USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 491 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 CYS SG : rot 39:sc= 0.0922 USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.158 USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -0.165 X(o=-0.16,f=-0.055) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 130:sc= -3.54! USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.15 K(o=-0.15,f=-2!) USER MOD Single : A 42 LYS NZ :NH3+ 154:sc= -0.92 (180deg=-1.73!) USER MOD Single : A 43 CYS SG : rot 180:sc= -0.252 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 169:sc=-0.00527 (180deg=-0.118) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.045) USER MOD ----------------------------------------------------------------- ATOM 41 N LEU A 4 7.005 -4.549 -9.028 1.00 0.00 N ATOM 42 CA LEU A 4 8.035 -5.548 -9.292 1.00 0.00 C ATOM 43 C LEU A 4 9.248 -4.914 -9.966 1.00 0.00 C ATOM 44 O LEU A 4 9.112 -3.988 -10.766 1.00 0.00 O ATOM 45 CB LEU A 4 7.475 -6.666 -10.172 1.00 0.00 C ATOM 46 CG LEU A 4 6.299 -7.452 -9.591 1.00 0.00 C ATOM 47 CD1 LEU A 4 4.985 -6.747 -9.892 1.00 0.00 C ATOM 48 CD2 LEU A 4 6.282 -8.871 -10.140 1.00 0.00 C ATOM 0 HA LEU A 4 8.351 -5.969 -8.338 1.00 0.00 H new ATOM 0 HB2 LEU A 4 7.162 -6.232 -11.121 1.00 0.00 H new ATOM 0 HB3 LEU A 4 8.281 -7.366 -10.392 1.00 0.00 H new ATOM 0 HG LEU A 4 6.421 -7.504 -8.509 1.00 0.00 H new ATOM 0 HD11 LEU A 4 4.159 -7.321 -9.471 1.00 0.00 H new ATOM 0 HD12 LEU A 4 4.997 -5.751 -9.450 1.00 0.00 H new ATOM 0 HD13 LEU A 4 4.856 -6.664 -10.971 1.00 0.00 H new ATOM 0 HD21 LEU A 4 5.438 -9.415 -9.715 1.00 0.00 H new ATOM 0 HD22 LEU A 4 6.185 -8.840 -11.225 1.00 0.00 H new ATOM 0 HD23 LEU A 4 7.211 -9.376 -9.873 1.00 0.00 H new ATOM 60 N ARG A 5 10.432 -5.420 -9.638 1.00 0.00 N ATOM 61 CA ARG A 5 11.669 -4.904 -10.213 1.00 0.00 C ATOM 62 C ARG A 5 12.863 -5.750 -9.781 1.00 0.00 C ATOM 63 O ARG A 5 12.850 -6.363 -8.713 1.00 0.00 O ATOM 64 CB ARG A 5 11.883 -3.449 -9.793 1.00 0.00 C ATOM 65 CG ARG A 5 11.987 -3.258 -8.289 1.00 0.00 C ATOM 66 CD ARG A 5 13.111 -2.299 -7.926 1.00 0.00 C ATOM 67 NE ARG A 5 12.968 -1.778 -6.569 1.00 0.00 N ATOM 68 CZ ARG A 5 13.854 -0.971 -5.995 1.00 0.00 C ATOM 69 NH1 ARG A 5 14.939 -0.594 -6.657 1.00 0.00 N ATOM 70 NH2 ARG A 5 13.654 -0.539 -4.756 1.00 0.00 N ATOM 0 H ARG A 5 10.561 -6.186 -8.977 1.00 0.00 H new ATOM 0 HA ARG A 5 11.584 -4.953 -11.299 1.00 0.00 H new ATOM 0 HB2 ARG A 5 12.793 -3.074 -10.262 1.00 0.00 H new ATOM 0 HB3 ARG A 5 11.058 -2.845 -10.171 1.00 0.00 H new ATOM 0 HG2 ARG A 5 11.042 -2.875 -7.903 1.00 0.00 H new ATOM 0 HG3 ARG A 5 12.160 -4.222 -7.810 1.00 0.00 H new ATOM 0 HD2 ARG A 5 14.069 -2.811 -8.019 1.00 0.00 H new ATOM 0 HD3 ARG A 5 13.123 -1.470 -8.633 1.00 0.00 H new ATOM 0 HE ARG A 5 12.143 -2.048 -6.033 1.00 0.00 H new ATOM 0 HH11 ARG A 5 15.095 -0.923 -7.610 1.00 0.00 H new ATOM 0 HH12 ARG A 5 15.617 0.026 -6.214 1.00 0.00 H new ATOM 0 HH21 ARG A 5 12.820 -0.826 -4.244 1.00 0.00 H new ATOM 0 HH22 ARG A 5 14.334 0.080 -4.316 1.00 0.00 H new ATOM 84 N VAL A 6 13.895 -5.779 -10.618 1.00 0.00 N ATOM 85 CA VAL A 6 15.097 -6.549 -10.324 1.00 0.00 C ATOM 86 C VAL A 6 15.821 -5.992 -9.103 1.00 0.00 C ATOM 87 O VAL A 6 15.982 -4.780 -8.963 1.00 0.00 O ATOM 88 CB VAL A 6 16.066 -6.557 -11.521 1.00 0.00 C ATOM 89 CG1 VAL A 6 16.475 -5.139 -11.887 1.00 0.00 C ATOM 90 CG2 VAL A 6 17.287 -7.410 -11.212 1.00 0.00 C ATOM 0 H VAL A 6 13.922 -5.278 -11.506 1.00 0.00 H new ATOM 0 HA VAL A 6 14.776 -7.570 -10.119 1.00 0.00 H new ATOM 0 HB VAL A 6 15.553 -6.994 -12.378 1.00 0.00 H new ATOM 0 HG11 VAL A 6 17.160 -5.165 -12.735 1.00 0.00 H new ATOM 0 HG12 VAL A 6 15.589 -4.562 -12.153 1.00 0.00 H new ATOM 0 HG13 VAL A 6 16.970 -4.672 -11.035 1.00 0.00 H new ATOM 0 HG21 VAL A 6 17.961 -7.404 -12.069 1.00 0.00 H new ATOM 0 HG22 VAL A 6 17.803 -7.005 -10.342 1.00 0.00 H new ATOM 0 HG23 VAL A 6 16.973 -8.433 -11.004 1.00 0.00 H new ATOM 100 N GLY A 7 16.257 -6.886 -8.221 1.00 0.00 N ATOM 101 CA GLY A 7 16.959 -6.465 -7.022 1.00 0.00 C ATOM 102 C GLY A 7 16.176 -6.760 -5.758 1.00 0.00 C ATOM 103 O GLY A 7 16.715 -6.683 -4.653 1.00 0.00 O ATOM 0 H GLY A 7 16.137 -7.895 -8.315 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.924 -6.969 -6.974 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.161 -5.395 -7.079 1.00 0.00 H new ATOM 107 N LEU A 8 14.901 -7.097 -5.918 1.00 0.00 N ATOM 108 CA LEU A 8 14.042 -7.403 -4.780 1.00 0.00 C ATOM 109 C LEU A 8 14.650 -8.506 -3.920 1.00 0.00 C ATOM 110 O LEU A 8 14.642 -8.424 -2.691 1.00 0.00 O ATOM 111 CB LEU A 8 12.653 -7.825 -5.263 1.00 0.00 C ATOM 112 CG LEU A 8 11.551 -6.772 -5.141 1.00 0.00 C ATOM 113 CD1 LEU A 8 10.411 -7.078 -6.099 1.00 0.00 C ATOM 114 CD2 LEU A 8 11.041 -6.698 -3.709 1.00 0.00 C ATOM 0 H LEU A 8 14.439 -7.165 -6.825 1.00 0.00 H new ATOM 0 HA LEU A 8 13.951 -6.502 -4.173 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.729 -8.123 -6.309 1.00 0.00 H new ATOM 0 HB3 LEU A 8 12.348 -8.708 -4.701 1.00 0.00 H new ATOM 0 HG LEU A 8 11.971 -5.802 -5.407 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.636 -6.318 -5.998 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.786 -7.079 -7.122 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.992 -8.057 -5.865 1.00 0.00 H new ATOM 0 HD21 LEU A 8 10.257 -5.944 -3.640 1.00 0.00 H new ATOM 0 HD22 LEU A 8 10.638 -7.667 -3.416 1.00 0.00 H new ATOM 0 HD23 LEU A 8 11.862 -6.430 -3.044 1.00 0.00 H new ATOM 126 N CYS A 9 15.177 -9.536 -4.573 1.00 0.00 N ATOM 127 CA CYS A 9 15.791 -10.655 -3.868 1.00 0.00 C ATOM 128 C CYS A 9 16.783 -11.386 -4.767 1.00 0.00 C ATOM 129 O CYS A 9 16.748 -11.272 -5.993 1.00 0.00 O ATOM 130 CB CYS A 9 14.717 -11.627 -3.377 1.00 0.00 C ATOM 131 SG CYS A 9 14.249 -11.398 -1.646 1.00 0.00 S ATOM 0 H CYS A 9 15.191 -9.619 -5.590 1.00 0.00 H new ATOM 0 HA CYS A 9 16.332 -10.258 -3.009 1.00 0.00 H new ATOM 0 HB2 CYS A 9 13.829 -11.516 -4.000 1.00 0.00 H new ATOM 0 HB3 CYS A 9 15.076 -12.647 -3.513 1.00 0.00 H new ATOM 0 HG CYS A 9 14.220 -10.128 -1.369 1.00 0.00 H new ATOM 137 N PRO A 10 17.691 -12.153 -4.146 1.00 0.00 N ATOM 138 CA PRO A 10 18.711 -12.917 -4.871 1.00 0.00 C ATOM 139 C PRO A 10 18.116 -14.083 -5.652 1.00 0.00 C ATOM 140 O PRO A 10 17.321 -14.857 -5.121 1.00 0.00 O ATOM 141 CB PRO A 10 19.627 -13.431 -3.758 1.00 0.00 C ATOM 142 CG PRO A 10 18.762 -13.475 -2.545 1.00 0.00 C ATOM 143 CD PRO A 10 17.792 -12.335 -2.688 1.00 0.00 C ATOM 0 HA PRO A 10 19.223 -12.308 -5.616 1.00 0.00 H new ATOM 0 HB2 PRO A 10 20.025 -14.417 -3.997 1.00 0.00 H new ATOM 0 HB3 PRO A 10 20.481 -12.770 -3.611 1.00 0.00 H new ATOM 0 HG2 PRO A 10 18.237 -14.428 -2.474 1.00 0.00 H new ATOM 0 HG3 PRO A 10 19.357 -13.370 -1.637 1.00 0.00 H new ATOM 0 HD2 PRO A 10 16.825 -12.572 -2.245 1.00 0.00 H new ATOM 0 HD3 PRO A 10 18.156 -11.434 -2.195 1.00 0.00 H new ATOM 151 N GLY A 11 18.506 -14.203 -6.918 1.00 0.00 N ATOM 152 CA GLY A 11 18.001 -15.278 -7.752 1.00 0.00 C ATOM 153 C GLY A 11 17.167 -14.769 -8.911 1.00 0.00 C ATOM 154 O GLY A 11 17.235 -15.306 -10.017 