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 180:sc= 0.0589 USER MOD Set 1.2: A 52 SER OG : rot 115:sc= 1.39 USER MOD Set 1.3: A 54 SER OG : rot -89:sc= -0.236 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+ -121:sc= -0.705 (180deg=-1.2) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -152:sc= 0.183! USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -173:sc= -1.19 USER MOD Single : A 47 HIS : no HD1:sc= -0.618 K(o=-0.62,f=-1.6) USER MOD Single : A 64 GLN : amide:sc= -6.28! C(o=-6.3!,f=-7.5!) USER MOD Single : A 69 ASN : amide:sc= -7.14! C(o=-7.1!,f=-7!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.176 K(o=-0.18,f=-0.87) USER MOD Single : A 78 HIS : no HD1:sc= -0.792 K(o=-0.79,f=-1.9!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= -0.0466 X(o=-0.047,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc=-0.00293 (180deg=-0.00293) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 71:sc= -1.01 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 187 N GLU A 16 -4.839 -5.326 -13.671 1.00 0.00 N ATOM 188 CA GLU A 16 -3.475 -5.038 -13.259 1.00 0.00 C ATOM 189 C GLU A 16 -3.089 -3.614 -13.663 1.00 0.00 C ATOM 190 O GLU A 16 -2.551 -3.397 -14.748 1.00 0.00 O ATOM 191 CB GLU A 16 -2.498 -6.059 -13.845 1.00 0.00 C ATOM 192 CG GLU A 16 -2.390 -7.293 -12.948 1.00 0.00 C ATOM 193 CD GLU A 16 -1.757 -8.465 -13.701 1.00 0.00 C ATOM 194 OE1 GLU A 16 -0.733 -8.220 -14.373 1.00 0.00 O ATOM 195 OE2 GLU A 16 -2.312 -9.579 -13.586 1.00 0.00 O ATOM 0 HA GLU A 16 -3.420 -5.114 -12.173 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.830 -6.356 -14.840 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.515 -5.602 -13.961 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.792 -7.056 -12.068 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.381 -7.577 -12.593 1.00 0.00 H new ATOM 202 N LYS A 17 -3.378 -2.680 -12.769 1.00 0.00 N ATOM 203 CA LYS A 17 -3.067 -1.283 -13.019 1.00 0.00 C ATOM 204 C LYS A 17 -1.949 -0.837 -12.074 1.00 0.00 C ATOM 205 O LYS A 17 -1.892 -1.271 -10.925 1.00 0.00 O ATOM 206 CB LYS A 17 -4.332 -0.427 -12.922 1.00 0.00 C ATOM 207 CG LYS A 17 -4.770 -0.258 -11.466 1.00 0.00 C ATOM 208 CD LYS A 17 -5.537 1.052 -11.273 1.00 0.00 C ATOM 209 CE LYS A 17 -7.035 0.790 -11.109 1.00 0.00 C ATOM 210 NZ LYS A 17 -7.744 1.023 -12.387 1.00 0.00 N ATOM 0 H LYS A 17 -3.824 -2.863 -11.870 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.697 -1.151 -14.036 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.148 0.551 -13.366 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -5.134 -0.891 -13.495 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.399 -1.098 -11.172 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.895 -0.271 -10.816 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.157 1.574 -10.395 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.370 1.705 -12.129 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.197 -0.236 -10.778 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -7.442 1.442 -10.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.760 0.841 -12.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.604 2.009 -12.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.367 0.383 -13.115 1.00 0.00 H new ATOM 224 N LYS A 18 -1.088 0.026 -12.594 1.00 0.00 N ATOM 225 CA LYS A 18 0.025 0.536 -11.811 1.00 0.00 C ATOM 226 C LYS A 18 -0.344 1.907 -11.241 1.00 0.00 C ATOM 227 O LYS A 18 -0.618 2.842 -11.992 1.00 0.00 O ATOM 228 CB LYS A 18 1.308 0.541 -12.644 1.00 0.00 C ATOM 229 CG LYS A 18 2.536 0.758 -11.758 1.00 0.00 C ATOM 230 CD LYS A 18 3.351 1.962 -12.236 1.00 0.00 C ATOM 231 CE LYS A 18 4.233 1.587 -13.429 1.00 0.00 C ATOM 232 NZ LYS A 18 5.197 0.530 -13.049 1.00 0.00 N ATOM 0 H LYS A 18 -1.139 0.385 -13.547 1.00 0.00 H new ATOM 0 HA LYS A 18 0.226 -0.118 -10.963 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.403 -0.405 -13.178 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.254 1.328 -13.396 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.221 0.914 -10.726 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.160 -0.136 -11.770 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.679 2.773 -12.517 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.973 2.332 -11.421 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.611 1.240 -14.254 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.770 2.467 -13.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 6.167 0.873 -13.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.070 0.289 -12.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.033 -0.316 -13.632 1.00 0.00 H new ATOM 246 N VAL A 19 -0.339 1.984 -9.919 1.00 0.00 N ATOM 247 CA VAL A 19 -0.669 3.225 -9.240 1.00 0.00 C ATOM 248 C VAL A 19 0.523 3.669 -8.389 1.00 0.00 C ATOM 249 O VAL A 19 0.956 2.943 -7.495 1.00 0.00 O ATOM 250 CB VAL A 19 -1.953 3.051 -8.426 1.00 0.00 C ATOM 251 CG1 VAL A 19 -3.189 3.185 -9.317 1.00 0.00 C ATOM 252 CG2 VAL A 19 -1.954 1.713 -7.684 1.00 0.00 C ATOM 0 H VAL A 19 -0.111 1.206 -9.299 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.864 4.016 -9.964 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.989 3.847 -7.682 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -4.088 3.057 -8.714 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.199 4.172 -9.779 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.162 2.421 -10.094 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.877 1.614 -7.113 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.883 0.898 -8.404 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.102 1.673 -7.005 1.00 0.00 H new ATOM 262 N PHE A 20 1.019 4.858 -8.697 1.00 0.00 N ATOM 263 CA PHE A 20 2.152 5.407 -7.972 1.00 0.00 C ATOM 264 C PHE A 20 1.688 6.382 -6.887 1.00 0.00 C ATOM 265 O PHE A 20 1.133 7.436 -7.192 1.00 0.00 O ATOM 266 CB PHE A 20 3.010 6.163 -8.988 1.00 0.00 C ATOM 267 CG PHE A 20 4.516 5.998 -8.776 1.00 0.00 C ATOM 268 CD1 PHE A 20 5.039 6.077 -7.523 1.00 0.00 C ATOM 269 CD2 PHE A 20 5.332 5.772 -9.841 1.00 0.00 C ATOM 270 CE1 PHE A 20 6.437 5.924 -7.327 1.00 0.00 C ATOM 271 CE2 PHE A 20 6.730 5.619 -9.644 1.00 0.00 C ATOM 272 CZ PHE A 20 7.253 5.698 -8.391 1.00 0.00 C ATOM 0 H PHE A 20 0.657 5.457 -9.439 1.00 0.00 H new ATOM 0 HA PHE A 20 2.708 4.604 -7.488 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.755 5.820 -9.991 1.00 0.00 H new ATOM 0 HB3 PHE A 20 2.761 7.223 -8.941 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.391 6.256 -6.678 1.00 0.00 H new ATOM 0 HD2 PHE A 20 4.917 5.709 -10.836 1.00 0.00 H new ATOM 0 HE1 PHE A 20 6.853 5.987 -6.332 1.00 0.00 H new ATOM 0 HE2 PHE A 20 7.378 5.440 -10.489 1.00 0.00 H new ATOM 0 HZ PHE A 20 8.316 5.581 -8.241 1.00 0.00 H new ATOM 282 N ILE A 21 1.934 5.995 -5.644 1.00 0.00 N ATOM 283 CA ILE A 21 1.549 6.822 -4.513 1.00 0.00 C ATOM 284 C ILE A 21 2.786 7.534 -3.963 1.00 0.00 C ATOM 285 O ILE A 21 3.785 6.892 -3.640 1.00 0.00 O ATOM 286 CB ILE A 21 0.805 5.988 -3.469 1.00 0.00 C ATOM 287 CG1 ILE A 21 -0.427 5.316 -4.080 1.00 0.00 C ATOM 288 CG2 ILE A 21 0.448 6.834 -2.244 1.00 0.00 C ATOM 289 CD1 ILE A 21 -1.625 6.267 -4.083 1.00 0.00 C ATOM 0 H ILE A 21 2.395 5.120 -5.395 1.00 0.00 H new ATOM 0 HA ILE A 21 0.849 7.596 -4.828 1.00 0.00 H new ATOM 0 HB ILE A 21 1.470 5.194 -3.130 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.206 5.001 -5.100 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.673 4.417 -3.515 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.080 6.217 -1.517 1.00 0.00 H new ATOM 0 HG22 ILE A 21 1.360 7.225 -1.793 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.191 7.663 -2.548 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -2.487 5.765 -4.522 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.859 6.561 -3.060 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.384 7.154 -4.669 1.00 0.00 H new ATOM 301 N SER A 22 2.681 8.852 -3.874 1.00 0.00 N ATOM 302 CA SER A 22 3.778 9.659 -3.369 1.00 0.00 C ATOM 303 C SER A 22 3.347 10.392 -2.097 1.00 0.00 C ATOM 304 O SER A 22 2.310 11.053 -2.079 1.00 0.00 O ATOM 305 CB SER A 22 4.257 10.660 -4.422 1.00 0.00 C ATOM 306 OG SER A 22 4.808 10.010 -5.564 1.00 0.00 O ATOM 0 H SER A 22 1.852 9.381 -4.144 1.00 0.00 H new ATOM 0 HA SER A 22 4.610 8.995 -3.134 1.00 0.00 H new ATOM 0 HB2 SER A 22 3.422 11.289 -4.730 1.00 0.00 H new ATOM 0 HB3 SER A 22 5.007 11.318 -3.982 1.00 0.00 H new ATOM 0 HG SER A 22 5.101 10.683 -6.214 1.00 0.00 H new ATOM 312 N LEU A 23 4.165 10.251 -1.064 1.00 0.00 N ATOM 313 CA LEU A 23 3.881 10.891 0.209 1.00 0.00 C ATOM 314 C LEU A 23 4.640 12.217 0.288 1.00 0.00 C ATOM 315 O LEU A 23 5.448 12.420 1.193 1.00 0.00 O ATOM 316 CB LEU A 23 4.183 9.939 1.367 1.00 0.00 C ATOM 317 CG LEU A 23 3.100 8.906 1.686 1.00 0.00 C ATOM 318 CD1 LEU A 23 1.801 9.590 2.117 1.00 0.00 C ATOM 319 CD2 LEU A 23 2.884 7.956 0.507 1.00 0.00 C ATOM 0 H LEU A 23 5.025 9.703 -1.083 1.00 0.00 H new ATOM 0 HA LEU A 23 2.820 11.125 0.289 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.109 9.409 1.143 