USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 827 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 Single : A 5 THR OG1 : rot 180:sc= 0.0127 USER MOD Single : A 7 LYS NZ :NH3+ -138:sc= -0.261 (180deg=-1.6) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot -15:sc= -0.505! USER MOD Single : A 26 THR OG1 : rot -36:sc= 0.251 USER MOD Single : A 27 GLN : amide:sc= -2.04 K(o=-2,f=-1.3) USER MOD Single : A 30 ASN : amide:sc= -0.296 X(o=-0.3,f=-0.7) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.758 USER MOD Single : A 35 LYS NZ :NH3+ -127:sc= -0.0303 (180deg=-0.152) USER MOD Single : A 37 SER OG : rot 180:sc= -0.362 USER MOD Single : A 38 SER OG : rot 180:sc= -0.204 USER MOD Single : A 39 ASN : amide:sc= -0.0118 X(o=-0.012,f=0.13) USER MOD Single : A 42 ASN : amide:sc= -0.0546 X(o=-0.055,f=-0.053) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 79:sc= 0.713 USER MOD Single : A 64 THR OG1 : rot 67:sc= -0.29 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 52:sc= 0.374 USER MOD Single : A 69 MET CE :methyl -114:sc= -0.435 (180deg=-0.857) USER MOD Single : A 72 ASN : amide:sc= -1.79 X(o=-1.8,f=-2.2) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= -1.43 K(o=-1.4,f=-0.38) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot -106:sc= 0.0181 USER MOD Single : A 96 ASN : amide:sc= -0.387 K(o=-0.39,f=-2.9!) USER MOD Single : A 100 GLN : amide:sc= -0.363 K(o=-0.36,f=-1.1) USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.643 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot -170:sc= 0 USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 13 N PHE A 2 11.572 -9.788 3.568 1.00 0.00 N ATOM 14 CA PHE A 2 10.316 -9.883 4.323 1.00 0.00 C ATOM 15 C PHE A 2 10.756 -10.397 5.698 1.00 0.00 C ATOM 16 O PHE A 2 10.203 -11.380 6.200 1.00 0.00 O ATOM 17 CB PHE A 2 9.306 -10.825 3.691 1.00 0.00 C ATOM 18 CG PHE A 2 8.667 -10.306 2.419 1.00 0.00 C ATOM 19 CD1 PHE A 2 8.088 -9.062 2.253 1.00 0.00 C ATOM 20 CD2 PHE A 2 8.674 -11.146 1.340 1.00 0.00 C ATOM 21 CE1 PHE A 2 7.549 -8.767 1.000 1.00 0.00 C ATOM 22 CE2 PHE A 2 8.113 -10.736 0.154 1.00 0.00 C ATOM 23 CZ PHE A 2 7.583 -9.650 -0.051 1.00 0.00 C ATOM 0 HA PHE A 2 9.801 -8.923 4.359 1.00 0.00 H new ATOM 0 HB2 PHE A 2 9.799 -11.772 3.473 1.00 0.00 H new ATOM 0 HB3 PHE A 2 8.520 -11.034 4.417 1.00 0.00 H new ATOM 0 HD1 PHE A 2 8.054 -8.346 3.061 1.00 0.00 H new ATOM 0 HD2 PHE A 2 9.118 -12.127 1.419 1.00 0.00 H new ATOM 0 HE1 PHE A 2 7.085 -7.803 0.851 1.00 0.00 H new ATOM 0 HE2 PHE A 2 8.142 -11.433 -0.671 1.00 0.00 H new ATOM 0 HZ PHE A 2 7.162 -9.399 -1.014 1.00 0.00 H new ATOM 33 N ASP A 3 11.769 -9.682 6.256 1.00 0.00 N ATOM 34 CA ASP A 3 12.210 -10.127 7.546 1.00 0.00 C ATOM 35 C ASP A 3 12.733 -9.033 8.454 1.00 0.00 C ATOM 36 O ASP A 3 13.919 -9.101 8.803 1.00 0.00 O ATOM 37 CB ASP A 3 13.354 -11.120 7.282 1.00 0.00 C ATOM 38 CG ASP A 3 13.711 -11.993 8.482 1.00 0.00 C ATOM 39 OD1 ASP A 3 13.264 -11.701 9.600 1.00 0.00 O ATOM 40 OD2 ASP A 3 14.436 -12.992 8.389 1.00 0.00 O ATOM 0 H ASP A 3 12.241 -8.871 5.855 1.00 0.00 H new ATOM 0 HA ASP A 3 11.351 -10.552 8.065 1.00 0.00 H new ATOM 0 HB2 ASP A 3 13.076 -11.764 6.448 1.00 0.00 H new ATOM 0 HB3 ASP A 3 14.240 -10.564 6.975 1.00 0.00 H new ATOM 45 N GLY A 4 11.830 -8.093 8.789 1.00 0.00 N ATOM 46 CA GLY A 4 12.331 -7.031 9.678 1.00 0.00 C ATOM 47 C GLY A 4 11.600 -5.751 9.315 1.00 0.00 C ATOM 48 O GLY A 4 10.831 -5.847 8.363 1.00 0.00 O ATOM 0 H GLY A 4 10.854 -8.041 8.497 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.155 -7.290 10.722 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.407 -6.906 9.557 1.00 0.00 H new ATOM 52 N THR A 5 11.870 -4.658 10.068 1.00 0.00 N ATOM 53 CA THR A 5 11.160 -3.439 9.707 1.00 0.00 C ATOM 54 C THR A 5 11.745 -2.883 8.398 1.00 0.00 C ATOM 55 O THR A 5 12.793 -3.407 8.036 1.00 0.00 O ATOM 56 CB THR A 5 11.519 -2.399 10.760 1.00 0.00 C ATOM 57 OG1 THR A 5 12.881 -2.364 11.008 1.00 0.00 O ATOM 58 CG2 THR A 5 10.770 -2.581 12.103 1.00 0.00 C ATOM 0 H THR A 5 12.515 -4.603 10.856 1.00 0.00 H new ATOM 0 HA THR A 5 10.092 -3.640 9.622 1.00 0.00 H new ATOM 0 HB THR A 5 11.196 -1.452 10.327 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.072 -1.684 11.687 1.00 0.00 H new ATOM 0 HG21 THR A 5 11.079 -1.803 12.801 1.00 0.00 H new ATOM 0 HG22 THR A 5 9.696 -2.510 11.933 1.00 0.00 H new ATOM 0 HG23 THR A 5 11.007 -3.559 12.522 1.00 0.00 H new ATOM 66 N TRP A 6 11.052 -1.906 7.808 1.00 0.00 N ATOM 67 CA TRP A 6 11.346 -1.228 6.606 1.00 0.00 C ATOM 68 C TRP A 6 10.916 0.248 6.643 1.00 0.00 C ATOM 69 O TRP A 6 9.910 0.405 7.295 1.00 0.00 O ATOM 70 CB TRP A 6 10.464 -1.738 5.422 1.00 0.00 C ATOM 71 CG TRP A 6 10.493 -3.179 5.161 1.00 0.00 C ATOM 72 CD1 TRP A 6 10.235 -4.202 6.110 1.00 0.00 C ATOM 73 CD2 TRP A 6 10.775 -3.963 3.939 1.00 0.00 C ATOM 74 NE1 TRP A 6 10.350 -5.360 5.527 1.00 0.00 N ATOM 75 CE2 TRP A 6 10.681 -5.325 4.179 1.00 0.00 C ATOM 76 CE3 TRP A 6 11.105 -3.556 2.655 1.00 0.00 C ATOM 77 CZ2 TRP A 6 10.897 -6.241 3.207 1.00 0.00 C ATOM 78 CZ3 TRP A 6 11.323 -4.487 1.677 1.00 0.00 C ATOM 79 CH2 TRP A 6 11.227 -5.843 1.920 1.00 0.00 C ATOM 0 H TRP A 6 10.190 -1.558 8.227 1.00 0.00 H new ATOM 0 HA TRP A 6 12.418 -1.384 6.486 1.00 0.00 H new ATOM 0 HB2 TRP A 6 9.432 -1.447 5.615 1.00 0.00 H new ATOM 0 HB3 TRP A 6 10.777 -1.220 4.515 1.00 0.00 H new ATOM 0 HD1 TRP A 6 9.984 -4.045 7.149 1.00 0.00 H new ATOM 0 HE1 TRP A 6 10.206 -6.237 6.028 1.00 0.00 H new ATOM 0 HE3 TRP A 6 11.190 -2.504 2.427 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 10.812 -7.293 3.436 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 11.578 -4.151 0.683 1.00 0.00 H new ATOM 0 HH2 TRP A 6 11.402 -6.566 1.137 1.00 0.00 H new ATOM 90 N LYS A 7 11.688 1.068 5.965 1.00 0.00 N ATOM 91 CA LYS A 7 11.396 2.457 5.805 1.00 0.00 C ATOM 92 C LYS A 7 11.322 3.332 7.066 1.00 0.00 C ATOM 93 O LYS A 7 11.492 2.824 8.135 1.00 0.00 O ATOM 94 CB LYS A 7 9.945 2.561 5.205 1.00 0.00 C ATOM 95 CG LYS A 7 10.071 1.818 3.929 1.00 0.00 C ATOM 96 CD LYS A 7 8.698 1.547 3.239 1.00 0.00 C ATOM 97 CE LYS A 7 7.488 2.049 3.980 1.00 0.00 C ATOM 98 NZ LYS A 7 6.209 1.589 3.453 1.00 0.00 N ATOM 0 H LYS A 7 12.549 0.773 5.505 1.00 0.00 H new ATOM 0 HA LYS A 7 12.229 2.824 5.205 1.00 0.00 H new ATOM 0 HB2 LYS A 7 9.201 2.113 5.863 1.00 0.00 H new ATOM 0 HB3 LYS A 7 9.646 3.597 5.044 1.00 0.00 H new ATOM 0 HG2 LYS A 7 10.708 2.383 3.248 1.00 0.00 H new ATOM 0 HG3 LYS A 7 10.570 0.867 4.117 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.712 2.005 2.250 1.00 0.00 H new ATOM 0 HD3 LYS A 7 8.592 0.472 3.091 1.00 0.00 H new ATOM 0 HE2 LYS A 7 7.566 1.742 5.023 1.00 0.00 H new ATOM 0 HE3 LYS A 7 7.499 3.139 3.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 5.531 2.377 3.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 6.339 1.241 2.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 5.844 0.820 4.050 1.00 0.00 H new ATOM 112 N VAL A 8 11.028 4.553 6.626 1.00 0.00 N ATOM 113 CA VAL A 8 10.749 5.715 7.435 1.00 0.00 C ATOM 114 C VAL A 8 11.369 5.850 8.774 1.00 0.00 C ATOM 115 O VAL A 8 11.461 5.040 9.665 1.00 0.00 O ATOM 116 CB VAL A 8 9.189 5.608 7.524 1.00 0.00 C ATOM 117 CG1 VAL A 8 8.589 5.569 8.907 1.00 0.00 C ATOM 118 CG2 VAL A 8 8.497 6.807 6.888 1.00 0.00 C ATOM 0 H VAL A 8 10.978 4.760 5.629 1.00 0.00 H new ATOM 0 HA VAL A 8 11.186 6.604 6.980 1.00 0.00 H new ATOM 0 HB VAL A 8 9.024 4.658 7.017 1.00 0.00 H new ATOM 0 HG11 VAL A 8 7.504 5.494 8.831 1.00 0.00 H new ATOM 0 HG12 VAL A 8 8.975 4.704 9.447 1.00 0.00 H new ATOM 0 HG13 VAL A 8 8.853 6.480 9.444 1.00 0.00 H new ATOM 0 HG21 VAL A 8 7.417 6.691 6.973 1.00 0.00 H new ATOM 0 HG22 VAL A 8 8.805 7.719 7.400 1.00 0.00 H new ATOM 0 HG23 VAL A 8 8.774 6.871 5.836 1.00 0.00 H new ATOM 300 N LEU A 21 4.282 6.035 7.357 1.00 0.00 N ATOM 301 CA LEU A 21 4.313 4.726 6.716 1.00 0.00 C ATOM 302 C LEU A 21 5.482 4.007 7.437 1.00 0.00 C ATOM 303 O LEU A 21 5.973 4.589 8.379 1.00 0.00 O ATOM 304 CB LEU A 21 4.587 4.877 5.221 1.00 0.00 C ATOM 305 CG LEU A 21 3.743 5.932 4.535 1.00 0.00 C ATOM 306 CD1 LEU A 21 4.682 6.866 3.726 1.00 0.00 C ATOM 307 CD2 LEU A 21 2.726 5.340 3.546 1.00 0.00 C ATOM 0 HA LEU A 21 3.374 4.177 6.792 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.640 5.122 5.080 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.415 3.917 4.733 1.00 0.00 H new ATOM 0 HG LEU A 21 3.194 6.458 5.316 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.090 7.632 3.225 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.393 7.341 4.402 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.223 6.282 2.982 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.153 6.146 3.088 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.253 4.784 2.771 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.050 4.670 4.077 1.00 0.00 H new ATOM 319 N LYS A 22 5.734 2.843 6.864 1.00 0.00 N ATOM 320 CA LYS A 22 6.780 1.938 7.318 1.00 0.00 C ATOM 321 C LYS A 22 6.264 0.510 6.942 1.00 0.00 C ATOM 322 O LYS A 22 5.070 0.322 7.087 1.00 0.00 O ATOM 323 CB LYS A 22 6.898 1.793 8.839 1.00 0.00 C ATOM 324 CG LYS A 22 5.501 1.847 9.510 1.00 0.00 C ATOM 325 CD LYS A 22 5.362 2.591 10.801 1.00 0.00 C ATOM 326 CE LYS A 22 6.550 2.483 11.795 1.00 0.00 C ATOM 327 NZ LYS A 22 6.404 3.350 12.949 1.00 0.00 N ATOM 0 H LYS A 22 5.212 2.494 6.060 1.00 0.00 H new ATOM 0 HA LYS A 22 7.714 2.309 6.895 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.386 0.849 9.082 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.528 2.589 9.236 1.00 0.00 H new ATOM 0 HG2 LYS A 22 4.806 2.288 8.796 1.00 0.00 H new ATOM 0 HG3 LYS A 22 5.174 0.821 9.681 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.204 3.645 10.572 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.463 2.236 11.304 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.642 1.451 12.132 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.475 2.732 11.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.226 3.235 13.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 6.345 4.340 12.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 5.537 3.098 13.465 1.00 0.00 H new ATOM 341 N LEU A 23 7.253 -0.258 6.532 1.00 0.00 N ATOM 342 CA LEU A 23 6.903 -1.620 6.160 1.00 0.00 C ATOM 343 C LEU A 23 7.586 -2.414 7.318 1.00 0.00 C ATOM 344 O LEU A 23 8.374 -1.717 7.945 1.00 0.00 O ATOM 345 CB LEU A 23 7.221 -2.056 4.789 1.00 0.00 C ATOM 346 CG LEU A 23 6.049 -1.908 3.776 1.00 0.00 C ATOM 347 CD1 LEU A 23 6.711 -1.540 2.426 1.00 0.00 C ATOM 348 CD2 LEU A 23 5.259 -3.143 3.500 1.00 0.00 C ATOM 0 H LEU A 23 8.235 0.005 6.450 1.00 0.00 H new ATOM 0 HA LEU A 23 5.828 -1.779 6.080 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.073 -1.480 4.427 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.531 -3.101 4.816 1.00 0.00 H new ATOM 0 HG LEU A 23 5.359 -1.182 4.206 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.941 -1.420 1.664 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.263 -0.606 2.534 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.396 -2.334 2.128 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.471 -2.918 2.781 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.915 -3.911 3.091 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.812 -3.504 4.426 1.00 0.00 H new ATOM 360 N THR A 24 7.219 -3.674 7.446 1.00 0.00 N ATOM 361 CA THR A 24 7.681 -4.627 8.432 1.00 0.00 C ATOM 362 C THR A 24 6.871 -5.934 8.219 1.00 0.00 C ATOM 363 O THR A 24 5.684 -6.059 8.461 1.00 0.00 O ATOM 364 CB THR A 24 7.490 -4.192 9.885 1.00 0.00 C ATOM 365 OG1 THR A 24 7.792 -2.852 10.176 1.00 0.00 O ATOM 366 CG2 THR A 24 8.114 -5.130 10.934 1.00 0.00 C ATOM 0 H THR A 24 6.536 -4.089 6.812 1.00 0.00 H new ATOM 0 HA THR A 24 8.755 -4.740 8.285 1.00 0.00 H new ATOM 0 HB THR A 24 6.407 -4.280 9.975 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.302 -2.463 9.435 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.925 -4.736 11.933 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.670 -6.122 10.845 1.00 0.00 H new ATOM 0 HG23 THR A 24 9.189 -5.197 10.768 1.00 0.00 H new ATOM 374 N ILE A 25 7.671 -6.860 7.738 1.00 0.00 N ATOM 375 CA ILE A 25 7.147 -8.179 7.452 1.00 0.00 C ATOM 376 C ILE A 25 8.088 -9.230 8.017 1.00 0.00 C ATOM 377 O ILE A 25 9.279 -9.050 7.932 1.00 0.00 O ATOM 378 CB ILE A 25 7.015 -8.218 5.924 1.00 0.00 C ATOM 379 CG1 ILE A 25 6.204 -7.050 5.361 1.00 0.00 C ATOM 380 CG2 ILE A 25 6.474 -9.560 5.402 1.00 0.00 C ATOM 381 CD1 ILE A 25 7.020 -6.039 4.549 1.00 0.00 C ATOM 0 H ILE A 25 8.663 -6.731 7.540 1.00 0.00 H new ATOM 0 HA ILE A 25 6.181 -8.388 7.912 1.00 0.00 H new ATOM 0 HB ILE A 25 8.035 -8.111 5.554 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.410 -7.448 4.729 1.00 0.00 H new ATOM 0 HG13 ILE A 25 5.722 -6.528 6.187 1.00 0.00 H new ATOM 0 HG21 ILE A 25 6.403 -9.526 4.315 1.00 0.00 H new ATOM 0 HG22 ILE A 25 7.149 -10.364 5.697 1.00 0.00 H new ATOM 0 HG23 ILE A 25 5.486 -9.743 5.824 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.364 -5.246 4.190 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.797 -5.608 5.180 1.00 0.00 H new ATOM 0 HD13 ILE A 25 7.480 -6.542 3.699 1.00 0.00 H new ATOM 393 N THR A 26 7.520 -10.287 8.571 1.00 0.00 N ATOM 394 CA THR A 26 8.475 -11.244 9.084 1.00 0.00 C ATOM 395 C THR A 26 7.760 -12.606 9.208 1.00 0.00 C ATOM 396 O THR A 26 7.340 -12.944 10.295 1.00 0.00 O ATOM 397 CB THR A 26 9.026 -10.861 10.429 1.00 0.00 C ATOM 398 OG1 THR A 26 9.385 -9.520 10.565 1.00 0.00 O ATOM 399 CG2 THR A 26 10.310 -11.697 10.707 1.00 0.00 C ATOM 0 H THR A 26 6.526 -10.491 8.671 1.00 0.00 H new ATOM 0 HA THR A 26 9.318 -11.282 8.394 1.00 0.00 H new ATOM 0 HB THR A 26 8.215 -11.053 11.131 1.00 0.00 H new ATOM 0 HG1 THR A 26 9.756 -9.193 9.719 1.00 0.00 H new ATOM 0 HG21 THR A 26 10.717 -11.426 11.681 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.062 -12.758 10.700 1.00 0.00 H new ATOM 0 HG23 THR A 26 11.051 -11.493 9.934 1.00 0.00 H new ATOM 407 N GLN A 27 7.740 -13.192 7.996 1.00 0.00 N ATOM 408 CA GLN A 27 7.111 -14.479 7.950 1.00 0.00 C ATOM 409 C GLN A 27 7.641 -15.398 9.060 1.00 0.00 C ATOM 410 O GLN A 27 8.791 -15.183 9.431 1.00 0.00 O ATOM 411 CB GLN A 27 7.268 -15.185 6.587 1.00 0.00 C ATOM 412 CG GLN A 27 8.245 -14.555 5.624 1.00 0.00 C ATOM 413 CD GLN A 27 9.709 -14.718 6.032 1.00 0.00 C ATOM 414 OE1 GLN A 27 10.070 -15.569 6.817 1.00 0.00 O ATOM 415 NE2 GLN A 27 10.449 -13.808 5.406 1.00 0.00 N ATOM 0 H GLN A 27 8.119 -12.822 7.124 1.00 0.00 H new ATOM 0 HA GLN A 27 6.049 -14.289 8.104 1.00 0.00 H new ATOM 0 HB2 GLN A 27 7.578 -16.214 6.767 1.00 0.00 H new ATOM 0 HB3 GLN A 27 6.290 -15.226 6.107 1.00 0.00 H new ATOM 0 HG2 GLN A 27 8.102 -14.995 4.637 1.00 0.00 H new ATOM 0 HG3 GLN A 27 8.019 -13.492 5.535 1.00 0.00 H new ATOM 0 HE21 GLN A 27 10.010 -13.146 4.766 1.00 0.00 H new ATOM 0 HE22 GLN A 27 11.456 -13.771 5.566 1.00 0.00 H new ATOM 424 N GLU A 28 6.753 -16.327 9.481 1.00 0.00 N ATOM 425 CA GLU A 28 7.211 -17.224 10.546 1.00 0.00 C ATOM 426 C GLU A 28 6.455 -18.542 10.372 1.00 0.00 C ATOM 427 O GLU A 28 5.811 -18.936 11.357 1.00 0.00 O ATOM 428 CB GLU A 28 6.991 -16.511 11.874 1.00 0.00 C ATOM 429 CG GLU A 28 5.562 -16.059 12.191 1.00 0.00 C ATOM 430 CD GLU A 28 5.429 -15.755 13.672 1.00 0.00 C ATOM 431 OE1 GLU A 28 6.169 -14.924 14.214 1.00 0.00 O ATOM 432 OE2 GLU A 28 4.550 -16.403 14.247 1.00 0.00 O ATOM 0 H GLU A 28 5.804 -16.465 9.135 1.00 0.00 H new ATOM 0 HA GLU A 28 8.273 -17.468 10.511 1.00 0.00 H new ATOM 0 HB2 GLU A 28 7.322 -17.174 12.674 1.00 0.00 H new ATOM 0 HB3 GLU A 28 7.637 -15.634 11.899 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.314 -15.173 11.606 1.00 0.00 H new ATOM 0 HG3 GLU A 28 4.854 -16.837 11.906 1.00 0.00 H new ATOM 439 N GLY A 29 6.587 -19.118 9.158 1.00 0.00 N ATOM 440 CA GLY A 29 5.832 -20.365 9.090 1.00 0.00 C ATOM 441 C GLY A 29 4.399 -19.851 8.818 1.00 0.00 C ATOM 442 O GLY A 29 3.674 -19.664 9.760 1.00 0.00 O ATOM 0 H GLY A 29 7.115 -18.804 8.344 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.191 -21.017 8.294 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.894 -20.932 10.019 1.00 0.00 H new ATOM 446 N ASN A 30 4.234 -19.715 7.501 1.00 0.00 N ATOM 447 CA ASN A 30 3.041 -19.263 6.854 1.00 0.00 C ATOM 448 C ASN A 30 2.351 -18.209 7.748 1.00 0.00 C ATOM 449 O ASN A 30 1.182 -18.482 8.009 1.00 0.00 O ATOM 450 CB ASN A 30 1.980 -20.322 6.564 1.00 0.00 C ATOM 451 CG ASN A 30 1.642 -21.287 7.679 1.00 0.00 C ATOM 452 OD1 ASN A 30 0.710 -21.107 8.469 1.00 0.00 O ATOM 453 ND2 ASN A 30 2.440 -22.369 7.753 1.00 0.00 N ATOM 0 H ASN A 30 4.979 -19.933 6.839 1.00 0.00 H new ATOM 0 HA ASN A 30 3.393 -18.889 5.892 1.00 0.00 H new ATOM 0 HB2 ASN A 30 1.063 -19.810 6.271 1.00 0.00 H new ATOM 0 HB3 ASN A 30 2.310 -20.903 5.703 1.00 0.00 H new ATOM 0 HD21 ASN A 30 2.283 -23.070 8.477 1.00 0.00 H new ATOM 0 HD22 ASN A 30 3.201 -22.488 7.085 1.00 0.00 H new ATOM 460 N LYS A 31 3.098 -17.193 8.090 1.00 0.00 N ATOM 461 CA LYS A 31 2.336 -16.251 8.933 1.00 0.00 C ATOM 462 C LYS A 31 3.149 -14.984 8.561 1.00 0.00 C ATOM 463 O LYS A 31 4.103 -14.782 9.337 1.00 0.00 O ATOM 464 CB LYS A 31 2.308 -16.641 10.369 1.00 0.00 C ATOM 465 CG LYS A 31 1.914 -15.409 11.214 1.00 0.00 C ATOM 466 CD LYS A 31 0.592 -14.765 10.795 1.00 0.00 C ATOM 467 CE LYS A 31 -0.575 -15.692 11.114 1.00 0.00 C ATOM 468 NZ LYS A 31 -1.265 -15.396 12.398 1.00 0.00 N ATOM 0 H LYS A 31 4.071 -16.992 7.859 1.00 0.00 H new ATOM 0 HA LYS A 31 1.262 -16.164 8.771 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.594 -17.450 10.526 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.285 -17.013 10.678 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.846 -15.706 12.261 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.707 -14.665 11.144 1.00 0.00 H new ATOM 0 HD2 LYS A 31 0.462 -13.815 11.314 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.609 -14.546 9.727 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.302 -15.633 10.304 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.210 -16.719 11.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.044 -16.071 12.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -0.588 -15.481 13.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.646 -14.429 12.372 1.00 0.00 H new ATOM 482 N PHE A 32 2.759 -14.280 7.504 1.00 0.00 N ATOM 483 CA PHE A 32 3.578 -13.106 7.221 1.00 0.00 C ATOM 484 C PHE A 32 2.480 -12.016 7.302 1.00 0.00 C ATOM 485 O PHE A 32 1.462 -12.218 6.682 1.00 0.00 O ATOM 486 CB PHE A 32 4.385 -13.143 5.956 1.00 0.00 C ATOM 487 CG PHE A 32 3.493 -12.946 4.755 1.00 0.00 C ATOM 488 CD1 PHE A 32 3.064 -11.734 4.265 1.00 0.00 C ATOM 489 CD2 PHE A 32 3.032 -14.050 4.040 1.00 0.00 C ATOM 490 CE1 PHE A 32 2.231 -11.653 3.136 1.00 0.00 C ATOM 491 CE2 PHE A 32 2.217 -13.897 2.943 1.00 0.00 C ATOM 492 CZ PHE A 32 1.849 -12.827 2.522 1.00 0.00 C ATOM 0 H PHE A 32 1.969 -14.469 6.887 1.00 0.00 H new ATOM 0 HA PHE A 32 4.416 -12.962 7.903 1.00 0.00 H new ATOM 0 HB2 PHE A 32 5.148 -12.365 5.981 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.905 -14.097 5.877 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.374 -10.825 4.759 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.320 -15.043 4.353 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.899 -10.697 2.759 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.887 -14.787 2.428 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.211 -12.789 1.651 1.00 0.00 H new ATOM 502 N THR A 33 2.963 -11.066 8.084 1.00 0.00 N ATOM 503 CA THR A 33 1.999 -9.957 8.240 1.00 0.00 C ATOM 504 C THR A 33 2.759 -8.887 7.487 1.00 0.00 C ATOM 505 O THR A 33 3.994 -9.011 7.389 1.00 0.00 O ATOM 506 CB THR A 33 1.721 -9.803 9.700 1.00 0.00 C ATOM 507 OG1 THR A 33 0.325 -9.763 9.914 1.00 0.00 O ATOM 508 CG2 THR A 33 2.234 -8.486 10.209 1.00 0.00 C ATOM 0 H THR A 33 3.864 -11.016 8.559 1.00 0.00 H new ATOM 0 HA THR A 33 0.984 -10.020 7.848 1.00 0.00 H new ATOM 0 HB THR A 33 2.201 -10.639 10.208 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.144 -9.664 10.872 1.00 0.00 H new ATOM 0 HG21 THR A 33 2.019 -8.399 11.274 1.00 0.00 H new ATOM 0 HG22 THR A 33 3.311 -8.429 10.050 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.745 -7.673 9.672 1.00 0.00 H new ATOM 516 N VAL A 34 2.023 -7.911 7.002 1.00 0.00 N ATOM 517 CA VAL A 34 2.745 -6.869 6.274 1.00 0.00 C ATOM 518 C VAL A 34 2.300 -5.578 6.924 1.00 0.00 C ATOM 519 O VAL A 34 1.194 -5.319 7.347 1.00 0.00 O ATOM 520 CB VAL A 34 2.259 -7.068 4.856 1.00 0.00 C ATOM 521 CG1 VAL A 34 2.303 -5.861 3.935 1.00 0.00 C ATOM 522 CG2 VAL A 34 3.045 -8.150 4.064 1.00 0.00 C ATOM 0 H VAL A 34 1.011 -7.808 7.081 1.00 0.00 H new ATOM 0 HA VAL A 34 3.835 -6.878 6.284 1.00 0.00 H new ATOM 0 HB VAL A 34 1.227 -7.345 5.071 1.00 0.00 H new ATOM 0 HG11 VAL A 34 1.928 -6.141 2.951 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.682 -5.066 4.348 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.331 -5.509 3.845 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.636 -8.233 3.057 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.096 -7.867 4.007 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.955 -9.110 4.572 1.00 0.00 H new ATOM 532 N LYS A 35 3.387 -4.776 6.943 1.00 0.00 N ATOM 533 CA LYS A 35 3.273 -3.472 7.497 1.00 0.00 C ATOM 534 C LYS A 35 2.952 -2.399 6.485 1.00 0.00 C ATOM 535 O LYS A 35 3.604 -1.560 5.930 1.00 0.00 O ATOM 536 CB LYS A 35 4.464 -3.133 8.443 1.00 0.00 C ATOM 537 CG LYS A 35 4.226 -1.919 9.380 1.00 0.00 C ATOM 538 CD LYS A 35 5.033 -1.939 10.660 1.00 0.00 C ATOM 539 CE LYS A 35 4.114 -1.714 11.896 1.00 0.00 C ATOM 540 NZ LYS A 35 4.183 -0.338 12.389 1.00 0.00 N ATOM 0 H LYS A 35 4.310 -5.025 6.587 1.00 0.00 H new ATOM 0 HA LYS A 35 2.387 -3.487 8.132 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.685 -4.008 9.054 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.348 -2.938 7.836 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.459 -1.005 8.834 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.167 -1.877 9.635 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.550 -2.894 10.754 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.799 -1.164 10.625 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.084 -1.952 11.630 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.404 -2.399 12.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.402 -0.344 13.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.928 0.177 11.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 3.268 0.132 12.235 1.00 0.00 H new ATOM 554 N GLU A 36 1.612 -2.480 6.190 1.00 0.00 N ATOM 555 CA GLU A 36 0.996 -1.600 5.262 1.00 0.00 C ATOM 556 C GLU A 36 0.572 -0.317 6.034 1.00 0.00 C ATOM 557 O GLU A 36 -0.620 0.014 6.121 1.00 0.00 O ATOM 558 CB GLU A 36 -0.310 -2.244 4.775 1.00 0.00 C ATOM 559 CG GLU A 36 -1.008 -1.393 3.705 1.00 0.00 C ATOM 560 CD GLU A 36 -1.595 -2.365 2.692 1.00 0.00 C ATOM 561 OE1 GLU A 36 -2.712 -2.843 2.854 1.00 0.00 O ATOM 562 OE2 GLU A 36 -0.879 -2.620 1.724 1.00 0.00 O ATOM 0 H GLU A 36 0.978 -3.162 6.607 1.00 0.00 H new ATOM 0 HA GLU A 36 1.678 -1.387 4.438 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -0.097 -3.233 4.369 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.982 -2.385 5.621 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.790 -0.777 4.149 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.301 -0.715 3.227 1.00 0.00 H new ATOM 569 N SER A 37 1.566 0.372 6.580 1.00 0.00 N ATOM 570 CA SER A 37 1.104 1.577 7.299 1.00 0.00 C ATOM 571 C SER A 37 0.696 2.642 6.297 1.00 0.00 C ATOM 572 O SER A 37 1.585 3.030 5.539 1.00 0.00 O ATOM 573 CB SER A 37 2.204 1.987 8.266 1.00 0.00 C ATOM 574 OG SER A 37 1.606 2.224 9.540 1.00 0.00 O ATOM 0 H SER A 37 2.566 0.170 6.558 1.00 0.00 H new ATOM 0 HA SER A 37 0.209 1.396 7.895 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.958 1.204 8.339 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.710 2.884 7.910 1.00 0.00 H new ATOM 0 HG SER A 37 2.298 2.489 10.182 1.00 0.00 H new ATOM 580 N SER A 38 -0.584 3.079 6.314 1.00 0.00 N ATOM 581 CA SER A 38 -0.889 4.101 5.320 1.00 0.00 C ATOM 582 C SER A 38 -1.755 5.230 5.831 1.00 0.00 C ATOM 583 O SER A 38 -1.590 5.655 6.977 1.00 0.00 O ATOM 584 CB SER A 38 -1.533 3.301 4.169 1.00 0.00 C ATOM 585 OG SER A 38 -1.137 1.941 4.211 1.00 0.00 O ATOM 0 H SER A 38 -1.337 2.777 6.932 1.00 0.00 H new ATOM 0 HA SER A 38 0.004 4.642 5.007 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.619 3.369 4.237 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.245 3.738 3.213 1.00 0.00 H new ATOM 0 HG SER A 38 -1.559 1.454 3.473 1.00 0.00 H new ATOM 591 N ASN A 39 -2.682 5.711 4.967 1.00 0.00 N ATOM 592 CA ASN A 39 -3.587 6.787 5.319 1.00 0.00 C ATOM 593 C ASN A 39 -4.943 