1.00 0.00 O ATOM 0 H GLY A 11 19.163 -13.575 -7.381 1.00 0.00 H new ATOM 0 HA2 GLY A 11 18.839 -15.858 -8.138 1.00 0.00 H new ATOM 0 HA3 GLY A 11 17.399 -15.953 -7.144 1.00 0.00 H new ATOM 158 N LEU A 12 16.375 -13.733 -8.658 1.00 0.00 N ATOM 159 CA LEU A 12 15.522 -13.152 -9.689 1.00 0.00 C ATOM 160 C LEU A 12 16.330 -12.261 -10.626 1.00 0.00 C ATOM 161 O LEU A 12 17.158 -11.464 -10.183 1.00 0.00 O ATOM 162 CB LEU A 12 14.391 -12.345 -9.048 1.00 0.00 C ATOM 163 CG LEU A 12 13.084 -13.100 -8.801 1.00 0.00 C ATOM 164 CD1 LEU A 12 12.111 -12.238 -8.013 1.00 0.00 C ATOM 165 CD2 LEU A 12 12.465 -13.539 -10.120 1.00 0.00 C ATOM 0 H LEU A 12 16.306 -13.278 -7.748 1.00 0.00 H new ATOM 0 HA LEU A 12 15.093 -13.967 -10.273 1.00 0.00 H new ATOM 0 HB2 LEU A 12 14.746 -11.953 -8.095 1.00 0.00 H new ATOM 0 HB3 LEU A 12 14.177 -11.487 -9.686 1.00 0.00 H new ATOM 0 HG LEU A 12 13.306 -13.991 -8.213 1.00 0.00 H new ATOM 0 HD11 LEU A 12 11.187 -12.792 -7.847 1.00 0.00 H new ATOM 0 HD12 LEU A 12 12.554 -11.974 -7.053 1.00 0.00 H new ATOM 0 HD13 LEU A 12 11.894 -11.329 -8.574 1.00 0.00 H new ATOM 0 HD21 LEU A 12 11.536 -14.075 -9.925 1.00 0.00 H new ATOM 0 HD22 LEU A 12 12.257 -12.663 -10.734 1.00 0.00 H new ATOM 0 HD23 LEU A 12 13.158 -14.195 -10.647 1.00 0.00 H new ATOM 177 N THR A 13 16.083 -12.399 -11.925 1.00 0.00 N ATOM 178 CA THR A 13 16.786 -11.606 -12.925 1.00 0.00 C ATOM 179 C THR A 13 15.824 -10.698 -13.684 1.00 0.00 C ATOM 180 O THR A 13 14.622 -10.957 -13.733 1.00 0.00 O ATOM 181 CB THR A 13 17.529 -12.503 -13.933 1.00 0.00 C ATOM 182 OG1 THR A 13 18.014 -11.716 -15.026 1.00 0.00 O ATOM 183 CG2 THR A 13 16.615 -13.600 -14.458 1.00 0.00 C ATOM 0 H THR A 13 15.401 -13.053 -12.309 1.00 0.00 H new ATOM 0 HA THR A 13 17.512 -10.995 -12.389 1.00 0.00 H new ATOM 0 HB THR A 13 18.371 -12.968 -13.419 1.00 0.00 H new ATOM 0 HG1 THR A 13 18.486 -12.294 -15.661 1.00 0.00 H new ATOM 0 HG21 THR A 13 17.162 -14.220 -15.168 1.00 0.00 H new ATOM 0 HG22 THR A 13 16.272 -14.216 -13.627 1.00 0.00 H new ATOM 0 HG23 THR A 13 15.756 -13.150 -14.956 1.00 0.00 H new ATOM 191 N GLU A 14 16.361 -9.635 -14.274 1.00 0.00 N ATOM 192 CA GLU A 14 15.548 -8.690 -15.030 1.00 0.00 C ATOM 193 C GLU A 14 14.834 -9.388 -16.184 1.00 0.00 C ATOM 194 O GLU A 14 13.766 -8.958 -16.617 1.00 0.00 O ATOM 195 CB GLU A 14 16.418 -7.551 -15.568 1.00 0.00 C ATOM 196 CG GLU A 14 17.468 -8.007 -16.566 1.00 0.00 C ATOM 197 CD GLU A 14 18.493 -6.931 -16.867 1.00 0.00 C ATOM 198 OE1 GLU A 14 18.456 -5.874 -16.202 1.00 0.00 O ATOM 199 OE2 GLU A 14 19.332 -7.144 -17.767 1.00 0.00 O ATOM 0 H GLU A 14 17.355 -9.407 -14.243 1.00 0.00 H new ATOM 0 HA GLU A 14 14.796 -8.277 -14.357 1.00 0.00 H new ATOM 0 HB2 GLU A 14 15.777 -6.808 -16.042 1.00 0.00 H new ATOM 0 HB3 GLU A 14 16.914 -7.057 -14.732 1.00 0.00 H new ATOM 0 HG2 GLU A 14 17.976 -8.889 -16.176 1.00 0.00 H new ATOM 0 HG3 GLU A 14 16.978 -8.306 -17.492 1.00 0.00 H new ATOM 206 N GLU A 15 15.435 -10.466 -16.678 1.00 0.00 N ATOM 207 CA GLU A 15 14.857 -11.222 -17.783 1.00 0.00 C ATOM 208 C GLU A 15 13.478 -11.760 -17.412 1.00 0.00 C ATOM 209 O GLU A 15 12.549 -11.726 -18.219 1.00 0.00 O ATOM 210 CB GLU A 15 15.779 -12.379 -18.176 1.00 0.00 C ATOM 211 CG GLU A 15 16.726 -12.043 -19.316 1.00 0.00 C ATOM 212 CD GLU A 15 17.351 -13.276 -19.938 1.00 0.00 C ATOM 213 OE1 GLU A 15 17.270 -14.358 -19.319 1.00 0.00 O ATOM 214 OE2 GLU A 15 17.921 -13.160 -21.043 1.00 0.00 O ATOM 0 H GLU A 15 16.320 -10.835 -16.331 1.00 0.00 H new ATOM 0 HA GLU A 15 14.748 -10.548 -18.633 1.00 0.00 H new ATOM 0 HB2 GLU A 15 16.363 -12.678 -17.306 1.00 0.00 H new ATOM 0 HB3 GLU A 15 15.170 -13.237 -18.462 1.00 0.00 H new ATOM 0 HG2 GLU A 15 16.184 -11.489 -20.082 1.00 0.00 H new ATOM 0 HG3 GLU A 15 17.515 -11.387 -18.947 1.00 0.00 H new ATOM 221 N MET A 16 13.353 -12.257 -16.186 1.00 0.00 N ATOM 222 CA MET A 16 12.088 -12.802 -15.707 1.00 0.00 C ATOM 223 C MET A 16 11.049 -11.697 -15.541 1.00 0.00 C ATOM 224 O MET A 16 9.866 -11.899 -15.817 1.00 0.00 O ATOM 225 CB MET A 16 12.292 -13.531 -14.378 1.00 0.00 C ATOM 226 CG MET A 16 12.372 -15.042 -14.519 1.00 0.00 C ATOM 227 SD MET A 16 13.927 -15.590 -15.249 1.00 0.00 S ATOM 228 CE MET A 16 14.578 -16.613 -13.931 1.00 0.00 C ATOM 0 H MET A 16 14.112 -12.294 -15.506 1.00 0.00 H new ATOM 0 HA MET A 16 11.722 -13.512 -16.449 1.00 0.00 H new ATOM 0 HB2 MET A 16 13.208 -13.169 -13.912 1.00 0.00 H new ATOM 0 HB3 MET A 16 11.471 -13.280 -13.706 1.00 0.00 H new ATOM 0 HG2 MET A 16 12.254 -15.501 -13.538 1.00 0.00 H new ATOM 0 HG3 MET A 16 11.543 -15.390 -15.135 1.00 0.00 H new ATOM 0 HE1 MET A 16 15.541 -17.026 -14.233 1.00 0.00 H new ATOM 0 HE2 MET A 16 14.707 -16.010 -13.032 1.00 0.00 H new ATOM 0 HE3 MET A 16 13.883 -17.427 -13.725 1.00 0.00 H new ATOM 238 N ILE A 17 11.498 -10.532 -15.087 1.00 0.00 N ATOM 239 CA ILE A 17 10.607 -9.397 -14.885 1.00 0.00 C ATOM 240 C ILE A 17 10.151 -8.811 -16.217 1.00 0.00 C ATOM 241 O ILE A 17 9.008 -8.376 -16.356 1.00 0.00 O ATOM 242 CB ILE A 17 11.284 -8.290 -14.056 1.00 0.00 C ATOM 243 CG1 ILE A 17 11.718 -8.836 -12.694 1.00 0.00 C ATOM 244 CG2 ILE A 17 10.343 -7.107 -13.883 1.00 0.00 C ATOM 245 CD1 ILE A 17 13.106 -8.400 -12.282 1.00 0.00 C ATOM 0 H ILE A 17 12.474 -10.350 -14.852 1.00 0.00 H new ATOM 0 HA ILE A 17 9.741 -9.770 -14.339 1.00 0.00 H new ATOM 0 HB ILE A 17 12.171 -7.948 -14.589 1.00 0.00 H new ATOM 0 HG12 ILE A 17 11.004 -8.511 -11.937 1.00 0.00 H new ATOM 0 HG13 ILE A 17 11.681 -9.925 -12.720 1.00 0.00 H new ATOM 0 HG21 ILE A 17 10.836 -6.333 -13.295 1.00 0.00 H new ATOM 0 HG22 ILE A 17 10.079 -6.706 -14.862 1.00 0.00 H new ATOM 0 HG23 ILE A 17 9.439 -7.433 -13.368 1.00 0.00 H new ATOM 0 HD11 ILE A 17 13.346 -8.824 -11.307 1.00 0.00 H new ATOM 0 HD12 ILE A 17 13.830 -8.749 -13.018 1.00 0.00 H new ATOM 0 HD13 ILE A 17 13.143 -7.312 -12.223 1.00 0.00 H new ATOM 257 N GLN A 18 11.052 -8.806 -17.194 1.00 0.00 N ATOM 258 CA GLN A 18 10.742 -8.275 -18.516 1.00 0.00 C ATOM 259 C GLN A 18 9.539 -8.991 -19.122 1.00 0.00 C ATOM 260 O GLN A 18 8.681 -8.365 -19.746 1.00 0.00 O ATOM 261 CB GLN A 18 11.952 -8.415 -19.442 1.00 0.00 C ATOM 262 CG GLN A 18 11.863 -7.556 -20.693 1.00 0.00 C ATOM 263 CD GLN A 18 12.989 -7.830 -21.671 1.00 0.00 C ATOM 264 OE1 GLN A 18 12.757 -8.295 -22.787 1.00 0.00 O ATOM 265 NE2 GLN A 18 14.217 -7.543 -21.255 1.00 0.00 N ATOM 0 H GLN A 18 12.002 -9.164 -17.095 1.00 0.00 H new ATOM 0 HA GLN A 18 10.497 -7.219 -18.407 1.00 0.00 H new ATOM 0 HB2 GLN A 18 12.854 -8.147 -18.891 1.00 0.00 H new ATOM 0 HB3 GLN A 18 12.056 -9.460 -19.735 1.00 0.00 H new ATOM 0 HG2 GLN A 18 10.907 -7.736 -21.185 1.00 0.00 H new ATOM 0 HG3 GLN A 18 11.882 -6.504 -20.409 1.00 0.00 H new ATOM 0 HE21 GLN A 18 14.362 -7.159 -20.321 1.00 0.00 H new ATOM 0 HE22 GLN A 18 15.015 -7.707 -21.869 1.00 0.00 H new ATOM 274 N LEU A 19 9.482 -10.305 -18.934 1.00 0.00 N ATOM 275 CA LEU A 19 8.383 -11.106 -19.461 1.00 0.00 C ATOM 276 C LEU A 19 7.048 -10.650 -18.881 1.00 0.00 C ATOM 277 O LEU A 19 6.016 -10.706 -19.551 1.00 0.00 O ATOM 278 CB LEU A 19 