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 24:sc= 0.929 USER MOD Set 1.2: A 54 SER OG : rot -170:sc= 1.24 USER MOD Single : A 17 LYS NZ :NH3+ -151:sc= -0.171 (180deg=-1.26) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 20:sc= 0.555 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -152:sc= 0.112! USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.037 X(o=-0.037,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -174:sc= -1.04 USER MOD Single : A 47 HIS : no HD1:sc= -0.651 K(o=-0.65,f=-2) USER MOD Single : A 52 SER OG : rot 160:sc= 0.262 USER MOD Single : A 64 GLN : amide:sc= -0.61 K(o=-0.61,f=-3.1!) USER MOD Single : A 69 ASN : amide:sc= -8.55! C(o=-8.6!,f=-10!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.211 X(o=-0.21,f=-0.19) USER MOD Single : A 78 HIS : no HD1:sc= -0.462 K(o=-0.46,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 X(o=0,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0.00124 USER MOD Single : A 92 THR OG1 : rot -52:sc= -0.622 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 187 N GLU A 16 -4.694 -5.241 -14.357 1.00 0.00 N ATOM 188 CA GLU A 16 -3.723 -4.655 -13.450 1.00 0.00 C ATOM 189 C GLU A 16 -3.528 -3.171 -13.767 1.00 0.00 C ATOM 190 O GLU A 16 -3.568 -2.770 -14.929 1.00 0.00 O ATOM 191 CB GLU A 16 -2.392 -5.408 -13.511 1.00 0.00 C ATOM 192 CG GLU A 16 -2.300 -6.450 -12.395 1.00 0.00 C ATOM 193 CD GLU A 16 -0.943 -6.382 -11.692 1.00 0.00 C ATOM 194 OE1 GLU A 16 -0.411 -5.256 -11.592 1.00 0.00 O ATOM 195 OE2 GLU A 16 -0.468 -7.459 -11.270 1.00 0.00 O ATOM 0 HA GLU A 16 -4.106 -4.742 -12.433 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.291 -5.898 -14.480 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.566 -4.702 -13.423 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.097 -6.284 -11.671 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.449 -7.447 -12.810 1.00 0.00 H new ATOM 202 N LYS A 17 -3.321 -2.396 -12.712 1.00 0.00 N ATOM 203 CA LYS A 17 -3.119 -0.965 -12.863 1.00 0.00 C ATOM 204 C LYS A 17 -1.903 -0.535 -12.041 1.00 0.00 C ATOM 205 O LYS A 17 -1.664 -1.064 -10.956 1.00 0.00 O ATOM 206 CB LYS A 17 -4.399 -0.203 -12.512 1.00 0.00 C ATOM 207 CG LYS A 17 -4.651 -0.222 -11.003 1.00 0.00 C ATOM 208 CD LYS A 17 -5.338 1.067 -10.546 1.00 0.00 C ATOM 209 CE LYS A 17 -6.853 0.980 -10.740 1.00 0.00 C ATOM 210 NZ LYS A 17 -7.201 1.128 -12.171 1.00 0.00 N ATOM 0 H LYS A 17 -3.289 -2.732 -11.750 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.904 -0.719 -13.903 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.320 0.827 -12.858 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -5.247 -0.650 -13.032 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.271 -1.080 -10.745 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.705 -0.342 -10.474 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.112 1.251 -9.496 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.944 1.913 -11.109 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.219 0.023 -10.368 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -7.346 1.758 -10.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.148 1.549 -12.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -6.504 1.745 -12.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.195 0.194 -12.628 1.00 0.00 H new ATOM 224 N LYS A 18 -1.166 0.420 -12.588 1.00 0.00 N ATOM 225 CA LYS A 18 0.020 0.926 -11.919 1.00 0.00 C ATOM 226 C LYS A 18 -0.312 2.256 -11.238 1.00 0.00 C ATOM 227 O LYS A 18 -0.566 3.254 -11.910 1.00 0.00 O ATOM 228 CB LYS A 18 1.193 1.013 -12.898 1.00 0.00 C ATOM 229 CG LYS A 18 2.519 1.174 -12.152 1.00 0.00 C ATOM 230 CD LYS A 18 3.218 2.475 -12.553 1.00 0.00 C ATOM 231 CE LYS A 18 4.084 2.272 -13.797 1.00 0.00 C ATOM 232 NZ LYS A 18 3.608 3.129 -14.906 1.00 0.00 N ATOM 0 H LYS A 18 -1.367 0.857 -13.487 1.00 0.00 H new ATOM 0 HA LYS A 18 0.338 0.237 -11.137 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.225 0.114 -13.514 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.046 1.856 -13.573 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.339 1.170 -11.077 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.168 0.326 -12.369 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.473 3.247 -12.746 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.837 2.828 -11.728 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.123 2.509 -13.567 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.055 1.225 -14.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 4.207 2.979 -15.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.624 2.884 -15.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.658 4.127 -14.619 1.00 0.00 H new ATOM 246 N VAL A 19 -0.299 2.226 -9.914 1.00 0.00 N ATOM 247 CA VAL A 19 -0.596 3.416 -9.135 1.00 0.00 C ATOM 248 C VAL A 19 0.633 3.799 -8.309 1.00 0.00 C ATOM 249 O VAL A 19 1.212 2.958 -7.623 1.00 0.00 O ATOM 250 CB VAL A 19 -1.843 3.184 -8.280 1.00 0.00 C ATOM 251 CG1 VAL A 19 -3.114 3.275 -9.127 1.00 0.00 C ATOM 252 CG2 VAL A 19 -1.765 1.842 -7.549 1.00 0.00 C ATOM 0 H VAL A 19 -0.087 1.396 -9.360 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.821 4.256 -9.792 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.885 3.972 -7.528 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.986 3.106 -8.495 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.180 4.265 -9.579 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.083 2.519 -9.912 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.664 1.702 -6.948 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.686 1.035 -8.277 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.890 1.832 -6.900 1.00 0.00 H new ATOM 262 N PHE A 20 0.996 5.070 -8.401 1.00 0.00 N ATOM 263 CA PHE A 20 2.146 5.575 -7.670 1.00 0.00 C ATOM 264 C PHE A 20 1.708 6.475 -6.513 1.00 0.00 C ATOM 265 O PHE A 20 1.214 7.580 -6.733 1.00 0.00 O ATOM 266 CB PHE A 20 2.976 6.400 -8.656 1.00 0.00 C ATOM 267 CG PHE A 20 4.487 6.210 -8.508 1.00 0.00 C ATOM 268 CD1 PHE A 20 5.060 6.251 -7.276 1.00 0.00 C ATOM 269 CD2 PHE A 20 5.256 6.000 -9.610 1.00 0.00 C ATOM 270 CE1 PHE A 20 6.463 6.075 -7.139 1.00 0.00 C ATOM 271 CE2 PHE A 20 6.659 5.824 -9.473 1.00 0.00 C ATOM 272 CZ PHE A 20 7.232 5.866 -8.240 1.00 0.00 C ATOM 0 H PHE A 20 0.514 5.765 -8.971 1.00 0.00 H new ATOM 0 HA PHE A 20 2.716 4.744 -7.254 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.684 6.134 -9.672 1.00 0.00 H new ATOM 0 HB3 PHE A 20 2.738 7.455 -8.522 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.449 6.417 -6.401 1.00 0.00 H new ATOM 0 HD2 PHE A 20 4.800 5.967 -10.589 1.00 0.00 H new ATOM 0 HE1 PHE A 20 6.918 6.107 -6.160 1.00 0.00 H new ATOM 0 HE2 PHE A 20 7.270 5.657 -10.347 1.00 0.00 H new ATOM 0 HZ PHE A 20 8.299 5.733 -8.136 1.00 0.00 H new ATOM 282 N ILE A 21 1.906 5.970 -5.304 1.00 0.00 N ATOM 283 CA ILE A 21 1.537 6.714 -4.112 1.00 0.00 C ATOM 284 C ILE A 21 2.772 7.433 -3.563 1.00 0.00 C ATOM 285 O ILE A 21 3.770 6.795 -3.233 1.00 0.00 O ATOM 286 CB ILE A 21 0.858 5.795 -3.095 1.00 0.00 C ATOM 287 CG1 ILE A 21 -0.484 5.287 -3.625 1.00 0.00 C ATOM 288 CG2 ILE A 21 0.713 6.489 -1.739 1.00 0.00 C ATOM 289 CD1 ILE A 21 -1.532 6.403 -3.623 1.00 0.00 C ATOM 0 H ILE A 21 2.317 5.054 -5.125 1.00 0.00 H new ATOM 0 HA ILE A 21 0.801 7.481 -4.354 1.00 0.00 H new ATOM 0 HB ILE A 21 1.495 4.924 -2.944 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.358 4.904 -4.637 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.831 4.456 -3.011 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.227 5.814 -1.035 1.00 0.00 H new ATOM 0 HG22 ILE A 21 1.699 6.759 -1.361 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.109 7.389 -1.854 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -2.477 6.016 -4.004 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.673 6.767 -2.606 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.193 7.222 -4.258 1.00 0.00 H new ATOM 301 N SER A 22 2.662 8.751 -3.482 1.00 0.00 N ATOM 302 CA SER A 22 3.757 9.563 -2.979 1.00 0.00 C ATOM 303 C SER A 22 3.316 10.315 -1.721 1.00 0.00 C ATOM 304 O SER A 22 2.378 11.110 -1.766 1.00 0.00 O ATOM 305 CB SER A 22 4.246 10.548 -4.042 1.00 0.00 C ATOM 306 OG SER A 22 3.288 11.570 -4.304 1.00 0.00 O ATOM 0 H SER A 22 1.832 9.276 -3.756 1.00 0.00 H new ATOM 0 HA SER A 22 4.586 8.901 -2.727 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.180 11.003 -3.712 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.462 10.009 -4.964 1.00 0.00 H new ATOM 0 HG SER A 22 2.657 11.627 -3.556 1.00 0.00 H new ATOM 312 N LEU A 23 4.013 10.037 -0.629 1.00 0.00 N ATOM 313 CA LEU A 23 3.704 10.677 0.638 1.00 0.00 C ATOM 314 C LEU A 23 4.541 11.951 0.778 1.00 0.00 C ATOM 315 O LEU A 23 5.238 12.134 1.774 1.00 0.00 O ATOM 316 CB LEU A 23 3.886 9.692 1.794 1.00 0.00 C ATOM 317 CG LEU A 23 2.660 8.853 2.160 1.00 0.00 C ATOM 318 CD1 LEU A 23 1.552 9.729 2.748 1.00 0.00 C ATOM 319 CD2 LEU A 23 2.173 8.042 0.958 1.00 0.00 C ATOM 0 H LEU A 23 4.790 9.377 -0.596 1.00 0.00 H new ATOM 0 HA LEU A 23 2.657 10.978 0.668 