USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=16 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 74 SER OG : rot 180:sc= 0.26 USER MOD Set 1.2: A 75 ASN : amide:sc= 0.27 K(o=0.53,f=0) USER MOD Set 2.1: A 31 CYS SG : rot 30:sc= 1.01 USER MOD Set 2.2: A 52 SER OG : rot 160:sc= 0.644 USER MOD Set 2.3: A 54 SER OG : rot -134:sc= 0.637 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -136:sc= -0.0833 (180deg=-0.556) USER MOD Single : A 22 SER OG : rot 1:sc= 0.825! 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 43:sc= 0.0212 USER MOD Single : A 39 GLN : amide:sc=-0.000964 X(o=-0.00096,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= -0.64 USER MOD Single : A 47 HIS : no HD1:sc= -2.38! C(o=-2.4!,f=-4.5!) USER MOD Single : A 64 GLN : amide:sc= -4.7! C(o=-4.7!,f=-6.2!) USER MOD Single : A 69 ASN :FLIP amide:sc= -4.79! C(o=-5.4!,f=-4.8!) USER MOD Single : A 78 HIS : no HD1:sc= -0.538 K(o=-0.54,f=-1.4) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc=-0.00387 X(o=-0.0039,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0.0233 USER MOD Single : A 90 SER OG : rot 180:sc= 0.00665 USER MOD Single : A 92 THR OG1 : rot -81:sc= 1.41 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 187 N GLU A 16 -4.804 -5.184 -13.779 1.00 0.00 N ATOM 188 CA GLU A 16 -3.449 -4.859 -13.367 1.00 0.00 C ATOM 189 C GLU A 16 -3.108 -3.417 -13.750 1.00 0.00 C ATOM 190 O GLU A 16 -2.599 -3.164 -14.840 1.00 0.00 O ATOM 191 CB GLU A 16 -2.442 -5.839 -13.973 1.00 0.00 C ATOM 192 CG GLU A 16 -2.302 -7.090 -13.103 1.00 0.00 C ATOM 193 CD GLU A 16 -1.608 -8.217 -13.870 1.00 0.00 C ATOM 194 OE1 GLU A 16 -0.597 -7.911 -14.538 1.00 0.00 O ATOM 195 OE2 GLU A 16 -2.105 -9.360 -13.771 1.00 0.00 O ATOM 0 HA GLU A 16 -3.389 -4.950 -12.282 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.763 -6.123 -14.975 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.472 -5.352 -14.075 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.731 -6.851 -12.206 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.287 -7.421 -12.775 1.00 0.00 H new ATOM 202 N LYS A 17 -3.404 -2.510 -12.831 1.00 0.00 N ATOM 203 CA LYS A 17 -3.136 -1.100 -13.058 1.00 0.00 C ATOM 204 C LYS A 17 -2.053 -0.628 -12.086 1.00 0.00 C ATOM 205 O LYS A 17 -2.038 -1.032 -10.924 1.00 0.00 O ATOM 206 CB LYS A 17 -4.430 -0.288 -12.977 1.00 0.00 C ATOM 207 CG LYS A 17 -4.924 -0.187 -11.532 1.00 0.00 C ATOM 208 CD LYS A 17 -5.814 1.043 -11.342 1.00 0.00 C ATOM 209 CE LYS A 17 -7.245 0.635 -10.985 1.00 0.00 C ATOM 210 NZ LYS A 17 -8.221 1.445 -11.746 1.00 0.00 N ATOM 0 H LYS A 17 -3.827 -2.724 -11.928 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.751 -0.944 -14.066 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.262 0.711 -13.379 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -5.196 -0.755 -13.595 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.480 -1.087 -11.270 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.071 -0.131 -10.855 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.405 1.674 -10.553 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.819 1.637 -12.256 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.393 -0.423 -11.203 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -7.410 0.766 -9.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -9.187 1.155 -11.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -8.090 2.451 -11.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -8.073 1.299 -12.765 1.00 0.00 H new ATOM 224 N LYS A 18 -1.172 0.219 -12.597 1.00 0.00 N ATOM 225 CA LYS A 18 -0.087 0.750 -11.789 1.00 0.00 C ATOM 226 C LYS A 18 -0.534 2.062 -11.143 1.00 0.00 C ATOM 227 O LYS A 18 -0.930 2.997 -11.837 1.00 0.00 O ATOM 228 CB LYS A 18 1.189 0.878 -12.623 1.00 0.00 C ATOM 229 CG LYS A 18 2.380 1.272 -11.746 1.00 0.00 C ATOM 230 CD LYS A 18 3.248 2.323 -12.440 1.00 0.00 C ATOM 231 CE LYS A 18 3.896 1.752 -13.703 1.00 0.00 C ATOM 232 NZ LYS A 18 4.749 0.590 -13.367 1.00 0.00 N ATOM 0 H LYS A 18 -1.187 0.551 -13.561 1.00 0.00 H new ATOM 0 HA LYS A 18 0.157 0.062 -10.979 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.398 -0.068 -13.122 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.044 1.625 -13.403 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.021 1.663 -10.794 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.980 0.390 -11.523 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.639 3.189 -12.699 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.022 2.671 -11.755 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.124 1.451 -14.411 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.494 2.521 -14.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.649 0.659 -13.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 4.937 0.582 -12.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.261 -0.288 -13.637 1.00 0.00 H new ATOM 246 N VAL A 19 -0.455 2.091 -9.820 1.00 0.00 N ATOM 247 CA VAL A 19 -0.846 3.274 -9.073 1.00 0.00 C ATOM 248 C VAL A 19 0.342 3.764 -8.243 1.00 0.00 C ATOM 249 O VAL A 19 0.820 3.056 -7.357 1.00 0.00 O ATOM 250 CB VAL A 19 -2.083 2.971 -8.224 1.00 0.00 C ATOM 251 CG1 VAL A 19 -3.366 3.189 -9.027 1.00 0.00 C ATOM 252 CG2 VAL A 19 -2.025 1.550 -7.658 1.00 0.00 C ATOM 0 H VAL A 19 -0.126 1.314 -9.247 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.123 4.080 -9.752 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.091 3.666 -7.384 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -4.230 2.967 -8.400 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.416 4.226 -9.359 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.368 2.530 -9.895 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.916 1.360 -7.059 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.980 0.833 -8.478 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.138 1.443 -7.034 1.00 0.00 H new ATOM 262 N PHE A 20 0.786 4.971 -8.561 1.00 0.00 N ATOM 263 CA PHE A 20 1.910 5.564 -7.856 1.00 0.00 C ATOM 264 C PHE A 20 1.430 6.453 -6.707 1.00 0.00 C ATOM 265 O PHE A 20 0.779 7.472 -6.936 1.00 0.00 O ATOM 266 CB PHE A 20 2.669 6.425 -8.868 1.00 0.00 C ATOM 267 CG PHE A 20 4.191 6.303 -8.771 1.00 0.00 C ATOM 268 CD1 PHE A 20 4.840 6.747 -7.661 1.00 0.00 C ATOM 269 CD2 PHE A 20 4.896 5.750 -9.795 1.00 0.00 C ATOM 270 CE1 PHE A 20 6.252 6.633 -7.571 1.00 0.00 C ATOM 271 CE2 PHE A 20 6.308 5.637 -9.705 1.00 0.00 C ATOM 272 CZ PHE A 20 6.957 6.081 -8.595 1.00 0.00 C ATOM 0 H PHE A 20 0.388 5.554 -9.297 1.00 0.00 H new ATOM 0 HA PHE A 20 2.540 4.780 -7.435 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.356 6.146 -9.874 1.00 0.00 H new ATOM 0 HB3 PHE A 20 2.389 7.468 -8.725 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.281 7.186 -6.848 1.00 0.00 H new ATOM 0 HD2 PHE A 20 4.381 5.397 -10.676 1.00 0.00 H new ATOM 0 HE1 PHE A 20 6.767 6.985 -6.689 1.00 0.00 H new ATOM 0 HE2 PHE A 20 6.867 5.198 -10.518 1.00 0.00 H new ATOM 0 HZ PHE A 20 8.031 5.995 -8.527 1.00 0.00 H new ATOM 282 N ILE A 21 1.769 6.036 -5.497 1.00 0.00 N ATOM 283 CA ILE A 21 1.381 6.782 -4.312 1.00 0.00 C ATOM 284 C ILE A 21 2.618 7.445 -3.703 1.00 0.00 C ATOM 285 O ILE A 21 3.491 6.765 -3.166 1.00 0.00 O ATOM 286 CB ILE A 21 0.624 5.880 -3.335 1.00 0.00 C ATOM 287 CG1 ILE A 21 -0.636 5.305 -3.985 1.00 0.00 C ATOM 288 CG2 ILE A 21 0.310 6.622 -2.034 1.00 0.00 C ATOM 289 CD1 ILE A 21 -1.724 6.373 -4.112 1.00 0.00 C ATOM 0 H ILE A 21 2.308 5.191 -5.311 1.00 0.00 H new ATOM 0 HA ILE A 21 0.688 7.581 -4.576 1.00 0.00 H new ATOM 0 HB ILE A 21 1.267 5.038 -3.078 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.393 4.910 -4.971 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -1.008 4.471 -3.390 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.228 5.958 -1.357 1.00 0.00 H new ATOM 0 HG22 ILE A 21 1.240 6.943 -1.564 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.306 7.495 -2.252 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -2.609 5.938 -4.577 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.982 6.749 -3.122 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.357 7.194 -4.728 1.00 0.00 H new ATOM 301 N SER A 22 2.655 8.766 -3.808 1.00 0.00 N ATOM 302 CA SER A 22 3.771 9.528 -3.275 1.00 0.00 C ATOM 303 C SER A 22 3.308 10.368 -2.082 1.00 0.00 C ATOM 304 O SER A 22 2.412 11.200 -2.215 1.00 0.00 O ATOM 305 CB SER A 22 4.388 10.426 -4.349 1.00 0.00 C ATOM 306 OG SER A 22 3.681 11.656 -4.487 1.00 0.00 O ATOM 0 H SER A 22 1.930 9.327 -4.254 1.00 0.00 H new ATOM 0 HA SER A 22 4.537 8.827 -2.943 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.428 10.632 -4.096 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.391 9.900 -5.304 1.00 0.00 H new ATOM 0 HG SER A 22 2.937 11.679 -3.849 1.00 0.00 H new ATOM 312 N LEU A 23 3.941 10.121 -0.945 1.00 0.00 N ATOM 313 CA LEU A 23 3.606 10.844 0.270 1.00 0.00 C ATOM 314 C LEU A 23 4.346 12.183 0.282 1.00 0.00 C ATOM 315 O LEU A 23 5.061 12.493 1.234 1.00 0.00 O ATOM 316 CB LEU A 23 3.880 9.979 1.502 1.00 0.00 C ATOM 317 CG LEU A 23 2.889 8.842 1.756 1.00 0.00 C ATOM 318 CD1 LEU A 23 1.540 9.385 2.231 1.00 0.00 C ATOM 319 CD2 