USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 669 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 67 MET CE :methyl -173:sc=-0.00356 (180deg=-0.012) USER MOD Set 1.2: A 90 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 79 LYS NZ :NH3+ -168:sc= 1.04 (180deg=0) USER MOD Set 2.2: A 94 SER OG : rot 180:sc= 0.91 USER MOD Set 3.1: A 38 TYR OH : rot 172:sc= 1.37 USER MOD Set 3.2: A 47 LYS NZ :NH3+ 171:sc= 0.89 (180deg=0) USER MOD Set 3.3: A 58 GLN : amide:sc= 0 X(o=2.3,f=1.8) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.348 USER MOD Single : A 45 TYR OH : rot 15:sc= 1.22 USER MOD Single : A 53 MET CE :methyl 153:sc= -0.127 (180deg=-1.74!) USER MOD Single : A 65 MET CE :methyl -152:sc= -0.37 (180deg=-1.41!) USER MOD Single : A 70 SER OG : rot -90:sc= 1.21 USER MOD Single : A 72 GLN : amide:sc= 1.16 K(o=1.2,f=-0.05) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -83:sc= 1.26 USER MOD Single : A 85 TYR OH : rot 77:sc= 0.886 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= -1.38 K(o=-1.4,f=-7.7!) USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=-0.09) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 ASN :FLIP amide:sc= -2.63! C(o=-5!,f=-2.6!) USER MOD Single : A 120 HIS : no HE2:sc= -1.14 K(o=-1.1,f=-4.1!) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 LYS NZ :NH3+ 171:sc= -0.0546 (180deg=-0.194) USER MOD ----------------------------------------------------------------- ATOM 100 N LEU A 36 3.677 -11.410 0.343 1.00 0.00 N ATOM 101 CA LEU A 36 2.279 -11.225 -0.013 1.00 0.00 C ATOM 102 C LEU A 36 2.012 -9.799 -0.483 1.00 0.00 C ATOM 103 O LEU A 36 2.890 -8.937 -0.533 1.00 0.00 O ATOM 104 CB LEU A 36 1.349 -11.639 1.142 1.00 0.00 C ATOM 105 CG LEU A 36 1.710 -11.061 2.517 1.00 0.00 C ATOM 106 CD1 LEU A 36 1.619 -9.534 2.604 1.00 0.00 C ATOM 107 CD2 LEU A 36 0.874 -11.734 3.611 1.00 0.00 C ATOM 0 HA LEU A 36 2.056 -11.884 -0.852 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.332 -11.334 0.894 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.348 -12.727 1.213 1.00 0.00 H new ATOM 0 HG LEU A 36 2.764 -11.288 2.674 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.890 -9.210 3.609 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.302 -9.087 1.882 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.600 -9.217 2.383 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.140 -11.315 4.582 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.185 -11.560 3.418 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.072 -12.806 3.612 1.00 0.00 H new ATOM 119 N PHE A 37 0.763 -9.583 -0.861 1.00 0.00 N ATOM 120 CA PHE A 37 0.228 -8.415 -1.545 1.00 0.00 C ATOM 121 C PHE A 37 -1.289 -8.600 -1.588 1.00 0.00 C ATOM 122 O PHE A 37 -1.723 -9.716 -1.876 1.00 0.00 O ATOM 123 CB PHE A 37 0.788 -8.394 -2.976 1.00 0.00 C ATOM 124 CG PHE A 37 0.503 -7.122 -3.737 1.00 0.00 C ATOM 125 CD1 PHE A 37 -0.774 -6.882 -4.274 1.00 0.00 C ATOM 126 CD2 PHE A 37 1.527 -6.176 -3.918 1.00 0.00 C ATOM 127 CE1 PHE A 37 -1.024 -5.713 -5.000 1.00 0.00 C ATOM 128 CE2 PHE A 37 1.286 -5.014 -4.665 1.00 0.00 C ATOM 129 CZ PHE A 37 0.017 -4.798 -5.223 1.00 0.00 C ATOM 0 H PHE A 37 0.037 -10.277 -0.683 1.00 0.00 H new ATOM 0 HA PHE A 37 0.494 -7.484 -1.044 1.00 0.00 H new ATOM 0 HB2 PHE A 37 1.867 -8.544 -2.933 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.371 -9.235 -3.529 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.565 -7.603 -4.125 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.500 -6.344 -3.481 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.013 -5.515 -5.387 1.00 0.00 H new ATOM 0 HE2 PHE A 37 2.073 -4.289 -4.810 1.00 0.00 H new ATOM 0 HZ PHE A 37 -0.160 -3.921 -5.828 1.00 0.00 H new ATOM 139 N TYR A 38 -2.079 -7.564 -1.317 1.00 0.00 N ATOM 140 CA TYR A 38 -3.544 -7.580 -1.294 1.00 0.00 C ATOM 141 C TYR A 38 -4.084 -6.392 -2.106 1.00 0.00 C ATOM 142 O TYR A 38 -3.312 -5.631 -2.696 1.00 0.00 O ATOM 143 CB TYR A 38 -4.031 -7.475 0.159 1.00 0.00 C ATOM 144 CG TYR A 38 -3.705 -8.620 1.093 1.00 0.00 C ATOM 145 CD1 TYR A 38 -2.433 -8.692 1.689 1.00 0.00 C ATOM 146 CD2 TYR A 38 -4.696 -9.561 1.437 1.00 0.00 C ATOM 147 CE1 TYR A 38 -2.142 -9.703 2.618 1.00 0.00 C ATOM 148 CE2 TYR A 38 -4.407 -10.560 2.373 1.00 0.00 C ATOM 149 CZ TYR A 38 -3.136 -10.641 2.970 1.00 0.00 C ATOM 150 OH TYR A 38 -2.866 -11.624 3.868 1.00 0.00 O ATOM 0 H TYR A 38 -1.698 -6.644 -1.096 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.906 -8.510 -1.733 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -3.615 -6.563 0.588 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -5.114 -7.354 0.142 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.677 -7.966 1.431 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -5.674 -9.511 0.980 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.160 -9.763 3.063 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -5.169 -11.277 2.640 1.00 0.00 H new ATOM 0 HH TYR A 38 -3.692 -12.105 4.085 1.00 0.00 H new ATOM 160 N THR A 39 -5.402 -6.190 -2.112 1.00 0.00 N ATOM 161 CA THR A 39 -6.066 -5.132 -2.853 1.00 0.00 C ATOM 162 C THR A 39 -7.245 -4.523 -2.089 1.00 0.00 C ATOM 163 O THR A 39 -7.692 -5.100 -1.093 1.00 0.00 O ATOM 164 CB THR A 39 -6.552 -5.705 -4.201 1.00 0.00 C ATOM 165 OG1 THR A 39 -7.433 -6.777 -3.947 1.00 0.00 O ATOM 166 CG2 THR A 39 -5.412 -6.219 -5.076 1.00 0.00 C ATOM 0 H THR A 39 -6.049 -6.777 -1.586 1.00 0.00 H new ATOM 0 HA THR A 39 -5.347 -4.328 -3.008 1.00 0.00 H new ATOM 0 HB THR A 39 -7.042 -4.893 -4.739 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.750 -7.148 -4.797 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.817 -6.609 -6.010 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.723 -5.403 -5.293 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.880 -7.013 -4.552 1.00 0.00 H new ATOM 174 N PRO A 40 -7.798 -3.393 -2.567 1.00 0.00 N ATOM 175 CA PRO A 40 -9.155 -2.966 -2.255 1.00 0.00 C ATOM 176 C PRO A 40 -10.186 -3.948 -2.846 1.00 0.00 C ATOM 177 O PRO A 40 -10.896 -3.682 -3.815 1.00 0.00 O ATOM 178 CB PRO A 40 -9.286 -1.554 -2.819 1.00 0.00 C ATOM 179 CG PRO A 40 -8.212 -1.452 -3.890 1.00 0.00 C ATOM 180 CD PRO A 40 -7.145 -2.440 -3.453 1.00 0.00 C ATOM 0 HA PRO A 40 -9.351 -2.961 -1.183 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -10.278 -1.388 -3.239 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -9.139 -0.804 -2.042 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -8.607 -1.704 -4.874 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.813 -0.440 -3.957 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.710 -2.947 -4.314 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.331 -1.929 -2.940 1.00 0.00 H new ATOM 188 N GLY A 41 -10.239 -5.119 -2.234 1.00 0.00 N ATOM 189 CA GLY A 41 -11.029 -6.267 -2.590 1.00 0.00 C ATOM 190 C GLY A 41 -10.551 -7.416 -1.730 1.00 0.00 C ATOM 191 O GLY A 41 -11.321 -7.930 -0.924 1.00 0.00 O ATOM 0 H GLY A 41 -9.677 -5.298 -1.402 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -12.088 -6.074 -2.421 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -10.912 -6.502 -3.648 1.00 0.00 H new ATOM 195 N GLU A 42 -9.254 -7.736 -1.776 1.00 0.00 N ATOM 196 CA GLU A 42 -8.737 -8.909 -1.082 1.00 0.00 C ATOM 197 C GLU A 42 -8.775 -8.804 0.448 1.00 0.00 C ATOM 198 O GLU A 42 -8.508 -9.781 1.153 1.00 0.00 O ATOM 199 CB GLU A 42 -7.319 -9.260 -1.529 1.00 0.00 C ATOM 200 CG GLU A 42 -7.229 -9.963 -2.884 1.00 0.00 C ATOM 201 CD GLU A 42 -5.799 -10.457 -3.061 1.00 0.00 C ATOM 202 OE1 GLU A 42 -5.495 -11.549 -2.526 1.00 0.00 O ATOM 203 OE2 GLU A 42 -4.960 -9.739 -3.642 1.00 0.00 O ATOM 0 H GLU A 42 -8.551 -7.200 -2.284 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.420 -9.710 -1.367 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.729 -8.344 -1.571 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.863 -9.899 -0.773 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.929 -10.797 -2.928 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.498 -9.278 -3.688 1.00 0.00 H new ATOM 210 N ILE A 43 -9.081 -7.619 0.968 1.00 0.00 N ATOM 211 CA ILE A 43 -9.122 -7.316 2.383 1.00 0.00 C ATOM 212 C ILE A 43 -10.602 -7.231 2.819 1.00 0.00 C ATOM 213 O ILE A 43 -10.914 -7.404 3.998 1.00 0.00 O ATOM 214 CB ILE A 43 -8.283 -6.023 2.582 1.00 0.00 C ATOM 215 CG1 ILE A 43 -6.843 -6.211 2.013 1.00 0.00 C ATOM 216 CG2 ILE A 43 -8.239 -5.590 4.059 1.00 0.00 C ATOM 217 CD1 ILE A 43 -5.787 -5.226 2.513 1.00 0.00 C ATOM 0 H ILE A 43 -9.316 -6.815 0.386 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.682 -8.081 3.023 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.774 -5.224 2.027 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.510 -7.221 2.251 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.892 -6.139 0.926 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -7.643 -4.683 4.155 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.252 -5.397 4.412 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -7.791 -6.383 4.657 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.827 -5.455 2.049 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.084 -4.210 2.251 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.696 -5.309 3.596 1.00 0.00 H new ATOM 229 N LEU A 44 -11.514 -6.978 1.874 1.00 0.00 N ATOM 230 CA LEU A 44 -12.935 -6.755 2.050 1.00 0.00 C ATOM 231 C LEU A 44 -13.736 -8.034 1.843 1.00 0.00 C ATOM 232 O LEU A 44 -14.623 -8.344 2.636 1.00 0.00 O ATOM 233 CB LEU A 44 -13.391 -5.735 1.000 1.00 0.00 C ATOM 234 CG LEU A 44 -12.898 -4.332 1.336 1.00 0.00 C ATOM 235 CD1 LEU A 44 -11.540 -3.991 0.720 1.00 0.00 C ATOM 236 CD2 LEU A 44 -13.941 -3.329 0.898 1.00 0.00 C ATOM 0 H LEU A 44 -11.246 -6.921 0.892 1.00 0.00 H new ATOM 0 HA LEU A 44 -13.105 -6.401 3.067 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -13.017 -6.028 0.019 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -14.479 -5.735 0.939 1.00 0.00 H new ATOM 0 HG LEU A 44 -12.750 -4.292 