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.703 9.015 1.543 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.195 10.252 2.677 1.00 0.00 H new ATOM 0 HG LEU A 23 2.951 8.141 2.932 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.692 9.108 3.000 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.918 10.224 3.648 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.255 10.480 2.016 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.301 7.454 1.245 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.904 8.719 0.147 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.967 7.374 0.624 1.00 0.00 H new ATOM 415 N GLY A 30 -5.043 8.180 2.867 1.00 0.00 N ATOM 416 CA GLY A 30 -6.317 8.168 3.565 1.00 0.00 C ATOM 417 C GLY A 30 -7.108 6.899 3.239 1.00 0.00 C ATOM 418 O GLY A 30 -8.338 6.918 3.221 1.00 0.00 O ATOM 0 HA2 GLY A 30 -6.148 8.229 4.640 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.898 9.046 3.283 1.00 0.00 H new ATOM 422 N CYS A 31 -6.370 5.828 2.990 1.00 0.00 N ATOM 423 CA CYS A 31 -6.987 4.553 2.667 1.00 0.00 C ATOM 424 C CYS A 31 -6.570 3.534 3.730 1.00 0.00 C ATOM 425 O CYS A 31 -5.463 3.603 4.260 1.00 0.00 O ATOM 426 CB CYS A 31 -6.619 4.088 1.256 1.00 0.00 C ATOM 427 SG CYS A 31 -4.803 3.923 1.105 1.00 0.00 S ATOM 0 H CYS A 31 -5.350 5.817 3.005 1.00 0.00 H new ATOM 0 HA CYS A 31 -8.072 4.659 2.673 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -7.098 3.133 1.043 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -6.990 4.802 0.521 1.00 0.00 H new ATOM 0 HG CYS A 31 -4.286 3.728 2.282 1.00 0.00 H new ATOM 433 N SER A 32 -7.480 2.612 4.009 1.00 0.00 N ATOM 434 CA SER A 32 -7.221 1.581 4.999 1.00 0.00 C ATOM 435 C SER A 32 -7.049 0.226 4.310 1.00 0.00 C ATOM 436 O SER A 32 -7.821 -0.124 3.419 1.00 0.00 O ATOM 437 CB SER A 32 -8.349 1.512 6.030 1.00 0.00 C ATOM 438 OG SER A 32 -7.885 1.791 7.348 1.00 0.00 O ATOM 0 H SER A 32 -8.397 2.558 3.567 1.00 0.00 H new ATOM 0 HA SER A 32 -6.300 1.834 5.524 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.129 2.224 5.762 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.801 0.520 6.007 1.00 0.00 H new ATOM 0 HG SER A 32 -8.635 1.739 7.977 1.00 0.00 H new ATOM 444 N ILE A 33 -6.030 -0.500 4.749 1.00 0.00 N ATOM 445 CA ILE A 33 -5.746 -1.808 4.185 1.00 0.00 C ATOM 446 C ILE A 33 -6.195 -2.891 5.169 1.00 0.00 C ATOM 447 O ILE A 33 -6.230 -2.661 6.377 1.00 0.00 O ATOM 448 CB ILE A 33 -4.273 -1.912 3.787 1.00 0.00 C ATOM 449 CG1 ILE A 33 -3.361 -1.620 4.980 1.00 0.00 C ATOM 450 CG2 ILE A 33 -3.962 -1.008 2.593 1.00 0.00 C ATOM 451 CD1 ILE A 33 -1.971 -2.225 4.770 1.00 0.00 C ATOM 0 H ILE A 33 -5.392 -0.206 5.488 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.312 -1.957 3.265 1.00 0.00 H new ATOM 0 HB ILE A 33 -4.076 -2.937 3.474 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.275 -0.543 5.121 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.805 -2.026 5.889 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.908 -1.101 2.331 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.575 -1.305 1.742 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -4.181 0.027 2.854 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.343 -2.002 5.633 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.058 -3.305 4.654 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.520 -1.799 3.874 1.00 0.00 H new ATOM 463 N SER A 34 -6.528 -4.048 4.615 1.00 0.00 N ATOM 464 CA SER A 34 -6.974 -5.166 5.429 1.00 0.00 C ATOM 465 C SER A 34 -6.236 -6.441 5.015 1.00 0.00 C ATOM 466 O SER A 34 -5.709 -6.525 3.907 1.00 0.00 O ATOM 467 CB SER A 34 -8.486 -5.366 5.310 1.00 0.00 C ATOM 468 OG SER A 34 -8.855 -5.914 4.048 1.00 0.00 O ATOM 0 H SER A 34 -6.498 -4.235 3.613 1.00 0.00 H new ATOM 0 HA SER A 34 -6.746 -4.943 6.471 1.00 0.00 H new ATOM 0 HB2 SER A 34 -8.828 -6.027 6.106 1.00 0.00 H new ATOM 0 HB3 SER A 34 -8.990 -4.410 5.451 1.00 0.00 H new ATOM 0 HG SER A 34 -9.764 -5.627 3.820 1.00 0.00 H new ATOM 474 N SER A 35 -6.223 -7.402 5.927 1.00 0.00 N ATOM 475 CA SER A 35 -5.559 -8.668 5.670 1.00 0.00 C ATOM 476 C SER A 35 -6.527 -9.639 4.993 1.00 0.00 C ATOM 477 O SER A 35 -7.731 -9.598 5.245 1.00 0.00 O ATOM 478 CB SER A 35 -5.015 -9.277 6.965 1.00 0.00 C ATOM 479 OG SER A 35 -6.036 -9.922 7.721 1.00 0.00 O ATOM 0 H SER A 35 -6.662 -7.329 6.845 1.00 0.00 H new ATOM 0 HA SER A 35 -4.716 -8.483 5.004 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.231 -9.996 6.726 1.00 0.00 H new ATOM 0 HB3 SER A 35 -4.556 -8.494 7.569 1.00 0.00 H new ATOM 0 HG SER A 35 -5.649 -10.299 8.539 1.00 0.00 H new ATOM 485 N GLY A 36 -5.966 -10.490 4.146 1.00 0.00 N ATOM 486 CA GLY A 36 -6.766 -11.470 3.430 1.00 0.00 C ATOM 487 C GLY A 36 -6.596 -12.864 4.036 1.00 0.00 C ATOM 488 O GLY A 36 -5.623 -13.123 4.743 1.00 0.00 O ATOM 0 H GLY A 36 -4.968 -10.521 3.939 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -7.816 -11.181 3.463 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.473 -11.488 2.380 1.00 0.00 H new ATOM 492 N PRO A 37 -7.583 -13.748 3.730 1.00 0.00 N ATOM 493 CA PRO A 37 -7.553 -15.109 4.237 1.00 0.00 C ATOM 494 C PRO A 37 -6.518 -15.951 3.486 1.00 0.00 C ATOM 495 O PRO A 37 -5.681 -15.412 2.763 1.00 0.00 O ATOM 496 CB PRO A 37 -8.973 -15.624 4.068 1.00 0.00 C ATOM 497 CG PRO A 37 -9.631 -14.704 3.052 1.00 0.00 C ATOM 498 CD PRO A 37 -8.750 -13.476 2.896 1.00 0.00 C ATOM 0 HA PRO A 37 -7.247 -15.162 5.282 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -8.975 -16.657 3.719 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.510 -15.607 5.016 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -9.748 -15.213 2.096 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -10.629 -14.418 3.386 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -8.466 -13.323 1.855 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -9.267 -12.574 3.221 1.00 0.00 H new ATOM 506 N ILE A 38 -6.610 -17.258 3.683 1.00 0.00 N ATOM 507 CA ILE A 38 -5.693 -18.179 3.034 1.00 0.00 C ATOM 508 C ILE A 38 -6.097 -18.346 1.568 1.00 0.00 C ATOM 509 O ILE A 38 -5.249 -18.581 0.709 1.00 0.00 O ATOM 510 CB ILE A 38 -5.622 -19.498 3.806 1.00 0.00 C ATOM 511 CG1 ILE A 38 -4.753 -20.519 3.069 1.00 0.00 C ATOM 512 CG2 ILE A 38 -7.023 -20.040 4.095 1.00 0.00 C ATOM 513 CD1 ILE A 38 -3.356 -20.599 3.689 1.00 0.00 C ATOM 0 H ILE A 38 -7.306 -17.701 4.283 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.680 -17.777 3.042 1.00 0.00 H new ATOM 0 HB ILE A 38 -5.146 -19.306 4.768 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -5.228 -21.500 3.105 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.673 -20.242 2.018 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -6.944 -20.978 4.645 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.577 -19.316 4.691 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -7.547 -20.213 3.155 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.759 -21.332 3.147 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.875 -19.623 3.629 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -3.438 -20.899 4.734 1.00 0.00 H new ATOM 525 N GLN A 39 -7.394 -18.218 1.327 1.00 0.00 N ATOM 526 CA GLN A 39 -7.921 -18.352 -0.021 1.00 0.00 C ATOM 527 C GLN A 39 -7.692 -17.061 -0.811 1.00 0.00 C ATOM 528 O GLN A 39 -7.566 -17.092 -2.034 1.00 0.00 O ATOM 529 CB GLN A 39 -9.405 -18.723 0.005 1.00 0.00 C ATOM 530 CG GLN A 39 -10.240 -17.601 0.627 1.00 0.00 C ATOM 531 CD GLN A 39 -11.500 -18.160 1.292 1.00 0.00 C ATOM 532 OE1 GLN A 39 -12.319 -18.818 0.673 1.00 0.00 O ATOM 533 NE2 GLN A 39 -11.608 -17.860 2.583 1.00 0.00 N ATOM 0 H GLN A 39 -8.095 -18.023 2.042 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.387 -19.160 -0.521 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -9.752 -18.920 -1.009 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -9.544 -19.643 0.574 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -9.643 -17.064 1.364 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -10.519 -16.881 -0.142 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -10.885 -17.304 3.040 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -12.414 -18.186 3.117 1.00 0.00 H new ATOM 542 N LYS A 40 -7.645 -15.958 -0.079 1.00 0.00 N ATOM 543 CA LYS A 40 -7.434 -14.659 -0.696 1.00 0.00 C ATOM 544 C LYS A 40 -6.421 -13.865 0.131 1.00 0.00 C ATOM 545 O LYS A 40 -6.740 -12.798 0.652 1.00 0.00 O ATOM 546 CB LYS A 40 -8.768 -13.937 -0.894 1.00 0.00 C ATOM 547 CG LYS A 40 -8.564 -12.592 -1.596 1.00 0.00 C ATOM 548 CD LYS A 40 -9.500 -12.454 -2.799 1.00 0.00 C ATOM 549 CE LYS A 40 -8.741 -12.658 -4.111 1.00 0.00 C ATOM 550 NZ LYS A 40 -9.502 -13.545 -5.018 1.00 0.00 N ATOM 0 H LYS A 40 -7.749 -15.937 0.935 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.010 -14.775 -1.693 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.439 -14.561 -1.484 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.247 -13.778 0.072 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.747 -11.779 -0.893 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.528 -12.502 -1.924 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.305 -13.185 -2.723 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.963 -11.467 -2.792 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.571 -11.695 -4.593 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -7.761 -13.090 -3.