6.237 5.789 1.00 0.00 C ATOM 594 O ASN A 39 -5.978 6.802 5.479 1.00 0.00 O ATOM 595 CB ASN A 39 -3.821 7.612 4.064 1.00 0.00 C ATOM 596 CG ASN A 39 -4.053 9.071 4.459 1.00 0.00 C ATOM 597 OD1 ASN A 39 -5.097 9.541 4.872 1.00 0.00 O ATOM 598 ND2 ASN A 39 -2.936 9.805 4.293 1.00 0.00 N ATOM 0 H ASN A 39 -2.808 5.355 4.019 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.151 7.377 6.126 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -2.962 7.535 3.398 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.683 7.229 3.518 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -2.942 10.800 4.517 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -2.084 9.366 3.944 1.00 0.00 H new ATOM 605 N PHE A 40 -4.753 5.138 6.524 1.00 0.00 N ATOM 606 CA PHE A 40 -5.907 4.461 7.063 1.00 0.00 C ATOM 607 C PHE A 40 -5.398 3.752 8.355 1.00 0.00 C ATOM 608 O PHE A 40 -5.589 2.570 8.440 1.00 0.00 O ATOM 609 CB PHE A 40 -6.463 3.402 6.108 1.00 0.00 C ATOM 610 CG PHE A 40 -7.296 3.935 4.987 1.00 0.00 C ATOM 611 CD1 PHE A 40 -8.395 4.727 5.283 1.00 0.00 C ATOM 612 CD2 PHE A 40 -7.029 3.682 3.672 1.00 0.00 C ATOM 613 CE1 PHE A 40 -9.165 5.221 4.236 1.00 0.00 C ATOM 614 CE2 PHE A 40 -7.855 4.215 2.721 1.00 0.00 C ATOM 615 CZ PHE A 40 -8.809 4.901 2.962 1.00 0.00 C ATOM 0 H PHE A 40 -3.849 4.722 6.746 1.00 0.00 H new ATOM 0 HA PHE A 40 -6.711 5.175 7.241 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -5.629 2.842 5.686 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -7.063 2.696 6.682 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -8.648 4.956 6.308 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -6.183 3.073 3.389 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -10.026 5.844 4.429 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -7.634 4.004 1.685 1.00 0.00 H new ATOM 0 HZ PHE A 40 -9.404 5.276 2.143 1.00 0.00 H new ATOM 625 N ARG A 41 -4.809 4.635 9.177 1.00 0.00 N ATOM 626 CA ARG A 41 -4.242 4.209 10.443 1.00 0.00 C ATOM 627 C ARG A 41 -3.025 3.339 10.216 1.00 0.00 C ATOM 628 O ARG A 41 -2.516 3.424 9.082 1.00 0.00 O ATOM 629 CB ARG A 41 -5.268 3.340 11.180 1.00 0.00 C ATOM 630 CG ARG A 41 -6.678 3.917 11.129 1.00 0.00 C ATOM 631 CD ARG A 41 -7.692 3.134 10.273 1.00 0.00 C ATOM 632 NE ARG A 41 -8.985 3.479 10.870 1.00 0.00 N ATOM 633 CZ ARG A 41 -9.514 4.705 10.728 1.00 0.00 C ATOM 634 NH1 ARG A 41 -8.958 5.698 10.058 1.00 0.00 N ATOM 635 NH2 ARG A 41 -10.689 4.933 11.305 1.00 0.00 N ATOM 0 H ARG A 41 -4.719 5.632 8.982 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.974 5.099 11.012 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.273 2.342 10.742 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.963 3.230 12.221 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -7.062 3.979 12.147 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.620 4.936 10.748 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -7.643 3.428 9.225 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -7.506 2.061 10.312 1.00 0.00 H new ATOM 0 HE ARG A 41 -9.493 2.774 11.404 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -8.057 5.562 9.599 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -9.429 6.601 10.000 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -11.152 4.191 11.830 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -11.128 5.850 11.223 1.00 0.00 H new ATOM 649 N ASN A 42 -2.564 2.549 11.194 1.00 0.00 N ATOM 650 CA ASN A 42 -1.384 1.790 10.766 1.00 0.00 C ATOM 651 C ASN A 42 -1.992 0.725 9.821 1.00 0.00 C ATOM 652 O ASN A 42 -1.828 0.696 8.617 1.00 0.00 O ATOM 653 CB ASN A 42 -0.590 1.200 11.913 1.00 0.00 C ATOM 654 CG ASN A 42 -0.023 2.259 12.876 1.00 0.00 C ATOM 655 OD1 ASN A 42 -0.679 3.020 13.557 1.00 0.00 O ATOM 656 ND2 ASN A 42 1.327 2.247 12.879 1.00 0.00 N ATOM 0 H ASN A 42 -2.919 2.424 12.142 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.635 2.413 10.278 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.228 0.516 12.473 1.00 0.00 H new ATOM 0 HB3 ASN A 42 0.233 0.610 11.509 1.00 0.00 H new ATOM 0 HD21 ASN A 42 1.841 2.898 13.472 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.832 1.587 12.288 1.00 0.00 H new ATOM 663 N ILE A 43 -2.708 -0.119 10.573 1.00 0.00 N ATOM 664 CA ILE A 43 -3.393 -1.228 9.901 1.00 0.00 C ATOM 665 C ILE A 43 -2.341 -2.161 9.365 1.00 0.00 C ATOM 666 O ILE A 43 -1.302 -1.947 8.756 1.00 0.00 O ATOM 667 CB ILE A 43 -4.305 -0.547 8.876 1.00 0.00 C ATOM 668 CG1 ILE A 43 -5.792 -0.890 8.984 1.00 0.00 C ATOM 669 CG2 ILE A 43 -3.939 -0.984 7.440 1.00 0.00 C ATOM 670 CD1 ILE A 43 -6.323 -1.111 10.410 1.00 0.00 C ATOM 0 H ILE A 43 -2.825 -0.065 11.585 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.020 -1.866 10.524 1.00 0.00 H new ATOM 0 HB ILE A 43 -4.150 0.511 9.087 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.366 -0.086 8.523 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.981 -1.792 8.402 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.600 -0.488 6.729 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.906 -0.709 7.228 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.053 -2.064 7.348 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -7.386 -1.348 10.370 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.785 -1.937 10.875 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.175 -0.205 10.998 1.00 0.00 H new ATOM 682 N ASP A 44 -2.675 -3.453 9.647 1.00 0.00 N ATOM 683 CA ASP A 44 -1.852 -4.575 9.256 1.00 0.00 C ATOM 684 C ASP A 44 -2.704 -5.553 8.453 1.00 0.00 C ATOM 685 O ASP A 44 -3.920 -5.389 8.526 1.00 0.00 O ATOM 686 CB ASP A 44 -1.301 -5.373 10.452 1.00 0.00 C ATOM 687 CG ASP A 44 -2.249 -5.509 11.632 1.00 0.00 C ATOM 688 OD1 ASP A 44 -3.202 -4.745 11.812 1.00 0.00 O ATOM 689 OD2 ASP A 44 -2.065 -6.432 12.459 1.00 0.00 O ATOM 0 H ASP A 44 -3.522 -3.717 10.150 1.00 0.00 H new ATOM 0 HA ASP A 44 -1.017 -4.160 8.691 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -1.029 -6.371 10.108 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -0.384 -4.894 10.796 1.00 0.00 H new ATOM 694 N VAL A 45 -1.965 -6.432 7.803 1.00 0.00 N ATOM 695 CA VAL A 45 -2.743 -7.393 7.020 1.00 0.00 C ATOM 696 C VAL A 45 -2.186 -8.733 7.530 1.00 0.00 C ATOM 697 O VAL A 45 -1.122 -9.087 7.080 1.00 0.00 O ATOM 698 CB VAL A 45 -2.631 -7.249 5.540 1.00 0.00 C ATOM 699 CG1 VAL A 45 -3.938 -7.632 4.785 1.00 0.00 C ATOM 700 CG2 VAL A 45 -2.465 -5.788 5.076 1.00 0.00 C ATOM 0 H VAL A 45 -0.948 -6.510 7.789 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.816 -7.262 7.159 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.777 -7.890 5.321 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.789 -7.505 3.713 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.189 -8.672 4.996 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.752 -6.988 5.117 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.390 -5.758 3.989 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.328 -5.204 5.396 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.560 -5.368 5.514 1.00 0.00 H new ATOM 710 N VAL A 46 -2.977 -9.353 8.432 1.00 0.00 N ATOM 711 CA VAL A 46 -2.449 -10.624 8.916 1.00 0.00 C ATOM 712 C VAL A 46 -3.254 -11.808 8.449 1.00 0.00 C ATOM 713 O VAL A 46 -4.441 -11.622 8.165 1.00 0.00 O ATOM 714 CB VAL A 46 -2.559 -10.536 10.460 1.00 0.00 C ATOM 715 CG1 VAL A 46 -3.962 -10.702 11.054 1.00 0.00 C ATOM 716 CG2 VAL A 46 -1.774 -11.654 11.158 1.00 0.00 C ATOM 0 H VAL A 46 -3.875 -9.037 8.798 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.435 -10.773 8.545 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.184 -9.527 10.633 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -3.909 -10.621 12.140 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.617 -9.923 10.663 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.359 -11.680 10.782 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.879 -11.553 12.238 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.164 -12.623 10.844 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.720 -11.582 10.888 1.00 0.00 H new ATOM 726 N PHE A 47 -2.487 -12.906 8.428 1.00 0.00 N ATOM 727 CA PHE A 47 -3.135 -14.106 7.991 1.00 0.00 C ATOM 728 C PHE A 47 -2.121 -15.222 7.786 1.00 0.00 C ATOM 729 O PHE A 47 -0.974 -14.948 8.167 1.00 0.00 O ATOM 730 CB PHE A 47 -3.687 -13.881 6.558 1.00 0.00 C ATOM 731 CG PHE A 47 -2.673 -13.007 5.814 1.00 0.00 C ATOM 732 CD1 PHE A 47 -1.569 -13.693 5.308 1.00 0.00 C ATOM 733 CD2 PHE A 47 -2.757 -11.655 5.619 1.00 0.00 C ATOM 734 CE1 PHE A 47 -0.613 -12.972 4.636 1.00 0.00 C ATOM 735 CE2 PHE A 47 -1.740 -11.016 4.927 1.00 0.00 C ATOM 736 CZ PHE A 47 -0.780 -11.623 4.491 1.00 0.00 C ATOM 0 H PHE A 47 -1.503 -12.974 8.688 1.00 0.00 H new ATOM 0 HA PHE A 47 -3.891 -14.353 8.737 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -3.824 -14.833 6.045 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -4.662 -13.394 6.593 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -1.469 -14.760 5.441 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -3.600 -11.096 5.997 1.00 0.00 H new ATOM 0 HE1 PHE A 47 0.258 -13.463 4.228 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.802 -9.949 4.770 1.00 0.00 H new ATOM 0 HZ PHE A 47 -0.020 -11.067 3.962 1.00 0.00 H new ATOM 746 N GLU A 48 -2.509 -16.381 7.235 1.00 0.00 N ATOM 747 CA GLU A 48 -1.489 -17.367 7.088 1.00 0.00 C ATOM 748 C GLU A 48 -1.148 -17.737 5.614 1.00 0.00 C ATOM 749 O GLU A 48 -1.626 -18.726 5.107 1.00 0.00 O ATOM 750 CB GLU A 48 -2.028 -18.644 7.788 1.00 0.00 C ATOM 751 CG GLU A 48 -1.833 -18.590 9.273 1.00 0.00 C ATOM 752 CD GLU A 48 -2.932 -19.324 10.038 1.00 0.00 C ATOM 753 OE1 GLU A 48 -3.528 -20.236 9.436 1.00 0.00 O ATOM 754 OE2 GLU A 48 -3.247 -19.074 11.190 1.00 0.00 O ATOM 0 H GLU A 48 -3.446 -16.626 6.915 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.570 -16.965 7.516 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.089 -18.760 7.565 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.520 -19.521 7.386 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.867 -19.027 9.525 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.805 -17.549 9.594 1.00 0.00 H new ATOM 761 N LEU A 49 -0.325 -16.838 5.097 1.00 0.00 N ATOM 762 CA LEU A 49 0.190 -16.887 3.735 1.00 0.00 C ATOM 763 C LEU A 49 -0.947 -17.124 2.757 1.00 0.00 C ATOM 764 O LEU A 49 -1.842 -16.304 2.609 1.00 0.00 O ATOM 765 CB LEU A 49 1.340 -17.884 3.665 1.00 0.00 C ATOM 766 CG LEU A 49 2.256 -17.605 2.479 1.00 0.00 C ATOM 767 CD1 LEU A 49 3.324 -18.693 2.184 1.00 0.00 C ATOM 768 CD2 LEU A 49 1.602 -17.484 1.096 1.00 0.00 C ATOM 0 H LEU A 49 0.013 -16.033 5.625 1.00 0.00 H new ATOM 0 HA LEU A 49 0.618 -15.931 3.434 1.00 0.00 H new ATOM 0 HB2 LEU A 49 1.917 -17.840 4.589 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.941 -18.895 3.587 1.00 0.00 H new ATOM 0 HG LEU A 49 2.655 -16.660 2.847 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.920 -18.394 1.322 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.974 -18.810 3.051 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.829 -19.641 1.972 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.369 -17.285 0.347 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.090 -18.415 0.853 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.882 -16.665 1.104 1.00 0.00 H new ATOM 780 N GLY A 50 -0.891 -18.258 2.093 1.00 0.00 N ATOM 781 CA GLY A 50 -1.905 -18.641 1.086 1.00 0.00 C ATOM 782 C GLY A 50 -3.159 -18.971 1.904 1.00 0.00 C ATOM 783 O GLY A 50 -3.412 -20.151 2.034 1.00 0.00 O ATOM 0 H GLY A 50 -0.153 -18.950 2.222 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.092 -17.829 0.384 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.577 -19.500 0.500 1.00 0.00 H new ATOM 787 N VAL A 51 -3.773 -17.892 2.339 1.00 0.00 N ATOM 788 CA VAL A 51 -4.975 -17.822 3.121 1.00 0.00 C ATOM 789 C VAL A 51 -5.975 -16.852 2.501 1.00 0.00 C ATOM 790 O VAL A 51 -5.905 -15.662 2.702 1.00 0.00 O ATOM 791 CB VAL A 51 -4.785 -17.581 4.621 1.00 0.00 C ATOM 792 CG1 VAL A 51 -5.903 -16.848 5.341 1.00 0.00 C ATOM 793 CG2 VAL A 51 -4.785 -18.920 5.377 1.00 0.00 C ATOM 0 H VAL A 51 -3.406 -16.963 2.133 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.388 -18.830 3.083 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.864 -16.997 4.636 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.648 -16.741 6.395 