USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 516 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 8 CYS SG : rot 180:sc= -0.257 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= -0.692! USER MOD Single : A 27 THR OG1 : rot -120:sc= -1.62! USER MOD Single : A 28 CYS SG : rot 29:sc= 0.451 USER MOD Single : A 31 SER OG : rot 39:sc= 0.808 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 167:sc= -0.151 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 151:sc= 0.308 USER MOD Single : A 39 THR OG1 : rot -36:sc= 0.884 USER MOD Single : A 45 SER OG : rot 46:sc= 0.981 USER MOD Single : A 46 LYS NZ :NH3+ -117:sc= 1.7 (180deg=-0.287) USER MOD Single : A 50 THR OG1 : rot 81:sc= 1.05 USER MOD Single : A 52 TYR OH : rot 30:sc= 0 USER MOD Single : A 57 CYS SG : rot 150:sc= 0.268 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.117 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -2.19 K(o=-2.2,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 55 N TRP A 5 -4.147 9.092 9.330 1.00 0.00 N ATOM 56 CA TRP A 5 -2.732 8.623 9.253 1.00 0.00 C ATOM 57 C TRP A 5 -2.195 8.326 10.655 1.00 0.00 C ATOM 58 O TRP A 5 -1.983 9.220 11.452 1.00 0.00 O ATOM 59 CB TRP A 5 -1.960 9.781 8.620 1.00 0.00 C ATOM 60 CG TRP A 5 -1.936 9.609 7.136 1.00 0.00 C ATOM 61 CD1 TRP A 5 -2.510 10.452 6.246 1.00 0.00 C ATOM 62 CD2 TRP A 5 -1.319 8.547 6.354 1.00 0.00 C ATOM 63 NE1 TRP A 5 -2.284 9.973 4.969 1.00 0.00 N ATOM 64 CE2 TRP A 5 -1.554 8.802 4.982 1.00 0.00 C ATOM 65 CE3 TRP A 5 -0.585 7.397 6.699 1.00 0.00 C ATOM 66 CZ2 TRP A 5 -1.078 7.947 3.988 1.00 0.00 C ATOM 67 CZ3 TRP A 5 -0.104 6.535 5.700 1.00 0.00 C ATOM 68 CH2 TRP A 5 -0.351 6.809 4.348 1.00 0.00 C ATOM 0 HA TRP A 5 -2.636 7.705 8.674 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -2.429 10.730 8.880 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -0.943 9.811 9.010 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -3.055 11.351 6.493 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -2.617 10.430 4.120 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -0.390 7.176 7.738 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -1.270 8.163 2.947 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 0.460 5.656 5.975 1.00 0.00 H new ATOM 0 HH2 TRP A 5 0.020 6.141 3.585 1.00 0.00 H new ATOM 79 N LEU A 6 -1.972 7.077 10.959 1.00 0.00 N ATOM 80 CA LEU A 6 -1.446 6.714 12.305 1.00 0.00 C ATOM 81 C LEU A 6 0.042 6.367 12.208 1.00 0.00 C ATOM 82 O LEU A 6 0.507 5.864 11.204 1.00 0.00 O ATOM 83 CB LEU A 6 -2.257 5.490 12.730 1.00 0.00 C ATOM 84 CG LEU A 6 -3.718 5.894 12.938 1.00 0.00 C ATOM 85 CD1 LEU A 6 -4.565 4.640 13.165 1.00 0.00 C ATOM 86 CD2 LEU A 6 -3.824 6.808 14.160 1.00 0.00 C ATOM 0 H LEU A 6 -2.132 6.290 10.331 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.538 7.530 13.022 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.188 4.713 11.969 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.849 5.072 13.650 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.079 6.423 12.056 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.606 4.926 13.313 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.489 3.987 12.296 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.204 4.112 14.048 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -4.864 7.097 14.309 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.464 6.279 15.042 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.219 7.701 14.000 1.00 0.00 H new ATOM 98 N ASP A 7 0.791 6.636 13.242 1.00 0.00 N ATOM 99 CA ASP A 7 2.252 6.329 13.214 1.00 0.00 C ATOM 100 C ASP A 7 2.488 4.859 12.855 1.00 0.00 C ATOM 101 O ASP A 7 1.612 4.027 12.988 1.00 0.00 O ATOM 102 CB ASP A 7 2.746 6.616 14.633 1.00 0.00 C ATOM 103 CG ASP A 7 3.281 8.047 14.709 1.00 0.00 C ATOM 104 OD1 ASP A 7 2.572 8.946 14.288 1.00 0.00 O ATOM 105 OD2 ASP A 7 4.391 8.219 15.185 1.00 0.00 O ATOM 0 H ASP A 7 0.454 7.056 14.108 1.00 0.00 H new ATOM 0 HA ASP A 7 2.778 6.923 12.467 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.933 6.482 15.346 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.529 5.909 14.907 1.00 0.00 H new ATOM 110 N CYS A 8 3.669 4.539 12.403 1.00 0.00 N ATOM 111 CA CYS A 8 3.982 3.131 12.033 1.00 0.00 C ATOM 112 C CYS A 8 5.352 2.743 12.602 1.00 0.00 C ATOM 113 O CYS A 8 6.343 2.760 11.899 1.00 0.00 O ATOM 114 CB CYS A 8 4.007 3.115 10.506 1.00 0.00 C ATOM 115 SG CYS A 8 4.190 1.412 9.923 1.00 0.00 S ATOM 0 H CYS A 8 4.436 5.198 12.273 1.00 0.00 H new ATOM 0 HA CYS A 8 3.255 2.422 12.428 1.00 0.00 H new ATOM 0 HB2 CYS A 8 3.088 3.549 10.112 1.00 0.00 H new ATOM 0 HB3 CYS A 8 4.831 3.727 10.139 1.00 0.00 H new ATOM 0 HG CYS A 8 4.209 1.398 8.623 1.00 0.00 H new ATOM 121 N PRO A 9 5.358 2.404 13.865 1.00 0.00 N ATOM 122 CA PRO A 9 6.617 2.007 14.548 1.00 0.00 C ATOM 123 C PRO A 9 7.112 0.647 14.057 1.00 0.00 C ATOM 124 O PRO A 9 8.172 0.192 14.441 1.00 0.00 O ATOM 125 CB PRO A 9 6.217 1.914 16.014 1.00 0.00 C ATOM 126 CG PRO A 9 4.743 1.676 15.999 1.00 0.00 C ATOM 127 CD PRO A 9 4.205 2.355 14.771 1.00 0.00 C ATOM 0 HA PRO A 9 7.427 2.712 14.360 1.00 0.00 H new ATOM 0 HB2 PRO A 9 6.743 1.102 16.516 1.00 0.00 H new ATOM 0 HB3 PRO A 9 6.463 2.831 16.549 1.00 0.00 H new ATOM 0 HG2 PRO A 9 4.524 0.608 15.977 1.00 0.00 H new ATOM 0 HG3 PRO A 9 4.277 2.079 16.899 1.00 0.00 H new ATOM 0 HD2 PRO A 9 3.377 1.796 14.335 1.00 