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.365 10.534 2.262 1.00 0.00 H new ATOM 0 HG LEU A 23 3.441 8.302 2.527 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.048 8.834 2.338 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.984 10.191 3.008 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.444 10.233 1.313 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.109 7.232 0.760 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.575 8.527 -0.368 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.814 7.431 0.288 1.00 0.00 H new ATOM 415 N GLY A 30 -5.297 8.098 2.619 1.00 0.00 N ATOM 416 CA GLY A 30 -6.467 8.057 3.480 1.00 0.00 C ATOM 417 C GLY A 30 -7.267 6.772 3.257 1.00 0.00 C ATOM 418 O GLY A 30 -8.470 6.734 3.508 1.00 0.00 O ATOM 0 HA2 GLY A 30 -6.158 8.121 4.523 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.099 8.922 3.282 1.00 0.00 H new ATOM 422 N CYS A 31 -6.566 5.750 2.788 1.00 0.00 N ATOM 423 CA CYS A 31 -7.196 4.467 2.528 1.00 0.00 C ATOM 424 C CYS A 31 -6.723 3.475 3.593 1.00 0.00 C ATOM 425 O CYS A 31 -5.654 3.649 4.177 1.00 0.00 O ATOM 426 CB CYS A 31 -6.900 3.968 1.112 1.00 0.00 C ATOM 427 SG CYS A 31 -5.093 3.826 0.863 1.00 0.00 S ATOM 0 H CYS A 31 -5.568 5.785 2.581 1.00 0.00 H new ATOM 0 HA CYS A 31 -8.279 4.573 2.586 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -7.375 3.000 0.952 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -7.323 4.655 0.380 1.00 0.00 H new ATOM 0 HG CYS A 31 -4.853 3.400 -0.341 1.00 0.00 H new ATOM 433 N SER A 32 -7.541 2.457 3.813 1.00 0.00 N ATOM 434 CA SER A 32 -7.220 1.438 4.798 1.00 0.00 C ATOM 435 C SER A 32 -6.986 0.095 4.103 1.00 0.00 C ATOM 436 O SER A 32 -7.671 -0.236 3.136 1.00 0.00 O ATOM 437 CB SER A 32 -8.332 1.309 5.841 1.00 0.00 C ATOM 438 OG SER A 32 -7.826 1.372 7.171 1.00 0.00 O ATOM 0 H SER A 32 -8.426 2.316 3.326 1.00 0.00 H new ATOM 0 HA SER A 32 -6.308 1.737 5.315 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.062 2.105 5.693 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.856 0.364 5.697 1.00 0.00 H new ATOM 0 HG SER A 32 -8.567 1.288 7.807 1.00 0.00 H new ATOM 444 N ILE A 33 -6.016 -0.643 4.624 1.00 0.00 N ATOM 445 CA ILE A 33 -5.684 -1.943 4.066 1.00 0.00 C ATOM 446 C ILE A 33 -6.103 -3.038 5.049 1.00 0.00 C ATOM 447 O ILE A 33 -6.023 -2.851 6.262 1.00 0.00 O ATOM 448 CB ILE A 33 -4.205 -1.997 3.679 1.00 0.00 C ATOM 449 CG1 ILE A 33 -3.312 -1.675 4.879 1.00 0.00 C ATOM 450 CG2 ILE A 33 -3.916 -1.082 2.487 1.00 0.00 C ATOM 451 CD1 ILE A 33 -1.928 -2.309 4.718 1.00 0.00 C ATOM 0 H ILE A 33 -5.450 -0.365 5.426 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.238 -2.114 3.143 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.971 -3.015 3.367 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.211 -0.595 4.982 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.779 -2.041 5.793 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.858 -1.139 2.233 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.513 -1.399 1.632 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -4.172 -0.055 2.747 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.313 -2.065 5.584 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.031 -3.391 4.639 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.454 -1.923 3.816 1.00 0.00 H new ATOM 463 N SER A 34 -6.539 -4.156 4.489 1.00 0.00 N ATOM 464 CA SER A 34 -6.970 -5.281 5.301 1.00 0.00 C ATOM 465 C SER A 34 -6.210 -6.544 4.892 1.00 0.00 C ATOM 466 O SER A 34 -5.610 -6.592 3.819 1.00 0.00 O ATOM 467 CB SER A 34 -8.479 -5.505 5.175 1.00 0.00 C ATOM 468 OG SER A 34 -8.817 -6.196 3.975 1.00 0.00 O ATOM 0 H SER A 34 -6.603 -4.307 3.482 1.00 0.00 H new ATOM 0 HA SER A 34 -6.749 -5.054 6.344 1.00 0.00 H new ATOM 0 HB2 SER A 34 -8.834 -6.075 6.034 1.00 0.00 H new ATOM 0 HB3 SER A 34 -8.992 -4.543 5.196 1.00 0.00 H new ATOM 0 HG SER A 34 -9.724 -5.948 3.699 1.00 0.00 H new ATOM 474 N SER A 35 -6.259 -7.536 5.769 1.00 0.00 N ATOM 475 CA SER A 35 -5.583 -8.796 5.513 1.00 0.00 C ATOM 476 C SER A 35 -6.558 -9.796 4.889 1.00 0.00 C ATOM 477 O SER A 35 -7.733 -9.830 5.250 1.00 0.00 O ATOM 478 CB SER A 35 -4.983 -9.370 6.798 1.00 0.00 C ATOM 479 OG SER A 35 -5.986 -9.856 7.685 1.00 0.00 O ATOM 0 H SER A 35 -6.757 -7.492 6.658 1.00 0.00 H new ATOM 0 HA SER A 35 -4.767 -8.611 4.815 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.297 -10.180 6.548 1.00 0.00 H new ATOM 0 HB3 SER A 35 -4.397 -8.600 7.300 1.00 0.00 H new ATOM 0 HG SER A 35 -5.562 -10.216 8.492 1.00 0.00 H new ATOM 485 N GLY A 36 -6.033 -10.587 3.963 1.00 0.00 N ATOM 486 CA GLY A 36 -6.843 -11.585 3.286 1.00 0.00 C ATOM 487 C GLY A 36 -6.677 -12.959 3.937 1.00 0.00 C ATOM 488 O GLY A 36 -5.732 -13.183 4.692 1.00 0.00 O ATOM 0 H GLY A 36 -5.058 -10.556 3.667 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -7.892 -11.289 3.316 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.557 -11.639 2.236 1.00 0.00 H new ATOM 492 N PRO A 37 -7.635 -13.868 3.614 1.00 0.00 N ATOM 493 CA PRO A 37 -7.605 -15.215 4.159 1.00 0.00 C ATOM 494 C PRO A 37 -6.525 -16.058 3.476 1.00 0.00 C ATOM 495 O PRO A 37 -5.642 -15.521 2.811 1.00 0.00 O ATOM 496 CB PRO A 37 -9.008 -15.759 3.944 1.00 0.00 C ATOM 497 CG PRO A 37 -9.637 -14.878 2.877 1.00 0.00 C ATOM 498 CD PRO A 37 -8.770 -13.639 2.724 1.00 0.00 C ATOM 0 HA PRO A 37 -7.343 -15.235 5.217 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -8.978 -16.800 3.623 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.585 -15.726 4.868 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -9.706 -15.415 1.931 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -10.652 -14.601 3.161 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -8.444 -13.509 1.692 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -9.316 -12.737 3.002 1.00 0.00 H new ATOM 506 N ILE A 38 -6.633 -17.365 3.665 1.00 0.00 N ATOM 507 CA ILE A 38 -5.678 -18.288 3.076 1.00 0.00 C ATOM 508 C ILE A 38 -6.023 -18.500 1.601 1.00 0.00 C ATOM 509 O ILE A 38 -5.137 -18.732 0.780 1.00 0.00 O ATOM 510 CB ILE A 38 -5.616 -19.585 3.886 1.00 0.00 C ATOM 511 CG1 ILE A 38 -4.696 -20.607 3.215 1.00 0.00 C ATOM 512 CG2 ILE A 38 -7.018 -20.147 4.128 1.00 0.00 C ATOM 513 CD1 ILE A 38 -3.328 -20.644 3.898 1.00 0.00 C ATOM 0 H ILE A 38 -7.368 -17.807 4.218 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.672 -17.869 3.111 1.00 0.00 H new ATOM 0 HB ILE A 38 -5.187 -19.359 4.862 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -5.154 -21.595 3.256 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.574 -20.355 2.162 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -6.946 -21.069 4.706 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.612 -19.418 4.680 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -7.497 -20.355 3.171 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.693 -21.378 3.402 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.863 -19.660 3.834 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -3.452 -20.920 4.945 1.00 0.00 H new ATOM 525 N GLN A 39 -7.313 -18.412 1.309 1.00 0.00 N ATOM 526 CA GLN A 39 -7.786 -18.591 -0.053 1.00 0.00 C ATOM 527 C GLN A 39 -7.572 -17.311 -0.862 1.00 0.00 C ATOM 528 O GLN A 39 -7.445 -17.358 -2.084 1.00 0.00 O ATOM 529 CB GLN A 39 -9.257 -19.013 -0.071 1.00 0.00 C ATOM 530 CG GLN A 39 -10.150 -17.909 0.499 1.00 0.00 C ATOM 531 CD GLN A 39 -11.199 -18.489 1.450 1.00 0.00 C ATOM 532 OE1 GLN A 39 -11.277 -18.140 2.616 1.00 0.00 O ATOM 533 NE2 GLN A 39 -11.997 -19.393 0.889 1.00 0.00 N ATOM 0 H GLN A 39 -8.045 -18.219 1.993 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.207 -19.390 -0.516 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -9.561 -19.241 -1.093 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -9.385 -19.926 0.511 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -9.538 -17.179 1.028 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -10.645 -17.380 -0.315 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -11.877 -19.639 -0.094 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -12.729 -19.840 1.441 1.00 0.00 H new ATOM 542 N LYS A 40 -7.539 -16.196 -0.147 1.00 0.00 N ATOM 543 CA LYS A 40 -7.343 -14.904 -0.783 1.00 0.00 C ATOM 544 C LYS A 40 -6.342 -14.085 0.034 1.00 0.00 C ATOM 545 O LYS A 40 -6.676 -13.015 0.540 1.00 0.00 O ATOM 546 CB LYS A 40 -8.685 -14.202 -0.994 1.00 0.00 C ATOM 547 CG LYS A 40 -8.486 -12.805 -1.587 1.00 0.00 C ATOM 548 CD LYS A 40 -9.293 -12.637 -2.876 1.00 0.00 C ATOM 549 CE LYS A 40 -8.386 -12.726 -4.106 1.00 0.00 C ATOM 550 NZ LYS A 40 -9.063 -13.462 -5.197 1.00 0.00 N ATOM 0 H LYS A 40 -7.645 -16.160 0.867 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.916 -15.030 -1.778 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.310 -14.798 -1.659 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.213 -14.126 -0.043 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.792 -12.051 -0.861 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.428 -12.640 -1.792 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.063 -13.407 -2.931 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.805 -11.675 -2.866 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.123 -11.724 -4.444 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -7.455 -13.229 -3.