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.972 -13.673 -5.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.643 -14.469 -4.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.427 -13.117 -5.226 1.00 0.00 H new ATOM 564 N PRO A 41 -5.189 -14.432 0.229 1.00 0.00 N ATOM 565 CA PRO A 41 -4.127 -13.788 0.984 1.00 0.00 C ATOM 566 C PRO A 41 -3.555 -12.594 0.218 1.00 0.00 C ATOM 567 O PRO A 41 -3.498 -12.610 -1.011 1.00 0.00 O ATOM 568 CB PRO A 41 -3.101 -14.882 1.230 1.00 0.00 C ATOM 569 CG PRO A 41 -3.400 -15.971 0.213 1.00 0.00 C ATOM 570 CD PRO A 41 -4.774 -15.695 -0.375 1.00 0.00 C ATOM 0 HA PRO A 41 -4.477 -13.368 1.927 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.087 -14.501 1.107 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -3.176 -15.266 2.247 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -2.643 -15.979 -0.572 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -3.378 -16.952 0.687 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.732 -15.619 -1.462 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -5.474 -16.496 -0.138 1.00 0.00 H new ATOM 578 N GLY A 42 -3.147 -11.586 0.975 1.00 0.00 N ATOM 579 CA GLY A 42 -2.582 -10.386 0.382 1.00 0.00 C ATOM 580 C GLY A 42 -3.106 -9.130 1.081 1.00 0.00 C ATOM 581 O GLY A 42 -3.731 -9.218 2.137 1.00 0.00 O ATOM 0 H GLY A 42 -3.196 -11.576 1.994 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.495 -10.419 0.452 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.832 -10.348 -0.678 1.00 0.00 H new ATOM 585 N ILE A 43 -2.833 -7.990 0.464 1.00 0.00 N ATOM 586 CA ILE A 43 -3.269 -6.718 1.014 1.00 0.00 C ATOM 587 C ILE A 43 -4.377 -6.139 0.132 1.00 0.00 C ATOM 588 O ILE A 43 -4.187 -5.957 -1.070 1.00 0.00 O ATOM 589 CB ILE A 43 -2.077 -5.777 1.201 1.00 0.00 C ATOM 590 CG1 ILE A 43 -1.006 -6.418 2.086 1.00 0.00 C ATOM 591 CG2 ILE A 43 -2.529 -4.419 1.741 1.00 0.00 C ATOM 592 CD1 ILE A 43 -1.431 -6.407 3.556 1.00 0.00 C ATOM 0 H ILE A 43 -2.315 -7.921 -0.412 1.00 0.00 H new ATOM 0 HA ILE A 43 -3.693 -6.859 2.008 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.625 -5.601 0.225 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.828 -7.444 1.763 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.065 -5.880 1.972 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.662 -3.770 1.865 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.227 -3.963 1.039 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -3.020 -4.556 2.704 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.652 -6.868 4.163 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.584 -5.378 3.883 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.359 -6.966 3.671 1.00 0.00 H new ATOM 604 N PHE A 44 -5.509 -5.865 0.762 1.00 0.00 N ATOM 605 CA PHE A 44 -6.648 -5.310 0.049 1.00 0.00 C ATOM 606 C PHE A 44 -7.194 -4.074 0.766 1.00 0.00 C ATOM 607 O PHE A 44 -7.270 -4.047 1.994 1.00 0.00 O ATOM 608 CB PHE A 44 -7.730 -6.391 0.025 1.00 0.00 C ATOM 609 CG PHE A 44 -7.210 -7.785 -0.333 1.00 0.00 C ATOM 610 CD1 PHE A 44 -6.377 -8.439 0.520 1.00 0.00 C ATOM 611 CD2 PHE A 44 -7.580 -8.369 -1.503 1.00 0.00 C ATOM 612 CE1 PHE A 44 -5.894 -9.733 0.188 1.00 0.00 C ATOM 613 CE2 PHE A 44 -7.097 -9.663 -1.835 1.00 0.00 C ATOM 614 CZ PHE A 44 -6.264 -10.317 -0.983 1.00 0.00 C ATOM 0 H PHE A 44 -5.663 -6.017 1.759 1.00 0.00 H new ATOM 0 HA PHE A 44 -6.349 -5.011 -0.956 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -8.209 -6.433 1.003 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -8.498 -6.106 -0.694 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -6.083 -7.975 1.450 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -8.241 -7.849 -2.180 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -5.233 -10.253 0.866 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -7.392 -10.127 -2.765 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.896 -11.300 -1.236 1.00 0.00 H new ATOM 624 N ILE A 45 -7.561 -3.081 -0.030 1.00 0.00 N ATOM 625 CA ILE A 45 -8.099 -1.845 0.513 1.00 0.00 C ATOM 626 C ILE A 45 -9.419 -2.139 1.227 1.00 0.00 C ATOM 627 O ILE A 45 -10.163 -3.031 0.822 1.00 0.00 O ATOM 628 CB ILE A 45 -8.215 -0.784 -0.583 1.00 0.00 C ATOM 629 CG1 ILE A 45 -6.841 -0.216 -0.945 1.00 0.00 C ATOM 630 CG2 ILE A 45 -9.202 0.314 -0.181 1.00 0.00 C ATOM 631 CD1 ILE A 45 -6.976 1.014 -1.844 1.00 0.00 C ATOM 0 H ILE A 45 -7.496 -3.107 -1.048 1.00 0.00 H new ATOM 0 HA ILE A 45 -7.420 -1.428 1.257 1.00 0.00 H new ATOM 0 HB ILE A 45 -8.612 -1.261 -1.479 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.303 0.051 -0.036 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.250 -0.979 -1.452 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -9.266 1.055 -0.977 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -10.186 -0.125 -0.014 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -8.859 0.794 0.735 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.985 1.398 -2.086 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -7.493 0.738 -2.763 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -7.546 1.784 -1.324 1.00 0.00 H new ATOM 643 N SER A 46 -9.670 -1.372 2.278 1.00 0.00 N ATOM 644 CA SER A 46 -10.888 -1.539 3.052 1.00 0.00 C ATOM 645 C SER A 46 -11.738 -0.269 2.972 1.00 0.00 C ATOM 646 O SER A 46 -12.964 -0.341 2.907 1.00 0.00 O ATOM 647 CB SER A 46 -10.572 -1.874 4.511 1.00 0.00 C ATOM 648 OG SER A 46 -10.531 -0.708 5.330 1.00 0.00 O ATOM 0 H SER A 46 -9.051 -0.633 2.611 1.00 0.00 H new ATOM 0 HA SER A 46 -11.450 -2.372 2.629 1.00 0.00 H new ATOM 0 HB2 SER A 46 -11.325 -2.561 4.896 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.613 -2.389 4.565 1.00 0.00 H new ATOM 0 HG SER A 46 -10.235 -0.952 6.232 1.00 0.00 H new ATOM 654 N HIS A 47 -11.052 0.865 2.978 1.00 0.00 N ATOM 655 CA HIS A 47 -11.728 2.149 2.907 1.00 0.00 C ATOM 656 C HIS A 47 -10.751 3.217 2.412 1.00 0.00 C ATOM 657 O HIS A 47 -9.555 3.144 2.689 1.00 0.00 O ATOM 658 CB HIS A 47 -12.364 2.504 4.252 1.00 0.00 C ATOM 659 CG HIS A 47 -13.271 3.711 4.204 1.00 0.00 C ATOM 660 ND1 HIS A 47 -12.798 4.996 4.003 1.00 0.00 N ATOM 661 CD2 HIS A 47 -14.625 3.814 4.331 1.00 0.00 C ATOM 662 CE1 HIS A 47 -13.830 5.827 4.012 1.00 0.00 C ATOM 663 NE2 HIS A 47 -14.961 5.093 4.216 1.00 0.00 N ATOM 0 H HIS A 47 -10.035 0.921 3.031 1.00 0.00 H new ATOM 0 HA HIS A 47 -12.546 2.094 2.188 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -12.935 1.647 4.609 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -11.573 2.686 4.980 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -15.308 2.994 4.497 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -13.784 6.898 3.881 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -15.909 5.465 4.271 1.00 0.00 H new ATOM 671 N VAL A 48 -11.297 4.184 1.689 1.00 0.00 N ATOM 672 CA VAL A 48 -10.488 5.265 1.154 1.00 0.00 C ATOM 673 C VAL A 48 -11.346 6.526 1.033 1.00 0.00 C ATOM 674 O VAL A 48 -12.454 6.479 0.502 1.00 0.00 O ATOM 675 CB VAL A 48 -9.859 4.840 -0.175 1.00 0.00 C ATOM 676 CG1 VAL A 48 -10.906 4.220 -1.103 1.00 0.00 C ATOM 677 CG2 VAL A 48 -9.157 6.020 -0.851 1.00 0.00 C ATOM 0 H VAL A 48 -12.290 4.241 1.461 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.664 5.496 1.829 1.00 0.00 H new ATOM 0 HB VAL A 48 -9.107 4.080 0.037 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -10.433 3.927 -2.040 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -11.341 3.342 -0.626 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -11.691 4.949 -1.305 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -8.719 5.691 -1.793 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -9.881 6.812 -1.044 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -8.371 6.399 -0.198 1.00 0.00 H new ATOM 730 N SER A 52 -8.218 11.424 -1.205 1.00 0.00 N ATOM 731 CA SER A 52 -6.968 11.122 -0.529 1.00 0.00 C ATOM 732 C SER A 52 -5.847 10.944 -1.555 1.00 0.00 C ATOM 733 O SER A 52 -5.896 11.523 -2.639 1.00 0.00 O ATOM 734 CB SER A 52 -7.099 9.868 0.337 1.00 0.00 C ATOM 735 OG SER A 52 -7.039 8.674 -0.439 1.00 0.00 O ATOM 0 HA SER A 52 -6.723 11.959 0.125 1.00 0.00 H new ATOM 0 HB2 SER A 52 -6.303 9.857 1.081 1.00 0.00 H new ATOM 0 HB3 SER A 52 -8.043 9.900 0.881 1.00 0.00 H new ATOM 0 HG SER A 52 -6.805 7.919 0.140 1.00 0.00 H new ATOM 741 N LEU A 53 -4.865 10.139 -1.178 1.00 0.00 N ATOM 742 CA LEU A 53 -3.734 9.877 -2.052 1.00 0.00 C ATOM 743 C LEU A 53 -4.074 8.711 -2.982 1.00 0.00 C ATOM 744 O LEU A 53 -3.456 8.550 -4.033 1.00 0.00 O ATOM 745 CB LEU A 53 -2.462 9.658 -1.231 1.00 0.00 C ATOM 746 CG LEU A 53 -1.299 10.607 -1.531 1.00 0.00 C ATOM 747 CD1 LEU A 53 -0.078 10.265 -0.674 1.00 0.00 C ATOM 748 CD2 LEU A 53 -0.968 10.614 -3.024 1.00 0.00 C ATOM 0 H LEU A 53 -4.829 9.659 -0.279 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.532 10.742 -2.684 