0.00 H new ATOM 0 HD3 PRO A 9 3.831 3.354 14.997 1.00 0.00 H new ATOM 135 N ALA A 10 6.355 -0.012 13.226 1.00 0.00 N ATOM 136 CA ALA A 10 6.788 -1.348 12.735 1.00 0.00 C ATOM 137 C ALA A 10 8.144 -1.260 12.024 1.00 0.00 C ATOM 138 O ALA A 10 8.796 -2.258 11.793 1.00 0.00 O ATOM 139 CB ALA A 10 5.702 -1.779 11.750 1.00 0.00 C ATOM 0 H ALA A 10 5.458 0.316 12.867 1.00 0.00 H new ATOM 0 HA ALA A 10 6.912 -2.057 13.554 1.00 0.00 H new ATOM 0 HB1 ALA A 10 5.949 -2.759 11.342 1.00 0.00 H new ATOM 0 HB2 ALA A 10 4.743 -1.832 12.266 1.00 0.00 H new ATOM 0 HB3 ALA A 10 5.638 -1.054 10.939 1.00 0.00 H new ATOM 145 N LEU A 11 8.571 -0.080 11.665 1.00 0.00 N ATOM 146 CA LEU A 11 9.878 0.053 10.962 1.00 0.00 C ATOM 147 C LEU A 11 10.774 1.069 11.677 1.00 0.00 C ATOM 148 O LEU A 11 11.777 0.716 12.266 1.00 0.00 O ATOM 149 CB LEU A 11 9.518 0.543 9.560 1.00 0.00 C ATOM 150 CG LEU A 11 8.634 -0.500 8.869 1.00 0.00 C ATOM 151 CD1 LEU A 11 7.277 0.120 8.526 1.00 0.00 C ATOM 152 CD2 LEU A 11 9.315 -0.975 7.584 1.00 0.00 C ATOM 0 H LEU A 11 8.073 0.795 11.828 1.00 0.00 H new ATOM 0 HA LEU A 11 10.432 -0.886 10.940 1.00 0.00 H new ATOM 0 HB2 LEU A 11 8.995 1.497 9.619 1.00 0.00 H new ATOM 0 HB3 LEU A 11 10.424 0.712 8.978 1.00 0.00 H new ATOM 0 HG LEU A 11 8.486 -1.347 9.539 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.651 -0.624 8.035 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.790 0.458 9.441 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.423 0.969 7.858 1.00 0.00 H new ATOM 0 HD21 LEU A 11 8.686 -1.717 7.092 1.00 0.00 H new ATOM 0 HD22 LEU A 11 9.465 -0.126 6.916 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.280 -1.420 7.827 1.00 0.00 H new ATOM 164 N GLY A 12 10.423 2.327 11.629 1.00 0.00 N ATOM 165 CA GLY A 12 11.260 3.359 12.305 1.00 0.00 C ATOM 166 C GLY A 12 10.473 4.668 12.424 1.00 0.00 C ATOM 167 O GLY A 12 9.330 4.741 12.019 1.00 0.00 O ATOM 0 H GLY A 12 9.595 2.683 11.152 1.00 0.00 H new ATOM 0 HA2 GLY A 12 11.555 3.010 13.295 1.00 0.00 H new ATOM 0 HA3 GLY A 12 12.177 3.525 11.739 1.00 0.00 H new ATOM 171 N PRO A 13 11.115 5.665 12.982 1.00 0.00 N ATOM 172 CA PRO A 13 10.462 6.985 13.157 1.00 0.00 C ATOM 173 C PRO A 13 10.352 7.708 11.814 1.00 0.00 C ATOM 174 O PRO A 13 11.248 8.421 11.405 1.00 0.00 O ATOM 175 CB PRO A 13 11.402 7.728 14.102 1.00 0.00 C ATOM 176 CG PRO A 13 12.739 7.088 13.906 1.00 0.00 C ATOM 177 CD PRO A 13 12.492 5.658 13.497 1.00 0.00 C ATOM 0 HA PRO A 13 9.446 6.913 13.546 1.00 0.00 H new ATOM 0 HB2 PRO A 13 11.436 8.792 13.868 1.00 0.00 H new ATOM 0 HB3 PRO A 13 11.071 7.640 15.137 1.00 0.00 H new ATOM 0 HG2 PRO A 13 13.309 7.614 13.140 1.00 0.00 H new ATOM 0 HG3 PRO A 13 13.324 7.130 14.825 1.00 0.00 H new ATOM 0 HD2 PRO A 13 13.201 5.333 12.735 1.00 0.00 H new ATOM 0 HD3 PRO A 13 12.598 4.978 14.342 1.00 0.00 H new ATOM 185 N GLY A 14 9.258 7.526 11.126 1.00 0.00 N ATOM 186 CA GLY A 14 9.078 8.194 9.808 1.00 0.00 C ATOM 187 C GLY A 14 7.928 7.522 9.057 1.00 0.00 C ATOM 188 O GLY A 14 7.241 8.138 8.266 1.00 0.00 O ATOM 0 H GLY A 14 8.478 6.940 11.423 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.866 9.254 9.950 1.00 0.00 H new ATOM 0 HA3 GLY A 14 9.997 8.128 9.225 1.00 0.00 H new ATOM 192 N TRP A 15 7.736 6.249 9.281 1.00 0.00 N ATOM 193 CA TRP A 15 6.654 5.513 8.562 1.00 0.00 C ATOM 194 C TRP A 15 5.270 5.900 9.086 1.00 0.00 C ATOM 195 O TRP A 15 5.072 6.120 10.265 1.00 0.00 O ATOM 196 CB TRP A 15 6.934 4.035 8.837 1.00 0.00 C ATOM 197 CG TRP A 15 8.050 3.570 7.958 1.00 0.00 C ATOM 198 CD1 TRP A 15 9.356 3.542 8.308 1.00 0.00 C ATOM 199 CD2 TRP A 15 7.983 3.069 6.591 1.00 0.00 C ATOM 200 NE1 TRP A 15 10.094 3.056 7.244 1.00 0.00 N ATOM 201 CE2 TRP A 15 9.292 2.751 6.163 1.00 0.00 C ATOM 202 CE3 TRP A 15 6.922 2.863 5.690 1.00 0.00 C ATOM 203 CZ2 TRP A 15 9.543 2.246 4.888 1.00 0.00 C ATOM 204 CZ3 TRP A 15 7.171 2.356 4.405 1.00 0.00 C ATOM 205 CH2 TRP A 15 8.479 2.048 4.005 1.00 0.00 C ATOM 0 H TRP A 15 8.283 5.686 9.932 1.00 0.00 H new ATOM 0 HA TRP A 15 6.651 5.747 7.497 1.00 0.00 H new ATOM 0 HB2 TRP A 15 7.198 3.892 9.885 1.00 0.00 H new ATOM 0 HB3 TRP A 15 6.038 3.443 8.650 1.00 0.00 H new ATOM 0 HD1 TRP A 15 9.757 3.849 9.263 1.00 0.00 H new ATOM 0 HE1 TRP A 15 11.107 2.937 7.257 1.00 0.00 H new ATOM 0 HE3 TRP A 15 5.911 3.096 5.989 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 10.552 2.010 4.585 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 6.350 2.202 3.720 1.00 0.00 H new ATOM 0 HH2 TRP A 15 8.664 1.658 3.015 1.00 0.00 H new ATOM 216 N LYS A 16 4.309 5.963 8.206 1.00 0.00 N ATOM 217 CA LYS A 16 2.916 6.314 8.615 1.00 0.00 C ATOM 218 C LYS A 16 1.950 5.292 8.012 1.00 0.00 C ATOM 219 O LYS A 16 2.235 4.694 6.993 1.00 0.00 O ATOM 220 CB LYS A 16 2.665 7.703 8.028 1.00 0.00 C ATOM 221 CG LYS A 16 3.564 8.728 8.726 1.00 0.00 C ATOM 222 CD LYS A 16 2.763 9.470 9.799 1.00 0.00 C ATOM 223 CE LYS A 16 3.024 10.974 9.688 1.00 0.00 C ATOM 224 NZ LYS A 16 1.704 11.615 9.947 1.00 0.00 N ATOM 0 H LYS A 16 4.429 5.784 7.209 1.00 0.00 H new ATOM 0 HA LYS A 16 2.775 6.308 9.696 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.867 7.698 6.957 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.618 7.978 8.154 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.420 8.227 9.179 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.958 9.437 7.997 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.699 9.266 9.679 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.046 9.114 10.790 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.770 11.300 10.413 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.403 11.237 8.