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 Set 1.1: A 16 MET CE :methyl 167:sc= -0.0362 (180deg=-0.0342) USER MOD Set 1.2: A 43 CYS SG : rot -100:sc= -0.166 USER MOD Single : A 9 CYS SG : rot 43:sc= -0.499 USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.261 USER MOD Single : A 18 GLN : amide:sc= -0.466 K(o=-0.47,f=-2.7!) USER MOD Single : A 22 SER OG : rot 65:sc= 0.552 USER MOD Single : A 23 HIS : no HD1:sc= -0.14 X(o=-0.14,f=-0.014) USER MOD Single : A 26 LYS NZ :NH3+ -170:sc=-0.00799 (180deg=-0.123) USER MOD Single : A 27 THR OG1 : rot 126:sc= -3.5! USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.269 X(o=-0.27,f=-0.06) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 41 N LEU A 4 7.259 -5.683 -8.520 1.00 0.00 N ATOM 42 CA LEU A 4 8.402 -6.588 -8.573 1.00 0.00 C ATOM 43 C LEU A 4 9.569 -5.947 -9.317 1.00 0.00 C ATOM 44 O LEU A 4 9.423 -5.502 -10.455 1.00 0.00 O ATOM 45 CB LEU A 4 8.008 -7.900 -9.253 1.00 0.00 C ATOM 46 CG LEU A 4 6.872 -8.684 -8.593 1.00 0.00 C ATOM 47 CD1 LEU A 4 6.092 -9.472 -9.634 1.00 0.00 C ATOM 48 CD2 LEU A 4 7.419 -9.611 -7.518 1.00 0.00 C ATOM 0 HA LEU A 4 8.717 -6.797 -7.551 1.00 0.00 H new ATOM 0 HB2 LEU A 4 7.722 -7.681 -10.282 1.00 0.00 H new ATOM 0 HB3 LEU A 4 8.888 -8.542 -9.297 1.00 0.00 H new ATOM 0 HG LEU A 4 6.192 -7.975 -8.121 1.00 0.00 H new ATOM 0 HD11 LEU A 4 5.288 -10.023 -9.146 1.00 0.00 H new ATOM 0 HD12 LEU A 4 5.668 -8.786 -10.367 1.00 0.00 H new ATOM 0 HD13 LEU A 4 6.760 -10.172 -10.136 1.00 0.00 H new ATOM 0 HD21 LEU A 4 6.597 -10.161 -7.059 1.00 0.00 H new ATOM 0 HD22 LEU A 4 8.120 -10.314 -7.967 1.00 0.00 H new ATOM 0 HD23 LEU A 4 7.932 -9.023 -6.757 1.00 0.00 H new ATOM 60 N ARG A 5 10.728 -5.907 -8.666 1.00 0.00 N ATOM 61 CA ARG A 5 11.921 -5.322 -9.266 1.00 0.00 C ATOM 62 C ARG A 5 13.105 -6.278 -9.164 1.00 0.00 C ATOM 63 O ARG A 5 13.050 -7.278 -8.447 1.00 0.00 O ATOM 64 CB ARG A 5 12.262 -3.996 -8.585 1.00 0.00 C ATOM 65 CG ARG A 5 12.610 -4.139 -7.112 1.00 0.00 C ATOM 66 CD ARG A 5 11.384 -3.961 -6.231 1.00 0.00 C ATOM 67 NE ARG A 5 11.170 -2.563 -5.866 1.00 0.00 N ATOM 68 CZ ARG A 5 10.342 -2.173 -4.903 1.00 0.00 C ATOM 69 NH1 ARG A 5 9.654 -3.071 -4.212 1.00 0.00 N ATOM 70 NH2 ARG A 5 10.202 -0.882 -4.630 1.00 0.00 N ATOM 0 H ARG A 5 10.865 -6.273 -7.724 1.00 0.00 H new ATOM 0 HA ARG A 5 11.714 -5.138 -10.320 1.00 0.00 H new ATOM 0 HB2 ARG A 5 13.102 -3.536 -9.105 1.00 0.00 H new ATOM 0 HB3 ARG A 5 11.415 -3.317 -8.685 1.00 0.00 H new ATOM 0 HG2 ARG A 5 13.048 -5.121 -6.934 1.00 0.00 H new ATOM 0 HG3 ARG A 5 13.364 -3.400 -6.842 1.00 0.00 H new ATOM 0 HD2 ARG A 5 10.505 -4.338 -6.753 1.00 0.00 H new ATOM 0 HD3 ARG A 5 11.498 -4.558 -5.326 1.00 0.00 H new ATOM 0 HE ARG A 5 11.685 -1.847 -6.379 1.00 0.00 H new ATOM 0 HH11 ARG A 5 9.760 -4.064 -4.419 1.00 0.00 H new ATOM 0 HH12 ARG A 5 9.019 -2.769 -3.473 1.00 0.00 H new ATOM 0 HH21 ARG A 5 10.730 -0.189 -5.160 1.00 0.00 H new ATOM 0 HH22 ARG A 5 9.566 -0.583 -3.891 1.00 0.00 H new ATOM 84 N VAL A 6 14.176 -5.965 -9.887 1.00 0.00 N ATOM 85 CA VAL A 6 15.374 -6.796 -9.878 1.00 0.00 C ATOM 86 C VAL A 6 15.968 -6.888 -8.476 1.00 0.00 C ATOM 87 O VAL A 6 16.055 -5.891 -7.761 1.00 0.00 O ATOM 88 CB VAL A 6 16.444 -6.249 -10.841 1.00 0.00 C ATOM 89 CG1 VAL A 6 15.870 -6.090 -12.241 1.00 0.00 C ATOM 90 CG2 VAL A 6 16.996 -4.927 -10.329 1.00 0.00 C ATOM 0 H VAL A 6 14.238 -5.142 -10.486 1.00 0.00 H new ATOM 0 HA VAL A 6 15.072 -7.790 -10.208 1.00 0.00 H new ATOM 0 HB VAL A 6 17.265 -6.965 -10.889 1.00 0.00 H new ATOM 0 HG11 VAL A 6 16.640 -5.702 -12.908 1.00 0.00 H new ATOM 0 HG12 VAL A 6 15.527 -7.058 -12.606 1.00 0.00 H new ATOM 0 HG13 VAL A 6 15.031 -5.395 -12.213 1.00 0.00 H new ATOM 0 HG21 VAL A 6 17.751 -4.555 -11.022 1.00 0.00 H new ATOM 0 HG22 VAL A 6 16.187 -4.201 -10.250 1.00 0.00 H new ATOM 0 HG23 VAL A 6 17.446 -5.076 -9.348 1.00 0.00 H new ATOM 100 N GLY A 7 16.376 -8.093 -8.091 1.00 0.00 N ATOM 101 CA GLY A 7 16.957 -8.294 -6.776 1.00 0.00 C ATOM 102 C GLY A 7 15.948 -8.808 -5.768 1.00 0.00 C ATOM 103 O GLY A 7 16.313 -9.208 -4.662 1.00 0.00 O ATOM 0 H GLY A 7 16.315 -8.933 -8.666 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.783 -9.001 -6.851 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.375 -7.353 -6.419 1.00 0.00 H new ATOM 107 N LEU A 8 14.676 -8.797 -6.150 1.00 0.00 N ATOM 108 CA LEU A 8 13.609 -9.264 -5.271 1.00 0.00 C ATOM 109 C LEU A 8 13.866 -10.698 -4.818 1.00 0.00 C ATOM 110 O LEU A 8 13.398 -11.118 -3.759 1.00 0.00 O ATOM 111 CB LEU A 8 12.259 -9.175 -5.983 1.00 0.00 C ATOM 112 CG LEU A 8 11.950 -10.295 -6.977 1.00 0.00 C ATOM 113 CD1 LEU A 8 10.991 -11.304 -6.364 1.00 0.00 C ATOM 114 CD2 LEU A 8 11.373 -9.722 -8.264 1.00 0.00 C ATOM 0 H LEU A 8 14.358 -8.470 -7.062 1.00 0.00 H new ATOM 0 HA LEU A 8 13.590 -8.622 -4.390 1.00 0.00 H new ATOM 0 HB2 LEU A 8 11.473 -9.159 -5.228 1.00 0.00 H new ATOM 0 HB3 LEU A 8 12.212 -8.223 -6.512 1.00 0.00 H new ATOM 0 HG LEU A 8 12.881 -10.809 -7.217 1.00 0.00 H new ATOM 0 HD11 LEU A 8 10.783 -12.093 -7.086 1.00 0.00 H new ATOM 0 HD12 LEU A 8 11.441 -11.738 -5.471 1.00 0.00 H new ATOM 0 HD13 LEU A 8 10.061 -10.804 -6.094 1.00 0.00 H new ATOM 0 HD21 LEU A 8 11.159 -10.533 -8.960 1.00 0.00 H new ATOM 0 HD22 LEU A 8 10.452 -9.183 -8.041 1.00 0.00 H new ATOM 0 HD23 LEU A 8 12.094 -9.039 -8.714 1.00 0.00 H new ATOM 126 N CYS A 9 14.612 -11.443 -5.626 1.00 0.00 N ATOM 127 CA CYS A 9 14.932 -12.830 -5.308 1.00 0.00 C ATOM 128 C CYS A 9 16.140 -13.306 -6.109 1.00 0.00 C ATOM 129 O CYS A 9 16.506 -12.727 -7.131 1.00 0.00 O ATOM 130 CB CYS A 9 13.729 -13.731 -5.593 1.00 0.00 C ATOM 131 SG CYS A 9 12.793 -14.200 -4.118 1.00 0.00 S ATOM 0 H CYS A 9 15.006 -11.110 -6.506 1.00 0.00 H new ATOM 0 HA CYS A 9 15.176 -12.887 -4.247 1.00 0.00 H new ATOM 0 HB2 CYS A 9 13.062 -13.219 -6.287 1.00 0.00 H new ATOM 0 HB3 CYS A 9 14.076 -14.635 -6.093 1.00 0.00 H new ATOM 0 HG CYS A 9 12.643 -13.161 -3.351 1.00 0.00 H new ATOM 137 N PRO A 10 16.776 -14.387 -5.633 1.00 0.00 N ATOM 138 CA PRO A 10 17.953 -14.965 -6.288 1.00 0.00 C ATOM 139 C PRO A 10 17.609 -15.631 -7.616 1.00 0.00 C ATOM 140 O PRO A 10 18.297 -15.434 -8.617 1.00 0.00 O ATOM 141 CB PRO A 10 18.445 -16.006 -5.280 1.00 0.00 C ATOM 142 CG PRO A 10 17.235 -16.374 -4.494 1.00 0.00 C ATOM 143 CD PRO A 10 16.395 -15.129 -4.419 1.00 0.00 C ATOM 0 HA PRO A 10 18.696 -14.206 -6.534 1.00 0.00 H new ATOM 0 HB2 PRO A 10 18.869 -16.875 -5.783 1.00 0.00 H new ATOM 0 HB3 PRO A 10 19.225 -15.597 -4.638 1.00 0.00 H new ATOM 0 HG2 PRO A 10 16.689 -17.185 -4.976 1.00 0.00 H new ATOM 0 HG3 PRO A 10 17.508 -16.721 -3.497 1.00 0.00 H new ATOM 0 HD2 PRO A 10 15.330 -15.363 -4.408 1.00 0.00 H new ATOM 0 HD3 PRO A 10 16.605 -14.556 -3.516 1.00 0.00 H new ATOM 151 N GLY A 11 16.539 -16.420 -7.618 1.00 0.00 N ATOM 152 CA GLY A 11 16.122 -17.102 -8.829 1.00 0.00 C ATOM 153 C GLY A 11 15.705 -16.139 -9.923 1.00 0.00 C ATOM 154 O GLY A 11 16.133 -16.268 -11.071 1.00 0.00 O ATOM 0 H GLY A 11 15.953 -16.599 -6.802 1.00 0.00 H new ATOM 0 HA2 GLY A 