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.715 9.748 -0.175 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.121 8.635 -1.391 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.606 11.619 -1.265 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.734 10.954 -0.906 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.338 10.353 0.381 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.240 9.244 -0.885 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.138 11.296 -3.210 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.689 9.609 -3.339 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.841 10.942 -3.589 1.00 0.00 H new ATOM 760 N SER A 54 -5.057 7.927 -2.562 1.00 0.00 N ATOM 761 CA SER A 54 -5.487 6.781 -3.345 1.00 0.00 C ATOM 762 C SER A 54 -6.672 7.167 -4.231 1.00 0.00 C ATOM 763 O SER A 54 -6.841 6.621 -5.320 1.00 0.00 O ATOM 764 CB SER A 54 -5.861 5.606 -2.440 1.00 0.00 C ATOM 765 OG SER A 54 -5.103 5.597 -1.234 1.00 0.00 O ATOM 0 H SER A 54 -5.568 8.063 -1.690 1.00 0.00 H new ATOM 0 HA SER A 54 -4.656 6.468 -3.978 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.923 5.657 -2.200 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.700 4.671 -2.976 1.00 0.00 H new ATOM 0 HG SER A 54 -5.249 4.750 -0.762 1.00 0.00 H new ATOM 771 N ALA A 55 -7.462 8.106 -3.732 1.00 0.00 N ATOM 772 CA ALA A 55 -8.627 8.572 -4.466 1.00 0.00 C ATOM 773 C ALA A 55 -8.169 9.383 -5.680 1.00 0.00 C ATOM 774 O ALA A 55 -8.928 9.566 -6.630 1.00 0.00 O ATOM 775 CB ALA A 55 -9.529 9.380 -3.531 1.00 0.00 C ATOM 0 H ALA A 55 -7.319 8.557 -2.828 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.211 7.729 -4.835 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -10.403 9.730 -4.081 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.850 8.750 -2.701 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.977 10.237 -3.144 1.00 0.00 H new ATOM 781 N GLU A 56 -6.930 9.846 -5.608 1.00 0.00 N ATOM 782 CA GLU A 56 -6.362 10.633 -6.690 1.00 0.00 C ATOM 783 C GLU A 56 -5.936 9.722 -7.842 1.00 0.00 C ATOM 784 O GLU A 56 -6.019 10.108 -9.007 1.00 0.00 O ATOM 785 CB GLU A 56 -5.186 11.478 -6.195 1.00 0.00 C ATOM 786 CG GLU A 56 -4.124 10.601 -5.529 1.00 0.00 C ATOM 787 CD GLU A 56 -2.720 11.154 -5.781 1.00 0.00 C ATOM 788 OE1 GLU A 56 -2.574 12.393 -5.694 1.00 0.00 O ATOM 789 OE2 GLU A 56 -1.824 10.326 -6.055 1.00 0.00 O ATOM 0 H GLU A 56 -6.304 9.692 -4.818 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.128 11.316 -7.057 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.744 12.019 -7.032 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.543 12.225 -5.486 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.311 10.548 -4.456 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.193 9.584 -5.915 1.00 0.00 H new ATOM 796 N VAL A 57 -5.489 8.529 -7.477 1.00 0.00 N ATOM 797 CA VAL A 57 -5.049 7.560 -8.466 1.00 0.00 C ATOM 798 C VAL A 57 -6.263 6.802 -9.006 1.00 0.00 C ATOM 799 O VAL A 57 -6.226 6.271 -10.115 1.00 0.00 O ATOM 800 CB VAL A 57 -3.990 6.637 -7.860 1.00 0.00 C ATOM 801 CG1 VAL A 57 -3.180 7.364 -6.784 1.00 0.00 C ATOM 802 CG2 VAL A 57 -4.628 5.364 -7.299 1.00 0.00 C ATOM 0 H VAL A 57 -5.422 8.212 -6.510 1.00 0.00 H new ATOM 0 HA VAL A 57 -4.578 8.064 -9.310 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.305 6.346 -8.656 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.434 6.686 -6.369 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.680 8.226 -7.225 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.848 7.698 -5.990 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.853 4.725 -6.874 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.346 5.629 -6.523 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.140 4.830 -8.100 1.00 0.00 H new ATOM 812 N GLY A 58 -7.313 6.776 -8.197 1.00 0.00 N ATOM 813 CA GLY A 58 -8.536 6.093 -8.580 1.00 0.00 C ATOM 814 C GLY A 58 -8.631 4.722 -7.907 1.00 0.00 C ATOM 815 O GLY A 58 -9.075 3.754 -8.523 1.00 0.00 O ATOM 0 H GLY A 58 -7.341 7.217 -7.278 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -9.398 6.699 -8.302 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.566 5.974 -9.663 1.00 0.00 H new ATOM 819 N LEU A 59 -8.207 4.683 -6.653 1.00 0.00 N ATOM 820 CA LEU A 59 -8.240 3.447 -5.890 1.00 0.00 C ATOM 821 C LEU A 59 -9.627 3.271 -5.269 1.00 0.00 C ATOM 822 O LEU A 59 -10.293 4.252 -4.942 1.00 0.00 O ATOM 823 CB LEU A 59 -7.100 3.417 -4.869 1.00 0.00 C ATOM 824 CG LEU A 59 -5.771 2.844 -5.363 1.00 0.00 C ATOM 825 CD1 LEU A 59 -4.694 2.944 -4.281 1.00 0.00 C ATOM 826 CD2 LEU A 59 -5.946 1.409 -5.866 1.00 0.00 C ATOM 0 H LEU A 59 -7.839 5.488 -6.146 1.00 0.00 H new ATOM 0 HA LEU A 59 -8.074 2.591 -6.545 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.926 4.434 -4.519 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.426 2.834 -4.007 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.434 3.444 -6.209 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.759 2.529 -4.659 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.545 3.990 -4.012 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.010 2.384 -3.401 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.986 1.025 -6.212 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.317 0.782 -5.055 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.660 1.397 -6.690 1.00 0.00 H new ATOM 838 N GLU A 60 -10.021 2.015 -5.125 1.00 0.00 N ATOM 839 CA GLU A 60 -11.317 1.698 -4.549 1.00 0.00 C ATOM 840 C GLU A 60 -11.233 0.409 -3.729 1.00 0.00 C ATOM 841 O GLU A 60 -10.288 -0.364 -3.877 1.00 0.00 O ATOM 842 CB GLU A 60 -12.388 1.589 -5.636 1.00 0.00 C ATOM 843 CG GLU A 60 -12.382 2.824 -6.538 1.00 0.00 C ATOM 844 CD GLU A 60 -13.310 2.630 -7.740 1.00 0.00 C ATOM 845 OE1 GLU A 60 -13.026 1.706 -8.532 1.00 0.00 O ATOM 846 OE2 GLU A 60 -14.282 3.410 -7.838 1.00 0.00 O ATOM 0 H GLU A 60 -9.466 1.204 -5.397 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.605 2.511 -3.882 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -12.213 0.696 -6.236 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -13.369 1.476 -5.175 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -12.698 3.697 -5.967 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.368 3.020 -6.885 1.00 0.00 H new ATOM 853 N ILE A 61 -12.235 0.217 -2.884 1.00 0.00 N ATOM 854 CA ILE A 61 -12.286 -0.965 -2.041 1.00 0.00 C ATOM 855 C ILE A 61 -12.217 -2.216 -2.919 1.00 0.00 C ATOM 856 O ILE A 61 -13.030 -2.389 -3.826 1.00 0.00 O ATOM 857 CB ILE A 61 -13.515 -0.921 -1.130 1.00 0.00 C ATOM 858 CG1 ILE A 61 -13.453 0.279 -0.183 1.00 0.00 C ATOM 859 CG2 ILE A 61 -13.685 -2.240 -0.374 1.00 0.00 C ATOM 860 CD1 ILE A 61 -14.853 0.686 0.279 1.00 0.00 C ATOM 0 H ILE A 61 -13.018 0.860 -2.765 1.00 0.00 H new ATOM 0 HA ILE A 61 -11.424 -0.994 -1.374 1.00 0.00 H new ATOM 0 HB ILE A 61 -14.399 -0.792 -1.755 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -12.838 0.032 0.682 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -12.974 1.119 -0.686 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -14.565 -2.182 0.266 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -13.808 -3.055 -1.087 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -12.803 -2.424 0.239 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -14.780 1.541 0.951 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -15.458 0.955 -0.587 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -15.320 -0.148 0.803 1.00 0.00 H new ATOM 872 N GLY A 62 -11.237 -3.057 -2.620 1.00 0.00 N ATOM 873 CA GLY A 62 -11.050 -4.286 -3.371 1.00 0.00 C ATOM 874 C GLY A 62 -9.658 -4.336 -4.004 1.00 0.00 C ATOM 875 O GLY A 62 -9.029 -5.393 -4.047 1.00 0.00 O ATOM 0 H GLY A 62 -10.564 -2.911 -1.867 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -11.184 -5.143 -2.711 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.810 -4.360 -4.149 1.00 0.00 H new ATOM 879 N ASP A 63 -9.218 -3.181 -4.480 1.00 0.00 N ATOM 880 CA ASP A 63 -7.912 -3.079 -5.109 1.00 0.00 C ATOM 881 C ASP A 63 -6.869 -3.761 -4.221 1.00 0.00 C ATOM 882 O ASP A 63 -6.379 -3.166 -3.262 1.00 0.00 O ATOM 883 CB ASP A 63 -7.498 -1.617 -5.286 1.00 0.00 C ATOM 884 CG ASP A 63 -8.330 -0.828 -6.299 1.00 0.00 C ATOM 885 OD1 ASP A 63 -8.917 -1.485 -7.186 1.00 0.00 O ATOM 886 OD2 ASP A 63 -8.361 0.414 -6.163 1.00 0.00 O ATOM 0 H ASP A 63 -9.743 -2.307 -4.443 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.970 -3.558 -6.086 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -7.561 -1.118 -4.319 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -6.453 -1.586 -5.594 1.00 0.00 H new ATOM 891 N GLN A 64 -6.560 -5.001 -4.572 1.00 0.00 N ATOM 892 CA GLN A 64 -5.584 -5.771 -3.819 1.00 0.00 C ATOM 893 C GLN A 64 -4.166 -5.423 -4.276 1.00 0.00 C ATOM 894 O GLN A 64 -3.897 -5.349 -5.475 1.00 0.00 O ATOM 895 CB GLN A 64 -5.849 -7.271 -3.950 1.00 0.00 C ATOM 896 CG GLN A 64 -4.778 -8.084 -3.220 1.00 0.00 C ATOM 897 CD GLN A 64 -4.408 -9.340 -4.012 1.00 0.00 C ATOM 898 OE1 GLN A 64 -4.978 -9.643 -5.047 1.00 0.00 O ATOM 899 NE2 GLN A 64 -3.423 -10.050 -3.469 1.00 0.00 N ATOM 0 