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.434 -13.513 -6.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.292 -14.424 -4.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.939 -12.966 -5.459 1.00 0.00 H new ATOM 564 N PRO A 41 -5.101 -14.632 0.140 1.00 0.00 N ATOM 565 CA PRO A 41 -4.049 -13.964 0.887 1.00 0.00 C ATOM 566 C PRO A 41 -3.494 -12.772 0.104 1.00 0.00 C ATOM 567 O PRO A 41 -3.440 -12.802 -1.124 1.00 0.00 O ATOM 568 CB PRO A 41 -3.008 -15.040 1.148 1.00 0.00 C ATOM 569 CG PRO A 41 -3.292 -16.147 0.146 1.00 0.00 C ATOM 570 CD PRO A 41 -4.669 -15.898 -0.446 1.00 0.00 C ATOM 0 HA PRO A 41 -4.404 -13.537 1.825 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -1.999 -14.647 1.020 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -3.078 -15.411 2.170 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -2.535 -16.155 -0.638 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -3.257 -17.121 0.633 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.627 -15.837 -1.534 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -5.359 -16.705 -0.198 1.00 0.00 H new ATOM 578 N GLY A 42 -3.094 -11.751 0.848 1.00 0.00 N ATOM 579 CA GLY A 42 -2.545 -10.552 0.240 1.00 0.00 C ATOM 580 C GLY A 42 -3.032 -9.296 0.966 1.00 0.00 C ATOM 581 O GLY A 42 -3.504 -9.374 2.099 1.00 0.00 O ATOM 0 H GLY A 42 -3.139 -11.730 1.867 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.456 -10.592 0.267 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.837 -10.506 -0.809 1.00 0.00 H new ATOM 585 N ILE A 43 -2.899 -8.168 0.284 1.00 0.00 N ATOM 586 CA ILE A 43 -3.320 -6.897 0.851 1.00 0.00 C ATOM 587 C ILE A 43 -4.436 -6.304 -0.011 1.00 0.00 C ATOM 588 O ILE A 43 -4.308 -6.227 -1.232 1.00 0.00 O ATOM 589 CB ILE A 43 -2.119 -5.966 1.028 1.00 0.00 C ATOM 590 CG1 ILE A 43 -1.074 -6.589 1.956 1.00 0.00 C ATOM 591 CG2 ILE A 43 -2.563 -4.584 1.510 1.00 0.00 C ATOM 592 CD1 ILE A 43 -1.517 -6.499 3.418 1.00 0.00 C ATOM 0 H ILE A 43 -2.506 -8.107 -0.655 1.00 0.00 H new ATOM 0 HA ILE A 43 -3.731 -7.043 1.850 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.646 -5.831 0.056 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.916 -7.633 1.684 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.119 -6.079 1.829 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.690 -3.942 1.628 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.241 -4.144 0.779 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -3.075 -4.680 2.468 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.757 -6.949 4.057 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.650 -5.453 3.694 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.460 -7.031 3.546 1.00 0.00 H new ATOM 604 N PHE A 44 -5.506 -5.900 0.658 1.00 0.00 N ATOM 605 CA PHE A 44 -6.643 -5.317 -0.031 1.00 0.00 C ATOM 606 C PHE A 44 -7.160 -4.083 0.711 1.00 0.00 C ATOM 607 O PHE A 44 -7.198 -4.064 1.940 1.00 0.00 O ATOM 608 CB PHE A 44 -7.744 -6.379 -0.058 1.00 0.00 C ATOM 609 CG PHE A 44 -7.249 -7.778 -0.432 1.00 0.00 C ATOM 610 CD1 PHE A 44 -6.420 -8.453 0.408 1.00 0.00 C ATOM 611 CD2 PHE A 44 -7.639 -8.346 -1.605 1.00 0.00 C ATOM 612 CE1 PHE A 44 -5.961 -9.751 0.061 1.00 0.00 C ATOM 613 CE2 PHE A 44 -7.180 -9.644 -1.952 1.00 0.00 C ATOM 614 CZ PHE A 44 -6.350 -10.319 -1.112 1.00 0.00 C ATOM 0 H PHE A 44 -5.609 -5.965 1.671 1.00 0.00 H new ATOM 0 HA PHE A 44 -6.351 -5.009 -1.035 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -8.217 -6.422 0.923 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -8.512 -6.074 -0.769 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -6.111 -8.002 1.339 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -8.298 -7.810 -2.272 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -5.303 -10.287 0.729 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -7.490 -10.095 -2.883 1.00 0.00 H new ATOM 0 HZ PHE A 44 -6.000 -11.306 -1.376 1.00 0.00 H new ATOM 624 N ILE A 45 -7.546 -3.082 -0.067 1.00 0.00 N ATOM 625 CA ILE A 45 -8.059 -1.847 0.501 1.00 0.00 C ATOM 626 C ILE A 45 -9.419 -2.115 1.148 1.00 0.00 C ATOM 627 O ILE A 45 -10.185 -2.948 0.668 1.00 0.00 O ATOM 628 CB ILE A 45 -8.087 -0.742 -0.556 1.00 0.00 C ATOM 629 CG1 ILE A 45 -6.681 -0.203 -0.825 1.00 0.00 C ATOM 630 CG2 ILE A 45 -9.061 0.370 -0.161 1.00 0.00 C ATOM 631 CD1 ILE A 45 -6.720 0.964 -1.813 1.00 0.00 C ATOM 0 H ILE A 45 -7.514 -3.101 -1.086 1.00 0.00 H new ATOM 0 HA ILE A 45 -7.397 -1.486 1.288 1.00 0.00 H new ATOM 0 HB ILE A 45 -8.450 -1.172 -1.489 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.228 0.124 0.111 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.052 -1.000 -1.223 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -9.062 1.143 -0.929 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -10.065 -0.044 -0.061 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -8.752 0.804 0.790 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.707 1.328 -1.986 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -7.151 0.628 -2.756 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -7.329 1.769 -1.402 1.00 0.00 H new ATOM 643 N SER A 46 -9.677 -1.392 2.228 1.00 0.00 N ATOM 644 CA SER A 46 -10.932 -1.541 2.946 1.00 0.00 C ATOM 645 C SER A 46 -11.779 -0.277 2.787 1.00 0.00 C ATOM 646 O SER A 46 -13.002 -0.355 2.677 1.00 0.00 O ATOM 647 CB SER A 46 -10.687 -1.833 4.428 1.00 0.00 C ATOM 648 OG SER A 46 -10.745 -0.651 5.221 1.00 0.00 O ATOM 0 H SER A 46 -9.039 -0.702 2.623 1.00 0.00 H new ATOM 0 HA SER A 46 -11.471 -2.388 2.521 1.00 0.00 H new ATOM 0 HB2 SER A 46 -11.430 -2.546 4.785 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.711 -2.303 4.548 1.00 0.00 H new ATOM 0 HG SER A 46 -10.476 -0.860 6.140 1.00 0.00 H new ATOM 654 N HIS A 47 -11.096 0.858 2.778 1.00 0.00 N ATOM 655 CA HIS A 47 -11.771 2.136 2.634 1.00 0.00 C ATOM 656 C HIS A 47 -10.827 3.143 1.973 1.00 0.00 C ATOM 657 O HIS A 47 -9.611 2.964 1.991 1.00 0.00 O ATOM 658 CB HIS A 47 -12.306 2.623 3.982 1.00 0.00 C ATOM 659 CG HIS A 47 -13.202 3.835 3.886 1.00 0.00 C ATOM 660 ND1 HIS A 47 -12.711 5.127 3.818 1.00 0.00 N ATOM 661 CD2 HIS A 47 -14.562 3.937 3.845 1.00 0.00 C ATOM 662 CE1 HIS A 47 -13.738 5.961 3.742 1.00 0.00 C ATOM 663 NE2 HIS A 47 -14.884 5.222 3.759 1.00 0.00 N ATOM 0 H HIS A 47 -10.082 0.919 2.868 1.00 0.00 H new ATOM 0 HA HIS A 47 -12.639 2.022 1.984 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -12.859 1.812 4.456 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -11.463 2.858 4.632 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -15.258 3.112 3.877 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -13.678 7.037 3.678 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -15.832 5.595 3.713 1.00 0.00 H new ATOM 671 N VAL A 48 -11.425 4.180 1.403 1.00 0.00 N ATOM 672 CA VAL A 48 -10.653 5.215 0.737 1.00 0.00 C ATOM 673 C VAL A 48 -11.272 6.581 1.040 1.00 0.00 C ATOM 674 O VAL A 48 -12.460 6.794 0.805 1.00 0.00 O ATOM 675 CB VAL A 48 -10.563 4.918 -0.761 1.00 0.00 C ATOM 676 CG1 VAL A 48 -10.100 6.152 -1.538 1.00 0.00 C ATOM 677 CG2 VAL A 48 -9.644 3.725 -1.030 1.00 0.00 C ATOM 0 H VAL A 48 -12.435 4.325 1.389 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.630 5.231 1.113 1.00 0.00 H new ATOM 0 HB VAL A 48 -11.562 4.657 -1.111 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -10.045 5.914 -2.600 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -10.809 6.965 -1.385 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -9.116 6.457 -1.183 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -9.598 3.536 -2.102 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -8.644 3.945 -0.657 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -10.035 2.843 -0.522 1.00 0.00 H new ATOM 730 N SER A 52 -7.917 11.415 -1.264 1.00 0.00 N ATOM 731 CA SER A 52 -6.749 10.803 -0.654 1.00 0.00 C ATOM 732 C SER A 52 -5.750 10.388 -1.736 1.00 0.00 C ATOM 733 O SER A 52 -6.073 10.402 -2.922 1.00 0.00 O ATOM 734 CB SER A 52 -7.141 9.593 0.197 1.00 0.00 C ATOM 735 OG SER A 52 -7.721 8.554 -0.587 1.00 0.00 O ATOM 0 HA SER A 52 -6.282 11.538 0.001 1.00 0.00 H new ATOM 0 HB2 SER A 52 -6.259 9.210 0.711 1.00 0.00 H new ATOM 0 HB3 SER A 52 -7.848 9.904 0.966 1.00 0.00 H new ATOM 0 HG SER A 52 -7.140 7.765 -0.566 1.00 0.00 H new ATOM 741 N LEU A 53 -4.555 10.029 -1.288 1.00 0.00 N ATOM 742 CA LEU A 53 -3.507 9.612 -2.203 1.00 0.00 C ATOM 743 C LEU A 53 -3.996 8.413 -3.019 1.00 0.00 C ATOM 744 O LEU A 53 -3.440 8.106 -4.072 1.00 0.00 O ATOM 745 CB LEU A 53 -2.206 9.348 -1.443 1.00 0.00 C ATOM 746 CG LEU A 53 -0.964 10.072 -1.967 1.00 0.00 C ATOM 747 CD1 LEU A 53 -0.899 10.014 -3.494 1.00 0.00 C ATOM 748 CD2 LEU A 53 -0.907 11.510 -1.446 1.00 0.00 C ATOM 0 H LEU A 53 -4.290 10.019 -0.303 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.280 10.409 -2.911 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.354 9.630 -0.401 