2.415 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -11.256 -2.977 1.003 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -10.789 -4.693 1.083 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -11.606 -4.059 -0.366 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -13.598 -2.321 1.134 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -14.101 -3.416 -0.177 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -14.877 -3.526 1.421 1.00 0.00 H new ATOM 248 N TYR A 45 -13.439 -8.723 0.742 1.00 0.00 N ATOM 249 CA TYR A 45 -14.088 -9.937 0.276 1.00 0.00 C ATOM 250 C TYR A 45 -13.274 -11.115 0.811 1.00 0.00 C ATOM 251 O TYR A 45 -13.755 -11.860 1.659 1.00 0.00 O ATOM 252 CB TYR A 45 -14.174 -9.950 -1.263 1.00 0.00 C ATOM 253 CG TYR A 45 -15.084 -8.902 -1.897 1.00 0.00 C ATOM 254 CD1 TYR A 45 -14.724 -7.540 -1.892 1.00 0.00 C ATOM 255 CD2 TYR A 45 -16.244 -9.296 -2.593 1.00 0.00 C ATOM 256 CE1 TYR A 45 -15.519 -6.579 -2.531 1.00 0.00 C ATOM 257 CE2 TYR A 45 -17.025 -8.346 -3.280 1.00 0.00 C ATOM 258 CZ TYR A 45 -16.673 -6.980 -3.240 1.00 0.00 C ATOM 259 OH TYR A 45 -17.427 -6.074 -3.920 1.00 0.00 O ATOM 0 H TYR A 45 -12.691 -8.425 0.116 1.00 0.00 H new ATOM 0 HA TYR A 45 -15.114 -9.999 0.640 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -13.169 -9.818 -1.663 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -14.515 -10.936 -1.579 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -13.820 -7.231 -1.387 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -16.537 -10.335 -2.600 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -15.250 -5.534 -2.481 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -17.894 -8.663 -3.838 1.00 0.00 H new ATOM 0 HH TYR A 45 -16.922 -5.240 -4.023 1.00 0.00 H new ATOM 269 N GLY A 46 -12.021 -11.257 0.376 1.00 0.00 N ATOM 270 CA GLY A 46 -11.112 -12.339 0.739 1.00 0.00 C ATOM 271 C GLY A 46 -9.956 -12.376 -0.251 1.00 0.00 C ATOM 272 O GLY A 46 -10.073 -11.776 -1.317 1.00 0.00 O ATOM 0 H GLY A 46 -11.596 -10.590 -0.268 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.735 -12.189 1.751 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -11.641 -13.292 0.734 1.00 0.00 H new ATOM 276 N LYS A 47 -8.862 -13.078 0.080 1.00 0.00 N ATOM 277 CA LYS A 47 -7.646 -13.253 -0.738 1.00 0.00 C ATOM 278 C LYS A 47 -7.998 -13.686 -2.177 1.00 0.00 C ATOM 279 O LYS A 47 -9.143 -14.019 -2.453 1.00 0.00 O ATOM 280 CB LYS A 47 -6.754 -14.302 -0.040 1.00 0.00 C ATOM 281 CG LYS A 47 -5.225 -14.182 -0.202 1.00 0.00 C ATOM 282 CD LYS A 47 -4.565 -13.511 1.006 1.00 0.00 C ATOM 283 CE LYS A 47 -3.030 -13.652 1.017 1.00 0.00 C ATOM 284 NZ LYS A 47 -2.428 -14.036 2.317 1.00 0.00 N ATOM 0 H LYS A 47 -8.795 -13.566 0.973 1.00 0.00 H new ATOM 0 HA LYS A 47 -7.112 -12.306 -0.821 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -6.979 -14.274 1.026 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.051 -15.286 -0.403 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.797 -15.175 -0.342 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.001 -13.608 -1.101 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.826 -12.453 1.013 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.970 -13.945 1.920 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.747 -14.396 0.273 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.594 -12.704 0.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.420 -14.251 2.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.527 -13.250 2.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.915 -14.876 2.690 1.00 0.00 H new ATOM 385 N MET A 53 -7.478 -14.672 4.302 1.00 0.00 N ATOM 386 CA MET A 53 -7.632 -13.208 4.541 1.00 0.00 C ATOM 387 C MET A 53 -6.271 -12.528 4.861 1.00 0.00 C ATOM 388 O MET A 53 -5.210 -13.148 4.738 1.00 0.00 O ATOM 389 CB MET A 53 -8.699 -12.965 5.647 1.00 0.00 C ATOM 390 CG MET A 53 -10.085 -12.582 5.114 1.00 0.00 C ATOM 391 SD MET A 53 -10.579 -10.855 5.383 1.00 0.00 S ATOM 392 CE MET A 53 -11.528 -10.607 3.870 1.00 0.00 C ATOM 0 HA MET A 53 -7.987 -12.738 3.624 1.00 0.00 H new ATOM 0 HB2 MET A 53 -8.792 -13.868 6.251 1.00 0.00 H new ATOM 0 HB3 MET A 53 -8.346 -12.174 6.309 1.00 0.00 H new ATOM 0 HG2 MET A 53 -10.112 -12.786 4.044 1.00 0.00 H new ATOM 0 HG3 MET A 53 -10.826 -13.230 5.581 1.00 0.00 H new ATOM 0 HE1 MET A 53 -12.284 -9.840 4.037 1.00 0.00 H new ATOM 0 HE2 MET A 53 -10.860 -10.290 3.069 1.00 0.00 H new ATOM 0 HE3 MET A 53 -12.014 -11.541 3.588 1.00 0.00 H new ATOM 402 N PRO A 54 -6.187 -11.219 5.145 1.00 0.00 N ATOM 403 CA PRO A 54 -5.154 -10.672 6.021 1.00 0.00 C ATOM 404 C PRO A 54 -5.593 -10.800 7.480 1.00 0.00 C ATOM 405 O PRO A 54 -6.791 -10.819 7.760 1.00 0.00 O ATOM 406 CB PRO A 54 -5.048 -9.201 5.623 1.00 0.00 C ATOM 407 CG PRO A 54 -6.477 -8.856 5.204 1.00 0.00 C ATOM 408 CD PRO A 54 -7.054 -10.160 4.655 1.00 0.00 C ATOM 0 HA PRO A 54 -4.201 -11.192 5.924 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -4.710 -8.581 6.453 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.341 -9.053 4.807 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -7.059 -8.492 6.050 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -6.488 -8.071 4.448 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -8.079 -10.307 4.995 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -7.078 -10.148 3.565 1.00 0.00 H new ATOM 416 N GLU A 55 -4.651 -10.829 8.420 1.00 0.00 N ATOM 417 CA GLU A 55 -4.981 -10.514 9.800 1.00 0.00 C ATOM 418 C GLU A 55 -4.974 -8.999 9.970 1.00 0.00 C ATOM 419 O GLU A 55 -4.155 -8.302 9.375 1.00 0.00 O ATOM 420 CB GLU A 55 -3.997 -11.197 10.758 1.00 0.00 C ATOM 421 CG GLU A 55 -4.386 -12.666 10.954 1.00 0.00 C ATOM 422 CD GLU A 55 -4.292 -13.129 12.407 1.00 0.00 C ATOM 423 OE1 GLU A 55 -4.930 -12.484 13.280 1.00 0.00 O ATOM 424 OE2 GLU A 55 -3.677 -14.195 12.628 1.00 0.00 O ATOM 0 H GLU A 55 -3.672 -11.063 8.253 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.974 -10.891 10.043 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.985 -11.131 10.360 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.996 -10.682 11.719 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.405 -12.815 10.598 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.739 -13.291 10.339 1.00 0.00 H new ATOM 431 N VAL A 56 -5.877 -8.483 10.793 1.00 0.00 N ATOM 432 CA VAL A 56 -5.929 -7.063 11.129 1.00 0.00 C ATOM 433 C VAL A 56 -4.792 -6.672 12.077 1.00 0.00 C ATOM 434 O VAL A 56 -4.443 -5.501 12.163 1.00 0.00 O ATOM 435 CB VAL A 56 -7.357 -6.737 11.605 1.00 0.00 C ATOM 436 CG1 VAL A 56 -7.854 -7.643 12.729 1.00 0.00 C ATOM 437 CG2 VAL A 56 -7.550 -5.287 12.023 1.00 0.00 C ATOM 0 H VAL A 56 -6.599 -9.040 11.250 1.00 0.00 H new ATOM 0 HA VAL A 56 -5.743 -6.433 10.259 1.00 0.00 H new ATOM 0 HB VAL A 56 -7.959 -6.925 10.716 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -8.866 -7.352 13.010 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.855 -8.678 12.388 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -7.196 -7.546 13.592 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -8.580 -5.135 12.345 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -6.874 -5.052 12.845 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -7.334 -4.633 11.178 1.00 0.00 H new ATOM 447 N GLY A 57 -4.135 -7.638 12.710 1.00 0.00 N ATOM 448 CA GLY A 57 -2.935 -7.425 13.498 1.00 0.00 C ATOM 449 C GLY A 57 -1.683 -7.863 12.749 1.00 0.00 C ATOM 450 O GLY A 57 -0.805 -8.434 13.398 1.00 0.00 O ATOM 0 H GLY A 57 -4.433 -8.613 12.686 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.853 -6.370 13.758 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.011 -7.979 14.434 1.00 0.00 H new ATOM 454 N GLN A 58 -1.573 -7.666 11.424 1.00 0.00 N ATOM 455 CA GLN A 58 -0.325 -7.984 10.717 1.00 0.00 C ATOM 456 C GLN A 58 0.062 -6.906 9.705 1.00 0.00 C ATOM 457 O GLN A 58 -0.717 -5.999 9.402 1.00 0.00 O ATOM 458 CB GLN A 58 -0.383 -9.378 10.059 1.00 0.00 C ATOM 459 CG GLN A 58 -1.280 -9.426 8.820 1.00 0.00 C ATOM 460 CD GLN A 58 -0.971 -10.532 7.832 1.00 0.00 C ATOM 461 OE1 GLN A 58 -0.289 -11.502 8.123 1.00 0.00 O ATOM 462 NE2 GLN A 58 -1.480 -10.412 6.620 1.00 0.00 N ATOM 0 H GLN A 58 -2.317 -7.296 10.833 1.00 0.00 H new ATOM 0 HA GLN A 58 0.462 -8.006 11.471 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.626 -9.683 9.781 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.745 -10.102 10.789 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -2.315 -9.533 9.146 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.206 -8.470 8.302 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.049 -9.599 6.384 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.304 -11.132 5.920 1.00 0.00 H new ATOM 471 N ARG A 59 1.252 -7.073 9.116 1.00 0.00 N ATOM 472 CA ARG A 59 1.854 -6.158 8.152 1.00 0.00 C ATOM 473 C ARG A 59 1.801 -6.757 6.754 1.00 0.00 C ATOM 474 O ARG A 59 1.984 -7.968 6.592 1.00 0.00 O ATOM 475 CB ARG A 59 3.261 -5.750 8.616 1.00 0.00 C ATOM 476 CG ARG A 59 4.314 -6.874 8.646 1.00 0.00 C ATOM 477 CD ARG A 59 5.531 -6.385 9.444 1.00 0.00 C ATOM 478 NE ARG A 59 6.806 -6.939 8.957 1.00 0.00 N ATOM 479 CZ ARG A 59 7.581 -7.855 9.554 1.00 0.00 C ATOM 480 NH1 ARG A 59 7.147 -8.553 10.596 1.00 0.00 N ATOM 481 NH2 ARG A 59 8.804 -8.088 9.086 1.00 0.00 N ATOM 0 H ARG A 59 1.841 -7.883 9.309 1.00 0.00 H new ATOM 0 HA ARG A 59 1.280 -5.233 8.098 1.00 0.00 H new ATOM 0 HB2 ARG A 59 3.623 -4.958 7.961 1.00 0.00 H new ATOM 0 HB3 ARG A 59 3.183 -5.325 9.617 1.00 0.00 H new ATOM 0 HG2 ARG A 59 3.897 -7.771 9.104 1.00 0.00 H new ATOM 0 HG3 ARG A 59 4.610 -7.142 7.632 1.00 0.00 H new ATOM 0 HD2 ARG A 59 5.574 -5.297 9.398 1.00 0.00 H new ATOM 0 HD3 ARG A 59 5.402 -6.655 10.492 1.00 0.00 H new ATOM 0 HE ARG A 59 7.138 -6.584 8.060 1.00 0.00 H new ATOM 0 HH11 ARG A 59 6.206 -8.397 10.958 1.00 0.00 H new ATOM 0 HH12 ARG A 59 7.754 -9.245 11.035 1.00 0.00 H new ATOM 0 HH21 ARG A 59 9.148 -7.571 8.277 1.00 0.00 H new ATOM 0 HH22 ARG A 59 9.398 -8.784 9.536 