LEU A 23 2.745 7.953 0.519 1.00 0.00 C ATOM 0 H LEU A 23 4.684 9.430 -0.839 1.00 0.00 H new ATOM 0 HA LEU A 23 2.540 11.068 0.298 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.878 9.550 1.406 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.894 10.625 2.380 1.00 0.00 H new ATOM 0 HG LEU A 23 3.285 8.218 2.557 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.854 8.555 2.404 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.678 9.941 3.158 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.125 10.046 1.470 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.035 7.153 0.727 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.384 8.550 -0.318 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.714 7.522 0.266 1.00 0.00 H new ATOM 415 N GLY A 30 -5.034 7.856 2.619 1.00 0.00 N ATOM 416 CA GLY A 30 -6.335 7.917 3.263 1.00 0.00 C ATOM 417 C GLY A 30 -7.165 6.674 2.941 1.00 0.00 C ATOM 418 O GLY A 30 -8.394 6.731 2.921 1.00 0.00 O ATOM 0 HA2 GLY A 30 -6.207 8.004 4.342 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.867 8.809 2.933 1.00 0.00 H new ATOM 422 N CYS A 31 -6.461 5.578 2.696 1.00 0.00 N ATOM 423 CA CYS A 31 -7.118 4.322 2.376 1.00 0.00 C ATOM 424 C CYS A 31 -6.692 3.279 3.410 1.00 0.00 C ATOM 425 O CYS A 31 -5.531 3.240 3.814 1.00 0.00 O ATOM 426 CB CYS A 31 -6.808 3.870 0.947 1.00 0.00 C ATOM 427 SG CYS A 31 -4.999 3.862 0.673 1.00 0.00 S ATOM 0 H CYS A 31 -5.442 5.534 2.713 1.00 0.00 H new ATOM 0 HA CYS A 31 -8.199 4.453 2.419 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -7.215 2.873 0.776 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -7.290 4.538 0.233 1.00 0.00 H new ATOM 0 HG CYS A 31 -4.391 3.613 1.795 1.00 0.00 H new ATOM 433 N SER A 32 -7.654 2.460 3.809 1.00 0.00 N ATOM 434 CA SER A 32 -7.392 1.420 4.789 1.00 0.00 C ATOM 435 C SER A 32 -7.080 0.100 4.080 1.00 0.00 C ATOM 436 O SER A 32 -7.688 -0.219 3.060 1.00 0.00 O ATOM 437 CB SER A 32 -8.579 1.245 5.738 1.00 0.00 C ATOM 438 OG SER A 32 -8.183 1.302 7.105 1.00 0.00 O ATOM 0 H SER A 32 -8.616 2.496 3.471 1.00 0.00 H new ATOM 0 HA SER A 32 -6.528 1.720 5.383 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.317 2.022 5.542 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.063 0.289 5.540 1.00 0.00 H new ATOM 0 HG SER A 32 -8.969 1.188 7.678 1.00 0.00 H new ATOM 444 N ILE A 33 -6.134 -0.632 4.650 1.00 0.00 N ATOM 445 CA ILE A 33 -5.734 -1.909 4.086 1.00 0.00 C ATOM 446 C ILE A 33 -6.038 -3.023 5.090 1.00 0.00 C ATOM 447 O ILE A 33 -5.932 -2.820 6.298 1.00 0.00 O ATOM 448 CB ILE A 33 -4.271 -1.865 3.641 1.00 0.00 C ATOM 449 CG1 ILE A 33 -3.351 -1.529 4.817 1.00 0.00 C ATOM 450 CG2 ILE A 33 -4.083 -0.897 2.471 1.00 0.00 C ATOM 451 CD1 ILE A 33 -1.955 -2.118 4.606 1.00 0.00 C ATOM 0 H ILE A 33 -5.633 -0.364 5.497 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.310 -2.124 3.186 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.991 -2.857 3.286 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.280 -0.447 4.930 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.778 -1.919 5.741 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.034 -0.884 2.174 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.695 -1.221 1.629 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -4.386 0.105 2.775 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.321 -1.865 5.456 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.027 -3.202 4.517 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.521 -1.707 3.694 1.00 0.00 H new ATOM 463 N SER A 34 -6.410 -4.176 4.552 1.00 0.00 N ATOM 464 CA SER A 34 -6.730 -5.322 5.386 1.00 0.00 C ATOM 465 C SER A 34 -5.990 -6.561 4.879 1.00 0.00 C ATOM 466 O SER A 34 -5.408 -6.541 3.796 1.00 0.00 O ATOM 467 CB SER A 34 -8.238 -5.578 5.414 1.00 0.00 C ATOM 468 OG SER A 34 -8.685 -5.999 6.700 1.00 0.00 O ATOM 0 H SER A 34 -6.497 -4.341 3.549 1.00 0.00 H new ATOM 0 HA SER A 34 -6.407 -5.105 6.404 1.00 0.00 H new ATOM 0 HB2 SER A 34 -8.765 -4.668 5.127 1.00 0.00 H new ATOM 0 HB3 SER A 34 -8.490 -6.339 4.676 1.00 0.00 H new ATOM 0 HG SER A 34 -9.653 -6.150 6.677 1.00 0.00 H new ATOM 474 N SER A 35 -6.036 -7.610 5.687 1.00 0.00 N ATOM 475 CA SER A 35 -5.377 -8.856 5.333 1.00 0.00 C ATOM 476 C SER A 35 -6.418 -9.903 4.932 1.00 0.00 C ATOM 477 O SER A 35 -7.350 -10.178 5.686 1.00 0.00 O ATOM 478 CB SER A 35 -4.522 -9.374 6.491 1.00 0.00 C ATOM 479 OG SER A 35 -5.224 -9.339 7.731 1.00 0.00 O ATOM 0 H SER A 35 -6.519 -7.623 6.585 1.00 0.00 H new ATOM 0 HA SER A 35 -4.718 -8.666 4.486 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.208 -10.397 6.281 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.616 -8.773 6.570 1.00 0.00 H new ATOM 0 HG SER A 35 -6.140 -9.661 7.598 1.00 0.00 H new ATOM 485 N GLY A 36 -6.224 -10.459 3.745 1.00 0.00 N ATOM 486 CA GLY A 36 -7.134 -11.470 3.234 1.00 0.00 C ATOM 487 C GLY A 36 -6.986 -12.782 4.007 1.00 0.00 C ATOM 488 O GLY A 36 -6.080 -12.925 4.827 1.00 0.00 O ATOM 0 H GLY A 36 -5.450 -10.228 3.122 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.161 -11.112 3.311 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.935 -11.642 2.176 1.00 0.00 H new ATOM 492 N PRO A 37 -7.913 -13.732 3.710 1.00 0.00 N ATOM 493 CA PRO A 37 -7.894 -15.027 4.368 1.00 0.00 C ATOM 494 C PRO A 37 -6.769 -15.905 3.818 1.00 0.00 C ATOM 495 O PRO A 37 -5.941 -15.441 3.035 1.00 0.00 O ATOM 496 CB PRO A 37 -9.276 -15.612 4.125 1.00 0.00 C ATOM 497 CG PRO A 37 -9.858 -14.835 2.955 1.00 0.00 C ATOM 498 CD PRO A 37 -9.000 -13.598 2.745 1.00 0.00 C ATOM 0 HA PRO A 37 -7.689 -14.953 5.436 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.215 -16.676 3.896 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.903 -15.512 5.011 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -9.868 -15.450 2.055 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -10.891 -14.553 3.160 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -8.620 -13.549 1.725 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -9.572 -12.686 2.917 1.00 0.00 H new ATOM 506 N ILE A 38 -6.774 -17.158 4.248 1.00 0.00 N ATOM 507 CA ILE A 38 -5.764 -18.105 3.808 1.00 0.00 C ATOM 508 C ILE A 38 -6.028 -18.486 2.350 1.00 0.00 C ATOM 509 O ILE A 38 -5.097 -18.793 1.607 1.00 0.00 O ATOM 510 CB ILE A 38 -5.705 -19.305 4.756 1.00 0.00 C ATOM 511 CG1 ILE A 38 -4.732 -20.366 4.238 1.00 0.00 C ATOM 512 CG2 ILE A 38 -7.102 -19.879 5.002 1.00 0.00 C ATOM 513 CD1 ILE A 38 -3.400 -20.302 4.989 1.00 0.00 C ATOM 0 H ILE A 38 -7.462 -17.540 4.897 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.774 -17.650 3.845 1.00 0.00 H new ATOM 0 HB ILE A 38 -5.324 -18.962 5.718 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -5.172 -21.356 4.355 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.560 -20.217 3.172 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -7.031 -20.730 5.679 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.737 -19.113 5.447 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -7.534 -20.203 4.055 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.727 -21.067 4.601 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.951 -19.319 4.850 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -3.573 -20.475 6.051 1.00 0.00 H new ATOM 525 N GLN A 39 -7.301 -18.453 1.985 1.00 0.00 N ATOM 526 CA GLN A 39 -7.699 -18.790 0.629 1.00 0.00 C ATOM 527 C GLN A 39 -7.413 -17.621 -0.315 1.00 0.00 C ATOM 528 O GLN A 39 -7.132 -17.826 -1.495 1.00 0.00 O ATOM 529 CB GLN A 39 -9.175 -19.189 0.575 1.00 0.00 C ATOM 530 CG GLN A 39 -10.078 -17.998 0.902 1.00 0.00 C ATOM 531 CD GLN A 39 -11.499 -18.461 1.229 1.00 0.00 C ATOM 532 OE1 GLN A 39 -12.242 -18.919 0.377 1.00 0.00 O ATOM 533 NE2 GLN A 39 -11.835 -18.316 2.508 1.00 0.00 N ATOM 0 H GLN A 39 -8.070 -18.198 2.605 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.111 -19.648 0.301 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -9.416 -19.571 -0.417 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -9.363 -19.997 1.282 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -9.667 -17.447 1.748 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -10.101 -17.311 0.056 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -11.165 -17.925 3.170 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -12.763 -18.596 2.826 1.00 0.00 H new ATOM 542 N LYS A 40 -7.493 -16.421 0.239 1.00 0.00 N ATOM 543 CA LYS A 40 -7.246 -15.219 -0.539 1.00 0.00 C ATOM 544 C LYS A 40 -6.379 -14.258 0.277 1.00 0.00 C ATOM 545 O LYS A 40 -6.803 -13.147 0.591 1.00 0.00 O ATOM 546 CB LYS A 40 -8.565 -14.605 -1.012 1.00 0.00 C ATOM 547 CG LYS A 40 -8.350 -13.724 -2.243 1.00 0.00 C ATOM 548 CD LYS A 40 -9.659 -13.523 -3.010 1.00 0.00 C ATOM 549 CE LYS A 40 -9.569 -12.313 -3.941 1.00 0.00 C ATOM 550 NZ LYS A 40 -9.855 -12.711 -5.338 1.00 0.00 N ATOM 0 H LYS A 40 -7.726 -16.255 1.218 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.691 -15.460 -1.445 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.275 -15.398 -1.247 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.003 -14.013 -0.209 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.952 -12.757 -1.937 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.608 -14.182 -2.897 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.885 -14.417 -3.591 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -10.479 -13.384 -2.306 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.277 -11.548 -3.622 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.574 -11.872 -3.