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.011 8.276 -1.458 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.082 9.556 -1.587 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.007 10.536 -3.840 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.859 8.974 -3.817 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.784 10.491 -3.914 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.015 12.002 -1.833 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.793 12.052 -1.777 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.873 11.501 -0.357 1.00 0.00 H new ATOM 760 N SER A 54 -5.032 7.769 -2.502 1.00 0.00 N ATOM 761 CA SER A 54 -5.602 6.611 -3.169 1.00 0.00 C ATOM 762 C SER A 54 -6.757 7.045 -4.074 1.00 0.00 C ATOM 763 O SER A 54 -6.971 6.462 -5.136 1.00 0.00 O ATOM 764 CB SER A 54 -6.083 5.572 -2.155 1.00 0.00 C ATOM 765 OG SER A 54 -6.443 6.167 -0.911 1.00 0.00 O ATOM 0 H SER A 54 -5.491 8.027 -1.629 1.00 0.00 H new ATOM 0 HA SER A 54 -4.825 6.150 -3.778 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.941 5.037 -2.563 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.297 4.835 -1.990 1.00 0.00 H new ATOM 0 HG SER A 54 -5.656 6.210 -0.329 1.00 0.00 H new ATOM 771 N ALA A 55 -7.472 8.064 -3.620 1.00 0.00 N ATOM 772 CA ALA A 55 -8.600 8.583 -4.375 1.00 0.00 C ATOM 773 C ALA A 55 -8.083 9.334 -5.604 1.00 0.00 C ATOM 774 O ALA A 55 -8.643 9.209 -6.692 1.00 0.00 O ATOM 775 CB ALA A 55 -9.457 9.468 -3.468 1.00 0.00 C ATOM 0 H ALA A 55 -7.292 8.544 -2.738 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.233 7.769 -4.729 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -10.303 9.858 -4.034 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.823 8.880 -2.626 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.856 10.298 -3.096 1.00 0.00 H new ATOM 781 N GLU A 56 -7.022 10.097 -5.388 1.00 0.00 N ATOM 782 CA GLU A 56 -6.424 10.868 -6.465 1.00 0.00 C ATOM 783 C GLU A 56 -6.081 9.955 -7.644 1.00 0.00 C ATOM 784 O GLU A 56 -6.237 10.344 -8.801 1.00 0.00 O ATOM 785 CB GLU A 56 -5.185 11.622 -5.977 1.00 0.00 C ATOM 786 CG GLU A 56 -4.153 10.658 -5.387 1.00 0.00 C ATOM 787 CD GLU A 56 -2.808 11.356 -5.179 1.00 0.00 C ATOM 788 OE1 GLU A 56 -2.736 12.184 -4.246 1.00 0.00 O ATOM 789 OE2 GLU A 56 -1.881 11.045 -5.958 1.00 0.00 O ATOM 0 H GLU A 56 -6.561 10.198 -4.484 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.150 11.608 -6.803 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.741 12.173 -6.806 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.474 12.356 -5.225 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.516 10.269 -4.436 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.025 9.804 -6.053 1.00 0.00 H new ATOM 796 N VAL A 57 -5.620 8.758 -7.311 1.00 0.00 N ATOM 797 CA VAL A 57 -5.254 7.788 -8.328 1.00 0.00 C ATOM 798 C VAL A 57 -6.517 7.092 -8.841 1.00 0.00 C ATOM 799 O VAL A 57 -6.551 6.618 -9.976 1.00 0.00 O ATOM 800 CB VAL A 57 -4.218 6.810 -7.770 1.00 0.00 C ATOM 801 CG1 VAL A 57 -2.957 7.548 -7.316 1.00 0.00 C ATOM 802 CG2 VAL A 57 -4.807 5.979 -6.629 1.00 0.00 C ATOM 0 H VAL A 57 -5.492 8.438 -6.351 1.00 0.00 H new ATOM 0 HA VAL A 57 -4.788 8.285 -9.179 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.937 6.127 -8.571 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.237 6.830 -6.924 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.519 8.075 -8.164 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.216 8.265 -6.537 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.050 5.292 -6.251 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.130 6.641 -5.826 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.661 5.411 -6.996 1.00 0.00 H new ATOM 812 N GLY A 58 -7.523 7.053 -7.981 1.00 0.00 N ATOM 813 CA GLY A 58 -8.784 6.423 -8.332 1.00 0.00 C ATOM 814 C GLY A 58 -8.858 4.998 -7.780 1.00 0.00 C ATOM 815 O GLY A 58 -9.351 4.093 -8.452 1.00 0.00 O ATOM 0 H GLY A 58 -7.491 7.448 -7.041 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -9.611 7.013 -7.938 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.895 6.403 -9.416 1.00 0.00 H new ATOM 819 N LEU A 59 -8.362 4.843 -6.561 1.00 0.00 N ATOM 820 CA LEU A 59 -8.366 3.544 -5.911 1.00 0.00 C ATOM 821 C LEU A 59 -9.737 3.299 -5.278 1.00 0.00 C ATOM 822 O LEU A 59 -10.380 4.233 -4.802 1.00 0.00 O ATOM 823 CB LEU A 59 -7.203 3.436 -4.922 1.00 0.00 C ATOM 824 CG LEU A 59 -5.849 3.049 -5.519 1.00 0.00 C ATOM 825 CD1 LEU A 59 -4.735 3.175 -4.477 1.00 0.00 C ATOM 826 CD2 LEU A 59 -5.901 1.650 -6.136 1.00 0.00 C ATOM 0 H LEU A 59 -7.955 5.596 -6.007 1.00 0.00 H new ATOM 0 HA LEU A 59 -8.207 2.752 -6.642 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.093 4.394 -4.415 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.466 2.701 -4.161 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.618 3.747 -6.324 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.783 2.894 -4.927 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.680 4.205 -4.125 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.947 2.515 -3.636 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.926 1.400 -6.553 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.164 0.923 -5.368 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.650 1.629 -6.927 1.00 0.00 H new ATOM 838 N GLU A 60 -10.143 2.038 -5.293 1.00 0.00 N ATOM 839 CA GLU A 60 -11.426 1.659 -4.726 1.00 0.00 C ATOM 840 C GLU A 60 -11.282 0.383 -3.893 1.00 0.00 C ATOM 841 O GLU A 60 -10.301 -0.346 -4.032 1.00 0.00 O ATOM 842 CB GLU A 60 -12.479 1.482 -5.822 1.00 0.00 C ATOM 843 CG GLU A 60 -12.551 2.720 -6.718 1.00 0.00 C ATOM 844 CD GLU A 60 -13.667 2.582 -7.755 1.00 0.00 C ATOM 845 OE1 GLU A 60 -14.827 2.411 -7.321 1.00 0.00 O ATOM 846 OE2 GLU A 60 -13.336 2.651 -8.958 1.00 0.00 O ATOM 0 H GLU A 60 -9.606 1.266 -5.689 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.763 2.462 -4.070 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -12.238 0.606 -6.424 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -13.453 1.299 -5.369 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -12.725 3.606 -6.107 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.596 2.864 -7.223 1.00 0.00 H new ATOM 853 N ILE A 61 -12.275 0.153 -3.046 1.00 0.00 N ATOM 854 CA ILE A 61 -12.271 -1.022 -2.191 1.00 0.00 C ATOM 855 C ILE A 61 -12.169 -2.278 -3.058 1.00 0.00 C ATOM 856 O ILE A 61 -12.929 -2.442 -4.011 1.00 0.00 O ATOM 857 CB ILE A 61 -13.487 -1.013 -1.262 1.00 0.00 C ATOM 858 CG1 ILE A 61 -13.435 0.178 -0.303 1.00 0.00 C ATOM 859 CG2 ILE A 61 -13.619 -2.343 -0.518 1.00 0.00 C ATOM 860 CD1 ILE A 61 -14.824 0.493 0.256 1.00 0.00 C ATOM 0 H ILE A 61 -13.087 0.760 -2.934 1.00 0.00 H new ATOM 0 HA ILE A 61 -11.399 -1.014 -1.537 1.00 0.00 H new ATOM 0 HB ILE A 61 -14.382 -0.896 -1.872 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -12.750 -0.040 0.516 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -13.042 1.051 -0.823 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -14.491 -2.310 0.135 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -13.736 -3.153 -1.238 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -12.724 -2.516 0.080 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -14.759 1.343 0.935 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -15.500 0.734 -0.564 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -15.204 -0.374 0.796 1.00 0.00 H new ATOM 872 N GLY A 62 -11.224 -3.134 -2.696 1.00 0.00 N ATOM 873 CA GLY A 62 -11.013 -4.370 -3.429 1.00 0.00 C ATOM 874 C GLY A 62 -9.616 -4.406 -4.053 1.00 0.00 C ATOM 875 O GLY A 62 -9.003 -5.468 -4.149 1.00 0.00 O ATOM 0 H GLY A 62 -10.596 -2.995 -1.904 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -11.138 -5.220 -2.759 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.767 -4.467 -4.210 1.00 0.00 H new ATOM 879 N ASP A 63 -9.155 -3.233 -4.461 1.00 0.00 N ATOM 880 CA ASP A 63 -7.842 -3.117 -5.073 1.00 0.00 C ATOM 881 C ASP A 63 -6.813 -3.844 -4.204 1.00 0.00 C ATOM 882 O ASP A 63 -6.328 -3.293 -3.217 1.00 0.00 O ATOM 883 CB ASP A 63 -7.414 -1.653 -5.186 1.00 0.00 C ATOM 884 CG ASP A 63 -8.297 -0.789 -6.089 1.00 0.00 C ATOM 885 OD1 ASP A 63 -8.932 -1.376 -6.992 1.00 0.00 O ATOM 886 OD2 ASP A 63 -8.318 0.439 -5.856 1.00 0.00 O ATOM 0 H ASP A 63 -9.667 -2.355 -4.380 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.895 -3.555 -6.070 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -7.403 -1.215 -4.188 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -6.391 -1.617 -5.561 1.00 0.00 H new ATOM 891 N GLN A 64 -6.511 -5.071 -4.603 1.00 0.00 N ATOM 892 CA GLN A 64 -5.549 -5.879 -3.874 1.00 0.00 C ATOM 893 C GLN A 64 -4.124 -5.523 -4.301 1.00 0.00 C ATOM 894 O GLN A 64 -3.813 -5.513 -5.492 1.00 0.00 O ATOM 895 CB GLN A 64 -5.824 -7.371 -4.072 1.00 0.00 C ATOM 896 CG GLN A 64 -4.749 -8.222 -3.391 1.00 0.00 C ATOM 897 CD GLN A 64 -4.935 -9.705 -3.720 1.00 0.00 C ATOM 898 OE1 GLN A 64 -5.871 -10.106 -4.391 1.00 0.00 O ATOM 899 NE2 GLN A 64 -3.993 -10.494 -3.210 1.00 0.00 N ATOM 0 H GLN A 64 -6.916 -5.525 -5.422 