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.802 12.649 9.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.016 11.292 9.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.371 11.353 10.897 1.00 0.00 H new ATOM 238 N ARG A 17 0.819 5.076 8.626 1.00 0.00 N ATOM 239 CA ARG A 17 -0.143 4.082 8.070 1.00 0.00 C ATOM 240 C ARG A 17 -1.553 4.680 7.996 1.00 0.00 C ATOM 241 O ARG A 17 -1.928 5.514 8.797 1.00 0.00 O ATOM 242 CB ARG A 17 -0.076 2.886 9.033 1.00 0.00 C ATOM 243 CG ARG A 17 -0.880 3.169 10.309 1.00 0.00 C ATOM 244 CD ARG A 17 -2.168 2.341 10.294 1.00 0.00 C ATOM 245 NE ARG A 17 -2.579 2.240 11.722 1.00 0.00 N ATOM 246 CZ ARG A 17 -3.506 1.391 12.076 1.00 0.00 C ATOM 247 NH1 ARG A 17 -4.660 1.392 11.467 1.00 0.00 N ATOM 248 NH2 ARG A 17 -3.277 0.541 13.039 1.00 0.00 N ATOM 0 H ARG A 17 0.520 5.541 9.483 1.00 0.00 H new ATOM 0 HA ARG A 17 0.104 3.784 7.051 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -0.467 1.995 8.541 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.963 2.678 9.291 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.286 2.921 11.189 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -1.118 4.231 10.374 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -2.940 2.823 9.694 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -1.998 1.355 9.862 1.00 0.00 H new ATOM 0 HE ARG A 17 -2.136 2.834 12.423 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -4.839 2.056 10.714 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -5.383 0.729 11.744 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -2.375 0.540 13.515 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -4.000 -0.123 13.316 1.00 0.00 H new ATOM 262 N ARG A 18 -2.334 4.266 7.034 1.00 0.00 N ATOM 263 CA ARG A 18 -3.716 4.815 6.903 1.00 0.00 C ATOM 264 C ARG A 18 -4.693 3.700 6.526 1.00 0.00 C ATOM 265 O ARG A 18 -4.303 2.661 6.031 1.00 0.00 O ATOM 266 CB ARG A 18 -3.621 5.855 5.782 1.00 0.00 C ATOM 267 CG ARG A 18 -5.011 6.427 5.487 1.00 0.00 C ATOM 268 CD ARG A 18 -4.872 7.754 4.734 1.00 0.00 C ATOM 269 NE ARG A 18 -5.656 7.571 3.481 1.00 0.00 N ATOM 270 CZ ARG A 18 -5.247 8.121 2.370 1.00 0.00 C ATOM 271 NH1 ARG A 18 -4.871 9.370 2.359 1.00 0.00 N ATOM 272 NH2 ARG A 18 -5.215 7.420 1.269 1.00 0.00 N ATOM 0 H ARG A 18 -2.075 3.572 6.333 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.081 5.251 7.833 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.942 6.656 6.073 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.207 5.398 4.883 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.588 5.719 4.892 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.557 6.581 6.418 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.259 8.585 5.324 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.827 7.977 4.517 1.00 0.00 H new ATOM 0 HE ARG A 18 -6.512 7.016 3.491 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.896 9.918 3.219 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.552 9.799 1.490 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.509 6.443 1.277 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.896 7.849 0.400 1.00 0.00 H new ATOM 286 N GLU A 19 -5.963 3.910 6.756 1.00 0.00 N ATOM 287 CA GLU A 19 -6.971 2.865 6.411 1.00 0.00 C ATOM 288 C GLU A 19 -7.870 3.359 5.274 1.00 0.00 C ATOM 289 O GLU A 19 -8.389 4.458 5.314 1.00 0.00 O ATOM 290 CB GLU A 19 -7.785 2.657 7.691 1.00 0.00 C ATOM 291 CG GLU A 19 -7.619 1.215 8.176 1.00 0.00 C ATOM 292 CD GLU A 19 -8.187 1.081 9.590 1.00 0.00 C ATOM 293 OE1 GLU A 19 -9.292 1.549 9.810 1.00 0.00 O ATOM 294 OE2 GLU A 19 -7.506 0.514 10.429 1.00 0.00 O ATOM 0 H GLU A 19 -6.346 4.761 7.168 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.508 1.938 6.072 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.452 3.351 8.462 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.837 2.869 7.503 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.133 0.532 7.500 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -6.565 0.937 8.169 1.00 0.00 H new ATOM 301 N VAL A 20 -8.057 2.556 4.262 1.00 0.00 N ATOM 302 CA VAL A 20 -8.920 2.977 3.120 1.00 0.00 C ATOM 303 C VAL A 20 -10.116 2.033 2.988 1.00 0.00 C ATOM 304 O VAL A 20 -10.027 0.992 2.369 1.00 0.00 O ATOM 305 CB VAL A 20 -8.029 2.881 1.880 1.00 0.00 C ATOM 306 CG1 VAL A 20 -8.761 3.482 0.678 1.00 0.00 C ATOM 307 CG2 VAL A 20 -6.730 3.653 2.120 1.00 0.00 C ATOM 0 H VAL A 20 -7.649 1.625 4.176 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.316 3.983 3.257 1.00 0.00 H new ATOM 0 HB VAL A 20 -7.798 1.834 1.682 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -8.127 3.414 -0.206 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -9.686 2.933 0.504 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.992 4.528 0.879 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.097 3.583 1.236 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.960 4.699 2.320 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.206 3.227 2.976 1.00 0.00 H new ATOM 317 N PHE A 21 -11.236 2.388 3.562 1.00 0.00 N ATOM 318 CA PHE A 21 -12.440 1.507 3.471 1.00 0.00 C ATOM 319 C PHE A 21 -13.188 1.754 