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.036 -15.861 4.898 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.829 -17.415 5.248 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.649 -18.736 6.443 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.735 -19.429 5.215 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.971 -19.545 5.010 1.00 0.00 H new ATOM 803 N ASP A 52 -6.878 -17.518 1.755 1.00 0.00 N ATOM 804 CA ASP A 52 -7.892 -16.679 1.100 1.00 0.00 C ATOM 805 C ASP A 52 -8.930 -16.161 2.131 1.00 0.00 C ATOM 806 O ASP A 52 -9.056 -16.790 3.151 1.00 0.00 O ATOM 807 CB ASP A 52 -8.488 -17.409 -0.093 1.00 0.00 C ATOM 808 CG ASP A 52 -9.318 -18.606 0.427 1.00 0.00 C ATOM 809 OD1 ASP A 52 -8.771 -19.578 0.948 1.00 0.00 O ATOM 810 OD2 ASP A 52 -10.542 -18.502 0.269 1.00 0.00 O ATOM 0 H ASP A 52 -6.930 -18.525 1.601 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.427 -15.781 0.693 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -9.118 -16.735 -0.673 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.697 -17.757 -0.758 1.00 0.00 H new ATOM 815 N PHE A 53 -9.561 -15.025 1.688 1.00 0.00 N ATOM 816 CA PHE A 53 -10.540 -14.494 2.590 1.00 0.00 C ATOM 817 C PHE A 53 -11.112 -13.136 2.190 1.00 0.00 C ATOM 818 O PHE A 53 -10.462 -12.462 1.410 1.00 0.00 O ATOM 819 CB PHE A 53 -10.013 -14.277 4.019 1.00 0.00 C ATOM 820 CG PHE A 53 -8.747 -13.433 3.974 1.00 0.00 C ATOM 821 CD1 PHE A 53 -8.866 -12.095 3.695 1.00 0.00 C ATOM 822 CD2 PHE A 53 -7.481 -13.894 4.184 1.00 0.00 C ATOM 823 CE1 PHE A 53 -7.740 -11.300 3.644 1.00 0.00 C ATOM 824 CE2 PHE A 53 -6.420 -13.028 4.112 1.00 0.00 C ATOM 825 CZ PHE A 53 -6.596 -11.683 3.828 1.00 0.00 C ATOM 0 H PHE A 53 -9.410 -14.533 0.808 1.00 0.00 H new ATOM 0 HA PHE A 53 -11.305 -15.269 2.546 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -10.771 -13.781 4.626 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.805 -15.238 4.491 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -9.840 -11.665 3.516 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -7.314 -14.938 4.406 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -7.882 -10.252 3.423 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -5.422 -13.404 4.281 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.758 -11.004 3.772 1.00 0.00 H new ATOM 835 N ALA A 54 -12.271 -12.819 2.743 1.00 0.00 N ATOM 836 CA ALA A 54 -12.926 -11.539 2.443 1.00 0.00 C ATOM 837 C ALA A 54 -12.654 -10.750 3.756 1.00 0.00 C ATOM 838 O ALA A 54 -13.439 -10.970 4.655 1.00 0.00 O ATOM 839 CB ALA A 54 -14.403 -11.633 2.194 1.00 0.00 C ATOM 0 H ALA A 54 -12.779 -13.416 3.395 1.00 0.00 H new ATOM 0 HA ALA A 54 -12.547 -11.094 1.523 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -14.800 -10.640 1.981 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -14.587 -12.288 1.342 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -14.896 -12.039 3.077 1.00 0.00 H new ATOM 845 N TYR A 55 -11.605 -9.929 3.737 1.00 0.00 N ATOM 846 CA TYR A 55 -11.345 -9.188 4.967 1.00 0.00 C ATOM 847 C TYR A 55 -11.355 -7.668 4.810 1.00 0.00 C ATOM 848 O TYR A 55 -10.704 -7.098 3.966 1.00 0.00 O ATOM 849 CB TYR A 55 -10.068 -9.712 5.651 1.00 0.00 C ATOM 850 CG TYR A 55 -10.121 -9.720 7.171 1.00 0.00 C ATOM 851 CD1 TYR A 55 -11.244 -9.816 7.948 1.00 0.00 C ATOM 852 CD2 TYR A 55 -8.909 -9.617 7.872 1.00 0.00 C ATOM 853 CE1 TYR A 55 -11.177 -9.812 9.321 1.00 0.00 C ATOM 854 CE2 TYR A 55 -8.989 -9.627 9.253 1.00 0.00 C ATOM 855 CZ TYR A 55 -10.168 -9.725 9.960 1.00 0.00 C ATOM 856 OH TYR A 55 -10.188 -9.725 11.342 1.00 0.00 O ATOM 0 H TYR A 55 -10.970 -9.767 2.955 1.00 0.00 H new ATOM 0 HA TYR A 55 -12.191 -9.381 5.626 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -9.875 -10.726 5.302 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -9.224 -9.100 5.333 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -12.209 -9.897 7.469 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -7.962 -9.534 7.359 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -12.106 -9.894 9.865 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -8.069 -9.553 9.813 1.00 0.00 H new ATOM 0 HH TYR A 55 -9.272 -9.648 11.682 1.00 0.00 H new ATOM 866 N SER A 56 -12.166 -7.091 5.712 1.00 0.00 N ATOM 867 CA SER A 56 -12.202 -5.631 5.590 1.00 0.00 C ATOM 868 C SER A 56 -10.822 -5.088 6.025 1.00 0.00 C ATOM 869 O SER A 56 -10.100 -5.911 6.578 1.00 0.00 O ATOM 870 CB SER A 56 -13.345 -5.134 6.471 1.00 0.00 C ATOM 871 OG SER A 56 -12.954 -4.176 7.407 1.00 0.00 O ATOM 0 H SER A 56 -12.731 -7.536 6.436 1.00 0.00 H new ATOM 0 HA SER A 56 -12.384 -5.286 4.572 1.00 0.00 H new ATOM 0 HB2 SER A 56 -14.125 -4.713 5.836 1.00 0.00 H new ATOM 0 HB3 SER A 56 -13.784 -5.983 6.995 1.00 0.00 H new ATOM 0 HG SER A 56 -13.731 -3.899 7.936 1.00 0.00 H new ATOM 877 N LEU A 57 -10.629 -3.812 5.735 1.00 0.00 N ATOM 878 CA LEU A 57 -9.346 -3.200 6.107 1.00 0.00 C ATOM 879 C LEU A 57 -9.498 -1.786 6.613 1.00 0.00 C ATOM 880 O LEU A 57 -8.842 -1.429 7.588 1.00 0.00 O ATOM 881 CB LEU A 57 -8.385 -3.283 4.917 1.00 0.00 C ATOM 882 CG LEU A 57 -7.055 -3.974 5.273 1.00 0.00 C ATOM 883 CD1 LEU A 57 -6.216 -4.201 4.017 1.00 0.00 C ATOM 884 CD2 LEU A 57 -6.143 -3.161 6.157 1.00 0.00 C ATOM 0 H LEU A 57 -11.298 -3.200 5.269 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.929 -3.761 6.943 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.866 -3.827 4.104 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -8.180 -2.277 4.550 1.00 0.00 H new ATOM 0 HG LEU A 57 -7.371 -4.885 5.781 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.280 -4.690 4.288 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.767 -4.833 3.321 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.001 -3.242 3.545 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.232 -3.725 6.356 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.890 -2.226 5.657 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.648 -2.943 7.098 1.00 0.00 H new ATOM 896 N ALA A 58 -10.352 -1.019 5.946 1.00 0.00 N ATOM 897 CA ALA A 58 -10.563 0.358 6.370 1.00 0.00 C ATOM 898 C ALA A 58 -12.004 0.706 6.678 1.00 0.00 C ATOM 899 O ALA A 58 -12.443 1.779 6.217 1.00 0.00 O ATOM 900 CB ALA A 58 -10.085 1.280 5.248 1.00 0.00 C ATOM 0 H ALA A 58 -10.894 -1.315 5.134 1.00 0.00 H new ATOM 0 HA ALA A 58 -10.005 0.485 7.298 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -10.233 2.319 5.543 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -9.026 1.104 5.059 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -10.655 1.075 4.341 1.00 0.00 H new ATOM 906 N ASP A 59 -12.723 -0.157 7.424 1.00 0.00 N ATOM 907 CA ASP A 59 -14.126 0.102 7.765 1.00 0.00 C ATOM 908 C ASP A 59 -14.969 0.641 6.631 1.00 0.00 C ATOM 909 O ASP A 59 -15.933 1.353 6.808 1.00 0.00 O ATOM 910 CB ASP A 59 -14.163 1.052 8.965 1.00 0.00 C ATOM 911 CG ASP A 59 -13.693 2.457 8.618 1.00 0.00 C ATOM 912 OD1 ASP A 59 -14.501 3.259 8.174 1.00 0.00 O ATOM 913 OD2 ASP A 59 -12.526 2.725 8.800 1.00 0.00 O ATOM 0 H ASP A 59 -12.354 -1.032 7.797 1.00 0.00 H new ATOM 0 HA ASP A 59 -14.577 -0.861 8.004 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -15.180 1.100 9.354 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -13.536 0.650 9.761 1.00 0.00 H new ATOM 918 N GLY A 60 -14.525 0.239 5.405 1.00 0.00 N ATOM 919 CA GLY A 60 -15.220 0.666 4.205 1.00 0.00 C ATOM 920 C GLY A 60 -14.438 0.118 3.004 1.00 0.00 C ATOM 921 O GLY A 60 -14.292 0.857 2.039 1.00 0.00 O ATOM 0 H GLY A 60 -13.715 -0.360 5.247 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -16.244 0.291 4.200 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -15.278 1.754 4.161 1.00 0.00 H new ATOM 925 N THR A 61 -14.030 -1.115 3.213 1.00 0.00 N ATOM 926 CA THR A 61 -13.269 -1.866 2.230 1.00 0.00 C ATOM 927 C THR A 61 -13.750 -3.306 2.113 1.00 0.00 C ATOM 928 O THR A 61 -14.655 -3.768 2.818 1.00 0.00 O ATOM 929 CB THR A 61 -11.752 -1.775 2.550 1.00 0.00 C ATOM 930 OG1 THR A 61 -11.369 -2.475 3.689 1.00 0.00 O ATOM 931 CG2 THR A 61 -11.245 -0.314 2.626 1.00 0.00 C ATOM 0 H THR A 61 -14.216 -1.630 4.073 1.00 0.00 H new ATOM 0 HA THR A 61 -13.435 -1.417 1.251 1.00 0.00 H new ATOM 0 HB THR A 61 -11.273 -2.264 1.702 1.00 0.00 H new ATOM 0 HG1 THR A 61 -11.297 -3.429 3.478 1.00 0.00 H new ATOM 0 HG21 THR A 61 -10.179 -0.310 2.852 1.00 0.00 H new ATOM 0 HG22 THR A 61 -11.415 0.180 1.669 1.00 0.00 H new ATOM 0 HG23 THR A 61 -11.784 0.218 3.410 1.00 0.00 H new ATOM 939 N GLU A 62 -13.147 -4.094 1.193 1.00 0.00 N ATOM 940 CA GLU A 62 -13.659 -5.469 1.126 1.00 0.00 C ATOM 941 C GLU A 62 -12.590 -6.283 0.407 1.00 0.00 C ATOM 942 O GLU A 62 -12.864 -7.180 -0.388 1.00 0.00 O ATOM 943 CB GLU A 62 -14.986 -5.454 0.401 1.00 0.00 C ATOM 944 CG GLU A 62 -15.713 -6.815 0.446 1.00 0.00 C ATOM 945 CD GLU A 62 -15.370 -7.511 1.770 1.00 0.00 C ATOM 946 OE1 GLU A 62 -15.692 -6.971 2.846 1.00 0.00 O ATOM 947 OE2 GLU A 62 -14.786 -8.580 1.740 1.00 0.00 O ATOM 0 H GLU A 62 -12.392 -3.838 0.557 1.00 0.00 H new ATOM 0 HA GLU A 62 -13.845 -5.914 2.104 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -15.627 -4.691 0.843 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -14.823 -5.170 -0.639 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -16.790 -6.671 0.362 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -15.408 -7.435 -0.397 1.00 0.00 H new ATOM 954 N LEU A 63 -11.364 -5.840 0.797 1.00 0.00 N ATOM 955 CA LEU A 63 -10.215 -6.494 0.223 1.00 0.00 C ATOM 956 C LEU A 63 -10.315 -8.010 0.453 1.00 0.00 C ATOM 957 O LEU A 63 -10.015 -8.561 1.504 1.00 0.00 O ATOM 958 CB LEU A 63 -8.913 -5.901 0.806 1.00 0.00 C ATOM 959 CG LEU A 63 -8.475 -4.639 0.037 1.00 0.00 C ATOM 960 CD1 LEU A 63 -9.118 -3.381 0.617 1.00 0.00 C ATOM 961 CD2 LEU A 63 -6.983 -4.373 0.138 1.00 0.00 C ATOM 0 H LEU A 63 -11.177 -5.087 1.459 1.00 0.00 H new ATOM 0 HA LEU A 63 -10.192 -6.321 -0.853 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -9.063 -5.655 1.857 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.120 -6.648 0.763 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.777 -4.835 -0.992 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.788 -2.510 0.051 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.203 -3.465 0.554 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -8.823 -3.269 1.660 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.735 -3.472 -0.423 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.708 -4.236 1.184 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.434 -5.220 -0.274 1.00 0.00 H new ATOM 973 N THR A 64 -10.769 -8.619 -0.650 1.00 0.00 N ATOM 974 CA THR A 64 -10.970 -10.025 -0.752 1.00 0.00 C ATOM 975 C THR A 64 -9.865 -10.605 -1.662 1.00 0.00 C ATOM 976 O THR A 64 -9.873 -10.397 -2.857 1.00 0.00 O ATOM 977 CB THR A 64 -12.333 -10.340 -1.359 1.00 0.00 C ATOM 978 OG1 THR A 64 -13.336 -10.119 -0.394 1.00 0.00 O ATOM 979 CG2 THR A 64 -12.495 -11.769 -1.829 1.00 0.00 C ATOM 0 H THR A 64 -11.005 -8.113 -1.504 1.00 0.00 H new ATOM 0 HA THR A 64 -10.930 -10.466 0.244 1.00 0.00 H new ATOM 0 HB THR A 64 -12.417 -9.687 -2.227 1.00 0.00 H new ATOM 0 HG1 THR A 64 -13.392 -9.161 -0.194 1.00 0.00 H new ATOM 0 HG21 THR A 64 -13.493 -11.904 -2.246 1.00 0.00 H new ATOM 0 HG22 THR A 64 -11.750 -11.987 -2.594 1.00 0.00 H new ATOM 0 HG23 THR A 64 -12.359 -12.447 -0.986 1.00 0.00 H new ATOM 987 N GLY A 65 -8.967 -11.317 -0.985 1.00 0.00 N ATOM 988 CA GLY A 65 -7.934 -11.854 -1.886 1.00 0.00 C ATOM 989 C GLY A 65 -7.216 -12.980 -1.145 1.00 0.00 C ATOM 990 O GLY A 65 -7.719 -13.516 -0.184 1.00 0.00 O ATOM 0 H GLY A 65 -8.917 -11.518 0.014 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -8.384 -12.227 -2.806 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.230 -11.072 -2.170 1.00 0.00 H new ATOM 994 N THR A 66 -6.047 -13.222 -1.717 1.00 0.00 N ATOM 995 CA THR A 66 -5.122 -14.236 -1.248 1.00 0.00 C ATOM 996 C THR A 66 -3.666 -14.022 -1.563 1.00 0.00 C ATOM 997 O THR A 66 -3.148 -14.289 -2.643 1.00 0.00 O ATOM 998 CB THR A 66 -5.627 -15.532 -1.941 1.00 0.00 C ATOM 999 OG1 THR A 66 -4.808 -16.562 -1.506 1.00 0.00 O ATOM 1000 CG2 THR A 66 -5.553 -15.324 -3.458 1.00 0.00 C ATOM 0 H THR A 66 -5.711 -12.710 -2.533 1.00 0.00 H new ATOM 0 HA THR A 66 -5.127 -14.244 -0.158 1.00 0.00 H new ATOM 0 HB THR A 66 -6.661 -15.775 -1.695 1.00 0.00 H new ATOM 0 HG1 THR A 66 -5.093 -17.404 -1.919 1.00 0.00 H new ATOM 0 HG21 THR A 66 -5.903 -16.223 -3.966 1.00 0.00 H new ATOM 0 HG22 THR A 66 -6.181 -14.479 -3.740 1.00 0.00 H new ATOM 0 HG23 THR A 66 -4.522 -15.122 -3.748 1.00 0.00 H new ATOM 1008 N TRP A 67 -2.878 -13.507 -0.586 1.00 0.00 N ATOM 1009 CA TRP A 67 -1.453 -13.305 -0.917 1.00 0.00 C ATOM 1010 C TRP A 67 -0.808 -14.702 -0.721 1.00 0.00 C ATOM 1011 O TRP A 67 -1.020 -15.219 0.335 1.00 0.00 O ATOM 1012 CB TRP A 67 -0.752 -12.273 -0.050 1.00 0.00 C ATOM 1013 CG TRP A 67 -1.477 -10.957 -0.332 1.00 0.00 C ATOM 1014 CD1 TRP A 67 -2.003 -10.115 0.645 1.00 0.00 C ATOM 1015 CD2 TRP A 67 -1.739 -10.368 -1.624 1.00 0.00 C ATOM 1016 NE1 TRP A 67 -2.526 -9.132 -0.022 1.00 0.00 N ATOM 1017 CE2 TRP A 67 -2.425 -9.186 -1.393 1.00 0.00 C ATOM 1018 CE3 TRP A 67 -1.475 -10.713 -2.894 1.00 0.00 C ATOM 1019 CZ2 TRP A 67 -2.812 -8.418 -2.442 1.00 0.00 C ATOM 1020 CZ3 TRP A 67 -1.866 -9.938 -3.958 1.00 0.00 C ATOM 1021 CH2 TRP A 67 -2.546 -8.773 -3.730 1.00 0.00 C ATOM 0 H TRP A 67 -3.172 -13.245 0.355 1.00 0.00 H new ATOM 0 HA TRP A 67 -1.357 -12.912 -1.929 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -0.813 -12.538 1.006 1.00 0.00 H new ATOM 0 HB3 TRP A 67 0.306 -12.201 -0.300 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -1.981 -10.250 1.716 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -2.990 -8.355 0.449 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -0.938 -11.630 -3.085 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -3.346 -7.499 -2.251 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -1.638 -10.246 -4.968 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -2.865 -8.149 -4.552 1.00 0.00 H new ATOM 1032 N THR A 68 -0.132 -15.026 -1.823 1.00 0.00 N ATOM 1033 CA THR A 68 0.560 -16.279 -1.894 1.00 0.00 C ATOM 1034 C THR A 68 2.061 -16.056 -2.125 1.00 0.00 C ATOM 1035 O THR A 68 2.547 -16.366 -3.190 1.00 0.00 O ATOM 1036 CB THR A 68 0.044 -17.265 -2.939 1.00 0.00 C ATOM 1037 OG1 THR A 68 0.059 -16.778 -4.274 1.00 0.00 O ATOM 1038 CG2 THR A 68 -1.350 -17.817 -2.622 1.00 0.00 C ATOM 0 H THR A 68 -0.058 -14.441 -2.655 1.00 0.00 H new ATOM 0 HA THR A 68 0.366 -16.740 -0.925 1.00 0.00 H new ATOM 0 HB THR A 68 0.769 -18.077 -2.877 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.950 -16.430 -4.485 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.654 -18.511 -3.406 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.326 -18.339 -1.665 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.064 -16.995 -2.569 1.00 0.00 H new ATOM 1046 N MET A 69 2.592 -15.523 -1.037 1.00 0.00 N ATOM 1047 CA MET A 69 3.999 -15.168 -0.882 1.00 0.00 C ATOM 1048 C MET A 69 4.754 -16.366 -1.478 1.00 0.00 C ATOM 1049 O MET A 69 4.624 -17.473 -0.978 1.00 0.00 O ATOM 1050 CB MET A 69 4.373 -15.110 0.607 1.00 0.00 C ATOM 1051 CG MET A 69 5.805 -14.568 0.777 1.00 0.00 C ATOM 1052 SD MET A 69 6.258 -14.540 2.496 1.00 0.00 S ATOM 1053 CE MET A 69 6.291 -16.282 2.910 1.00 0.00 C ATOM 0 H MET A 69 2.038 -15.317 -0.206 1.00 0.00 H new ATOM 0 HA MET A 69 4.223 -14.207 -1.345 1.00 0.00 H new ATOM 0 HB2 MET A 69 3.669 -14.472 1.141 1.00 0.00 H new ATOM 0 HB3 MET A 69 4.299 -16.105 1.047 1.00 0.00 H new ATOM 0 HG2 MET A 69 6.505 -15.191 0.220 1.00 0.00 H new ATOM 0 HG3 MET A 69 5.872 -13.563 0.360 1.00 0.00 H new ATOM 0 HE1 MET A 69 5.498 -16.501 3.625 1.00 0.00 H new ATOM 0 HE2 MET A 69 6.139 -16.873 2.007 1.00 0.00 H new ATOM 0 HE3 MET A 69 7.256 -16.533 3.350 1.00 0.00 H new ATOM 1063 N GLU A 70 5.491 -15.958 -2.530 1.00 0.00 N ATOM 1064 CA GLU A 70 6.286 -16.968 -3.230 1.00 0.00 C ATOM 1065 C GLU A 70 7.750 -16.621 -3.171 1.00 0.00 C ATOM 1066 O GLU A 70 8.413 -16.441 -4.180 1.00 0.00 O ATOM 1067 CB GLU A 70 5.835 -16.988 -4.711 1.00 0.00 C ATOM 1068 CG GLU A 70 6.157 -18.226 -5.527 1.00 0.00 C ATOM 1069 CD GLU A 70 5.878 -19.522 -4.756 1.00 0.00 C ATOM 1070 OE1 GLU A 70 4.671 -19.834 -4.629 1.00 0.00 O ATOM 1071 OE2 GLU A 70 6.836 -20.161 -4.314 1.00 0.00 O ATOM 0 H GLU A 70 5.550 -15.005 -2.890 1.00 0.00 H new ATOM 0 HA GLU A 70 6.138 -17.940 -2.760 1.00 0.00 H new ATOM 0 HB2 GLU A 70 4.755 -16.841 -4.735 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.285 -16.130 -5.211 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.567 -18.217 -6.444 1.00 0.00 H new ATOM 0 HG3 GLU A 70 7.206 -18.201 -5.823 1.00 0.00 H new ATOM 1078 N GLY A 71 8.218 -16.542 -1.907 1.00 0.00 N ATOM 1079 CA GLY A 71 9.605 -16.217 -1.734 1.00 0.00 C ATOM 1080 C GLY A 71 9.827 -14.703 -1.860 1.00 0.00 C ATOM 1081 O GLY A 71 9.847 -13.934 -0.905 1.00 0.00 O ATOM 0 H GLY A 71 7.677 -16.692 -1.055 1.00 0.00 H new ATOM 0 HA2 GLY A 71 9.945 -16.559 -0.757 1.00 0.00 H new ATOM 0 HA3 GLY A 71 10.202 -16.741 -2.480 1.00 0.00 H new ATOM 1085 N ASN A 72 9.992 -14.343 -3.134 1.00 0.00 N ATOM 1086 CA ASN A 72 10.213 -12.954 -3.456 1.00 0.00 C ATOM 1087 C ASN A 72 9.106 -12.328 -4.300 1.00 0.00 C ATOM 1088 O ASN A 72 9.461 -11.342 -4.967 1.00 0.00 O ATOM 1089 CB ASN A 72 11.536 -12.903 -4.242 1.00 0.00 C ATOM 1090 CG ASN A 72 12.363 -11.760 -3.669 1.00 0.00 C ATOM 1091 OD1 ASN A 72 12.868 -10.964 -4.473 1.00 0.00 O ATOM 1092 ND2 ASN A 72 12.504 -11.664 -2.361 1.00 0.00 N ATOM 0 H ASN A 72 9.976 -14.980 -3.930 1.00 0.00 H new ATOM 0 HA ASN A 72 10.234 -12.381 -2.529 1.00 0.00 H new ATOM 0 HB2 ASN A 72 12.073 -13.848 -4.152 1.00 0.00 H new ATOM 0 HB3 ASN A 72 11.346 -12.744 -5.304 1.00 0.00 H new ATOM 0 HD21 ASN A 72 13.053 -10.903 -1.962 1.00 0.00 H new ATOM 0 HD22 ASN A 72 12.064 -12.351 -1.749 1.00 0.00 H new ATOM 1099 N LYS A 73 7.904 -12.928 -4.209 1.00 0.00 N ATOM 1100 CA LYS A 73 6.835 -12.323 -5.028 1.00 0.00 C ATOM 1101 C LYS A 73 5.653 -11.940 -4.133 1.00 0.00 C ATOM 1102 O LYS A 73 5.868 -12.053 -2.931 1.00 0.00 O ATOM 1103 CB LYS A 73 6.524 -13.138 -6.265 1.00 0.00 C ATOM 1104 CG LYS A 73 7.639 -13.962 -6.844 1.00 0.00 C ATOM 1105 CD LYS A 73 8.318 -13.336 -8.080 1.00 0.00 C ATOM 1106 CE LYS A 73 9.830 -13.195 -7.852 1.00 0.00 C ATOM 1107 NZ LYS A 73 10.606 -14.259 -8.461 1.00 0.00 N ATOM 0 H LYS A 73 7.661 -13.741 -3.644 1.00 0.00 H new ATOM 0 HA LYS A 73 7.176 -11.383 -5.462 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.697 -13.808 -6.029 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.171 -12.456 -7.039 1.00 0.00 H new ATOM 0 HG2 LYS A 73 8.393 -14.124 -6.073 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.247 -14.942 -7.117 1.00 0.00 H new ATOM 0 HD2 LYS A 73 8.133 -13.957 -8.957 1.00 0.00 H new ATOM 0 HD3 LYS A 73 7.883 -12.358 -8.285 1.00 0.00 H new ATOM 0 HE2 LYS A 73 10.163 -12.238 -8.253 1.00 0.00 H new ATOM 0 HE3 LYS A 73 10.028 -13.178 -6.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 11.617 -14.105 -8.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 10.314 -15.174 -8.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 10.444 -14.262 -9.488 1.00 0.00 H new ATOM 1121 N LEU A 74 4.528 -11.521 -4.701 1.00 0.00 N ATOM 1122 CA LEU A 74 3.438 -11.157 -3.821 1.00 0.00 C ATOM 1123 C LEU A 74 2.082 -11.201 -4.474 1.00 0.00 C ATOM 1124 O LEU A 74 1.184 -10.409 -4.271 1.00 0.00 O ATOM 1125 CB LEU A 74 3.747 -9.811 -3.114 1.00 0.00 C ATOM 1126 CG LEU A 74 3.824 -10.100 -1.584 1.00 0.00 C ATOM 1127 CD1 LEU A 74 4.216 -8.918 -0.721 1.00 0.00 C ATOM 1128 CD2 LEU A 74 2.575 -10.796 -1.055 1.00 0.00 C ATOM 0 H LEU A 74 4.355 -11.430 -5.702 1.00 0.00 H new ATOM 0 HA LEU A 74 3.370 -11.927 -3.052 1.00 0.00 H new ATOM 0 HB2 LEU A 74 4.687 -9.394 -3.474 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.970 -9.077 -3.328 1.00 0.00 H new ATOM 0 HG LEU A 74 4.658 -10.796 -1.495 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.241 -9.224 0.325 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.202 -8.562 -1.018 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.487 -8.117 -0.848 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.683 -10.973 0.015 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.704 -10.165 -1.233 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.444 -11.748 -1.569 1.00 0.00 H new ATOM 1140 N VAL A 75 2.080 -12.280 -5.314 1.00 0.00 N ATOM 1141 CA VAL A 75 0.942 -12.633 -6.108 1.00 0.00 C ATOM 1142 C VAL A 75 -0.319 -12.995 -5.305 1.00 0.00 C ATOM 1143 O VAL A 75 -0.383 -13.700 -4.319 1.00 0.00 O ATOM 1144 CB VAL A 75 1.371 -13.714 -7.099 1.00 0.00 C ATOM 1145 CG1 VAL A 75 0.246 -14.396 -7.836 1.00 0.00 C ATOM 1146 CG2 VAL A 75 2.108 -13.051 -8.301 1.00 0.00 C ATOM 0 H VAL A 75 2.879 -12.903 -5.433 1.00 0.00 H new ATOM 0 HA VAL A 75 0.616 -11.747 -6.653 1.00 0.00 H new ATOM 0 HB VAL A 75 1.935 -14.408 -6.476 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.656 -15.145 -8.514 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.418 -14.880 -7.119 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -0.315 -13.657 -8.409 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.415 -13.821 -9.009 1.00 0.00 H new ATOM 0 HG22 VAL A 75 1.438 -12.349 -8.796 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.988 -12.519 -7.940 1.00 0.00 H new ATOM 1156 N GLY A 76 -1.393 -12.408 -5.847 1.00 0.00 N ATOM 1157 CA GLY A 76 -2.717 -12.603 -5.241 1.00 0.00 C ATOM 1158 C GLY A 76 -3.554 -11.423 -5.755 1.00 0.00 C ATOM 1159 O GLY A 76 -3.178 -10.815 -6.742 1.00 0.00 O ATOM 0 H GLY A 76 -1.377 -11.814 -6.676 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -3.152 -13.557 -5.538 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.659 -12.604 -4.153 1.00 0.00 H new ATOM 1163 N LYS A 77 -4.667 -11.188 -5.009 1.00 0.00 N ATOM 1164 CA LYS A 77 -5.454 -10.079 -5.479 1.00 0.00 C ATOM 1165 C LYS A 77 -6.610 -9.762 -4.556 1.00 0.00 C ATOM 1166 O LYS A 77 -7.430 -10.616 -4.305 1.00 0.00 O ATOM 1167 CB LYS A 77 -5.989 -10.528 -6.846 1.00 0.00 C ATOM 1168 CG LYS A 77 -7.294 -9.860 -7.213 1.00 0.00 C ATOM 1169 CD LYS A 77 -8.154 -10.679 -8.168 1.00 0.00 C ATOM 1170 CE LYS A 77 -7.896 -10.406 -9.655 1.00 0.00 C ATOM 1171 NZ LYS A 77 -9.000 -10.951 -10.462 1.00 0.00 N ATOM 0 H LYS A 77 -4.990 -11.694 -4.185 1.00 0.00 H new ATOM 0 HA LYS A 77 -4.853 -9.171 -5.528 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -5.246 -10.308 -7.612 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -6.129 -11.609 -6.839 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -7.861 -9.666 -6.303 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -7.081 -8.893 -7.668 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -7.984 -11.738 -7.972 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -9.204 -10.479 -7.952 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -7.803 -9.334 -9.826 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -6.953 -10.860 -9.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -8.820 -10.763 -11.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -9.069 -11.977 -10.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -9.893 -10.498 -10.180 1.00 0.00 H new ATOM 1185 N PHE A 78 -6.538 -8.484 -4.145 1.00 0.00 N ATOM 1186 CA PHE A 78 -7.567 -7.975 -3.244 1.00 0.00 C ATOM 1187 C PHE A 78 -8.091 -6.756 -4.013 1.00 0.00 C ATOM 1188 O PHE A 78 -7.475 -6.022 -4.724 1.00 0.00 O ATOM 1189 CB PHE A 78 -7.000 -7.754 -1.876 1.00 0.00 C ATOM 1190 CG PHE A 78 -6.284 -8.894 -1.281 1.00 0.00 C ATOM 1191 CD1 PHE A 78 -5.329 -9.690 -1.839 1.00 0.00 C ATOM 1192 CD2 PHE A 78 -6.555 -9.276 0.034 1.00 0.00 C ATOM 1193 CE1 PHE A 78 -4.746 -10.725 -1.155 1.00 0.00 C ATOM 1194 CE2 PHE A 78 -5.936 -10.328 0.669 1.00 0.00 C ATOM 1195 CZ PHE A 78 -4.997 -11.045 -0.010 1.00 0.00 C ATOM 0 H PHE A 78 -5.812 -7.818 -4.410 1.00 0.00 H new ATOM 0 HA PHE A 78 -8.399 -8.641 -3.014 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -6.318 -6.905 -1.920 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -7.814 -7.474 -1.208 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -5.021 -9.499 -2.856 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -7.294 -8.713 0.585 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -4.000 -11.305 -1.678 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -6.190 -10.581 1.688 1.00 0.00 H new ATOM 0 HZ PHE A 78 -4.489 -11.876 0.457 1.00 0.00 H new ATOM 1205 N LYS A 79 -9.396 -6.684 -3.721 1.00 0.00 N ATOM 1206 CA LYS A 79 -10.250 -5.678 -4.257 1.00 0.00 C ATOM 1207 C LYS A 79 -11.278 -5.056 -3.333 1.00 0.00 C ATOM 1208 O LYS A 79 -11.709 -5.735 -2.414 1.00 0.00 O ATOM 1209 CB LYS A 79 -11.028 -6.552 -5.298 1.00 0.00 C ATOM 1210 CG LYS A 79 -11.637 -5.684 -6.385 1.00 0.00 C ATOM 1211 CD LYS A 79 -12.988 -6.159 -6.977 1.00 0.00 C ATOM 1212 CE LYS A 79 -12.776 -7.410 -7.855 1.00 0.00 C ATOM 1213 NZ LYS A 79 -13.932 -7.867 -8.608 1.00 0.00 N ATOM 0 H LYS A 79 -9.869 -7.339 -3.099 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.669 -4.815 -4.582 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -10.352 -7.281 -5.745 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -11.814 -7.114 -4.793 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.776 -4.681 -5.982 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.917 -5.604 -7.200 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.687 -6.386 -6.171 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -13.434 -5.361 -7.570 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.969 -7.203 -8.558 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -12.440 -8.225 -7.