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.654 -5.662 -2.811 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.803 -7.621 -3.664 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.854 -7.601 -5.137 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.761 -7.895 -3.715 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.794 -8.077 -2.312 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -3.236 -10.093 -2.657 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -4.028 -11.500 -3.372 1.00 0.00 H new ATOM 908 N ILE A 65 -3.295 -5.239 -3.307 1.00 0.00 N ATOM 909 CA ILE A 65 -1.910 -4.884 -3.566 1.00 0.00 C ATOM 910 C ILE A 65 -1.097 -6.157 -3.805 1.00 0.00 C ATOM 911 O ILE A 65 -0.850 -6.924 -2.875 1.00 0.00 O ATOM 912 CB ILE A 65 -1.363 -4.007 -2.437 1.00 0.00 C ATOM 913 CG1 ILE A 65 -2.123 -2.682 -2.354 1.00 0.00 C ATOM 914 CG2 ILE A 65 0.145 -3.794 -2.590 1.00 0.00 C ATOM 915 CD1 ILE A 65 -1.911 -2.013 -0.995 1.00 0.00 C ATOM 0 H ILE A 65 -3.556 -5.248 -2.321 1.00 0.00 H new ATOM 0 HA ILE A 65 -1.833 -4.283 -4.472 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.521 -4.528 -1.493 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.787 -2.015 -3.148 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.187 -2.858 -2.515 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.508 -3.168 -1.775 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.653 -4.758 -2.561 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.349 -3.305 -3.542 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.462 -1.073 -0.962 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.271 -2.672 -0.205 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -0.849 -1.816 -0.848 1.00 0.00 H new ATOM 927 N VAL A 66 -0.702 -6.343 -5.056 1.00 0.00 N ATOM 928 CA VAL A 66 0.078 -7.511 -5.429 1.00 0.00 C ATOM 929 C VAL A 66 1.561 -7.137 -5.464 1.00 0.00 C ATOM 930 O VAL A 66 2.426 -7.999 -5.312 1.00 0.00 O ATOM 931 CB VAL A 66 -0.428 -8.076 -6.758 1.00 0.00 C ATOM 932 CG1 VAL A 66 -1.934 -8.341 -6.703 1.00 0.00 C ATOM 933 CG2 VAL A 66 -0.077 -7.143 -7.919 1.00 0.00 C ATOM 0 H VAL A 66 -0.908 -5.704 -5.824 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.041 -8.303 -4.689 1.00 0.00 H new ATOM 0 HB VAL A 66 0.073 -9.028 -6.930 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.268 -8.742 -7.660 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.148 -9.061 -5.913 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.460 -7.409 -6.497 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.448 -7.568 -8.852 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.538 -6.169 -7.755 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.005 -7.027 -7.978 1.00 0.00 H new ATOM 943 N GLU A 67 1.810 -5.852 -5.666 1.00 0.00 N ATOM 944 CA GLU A 67 3.174 -5.354 -5.723 1.00 0.00 C ATOM 945 C GLU A 67 3.225 -3.893 -5.271 1.00 0.00 C ATOM 946 O GLU A 67 2.235 -3.171 -5.378 1.00 0.00 O ATOM 947 CB GLU A 67 3.758 -5.514 -7.129 1.00 0.00 C ATOM 948 CG GLU A 67 5.098 -4.786 -7.252 1.00 0.00 C ATOM 949 CD GLU A 67 5.654 -4.897 -8.673 1.00 0.00 C ATOM 950 OE1 GLU A 67 5.027 -4.301 -9.575 1.00 0.00 O ATOM 951 OE2 GLU A 67 6.693 -5.575 -8.825 1.00 0.00 O ATOM 0 H GLU A 67 1.090 -5.140 -5.792 1.00 0.00 H new ATOM 0 HA GLU A 67 3.785 -5.946 -5.042 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.893 -6.572 -7.352 1.00 0.00 H new ATOM 0 HB3 GLU A 67 3.057 -5.120 -7.865 1.00 0.00 H new ATOM 0 HG2 GLU A 67 4.971 -3.736 -6.988 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.812 -5.208 -6.544 1.00 0.00 H new ATOM 958 N VAL A 68 4.390 -3.501 -4.775 1.00 0.00 N ATOM 959 CA VAL A 68 4.583 -2.140 -4.306 1.00 0.00 C ATOM 960 C VAL A 68 6.059 -1.761 -4.446 1.00 0.00 C ATOM 961 O VAL A 68 6.917 -2.335 -3.776 1.00 0.00 O ATOM 962 CB VAL A 68 4.063 -2.001 -2.873 1.00 0.00 C ATOM 963 CG1 VAL A 68 4.290 -0.584 -2.343 1.00 0.00 C ATOM 964 CG2 VAL A 68 2.586 -2.390 -2.786 1.00 0.00 C ATOM 0 H VAL A 68 5.209 -4.102 -4.688 1.00 0.00 H new ATOM 0 HA VAL A 68 4.009 -1.442 -4.915 1.00 0.00 H new ATOM 0 HB VAL A 68 4.628 -2.688 -2.243 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.912 -0.512 -1.323 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.356 -0.359 -2.351 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.764 0.130 -2.976 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.241 -2.282 -1.758 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.000 -1.740 -3.435 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.463 -3.426 -3.103 1.00 0.00 H new ATOM 974 N ASN A 69 6.309 -0.798 -5.320 1.00 0.00 N ATOM 975 CA ASN A 69 7.667 -0.336 -5.556 1.00 0.00 C ATOM 976 C ASN A 69 8.536 -1.519 -5.986 1.00 0.00 C ATOM 977 O ASN A 69 9.760 -1.467 -5.877 1.00 0.00 O ATOM 978 CB ASN A 69 8.275 0.260 -4.285 1.00 0.00 C ATOM 979 CG ASN A 69 8.815 1.668 -4.543 1.00 0.00 C ATOM 980 OD1 ASN A 69 8.851 2.151 -5.663 1.00 0.00 O ATOM 981 ND2 ASN A 69 9.231 2.297 -3.448 1.00 0.00 N ATOM 0 H ASN A 69 5.595 -0.325 -5.874 1.00 0.00 H new ATOM 0 HA ASN A 69 7.633 0.429 -6.332 1.00 0.00 H new ATOM 0 HB2 ASN A 69 7.521 0.294 -3.499 1.00 0.00 H new ATOM 0 HB3 ASN A 69 9.080 -0.382 -3.927 1.00 0.00 H new ATOM 0 HD21 ASN A 69 9.609 3.242 -3.515 1.00 0.00 H new ATOM 0 HD22 ASN A 69 9.173 1.834 -2.541 1.00 0.00 H new ATOM 988 N GLY A 70 7.869 -2.559 -6.467 1.00 0.00 N ATOM 989 CA GLY A 70 8.565 -3.753 -6.914 1.00 0.00 C ATOM 990 C GLY A 70 8.578 -4.822 -5.820 1.00 0.00 C ATOM 991 O GLY A 70 9.123 -5.908 -6.014 1.00 0.00 O ATOM 0 H GLY A 70 6.854 -2.599 -6.557 1.00 0.00 H new ATOM 0 HA2 GLY A 70 8.081 -4.148 -7.807 1.00 0.00 H new ATOM 0 HA3 GLY A 70 9.588 -3.499 -7.192 1.00 0.00 H new ATOM 995 N VAL A 71 7.972 -4.478 -4.693 1.00 0.00 N ATOM 996 CA VAL A 71 7.907 -5.394 -3.568 1.00 0.00 C ATOM 997 C VAL A 71 6.860 -6.473 -3.854 1.00 0.00 C ATOM 998 O VAL A 71 5.848 -6.205 -4.499 1.00 0.00 O ATOM 999 CB VAL A 71 7.630 -4.620 -2.278 1.00 0.00 C ATOM 1000 CG1 VAL A 71 7.560 -5.564 -1.076 1.00 0.00 C ATOM 1001 CG2 VAL A 71 8.680 -3.529 -2.057 1.00 0.00 C ATOM 0 H VAL A 71 7.521 -3.577 -4.535 1.00 0.00 H new ATOM 0 HA VAL A 71 8.864 -5.898 -3.430 1.00 0.00 H new ATOM 0 HB VAL A 71 6.659 -4.135 -2.381 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.362 -4.988 -0.172 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.759 -6.288 -1.228 1.00 0.00 H new ATOM 0 HG13 VAL A 71 8.509 -6.090 -0.971 1.00 0.00 H new ATOM 0 HG21 VAL A 71 8.460 -2.994 -1.133 1.00 0.00 H new ATOM 0 HG22 VAL A 71 9.668 -3.984 -1.986 1.00 0.00 H new ATOM 0 HG23 VAL A 71 8.661 -2.831 -2.894 1.00 0.00 H new ATOM 1011 N ASP A 72 7.141 -7.670 -3.360 1.00 0.00 N ATOM 1012 CA ASP A 72 6.236 -8.790 -3.554 1.00 0.00 C ATOM 1013 C ASP A 72 5.166 -8.772 -2.462 1.00 0.00 C ATOM 1014 O ASP A 72 5.329 -9.400 -1.417 1.00 0.00 O ATOM 1015 CB ASP A 72 6.982 -10.123 -3.463 1.00 0.00 C ATOM 1016 CG ASP A 72 6.396 -11.252 -4.313 1.00 0.00 C ATOM 1017 OD1 ASP A 72 5.153 -11.379 -4.308 1.00 0.00 O ATOM 1018 OD2 ASP A 72 7.205 -11.962 -4.949 1.00 0.00 O ATOM 0 H ASP A 72 7.982 -7.888 -2.826 1.00 0.00 H new ATOM 0 HA ASP A 72 5.788 -8.694 -4.543 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.018 -9.963 -3.762 1.00 0.00 H new ATOM 0 HB3 ASP A 72 6.997 -10.443 -2.421 1.00 0.00 H new ATOM 1023 N PHE A 73 4.094 -8.044 -2.740 1.00 0.00 N ATOM 1024 CA PHE A 73 2.997 -7.935 -1.793 1.00 0.00 C ATOM 1025 C PHE A 73 2.001 -9.082 -1.974 1.00 0.00 C ATOM 1026 O PHE A 73 0.790 -8.871 -1.927 1.00 0.00 O ATOM 1027 CB PHE A 73 2.288 -6.610 -2.080 1.00 0.00 C ATOM 1028 CG PHE A 73 2.769 -5.446 -1.211 1.00 0.00 C ATOM 1029 CD1 PHE A 73 4.094 -5.142 -1.155 1.00 0.00 C ATOM 1030 CD2 PHE A 73 1.873 -4.716 -0.496 1.00 0.00 C ATOM 1031 CE1 PHE A 73 4.540 -4.062 -0.348 1.00 0.00 C ATOM 1032 CE2 PHE A 73 2.319 -3.635 0.311 1.00 0.00 C ATOM 1033 CZ PHE A 73 3.644 -3.331 0.367 1.00 0.00 C ATOM 0 H PHE A 73 3.962 -7.524 -3.607 1.00 0.00 H new ATOM 0 HA PHE A 73 3.380 -7.979 -0.773 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.434 -6.351 -3.129 1.00 0.00 H new ATOM 0 HB3 PHE A 73 1.217 -6.743 -1.930 1.00 0.00 H new ATOM 0 HD1 PHE A 73 4.806 -5.722 -1.724 1.00 0.00 H new ATOM 0 HD2 PHE A 73 0.821 -4.958 -0.541 1.00 0.00 H new ATOM 0 HE1 PHE A 73 5.592 -3.821 -0.302 1.00 0.00 H new ATOM 0 HE2 PHE A 73 1.607 -3.055 0.879 1.00 0.00 H new ATOM 0 HZ PHE A 73 3.984 -2.509 0.979 1.00 0.00 H new ATOM 1043 N SER A 74 2.547 -10.272 -2.177 1.00 0.00 N ATOM 1044 CA SER A 74 1.722 -11.452 -2.366 1.00 0.00 C ATOM 1045 C SER A 74 1.221 -11.962 -1.013 1.00 0.00 C ATOM 1046 O SER A 74 0.026 -11.907 -0.728 1.00 0.00 O ATOM 1047 CB SER A 74 2.494 -12.554 -3.095 1.00 0.00 C ATOM 1048 OG SER A 74 1.854 -13.822 -2.978 1.00 0.00 O ATOM 0 H SER A 74 3.552 -10.444 -2.215 1.00 0.00 H new ATOM 0 HA SER A 74 0.867 -11.176 -2.983 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.590 -12.293 -4.149 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.503 -12.619 -2.689 1.00 0.00 H new ATOM 0 HG SER A 74 2.377 -14.498 -3.458 1.00 0.00 H new ATOM 1054 N ASN A 75 2.161 -12.447 -0.214 1.00 0.00 N ATOM 1055 CA ASN A 75 1.830 -12.966 