USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 573 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 THR OG1 : rot 135:sc= 1.15 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.935 USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.293 USER MOD Single : A 25 ASN : amide:sc= 1.01 K(o=1,f=-0.25) USER MOD Single : A 27 LYS NZ :NH3+ -110:sc= 1.23 (180deg=0.256) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 1.15 (180deg=1.15) USER MOD Single : A 31 GLN : amide:sc= 0.813 K(o=0.81,f=-0.083) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.018 X(o=-0.018,f=-0.17) USER MOD Single : A 41 ASN : amide:sc= -0.545 X(o=-0.55,f=-0.77) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.305 K(o=-0.31,f=-1.8!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 130:sc= 0.368 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0.962 K(o=0.96,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 78:sc= 1.37 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.158 K(o=0.16,f=-0.86) USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 -4.069 -13.438 5.379 1.00 0.00 N ATOM 21 CA GLN A 2 -2.777 -12.805 5.124 1.00 0.00 C ATOM 22 C GLN A 2 -2.605 -12.366 3.666 1.00 0.00 C ATOM 23 O GLN A 2 -3.114 -13.017 2.749 1.00 0.00 O ATOM 24 CB GLN A 2 -1.625 -13.701 5.607 1.00 0.00 C ATOM 25 CG GLN A 2 -1.500 -13.655 7.139 1.00 0.00 C ATOM 26 CD GLN A 2 -1.097 -14.998 7.732 1.00 0.00 C ATOM 27 OE1 GLN A 2 -1.931 -15.855 7.985 1.00 0.00 O ATOM 28 NE2 GLN A 2 0.180 -15.288 7.837 1.00 0.00 N ATOM 0 HA GLN A 2 -2.748 -11.885 5.708 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -1.797 -14.727 5.283 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -0.690 -13.375 5.152 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -0.762 -12.902 7.418 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -2.452 -13.343 7.569 1.00 0.00 H new ATOM 0 HE21 GLN A 2 0.883 -14.579 7.628 1.00 0.00 H new ATOM 0 HE22 GLN A 2 0.469 -16.222 8.128 1.00 0.00 H new ATOM 37 N ILE A 3 -1.850 -11.286 3.466 1.00 0.00 N ATOM 38 CA ILE A 3 -1.387 -10.767 2.169 1.00 0.00 C ATOM 39 C ILE A 3 0.072 -10.300 2.309 1.00 0.00 C ATOM 40 O ILE A 3 0.525 -10.003 3.420 1.00 0.00 O ATOM 41 CB ILE A 3 -2.295 -9.627 1.642 1.00 0.00 C ATOM 42 CG1 ILE A 3 -2.346 -8.416 2.606 1.00 0.00 C ATOM 43 CG2 ILE A 3 -3.702 -10.152 1.307 1.00 0.00 C ATOM 44 CD1 ILE A 3 -3.030 -7.171 2.025 1.00 0.00 C ATOM 0 H ILE A 3 -1.524 -10.714 4.245 1.00 0.00 H new ATOM 0 HA ILE A 3 -1.443 -11.568 1.432 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.847 -9.261 0.718 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -2.870 -8.712 3.515 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.328 -8.155 2.896 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.318 -9.332 0.939 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.630 -10.923 0.540 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.156 -10.574 2.204 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.021 -6.372 2.766 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.495 -6.845 1.133 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.060 -7.411 1.762 1.00 0.00 H new ATOM 56 N PHE A 4 0.795 -10.226 1.189 1.00 0.00 N ATOM 57 CA PHE A 4 2.229 -9.933 1.161 1.00 0.00 C ATOM 58 C PHE A 4 2.598 -8.691 0.342 1.00 0.00 C ATOM 59 O PHE A 4 2.029 -8.488 -0.730 1.00 0.00 O ATOM 60 CB PHE A 4 2.997 -11.172 0.678 1.00 0.00 C ATOM 61 CG PHE A 4 2.883 -12.376 1.594 1.00 0.00 C ATOM 62 CD1 PHE A 4 3.452 -12.350 2.882 1.00 0.00 C ATOM 63 CD2 PHE A 4 2.196 -13.527 1.155 1.00 0.00 C ATOM 64 CE1 PHE A 4 3.345 -13.473 3.721 1.00 0.00 C ATOM 65 CE2 PHE A 4 2.086 -14.646 1.998 1.00 0.00 C ATOM 66 CZ PHE A 4 2.658 -14.619 3.282 1.00 0.00 C ATOM 0 H PHE A 4 0.394 -10.370 0.262 1.00 0.00 H new ATOM 0 HA PHE A 4 2.523 -9.691 2.182 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.632 -11.448 -0.312 1.00 0.00 H new ATOM 0 HB3 PHE A 4 4.050 -10.912 0.569 1.00 0.00 H new ATOM 0 HD1 PHE A 4 3.971 -11.467 3.225 1.00 0.00 H new ATOM 0 HD2 PHE A 4 1.754 -13.548 0.170 1.00 0.00 H new ATOM 0 HE1 PHE A 4 3.791 -13.456 4.704 1.00 0.00 H new ATOM 0 HE2 PHE A 4 1.562 -15.527 1.659 1.00 0.00 H new ATOM 0 HZ PHE A 4 2.570 -15.478 3.931 1.00 0.00 H new ATOM 76 N VAL A 5 3.578 -7.896 0.793 1.00 0.00 N ATOM 77 CA VAL A 5 4.159 -6.775 0.025 1.00 0.00 C ATOM 78 C VAL A 5 5.631 -6.993 -0.320 1.00 0.00 C ATOM 79 O VAL A 5 6.418 -7.356 0.552 1.00 0.00 O ATOM 80 CB VAL A 5 3.915 -5.389 0.661 1.00 0.00 C ATOM 81 CG1 VAL A 5 4.181 -4.268 -0.352 1.00 0.00 C ATOM 82 CG2 VAL A 5 2.491 -5.225 1.211 1.00 0.00 C ATOM 0 H VAL A 5 3.999 -8.012 1.715 1.00 0.00 H new ATOM 0 HA VAL A 5 3.609 -6.770 -0.916 1.00 0.00 H new ATOM 0 HB VAL A 5 4.612 -5.319 1.496 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.002 -3.302 0.119 1.00 0.00 H new ATOM 0 HG12 VAL A 5 5.216 -4.321 -0.690 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.514 -4.384 -1.206 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.381 -4.231 1.645 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.772 -5.349 0.401 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.308 -5.978 1.978 1.00 0.00 H new ATOM 92 N LYS A 6 6.011 -6.750 -1.580 1.00 0.00 N ATOM 93 CA LYS A 6 7.356 -6.947 -2.140 1.00 0.00 C ATOM 94 C LYS A 6 8.059 -5.600 -2.237 1.00 0.00 C ATOM 95 O LYS A 6 7.662 -4.774 -3.056 1.00 0.00 O ATOM 96 CB LYS A 6 7.186 -7.643 -3.508 1.00 0.00 C ATOM 97 CG LYS A 6 8.339 -7.530 -4.523 1.00 0.00 C ATOM 98 CD LYS A 6 9.564 -8.374 -4.134 1.00 0.00 C ATOM 99 CE LYS A 6 10.511 -8.515 -5.340 1.00 0.00 C ATOM 100 NZ LYS A 6 11.353 -9.738 -5.266 1.00 0.00 N ATOM 0 H LYS A 6 5.355 -6.392 -2.274 1.00 0.00 H new ATOM 0 HA LYS A 6 7.981 -7.578 -1.508 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.005 -8.702 -3.324 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.287 -7.243 -3.977 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.984 -7.845 -5.505 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.637 -6.485 -4.612 1.00 0.00 H new ATOM 0 HD2 LYS A 6 10.089 -7.906 -3.302 1.00 0.00 H new ATOM 0 HD3 LYS A 6 9.244 -9.359 -3.795 1.00 0.00 H new ATOM 0 HE2 LYS A 6 9.923 -8.538 -6.258 1.00 0.00 H new ATOM 0 HE3 LYS A 6 11.155 -7.638 -5.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 11.971 -9.785 -6.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 11.935 -9.707 -4.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 10.742 -10.579 -5.240 1.00 0.00 H new ATOM 114 N THR A 7 9.085 -5.363 -1.423 1.00 0.00 N ATOM 115 CA THR A 7 9.921 -4.160 -1.524 1.00 0.00 C ATOM 116 C THR A 7 10.997 -4.212 -2.614 1.00 0.00 C ATOM 117 O THR A 7 11.406 -5.280 -3.073 1.00 0.00 O ATOM 118 CB THR A 7 10.541 -3.746 -0.171 1.00 0.00 C ATOM 119 OG1 THR A 7 11.723 -4.483 0.041 1.00 0.00 O ATOM 120 CG2 THR A 7 9.637 -3.925 1.047 1.00 0.00 C ATOM 0 H THR A 7 9.364 -5.997 -0.674 1.00 0.00 H new ATOM 0 HA THR A 7 9.216 -3.388 -1.832 1.00 0.00 H new ATOM 0 HB THR A 7 10.723 -2.675 -0.256 1.00 0.00 H new ATOM 0 HG1 THR A 7 12.431 -3.882 0.354 1.00 0.00 H new ATOM 0 HG21 THR A 7 10.168 -3.605 1.944 1.00 0.00 H new ATOM 0 HG22 THR A 7 8.737 -3.323 0.924 1.00 0.00 H new ATOM 0 HG23 THR A 7 9.360 -4.975 1.144 1.00 0.00 H new ATOM 128 N LEU A 8 11.526 -3.037 -2.967 1.00 0.00 N ATOM 129 CA LEU A 8 12.708 -2.879 -3.829 1.00 0.00 C ATOM 130 C LEU A 8 13.991 -3.449 -3.197 1.00 0.00 C ATOM 131 O LEU A 8 14.872 -3.907 -3.919 1.00 0.00 O ATOM 132 CB LEU A 8 12.896 -1.381 -4.135 1.00 0.00 C ATOM 133 CG LEU A 8 11.936 -0.866 -5.223 1.00 0.00 C ATOM 134 CD1 LEU A 8 11.759 0.643 -5.091 1.00 0.00 C ATOM 135 CD2 LEU A 8 12.477 -1.157 -6.623 1.00 0.00 C ATOM 0 H LEU A 8 11.138 -2.147 -2.656 1.00 0.00 H new ATOM 0 HA LEU A 8 12.534 -3.446 -4.743 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.743 -0.807 -3.221 1.00 0.00 H new ATOM 0 HB3 LEU A 8 13.924 -1.207 -4.453 1.00 0.00 H new ATOM 0 HG LEU A 8 10.984 -1.379 -5.088 1.00 0.00 H new ATOM 0 HD11 LEU A 8 11.078 0.999 -5.865 1.00 0.00 H new ATOM 0 HD12 LEU A 8 11.346 0.876 -4.109 1.00 0.00 H new ATOM 0 HD13 LEU A 8 12.726 1.134 -5.204 1.00 0.00 H new ATOM 0 HD21 LEU A 8 11.777 -0.781 -7.369 1.00 0.00 H new ATOM 0 HD22 LEU A 8 13.441 -0.665 -6.750 1.00 0.00 H new ATOM 0 HD23 LEU A 8 12.599 -2.233 -6.749 1.00 0.00 H new ATOM 147 N THR A 9 14.090 -3.472 -1.864 1.00 0.00 N ATOM 148 CA THR A 9 15.182 -4.123 -1.109 1.00 0.00 C ATOM 149 C THR A 9 14.916 -5.636 -0.963 1.00 0.00 C ATOM 150 O THR A 9 15.607 -6.311 -0.205 1.00 0.00 O