8.609 -12.586 -19.148 1.00 0.00 C ATOM 279 CG LEU A 19 8.039 -13.086 -17.820 1.00 0.00 C ATOM 280 CD1 LEU A 19 6.600 -13.546 -17.996 1.00 0.00 C ATOM 281 CD2 LEU A 19 8.897 -14.212 -17.261 1.00 0.00 C ATOM 0 H LEU A 19 10.184 -10.838 -18.421 1.00 0.00 H new ATOM 0 HA LEU A 19 8.353 -10.970 -20.542 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.173 -13.178 -19.953 1.00 0.00 H new ATOM 0 HB3 LEU A 19 9.682 -12.779 -19.155 1.00 0.00 H new ATOM 0 HG LEU A 19 8.050 -12.261 -17.108 1.00 0.00 H new ATOM 0 HD11 LEU A 19 6.211 -13.898 -17.041 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.992 -12.713 -18.350 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.564 -14.357 -18.724 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.476 -14.555 -16.316 1.00 0.00 H new ATOM 0 HD22 LEU A 19 8.919 -15.039 -17.970 1.00 0.00 H new ATOM 0 HD23 LEU A 19 9.911 -13.849 -17.096 1.00 0.00 H new ATOM 293 N LEU A 20 7.076 -10.196 -17.633 1.00 0.00 N ATOM 294 CA LEU A 20 5.869 -9.727 -16.962 1.00 0.00 C ATOM 295 C LEU A 20 5.289 -8.508 -17.674 1.00 0.00 C ATOM 296 O LEU A 20 4.071 -8.352 -17.766 1.00 0.00 O ATOM 297 CB LEU A 20 6.173 -9.382 -15.503 1.00 0.00 C ATOM 298 CG LEU A 20 7.062 -10.373 -14.751 1.00 0.00 C ATOM 299 CD1 LEU A 20 7.242 -9.938 -13.305 1.00 0.00 C ATOM 300 CD2 LEU A 20 6.475 -11.775 -14.819 1.00 0.00 C ATOM 0 H LEU A 20 7.922 -10.143 -17.065 1.00 0.00 H new ATOM 0 HA LEU A 20 5.131 -10.529 -16.993 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.650 -8.402 -15.474 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.228 -9.293 -14.967 1.00 0.00 H new ATOM 0 HG LEU A 20 8.041 -10.388 -15.229 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.877 -10.655 -12.786 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.708 -8.953 -13.277 1.00 0.00 H new ATOM 0 HD13 LEU A 20 6.269 -9.893 -12.815 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.121 -12.467 -14.278 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.483 -11.776 -14.367 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.400 -12.088 -15.860 1.00 0.00 H new ATOM 312 N ARG A 21 6.169 -7.649 -18.177 1.00 0.00 N ATOM 313 CA ARG A 21 5.745 -6.445 -18.881 1.00 0.00 C ATOM 314 C ARG A 21 5.120 -6.796 -20.228 1.00 0.00 C ATOM 315 O ARG A 21 4.265 -6.069 -20.735 1.00 0.00 O ATOM 316 CB ARG A 21 6.933 -5.504 -19.088 1.00 0.00 C ATOM 317 CG ARG A 21 6.537 -4.123 -19.586 1.00 0.00 C ATOM 318 CD ARG A 21 6.074 -3.232 -18.444 1.00 0.00 C ATOM 319 NE ARG A 21 6.140 -1.816 -18.794 1.00 0.00 N ATOM 320 CZ ARG A 21 5.742 -0.839 -17.986 1.00 0.00 C ATOM 321 NH1 ARG A 21 5.254 -1.125 -16.787 1.00 0.00 N ATOM 322 NH2 ARG A 21 5.834 0.426 -18.376 1.00 0.00 N ATOM 0 H ARG A 21 7.180 -7.764 -18.110 1.00 0.00 H new ATOM 0 HA ARG A 21 4.995 -5.942 -18.271 1.00 0.00 H new ATOM 0 HB2 ARG A 21 7.472 -5.401 -18.146 1.00 0.00 H new ATOM 0 HB3 ARG A 21 7.622 -5.955 -19.802 1.00 0.00 H new ATOM 0 HG2 ARG A 21 7.385 -3.660 -20.090 1.00 0.00 H new ATOM 0 HG3 ARG A 21 5.740 -4.215 -20.323 1.00 0.00 H new ATOM 0 HD2 ARG A 21 5.050 -3.491 -18.174 1.00 0.00 H new ATOM 0 HD3 ARG A 21 6.692 -3.418 -17.566 1.00 0.00 H new ATOM 0 HE ARG A 21 6.512 -1.563 -19.709 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.184 -2.096 -16.483 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.949 -0.374 -16.168 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.211 0.650 -19.297 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.528 1.175 -17.755 1.00 0.00 H new ATOM 336 N SER A 22 5.552 -7.914 -20.803 1.00 0.00 N ATOM 337 CA SER A 22 5.038 -8.358 -22.093 1.00 0.00 C ATOM 338 C SER A 22 3.568 -8.754 -21.985 1.00 0.00 C ATOM 339 O SER A 22 2.775 -8.490 -22.889 1.00 0.00 O ATOM 340 CB SER A 22 5.859 -9.540 -22.613 1.00 0.00 C ATOM 341 OG SER A 22 6.861 -9.107 -23.517 1.00 0.00 O ATOM 0 H SER A 22 6.257 -8.529 -20.396 1.00 0.00 H new ATOM 0 HA SER A 22 5.122 -7.529 -22.795 1.00 0.00 H new ATOM 0 HB2 SER A 22 6.322 -10.062 -21.775 1.00 0.00 H new ATOM 0 HB3 SER A 22 5.201 -10.254 -23.109 1.00 0.00 H new ATOM 0 HG SER A 22 7.373 -9.881 -23.833 1.00 0.00 H new ATOM 347 N HIS A 23 3.213 -9.388 -20.872 1.00 0.00 N ATOM 348 CA HIS A 23 1.838 -9.820 -20.645 1.00 0.00 C ATOM 349 C HIS A 23 1.032 -8.724 -19.953 1.00 0.00 C ATOM 350 O HIS A 23 -0.100 -8.950 -19.526 1.00 0.00 O ATOM 351 CB HIS A 23 1.815 -11.095 -19.802 1.00 0.00 C ATOM 352 CG HIS A 23 0.540 -11.871 -19.924 1.00 0.00 C ATOM 353 ND1 HIS A 23 0.054 -12.683 -18.921 1.00 0.00 N ATOM 354 CD2 HIS A 23 -0.352 -11.954 -20.939 1.00 0.00 C ATOM 355 CE1 HIS A 23 -1.081 -13.233 -19.315 1.00 0.00 C ATOM 356 NE2 HIS A 23 -1.350 -12.806 -20.535 1.00 0.00 N ATOM 0 H HIS A 23 3.857 -9.614 -20.114 1.00 0.00 H new ATOM 0 HA HIS A 23 1.383 -10.025 -21.614 1.00 0.00 H new ATOM 0 HB2 HIS A 23 2.648 -11.732 -20.099 1.00 0.00 H new ATOM 0 HB3 HIS A 23 1.972 -10.832 -18.756 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -0.290 -11.445 -21.889 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -1.686 -13.916 -18.737 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -2.167 -13.067 -21.088 1.00 0.00 H new ATOM 364 N ARG A 24 1.624 -7.539 -19.845 1.00 0.00 N ATOM 365 CA ARG A 24 0.962 -6.410 -19.203 1.00 0.00 C ATOM 366 C ARG A 24 0.516 -6.773 -17.790 1.00 0.00 C ATOM 367 O ARG A 24 -0.564 -6.378 -17.349 1.00 0.00 O ATOM 368 CB ARG A 24 -0.244 -5.961 -20.031 1.00 0.00 C ATOM 369 CG ARG A 24 0.100 -5.610 -21.469 1.00 0.00 C ATOM 370 CD ARG A 24 -0.883 -4.605 -22.047 1.00 0.00 C ATOM 371 NE ARG A 24 -0.689 -4.412 -23.482 1.00 0.00 N ATOM 372 CZ ARG A 24 -1.422 -3.585 -24.219 1.00 0.00 C ATOM 373 NH1 ARG A 24 -2.394 -2.878 -23.659 1.00 0.00 N ATOM 374 NH2 ARG A 24 -1.184 -3.464 -25.518 1.00 0.00 N ATOM 0 H ARG A 24 2.561 -7.336 -20.194 1.00 0.00 H new ATOM 0 HA ARG A 24 1.677 -5.589 -19.140 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.991 -6.755 -20.029 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -0.699 -5.093 -19.553 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.109 -5.200 -21.513 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.096 -6.515 -22.077 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -1.901 -4.946 -21.862 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -0.769 -3.650 -21.534 1.00 0.00 H new ATOM 0 HE ARG A 24 0.050 -4.942 -23.944 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -2.580 -2.969 -22.660 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.956 -2.244 -24.227 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.437 -4.006 -25.952 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.748 -2.829 -26.083 1.00 0.00 H new ATOM 388 N ILE A 25 1.354 -7.527 -17.086 1.00 0.00 N ATOM 389 CA ILE A 25 1.046 -7.942 -15.723 1.00 0.00 C ATOM 390 C ILE A 25 1.021 -6.747 -14.777 1.00 0.00 C ATOM 391 O ILE A 25 1.743 -5.770 -14.974 1.00 0.00 O ATOM 392 CB ILE A 25 2.066 -8.973 -15.205 1.00 0.00 C ATOM 393 CG1 ILE A 25 2.109 -10.191 -16.130 1.00 0.00 C ATOM 394 CG2 ILE A 25 1.720 -9.393 -13.784 1.00 0.00 C ATOM 395 CD1 ILE A 25 2.972 -11.317 -15.607 1.00 0.00 