1.102 1.00 0.00 C ATOM 1056 C ASN A 75 2.456 -12.068 2.171 1.00 0.00 C ATOM 1057 O ASN A 75 3.112 -12.556 3.090 1.00 0.00 O ATOM 1058 CB ASN A 75 2.381 -14.381 1.290 1.00 0.00 C ATOM 1059 CG ASN A 75 3.794 -14.500 0.716 1.00 0.00 C ATOM 1060 OD1 ASN A 75 4.694 -13.748 1.052 1.00 0.00 O ATOM 1061 ND2 ASN A 75 3.938 -15.484 -0.167 1.00 0.00 N ATOM 0 H ASN A 75 3.152 -12.491 -0.453 1.00 0.00 H new ATOM 0 HA ASN A 75 0.744 -12.987 1.194 1.00 0.00 H new ATOM 0 HB2 ASN A 75 2.393 -14.632 2.351 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.724 -15.099 0.800 1.00 0.00 H new ATOM 0 HD21 ASN A 75 4.844 -15.645 -0.608 1.00 0.00 H new ATOM 0 HD22 ASN A 75 3.143 -16.077 -0.404 1.00 0.00 H new ATOM 1068 N LEU A 76 2.230 -10.772 2.017 1.00 0.00 N ATOM 1069 CA LEU A 76 2.763 -9.802 2.958 1.00 0.00 C ATOM 1070 C LEU A 76 1.893 -9.787 4.216 1.00 0.00 C ATOM 1071 O LEU A 76 1.059 -10.670 4.409 1.00 0.00 O ATOM 1072 CB LEU A 76 2.905 -8.432 2.292 1.00 0.00 C ATOM 1073 CG LEU A 76 4.300 -8.081 1.769 1.00 0.00 C ATOM 1074 CD1 LEU A 76 4.351 -6.635 1.271 1.00 0.00 C ATOM 1075 CD2 LEU A 76 5.368 -8.360 2.828 1.00 0.00 C ATOM 0 H LEU A 76 1.685 -10.371 1.254 1.00 0.00 H new ATOM 0 HA LEU A 76 3.769 -10.085 3.269 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.203 -8.380 1.460 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.605 -7.668 3.010 1.00 0.00 H new ATOM 0 HG LEU A 76 4.517 -8.723 0.915 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.353 -6.411 0.905 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.632 -6.503 0.463 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.105 -5.959 2.090 1.00 0.00 H new ATOM 0 HD21 LEU A 76 6.350 -8.102 2.431 1.00 0.00 H new ATOM 0 HD22 LEU A 76 5.166 -7.760 3.715 1.00 0.00 H new ATOM 0 HD23 LEU A 76 5.350 -9.417 3.093 1.00 0.00 H new ATOM 1087 N ASP A 77 2.117 -8.774 5.040 1.00 0.00 N ATOM 1088 CA ASP A 77 1.364 -8.632 6.274 1.00 0.00 C ATOM 1089 C ASP A 77 0.954 -7.169 6.451 1.00 0.00 C ATOM 1090 O ASP A 77 1.394 -6.301 5.698 1.00 0.00 O ATOM 1091 CB ASP A 77 2.209 -9.036 7.484 1.00 0.00 C ATOM 1092 CG ASP A 77 1.441 -9.140 8.803 1.00 0.00 C ATOM 1093 OD1 ASP A 77 0.787 -10.188 8.998 1.00 0.00 O ATOM 1094 OD2 ASP A 77 1.525 -8.170 9.587 1.00 0.00 O ATOM 0 H ASP A 77 2.810 -8.043 4.877 1.00 0.00 H new ATOM 0 HA ASP A 77 0.490 -9.280 6.212 1.00 0.00 H new ATOM 0 HB2 ASP A 77 2.677 -9.998 7.276 1.00 0.00 H new ATOM 0 HB3 ASP A 77 3.013 -8.310 7.605 1.00 0.00 H new ATOM 1099 N HIS A 78 0.115 -6.939 7.451 1.00 0.00 N ATOM 1100 CA HIS A 78 -0.359 -5.596 7.737 1.00 0.00 C ATOM 1101 C HIS A 78 0.776 -4.768 8.342 1.00 0.00 C ATOM 1102 O HIS A 78 0.628 -3.566 8.553 1.00 0.00 O ATOM 1103 CB HIS A 78 -1.603 -5.637 8.628 1.00 0.00 C ATOM 1104 CG HIS A 78 -2.234 -4.286 8.863 1.00 0.00 C ATOM 1105 ND1 HIS A 78 -1.747 -3.382 9.791 1.00 0.00 N ATOM 1106 CD2 HIS A 78 -3.317 -3.695 8.282 1.00 0.00 C ATOM 1107 CE1 HIS A 78 -2.511 -2.300 9.761 1.00 0.00 C ATOM 1108 NE2 HIS A 78 -3.484 -2.496 8.826 1.00 0.00 N ATOM 0 H HIS A 78 -0.249 -7.661 8.073 1.00 0.00 H new ATOM 0 HA HIS A 78 -0.662 -5.109 6.810 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -2.341 -6.297 8.173 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -1.334 -6.073 9.590 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -3.934 -4.129 7.510 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -2.385 -1.417 10.370 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -4.219 -1.831 8.585 1.00 0.00 H new ATOM 1116 N LYS A 79 1.885 -5.445 8.603 1.00 0.00 N ATOM 1117 CA LYS A 79 3.045 -4.788 9.180 1.00 0.00 C ATOM 1118 C LYS A 79 4.136 -4.662 8.114 1.00 0.00 C ATOM 1119 O LYS A 79 4.860 -3.668 8.077 1.00 0.00 O ATOM 1120 CB LYS A 79 3.502 -5.518 10.444 1.00 0.00 C ATOM 1121 CG LYS A 79 2.450 -5.409 11.550 1.00 0.00 C ATOM 1122 CD LYS A 79 3.003 -4.652 12.760 1.00 0.00 C ATOM 1123 CE LYS A 79 2.383 -5.170 14.060 1.00 0.00 C ATOM 1124 NZ LYS A 79 2.142 -4.052 15.000 1.00 0.00 N ATOM 0 H LYS A 79 2.004 -6.442 8.425 1.00 0.00 H new ATOM 0 HA LYS A 79 2.791 -3.777 9.499 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.687 -6.568 10.215 1.00 0.00 H new ATOM 0 HB3 LYS A 79 4.445 -5.096 10.791 1.00 0.00 H new ATOM 0 HG2 LYS A 79 1.567 -4.896 11.168 1.00 0.00 H new ATOM 0 HG3 LYS A 79 2.132 -6.406 11.854 1.00 0.00 H new ATOM 0 HD2 LYS A 79 4.087 -4.764 12.800 1.00 0.00 H new ATOM 0 HD3 LYS A 79 2.796 -3.587 12.653 1.00 0.00 H new ATOM 0 HE2 LYS A 79 1.444 -5.680 13.844 1.00 0.00 H new ATOM 0 HE3 LYS A 79 3.046 -5.903 14.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 1.721 -4.420 15.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 3.044 -3.582 15.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 1.492 -3.367 14.565 1.00 0.00 H new ATOM 1138 N GLU A 80 4.219 -5.683 7.275 1.00 0.00 N ATOM 1139 CA GLU A 80 5.210 -5.699 6.212 1.00 0.00 C ATOM 1140 C GLU A 80 4.745 -4.832 5.040 1.00 0.00 C ATOM 1141 O GLU A 80 5.552 -4.153 4.407 1.00 0.00 O ATOM 1142 CB GLU A 80 5.499 -7.130 5.754 1.00 0.00 C ATOM 1143 CG GLU A 80 6.121 -7.952 6.884 1.00 0.00 C ATOM 1144 CD GLU A 80 7.600 -8.233 6.609 1.00 0.00 C ATOM 1145 OE1 GLU A 80 7.876 -8.824 5.542 1.00 0.00 O ATOM 1146 OE2 GLU A 80 8.421 -7.851 7.470 1.00 0.00 O ATOM 0 H GLU A 80 3.617 -6.505 7.309 1.00 0.00 H new ATOM 0 HA GLU A 80 6.139 -5.282 6.601 1.00 0.00 H new ATOM 0 HB2 GLU A 80 4.575 -7.603 5.422 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.174 -7.112 4.898 1.00 0.00 H new ATOM 0 HG2 GLU A 80 6.019 -7.416 7.827 1.00 0.00 H new ATOM 0 HG3 GLU A 80 5.582 -8.893 6.992 1.00 0.00 H new ATOM 1153 N ALA A 81 3.445 -4.883 4.787 1.00 0.00 N ATOM 1154 CA ALA A 81 2.863 -4.111 3.702 1.00 0.00 C ATOM 1155 C ALA A 81 2.837 -2.631 4.092 1.00 0.00 C ATOM 1156 O ALA A 81 2.859 -1.757 3.227 1.00 0.00 O ATOM 1157 CB ALA A 81 1.470 -4.653 3.379 1.00 0.00 C ATOM 0 H ALA A 81 2.779 -5.447 5.315 1.00 0.00 H new ATOM 0 HA ALA A 81 3.466 -4.204 2.799 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.034 -4.074 2.565 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.547 -5.698 3.080 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.835 -4.574 4.261 1.00 0.00 H new ATOM 1163 N VAL A 82 2.791 -2.397 5.395 1.00 0.00 N ATOM 1164 CA VAL A 82 2.762 -1.038 5.911 1.00 0.00 C ATOM 1165 C VAL A 82 4.189 -0.493 5.979 1.00 0.00 C ATOM 1166 O VAL A 82 4.442 0.647 5.591 1.00 0.00 O ATOM 1167 CB VAL A 82 2.043 -1.006 7.261 1.00 0.00 C ATOM 1168 CG1 VAL A 82 2.454 0.225 8.071 1.00 0.00 C ATOM 1169 CG2 VAL A 82 0.526 -1.060 7.077 1.00 0.00 C ATOM 0 H VAL A 82 2.773 -3.125 6.109 1.00 0.00 H new ATOM 0 HA VAL A 82 2.198 -0.387 5.243 1.00 0.00 H new ATOM 0 HB VAL A 82 2.343 -1.892 7.821 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.929 0.224 9.026 1.00 0.00 H new ATOM 0 HG12 VAL A 82 3.529 0.202 8.248 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.197 1.128 7.517 1.00 0.00 H new ATOM 0 HG21 VAL A 82 0.040 -1.036 8.052 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.200 -0.203 6.488 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.255 -1.980 6.559 1.00 0.00 H new ATOM 1179 N ASN A 83 5.086 -1.332 6.476 1.00 0.00 N ATOM 1180 CA ASN A 83 6.482 -0.948 6.601 1.00 0.00 C ATOM 1181 C ASN A 83 7.037 -0.603 5.218 1.00 0.00 C ATOM 1182 O ASN A 83 7.728 0.401 5.055 1.00 0.00 O ATOM 1183 CB ASN A 83 7.319 -2.093 7.174 1.00 0.00 C ATOM 1184 CG ASN A 83 8.775 -1.664 7.368 1.00 0.00 C ATOM 1185 OD1 ASN A 83 9.142 -1.048 8.355 1.00 0.00 O ATOM 1186 ND2 ASN A 83 9.581 -2.024 6.373 1.00 0.00 N ATOM 0 H ASN A 83 4.873 -2.277 6.797 1.00 0.00 H new ATOM 0 HA ASN A 83 6.537 -0.090 7.272 1.00 0.00 H new ATOM 0 HB2 ASN A 83 6.900 -2.412 8.128 1.00 0.00 H new ATOM 0 HB3 ASN A 83 7.275 -2.951 6.503 1.00 0.00 H new ATOM 0 HD21 ASN A 83 10.572 -1.785 6.408 1.00 0.00 H new ATOM 0 HD22 ASN A 83 9.208 -2.539 5.575 1.00 0.00 H new ATOM 1193 N VAL A 84 6.714 -1.456 4.256 1.00 0.00 N ATOM 1194 CA VAL A 84 7.172 -1.254 2.892 1.00 0.00 C ATOM 1195 C VAL A 84 6.464 -0.035 2.296 1.00 0.00 C ATOM 1196 O VAL A 84 7.006 0.634 1.418 1.00 0.00 O ATOM 1197 CB VAL A 84 6.958 -2.529 2.074 1.00 0.00 C ATOM 1198 CG1 VAL A 84 7.369 -2.320 0.615 1.00 0.00 C ATOM 1199 CG2 VAL A 84 7.709 -3.710 2.692 1.00 0.00 C ATOM 0 H VAL A 84 6.141 -2.288 4.395 1.00 0.00 H new ATOM 0 HA VAL A 84 8.242 -1.049 2.875 1.00 0.00 H new ATOM 0 HB VAL A 84 5.894 -2.763 2.092 1.00 0.00 H new ATOM 0 HG11 VAL A 84 7.207 -3.241 0.056 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.770 -1.521 0.179 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.424 -2.049 0.569 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.540 -4.603 2.091 1.00 0.00 H new ATOM 0 HG22 VAL A 84 8.776 -3.488 2.720 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.347 -3.881 3.706 1.00 0.00 H new ATOM 1209 N LEU A 85 5.264 0.216 2.798 1.00 0.00 N ATOM 1210 CA LEU A 85 4.477 1.342 2.326 1.00 0.00 C ATOM 1211 C LEU A 85 5.002 2.630 2.966 1.00 0.00 C ATOM 1212 O LEU A 85 5.078 3.667 2.309 1.00 0.00 O ATOM 1213 CB LEU A 85 2.987 1.096 2.574 1.00 0.00 C ATOM 1214 CG LEU A 85 2.252 0.292 1.500 1.00 0.00 C