ATOM 151 CB THR A 9 15.315 -3.488 0.292 1.00 0.00 C ATOM 152 OG1 THR A 9 14.065 -3.308 0.936 1.00 0.00 O ATOM 153 CG2 THR A 9 15.957 -2.105 0.206 1.00 0.00 C ATOM 0 H THR A 9 13.399 -3.029 -1.259 1.00 0.00 H new ATOM 0 HA THR A 9 16.110 -3.978 -1.662 1.00 0.00 H new ATOM 0 HB THR A 9 15.929 -4.185 0.863 1.00 0.00 H new ATOM 0 HG1 THR A 9 14.206 -2.905 1.818 1.00 0.00 H new ATOM 0 HG21 THR A 9 16.039 -1.679 1.206 1.00 0.00 H new ATOM 0 HG22 THR A 9 16.950 -2.192 -0.234 1.00 0.00 H new ATOM 0 HG23 THR A 9 15.340 -1.456 -0.415 1.00 0.00 H new ATOM 161 N GLY A 10 13.925 -6.196 -1.669 1.00 0.00 N ATOM 162 CA GLY A 10 13.653 -7.633 -1.710 1.00 0.00 C ATOM 163 C GLY A 10 13.038 -8.220 -0.437 1.00 0.00 C ATOM 164 O GLY A 10 12.908 -9.438 -0.353 1.00 0.00 O ATOM 0 H GLY A 10 13.279 -5.649 -2.238 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.982 -7.835 -2.544 1.00 0.00 H new ATOM 0 HA3 GLY A 10 14.586 -8.157 -1.918 1.00 0.00 H new ATOM 168 N LYS A 11 12.646 -7.392 0.542 1.00 0.00 N ATOM 169 CA LYS A 11 11.934 -7.862 1.739 1.00 0.00 C ATOM 170 C LYS A 11 10.478 -8.195 1.409 1.00 0.00 C ATOM 171 O LYS A 11 9.823 -7.469 0.655 1.00 0.00 O ATOM 172 CB LYS A 11 12.024 -6.853 2.901 1.00 0.00 C ATOM 173 CG LYS A 11 13.464 -6.574 3.384 1.00 0.00 C ATOM 174 CD LYS A 11 13.667 -6.769 4.899 1.00 0.00 C ATOM 175 CE LYS A 11 13.651 -8.256 5.283 1.00 0.00 C ATOM 176 NZ LYS A 11 13.828 -8.465 6.739 1.00 0.00 N ATOM 0 H LYS A 11 12.812 -6.386 0.527 1.00 0.00 H new ATOM 0 HA LYS A 11 12.428 -8.775 2.072 1.00 0.00 H new ATOM 0 HB2 LYS A 11 11.569 -5.913 2.588 1.00 0.00 H new ATOM 0 HB3 LYS A 11 11.437 -7.228 3.740 1.00 0.00 H new ATOM 0 HG2 LYS A 11 14.149 -7.231 2.849 1.00 0.00 H new ATOM 0 HG3 LYS A 11 13.733 -5.551 3.121 1.00 0.00 H new ATOM 0 HD2 LYS A 11 14.616 -6.325 5.200 1.00 0.00 H new ATOM 0 HD3 LYS A 11 12.882 -6.243 5.443 1.00 0.00 H new ATOM 0 HE2 LYS A 11 12.707 -8.700 4.967 1.00 0.00 H new ATOM 0 HE3 LYS A 11 14.444 -8.776 4.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 13.810 -9.484 6.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 14.740 -8.066 7.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 13.058 -7.992 7.254 1.00 0.00 H new ATOM 190 N THR A 12 9.972 -9.256 2.034 1.00 0.00 N ATOM 191 CA THR A 12 8.541 -9.582 2.105 1.00 0.00 C ATOM 192 C THR A 12 7.872 -9.094 3.384 1.00 0.00 C ATOM 193 O THR A 12 8.214 -9.563 4.466 1.00 0.00 O ATOM 194 CB THR A 12 8.233 -11.066 1.835 1.00 0.00 C ATOM 195 OG1 THR A 12 9.114 -11.599 0.874 1.00 0.00 O ATOM 196 CG2 THR A 12 6.807 -11.275 1.329 1.00 0.00 C ATOM 0 H THR A 12 10.559 -9.934 2.520 1.00 0.00 H new ATOM 0 HA THR A 12 8.095 -9.020 1.285 1.00 0.00 H new ATOM 0 HB THR A 12 8.356 -11.577 2.790 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.899 -12.543 0.721 1.00 0.00 H new ATOM 0 HG21 THR A 12 6.636 -12.337 1.152 1.00 0.00 H new ATOM 0 HG22 THR A 12 6.100 -10.912 2.075 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.667 -10.725 0.398 1.00 0.00 H new ATOM 204 N ILE A 13 6.935 -8.152 3.276 1.00 0.00 N ATOM 205 CA ILE A 13 6.143 -7.652 4.411 1.00 0.00 C ATOM 206 C ILE A 13 4.865 -8.486 4.541 1.00 0.00 C ATOM 207 O ILE A 13 4.153 -8.666 3.553 1.00 0.00 O ATOM 208 CB ILE A 13 5.779 -6.160 4.244 1.00 0.00 C ATOM 209 CG1 ILE A 13 6.918 -5.280 3.680 1.00 0.00 C ATOM 210 CG2 ILE A 13 5.222 -5.581 5.558 1.00 0.00 C ATOM 211 CD1 ILE A 13 8.169 -5.193 4.568 1.00 0.00 C ATOM 0 H ILE A 13 6.698 -7.706 2.390 1.00 0.00 H new ATOM 0 HA ILE A 13 6.747 -7.745 5.314 1.00 0.00 H new ATOM 0 HB ILE A 13 4.999 -6.134 3.483 1.00 0.00 H new ATOM 0 HG12 ILE A 13 7.209 -5.669 2.704 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.534 -4.273 3.519 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.973 -4.529 5.416 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.326 -6.130 5.847 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.972 -5.673 6.343 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.911 -4.555 4.089 1.00 0.00 H new ATOM 0 HD12 ILE A 13 7.899 -4.772 5.537 1.00 0.00 H new ATOM 0 HD13 ILE A 13 8.585 -6.191 4.709 1.00 0.00 H new ATOM 223 N THR A 14 4.558 -8.942 5.754 1.00 0.00 N ATOM 224 CA THR A 14 3.301 -9.622 6.113 1.00 0.00 C ATOM 225 C THR A 14 2.233 -8.704 6.704 1.00 0.00 C ATOM 226 O THR A 14 2.535 -7.922 7.605 1.00 0.00 O ATOM 227 CB THR A 14 3.523 -10.842 7.029 1.00 0.00 C ATOM 228 OG1 THR A 14 4.704 -11.538 6.696 1.00 0.00 O ATOM 229 CG2 THR A 14 2.362 -11.838 6.979 1.00 0.00 C ATOM 0 H THR A 14 5.195 -8.848 6.545 1.00 0.00 H new ATOM 0 HA THR A 14 2.915 -9.974 5.156 1.00 0.00 H new ATOM 0 HB THR A 14 3.599 -10.431 8.035 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.813 -12.304 7.298 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.573 -12.676 7.643 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.445 -11.344 7.299 1.00 0.00 H new ATOM 0 HG23 THR A 14 2.241 -12.204 5.960 1.00 0.00 H new ATOM 237 N LEU A 15 0.977 -8.831 6.265 1.00 0.00 N ATOM 238 CA LEU A 15 -0.183 -8.185 6.893 1.00 0.00 C ATOM 239 C LEU A 15 -1.320 -9.185 7.085 1.00 0.00 C ATOM 240 O LEU A 15 -1.443 -10.142 6.327 1.00 0.00 O ATOM 241 CB LEU A 15 -0.686 -6.997 6.054 1.00 0.00 C ATOM 242 CG LEU A 15 0.311 -5.842 5.887 1.00 0.00 C ATOM 243 CD1 LEU A 15 -0.228 -4.865 4.841 1.00 0.00 C ATOM 244 CD2 LEU A 15 0.554 -5.075 7.189 1.00 0.00 C ATOM 0 H LEU A 15 0.732 -9.394 5.451 1.00 0.00 H new ATOM 0 HA LEU A 15 0.141 -7.814 7.865 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.961 -7.363 5.065 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.594 -6.607 6.514 1.00 0.00 H new ATOM 0 HG LEU A 15 1.260 -6.278 5.577 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.475 -4.041 4.716 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.353 -5.383 3.890 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.191 -4.474 5.170 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.267 -4.270 7.010 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.387 -4.654 7.544 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.955 -5.754 7.942 1.00 0.00 H new ATOM 256 N GLU A 16 -2.173 -8.904 8.067 1.00 0.00 N ATOM 257 CA GLU A 16 -3.484 -9.537 8.259 1.00 0.00 C ATOM 258 C GLU A 16 -4.613 -8.576 7.874 1.00 0.00 C ATOM 259 O GLU A 16 -4.633 -7.418 8.298 1.00 0.00 O ATOM 260 CB GLU A 16 -3.658 -10.006 9.714 1.00 0.00 C ATOM 261 CG GLU A 16 -3.184 -11.443 9.957 1.00 0.00 C ATOM 262 CD GLU A 16 -4.260 -12.473 9.587 1.00 0.00 C ATOM 263 OE1 GLU A 16 -4.813 -12.429 8.465 1.00 0.00 O ATOM 264 OE2 GLU A 16 -4.581 -13.347 10.427 1.00 0.00 O ATOM 0 H GLU A 16 -1.967 -8.204 8.779 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.533 -10.409 7.607 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.106 -9.334 10.372 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.710 -9.928 9.989 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.284 -11.632 9.371 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.913 -11.563 11.006 1.00 0.00 H new ATOM 271 N VAL A 17 -5.556 -9.063 7.070 1.00 0.00 N ATOM 272 CA VAL A 17 -6.722 -8.321 6.565 1.00 0.00 C ATOM 273 C VAL A 17 -7.933 -9.257 6.478 1.00 0.00 C ATOM 274 O VAL A 17 -7.819 -10.484 6.587 1.00 0.00 O ATOM 275 CB VAL A 17 -6.428 -7.665 5.193 1.00 0.00 C ATOM 276 CG1 VAL A 17 -5.335 -6.593 5.280 1.00 0.00 C ATOM 277 CG2 VAL A 17 -6.022 -8.671 4.109 1.00 0.00 C ATOM 0 H VAL A 17 -5.532 -10.026 6.735 1.00 0.00 H new ATOM 0 HA VAL A 17 -6.946 -7.515 7.264 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.376 -7.207 4.909 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.167 -6.164 4.292 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.649 -5.808 5.968 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.411 -7.044 5.642 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.831 -8.142 3.175 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.119 -9.196 4.420 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.827 -9.391 3.961 1.00 0.00 H new ATOM 287 N GLU A 18 -9.114 -8.679 6.279 1.00 0.00 N ATOM 288 CA GLU A 18 -10.345 -9.407 5.949 1.00 0.00 C ATOM 289 C GLU A 18 -10.646 -9.332 4.435 1.00 0.00 C ATOM 290 O GLU A 18 -10.358 -8.311 3.811 1.00 0.00 O ATOM 291 CB GLU A 18 -11.502 -8.873 6.816 1.00 0.00 C ATOM 292 CG GLU A 18 -11.422 -9.463 8.240 1.00 0.00 C ATOM 293 CD GLU A 18 -12.224 -8.705 9.312 1.00 0.00 C ATOM 294 OE1 GLU A 18 -12.448 -7.480 9.155 1.00 0.00 O ATOM 295 OE2 GLU A 18 -12.571 -9.359 10.328 1.00 0.00 O ATOM 0 H GLU A 18 -9.250 -7.670 6.343 1.00 0.00 H new