1.00 0.00 H new ATOM 495 N LEU A 60 1.489 -5.938 5.750 1.00 0.00 N ATOM 496 CA LEU A 60 1.210 -6.364 4.387 1.00 0.00 C ATOM 497 C LEU A 60 1.437 -5.242 3.379 1.00 0.00 C ATOM 498 O LEU A 60 1.534 -4.067 3.743 1.00 0.00 O ATOM 499 CB LEU A 60 -0.217 -6.951 4.249 1.00 0.00 C ATOM 500 CG LEU A 60 -1.465 -6.255 4.846 1.00 0.00 C ATOM 501 CD1 LEU A 60 -1.485 -6.288 6.364 1.00 0.00 C ATOM 502 CD2 LEU A 60 -1.747 -4.813 4.430 1.00 0.00 C ATOM 0 H LEU A 60 1.422 -4.927 5.871 1.00 0.00 H new ATOM 0 HA LEU A 60 1.920 -7.159 4.158 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.405 -7.066 3.181 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.185 -7.953 4.677 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.251 -6.867 4.404 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.382 -5.786 6.727 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.485 -7.323 6.705 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.602 -5.779 6.751 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.651 -4.461 4.927 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.906 -4.181 4.715 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.886 -4.766 3.350 1.00 0.00 H new ATOM 514 N ARG A 61 1.457 -5.614 2.097 1.00 0.00 N ATOM 515 CA ARG A 61 1.364 -4.725 0.941 1.00 0.00 C ATOM 516 C ARG A 61 -0.062 -4.726 0.403 1.00 0.00 C ATOM 517 O ARG A 61 -0.742 -5.752 0.468 1.00 0.00 O ATOM 518 CB ARG A 61 2.361 -5.181 -0.147 1.00 0.00 C ATOM 519 CG ARG A 61 3.552 -4.225 -0.170 1.00 0.00 C ATOM 520 CD ARG A 61 4.685 -4.622 -1.115 1.00 0.00 C ATOM 521 NE ARG A 61 5.564 -5.651 -0.541 1.00 0.00 N ATOM 522 CZ ARG A 61 6.750 -6.016 -1.045 1.00 0.00 C ATOM 523 NH1 ARG A 61 7.286 -5.404 -2.097 1.00 0.00 N ATOM 524 NH2 ARG A 61 7.404 -7.012 -0.468 1.00 0.00 N ATOM 0 H ARG A 61 1.543 -6.593 1.825 1.00 0.00 H new ATOM 0 HA ARG A 61 1.619 -3.708 1.240 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.699 -6.197 0.056 1.00 0.00 H new ATOM 0 HB3 ARG A 61 1.873 -5.196 -1.121 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.197 -3.234 -0.451 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.954 -4.146 0.840 1.00 0.00 H new ATOM 0 HD2 ARG A 61 4.262 -4.991 -2.049 1.00 0.00 H new ATOM 0 HD3 ARG A 61 5.276 -3.739 -1.359 1.00 0.00 H new ATOM 0 HE ARG A 61 5.246 -6.123 0.306 1.00 0.00 H new ATOM 0 HH11 ARG A 61 6.792 -4.632 -2.544 1.00 0.00 H new ATOM 0 HH12 ARG A 61 8.191 -5.707 -2.456 1.00 0.00 H new ATOM 0 HH21 ARG A 61 7.003 -7.484 0.343 1.00 0.00 H new ATOM 0 HH22 ARG A 61 8.309 -7.308 -0.834 1.00 0.00 H new ATOM 538 N VAL A 62 -0.482 -3.615 -0.191 1.00 0.00 N ATOM 539 CA VAL A 62 -1.691 -3.453 -0.982 1.00 0.00 C ATOM 540 C VAL A 62 -1.279 -2.786 -2.292 1.00 0.00 C ATOM 541 O VAL A 62 -0.328 -2.008 -2.310 1.00 0.00 O ATOM 542 CB VAL A 62 -2.724 -2.618 -0.186 1.00 0.00 C ATOM 543 CG1 VAL A 62 -3.836 -1.967 -1.025 1.00 0.00 C ATOM 544 CG2 VAL A 62 -3.432 -3.504 0.838 1.00 0.00 C ATOM 0 H VAL A 62 0.050 -2.747 -0.127 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.170 -4.407 -1.203 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.129 -1.821 0.260 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -4.504 -1.407 -0.371 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -3.392 -1.291 -1.756 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.401 -2.741 -1.544 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.157 -2.910 1.394 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.946 -4.315 0.323 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.698 -3.920 1.528 1.00 0.00 H new ATOM 554 N GLY A 63 -2.033 -2.978 -3.370 1.00 0.00 N ATOM 555 CA GLY A 63 -2.049 -2.024 -4.469 1.00 0.00 C ATOM 556 C GLY A 63 -3.473 -1.803 -4.928 1.00 0.00 C ATOM 557 O GLY A 63 -4.309 -2.698 -4.784 1.00 0.00 O ATOM 0 H GLY A 63 -2.640 -3.786 -3.504 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.608 -1.079 -4.150 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.443 -2.396 -5.295 1.00 0.00 H new ATOM 561 N GLY A 64 -3.730 -0.626 -5.488 1.00 0.00 N ATOM 562 CA GLY A 64 -5.038 -0.208 -5.968 1.00 0.00 C ATOM 563 C GLY A 64 -4.930 1.172 -6.607 1.00 0.00 C ATOM 564 O GLY A 64 -3.842 1.758 -6.642 1.00 0.00 O ATOM 0 H GLY A 64 -3.010 0.084 -5.624 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -5.417 -0.927 -6.694 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -5.749 -0.183 -5.142 1.00 0.00 H new ATOM 568 N MET A 65 -6.049 1.694 -7.108 1.00 0.00 N ATOM 569 CA MET A 65 -6.103 2.963 -7.826 1.00 0.00 C ATOM 570 C MET A 65 -6.631 4.049 -6.901 1.00 0.00 C ATOM 571 O MET A 65 -7.618 3.812 -6.224 1.00 0.00 O ATOM 572 CB MET A 65 -7.003 2.780 -9.045 1.00 0.00 C ATOM 573 CG MET A 65 -6.884 3.954 -10.021 1.00 0.00 C ATOM 574 SD MET A 65 -7.623 3.665 -11.647 1.00 0.00 S ATOM 575 CE MET A 65 -6.756 2.140 -12.104 1.00 0.00 C ATOM 0 H MET A 65 -6.957 1.238 -7.024 1.00 0.00 H new ATOM 0 HA MET A 65 -5.111 3.267 -8.159 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.739 1.854 -9.556 1.00 0.00 H new ATOM 0 HB3 MET A 65 -8.039 2.681 -8.720 1.00 0.00 H new ATOM 0 HG2 MET A 65 -7.355 4.829 -9.574 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.829 4.192 -10.154 1.00 0.00 H new ATOM 0 HE1 MET A 65 -6.680 2.076 -13.189 1.00 0.00 H new ATOM 0 HE2 MET A 65 -5.756 2.146 -11.670 1.00 0.00 H new ATOM 0 HE3 MET A 65 -7.310 1.280 -11.727 1.00 0.00 H new ATOM 585 N VAL A 66 -5.972 5.200 -6.789 1.00 0.00 N ATOM 586 CA VAL A 66 -6.377 6.260 -5.857 1.00 0.00 C ATOM 587 C VAL A 66 -7.698 6.859 -6.355 1.00 0.00 C ATOM 588 O VAL A 66 -7.744 7.303 -7.506 1.00 0.00 O ATOM 589 CB VAL A 66 -5.262 7.323 -5.806 1.00 0.00 C ATOM 590 CG1 VAL A 66 -5.607 8.544 -4.943 1.00 0.00 C ATOM 591 CG2 VAL A 66 -3.965 6.720 -5.261 1.00 0.00 C ATOM 0 H VAL A 66 -5.143 5.428 -7.339 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.527 5.870 -4.850 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.145 7.658 -6.837 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.774 9.247 -4.957 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.498 9.030 -5.340 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.795 8.224 -3.918 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.191 7.487 -5.233 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.136 6.340 -4.254 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.644 5.903 -5.907 1.00 0.00 H new ATOM 601 N MET A 67 -8.748 6.899 -5.523 1.00 0.00 N ATOM 602 CA MET A 67 -10.014 7.530 -5.896 1.00 0.00 C ATOM 603 C MET A 67 -9.784 8.996 -6.276 1.00 0.00 C ATOM 604 O MET A 67 -9.015 9.700 -5.609 1.00 0.00 O ATOM 605 CB MET A 67 -11.057 7.440 -4.769 1.00 0.00 C ATOM 606 CG MET A 67 -11.989 6.237 -4.918 1.00 0.00 C ATOM 607 SD MET A 67 -13.494 6.369 -3.920 1.00 0.00 S ATOM 608 CE MET A 67 -13.606 4.669 -3.315 1.00 0.00 C ATOM 0 H MET A 67 -8.741 6.499 -4.585 1.00 0.00 H new ATOM 0 HA MET A 67 -10.406 6.987 -6.756 1.00 0.00 H new ATOM 0 HB2 MET A 67 -10.544 7.379 -3.809 1.00 0.00 H new ATOM 0 HB3 MET A 67 -11.651 8.354 -4.756 1.00 0.00 H new ATOM 0 HG2 MET A 67 -12.265 6.128 -5.967 1.00 0.00 H new ATOM 0 HG3 MET A 67 -11.451 5.332 -4.634 1.00 0.00 H new ATOM 0 HE1 MET A 67 -14.547 4.534 -2.781 1.00 0.00 H new ATOM 0 HE2 MET A 67 -13.565 3.979 -4.158 1.00 0.00 H new ATOM 0 HE3 MET A 67 -12.774 4.467 -2.641 1.00 0.00 H new ATOM 618 N PRO A 68 -10.458 9.472 -7.331 1.00 0.00 N ATOM 619 CA PRO A 68 -10.388 10.852 -7.762 1.00 0.00 C ATOM 620 C PRO A 68 -11.127 11.697 -6.723 1.00 0.00 C ATOM 621 O PRO A 68 -12.282 11.411 -6.407 1.00 0.00 O ATOM 622 CB PRO A 68 -11.035 10.852 -9.148 1.00 0.00 C ATOM 623 CG PRO A 68 -12.075 9.730 -9.061 1.00 0.00 C ATOM 624 CD PRO A 68 -11.481 8.748 -8.070 1.00 0.00 C ATOM 0 HA PRO A 68 -9.385 11.273 -7.836 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -11.499 11.812 -9.374 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -10.303 10.660 -9.932 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -13.039 10.106 -8.719 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -12.241 9.264 -10.032 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -12.248 8.365 -7.397 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -11.052 7.889 -8.586 1.00 0.00 H new ATOM 632 N GLY A 69 -10.465 12.707 -6.159 1.00 0.00 N ATOM 633 CA GLY A 69 -10.974 13.412 -4.995 1.00 0.00 C ATOM 634 C GLY A 69 -11.110 12.452 -3.817 1.00 0.00 C ATOM 635 O GLY A 69 -12.222 12.187 -3.372 1.00 0.00 O ATOM 0 H GLY A 69 -9.567 13.054 -6.497 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.302 14.229 -4.732 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.942 13.857 -5.225 1.00 0.00 H new ATOM 639 N SER A 70 -9.989 11.924 -3.321 1.00 0.00 N ATOM 640 CA SER A 70 -9.947 11.210 -2.044 1.00 0.00 C ATOM 641 C SER A 70 -8.750 11.627 -1.197 1.00 0.00 C ATOM 642 O SER A 70 -8.842 11.648 0.022 1.00 0.00 O ATOM 643 CB SER A 70 -9.934 9.697 -2.273 1.00 0.00 C ATOM 644 OG SER A 70 -8.767 9.293 -2.977 1.00 0.00 O ATOM 0 H SER A 70 -9.086 11.979 -3.793 1.00 0.00 H new ATOM 0 HA SER A 70 -10.849 11.478 -1.494 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.980 9.181 -1.314 1.00 0.00 H new ATOM 0 HB3 SER A 70 -10.821 9.404 -2.835 1.00 0.00 H new ATOM 0 HG SER A 70 -8.941 9.318 -3.941 1.00 0.00 H new ATOM 650 N VAL A 71 -7.607 11.927 -1.811 1.00 0.00 N ATOM 651 CA VAL A 71 -6.375 12.221 -1.100 1.00 0.00 C ATOM 652 C VAL A 71 -6.483 13.582 -0.387 1.00 0.00 C ATOM 653 O VAL A 71 -6.453 14.643 -1.016 1.00 0.00 O ATOM 654 CB VAL A 71 -5.149 11.997 -2.015 1.00 0.00 C ATOM 655 CG1 VAL A 71 -5.382 12.318 -3.487 1.00 0.00 C ATOM 656 CG2 VAL A 71 -3.902 12.677 -1.464 1.00 0.00 C ATOM 0 H VAL A 71 -7.514 11.972 -2.826 1.00 0.00 H new ATOM 0 HA VAL A 71 -6.210 11.515 -0.286 1.00 0.00 H new ATOM 0 HB VAL A 71 -4.978 10.921 -1.999 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.467 12.131 -4.049 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -6.182 11.687 -3.875 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -5.663 13.366 -3.591 