H GLN A 64 -6.968 -5.492 -5.368 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.680 -5.510 -2.765 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.831 -7.507 -3.541 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.867 -7.550 -5.004 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.890 -7.470 -3.069 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -5.141 -8.367 -2.232 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -2.989 -9.739 -2.600 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -3.101 -10.906 -3.922 1.00 0.00 H new ATOM 908 N ILE A 65 -3.296 -5.218 -3.298 1.00 0.00 N ATOM 909 CA ILE A 65 -1.912 -4.880 -3.586 1.00 0.00 C ATOM 910 C ILE A 65 -1.097 -6.166 -3.732 1.00 0.00 C ATOM 911 O ILE A 65 -0.873 -6.878 -2.755 1.00 0.00 O ATOM 912 CB ILE A 65 -1.364 -3.922 -2.527 1.00 0.00 C ATOM 913 CG1 ILE A 65 -2.292 -2.719 -2.342 1.00 0.00 C ATOM 914 CG2 ILE A 65 0.067 -3.495 -2.862 1.00 0.00 C ATOM 915 CD1 ILE A 65 -2.299 -2.251 -0.885 1.00 0.00 C ATOM 0 H ILE A 65 -3.522 -5.279 -2.305 1.00 0.00 H new ATOM 0 HA ILE A 65 -1.839 -4.347 -4.534 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.328 -4.451 -1.574 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.969 -1.903 -2.988 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.304 -2.985 -2.647 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.433 -2.814 -2.093 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.709 -4.375 -2.903 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.080 -2.991 -3.829 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.966 -1.395 -0.781 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.646 -3.062 -0.244 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.290 -1.962 -0.591 1.00 0.00 H new ATOM 927 N VAL A 66 -0.676 -6.425 -4.961 1.00 0.00 N ATOM 928 CA VAL A 66 0.110 -7.614 -5.248 1.00 0.00 C ATOM 929 C VAL A 66 1.588 -7.230 -5.350 1.00 0.00 C ATOM 930 O VAL A 66 2.465 -8.078 -5.191 1.00 0.00 O ATOM 931 CB VAL A 66 -0.418 -8.298 -6.511 1.00 0.00 C ATOM 932 CG1 VAL A 66 -1.906 -8.627 -6.374 1.00 0.00 C ATOM 933 CG2 VAL A 66 -0.158 -7.439 -7.750 1.00 0.00 C ATOM 0 H VAL A 66 -0.864 -5.832 -5.770 1.00 0.00 H new ATOM 0 HA VAL A 66 0.017 -8.338 -4.439 1.00 0.00 H new ATOM 0 HB VAL A 66 0.123 -9.236 -6.635 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.257 -9.112 -7.285 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.054 -9.296 -5.526 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.469 -7.707 -6.213 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.543 -7.948 -8.633 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.660 -6.478 -7.638 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.914 -7.278 -7.863 1.00 0.00 H new ATOM 943 N GLU A 67 1.818 -5.953 -5.614 1.00 0.00 N ATOM 944 CA GLU A 67 3.175 -5.447 -5.738 1.00 0.00 C ATOM 945 C GLU A 67 3.233 -3.976 -5.322 1.00 0.00 C ATOM 946 O GLU A 67 2.241 -3.257 -5.429 1.00 0.00 O ATOM 947 CB GLU A 67 3.701 -5.635 -7.163 1.00 0.00 C ATOM 948 CG GLU A 67 5.028 -4.899 -7.358 1.00 0.00 C ATOM 949 CD GLU A 67 5.471 -4.946 -8.822 1.00 0.00 C ATOM 950 OE1 GLU A 67 5.058 -5.905 -9.509 1.00 0.00 O ATOM 951 OE2 GLU A 67 6.211 -4.021 -9.221 1.00 0.00 O ATOM 0 H GLU A 67 1.088 -5.253 -5.746 1.00 0.00 H new ATOM 0 HA GLU A 67 3.818 -6.019 -5.069 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.836 -6.697 -7.368 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.966 -5.264 -7.878 1.00 0.00 H new ATOM 0 HG2 GLU A 67 4.923 -3.862 -7.039 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.794 -5.350 -6.728 1.00 0.00 H new ATOM 958 N VAL A 68 4.406 -3.572 -4.856 1.00 0.00 N ATOM 959 CA VAL A 68 4.606 -2.200 -4.422 1.00 0.00 C ATOM 960 C VAL A 68 6.081 -1.827 -4.591 1.00 0.00 C ATOM 961 O VAL A 68 6.957 -2.469 -4.014 1.00 0.00 O ATOM 962 CB VAL A 68 4.106 -2.026 -2.987 1.00 0.00 C ATOM 963 CG1 VAL A 68 4.330 -0.593 -2.499 1.00 0.00 C ATOM 964 CG2 VAL A 68 2.633 -2.421 -2.869 1.00 0.00 C ATOM 0 H VAL A 68 5.227 -4.171 -4.770 1.00 0.00 H new ATOM 0 HA VAL A 68 4.024 -1.515 -5.039 1.00 0.00 H new ATOM 0 HB VAL A 68 4.684 -2.692 -2.347 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.966 -0.496 -1.476 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.395 -0.361 -2.529 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.789 0.100 -3.144 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.302 -2.288 -1.839 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.034 -1.792 -3.527 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.512 -3.465 -3.157 1.00 0.00 H new ATOM 974 N ASN A 69 6.309 -0.790 -5.383 1.00 0.00 N ATOM 975 CA ASN A 69 7.662 -0.324 -5.635 1.00 0.00 C ATOM 976 C ASN A 69 8.540 -1.512 -6.034 1.00 0.00 C ATOM 977 O ASN A 69 9.746 -1.506 -5.792 1.00 0.00 O ATOM 978 CB ASN A 69 8.268 0.311 -4.382 1.00 0.00 C ATOM 979 CG ASN A 69 8.661 1.767 -4.640 1.00 0.00 C ATOM 980 OD1 ASN A 69 8.516 2.291 -5.732 1.00 0.00 O ATOM 981 ND2 ASN A 69 9.165 2.388 -3.578 1.00 0.00 N ATOM 0 H ASN A 69 5.579 -0.259 -5.859 1.00 0.00 H new ATOM 0 HA ASN A 69 7.620 0.419 -6.432 1.00 0.00 H new ATOM 0 HB2 ASN A 69 7.550 0.264 -3.563 1.00 0.00 H new ATOM 0 HB3 ASN A 69 9.145 -0.256 -4.070 1.00 0.00 H new ATOM 0 HD21 ASN A 69 9.458 3.363 -3.648 1.00 0.00 H new ATOM 0 HD22 ASN A 69 9.259 1.890 -2.693 1.00 0.00 H new ATOM 988 N GLY A 70 7.901 -2.503 -6.639 1.00 0.00 N ATOM 989 CA GLY A 70 8.609 -3.695 -7.074 1.00 0.00 C ATOM 990 C GLY A 70 8.746 -4.700 -5.928 1.00 0.00 C ATOM 991 O GLY A 70 9.656 -5.528 -5.929 1.00 0.00 O ATOM 0 H GLY A 70 6.901 -2.505 -6.838 1.00 0.00 H new ATOM 0 HA2 GLY A 70 8.076 -4.156 -7.905 1.00 0.00 H new ATOM 0 HA3 GLY A 70 9.598 -3.421 -7.442 1.00 0.00 H new ATOM 995 N VAL A 71 7.829 -4.594 -4.978 1.00 0.00 N ATOM 996 CA VAL A 71 7.836 -5.483 -3.828 1.00 0.00 C ATOM 997 C VAL A 71 6.810 -6.597 -4.045 1.00 0.00 C ATOM 998 O VAL A 71 5.887 -6.450 -4.844 1.00 0.00 O ATOM 999 CB VAL A 71 7.590 -4.684 -2.547 1.00 0.00 C ATOM 1000 CG1 VAL A 71 7.560 -5.604 -1.325 1.00 0.00 C ATOM 1001 CG2 VAL A 71 8.637 -3.582 -2.379 1.00 0.00 C ATOM 0 H VAL A 71 7.076 -3.906 -4.981 1.00 0.00 H new ATOM 0 HA VAL A 71 8.811 -5.956 -3.717 1.00 0.00 H new ATOM 0 HB VAL A 71 6.613 -4.207 -2.631 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.384 -5.011 -0.427 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.760 -6.335 -1.440 1.00 0.00 H new ATOM 0 HG13 VAL A 71 8.515 -6.122 -1.236 1.00 0.00 H new ATOM 0 HG21 VAL A 71 8.439 -3.029 -1.461 1.00 0.00 H new ATOM 0 HG22 VAL A 71 9.630 -4.028 -2.327 1.00 0.00 H new ATOM 0 HG23 VAL A 71 8.589 -2.902 -3.229 1.00 0.00 H new ATOM 1011 N ASP A 72 7.005 -7.688 -3.318 1.00 0.00 N ATOM 1012 CA ASP A 72 6.109 -8.826 -3.420 1.00 0.00 C ATOM 1013 C ASP A 72 5.041 -8.728 -2.328 1.00 0.00 C ATOM 1014 O ASP A 72 5.219 -9.256 -1.231 1.00 0.00 O ATOM 1015 CB ASP A 72 6.864 -10.142 -3.225 1.00 0.00 C ATOM 1016 CG ASP A 72 6.357 -11.310 -4.073 1.00 0.00 C ATOM 1017 OD1 ASP A 72 5.191 -11.227 -4.515 1.00 0.00 O ATOM 1018 OD2 ASP A 72 7.147 -12.261 -4.259 1.00 0.00 O ATOM 0 H ASP A 72 7.771 -7.807 -2.656 1.00 0.00 H new ATOM 0 HA ASP A 72 5.659 -8.812 -4.413 1.00 0.00 H new ATOM 0 HB2 ASP A 72 7.917 -9.977 -3.454 1.00 0.00 H new ATOM 0 HB3 ASP A 72 6.807 -10.424 -2.174 1.00 0.00 H new ATOM 1023 N PHE A 73 3.954 -8.050 -2.667 1.00 0.00 N ATOM 1024 CA PHE A 73 2.858 -7.876 -1.729 1.00 0.00 C ATOM 1025 C PHE A 73 1.795 -8.960 -1.922 1.00 0.00 C ATOM 1026 O PHE A 73 0.691 -8.853 -1.391 1.00 0.00 O ATOM 1027 CB PHE A 73 2.234 -6.510 -2.019 1.00 0.00 C ATOM 1028 CG PHE A 73 2.822 -5.369 -1.186 1.00 0.00 C ATOM 1029 CD1 PHE A 73 4.156 -5.111 -1.231 1.00 0.00 C ATOM 1030 CD2 PHE A 73 2.009 -4.612 -0.400 1.00 0.00 C ATOM 1031 CE1 PHE A 73 4.702 -4.052 -0.458 1.00 0.00 C ATOM 1032 CE2 PHE A 73 2.555 -3.553 0.372 1.00 0.00 C ATOM 1033 CZ PHE A 73 3.889 -3.295 0.327 1.00 0.00 C ATOM 0 H PHE A 73 3.809 -7.615 -3.578 1.00 0.00 H new ATOM 0 HA PHE A 73 3.229 -7.945 -0.706 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.364 -6.279 -3.076 1.00 0.00 H new ATOM 0 HB3 PHE A 73 1.161 -6.565 -1.835 1.00 0.00 H new ATOM 0 HD1 PHE A 73 4.801 -5.712 -1.855 1.00 0.00 H new ATOM 0 HD2 PHE A 73 0.949 -4.817 -0.363 1.00 0.00 H new ATOM 0 HE1 PHE A 73 5.762 -3.848 -0.493 1.00 0.00 H new ATOM 0 HE2 PHE A 73 1.910 -2.952 0.996 1.00 0.00 H new ATOM 0 HZ PHE A 73 4.303 -2.489 0.915 1.00 0.00 H new ATOM 1043 N SER A 74 2.166 -9.979 -2.683 1.00 0.00 N ATOM 1044 CA SER A 74 1.258 -11.081 -2.953 1.00 0.00 C ATOM 1045 C SER A 74 0.931 -11.819 -1.653 1.00 0.00 C ATOM 1046 O SER A 74 -0.198 -12.266 -1.456 1.00 0.00 O ATOM 1047 CB SER A 74 1.855 -12.049 -3.977 1.00 0.00 C ATOM 1048 OG SER A 74 0.919 -12.395 -4.993 1.00 0.00 O ATOM 0 H SER A 74 3.083 -10.065 -3.121 1.00 0.00 H new ATOM 0 HA SER A 74 0.339 -10.672 -3.373 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.735 -11.596 -4.434 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.189 -12.953 -3.469 1.00 0.00 H new ATOM 0 HG SER A 74 1.339 -13.013 -5.628 1.00 0.00 H new ATOM 1054 N ASN A 75 1.939 -11.923 -0.799 1.00 0.00 