ATOM 0 HA GLU A 18 -10.218 -10.465 6.177 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.458 -7.785 6.863 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.457 -9.134 6.360 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -11.774 -10.494 8.208 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.376 -9.492 8.545 1.00 0.00 H new ATOM 302 N PRO A 19 -11.262 -10.357 3.805 1.00 0.00 N ATOM 303 CA PRO A 19 -11.620 -10.330 2.376 1.00 0.00 C ATOM 304 C PRO A 19 -12.678 -9.268 2.017 1.00 0.00 C ATOM 305 O PRO A 19 -12.965 -9.072 0.835 1.00 0.00 O ATOM 306 CB PRO A 19 -12.116 -11.749 2.070 1.00 0.00 C ATOM 307 CG PRO A 19 -12.678 -12.228 3.408 1.00 0.00 C ATOM 308 CD PRO A 19 -11.719 -11.599 4.416 1.00 0.00 C ATOM 0 HA PRO A 19 -10.759 -10.044 1.772 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -12.879 -11.748 1.292 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.306 -12.391 1.722 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -13.704 -11.892 3.560 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -12.685 -13.316 3.479 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -12.219 -11.407 5.365 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -10.881 -12.263 4.626 1.00 0.00 H new ATOM 316 N SER A 20 -13.253 -8.593 3.016 1.00 0.00 N ATOM 317 CA SER A 20 -14.136 -7.431 2.890 1.00 0.00 C ATOM 318 C SER A 20 -13.477 -6.094 3.285 1.00 0.00 C ATOM 319 O SER A 20 -14.183 -5.094 3.391 1.00 0.00 O ATOM 320 CB SER A 20 -15.414 -7.688 3.700 1.00 0.00 C ATOM 321 OG SER A 20 -15.116 -7.860 5.075 1.00 0.00 O ATOM 0 H SER A 20 -13.106 -8.858 3.990 1.00 0.00 H new ATOM 0 HA SER A 20 -14.376 -7.317 1.833 1.00 0.00 H new ATOM 0 HB2 SER A 20 -16.103 -6.852 3.575 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.918 -8.576 3.319 1.00 0.00 H new ATOM 0 HG SER A 20 -15.945 -8.021 5.572 1.00 0.00 H new ATOM 327 N ASP A 21 -12.158 -6.046 3.527 1.00 0.00 N ATOM 328 CA ASP A 21 -11.422 -4.784 3.682 1.00 0.00 C ATOM 329 C ASP A 21 -11.436 -3.859 2.454 1.00 0.00 C ATOM 330 O ASP A 21 -11.189 -4.277 1.314 1.00 0.00 O ATOM 331 CB ASP A 21 -9.995 -4.971 4.247 1.00 0.00 C ATOM 332 CG ASP A 21 -9.892 -5.040 5.778 1.00 0.00 C ATOM 333 OD1 ASP A 21 -10.632 -4.313 6.479 1.00 0.00 O ATOM 334 OD2 ASP A 21 -8.988 -5.728 6.309 1.00 0.00 O ATOM 0 H ASP A 21 -11.575 -6.878 3.620 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.001 -4.253 4.438 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.576 -5.887 3.831 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.373 -4.147 3.896 1.00 0.00 H new ATOM 339 N THR A 22 -11.696 -2.575 2.703 1.00 0.00 N ATOM 340 CA THR A 22 -11.556 -1.485 1.731 1.00 0.00 C ATOM 341 C THR A 22 -10.072 -1.179 1.484 1.00 0.00 C ATOM 342 O THR A 22 -9.209 -1.441 2.326 1.00 0.00 O ATOM 343 CB THR A 22 -12.299 -0.233 2.221 1.00 0.00 C ATOM 344 OG1 THR A 22 -11.793 0.162 3.472 1.00 0.00 O ATOM 345 CG2 THR A 22 -13.795 -0.460 2.424 1.00 0.00 C ATOM 0 H THR A 22 -12.020 -2.253 3.615 1.00 0.00 H new ATOM 0 HA THR A 22 -12.002 -1.797 0.787 1.00 0.00 H new ATOM 0 HB THR A 22 -12.149 0.519 1.446 1.00 0.00 H new ATOM 0 HG1 THR A 22 -12.269 0.962 3.780 1.00 0.00 H new ATOM 0 HG21 THR A 22 -14.259 0.463 2.770 1.00 0.00 H new ATOM 0 HG22 THR A 22 -14.249 -0.762 1.480 1.00 0.00 H new ATOM 0 HG23 THR A 22 -13.947 -1.243 3.167 1.00 0.00 H new ATOM 353 N ILE A 23 -9.729 -0.606 0.325 1.00 0.00 N ATOM 354 CA ILE A 23 -8.323 -0.370 -0.048 1.00 0.00 C ATOM 355 C ILE A 23 -7.671 0.697 0.849 1.00 0.00 C ATOM 356 O ILE A 23 -6.472 0.631 1.129 1.00 0.00 O ATOM 357 CB ILE A 23 -8.254 -0.050 -1.558 1.00 0.00 C ATOM 358 CG1 ILE A 23 -8.663 -1.259 -2.433 1.00 0.00 C ATOM 359 CG2 ILE A 23 -6.863 0.436 -1.986 1.00 0.00 C ATOM 360 CD1 ILE A 23 -7.874 -2.562 -2.231 1.00 0.00 C ATOM 0 H ILE A 23 -10.404 -0.296 -0.374 1.00 0.00 H new ATOM 0 HA ILE A 23 -7.733 -1.270 0.124 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.971 0.756 -1.717 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.717 -1.469 -2.250 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.573 -0.967 -3.479 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.865 0.648 -3.055 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.609 1.343 -1.437 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.125 -0.337 -1.771 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.259 -3.329 -2.903 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.820 -2.386 -2.447 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.982 -2.897 -1.199 1.00 0.00 H new ATOM 372 N GLU A 24 -8.471 1.629 1.367 1.00 0.00 N ATOM 373 CA GLU A 24 -8.107 2.568 2.435 1.00 0.00 C ATOM 374 C GLU A 24 -7.880 1.895 3.807 1.00 0.00 C ATOM 375 O GLU A 24 -6.880 2.219 4.446 1.00 0.00 O ATOM 376 CB GLU A 24 -9.158 3.687 2.498 1.00 0.00 C ATOM 377 CG GLU A 24 -10.582 3.182 2.794 1.00 0.00 C ATOM 378 CD GLU A 24 -11.667 3.651 1.817 1.00 0.00 C ATOM 379 OE1 GLU A 24 -11.369 3.860 0.623 1.00 0.00 O ATOM 380 OE2 GLU A 24 -12.841 3.708 2.247 1.00 0.00 O ATOM 0 H GLU A 24 -9.430 1.758 1.043 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.136 2.997 2.186 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.868 4.403 3.268 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -9.162 4.224 1.549 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.568 2.092 2.798 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -10.860 3.501 3.798 1.00 0.00 H new ATOM 387 N ASN A 25 -8.685 0.903 4.229 1.00 0.00 N ATOM 388 CA ASN A 25 -8.415 0.092 5.433 1.00 0.00 C ATOM 389 C ASN A 25 -7.020 -0.547 5.386 1.00 0.00 C ATOM 390 O ASN A 25 -6.244 -0.451 6.337 1.00 0.00 O ATOM 391 CB ASN A 25 -9.493 -0.992 5.621 1.00 0.00 C ATOM 392 CG ASN A 25 -10.594 -0.609 6.593 1.00 0.00 C ATOM 393 OD1 ASN A 25 -10.897 0.544 6.850 1.00 0.00 O ATOM 394 ND2 ASN A 25 -11.219 -1.601 7.171 1.00 0.00 N ATOM 0 H ASN A 25 -9.543 0.640 3.745 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.446 0.767 6.289 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.940 -1.217 4.653 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.016 -1.907 5.972 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -11.965 -1.413 7.841 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -10.961 -2.563 6.952 1.00 0.00 H new ATOM 401 N VAL A 26 -6.671 -1.169 4.257 1.00 0.00 N ATOM 402 CA VAL A 26 -5.344 -1.774 4.055 1.00 0.00 C ATOM 403 C VAL A 26 -4.222 -0.732 4.015 1.00 0.00 C ATOM 404 O VAL A 26 -3.184 -0.926 4.651 1.00 0.00 O ATOM 405 CB VAL A 26 -5.324 -2.663 2.802 1.00 0.00 C ATOM 406 CG1 VAL A 26 -4.014 -3.452 2.683 1.00 0.00 C ATOM 407 CG2 VAL A 26 -6.485 -3.667 2.809 1.00 0.00 C ATOM 0 H VAL A 26 -7.296 -1.269 3.457 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.152 -2.405 4.923 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.421 -1.988 1.952 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.041 -4.068 1.784 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.176 -2.758 2.623 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.894 -4.092 3.557 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.441 -4.280 1.909 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.407 -4.307 3.688 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.432 -3.128 2.835 1.00 0.00 H new ATOM 417 N LYS A 27 -4.433 0.404 3.328 1.00 0.00 N ATOM 418 CA LYS A 27 -3.480 1.527 3.326 1.00 0.00 C ATOM 419 C LYS A 27 -3.290 2.164 4.704 1.00 0.00 C ATOM 420 O LYS A 27 -2.250 2.781 4.897 1.00 0.00 O ATOM 421 CB LYS A 27 -3.880 2.610 2.301 1.00 0.00 C ATOM 422 CG LYS A 27 -2.840 2.732 1.174 1.00 0.00 C ATOM 423 CD LYS A 27 -2.909 1.604 0.131 1.00 0.00 C ATOM 424 CE LYS A 27 -4.060 1.777 -0.868 1.00 0.00 C ATOM 425 NZ LYS A 27 -3.883 2.954 -1.757 1.00 0.00 N ATOM 0 H LYS A 27 -5.265 0.569 2.761 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.524 1.092 3.035 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.853 2.367 1.875 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.984 3.570 2.807 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.978 3.688 0.669 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.843 2.745 1.614 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.966 1.563 -0.414 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.022 0.649 0.644 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.143 0.877 -1.477 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.997 1.879 -0.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.580 3.685 -1.