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -13.676 -8.710 -9.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -14.703 -8.104 -7.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -14.246 -7.114 -9.253 1.00 0.00 H new ATOM 1227 N ARG A 80 -11.643 -3.801 -3.630 1.00 0.00 N ATOM 1228 CA ARG A 80 -12.643 -3.183 -2.782 1.00 0.00 C ATOM 1229 C ARG A 80 -13.941 -2.956 -3.614 1.00 0.00 C ATOM 1230 O ARG A 80 -14.321 -1.799 -3.792 1.00 0.00 O ATOM 1231 CB ARG A 80 -12.208 -1.920 -2.061 1.00 0.00 C ATOM 1232 CG ARG A 80 -11.405 -1.072 -3.040 1.00 0.00 C ATOM 1233 CD ARG A 80 -11.018 0.318 -2.538 1.00 0.00 C ATOM 1234 NE ARG A 80 -11.815 0.768 -1.416 1.00 0.00 N ATOM 1235 CZ ARG A 80 -11.796 2.049 -1.029 1.00 0.00 C ATOM 1236 NH1 ARG A 80 -11.095 3.023 -1.572 1.00 0.00 N ATOM 1237 NH2 ARG A 80 -12.587 2.328 0.029 1.00 0.00 N ATOM 0 H ARG A 80 -11.284 -3.234 -4.399 1.00 0.00 H new ATOM 0 HA ARG A 80 -12.825 -3.882 -1.966 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -13.076 -1.368 -1.702 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -11.605 -2.168 -1.188 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -10.495 -1.612 -3.301 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -11.983 -0.961 -3.957 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -9.967 0.312 -2.248 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -11.119 1.032 -3.355 1.00 0.00 H new ATOM 0 HE ARG A 80 -12.399 0.099 -0.914 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -10.490 2.832 -2.371 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -11.157 3.968 -1.194 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -13.136 1.587 0.464 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -12.635 3.280 0.393 1.00 0.00 H new ATOM 1251 N VAL A 81 -14.432 -4.117 -4.008 1.00 0.00 N ATOM 1252 CA VAL A 81 -15.602 -4.354 -4.794 1.00 0.00 C ATOM 1253 C VAL A 81 -16.589 -3.180 -4.878 1.00 0.00 C ATOM 1254 O VAL A 81 -17.069 -2.900 -5.971 1.00 0.00 O ATOM 1255 CB VAL A 81 -16.365 -5.487 -4.102 1.00 0.00 C ATOM 1256 CG1 VAL A 81 -17.840 -5.474 -4.522 1.00 0.00 C ATOM 1257 CG2 VAL A 81 -15.864 -6.900 -4.457 1.00 0.00 C ATOM 0 H VAL A 81 -13.970 -4.990 -3.756 1.00 0.00 H new ATOM 0 HA VAL A 81 -15.257 -4.558 -5.808 1.00 0.00 H new ATOM 0 HB VAL A 81 -16.211 -5.299 -3.039 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -18.368 -6.286 -4.021 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -18.290 -4.521 -4.242 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -17.912 -5.606 -5.602 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -16.459 -7.642 -3.924 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -15.960 -7.061 -5.531 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -14.818 -6.998 -4.168 1.00 0.00 H new ATOM 1267 N ASP A 82 -16.782 -2.622 -3.702 1.00 0.00 N ATOM 1268 CA ASP A 82 -17.665 -1.508 -3.500 1.00 0.00 C ATOM 1269 C ASP A 82 -17.219 -0.244 -4.195 1.00 0.00 C ATOM 1270 O ASP A 82 -18.015 0.713 -4.085 1.00 0.00 O ATOM 1271 CB ASP A 82 -17.827 -1.206 -1.978 1.00 0.00 C ATOM 1272 CG ASP A 82 -19.203 -0.673 -1.690 1.00 0.00 C ATOM 1273 OD1 ASP A 82 -20.098 -0.600 -2.536 1.00 0.00 O ATOM 1274 OD2 ASP A 82 -19.422 -0.289 -0.536 1.00 0.00 O ATOM 0 H ASP A 82 -16.320 -2.939 -2.850 1.00 0.00 H new ATOM 0 HA ASP A 82 -18.615 -1.808 -3.941 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -17.654 -2.114 -1.401 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -17.077 -0.481 -1.663 1.00 0.00 H new ATOM 1279 N ASN A 83 -16.041 -0.221 -4.868 1.00 0.00 N ATOM 1280 CA ASN A 83 -15.697 1.035 -5.482 1.00 0.00 C ATOM 1281 C ASN A 83 -14.268 1.125 -5.983 1.00 0.00 C ATOM 1282 O ASN A 83 -13.983 1.836 -6.961 1.00 0.00 O ATOM 1283 CB ASN A 83 -15.784 2.181 -4.428 1.00 0.00 C ATOM 1284 CG ASN A 83 -14.658 3.184 -4.621 1.00 0.00 C ATOM 1285 OD1 ASN A 83 -14.732 4.188 -5.328 1.00 0.00 O ATOM 1286 ND2 ASN A 83 -13.560 2.856 -3.930 1.00 0.00 N ATOM 0 H ASN A 83 -15.383 -0.992 -4.982 1.00 0.00 H new ATOM 0 HA ASN A 83 -16.395 1.119 -6.315 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -16.746 2.687 -4.514 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -15.734 1.761 -3.423 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -12.732 3.450 -3.975 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -13.551 2.012 -3.358 1.00 0.00 H new ATOM 1293 N GLY A 84 -13.394 0.390 -5.274 1.00 0.00 N ATOM 1294 CA GLY A 84 -12.036 0.512 -5.761 1.00 0.00 C ATOM 1295 C GLY A 84 -11.941 -0.609 -6.841 1.00 0.00 C ATOM 1296 O GLY A 84 -11.184 -0.393 -7.770 1.00 0.00 O ATOM 0 H GLY A 84 -13.574 -0.213 -4.472 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -11.848 1.498 -6.187 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -11.308 0.365 -4.963 1.00 0.00 H new ATOM 1300 N LYS A 85 -12.740 -1.638 -6.525 1.00 0.00 N ATOM 1301 CA LYS A 85 -12.891 -2.815 -7.343 1.00 0.00 C ATOM 1302 C LYS A 85 -11.657 -3.533 -7.819 1.00 0.00 C ATOM 1303 O LYS A 85 -11.814 -4.337 -8.740 1.00 0.00 O ATOM 1304 CB LYS A 85 -13.728 -2.386 -8.561 1.00 0.00 C ATOM 1305 CG LYS A 85 -12.707 -2.050 -9.670 1.00 0.00 C ATOM 1306 CD LYS A 85 -13.166 -0.885 -10.516 1.00 0.00 C ATOM 1307 CE LYS A 85 -14.007 0.206 -9.841 1.00 0.00 C ATOM 1308 NZ LYS A 85 -14.050 1.425 -10.671 1.00 0.00 N ATOM 0 H LYS A 85 -13.303 -1.661 -5.675 1.00 0.00 H new ATOM 0 HA LYS A 85 -13.350 -3.560 -6.692 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -14.400 -3.185 -8.876 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -14.349 -1.522 -8.325 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -11.743 -1.815 -9.219 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -12.557 -2.924 -10.304 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -12.281 -0.410 -10.940 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -13.744 -1.284 -11.350 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -15.020 -0.161 -9.674 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -13.587 0.442 -8.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -14.624 2.149 -10.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -13.084 1.785 -10.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -14.472 1.201 -11.595 1.00 0.00 H new ATOM 1322 N GLU A 86 -10.532 -3.217 -7.135 1.00 0.00 N ATOM 1323 CA GLU A 86 -9.297 -3.846 -7.479 1.00 0.00 C ATOM 1324 C GLU A 86 -8.111 -2.995 -6.912 1.00 0.00 C ATOM 1325 O GLU A 86 -8.063 -1.907 -7.414 1.00 0.00 O ATOM 1326 CB GLU A 86 -9.002 -4.044 -8.964 1.00 0.00 C ATOM 1327 CG GLU A 86 -9.487 -5.336 -9.616 1.00 0.00 C ATOM 1328 CD GLU A 86 -10.206 -5.027 -10.930 1.00 0.00 C ATOM 1329 OE1 GLU A 86 -9.593 -4.358 -11.747 1.00 0.00 O ATOM 1330 OE2 GLU A 86 -11.345 -5.424 -11.175 1.00 0.00 O ATOM 0 H GLU A 86 -10.482 -2.546 -6.368 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.397 -4.842 -7.048 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -9.442 -3.208 -9.508 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -7.923 -3.982 -9.103 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -8.641 -5.997 -9.803 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -10.160 -5.863 -8.940 1.00 0.00 H new ATOM 1337 N LEU A 87 -7.470 -3.715 -6.020 1.00 0.00 N ATOM 1338 CA LEU A 87 -6.316 -3.130 -5.357 1.00 0.00 C ATOM 1339 C LEU A 87 -5.335 -4.165 -4.907 1.00 0.00 C ATOM 1340 O LEU A 87 -4.975 -4.333 -3.767 1.00 0.00 O ATOM 1341 CB LEU A 87 -6.744 -2.097 -4.293 1.00 0.00 C ATOM 1342 CG LEU A 87 -7.335 -0.774 -4.872 1.00 0.00 C ATOM 1343 CD1 LEU A 87 -8.858 -0.870 -4.945 1.00 0.00 C ATOM 1344 CD2 LEU A 87 -6.957 0.502 -4.114 1.00 0.00 C ATOM 0 H LEU A 87 -7.710 -4.667 -5.742 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.750 -2.550 -6.086 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -7.486 -2.555 -3.639 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -5.880 -1.853 -3.674 1.00 0.00 H new ATOM 0 HG LEU A 87 -6.886 -0.680 -5.861 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -9.262 0.058 -5.350 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -9.140 -1.701 -5.591 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -9.260 -1.035 -3.946 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.419 1.363 -4.598 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.309 0.432 -3.085 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -5.873 0.621 -4.119 1.00 0.00 H new ATOM 1356 N ILE A 88 -4.936 -4.851 -5.981 1.00 0.00 N ATOM 1357 CA ILE A 88 -3.965 -5.925 -5.857 1.00 0.00 C ATOM 1358 C ILE A 88 -2.650 -5.226 -5.450 1.00 0.00 C ATOM 1359 O ILE A 88 -2.642 -4.034 -5.270 1.00 0.00 O ATOM 1360 CB ILE A 88 -3.914 -6.552 -7.249 1.00 0.00 C ATOM 1361 CG1 ILE A 88 -5.304 -7.108 -7.641 1.00 0.00 C ATOM 1362 CG2 ILE A 88 -2.915 -7.629 -7.540 1.00 0.00 C ATOM 1363 CD1 ILE A 88 -5.419 -7.595 -9.073 1.00 0.00 C ATOM 0 H ILE A 88 -5.268 -4.681 -6.930 1.00 0.00 H new ATOM 0 HA ILE A 88 -4.181 -6.704 -5.126 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.577 -5.700 -7.840 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.551 -7.932 -6.972 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.049 -6.330 -7.477 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -3.023 -7.955 -8.574 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.908 -7.243 -7.385 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.086 -8.474 -6.873 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.429 -7.965 -9.251 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.209 -6.771 -9.755 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -4.702 -8.399 -9.243 1.00 0.00 H new ATOM 1375 N ALA A 89 -1.638 -6.085 -5.348 1.00 0.00 N ATOM 1376 CA ALA A 89 -0.305 -5.703 -4.976 1.00 0.00 C ATOM 1377 C ALA A 89 0.616 -6.674 -5.657 1.00 0.00 C ATOM 1378 O ALA A 89 1.323 -7.413 -5.040 1.00 0.00 O ATOM 1379 CB ALA A 89 -0.170 -5.771 -3.423 1.00 0.00 C ATOM 0 H ALA A 89 -1.739 -7.084 -5.528 1.00 0.00 H new ATOM 0 HA ALA A 89 -0.061 -4.684 -5.277 1.00 0.00 H new ATOM 0 HB1 ALA A 89 0.840 -5.482 -3.133 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -0.888 -5.090 -2.965 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -0.368 -6.788 -3.085 1.00 0.00 H new ATOM 1385 N VAL A 90 0.516 -6.571 -6.971 1.00 0.00 N ATOM 1386 CA VAL A 90 1.337 -7.435 -7.775 1.00 0.00 C ATOM 1387 C VAL A 90 2.780 -6.993 -7.550 1.00 0.00 C ATOM 1388 O VAL A 90 3.180 -5.890 -7.965 1.00 0.00 O ATOM 1389 CB VAL A 90 1.030 -7.249 -9.262 1.00 0.00 C ATOM 1390 CG1 VAL A 90 2.207 -7.770 -10.108 1.00 0.00 C ATOM 1391 CG2 VAL A 90 -0.161 -8.026 -9.782 1.00 0.00 C ATOM 0 H VAL A 90 -0.095 -5.930 -7.477 1.00 0.00 H new ATOM 0 HA VAL A 90 1.158 -8.475 -7.502 1.00 0.00 H new ATOM 0 HB VAL A 90 0.834 -6.180 -9.349 1.00 0.00 H new ATOM 0 HG11 VAL A 90 1.982 -7.635 -11.166 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.111 -7.215 -9.855 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.362 -8.829 -9.902 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.291 -7.824 -10.845 1.00 0.00 H new ATOM 0 HG22 VAL A 90 0.007 -9.093 -9.634 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.058 -7.722 -9.242 1.00 0.00 H new ATOM 1401 N ARG A 91 3.521 -7.912 -6.880 1.00 0.00 N ATOM 1402 CA ARG A 91 4.863 -7.444 -6.694 1.00 0.00 C ATOM 1403 C ARG A 91 5.854 -8.429 -6.117 1.00 0.00 C ATOM 1404 O ARG A 91 5.437 -9.347 -5.483 1.00 0.00 O ATOM 1405 CB ARG A 91 4.948 -6.248 -5.705 1.00 0.00 C ATOM 1406 CG ARG A 91 6.129 -5.336 -5.870 1.00 0.00 C ATOM 1407 CD ARG A 91 6.240 -4.436 -7.118 1.00 0.00 C ATOM 1408 NE ARG A 91 6.160 -5.191 -8.342 1.00 0.00 N ATOM 