C ATOM 0 H ILE A 25 2.251 -7.863 -17.437 1.00 0.00 H new ATOM 0 HA ILE A 25 0.058 -8.402 -15.748 1.00 0.00 H new ATOM 0 HB ILE A 25 3.053 -8.512 -15.197 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.094 -10.561 -16.278 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.481 -9.882 -17.107 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.450 -10.122 -13.432 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.736 -8.519 -13.132 1.00 0.00 H new ATOM 0 HG23 ILE A 25 0.726 -9.839 -13.768 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.955 -12.147 -16.314 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.996 -10.964 -15.486 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.587 -11.653 -14.644 1.00 0.00 H new ATOM 407 N LYS A 26 0.187 -6.833 -13.746 1.00 0.00 N ATOM 408 CA LYS A 26 0.069 -5.760 -12.765 1.00 0.00 C ATOM 409 C LYS A 26 1.099 -5.925 -11.653 1.00 0.00 C ATOM 410 O LYS A 26 1.984 -6.778 -11.733 1.00 0.00 O ATOM 411 CB LYS A 26 -1.341 -5.738 -12.171 1.00 0.00 C ATOM 412 CG LYS A 26 -2.114 -4.470 -12.488 1.00 0.00 C ATOM 413 CD LYS A 26 -2.967 -4.634 -13.735 1.00 0.00 C ATOM 414 CE LYS A 26 -3.439 -3.290 -14.268 1.00 0.00 C ATOM 415 NZ LYS A 26 -4.484 -2.684 -13.397 1.00 0.00 N ATOM 0 H LYS A 26 -0.418 -7.635 -13.568 1.00 0.00 H new ATOM 0 HA LYS A 26 0.257 -4.814 -13.273 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.898 -6.597 -12.546 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.272 -5.851 -11.089 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.751 -4.210 -11.642 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.417 -3.644 -12.629 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.393 -5.150 -14.504 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.830 -5.260 -13.507 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.590 -2.611 -14.343 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.835 -3.418 -15.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.779 -1.769 -13.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.305 -3.320 -13.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -4.098 -2.538 -12.442 1.00 0.00 H new ATOM 429 N THR A 27 0.978 -5.105 -10.613 1.00 0.00 N ATOM 430 CA THR A 27 1.898 -5.161 -9.484 1.00 0.00 C ATOM 431 C THR A 27 1.674 -6.420 -8.654 1.00 0.00 C ATOM 432 O THR A 27 0.838 -7.258 -8.992 1.00 0.00 O ATOM 433 CB THR A 27 1.746 -3.927 -8.575 1.00 0.00 C ATOM 434 OG1 THR A 27 0.370 -3.739 -8.229 1.00 0.00 O ATOM 435 CG2 THR A 27 2.275 -2.678 -9.265 1.00 0.00 C ATOM 0 H THR A 27 0.251 -4.394 -10.530 1.00 0.00 H new ATOM 0 HA THR A 27 2.906 -5.177 -9.898 1.00 0.00 H new ATOM 0 HB THR A 27 2.328 -4.097 -7.669 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.289 -3.629 -7.259 1.00 0.00 H new ATOM 0 HG21 THR A 27 2.157 -1.819 -8.604 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.331 -2.812 -9.501 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.717 -2.507 -10.185 1.00 0.00 H new ATOM 443 N VAL A 28 2.427 -6.547 -7.566 1.00 0.00 N ATOM 444 CA VAL A 28 2.310 -7.704 -6.686 1.00 0.00 C ATOM 445 C VAL A 28 0.850 -8.003 -6.364 1.00 0.00 C ATOM 446 O VAL A 28 0.479 -9.152 -6.124 1.00 0.00 O ATOM 447 CB VAL A 28 3.080 -7.488 -5.370 1.00 0.00 C ATOM 448 CG1 VAL A 28 3.003 -8.731 -4.496 1.00 0.00 C ATOM 449 CG2 VAL A 28 4.528 -7.117 -5.656 1.00 0.00 C ATOM 0 H VAL A 28 3.125 -5.863 -7.273 1.00 0.00 H new ATOM 0 HA VAL A 28 2.744 -8.551 -7.217 1.00 0.00 H new ATOM 0 HB VAL A 28 2.617 -6.663 -4.829 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.553 -8.560 -3.571 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.960 -8.949 -4.264 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.441 -9.577 -5.027 1.00 0.00 H new ATOM 0 HG21 VAL A 28 5.058 -6.968 -4.715 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.005 -7.920 -6.218 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.559 -6.197 -6.240 1.00 0.00 H new ATOM 459 N VAL A 29 0.024 -6.961 -6.362 1.00 0.00 N ATOM 460 CA VAL A 29 -1.396 -7.113 -6.071 1.00 0.00 C ATOM 461 C VAL A 29 -2.043 -8.132 -7.002 1.00 0.00 C ATOM 462 O VAL A 29 -2.839 -8.966 -6.570 1.00 0.00 O ATOM 463 CB VAL A 29 -2.142 -5.771 -6.201 1.00 0.00 C ATOM 464 CG1 VAL A 29 -1.634 -4.776 -5.168 1.00 0.00 C ATOM 465 CG2 VAL A 29 -1.993 -5.213 -7.608 1.00 0.00 C ATOM 0 H VAL A 29 0.314 -6.003 -6.559 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.472 -7.466 -5.042 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.202 -5.944 -6.014 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.172 -3.834 -5.275 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.797 -5.176 -4.167 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.569 -4.605 -5.321 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.526 -4.265 -7.682 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.937 -5.053 -7.826 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.409 -5.920 -8.326 1.00 0.00 H new ATOM 475 N ASP A 30 -1.694 -8.061 -8.282 1.00 0.00 N ATOM 476 CA ASP A 30 -2.239 -8.979 -9.275 1.00 0.00 C ATOM 477 C ASP A 30 -1.650 -10.376 -9.105 1.00 0.00 C ATOM 478 O ASP A 30 -2.325 -11.379 -9.341 1.00 0.00 O ATOM 479 CB ASP A 30 -1.958 -8.462 -10.687 1.00 0.00 C ATOM 480 CG ASP A 30 -2.245 -9.502 -11.752 1.00 0.00 C ATOM 481 OD1 ASP A 30 -3.288 -10.182 -11.653 1.00 0.00 O ATOM 482 OD2 ASP A 30 -1.426 -9.637 -12.685 1.00 0.00 O ATOM 0 H ASP A 30 -1.036 -7.377 -8.656 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.317 -9.038 -9.126 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.566 -7.577 -10.874 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.915 -8.153 -10.757 1.00 0.00 H new ATOM 487 N LEU A 31 -0.388 -10.434 -8.694 1.00 0.00 N ATOM 488 CA LEU A 31 0.293 -11.708 -8.493 1.00 0.00 C ATOM 489 C LEU A 31 -0.512 -12.616 -7.569 1.00 0.00 C ATOM 490 O LEU A 31 -0.541 -13.834 -7.748 1.00 0.00 O ATOM 491 CB LEU A 31 1.688 -11.477 -7.910 1.00 0.00 C ATOM 492 CG LEU A 31 2.751 -12.512 -8.280 1.00 0.00 C ATOM 493 CD1 LEU A 31 2.364 -13.885 -7.751 1.00 0.00 C ATOM 494 CD2 LEU A 31 2.951 -12.556 -9.787 1.00 0.00 C ATOM 0 H LEU A 31 0.184 -9.614 -8.493 1.00 0.00 H new ATOM 0 HA LEU A 31 0.387 -12.198 -9.462 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.037 -10.496 -8.233 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.605 -11.444 -6.824 1.00 0.00 H new ATOM 0 HG LEU A 31 3.694 -12.219 -7.818 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.132 -14.609 -8.023 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.272 -13.844 -6.666 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.410 -14.186 -8.185 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.711 -13.298 -10.032 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.012 -12.825 -10.271 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.273 -11.576 -10.140 1.00 0.00 H new ATOM 506 N VAL A 32 -1.167 -12.015 -6.580 1.00 0.00 N ATOM 507 CA VAL A 32 -1.975 -12.769 -5.630 1.00 0.00 C ATOM 508 C VAL A 32 -3.000 -13.639 -6.349 1.00 0.00 C ATOM 509 O VAL A 32 -3.431 -14.668 -5.827 1.00 