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.923 3.337 -1.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.021 2.666 -2.747 1.00 0.00 H new ATOM 439 N ALA A 28 -4.233 2.011 5.632 1.00 0.00 N ATOM 440 CA ALA A 28 -4.079 2.443 7.023 1.00 0.00 C ATOM 441 C ALA A 28 -3.323 1.404 7.875 1.00 0.00 C ATOM 442 O ALA A 28 -2.297 1.722 8.480 1.00 0.00 O ATOM 443 CB ALA A 28 -5.464 2.764 7.599 1.00 0.00 C ATOM 0 H ALA A 28 -5.136 1.579 5.439 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.465 3.343 7.049 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -5.361 3.087 8.635 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.925 3.560 7.015 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -6.091 1.873 7.557 1.00 0.00 H new ATOM 449 N LYS A 29 -3.780 0.140 7.880 1.00 0.00 N ATOM 450 CA LYS A 29 -3.215 -0.951 8.706 1.00 0.00 C ATOM 451 C LYS A 29 -1.705 -1.153 8.523 1.00 0.00 C ATOM 452 O LYS A 29 -1.009 -1.489 9.479 1.00 0.00 O ATOM 453 CB LYS A 29 -3.976 -2.262 8.429 1.00 0.00 C ATOM 454 CG LYS A 29 -5.393 -2.288 9.029 1.00 0.00 C ATOM 455 CD LYS A 29 -6.157 -3.547 8.587 1.00 0.00 C ATOM 456 CE LYS A 29 -7.583 -3.546 9.153 1.00 0.00 C ATOM 457 NZ LYS A 29 -8.311 -4.794 8.808 1.00 0.00 N ATOM 0 H LYS A 29 -4.565 -0.161 7.302 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.347 -0.653 9.746 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.043 -2.413 7.352 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.404 -3.097 8.833 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.331 -2.259 10.117 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.940 -1.398 8.717 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.193 -3.593 7.499 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.627 -4.437 8.926 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.545 -3.435 10.237 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.129 -2.687 8.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.271 -4.758 9.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.369 -4.887 7.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.803 -5.612 9.201 1.00 0.00 H new ATOM 471 N ILE A 30 -1.179 -0.914 7.317 1.00 0.00 N ATOM 472 CA ILE A 30 0.257 -1.039 7.018 1.00 0.00 C ATOM 473 C ILE A 30 1.133 -0.054 7.820 1.00 0.00 C ATOM 474 O ILE A 30 2.292 -0.361 8.111 1.00 0.00 O ATOM 475 CB ILE A 30 0.477 -0.884 5.496 1.00 0.00 C ATOM 476 CG1 ILE A 30 1.842 -1.478 5.099 1.00 0.00 C ATOM 477 CG2 ILE A 30 0.358 0.572 5.023 1.00 0.00 C ATOM 478 CD1 ILE A 30 2.055 -1.563 3.579 1.00 0.00 C ATOM 0 H ILE A 30 -1.739 -0.626 6.514 1.00 0.00 H new ATOM 0 HA ILE A 30 0.577 -2.032 7.334 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.319 -1.436 4.996 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.635 -0.870 5.536 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.933 -2.476 5.527 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.522 0.619 3.946 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.638 0.950 5.255 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.105 1.182 5.531 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.036 -1.990 3.372 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.284 -2.195 3.138 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.996 -0.564 3.147 1.00 0.00 H new ATOM 490 N GLN A 31 0.615 1.125 8.190 1.00 0.00 N ATOM 491 CA GLN A 31 1.374 2.103 8.972 1.00 0.00 C ATOM 492 C GLN A 31 1.393 1.793 10.477 1.00 0.00 C ATOM 493 O GLN A 31 2.440 1.946 11.103 1.00 0.00 O ATOM 494 CB GLN A 31 0.899 3.536 8.673 1.00 0.00 C ATOM 495 CG GLN A 31 1.384 4.032 7.297 1.00 0.00 C ATOM 496 CD GLN A 31 0.259 4.307 6.305 1.00 0.00 C ATOM 497 OE1 GLN A 31 -0.736 4.947 6.605 1.00 0.00 O ATOM 498 NE2 GLN A 31 0.393 3.876 5.070 1.00 0.00 N ATOM 0 H GLN A 31 -0.332 1.423 7.957 1.00 0.00 H new ATOM 0 HA GLN A 31 2.413 2.025 8.652 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -0.190 3.571 8.707 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.264 4.208 9.450 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.964 4.944 7.435 1.00 0.00 H new ATOM 0 HG3 GLN A 31 2.057 3.288 6.871 1.00 0.00 H new ATOM 0 HE21 GLN A 31 1.219 3.340 4.804 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.329 4.078 4.378 1.00 0.00 H new ATOM 507 N ASP A 32 0.296 1.274 11.040 1.00 0.00 N ATOM 508 CA ASP A 32 0.288 0.753 12.417 1.00 0.00 C ATOM 509 C ASP A 32 1.192 -0.475 12.617 1.00 0.00 C ATOM 510 O ASP A 32 2.118 -0.454 13.432 1.00 0.00 O ATOM 511 CB ASP A 32 -1.155 0.567 12.923 1.00 0.00 C ATOM 512 CG ASP A 32 -1.260 -0.192 14.257 1.00 0.00 C ATOM 513 OD1 ASP A 32 -1.007 -1.420 14.272 1.00 0.00 O ATOM 514 OD2 ASP A 32 -1.606 0.445 15.276 1.00 0.00 O ATOM 0 H ASP A 32 -0.603 1.202 10.563 1.00 0.00 H new ATOM 0 HA ASP A 32 0.747 1.509 13.054 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.618 1.547 13.038 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.728 0.031 12.166 1.00 0.00 H new ATOM 519 N LYS A 33 0.995 -1.509 11.783 1.00 0.00 N ATOM 520 CA LYS A 33 1.686 -2.802 11.912 1.00 0.00 C ATOM 521 C LYS A 33 3.186 -2.686 11.651 1.00 0.00 C ATOM 522 O LYS A 33 3.958 -3.361 12.324 1.00 0.00 O ATOM 523 CB LYS A 33 1.022 -3.823 10.964 1.00 0.00 C ATOM 524 CG LYS A 33 1.033 -5.284 11.461 1.00 0.00 C ATOM 525 CD LYS A 33 2.378 -6.021 11.370 1.00 0.00 C ATOM 526 CE LYS A 33 3.092 -6.222 12.717 1.00 0.00 C ATOM 527 NZ LYS A 33 2.412 -7.196 13.610 1.00 0.00 N ATOM 0 H LYS A 33 0.348 -1.471 10.996 1.00 0.00 H new ATOM 0 HA LYS A 33 1.589 -3.147 12.941 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.012 -3.521 10.797 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.527 -3.780 9.999 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.706 -5.295 12.501 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.295 -5.846 10.889 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.212 -6.997 10.913 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.038 -5.465 10.704 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.111 -6.561 12.532 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.164 -5.262 13.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.945 -7.283 14.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 1.448 -6.864 13.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.366 -8.123 13.141 1.00 0.00 H new ATOM 541 N GLU A 34 3.613 -1.860 10.693 1.00 0.00 N ATOM 542 CA GLU A 34 5.033 -1.770 10.309 1.00 0.00 C ATOM 543 C GLU A 34 5.558 -0.342 10.071 1.00 0.00 C ATOM 544 O GLU A 34 6.665 -0.025 10.505 1.00 0.00 O ATOM 545 CB GLU A 34 5.246 -2.672 9.079 1.00 0.00 C ATOM 546 CG GLU A 34 6.707 -3.047 8.794 1.00 0.00 C ATOM 547 CD GLU A 34 7.250 -4.059 9.816 1.00 0.00 C ATOM 548 OE1 GLU A 34 7.383 -3.713 11.003 1.00 0.00 O ATOM 549 OE2 GLU A 34 7.476 -5.241 9.444 1.00 0.00 O ATOM 0 H GLU A 34 2.998 -1.241 10.165 1.00 0.00 H new ATOM 0 HA GLU A 34 5.626 -2.113 11.157 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.672 -3.588 9.215 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.839 -2.168 8.203 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.785 -3.467 7.791 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.323 -2.148 8.812 1.00 0.00 H new ATOM 556 N GLY A 35 4.775 0.548 9.446 1.00 0.00 N ATOM 557 CA GLY A 35 5.157 1.957 9.251 1.00 0.00 C ATOM 558 C GLY A 35 5.595 2.318 7.831 1.00 0.00 C ATOM 559 O GLY A 35 6.616 2.979 7.660 1.00 0.00 O ATOM 0 H GLY A 35 3.860 0.314 9.061 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.312 2.588 9.526 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.969 2.196 9.937 1.00 0.00 H new ATOM 563 N ILE A 36 4.842 1.884 6.810 1.00 0.00 N ATOM 564 CA ILE A 36 5.115 2.169 5.384 1.00 0.00 C ATOM 565 C ILE A 36 4.139 3.253 4.863 1.00 0.00 C ATOM 566 O ILE A 36 3.022 2.913 4.464 1.00 0.00 O ATOM 567 CB ILE A 36 5.058 0.850 4.567 1.00 0.00 C ATOM 568 CG1 ILE A 36 6.060 -0.198 5.121 1.00 0.00 C ATOM 569 CG2 ILE A 36 5.320 1.077 3.067 1.00 0.00 C ATOM 570 CD1 ILE A 36 5.924 -1.603 4.521 1.00 0.00 C ATOM 0 H ILE A 36 4.008 1.313 6.950 1.00 0.00 H new ATOM 0 HA ILE A 36 6.120 2.573 5.265 1.00 0.00 H new ATOM 0 HB ILE A 36 4.043 0.467 4.676 1.00 0.00 H new ATOM 0 HG12 ILE A 36 7.074 0.161 4.943 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.931 -0.266 6.201 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.269 0.124 2.540 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.567 1.755 2.665 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.310 1.513 2.932 1.00 0.00 H new ATOM 0 HD11 ILE A 36 6.666 -2.264 