ATOM 1215 CD1 LEU A 85 0.845 -0.086 1.964 1.00 0.00 C ATOM 1216 CD2 LEU A 85 2.234 1.045 0.168 1.00 0.00 C ATOM 0 H LEU A 85 4.818 -0.341 3.527 1.00 0.00 H new ATOM 0 HA LEU A 85 4.583 1.455 1.247 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.878 0.577 3.526 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.492 2.062 2.679 1.00 0.00 H new ATOM 0 HG LEU A 85 2.797 -0.638 1.337 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.345 -0.657 1.182 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.910 -0.690 2.869 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.275 0.819 2.173 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.706 0.452 -0.578 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.727 2.001 0.297 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.257 1.219 -0.165 1.00 0.00 H new ATOM 1228 N LYS A 86 5.350 2.520 4.239 1.00 0.00 N ATOM 1229 CA LYS A 86 5.865 3.663 4.974 1.00 0.00 C ATOM 1230 C LYS A 86 7.377 3.761 4.762 1.00 0.00 C ATOM 1231 O LYS A 86 8.020 4.680 5.265 1.00 0.00 O ATOM 1232 CB LYS A 86 5.456 3.582 6.446 1.00 0.00 C ATOM 1233 CG LYS A 86 6.513 2.844 7.270 1.00 0.00 C ATOM 1234 CD LYS A 86 6.080 2.720 8.732 1.00 0.00 C ATOM 1235 CE LYS A 86 4.942 1.709 8.884 1.00 0.00 C ATOM 1236 NZ LYS A 86 5.017 1.037 10.201 1.00 0.00 N ATOM 0 H LYS A 86 5.286 1.658 4.780 1.00 0.00 H new ATOM 0 HA LYS A 86 5.428 4.587 4.595 1.00 0.00 H new ATOM 0 HB2 LYS A 86 5.316 4.587 6.844 1.00 0.00 H new ATOM 0 HB3 LYS A 86 4.498 3.069 6.533 1.00 0.00 H new ATOM 0 HG2 LYS A 86 6.679 1.852 6.851 1.00 0.00 H new ATOM 0 HG3 LYS A 86 7.462 3.377 7.212 1.00 0.00 H new ATOM 0 HD2 LYS A 86 6.929 2.411 9.341 1.00 0.00 H new ATOM 0 HD3 LYS A 86 5.759 3.693 9.103 1.00 0.00 H new ATOM 0 HE2 LYS A 86 3.982 2.215 8.782 1.00 0.00 H new ATOM 0 HE3 LYS A 86 4.998 0.967 8.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 4.237 0.354 10.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 5.925 0.538 10.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 4.941 1.747 10.958 1.00 0.00 H new ATOM 1250 N SER A 87 7.901 2.800 4.015 1.00 0.00 N ATOM 1251 CA SER A 87 9.325 2.766 3.729 1.00 0.00 C ATOM 1252 C SER A 87 9.775 4.110 3.153 1.00 0.00 C ATOM 1253 O SER A 87 10.522 4.846 3.796 1.00 0.00 O ATOM 1254 CB SER A 87 9.666 1.633 2.759 1.00 0.00 C ATOM 1255 OG SER A 87 11.018 1.204 2.894 1.00 0.00 O ATOM 0 H SER A 87 7.364 2.039 3.599 1.00 0.00 H new ATOM 0 HA SER A 87 9.856 2.581 4.663 1.00 0.00 H new ATOM 0 HB2 SER A 87 8.999 0.790 2.937 1.00 0.00 H new ATOM 0 HB3 SER A 87 9.492 1.967 1.736 1.00 0.00 H new ATOM 0 HG SER A 87 11.196 0.479 2.259 1.00 0.00 H new ATOM 1261 N SER A 88 9.302 4.390 1.948 1.00 0.00 N ATOM 1262 CA SER A 88 9.646 5.633 1.278 1.00 0.00 C ATOM 1263 C SER A 88 8.380 6.444 0.997 1.00 0.00 C ATOM 1264 O SER A 88 7.282 6.041 1.380 1.00 0.00 O ATOM 1265 CB SER A 88 10.405 5.365 -0.023 1.00 0.00 C ATOM 1266 OG SER A 88 11.460 6.301 -0.228 1.00 0.00 O ATOM 0 H SER A 88 8.683 3.777 1.418 1.00 0.00 H new ATOM 0 HA SER A 88 10.298 6.207 1.936 1.00 0.00 H new ATOM 0 HB2 SER A 88 10.815 4.355 -0.002 1.00 0.00 H new ATOM 0 HB3 SER A 88 9.712 5.410 -0.863 1.00 0.00 H new ATOM 0 HG SER A 88 11.921 6.095 -1.068 1.00 0.00 H new ATOM 1272 N ARG A 89 8.574 7.572 0.330 1.00 0.00 N ATOM 1273 CA ARG A 89 7.461 8.444 -0.007 1.00 0.00 C ATOM 1274 C ARG A 89 6.824 8.004 -1.326 1.00 0.00 C ATOM 1275 O ARG A 89 5.621 7.754 -1.386 1.00 0.00 O ATOM 1276 CB ARG A 89 7.918 9.899 -0.129 1.00 0.00 C ATOM 1277 CG ARG A 89 8.762 10.312 1.079 1.00 0.00 C ATOM 1278 CD ARG A 89 7.875 10.815 2.221 1.00 0.00 C ATOM 1279 NE ARG A 89 8.523 10.541 3.523 1.00 0.00 N ATOM 1280 CZ ARG A 89 8.643 9.320 4.061 1.00 0.00 C ATOM 1281 NH1 ARG A 89 8.160 8.252 3.412 1.00 0.00 N ATOM 1282 NH2 ARG A 89 9.246 9.167 5.247 1.00 0.00 N ATOM 0 H ARG A 89 9.486 7.903 0.014 1.00 0.00 H new ATOM 0 HA ARG A 89 6.728 8.372 0.797 1.00 0.00 H new ATOM 0 HB2 ARG A 89 8.498 10.026 -1.043 1.00 0.00 H new ATOM 0 HB3 ARG A 89 7.049 10.551 -0.210 1.00 0.00 H new ATOM 0 HG2 ARG A 89 9.354 9.463 1.421 1.00 0.00 H new ATOM 0 HG3 ARG A 89 9.463 11.094 0.787 1.00 0.00 H new ATOM 0 HD2 ARG A 89 7.699 11.885 2.111 1.00 0.00 H new ATOM 0 HD3 ARG A 89 6.902 10.326 2.179 1.00 0.00 H new ATOM 0 HE ARG A 89 8.902 11.332 4.044 1.00 0.00 H new ATOM 0 HH11 ARG A 89 7.701 8.369 2.509 1.00 0.00 H new ATOM 0 HH12 ARG A 89 8.251 7.322 3.821 1.00 0.00 H new ATOM 0 HH21 ARG A 89 9.614 9.980 5.741 1.00 0.00 H new ATOM 0 HH22 ARG A 89 9.337 8.237 5.657 1.00 0.00 H new ATOM 1296 N SER A 90 7.658 7.924 -2.352 1.00 0.00 N ATOM 1297 CA SER A 90 7.191 7.519 -3.667 1.00 0.00 C ATOM 1298 C SER A 90 7.276 5.998 -3.807 1.00 0.00 C ATOM 1299 O SER A 90 8.358 5.421 -3.704 1.00 0.00 O ATOM 1300 CB SER A 90 8.000 8.200 -4.773 1.00 0.00 C ATOM 1301 OG SER A 90 8.283 9.562 -4.465 1.00 0.00 O ATOM 0 H SER A 90 8.655 8.133 -2.299 1.00 0.00 H new ATOM 0 HA SER A 90 6.151 7.830 -3.771 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.935 7.660 -4.923 1.00 0.00 H new ATOM 0 HB3 SER A 90 7.448 8.148 -5.711 1.00 0.00 H new ATOM 0 HG SER A 90 8.802 9.961 -5.194 1.00 0.00 H new ATOM 1307 N LEU A 91 6.121 5.391 -4.040 1.00 0.00 N ATOM 1308 CA LEU A 91 6.052 3.948 -4.195 1.00 0.00 C ATOM 1309 C LEU A 91 5.122 3.610 -5.362 1.00 0.00 C ATOM 1310 O LEU A 91 4.162 4.332 -5.625 1.00 0.00 O ATOM 1311 CB LEU A 91 5.650 3.286 -2.876 1.00 0.00 C ATOM 1312 CG LEU A 91 6.530 3.610 -1.667 1.00 0.00 C ATOM 1313 CD1 LEU A 91 5.700 4.203 -0.528 1.00 0.00 C ATOM 1314 CD2 LEU A 91 7.321 2.379 -1.220 1.00 0.00 C ATOM 0 H LEU A 91 5.226 5.872 -4.125 1.00 0.00 H new ATOM 0 HA LEU A 91 7.034 3.543 -4.441 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.626 3.578 -2.643 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.649 2.206 -3.020 1.00 0.00 H new ATOM 0 HG LEU A 91 7.255 4.368 -1.965 1.00 0.00 H new ATOM 0 HD11 LEU A 91 6.350 4.424 0.319 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.221 5.121 -0.867 1.00 0.00 H new ATOM 0 HD13 LEU A 91 4.937 3.487 -0.223 1.00 0.00 H new ATOM 0 HD21 LEU A 91 7.938 2.636 -0.359 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.630 1.582 -0.946 1.00 0.00 H new ATOM 0 HD23 LEU A 91 7.959 2.041 -2.036 1.00 0.00 H new ATOM 1326 N THR A 92 5.439 2.510 -6.030 1.00 0.00 N ATOM 1327 CA THR A 92 4.644 2.067 -7.163 1.00 0.00 C ATOM 1328 C THR A 92 3.810 0.842 -6.782 1.00 0.00 C ATOM 1329 O THR A 92 4.325 -0.274 -6.735 1.00 0.00 O ATOM 1330 CB THR A 92 5.592 1.815 -8.337 1.00 0.00 C ATOM 1331 OG1 THR A 92 5.879 3.118 -8.837 1.00 0.00 O ATOM 1332 CG2 THR A 92 4.902 1.111 -9.506 1.00 0.00 C ATOM 0 H THR A 92 6.235 1.913 -5.808 1.00 0.00 H new ATOM 0 HA THR A 92 3.926 2.830 -7.465 1.00 0.00 H new ATOM 0 HB THR A 92 6.436 1.214 -7.999 1.00 0.00 H new ATOM 0 HG1 THR A 92 6.449 3.595 -8.199 1.00 0.00 H new ATOM 0 HG21 THR A 92 5.619 0.956 -10.312 1.00 0.00 H new ATOM 0 HG22 THR A 92 4.516 0.147 -9.174 1.00 0.00 H new ATOM 0 HG23 THR A 92 4.078 1.727 -9.867 1.00 0.00 H new ATOM 1340 N ILE A 93 2.536 1.092 -6.519 1.00 0.00 N ATOM 1341 CA ILE A 93 1.625 0.024 -6.144 1.00 0.00 C ATOM 1342 C ILE A 93 0.993 -0.568 -7.405 1.00 0.00 C ATOM 1343 O ILE A 93 0.601 0.166 -8.310 1.00 0.00 O ATOM 1344 CB ILE A 93 0.604 0.525 -5.121 1.00 0.00 C ATOM 1345 CG1 ILE A 93 1.301 1.113 -3.892 1.00 0.00 C ATOM 1346 CG2 ILE A 93 -0.384 -0.582 -4.744 1.00 0.00 C ATOM 1347 CD1 ILE A 93 0.438 2.194 -3.237 1.00 0.00 C ATOM 0 H ILE A 93 2.113 2.019 -6.558 1.00 0.00 H new ATOM 0 HA ILE A 93 2.167 -0.783 -5.650 1.00 0.00 H new ATOM 0 HB ILE A 93 0.028 1.329 -5.580 1.00 0.00 H new ATOM 0 HG12 ILE A 93 1.506 0.321 -3.172 1.00 0.00 H new ATOM 0 HG13 ILE A 93 2.262 1.537 -4.183 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -1.099 -0.199 -4.015 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -0.917 -0.913 -5.635 1.00 0.00 H new ATOM 0 HG23 ILE A 93 0.159 -1.423 -4.312 1.00 0.00 H new ATOM 0 HD11 ILE A 93 0.956 2.595 -2.366 1.00 0.00 H new ATOM 0 HD12 ILE A 93 0.255 2.996 -3.952 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -0.513 1.761 -2.926 1.00 0.00 H new ATOM 1359 N SER A 94 0.914 -1.891 -7.423 1.00 0.00 N ATOM 1360 CA SER A 94 0.336 -2.590 -8.559 1.00 0.00 C ATOM 1361 C SER A 94 -0.889 -3.391 -8.112 1.00 0.00 C ATOM 1362 O SER A 94 -0.753 -4.482 -7.559 1.00 0.00 O ATOM 1363 CB SER A 94 1.363 -3.513 -9.218 1.00 0.00 C ATOM 1364 OG SER A 94 1.602 -3.161 -10.578 1.00 0.00 O ATOM 0 H SER A 94 1.240 -2.497 -6.670 1.00 0.00 H new ATOM 0 HA SER A 94 0.028 -1.849 -9.297 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.300 -3.469 -8.662 1.00 0.00 H new ATOM 0 HB3 SER A 94 1.010 -4.543 -9.167 1.00 0.00 H new ATOM 0 HG SER A 94 2.264 -3.772 -10.963 1.00 0.00 H new ATOM 1370 N ILE A 95 -2.056 -2.819 -8.367 1.00 0.00 N ATOM 1371 CA ILE A 95 -3.303 -3.466 -7.998 1.00 0.00 C ATOM 1372 C ILE A 95 -3.910 -4.137 -9.233 1.00 0.00 C ATOM 1373 O ILE A 95 -3.458 -3.906 -10.354 1.00 0.00 O ATOM 1374 CB ILE A 95 -4.243 -2.469 -7.316 1.00 0.00 C ATOM 1375 CG1 ILE A 95 -4.429 -1.216 -8.174 1.00 0.00 C ATOM 1376 CG2 ILE A 95 -3.754 -2.132 -5.906 1.00 0.00 