N ATOM 1055 CA ASN A 75 1.772 -12.599 0.476 1.00 0.00 C ATOM 1056 C ASN A 75 2.544 -11.839 1.556 1.00 0.00 C ATOM 1057 O ASN A 75 3.392 -12.413 2.238 1.00 0.00 O ATOM 1058 CB ASN A 75 2.320 -14.027 0.419 1.00 0.00 C ATOM 1059 CG ASN A 75 1.715 -14.800 -0.754 1.00 0.00 C ATOM 1060 OD1 ASN A 75 0.523 -15.055 -0.814 1.00 0.00 O ATOM 1061 ND2 ASN A 75 2.599 -15.158 -1.681 1.00 0.00 N ATOM 0 H ASN A 75 2.874 -11.550 -0.965 1.00 0.00 H new ATOM 0 HA ASN A 75 0.707 -12.631 0.704 1.00 0.00 H new ATOM 0 HB2 ASN A 75 3.405 -14.000 0.320 1.00 0.00 H new ATOM 0 HB3 ASN A 75 2.097 -14.543 1.353 1.00 0.00 H new ATOM 0 HD21 ASN A 75 2.293 -15.678 -2.504 1.00 0.00 H new ATOM 0 HD22 ASN A 75 3.583 -14.913 -1.569 1.00 0.00 H new ATOM 1068 N LEU A 76 2.224 -10.559 1.678 1.00 0.00 N ATOM 1069 CA LEU A 76 2.877 -9.715 2.663 1.00 0.00 C ATOM 1070 C LEU A 76 2.105 -9.787 3.982 1.00 0.00 C ATOM 1071 O LEU A 76 1.260 -10.662 4.164 1.00 0.00 O ATOM 1072 CB LEU A 76 3.043 -8.292 2.124 1.00 0.00 C ATOM 1073 CG LEU A 76 4.443 -7.920 1.632 1.00 0.00 C ATOM 1074 CD1 LEU A 76 4.524 -6.433 1.283 1.00 0.00 C ATOM 1075 CD2 LEU A 76 5.509 -8.329 2.651 1.00 0.00 C ATOM 0 H LEU A 76 1.521 -10.086 1.110 1.00 0.00 H new ATOM 0 HA LEU A 76 3.886 -10.075 2.864 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.341 -8.152 1.302 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.757 -7.592 2.909 1.00 0.00 H new ATOM 0 HG LEU A 76 4.643 -8.477 0.716 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.530 -6.195 0.936 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.805 -6.204 0.496 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.295 -5.839 2.168 1.00 0.00 H new ATOM 0 HD21 LEU A 76 6.495 -8.053 2.277 1.00 0.00 H new ATOM 0 HD22 LEU A 76 5.324 -7.818 3.596 1.00 0.00 H new ATOM 0 HD23 LEU A 76 5.469 -9.407 2.807 1.00 0.00 H new ATOM 1087 N ASP A 77 2.422 -8.854 4.868 1.00 0.00 N ATOM 1088 CA ASP A 77 1.769 -8.800 6.165 1.00 0.00 C ATOM 1089 C ASP A 77 1.271 -7.377 6.422 1.00 0.00 C ATOM 1090 O ASP A 77 1.621 -6.452 5.691 1.00 0.00 O ATOM 1091 CB ASP A 77 2.741 -9.171 7.287 1.00 0.00 C ATOM 1092 CG ASP A 77 2.167 -9.064 8.701 1.00 0.00 C ATOM 1093 OD1 ASP A 77 1.064 -9.614 8.909 1.00 0.00 O ATOM 1094 OD2 ASP A 77 2.844 -8.435 9.542 1.00 0.00 O ATOM 0 H ASP A 77 3.123 -8.129 4.713 1.00 0.00 H new ATOM 0 HA ASP A 77 0.942 -9.509 6.155 1.00 0.00 H new ATOM 0 HB2 ASP A 77 3.084 -10.193 7.127 1.00 0.00 H new ATOM 0 HB3 ASP A 77 3.617 -8.526 7.217 1.00 0.00 H new ATOM 1099 N HIS A 78 0.462 -7.246 7.463 1.00 0.00 N ATOM 1100 CA HIS A 78 -0.087 -5.951 7.826 1.00 0.00 C ATOM 1101 C HIS A 78 1.021 -5.066 8.400 1.00 0.00 C ATOM 1102 O HIS A 78 0.803 -3.883 8.660 1.00 0.00 O ATOM 1103 CB HIS A 78 -1.272 -6.111 8.780 1.00 0.00 C ATOM 1104 CG HIS A 78 -2.021 -4.828 9.052 1.00 0.00 C ATOM 1105 ND1 HIS A 78 -1.599 -3.897 9.985 1.00 0.00 N ATOM 1106 CD2 HIS A 78 -3.166 -4.331 8.502 1.00 0.00 C ATOM 1107 CE1 HIS A 78 -2.459 -2.890 9.990 1.00 0.00 C ATOM 1108 NE2 HIS A 78 -3.430 -3.161 9.070 1.00 0.00 N ATOM 0 H HIS A 78 0.174 -8.016 8.067 1.00 0.00 H new ATOM 0 HA HIS A 78 -0.476 -5.455 6.937 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -1.964 -6.842 8.363 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -0.912 -6.516 9.725 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -3.757 -4.808 7.735 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -2.402 -2.009 10.613 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -4.227 -2.563 8.854 1.00 0.00 H new ATOM 1116 N LYS A 79 2.185 -5.672 8.580 1.00 0.00 N ATOM 1117 CA LYS A 79 3.327 -4.954 9.118 1.00 0.00 C ATOM 1118 C LYS A 79 4.374 -4.770 8.017 1.00 0.00 C ATOM 1119 O LYS A 79 5.020 -3.726 7.939 1.00 0.00 O ATOM 1120 CB LYS A 79 3.865 -5.659 10.365 1.00 0.00 C ATOM 1121 CG LYS A 79 2.809 -5.695 11.472 1.00 0.00 C ATOM 1122 CD LYS A 79 3.376 -5.156 12.788 1.00 0.00 C ATOM 1123 CE LYS A 79 2.671 -5.790 13.989 1.00 0.00 C ATOM 1124 NZ LYS A 79 1.883 -4.775 14.722 1.00 0.00 N ATOM 0 H LYS A 79 2.362 -6.653 8.363 1.00 0.00 H new ATOM 0 HA LYS A 79 3.030 -3.958 9.446 1.00 0.00 H new ATOM 0 HB2 LYS A 79 4.166 -6.675 10.111 1.00 0.00 H new ATOM 0 HB3 LYS A 79 4.756 -5.143 10.723 1.00 0.00 H new ATOM 0 HG2 LYS A 79 1.944 -5.102 11.174 1.00 0.00 H new ATOM 0 HG3 LYS A 79 2.460 -6.718 11.614 1.00 0.00 H new ATOM 0 HD2 LYS A 79 4.445 -5.362 12.839 1.00 0.00 H new ATOM 0 HD3 LYS A 79 3.258 -4.073 12.823 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.016 -6.593 13.651 1.00 0.00 H new ATOM 0 HE3 LYS A 79 3.408 -6.238 14.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 1.411 -5.222 15.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 2.516 -4.022 15.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 1.167 -4.366 14.088 1.00 0.00 H new ATOM 1138 N GLU A 80 4.507 -5.799 7.194 1.00 0.00 N ATOM 1139 CA GLU A 80 5.464 -5.764 6.101 1.00 0.00 C ATOM 1140 C GLU A 80 4.933 -4.896 4.959 1.00 0.00 C ATOM 1141 O GLU A 80 5.702 -4.214 4.283 1.00 0.00 O ATOM 1142 CB GLU A 80 5.788 -7.177 5.610 1.00 0.00 C ATOM 1143 CG GLU A 80 6.391 -8.022 6.734 1.00 0.00 C ATOM 1144 CD GLU A 80 7.472 -8.961 6.194 1.00 0.00 C ATOM 1145 OE1 GLU A 80 7.296 -9.430 5.049 1.00 0.00 O ATOM 1146 OE2 GLU A 80 8.449 -9.189 6.939 1.00 0.00 O ATOM 0 H GLU A 80 3.968 -6.662 7.262 1.00 0.00 H new ATOM 0 HA GLU A 80 6.390 -5.321 6.469 1.00 0.00 H new ATOM 0 HB2 GLU A 80 4.881 -7.654 5.238 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.486 -7.125 4.775 1.00 0.00 H new ATOM 0 HG2 GLU A 80 6.818 -7.369 7.495 1.00 0.00 H new ATOM 0 HG3 GLU A 80 5.606 -8.604 7.217 1.00 0.00 H new ATOM 1153 N ALA A 81 3.621 -4.948 4.778 1.00 0.00 N ATOM 1154 CA ALA A 81 2.978 -4.175 3.729 1.00 0.00 C ATOM 1155 C ALA A 81 2.973 -2.696 4.122 1.00 0.00 C ATOM 1156 O ALA A 81 3.119 -1.823 3.269 1.00 0.00 O ATOM 1157 CB ALA A 81 1.569 -4.718 3.485 1.00 0.00 C ATOM 0 H ALA A 81 2.986 -5.514 5.341 1.00 0.00 H new ATOM 0 HA ALA A 81 3.529 -4.266 2.793 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.087 -4.138 2.698 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.629 -5.763 3.181 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.985 -4.641 4.402 1.00 0.00 H new ATOM 1163 N VAL A 82 2.803 -2.461 5.415 1.00 0.00 N ATOM 1164 CA VAL A 82 2.777 -1.103 5.932 1.00 0.00 C ATOM 1165 C VAL A 82 4.210 -0.578 6.046 1.00 0.00 C ATOM 1166 O VAL A 82 4.463 0.602 5.810 1.00 0.00 O ATOM 1167 CB VAL A 82 2.018 -1.063 7.259 1.00 0.00 C ATOM 1168 CG1 VAL A 82 2.227 0.276 7.970 1.00 0.00 C ATOM 1169 CG2 VAL A 82 0.529 -1.345 7.048 1.00 0.00 C ATOM 0 H VAL A 82 2.682 -3.188 6.120 1.00 0.00 H new ATOM 0 HA VAL A 82 2.243 -0.444 5.248 1.00 0.00 H new ATOM 0 HB VAL A 82 2.420 -1.849 7.899 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.677 0.278 8.911 1.00 0.00 H new ATOM 0 HG12 VAL A 82 3.289 0.420 8.170 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.865 1.085 7.336 1.00 0.00 H new ATOM 0 HG21 VAL A 82 0.013 -1.311 8.007 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.107 -0.593 6.382 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.405 -2.333 6.605 1.00 0.00 H new ATOM 1179 N ASN A 83 5.110 -1.481 6.409 1.00 0.00 N ATOM 1180 CA ASN A 83 6.510 -1.123 6.557 1.00 0.00 C ATOM 1181 C ASN A 83 7.072 -0.701 5.198 1.00 0.00 C ATOM 1182 O ASN A 83 7.740 0.325 5.090 1.00 0.00 O ATOM 1183 CB ASN A 83 7.332 -2.312 7.060 1.00 0.00 C ATOM 1184 CG ASN A 83 8.818 -1.957 7.141 1.00 0.00 C ATOM 1185 OD1 ASN A 83 9.269 -1.263 8.037 1.00 0.00 O ATOM 1186 ND2 ASN A 83 9.551 -2.469 6.157 1.00 0.00 N ATOM 0 H ASN A 83 4.897 -2.459 6.605 1.00 0.00 H new ATOM 0 HA ASN A 83 6.575 -0.308 7.278 1.00 0.00 H new ATOM 0 HB2 ASN A 83 6.973 -2.617 8.043 1.00 0.00 H new ATOM 0 HB3 ASN A 83 7.194 -3.163 6.393 1.00 0.00 H new ATOM 0 HD21 ASN A 83 10.554 -2.289 6.121 1.00 0.00 H new ATOM 0 HD22 ASN A 83 9.110 -3.042 5.438 1.00 0.00 H new ATOM 1193 N VAL A 84 6.779 -1.515 4.194 1.00 0.00 N ATOM 1194 CA VAL A 84 7.246 -1.239 2.846 1.00 0.00 C ATOM 1195 C VAL A 84 6.528 0.000 2.306 1.00 0.00 C ATOM 1196 O VAL A 84 7.087 0.744 1.501 1.00 0.00 O ATOM 1197 CB VAL A 84 7.054 -2.473 1.963 1.00 0.00 C ATOM 1198 CG1 VAL A 84 7.407 -2.165 0.506 1.00 0.00 C ATOM 1199 CG2 VAL A 84 7.873 -3.655 2.488 1.00 0.00 C ATOM 0 H VAL A 84 6.224 -2.366 4.287 1.00 0.00 H new ATOM 0 HA VAL A 84 8.314 -1.021 2.849 1.00 0.00 H new ATOM 0 HB VAL A 84 6.001 -2.752 2.000 1.00 0.00 H new ATOM 0 HG11 VAL A 84 7.262 -3.059 -0.100 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.763 -1.367 0.136 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.448 -1.849 0.443 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.719 -4.520 1.843 1.00 0.00 H new ATOM 0 HG22 VAL A 84 8.930 -3.391 2.494 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.554 -3.897 3.502 1.00 0.00 H new ATOM 1209 N LEU A 85 5.301 0.183 2.771 1.00 0.00 N ATOM 1210 CA LEU A 85 4.501 1.319 2.344 1.00 0.00 C ATOM 1211 C LEU A 85 4.996 2.581 3.055 1.00 0.00 C ATOM 1212 O LEU A 85 5.072 3.649 2.449 1.00 0.00 O ATOM 1213 CB LEU A 85 3.013 1.036 2.558 1.00 0.00 C ATOM 1214 CG LEU A 85 2.327 