4.970 1.00 0.00 H new ATOM 0 HD12 ILE A 36 4.925 -1.989 4.722 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.085 -1.556 3.444 1.00 0.00 H new ATOM 582 N PRO A 37 4.489 4.560 4.907 1.00 0.00 N ATOM 583 CA PRO A 37 3.613 5.663 4.490 1.00 0.00 C ATOM 584 C PRO A 37 3.634 5.912 2.966 1.00 0.00 C ATOM 585 O PRO A 37 4.650 5.635 2.320 1.00 0.00 O ATOM 586 CB PRO A 37 4.150 6.890 5.233 1.00 0.00 C ATOM 587 CG PRO A 37 5.654 6.620 5.274 1.00 0.00 C ATOM 588 CD PRO A 37 5.710 5.107 5.487 1.00 0.00 C ATOM 0 HA PRO A 37 2.574 5.434 4.726 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.918 7.816 4.707 1.00 0.00 H new ATOM 0 HB3 PRO A 37 3.726 6.976 6.233 1.00 0.00 H new ATOM 0 HG2 PRO A 37 6.146 6.918 4.348 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.142 7.163 6.083 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.591 4.681 5.008 1.00 0.00 H new ATOM 0 HD3 PRO A 37 5.776 4.867 6.548 1.00 0.00 H new ATOM 596 N PRO A 38 2.575 6.519 2.386 1.00 0.00 N ATOM 597 CA PRO A 38 2.534 6.869 0.960 1.00 0.00 C ATOM 598 C PRO A 38 3.592 7.917 0.568 1.00 0.00 C ATOM 599 O PRO A 38 4.166 7.857 -0.515 1.00 0.00 O ATOM 600 CB PRO A 38 1.113 7.389 0.708 1.00 0.00 C ATOM 601 CG PRO A 38 0.678 7.929 2.071 1.00 0.00 C ATOM 602 CD PRO A 38 1.355 6.964 3.046 1.00 0.00 C ATOM 0 HA PRO A 38 2.769 6.000 0.346 1.00 0.00 H new ATOM 0 HB2 PRO A 38 1.101 8.168 -0.054 1.00 0.00 H new ATOM 0 HB3 PRO A 38 0.451 6.595 0.362 1.00 0.00 H new ATOM 0 HG2 PRO A 38 1.008 8.957 2.224 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -0.406 7.922 2.182 1.00 0.00 H new ATOM 0 HD2 PRO A 38 1.580 7.458 3.991 1.00 0.00 H new ATOM 0 HD3 PRO A 38 0.705 6.120 3.275 1.00 0.00 H new ATOM 610 N ASP A 39 3.946 8.840 1.468 1.00 0.00 N ATOM 611 CA ASP A 39 4.989 9.854 1.242 1.00 0.00 C ATOM 612 C ASP A 39 6.439 9.362 1.047 1.00 0.00 C ATOM 613 O ASP A 39 7.381 10.150 0.982 1.00 0.00 O ATOM 614 CB ASP A 39 4.815 11.054 2.187 1.00 0.00 C ATOM 615 CG ASP A 39 3.613 11.890 1.738 1.00 0.00 C ATOM 616 OD1 ASP A 39 2.485 11.493 2.110 1.00 0.00 O ATOM 617 OD2 ASP A 39 3.838 12.866 0.983 1.00 0.00 O ATOM 0 H ASP A 39 3.512 8.907 2.388 1.00 0.00 H new ATOM 0 HA ASP A 39 4.803 10.212 0.229 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.668 10.706 3.210 1.00 0.00 H new ATOM 0 HB3 ASP A 39 5.717 11.665 2.185 1.00 0.00 H new ATOM 622 N GLN A 40 6.641 8.051 0.899 1.00 0.00 N ATOM 623 CA GLN A 40 7.931 7.424 0.598 1.00 0.00 C ATOM 624 C GLN A 40 7.868 6.484 -0.628 1.00 0.00 C ATOM 625 O GLN A 40 8.900 6.218 -1.252 1.00 0.00 O ATOM 626 CB GLN A 40 8.391 6.736 1.901 1.00 0.00 C ATOM 627 CG GLN A 40 9.857 6.278 1.947 1.00 0.00 C ATOM 628 CD GLN A 40 10.057 4.793 1.676 1.00 0.00 C ATOM 629 OE1 GLN A 40 9.932 3.932 2.532 1.00 0.00 O ATOM 630 NE2 GLN A 40 10.213 4.388 0.441 1.00 0.00 N ATOM 0 H GLN A 40 5.885 7.372 0.988 1.00 0.00 H new ATOM 0 HA GLN A 40 8.669 8.166 0.294 1.00 0.00 H new ATOM 0 HB2 GLN A 40 8.221 7.424 2.730 1.00 0.00 H new ATOM 0 HB3 GLN A 40 7.755 5.867 2.072 1.00 0.00 H new ATOM 0 HG2 GLN A 40 10.427 6.849 1.215 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.269 6.515 2.928 1.00 0.00 H new ATOM 0 HE21 GLN A 40 10.322 5.070 -0.310 1.00 0.00 H new ATOM 0 HE22 GLN A 40 10.226 3.390 0.229 1.00 0.00 H new ATOM 639 N ASN A 41 6.690 5.967 -1.002 1.00 0.00 N ATOM 640 CA ASN A 41 6.533 4.799 -1.884 1.00 0.00 C ATOM 641 C ASN A 41 5.072 4.680 -2.418 1.00 0.00 C ATOM 642 O ASN A 41 4.214 5.459 -2.010 1.00 0.00 O ATOM 643 CB ASN A 41 6.932 3.570 -1.026 1.00 0.00 C ATOM 644 CG ASN A 41 6.104 3.420 0.235 1.00 0.00 C ATOM 645 OD1 ASN A 41 4.932 3.092 0.186 1.00 0.00 O ATOM 646 ND2 ASN A 41 6.692 3.592 1.394 1.00 0.00 N ATOM 0 H ASN A 41 5.799 6.357 -0.694 1.00 0.00 H new ATOM 0 HA ASN A 41 7.160 4.881 -2.772 1.00 0.00 H new ATOM 0 HB2 ASN A 41 6.829 2.667 -1.628 1.00 0.00 H new ATOM 0 HB3 ASN A 41 7.984 3.653 -0.753 1.00 0.00 H new ATOM 0 HD21 ASN A 41 6.168 3.451 2.258 1.00 0.00 H new ATOM 0 HD22 ASN A 41 7.674 3.867 1.432 1.00 0.00 H new ATOM 653 N ARG A 42 4.745 3.738 -3.322 1.00 0.00 N ATOM 654 CA ARG A 42 3.356 3.544 -3.809 1.00 0.00 C ATOM 655 C ARG A 42 3.065 2.083 -4.165 1.00 0.00 C ATOM 656 O ARG A 42 3.775 1.478 -4.967 1.00 0.00 O ATOM 657 CB ARG A 42 3.058 4.519 -4.970 1.00 0.00 C ATOM 658 CG ARG A 42 1.566 4.550 -5.366 1.00 0.00 C ATOM 659 CD ARG A 42 1.239 5.676 -6.366 1.00 0.00 C ATOM 660 NE ARG A 42 1.922 5.470 -7.658 1.00 0.00 N ATOM 661 CZ ARG A 42 1.974 6.301 -8.688 1.00 0.00 C ATOM 662 NH1 ARG A 42 1.328 7.431 -8.742 1.00 0.00 N ATOM 663 NH2 ARG A 42 2.711 5.977 -9.711 1.00 0.00 N ATOM 0 H ARG A 42 5.422 3.095 -3.734 1.00 0.00 H new ATOM 0 HA ARG A 42 2.671 3.782 -2.996 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.373 5.523 -4.684 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.652 4.234 -5.838 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.290 3.590 -5.803 1.00 0.00 H new ATOM 0 HG3 ARG A 42 0.959 4.678 -4.470 1.00 0.00 H new ATOM 0 HD2 ARG A 42 0.162 5.720 -6.526 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.538 6.636 -5.945 1.00 0.00 H new ATOM 0 HE ARG A 42 2.412 4.583 -7.771 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.740 7.720 -7.961 1.00 0.00 H new ATOM 0 HH12 ARG A 42 1.411 8.027 -9.566 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.232 5.100 -9.707 1.00 0.00 H new ATOM 0 HH22 ARG A 42 2.768 6.600 -10.517 1.00 0.00 H new ATOM 677 N LEU A 43 2.024 1.524 -3.546 1.00 0.00 N ATOM 678 CA LEU A 43 1.660 0.101 -3.585 1.00 0.00 C ATOM 679 C LEU A 43 1.068 -0.323 -4.943 1.00 0.00 C ATOM 680 O LEU A 43 0.054 0.226 -5.370 1.00 0.00 O ATOM 681 CB LEU A 43 0.672 -0.137 -2.422 1.00 0.00 C ATOM 682 CG LEU A 43 0.284 -1.605 -2.165 1.00 0.00 C ATOM 683 CD1 LEU A 43 1.444 -2.390 -1.552 1.00 0.00 C ATOM 684 CD2 LEU A 43 -0.882 -1.644 -1.172 1.00 0.00 C ATOM 0 H LEU A 43 1.380 2.074 -2.977 1.00 0.00 H new ATOM 0 HA LEU A 43 2.550 -0.517 -3.468 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.109 0.269 -1.510 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.237 0.431 -2.620 1.00 0.00 H new ATOM 0 HG LEU A 43 0.014 -2.054 -3.121 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.136 -3.422 -1.384 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.295 -2.372 -2.232 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.729 -1.937 -0.602 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.165 -2.680 -0.983 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.579 -1.174 -0.236 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.733 -1.106 -1.589 1.00 0.00 H new ATOM 696 N ILE A 44 1.682 -1.312 -5.601 1.00 0.00 N ATOM 697 CA ILE A 44 1.255 -1.831 -6.922 1.00 0.00 C ATOM 698 C ILE A 44 0.675 -3.254 -6.829 1.00 0.00 C ATOM 699 O ILE A 44 1.184 -4.095 -6.092 1.00 0.00 O ATOM 700 CB ILE A 44 2.436 -1.781 -7.927 1.00 0.00 C ATOM 701 CG1 ILE A 44 3.142 -0.410 -7.980 1.00 0.00 C ATOM 702 CG2 ILE A 44 2.027 -2.195 -9.355 1.00 0.00 C ATOM 703 CD1 ILE A 44 2.253 0.800 -8.315 1.00 0.00 C ATOM 0 H ILE A 44 2.505 -1.788 -5.231 1.00 0.00 H new ATOM 0 HA ILE A 44 0.454 -1.186 -7.284 1.00 0.00 H new ATOM 0 HB ILE A 44 3.144 -2.513 -7.538 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.615 -0.231 -7.014 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.940 -0.464 -8.720 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.895 -2.140 -10.012 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.645 -3.216 -9.343 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.252 -1.522 -9.721 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.859 1.706 -8.323 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.800 0.658 -9.296 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.469 0.895 -7.563 1.00 0.00 H new ATOM 715 N PHE A 45 -0.332 -3.587 -7.645 1.00 0.00 N ATOM 716 CA PHE A 45 -0.770 -4.975 -7.861 1.00 0.00 C ATOM 717 C PHE A 45 -1.094 -5.365 -9.312 1.00 0.00 C ATOM 718 O PHE A 45 -1.910 -4.714 -9.958 1.00 0.00 O ATOM 719 CB PHE A 45 -1.819 -5.402 -6.825 1.00 0.00 C ATOM 720 CG PHE A 45 -2.528 -6.710 -7.125 1.00 0.00 C ATOM 721 CD1 PHE A 45 -1.990 -7.922 -6.649 1.00 0.00 C ATOM 722 CD2 PHE A 45 -3.718 -6.720 -7.877 1.00 0.00 C ATOM 723 CE1 PHE A 45 -2.645 -9.137 -6.918 1.00 0.00 C ATOM 724 CE2 PHE A 45 -4.370 -7.938 -8.148 1.00 0.00 C ATOM 725 CZ PHE A 45 -3.835 -9.145 -7.667 1.00 0.00 C ATOM 0 H PHE A 45 -0.869 -2.901 -8.176 1.00 0.00 H new ATOM 0 HA PHE A 45 0.115 -5.585 -7.680 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.333 -5.485 -5.853 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.566 -4.613 -6.742 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.074 -7.918 -6.077 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.131 -5.793 -8.246 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.234 -10.065 -6.549 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -5.282 -7.945 -8.726 1.00 0.00 H new ATOM 0 HZ PHE A 45 -4.338 -10.079 -7.873 1.00 0.00 H new ATOM 735 N ALA A 46 -0.431 -6.405 -9.842 1.00 0.00 N ATOM 736 CA ALA A 46 -0.628 -6.932 -11.205 1.00 0.00 C ATOM 737 C ALA A 46 -0.619 -5.861 -12.330 1.00 0.00 C ATOM 738 O ALA A 46 -1.351 -5.967 -13.316 1.00 0.00 O ATOM 739 CB ALA A 46 -1.863 -7.845 -11.212 1.00 0.00 C ATOM 0 H ALA A 46 0.279 -6.919 -9.320 1.00 0.00 H new ATOM 0 HA ALA A 46 0.248 -7.528 -11.463 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.018 -8.240 -12.216 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.709 -8.670 -10.517 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.740 -7.273 -10.908 1.00 0.00 H new ATOM 745 N GLY A 47 0.195 -4.811 -12.167 1.00 0.00 N ATOM 746 CA GLY A 47 0.300 -3.661 -13.078 1.00 0.00 C ATOM 747 C GLY A 47 -0.611 -2.470 -12.742 1.00 0.00 C ATOM 748 O GLY A 47 -0.314 -1.356 -13.171 1.00 0.00 O ATOM 0 H GLY A 47 0.823 -4.735 -11.367 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.334 -3.316 -13.083 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.071 -3.998 -14.089 1.00 0.00 H new ATOM 752 N LYS A 48 -1.672 -2.658 -11.943 1.00 0.00 N ATOM 753 CA LYS A 48 -2.539 -1.569 -11.462 1.00 0.00 C ATOM 754 C LYS A 48 -1.981 -0.869 -10.214 1.00 0.00 C ATOM 755 O LYS A 48 -1.369 -1.492 -9.346 1.00 0.00 O ATOM 756 CB LYS A 48 -3.970 -2.072 -11.194 1.00 0.00 C ATOM 757 CG LYS A 48 -4.693 -2.606 -12.445 1.00 0.00 C ATOM 758 CD LYS A 48 -6.211 -2.670 -12.194 1.00 0.00 C ATOM 759 CE LYS A 48 -7.004 -3.324 -13.337 1.00 0.00 C ATOM 760 NZ LYS A 48 -6.761 -4.785 -13.426 1.00 0.00 N ATOM 0 H LYS A 48 -1.956 -3.579 -11.609 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.567 -0.829 -12.262 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.931 -2.862 -10.445 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.556 -1.258 -10.768 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.485 -1.960 -13.298 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.316 -3.597 -12.696 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.394 -3.225 -11.274 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.586 -1.659 -12.037 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.068 -3.143 -13.188 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.730 -2.854 -14.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.316 -5.182 -14.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.750 -4.959 -13.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.046 -5.239 -12.535 1.00 0.00 H new ATOM 774 N GLN A 49 -2.260 0.429 -10.103 1.00 0.00 N ATOM 775 CA GLN A 49 -2.243 1.175 -8.835 1.00 0.00 C ATOM 776 C GLN A 49 -3.558 0.864 -8.078 1.00 0.00 C ATOM 777 O GLN A 49 -4.555 0.499 -8.704 1.00 0.00 O ATOM 778 CB GLN A 49 -2.107 2.675 -9.187 1.00 0.00 C ATOM 779 CG GLN A 49 -1.412 3.560 -8.138 1.00 0.00 C ATOM 780 CD GLN A 49 -2.191 3.747 -6.841 1.00 0.00 C ATOM 781 OE1 GLN A 49 -1.830 3.220 -5.803 1.00 0.00 O ATOM 782 NE2 GLN A 49 -3.363 4.338 -6.875 1.00 0.00 N ATOM 0 H GLN A 49 -2.510 1.008 -10.905 1.00 0.00 H new ATOM 0 HA GLN A 49 -1.412 0.893 -8.189 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.556 2.758 -10.124 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.104 3.076 -9.367 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.441 3.125 -7.902 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.224 4.540 -8.577 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.684 4.785 -7.734 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.952 4.350 -6.043 1.00 0.00 H new ATOM 791 N LEU A 50 -3.582 1.020 -6.752 1.00 0.00 N ATOM 792 CA LEU A 50 -4.731 0.702 -5.894 1.00 0.00 C ATOM 793 C LEU A 50 -5.289 1.980 -5.244 1.00 0.00 C ATOM 794 O LEU A 50 -4.703 2.522 -4.302 1.00 0.00 O ATOM 795 CB LEU A 50 -4.303 -0.356 -4.859 1.00 0.00 C ATOM 796 CG LEU A 50 -3.836 -1.700 -5.456 1.00 0.00 C ATOM 797 CD1 LEU A 50 -3.371 -2.613 -4.321 1.00 0.00 C ATOM 798 CD2 LEU A 50 -4.951 -2.417 -6.216 1.00 0.00 C ATOM 0 H LEU A 50 -2.783 1.380 -6.230 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.543 0.282 -6.488 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.496 0.056 -4.253 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.140 -0.545 -4.187 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.029 -1.484 -6.156 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.039 -3.566 -4.733 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.545 -2.140 -3.789 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.197 -2.785 -3.631 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.572 -3.357 -6.617 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.781 -2.619 -5.539 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.297 -1.787 -7.035 1.00 0.00 H new ATOM 810 N GLU A 51 -6.404 2.488 -5.760 1.00 0.00 N ATOM 811 CA GLU A 51 -7.052 3.735 -5.330 1.00 0.00 C ATOM 812 C GLU A 51 -8.175 3.490 -4.292 1.00 0.00 C ATOM 813 O GLU A 51 -8.500 2.349 -3.964 1.00 0.00 O ATOM 814 CB GLU A 51 -7.509 4.498 -6.597 1.00 0.00 C ATOM 815 CG GLU A 51 -6.983 5.948 -6.583 1.00 0.00 C ATOM 816 CD GLU A 51 -7.146 6.741 -7.900 1.00 0.00 C ATOM 817 OE1 GLU A 51 -7.633 6.192 -8.919 1.00 0.00 O ATOM 818 OE2 GLU A 51 -6.720 7.921 -7.954 1.00 0.00 O ATOM 0 H GLU A 51 -6.905 2.028 -6.520 1.00 0.00 H new ATOM 0 HA GLU A 51 -6.343 4.364 -4.791 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.147 3.984 -7.487 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.598 4.502 -6.652 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.495 6.492 -5.789 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.925 5.927 -6.323 1.00 0.00 H new ATOM 825 N ASP A 52 -8.696 4.567 -3.700 1.00 0.00 N ATOM 826 CA ASP A 52 -9.724 4.542 -2.644 1.00 0.00 C ATOM 827 C ASP A 52 -11.134 4.078 -3.063 1.00 0.00 C ATOM 828 O ASP A 52 -11.430 3.874 -4.239 1.00 0.00 O ATOM 829 CB ASP A 52 -9.730 5.880 -1.872 1.00 0.00 C ATOM 830 CG ASP A 52 -9.682 7.121 -2.774 1.00 0.00 C ATOM 831 OD1 ASP A 52 -10.671 7.398 -3.492 1.00 0.00 O ATOM 832 OD2 ASP A 52 -8.649 7.829 -2.752 1.00 0.00 O ATOM 0 H ASP A 52 -8.408 5.514 -3.947 1.00 0.00 H new ATOM 0 HA ASP A 52 -9.420 3.740 -1.971 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -10.627 5.927 -1.254 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.875 5.902 -1.196 1.00 0.00 H new ATOM 837 N GLY A 53 -12.014 3.844 -2.086 1.00 0.00 N ATOM 838 CA GLY A 53 -13.421 3.495 -2.296 1.00 0.00 C ATOM 839 C GLY A 53 -13.684 2.117 -2.921 1.00 0.00 C ATOM 840 O GLY A 53 -14.841 1.807 -3.212 1.00 0.00 O ATOM 0 H GLY A 53 -11.760 3.894 -1.099 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -13.934 3.541 -1.335 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -13.872 4.254 -2.935 1.00 0.00 H new ATOM 844 N ARG A 54 -12.651 1.298 -3.170 1.00 0.00 N ATOM 845 CA ARG A 54 -12.742 -0.116 -3.603 1.00 0.00 C ATOM 846 C ARG A 54 -12.457 -1.102 -2.459 1.00 0.00 C ATOM 847 O ARG A 54 -12.010 -0.700 -1.385 1.00 0.00 O ATOM 848 CB ARG A 54 -11.780 -0.356 -4.785 1.00 0.00 C ATOM 849 CG ARG A 54 -11.967 0.539 -6.026 1.00 0.00 C ATOM 850 CD ARG A 54 -13.301 0.352 -6.764 1.00 0.00 C ATOM 851 NE ARG A 54 -14.437 0.932 -6.022 1.00 0.00 N ATOM 852 CZ ARG A 54 -15.711 0.590 -6.084 1.00 0.00 C ATOM 853 NH1 ARG A 54 -16.152 -0.415 -6.780 1.00 0.00 N ATOM 854 NH2 ARG A 54 -16.579 1.269 -5.392 1.00 0.00 N ATOM 0 H ARG A 54 -11.685 1.611 -3.073 1.00 0.00 H new ATOM 0 HA ARG A 54 -13.768 -0.301 -3.922 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -10.760 -0.227 -4.424 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.879 -1.395 -5.098 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -11.881 1.582 -5.720 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -11.152 0.343 -6.723 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -13.238 0.816 -7.748 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -13.479 -0.711 -6.924 1.00 0.00 H new ATOM 0 HE ARG A 54 -14.210 1.692 -5.381 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -15.501 -0.988 -7.317 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -17.149 -0.631 -6.789 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -16.271 