2.155 1.00 0.00 C ATOM 320 O PHE A 21 -14.401 1.808 2.126 1.00 0.00 O ATOM 321 CB PHE A 21 -13.311 1.911 4.662 1.00 0.00 C ATOM 322 CG PHE A 21 -13.932 0.680 5.277 1.00 0.00 C ATOM 323 CD1 PHE A 21 -14.687 -0.194 4.485 1.00 0.00 C ATOM 324 CD2 PHE A 21 -13.754 0.413 6.638 1.00 0.00 C ATOM 325 CE1 PHE A 21 -15.264 -1.335 5.056 1.00 0.00 C ATOM 326 CE2 PHE A 21 -14.330 -0.728 7.210 1.00 0.00 C ATOM 327 CZ PHE A 21 -15.086 -1.601 6.419 1.00 0.00 C ATOM 0 H PHE A 21 -11.370 3.250 4.090 1.00 0.00 H new ATOM 0 HA PHE A 21 -12.178 0.449 3.490 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -12.709 2.436 5.404 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -14.091 2.600 4.338 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -14.824 0.012 3.434 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -13.172 1.087 7.249 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -15.846 -2.009 4.445 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -14.191 -0.934 8.261 1.00 0.00 H new ATOM 0 HZ PHE A 21 -15.532 -2.480 6.860 1.00 0.00 H new ATOM 337 N ARG A 22 -12.473 1.890 1.065 1.00 0.00 N ATOM 338 CA ARG A 22 -13.129 2.127 -0.258 1.00 0.00 C ATOM 339 C ARG A 22 -14.140 3.279 -0.177 1.00 0.00 C ATOM 340 O ARG A 22 -14.474 3.758 0.889 1.00 0.00 O ATOM 341 CB ARG A 22 -13.841 0.819 -0.577 1.00 0.00 C ATOM 342 CG ARG A 22 -12.947 -0.050 -1.460 1.00 0.00 C ATOM 343 CD ARG A 22 -12.898 0.529 -2.874 1.00 0.00 C ATOM 344 NE ARG A 22 -11.453 0.558 -3.225 1.00 0.00 N ATOM 345 CZ ARG A 22 -10.812 -0.550 -3.477 1.00 0.00 C ATOM 346 NH1 ARG A 22 -10.233 -1.206 -2.508 1.00 0.00 N ATOM 347 NH2 ARG A 22 -10.740 -0.998 -4.699 1.00 0.00 N ATOM 0 H ARG A 22 -11.454 1.847 1.036 1.00 0.00 H new ATOM 0 HA ARG A 22 -12.406 2.408 -1.024 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -14.082 0.290 0.345 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -14.784 1.021 -1.085 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -11.942 -0.097 -1.041 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -13.329 -1.071 -1.488 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -13.462 -0.088 -3.573 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -13.333 1.528 -2.907 1.00 0.00 H new ATOM 0 HE ARG A 22 -10.960 1.450 -3.269 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -10.281 -0.852 -1.552 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -9.732 -2.072 -2.706 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -11.185 -0.482 -5.458 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -10.239 -1.864 -4.896 1.00 0.00 H new ATOM 361 N LYS A 23 -14.630 3.726 -1.300 1.00 0.00 N ATOM 362 CA LYS A 23 -15.620 4.839 -1.290 1.00 0.00 C ATOM 363 C LYS A 23 -16.753 4.566 -2.288 1.00 0.00 C ATOM 364 O LYS A 23 -17.880 4.958 -2.063 1.00 0.00 O ATOM 365 CB LYS A 23 -14.830 6.080 -1.703 1.00 0.00 C ATOM 366 CG LYS A 23 -15.245 7.270 -0.833 1.00 0.00 C ATOM 367 CD LYS A 23 -14.777 7.048 0.610 1.00 0.00 C ATOM 368 CE LYS A 23 -13.258 6.855 0.638 1.00 0.00 C ATOM 369 NZ LYS A 23 -12.883 6.970 2.075 1.00 0.00 N ATOM 0 H LYS A 23 -14.388 3.369 -2.224 1.00 0.00 H new ATOM 0 HA LYS A 23 -16.087 4.958 -0.312 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -13.761 5.895 -1.596 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -15.011 6.305 -2.754 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -14.812 8.189 -1.228 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -16.328 7.391 -0.859 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -15.056 7.901 1.228 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -15.272 6.173 1.032 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -12.976 5.883 0.233 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -12.753 7.610 0.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.855 6.849 2.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -13.158 7.908 2.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -13.374 6.234 2.622 1.00 0.00 H new ATOM 383 N SER A 24 -16.465 3.896 -3.384 1.00 0.00 N ATOM 384 CA SER A 24 -17.536 3.602 -4.400 1.00 0.00 C ATOM 385 C SER A 24 -16.919 3.058 -5.696 1.00 0.00 C ATOM 386 O SER A 24 -15.743 2.760 -5.762 1.00 0.00 O ATOM 387 CB SER A 24 -18.229 4.944 -4.675 1.00 0.00 C ATOM 388 OG SER A 24 -18.949 4.871 -5.899 1.00 0.00 O ATOM 0 H SER A 24 -15.538 3.541 -3.619 1.00 0.00 H new ATOM 0 HA SER A 24 -18.233 2.849 -4.033 1.00 0.00 H new ATOM 0 HB2 SER A 24 -18.907 5.188 -3.857 1.00 0.00 H new ATOM 0 HB3 SER A 24 -17.489 5.743 -4.725 1.00 0.00 H new ATOM 0 HG SER A 24 -19.391 5.729 -6.070 1.00 0.00 H new ATOM 394 N GLY A 25 -17.716 2.935 -6.730 1.00 0.00 N ATOM 395 CA GLY A 25 -17.196 2.421 -8.032 1.00 0.00 C ATOM 396 C GLY A 25 -17.640 0.971 -8.232 1.00 0.00 C ATOM 397 O GLY A 25 -18.543 0.680 -8.992 1.00 0.00 O ATOM 0 H GLY A 25 -18.709 3.170 -6.726 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.564 3.040 -8.851 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -16.108 2.483 -8.049 1.00 0.00 H new ATOM 401 N ALA A 26 -17.002 0.063 -7.553 1.00 0.00 N ATOM 402 CA ALA A 26 -17.354 -1.382 -7.681 1.00 0.00 C ATOM 403 C ALA A 26 -16.673 -2.151 -6.550 1.00 0.00 C ATOM 404 O ALA A 26 -17.244 -3.031 -5.937 1.00 0.00 O ATOM 405 CB ALA A 26 -16.795 -1.806 -9.038 1.00 0.00 C ATOM 0 H ALA A 26 -16.240 0.260 -6.904 1.00 0.00 H new ATOM 0 HA ALA A 26 -18.425 -1.573 -7.617 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -17.013 -2.860 -9.208 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -17.256 -1.208 -9.824 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -15.716 -1.652 -9.051 1.00 0.00 H new ATOM 411 N THR A 27 -15.455 -1.789 -6.266 1.00 0.00 N ATOM 412 CA THR A 27 -14.695 -2.442 -5.167 1.00 0.00 C ATOM 413 C THR A 27 -15.158 -1.877 -3.816 1.00 0.00 C ATOM 414 O THR A 27 -14.654 -2.245 -2.773 1.00 0.00 O ATOM 415 CB THR A 27 -13.235 -2.058 -5.440 1.00 0.00 C ATOM 416 OG1 THR A 27 -13.143 -0.649 -5.614 1.00 0.00 O ATOM 417 CG2 THR A 27 -12.745 -2.767 -6.708 1.00 0.00 C ATOM 0 H THR A 27 -14.945 -1.055 -6.758 1.00 0.00 H new ATOM 0 HA THR A 27 -14.837 -3.522 -5.129 1.00 0.00 H new ATOM 0 HB THR A 27 -12.615 -2.362 -4.597 1.00 0.00 H new ATOM 0 HG1 THR A 27 -12.788 -0.452 -6.506 1.00 0.00 H new ATOM 0 HG21 THR A 27 -11.708 -2.493 -6.900 1.00 0.00 H new ATOM 0 HG22 THR A 27 -12.816 -3.846 -6.572 1.00 0.00 H new ATOM 0 HG23 THR A 27 -13.363 -2.467 -7.555 1.00 0.00 H new ATOM 425 N CYS A 28 -16.111 -0.973 -3.839 1.00 0.00 N ATOM 426 CA CYS A 28 -16.622 -0.352 -2.578 1.00 0.00 C ATOM 427 C CYS A 28 -16.821 -1.393 -1.471 1.00 0.00 C ATOM 428 O CYS A 28 -17.369 -2.455 -1.692 1.00 0.00 O ATOM 429 CB CYS A 28 -17.965 0.274 -2.966 1.00 0.00 C ATOM 430 SG CYS A 28 -19.081 -1.005 -3.601 1.00 0.00 S ATOM 0 H CYS A 28 -16.561 -0.636 -4.690 1.00 0.00 H new ATOM 0 HA CYS A 28 -15.915 0.377 -2.181 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -18.412 0.762 -2.100 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -17.812 1.044 -3.722 1.00 0.00 H new ATOM 0 HG CYS A 28 -18.785 -2.148 -3.058 1.00 0.00 H new ATOM 436 N GLY A 29 -16.390 -1.082 -0.277 1.00 0.00 N ATOM 437 CA GLY A 29 -16.567 -2.041 0.855 1.00 0.00 C ATOM 438 C GLY A 29 -15.226 -2.679 1.240 1.00 0.00 C ATOM 439 O GLY A 29 -15.105 -3.287 2.286 1.00 0.00 O ATOM 0 H GLY A 29 -15.924 -0.207 -0.036 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.989 -1.522 1.716 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.277 -2.818 0.572 1.00 0.00 H new ATOM 443 N ARG A 30 -14.222 -2.555 0.413 1.00 0.00 N ATOM 444 CA ARG A 30 -12.902 -3.165 0.752 1.00 0.00 C ATOM 445 C ARG A 30 -12.080 -2.205 1.614 1.00 0.00 C ATOM 446 O ARG A 30 -12.120 -1.004 1.434 1.00 0.00 O ATOM 447 CB ARG A 30 -12.211 -3.407 -0.592 1.00 0.00 C ATOM 448 CG ARG A 30 -12.979 -4.475 -1.373 1.00 0.00 C ATOM 449 CD ARG A 30 -12.273 -4.742 -2.706 1.00 0.00 C ATOM 450 NE ARG A 30 -13.112 -5.768 -3.385 1.00 0.00 N ATOM 451 CZ ARG A 30 -12.552 -6.814 -3.927 1.00 0.00 C ATOM 452 NH1 ARG A 30 -11.723 -7.544 -3.233 1.00 0.00 N ATOM 453 NH2 ARG A 30 -12.820 -7.128 -5.164 1.00 0.00 N ATOM 0 H ARG A 30 -14.258 -2.060 -0.478 1.00 0.00 H new ATOM 0 HA ARG A 30 -13.012 -4.088 1.321 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -12.171 -2.480 -1.165 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -11.182 -3.728 -0.432 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -13.038 -5.394 -0.790 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -14.002 -4.144 -1.551 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -12.200 -3.833 -3.303 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -11.257 -5.103 -2.549 1.00 0.00 H new ATOM 0 HE ARG A 30 -14.125 -5.653 -3.426 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -11.512 -7.297 -2.266 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -11.285 -8.362 -3.657 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -13.467 -6.556 -5.707 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -12.383 -7.946 -5.589 1.00 0.00 H new ATOM 467 N SER A 31 -11.337 -2.729 2.552 1.00 0.00 N ATOM 468 CA SER A 31 -10.514 -1.849 3.431 1.00 0.00 C ATOM 469 C SER A 31 -9.023 -2.080 3.174 1.00 0.00 C ATOM 470 O SER A 31 -8.446 -3.044 3.636 1.00 0.00 O ATOM 471 CB SER A 31 -10.884 -2.254 4.856 1.00 0.00 C ATOM 472 OG SER A 31 -10.674 -3.650 5.018 1.00 0.00 O ATOM 0 H SER A 31 -11.265 -3.728 2.747 1.00 0.00 H new ATOM 0 HA SER A 31 -10.703 -0.792 3.246 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.279 -1.698 5.573 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.926 -2.006 5.058 1.00 0.00 H new ATOM 0 HG SER A 31 -9.855 -3.914 4.549 1.00 0.00 H new ATOM 478 N ASP A 32 -8.397 -1.196 2.444 1.00 0.00 N ATOM 479 CA ASP A 32 -6.942 -1.355 2.156 1.00 0.00 C ATOM 480 C ASP A 32 -6.131 -0.380 3.011 1.00 0.00 C ATOM 481 O ASP A 32 -6.432 0.795 3.079 1.00 0.00 O ATOM 482 CB ASP A 32 -6.792 -1.026 0.672 1.00 0.00 C ATOM 483 CG ASP A 32 -7.127 -2.264 -0.163 1.00 0.00 C ATOM 484 OD1 ASP A 32 -8.124 -2.901 0.133 1.00 0.00 O ATOM 485 OD2 ASP A 32 -6.380 -2.553 -1.083 1.00 0.00 O ATOM 0 H ASP A 32 -8.831 -0.369 2.034 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.580 -2.357 2.385 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.454 -0.203 0.403 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.774 -0.698 0.463 1.00 0.00 H new ATOM 490 N THR A 33 -5.107 -0.855 3.663 1.00 0.00 N ATOM 491 CA THR A 33 -4.283 0.050 4.514 1.00 0.00 C ATOM 492 C THR A 33 -3.018 0.475 3.767 1.00 0.00 C ATOM 493 O THR A 33 -2.224 -0.348 3.353 1.00 0.00 O ATOM 494 CB THR A 33 -3.929 -0.782 5.748 1.00 0.00 C ATOM 495 OG1 THR A 33 -5.113 -1.351 6.288 1.00 0.00 O ATOM 496 CG2 THR A 33 -3.265 0.112 6.798 1.00 0.00 C ATOM 0 H THR A 33 -4.805 -1.829 3.644 1.00 0.00 H new ATOM 0 HA THR A 33 -4.813 0.965 4.779 1.00 