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.062 12.496 -2.135 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -4.078 13.750 -1.384 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.672 12.272 -0.478 1.00 0.00 H new ATOM 666 N GLN A 72 -6.604 13.515 0.937 1.00 0.00 N ATOM 667 CA GLN A 72 -6.638 14.552 1.959 1.00 0.00 C ATOM 668 C GLN A 72 -5.209 14.792 2.464 1.00 0.00 C ATOM 669 O GLN A 72 -4.879 14.514 3.617 1.00 0.00 O ATOM 670 CB GLN A 72 -7.528 14.045 3.115 1.00 0.00 C ATOM 671 CG GLN A 72 -8.991 13.799 2.736 1.00 0.00 C ATOM 672 CD GLN A 72 -9.537 12.513 3.357 1.00 0.00 C ATOM 673 OE1 GLN A 72 -9.634 12.341 4.568 1.00 0.00 O ATOM 674 NE2 GLN A 72 -9.923 11.563 2.525 1.00 0.00 N ATOM 0 H GLN A 72 -6.693 12.599 1.376 1.00 0.00 H new ATOM 0 HA GLN A 72 -7.038 15.485 1.562 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -7.106 13.117 3.500 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -7.494 14.772 3.927 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -9.597 14.644 3.062 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -9.080 13.743 1.651 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -9.843 11.704 1.518 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -10.301 10.688 2.889 1.00 0.00 H new ATOM 683 N ARG A 73 -4.302 15.186 1.574 1.00 0.00 N ATOM 684 CA ARG A 73 -2.919 15.546 1.921 1.00 0.00 C ATOM 685 C ARG A 73 -2.876 16.918 2.589 1.00 0.00 C ATOM 686 O ARG A 73 -3.861 17.657 2.517 1.00 0.00 O ATOM 687 CB ARG A 73 -2.003 15.429 0.689 1.00 0.00 C ATOM 688 CG ARG A 73 -2.525 16.261 -0.475 1.00 0.00 C ATOM 689 CD ARG A 73 -1.626 16.146 -1.722 1.00 0.00 C ATOM 690 NE ARG A 73 -1.370 17.453 -2.356 1.00 0.00 N ATOM 691 CZ ARG A 73 -0.272 18.210 -2.213 1.00 0.00 C ATOM 692 NH1 ARG A 73 0.755 17.804 -1.473 1.00 0.00 N ATOM 693 NH2 ARG A 73 -0.206 19.390 -2.815 1.00 0.00 N ATOM 0 H ARG A 73 -4.504 15.267 0.577 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.531 14.839 2.654 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -0.997 15.757 0.950 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.929 14.384 0.387 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -3.535 15.938 -0.726 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -2.591 17.306 -0.172 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -0.677 15.690 -1.441 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -2.097 15.481 -2.446 1.00 0.00 H new ATOM 0 HE ARG A 73 -2.102 17.818 -2.965 1.00 0.00 H new ATOM 0 HH11 ARG A 73 0.718 16.901 -1.000 1.00 0.00 H new ATOM 0 HH12 ARG A 73 1.580 18.396 -1.378 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -0.988 19.717 -3.383 1.00 0.00 H new ATOM 0 HH22 ARG A 73 0.626 19.970 -2.710 1.00 0.00 H new ATOM 758 N LEU A 78 1.972 17.331 6.484 1.00 0.00 N ATOM 759 CA LEU A 78 2.456 16.112 5.860 1.00 0.00 C ATOM 760 C LEU A 78 1.544 14.901 6.030 1.00 0.00 C ATOM 761 O LEU A 78 1.570 14.014 5.175 1.00 0.00 O ATOM 762 CB LEU A 78 3.858 15.792 6.363 1.00 0.00 C ATOM 763 CG LEU A 78 4.925 16.861 6.057 1.00 0.00 C ATOM 764 CD1 LEU A 78 5.268 17.674 7.316 1.00 0.00 C ATOM 765 CD2 LEU A 78 6.196 16.192 5.518 1.00 0.00 C ATOM 0 HA LEU A 78 2.469 16.314 4.789 1.00 0.00 H new ATOM 0 HB2 LEU A 78 3.814 15.644 7.442 1.00 0.00 H new ATOM 0 HB3 LEU A 78 4.177 14.847 5.924 1.00 0.00 H new ATOM 0 HG LEU A 78 4.520 17.539 5.306 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.023 18.421 7.072 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.371 18.172 7.683 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.654 17.006 8.086 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.945 16.954 5.304 1.00 0.00 H new ATOM 0 HD22 LEU A 78 6.586 15.498 6.263 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.961 15.648 4.603 1.00 0.00 H new ATOM 777 N LYS A 79 0.706 14.849 7.059 1.00 0.00 N ATOM 778 CA LYS A 79 -0.356 13.875 7.215 1.00 0.00 C ATOM 779 C LYS A 79 -1.212 13.913 5.964 1.00 0.00 C ATOM 780 O LYS A 79 -1.660 14.982 5.542 1.00 0.00 O ATOM 781 CB LYS A 79 -1.168 14.198 8.479 1.00 0.00 C ATOM 782 CG LYS A 79 -1.214 12.995 9.433 1.00 0.00 C ATOM 783 CD LYS A 79 -2.179 11.889 8.976 1.00 0.00 C ATOM 784 CE LYS A 79 -2.570 11.021 10.180 1.00 0.00 C ATOM 785 NZ LYS A 79 -3.724 10.146 9.893 1.00 0.00 N ATOM 0 H LYS A 79 0.753 15.511 7.834 1.00 0.00 H new ATOM 0 HA LYS A 79 0.044 12.868 7.337 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -0.726 15.053 8.990 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -2.182 14.483 8.200 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.212 12.577 9.527 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -1.510 13.338 10.424 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -3.069 12.331 8.528 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -1.708 11.275 8.209 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -1.718 10.409 10.475 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -2.808 11.665 11.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -4.077 9.735 10.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -4.479 10.703 9.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -3.430 9.383 9.251 1.00 0.00 H new ATOM 799 N VAL A 80 -1.409 12.759 5.350 1.00 0.00 N ATOM 800 CA VAL A 80 -2.213 12.606 4.163 1.00 0.00 C ATOM 801 C VAL A 80 -3.127 11.418 4.428 1.00 0.00 C ATOM 802 O VAL A 80 -2.714 10.432 5.047 1.00 0.00 O ATOM 803 CB VAL A 80 -1.301 12.471 2.934 1.00 0.00 C ATOM 804 CG1 VAL A 80 -0.105 11.547 3.132 1.00 0.00 C ATOM 805 CG2 VAL A 80 -2.078 11.994 1.713 1.00 0.00 C ATOM 0 H VAL A 80 -1.001 11.883 5.677 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.838 13.471 3.939 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.915 13.478 2.778 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.483 11.511 2.215 1.00 0.00 H new ATOM 0 HG12 VAL A 80 0.515 11.923 3.946 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.456 10.545 3.377 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -1.402 11.910 0.862 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.522 11.021 1.922 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.866 12.710 1.481 1.00 0.00 H new ATOM 815 N THR A 81 -4.337 11.454 3.891 1.00 0.00 N ATOM 816 CA THR A 81 -5.254 10.332 4.029 1.00 0.00 C ATOM 817 C THR A 81 -5.849 10.093 2.652 1.00 0.00 C ATOM 818 O THR A 81 -6.344 11.058 2.079 1.00 0.00 O ATOM 819 CB THR A 81 -6.291 10.625 5.124 1.00 0.00 C ATOM 820 OG1 THR A 81 -5.708 11.215 6.276 1.00 0.00 O ATOM 821 CG2 THR A 81 -6.877 9.296 5.559 1.00 0.00 C ATOM 0 H THR A 81 -4.706 12.242 3.359 1.00 0.00 H new ATOM 0 HA THR A 81 -4.758 9.418 4.357 1.00 0.00 H new ATOM 0 HB THR A 81 -7.030 11.314 4.716 1.00 0.00 H new ATOM 0 HG1 THR A 81 -6.404 11.385 6.944 1.00 0.00 H new ATOM 0 HG21 THR A 81 -7.620 9.464 6.339 1.00 0.00 H new ATOM 0 HG22 THR A 81 -7.350 8.810 4.706 1.00 0.00 H new ATOM 0 HG23 THR A 81 -6.083 8.657 5.946 1.00 0.00 H new ATOM 829 N PHE A 82 -5.751 8.897 2.059 1.00 0.00 N ATOM 830 CA PHE A 82 -6.377 8.678 0.754 1.00 0.00 C ATOM 831 C PHE A 82 -7.187 7.399 0.766 1.00 0.00 C ATOM 832 O PHE A 82 -7.116 6.627 1.720 1.00 0.00 O ATOM 833 CB PHE A 82 -5.358 8.750 -0.389 1.00 0.00 C ATOM 834 CG PHE A 82 -4.273 7.700 -0.513 1.00 0.00 C ATOM 835 CD1 PHE A 82 -3.083 7.864 0.208 1.00 0.00 C ATOM 836 CD2 PHE A 82 -4.375 6.619 -1.407 1.00 0.00 C ATOM 837 CE1 PHE A 82 -1.951 7.089 -0.056 1.00 0.00 C ATOM 838 CE2 PHE A 82 -3.261 5.787 -1.627 1.00 0.00 C ATOM 839 CZ PHE A 82 -2.028 6.052 -1.001 1.00 0.00 C ATOM 0 H PHE A 82 -5.261 8.091 2.448 1.00 0.00 H new ATOM 0 HA PHE A 82 -7.076 9.491 0.561 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -5.920 8.745 -1.323 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -4.863 9.719 -0.320 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -3.040 8.609 0.988 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -5.304 6.428 -1.923 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -1.024 7.285 0.462 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -3.353 4.935 -2.284 1.00 0.00 H new ATOM 0 HZ PHE A 82 -1.154 5.466 -1.244 1.00 0.00 H new ATOM 849 N THR A 83 -7.916 7.149 -0.315 1.00 0.00 N ATOM 850 CA THR A 83 -8.634 5.896 -0.480 1.00 0.00 C ATOM 851 C THR A 83 -8.223 5.345 -1.844 1.00 0.00 C ATOM 852 O THR A 83 -8.000 6.099 -2.798 1.00 0.00 O ATOM 853 CB THR A 83 -10.144 6.132 -0.281 1.00 0.00 C ATOM 854 OG1 THR A 83 -10.383 6.745 0.982 1.00 0.00 O ATOM 855 CG2 THR A 83 -10.955 4.838 -0.367 1.00 0.00 C ATOM 0 H THR A 83 -8.024 7.801 -1.092 1.00 0.00 H new ATOM 0 HA THR A 83 -8.385 5.143 0.268 1.00 0.00 H new ATOM 0 HB THR A 83 -10.469 6.787 -1.089 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.411 6.057 1.679 1.00 0.00 H new ATOM 0 HG21 THR A 83 -12.012 5.061 -0.220 1.00 0.00 H new ATOM 0 HG22 THR A 83 -10.813 4.384 -1.348 1.00 0.00 H new ATOM 0 HG23 THR A 83 -10.619 4.146 0.405 1.00 0.00 H new ATOM 863 N ILE A 84 -8.056 4.030 -1.919 1.00 0.00 N ATOM 864 CA ILE A 84 -7.635 3.289 -3.096 1.00 0.00 C ATOM 865 C ILE A 84 -8.735 2.267 -3.386 1.00 0.00 C ATOM 866 O ILE A 84 -9.286 1.695 -2.450 1.00 0.00 O ATOM 867 CB ILE A 84 -6.231 2.648 -2.908 1.00 0.00 C ATOM 868 CG1 ILE A 84 -5.681 2.620 -1.477 1.00 0.00 C ATOM 869 CG2 ILE A 84 -5.204 3.368 -3.794 1.00 0.00 C ATOM 870 CD1 ILE A 84 -4.448 1.709 -1.350 1.00 0.00 C ATOM 0 H ILE A 84 -8.220 3.422 -1.116 1.00 0.00 H new ATOM 0 HA ILE A 84 -7.512 3.950 -3.954 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.381 1.606 -3.192 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.417 3.632 -1.171 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -6.459 2.274 -0.797 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.223 2.913 -3.657 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -5.501 3.282 -4.839 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -5.158 4.421 -3.516 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.092 1.720 -0.320 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.718 0.691 -1.630 