2.051 -4.814 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -17.567 1.019 -5.428 1.00 0.00 H new ATOM 868 N THR A 55 -12.662 -2.398 -2.709 1.00 0.00 N ATOM 869 CA THR A 55 -12.239 -3.527 -1.850 1.00 0.00 C ATOM 870 C THR A 55 -11.174 -4.437 -2.464 1.00 0.00 C ATOM 871 O THR A 55 -10.918 -4.381 -3.666 1.00 0.00 O ATOM 872 CB THR A 55 -13.411 -4.339 -1.259 1.00 0.00 C ATOM 873 OG1 THR A 55 -13.791 -5.362 -2.150 1.00 0.00 O ATOM 874 CG2 THR A 55 -14.661 -3.525 -0.924 1.00 0.00 C ATOM 0 H THR A 55 -13.147 -2.711 -3.550 1.00 0.00 H new ATOM 0 HA THR A 55 -11.752 -3.026 -1.013 1.00 0.00 H new ATOM 0 HB THR A 55 -13.024 -4.732 -0.319 1.00 0.00 H new ATOM 0 HG1 THR A 55 -14.534 -5.872 -1.765 1.00 0.00 H new ATOM 0 HG21 THR A 55 -15.426 -4.185 -0.515 1.00 0.00 H new ATOM 0 HG22 THR A 55 -14.411 -2.760 -0.189 1.00 0.00 H new ATOM 0 HG23 THR A 55 -15.038 -3.049 -1.829 1.00 0.00 H new ATOM 882 N LEU A 56 -10.557 -5.298 -1.646 1.00 0.00 N ATOM 883 CA LEU A 56 -9.606 -6.319 -2.109 1.00 0.00 C ATOM 884 C LEU A 56 -10.214 -7.242 -3.181 1.00 0.00 C ATOM 885 O LEU A 56 -9.678 -7.345 -4.283 1.00 0.00 O ATOM 886 CB LEU A 56 -9.149 -7.154 -0.900 1.00 0.00 C ATOM 887 CG LEU A 56 -8.241 -6.404 0.094 1.00 0.00 C ATOM 888 CD1 LEU A 56 -7.978 -7.283 1.312 1.00 0.00 C ATOM 889 CD2 LEU A 56 -6.887 -6.061 -0.533 1.00 0.00 C ATOM 0 H LEU A 56 -10.704 -5.307 -0.637 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.759 -5.810 -2.569 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -10.031 -7.511 -0.368 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.618 -8.034 -1.263 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.754 -5.484 0.374 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.336 -6.750 2.013 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -8.924 -7.524 1.797 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.486 -8.203 0.997 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.272 -5.533 0.196 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.383 -6.979 -0.836 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -7.041 -5.427 -1.406 1.00 0.00 H new ATOM 901 N SER A 57 -11.349 -7.879 -2.875 1.00 0.00 N ATOM 902 CA SER A 57 -12.032 -8.816 -3.786 1.00 0.00 C ATOM 903 C SER A 57 -12.530 -8.157 -5.089 1.00 0.00 C ATOM 904 O SER A 57 -12.598 -8.822 -6.127 1.00 0.00 O ATOM 905 CB SER A 57 -13.185 -9.468 -3.015 1.00 0.00 C ATOM 906 OG SER A 57 -13.831 -10.499 -3.737 1.00 0.00 O ATOM 0 H SER A 57 -11.827 -7.761 -1.982 1.00 0.00 H new ATOM 0 HA SER A 57 -11.311 -9.566 -4.111 1.00 0.00 H new ATOM 0 HB2 SER A 57 -12.802 -9.875 -2.079 1.00 0.00 H new ATOM 0 HB3 SER A 57 -13.917 -8.703 -2.755 1.00 0.00 H new ATOM 0 HG SER A 57 -14.554 -10.876 -3.193 1.00 0.00 H new ATOM 912 N ASP A 58 -12.818 -6.849 -5.062 1.00 0.00 N ATOM 913 CA ASP A 58 -13.234 -6.052 -6.239 1.00 0.00 C ATOM 914 C ASP A 58 -12.034 -5.761 -7.174 1.00 0.00 C ATOM 915 O ASP A 58 -12.186 -5.763 -8.391 1.00 0.00 O ATOM 916 CB ASP A 58 -13.885 -4.757 -5.719 1.00 0.00 C ATOM 917 CG ASP A 58 -14.569 -3.864 -6.767 1.00 0.00 C ATOM 918 OD1 ASP A 58 -15.064 -4.344 -7.815 1.00 0.00 O ATOM 919 OD2 ASP A 58 -14.668 -2.651 -6.485 1.00 0.00 O ATOM 0 H ASP A 58 -12.769 -6.297 -4.206 1.00 0.00 H new ATOM 0 HA ASP A 58 -13.953 -6.609 -6.840 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -14.625 -5.026 -4.965 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.118 -4.167 -5.217 1.00 0.00 H new ATOM 924 N TYR A 59 -10.821 -5.620 -6.619 1.00 0.00 N ATOM 925 CA TYR A 59 -9.538 -5.697 -7.336 1.00 0.00 C ATOM 926 C TYR A 59 -9.022 -7.107 -7.717 1.00 0.00 C ATOM 927 O TYR A 59 -7.877 -7.254 -8.156 1.00 0.00 O ATOM 928 CB TYR A 59 -8.469 -4.810 -6.664 1.00 0.00 C ATOM 929 CG TYR A 59 -8.447 -3.329 -7.026 1.00 0.00 C ATOM 930 CD1 TYR A 59 -7.934 -2.934 -8.276 1.00 0.00 C ATOM 931 CD2 TYR A 59 -8.788 -2.353 -6.071 1.00 0.00 C ATOM 932 CE1 TYR A 59 -7.739 -1.571 -8.566 1.00 0.00 C ATOM 933 CE2 TYR A 59 -8.571 -0.987 -6.353 1.00 0.00 C ATOM 934 CZ TYR A 59 -8.041 -0.592 -7.597 1.00 0.00 C ATOM 935 OH TYR A 59 -7.790 0.722 -7.840 1.00 0.00 O ATOM 0 H TYR A 59 -10.702 -5.443 -5.622 1.00 0.00 H new ATOM 0 HA TYR A 59 -9.762 -5.285 -8.320 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -8.598 -4.889 -5.585 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -7.490 -5.227 -6.900 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -7.689 -3.681 -9.016 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -9.215 -2.649 -5.124 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -7.358 -1.274 -9.532 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.813 -0.241 -5.611 1.00 0.00 H new ATOM 0 HH TYR A 59 -8.590 1.251 -7.638 1.00 0.00 H new ATOM 945 N ASN A 60 -9.836 -8.156 -7.519 1.00 0.00 N ATOM 946 CA ASN A 60 -9.476 -9.583 -7.658 1.00 0.00 C ATOM 947 C ASN A 60 -8.371 -10.076 -6.686 1.00 0.00 C ATOM 948 O ASN A 60 -7.811 -11.161 -6.870 1.00 0.00 O ATOM 949 CB ASN A 60 -9.224 -9.966 -9.135 1.00 0.00 C ATOM 950 CG ASN A 60 -10.440 -9.835 -10.037 1.00 0.00 C ATOM 951 OD1 ASN A 60 -10.710 -8.794 -10.608 1.00 0.00 O ATOM 952 ND2 ASN A 60 -11.161 -10.912 -10.261 1.00 0.00 N ATOM 0 H ASN A 60 -10.810 -8.030 -7.244 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.354 -10.140 -7.331 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -8.426 -9.337 -9.529 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.868 -10.995 -9.174 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -11.945 -10.874 -10.912 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -10.936 -11.785 -9.783 1.00 0.00 H new ATOM 959 N ILE A 61 -8.045 -9.309 -5.640 1.00 0.00 N ATOM 960 CA ILE A 61 -6.988 -9.627 -4.665 1.00 0.00 C ATOM 961 C ILE A 61 -7.477 -10.699 -3.678 1.00 0.00 C ATOM 962 O ILE A 61 -8.545 -10.577 -3.079 1.00 0.00 O ATOM 963 CB ILE A 61 -6.487 -8.359 -3.929 1.00 0.00 C ATOM 964 CG1 ILE A 61 -6.230 -7.194 -4.913 1.00 0.00 C ATOM 965 CG2 ILE A 61 -5.220 -8.704 -3.116 1.00 0.00 C ATOM 966 CD1 ILE A 61 -5.667 -5.908 -4.299 1.00 0.00 C ATOM 0 H ILE A 61 -8.518 -8.428 -5.440 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.135 -10.030 -5.210 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.264 -8.021 -3.244 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.538 -7.539 -5.681 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.168 -6.954 -5.414 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.866 -7.813 -2.598 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.456 -9.479 -2.386 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.442 -9.064 -3.790 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.527 -5.162 -5.081 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.364 -5.526 -3.553 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.709 -6.120 -3.825 1.00 0.00 H new ATOM 978 N GLN A 62 -6.676 -11.754 -3.497 1.00 0.00 N ATOM 979 CA GLN A 62 -7.004 -12.958 -2.712 1.00 0.00 C ATOM 980 C GLN A 62 -5.985 -13.221 -1.582 1.00 0.00 C ATOM 981 O GLN A 62 -4.955 -12.545 -1.498 1.00 0.00 O ATOM 982 CB GLN A 62 -7.136 -14.143 -3.694 1.00 0.00 C ATOM 983 CG GLN A 62 -8.398 -14.049 -4.582 1.00 0.00 C ATOM 984 CD GLN A 62 -8.217 -14.719 -5.941 1.00 0.00 C ATOM 985 OE1 GLN A 62 -8.391 -15.917 -6.105 1.00 0.00 O ATOM 986 NE2 GLN A 62 -7.742 -14.010 -6.942 1.00 0.00 N ATOM 0 H GLN A 62 -5.743 -11.799 -3.908 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.952 -12.814 -2.193 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -6.252 -14.182 -4.330 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.163 -15.075 -3.130 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -9.237 -14.512 -4.063 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -8.655 -13.000 -4.731 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -7.588 -13.008 -6.829 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -7.528 -14.462 -7.831 1.00 0.00 H new ATOM 995 N LYS A 63 -6.248 -14.196 -0.699 1.00 0.00 N ATOM 996 CA LYS A 63 -5.317 -14.612 0.371 1.00 0.00 C ATOM 997 C LYS A 63 -3.953 -15.018 -0.215 1.00 0.00 C ATOM 998 O LYS A 63 -3.887 -15.549 -1.320 1.00 0.00 O ATOM 999 CB LYS A 63 -5.985 -15.726 1.220 1.00 0.00 C ATOM 1000 CG LYS A 63 -6.003 -17.071 0.462 1.00 0.00 C ATOM 1001 CD LYS A 63 -6.958 -18.111 1.054 1.00 0.00 C ATOM 1002 CE LYS A 63 -7.120 -19.270 0.057 1.00 0.00 C ATOM 1003 NZ LYS A 63 -8.058 -20.286 0.567 1.00 0.00 N ATOM 0 H LYS A 63 -7.120 -14.725 -0.704 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.109 -13.775 1.037 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.446 -15.843 2.160 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.005 -15.433 1.471 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.282 -16.887 -0.576 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.994 -17.484 0.453 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.569 -18.482 2.002 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.926 -17.656 1.263 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.481 -18.885 -0.897 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.150 -19.729 -0.