0.00 H new ATOM 0 HB THR A 33 -3.239 -1.577 5.464 1.00 0.00 H new ATOM 0 HG1 THR A 33 -4.888 -1.886 7.078 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.014 -0.483 7.676 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.356 0.548 6.383 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.951 0.909 7.084 1.00 0.00 H new ATOM 504 N TYR A 34 -2.828 1.754 3.589 1.00 0.00 N ATOM 505 CA TYR A 34 -1.616 2.240 2.867 1.00 0.00 C ATOM 506 C TYR A 34 -0.596 2.782 3.869 1.00 0.00 C ATOM 507 O TYR A 34 -0.936 3.145 4.977 1.00 0.00 O ATOM 508 CB TYR A 34 -2.122 3.357 1.957 1.00 0.00 C ATOM 509 CG TYR A 34 -2.947 2.756 0.848 1.00 0.00 C ATOM 510 CD1 TYR A 34 -4.216 2.234 1.125 1.00 0.00 C ATOM 511 CD2 TYR A 34 -2.443 2.715 -0.456 1.00 0.00 C ATOM 512 CE1 TYR A 34 -4.980 1.673 0.098 1.00 0.00 C ATOM 513 CE2 TYR A 34 -3.208 2.154 -1.484 1.00 0.00 C ATOM 514 CZ TYR A 34 -4.476 1.632 -1.208 1.00 0.00 C ATOM 515 OH TYR A 34 -5.231 1.079 -2.222 1.00 0.00 O ATOM 0 H TYR A 34 -3.461 2.485 3.913 1.00 0.00 H new ATOM 0 HA TYR A 34 -1.121 1.450 2.302 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.721 4.066 2.529 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.282 3.913 1.541 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -4.605 2.265 2.132 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -1.463 3.116 -0.669 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -5.959 1.271 0.312 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -2.819 2.124 -2.491 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.735 1.132 -3.065 1.00 0.00 H new ATOM 525 N TYR A 35 0.653 2.836 3.493 1.00 0.00 N ATOM 526 CA TYR A 35 1.690 3.354 4.435 1.00 0.00 C ATOM 527 C TYR A 35 2.702 4.222 3.684 1.00 0.00 C ATOM 528 O TYR A 35 2.907 4.066 2.497 1.00 0.00 O ATOM 529 CB TYR A 35 2.391 2.116 5.014 1.00 0.00 C ATOM 530 CG TYR A 35 1.438 0.943 5.088 1.00 0.00 C ATOM 531 CD1 TYR A 35 1.234 0.134 3.963 1.00 0.00 C ATOM 532 CD2 TYR A 35 0.765 0.661 6.283 1.00 0.00 C ATOM 533 CE1 TYR A 35 0.358 -0.954 4.032 1.00 0.00 C ATOM 534 CE2 TYR A 35 -0.111 -0.429 6.352 1.00 0.00 C ATOM 535 CZ TYR A 35 -0.315 -1.236 5.227 1.00 0.00 C ATOM 536 OH TYR A 35 -1.177 -2.311 5.294 1.00 0.00 O ATOM 0 H TYR A 35 1.001 2.546 2.579 1.00 0.00 H new ATOM 0 HA TYR A 35 1.245 3.969 5.217 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.248 1.855 4.394 1.00 0.00 H new ATOM 0 HB3 TYR A 35 2.774 2.342 6.009 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.754 0.351 3.041 1.00 0.00 H new ATOM 0 HD2 TYR A 35 0.922 1.284 7.151 1.00 0.00 H new ATOM 0 HE1 TYR A 35 0.201 -1.577 3.164 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -0.630 -0.647 7.274 1.00 0.00 H new ATOM 0 HH TYR A 35 -1.399 -2.494 6.231 1.00 0.00 H new ATOM 546 N GLN A 36 3.347 5.126 4.372 1.00 0.00 N ATOM 547 CA GLN A 36 4.360 5.992 3.704 1.00 0.00 C ATOM 548 C GLN A 36 5.744 5.699 4.286 1.00 0.00 C ATOM 549 O GLN A 36 5.875 5.347 5.442 1.00 0.00 O ATOM 550 CB GLN A 36 3.942 7.431 4.016 1.00 0.00 C ATOM 551 CG GLN A 36 4.891 8.405 3.309 1.00 0.00 C ATOM 552 CD GLN A 36 4.427 9.841 3.558 1.00 0.00 C ATOM 553 OE1 GLN A 36 3.670 10.390 2.782 1.00 0.00 O ATOM 554 NE2 GLN A 36 4.852 10.478 4.615 1.00 0.00 N ATOM 0 H GLN A 36 3.216 5.302 5.368 1.00 0.00 H new ATOM 0 HA GLN A 36 4.410 5.817 2.629 1.00 0.00 H new ATOM 0 HB2 GLN A 36 2.917 7.602 3.687 1.00 0.00 H new ATOM 0 HB3 GLN A 36 3.964 7.602 5.092 1.00 0.00 H new ATOM 0 HG2 GLN A 36 5.908 8.271 3.678 1.00 0.00 H new ATOM 0 HG3 GLN A 36 4.910 8.198 2.239 1.00 0.00 H new ATOM 0 HE21 GLN A 36 5.487 10.018 5.267 1.00 0.00 H new ATOM 0 HE22 GLN A 36 4.549 11.436 4.789 1.00 0.00 H new ATOM 563 N SER A 37 6.773 5.837 3.494 1.00 0.00 N ATOM 564 CA SER A 37 8.155 5.562 3.994 1.00 0.00 C ATOM 565 C SER A 37 8.442 6.384 5.255 1.00 0.00 C ATOM 566 O SER A 37 7.567 7.053 5.768 1.00 0.00 O ATOM 567 CB SER A 37 9.075 5.973 2.847 1.00 0.00 C ATOM 568 OG SER A 37 9.665 7.237 3.129 1.00 0.00 O ATOM 0 H SER A 37 6.718 6.129 2.518 1.00 0.00 H new ATOM 0 HA SER A 37 8.297 4.517 4.271 1.00 0.00 H new ATOM 0 HB2 SER A 37 9.853 5.222 2.706 1.00 0.00 H new ATOM 0 HB3 SER A 37 8.510 6.025 1.917 1.00 0.00 H new ATOM 0 HG SER A 37 10.541 7.294 2.693 1.00 0.00 H new ATOM 574 N PRO A 38 9.660 6.305 5.726 1.00 0.00 N ATOM 575 CA PRO A 38 10.033 7.046 6.937 1.00 0.00 C ATOM 576 C PRO A 38 10.352 8.500 6.602 1.00 0.00 C ATOM 577 O PRO A 38 10.331 9.356 7.466 1.00 0.00 O ATOM 578 CB PRO A 38 11.271 6.324 7.442 1.00 0.00 C ATOM 579 CG PRO A 38 11.870 5.674 6.238 1.00 0.00 C ATOM 580 CD PRO A 38 10.788 5.539 5.189 1.00 0.00 C ATOM 0 HA PRO A 38 9.233 7.074 7.677 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.972 7.021 7.902 1.00 0.00 H new ATOM 0 HB3 PRO A 38 11.013 5.585 8.200 1.00 0.00 H new ATOM 0 HG2 PRO A 38 12.698 6.271 5.856 1.00 0.00 H new ATOM 0 HG3 PRO A 38 12.275 4.695 6.496 1.00 0.00 H new ATOM 0 HD2 PRO A 38 11.115 5.935 4.228 1.00 0.00 H new ATOM 0 HD3 PRO A 38 10.519 4.495 5.028 1.00 0.00 H new ATOM 588 N THR A 39 10.661 8.801 5.365 1.00 0.00 N ATOM 589 CA THR A 39 10.989 10.220 5.041 1.00 0.00 C ATOM 590 C THR A 39 10.772 10.565 3.558 1.00 0.00 C ATOM 591 O THR A 39 11.223 11.597 3.101 1.00 0.00 O ATOM 592 CB THR A 39 12.461 10.363 5.426 1.00 0.00 C ATOM 593 OG1 THR A 39 12.872 11.709 5.232 1.00 0.00 O ATOM 594 CG2 THR A 39 13.315 9.433 4.560 1.00 0.00 C ATOM 0 H THR A 39 10.700 8.144 4.585 