0.200 1.475 1.00 0.00 C ATOM 1215 CD1 LEU A 85 0.967 -0.310 1.956 1.00 0.00 C ATOM 1216 CD2 LEU A 85 2.215 0.984 0.166 1.00 0.00 C ATOM 0 H LEU A 85 4.841 -0.436 3.439 1.00 0.00 H new ATOM 0 HA LEU A 85 4.619 1.488 1.274 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.894 0.525 3.513 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.490 1.989 2.639 1.00 0.00 H new ATOM 0 HG LEU A 85 2.946 -0.674 1.274 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.501 -0.901 1.168 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.104 -0.930 2.842 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.327 0.537 2.201 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.724 0.367 -0.587 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.630 1.888 0.332 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.212 1.256 -0.182 1.00 0.00 H new ATOM 1228 N LYS A 86 5.319 2.416 4.329 1.00 0.00 N ATOM 1229 CA LYS A 86 5.804 3.528 5.128 1.00 0.00 C ATOM 1230 C LYS A 86 7.318 3.655 4.953 1.00 0.00 C ATOM 1231 O LYS A 86 7.928 4.599 5.453 1.00 0.00 O ATOM 1232 CB LYS A 86 5.364 3.373 6.585 1.00 0.00 C ATOM 1233 CG LYS A 86 6.435 2.651 7.407 1.00 0.00 C ATOM 1234 CD LYS A 86 5.988 2.481 8.860 1.00 0.00 C ATOM 1235 CE LYS A 86 4.868 1.444 8.972 1.00 0.00 C ATOM 1236 NZ LYS A 86 4.677 1.037 10.381 1.00 0.00 N ATOM 0 H LYS A 86 5.254 1.529 4.828 1.00 0.00 H new ATOM 0 HA LYS A 86 5.364 4.464 4.784 1.00 0.00 H new ATOM 0 HB2 LYS A 86 5.170 4.355 7.016 1.00 0.00 H new ATOM 0 HB3 LYS A 86 4.429 2.815 6.629 1.00 0.00 H new ATOM 0 HG2 LYS A 86 6.638 1.674 6.968 1.00 0.00 H new ATOM 0 HG3 LYS A 86 7.367 3.216 7.373 1.00 0.00 H new ATOM 0 HD2 LYS A 86 6.836 2.173 9.471 1.00 0.00 H new ATOM 0 HD3 LYS A 86 5.643 3.438 9.252 1.00 0.00 H new ATOM 0 HE2 LYS A 86 3.940 1.859 8.578 1.00 0.00 H new ATOM 0 HE3 LYS A 86 5.110 0.572 8.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 3.914 0.333 10.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 5.558 0.622 10.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 4.425 1.869 10.952 1.00 0.00 H new ATOM 1250 N SER A 87 7.882 2.690 4.240 1.00 0.00 N ATOM 1251 CA SER A 87 9.313 2.682 3.993 1.00 0.00 C ATOM 1252 C SER A 87 9.733 3.982 3.305 1.00 0.00 C ATOM 1253 O SER A 87 10.651 4.662 3.762 1.00 0.00 O ATOM 1254 CB SER A 87 9.718 1.477 3.141 1.00 0.00 C ATOM 1255 OG SER A 87 10.699 0.670 3.788 1.00 0.00 O ATOM 0 H SER A 87 7.373 1.909 3.826 1.00 0.00 H new ATOM 0 HA SER A 87 9.825 2.604 4.952 1.00 0.00 H new ATOM 0 HB2 SER A 87 8.837 0.873 2.926 1.00 0.00 H new ATOM 0 HB3 SER A 87 10.108 1.824 2.184 1.00 0.00 H new ATOM 0 HG SER A 87 10.929 -0.089 3.213 1.00 0.00 H new ATOM 1261 N SER A 88 9.041 4.289 2.218 1.00 0.00 N ATOM 1262 CA SER A 88 9.331 5.497 1.463 1.00 0.00 C ATOM 1263 C SER A 88 8.030 6.230 1.129 1.00 0.00 C ATOM 1264 O SER A 88 6.943 5.741 1.431 1.00 0.00 O ATOM 1265 CB SER A 88 10.101 5.173 0.181 1.00 0.00 C ATOM 1266 OG SER A 88 11.173 6.085 -0.042 1.00 0.00 O ATOM 0 H SER A 88 8.281 3.723 1.842 1.00 0.00 H new ATOM 0 HA SER A 88 9.957 6.143 2.078 1.00 0.00 H new ATOM 0 HB2 SER A 88 10.495 4.158 0.241 1.00 0.00 H new ATOM 0 HB3 SER A 88 9.419 5.201 -0.669 1.00 0.00 H new ATOM 0 HG SER A 88 11.641 5.844 -0.869 1.00 0.00 H new ATOM 1272 N ARG A 89 8.185 7.391 0.511 1.00 0.00 N ATOM 1273 CA ARG A 89 7.036 8.197 0.133 1.00 0.00 C ATOM 1274 C ARG A 89 6.518 7.770 -1.242 1.00 0.00 C ATOM 1275 O ARG A 89 5.369 7.350 -1.373 1.00 0.00 O ATOM 1276 CB ARG A 89 7.394 9.684 0.096 1.00 0.00 C ATOM 1277 CG ARG A 89 8.245 10.073 1.307 1.00 0.00 C ATOM 1278 CD ARG A 89 7.383 10.200 2.565 1.00 0.00 C ATOM 1279 NE ARG A 89 8.137 9.722 3.745 1.00 0.00 N ATOM 1280 CZ ARG A 89 7.768 9.947 5.014 1.00 0.00 C ATOM 1281 NH1 ARG A 89 6.653 10.643 5.274 1.00 0.00 N ATOM 1282 NH2 ARG A 89 8.514 9.475 6.022 1.00 0.00 N ATOM 0 H ARG A 89 9.089 7.793 0.262 1.00 0.00 H new ATOM 0 HA ARG A 89 6.260 8.041 0.883 1.00 0.00 H new ATOM 0 HB2 ARG A 89 7.937 9.908 -0.822 1.00 0.00 H new ATOM 0 HB3 ARG A 89 6.482 10.281 0.081 1.00 0.00 H new ATOM 0 HG2 ARG A 89 9.020 9.324 1.467 1.00 0.00 H new ATOM 0 HG3 ARG A 89 8.751 11.018 1.112 1.00 0.00 H new ATOM 0 HD2 ARG A 89 7.086 11.239 2.709 1.00 0.00 H new ATOM 0 HD3 ARG A 89 6.467 9.620 2.449 1.00 0.00 H new ATOM 0 HE ARG A 89 8.991 9.188 3.583 1.00 0.00 H new ATOM 0 HH11 ARG A 89 6.085 11.002 4.506 1.00 0.00 H new ATOM 0 HH12 ARG A 89 6.372 10.814 6.240 1.00 0.00 H new ATOM 0 HH21 ARG A 89 9.362 8.945 5.824 1.00 0.00 H new ATOM 0 HH22 ARG A 89 8.233 9.646 6.988 1.00 0.00 H new ATOM 1296 N SER A 90 7.389 7.893 -2.232 1.00 0.00 N ATOM 1297 CA SER A 90 7.034 7.525 -3.592 1.00 0.00 C ATOM 1298 C SER A 90 7.171 6.012 -3.778 1.00 0.00 C ATOM 1299 O SER A 90 8.269 5.468 -3.675 1.00 0.00 O ATOM 1300 CB SER A 90 7.905 8.265 -4.608 1.00 0.00 C ATOM 1301 OG SER A 90 8.343 9.529 -4.116 1.00 0.00 O ATOM 0 H SER A 90 8.341 8.243 -2.120 1.00 0.00 H new ATOM 0 HA SER A 90 5.997 7.813 -3.764 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.772 7.653 -4.856 1.00 0.00 H new ATOM 0 HB3 SER A 90 7.342 8.410 -5.530 1.00 0.00 H new ATOM 0 HG SER A 90 8.898 9.969 -4.793 1.00 0.00 H new ATOM 1307 N LEU A 91 6.040 5.377 -4.048 1.00 0.00 N ATOM 1308 CA LEU A 91 6.020 3.938 -4.249 1.00 0.00 C ATOM 1309 C LEU A 91 5.069 3.601 -5.399 1.00 0.00 C ATOM 1310 O LEU A 91 4.086 4.306 -5.623 1.00 0.00 O ATOM 1311 CB LEU A 91 5.682 3.219 -2.941 1.00 0.00 C ATOM 1312 CG LEU A 91 6.564 3.564 -1.739 1.00 0.00 C ATOM 1313 CD1 LEU A 91 5.724 4.109 -0.582 1.00 0.00 C ATOM 1314 CD2 LEU A 91 7.411 2.362 -1.317 1.00 0.00 C ATOM 0 H LEU A 91 5.131 5.832 -4.132 1.00 0.00 H new ATOM 0 HA LEU A 91 7.008 3.580 -4.537 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.647 3.443 -2.683 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.742 2.145 -3.114 1.00 0.00 H new ATOM 0 HG LEU A 91 7.254 4.354 -2.036 1.00 0.00 H new ATOM 0 HD11 LEU A 91 6.375 4.346 0.260 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.203 5.011 -0.904 1.00 0.00 H new ATOM 0 HD13 LEU A 91 4.995 3.358 -0.277 1.00 0.00 H new ATOM 0 HD21 LEU A 91 8.028 2.634 -0.461 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.757 1.534 -1.044 1.00 0.00 H new ATOM 0 HD23 LEU A 91 8.052 2.060 -2.145 1.00 0.00 H new ATOM 1326 N THR A 92 5.394 2.524 -6.098 1.00 0.00 N ATOM 1327 CA THR A 92 4.581 2.085 -7.220 1.00 0.00 C ATOM 1328 C THR A 92 3.778 0.840 -6.841 1.00 0.00 C ATOM 1329 O THR A 92 4.322 -0.262 -6.786 1.00 0.00 O ATOM 1330 CB THR A 92 5.506 1.870 -8.419 1.00 0.00 C ATOM 1331 OG1 THR A 92 5.915 3.186 -8.782 1.00 0.00 O ATOM 1332 CG2 THR A 92 4.758 1.359 -9.652 1.00 0.00 C ATOM 0 H THR A 92 6.210 1.942 -5.909 1.00 0.00 H new ATOM 0 HA THR A 92 3.843 2.839 -7.493 1.00 0.00 H new ATOM 0 HB THR A 92 6.289 1.161 -8.150 1.00 0.00 H new ATOM 0 HG1 THR A 92 5.125 3.756 -8.889 1.00 0.00 H new ATOM 0 HG21 THR A 92 5.461 1.223 -10.474 1.00 0.00 H new ATOM 0 HG22 THR A 92 4.283 0.406 -9.420 1.00 0.00 H new ATOM 0 HG23 THR A 92 3.997 2.083 -9.942 1.00 0.00 H new ATOM 1340 N ILE A 93 2.495 1.056 -6.589 1.00 0.00 N ATOM 1341 CA ILE A 93 1.611 -0.036 -6.216 1.00 0.00 C ATOM 1342 C ILE A 93 0.999 -0.644 -7.480 1.00 0.00 C ATOM 1343 O ILE A 93 0.627 0.079 -8.403 1.00 0.00 O ATOM 1344 CB ILE A 93 0.573 0.439 -5.197 1.00 0.00 C ATOM 1345 CG1 ILE A 93 1.251 1.016 -3.953 1.00 0.00 C ATOM 1346 CG2 ILE A 93 -0.405 -0.684 -4.848 1.00 0.00 C ATOM 1347 CD1 ILE A 93 0.375 2.086 -3.298 1.00 0.00 C ATOM 0 H ILE A 93 2.046 1.971 -6.636 1.00 0.00 H new ATOM 0 HA ILE A 93 2.171 -0.828 -5.719 1.00 0.00 H new ATOM 0 HB ILE A 93 -0.008 1.243 -5.649 1.00 0.00 H new ATOM 0 HG12 ILE A 93 1.450 0.217 -3.239 1.00 0.00 H new ATOM 0 HG13 ILE A 93 2.214 1.447 -4.226 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -1.132 -0.321 -4.122 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -0.924 -1.008 -5.750 1.00 0.00 H new ATOM 0 HG23 ILE A 93 0.143 -1.525 -4.423 1.00 0.00 H new ATOM 0 HD11 ILE A 93 0.880 2.480 -2.416 1.00 0.00 H new ATOM 0 HD12 ILE A 93 0.198 2.895 -4.007 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -0.578 1.646 -3.004 1.00 0.00 H new ATOM 1359 N SER A 94 0.913 -1.966 -7.480 1.00 0.00 N ATOM 1360 CA SER A 94 0.353 -2.679 -8.615 1.00 0.00 C ATOM 1361 C SER A 94 -0.815 -3.555 -8.157 1.00 0.00 C ATOM 1362 O SER A 94 -0.607 -4.641 -7.617 1.00 0.00 O ATOM 1363 CB SER A 94 1.416 -3.533 -9.309 1.00 0.00 C ATOM 1364 OG SER A 94 1.779 -3.003 -10.581 1.00 0.00 O ATOM 0 H SER A 94 1.222 -2.562 -6.712 1.00 0.00 H new ATOM 0 HA SER A 94 -0.011 -1.945 -9.334 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.301 -3.595 -8.676 1.00 0.00 H new ATOM 0 HB3 SER A 94 1.041 -4.549 -9.433 1.00 0.00 H new ATOM 0 HG SER A 94 2.461 -3.575 -10.991 1.00 0.00 H new ATOM 1370 N ILE A 95 -2.018 -3.051 -8.389 1.00 0.00 N ATOM 1371 CA ILE A 95 -3.219 -3.774 -8.008 1.00 0.00 C ATOM 1372 C ILE A 95 -3.802 -4.471 -9.238 1.00 0.00 C ATOM 1373 O ILE A 95 -3.316 -4.282 -10.352 1.00 0.00 O ATOM 1374 CB ILE A 95 -4.207 -2.840 -7.305 1.00 0.00 C ATOM 1375 CG1 ILE A 95 -4.516 -1.617 -8.171 1.00 0.00 C ATOM 1376 CG2 ILE A 95 -3.695 -2.445 -5.918 1.00 0.00 C ATOM 1377 CD1 ILE A 95 -6.011 -1.295 -8.150 1.00 0.00 C ATOM 0 H ILE A 95 -2.187 -2.150 -8.836 1.00 0.00 H new ATOM 0 HA ILE A 95 -2.980 -4.552 -7.283 1.00 0.00 H new ATOM 0 HB ILE A 95 -5.144 -3.378 -7.162 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -3.950 -0.758 -7.809 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -4.194 -1.802 -9.196 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -4.415 -1.781 -5.440 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -3.566 -3.340 -5.309 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -2.738 -1.932 -6.016 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.204 -0.422 -8.773 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -6.572 -2.147 -8.535 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.324 -1.087 -7.127 1.00 0.00 H new ATOM 1389 N VAL A 96 -4.837 -5.263 -8.995 1.00 0.00 N ATOM 1390 CA VAL A 96 -5.491 -5.990 -10.070 1.00 0.00 C ATOM 1391 C VAL A 96 -6.901 -5.432 -10.273 1.00 0.00 C ATOM 1392 O VAL A 96 -7.825 -6.174 -10.602 1.00 0.00 O ATOM 1393 CB VAL A 96 -5.480 -7.490 -9.770 1.00 0.00 C ATOM 1394 CG1 VAL A 96 -6.316 -8.260 -10.794 1.00 0.00 C ATOM 1395 CG2 VAL A 96 -4.048 -8.027 -9.716 1.00 0.00 C ATOM 0 H VAL A 96 -5.238 -5.417 -8.070 1.00 0.00 H new ATOM 0 HA VAL A 96 -4.950 -5.855 -11.006 1.00 0.00 H new ATOM 0 HB VAL A 96 -5.931 -7.639 -8.789 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -6.291 -9.324 -10.558 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -7.346 -7.905 -10.763 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.907 -8.100 -11.792 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.068 -9.095 -9.501 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -3.560 -7.859 -10.676 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.495 -7.510 -8.932 1.00 0.00 H new ATOM 1405 N ALA A 97 -7.022 -4.128 -10.067 1.00 0.00 N ATOM 1406 CA ALA A 97 -8.304 -3.462 -10.223 1.00 0.00 C ATOM 1407 C ALA A 97 -9.390 -4.284 -9.525 1.00 0.00 C ATOM 1408 O ALA A 97 -9.952 -5.205 -10.116 1.00 0.00 O ATOM 1409 CB ALA A 97 -8.595 -3.256 -11.711 1.00 0.00 C ATOM 0 H ALA A 97 -6.253 -3.516 -9.794 1.00 0.00 H new ATOM 0 HA ALA A 97 -8.284 -2.478 -9.755 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -9.557 -2.756 -11.828 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -7.811 -2.642 -12.153 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -8.625 -4.223 -12.213 1.00 0.00 H new ATOM 1415 N ALA A 98 -9.652 -3.922 -8.278 1.00 0.00 N ATOM 1416 CA ALA A 98 -10.660 -4.615 -7.494 1.00 0.00 C ATOM 1417 C ALA A 98 -10.442 -6.125 -7.610 1.00 0.00 C ATOM 1418 O ALA A 98 -11.341 -6.856 -8.023 1.00 0.00 O ATOM 1419 CB ALA A 98 -12.053 -4.189 -7.962 1.00 0.00 C ATOM 0 H ALA A 98 -9.184 -3.158 -7.791 1.00 0.00 H new ATOM 0 HA ALA A 98 -10.575 -4.350 -6.440 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -12.809 -4.709 -7.374 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -12.168 -3.113 -7.831 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -12.176 -4.441 -9.015 1.00 0.00 H new ATOM 1425 N ALA A 99 -9.242 -6.548 -7.238 1.00 0.00 N ATOM 1426 CA ALA A 99 -8.895 -7.957 -7.296 1.00 0.00 C ATOM 1427 C ALA A 99 -9.830 -8.747 -6.378 1.00 0.00 C ATOM 1428 O ALA A 99 -10.653 -9.529 -6.849 1.00 0.00 O ATOM 1429 CB ALA A 99 -7.422 -8.136 -6.922 1.00 0.00 C ATOM 0 H ALA A 99 -8.499 -5.939 -6.896 1.00 0.00 H new ATOM 0 HA ALA A 99 -9.024 -8.342 -8.307 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -7.161 -9.194 -6.965 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -6.799 -7.580 -7.622 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -7.255 -7.763 -5.912 1.00 0.00 H new ATOM 1435 N GLY A 100 -9.671 -8.514 -5.083 1.00 0.00 N ATOM 1436 CA GLY A 100 -10.490 -9.193 -4.094 1.00 0.00 C ATOM 1437 C GLY A 100 -11.586 -8.268 -3.561 1.00 0.00 C ATOM 1438 O GLY A 100 -11.672 -8.031 -2.357 1.00 0.00 O ATOM 0 H GLY A 100 -8.987 -7.864 -4.696 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -10.942 -10.080 -4.538 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.864 -9.533 -3.269 1.00 0.00 H new ATOM 1442 N ARG A 101 -12.396 -7.770 -4.483 1.00 0.00 N ATOM 1443 CA ARG A 101 -13.483 -6.876 -4.121 1.00 0.00 C ATOM 1444 C ARG A 101 -14.527 -7.621 -3.286 1.00 0.00 C ATOM 1445 O ARG A 101 -15.147 -7.039 -2.397 1.00 0.00 O ATOM 1446 CB ARG A 101 -14.155 -6.293 -5.365 1.00 0.00 C ATOM 1447 CG ARG A 101 -14.081 -4.765 -5.365 1.00 0.00 C ATOM 1448 CD ARG A 101 -15.216 -4.160 -6.194 1.00 0.00 C ATOM 1449 NE ARG A 101 -14.676 -3.148 -7.129 1.00 0.00 N ATOM 1450 CZ ARG A 101 -14.400 -1.882 -6.788 1.00 0.00 C ATOM 1451 NH1 ARG A 101 -14.613 -1.465 -5.532 1.00 0.00 N ATOM 1452 NH2 ARG A 101 -13.913 -1.033 -7.703 1.00 0.00 N ATOM 0 H ARG A 101 -12.322 -7.969 -5.481 1.00 0.00 H new ATOM 0 HA ARG A 101 -13.060 -6.060 -3.536 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -13.671 -6.684 -6.260 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -15.197 -6.610 -5.402 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -14.137 -4.395 -4.341 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -13.121 -4.444 -5.768 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -15.729 -4.944 -6.751 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -15.954 -3.702 -5.536 1.00 0.00 H new ATOM 0 HE ARG A 101 -14.503 -3.432 -8.093 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -14.985 -2.111 -4.836 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -14.403 -0.501 -5.272 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -13.752 -1.350 -8.659 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -13.703 -0.069 -7.444 1.00 0.00 H new ATOM 1466 N GLU A 102 -14.690 -8.897 -3.603 1.00 0.00 N ATOM 1467 CA GLU A 102 -15.649 -9.727 -2.893 1.00 0.00 C ATOM 1468 C GLU A 102 -15.455 -9.589 -1.382 1.00 0.00 C ATOM 1469 O GLU A 102 -16.427 -9.512 -0.632 1.00 0.00 O ATOM 1470 CB GLU A 102 -15.536 -11.189 -3.329 1.00 0.00 C ATOM 1471 CG GLU A 102 -14.118 -11.719 -3.108 1.00 0.00 C ATOM 1472 CD GLU A 102 -13.931 -13.081 -3.781 1.00 0.00 C ATOM 1473 OE1 GLU A 102 -14.674 -14.010 -3.398 1.00 0.00 O ATOM 1474 OE2 GLU A 102 -13.048 -13.162 -4.662 1.00 0.00 O ATOM 0 H GLU A 102 -14.175 -9.376 -4.341 1.00 0.00 H new ATOM 0 HA GLU A 102 -16.653 -9.384 -3.143 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -16.246 -11.796 -2.767 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -15.802 -11.280 -4.382 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -13.394 -11.009 -3.508 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -13.921 -11.807 -2.040 1.00 0.00 H new ATOM 1481 N LEU A 103 -14.193 -9.561 -0.980 1.00 0.00 N ATOM 1482 CA LEU A 103 -13.859 -9.433 0.429 1.00 0.00 C ATOM 1483 C LEU A 103 -14.791 -8.409 1.079 1.00 0.00 C ATOM 1484 O LEU A 103 -15.284 -8.627 2.184 1.00 0.00 O ATOM 1485 CB LEU A 103 -12.374 -9.108 0.600 1.00 0.00 C ATOM 1486 CG LEU A 103 -11.393 -10.110 -0.014 1.00 0.00 C ATOM 1487 CD1 LEU A 103 -9.947 -9.735 0.318 1.00 0.00 C ATOM 1488 CD2 LEU A 103 -11.727 -11.539 0.417 1.00 0.00 C ATOM 0 H LEU A 103 -13.389 -9.625 -1.605 1.00 0.00 H new ATOM 0 HA LEU A 103 -14.016 -10.380 0.945 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -12.184 -8.128 0.162 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -12.160 -9.027 1.666 1.00 0.00 H new ATOM 0 HG LEU A 103 -11.496 -10.068 -1.098 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -9.270 -10.463 -0.130 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -9.728 -8.744 -0.079 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -9.811 -9.731 1.400 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -11.015 -12.231 -0.033 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -11.669 -11.614 1.503 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -12.735 -11.792 0.089 1.00 0.00 H new ATOM 1500 N PHE A 104 -15.006 -7.314 0.364 1.00 0.00 N ATOM 1501 CA PHE A 104 -15.870 -6.256 0.857 1.00 0.00 C ATOM 1502 C PHE A 104 -17.166 -6.184 0.047 1.00 0.00 C ATOM 1503 O PHE A 104 -17.516 -5.129 -0.479 1.00 0.00 O ATOM 1504 CB PHE A 104 -15.106 -4.941 0.692 1.00 0.00 C ATOM 1505 CG PHE A 104 -13.650 -5.004 1.156 1.00 0.00 C ATOM 1506 CD1 PHE A 104 -13.343 -4.791 2.463 1.00 0.00 C ATOM 1507 CD2 PHE A 104 -12.662 -5.274 0.261 1.00 0.00 C ATOM 1508 CE1 PHE A 104 -11.991 -4.851 2.894 1.00 0.00 C ATOM 1509 CE2 PHE A 104 -11.310 -5.333 0.691 1.00 0.00 C ATOM 1510 CZ PHE A 104 -11.003 -5.121 1.999 1.00 0.00 C ATOM 0 H PHE A 104 -14.596 -7.137 -0.553 1.00 0.00 H new ATOM 0 HA PHE A 104 -16.133 -6.446 1.898 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -15.130 -4.648 -0.358 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -15.621 -4.161 1.252 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -14.127 -4.576 3.174 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -12.906 -5.444 -0.777 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -11.747 -4.682 3.933 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -10.526 -5.546 -0.020 1.00 0.00 H new ATOM 0 HZ PHE A 104 -9.975 -5.167 2.327 1.00 0.00 H new