0.00 O ATOM 510 CB VAL A 32 -2.710 -11.833 -4.651 1.00 0.00 C ATOM 511 CG1 VAL A 32 -3.962 -11.260 -5.298 1.00 0.00 C ATOM 512 CG2 VAL A 32 -3.053 -12.569 -3.366 1.00 0.00 C ATOM 0 H VAL A 32 -1.153 -11.008 -6.416 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.291 -13.406 -5.069 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.047 -11.004 -4.402 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.468 -10.602 -4.592 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.685 -10.694 -6.188 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.631 -12.073 -5.579 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.572 -11.893 -2.687 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.697 -13.418 -3.594 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.137 -12.925 -2.895 1.00 0.00 H new ATOM 522 N SER A 33 -3.385 -13.220 -7.550 1.00 0.00 N ATOM 523 CA SER A 33 -4.362 -13.960 -8.340 1.00 0.00 C ATOM 524 C SER A 33 -3.677 -14.749 -9.451 1.00 0.00 C ATOM 525 O SER A 33 -4.194 -15.764 -9.917 1.00 0.00 O ATOM 526 CB SER A 33 -5.394 -13.003 -8.941 1.00 0.00 C ATOM 527 OG SER A 33 -6.263 -13.683 -9.830 1.00 0.00 O ATOM 0 H SER A 33 -3.036 -12.372 -7.997 1.00 0.00 H new ATOM 0 HA SER A 33 -4.870 -14.662 -7.679 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.974 -12.541 -8.142 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.884 -12.199 -9.471 1.00 0.00 H new ATOM 0 HG SER A 33 -6.914 -13.050 -10.199 1.00 0.00 H new ATOM 533 N ALA A 34 -2.509 -14.275 -9.871 1.00 0.00 N ATOM 534 CA ALA A 34 -1.750 -14.935 -10.926 1.00 0.00 C ATOM 535 C ALA A 34 -1.440 -16.382 -10.556 1.00 0.00 C ATOM 536 O ALA A 34 -1.822 -16.854 -9.484 1.00 0.00 O ATOM 537 CB ALA A 34 -0.464 -14.174 -11.208 1.00 0.00 C ATOM 0 H ALA A 34 -2.067 -13.435 -9.496 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.361 -14.940 -11.829 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.092 -14.679 -11.998 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.704 -13.159 -11.525 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.143 -14.138 -10.303 1.00 0.00 H new ATOM 543 N ASP A 35 -0.748 -17.081 -11.448 1.00 0.00 N ATOM 544 CA ASP A 35 -0.387 -18.474 -11.214 1.00 0.00 C ATOM 545 C ASP A 35 1.102 -18.606 -10.909 1.00 0.00 C ATOM 546 O ASP A 35 1.846 -19.246 -11.653 1.00 0.00 O ATOM 547 CB ASP A 35 -0.747 -19.328 -12.431 1.00 0.00 C ATOM 548 CG ASP A 35 -2.186 -19.134 -12.869 1.00 0.00 C ATOM 549 OD1 ASP A 35 -2.470 -18.117 -13.536 1.00 0.00 O ATOM 550 OD2 ASP A 35 -3.027 -19.997 -12.543 1.00 0.00 O ATOM 0 H ASP A 35 -0.426 -16.706 -12.340 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.950 -18.829 -10.351 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.082 -19.077 -13.257 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -0.580 -20.379 -12.196 1.00 0.00 H new ATOM 555 N LEU A 36 1.531 -17.995 -9.810 1.00 0.00 N ATOM 556 CA LEU A 36 2.932 -18.042 -9.406 1.00 0.00 C ATOM 557 C LEU A 36 3.410 -19.484 -9.266 1.00 0.00 C ATOM 558 O LEU A 36 4.544 -19.808 -9.617 1.00 0.00 O ATOM 559 CB LEU A 36 3.127 -17.298 -8.083 1.00 0.00 C ATOM 560 CG LEU A 36 4.521 -16.719 -7.839 1.00 0.00 C ATOM 561 CD1 LEU A 36 5.554 -17.831 -7.754 1.00 0.00 C ATOM 562 CD2 LEU A 36 4.888 -15.730 -8.936 1.00 0.00 C ATOM 0 H LEU A 36 0.929 -17.461 -9.183 1.00 0.00 H new ATOM 0 HA LEU A 36 3.525 -17.555 -10.181 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.404 -16.484 -8.037 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.891 -17.981 -7.267 1.00 0.00 H new ATOM 0 HG LEU A 36 4.511 -16.188 -6.887 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.540 -17.399 -7.580 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.301 -18.501 -6.932 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.563 -18.391 -8.689 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.883 -15.328 -8.746 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.880 -16.237 -9.901 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.164 -14.915 -8.948 1.00 0.00 H new ATOM 574 N GLU A 37 2.536 -20.345 -8.754 1.00 0.00 N ATOM 575 CA GLU A 37 2.870 -21.752 -8.571 1.00 0.00 C ATOM 576 C GLU A 37 3.275 -22.393 -9.895 1.00 0.00 C ATOM 577 O GLU A 37 4.225 -23.173 -9.954 1.00 0.00 O ATOM 578 CB GLU A 37 1.682 -22.507 -7.969 1.00 0.00 C ATOM 579 CG GLU A 37 0.416 -22.412 -8.803 1.00 0.00 C ATOM 580 CD GLU A 37 0.274 -23.562 -9.781 1.00 0.00 C ATOM 581 OE1 GLU A 37 1.227 -24.361 -9.898 1.00 0.00 O ATOM 582 OE2 GLU A 37 -0.788 -23.663 -10.430 1.00 0.00 O ATOM 0 H GLU A 37 1.593 -20.093 -8.459 1.00 0.00 H new ATOM 0 HA GLU A 37 3.715 -21.811 -7.885 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.951 -23.557 -7.851 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.481 -22.115 -6.972 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.450 -22.394 -8.141 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.417 -21.471 -9.353 1.00 0.00 H new ATOM 589 N GLU A 38 2.547 -22.057 -10.955 1.00 0.00 N ATOM 590 CA GLU A 38 2.830 -22.601 -12.279 1.00 0.00 C ATOM 591 C GLU A 38 4.066 -21.943 -12.884 1.00 0.00 C ATOM 592 O GLU A 38 4.962 -22.623 -13.385 1.00 0.00 O ATOM 593 CB GLU A 38 1.627 -22.400 -13.204 1.00 0.00 C ATOM 594 CG GLU A 38 1.495 -23.474 -14.270 1.00 0.00 C ATOM 595 CD GLU A 38 0.672 -23.018 -15.459 1.00 0.00 C ATOM 596 OE1 GLU A 38 0.732 -21.817 -15.797 1.00 0.00 O ATOM 597 OE2 GLU A 38 -0.032 -23.862 -16.052 1.00 0.00 O ATOM 0 H GLU A 38 1.758 -21.412 -10.924 1.00 0.00 H new ATOM 0 HA GLU A 38 3.023 -23.668 -12.172 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.717 -22.381 -12.604 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.710 -21.427 -13.688 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.488 -23.766 -14.611 1.00 0.00 H new ATOM 0 HG3 GLU A 38 1.035 -24.360 -13.833 1.00 0.00 H new ATOM 604 N VAL A 39 4.108 -20.615 -12.834 1.00 0.00 N ATOM 605 CA VAL A 39 5.234 -19.865 -13.377 1.00 0.00 C ATOM 606 C VAL A 39 6.544 -20.292 -12.725 1.00 0.00 C ATOM 607 O VAL A 39 7.567 -20.429 -13.396 1.00 0.00 O ATOM 608 CB VAL A 39 5.046 -18.349 -13.178 1.00 0.00 C ATOM 609 CG1 VAL A 39 6.205 -17.581 -13.794 1.00 0.00 C ATOM 610 CG2 VAL A 39 3.720 -17.895 -13.771 1.00 0.00 C ATOM 0 H VAL A 39 3.375 -20.037 -12.423 1.00 0.00 H new ATOM 0 HA VAL A 39 5.274 -20.083 -14.444 1.00 0.00 H new ATOM 0 HB VAL A 39 5.031 -18.140 -12.108 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.054 -16.512 -13.643 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.137 -17.886 -13.319 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.255 -17.793 -14.862 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.603 -16.822 -13.622 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.704 -18.117 -14.838 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.902 -18.421 -13.279 1.00 0.00 H new ATOM 620 N ALA A 40 6.506 -20.503 -11.414 1.00 0.00 N ATOM 621 CA ALA A 40 7.690 -20.918 -10.672 1.00 0.00 C ATOM 622 C ALA A 40 8.158 -22.301 -11.113 1.00 0.00 C ATOM 623 O ALA A 40 9.357 -22.573 -11.163 1.00 0.00 O ATOM 624 CB ALA A 40 7.406 -20.907 -9.177 1.00 0.00 C ATOM 0 H ALA A 40 5.668 -20.393 -10.843 1.00 0.00 H new ATOM 0 HA ALA A 40 8.489 -20.208 -10.885 1.00 0.00 H new ATOM 0 HB1 ALA A 40 8.299 -21.219 -8.635 1.00 0.00 H new ATOM 0 HB2 ALA A 40 7.127 -19.900 -8.867 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.589 -21.594 -8.957 1.00 0.00 H new ATOM 630 N GLN A 41 7.204 -23.170 -11.431 1.00 0.00 N ATOM 631 CA GLN A 41 7.520 -24.525 -11.867 1.00 0.00 C ATOM 632 C GLN A 41 8.249 -24.510 -13.206 1.00 0.00 C ATOM 633 O GLN A 41 9.299 -25.134 -13.361 1.00 0.00 O ATOM 634 CB GLN A 41 6.242 -25.358 -11.978 1.00 0.00 C ATOM 635 CG GLN A 41 5.851 -26.049 -10.682 1.00 0.00 C ATOM 636 CD GLN A 41 5.012 -27.291 -10.912 1.00 0.00 C ATOM 637 OE1 GLN A 41 5.053 -27.891 -11.986 1.00 0.00 O ATOM 638 NE2 GLN A 41 4.246 -27.683 -9.901 1.00 0.00 N ATOM 0 H GLN A 41 6.206 -22.960 -11.395 1.00 0.00 H new ATOM 0 HA GLN A 41 8.176 -24.976 -11.122 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.424 -24.712 -12.297 1.00 0.00 H new ATOM 0 HB3 GLN A 41 6.375 -26.110 -12.755 1.00 0.00 H new ATOM 0 HG2 GLN A 41 6.753 -26.321 -10.133 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.295 -25.351 -10.056 1.00 0.00 H new ATOM 0 HE21 GLN A 41 4.244 -27.155 -9.028 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.660 -28.512 -9.997 1.00 0.00 H new ATOM 647 N LYS A 42 7.686 -23.792 -14.173 1.00 0.00 N ATOM 648 CA LYS A 42 8.283 -23.694 -15.500 1.00 0.00 C ATOM 649 C LYS A 42 9.577 -22.889 -15.457 1.00 0.00 C ATOM 650 O LYS A 42 10.567 -23.253 -16.092 1.00 0.00 O ATOM 651 CB LYS A 42 7.299 -23.047 -16.477 1.00 0.00 C ATOM 652 CG LYS A 42 6.827 -21.670 -16.042 1.00 0.00 C ATOM 653 CD LYS A 42 5.763 -21.124 -16.980 1.00 0.00 C ATOM 654 CE LYS A 42 4.443 -21.860 -16.814 1.00 0.00 C ATOM 655 NZ LYS A 42 3.455 -21.061 -16.037 1.00 0.00 N ATOM 0 H LYS A 42 6.817 -23.270 -14.062 1.00 0.00 H new ATOM 0 HA LYS A 42 8.515 -24.703 -15.842 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.771 -22.967 -17.456 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.433 -23.699 -16.593 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.428 -21.724 -15.029 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.675 -20.986 -16.014 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.615 -20.062 -16.785 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.104 -21.215 -18.011 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.031 -22.092 -17.796 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.618 -22.810 -16.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 2.491 -21.348 -16.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.598 -21.225 -15.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.585 -20.050 -16.246 1.00 0.00 H new ATOM 669 N CYS A 43 9.563 -21.795 -14.703 1.00 0.00 N ATOM 670 CA CYS A 43 10.736 -20.938 -14.576 1.00 0.00 C ATOM 671 C CYS A 43 11.844 -21.645 -13.802 1.00 0.00 C ATOM 672 O CYS A 43 13.025 -21.352 -13.982 1.00 0.00 O ATOM 673 CB CYS A 43 10.365 -19.629 -13.878 1.00 0.00 C ATOM 674 SG CYS A 43 9.435 -18.477 -14.917 1.00 0.00 S ATOM 0 H CYS A 43 8.752 -21.481 -14.170 1.00 0.00 H new ATOM 0 HA CYS A 43 11.102 -20.715 -15.578 1.00 0.00 H new ATOM 0 HB2 CYS A 43 9.776 -19.857 -12.990 1.00 0.00 H new ATOM 0 HB3 CYS A 43 11.278 -19.140 -13.538 1.00 0.00 H new ATOM 0 HG CYS A 43 9.166 -17.401 -14.239 1.00 0.00 H new ATOM 680 N GLY A 44 11.454 -22.577 -12.938 1.00 0.00 N ATOM 681 CA GLY A 44 12.425 -23.309 -12.147 1.00 0.00 C ATOM 682 C GLY A 44 12.790 -22.590 -10.864 1.00 0.00 C ATOM 683 O GLY A 44 13.893 -22.757 -10.342 1.00 0.00 O ATOM 0 H GLY A 44 10.482 -22.838 -12.772 1.00 0.00 H new ATOM 0 HA2 GLY A 44 12.024 -24.294 -11.906 1.00 0.00 H new ATOM 0 HA3 GLY A 44 13.326 -23.468 -12.740 1.00 0.00 H new ATOM 687 N LEU A 45 11.863 -21.786 -10.355 1.00 0.00 N ATOM 688 CA LEU A 45 12.093 -21.036 -9.125 1.00 0.00 C ATOM 689 C LEU A 45 11.457 -21.741 -7.931 1.00 0.00 C ATOM 690 O LEU A 45 10.732 -22.722 -8.091 1.00 0.00 O ATOM 691 CB LEU A 45 11.530 -19.620 -9.255 1.00 0.00 C ATOM 692 CG LEU A 45 11.972 -18.833 -10.489 1.00 0.00 C ATOM 693 CD1 LEU A 45 10.940 -17.772 -10.843 1.00 0.00 C ATOM 694 CD2 LEU A 45 13.335 -18.197 -10.257 1.00 0.00 C ATOM 0 H LEU A 45 10.945 -21.637 -10.775 1.00 0.00 H new ATOM 0 HA LEU A 45 13.169 -20.979 -8.959 1.00 0.00 H new ATOM 0 HB2 LEU A 45 10.442 -19.682 -9.259 1.00 0.00 H new ATOM 0 HB3 LEU A 45 11.814 -19.055 -8.367 1.00 0.00 H new ATOM 0 HG LEU A 45 12.055 -19.525 -11.327 1.00 0.00 H new ATOM 0 HD11 LEU A 45 11.271 -17.222 -11.724 1.00 0.00 H new ATOM 0 HD12 LEU A 45 9.983 -18.251 -11.053 1.00 0.00 H new ATOM 0 HD13 LEU A 45 10.825 -17.083 -10.006 1.00 0.00 H new ATOM 0 HD21 LEU A 45 13.633 -17.641 -11.146 1.00 0.00 H new ATOM 0 HD22 LEU A 45 13.280 -17.518 -9.406 1.00 0.00 H new ATOM 0 HD23 LEU A 45 14.070 -18.976 -10.053 1.00 0.00 H new ATOM 706 N SER A 46 11.733 -21.231 -6.734 1.00 0.00 N ATOM 707 CA SER A 46 11.189 -21.813 -5.512 1.00 0.00 C ATOM 708 C SER A 46 9.906 -21.099 -5.095 1.00 0.00 C ATOM 709 O SER A 46 9.940 -19.964 -4.621 1.00 0.00 O ATOM 710 CB SER A 46 12.219 -21.736 -4.384 1.00 0.00 C ATOM 711 OG SER A 46 13.363 -22.517 -4.683 1.00 0.00 O ATOM 0 H SER A 46 12.329 -20.417 -6.585 1.00 0.00 H new ATOM 0 HA SER A 46 10.954 -22.859 -5.709 1.00 0.00 H new ATOM 0 HB2 SER A 46 12.514 -20.698 -4.227 1.00 0.00 H new ATOM 0 HB3 SER A 46 11.770 -22.084 -3.454 1.00 0.00 H new ATOM 0 HG SER A 46 14.007 -22.449 -3.947 1.00 0.00 H new ATOM 717 N TYR A 47 8.776 -21.774 -5.276 1.00 0.00 N ATOM 718 CA TYR A 47 7.482 -21.205 -4.921 1.00 0.00 C ATOM 719 C TYR A 47 7.398 -20.933 -3.423 1.00 0.00 C ATOM 720 O TYR A 47 6.783 -19.958 -2.989 1.00 0.00 O ATOM 721 CB TYR A 47 6.354 -22.148 -5.343 1.00 0.00 C ATOM 722 CG TYR A 47 4.974 -21.638 -4.992 1.00 0.00 C ATOM 723 CD1 TYR A 47 4.612 -20.323 -5.254 1.00 0.00 C ATOM 724 CD2 TYR A 47 4.034 -22.472 -4.400 1.00 0.00 C ATOM 725 CE1 TYR A 47 3.353 -19.852 -4.934 1.00 0.00 C ATOM 726 CE2 TYR A 47 2.772 -22.010 -4.079 1.00 0.00 C ATOM 727 CZ TYR A 47 2.436 -20.699 -4.347 1.00 0.00 C ATOM 728 OH TYR A 47 1.181 -20.235 -4.029 1.00 0.00 O ATOM 0 H TYR A 47 8.730 -22.715 -5.666 1.00 0.00 H new ATOM 0 HA TYR A 47 7.373 -20.258 -5.450 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.410 -22.308 -6.420 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.505 -23.117 -4.868 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.326 -19.657 -5.716 1.00 0.00 H new ATOM 0 HD2 TYR A 47 4.294 -23.498 -4.187 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.088 -18.826 -5.142 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.052 -22.672 -3.621 1.00 0.00 H new ATOM 0 HH TYR A 47 0.658 -20.958 -3.624 1.00 0.00 H new ATOM 738 N LYS A 48 8.023 -21.801 -2.635 1.00 0.00 N ATOM 739 CA LYS A 48 8.023 -21.656 -1.184 1.00 0.00 C ATOM 740 C LYS A 48 8.591 -20.301 -0.773 1.00 0.00 C ATOM 741 O LYS A 48 8.117 -19.682 0.179 1.00 0.00 O ATOM 742 CB LYS A 48 8.838 -22.779 -0.538 1.00 0.00 C ATOM 743 CG LYS A 48 10.243 -22.912 -1.101 1.00 0.00 C ATOM 744 CD LYS A 48 11.041 -23.974 -0.363 1.00 0.00 C ATOM 745 CE LYS A 48 12.462 -24.075 -0.896 1.00 0.00 C ATOM 746 NZ LYS A 48 13.258 -22.854 -0.589 1.00 0.00 N ATOM 0 H LYS A 48 8.537 -22.613 -2.977 1.00 0.00 H new ATOM 0 HA LYS A 48 6.991 -21.719 -0.838 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.901 -22.600 0.535 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.311 -23.723 -0.673 1.00 0.00 H new ATOM 0 HG2 LYS A 48 10.189 -23.166 -2.160 1.00 0.00 H new ATOM 0 HG3 LYS A 48 10.757 -21.954 -1.029 1.00 0.00 H new ATOM 0 HD2 LYS A 48 11.066 -23.738 0.701 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.544 -24.939 -0.463 1.00 0.00 H new ATOM 0 HE2 LYS A 48 12.952 -24.946 -0.461 1.00 0.00 H new ATOM 0 HE3 LYS A 48 12.435 -24.229 -1.