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.790 -11.878 -5.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.163 -13.425 -5.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.813 -13.111 -5.396 1.00 0.00 H new ATOM 564 N PRO A 41 -5.147 -14.733 0.606 1.00 0.00 N ATOM 565 CA PRO A 41 -4.217 -13.929 1.380 1.00 0.00 C ATOM 566 C PRO A 41 -3.599 -12.825 0.518 1.00 0.00 C ATOM 567 O PRO A 41 -3.367 -13.020 -0.674 1.00 0.00 O ATOM 568 CB PRO A 41 -3.189 -14.916 1.908 1.00 0.00 C ATOM 569 CG PRO A 41 -3.314 -16.155 1.037 1.00 0.00 C ATOM 570 CD PRO A 41 -4.611 -16.044 0.252 1.00 0.00 C ATOM 0 HA PRO A 41 -4.700 -13.400 2.202 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.183 -14.499 1.852 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -3.378 -15.154 2.955 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -2.463 -16.233 0.360 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -3.316 -17.055 1.652 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.433 -16.123 -0.820 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -5.305 -16.841 0.519 1.00 0.00 H new ATOM 578 N GLY A 42 -3.348 -11.691 1.156 1.00 0.00 N ATOM 579 CA GLY A 42 -2.762 -10.557 0.463 1.00 0.00 C ATOM 580 C GLY A 42 -3.125 -9.243 1.157 1.00 0.00 C ATOM 581 O GLY A 42 -3.469 -9.234 2.338 1.00 0.00 O ATOM 0 H GLY A 42 -3.540 -11.534 2.145 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.678 -10.667 0.429 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.112 -10.536 -0.569 1.00 0.00 H new ATOM 585 N ILE A 43 -3.037 -8.163 0.393 1.00 0.00 N ATOM 586 CA ILE A 43 -3.352 -6.846 0.920 1.00 0.00 C ATOM 587 C ILE A 43 -4.446 -6.207 0.062 1.00 0.00 C ATOM 588 O ILE A 43 -4.196 -5.815 -1.077 1.00 0.00 O ATOM 589 CB ILE A 43 -2.084 -5.997 1.033 1.00 0.00 C ATOM 590 CG1 ILE A 43 -1.025 -6.704 1.882 1.00 0.00 C ATOM 591 CG2 ILE A 43 -2.407 -4.600 1.566 1.00 0.00 C ATOM 592 CD1 ILE A 43 -1.365 -6.612 3.371 1.00 0.00 C ATOM 0 H ILE A 43 -2.752 -8.174 -0.586 1.00 0.00 H new ATOM 0 HA ILE A 43 -3.746 -6.925 1.933 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.665 -5.872 0.034 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.955 -7.751 1.585 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.049 -6.255 1.700 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.489 -4.016 1.637 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.101 -4.103 0.888 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.861 -4.683 2.553 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.597 -7.122 3.952 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.410 -5.565 3.670 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.331 -7.083 3.553 1.00 0.00 H new ATOM 604 N PHE A 44 -5.634 -6.123 0.641 1.00 0.00 N ATOM 605 CA PHE A 44 -6.767 -5.538 -0.056 1.00 0.00 C ATOM 606 C PHE A 44 -7.284 -4.300 0.680 1.00 0.00 C ATOM 607 O PHE A 44 -7.358 -4.288 1.907 1.00 0.00 O ATOM 608 CB PHE A 44 -7.870 -6.597 -0.084 1.00 0.00 C ATOM 609 CG PHE A 44 -7.412 -7.959 -0.611 1.00 0.00 C ATOM 610 CD1 PHE A 44 -6.524 -8.700 0.104 1.00 0.00 C ATOM 611 CD2 PHE A 44 -7.893 -8.428 -1.793 1.00 0.00 C ATOM 612 CE1 PHE A 44 -6.099 -9.964 -0.384 1.00 0.00 C ATOM 613 CE2 PHE A 44 -7.468 -9.691 -2.282 1.00 0.00 C ATOM 614 CZ PHE A 44 -6.579 -10.433 -1.567 1.00 0.00 C ATOM 0 H PHE A 44 -5.837 -6.450 1.585 1.00 0.00 H new ATOM 0 HA PHE A 44 -6.469 -5.233 -1.059 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -8.264 -6.723 0.924 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -8.690 -6.236 -0.704 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -6.142 -8.327 1.043 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -8.599 -7.839 -2.360 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -5.394 -10.553 0.184 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -7.850 -10.063 -3.221 1.00 0.00 H new ATOM 0 HZ PHE A 44 -6.255 -11.394 -1.939 1.00 0.00 H new ATOM 624 N ILE A 45 -7.628 -3.287 -0.102 1.00 0.00 N ATOM 625 CA ILE A 45 -8.136 -2.047 0.459 1.00 0.00 C ATOM 626 C ILE A 45 -9.506 -2.302 1.092 1.00 0.00 C ATOM 627 O ILE A 45 -10.309 -3.063 0.555 1.00 0.00 O ATOM 628 CB ILE A 45 -8.144 -0.943 -0.600 1.00 0.00 C ATOM 629 CG1 ILE A 45 -6.729 -0.419 -0.856 1.00 0.00 C ATOM 630 CG2 ILE A 45 -9.109 0.180 -0.214 1.00 0.00 C ATOM 631 CD1 ILE A 45 -6.745 0.736 -1.860 1.00 0.00 C ATOM 0 H ILE A 45 -7.565 -3.300 -1.120 1.00 0.00 H new ATOM 0 HA ILE A 45 -7.479 -1.691 1.252 1.00 0.00 H new ATOM 0 HB ILE A 45 -8.504 -1.370 -1.536 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.286 -0.084 0.082 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.101 -1.226 -1.235 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -9.096 0.952 -0.984 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -10.118 -0.223 -0.122 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -8.802 0.612 0.739 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.727 1.090 -2.024 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -7.166 0.391 -2.804 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -7.353 1.551 -1.468 1.00 0.00 H new ATOM 643 N SER A 46 -9.730 -1.650 2.223 1.00 0.00 N ATOM 644 CA SER A 46 -10.989 -1.797 2.934 1.00 0.00 C ATOM 645 C SER A 46 -11.847 -0.545 2.743 1.00 0.00 C ATOM 646 O SER A 46 -13.067 -0.637 2.620 1.00 0.00 O ATOM 647 CB SER A 46 -10.753 -2.056 4.424 1.00 0.00 C ATOM 648 OG SER A 46 -11.005 -0.897 5.214 1.00 0.00 O ATOM 0 H SER A 46 -9.062 -1.019 2.665 1.00 0.00 H new ATOM 0 HA SER A 46 -11.516 -2.658 2.522 1.00 0.00 H new ATOM 0 HB2 SER A 46 -11.398 -2.869 4.757 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.724 -2.382 4.577 1.00 0.00 H new ATOM 0 HG SER A 46 -10.845 -1.104 6.158 1.00 0.00 H new ATOM 654 N HIS A 47 -11.175 0.597 2.723 1.00 0.00 N ATOM 655 CA HIS A 47 -11.861 1.866 2.548 1.00 0.00 C ATOM 656 C HIS A 47 -10.911 2.878 1.905 1.00 0.00 C ATOM 657 O HIS A 47 -9.701 2.660 1.863 1.00 0.00 O ATOM 658 CB HIS A 47 -12.441 2.357 3.875 1.00 0.00 C ATOM 659 CG HIS A 47 -13.223 3.645 3.765 1.00 0.00 C ATOM 660 ND1 HIS A 47 -12.616 4.884 3.667 1.00 0.00 N ATOM 661 CD2 HIS A 47 -14.568 3.871 3.738 1.00 0.00 C ATOM 662 CE1 HIS A 47 -13.563 5.808 3.585 1.00 0.00 C ATOM 663 NE2 HIS A 47 -14.771 5.178 3.630 1.00 0.00 N ATOM 0 H HIS A 47 -10.163 0.670 2.825 1.00 0.00 H new ATOM 0 HA HIS A 47 -12.708 1.736 1.874 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -13.091 1.583 4.284 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -11.627 2.498 4.586 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -15.337 3.115 3.795 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -13.405 6.873 3.498 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -15.681 5.636 3.588 1.00 0.00 H new ATOM 671 N VAL A 48 -11.495 3.964 1.420 1.00 0.00 N ATOM 672 CA VAL A 48 -10.716 5.011 0.781 1.00 0.00 C ATOM 673 C VAL A 48 -11.352 6.370 1.081 1.00 0.00 C ATOM 674 O VAL A 48 -12.538 6.574 0.824 1.00 0.00 O ATOM 675 CB VAL A 48 -10.589 4.728 -0.718 1.00 0.00 C ATOM 676 CG1 VAL A 48 -9.888 5.884 -1.436 1.00 0.00 C ATOM 677 CG2 VAL A 48 -9.860 3.406 -0.966 1.00 0.00 C ATOM 0 H VAL A 48 -12.499 4.141 1.457 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.702 5.031 1.182 1.00 0.00 H new ATOM 0 HB VAL A 48 -11.595 4.638 -1.129 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -9.810 5.658 -2.500 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -10.464 6.799 -1.301 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -8.890 6.019 -1.020 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -9.783 3.229 -2.039 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -8.861 3.455 -0.534 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -10.416 2.591 -0.502 1.00 0.00 H new ATOM 730 N SER A 52 -8.465 11.510 -1.108 1.00 0.00 N ATOM 731 CA SER A 52 -7.277 10.989 -0.453 1.00 0.00 C ATOM 732 C SER A 52 -6.118 10.922 -1.449 1.00 0.00 C ATOM 733 O SER A 52 -6.174 11.533 -2.515 1.00 0.00 O ATOM 734 CB SER A 52 -7.542 9.607 0.148 1.00 0.00 C ATOM 735 OG SER A 52 -7.696 8.609 -0.857 1.00 0.00 O ATOM 0 HA SER A 52 -7.010 11.664 0.360 1.00 0.00 H new ATOM 0 HB2 SER A 52 -6.718 9.334 0.807 1.00 0.00 H new ATOM 0 HB3 SER A 52 -8.442 9.645 0.762 1.00 0.00 H new ATOM 0 HG SER A 52 -7.543 7.724 -0.465 1.00 0.00 H new ATOM 741 N LEU A 53 -5.093 10.174 -1.066 1.00 0.00 N ATOM 742 CA LEU A 53 -3.922 10.019 -1.911 1.00 0.00 C ATOM 743 C LEU A 53 -4.123 8.819 -2.839 1.00 0.00 C ATOM 744 O LEU A 53 -3.428 8.683 -3.844 1.00 0.00 O ATOM 745 CB LEU A 53 -2.654 9.932 -1.060 1.00 0.00 C ATOM 746 CG LEU A 53 -1.335 9.835 -1.829 1.00 0.00 C ATOM 747 CD1 LEU A 53 -1.153 11.035 -2.760 1.00 0.00 C ATOM 748 CD2 LEU A 53 -0.153 9.668 -0.872 1.00 0.00 C ATOM 0 H LEU A 53 -5.050 9.669 -0.181 