1.00 0.00 H new ATOM 0 HA THR A 39 10.335 10.907 5.578 1.00 0.00 H new ATOM 0 HB THR A 39 12.589 10.092 6.474 1.00 0.00 H new ATOM 0 HG1 THR A 39 12.428 12.075 4.439 1.00 0.00 H new ATOM 0 HG21 THR A 39 14.364 9.538 4.838 1.00 0.00 H new ATOM 0 HG22 THR A 39 13.000 8.401 4.715 1.00 0.00 H new ATOM 0 HG23 THR A 39 13.190 9.697 3.510 1.00 0.00 H new ATOM 602 N GLY A 40 10.071 9.754 2.801 1.00 0.00 N ATOM 603 CA GLY A 40 9.843 10.131 1.370 1.00 0.00 C ATOM 604 C GLY A 40 9.659 8.906 0.464 1.00 0.00 C ATOM 605 O GLY A 40 10.575 8.475 -0.206 1.00 0.00 O ATOM 0 H GLY A 40 9.657 8.871 3.101 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.960 10.766 1.301 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.688 10.720 1.013 1.00 0.00 H new ATOM 609 N ASP A 41 8.462 8.378 0.413 1.00 0.00 N ATOM 610 CA ASP A 41 8.155 7.208 -0.476 1.00 0.00 C ATOM 611 C ASP A 41 6.772 6.656 -0.122 1.00 0.00 C ATOM 612 O ASP A 41 6.410 6.564 1.035 1.00 0.00 O ATOM 613 CB ASP A 41 9.239 6.153 -0.229 1.00 0.00 C ATOM 614 CG ASP A 41 9.991 5.886 -1.536 1.00 0.00 C ATOM 615 OD1 ASP A 41 10.697 6.773 -1.984 1.00 0.00 O ATOM 616 OD2 ASP A 41 9.843 4.798 -2.070 1.00 0.00 O ATOM 0 H ASP A 41 7.668 8.713 0.959 1.00 0.00 H new ATOM 0 HA ASP A 41 8.146 7.496 -1.527 1.00 0.00 H new ATOM 0 HB2 ASP A 41 9.931 6.499 0.538 1.00 0.00 H new ATOM 0 HB3 ASP A 41 8.789 5.231 0.140 1.00 0.00 H new ATOM 621 N ARG A 42 5.989 6.306 -1.107 1.00 0.00 N ATOM 622 CA ARG A 42 4.621 5.781 -0.822 1.00 0.00 C ATOM 623 C ARG A 42 4.593 4.250 -0.874 1.00 0.00 C ATOM 624 O ARG A 42 4.851 3.647 -1.897 1.00 0.00 O ATOM 625 CB ARG A 42 3.739 6.370 -1.925 1.00 0.00 C ATOM 626 CG ARG A 42 2.940 7.552 -1.370 1.00 0.00 C ATOM 627 CD ARG A 42 3.899 8.668 -0.945 1.00 0.00 C ATOM 628 NE ARG A 42 3.414 9.885 -1.654 1.00 0.00 N ATOM 629 CZ ARG A 42 4.268 10.695 -2.217 1.00 0.00 C ATOM 630 NH1 ARG A 42 5.359 11.033 -1.586 1.00 0.00 N ATOM 631 NH2 ARG A 42 4.031 11.167 -3.411 1.00 0.00 N ATOM 0 H ARG A 42 6.236 6.361 -2.095 1.00 0.00 H new ATOM 0 HA ARG A 42 4.281 6.058 0.176 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.356 6.697 -2.762 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.061 5.607 -2.308 1.00 0.00 H new ATOM 0 HG2 ARG A 42 2.247 7.922 -2.126 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.340 7.230 -0.518 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.886 8.809 0.136 1.00 0.00 H new ATOM 0 HD3 ARG A 42 4.926 8.433 -1.223 1.00 0.00 H new ATOM 0 HE ARG A 42 2.415 10.085 -1.699 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.544 10.664 -0.653 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.027 11.666 -2.026 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.178 10.903 -3.904 1.00 0.00 H new ATOM 0 HH22 ARG A 42 4.699 11.800 -3.851 1.00 0.00 H new ATOM 645 N ILE A 43 4.264 3.625 0.224 1.00 0.00 N ATOM 646 CA ILE A 43 4.193 2.135 0.257 1.00 0.00 C ATOM 647 C ILE A 43 2.725 1.707 0.345 1.00 0.00 C ATOM 648 O ILE A 43 1.901 2.405 0.905 1.00 0.00 O ATOM 649 CB ILE A 43 4.982 1.732 1.514 1.00 0.00 C ATOM 650 CG1 ILE A 43 6.450 1.498 1.144 1.00 0.00 C ATOM 651 CG2 ILE A 43 4.413 0.441 2.114 1.00 0.00 C ATOM 652 CD1 ILE A 43 6.962 2.654 0.284 1.00 0.00 C ATOM 0 H ILE A 43 4.040 4.086 1.106 1.00 0.00 H new ATOM 0 HA ILE A 43 4.607 1.659 -0.631 1.00 0.00 H new ATOM 0 HB ILE A 43 4.901 2.536 2.246 1.00 0.00 H new ATOM 0 HG12 ILE A 43 7.052 1.412 2.048 1.00 0.00 H new ATOM 0 HG13 ILE A 43 6.552 0.558 0.602 1.00 0.00 H new ATOM 0 HG21 ILE A 43 4.983 0.171 3.003 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.369 0.596 2.386 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.482 -0.362 1.380 1.00 0.00 H new ATOM 0 HD11 ILE A 43 8.006 2.480 0.025 1.00 0.00 H new ATOM 0 HD12 ILE A 43 6.368 2.720 -0.628 1.00 0.00 H new ATOM 0 HD13 ILE A 43 6.877 3.587 0.841 1.00 0.00 H new ATOM 664 N ARG A 44 2.387 0.576 -0.212 1.00 0.00 N ATOM 665 CA ARG A 44 0.965 0.125 -0.165 1.00 0.00 C ATOM 666 C ARG A 44 0.865 -1.343 0.262 1.00 0.00 C ATOM 667 O ARG A 44 -0.215 -1.899 0.320 1.00 0.00 O ATOM 668 CB ARG A 44 0.443 0.298 -1.594 1.00 0.00 C ATOM 669 CG ARG A 44 0.793 1.696 -2.113 1.00 0.00 C ATOM 670 CD ARG A 44 0.015 1.970 -3.401 1.00 0.00 C ATOM 671 NE ARG A 44 0.266 3.406 -3.700 1.00 0.00 N ATOM 672 CZ ARG A 44 -0.724 4.187 -4.035 1.00 0.00 C ATOM 673 NH1 ARG A 44 -1.442 4.763 -3.111 1.00 0.00 N ATOM 674 NH2 ARG A 44 -0.995 4.394 -5.295 1.00 0.00 N ATOM 0 H ARG A 44 3.029 -0.053 -0.695 1.00 0.00 H new ATOM 0 HA ARG A 44 0.388 0.699 0.560 1.00 0.00 H new ATOM 0 HB2 ARG A 44 0.880 -0.460 -2.244 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.637 0.153 -1.616 1.00 0.00 H new ATOM 0 HG2 ARG A 44 0.549 2.447 -1.361 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.864 1.769 -2.300 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.359 1.331 -4.214 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.049 1.774 -3.270 1.00 0.00 H new ATOM 0 HE ARG A 44 1.213 3.780 -3.643 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.230 4.603 -2.126 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.216 5.374 -3.373 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.433 3.945 -6.018 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -1.769 5.005 -5.557 1.00 0.00 H new ATOM 688 N SER A 45 1.968 -1.984 0.558 1.00 0.00 N ATOM 689 CA SER A 45 1.890 -3.419 0.972 1.00 0.00 C ATOM 690 C SER A 45 