11 16.939 -17.726 -9.191 1.00 0.00 H new ATOM 0 HA3 GLY A 11 15.290 -17.768 -8.599 1.00 0.00 H new ATOM 158 N LEU A 12 14.866 -15.172 -9.569 1.00 0.00 N ATOM 159 CA LEU A 12 14.389 -14.184 -10.530 1.00 0.00 C ATOM 160 C LEU A 12 15.526 -13.277 -10.988 1.00 0.00 C ATOM 161 O LEU A 12 16.304 -12.777 -10.175 1.00 0.00 O ATOM 162 CB LEU A 12 13.268 -13.344 -9.914 1.00 0.00 C ATOM 163 CG LEU A 12 11.855 -13.914 -10.041 1.00 0.00 C ATOM 164 CD1 LEU A 12 10.878 -13.115 -9.192 1.00 0.00 C ATOM 165 CD2 LEU A 12 11.413 -13.924 -11.498 1.00 0.00 C ATOM 0 H LEU A 12 14.502 -15.051 -8.624 1.00 0.00 H new ATOM 0 HA LEU A 12 14.001 -14.716 -11.398 1.00 0.00 H new ATOM 0 HB2 LEU A 12 13.487 -13.202 -8.856 1.00 0.00 H new ATOM 0 HB3 LEU A 12 13.283 -12.358 -10.378 1.00 0.00 H new ATOM 0 HG LEU A 12 11.865 -14.941 -9.677 1.00 0.00 H new ATOM 0 HD11 LEU A 12 9.878 -13.536 -9.295 1.00 0.00 H new ATOM 0 HD12 LEU A 12 11.184 -13.159 -8.147 1.00 0.00 H new ATOM 0 HD13 LEU A 12 10.871 -12.077 -9.525 1.00 0.00 H new ATOM 0 HD21 LEU A 12 10.405 -14.333 -11.570 1.00 0.00 H new ATOM 0 HD22 LEU A 12 11.420 -12.906 -11.887 1.00 0.00 H new ATOM 0 HD23 LEU A 12 12.097 -14.540 -12.081 1.00 0.00 H new ATOM 177 N THR A 13 15.616 -13.065 -12.298 1.00 0.00 N ATOM 178 CA THR A 13 16.657 -12.217 -12.865 1.00 0.00 C ATOM 179 C THR A 13 16.060 -10.979 -13.523 1.00 0.00 C ATOM 180 O THR A 13 14.848 -10.892 -13.717 1.00 0.00 O ATOM 181 CB THR A 13 17.499 -12.981 -13.904 1.00 0.00 C ATOM 182 OG1 THR A 13 18.587 -12.163 -14.349 1.00 0.00 O ATOM 183 CG2 THR A 13 16.647 -13.392 -15.095 1.00 0.00 C ATOM 0 H THR A 13 14.980 -13.469 -12.986 1.00 0.00 H new ATOM 0 HA THR A 13 17.300 -11.912 -12.040 1.00 0.00 H new ATOM 0 HB THR A 13 17.891 -13.881 -13.431 1.00 0.00 H new ATOM 0 HG1 THR A 13 19.119 -12.656 -15.008 1.00 0.00 H new ATOM 0 HG21 THR A 13 17.264 -13.930 -15.815 1.00 0.00 H new ATOM 0 HG22 THR A 13 15.837 -14.038 -14.757 1.00 0.00 H new ATOM 0 HG23 THR A 13 16.229 -12.503 -15.568 1.00 0.00 H new ATOM 191 N GLU A 14 16.918 -10.023 -13.865 1.00 0.00 N ATOM 192 CA GLU A 14 16.473 -8.789 -14.501 1.00 0.00 C ATOM 193 C GLU A 14 15.747 -9.084 -15.811 1.00 0.00 C ATOM 194 O GLU A 14 14.851 -8.344 -16.215 1.00 0.00 O ATOM 195 CB GLU A 14 17.665 -7.866 -14.763 1.00 0.00 C ATOM 196 CG GLU A 14 18.584 -7.704 -13.564 1.00 0.00 C ATOM 197 CD GLU A 14 19.874 -8.489 -13.708 1.00 0.00 C ATOM 198 OE1 GLU A 14 20.456 -8.477 -14.812 1.00 0.00 O ATOM 199 OE2 GLU A 14 20.300 -9.114 -12.714 1.00 0.00 O ATOM 0 H GLU A 14 17.925 -10.080 -13.712 1.00 0.00 H new ATOM 0 HA GLU A 14 15.779 -8.291 -13.824 1.00 0.00 H new ATOM 0 HB2 GLU A 14 18.241 -8.259 -15.601 1.00 0.00 H new ATOM 0 HB3 GLU A 14 17.295 -6.885 -15.062 1.00 0.00 H new ATOM 0 HG2 GLU A 14 18.819 -6.648 -13.431 1.00 0.00 H new ATOM 0 HG3 GLU A 14 18.063 -8.031 -12.664 1.00 0.00 H new ATOM 206 N GLU A 15 16.142 -10.170 -16.468 1.00 0.00 N ATOM 207 CA GLU A 15 15.530 -10.561 -17.733 1.00 0.00 C ATOM 208 C GLU A 15 14.101 -11.053 -17.516 1.00 0.00 C ATOM 209 O GLU A 15 13.211 -10.779 -18.320 1.00 0.00 O ATOM 210 CB GLU A 15 16.360 -11.653 -18.410 1.00 0.00 C ATOM 211 CG GLU A 15 17.016 -11.204 -19.705 1.00 0.00 C ATOM 212 CD GLU A 15 16.015 -11.003 -20.827 1.00 0.00 C ATOM 213 OE1 GLU A 15 14.801 -10.950 -20.538 1.00 0.00 O ATOM 214 OE2 GLU A 15 16.447 -10.899 -21.994 1.00 0.00 O ATOM 0 H GLU A 15 16.882 -10.794 -16.146 1.00 0.00 H new ATOM 0 HA GLU A 15 15.500 -9.684 -18.380 1.00 0.00 H new ATOM 0 HB2 GLU A 15 17.133 -11.991 -17.719 1.00 0.00 H new ATOM 0 HB3 GLU A 15 15.719 -12.510 -18.615 1.00 0.00 H new ATOM 0 HG2 GLU A 15 17.554 -10.272 -19.531 1.00 0.00 H new ATOM 0 HG3 GLU A 15 17.754 -11.946 -20.010 1.00 0.00 H new ATOM 221 N MET A 16 13.892 -11.782 -16.425 1.00 0.00 N ATOM 222 CA MET A 16 12.573 -12.313 -16.102 1.00 0.00 C ATOM 223 C MET A 16 11.575 -11.183 -15.869 1.00 0.00 C ATOM 224 O MET A 16 10.384 -11.327 -16.146 1.00 0.00 O ATOM 225 CB MET A 16 12.648 -13.206 -14.862 1.00 0.00 C ATOM 226 CG MET A 16 12.363 -14.671 -15.151 1.00 0.00 C ATOM 227 SD MET A 16 10.600 -15.019 -15.301 1.00 0.00 S ATOM 228 CE MET A 16 10.429 -16.397 -14.169 1.00 0.00 C ATOM 0 H MET A 16 14.619 -12.019 -15.750 1.00 0.00 H new ATOM 0 HA MET A 16 12.231 -12.908 -16.949 1.00 0.00 H new ATOM 0 HB2 MET A 16 13.640 -13.118 -14.420 1.00 0.00 H new ATOM 0 HB3 MET A 16 11.935 -12.845 -14.120 1.00 0.00 H new ATOM 0 HG2 MET A 16 12.866 -14.960 -16.074 1.00 0.00 H new ATOM 0 HG3 MET A 16 12.784 -15.283 -14.353 1.00 0.00 H new ATOM 0 HE1 MET A 16 9.372 -16.578 -13.973 1.00 0.00 H new ATOM 0 HE2 MET A 16 10.874 -17.288 -14.611 1.00 0.00 H new ATOM 0 HE3 MET A 16 10.937 -16.164 -13.233 1.00 0.00 H new ATOM 238 N ILE A 17 12.068 -10.059 -15.359 1.00 0.00 N ATOM 239 CA ILE A 17 11.219 -8.905 -15.090 1.00 0.00 C ATOM 240 C ILE A 17 10.575 -8.386 -16.371 1.00 0.00 C ATOM 241 O ILE A 17 9.416 -7.973 -16.370 1.00 0.00 O ATOM 242 CB ILE A 17 12.014 -7.764 -14.429 1.00 0.00 C ATOM 243 CG1 ILE A 17 12.826 -8.296 -13.246 1.00 0.00 C ATOM 244 CG2 ILE A 17 11.074 -6.656 -13.978 1.00 0.00 C ATOM 245 CD1 ILE A 17 11.989 -9.025 -12.218 1.00 0.00 C ATOM 0 H ILE A 17 13.051 -9.923 -15.124 1.00 0.00 H new ATOM 0 HA ILE A 17 10.440 -9.239 -14.404 1.00 0.00 H new ATOM 0 HB ILE A 17 12.706 -7.351 -15.163 1.00 0.00 H new ATOM 0 HG12 ILE A 17 13.597 -8.970 -13.619 1.00 0.00 H new ATOM 0 HG13 ILE A 17 13.337 -7.463 -12.763 1.00 0.00 H new ATOM 0 HG21 ILE A 17 11.651 -5.857 -13.513 1.00 0.00 H new ATOM 0 HG22 ILE A 17 10.537 -6.261 -14.840 1.00 0.00 H new ATOM 0 HG23 ILE A 17 10.360 -7.055 -13.257 1.00 0.00 H new ATOM 0 HD11 ILE A 17 12.630 -9.374 -11.408 1.00 0.00 H new ATOM 0 HD12 ILE A 17 11.234 -8.348 -11.817 1.00 0.00 H new ATOM 0 HD13 ILE A 17 11.499 -9.878 -12.687 1.00 0.00 H new ATOM 257 N GLN A 18 11.335 -8.413 -17.461 1.00 0.00 N ATOM 258 CA GLN A 18 10.837 -7.946 -18.750 1.00 0.00 C ATOM 259 C GLN A 18 9.689 -8.822 -19.240 1.00 0.00 C ATOM 260 O GLN A 18 8.727 -8.330 -19.832 1.00 0.00 O ATOM 261 CB GLN A 18 11.964 -7.937 -19.783 1.00 0.00 C ATOM 262 CG GLN A 18 11.484 -7.701 -21.206 1.00 0.00 C ATOM 263 CD GLN A 18 10.822 -6.348 -21.381 1.00 0.00 C ATOM 264 OE1 GLN A 18 10.822 -5.522 -20.469 1.00 0.00 O ATOM 265 NE2 GLN A 18 10.253 -6.115 -22.558 1.00 0.00 N ATOM 0 H GLN A 18 12.297 -8.753 -17.478 1.00 0.00 H new ATOM 0 HA GLN A 18 10.465 -6.930 -18.620 1.00 0.00 H new ATOM 0 HB2 GLN A 18 12.683 -7.161 -19.518 1.00 0.00 H new ATOM 0 HB3 GLN A 18 12.492 -8.889 -19.740 1.00 0.00 H new ATOM 0 HG2 GLN A 18 12.330 -7.778 -21.889 1.00 0.00 H new ATOM 0 HG3 GLN A 18 10.779 -8.485 -21.482 1.00 0.00 H new ATOM 0 HE21 GLN A 18 10.277 -6.829 -23.286 1.00 0.00 H new ATOM 0 HE22 GLN A 18 9.792 -5.222 -22.734 1.00 0.00 H new ATOM 274 N LEU A 19 9.795 -10.122 -18.990 1.00 0.00 N ATOM 275 CA LEU A 19 8.765 -11.068 -19.406 1.00 0.00 C ATOM 276 C LEU A 19 7.426 -10.737 -18.754 1.00 0.00 C ATOM 277 O LEU A 19 6.370 -10.895 -19.367 1.00 0.00 O ATOM 278 CB LEU A 19 9.181 -12.496 -19.046 1.00 0.00 C ATOM 279 CG LEU A 19 