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.792 10.896 -2.546 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.612 10.810 -0.415 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.737 9.062 -0.409 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.370 8.944 -2.456 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.208 10.941 -3.294 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.973 11.067 -3.477 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.148 11.953 -2.173 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.772 9.602 -1.445 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.104 10.526 -0.201 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.284 8.757 -0.287 1.00 0.00 H new ATOM 760 N SER A 54 -5.078 7.978 -2.468 1.00 0.00 N ATOM 761 CA SER A 54 -5.380 6.794 -3.254 1.00 0.00 C ATOM 762 C SER A 54 -6.534 7.085 -4.216 1.00 0.00 C ATOM 763 O SER A 54 -6.526 6.625 -5.357 1.00 0.00 O ATOM 764 CB SER A 54 -5.727 5.608 -2.352 1.00 0.00 C ATOM 765 OG SER A 54 -5.783 5.981 -0.978 1.00 0.00 O ATOM 0 H SER A 54 -5.653 8.094 -1.633 1.00 0.00 H new ATOM 0 HA SER A 54 -4.493 6.530 -3.830 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.688 5.192 -2.654 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.983 4.822 -2.484 1.00 0.00 H new ATOM 0 HG SER A 54 -5.302 5.318 -0.439 1.00 0.00 H new ATOM 771 N ALA A 55 -7.498 7.846 -3.720 1.00 0.00 N ATOM 772 CA ALA A 55 -8.656 8.203 -4.522 1.00 0.00 C ATOM 773 C ALA A 55 -8.202 9.030 -5.727 1.00 0.00 C ATOM 774 O ALA A 55 -8.825 8.983 -6.786 1.00 0.00 O ATOM 775 CB ALA A 55 -9.669 8.950 -3.651 1.00 0.00 C ATOM 0 H ALA A 55 -7.501 8.225 -2.773 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.149 7.309 -4.903 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -10.538 9.218 -4.252 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.982 8.310 -2.826 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.210 9.855 -3.254 1.00 0.00 H new ATOM 781 N GLU A 56 -7.120 9.767 -5.524 1.00 0.00 N ATOM 782 CA GLU A 56 -6.576 10.602 -6.581 1.00 0.00 C ATOM 783 C GLU A 56 -6.057 9.735 -7.730 1.00 0.00 C ATOM 784 O GLU A 56 -6.127 10.131 -8.892 1.00 0.00 O ATOM 785 CB GLU A 56 -5.473 11.517 -6.044 1.00 0.00 C ATOM 786 CG GLU A 56 -4.368 10.703 -5.367 1.00 0.00 C ATOM 787 CD GLU A 56 -3.001 11.363 -5.566 1.00 0.00 C ATOM 788 OE1 GLU A 56 -2.935 12.597 -5.378 1.00 0.00 O ATOM 789 OE2 GLU A 56 -2.055 10.619 -5.901 1.00 0.00 O ATOM 0 H GLU A 56 -6.606 9.803 -4.644 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.376 11.236 -6.963 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.050 12.102 -6.861 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.897 12.225 -5.332 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.580 10.611 -4.302 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.352 9.693 -5.777 1.00 0.00 H new ATOM 796 N VAL A 57 -5.549 8.567 -7.364 1.00 0.00 N ATOM 797 CA VAL A 57 -5.019 7.640 -8.350 1.00 0.00 C ATOM 798 C VAL A 57 -6.165 6.804 -8.925 1.00 0.00 C ATOM 799 O VAL A 57 -6.043 6.244 -10.013 1.00 0.00 O ATOM 800 CB VAL A 57 -3.913 6.788 -7.725 1.00 0.00 C ATOM 801 CG1 VAL A 57 -2.876 7.666 -7.022 1.00 0.00 C ATOM 802 CG2 VAL A 57 -4.496 5.751 -6.763 1.00 0.00 C ATOM 0 H VAL A 57 -5.493 8.242 -6.399 1.00 0.00 H new ATOM 0 HA VAL A 57 -4.564 8.182 -9.179 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.409 6.252 -8.529 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.101 7.036 -6.586 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.426 8.347 -7.744 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.361 8.242 -6.234 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.688 5.159 -6.333 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.038 6.259 -5.965 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.178 5.095 -7.304 1.00 0.00 H new ATOM 812 N GLY A 58 -7.251 6.747 -8.168 1.00 0.00 N ATOM 813 CA GLY A 58 -8.417 5.989 -8.589 1.00 0.00 C ATOM 814 C GLY A 58 -8.538 4.685 -7.799 1.00 0.00 C ATOM 815 O GLY A 58 -9.204 3.749 -8.238 1.00 0.00 O ATOM 0 H GLY A 58 -7.348 7.213 -7.266 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -9.316 6.589 -8.447 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.346 5.768 -9.654 1.00 0.00 H new ATOM 819 N LEU A 59 -7.883 4.665 -6.647 1.00 0.00 N ATOM 820 CA LEU A 59 -7.909 3.491 -5.792 1.00 0.00 C ATOM 821 C LEU A 59 -9.292 3.363 -5.151 1.00 0.00 C ATOM 822 O LEU A 59 -9.883 4.358 -4.737 1.00 0.00 O ATOM 823 CB LEU A 59 -6.764 3.542 -4.778 1.00 0.00 C ATOM 824 CG LEU A 59 -5.459 2.867 -5.206 1.00 0.00 C ATOM 825 CD1 LEU A 59 -4.401 2.971 -4.105 1.00 0.00 C ATOM 826 CD2 LEU A 59 -5.704 1.418 -5.630 1.00 0.00 C ATOM 0 H LEU A 59 -7.331 5.443 -6.286 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.745 2.588 -6.380 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.552 4.587 -4.551 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.104 3.077 -3.852 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.071 3.396 -6.077 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.484 2.483 -4.435 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.198 4.021 -3.893 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.767 2.483 -3.202 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.760 0.962 -5.929 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.127 0.861 -4.794 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.399 1.397 -6.469 1.00 0.00 H new ATOM 838 N GLU A 60 -9.768 2.128 -5.090 1.00 0.00 N ATOM 839 CA GLU A 60 -11.071 1.856 -4.507 1.00 0.00 C ATOM 840 C GLU A 60 -11.057 0.509 -3.781 1.00 0.00 C ATOM 841 O GLU A 60 -10.079 -0.233 -3.860 1.00 0.00 O ATOM 842 CB GLU A 60 -12.167 1.893 -5.573 1.00 0.00 C ATOM 843 CG GLU A 60 -12.163 3.230 -6.317 1.00 0.00 C ATOM 844 CD GLU A 60 -13.357 3.331 -7.269 1.00 0.00 C ATOM 845 OE1 GLU A 60 -13.522 2.390 -8.075 1.00 0.00 O ATOM 846 OE2 GLU A 60 -14.078 4.348 -7.169 1.00 0.00 O ATOM 0 H GLU A 60 -9.275 1.304 -5.435 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.292 2.637 -3.779 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -12.018 1.078 -6.281 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -13.139 1.736 -5.106 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -12.195 4.050 -5.599 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.235 3.335 -6.879 1.00 0.00 H new ATOM 853 N ILE A 61 -12.154 0.233 -3.091 1.00 0.00 N ATOM 854 CA ILE A 61 -12.280 -1.012 -2.352 1.00 0.00 C ATOM 855 C ILE A 61 -12.204 -2.188 -3.327 1.00 0.00 C ATOM 856 O ILE A 61 -12.910 -2.211 -4.334 1.00 0.00 O ATOM 857 CB ILE A 61 -13.550 -1.002 -1.499 1.00 0.00 C ATOM 858 CG1 ILE A 61 -13.474 0.076 -0.416 1.00 0.00 C ATOM 859 CG2 ILE A 61 -13.826 -2.387 -0.911 1.00 0.00 C ATOM 860 CD1 ILE A 61 -14.872 0.552 -0.016 1.00 0.00 C ATOM 0 H ILE A 61 -12.964 0.850 -3.028 1.00 0.00 H new ATOM 0 HA ILE A 61 -11.453 -1.124 -1.651 1.00 0.00 H new ATOM 0 HB ILE A 61 -14.393 -0.752 -2.143 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -12.956 -0.318 0.458 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -12.889 0.921 -0.779 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -14.734 -2.352 -0.309 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -13.954 -3.107 -1.720 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -12.987 -2.690 -0.285 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -14.789 1.318 0.755 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -15.378 0.968 -0.887 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -15.447 -0.290 0.370 1.00 0.00 H new ATOM 872 N GLY A 62 -11.341 -3.137 -2.994 1.00 0.00 N ATOM 873 CA GLY A 62 -11.164 -4.314 -3.827 1.00 0.00 C ATOM 874 C GLY A 62 -9.767 -4.339 -4.450 1.00 0.00 C ATOM 875 O GLY A 62 -9.223 -5.409 -4.721 1.00 0.00 O ATOM 0 H GLY A 62 -10.757 -3.114 -2.158 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -11.316 -5.213 -3.230 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.918 -4.323 -4.614 1.00 0.00 H new ATOM 879 N ASP A 63 -9.225 -3.148 -4.658 1.00 0.00 N ATOM 880 CA ASP A 63 -7.901 -3.020 -5.244 1.00 0.00 C ATOM 881 C ASP A 63 -6.881 -3.721 -4.345 1.00 0.00 C ATOM 882 O ASP A 63 -6.415 -3.147 -3.362 1.00 0.00 O ATOM 883 CB ASP A 63 -7.493 -1.551 -5.366 1.00 0.00 C ATOM 884 CG ASP A 63 -8.366 -0.712 -6.302 1.00 0.00 C ATOM 885 OD1 ASP A 63 -9.468 -1.197 -6.635 1.00 0.00 O ATOM 886 OD2 ASP A 63 -7.910 0.394 -6.663 1.00 0.00 O ATOM 0 H ASP A 63 -9.678 -2.263 -4.431 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.926 -3.471 -6.236 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -7.513 -1.100 -4.374 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -6.462 -1.504 -5.716 1.00 0.00 H new ATOM 891 N GLN A 64 -6.563 -4.953 -4.714 1.00 0.00 N ATOM 892 CA GLN A 64 -5.606 -5.739 -3.954 1.00 0.00 C ATOM 893 C GLN A 64 -4.177 -5.383 -4.370 1.00 0.00 C ATOM 894 O GLN A 64 -3.865 -5.341 -5.559 1.00 0.00 O ATOM 895 CB GLN A 64 -5.869 -7.237 -4.123 1.00 0.00 C ATOM 896 CG GLN A 64 -4.753 -8.065 -3.483 1.00 0.00 C ATOM 897 CD GLN A 64 -4.893 -9.545 -3.843 1.00 0.00 C ATOM 898 OE1 GLN A 64 -5.743 -9.943 -4.623 1.00 