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.147 -21.056 -0.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.700 -20.669 1.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.990 -19.851 0.723 1.00 0.00 H new ATOM 1017 N GLU A 64 -2.871 -14.756 0.519 1.00 0.00 N ATOM 1018 CA GLU A 64 -1.466 -14.946 0.099 1.00 0.00 C ATOM 1019 C GLU A 64 -1.030 -14.175 -1.166 1.00 0.00 C ATOM 1020 O GLU A 64 0.038 -14.427 -1.717 1.00 0.00 O ATOM 1021 CB GLU A 64 -1.066 -16.436 0.070 1.00 0.00 C ATOM 1022 CG GLU A 64 -1.221 -17.140 1.433 1.00 0.00 C ATOM 1023 CD GLU A 64 -0.474 -18.480 1.548 1.00 0.00 C ATOM 1024 OE1 GLU A 64 0.083 -18.990 0.552 1.00 0.00 O ATOM 1025 OE2 GLU A 64 -0.427 -19.057 2.656 1.00 0.00 O ATOM 0 H GLU A 64 -2.944 -14.388 1.468 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.885 -14.466 0.886 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.677 -16.954 -0.669 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.030 -16.520 -0.258 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.864 -16.471 2.216 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.281 -17.312 1.620 1.00 0.00 H new ATOM 1032 N SER A 65 -1.792 -13.167 -1.626 1.00 0.00 N ATOM 1033 CA SER A 65 -1.430 -12.371 -2.819 1.00 0.00 C ATOM 1034 C SER A 65 -0.108 -11.619 -2.670 1.00 0.00 C ATOM 1035 O SER A 65 0.122 -10.922 -1.677 1.00 0.00 O ATOM 1036 CB SER A 65 -2.495 -11.328 -3.182 1.00 0.00 C ATOM 1037 OG SER A 65 -3.649 -11.956 -3.685 1.00 0.00 O ATOM 0 H SER A 65 -2.668 -12.881 -1.189 1.00 0.00 H new ATOM 0 HA SER A 65 -1.343 -13.119 -3.607 1.00 0.00 H new ATOM 0 HB2 SER A 65 -2.749 -10.738 -2.302 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.097 -10.637 -3.925 1.00 0.00 H new ATOM 0 HG SER A 65 -4.170 -12.326 -2.942 1.00 0.00 H new ATOM 1043 N THR A 66 0.728 -11.688 -3.713 1.00 0.00 N ATOM 1044 CA THR A 66 1.975 -10.920 -3.871 1.00 0.00 C ATOM 1045 C THR A 66 1.839 -9.487 -4.389 1.00 0.00 C ATOM 1046 O THR A 66 2.090 -9.200 -5.566 1.00 0.00 O ATOM 1047 CB THR A 66 3.086 -11.708 -4.608 1.00 0.00 C ATOM 1048 OG1 THR A 66 2.920 -13.108 -4.523 1.00 0.00 O ATOM 1049 CG2 THR A 66 4.472 -11.364 -4.068 1.00 0.00 C ATOM 0 H THR A 66 0.549 -12.306 -4.505 1.00 0.00 H new ATOM 0 HA THR A 66 2.294 -10.783 -2.838 1.00 0.00 H new ATOM 0 HB THR A 66 3.000 -11.406 -5.652 1.00 0.00 H new ATOM 0 HG1 THR A 66 3.647 -13.554 -5.006 1.00 0.00 H new ATOM 0 HG21 THR A 66 5.226 -11.936 -4.609 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.660 -10.299 -4.201 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.521 -11.611 -3.008 1.00 0.00 H new ATOM 1057 N LEU A 67 1.414 -8.554 -3.532 1.00 0.00 N ATOM 1058 CA LEU A 67 1.452 -7.130 -3.869 1.00 0.00 C ATOM 1059 C LEU A 67 2.907 -6.672 -4.035 1.00 0.00 C ATOM 1060 O LEU A 67 3.804 -7.099 -3.312 1.00 0.00 O ATOM 1061 CB LEU A 67 0.701 -6.270 -2.837 1.00 0.00 C ATOM 1062 CG LEU A 67 -0.790 -6.641 -2.713 1.00 0.00 C ATOM 1063 CD1 LEU A 67 -1.078 -7.540 -1.511 1.00 0.00 C ATOM 1064 CD2 LEU A 67 -1.635 -5.379 -2.533 1.00 0.00 C ATOM 0 H LEU A 67 1.042 -8.759 -2.605 1.00 0.00 H new ATOM 0 HA LEU A 67 0.932 -6.992 -4.817 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.179 -6.380 -1.864 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.786 -5.220 -3.117 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.042 -7.173 -3.630 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.143 -7.768 -1.474 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.511 -8.466 -1.605 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.785 -7.027 -0.595 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.686 -5.654 -2.447 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.321 -4.857 -1.629 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.501 -4.725 -3.395 1.00 0.00 H new ATOM 1076 N HIS A 68 3.149 -5.806 -5.010 1.00 0.00 N ATOM 1077 CA HIS A 68 4.443 -5.195 -5.256 1.00 0.00 C ATOM 1078 C HIS A 68 4.446 -3.795 -4.744 1.00 0.00 C ATOM 1079 O HIS A 68 3.424 -3.181 -4.439 1.00 0.00 O ATOM 1080 CB HIS A 68 4.818 -5.253 -6.740 1.00 0.00 C ATOM 1081 CG HIS A 68 5.038 -6.654 -7.278 1.00 0.00 C ATOM 1082 ND1 HIS A 68 4.209 -7.752 -7.156 1.00 0.00 N ATOM 1083 CD2 HIS A 68 6.112 -7.057 -8.028 1.00 0.00 C ATOM 1084 CE1 HIS A 68 4.786 -8.786 -7.789 1.00 0.00 C ATOM 1085 NE2 HIS A 68 5.955 -8.414 -8.335 1.00 0.00 N ATOM 0 H HIS A 68 2.430 -5.503 -5.667 1.00 0.00 H new ATOM 0 HA HIS A 68 5.203 -5.762 -4.718 1.00 0.00 H new ATOM 0 HB2 HIS A 68 4.029 -4.774 -7.320 1.00 0.00 H new ATOM 0 HB3 HIS A 68 5.726 -4.671 -6.895 1.00 0.00 H new ATOM 0 HD1 HIS A 68 3.313 -7.774 -6.669 1.00 0.00 H new ATOM 0 HD2 HIS A 68 6.940 -6.433 -8.331 1.00 0.00 H new ATOM 0 HE1 HIS A 68 4.368 -9.780 -7.851 1.00 0.00 H new ATOM 1093 N LEU A 69 5.660 -3.302 -4.660 1.00 0.00 N ATOM 1094 CA LEU A 69 5.864 -1.954 -4.314 1.00 0.00 C ATOM 1095 C LEU A 69 6.725 -1.200 -5.309 1.00 0.00 C ATOM 1096 O LEU A 69 7.671 -1.756 -5.862 1.00 0.00 O ATOM 1097 CB LEU A 69 6.460 -1.851 -2.924 1.00 0.00 C ATOM 1098 CG LEU A 69 6.598 -0.497 -2.221 1.00 0.00 C ATOM 1099 CD1 LEU A 69 5.236 0.165 -2.093 1.00 0.00 C ATOM 1100 CD2 LEU A 69 7.189 -0.689 -0.824 1.00 0.00 C ATOM 0 H LEU A 69 6.513 -3.835 -4.832 1.00 0.00 H new ATOM 0 HA LEU A 69 4.882 -1.481 -4.332 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.862 -2.489 -2.273 1.00 0.00 H new ATOM 0 HB3 LEU A 69 7.457 -2.289 -2.971 1.00 0.00 H new ATOM 0 HG LEU A 69 7.259 0.135 -2.815 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.345 1.127 -1.592 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.811 0.319 -3.085 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.574 -0.475 -1.510 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.283 0.279 -0.333 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.533 -1.332 -0.237 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.173 -1.152 -0.905 1.00 0.00 H new ATOM 1112 N VAL A 70 6.476 0.104 -5.400 1.00 0.00 N ATOM 1113 CA VAL A 70 7.532 1.052 -5.731 1.00 0.00 C ATOM 1114 C VAL A 70 7.902 2.041 -4.677 1.00 0.00 C ATOM 1115 O VAL A 70 7.095 2.379 -3.830 1.00 0.00 O ATOM 1116 CB VAL A 70 7.283 1.947 -6.966 1.00 0.00 C ATOM 1117 CG1 VAL A 70 8.565 2.046 -7.805 1.00 0.00 C ATOM 1118 CG2 VAL A 70 6.141 1.468 -7.868 1.00 0.00 C ATOM 0 H VAL A 70 5.559 0.524 -5.250 1.00 0.00 H new ATOM 0 HA VAL A 70 8.322 0.320 -5.898 1.00 0.00 H new ATOM 0 HB VAL A 70 6.988 2.919 -6.571 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.383 2.678 -8.674 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.362 2.480 -7.201 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.861 1.051 -8.136 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.032 2.151 -8.711 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.365 0.468 -8.238 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.212 1.445 -7.298 1.00 0.00 H new ATOM 1128 N LEU A 71 9.058 2.653 -4.861 1.00 0.00 N ATOM 1129 CA LEU A 71 9.300 3.982 -4.369 1.00 0.00 C ATOM 1130 C LEU A 71 8.623 5.165 -5.056 1.00 0.00 C ATOM 1131 O LEU A 71 8.159 5.099 -6.190 1.00 0.00 O ATOM 1132 CB LEU A 71 10.807 4.281 -4.347 1.00 0.00 C ATOM 1133 CG LEU A 71 11.398 4.661 -2.970 1.00 0.00 C ATOM 1134 CD1 LEU A 71 12.584 3.766 -2.608 1.00 0.00 C ATOM 1135 CD2 LEU A 71 11.891 6.108 -2.932 1.00 0.00 C ATOM 0 H LEU A 71 9.848 2.238 -5.355 1.00 0.00 H new ATOM 0 HA LEU A 71 8.834 3.925 -3.385 1.00 0.00 H new ATOM 0 HB2 LEU A 71 11.337 3.405 -4.719 1.00 0.00 H new ATOM 0 HB3 LEU A 71 11.007 5.095 -5.044 1.00 0.00 H new ATOM 0 HG LEU A 71 10.585 4.530 -2.255 1.00 0.00 H new ATOM 0 HD11 LEU A 71 12.977 4.059 -1.634 1.00 0.00 H new ATOM 0 HD12 LEU A 71 12.257 2.727 -2.570 1.00 0.00 H new ATOM 0 HD13 LEU A 71 13.364 3.874 -3.361 1.00 0.00 H new ATOM 0 HD21 LEU A 71 12.297 6.328 -1.945 1.00 0.00 H new ATOM 0 HD22 LEU A 71 12.668 6.248 -3.684 1.00 0.00 H new ATOM 0 HD23 LEU A 71 11.060 6.781 -3.140 1.00 0.00 H new