10.074 -13.211 -20.060 1.00 0.00 C ATOM 280 CD1 LEU A 19 10.655 -14.481 -19.459 1.00 0.00 C ATOM 281 CD2 LEU A 19 9.294 -13.527 -21.328 1.00 0.00 C ATOM 0 H LEU A 19 10.584 -10.546 -18.501 1.00 0.00 H new ATOM 0 HA LEU A 19 8.651 -10.991 -20.487 1.00 0.00 H new ATOM 0 HB2 LEU A 19 9.701 -12.471 -18.088 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.279 -13.091 -18.904 1.00 0.00 H new ATOM 0 HG LEU A 19 10.899 -12.547 -20.320 1.00 0.00 H new ATOM 0 HD11 LEU A 19 11.288 -14.976 -20.196 1.00 0.00 H new ATOM 0 HD12 LEU A 19 11.250 -14.229 -18.581 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.845 -15.150 -19.169 1.00 0.00 H new ATOM 0 HD21 LEU A 19 9.945 -14.036 -22.039 1.00 0.00 H new ATOM 0 HD22 LEU A 19 8.449 -14.171 -21.084 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.928 -12.601 -21.770 1.00 0.00 H new ATOM 293 N LEU A 20 7.478 -10.275 -17.510 1.00 0.00 N ATOM 294 CA LEU A 20 6.269 -9.919 -16.775 1.00 0.00 C ATOM 295 C LEU A 20 5.521 -8.789 -17.474 1.00 0.00 C ATOM 296 O LEU A 20 4.297 -8.829 -17.605 1.00 0.00 O ATOM 297 CB LEU A 20 6.621 -9.505 -15.345 1.00 0.00 C ATOM 298 CG LEU A 20 7.649 -10.379 -14.627 1.00 0.00 C ATOM 299 CD1 LEU A 20 7.836 -9.914 -13.191 1.00 0.00 C ATOM 300 CD2 LEU A 20 7.226 -11.840 -14.665 1.00 0.00 C ATOM 0 H LEU A 20 8.344 -10.138 -16.989 1.00 0.00 H new ATOM 0 HA LEU A 20 5.621 -10.795 -16.744 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.995 -8.482 -15.366 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.705 -9.497 -14.754 1.00 0.00 H new ATOM 0 HG LEU A 20 8.603 -10.284 -15.145 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.571 -10.548 -12.696 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.185 -8.881 -13.185 1.00 0.00 H new ATOM 0 HD13 LEU A 20 6.886 -9.979 -12.661 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.970 -12.448 -14.149 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.260 -11.952 -14.172 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.145 -12.168 -15.701 1.00 0.00 H new ATOM 312 N ARG A 21 6.264 -7.783 -17.924 1.00 0.00 N ATOM 313 CA ARG A 21 5.671 -6.642 -18.611 1.00 0.00 C ATOM 314 C ARG A 21 5.177 -7.040 -19.999 1.00 0.00 C ATOM 315 O ARG A 21 4.232 -6.452 -20.525 1.00 0.00 O ATOM 316 CB ARG A 21 6.687 -5.504 -18.727 1.00 0.00 C ATOM 317 CG ARG A 21 6.052 -4.143 -18.961 1.00 0.00 C ATOM 318 CD ARG A 21 7.027 -3.015 -18.660 1.00 0.00 C ATOM 319 NE ARG A 21 6.344 -1.813 -18.190 1.00 0.00 N ATOM 320 CZ ARG A 21 6.953 -0.827 -17.541 1.00 0.00 C ATOM 321 NH1 ARG A 21 8.252 -0.901 -17.286 1.00 0.00 N ATOM 322 NH2 ARG A 21 6.264 0.235 -17.146 1.00 0.00 N ATOM 0 H ARG A 21 7.278 -7.735 -17.825 1.00 0.00 H new ATOM 0 HA ARG A 21 4.818 -6.300 -18.024 1.00 0.00 H new ATOM 0 HB2 ARG A 21 7.283 -5.466 -17.815 1.00 0.00 H new ATOM 0 HB3 ARG A 21 7.372 -5.722 -19.546 1.00 0.00 H new ATOM 0 HG2 ARG A 21 5.717 -4.070 -19.996 1.00 0.00 H new ATOM 0 HG3 ARG A 21 5.168 -4.039 -18.332 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.741 -3.345 -17.905 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.598 -2.780 -19.558 1.00 0.00 H new ATOM 0 HE ARG A 21 5.344 -1.726 -18.370 1.00 0.00 H new ATOM 0 HH11 ARG A 21 8.785 -1.716 -17.588 1.00 0.00 H new ATOM 0 HH12 ARG A 21 8.718 -0.143 -16.788 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.265 0.296 -17.340 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.734 0.991 -16.648 1.00 0.00 H new ATOM 336 N SER A 22 5.823 -8.042 -20.587 1.00 0.00 N ATOM 337 CA SER A 22 5.453 -8.516 -21.915 1.00 0.00 C ATOM 338 C SER A 22 4.034 -9.075 -21.917 1.00 0.00 C ATOM 339 O SER A 22 3.345 -9.048 -22.937 1.00 0.00 O ATOM 340 CB SER A 22 6.436 -9.588 -22.389 1.00 0.00 C ATOM 341 OG SER A 22 7.771 -9.232 -22.075 1.00 0.00 O ATOM 0 H SER A 22 6.606 -8.541 -20.164 1.00 0.00 H new ATOM 0 HA SER A 22 5.492 -7.669 -22.600 1.00 0.00 H new ATOM 0 HB2 SER A 22 6.191 -10.542 -21.922 1.00 0.00 H new ATOM 0 HB3 SER A 22 6.337 -9.726 -23.466 1.00 0.00 H new ATOM 0 HG SER A 22 7.881 -9.202 -21.102 1.00 0.00 H new ATOM 347 N HIS A 23 3.602 -9.581 -20.766 1.00 0.00 N ATOM 348 CA HIS A 23 2.264 -10.146 -20.633 1.00 0.00 C ATOM 349 C HIS A 23 1.303 -9.129 -20.025 1.00 0.00 C ATOM 350 O HIS A 23 0.199 -9.477 -19.605 1.00 0.00 O ATOM 351 CB HIS A 23 2.304 -11.407 -19.769 1.00 0.00 C ATOM 352 CG HIS A 23 2.560 -12.659 -20.548 1.00 0.00 C ATOM 353 ND1 HIS A 23 3.445 -13.634 -20.138 1.00 0.00 N ATOM 354 CD2 HIS A 23 2.039 -13.095 -21.719 1.00 0.00 C ATOM 355 CE1 HIS A 23 3.459 -14.614 -21.024 1.00 0.00 C ATOM 356 NE2 HIS A 23 2.615 -14.312 -21.993 1.00 0.00 N ATOM 0 H HIS A 23 4.159 -9.611 -19.912 1.00 0.00 H new ATOM 0 HA HIS A 23 1.906 -10.408 -21.629 1.00 0.00 H new ATOM 0 HB2 HIS A 23 3.081 -11.295 -19.012 1.00 0.00 H new ATOM 0 HB3 HIS A 23 1.356 -11.505 -19.240 1.00 0.00 H new ATOM 0 HD2 HIS A 23 1.307 -12.582 -22.325 1.00 0.00 H new ATOM 0 HE1 HIS A 23 4.059 -15.510 -20.965 1.00 0.00 H new ATOM 0 HE2 HIS A 23 2.422 -14.888 -22.812 1.00 0.00 H new ATOM 364 N ARG A 24 1.730 -7.871 -19.982 1.00 0.00 N ATOM 365 CA ARG A 24 0.907 -6.804 -19.424 1.00 0.00 C ATOM 366 C ARG A 24 0.477 -7.138 -17.999 1.00 0.00 C ATOM 367 O ARG A 24 -0.558 -6.666 -17.526 1.00 0.00 O ATOM 368 CB ARG A 24 -0.326 -6.571 -20.299 1.00 0.00 C ATOM 369 CG ARG A 24 -0.006 -6.436 -21.779 1.00 0.00 C ATOM 370 CD ARG A 24 -0.612 -7.573 -22.586 1.00 0.00 C ATOM 371 NE ARG A 24 -2.068 -7.604 -22.479 1.00 0.00 N ATOM 372 CZ ARG A 24 -2.830 -8.516 -23.074 1.00 0.00 C ATOM 373 NH1 ARG A 24 -2.275 -9.467 -23.813 1.00 0.00 N ATOM 374 NH2 ARG A 24 -4.148 -8.478 -22.929 1.00 0.00 N ATOM 0 H ARG A 24 2.640 -7.566 -20.327 1.00 0.00 H new ATOM 0 HA ARG A 24 1.505 -5.893 -19.401 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -1.021 -7.399 -20.160 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -0.835 -5.668 -19.962 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.385 -5.483 -22.149 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.075 -6.425 -21.919 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.328 -7.466 -23.633 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -0.203 -8.522 -22.239 1.00 0.00 H new ATOM 0 HE ARG A 24 -2.525 -6.886 -21.917 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.262 -9.499 -23.925 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.861 -10.166 -24.269 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.578 -7.748 -22.360 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -4.732 -9.178 -23.386 1.00 0.00 H new ATOM 388 N ILE A 25 1.277 -7.953 -17.320 1.00 0.00 N ATOM 389 CA ILE A 25 0.979 -8.349 -15.950 1.00 0.00 C ATOM 390 C ILE A 25 1.025 -7.150 -15.009 1.00 0.00 C ATOM 391 O ILE A 25 1.784 -6.206 -15.225 1.00 0.00 O ATOM 392 CB ILE A 25 1.964 -9.421 -15.446 1.00 0.00 C ATOM 393 CG1 ILE A 25 1.939 -10.642 -16.368 1.00 0.00 C ATOM 394 CG2 ILE A 25 1.627 -9.821 -14.018 1.00 0.00 C ATOM 395 CD1 ILE A 25 2.764 -11.802 -15.858 1.00 0.00 C ATOM 0 H ILE A 25 2.137 -8.352 -17.697 1.00 0.00 H new ATOM 0 HA ILE A 25 -0.028 -8.766 -15.954 1.00 0.00 H new ATOM 0 HB ILE A 25 2.970 -9.002 -15.457 1.00 0.00 H new ATOM 0 HG12 ILE A 25 0.907 -10.969 -16.496 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.306 -10.351 -17.352 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.332 -10.579 -13.676 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.692 -8.947 -13.370 1.00 0.00 H new ATOM 0 HG23 ILE A 25 0.615 -10.224 -13.982 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.700 -12.632 -16.562 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.804 -11.492 -15.757 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.384 -12.120 -14.887 1.00 0.00 H new ATOM 407 N LYS A 26 0.209 -7.196 -13.961 1.00 0.00 N ATOM 408 CA LYS A 26 0.157 -6.115 -12.984 1.00 0.00 C ATOM 409 C LYS A 26 1.201 -6.321 -11.890 1.00 0.00 C ATOM 410 O LYS A 26 2.046 -7.211 -11.983 1.00 0.00 O ATOM 411 CB LYS A 26 -1.238 -6.029 -12.362 1.00 0.00 C ATOM 412 CG LYS A 26 -1.963 -4.730 -12.670 1.00 0.00 C ATOM 413 CD LYS A 26 -1.893 -3.761 -11.502 1.00 0.00 C ATOM 414 CE LYS A 26 -2.825 -2.577 -11.703 1.00 0.00 C ATOM 415 NZ LYS A 26 -2.573 -1.886 -12.998 1.00 0.00 N ATOM 0 H LYS A 26 -0.425 -7.971 -13.767 1.00 0.00 H new ATOM 0 HA LYS A 26 0.376 -5.180 -13.501 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.839 -6.865 -12.721 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.152 -6.140 -11.281 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.523 -4.268 -13.554 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.006 -4.942 -12.906 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.157 -4.280 -10.581 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.870 -3.404 -11.385 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -3.859 -2.919 -11.669 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -2.696 -1.870 -10.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -3.105 -0.993 -13.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -1.557 -1.687 -13.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -2.881 -2.495 -13.782 1.00 0.00 H new ATOM 429 N THR A 27 1.135 -5.492 -10.853 1.00 0.00 N ATOM 430 CA THR A 27 2.074 -5.583 -9.741 1.00 0.00 C ATOM 431 C THR A 27 1.813 -6.828 -8.902 1.00 0.00 C ATOM 432 O THR A 27 0.935 -7.631 -9.219 1.00 0.00 O ATOM 433 CB THR A 27 1.993 -4.340 -8.835 1.00 0.00 C ATOM 434 OG1 THR A 27 0.633 -4.093 -8.462 1.00 0.00 O ATOM 435 CG2 THR A 27 2.561 -3.118 -9.541 1.00 0.00 C ATOM 0 H THR A 27 0.441 -4.750 -10.760 1.00 0.00 H new ATOM 0 HA THR A 27 3.073 -5.643 -10.174 1.00 0.00 H new ATOM 0 HB THR A 27 2.585 -4.531 -7.940 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.566 -4.040 -7.486 1.00 0.00 H new ATOM 0 HG21 THR A 27 2.493 -2.253 -8.882 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.605 -3.298 -9.797 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.992 -2.926 -10.451 1.00 0.00 H new ATOM 443 N VAL A 28 2.581 -6.984 -7.828 1.00 0.00 N ATOM 444 CA VAL A 28 2.432 -8.131 -6.941 1.00 0.00 C ATOM 445 C VAL A 28 0.967 -8.367 -6.590 1.00 0.00 C ATOM 446 O VAL A 28 0.552 -9.498 -6.337 1.00 0.00 O ATOM 447 CB VAL A 28 3.237 -7.944 -5.641 1.00 0.00 C ATOM 448 CG1 VAL A 28 4.729 -7.934 -5.934 1.00 0.00 C ATOM 449 CG2 VAL A 28 2.815 -6.666 -4.933 1.00 0.00 C ATOM 0 H VAL A 28 3.313 -6.330 -7.551 1.00 0.00 H new ATOM 0 HA VAL A 28 2.819 -8.998 -7.477 1.00 0.00 H new ATOM 0 HB VAL A 28 3.027 -8.785 -4.979 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.282 -7.801 -5.004 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.016 -8.880 -6.394 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.961 -7.114 -6.614 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.394 -6.550 -4.017 1.00 0.00 H new ATOM 0 HG22 VAL A 28 2.994 -5.812 -5.586 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.754 -6.719 -4.688 1.00 0.00 H new ATOM 459 N VAL A 29 0.187 -7.291 -6.575 1.00 0.00 N ATOM 460 CA VAL A 29 -1.233 -7.380 -6.256 1.00 0.00 C ATOM 461 C VAL A 29 -1.940 -8.375 -7.170 1.00 0.00 C ATOM 462 O VAL A 29 -2.762 -9.173 -6.719 1.00 0.00 O ATOM 463 CB VAL A 29 -1.923 -6.009 -6.377 1.00 0.00 C ATOM 464 CG1 VAL A 29 -1.354 -5.033 -5.359 1.00 0.00 C ATOM 465 CG2 VAL A 29 -1.779 -5.463 -7.790 1.00 0.00 C ATOM 0 H VAL A 29 0.515 -6.347 -6.780 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.304 -7.724 -5.224 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.985 -6.137 -6.168 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.854 -4.070 -5.460 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.514 -5.422 -4.353 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.285 -4.907 -5.533 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.273 -4.493 -7.857 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.722 -5.350 -8.030 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.239 -6.154 -8.496 1.00 0.00 H new ATOM 475 N ASP A 30 -1.614 -8.323 -8.457 1.00 0.00 N ATOM 476 CA ASP A 30 -2.217 -9.220 -9.435 1.00 0.00 C ATOM 477 C ASP A 30 -1.684 -10.640 -9.271 1.00 0.00 C ATOM 478 O ASP A 30 -2.405 -11.615 -9.489 1.00 0.00 O ATOM 479 CB ASP A 30 -1.942 -8.721 -10.855 1.00 0.00 C ATOM 480 CG ASP A 30 -2.298 -9.750 -11.910 1.00 0.00 C ATOM 481 OD1 ASP A 30 -3.479 -10.151 -11.973 1.00 0.00 O ATOM 482 OD2 ASP A 30 -1.396 -10.153 -12.672 1.00 0.00 O ATOM 0 H ASP A 30 -0.935 -7.669 -8.847 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.293 -9.232 -9.264 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.513 -7.810 -11.034 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.888 -8.460 -10.947 1.00 0.00 H new ATOM 487 N LEU A 31 -0.418 -10.751 -8.885 1.00 0.00 N ATOM 488 CA LEU A 31 0.213 -12.052 -8.692 1.00 0.00 C ATOM 489 C LEU A 31 -0.612 -12.922 -7.749 1.00 0.00 C ATOM 490 O LEU A 31 -0.696 -14.138 -7.923 1.00 0.00 O ATOM 491 CB LEU A 31 1.628 -11.878 -8.137 1.00 0.00 C ATOM 492 CG LEU A 31 2.536 -13.105 -8.217 1.00 0.00 C ATOM 493 CD1 LEU A 31 3.998 -12.694 -8.136 1.00 0.00 C ATOM 494 CD2 LEU A 31 2.196 -14.094 -7.112 1.00 0.00 C ATOM 0 H LEU A 31 0.192 -9.955 -8.699 1.00 0.00 H new ATOM 0 HA LEU A 31 0.268 -12.549 -9.661 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.109 -11.060 -8.673 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.552 -11.574 -7.093 1.00 0.00 H new ATOM 0 HG LEU A 31 2.370 -13.593 -9.177 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.629 -13.581 -8.195 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.234 -12.025 -8.964 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.180 -12.181 -7.192 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.853 -14.961 -7.185 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.332 -13.616 -6.142 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.159 -14.414 -7.217 1.00 0.00 H new ATOM 506 N VAL A 32 -1.222 -12.290 -6.750 1.00 0.00 N ATOM 507 CA VAL A 32 -2.043 -13.006 -5.781 1.00 0.00 C ATOM 508 C VAL A 32 -3.116 -13.836 -6.477 1.00 0.00 C ATOM 509 O VAL A 32 -3.578 -14.845 -5.943 1.00 0.00 O ATOM 510 CB VAL A 32 -2.720 -12.036 -4.794 1.00 0.00 C ATOM 