C ATOM 1377 CD1 ILE A 95 -5.911 -0.872 -8.328 1.00 0.00 C ATOM 0 H ILE A 95 -2.164 -1.914 -8.825 1.00 0.00 H new ATOM 0 HA ILE A 95 -3.122 -4.251 -7.264 1.00 0.00 H new ATOM 0 HB ILE A 95 -5.222 -2.937 -7.214 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -3.903 -0.377 -7.718 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -3.985 -1.375 -9.157 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -4.439 -1.422 -5.443 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -3.715 -3.042 -5.307 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -2.758 -1.692 -5.962 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.015 0.023 -8.942 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -6.430 -1.703 -8.806 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.346 -0.690 -7.345 1.00 0.00 H new ATOM 1389 N VAL A 96 -4.923 -4.953 -8.985 1.00 0.00 N ATOM 1390 CA VAL A 96 -5.596 -5.659 -10.063 1.00 0.00 C ATOM 1391 C VAL A 96 -7.013 -5.105 -10.223 1.00 0.00 C ATOM 1392 O VAL A 96 -7.939 -5.844 -10.553 1.00 0.00 O ATOM 1393 CB VAL A 96 -5.569 -7.166 -9.798 1.00 0.00 C ATOM 1394 CG1 VAL A 96 -6.434 -7.916 -10.814 1.00 0.00 C ATOM 1395 CG2 VAL A 96 -4.135 -7.697 -9.800 1.00 0.00 C ATOM 0 H VAL A 96 -5.295 -5.142 -8.054 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.076 -5.499 -11.008 1.00 0.00 H new ATOM 0 HB VAL A 96 -5.989 -7.340 -8.807 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -6.398 -8.985 -10.604 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -7.464 -7.567 -10.743 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -6.057 -7.731 -11.820 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.144 -8.770 -9.609 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -3.677 -7.505 -10.770 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.560 -7.195 -9.022 1.00 0.00 H new ATOM 1405 N ALA A 97 -7.138 -3.808 -9.981 1.00 0.00 N ATOM 1406 CA ALA A 97 -8.427 -3.146 -10.094 1.00 0.00 C ATOM 1407 C ALA A 97 -9.487 -3.978 -9.371 1.00 0.00 C ATOM 1408 O ALA A 97 -10.046 -4.912 -9.944 1.00 0.00 O ATOM 1409 CB ALA A 97 -8.762 -2.931 -11.571 1.00 0.00 C ATOM 0 H ALA A 97 -6.368 -3.198 -9.707 1.00 0.00 H new ATOM 0 HA ALA A 97 -8.398 -2.165 -9.620 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -9.729 -2.435 -11.656 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -7.993 -2.310 -12.032 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -8.803 -3.895 -12.079 1.00 0.00 H new ATOM 1415 N ALA A 98 -9.733 -3.609 -8.122 1.00 0.00 N ATOM 1416 CA ALA A 98 -10.717 -4.310 -7.315 1.00 0.00 C ATOM 1417 C ALA A 98 -10.540 -5.819 -7.498 1.00 0.00 C ATOM 1418 O ALA A 98 -11.461 -6.506 -7.937 1.00 0.00 O ATOM 1419 CB ALA A 98 -12.121 -3.837 -7.696 1.00 0.00 C ATOM 0 H ALA A 98 -9.268 -2.834 -7.650 1.00 0.00 H new ATOM 0 HA ALA A 98 -10.574 -4.088 -6.258 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -12.859 -4.363 -7.090 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -12.204 -2.765 -7.519 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -12.302 -4.046 -8.750 1.00 0.00 H new ATOM 1425 N ALA A 99 -9.351 -6.289 -7.154 1.00 0.00 N ATOM 1426 CA ALA A 99 -9.041 -7.704 -7.275 1.00 0.00 C ATOM 1427 C ALA A 99 -9.947 -8.502 -6.335 1.00 0.00 C ATOM 1428 O ALA A 99 -10.909 -9.128 -6.777 1.00 0.00 O ATOM 1429 CB ALA A 99 -7.556 -7.929 -6.984 1.00 0.00 C ATOM 0 H ALA A 99 -8.590 -5.715 -6.791 1.00 0.00 H new ATOM 0 HA ALA A 99 -9.230 -8.053 -8.290 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -7.324 -8.990 -7.075 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -6.956 -7.364 -7.697 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -7.329 -7.593 -5.972 1.00 0.00 H new ATOM 1435 N GLY A 100 -9.608 -8.453 -5.055 1.00 0.00 N ATOM 1436 CA GLY A 100 -10.378 -9.163 -4.049 1.00 0.00 C ATOM 1437 C GLY A 100 -11.504 -8.285 -3.499 1.00 0.00 C ATOM 1438 O GLY A 100 -11.669 -8.169 -2.286 1.00 0.00 O ATOM 0 H GLY A 100 -8.810 -7.932 -4.692 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -10.798 -10.071 -4.482 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.722 -9.472 -3.235 1.00 0.00 H new ATOM 1442 N ARG A 101 -12.249 -7.690 -4.419 1.00 0.00 N ATOM 1443 CA ARG A 101 -13.355 -6.826 -4.041 1.00 0.00 C ATOM 1444 C ARG A 101 -14.425 -7.627 -3.297 1.00 0.00 C ATOM 1445 O ARG A 101 -15.053 -7.119 -2.370 1.00 0.00 O ATOM 1446 CB ARG A 101 -13.984 -6.167 -5.271 1.00 0.00 C ATOM 1447 CG ARG A 101 -14.072 -4.650 -5.095 1.00 0.00 C ATOM 1448 CD ARG A 101 -15.355 -4.099 -5.721 1.00 0.00 C ATOM 1449 NE ARG A 101 -15.079 -2.805 -6.386 1.00 0.00 N ATOM 1450 CZ ARG A 101 -16.005 -2.075 -7.022 1.00 0.00 C ATOM 1451 NH1 ARG A 101 -17.272 -2.506 -7.084 1.00 0.00 N ATOM 1452 NH2 ARG A 101 -15.664 -0.913 -7.596 1.00 0.00 N ATOM 0 H ARG A 101 -12.109 -7.789 -5.424 1.00 0.00 H new ATOM 0 HA ARG A 101 -12.960 -6.048 -3.388 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -13.392 -6.400 -6.156 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -14.981 -6.576 -5.437 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -14.045 -4.401 -4.034 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -13.205 -4.176 -5.556 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -15.752 -4.812 -6.444 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -16.117 -3.967 -4.953 1.00 0.00 H new ATOM 0 HE ARG A 101 -14.124 -2.447 -6.358 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -17.532 -3.390 -6.647 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -17.977 -1.950 -7.568 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -14.700 -0.584 -7.549 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -16.369 -0.357 -8.080 1.00 0.00 H new ATOM 1466 N GLU A 102 -14.599 -8.867 -3.731 1.00 0.00 N ATOM 1467 CA GLU A 102 -15.582 -9.743 -3.118 1.00 0.00 C ATOM 1468 C GLU A 102 -15.401 -9.764 -1.599 1.00 0.00 C ATOM 1469 O GLU A 102 -16.368 -9.928 -0.856 1.00 0.00 O ATOM 1470 CB GLU A 102 -15.495 -11.156 -3.699 1.00 0.00 C ATOM 1471 CG GLU A 102 -14.081 -11.723 -3.554 1.00 0.00 C ATOM 1472 CD GLU A 102 -14.036 -13.195 -3.968 1.00 0.00 C ATOM 1473 OE1 GLU A 102 -14.446 -14.032 -3.134 1.00 0.00 O ATOM 1474 OE2 GLU A 102 -13.592 -13.451 -5.108 1.00 0.00 O ATOM 0 H GLU A 102 -14.075 -9.285 -4.500 1.00 0.00 H new ATOM 0 HA GLU A 102 -16.575 -9.354 -3.341 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -16.206 -11.807 -3.189 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -15.777 -11.138 -4.752 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -13.390 -11.147 -4.169 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -13.749 -11.622 -2.521 1.00 0.00 H new ATOM 1481 N LEU A 103 -14.155 -9.594 -1.181 1.00 0.00 N ATOM 1482 CA LEU A 103 -13.834 -9.591 0.236 1.00 0.00 C ATOM 1483 C LEU A 103 -14.707 -8.556 0.950 1.00 0.00 C ATOM 1484 O LEU A 103 -15.102 -8.758 2.097 1.00 0.00 O ATOM 1485 CB LEU A 103 -12.333 -9.379 0.446 1.00 0.00 C ATOM 1486 CG LEU A 103 -11.409 -10.358 -0.281 1.00 0.00 C ATOM 1487 CD1 LEU A 103 -9.940 -10.015 -0.029 1.00 0.00 C ATOM 1488 CD2 LEU A 103 -11.734 -11.804 0.100 1.00 0.00 C ATOM 0 H LEU A 103 -13.355 -9.457 -1.799 1.00 0.00 H new ATOM 0 HA LEU A 103 -14.060 -10.561 0.679 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -12.081 -8.368 0.127 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -12.124 -9.438 1.514 1.00 0.00 H new ATOM 0 HG LEU A 103 -11.583 -10.261 -1.353 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -9.305 -10.726 -0.557 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -9.735 -9.007 -0.390 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -9.732 -10.067 1.040 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -11.063 -12.480 -0.430 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -11.606 -11.935 1.174 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -12.765 -12.029 -0.172 1.00 0.00 H new ATOM 1500 N PHE A 104 -14.982 -7.471 0.241 1.00 0.00 N ATOM 1501 CA PHE A 104 -15.801 -6.405 0.792 1.00 0.00 C ATOM 1502 C PHE A 104 -17.132 -6.294 0.045 1.00 0.00 C ATOM 1503 O PHE A 104 -17.530 -5.204 -0.362 1.00 0.00 O ATOM 1504 CB PHE A 104 -15.019 -5.102 0.612 1.00 0.00 C ATOM 1505 CG PHE A 104 -13.561 -5.184 1.069 1.00 0.00 C ATOM 1506 CD1 PHE A 104 -13.246 -4.989 2.378 1.00 0.00 C ATOM 1507 CD2 PHE A 104 -12.579 -5.452 0.166 1.00 0.00 C ATOM 1508 CE1 PHE A 104 -11.893 -5.065 2.802 1.00 0.00 C ATOM 1509 CE2 PHE A 104 -11.226 -5.527 0.590 1.00 0.00 C ATOM 1510 CZ PHE A 104 -10.911 -5.332 1.899 1.00 0.00 C ATOM 0 H PHE A 104 -14.652 -7.307 -0.710 1.00 0.00 H new ATOM 0 HA PHE A 104 -16.019 -6.608 1.841 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -15.044 -4.817 -0.440 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -15.520 -4.310 1.169 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -14.025 -4.776 3.095 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -12.829 -5.608 -0.873 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -11.643 -4.911 3.841 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -10.447 -5.739 -0.127 1.00 0.00 H new ATOM 0 HZ PHE A 104 -9.882 -5.389 2.221 1.00 0.00 H new