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 14.261 -23.032 -0.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 12.917 -22.062 -1.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 13.152 -22.615 0.418 1.00 0.00 H new ATOM 760 N ALA A 49 9.607 -19.846 -1.498 1.00 0.00 N ATOM 761 CA ALA A 49 10.237 -18.563 -1.210 1.00 0.00 C ATOM 762 C ALA A 49 9.274 -17.409 -1.470 1.00 0.00 C ATOM 763 O ALA A 49 9.226 -16.443 -0.706 1.00 0.00 O ATOM 764 CB ALA A 49 11.500 -18.396 -2.041 1.00 0.00 C ATOM 0 H ALA A 49 10.012 -20.347 -2.289 1.00 0.00 H new ATOM 0 HA ALA A 49 10.506 -18.547 -0.154 1.00 0.00 H new ATOM 0 HB1 ALA A 49 11.959 -17.434 -1.815 1.00 0.00 H new ATOM 0 HB2 ALA A 49 12.200 -19.197 -1.804 1.00 0.00 H new ATOM 0 HB3 ALA A 49 11.247 -18.438 -3.100 1.00 0.00 H new ATOM 770 N LEU A 50 8.510 -17.514 -2.551 1.00 0.00 N ATOM 771 CA LEU A 50 7.548 -16.478 -2.912 1.00 0.00 C ATOM 772 C LEU A 50 6.360 -16.481 -1.955 1.00 0.00 C ATOM 773 O LEU A 50 5.840 -15.426 -1.592 1.00 0.00 O ATOM 774 CB LEU A 50 7.061 -16.685 -4.348 1.00 0.00 C ATOM 775 CG LEU A 50 6.628 -15.425 -5.097 1.00 0.00 C ATOM 776 CD1 LEU A 50 5.442 -14.772 -4.404 1.00 0.00 C ATOM 777 CD2 LEU A 50 7.787 -14.445 -5.209 1.00 0.00 C ATOM 0 H LEU A 50 8.538 -18.306 -3.193 1.00 0.00 H new ATOM 0 HA LEU A 50 8.047 -15.512 -2.839 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.858 -17.165 -4.915 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.221 -17.379 -4.329 1.00 0.00 H new ATOM 0 HG LEU A 50 6.322 -15.712 -6.103 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.148 -13.877 -4.952 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.606 -15.471 -4.377 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.720 -14.499 -3.386 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.460 -13.554 -5.745 1.00 0.00 H new ATOM 0 HD22 LEU A 50 8.124 -14.165 -4.211 1.00 0.00 H new ATOM 0 HD23 LEU A 50 8.608 -14.913 -5.751 1.00 0.00 H new ATOM 789 N VAL A 51 5.937 -17.673 -1.548 1.00 0.00 N ATOM 790 CA VAL A 51 4.813 -17.813 -0.630 1.00 0.00 C ATOM 791 C VAL A 51 5.120 -17.169 0.717 1.00 0.00 C ATOM 792 O VAL A 51 4.279 -16.480 1.293 1.00 0.00 O ATOM 793 CB VAL A 51 4.451 -19.293 -0.408 1.00 0.00 C ATOM 794 CG1 VAL A 51 3.281 -19.418 0.557 1.00 0.00 C ATOM 795 CG2 VAL A 51 4.133 -19.968 -1.734 1.00 0.00 C ATOM 0 H VAL A 51 6.356 -18.556 -1.840 1.00 0.00 H new ATOM 0 HA VAL A 51 3.965 -17.304 -1.088 1.00 0.00 H new ATOM 0 HB VAL A 51 5.311 -19.797 0.034 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.040 -20.471 0.702 1.00 0.00 H new ATOM 0 HG12 VAL A 51 3.550 -18.973 1.515 1.00 0.00 H new ATOM 0 HG13 VAL A 51 2.414 -18.900 0.147 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.879 -21.013 -1.558 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.289 -19.464 -2.206 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.002 -19.911 -2.389 1.00 0.00 H new ATOM 805 N ALA A 52 6.331 -17.398 1.214 1.00 0.00 N ATOM 806 CA ALA A 52 6.751 -16.837 2.492 1.00 0.00 C ATOM 807 C ALA A 52 6.674 -15.314 2.476 1.00 0.00 C ATOM 808 O ALA A 52 6.171 -14.698 3.416 1.00 0.00 O ATOM 809 CB ALA A 52 8.163 -17.293 2.830 1.00 0.00 C ATOM 0 H ALA A 52 7.039 -17.968 0.751 1.00 0.00 H new ATOM 0 HA ALA A 52 6.070 -17.200 3.261 1.00 0.00 H new ATOM 0 HB1 ALA A 52 8.464 -16.867 3.787 1.00 0.00 H new ATOM 0 HB2 ALA A 52 8.189 -18.381 2.893 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.849 -16.959 2.052 1.00 0.00 H new ATOM 815 N LEU A 53 7.176 -14.713 1.403 1.00 0.00 N ATOM 816 CA LEU A 53 7.164 -13.260 1.265 1.00 0.00 C ATOM 817 C LEU A 53 5.738 -12.721 1.306 1.00 0.00 C ATOM 818 O LEU A 53 5.481 -11.660 1.876 1.00 0.00 O ATOM 819 CB LEU A 53 7.841 -12.848 -0.043 1.00 0.00 C ATOM 820 CG LEU A 53 9.332 -13.164 -0.157 1.00 0.00 C ATOM 821 CD1 LEU A 53 9.814 -12.960 -1.585 1.00 0.00 C ATOM 822 CD2 LEU A 53 10.135 -12.303 0.807 1.00 0.00 C ATOM 0 H LEU A 53 7.596 -15.208 0.616 1.00 0.00 H new ATOM 0 HA LEU A 53 7.717 -12.835 2.103 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.322 -13.338 -0.867 1.00 0.00 H new ATOM 0 HB3 LEU A 53 7.707 -11.774 -0.176 1.00 0.00 H new ATOM 0 HG LEU A 53 9.483 -14.210 0.109 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.878 -13.190 -1.646 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.261 -13.620 -2.253 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.649 -11.924 -1.880 1.00 0.00 H new ATOM 0 HD21 LEU A 53 11.194 -12.542 0.712 1.00 0.00 H new ATOM 0 HD22 LEU A 53 9.978 -11.250 0.572 1.00 0.00 H new ATOM 0 HD23 LEU A 53 9.809 -12.500 1.828 1.00 0.00 H new ATOM 834 N ARG A 54 4.814 -13.459 0.700 1.00 0.00 N ATOM 835 CA ARG A 54 3.414 -13.055 0.668 1.00 0.00 C ATOM 836 C ARG A 54 2.853 -12.924 2.081 1.00 0.00 C ATOM 837 O ARG A 54 2.200 -11.934 2.410 1.00 0.00 O ATOM 838 CB ARG A 54 2.587 -14.067 -0.129 1.00 0.00 C ATOM 839 CG ARG A 54 1.493 -13.431 -0.971 1.00 0.00 C ATOM 840 CD ARG A 54 0.135 -13.545 -0.297 1.00 0.00 C ATOM 841 NE ARG A 54 -0.267 -14.936 -0.105 1.00 0.00 N ATOM 842 CZ ARG A 54 -1.463 -15.300 0.343 1.00 0.00 C ATOM 843 NH1 ARG A 54 -2.370 -14.381 0.643 1.00 0.00 N ATOM 844 NH2 ARG A 54 -1.753 -16.587 0.491 1.00 0.00 N ATOM 0 H ARG A 54 5.010 -14.340 0.225 1.00 0.00 H new ATOM 0 HA ARG A 54 3.354 -12.082 0.180 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.252 -14.634 -0.781 1.00 0.00 H new ATOM 0 HB3 ARG A 54 2.135 -14.778 0.562 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.728 -12.381 -1.142 1.00 0.00 H new ATOM 0 HG3 ARG A 54 1.457 -13.913 -1.948 1.00 0.00 H new ATOM 0 HD2 ARG A 54 0.166 -13.040 0.669 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.613 -13.032 -0.901 1.00 0.00 H new ATOM 0 HE ARG A 54 0.408 -15.668 -0.327 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.150 -13.391 0.530 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -3.288 -14.663 0.987 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.057 -17.296 0.261 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.672 -16.866 0.835 1.00 0.00 H new ATOM 858 N ARG A 55 3.113 -13.929 2.911 1.00 0.00 N ATOM 859 CA ARG A 55 2.633 -13.927 4.287 1.00 0.00 C ATOM 860 C ARG A 55 3.144 -12.701 5.039 1.00 0.00 C ATOM 861 O ARG A 55 2.421 -12.104 5.837 1.00 0.00 O ATOM 862 CB ARG A 55 3.079 -15.201 5.007 1.00 0.00 C ATOM 863 