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -3.659 2.070 -2.010 1.00 0.00 H new ATOM 882 N TYR A 85 -9.082 2.042 -4.651 1.00 0.00 N ATOM 883 CA TYR A 85 -10.240 1.259 -5.065 1.00 0.00 C ATOM 884 C TYR A 85 -9.907 0.362 -6.259 1.00 0.00 C ATOM 885 O TYR A 85 -8.816 0.431 -6.846 1.00 0.00 O ATOM 886 CB TYR A 85 -11.421 2.198 -5.365 1.00 0.00 C ATOM 887 CG TYR A 85 -11.280 2.915 -6.690 1.00 0.00 C ATOM 888 CD1 TYR A 85 -10.446 4.037 -6.796 1.00 0.00 C ATOM 889 CD2 TYR A 85 -11.877 2.384 -7.843 1.00 0.00 C ATOM 890 CE1 TYR A 85 -10.177 4.619 -8.043 1.00 0.00 C ATOM 891 CE2 TYR A 85 -11.625 2.965 -9.093 1.00 0.00 C ATOM 892 CZ TYR A 85 -10.781 4.090 -9.206 1.00 0.00 C ATOM 893 OH TYR A 85 -10.535 4.613 -10.438 1.00 0.00 O ATOM 0 H TYR A 85 -8.548 2.411 -5.438 1.00 0.00 H new ATOM 0 HA TYR A 85 -10.528 0.597 -4.249 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -12.346 1.621 -5.366 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -11.505 2.935 -4.566 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -10.005 4.459 -5.905 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -12.531 1.528 -7.767 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -9.512 5.467 -8.114 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -12.081 2.548 -9.978 1.00 0.00 H new ATOM 0 HH TYR A 85 -9.653 4.318 -10.748 1.00 0.00 H new ATOM 903 N ASP A 86 -10.860 -0.503 -6.597 1.00 0.00 N ATOM 904 CA ASP A 86 -10.825 -1.426 -7.732 1.00 0.00 C ATOM 905 C ASP A 86 -12.259 -1.813 -8.119 1.00 0.00 C ATOM 906 O ASP A 86 -13.209 -1.162 -7.686 1.00 0.00 O ATOM 907 CB ASP A 86 -9.979 -2.655 -7.364 1.00 0.00 C ATOM 908 CG ASP A 86 -9.483 -3.397 -8.598 1.00 0.00 C ATOM 909 OD1 ASP A 86 -8.427 -2.999 -9.137 1.00 0.00 O ATOM 910 OD2 ASP A 86 -10.098 -4.412 -8.992 1.00 0.00 O ATOM 0 H ASP A 86 -11.723 -0.584 -6.060 1.00 0.00 H new ATOM 0 HA ASP A 86 -10.363 -0.949 -8.596 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -9.126 -2.341 -6.763 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -10.571 -3.332 -6.748 1.00 0.00 H new ATOM 915 N ALA A 87 -12.442 -2.855 -8.934 1.00 0.00 N ATOM 916 CA ALA A 87 -13.735 -3.388 -9.337 1.00 0.00 C ATOM 917 C ALA A 87 -14.520 -4.027 -8.186 1.00 0.00 C ATOM 918 O ALA A 87 -15.699 -4.320 -8.382 1.00 0.00 O ATOM 919 CB ALA A 87 -13.505 -4.452 -10.418 1.00 0.00 C ATOM 0 H ALA A 87 -11.660 -3.366 -9.344 1.00 0.00 H new ATOM 0 HA ALA A 87 -14.328 -2.549 -9.701 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -14.464 -4.864 -10.733 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -13.006 -3.999 -11.274 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -12.882 -5.251 -10.016 1.00 0.00 H new ATOM 925 N GLU A 88 -13.891 -4.275 -7.032 1.00 0.00 N ATOM 926 CA GLU A 88 -14.478 -5.019 -5.928 1.00 0.00 C ATOM 927 C GLU A 88 -14.939 -4.001 -4.898 1.00 0.00 C ATOM 928 O GLU A 88 -16.139 -3.863 -4.665 1.00 0.00 O ATOM 929 CB GLU A 88 -13.507 -6.028 -5.277 1.00 0.00 C ATOM 930 CG GLU A 88 -12.331 -6.522 -6.120 1.00 0.00 C ATOM 931 CD GLU A 88 -12.638 -7.645 -7.108 1.00 0.00 C ATOM 932 OE1 GLU A 88 -13.658 -8.345 -6.972 1.00 0.00 O ATOM 933 OE2 GLU A 88 -11.702 -7.973 -7.883 1.00 0.00 O ATOM 0 H GLU A 88 -12.941 -3.955 -6.842 1.00 0.00 H new ATOM 0 HA GLU A 88 -15.304 -5.617 -6.314 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -13.104 -5.571 -4.373 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -14.085 -6.897 -4.965 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -11.928 -5.676 -6.677 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -11.545 -6.863 -5.446 1.00 0.00 H new ATOM 940 N GLY A 89 -13.995 -3.297 -4.266 1.00 0.00 N ATOM 941 CA GLY A 89 -14.296 -2.411 -3.156 1.00 0.00 C ATOM 942 C GLY A 89 -13.361 -1.213 -3.123 1.00 0.00 C ATOM 943 O GLY A 89 -12.867 -0.780 -4.172 1.00 0.00 O ATOM 0 H GLY A 89 -13.006 -3.330 -4.514 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -15.327 -2.066 -3.235 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -14.215 -2.962 -2.219 1.00 0.00 H new ATOM 947 N SER A 90 -13.137 -0.661 -1.931 1.00 0.00 N ATOM 948 CA SER A 90 -12.089 0.311 -1.680 1.00 0.00 C ATOM 949 C SER A 90 -11.432 0.045 -0.326 1.00 0.00 C ATOM 950 O SER A 90 -11.942 -0.738 0.469 1.00 0.00 O ATOM 951 CB SER A 90 -12.627 1.729 -1.869 1.00 0.00 C ATOM 952 OG SER A 90 -13.572 2.134 -0.888 1.00 0.00 O ATOM 0 H SER A 90 -13.691 -0.884 -1.104 1.00 0.00 H new ATOM 0 HA SER A 90 -11.288 0.207 -2.412 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.790 2.427 -1.859 1.00 0.00 H new ATOM 0 HB3 SER A 90 -13.090 1.801 -2.853 1.00 0.00 H new ATOM 0 HG SER A 90 -13.867 3.050 -1.076 1.00 0.00 H new ATOM 958 N VAL A 91 -10.292 0.670 -0.052 1.00 0.00 N ATOM 959 CA VAL A 91 -9.600 0.602 1.215 1.00 0.00 C ATOM 960 C VAL A 91 -9.039 1.982 1.482 1.00 0.00 C ATOM 961 O VAL A 91 -8.616 2.700 0.571 1.00 0.00 O ATOM 962 CB VAL A 91 -8.546 -0.514 1.171 1.00 0.00 C ATOM 963 CG1 VAL A 91 -7.376 -0.266 0.206 1.00 0.00 C ATOM 964 CG2 VAL A 91 -7.980 -0.892 2.535 1.00 0.00 C ATOM 0 H VAL A 91 -9.813 1.257 -0.735 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.257 0.338 2.044 1.00 0.00 H new ATOM 0 HB VAL A 91 -9.129 -1.350 0.785 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -6.686 -1.109 0.246 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -7.758 -0.158 -0.809 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -6.853 0.645 0.495 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -7.243 -1.686 2.416 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -7.505 -0.021 2.986 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -8.787 -1.240 3.180 1.00 0.00 H new ATOM 974 N ASP A 92 -9.084 2.340 2.748 1.00 0.00 N ATOM 975 CA ASP A 92 -8.585 3.618 3.243 1.00 0.00 C ATOM 976 C ASP A 92 -7.100 3.469 3.517 1.00 0.00 C ATOM 977 O ASP A 92 -6.642 2.372 3.856 1.00 0.00 O ATOM 978 CB ASP A 92 -9.332 4.041 4.522 1.00 0.00 C ATOM 979 CG ASP A 92 -10.519 4.973 4.242 1.00 0.00 C ATOM 980 OD1 ASP A 92 -10.929 5.175 3.071 1.00 0.00 O ATOM 981 OD2 ASP A 92 -11.041 5.537 5.229 1.00 0.00 O ATOM 0 H ASP A 92 -9.474 1.745 3.479 1.00 0.00 H new ATOM 0 HA ASP A 92 -8.753 4.395 2.497 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -9.690 3.150 5.038 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.635 4.541 5.195 1.00 0.00 H new ATOM 986 N VAL A 93 -6.335 4.558 3.433 1.00 0.00 N ATOM 987 CA VAL A 93 -4.953 4.568 3.856 1.00 0.00 C ATOM 988 C VAL A 93 -4.619 5.860 4.611 1.00 0.00 C ATOM 989 O VAL A 93 -4.938 6.967 4.159 1.00 0.00 O ATOM 990 CB VAL A 93 -4.033 4.316 2.652 1.00 0.00 C ATOM 991 CG1 VAL A 93 -4.477 3.195 1.677 1.00 0.00 C ATOM 992 CG2 VAL A 93 -3.733 5.536 1.855 1.00 0.00 C ATOM 0 H VAL A 93 -6.665 5.452 3.069 1.00 0.00 H new ATOM 0 HA VAL A 93 -4.784 3.755 4.563 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.130 3.971 3.155 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.752 3.108 0.868 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -4.537 2.248 2.214 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -5.455 3.439 1.263 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -3.078 5.275 1.023 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.662 5.955 1.468 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -3.239 6.272 2.489 1.00 0.00 H new ATOM 1002 N SER A 94 -3.878 5.730 5.705 1.00 0.00 N ATOM 1003 CA SER A 94 -3.199 6.822 6.378 1.00 0.00 C ATOM 1004 C SER A 94 -1.743 6.761 5.944 1.00 0.00 C ATOM 1005 O SER A 94 -1.155 5.682 5.900 1.00 0.00 O ATOM 1006 CB SER A 94 -3.303 6.673 7.896 1.00 0.00 C ATOM 1007 OG SER A 94 -2.799 7.831 8.539 1.00 0.00 O ATOM 0 H SER A 94 -3.731 4.829 6.161 1.00 0.00 H new ATOM 0 HA SER A 94 -3.652 7.778 6.116 1.00 0.00 H new ATOM 0 HB2 SER A 94 -4.342 6.513 8.182 1.00 0.00 H new ATOM 0 HB3 SER A 94 -2.744 5.796 8.221 1.00 0.00 H new ATOM 0 HG SER A 94 -2.873 7.724 9.510 1.00 0.00 H new ATOM 1013 N TYR A 95 -1.158 7.911 5.640 1.00 0.00 N ATOM 1014 CA TYR A 95 0.258 8.100 5.426 1.00 0.00 C ATOM 1015 C TYR A 95 0.628 9.451 6.029 1.00 0.00 C ATOM 1016 O TYR A 95 -0.233 10.290 6.297 1.00 0.00 O ATOM 1017 CB TYR A 95 0.570 8.000 3.921 1.00 0.00 C ATOM 1018 CG TYR A 95 2.034 8.169 3.559 1.00 0.00 C ATOM 1019 CD1 TYR A 95 3.001 7.379 4.191 1.00 0.00 C ATOM 1020 CD2 TYR A 95 2.426 9.148 2.631 1.00 0.00 C ATOM 1021 CE1 TYR A 95 4.362 7.570 3.887 1.00 0.00 C ATOM 1022 CE2 TYR A 95 3.786 9.360 2.316 1.00 0.00 C ATOM 1023 CZ TYR A 95 4.761 8.548 2.945 1.00 0.00 C ATOM 1024 OH TYR A 95 6.076 8.728 2.642 1.00 0.00 O ATOM 0 H TYR A 95 -1.689 8.775 5.532 1.00 0.00 H new ATOM 0 HA TYR A 95 0.856 7.328 5.911 1.00 0.00 H new ATOM 0 HB2 TYR A 95 0.231 7.030 3.558 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -0.009 8.758 3.394 1.00 0.00 H new ATOM 0 HD1 TYR A 95 2.705 6.627 4.908 1.00 0.00 H new ATOM 0 HD2 TYR A 95 1.671 9.751 2.148 1.00 0.00 H new ATOM 0 HE1 TYR A 95 5.109 6.964 4.378 1.00 0.00 H new ATOM 0 HE2 TYR A 95 4.076 10.125 1.611 1.00 0.00 H new ATOM 0 HH TYR A 95 6.163 9.441 1.975 1.00 0.00 H new ATOM 1034 N GLU A 96 1.909 9.699 6.236 1.00 0.00 N ATOM 1035 CA GLU A 96 2.385 10.955 6.765 1.00 0.00 C ATOM 1036 C GLU A 96 3.781 11.111 6.197 1.00 0.00 C ATOM 1037 O GLU A 96 4.665 10.301 6.467 1.00 0.00 O ATOM 1038 CB GLU A 96 2.299 10.930 8.294 1.00 0.00 C ATOM 1039 CG GLU A 96 2.850 12.224 8.897 1.00 0.00 C ATOM 1040 CD GLU A 96 2.532 12.317 10.387 1.00 0.00 C ATOM 1041 OE1 GLU A 96 2.544 11.287 11.105 1.00 0.00 O ATOM 1042 OE2 GLU A 96 2.289 13.437 10.882 1.00 0.00 O ATOM 0 H GLU A 96 2.650 9.026 6.039 1.00 0.00 H new ATOM 0 HA GLU A 96 1.791 11.824 6.480 1.00 0.00 H new ATOM 0 HB2 GLU A 96 1.262 10.795 8.601 1.00 0.00 H new ATOM 0 HB3 GLU A 96 2.859 10.078 8.679 1.00 0.00 H new ATOM 0 HG2 GLU A 96 3.929 12.267 8.749 1.00 0.00 H new ATOM 0 HG3 GLU A 96 2.423 13.081 8.377 1.00 0.00 H new ATOM 1049 N GLY A 97 3.936 12.061 5.288 1.00 0.00 N ATOM 1050 CA GLY A 97 5.137 12.185 4.476 1.00 0.00 C ATOM 1051 C GLY A 97 4.852 13.123 3.321 1.00 0.00 C ATOM 1052 O GLY