1409 CZ ARG A 91 7.189 -5.858 -8.843 1.00 0.00 C ATOM 1410 NH1 ARG A 91 8.391 -5.853 -8.217 1.00 0.00 N ATOM 1411 NH2 ARG A 91 7.074 -6.544 -9.964 1.00 0.00 N ATOM 0 H ARG A 91 3.252 -8.828 -6.521 1.00 0.00 H new ATOM 0 HA ARG A 91 5.125 -7.202 -7.724 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.040 -5.654 -5.806 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.959 -6.643 -4.689 1.00 0.00 H new ATOM 0 HG2 ARG A 91 6.160 -4.684 -4.997 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.025 -5.956 -5.837 1.00 0.00 H new ATOM 0 HD2 ARG A 91 5.444 -3.692 -7.099 1.00 0.00 H new ATOM 0 HD3 ARG A 91 7.185 -3.893 -7.089 1.00 0.00 H new ATOM 0 HE ARG A 91 5.273 -5.213 -8.845 1.00 0.00 H new ATOM 0 HH11 ARG A 91 8.512 -5.331 -7.349 1.00 0.00 H new ATOM 0 HH12 ARG A 91 9.175 -6.371 -8.614 1.00 0.00 H new ATOM 0 HH21 ARG A 91 6.182 -6.566 -10.459 1.00 0.00 H new ATOM 0 HH22 ARG A 91 7.877 -7.052 -10.336 1.00 0.00 H new ATOM 1425 N GLU A 92 7.121 -8.102 -6.423 1.00 0.00 N ATOM 1426 CA GLU A 92 8.176 -8.947 -5.930 1.00 0.00 C ATOM 1427 C GLU A 92 9.259 -7.982 -5.439 1.00 0.00 C ATOM 1428 O GLU A 92 9.403 -6.906 -6.008 1.00 0.00 O ATOM 1429 CB GLU A 92 8.608 -9.746 -7.146 1.00 0.00 C ATOM 1430 CG GLU A 92 7.827 -9.490 -8.474 1.00 0.00 C ATOM 1431 CD GLU A 92 8.706 -9.846 -9.658 1.00 0.00 C ATOM 1432 OE1 GLU A 92 9.792 -10.367 -9.493 1.00 0.00 O ATOM 1433 OE2 GLU A 92 8.281 -9.588 -10.798 1.00 0.00 O ATOM 0 H GLU A 92 7.412 -7.299 -6.980 1.00 0.00 H new ATOM 0 HA GLU A 92 7.921 -9.628 -5.118 1.00 0.00 H new ATOM 0 HB2 GLU A 92 9.663 -9.542 -7.328 1.00 0.00 H new ATOM 0 HB3 GLU A 92 8.525 -10.805 -6.903 1.00 0.00 H new ATOM 0 HG2 GLU A 92 6.915 -10.087 -8.492 1.00 0.00 H new ATOM 0 HG3 GLU A 92 7.525 -8.445 -8.534 1.00 0.00 H new ATOM 1440 N ILE A 93 9.905 -8.535 -4.401 1.00 0.00 N ATOM 1441 CA ILE A 93 10.983 -7.773 -3.791 1.00 0.00 C ATOM 1442 C ILE A 93 12.008 -7.403 -4.861 1.00 0.00 C ATOM 1443 O ILE A 93 12.839 -8.299 -5.106 1.00 0.00 O ATOM 1444 CB ILE A 93 11.607 -8.465 -2.574 1.00 0.00 C ATOM 1445 CG1 ILE A 93 10.509 -8.945 -1.608 1.00 0.00 C ATOM 1446 CG2 ILE A 93 12.487 -7.575 -1.715 1.00 0.00 C ATOM 1447 CD1 ILE A 93 9.733 -7.834 -0.866 1.00 0.00 C ATOM 0 H ILE A 93 9.711 -9.449 -3.993 1.00 0.00 H new ATOM 0 HA ILE A 93 10.561 -6.855 -3.383 1.00 0.00 H new ATOM 0 HB ILE A 93 12.203 -9.265 -3.014 1.00 0.00 H new ATOM 0 HG12 ILE A 93 9.795 -9.547 -2.170 1.00 0.00 H new ATOM 0 HG13 ILE A 93 10.965 -9.601 -0.866 1.00 0.00 H new ATOM 0 HG21 ILE A 93 12.883 -8.152 -0.879 1.00 0.00 H new ATOM 0 HG22 ILE A 93 13.313 -7.192 -2.315 1.00 0.00 H new ATOM 0 HG23 ILE A 93 11.898 -6.741 -1.333 1.00 0.00 H new ATOM 0 HD11 ILE A 93 8.986 -8.286 -0.214 1.00 0.00 H new ATOM 0 HD12 ILE A 93 10.427 -7.243 -0.268 1.00 0.00 H new ATOM 0 HD13 ILE A 93 9.238 -7.189 -1.592 1.00 0.00 H new ATOM 1459 N SER A 94 11.864 -6.190 -5.374 1.00 0.00 N ATOM 1460 CA SER A 94 12.781 -5.728 -6.408 1.00 0.00 C ATOM 1461 C SER A 94 14.209 -6.163 -6.188 1.00 0.00 C ATOM 1462 O SER A 94 14.796 -6.817 -7.044 1.00 0.00 O ATOM 1463 CB SER A 94 12.690 -4.194 -6.530 1.00 0.00 C ATOM 1464 OG SER A 94 13.871 -3.660 -7.022 1.00 0.00 O ATOM 0 H SER A 94 11.142 -5.523 -5.102 1.00 0.00 H new ATOM 0 HA SER A 94 12.471 -6.197 -7.342 1.00 0.00 H new ATOM 0 HB2 SER A 94 11.864 -3.927 -7.190 1.00 0.00 H new ATOM 0 HB3 SER A 94 12.471 -3.761 -5.554 1.00 0.00 H new ATOM 0 HG SER A 94 14.353 -3.209 -6.298 1.00 0.00 H new ATOM 1470 N GLY A 95 14.747 -5.790 -5.019 1.00 0.00 N ATOM 1471 CA GLY A 95 16.124 -6.224 -4.810 1.00 0.00 C ATOM 1472 C GLY A 95 16.661 -5.200 -3.764 1.00 0.00 C ATOM 1473 O GLY A 95 17.043 -4.114 -4.145 1.00 0.00 O ATOM 0 H GLY A 95 14.304 -5.247 -4.278 1.00 0.00 H new ATOM 0 HA2 GLY A 95 16.172 -7.246 -4.435 1.00 0.00 H new ATOM 0 HA3 GLY A 95 16.701 -6.196 -5.735 1.00 0.00 H new ATOM 1477 N ASN A 96 16.595 -5.760 -2.550 1.00 0.00 N ATOM 1478 CA ASN A 96 17.003 -5.129 -1.321 1.00 0.00 C ATOM 1479 C ASN A 96 15.880 -4.161 -0.860 1.00 0.00 C ATOM 1480 O ASN A 96 16.135 -3.318 0.005 1.00 0.00 O ATOM 1481 CB ASN A 96 18.357 -4.467 -1.490 1.00 0.00 C ATOM 1482 CG ASN A 96 19.377 -5.598 -1.680 1.00 0.00 C ATOM 1483 OD1 ASN A 96 19.257 -6.463 -2.505 1.00 0.00 O ATOM 1484 ND2 ASN A 96 20.385 -5.432 -0.790 1.00 0.00 N ATOM 0 H ASN A 96 16.239 -6.705 -2.408 1.00 0.00 H new ATOM 0 HA ASN A 96 17.138 -5.866 -0.530 1.00 0.00 H new ATOM 0 HB2 ASN A 96 18.356 -3.797 -2.350 1.00 0.00 H new ATOM 0 HB3 ASN A 96 18.605 -3.864 -0.617 1.00 0.00 H new ATOM 0 HD21 ASN A 96 21.163 -6.091 -0.772 1.00 0.00 H new ATOM 0 HD22 ASN A 96 20.365 -4.648 -0.138 1.00 0.00 H new ATOM 1491 N GLU A 97 14.727 -4.359 -1.465 1.00 0.00 N ATOM 1492 CA GLU A 97 13.537 -3.612 -1.191 1.00 0.00 C ATOM 1493 C GLU A 97 12.423 -4.045 -2.199 1.00 0.00 C ATOM 1494 O GLU A 97 12.695 -4.754 -3.128 1.00 0.00 O ATOM 1495 CB GLU A 97 13.663 -2.117 -1.033 1.00 0.00 C ATOM 1496 CG GLU A 97 14.557 -1.459 -2.087 1.00 0.00 C ATOM 1497 CD GLU A 97 14.210 -1.896 -3.508 1.00 0.00 C ATOM 1498 OE1 GLU A 97 13.029 -1.801 -3.834 1.00 0.00 O ATOM 1499 OE2 GLU A 97 15.064 -2.307 -4.276 1.00 0.00 O ATOM 0 H GLU A 97 14.598 -5.071 -2.184 1.00 0.00 H new ATOM 0 HA GLU A 97 13.255 -3.880 -0.173 1.00 0.00 H new ATOM 0 HB2 GLU A 97 12.670 -1.671 -1.082 1.00 0.00 H new ATOM 0 HB3 GLU A 97 14.062 -1.898 -0.043 1.00 0.00 H new ATOM 0 HG2 GLU A 97 14.464 -0.376 -2.011 1.00 0.00 H new ATOM 0 HG3 GLU A 97 15.598 -1.705 -1.879 1.00 0.00 H new ATOM 1506 N LEU A 98 11.273 -3.486 -1.792 1.00 0.00 N ATOM 1507 CA LEU A 98 10.002 -3.629 -2.441 1.00 0.00 C ATOM 1508 C LEU A 98 9.421 -2.252 -2.808 1.00 0.00 C ATOM 1509 O LEU A 98 9.798 -1.250 -2.224 1.00 0.00 O ATOM 1510 CB LEU A 98 9.080 -4.370 -1.433 1.00 0.00 C ATOM 1511 CG LEU A 98 7.833 -4.981 -2.052 1.00 0.00 C ATOM 1512 CD1 LEU A 98 8.118 -6.010 -3.137 1.00 0.00 C ATOM 1513 CD2 LEU A 98 7.042 -5.711 -0.938 1.00 0.00 C ATOM 0 H LEU A 98 11.224 -2.898 -0.960 1.00 0.00 H new ATOM 0 HA LEU A 98 10.093 -4.188 -3.372 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.654 -5.160 -0.948 1.00 0.00 H new ATOM 0 HB3 LEU A 98 8.778 -3.670 -0.654 1.00 0.00 H new ATOM 0 HG LEU A 98 7.284 -4.158 -2.509 1.00 0.00 H new ATOM 0 HD11 LEU A 98 7.177 -6.398 -3.527 1.00 0.00 H new ATOM 0 HD12 LEU A 98 8.680 -5.541 -3.945 1.00 0.00 H new ATOM 0 HD13 LEU A 98 8.702 -6.829 -2.717 1.00 0.00 H new ATOM 0 HD21 LEU A 98 6.143 -6.157 -1.363 1.00 0.00 H new ATOM 0 HD22 LEU A 98 7.664 -6.493 -0.503 1.00 0.00 H new ATOM 0 HD23 LEU A 98 6.762 -4.997 -0.163 1.00 0.00 H new ATOM 1525 N ILE A 99 8.508 -2.393 -3.801 1.00 0.00 N ATOM 1526 CA ILE A 99 7.775 -1.309 -4.377 1.00 0.00 C ATOM 1527 C ILE A 99 6.326 -1.536 -3.878 1.00 0.00 C ATOM 1528 O ILE A 99 6.107 -0.963 -2.845 1.00 0.00 O ATOM 1529 CB ILE A 99 7.983 -1.485 -5.888 1.00 0.00 C ATOM 1530 CG1 ILE A 99 9.312 -0.746 -6.208 1.00 0.00 C ATOM 1531 CG2 ILE A 99 6.904 -0.701 -6.628 1.00 0.00 C ATOM 1532 CD1 ILE A 99 9.873 -1.038 -7.575 1.00 0.00 C ATOM 0 H ILE A 99 8.278 -3.298 -4.212 1.00 0.00 H new ATOM 0 HA ILE A 99 8.062 -0.290 -4.118 1.00 0.00 H new ATOM 0 HB ILE A 99 7.971 -2.538 -6.168 1.00 0.00 H new ATOM 0 HG12 ILE A 99 9.147 0.328 -6.118 1.00 0.00 H new ATOM 0 HG13 ILE A 99 10.055 -1.018 -5.458 1.00 0.00 H new ATOM 0 HG21 ILE A 99 7.042 -0.818 -7.703 1.00 0.00 H new ATOM 0 HG22 ILE A 99 5.921 -1.078 -6.345 1.00 0.00 H new ATOM 0 HG23 ILE A 99 6.977 0.355 -6.366 1.00 0.00 H new ATOM 0 HD11 ILE A 99 10.800 -0.482 -7.714 1.00 0.00 H new ATOM 0 HD12 ILE A 99 10.074 -2.106 -7.666 1.00 0.00 H new ATOM 0 HD13 ILE A 99 9.152 -0.739 -8.336 1.00 0.00 H new ATOM 1544 N GLN A 100 5.579 -2.313 -4.670 1.00 0.00 N ATOM 1545 CA GLN A 100 4.193 -2.670 -4.410 1.00 0.00 C ATOM 1546 C GLN A 100 3.374 -1.942 -5.485 1.00 0.00 C ATOM 1547 O GLN A 100 2.973 -0.835 -5.274 1.00 0.00 O ATOM 1548 CB GLN A 100 3.672 -2.323 -3.022 1.00 0.00 C ATOM 1549 CG GLN A 100 4.335 -2.991 -1.827 1.00 0.00 C ATOM 1550 CD GLN A 100 3.653 -4.358 -1.656 1.00 0.00 C ATOM 1551 OE1 GLN A 100 4.086 -5.343 -2.214 1.00 0.00 O ATOM 1552 NE2 GLN A 100 2.568 -4.330 -0.845 1.00 0.00 N ATOM 0 H GLN A 100 5.939 -2.719 -5.533 1.00 0.00 H new ATOM 0 HA GLN A 100 4.105 -3.756 -4.447 1.00 0.00 H new ATOM 0 HB2 GLN A 100 3.758 -1.244 -2.892 1.00 0.00 H new ATOM 0 HB3 GLN A 100 2.609 -2.564 -2.993 1.00 0.00 H new ATOM 0 HG2 GLN A 100 5.406 -3.110 -1.994 1.00 0.00 H new ATOM 0 HG3 GLN A 100 4.218 -2.384 -0.929 1.00 0.00 H new ATOM 0 HE21 GLN A 100 2.274 -3.452 -0.416 1.00 0.00 H new ATOM 0 HE22 GLN A 100 2.045 -5.187 -0.663 1.00 0.00 H new ATOM 1561 N THR A 101 3.267 -2.760 -6.541 1.00 0.00 N ATOM 1562 CA THR A 101 2.547 -2.354 -7.703 1.00 0.00 C ATOM 1563 C THR A 101 1.066 -2.684 -7.608 1.00 0.00 C ATOM 1564 O THR A 101 0.570 -3.725 -7.928 1.00 0.00 O ATOM 1565 CB THR A 101 2.985 -2.947 -9.046 1.00 0.00 C ATOM 1566 OG1 THR A 101 4.370 -3.006 -9.199 1.00 0.00 O ATOM 1567 CG2 THR A 101 2.353 -2.322 -10.307 1.00 0.00 C ATOM 0 H THR A 101 3.674 -3.694 -6.592 1.00 0.00 H new ATOM 0 HA THR A 101 2.767 -1.286 -7.704 1.00 0.00 H new ATOM 0 HB THR A 101 2.584 -3.958 -8.978 1.00 0.00 H new ATOM 0 HG1 THR A 101 4.586 -3.394 -10.072 1.00 0.00 H new ATOM 0 HG21 THR A 101 2.739 -2.824 -11.194 1.00 0.00 H new ATOM 0 HG22 THR A 101 1.270 -2.438 -10.267 1.00 0.00 H new ATOM 0 HG23 THR A 101 2.603 -1.262 -10.352 1.00 0.00 H new ATOM 1575 N TYR A 102 0.462 -1.619 -7.104 1.00 0.00 N ATOM 1576 CA TYR A 102 -0.983 -1.836 -6.967 1.00 0.00 C ATOM 1577 C TYR A 102 -1.548 -1.860 -8.390 1.00 0.00 C ATOM 1578 O TYR A 102 -1.524 -0.850 -9.057 1.00 0.00 O ATOM 1579 CB TYR A 102 -1.562 -0.679 -6.181 1.00 0.00 C ATOM 1580 CG TYR A 102 -0.865 -0.451 -4.880 1.00 0.00 C ATOM 1581 CD1 TYR A 102 -1.277 -1.259 -3.830 1.00 0.00 C ATOM 1582 CD2 TYR A 102 0.121 0.459 -4.644 1.00 0.00 C ATOM 1583 CE1 TYR A 102 -0.672 -1.107 -2.601 1.00 0.00 C ATOM 1584 CE2 TYR A 102 0.657 0.532 -3.377 1.00 0.00 C ATOM 1585 CZ TYR A 102 0.197 -0.308 -2.386 1.00 0.00 C ATOM 1586 OH TYR A 102 0.746 -0.222 -1.130 1.00 0.00 O ATOM 0 H TYR A 102 0.862 -0.725 -6.819 1.00 0.00 H new ATOM 0 HA TYR A 102 -1.224 -2.763 -6.446 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -1.502 0.228 -6.783 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -2.619 -0.868 -5.993 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -2.057 -1.993 -3.973 1.00 0.00 H new ATOM 0 HD2 TYR A 102 0.474 1.108 -5.432 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -0.997 -1.740 -1.789 1.00 0.00 H new ATOM 0 HE2 TYR A 102 1.437 1.247 -3.161 1.00 0.00 H new ATOM 0 HH TYR A 102 1.437 0.473 -1.122 1.00 0.00 H new ATOM 1596 N THR A 103 -2.026 -3.095 -8.716 1.00 0.00 N ATOM 1597 CA THR A 103 -2.615 -3.346 -10.025 1.00 0.00 C ATOM 1598 C THR A 103 -4.079 -2.991 -9.799 1.00 0.00 C ATOM 1599 O THR A 103 -4.807 -3.581 -9.032 1.00 0.00 O ATOM 1600 CB THR A 103 -2.434 -4.759 -10.551 1.00 0.00 C ATOM 1601 OG1 THR A 103 -1.239 -4.990 -11.292 1.00 0.00 O ATOM 1602 CG2 THR A 103 -3.538 -5.342 -11.451 1.00 0.00 C ATOM 0 H THR A 103 -2.008 -3.902 -8.093 1.00 0.00 H new ATOM 0 HA THR A 103 -2.128 -2.761 -10.805 1.00 0.00 H new ATOM 0 HB THR A 103 -2.437 -5.257 -9.581 1.00 0.00 H new ATOM 0 HG1 THR A 103 -1.284 -5.871 -11.719 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.268 -6.356 -11.747 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.480 -5.363 -10.904 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.648 -4.721 -12.340 1.00 0.00 H new ATOM 1610 N TYR A 104 -4.420 -1.928 -10.570 1.00 0.00 N ATOM 1611 CA TYR A 104 -5.781 -1.416 -10.506 1.00 0.00 C ATOM 1612 C TYR A 104 -6.417 -1.201 -11.857 1.00 0.00 C ATOM 1613 O TYR A 104 -5.972 -0.415 -12.689 1.00 0.00 O ATOM 1614 CB TYR A 104 -5.717 -0.163 -9.598 1.00 0.00 C ATOM 1615 CG TYR A 104 -6.907 0.723 -9.575 1.00 0.00 C ATOM 1616 CD1 TYR A 104 -7.320 1.449 -10.672 1.00 0.00 C ATOM 1617 CD2 TYR A 104 -7.700 0.905 -8.460 1.00 0.00 C ATOM 1618 CE1 TYR A 104 -8.432 2.270 -10.644 1.00 0.00 C ATOM 1619 CE2 TYR A 104 -8.793 1.734 -8.485 1.00 0.00 C ATOM 1620 CZ TYR A 104 -9.089 2.396 -9.656 1.00 0.00 C ATOM 1621 OH TYR A 104 -10.172 3.236 -9.724 1.00 0.00 O ATOM 0 H TYR A 104 -3.794 -1.439 -11.210 1.00 0.00 H new ATOM 0 HA TYR A 104 -6.460 -2.150 -10.073 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -5.524 -0.495 -8.578 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -4.858 0.433 -9.907 