CG ARG A 55 2.068 -15.713 6.020 1.00 0.00 C ATOM 864 CD ARG A 55 2.735 -16.555 7.097 1.00 0.00 C ATOM 865 NE ARG A 55 1.831 -17.563 7.642 1.00 0.00 N ATOM 866 CZ ARG A 55 1.512 -18.685 7.008 1.00 0.00 C ATOM 867 NH1 ARG A 55 2.023 -18.942 5.812 1.00 0.00 N ATOM 868 NH2 ARG A 55 0.682 -19.554 7.570 1.00 0.00 N ATOM 0 H ARG A 55 3.654 -14.755 2.654 1.00 0.00 H new ATOM 0 HA ARG A 55 1.544 -13.892 4.265 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.266 -15.980 4.268 1.00 0.00 H new ATOM 0 HB3 ARG A 55 4.024 -15.010 5.515 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.555 -14.869 6.482 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.309 -16.307 5.510 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.615 -17.045 6.681 1.00 0.00 H new ATOM 0 HD3 ARG A 55 3.082 -15.906 7.901 1.00 0.00 H new ATOM 0 HE ARG A 55 1.422 -17.396 8.561 1.00 0.00 H new ATOM 0 HH11 ARG A 55 2.663 -18.277 5.377 1.00 0.00 H new ATOM 0 HH12 ARG A 55 1.777 -19.805 5.327 1.00 0.00 H new ATOM 0 HH21 ARG A 55 0.288 -19.361 8.491 1.00 0.00 H new ATOM 0 HH22 ARG A 55 0.438 -20.415 7.081 1.00 0.00 H new ATOM 882 N VAL A 56 4.394 -12.331 4.778 1.00 0.00 N ATOM 883 CA VAL A 56 5.001 -11.176 5.429 1.00 0.00 C ATOM 884 C VAL A 56 4.360 -9.877 4.953 1.00 0.00 C ATOM 885 O VAL A 56 4.144 -8.954 5.739 1.00 0.00 O ATOM 886 CB VAL A 56 6.517 -11.115 5.164 1.00 0.00 C ATOM 887 CG1 VAL A 56 7.126 -9.888 5.825 1.00 0.00 C ATOM 888 CG2 VAL A 56 7.194 -12.386 5.653 1.00 0.00 C ATOM 0 H VAL A 56 5.006 -12.814 4.120 1.00 0.00 H new ATOM 0 HA VAL A 56 4.831 -11.290 6.500 1.00 0.00 H new ATOM 0 HB VAL A 56 6.678 -11.036 4.089 1.00 0.00 H new ATOM 0 HG11 VAL A 56 8.198 -9.862 5.627 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.660 -8.989 5.422 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.957 -9.933 6.901 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.265 -12.326 5.458 1.00 0.00 H new ATOM 0 HG22 VAL A 56 7.026 -12.499 6.724 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.777 -13.245 5.128 1.00 0.00 H new ATOM 898 N LEU A 57 4.058 -9.811 3.661 1.00 0.00 N ATOM 899 CA LEU A 57 3.441 -8.625 3.078 1.00 0.00 C ATOM 900 C LEU A 57 2.048 -8.396 3.656 1.00 0.00 C ATOM 901 O LEU A 57 1.704 -7.282 4.053 1.00 0.00 O ATOM 902 CB LEU A 57 3.358 -8.764 1.557 1.00 0.00 C ATOM 903 CG LEU A 57 4.421 -8.011 0.756 1.00 0.00 C ATOM 904 CD1 LEU A 57 5.816 -8.416 1.207 1.00 0.00 C ATOM 905 CD2 LEU A 57 4.246 -8.267 -0.734 1.00 0.00 C ATOM 0 H LEU A 57 4.231 -10.566 2.997 1.00 0.00 H new ATOM 0 HA LEU A 57 4.063 -7.764 3.324 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.423 -9.822 1.305 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.376 -8.419 1.234 1.00 0.00 H new ATOM 0 HG LEU A 57 4.298 -6.944 0.939 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.559 -7.870 0.626 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.939 -8.182 2.264 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.951 -9.487 1.054 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.011 -7.723 -1.289 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.342 -9.334 -0.934 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.259 -7.927 -1.048 1.00 0.00 H new ATOM 917 N LEU A 58 1.251 -9.458 3.703 1.00 0.00 N ATOM 918 CA LEU A 58 -0.104 -9.375 4.235 1.00 0.00 C ATOM 919 C LEU A 58 -0.085 -9.214 5.751 1.00 0.00 C ATOM 920 O LEU A 58 -0.945 -8.547 6.326 1.00 0.00 O ATOM 921 CB LEU A 58 -0.901 -10.623 3.853 1.00 0.00 C ATOM 922 CG LEU A 58 -0.282 -11.963 4.251 1.00 0.00 C ATOM 923 CD1 LEU A 58 -0.693 -12.341 5.666 1.00 0.00 C ATOM 924 CD2 LEU A 58 -0.686 -13.051 3.267 1.00 0.00 C ATOM 0 H LEU A 58 1.520 -10.387 3.379 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.585 -8.498 3.801 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.889 -10.552 4.309 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.047 -10.620 2.773 1.00 0.00 H new ATOM 0 HG LEU A 58 0.803 -11.863 4.224 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.243 -13.297 5.932 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.352 -11.574 6.361 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.779 -12.423 5.720 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.236 -13.998 3.566 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.771 -13.151 3.261 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.340 -12.785 2.268 1.00 0.00 H new ATOM 936 N ALA A 59 0.902 -9.829 6.394 1.00 0.00 N ATOM 937 CA ALA A 59 1.036 -9.750 7.843 1.00 0.00 C ATOM 938 C ALA A 59 1.233 -8.309 8.299 1.00 0.00 C ATOM 939 O ALA A 59 0.550 -7.838 9.208 1.00 0.00 O ATOM 940 CB ALA A 59 2.195 -10.618 8.314 1.00 0.00 C ATOM 0 H ALA A 59 1.621 -10.388 5.934 1.00 0.00 H new ATOM 0 HA ALA A 59 0.113 -10.121 8.289 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.284 -10.550 9.398 1.00 0.00 H new ATOM 0 HB2 ALA A 59 2.013 -11.654 8.030 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.120 -10.272 7.852 1.00 0.00 H new ATOM 946 N GLN A 60 2.171 -7.614 7.663 1.00 0.00 N ATOM 947 CA GLN A 60 2.458 -6.226 8.005 1.00 0.00 C ATOM 948 C GLN A 60 1.345 -5.305 7.518 1.00 0.00 C ATOM 949 O GLN A 60 1.034 -4.298 8.155 1.00 0.00 O ATOM 950 CB GLN A 60 3.795 -5.795 7.400 1.00 0.00 C ATOM 951 CG GLN A 60 3.758 -5.646 5.888 1.00 0.00 C ATOM 952 CD GLN A 60 5.113 -5.300 5.303 1.00 0.00 C ATOM 953 OE1 GLN A 60 5.915 -6.184 4.998 1.00 0.00 O ATOM 954 NE2 GLN A 60 5.377 -4.008 5.143 1.00 0.00 N ATOM 0 H GLN A 60 2.745 -7.990 6.908 1.00 0.00 H new ATOM 0 HA GLN A 60 2.518 -6.150 9.091 1.00 0.00 H new ATOM 0 HB2 GLN A 60 4.096 -4.846 7.843 1.00 0.00 H new ATOM 0 HB3 GLN A 60 4.558 -6.527 7.666 1.00 0.00 H new ATOM 0 HG2 GLN A 60 3.401 -6.575 5.444 1.00 0.00 H new ATOM 0 HG3 GLN A 60 3.042 -4.869 5.621 1.00 0.00 H new ATOM 0 HE21 GLN A 60 4.684 -3.309 5.409 1.00 0.00 H new ATOM 0 HE22 GLN A 60 6.273 -3.715 4.754 1.00 0.00 H new ATOM 963 N PHE A 61 0.747 -5.655 6.384 1.00 0.00 N ATOM 964 CA PHE A 61 -0.331 -4.858 5.809 1.00 0.00 C ATOM 965 C PHE A 61 -1.510 -4.763 6.773 1.00 0.00 C ATOM 966 O PHE A 61 -2.204 -3.748 6.824 1.00 0.00 O ATOM 967 CB PHE A 61 -0.790 -5.464 4.482 1.00 0.00 C ATOM 968 CG PHE A 61 -1.827 -4.640 3.774 1.00 0.00 C ATOM 969 CD1 PHE A 61 -1.585 -3.311 3.468 1.00 0.00 C ATOM 970 CD2 PHE A 61 -3.045 -5.195 3.413 1.00 0.00 C ATOM 971 CE1 PHE A 61 -2.538 -2.550 2.817 1.00 0.00 C ATOM 972 CE2 PHE A 61 -4.002 -4.440 2.762 1.00 0.00 C ATOM 973 CZ PHE A 61 -3.747 -3.116 2.463 1.00 0.00 C ATOM 0 H PHE A 61 0.991 -6.486 5.845 1.00 0.00 H new ATOM 0 HA PHE A 61 0.050 -3.853 5.628 1.00 0.00 H new ATOM 0 HB2 PHE A 61 0.074 -5.585 3.829 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -1.193 -6.460 4.666 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -0.641 -2.864 3.741 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -3.248 -6.230 3.643 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.337 -1.514 2.586 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -4.947 -4.884 2.488 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.492 -2.524 1.953 1.00 0.00 H new