A 97 3.769 13.708 3.260 1.00 0.00 O ATOM 0 H GLY A 97 3.230 12.770 5.092 1.00 0.00 H new ATOM 0 HA2 GLY A 97 5.961 12.567 5.078 1.00 0.00 H new ATOM 0 HA3 GLY A 97 5.442 11.208 4.102 1.00 0.00 H new ATOM 1056 N ILE A 98 5.796 13.278 2.397 1.00 0.00 N ATOM 1057 CA ILE A 98 5.653 14.259 1.327 1.00 0.00 C ATOM 1058 C ILE A 98 4.934 13.691 0.112 1.00 0.00 C ATOM 1059 O ILE A 98 4.268 14.452 -0.601 1.00 0.00 O ATOM 1060 CB ILE A 98 7.001 14.952 1.030 1.00 0.00 C ATOM 1061 CG1 ILE A 98 6.820 16.202 0.142 1.00 0.00 C ATOM 1062 CG2 ILE A 98 8.078 13.988 0.496 1.00 0.00 C ATOM 1063 CD1 ILE A 98 6.912 15.989 -1.378 1.00 0.00 C ATOM 0 H ILE A 98 6.662 12.741 2.368 1.00 0.00 H new ATOM 0 HA ILE A 98 4.990 15.054 1.669 1.00 0.00 H new ATOM 0 HB ILE A 98 7.384 15.300 1.989 1.00 0.00 H new ATOM 0 HG12 ILE A 98 5.847 16.640 0.366 1.00 0.00 H new ATOM 0 HG13 ILE A 98 7.574 16.935 0.429 1.00 0.00 H new ATOM 0 HG21 ILE A 98 8.999 14.540 0.308 1.00 0.00 H new ATOM 0 HG22 ILE A 98 8.266 13.208 1.234 1.00 0.00 H new ATOM 0 HG23 ILE A 98 7.732 13.534 -0.432 1.00 0.00 H new ATOM 0 HD11 ILE A 98 6.768 16.941 -1.888 1.00 0.00 H new ATOM 0 HD12 ILE A 98 7.893 15.587 -1.630 1.00 0.00 H new ATOM 0 HD13 ILE A 98 6.140 15.288 -1.694 1.00 0.00 H new ATOM 1075 N LEU A 99 4.957 12.357 -0.024 1.00 0.00 N ATOM 1076 CA LEU A 99 4.375 11.534 -1.075 1.00 0.00 C ATOM 1077 C LEU A 99 5.325 11.527 -2.284 1.00 0.00 C ATOM 1078 O LEU A 99 6.133 12.444 -2.452 1.00 0.00 O ATOM 1079 CB LEU A 99 2.971 12.069 -1.382 1.00 0.00 C ATOM 1080 CG LEU A 99 1.839 11.131 -1.786 1.00 0.00 C ATOM 1081 CD1 LEU A 99 1.768 9.804 -1.021 1.00 0.00 C ATOM 1082 CD2 LEU A 99 0.577 11.935 -1.464 1.00 0.00 C ATOM 0 H LEU A 99 5.431 11.779 0.670 1.00 0.00 H new ATOM 0 HA LEU A 99 4.258 10.493 -0.772 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.636 12.609 -0.497 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.078 12.802 -2.182 1.00 0.00 H new ATOM 0 HG LEU A 99 1.976 10.837 -2.827 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.927 9.216 -1.389 1.00 0.00 H new ATOM 0 HD12 LEU A 99 2.693 9.247 -1.171 1.00 0.00 H new ATOM 0 HD13 LEU A 99 1.633 10.004 0.042 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.304 11.347 -1.719 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.559 12.173 -0.400 1.00 0.00 H new ATOM 0 HD23 LEU A 99 0.577 12.859 -2.043 1.00 0.00 H new ATOM 1094 N PRO A 100 5.317 10.474 -3.114 1.00 0.00 N ATOM 1095 CA PRO A 100 6.097 10.464 -4.340 1.00 0.00 C ATOM 1096 C PRO A 100 5.627 11.603 -5.236 1.00 0.00 C ATOM 1097 O PRO A 100 4.422 11.814 -5.382 1.00 0.00 O ATOM 1098 CB PRO A 100 5.844 9.104 -5.001 1.00 0.00 C ATOM 1099 CG PRO A 100 5.332 8.248 -3.851 1.00 0.00 C ATOM 1100 CD PRO A 100 4.598 9.226 -2.959 1.00 0.00 C ATOM 0 HA PRO A 100 7.162 10.604 -4.155 1.00 0.00 H new ATOM 0 HB2 PRO A 100 5.112 9.177 -5.805 1.00 0.00 H new ATOM 0 HB3 PRO A 100 6.755 8.692 -5.435 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.670 7.458 -4.206 1.00 0.00 H new ATOM 0 HG3 PRO A 100 6.151 7.762 -3.321 1.00 0.00 H new ATOM 0 HD2 PRO A 100 3.555 9.330 -3.259 1.00 0.00 H new ATOM 0 HD3 PRO A 100 4.600 8.894 -1.921 1.00 0.00 H new ATOM 1108 N ASP A 101 6.560 12.253 -5.923 1.00 0.00 N ATOM 1109 CA ASP A 101 6.285 13.262 -6.947 1.00 0.00 C ATOM 1110 C ASP A 101 5.387 12.650 -8.028 1.00 0.00 C ATOM 1111 O ASP A 101 4.556 13.335 -8.628 1.00 0.00 O ATOM 1112 CB ASP A 101 7.589 13.753 -7.610 1.00 0.00 C ATOM 1113 CG ASP A 101 8.713 14.150 -6.648 1.00 0.00 C ATOM 1114 OD1 ASP A 101 9.113 13.295 -5.816 1.00 0.00 O ATOM 1115 OD2 ASP A 101 9.283 15.251 -6.787 1.00 0.00 O ATOM 0 H ASP A 101 7.557 12.090 -5.781 1.00 0.00 H new ATOM 0 HA ASP A 101 5.793 14.109 -6.468 1.00 0.00 H new ATOM 0 HB2 ASP A 101 7.959 12.967 -8.268 1.00 0.00 H new ATOM 0 HB3 ASP A 101 7.354 14.611 -8.240 1.00 0.00 H new ATOM 1120 N LEU A 102 5.554 11.336 -8.240 1.00 0.00 N ATOM 1121 CA LEU A 102 4.771 10.503 -9.132 1.00 0.00 C ATOM 1122 C LEU A 102 3.310 10.412 -8.720 1.00 0.00 C ATOM 1123 O LEU A 102 2.471 10.340 -9.613 1.00 0.00 O ATOM 1124 CB LEU A 102 5.306 9.060 -9.172 1.00 0.00 C ATOM 1125 CG LEU A 102 6.432 8.828 -10.185 1.00 0.00 C ATOM 1126 CD1 LEU A 102 7.772 9.296 -9.619 1.00 0.00 C ATOM 1127 CD2 LEU A 102 6.482 7.339 -10.526 1.00 0.00 C ATOM 0 H LEU A 102 6.283 10.807 -7.761 1.00 0.00 H new ATOM 0 HA LEU A 102 4.854 10.982 -10.107 1.00 0.00 H new ATOM 0 HB2 LEU A 102 5.667 8.792 -8.179 1.00 0.00 H new ATOM 0 HB3 LEU A 102 4.481 8.386 -9.404 1.00 0.00 H new ATOM 0 HG LEU A 102 6.237 9.405 -11.089 1.00 0.00 H new ATOM 0 HD11 LEU A 102 8.558 9.122 -10.354 1.00 0.00 H new ATOM 0 HD12 LEU A 102 7.718 10.360 -9.390 1.00 0.00 H new ATOM 0 HD13 LEU A 102 7.997 8.740 -8.709 1.00 0.00 H new ATOM 0 HD21 LEU A 102 7.279 7.157 -11.247 1.00 0.00 H new ATOM 0 HD22 LEU A 102 6.674 6.764 -9.620 1.00 0.00 H new ATOM 0 HD23 LEU A 102 5.528 7.032 -10.955 1.00 0.00 H new ATOM 1139 N PHE A 103 3.011 10.288 -7.423 1.00 0.00 N ATOM 1140 CA PHE A 103 1.700 9.892 -6.931 1.00 0.00 C ATOM 1141 C PHE A 103 0.648 10.950 -7.268 1.00 0.00 C ATOM 1142 O PHE A 103 0.908 12.141 -7.078 1.00 0.00 O ATOM 1143 CB PHE A 103 1.817 9.648 -5.426 1.00 0.00 C ATOM 1144 CG PHE A 103 0.521 9.291 -4.733 1.00 0.00 C ATOM 1145 CD1 PHE A 103 -0.422 10.304 -4.476 1.00 0.00 C ATOM 1146 CD2 PHE A 103 0.251 7.967 -4.339 1.00 0.00 C ATOM 1147 CE1 PHE A 103 -1.657 9.998 -3.890 1.00 0.00 C ATOM 1148 CE2 PHE A 103 -0.962 7.681 -3.694 1.00 0.00 C ATOM 1149 CZ PHE A 103 -1.924 8.683 -3.487 1.00 0.00 C ATOM 0 H PHE A 103 3.687 10.464 -6.680 1.00 0.00 H new ATOM 0 HA PHE A 103 1.369 8.974 -7.417 1.00 0.00 H new ATOM 0 HB2 PHE A 103 2.534 8.845 -5.258 1.00 0.00 H new ATOM 0 HB3 PHE A 103 2.226 10.544 -4.959 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -0.191 11.327 -4.733 1.00 0.00 H new ATOM 0 HD2 PHE A 103 0.968 7.182 -4.530 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -2.398 10.771 -3.750 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -1.159 6.676 -3.352 1.00 0.00 H new ATOM 0 HZ PHE A 103 -2.867 8.441 -3.019 1.00 0.00 H new ATOM 1159 N ARG A 104 -0.552 10.555 -7.722 1.00 0.00 N ATOM 1160 CA ARG A 104 -1.661 11.448 -8.024 1.00 0.00 C ATOM 1161 C ARG A 104 -2.960 10.786 -7.613 1.00 0.00 C ATOM 1162 O ARG A 104 -3.005 9.579 -7.363 1.00 0.00 O ATOM 1163 CB ARG A 104 -1.734 11.688 -9.537 1.00 0.00 C ATOM 1164 CG ARG A 104 -0.438 12.194 -10.148 1.00 0.00 C ATOM 1165 CD ARG A 104 -0.176 13.657 -9.797 1.00 0.00 C ATOM 1166 NE ARG A 104 0.980 14.179 -10.540 1.00 0.00 N ATOM 1167 CZ ARG A 104 0.953 15.191 -11.414 1.00 0.00 C ATOM 1168 NH1 ARG A 104 -0.168 15.877 -11.630 1.00 0.00 N ATOM 1169 NH2 ARG A 104 2.045 15.490 -12.105 1.00 0.00 N ATOM 0 H ARG A 104 -0.775 9.574 -7.891 1.00 0.00 H new ATOM 0 HA ARG A 104 -1.511 12.387 -7.491 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -2.016 10.757 -10.029 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -2.526 12.409 -9.742 1.00 0.00 H new ATOM 0 HG2 ARG A 104 0.392 11.582 -9.796 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -0.480 12.082 -11.231 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -1.059 14.253 -10.026 1.00 0.00 H new ATOM 0 HD3 ARG A 104 0.003 13.751 -8.726 1.00 0.00 H new ATOM 0 HE ARG A 104 1.881 13.730 -10.375 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -1.020 15.633 -11.126 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -0.174 16.647 -12.299 1.00 0.00 H new ATOM 0 HH21 ARG A 104 2.899 14.949 -11.968 1.00 0.00 H new ATOM 0 HH22 ARG A 104 2.031 16.261 -12.773 1.00 0.00 H new ATOM 1183 N GLU A 105 -4.038 11.548 -7.710 1.00 0.00 N ATOM 1184 CA GLU A 105 -5.346 10.974 -7.930 1.00 0.00 C ATOM 1185 C GLU A 105 -5.318 10.171 -9.230 1.00 0.00 C ATOM 1186 O GLU A 105 -4.830 10.649 -10.260 1.00 0.00 O ATOM 1187 CB GLU A 105 -6.413 12.068 -8.050 1.00 0.00 C ATOM 1188 CG GLU A 105 -6.714 12.770 -6.720 1.00 0.00 C ATOM 1189 CD GLU A 105 -5.928 14.068 -6.460 1.00 0.00 C ATOM 1190 OE1 GLU A 105 -4.875 14.307 -7.090 1.00 0.00 O ATOM 1191 OE2 GLU A 105 -6.420 14.862 -5.600 1.00 0.00 O ATOM 0 H GLU A 105 -4.028 12.565 -7.639 1.00 0.00 H new ATOM 0 HA GLU A 105 -5.594 10.335 -7.082 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -6.083 12.809 -8.778 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -7.332 11.628 -8.437 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -7.779 12.998 -6.683 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -6.509 12.073 -5.907 1.00 0.00 H new ATOM 1198 N GLY A 106 -5.896 8.975 -9.207 1.00 0.00 N ATOM 1199 CA GLY A 106 -6.412 8.301 -10.396 1.00 0.00 C ATOM 1200 C GLY A 106 -5.389 7.410 -11.090 1.00 0.00 C ATOM 1201 O GLY A 106 -5.670 6.877 -12.166 1.00 0.00 O ATOM 0 H GLY A 106 -6.022 8.437 -8.349 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -7.275 7.697 -10.114 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -6.766 9.051 -11.103 1.00 0.00 H new ATOM 1205 N GLN A 107 -4.213 7.244 -10.489 1.00 0.00 N ATOM 1206 CA GLN A 107 -3.208 6.286 -10.924 1.00 0.00 C ATOM 1207 C GLN A 107 -3.225 5.077 -9.997 1.00 0.00 C ATOM 1208 O GLN A 107 -3.876 5.085 -8.947 1.00 0.00 O ATOM 1209 CB GLN A 107 -1.823 6.940 -10.947 1.00 0.00 C ATOM 1210 CG GLN A 107 -1.451 7.561 -9.600 1.00 0.00 C ATOM 1211 CD GLN A 107 0.054 7.654 -9.478 1.00 0.00 C ATOM 1212 OE1 GLN A 107 0.648 7.162 -8.533 1.00 0.00 O ATOM 1213 NE2 GLN A 107 0.713 8.297 -10.417 1.00 0.00 N ATOM 0 H GLN A 107 -3.930 7.783 -9.671 1.00 0.00 H new ATOM 0 HA GLN A 107 -3.438 5.955 -11.937 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -1.076 6.194 -11.219 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -1.800 7.710 -11.718 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -1.894 8.553 -9.511 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -1.855 6.958 -8.787 1.00 0.00 H new ATOM 0 HE21 GLN A 107 0.210 8.706 -11.204 1.00 0.00 H new ATOM 0 HE22 GLN A 107 1.727 8.387 -10.358 1.00 0.00 H new ATOM 1222 N GLY A 108 -2.458 4.064 -10.380 1.00 0.00 N ATOM 