0.00 O ATOM 899 NE2 GLN A 64 -4.015 -10.336 -3.233 1.00 0.00 N ATOM 0 H GLN A 64 -6.951 -5.426 -5.530 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.727 -5.499 -2.898 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.825 -7.496 -3.668 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.944 -7.479 -5.183 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.784 -7.696 -3.818 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.783 -7.946 -2.400 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -3.329 -9.938 -2.591 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -4.027 -11.341 -3.407 1.00 0.00 H new ATOM 908 N ILE A 65 -3.347 -5.136 -3.367 1.00 0.00 N ATOM 909 CA ILE A 65 -1.959 -4.785 -3.614 1.00 0.00 C ATOM 910 C ILE A 65 -1.155 -6.059 -3.884 1.00 0.00 C ATOM 911 O ILE A 65 -0.925 -6.856 -2.976 1.00 0.00 O ATOM 912 CB ILE A 65 -1.406 -3.942 -2.462 1.00 0.00 C ATOM 913 CG1 ILE A 65 -2.169 -2.622 -2.334 1.00 0.00 C ATOM 914 CG2 ILE A 65 0.100 -3.722 -2.617 1.00 0.00 C ATOM 915 CD1 ILE A 65 -1.988 -2.017 -0.940 1.00 0.00 C ATOM 0 H ILE A 65 -3.609 -5.172 -2.382 1.00 0.00 H new ATOM 0 HA ILE A 65 -1.877 -4.161 -4.504 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.556 -4.492 -1.533 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.816 -1.919 -3.088 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.229 -2.790 -2.527 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.467 -3.120 -1.786 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.610 -4.685 -2.621 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.297 -3.203 -3.555 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.540 -1.080 -0.876 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.365 -2.712 -0.190 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -0.930 -1.828 -0.760 1.00 0.00 H new ATOM 927 N VAL A 66 -0.751 -6.211 -5.137 1.00 0.00 N ATOM 928 CA VAL A 66 0.021 -7.374 -5.538 1.00 0.00 C ATOM 929 C VAL A 66 1.507 -7.010 -5.564 1.00 0.00 C ATOM 930 O VAL A 66 2.366 -7.882 -5.446 1.00 0.00 O ATOM 931 CB VAL A 66 -0.488 -7.903 -6.880 1.00 0.00 C ATOM 932 CG1 VAL A 66 -1.998 -8.146 -6.836 1.00 0.00 C ATOM 933 CG2 VAL A 66 -0.119 -6.953 -8.020 1.00 0.00 C ATOM 0 H VAL A 66 -0.944 -5.548 -5.887 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.104 -8.182 -4.817 1.00 0.00 H new ATOM 0 HB VAL A 66 0.000 -8.859 -7.070 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.334 -8.522 -7.802 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.226 -8.879 -6.062 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.511 -7.211 -6.612 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.493 -7.353 -8.962 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.566 -5.976 -7.838 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.965 -6.852 -8.073 1.00 0.00 H new ATOM 943 N GLU A 67 1.765 -5.719 -5.721 1.00 0.00 N ATOM 944 CA GLU A 67 3.132 -5.229 -5.765 1.00 0.00 C ATOM 945 C GLU A 67 3.188 -3.772 -5.300 1.00 0.00 C ATOM 946 O GLU A 67 2.207 -3.040 -5.421 1.00 0.00 O ATOM 947 CB GLU A 67 3.724 -5.381 -7.167 1.00 0.00 C ATOM 948 CG GLU A 67 5.065 -4.653 -7.278 1.00 0.00 C ATOM 949 CD GLU A 67 5.615 -4.731 -8.703 1.00 0.00 C ATOM 950 OE1 GLU A 67 5.615 -5.854 -9.250 1.00 0.00 O ATOM 951 OE2 GLU A 67 6.024 -3.665 -9.213 1.00 0.00 O ATOM 0 H GLU A 67 1.050 -4.998 -5.819 1.00 0.00 H new ATOM 0 HA GLU A 67 3.736 -5.830 -5.085 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.860 -6.438 -7.395 1.00 0.00 H new ATOM 0 HB3 GLU A 67 3.028 -4.982 -7.905 1.00 0.00 H new ATOM 0 HG2 GLU A 67 4.941 -3.609 -6.989 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.781 -5.093 -6.584 1.00 0.00 H new ATOM 958 N VAL A 68 4.346 -3.395 -4.780 1.00 0.00 N ATOM 959 CA VAL A 68 4.543 -2.039 -4.297 1.00 0.00 C ATOM 960 C VAL A 68 6.023 -1.669 -4.417 1.00 0.00 C ATOM 961 O VAL A 68 6.875 -2.292 -3.785 1.00 0.00 O ATOM 962 CB VAL A 68 4.009 -1.908 -2.869 1.00 0.00 C ATOM 963 CG1 VAL A 68 4.215 -0.490 -2.334 1.00 0.00 C ATOM 964 CG2 VAL A 68 2.535 -2.314 -2.796 1.00 0.00 C ATOM 0 H VAL A 68 5.158 -4.005 -4.682 1.00 0.00 H new ATOM 0 HA VAL A 68 3.980 -1.332 -4.906 1.00 0.00 H new ATOM 0 HB VAL A 68 4.576 -2.590 -2.235 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.827 -0.425 -1.318 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.279 -0.253 -2.332 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.686 0.219 -2.971 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.180 -2.212 -1.771 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.947 -1.669 -3.449 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.427 -3.350 -3.116 1.00 0.00 H new ATOM 974 N ASN A 69 6.283 -0.658 -5.232 1.00 0.00 N ATOM 975 CA ASN A 69 7.645 -0.198 -5.444 1.00 0.00 C ATOM 976 C ASN A 69 8.500 -1.362 -5.949 1.00 0.00 C ATOM 977 O ASN A 69 9.727 -1.312 -5.880 1.00 0.00 O ATOM 978 CB ASN A 69 8.263 0.311 -4.140 1.00 0.00 C ATOM 979 CG ASN A 69 8.925 1.676 -4.343 1.00 0.00 C ATOM 980 OD1 ASN A 69 9.243 2.296 -3.210 1.00 0.00 O flip ATOM 981 ND2 ASN A 69 9.132 2.135 -5.454 1.00 0.00 N flip ATOM 0 H ASN A 69 5.573 -0.144 -5.754 1.00 0.00 H new ATOM 0 HA ASN A 69 7.617 0.613 -6.172 1.00 0.00 H new ATOM 0 HB2 ASN A 69 7.492 0.387 -3.373 1.00 0.00 H new ATOM 0 HB3 ASN A 69 9.001 -0.405 -3.779 1.00 0.00 H new ATOM 0 HD21 ASN A 69 8.862 1.605 -6.283 1.00 0.00 H new ATOM 0 HD22 ASN A 69 9.575 3.048 -5.554 1.00 0.00 H new ATOM 988 N GLY A 70 7.817 -2.384 -6.445 1.00 0.00 N ATOM 989 CA GLY A 70 8.498 -3.559 -6.962 1.00 0.00 C ATOM 990 C GLY A 70 8.580 -4.656 -5.899 1.00 0.00 C ATOM 991 O GLY A 70 9.205 -5.693 -6.119 1.00 0.00 O ATOM 0 H GLY A 70 6.799 -2.422 -6.500 1.00 0.00 H new ATOM 0 HA2 GLY A 70 7.969 -3.935 -7.838 1.00 0.00 H new ATOM 0 HA3 GLY A 70 9.502 -3.288 -7.288 1.00 0.00 H new ATOM 995 N VAL A 71 7.941 -4.391 -4.769 1.00 0.00 N ATOM 996 CA VAL A 71 7.933 -5.343 -3.672 1.00 0.00 C ATOM 997 C VAL A 71 6.834 -6.380 -3.909 1.00 0.00 C ATOM 998 O VAL A 71 5.764 -6.050 -4.418 1.00 0.00 O ATOM 999 CB VAL A 71 7.782 -4.605 -2.340 1.00 0.00 C ATOM 1000 CG1 VAL A 71 7.792 -5.586 -1.166 1.00 0.00 C ATOM 1001 CG2 VAL A 71 8.869 -3.541 -2.176 1.00 0.00 C ATOM 0 H VAL A 71 7.425 -3.530 -4.590 1.00 0.00 H new ATOM 0 HA VAL A 71 8.881 -5.880 -3.626 1.00 0.00 H new ATOM 0 HB VAL A 71 6.817 -4.099 -2.345 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.683 -5.036 -0.231 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.965 -6.289 -1.272 1.00 0.00 H new ATOM 0 HG13 VAL A 71 8.735 -6.133 -1.157 1.00 0.00 H new ATOM 0 HG21 VAL A 71 8.738 -3.032 -1.221 1.00 0.00 H new ATOM 0 HG22 VAL A 71 9.850 -4.016 -2.203 1.00 0.00 H new ATOM 0 HG23 VAL A 71 8.794 -2.816 -2.987 1.00 0.00 H new ATOM 1011 N ASP A 72 7.136 -7.613 -3.529 1.00 0.00 N ATOM 1012 CA ASP A 72 6.186 -8.700 -3.694 1.00 0.00 C ATOM 1013 C ASP A 72 5.165 -8.658 -2.555 1.00 0.00 C ATOM 1014 O ASP A 72 5.352 -9.302 -1.525 1.00 0.00 O ATOM 1015 CB ASP A 72 6.890 -10.058 -3.647 1.00 0.00 C ATOM 1016 CG ASP A 72 6.234 -11.156 -4.486 1.00 0.00 C ATOM 1017 OD1 ASP A 72 6.246 -11.006 -5.727 1.00 0.00 O ATOM 1018 OD2 ASP A 72 5.735 -12.121 -3.868 1.00 0.00 O ATOM 0 H ASP A 72 8.025 -7.883 -3.108 1.00 0.00 H new ATOM 0 HA ASP A 72 5.700 -8.578 -4.662 1.00 0.00 H new ATOM 0 HB2 ASP A 72 7.918 -9.929 -3.985 1.00 0.00 H new ATOM 0 HB3 ASP A 72 6.934 -10.392 -2.610 1.00 0.00 H new ATOM 1023 N PHE A 73 4.108 -7.892 -2.780 1.00 0.00 N ATOM 1024 CA PHE A 73 3.057 -7.757 -1.786 1.00 0.00 C ATOM 1025 C PHE A 73 2.024 -8.877 -1.924 1.00 0.00 C ATOM 1026 O PHE A 73 0.823 -8.637 -1.810 1.00 0.00 O ATOM 1027 CB PHE A 73 2.371 -6.413 -2.040 1.00 0.00 C ATOM 1028 CG PHE A 73 2.910 -5.267 -1.181 1.00 0.00 C ATOM 1029 CD1 PHE A 73 4.246 -5.015 -1.143 1.00 0.00 C ATOM 1030 CD2 PHE A 73 2.053 -4.500 -0.455 1.00 0.00 C ATOM 1031 CE1 PHE A 73 4.746 -3.952 -0.346 1.00 0.00 C ATOM 1032 CE2 PHE A 73 2.552 -3.437 0.342 1.00 0.00 C ATOM 1033 CZ PHE A 73 3.888 -3.185 0.380 1.00 0.00 C ATOM 0 H PHE A 73 3.957 -7.358 -3.636 1.00 0.00 H new ATOM 0 HA PHE A 73 3.483 -7.814 -0.784 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.487 -6.151 -3.092 1.00 0.00 H new ATOM 0 HB3 PHE A 73 1.302 -6.521 -1.854 1.00 0.00 H new ATOM 0 HD1 PHE A 73 4.927 -5.624 -1.719 1.00 0.00 H new ATOM 0 HD2 PHE A 73 0.992 -4.700 -0.485 1.00 0.00 H new ATOM 0 HE1 PHE A 73 5.807 -3.752 -0.316 1.00 0.00 H new ATOM 0 HE2 PHE A 73 1.871 -2.828 0.918 1.00 0.00 H new ATOM 0 HZ PHE A 73 4.268 -2.376 0.986 1.00 0.00 H new ATOM 1043 N SER A 74 2.530 -10.078 -2.166 1.00 0.00 N ATOM 1044 CA SER A 74 1.666 -11.236 -2.321 1.00 0.00 C ATOM 1045 C SER A 74 1.293 -11.797 -0.947 1.00 0.00 C ATOM 1046 O SER A 74 0.154 -11.658 -0.504 1.00 0.00 O ATOM 1047 CB SER A 74 2.339 -12.316 -3.170 1.00 0.00 C ATOM 1048 OG SER A 74 1.776 -13.604 -2.940 1.00 0.00 O ATOM 0 H SER A 74 3.527 -10.274 -2.258 1.00 0.00 H new ATOM 0 HA SER A 74 0.759 -10.920 -2.837 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.241 -12.061 -4.225 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.405 -12.341 -2.946 1.00 0.00 H new ATOM 0 HG SER A 74 2.232 -14.265 -3.502 1.00 0.00 H new ATOM 1054 