511 CG1 VAL A 32 -3.958 -11.414 -5.421 1.00 0.00 C ATOM 512 CG2 VAL A 32 -3.070 -12.754 -3.499 1.00 0.00 C ATOM 0 H VAL A 32 -1.163 -11.284 -6.591 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.376 -13.668 -5.229 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.020 -11.234 -4.560 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.423 -10.732 -4.709 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.674 -10.864 -6.318 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.666 -12.200 -5.686 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.547 -12.055 -2.813 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.753 -13.577 -3.712 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.161 -13.146 -3.043 1.00 0.00 H new ATOM 522 N SER A 33 -3.508 -13.406 -7.672 1.00 0.00 N ATOM 523 CA SER A 33 -4.529 -14.108 -8.440 1.00 0.00 C ATOM 524 C SER A 33 -3.898 -14.928 -9.561 1.00 0.00 C ATOM 525 O SER A 33 -4.466 -15.921 -10.014 1.00 0.00 O ATOM 526 CB SER A 33 -5.532 -13.111 -9.025 1.00 0.00 C ATOM 527 OG SER A 33 -6.642 -12.938 -8.160 1.00 0.00 O ATOM 0 H SER A 33 -3.134 -12.575 -8.129 1.00 0.00 H new ATOM 0 HA SER A 33 -5.052 -14.787 -7.767 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.042 -12.151 -9.190 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.876 -13.464 -9.997 1.00 0.00 H new ATOM 0 HG SER A 33 -7.268 -12.295 -8.555 1.00 0.00 H new ATOM 533 N ALA A 34 -2.719 -14.504 -10.004 1.00 0.00 N ATOM 534 CA ALA A 34 -2.008 -15.199 -11.070 1.00 0.00 C ATOM 535 C ALA A 34 -1.673 -16.630 -10.665 1.00 0.00 C ATOM 536 O ALA A 34 -1.866 -17.020 -9.513 1.00 0.00 O ATOM 537 CB ALA A 34 -0.741 -14.443 -11.440 1.00 0.00 C ATOM 0 H ALA A 34 -2.236 -13.682 -9.641 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.661 -15.240 -11.942 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.220 -14.974 -12.237 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.002 -13.441 -11.781 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.092 -14.372 -10.567 1.00 0.00 H new ATOM 543 N ASP A 35 -1.172 -17.408 -11.618 1.00 0.00 N ATOM 544 CA ASP A 35 -0.810 -18.797 -11.359 1.00 0.00 C ATOM 545 C ASP A 35 0.678 -18.922 -11.047 1.00 0.00 C ATOM 546 O ASP A 35 1.413 -19.623 -11.744 1.00 0.00 O ATOM 547 CB ASP A 35 -1.167 -19.672 -12.562 1.00 0.00 C ATOM 548 CG ASP A 35 -2.658 -19.703 -12.833 1.00 0.00 C ATOM 549 OD1 ASP A 35 -3.218 -18.647 -13.195 1.00 0.00 O ATOM 550 OD2 ASP A 35 -3.266 -20.784 -12.684 1.00 0.00 O ATOM 0 H ASP A 35 -1.007 -17.101 -12.577 1.00 0.00 H new ATOM 0 HA ASP A 35 -1.374 -19.138 -10.491 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.648 -19.300 -13.445 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -0.811 -20.687 -12.387 1.00 0.00 H new ATOM 555 N LEU A 36 1.116 -18.237 -9.997 1.00 0.00 N ATOM 556 CA LEU A 36 2.518 -18.269 -9.593 1.00 0.00 C ATOM 557 C LEU A 36 2.981 -19.702 -9.348 1.00 0.00 C ATOM 558 O LEU A 36 4.123 -20.054 -9.642 1.00 0.00 O ATOM 559 CB LEU A 36 2.724 -17.432 -8.330 1.00 0.00 C ATOM 560 CG LEU A 36 4.108 -16.804 -8.160 1.00 0.00 C ATOM 561 CD1 LEU A 36 5.172 -17.884 -8.031 1.00 0.00 C ATOM 562 CD2 LEU A 36 4.423 -15.880 -9.327 1.00 0.00 C ATOM 0 H LEU A 36 0.521 -17.653 -9.410 1.00 0.00 H new ATOM 0 HA LEU A 36 3.114 -17.847 -10.402 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.981 -16.634 -8.322 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.524 -18.063 -7.464 1.00 0.00 H new ATOM 0 HG LEU A 36 4.106 -16.212 -7.245 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.150 -17.418 -7.911 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.956 -18.505 -7.162 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.173 -18.503 -8.928 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.412 -15.443 -9.188 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.405 -16.449 -10.257 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.678 -15.086 -9.373 1.00 0.00 H new ATOM 574 N GLU A 37 2.085 -20.524 -8.811 1.00 0.00 N ATOM 575 CA GLU A 37 2.402 -21.919 -8.528 1.00 0.00 C ATOM 576 C GLU A 37 2.782 -22.660 -9.807 1.00 0.00 C ATOM 577 O GLU A 37 3.747 -23.423 -9.831 1.00 0.00 O ATOM 578 CB GLU A 37 1.213 -22.610 -7.859 1.00 0.00 C ATOM 579 CG GLU A 37 -0.080 -22.500 -8.650 1.00 0.00 C ATOM 580 CD GLU A 37 -1.277 -23.038 -7.890 1.00 0.00 C ATOM 581 OE1 GLU A 37 -1.255 -24.230 -7.518 1.00 0.00 O ATOM 582 OE2 GLU A 37 -2.234 -22.268 -7.667 1.00 0.00 O ATOM 0 H GLU A 37 1.135 -20.248 -8.563 1.00 0.00 H new ATOM 0 HA GLU A 37 3.254 -21.941 -7.849 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.451 -23.664 -7.713 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.062 -22.177 -6.870 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.257 -21.455 -8.906 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.025 -23.045 -9.588 1.00 0.00 H new ATOM 589 N GLU A 38 2.014 -22.430 -10.868 1.00 0.00 N ATOM 590 CA GLU A 38 2.268 -23.077 -12.149 1.00 0.00 C ATOM 591 C GLU A 38 3.471 -22.448 -12.847 1.00 0.00 C ATOM 592 O GLU A 38 4.366 -23.150 -13.319 1.00 0.00 O ATOM 593 CB GLU A 38 1.034 -22.980 -13.049 1.00 0.00 C ATOM 594 CG GLU A 38 1.086 -23.902 -14.255 1.00 0.00 C ATOM 595 CD GLU A 38 -0.185 -23.855 -15.081 1.00 0.00 C ATOM 596 OE1 GLU A 38 -1.226 -23.425 -14.543 1.00 0.00 O ATOM 597 OE2 GLU A 38 -0.138 -24.250 -16.265 1.00 0.00 O ATOM 0 H GLU A 38 1.211 -21.801 -10.865 1.00 0.00 H new ATOM 0 HA GLU A 38 2.488 -24.128 -11.959 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.147 -23.215 -12.461 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.926 -21.951 -13.393 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.933 -23.625 -14.883 1.00 0.00 H new ATOM 0 HG3 GLU A 38 1.259 -24.924 -13.919 1.00 0.00 H new ATOM 604 N VAL A 39 3.485 -21.121 -12.908 1.00 0.00 N ATOM 605 CA VAL A 39 4.577 -20.396 -13.547 1.00 0.00 C ATOM 606 C VAL A 39 5.915 -20.737 -12.901 1.00 0.00 C ATOM 607 O VAL A 39 6.921 -20.911 -13.588 1.00 0.00 O ATOM 608 CB VAL A 39 4.358 -18.873 -13.475 1.00 0.00 C ATOM 609 CG1 VAL A 39 5.511 -18.136 -14.137 1.00 0.00 C ATOM 610 CG2 VAL A 39 3.033 -18.495 -14.119 1.00 0.00 C ATOM 0 H VAL A 39 2.752 -20.525 -12.523 1.00 0.00 H new ATOM 0 HA VAL A 39 4.592 -20.704 -14.592 1.00 0.00 H new ATOM 0 HB VAL A 39 4.324 -18.577 -12.426 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.339 -17.061 -14.076 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.442 -18.384 -13.627 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.580 -18.434 -15.183 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.894 -17.416 -14.059 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.036 -18.803 -15.164 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.218 -18.995 -13.595 1.00 0.00 H new ATOM 620 N ALA A 40 5.918 -20.832 -11.576 1.00 0.00 N ATOM 621 CA ALA A 40 7.132 -21.156 -10.836 1.00 0.00 C ATOM 622 C ALA A 40 7.624 -22.559 -11.176 1.00 0.00 C ATOM 623 O ALA A 40 8.828 -22.805 -11.238 1.00 0.00 O ATOM 624 CB ALA A 40 6.889 -21.027 -9.340 1.00 0.00 C ATOM 0 H ALA A 40 