1223 CA GLY A 108 -2.275 2.831 -9.643 1.00 0.00 C ATOM 1224 C GLY A 108 -1.045 2.967 -8.763 1.00 0.00 C ATOM 1225 O GLY A 108 0.022 3.359 -9.242 1.00 0.00 O ATOM 0 H GLY A 108 -1.926 4.085 -11.250 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -3.154 2.621 -9.034 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -2.157 1.994 -10.331 1.00 0.00 H new ATOM 1229 N VAL A 109 -1.189 2.656 -7.481 1.00 0.00 N ATOM 1230 CA VAL A 109 -0.156 2.836 -6.468 1.00 0.00 C ATOM 1231 C VAL A 109 -0.034 1.510 -5.717 1.00 0.00 C ATOM 1232 O VAL A 109 -0.852 0.592 -5.887 1.00 0.00 O ATOM 1233 CB VAL A 109 -0.459 4.063 -5.569 1.00 0.00 C ATOM 1234 CG1 VAL A 109 -1.087 5.199 -6.386 1.00 0.00 C ATOM 1235 CG2 VAL A 109 -1.282 3.727 -4.317 1.00 0.00 C ATOM 0 H VAL A 109 -2.051 2.261 -7.107 1.00 0.00 H new ATOM 0 HA VAL A 109 0.812 3.071 -6.910 1.00 0.00 H new ATOM 0 HB VAL A 109 0.502 4.408 -5.188 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -1.290 6.048 -5.733 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -0.399 5.504 -7.174 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -2.019 4.854 -6.833 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -1.453 4.635 -3.739 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -2.240 3.301 -4.615 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -0.738 3.006 -3.707 1.00 0.00 H new ATOM 1245 N VAL A 110 0.962 1.414 -4.851 1.00 0.00 N ATOM 1246 CA VAL A 110 1.163 0.331 -3.922 1.00 0.00 C ATOM 1247 C VAL A 110 1.322 0.998 -2.563 1.00 0.00 C ATOM 1248 O VAL A 110 2.107 1.927 -2.398 1.00 0.00 O ATOM 1249 CB VAL A 110 2.366 -0.495 -4.402 1.00 0.00 C ATOM 1250 CG1 VAL A 110 2.968 -1.407 -3.339 1.00 0.00 C ATOM 1251 CG2 VAL A 110 1.943 -1.354 -5.596 1.00 0.00 C ATOM 0 H VAL A 110 1.685 2.130 -4.779 1.00 0.00 H new ATOM 0 HA VAL A 110 0.343 -0.384 -3.851 1.00 0.00 H new ATOM 0 HB VAL A 110 3.138 0.227 -4.669 1.00 0.00 H new ATOM 0 HG11 VAL A 110 3.811 -1.953 -3.763 1.00 0.00 H new ATOM 0 HG12 VAL A 110 3.311 -0.807 -2.496 1.00 0.00 H new ATOM 0 HG13 VAL A 110 2.213 -2.115 -2.997 1.00 0.00 H new ATOM 0 HG21 VAL A 110 2.794 -1.942 -5.940 1.00 0.00 H new ATOM 0 HG22 VAL A 110 1.137 -2.023 -5.295 1.00 0.00 H new ATOM 0 HG23 VAL A 110 1.597 -0.709 -6.404 1.00 0.00 H new ATOM 1261 N VAL A 111 0.539 0.582 -1.581 1.00 0.00 N ATOM 1262 CA VAL A 111 0.775 0.906 -0.189 1.00 0.00 C ATOM 1263 C VAL A 111 1.406 -0.320 0.466 1.00 0.00 C ATOM 1264 O VAL A 111 1.364 -1.439 -0.045 1.00 0.00 O ATOM 1265 CB VAL A 111 -0.541 1.429 0.424 1.00 0.00 C ATOM 1266 CG1 VAL A 111 -0.854 1.004 1.851 1.00 0.00 C ATOM 1267 CG2 VAL A 111 -0.539 2.948 0.364 1.00 0.00 C ATOM 0 H VAL A 111 -0.287 0.003 -1.733 1.00 0.00 H new ATOM 0 HA VAL A 111 1.485 1.717 -0.030 1.00 0.00 H new ATOM 0 HB VAL A 111 -1.323 0.970 -0.180 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -1.804 1.439 2.160 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -0.919 -0.083 1.901 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -0.063 1.351 2.516 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -1.465 3.330 0.795 1.00 0.00 H new ATOM 0 HG22 VAL A 111 0.310 3.333 0.928 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -0.461 3.271 -0.674 1.00 0.00 H new ATOM 1277 N GLN A 112 2.067 -0.072 1.583 1.00 0.00 N ATOM 1278 CA GLN A 112 2.811 -1.053 2.339 1.00 0.00 C ATOM 1279 C GLN A 112 2.906 -0.531 3.753 1.00 0.00 C ATOM 1280 O GLN A 112 3.220 0.646 3.920 1.00 0.00 O ATOM 1281 CB GLN A 112 4.194 -1.206 1.681 1.00 0.00 C ATOM 1282 CG GLN A 112 5.170 -2.015 2.515 1.00 0.00 C ATOM 1283 CD GLN A 112 6.275 -2.645 1.675 1.00 0.00 C ATOM 1284 OE1 GLN A 112 6.675 -2.204 0.595 1.00 0.00 O ATOM 1285 NE2 GLN A 112 6.738 -3.781 2.144 1.00 0.00 N ATOM 0 H GLN A 112 2.099 0.858 2.002 1.00 0.00 H new ATOM 0 HA GLN A 112 2.337 -2.035 2.354 1.00 0.00 H new ATOM 0 HB2 GLN A 112 4.075 -1.684 0.709 1.00 0.00 H new ATOM 0 HB3 GLN A 112 4.614 -0.217 1.501 1.00 0.00 H new ATOM 0 HG2 GLN A 112 5.617 -1.371 3.272 1.00 0.00 H new ATOM 0 HG3 GLN A 112 4.628 -2.799 3.043 1.00 0.00 H new ATOM 0 HE21 GLN A 112 6.402 -4.138 3.038 1.00 0.00 H new ATOM 0 HE22 GLN A 112 7.434 -4.306 1.614 1.00 0.00 H new ATOM 1294 N GLY A 113 2.653 -1.388 4.740 1.00 0.00 N ATOM 1295 CA GLY A 113 2.697 -1.055 6.145 1.00 0.00 C ATOM 1296 C GLY A 113 1.814 -2.064 6.852 1.00 0.00 C ATOM 1297 O GLY A 113 2.098 -3.260 6.751 1.00 0.00 O ATOM 0 H GLY A 113 2.405 -2.362 4.569 1.00 0.00 H new ATOM 0 HA2 GLY A 113 3.718 -1.101 6.523 1.00 0.00 H new ATOM 0 HA3 GLY A 113 2.339 -0.039 6.315 1.00 0.00 H new ATOM 1301 N GLU A 114 0.755 -1.636 7.532 1.00 0.00 N ATOM 1302 CA GLU A 114 0.081 -2.477 8.514 1.00 0.00 C ATOM 1303 C GLU A 114 -1.418 -2.264 8.454 1.00 0.00 C ATOM 1304 O GLU A 114 -1.886 -1.233 7.979 1.00 0.00 O ATOM 1305 CB GLU A 114 0.692 -2.191 9.891 1.00 0.00 C ATOM 1306 CG GLU A 114 0.484 -3.307 10.915 1.00 0.00 C ATOM 1307 CD GLU A 114 1.525 -3.264 12.033 1.00 0.00 C ATOM 1308 OE1 GLU A 114 1.797 -2.180 12.601 1.00 0.00 O ATOM 1309 OE2 GLU A 114 2.103 -4.329 12.352 1.00 0.00 O ATOM 0 H GLU A 114 0.344 -0.709 7.420 1.00 0.00 H new ATOM 0 HA GLU A 114 0.231 -3.535 8.298 1.00 0.00 H new ATOM 0 HB2 GLU A 114 1.762 -2.017 9.772 1.00 0.00 H new ATOM 0 HB3 GLU A 114 0.261 -1.269 10.283 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -0.514 -3.221 11.346 1.00 0.00 H new ATOM 0 HG3 GLU A 114 0.532 -4.273 10.412 1.00 0.00 H new ATOM 1316 N LEU A 115 -2.172 -3.276 8.861 1.00 0.00 N ATOM 1317 CA LEU A 115 -3.627 -3.231 8.850 1.00 0.00 C ATOM 1318 C LEU A 115 -4.110 -2.495 10.106 1.00 0.00 C ATOM 1319 O LEU A 115 -3.566 -2.727 11.183 1.00 0.00 O ATOM 1320 CB LEU A 115 -4.155 -4.660 8.701 1.00 0.00 C ATOM 1321 CG LEU A 115 -5.271 -4.790 7.640 1.00 0.00 C ATOM 1322 CD1 LEU A 115 -5.955 -6.150 7.677 1.00 0.00 C ATOM 1323 CD2 LEU A 115 -6.355 -3.723 7.611 1.00 0.00 C ATOM 0 H LEU A 115 -1.789 -4.155 9.210 1.00 0.00 H new ATOM 0 HA LEU A 115 -4.021 -2.668 8.004 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -3.329 -5.319 8.433 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -4.536 -5.002 9.663 1.00 0.00 H new ATOM 0 HG LEU A 115 -4.691 -4.648 6.728 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -6.730 -6.188 6.912 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -5.220 -6.932 7.488 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -6.405 -6.304 8.658 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -7.066 -3.948 6.816 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -6.875 -3.707 8.569 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -5.902 -2.749 7.428 1.00 0.00 H new ATOM 1335 N GLU A 116 -5.078 -1.580 9.969 1.00 0.00 N ATOM 1336 CA GLU A 116 -5.589 -0.798 11.094 1.00 0.00 C ATOM 1337 C GLU A 116 -6.778 -1.568 11.677 1.00 0.00 C ATOM 1338 O GLU A 116 -6.602 -2.372 12.590 1.00 0.00 O ATOM 1339 CB GLU A 116 -5.947 0.631 10.630 1.00 0.00 C ATOM 1340 CG GLU A 116 -6.017 1.691 11.740 1.00 0.00 C ATOM 1341 CD GLU A 116 -6.599 1.216 13.070 1.00 0.00 C ATOM 1342 OE1 GLU A 116 -7.829 1.017 13.152 1.00 0.00 O ATOM 1343 OE2 GLU A 116 -5.826 1.150 14.057 1.00 0.00 O ATOM 0 H GLU A 116 -5.525 -1.364 9.078 1.00 0.00 H new ATOM 0 HA GLU A 116 -4.841 -0.671 11.877 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -5.210 0.950 9.894 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -6.911 0.598 10.122 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -5.011 2.071 11.919 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -6.615 2.529 11.381 1.00 0.00 H new ATOM 1350 N LYS A 117 -7.974 -1.368 11.113 1.00 0.00 N ATOM 1351 CA LYS A 117 -9.173 -2.142 11.346 1.00 0.00 C ATOM 1352 C LYS A 117 -10.044 -2.109 10.104 1.00 0.00 C ATOM 1353 O LYS A 117 -9.932 -3.006 9.272 1.00 0.00 O ATOM 1354 CB LYS A 117 -9.933 -1.637 12.574 1.00 0.00 C ATOM 1355 CG LYS A 117 -9.480 -2.274 13.890 1.00 0.00 C ATOM 1356 CD LYS A 117 -10.661 -2.341 14.864 1.00 0.00 C ATOM 1357 CE LYS A 117 -11.127 -0.933 15.251 1.00 0.00 C ATOM 1358 NZ LYS A 117 -12.563 -0.867 15.555 1.00 0.00 N ATOM 0 H LYS A 117 -8.128 -0.614 10.444 1.00 0.00 H new ATOM 0 HA LYS A 117 -8.892 -3.175 11.552 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -9.812 -0.556 12.645 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -10.997 -1.830 12.435 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -9.091 -3.275 13.706 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -8.668 -1.692 14.327 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -11.485 -2.889 14.407 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -10.370 -2.891 15.759 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -10.561 -0.595 16.119 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -10.902 -0.245 14.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -12.819 0.108 15.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -13.109 -1.162 14.