N ASN A 75 2.274 -12.420 -0.311 1.00 0.00 N ATOM 1055 CA ASN A 75 2.063 -13.003 1.003 1.00 0.00 C ATOM 1056 C ASN A 75 2.701 -12.104 2.063 1.00 0.00 C ATOM 1057 O ASN A 75 3.412 -12.585 2.945 1.00 0.00 O ATOM 1058 CB ASN A 75 2.712 -14.385 1.102 1.00 0.00 C ATOM 1059 CG ASN A 75 1.735 -15.482 0.673 1.00 0.00 C ATOM 1060 OD1 ASN A 75 1.216 -16.237 1.479 1.00 0.00 O ATOM 1061 ND2 ASN A 75 1.514 -15.527 -0.637 1.00 0.00 N ATOM 0 H ASN A 75 3.218 -12.534 -0.681 1.00 0.00 H new ATOM 0 HA ASN A 75 0.989 -13.096 1.163 1.00 0.00 H new ATOM 0 HB2 ASN A 75 3.601 -14.419 0.473 1.00 0.00 H new ATOM 0 HB3 ASN A 75 3.039 -14.565 2.126 1.00 0.00 H new ATOM 0 HD21 ASN A 75 0.877 -16.224 -1.023 1.00 0.00 H new ATOM 0 HD22 ASN A 75 1.981 -14.865 -1.256 1.00 0.00 H new ATOM 1068 N LEU A 76 2.425 -10.814 1.943 1.00 0.00 N ATOM 1069 CA LEU A 76 2.963 -9.843 2.881 1.00 0.00 C ATOM 1070 C LEU A 76 2.117 -9.849 4.156 1.00 0.00 C ATOM 1071 O LEU A 76 1.306 -10.750 4.363 1.00 0.00 O ATOM 1072 CB LEU A 76 3.073 -8.466 2.222 1.00 0.00 C ATOM 1073 CG LEU A 76 4.460 -8.078 1.707 1.00 0.00 C ATOM 1074 CD1 LEU A 76 4.474 -6.633 1.205 1.00 0.00 C ATOM 1075 CD2 LEU A 76 5.530 -8.325 2.773 1.00 0.00 C ATOM 0 H LEU A 76 1.836 -10.418 1.210 1.00 0.00 H new ATOM 0 HA LEU A 76 3.978 -10.114 3.171 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.373 -8.428 1.387 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.751 -7.714 2.942 1.00 0.00 H new ATOM 0 HG LEU A 76 4.699 -8.717 0.857 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.472 -6.383 0.844 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.756 -6.523 0.392 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.204 -5.962 2.020 1.00 0.00 H new ATOM 0 HD21 LEU A 76 6.507 -8.041 2.381 1.00 0.00 H new ATOM 0 HD22 LEU A 76 5.307 -7.729 3.658 1.00 0.00 H new ATOM 0 HD23 LEU A 76 5.540 -9.382 3.041 1.00 0.00 H new ATOM 1087 N ASP A 77 2.336 -8.833 4.978 1.00 0.00 N ATOM 1088 CA ASP A 77 1.604 -8.709 6.227 1.00 0.00 C ATOM 1089 C ASP A 77 1.126 -7.265 6.393 1.00 0.00 C ATOM 1090 O ASP A 77 1.518 -6.386 5.627 1.00 0.00 O ATOM 1091 CB ASP A 77 2.494 -9.053 7.423 1.00 0.00 C ATOM 1092 CG ASP A 77 1.780 -9.074 8.776 1.00 0.00 C ATOM 1093 OD1 ASP A 77 1.007 -10.032 8.995 1.00 0.00 O ATOM 1094 OD2 ASP A 77 2.022 -8.132 9.560 1.00 0.00 O ATOM 0 H ASP A 77 3.010 -8.088 4.803 1.00 0.00 H new ATOM 0 HA ASP A 77 0.761 -9.400 6.194 1.00 0.00 H new ATOM 0 HB2 ASP A 77 2.945 -10.031 7.252 1.00 0.00 H new ATOM 0 HB3 ASP A 77 3.309 -8.330 7.470 1.00 0.00 H new ATOM 1099 N HIS A 78 0.286 -7.065 7.398 1.00 0.00 N ATOM 1100 CA HIS A 78 -0.249 -5.743 7.674 1.00 0.00 C ATOM 1101 C HIS A 78 0.848 -4.859 8.269 1.00 0.00 C ATOM 1102 O HIS A 78 0.641 -3.666 8.484 1.00 0.00 O ATOM 1103 CB HIS A 78 -1.487 -5.834 8.568 1.00 0.00 C ATOM 1104 CG HIS A 78 -2.161 -4.507 8.821 1.00 0.00 C ATOM 1105 ND1 HIS A 78 -1.753 -3.637 9.817 1.00 0.00 N ATOM 1106 CD2 HIS A 78 -3.217 -3.910 8.198 1.00 0.00 C ATOM 1107 CE1 HIS A 78 -2.535 -2.568 9.786 1.00 0.00 C ATOM 1108 NE2 HIS A 78 -3.443 -2.740 8.782 1.00 0.00 N ATOM 0 H HIS A 78 -0.037 -7.797 8.031 1.00 0.00 H new ATOM 0 HA HIS A 78 -0.577 -5.278 6.744 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -2.205 -6.513 8.108 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -1.201 -6.273 9.524 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -3.775 -4.320 7.369 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -2.466 -1.711 10.440 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -4.175 -2.078 8.523 1.00 0.00 H new ATOM 1116 N LYS A 79 1.993 -5.479 8.518 1.00 0.00 N ATOM 1117 CA LYS A 79 3.123 -4.763 9.084 1.00 0.00 C ATOM 1118 C LYS A 79 4.212 -4.615 8.020 1.00 0.00 C ATOM 1119 O LYS A 79 4.894 -3.593 7.962 1.00 0.00 O ATOM 1120 CB LYS A 79 3.604 -5.448 10.365 1.00 0.00 C ATOM 1121 CG LYS A 79 2.547 -5.354 11.467 1.00 0.00 C ATOM 1122 CD LYS A 79 3.099 -4.628 12.696 1.00 0.00 C ATOM 1123 CE LYS A 79 2.641 -5.310 13.987 1.00 0.00 C ATOM 1124 NZ LYS A 79 3.790 -5.524 14.896 1.00 0.00 N ATOM 0 H LYS A 79 2.162 -6.469 8.338 1.00 0.00 H new ATOM 0 HA LYS A 79 2.827 -3.757 9.380 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.828 -6.495 10.160 1.00 0.00 H new ATOM 0 HB3 LYS A 79 4.530 -4.984 10.704 1.00 0.00 H new ATOM 0 HG2 LYS A 79 1.671 -4.826 11.091 1.00 0.00 H new ATOM 0 HG3 LYS A 79 2.220 -6.355 11.748 1.00 0.00 H new ATOM 0 HD2 LYS A 79 4.188 -4.613 12.655 1.00 0.00 H new ATOM 0 HD3 LYS A 79 2.765 -3.590 12.690 1.00 0.00 H new ATOM 0 HE2 LYS A 79 1.888 -4.697 14.482 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.171 -6.266 13.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 3.462 -5.988 15.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 4.496 -6.127 14.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 4.221 -4.607 15.133 1.00 0.00 H new ATOM 1138 N GLU A 80 4.342 -5.651 7.204 1.00 0.00 N ATOM 1139 CA GLU A 80 5.337 -5.649 6.145 1.00 0.00 C ATOM 1140 C GLU A 80 4.859 -4.793 4.970 1.00 0.00 C ATOM 1141 O GLU A 80 5.657 -4.108 4.332 1.00 0.00 O ATOM 1142 CB GLU A 80 5.656 -7.074 5.690 1.00 0.00 C ATOM 1143 CG GLU A 80 6.277 -7.887 6.829 1.00 0.00 C ATOM 1144 CD GLU A 80 7.713 -8.292 6.494 1.00 0.00 C ATOM 1145 OE1 GLU A 80 8.568 -7.381 6.464 1.00 0.00 O ATOM 1146 OE2 GLU A 80 7.924 -9.505 6.274 1.00 0.00 O ATOM 0 H GLU A 80 3.775 -6.497 7.255 1.00 0.00 H new ATOM 0 HA GLU A 80 6.256 -5.213 6.537 1.00 0.00 H new ATOM 0 HB2 GLU A 80 4.745 -7.562 5.345 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.342 -7.044 4.843 1.00 0.00 H new ATOM 0 HG2 GLU A 80 6.266 -7.300 7.747 1.00 0.00 H new ATOM 0 HG3 GLU A 80 5.677 -8.779 7.013 1.00 0.00 H new ATOM 1153 N ALA A 81 3.560 -4.860 4.719 1.00 0.00 N ATOM 1154 CA ALA A 81 2.967 -4.100 3.632 1.00 0.00 C ATOM 1155 C ALA A 81 2.918 -2.621 4.018 1.00 0.00 C ATOM 1156 O ALA A 81 2.985 -1.747 3.154 1.00 0.00 O ATOM 1157 CB ALA A 81 1.582 -4.665 3.310 1.00 0.00 C ATOM 0 H ALA A 81 2.901 -5.429 5.250 1.00 0.00 H new ATOM 0 HA ALA A 81 3.572 -4.185 2.729 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.137 -4.095 2.495 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.675 -5.710 3.014 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.946 -4.593 4.192 1.00 0.00 H new ATOM 1163 N VAL A 82 2.800 -2.384 5.316 1.00 0.00 N ATOM 1164 CA VAL A 82 2.741 -1.025 5.827 1.00 0.00 C ATOM 1165 C VAL A 82 4.159 -0.461 5.930 1.00 0.00 C ATOM 1166 O VAL A 82 4.416 0.664 5.503 1.00 0.00 O ATOM 1167 CB VAL A 82 1.990 -0.999 7.160 1.00 0.00 C ATOM 1168 CG1 VAL A 82 2.410 0.206 8.003 1.00 0.00 C ATOM 1169 CG2 VAL A 82 0.476 -1.011 6.937 1.00 0.00 C ATOM 0 H VAL A 82 2.744 -3.111 6.030 1.00 0.00 H new ATOM 0 HA VAL A 82 2.185 -0.384 5.143 1.00 0.00 H new ATOM 0 HB VAL A 82 2.255 -1.902 7.711 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.861 0.200 8.945 1.00 0.00 H new ATOM 0 HG12 VAL A 82 3.480 0.153 8.206 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.189 1.125 7.460 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.034 -0.992 7.900 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.187 -0.135 6.356 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.195 -1.914 6.396 1.00 0.00 H new ATOM 1179 N ASN A 83 5.043 -1.268 6.498 1.00 0.00 N ATOM 1180 CA ASN A 83 6.429 -0.863 6.662 1.00 0.00 C ATOM 1181 C ASN A 83 7.022 -0.523 5.293 1.00 0.00 C ATOM 1182 O ASN A 83 7.759 0.452 5.156 1.00 0.00 O ATOM 1183 CB ASN A 83 7.264 -1.991 7.272 1.00 0.00 C ATOM 1184 CG ASN A 83 8.694 -1.526 7.550 1.00 0.00 C ATOM 1185 OD1 ASN A 83 8.975 -0.849 8.526 1.00 0.00 O ATOM 1186 ND2 ASN A 83 9.580 -1.925 6.642 1.00 0.00 N ATOM 0 H ASN A 83 4.827 -2.200 6.850 1.00 0.00 H new ATOM 0 HA ASN A 83 6.451 0.002 7.325 1.00 0.00 H new ATOM 0 HB2 ASN A 83 6.801 -2.330 8.199 1.00 0.00 H new ATOM 0 HB3 ASN A 83 7.281 -2.844 6.593 1.00 0.00 H new ATOM 0 HD21 ASN A 83 10.562 -1.666 6.739 1.00 0.00 H new ATOM 0 HD22 ASN A 83 9.278 -2.490 5.849 1.00 0.00 H new ATOM 1193 N VAL A 84 6.678 -1.347 4.314 1.00 0.00 N ATOM 1194 CA VAL A 84 7.167 -1.146 2.960 1.00 0.00 C ATOM 1195 C VAL A 84 6.452 0.056 2.338 1.00 0.00 C ATOM 1196 O VAL A 84 7.023 0.759 1.506 1.00 0.00 O ATOM 1197 CB VAL A 84 6.997 -2.430 2.146 1.00 0.00 C ATOM 1198 CG1 VAL A 84 7.352 -2.198 0.676 1.00 0.00 C ATOM 1199 CG2 VAL A 84 7.829 -3.569 2.738 1.00 0.00 C ATOM 0 H VAL A 84 6.067 -2.155 4.431 1.00 0.00 H new ATOM 0 HA VAL A 84 8.234 -0.922 2.968 1.00 0.00 H new ATOM 0 HB VAL A 84 5.948 -2.721 2.195 1.00 0.00 H new ATOM 0 HG11 VAL A 84 7.223 -3.126 0.120 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.698 -1.432 0.260 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.389 -1.871 0.599 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.690 -4.470 2.140 1.00 0.00 H new ATOM 0 HG22 VAL A 84 8.883 -3.290 2.734 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.508 -3.760 3.762 1.00 0.00 H new ATOM 1209 N LEU A 85 5.214 0.253 2.764 1.00 0.00 N ATOM 1210 CA LEU A 85 4.415 1.357 2.259 1.00 0.00 C ATOM 1211 C LEU A 85 4.868 2.656 2.929 1.00 0.00 C ATOM 1212 O LEU A 85 4.795 3.727 2.328 1.00 0.00 O ATOM 1213 CB LEU A 85 2.924 1.063 2.432 