5.094 -20.689 -10.992 1.00 0.00 H new ATOM 0 HA ALA A 40 7.907 -20.447 -11.129 1.00 0.00 H new ATOM 0 HB1 ALA A 40 7.804 -21.272 -8.800 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.593 -20.004 -9.106 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.096 -21.712 -9.040 1.00 0.00 H new ATOM 630 N GLN A 41 6.685 -23.474 -11.393 1.00 0.00 N ATOM 631 CA GLN A 41 7.025 -24.852 -11.724 1.00 0.00 C ATOM 632 C GLN A 41 7.688 -24.935 -13.095 1.00 0.00 C ATOM 633 O GLN A 41 8.753 -25.535 -13.246 1.00 0.00 O ATOM 634 CB GLN A 41 5.772 -25.729 -11.696 1.00 0.00 C ATOM 635 CG GLN A 41 5.415 -26.238 -10.309 1.00 0.00 C ATOM 636 CD GLN A 41 6.354 -27.326 -9.827 1.00 0.00 C ATOM 637 OE1 GLN A 41 6.930 -27.229 -8.742 1.00 0.00 O ATOM 638 NE2 GLN A 41 6.514 -28.370 -10.631 1.00 0.00 N ATOM 0 H GLN A 41 5.684 -23.286 -11.346 1.00 0.00 H new ATOM 0 HA GLN A 41 7.731 -25.215 -10.977 1.00 0.00 H new ATOM 0 HB2 GLN A 41 4.931 -25.159 -12.092 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.920 -26.581 -12.359 1.00 0.00 H new ATOM 0 HG2 GLN A 41 5.436 -25.407 -9.604 1.00 0.00 H new ATOM 0 HG3 GLN A 41 4.395 -26.622 -10.318 1.00 0.00 H new ATOM 0 HE21 GLN A 41 6.017 -28.409 -11.521 1.00 0.00 H new ATOM 0 HE22 GLN A 41 7.134 -29.133 -10.359 1.00 0.00 H new ATOM 647 N LYS A 42 7.052 -24.330 -14.092 1.00 0.00 N ATOM 648 CA LYS A 42 7.579 -24.334 -15.451 1.00 0.00 C ATOM 649 C LYS A 42 8.862 -23.513 -15.539 1.00 0.00 C ATOM 650 O LYS A 42 9.827 -23.919 -16.188 1.00 0.00 O ATOM 651 CB LYS A 42 6.538 -23.779 -16.426 1.00 0.00 C ATOM 652 CG LYS A 42 6.061 -22.380 -16.075 1.00 0.00 C ATOM 653 CD LYS A 42 4.938 -21.928 -16.993 1.00 0.00 C ATOM 654 CE LYS A 42 4.959 -20.421 -17.198 1.00 0.00 C ATOM 655 NZ LYS A 42 4.435 -20.036 -18.538 1.00 0.00 N ATOM 0 H LYS A 42 6.170 -23.830 -13.984 1.00 0.00 H new ATOM 0 HA LYS A 42 7.808 -25.365 -15.722 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.962 -23.768 -17.430 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.680 -24.451 -16.450 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.717 -22.360 -15.041 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.895 -21.681 -16.147 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.030 -22.429 -17.957 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.979 -22.226 -16.570 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.362 -19.941 -16.423 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.979 -20.054 -17.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.466 -19.001 -18.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.020 -20.474 -19.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.453 -20.364 -18.634 1.00 0.00 H new ATOM 669 N CYS A 43 8.866 -22.358 -14.882 1.00 0.00 N ATOM 670 CA CYS A 43 10.031 -21.481 -14.886 1.00 0.00 C ATOM 671 C CYS A 43 11.177 -22.094 -14.088 1.00 0.00 C ATOM 672 O CYS A 43 12.346 -21.814 -14.346 1.00 0.00 O ATOM 673 CB CYS A 43 9.666 -20.112 -14.309 1.00 0.00 C ATOM 674 SG CYS A 43 8.653 -19.094 -15.406 1.00 0.00 S ATOM 0 H CYS A 43 8.076 -22.008 -14.340 1.00 0.00 H new ATOM 0 HA CYS A 43 10.358 -21.357 -15.918 1.00 0.00 H new ATOM 0 HB2 CYS A 43 9.132 -20.256 -13.370 1.00 0.00 H new ATOM 0 HB3 CYS A 43 10.584 -19.572 -14.075 1.00 0.00 H new ATOM 0 HG CYS A 43 9.407 -18.222 -16.007 1.00 0.00 H new ATOM 680 N GLY A 44 10.831 -22.933 -13.116 1.00 0.00 N ATOM 681 CA GLY A 44 11.842 -23.572 -12.293 1.00 0.00 C ATOM 682 C GLY A 44 12.244 -22.722 -11.104 1.00 0.00 C ATOM 683 O GLY A 44 13.353 -22.853 -10.584 1.00 0.00 O ATOM 0 H GLY A 44 9.869 -23.182 -12.884 1.00 0.00 H new ATOM 0 HA2 GLY A 44 11.465 -24.531 -11.939 1.00 0.00 H new ATOM 0 HA3 GLY A 44 12.722 -23.781 -12.901 1.00 0.00 H new ATOM 687 N LEU A 45 11.342 -21.848 -10.672 1.00 0.00 N ATOM 688 CA LEU A 45 11.608 -20.971 -9.537 1.00 0.00 C ATOM 689 C LEU A 45 11.131 -21.607 -8.235 1.00 0.00 C ATOM 690 O LEU A 45 10.483 -22.653 -8.244 1.00 0.00 O ATOM 691 CB LEU A 45 10.923 -19.619 -9.739 1.00 0.00 C ATOM 692 CG LEU A 45 11.695 -18.593 -10.570 1.00 0.00 C ATOM 693 CD1 LEU A 45 12.975 -18.184 -9.858 1.00 0.00 C ATOM 694 CD2 LEU A 45 12.005 -19.150 -11.951 1.00 0.00 C ATOM 0 H LEU A 45 10.420 -21.728 -11.091 1.00 0.00 H new ATOM 0 HA LEU A 45 12.685 -20.818 -9.472 1.00 0.00 H new ATOM 0 HB2 LEU A 45 9.958 -19.791 -10.216 1.00 0.00 H new ATOM 0 HB3 LEU A 45 10.722 -19.186 -8.759 1.00 0.00 H new ATOM 0 HG LEU A 45 11.071 -17.707 -10.689 1.00 0.00 H new ATOM 0 HD11 LEU A 45 13.511 -17.454 -10.464 1.00 0.00 H new ATOM 0 HD12 LEU A 45 12.729 -17.743 -8.892 1.00 0.00 H new ATOM 0 HD13 LEU A 45 13.604 -19.062 -9.707 1.00 0.00 H new ATOM 0 HD21 LEU A 45 12.555 -18.406 -12.528 1.00 0.00 H new ATOM 0 HD22 LEU A 45 12.609 -20.052 -11.852 1.00 0.00 H new ATOM 0 HD23 LEU A 45 11.074 -19.391 -12.463 1.00 0.00 H new ATOM 706 N SER A 46 11.453 -20.965 -7.116 1.00 0.00 N ATOM 707 CA SER A 46 11.058 -21.468 -5.806 1.00 0.00 C ATOM 708 C SER A 46 9.875 -20.677 -5.254 1.00 0.00 C ATOM 709 O SER A 46 10.021 -19.526 -4.844 1.00 0.00 O ATOM 710 CB SER A 46 12.235 -21.392 -4.831 1.00 0.00 C ATOM 711 OG SER A 46 13.367 -22.074 -5.344 1.00 0.00 O ATOM 0 H SER A 46 11.986 -20.096 -7.091 1.00 0.00 H new ATOM 0 HA SER A 46 10.756 -22.509 -5.920 1.00 0.00 H new ATOM 0 HB2 SER A 46 12.489 -20.349 -4.643 1.00 0.00 H new ATOM 0 HB3 SER A 46 11.947 -21.827 -3.874 1.00 0.00 H new ATOM 0 HG SER A 46 14.106 -22.009 -4.703 1.00 0.00 H new ATOM 717 N TYR A 47 8.705 -21.305 -5.249 1.00 0.00 N ATOM 718 CA TYR A 47 7.495 -20.661 -4.751 1.00 0.00 C ATOM 719 C TYR A 47 7.629 -20.321 -3.269 1.00 0.00 C ATOM 720 O TYR A 47 6.994 -19.390 -2.773 1.00 0.00 O ATOM 721 CB TYR A 47 6.282 -21.567 -4.970 1.00 0.00 C ATOM 722 CG TYR A 47 5.008 -21.032 -4.356 1.00 0.00 C ATOM 723 CD1 TYR A 47 4.261 -20.053 -4.998 1.00 0.00 C ATOM 724 CD2 TYR A 47 4.551 -21.508 -3.133 1.00 0.00 C ATOM 725 CE1 TYR A 47 3.097 -19.561 -4.440 1.00 0.00 C ATOM 726 CE2 TYR A 47 3.387 -21.024 -2.568 1.00 0.00 C ATOM 727 CZ TYR A 47 2.664 -20.050 -3.225 1.00 0.00 C ATOM 728 OH TYR A 47 1.504 -19.564 -2.666 1.00 0.00 O ATOM 0 H TYR A 47 8.568 -22.259 -5.584 1.00 0.00 H new ATOM 0 HA TYR A 47 7.353 -19.734 -5.307 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.130 -21.704 -6.041 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.493 -22.550 -4.550 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.596 -19.669 -5.950 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.116 -22.269 -2.615 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.529 -18.798 -4.952 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.045 -21.406 -1.617 1.00 0.00 H new ATOM 0 HH TYR A 47 1.340 -20.014 -1.811 1.00 0.00 H new ATOM 738 N LYS A 48 8.461 -21.083 -2.567 1.00 0.00 N ATOM 739 CA LYS A 48 8.682 -20.865 -1.143 1.00 0.00 C ATOM 740 C LYS A 48 9.166 -19.442 -0.880 1.00 0.00 C ATOM 741 O LYS A 48 8.792 -18.824 0.116 1.00 0.00 O ATOM 742 CB LYS A 48 9.703 -21.870 -0.604 1.00 0.00 C ATOM 743 CG LYS A 48 9.289 -23.319 -0.797 1.00 0.00 C ATOM 744 CD LYS A 48 8.234 -23.736 0.214 1.00 0.00 C ATOM 745 CE LYS A 48 7.371 -24.870 -0.318 1.00 0.00 C ATOM 746 NZ LYS A 48 6.571 -25.512 0.761 1.00 0.00 N ATOM 0 H LYS A 48 8.994 -21.858 -2.962 1.00 0.00 H new ATOM 0 HA LYS A 48 7.733 -21.009 -0.627 1.00 0.00 H new ATOM 0 HB2 LYS A 48 10.660 -21.705 -1.100 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.858 -21.683 0.459 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.902 -23.456 -1.806 1.00 0.00 H new ATOM 0 HG3 LYS A 48 10.162 -23.964 -0.700 1.00 0.00 H new ATOM 0 HD2 LYS A 48 8.718 -24.049 1.139 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.604 -22.881 0.458 1.00 0.00 H new ATOM 0 HE2 LYS A 48 6.701 -24.486 -1.087 1.00 0.00 H new ATOM 0 HE3 LYS A 48 8.006 -25.618 -0.