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -12.779 -1.501 16.351 1.00 0.00 H new ATOM 1372 N GLY A 118 -10.923 -1.104 10.004 1.00 0.00 N ATOM 1373 CA GLY A 118 -12.086 -1.099 9.132 1.00 0.00 C ATOM 1374 C GLY A 118 -11.630 -0.813 7.721 1.00 0.00 C ATOM 1375 O GLY A 118 -11.622 0.348 7.319 1.00 0.00 O ATOM 0 H GLY A 118 -10.834 -0.247 10.550 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -12.596 -2.061 9.177 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -12.801 -0.344 9.459 1.00 0.00 H new ATOM 1379 N ASN A 119 -11.175 -1.866 7.041 1.00 0.00 N ATOM 1380 CA ASN A 119 -10.474 -1.879 5.765 1.00 0.00 C ATOM 1381 C ASN A 119 -9.662 -0.595 5.580 1.00 0.00 C ATOM 1382 O ASN A 119 -9.978 0.238 4.728 1.00 0.00 O ATOM 1383 CB ASN A 119 -11.465 -2.175 4.627 1.00 0.00 C ATOM 1384 CG ASN A 119 -12.043 -3.577 4.744 1.00 0.00 C ATOM 1385 OD1 ASN A 119 -11.228 -4.573 4.473 1.00 0.00 O flip ATOM 1386 ND2 ASN A 119 -13.196 -3.810 5.084 1.00 0.00 N flip ATOM 0 H ASN A 119 -11.300 -2.811 7.404 1.00 0.00 H new ATOM 0 HA ASN A 119 -9.741 -2.686 5.746 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -12.273 -1.444 4.647 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -10.961 -2.067 3.667 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -13.831 -3.040 5.295 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -13.521 -4.774 5.156 1.00 0.00 H new ATOM 1393 N HIS A 120 -8.628 -0.433 6.409 1.00 0.00 N ATOM 1394 CA HIS A 120 -7.780 0.748 6.472 1.00 0.00 C ATOM 1395 C HIS A 120 -6.352 0.279 6.700 1.00 0.00 C ATOM 1396 O HIS A 120 -6.128 -0.547 7.578 1.00 0.00 O ATOM 1397 CB HIS A 120 -8.240 1.653 7.622 1.00 0.00 C ATOM 1398 CG HIS A 120 -7.384 2.875 7.891 1.00 0.00 C ATOM 1399 ND1 HIS A 120 -7.373 3.607 9.059 1.00 0.00 N ATOM 1400 CD2 HIS A 120 -6.431 3.424 7.072 1.00 0.00 C ATOM 1401 CE1 HIS A 120 -6.413 4.541 8.942 1.00 0.00 C ATOM 1402 NE2 HIS A 120 -5.817 4.465 7.749 1.00 0.00 N ATOM 0 H HIS A 120 -8.352 -1.152 7.078 1.00 0.00 H new ATOM 0 HA HIS A 120 -7.841 1.321 5.547 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -9.257 1.985 7.412 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -8.282 1.056 8.533 1.00 0.00 H new ATOM 0 HD1 HIS A 120 -7.982 3.466 9.865 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -6.198 3.100 6.068 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -6.158 5.257 9.710 1.00 0.00 H new ATOM 1410 N ILE A 121 -5.408 0.783 5.914 1.00 0.00 N ATOM 1411 CA ILE A 121 -3.988 0.499 5.990 1.00 0.00 C ATOM 1412 C ILE A 121 -3.262 1.709 6.584 1.00 0.00 C ATOM 1413 O ILE A 121 -3.427 2.834 6.111 1.00 0.00 O ATOM 1414 CB ILE A 121 -3.466 0.216 4.565 1.00 0.00 C ATOM 1415 CG1 ILE A 121 -4.353 -0.698 3.688 1.00 0.00 C ATOM 1416 CG2 ILE A 121 -2.056 -0.364 4.664 1.00 0.00 C ATOM 1417 CD1 ILE A 121 -4.453 -2.140 4.186 1.00 0.00 C ATOM 0 H ILE A 121 -5.631 1.438 5.165 1.00 0.00 H new ATOM 0 HA ILE A 121 -3.808 -0.369 6.625 1.00 0.00 H new ATOM 0 HB ILE A 121 -3.480 1.177 4.051 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -5.355 -0.273 3.638 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -3.957 -0.703 2.672 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -1.676 -0.569 3.663 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -1.402 0.352 5.161 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -2.083 -1.290 5.238 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -5.093 -2.713 3.515 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -3.459 -2.587 4.209 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -4.879 -2.150 5.189 1.00 0.00 H new ATOM 1429 N LEU A 122 -2.345 1.465 7.512 1.00 0.00 N ATOM 1430 CA LEU A 122 -1.265 2.384 7.809 1.00 0.00 C ATOM 1431 C LEU A 122 -0.271 2.141 6.703 1.00 0.00 C ATOM 1432 O LEU A 122 0.393 1.104 6.675 1.00 0.00 O ATOM 1433 CB LEU A 122 -0.558 2.057 9.129 1.00 0.00 C ATOM 1434 CG LEU A 122 -1.286 2.454 10.407 1.00 0.00 C ATOM 1435 CD1 LEU A 122 -1.582 3.959 10.503 1.00 0.00 C ATOM 1436 CD2 LEU A 122 -2.603 1.711 10.556 1.00 0.00 C ATOM 0 H LEU A 122 -2.334 0.618 8.080 1.00 0.00 H new ATOM 0 HA LEU A 122 -1.644 3.403 7.888 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -0.374 0.983 9.161 1.00 0.00 H new ATOM 0 HB3 LEU A 122 0.416 2.547 9.125 1.00 0.00 H new ATOM 0 HG LEU A 122 -0.599 2.183 11.209 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -2.101 4.169 11.438 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -0.646 4.516 10.475 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -2.209 4.261 9.664 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -3.093 2.021 11.479 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -3.248 1.941 9.708 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -2.414 0.638 10.588 1.00 0.00 H new ATOM 1448 N ALA A 123 -0.194 3.060 5.758 1.00 0.00 N ATOM 1449 CA ALA A 123 0.950 3.094 4.883 1.00 0.00 C ATOM 1450 C ALA A 123 2.170 3.500 5.712 1.00 0.00 C ATOM 1451 O ALA A 123 2.078 4.308 6.642 1.00 0.00 O ATOM 1452 CB ALA A 123 0.721 4.073 3.743 1.00 0.00 C ATOM 0 H ALA A 123 -0.898 3.777 5.583 1.00 0.00 H new ATOM 0 HA ALA A 123 1.113 2.111 4.440 1.00 0.00 H new ATOM 0 HB1 ALA A 123 1.596 4.085 3.093 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -0.153 3.766 3.170 1.00 0.00 H new ATOM 0 HB3 ALA A 123 0.556 5.071 4.148 1.00 0.00 H new ATOM 1458 N LYS A 124 3.328 2.991 5.308 1.00 0.00 N ATOM 1459 CA LYS A 124 4.625 3.379 5.829 1.00 0.00 C ATOM 1460 C LYS A 124 5.381 4.155 4.758 1.00 0.00 C ATOM 1461 O LYS A 124 6.237 4.953 5.119 1.00 0.00 O ATOM 1462 CB LYS A 124 5.350 2.138 6.409 1.00 0.00 C ATOM 1463 CG LYS A 124 6.274 1.366 5.450 1.00 0.00 C ATOM 1464 CD LYS A 124 7.712 1.912 5.497 1.00 0.00 C ATOM 1465 CE LYS A 124 8.569 1.350 6.633 1.00 0.00 C ATOM 1466 NZ LYS A 124 9.993 1.693 6.434 1.00 0.00 N ATOM 0 H LYS A 124 3.387 2.274 4.585 1.00 0.00 H new ATOM 0 HA LYS A 124 4.539 4.064 6.672 1.00 0.00 H new ATOM 0 HB2 LYS A 124 5.941 2.459 7.266 1.00 0.00 H new ATOM 0 HB3 LYS A 124 4.595 1.447 6.784 1.00 0.00 H new ATOM 0 HG2 LYS A 124 6.275 0.309 5.716 1.00 0.00 H new ATOM 0 HG3 LYS A 124 5.888 1.439 4.433 1.00 0.00 H new ATOM 0 HD2 LYS A 124 8.201 1.693 4.548 1.00 0.00 H new ATOM 0 HD3 LYS A 124 7.672 2.997 5.592 1.00 0.00 H new ATOM 0 HE2 LYS A 124 8.224 1.749 7.587 1.00 0.00 H new ATOM 0 HE3 LYS A 124 8.454 0.267 6.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 10.557 1.302 7.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 10.324 1.291 5.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 10.101 2.727 6.412 1.00 0.00 H new ATOM 1480 N GLU A 125 5.088 3.962 3.460 1.00 0.00 N ATOM 1481 CA GLU A 125 5.953 4.522 2.418 1.00 0.00 C ATOM 1482 C GLU A 125 5.306 4.944 1.096 1.00 0.00 C ATOM 1483 O GLU A 125 5.939 5.720 0.395 1.00 0.00 O ATOM 1484 CB GLU A 125 7.131 3.559 2.204 1.00 0.00 C ATOM 1485 CG GLU A 125 6.786 2.180 1.617 1.00 0.00 C ATOM 1486 CD GLU A 125 7.842 1.115 1.963 1.00 0.00 C ATOM 1487 OE1 GLU A 125 9.025 1.266 1.574 1.00 0.00 O ATOM 1488 OE2 GLU A 125 7.522 0.159 2.703 1.00 0.00 O ATOM 0 H GLU A 125 4.282 3.438 3.118 1.00 0.00 H new ATOM 0 HA GLU A 125 6.278 5.489 2.803 1.00 0.00 H new ATOM 0 HB2 GLU A 125 7.852 4.041 1.544 1.00 0.00 H new ATOM 0 HB3 GLU A 125 7.628 3.408 3.162 1.00 0.00 H new ATOM 0 HG2 GLU A 125 5.814 1.860 1.994 1.00 0.00 H new ATOM 0 HG3 GLU A 125 6.697 2.261 0.534 1.00 0.00 H new ATOM 1495 N VAL A 126 4.076 4.513 0.786 1.00 0.00 N ATOM 1496 CA VAL A 126 3.289 4.847 -0.421 1.00 0.00 C ATOM 1497 C VAL A 126 4.113 4.935 -1.713 1.00 0.00 C ATOM 1498 O VAL A 126 4.740 5.945 -2.026 1.00 0.00 O ATOM 1499 CB VAL A 126 2.475 6.138 -0.232 1.00 0.00 C ATOM 1500 CG1 VAL A 126 1.640 6.434 -1.497 1.00 0.00 C ATOM 1501 CG2 VAL A 126 1.473 6.003 0.908 1.00 0.00 C ATOM 0 H VAL A 126 3.568 3.883 1.406 1.00 0.00 H new ATOM 0 HA VAL A 126 2.610 4.003 -0.543 1.00 0.00 H new ATOM 0 HB VAL A 126 3.194 6.930 -0.024 1.00 0.00 H new ATOM 0 HG11 VAL A 126 1.069 7.350 -1.350 1.00 0.00 H new ATOM 0 HG12 VAL A 126 2.305 6.555 -2.352 1.00 0.00 H new ATOM 0 HG13 VAL A 126 0.956 5.606 -1.683 1.00 0.00 H new ATOM 0 HG21 VAL A 126 0.915 6.933 1.014 1.00 0.00 H new ATOM 0 HG22 VAL A 126 0.782 5.188 0.691 1.00 0.00 H new ATOM 0 HG23 VAL A 126 2.004 5.791 1.836 1.00 0.00 H new ATOM 1511 N LEU A 127 4.044 3.884 -2.516 1.00 0.00 N ATOM 1512 CA LEU A 127 4.829 3.724 -3.712 1.00 0.00 C ATOM 1513 C LEU A 127 3.915 3.944 -4.907 1.00 0.00 C ATOM 1514 O LEU A 127 2.748 3.558 -4.874 1.00 0.00 O ATOM 1515 CB LEU A 127 5.401 2.296 -3.716 1.00 0.00 C ATOM 1516 CG LEU A 127 6.149 1.852 -2.438 1.00 0.00 C ATOM 1517 CD1 LEU A 127 7.196 2.884 -1.999 1.00 0.00 C ATOM 1518 CD2 LEU A 127 5.227 1.384 -1.301 1.00 0.00 C ATOM 0 H LEU A 127 3.417 3.099 -2.340 1.00 0.00 H new ATOM 0 HA LEU A 127 5.651 4.438 -3.757 1.00 0.00 H new ATOM 0 HB2 LEU A 127 4.581 1.600 -3.891 1.00 0.00 H new ATOM 0 HB3 LEU A 127 6.083 2.204 -4.561 1.00 0.00 H new ATOM 0 HG LEU A 127 6.700 0.952 -2.712 1.00 0.00 H new ATOM 0 HD11 LEU A 127 7.698 2.532 -1.098 1.00 0.00 H new ATOM 0 HD12 LEU A 127 7.930 3.019 -2.794 1.00 0.00 H new ATOM 0 HD13 LEU A 127 6.705 3.835 -1.793 1.00 0.00 H new ATOM 0 HD21 LEU A 127 5.830 1.090 -0.442 1.00 0.00 H new ATOM 0 HD22 LEU A 127 4.560 2.197 -1.015 1.00 0.00 H new ATOM 0 HD23 LEU A 127 4.637 0.532 -1.639 1.00 0.00 H new ATOM 1530 N ALA A 128 4.421 4.516 -5.994 1.00 0.00 N ATOM 1531 CA ALA A 128 3.603 4.928 -7.135 1.00 0.00 C ATOM 1532 C ALA A 128 3.838 4.031 -8.353 1.00 0.00 C ATOM 1533 O ALA A 128 3.741 4.506 -9.482 1.00 0.00 O ATOM 1534 CB ALA A 128 3.839 6.407 -7.441 1.00 0.00 C ATOM 0 H ALA A 128 5.416 4.709 -6.112 1.00 0.00 H new ATOM 0 HA ALA A 128 2.552 4.807 -6.873 1.00 0.00 H new ATOM 0 HB1 ALA A 128 3.226 6.705 -8.292 1.00 0.00 H new ATOM 0 HB2 ALA A 128 3.569 7.006 -6.571 1.00 0.00 H new ATOM 0 HB3 ALA A 128 4.891 6.566 -7.678 1.00 0.00 H new ATOM 1540 N LYS A 129 4.162 2.743 -8.143 1.00 0.00 N ATOM 1541 CA LYS A 129 4.523 1.827 -9.235 1.00 0.00 C ATOM 1542 C LYS A 129 5.621 2.440 -10.129 1.00 0.00 C ATOM 1543 O LYS A 129 5.526 2.461 -11.358 1.00 0.00 O ATOM 1544 CB LYS A 129 3.268 1.394 -10.015 1.00 0.00 C ATOM 1545 CG LYS A 129 2.285 0.527 -9.207 1.00 0.00 C ATOM 1546 CD LYS A 129 2.634 -0.970 -9.255 1.00 0.00 C ATOM 1547 CE LYS A 129 1.922 -1.728 -10.382 1.00 0.00 C ATOM 1548 NZ LYS A 129 2.428 -1.388 -11.723 1.00 0.00 N ATOM 0 H LYS A 129 4.181 2.312 -7.219 1.00 0.00 H new ATOM 0 HA LYS A 129 4.952 0.918 -8.813 1.00 0.00 H new ATOM 0 HB2 LYS A 129 2.746 2.285 -10.363 1.00 0.00 H new ATOM 0 HB3 LYS A 129 3.579 0.840 -10.901 1.00 0.00 H new ATOM 0 HG2 LYS A 129 2.280 0.861 -8.170 1.00 0.00 H new ATOM 0 HG3 LYS A 129 1.276 0.673 -9.593 1.00 0.00 H new ATOM 0 HD2 LYS A 129 3.711 -1.080 -9.378 1.00 0.00 H new ATOM 0 HD3 LYS A 129 2.374 -1.426 -8.300 1.00 0.00 H new ATOM 0 HE2 LYS A 129 2.037 -2.800 -10.219 1.00 0.00 H new ATOM 0 HE3 LYS A 129 0.855 -1.511 -10.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 2.018 -2.038 -12.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 2.159 -0.411 -11.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 3.464 -1.475 -11.735 1.00 0.00 H new