1.00 0.00 C ATOM 1214 CG LEU A 85 2.283 0.188 1.353 1.00 0.00 C ATOM 1215 CD1 LEU A 85 0.898 -0.293 1.787 1.00 0.00 C ATOM 1216 CD2 LEU A 85 2.242 0.918 0.009 1.00 0.00 C ATOM 0 H LEU A 85 4.744 -0.333 3.454 1.00 0.00 H new ATOM 0 HA LEU A 85 4.569 1.480 1.187 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.779 0.579 3.398 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.389 2.012 2.468 1.00 0.00 H new ATOM 0 HG LEU A 85 2.903 -0.699 1.219 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.465 -0.913 1.002 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.986 -0.877 2.703 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.254 0.568 1.966 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.782 0.274 -0.741 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.658 1.833 0.110 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.257 1.167 -0.301 1.00 0.00 H new ATOM 1228 N LYS A 86 5.325 2.519 4.165 1.00 0.00 N ATOM 1229 CA LYS A 86 5.789 3.668 4.923 1.00 0.00 C ATOM 1230 C LYS A 86 7.307 3.788 4.782 1.00 0.00 C ATOM 1231 O LYS A 86 7.912 4.722 5.307 1.00 0.00 O ATOM 1232 CB LYS A 86 5.311 3.582 6.374 1.00 0.00 C ATOM 1233 CG LYS A 86 6.369 2.924 7.262 1.00 0.00 C ATOM 1234 CD LYS A 86 5.888 2.831 8.711 1.00 0.00 C ATOM 1235 CE LYS A 86 4.716 1.856 8.838 1.00 0.00 C ATOM 1236 NZ LYS A 86 4.520 1.462 10.251 1.00 0.00 N ATOM 0 H LYS A 86 5.384 1.629 4.660 1.00 0.00 H new ATOM 0 HA LYS A 86 5.358 4.586 4.524 1.00 0.00 H new ATOM 0 HB2 LYS A 86 5.089 4.582 6.747 1.00 0.00 H new ATOM 0 HB3 LYS A 86 4.384 3.010 6.422 1.00 0.00 H new ATOM 0 HG2 LYS A 86 6.595 1.926 6.886 1.00 0.00 H new ATOM 0 HG3 LYS A 86 7.294 3.499 7.218 1.00 0.00 H new ATOM 0 HD2 LYS A 86 6.708 2.504 9.350 1.00 0.00 H new ATOM 0 HD3 LYS A 86 5.585 3.818 9.061 1.00 0.00 H new ATOM 0 HE2 LYS A 86 3.807 2.319 8.454 1.00 0.00 H new ATOM 0 HE3 LYS A 86 4.904 0.971 8.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 3.721 0.800 10.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 5.382 1.001 10.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 4.319 2.307 10.822 1.00 0.00 H new ATOM 1250 N SER A 87 7.881 2.828 4.072 1.00 0.00 N ATOM 1251 CA SER A 87 9.318 2.813 3.855 1.00 0.00 C ATOM 1252 C SER A 87 9.773 4.153 3.273 1.00 0.00 C ATOM 1253 O SER A 87 10.555 4.870 3.894 1.00 0.00 O ATOM 1254 CB SER A 87 9.723 1.666 2.928 1.00 0.00 C ATOM 1255 OG SER A 87 10.726 0.838 3.510 1.00 0.00 O ATOM 0 H SER A 87 7.377 2.054 3.639 1.00 0.00 H new ATOM 0 HA SER A 87 9.808 2.657 4.816 1.00 0.00 H new ATOM 0 HB2 SER A 87 8.846 1.063 2.693 1.00 0.00 H new ATOM 0 HB3 SER A 87 10.091 2.074 1.986 1.00 0.00 H new ATOM 0 HG SER A 87 10.956 0.117 2.888 1.00 0.00 H new ATOM 1261 N SER A 88 9.263 4.449 2.086 1.00 0.00 N ATOM 1262 CA SER A 88 9.607 5.690 1.413 1.00 0.00 C ATOM 1263 C SER A 88 8.339 6.491 1.111 1.00 0.00 C ATOM 1264 O SER A 88 7.237 6.067 1.455 1.00 0.00 O ATOM 1265 CB SER A 88 10.384 5.419 0.123 1.00 0.00 C ATOM 1266 OG SER A 88 11.202 6.525 -0.250 1.00 0.00 O ATOM 0 H SER A 88 8.615 3.851 1.574 1.00 0.00 H new ATOM 0 HA SER A 88 10.247 6.273 2.076 1.00 0.00 H new ATOM 0 HB2 SER A 88 11.008 4.535 0.254 1.00 0.00 H new ATOM 0 HB3 SER A 88 9.684 5.198 -0.682 1.00 0.00 H new ATOM 0 HG SER A 88 11.683 6.312 -1.077 1.00 0.00 H new ATOM 1272 N ARG A 89 8.538 7.634 0.470 1.00 0.00 N ATOM 1273 CA ARG A 89 7.424 8.497 0.118 1.00 0.00 C ATOM 1274 C ARG A 89 6.814 8.060 -1.215 1.00 0.00 C ATOM 1275 O ARG A 89 5.619 7.777 -1.292 1.00 0.00 O ATOM 1276 CB ARG A 89 7.870 9.957 0.012 1.00 0.00 C ATOM 1277 CG ARG A 89 8.703 10.365 1.229 1.00 0.00 C ATOM 1278 CD ARG A 89 7.824 10.505 2.473 1.00 0.00 C ATOM 1279 NE ARG A 89 8.588 10.112 3.679 1.00 0.00 N ATOM 1280 CZ ARG A 89 8.026 9.787 4.851 1.00 0.00 C ATOM 1281 NH1 ARG A 89 6.692 9.805 4.983 1.00 0.00 N ATOM 1282 NH2 ARG A 89 8.797 9.443 5.891 1.00 0.00 N ATOM 0 H ARG A 89 9.454 7.982 0.186 1.00 0.00 H new ATOM 0 HA ARG A 89 6.678 8.413 0.908 1.00 0.00 H new ATOM 0 HB2 ARG A 89 8.455 10.097 -0.897 1.00 0.00 H new ATOM 0 HB3 ARG A 89 6.996 10.603 -0.068 1.00 0.00 H new ATOM 0 HG2 ARG A 89 9.479 9.621 1.409 1.00 0.00 H new ATOM 0 HG3 ARG A 89 9.208 11.310 1.028 1.00 0.00 H new ATOM 0 HD2 ARG A 89 7.479 11.534 2.570 1.00 0.00 H new ATOM 0 HD3 ARG A 89 6.937 9.879 2.374 1.00 0.00 H new ATOM 0 HE ARG A 89 9.606 10.087 3.613 1.00 0.00 H new ATOM 0 HH11 ARG A 89 6.105 10.066 4.191 1.00 0.00 H new ATOM 0 HH12 ARG A 89 6.264 9.558 5.875 1.00 0.00 H new ATOM 0 HH21 ARG A 89 9.812 9.429 5.791 1.00 0.00 H new ATOM 0 HH22 ARG A 89 8.369 9.196 6.783 1.00 0.00 H new ATOM 1296 N SER A 90 7.662 8.017 -2.232 1.00 0.00 N ATOM 1297 CA SER A 90 7.221 7.619 -3.558 1.00 0.00 C ATOM 1298 C SER A 90 7.270 6.095 -3.690 1.00 0.00 C ATOM 1299 O SER A 90 8.335 5.492 -3.567 1.00 0.00 O ATOM 1300 CB SER A 90 8.079 8.273 -4.643 1.00 0.00 C ATOM 1301 OG SER A 90 8.797 9.400 -4.149 1.00 0.00 O ATOM 0 H SER A 90 8.652 8.251 -2.164 1.00 0.00 H new ATOM 0 HA SER A 90 6.193 7.957 -3.692 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.782 7.541 -5.040 1.00 0.00 H new ATOM 0 HB3 SER A 90 7.442 8.584 -5.471 1.00 0.00 H new ATOM 0 HG SER A 90 9.334 9.788 -4.871 1.00 0.00 H new ATOM 1307 N LEU A 91 6.104 5.517 -3.938 1.00 0.00 N ATOM 1308 CA LEU A 91 6.000 4.076 -4.088 1.00 0.00 C ATOM 1309 C LEU A 91 5.094 3.755 -5.278 1.00 0.00 C ATOM 1310 O LEU A 91 4.169 4.508 -5.579 1.00 0.00 O ATOM 1311 CB LEU A 91 5.545 3.432 -2.777 1.00 0.00 C ATOM 1312 CG LEU A 91 6.402 3.737 -1.547 1.00 0.00 C ATOM 1313 CD1 LEU A 91 5.564 4.380 -0.440 1.00 0.00 C ATOM 1314 CD2 LEU A 91 7.128 2.481 -1.059 1.00 0.00 C ATOM 0 H LEU A 91 5.223 6.021 -4.039 1.00 0.00 H new ATOM 0 HA LEU A 91 6.977 3.645 -4.306 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.524 3.754 -2.573 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.517 2.351 -2.917 1.00 0.00 H new ATOM 0 HG LEU A 91 7.166 4.460 -1.834 1.00 0.00 H new ATOM 0 HD11 LEU A 91 6.198 4.586 0.423 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.133 5.312 -0.805 1.00 0.00 H new ATOM 0 HD13 LEU A 91 4.764 3.700 -0.148 1.00 0.00 H new ATOM 0 HD21 LEU A 91 7.730 2.726 -0.184 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.396 1.718 -0.794 1.00 0.00 H new ATOM 0 HD23 LEU A 91 7.775 2.104 -1.851 1.00 0.00 H new ATOM 1326 N THR A 92 5.390 2.635 -5.922 1.00 0.00 N ATOM 1327 CA THR A 92 4.613 2.206 -7.072 1.00 0.00 C ATOM 1328 C THR A 92 3.785 0.968 -6.724 1.00 0.00 C ATOM 1329 O THR A 92 4.305 -0.147 -6.706 1.00 0.00 O ATOM 1330 CB THR A 92 5.579 1.982 -8.238 1.00 0.00 C ATOM 1331 OG1 THR A 92 6.412 3.139 -8.226 1.00 0.00 O ATOM 1332 CG2 THR A 92 4.879 2.042 -9.597 1.00 0.00 C ATOM 0 H THR A 92 6.157 2.012 -5.669 1.00 0.00 H new ATOM 0 HA THR A 92 3.892 2.968 -7.369 1.00 0.00 H new ATOM 0 HB THR A 92 6.068 1.015 -8.123 1.00 0.00 H new ATOM 0 HG1 THR A 92 5.950 3.879 -8.673 1.00 0.00 H new ATOM 0 HG21 THR A 92 5.609 1.877 -10.390 1.00 0.00 H new ATOM 0 HG22 THR A 92 4.110 1.271 -9.645 1.00 0.00 H new ATOM 0 HG23 THR A 92 4.418 3.021 -9.726 1.00 0.00 H new ATOM 1340 N ILE A 93 2.509 1.205 -6.455 1.00 0.00 N ATOM 1341 CA ILE A 93 1.604 0.123 -6.108 1.00 0.00 C ATOM 1342 C ILE A 93 0.978 -0.441 -7.385 1.00 0.00 C ATOM 1343 O ILE A 93 0.594 0.312 -8.278 1.00 0.00 O ATOM 1344 CB ILE A 93 0.577 0.594 -5.076 1.00 0.00 C ATOM 1345 CG1 ILE A 93 1.268 1.190 -3.847 1.00 0.00 C ATOM 1346 CG2 ILE A 93 -0.383 -0.537 -4.702 1.00 0.00 C ATOM 1347 CD1 ILE A 93 0.413 2.291 -3.217 1.00 0.00 C ATOM 0 H ILE A 93 2.081 2.131 -6.470 1.00 0.00 H new ATOM 0 HA ILE A 93 2.149 -0.692 -5.632 1.00 0.00 H new ATOM 0 HB ILE A 93 -0.020 1.387 -5.526 1.00 0.00 H new ATOM 0 HG12 ILE A 93 1.454 0.405 -3.114 1.00 0.00 H new ATOM 0 HG13 ILE A 93 2.238 1.597 -4.132 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -1.102 -0.176 -3.967 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -0.913 -0.874 -5.593 1.00 0.00 H new ATOM 0 HG23 ILE A 93 0.181 -1.368 -4.279 1.00 0.00 H new ATOM 0 HD11 ILE A 93 0.927 2.697 -2.346 1.00 0.00 H new ATOM 0 HD12 ILE A 93 0.249 3.086 -3.945 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -0.547 1.876 -2.911 1.00 0.00 H new ATOM 1359 N SER A 94 0.894 -1.763 -7.430 1.00 0.00 N ATOM 1360 CA SER A 94 0.321 -2.437 -8.583 1.00 0.00 C ATOM 1361 C SER A 94 -0.898 -3.257 -8.157 1.00 0.00 C ATOM 1362 O SER A 94 -0.755 -4.352 -7.615 1.00 0.00 O ATOM 1363 CB SER A 94 1.354 -3.337 -9.264 1.00 0.00 C ATOM 1364 OG SER A 94 1.610 -2.934 -10.607 1.00 0.00 O ATOM 0 H SER A 94 1.213 -2.385 -6.687 1.00 0.00 H new ATOM 0 HA SER A 94 0.008 -1.680 -9.302 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.284 -3.316 -8.696 1.00 0.00 H new ATOM 0 HB3 SER A 94 0.999 -4.367 -9.256 1.00 0.00 H new ATOM 0 HG SER A 94 2.276 -3.532 -11.007 1.00 0.00 H new ATOM 1370 N ILE A 95 -2.069 -2.696 -8.417 1.00 0.00 N ATOM 1371 CA ILE A 95 -3.313 -3.361 -8.067 1.00 0.00 C ATOM 1372 C ILE A 95 -3.899 -4.026 -9.314 1.00 0.00 C ATOM 1373 O ILE A 95 -3.426 -3.794 -10.426 1.00 0.00 O ATOM 1374 CB ILE A 95 -4.271 -2.383 -7.385 1.00 0.00 C ATOM 1375 CG1 ILE A 95 -4.490 -1.138 -8.247 1.00 0.00 C ATOM 1376 CG2 ILE A 95 -3.782 -2.027 -5.979 1.00 0.00 C ATOM 1377 CD1 ILE A 95 -5.982 -0.856 -8.434 1.00 0.00 C ATOM 0 H ILE A 95 -2.183 -1.787 -8.866 1.00 0.00 H new ATOM 0 HA ILE A 95 -3.130 -4.151 -7.339 1.00 0.00 H new ATOM 0 HB ILE A 95 -5.238 -2.873 -7.276 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -4.010 -0.279 -7.779 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -4.018 -1.277 -9.220 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -4.481 -1.330 -5.516 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -3.719 -2.933 -5.376 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -2.797 -1.564 -6.043 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.110 0.034 -9.050 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -6.455 -1.707 -8.924 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.446 -0.693 -7.461 1.00 0.00 H new ATOM 1389 N VAL A 96 -4.919 -4.840 -9.088 1.00 0.00 N ATOM 1390 CA VAL A 96 -5.575 -5.540 -10.179 1.00 0.00 C ATOM 1391 C VAL A 96 -6.966 -4.943 -10.401 1.00 0.00 C ATOM 1392 O VAL A 96 -7.892 -5.648 -10.798 1.00 0.00 O ATOM 1393 CB VAL A 96 -5.608 -7.042 -9.892 1.00 0.00 C ATOM 1394 CG1 VAL A 96 -6.425 -7.785 -10.952 1.00 0.00 C ATOM 1395 CG2 VAL A 96 -4.192 -7.613 -9.792 1.00 0.00 C ATOM 0 H VAL A 96 -5.308 -5.031 -8.164 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.015 -5.412 -11.106 1.00 0.00 H new ATOM 0 HB VAL A 96 -6.097 -7.188 -8.929 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -6.432 -8.851 -10.724 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -7.447 -7.407 -10.954 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.978 -7.627 -11.933 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.245 -8.682 -9.587 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -3.666 -7.449 -10.733 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.655 -7.115 -8.985 1.00 0.00 H new ATOM 1405 N ALA A 97 -7.069 -3.649 -10.134 1.00 0.00 N ATOM 1406 CA ALA A 97 -8.331 -2.949 -10.299 1.00 0.00 C ATOM 1407 C ALA A 97 -9.459 -3.792 -9.701 1.00 0.00 C ATOM 1408 O ALA A 97 -10.008 -4.665 -10.370 1.00 0.00 O ATOM 1409 CB ALA A 97 -8.555 -2.643 -11.781 1.00 0.00 C ATOM 0 H ALA A 97 -6.299 -3.067 -9.804 1.00 0.00 H new ATOM 0 HA ALA A 97 -8.314 -1.997 -9.768 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -9.502 -2.118 -11.905 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -7.742 -2.018 -12.150 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -8.581 -3.575 -12.345 1.00 0.00 H new ATOM 1415 N ALA A 98 -9.771 -3.500 -8.446 1.00 0.00 N ATOM 1416 CA ALA A 98 -10.823 -4.220 -7.750 1.00 0.00 C ATOM 1417 C ALA A 98 -10.584 -5.725 -7.889 1.00 0.00 C ATOM 1418 O ALA A 98 -11.450 -6.453 -8.372 1.00 0.00 O ATOM 1419 CB ALA A 98 -12.185 -3.793 -8.301 1.00 0.00 C ATOM 0 H ALA A 98 -9.313 -2.775 -7.894 1.00 0.00 H new ATOM 0 HA ALA A 98 -10.812 -3.981 -6.687 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -12.974 -4.333 -7.779 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -12.318 -2.722 -8.151 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -12.234 -4.019 -9.366 1.00 0.00 H new ATOM 1425 N ALA A 99 -9.404 -6.147 -7.459 1.00 0.00 N ATOM 1426 CA ALA A 99 -9.040 -7.551 -7.529 1.00 0.00 C ATOM 1427 C ALA A 99 -10.035 -8.374 -6.708 1.00 0.00 C ATOM 1428 O ALA A 99 -10.902 -9.044 -7.267 1.00 0.00 O ATOM 1429 CB ALA A 99 -7.598 -7.730 -7.048 1.00 0.00 C ATOM 0 H ALA A 99 -8.687 -5.540 -7.061 1.00 0.00 H new ATOM 0 HA ALA A 99 -9.087 -7.908 -8.558 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -7.325 -8.784 -7.101 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -6.928 -7.150 -7.682 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -7.512 -7.384 -6.018 1.00 0.00 H new ATOM 1435 N GLY A 100 -9.877 -8.296 -5.395 1.00 0.00 N ATOM 1436 CA GLY A 100 -10.751 -9.024 -4.492 1.00 0.00 C ATOM 1437 C GLY A 100 -11.885 -8.130 -3.986 1.00 0.00 C ATOM 1438 O GLY A 100 -12.065 -7.972 -2.779 1.00 0.00 O ATOM 0 H GLY A 100 -9.156 -7.740 -4.935 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -11.168 -9.891 -5.004 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -10.175 -9.400 -3.647 1.00 0.00 H new ATOM 1442 N ARG A 101 -12.621 -7.570 -4.934 1.00 0.00 N ATOM 1443 CA ARG A 101 -13.733 -6.696 -4.600 1.00 0.00 C ATOM 1444 C ARG A 101 -14.833 -7.485 -3.887 1.00 0.00 C ATOM 1445 O ARG A 101 -15.675 -6.905 -3.204 1.00 0.00 O ATOM 1446 CB ARG A 101 -14.316 -6.042 -5.854 1.00 0.00 C ATOM 1447 CG ARG A 101 -14.156 -4.521 -5.804 1.00 0.00 C ATOM 1448 CD ARG A 101 -15.230 -3.829 -6.646 1.00 0.00 C ATOM 1449 NE ARG A 101 -15.454 -2.452 -6.150 1.00 0.00 N ATOM 1450 CZ ARG A 101 -16.014 -2.162 -4.968 1.00 0.00 C ATOM 1451 NH1 ARG A 101 -16.411 -3.149 -4.153 1.00 0.00 N ATOM 1452 NH2 ARG A 101 -16.177 -0.884 -4.600 1.00 0.00 N ATOM 0 H ARG A 101 -12.469 -7.704 -5.934 1.00 0.00 H new ATOM 0 HA ARG A 101 -13.354 -5.916 -3.940 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -13.816 -6.435 -6.739 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -15.372 -6.297 -5.944 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -14.222 -4.179 -4.771 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -13.167 -4.243 -6.170 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -14.923 -3.802 -7.691 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -16.160 -4.396 -6.602 1.00 0.00 H new ATOM 0 HE ARG A 101 -15.164 -1.676 -6.745 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -16.287 -4.122 -4.432 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -16.837 -2.927 -3.253 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -15.875 -0.132 -5.220 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -16.603 -0.663 -3.700 1.00 0.00 H new ATOM 1466 N GLU A 102 -14.789 -8.797 -4.070 1.00 0.00 N ATOM 1467 CA GLU A 102 -15.771 -9.672 -3.452 1.00 0.00 C ATOM 1468 C GLU A 102 -15.467 -9.843 -1.963 1.00 0.00 C ATOM 1469 O GLU A 102 -16.247 -10.452 -1.232 1.00 0.00 O ATOM 1470 CB GLU A 102 -15.821 -11.026 -4.161 1.00 0.00 C ATOM 1471 CG GLU A 102 -14.526 -11.810 -3.939 1.00 0.00 C ATOM 1472 CD GLU A 102 -13.897 -12.220 -5.272 1.00 0.00 C ATOM 1473 OE1 GLU A 102 -14.016 -11.421 -6.225 1.00 0.00 O ATOM 1474 OE2 GLU A 102 -13.312 -13.324 -5.307 1.00 0.00 O ATOM 0 H GLU A 102 -14.089 -9.275 -4.637 1.00 0.00 H new ATOM 0 HA GLU A 102 -16.754 -9.211 -3.551 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -16.668 -11.603 -3.790 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -15.981 -10.876 -5.229 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -13.821 -11.202 -3.372 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -14.732 -12.698 -3.342 1.00 0.00 H new ATOM 1481 N LEU A 103 -14.331 -9.296 -1.556 1.00 0.00 N ATOM 1482 CA LEU A 103 -13.914 -9.381 -0.167 1.00 0.00 C ATOM 1483 C LEU A 103 -14.616 -8.286 0.640 1.00 0.00 C ATOM 1484 O LEU A 103 -14.586 -8.300 1.869 1.00 0.00 O ATOM 1485 CB LEU A 103 -12.388 -9.339 -0.062 1.00 0.00 C ATOM 1486 CG LEU A 103 -11.646 -10.569 -0.588 1.00 0.00 C ATOM 1487 CD1 LEU A 103 -10.132 -10.389 -0.466 1.00 0.00 C ATOM 1488 CD2 LEU A 103 -12.130 -11.842 0.108 1.00 0.00 C ATOM 0 H LEU A 103 -13.686 -8.792 -2.165 1.00 0.00 H new ATOM 0 HA LEU A 103 -14.214 -10.337 0.263 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -12.030 -8.464 -0.604 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -12.119 -9.197 0.985 1.00 0.00 H new ATOM 0 HG LEU A 103 -11.873 -10.677 -1.649 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -9.628 -11.277 -0.847 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -9.821 -9.519 -1.045 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -9.866 -10.242 0.581 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -11.586 -12.701 -0.285 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -11.953 -11.760 1.180 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -13.196 -11.974 -0.075 1.00 0.00 H new ATOM 1500 N PHE A 104 -15.232 -7.364 -0.086 1.00 0.00 N ATOM 1501 CA PHE A 104 -15.940 -6.265 0.547 1.00 0.00 C ATOM 1502 C PHE A 104 -17.316 -6.060 -0.091 1.00 0.00 C ATOM 1503 O PHE A 104 -17.611 -4.983 -0.607 1.00 0.00 O ATOM 1504 CB PHE A 104 -15.098 -5.006 0.330 1.00 0.00 C ATOM 1505 CG PHE A 104 -13.614 -5.187 0.654 1.00 0.00 C ATOM 1506 CD1 PHE A 104 -12.758 -5.634 -0.304 1.00 0.00 C ATOM 1507 CD2 PHE A 104 -13.150 -4.900 1.900 1.00 0.00 C ATOM 1508 CE1 PHE A 104 -11.381 -5.801 -0.003 1.00 0.00 C ATOM 1509 CE2 PHE A 104 -11.773 -5.068 2.201 1.00 0.00 C ATOM 1510 CZ PHE A 104 -10.917 -5.515 1.243 1.00 0.00 C ATOM 0 H PHE A 104 -15.255 -7.356 -1.106 1.00 0.00 H new ATOM 0 HA PHE A 104 -16.088 -6.478 1.606 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -15.197 -4.690 -0.708 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -15.499 -4.202 0.948 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -13.126 -5.862 -1.293 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -13.829 -4.544 2.660 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -10.701 -6.155 -0.764 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -11.405 -4.841 3.191 1.00 0.00 H new ATOM 0 HZ PHE A 104 -9.869 -5.643 1.472 1.00 0.00 H new