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.997 -26.279 0.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 7.211 -25.901 1.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.946 -24.805 1.197 1.00 0.00 H new ATOM 760 N ALA A 49 9.999 -18.929 -1.779 1.00 0.00 N ATOM 761 CA ALA A 49 10.531 -17.579 -1.646 1.00 0.00 C ATOM 762 C ALA A 49 9.442 -16.535 -1.870 1.00 0.00 C ATOM 763 O ALA A 49 9.457 -15.466 -1.259 1.00 0.00 O ATOM 764 CB ALA A 49 11.679 -17.365 -2.621 1.00 0.00 C ATOM 0 H ALA A 49 10.320 -19.429 -2.608 1.00 0.00 H new ATOM 0 HA ALA A 49 10.906 -17.462 -0.629 1.00 0.00 H new ATOM 0 HB1 ALA A 49 12.066 -16.352 -2.510 1.00 0.00 H new ATOM 0 HB2 ALA A 49 12.473 -18.082 -2.411 1.00 0.00 H new ATOM 0 HB3 ALA A 49 11.322 -17.507 -3.641 1.00 0.00 H new ATOM 770 N LEU A 50 8.499 -16.851 -2.750 1.00 0.00 N ATOM 771 CA LEU A 50 7.401 -15.940 -3.056 1.00 0.00 C ATOM 772 C LEU A 50 6.396 -15.895 -1.910 1.00 0.00 C ATOM 773 O LEU A 50 6.053 -14.822 -1.413 1.00 0.00 O ATOM 774 CB LEU A 50 6.701 -16.369 -4.347 1.00 0.00 C ATOM 775 CG LEU A 50 6.148 -15.239 -5.217 1.00 0.00 C ATOM 776 CD1 LEU A 50 5.065 -14.474 -4.472 1.00 0.00 C ATOM 777 CD2 LEU A 50 7.266 -14.302 -5.649 1.00 0.00 C ATOM 0 H LEU A 50 8.472 -17.731 -3.265 1.00 0.00 H new ATOM 0 HA LEU A 50 7.816 -14.941 -3.190 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.405 -16.949 -4.944 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.879 -17.036 -4.087 1.00 0.00 H new ATOM 0 HG LEU A 50 5.705 -15.678 -6.111 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.683 -13.674 -5.106 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.252 -15.153 -4.215 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.483 -14.046 -3.561 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.854 -13.504 -6.267 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.740 -13.870 -4.767 1.00 0.00 H new ATOM 0 HD23 LEU A 50 8.007 -14.859 -6.222 1.00 0.00 H new ATOM 789 N VAL A 51 5.928 -17.067 -1.493 1.00 0.00 N ATOM 790 CA VAL A 51 4.964 -17.162 -0.403 1.00 0.00 C ATOM 791 C VAL A 51 5.508 -16.520 0.868 1.00 0.00 C ATOM 792 O VAL A 51 4.770 -15.883 1.619 1.00 0.00 O ATOM 793 CB VAL A 51 4.593 -18.627 -0.108 1.00 0.00 C ATOM 794 CG1 VAL A 51 5.840 -19.442 0.202 1.00 0.00 C ATOM 795 CG2 VAL A 51 3.598 -18.703 1.040 1.00 0.00 C ATOM 0 H VAL A 51 6.201 -17.964 -1.894 1.00 0.00 H new ATOM 0 HA VAL A 51 4.070 -16.627 -0.723 1.00 0.00 H new ATOM 0 HB VAL A 51 4.123 -19.050 -0.996 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.558 -20.475 0.408 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.515 -19.414 -0.653 1.00 0.00 H new ATOM 0 HG13 VAL A 51 6.342 -19.022 1.074 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.347 -19.746 1.235 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.040 -18.263 1.934 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.694 -18.155 0.775 1.00 0.00 H new ATOM 805 N ALA A 52 6.804 -16.693 1.104 1.00 0.00 N ATOM 806 CA ALA A 52 7.448 -16.129 2.283 1.00 0.00 C ATOM 807 C ALA A 52 7.263 -14.616 2.339 1.00 0.00 C ATOM 808 O ALA A 52 6.930 -14.059 3.387 1.00 0.00 O ATOM 809 CB ALA A 52 8.928 -16.482 2.297 1.00 0.00 C ATOM 0 H ALA A 52 7.429 -17.220 0.494 1.00 0.00 H new ATOM 0 HA ALA A 52 6.975 -16.560 3.165 1.00 0.00 H new ATOM 0 HB1 ALA A 52 9.396 -16.054 3.184 1.00 0.00 H new ATOM 0 HB2 ALA A 52 9.043 -17.566 2.313 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.406 -16.080 1.404 1.00 0.00 H new ATOM 815 N LEU A 53 7.481 -13.956 1.207 1.00 0.00 N ATOM 816 CA LEU A 53 7.338 -12.506 1.127 1.00 0.00 C ATOM 817 C LEU A 53 5.874 -12.096 1.243 1.00 0.00 C ATOM 818 O LEU A 53 5.532 -11.185 1.997 1.00 0.00 O ATOM 819 CB LEU A 53 7.923 -11.988 -0.188 1.00 0.00 C ATOM 820 CG LEU A 53 9.431 -12.163 -0.367 1.00 0.00 C ATOM 821 CD1 LEU A 53 9.813 -12.037 -1.833 1.00 0.00 C ATOM 822 CD2 LEU A 53 10.189 -11.145 0.473 1.00 0.00 C ATOM 0 H LEU A 53 7.757 -14.401 0.332 1.00 0.00 H new ATOM 0 HA LEU A 53 7.886 -12.065 1.960 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.419 -12.494 -1.011 1.00 0.00 H new ATOM 0 HB3 LEU A 53 7.688 -10.927 -0.274 1.00 0.00 H new ATOM 0 HG LEU A 53 9.704 -13.162 -0.026 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.890 -12.164 -1.941 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.297 -12.804 -2.411 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.526 -11.052 -2.200 1.00 0.00 H new ATOM 0 HD21 LEU A 53 11.261 -11.284 0.333 1.00 0.00 H new ATOM 0 HD22 LEU A 53 9.910 -10.138 0.163 1.00 0.00 H new ATOM 0 HD23 LEU A 53 9.939 -11.283 1.525 1.00 0.00 H new ATOM 834 N ARG A 54 5.013 -12.775 0.491 1.00 0.00 N ATOM 835 CA ARG A 54 3.585 -12.482 0.510 1.00 0.00 C ATOM 836 C ARG A 54 3.017 -12.636 1.918 1.00 0.00 C ATOM 837 O ARG A 54 2.205 -11.824 2.362 1.00 0.00 O ATOM 838 CB ARG A 54 2.841 -13.405 -0.456 1.00 0.00 C ATOM 839 CG ARG A 54 1.763 -12.700 -1.264 1.00 0.00 C ATOM 840 CD ARG A 54 0.911 -13.691 -2.040 1.00 0.00 C ATOM 841 NE ARG A 54 1.708 -14.494 -2.963 1.00 0.00 N ATOM 842 CZ ARG A 54 1.233 -15.545 -3.622 1.00 0.00 C ATOM 843 NH1 ARG A 54 -0.029 -15.917 -3.462 1.00 0.00 N ATOM 844 NH2 ARG A 54 2.021 -16.226 -4.444 1.00 0.00 N ATOM 0 H ARG A 54 5.280 -13.532 -0.139 1.00 0.00 H new ATOM 0 HA ARG A 54 3.447 -11.448 0.193 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.560 -13.856 -1.140 1.00 0.00 H new ATOM 0 HB3 ARG A 54 2.386 -14.218 0.110 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.128 -12.118 -0.596 1.00 0.00 H new ATOM 0 HG3 ARG A 54 2.227 -11.997 -1.956 1.00 0.00 H new ATOM 0 HD2 ARG A 54 0.393 -14.349 -1.342 1.00 0.00 H new ATOM 0 HD3 ARG A 54 0.145 -13.152 -2.597 1.00 0.00 H new ATOM 0 HE ARG A 54 2.683 -14.234 -3.110 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.638 -15.396 -2.832 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.391 -16.724 -3.969 1.00 0.00 H new ATOM 0 HH21 ARG A 54 2.993 -15.943 -4.570 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.655 -17.033 -4.949 1.00 0.00 H new ATOM 858 N ARG A 55 3.448 -13.683 2.613 1.00 0.00 N ATOM 859 CA ARG A 55 2.981 -13.945 3.969 1.00 0.00 C ATOM 860 C ARG A 55 3.377 -12.810 4.909 1.00 0.00 C ATOM 861 O ARG A 55 2.613 -12.430 5.797 1.00 0.00 O ATOM 862 CB ARG A 55 3.553 -15.268 4.482 1.00 0.00 C ATOM 863 CG ARG