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -6.753 1.373 -11.588 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -7.455 0.383 -7.547 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -8.712 2.810 -11.537 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -9.407 1.865 -7.606 1.00 0.00 H new ATOM 0 HH TYR A 104 -10.627 3.254 -8.856 1.00 0.00 H new ATOM 1631 N GLU A 105 -7.511 -1.943 -12.084 1.00 0.00 N ATOM 1632 CA GLU A 105 -8.297 -1.915 -13.289 1.00 0.00 C ATOM 1633 C GLU A 105 -7.547 -1.722 -14.592 1.00 0.00 C ATOM 1634 O GLU A 105 -8.132 -1.128 -15.509 1.00 0.00 O ATOM 1635 CB GLU A 105 -9.291 -0.749 -13.033 1.00 0.00 C ATOM 1636 CG GLU A 105 -10.612 -1.153 -13.746 1.00 0.00 C ATOM 1637 CD GLU A 105 -11.404 0.033 -14.215 1.00 0.00 C ATOM 1638 OE1 GLU A 105 -11.004 1.157 -13.907 1.00 0.00 O ATOM 1639 OE2 GLU A 105 -12.416 -0.165 -14.886 1.00 0.00 O ATOM 0 H GLU A 105 -7.873 -2.601 -11.393 1.00 0.00 H new ATOM 0 HA GLU A 105 -8.753 -2.892 -13.451 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -9.453 -0.601 -11.965 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -8.904 0.189 -13.430 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -10.379 -1.790 -14.600 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -11.222 -1.745 -13.064 1.00 0.00 H new ATOM 1646 N GLY A 106 -6.291 -2.207 -14.665 1.00 0.00 N ATOM 1647 CA GLY A 106 -5.572 -2.024 -15.898 1.00 0.00 C ATOM 1648 C GLY A 106 -4.288 -1.235 -15.756 1.00 0.00 C ATOM 1649 O GLY A 106 -3.423 -1.332 -16.635 1.00 0.00 O ATOM 0 H GLY A 106 -5.794 -2.698 -13.921 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -5.340 -3.002 -16.319 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -6.220 -1.516 -16.612 1.00 0.00 H new ATOM 1653 N VAL A 107 -4.169 -0.469 -14.664 1.00 0.00 N ATOM 1654 CA VAL A 107 -3.018 0.350 -14.362 1.00 0.00 C ATOM 1655 C VAL A 107 -1.997 -0.285 -13.465 1.00 0.00 C ATOM 1656 O VAL A 107 -2.372 -1.265 -12.813 1.00 0.00 O ATOM 1657 CB VAL A 107 -3.563 1.649 -13.719 1.00 0.00 C ATOM 1658 CG1 VAL A 107 -3.759 1.590 -12.225 1.00 0.00 C ATOM 1659 CG2 VAL A 107 -2.708 2.868 -14.072 1.00 0.00 C ATOM 0 H VAL A 107 -4.899 -0.410 -13.954 1.00 0.00 H new ATOM 0 HA VAL A 107 -2.477 0.525 -15.292 1.00 0.00 H new ATOM 0 HB VAL A 107 -4.556 1.752 -14.157 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -4.143 2.546 -11.870 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -4.471 0.801 -11.982 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.805 1.380 -11.741 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -3.128 3.756 -13.599 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.690 2.714 -13.715 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -2.697 3.004 -15.153 1.00 0.00 H new ATOM 1669 N GLU A 108 -0.753 0.272 -13.447 1.00 0.00 N ATOM 1670 CA GLU A 108 0.255 -0.338 -12.571 1.00 0.00 C ATOM 1671 C GLU A 108 0.769 0.814 -11.677 1.00 0.00 C ATOM 1672 O GLU A 108 1.790 1.393 -12.046 1.00 0.00 O ATOM 1673 CB GLU A 108 1.311 -1.014 -13.402 1.00 0.00 C ATOM 1674 CG GLU A 108 0.877 -2.466 -13.687 1.00 0.00 C ATOM 1675 CD GLU A 108 1.050 -2.773 -15.159 1.00 0.00 C ATOM 1676 OE1 GLU A 108 0.238 -2.235 -15.906 1.00 0.00 O ATOM 1677 OE2 GLU A 108 1.965 -3.510 -15.489 1.00 0.00 O ATOM 0 H GLU A 108 -0.450 1.081 -13.989 1.00 0.00 H new ATOM 0 HA GLU A 108 -0.134 -1.132 -11.933 1.00 0.00 H new ATOM 0 HB2 GLU A 108 1.455 -0.474 -14.338 1.00 0.00 H new ATOM 0 HB3 GLU A 108 2.266 -1.003 -12.877 1.00 0.00 H new ATOM 0 HG2 GLU A 108 1.472 -3.157 -13.090 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -0.164 -2.608 -13.396 1.00 0.00 H new ATOM 1684 N ALA A 109 0.014 1.036 -10.583 1.00 0.00 N ATOM 1685 CA ALA A 109 0.463 2.099 -9.729 1.00 0.00 C ATOM 1686 C ALA A 109 1.449 1.564 -8.675 1.00 0.00 C ATOM 1687 O ALA A 109 0.966 0.948 -7.766 1.00 0.00 O ATOM 1688 CB ALA A 109 -0.754 2.409 -8.824 1.00 0.00 C ATOM 0 H ALA A 109 -0.829 0.535 -10.304 1.00 0.00 H new ATOM 0 HA ALA A 109 0.877 2.902 -10.339 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -0.499 3.214 -8.135 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -1.599 2.713 -9.442 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -1.022 1.518 -8.257 1.00 0.00 H new ATOM 1694 N LYS A 110 2.667 1.922 -9.019 1.00 0.00 N ATOM 1695 CA LYS A 110 3.693 1.480 -8.108 1.00 0.00 C ATOM 1696 C LYS A 110 4.060 2.585 -7.154 1.00 0.00 C ATOM 1697 O LYS A 110 4.241 3.723 -7.568 1.00 0.00 O ATOM 1698 CB LYS A 110 4.999 1.193 -8.905 1.00 0.00 C ATOM 1699 CG LYS A 110 4.637 0.069 -9.876 1.00 0.00 C ATOM 1700 CD LYS A 110 5.871 -0.564 -10.559 1.00 0.00 C ATOM 1701 CE LYS A 110 5.679 -0.746 -12.059 1.00 0.00 C ATOM 1702 NZ LYS A 110 6.357 0.272 -12.897 1.00 0.00 N ATOM 0 H LYS A 110 2.953 2.462 -9.836 1.00 0.00 H new ATOM 0 HA LYS A 110 3.313 0.602 -7.585 1.00 0.00 H new ATOM 0 HB2 LYS A 110 5.338 2.081 -9.439 1.00 0.00 H new ATOM 0 HB3 LYS A 110 5.809 0.893 -8.240 1.00 0.00 H new ATOM 0 HG2 LYS A 110 4.090 -0.705 -9.338 1.00 0.00 H new ATOM 0 HG3 LYS A 110 3.966 0.460 -10.641 1.00 0.00 H new ATOM 0 HD2 LYS A 110 6.743 0.065 -10.381 1.00 0.00 H new ATOM 0 HD3 LYS A 110 6.078 -1.532 -10.103 1.00 0.00 H new ATOM 0 HE2 LYS A 110 6.046 -1.733 -12.342 1.00 0.00 H new ATOM 0 HE3 LYS A 110 4.612 -0.727 -12.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 6.174 0.073 -13.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 5.992 1.216 -12.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 7.381 0.242 -12.719 1.00 0.00 H new ATOM 1716 N ARG A 111 4.145 2.162 -5.899 1.00 0.00 N ATOM 1717 CA ARG A 111 4.498 3.153 -4.861 1.00 0.00 C ATOM 1718 C ARG A 111 6.020 2.836 -4.713 1.00 0.00 C ATOM 1719 O ARG A 111 6.346 1.656 -4.765 1.00 0.00 O ATOM 1720 CB ARG A 111 3.705 2.974 -3.598 1.00 0.00 C ATOM 1721 CG ARG A 111 2.469 3.882 -3.541 1.00 0.00 C ATOM 1722 CD ARG A 111 1.713 3.657 -2.245 1.00 0.00 C ATOM 1723 NE ARG A 111 1.295 4.970 -1.761 1.00 0.00 N ATOM 1724 CZ ARG A 111 0.752 5.157 -0.550 1.00 0.00 C ATOM 1725 NH1 ARG A 111 0.561 4.135 0.281 1.00 0.00 N ATOM 1726 NH2 ARG A 111 0.396 6.386 -0.165 1.00 0.00 N ATOM 0 H ARG A 111 3.988 1.207 -5.577 1.00 0.00 H new ATOM 0 HA ARG A 111 4.280 4.193 -5.105 1.00 0.00 H new ATOM 0 HB2 ARG A 111 3.391 1.934 -3.516 1.00 0.00 H new ATOM 0 HB3 ARG A 111 4.344 3.183 -2.740 1.00 0.00 H new ATOM 0 HG2 ARG A 111 2.772 4.926 -3.617 1.00 0.00 H new ATOM 0 HG3 ARG A 111 1.818 3.676 -4.391 1.00 0.00 H new ATOM 0 HD2 ARG A 111 0.849 3.014 -2.409 1.00 0.00 H new ATOM 0 HD3 ARG A 111 2.346 3.159 -1.511 1.00 0.00 H new ATOM 0 HE ARG A 111 1.422 5.778 -2.370 1.00 0.00 H new ATOM 0 HH11 ARG A 111 0.829 3.192 -0.000 1.00 0.00 H new ATOM 0 HH12 ARG A 111 0.146 4.295 1.199 1.00 0.00 H new ATOM 0 HH21 ARG A 111 0.538 7.178 -0.792 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -0.018 6.532 0.756 1.00 0.00 H new ATOM 1740 N ILE A 112 6.778 3.945 -4.542 1.00 0.00 N ATOM 1741 CA ILE A 112 8.196 3.742 -4.401 1.00 0.00 C ATOM 1742 C ILE A 112 8.734 4.092 -3.017 1.00 0.00 C ATOM 1743 O ILE A 112 8.873 5.233 -2.638 1.00 0.00 O ATOM 1744 CB ILE A 112 8.947 4.397 -5.562 1.00 0.00 C ATOM 1745 CG1 ILE A 112 8.403 3.746 -6.861 1.00 0.00 C ATOM 1746 CG2 ILE A 112 10.409 4.075 -5.634 1.00 0.00 C ATOM 1747 CD1 ILE A 112 8.448 4.687 -8.066 1.00 0.00 C ATOM 0 H ILE A 112 6.445 4.908 -4.503 1.00 0.00 H new ATOM 0 HA ILE A 112 8.386 2.671 -4.469 1.00 0.00 H new ATOM 0 HB ILE A 112 8.812 5.471 -5.434 1.00 0.00 H new ATOM 0 HG12 ILE A 112 8.985 2.852 -7.084 1.00 0.00 H new ATOM 0 HG13 ILE A 112 7.375 3.424 -6.696 1.00 0.00 H new ATOM 0 HG21 ILE A 112 10.852 4.585 -6.489 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.900 4.406 -4.719 1.00 0.00 H new ATOM 0 HG23 ILE A 112 10.539 2.999 -5.746 1.00 0.00 H new ATOM 0 HD11 ILE A 112 8.054 4.174 -8.943 1.00 0.00 H new ATOM 0 HD12 ILE A 112 7.843 5.570 -7.861 1.00 0.00 H new ATOM 0 HD13 ILE A 112 9.478 4.988 -8.254 1.00 0.00 H new ATOM 1759 N PHE A 113 8.998 2.956 -2.376 1.00 0.00 N ATOM 1760 CA PHE A 113 9.532 3.027 -1.045 1.00 0.00 C ATOM 1761 C PHE A 113 10.633 1.949 -0.999 1.00 0.00 C ATOM 1762 O PHE A 113 11.098 1.656 -2.088 1.00 0.00 O ATOM 1763 CB PHE A 113 8.585 2.758 0.096 1.00 0.00 C ATOM 1764 CG PHE A 113 7.269 3.448 0.078 1.00 0.00 C ATOM 1765 CD1 PHE A 113 7.130 4.826 0.170 1.00 0.00 C ATOM 1766 CD2 PHE A 113 6.053 2.759 -0.024 1.00 0.00 C ATOM 1767 CE1 PHE A 113 5.883 5.415 0.155 1.00 0.00 C ATOM 1768 CE2 PHE A 113 4.856 3.458 -0.027 1.00 0.00 C ATOM 1769 CZ PHE A 113 4.742 4.652 0.050 1.00 0.00 C ATOM 0 H PHE A 113 8.854 2.017 -2.749 1.00 0.00 H new ATOM 0 HA PHE A 113 9.850 4.058 -0.889 1.00 0.00 H new ATOM 0 HB2 PHE A 113 8.400 1.684 0.133 1.00 0.00 H new ATOM 0 HB3 PHE A 113 9.092 3.026 1.023 1.00 0.00 H new ATOM 0 HD1 PHE A 113 8.011 5.446 0.255 1.00 0.00 H new ATOM 0 HD2 PHE A 113 6.048 1.682 -0.100 1.00 0.00 H new ATOM 0 HE1 PHE A 113 5.801 6.489 0.227 1.00 0.00 H new ATOM 0 HE2 PHE A 113 3.947 2.880 -0.105 1.00 0.00 H new ATOM 0 HZ PHE A 113 3.767 5.116 0.037 1.00 0.00 H new ATOM 1779 N LYS A 114 10.910 1.503 0.206 1.00 0.00 N ATOM 1780 CA LYS A 114 11.933 0.491 0.365 1.00 0.00 C ATOM 1781 C LYS A 114 11.921 -0.072 1.815 1.00 0.00 C ATOM 1782 O LYS A 114 10.858 -0.294 2.373 1.00 0.00 O ATOM 1783 CB LYS A 114 13.269 1.032 -0.089 1.00 0.00 C ATOM 1784 CG LYS A 114 13.933 2.186 0.668 1.00 0.00 C ATOM 1785 CD LYS A 114 13.097 2.777 1.798 1.00 0.00 C ATOM 1786 CE LYS A 114 12.680 4.257 1.538 1.00 0.00 C ATOM 1787 NZ LYS A 114 13.639 5.283 1.817 1.00 0.00 N ATOM 0 H LYS A 114 10.458 1.812 1.067 1.00 0.00 H new ATOM 0 HA LYS A 114 11.724 -0.364 -0.277 1.00 0.00 H new ATOM 0 HB2 LYS A 114 13.972 0.199 -0.088 1.00 0.00 H new ATOM 0 HB3 LYS A 114 13.153 1.350 -1.125 1.00 0.00 H new ATOM 0 HG2 LYS A 114 14.879 1.834 1.081 1.00 0.00 H new ATOM 0 HG3 LYS A 114 14.170 2.978 -0.042 1.00 0.00 H new ATOM 0 HD2 LYS A 114 12.201 2.172 1.935 1.00 0.00 H new ATOM 0 HD3 LYS A 114 13.663 2.723 2.728 1.00 0.00 H new ATOM 0 HE2 LYS A 114 12.393 4.344 0.490 1.00 0.00 H new ATOM 0 HE3 LYS A 114 11.789 4.462 2.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 13.227 6.212 1.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 13.901 5.249 2.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 14.486 5.134 1.233 1.00 0.00 H new ATOM 1801 N LYS A 115 13.131 -0.252 2.297 1.00 0.00 N ATOM 1802 CA LYS A 115 13.467 -0.761 3.620 1.00 0.00 C ATOM 1803 C LYS A 115 14.573 0.079 4.216 1.00 0.00 C ATOM 1804 O LYS A 115 15.219 0.858 3.567 1.00 0.00 O ATOM 1805 CB LYS A 115 13.890 -2.205 3.358 1.00 0.00 C ATOM 1806 CG LYS A 115 13.835 -3.052 4.648 1.00 0.00 C ATOM 1807 CD LYS A 115 14.552 -4.403 4.390 1.00 0.00 C ATOM 1808 CE LYS A 115 13.883 -5.623 4.988 1.00 0.00 C ATOM 1809 NZ LYS A 115 14.772 -6.747 5.138 1.00 0.00 N ATOM 0 H LYS A 115 13.962 -0.035 1.746 1.00 0.00 H new ATOM 0 HA LYS A 115 12.650 -0.719 4.340 1.00 0.00 H new ATOM 0 HB2 LYS A 115 13.238 -2.645 2.604 1.00 0.00 H new ATOM 0 HB3 LYS A 115 14.902 -2.221 2.953 1.00 0.00 H new ATOM 0 HG2 LYS A 115 14.316 -2.520 5.469 1.00 0.00 H new ATOM 0 HG3 LYS A 115 12.800 -3.224 4.942 1.00 0.00 H new ATOM 0 HD2 LYS A 115 14.637 -4.549 3.313 1.00 0.00 H new ATOM 0 HD3 LYS A 115 15.566 -4.337 4.784 1.00 0.00 H new ATOM 0 HE2 LYS A 115 13.472 -5.362 5.963 1.00 0.00 H new ATOM 0 HE3 LYS A 115 13.044 -5.915 4.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 14.253 -7.547 5.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 15.146 -7.021 4.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 15.560 -6.485 5.764 1.00 0.00 H new ATOM 1823 N GLU A 116 14.757 -0.129 5.530 1.00 0.00 N ATOM 1824 CA GLU A 116 15.734 0.528 6.348 1.00 0.00 C ATOM 1825 C GLU A 116 16.796 -0.545 6.725 1.00 0.00 C ATOM 1826 O GLU A 116 17.962 -0.203 6.823 1.00 0.00 O ATOM 1827 CB GLU A 116 14.945 0.997 7.584 1.00 0.00 C ATOM 1828 CG GLU A 116 15.712 1.216 8.872 1.00 0.00 C ATOM 1829 CD GLU A 116 16.260 2.655 8.956 1.00 0.00 C ATOM 1830 OE1 GLU A 116 16.492 3.234 7.899 1.00 0.00 O ATOM 1831 OE2 GLU A 116 16.424 3.136 10.081 1.00 0.00 O ATOM 1832 OXT GLU A 116 16.432 -1.707 6.924 1.00 0.00 O ATOM 0 H GLU A 116 14.191 -0.795 6.055 1.00 0.00 H new ATOM 0 HA GLU A 116 16.243 1.368 5.875 1.00 0.00 H new ATOM 0 HB2 GLU A 116 14.447 1.932 7.328 1.00 0.00 H new ATOM 0 HB3 GLU A 116 14.164 0.263 7.781 1.00 0.00 H new ATOM 0 HG2 GLU A 116 15.061 1.022 9.724 1.00 0.00 H new ATOM 0 HG3 GLU A 116 16.537 0.506 8.933 1.00 0.00 H new