A 55 2.736 -16.483 4.073 1.00 0.00 C ATOM 864 CD ARG A 55 3.033 -17.679 4.965 1.00 0.00 C ATOM 865 NE ARG A 55 4.383 -18.196 4.755 1.00 0.00 N ATOM 866 CZ ARG A 55 4.812 -19.351 5.250 1.00 0.00 C ATOM 867 NH1 ARG A 55 4.001 -20.107 5.979 1.00 0.00 N ATOM 868 NH2 ARG A 55 6.055 -19.754 5.016 1.00 0.00 N ATOM 0 H ARG A 55 4.120 -14.364 2.259 1.00 0.00 H new ATOM 0 HA ARG A 55 1.893 -14.012 3.945 1.00 0.00 H new ATOM 0 HB2 ARG A 55 4.571 -15.383 4.110 1.00 0.00 H new ATOM 0 HB3 ARG A 55 3.614 -15.231 5.570 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.674 -16.243 4.125 1.00 0.00 H new ATOM 0 HG3 ARG A 55 2.955 -16.738 3.036 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.913 -17.391 6.009 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.308 -18.468 4.767 1.00 0.00 H new ATOM 0 HE ARG A 55 5.031 -17.640 4.198 1.00 0.00 H new ATOM 0 HH11 ARG A 55 3.045 -19.801 6.161 1.00 0.00 H new ATOM 0 HH12 ARG A 55 4.334 -20.994 6.358 1.00 0.00 H new ATOM 0 HH21 ARG A 55 6.681 -19.176 4.456 1.00 0.00 H new ATOM 0 HH22 ARG A 55 6.384 -20.641 5.397 1.00 0.00 H new ATOM 882 N VAL A 56 4.575 -12.272 4.707 1.00 0.00 N ATOM 883 CA VAL A 56 5.073 -11.180 5.536 1.00 0.00 C ATOM 884 C VAL A 56 4.291 -9.896 5.280 1.00 0.00 C ATOM 885 O VAL A 56 3.996 -9.140 6.207 1.00 0.00 O ATOM 886 CB VAL A 56 6.568 -10.917 5.280 1.00 0.00 C ATOM 887 CG1 VAL A 56 7.060 -9.756 6.131 1.00 0.00 C ATOM 888 CG2 VAL A 56 7.384 -12.172 5.554 1.00 0.00 C ATOM 0 H VAL A 56 5.219 -12.574 3.976 1.00 0.00 H new ATOM 0 HA VAL A 56 4.938 -11.484 6.574 1.00 0.00 H new ATOM 0 HB VAL A 56 6.697 -10.648 4.232 1.00 0.00 H new ATOM 0 HG11 VAL A 56 8.119 -9.585 5.936 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.496 -8.857 5.882 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.919 -9.992 7.186 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.438 -11.968 5.368 1.00 0.00 H new ATOM 0 HG22 VAL A 56 7.250 -12.473 6.593 1.00 0.00 H new ATOM 0 HG23 VAL A 56 7.048 -12.975 4.897 1.00 0.00 H new ATOM 898 N LEU A 57 3.958 -9.655 4.016 1.00 0.00 N ATOM 899 CA LEU A 57 3.210 -8.462 3.637 1.00 0.00 C ATOM 900 C LEU A 57 1.813 -8.477 4.250 1.00 0.00 C ATOM 901 O LEU A 57 1.364 -7.484 4.823 1.00 0.00 O ATOM 902 CB LEU A 57 3.109 -8.362 2.114 1.00 0.00 C ATOM 903 CG LEU A 57 4.093 -7.407 1.437 1.00 0.00 C ATOM 904 CD1 LEU A 57 5.526 -7.846 1.695 1.00 0.00 C ATOM 905 CD2 LEU A 57 3.818 -7.329 -0.057 1.00 0.00 C ATOM 0 H LEU A 57 4.194 -10.270 3.237 1.00 0.00 H new ATOM 0 HA LEU A 57 3.745 -7.592 4.018 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.253 -9.358 1.694 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.097 -8.051 1.857 1.00 0.00 H new ATOM 0 HG LEU A 57 3.957 -6.413 1.863 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.212 -7.155 1.206 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.718 -7.849 2.768 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.676 -8.849 1.297 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.528 -6.645 -0.522 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.926 -8.320 -0.499 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.803 -6.967 -0.222 1.00 0.00 H new ATOM 917 N LEU A 58 1.132 -9.611 4.128 1.00 0.00 N ATOM 918 CA LEU A 58 -0.214 -9.757 4.673 1.00 0.00 C ATOM 919 C LEU A 58 -0.179 -9.840 6.196 1.00 0.00 C ATOM 920 O LEU A 58 -1.091 -9.368 6.874 1.00 0.00 O ATOM 921 CB LEU A 58 -0.885 -11.005 4.098 1.00 0.00 C ATOM 922 CG LEU A 58 -0.125 -12.320 4.279 1.00 0.00 C ATOM 923 CD1 LEU A 58 -0.455 -12.946 5.625 1.00 0.00 C ATOM 924 CD2 LEU A 58 -0.449 -13.283 3.146 1.00 0.00 C ATOM 0 H LEU A 58 1.489 -10.442 3.657 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.792 -8.878 4.389 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.867 -11.110 4.559 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.048 -10.847 3.032 1.00 0.00 H new ATOM 0 HG LEU A 58 0.944 -12.107 4.253 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.095 -13.881 5.736 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.172 -12.261 6.424 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.525 -13.146 5.681 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.100 -14.213 3.291 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.519 -13.491 3.140 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.161 -12.836 2.195 1.00 0.00 H new ATOM 936 N ALA A 59 0.881 -10.442 6.726 1.00 0.00 N ATOM 937 CA ALA A 59 1.037 -10.583 8.168 1.00 0.00 C ATOM 938 C ALA A 59 1.007 -9.224 8.859 1.00 0.00 C ATOM 939 O ALA A 59 0.307 -9.040 9.855 1.00 0.00 O ATOM 940 CB ALA A 59 2.333 -11.312 8.490 1.00 0.00 C ATOM 0 H ALA A 59 1.644 -10.840 6.178 1.00 0.00 H new ATOM 0 HA ALA A 59 0.199 -11.171 8.543 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.436 -11.410 9.571 1.00 0.00 H new ATOM 0 HB2 ALA A 59 2.316 -12.303 8.036 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.177 -10.746 8.095 1.00 0.00 H new ATOM 946 N GLN A 60 1.770 -8.276 8.325 1.00 0.00 N ATOM 947 CA GLN A 60 1.831 -6.935 8.892 1.00 0.00 C ATOM 948 C GLN A 60 0.549 -6.162 8.601 1.00 0.00 C ATOM 949 O GLN A 60 0.079 -5.384 9.432 1.00 0.00 O ATOM 950 CB GLN A 60 3.036 -6.176 8.332 1.00 0.00 C ATOM 951 CG GLN A 60 4.373 -6.755 8.762 1.00 0.00 C ATOM 952 CD GLN A 60 5.460 -5.703 8.864 1.00 0.00 C ATOM 953 OE1 GLN A 60 6.052 -5.506 9.926 1.00 0.00 O ATOM 954 NE2 GLN A 60 5.728 -5.020 7.757 1.00 0.00 N ATOM 0 H GLN A 60 2.355 -8.412 7.500 1.00 0.00 H new ATOM 0 HA GLN A 60 1.940 -7.029 9.972 1.00 0.00 H new ATOM 0 HB2 GLN A 60 2.982 -6.178 7.243 1.00 0.00 H new ATOM 0 HB3 GLN A 60 2.980 -5.136 8.652 1.00 0.00 H new ATOM 0 HG2 GLN A 60 4.258 -7.247 9.728 1.00 0.00 H new ATOM 0 HG3 GLN A 60 4.679 -7.520 8.049 1.00 0.00 H new ATOM 0 HE21 GLN A 60 5.213 -5.217 6.899 1.00 0.00 H new ATOM 0 HE22 GLN A 60 6.449 -4.299 7.765 1.00 0.00 H new ATOM 963 N PHE A 61 -0.013 -6.382 7.417 1.00 0.00 N ATOM 964 CA PHE A 61 -1.241 -5.705 7.016 1.00 0.00 C ATOM 965 C PHE A 61 -2.410 -6.129 7.901 1.00 0.00 C ATOM 966 O PHE A 61 -3.372 -5.382 8.078 1.00 0.00 O ATOM 967 CB PHE A 61 -1.561 -6.008 5.551 1.00 0.00 C ATOM 968 CG PHE A 61 -2.715 -5.213 5.012 1.00 0.00 C ATOM 969 CD1 PHE A 61 -2.809 -3.852 5.253 1.00 0.00 C ATOM 970 CD2 PHE A 61 -3.708 -5.827 4.265 1.00 0.00 C ATOM 971 CE1 PHE A 61 -3.870 -3.117 4.758 1.00 0.00 C ATOM 972 CE2 PHE A 61 -4.771 -5.097 3.768 1.00 0.00 C ATOM 973 CZ PHE A 61 -4.853 -3.741 4.016 1.00 0.00 C ATOM 0 H PHE A 61 0.362 -7.024 6.719 1.00 0.00 H new ATOM 0 HA PHE A 61 -1.089 -4.632 7.133 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -0.677 -5.807 4.945 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -1.783 -7.070 5.448 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -2.044 -3.359 5.835 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -3.650 -6.888 4.069 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -3.930 -2.056 4.951 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -5.537 -5.587 3.186 1.00 0.00 H new ATOM 0 HZ PHE A 61 -5.684 -3.170 3.630 1.00 0.00 H new