3.215 -3.885 1.590 1.00 0.00 C ATOM 691 O SER A 45 4.065 -3.089 1.934 1.00 0.00 O ATOM 692 CB SER A 45 1.592 -4.179 -0.318 1.00 0.00 C ATOM 693 OG SER A 45 0.205 -4.487 -0.370 1.00 0.00 O ATOM 0 H SER A 45 2.906 -1.584 0.532 1.00 0.00 H new ATOM 0 HA SER A 45 1.128 -3.586 1.733 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.876 -3.578 -1.182 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.182 -5.095 -0.359 1.00 0.00 H new ATOM 0 HG SER A 45 -0.316 -3.692 -0.132 1.00 0.00 H new ATOM 699 N LYS A 46 3.393 -5.176 1.734 1.00 0.00 N ATOM 700 CA LYS A 46 4.658 -5.699 2.331 1.00 0.00 C ATOM 701 C LYS A 46 5.805 -5.509 1.343 1.00 0.00 C ATOM 702 O LYS A 46 6.830 -4.943 1.670 1.00 0.00 O ATOM 703 CB LYS A 46 4.405 -7.189 2.573 1.00 0.00 C ATOM 704 CG LYS A 46 5.664 -7.839 3.152 1.00 0.00 C ATOM 705 CD LYS A 46 5.278 -8.788 4.289 1.00 0.00 C ATOM 706 CE LYS A 46 5.782 -8.219 5.616 1.00 0.00 C ATOM 707 NZ LYS A 46 5.307 -9.178 6.653 1.00 0.00 N ATOM 0 H LYS A 46 2.716 -5.889 1.463 1.00 0.00 H new ATOM 0 HA LYS A 46 4.928 -5.182 3.252 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.568 -7.319 3.260 1.00 0.00 H new ATOM 0 HB3 LYS A 46 4.129 -7.677 1.638 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.194 -8.386 2.372 1.00 0.00 H new ATOM 0 HG3 LYS A 46 6.344 -7.072 3.521 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.196 -8.913 4.322 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.708 -9.775 4.116 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.869 -8.137 5.623 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.386 -7.219 5.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 4.647 -8.695 7.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 4.822 -9.975 6.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 6.120 -9.534 7.195 1.00 0.00 H new ATOM 721 N VAL A 47 5.633 -5.967 0.133 1.00 0.00 N ATOM 722 CA VAL A 47 6.705 -5.805 -0.888 1.00 0.00 C ATOM 723 C VAL A 47 7.125 -4.333 -0.955 1.00 0.00 C ATOM 724 O VAL A 47 8.273 -4.001 -0.742 1.00 0.00 O ATOM 725 CB VAL A 47 6.051 -6.256 -2.192 1.00 0.00 C ATOM 726 CG1 VAL A 47 6.797 -5.680 -3.394 1.00 0.00 C ATOM 727 CG2 VAL A 47 6.066 -7.784 -2.271 1.00 0.00 C ATOM 0 H VAL A 47 4.794 -6.447 -0.192 1.00 0.00 H new ATOM 0 HA VAL A 47 7.606 -6.379 -0.669 1.00 0.00 H new ATOM 0 HB VAL A 47 5.023 -5.894 -2.209 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.316 -6.012 -4.314 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.777 -4.591 -3.347 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.831 -6.025 -3.380 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.599 -8.105 -3.202 1.00 0.00 H new ATOM 0 HG22 VAL A 47 7.096 -8.140 -2.240 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.514 -8.197 -1.427 1.00 0.00 H new ATOM 737 N GLU A 48 6.195 -3.449 -1.231 1.00 0.00 N ATOM 738 CA GLU A 48 6.531 -1.992 -1.292 1.00 0.00 C ATOM 739 C GLU A 48 7.346 -1.600 -0.056 1.00 0.00 C ATOM 740 O GLU A 48 8.370 -0.947 -0.146 1.00 0.00 O ATOM 741 CB GLU A 48 5.181 -1.270 -1.293 1.00 0.00 C ATOM 742 CG GLU A 48 4.963 -0.588 -2.645 1.00 0.00 C ATOM 743 CD GLU A 48 5.895 0.620 -2.765 1.00 0.00 C ATOM 744 OE1 GLU A 48 7.037 0.503 -2.351 1.00 0.00 O ATOM 745 OE2 GLU A 48 5.451 1.638 -3.267 1.00 0.00 O ATOM 0 H GLU A 48 5.218 -3.675 -1.417 1.00 0.00 H new ATOM 0 HA GLU A 48 7.126 -1.737 -2.169 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.377 -1.980 -1.099 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.152 -0.530 -0.493 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.157 -1.292 -3.454 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.925 -0.270 -2.741 1.00 0.00 H new ATOM 752 N LEU A 49 6.898 -2.019 1.095 1.00 0.00 N ATOM 753 CA LEU A 49 7.638 -1.705 2.349 1.00 0.00 C ATOM 754 C LEU A 49 9.010 -2.375 2.298 1.00 0.00 C ATOM 755 O LEU A 49 10.030 -1.767 2.568 1.00 0.00 O ATOM 756 CB LEU A 49 6.771 -2.304 3.461 1.00 0.00 C ATOM 757 CG LEU A 49 7.423 -2.070 4.823 1.00 0.00 C ATOM 758 CD1 LEU A 49 7.565 -0.569 5.071 1.00 0.00 C ATOM 759 CD2 LEU A 49 6.542 -2.683 5.914 1.00 0.00 C ATOM 0 H LEU A 49 6.047 -2.568 1.221 1.00 0.00 H new ATOM 0 HA LEU A 49 7.807 -0.639 2.502 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.779 -1.852 3.442 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.638 -3.373 3.292 1.00 0.00 H new ATOM 0 HG LEU A 49 8.409 -2.535 4.841 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.030 -0.403 6.043 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.186 -0.129 4.291 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.580 -0.103 5.056 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.002 -2.519 6.888 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.558 -2.214 5.894 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.437 -3.754 5.738 1.00 0.00 H new ATOM 771 N THR A 50 9.035 -3.626 1.931 1.00 0.00 N ATOM 772 CA THR A 50 10.323 -4.363 1.832 1.00 0.00 C ATOM 773 C THR A 50 11.238 -3.701 0.790 1.00 0.00 C ATOM 774 O THR A 50 12.424 -3.964 0.740 1.00 0.00 O ATOM 775 CB THR A 50 9.922 -5.775 1.387 1.00 0.00 C ATOM 776 OG1 THR A 50 9.088 -6.357 2.377 1.00 0.00 O ATOM 777 CG2 THR A 50 11.172 -6.638 1.202 1.00 0.00 C ATOM 0 H THR A 50 8.208 -4.174 1.693 1.00 0.00 H new ATOM 0 HA THR A 50 10.877 -4.369 2.771 1.00 0.00 H new ATOM 0 HB THR A 50 9.386 -5.717 0.440 1.00 0.00 H new ATOM 0 HG1 THR A 50 8.172 -6.027 2.268 1.00 0.00 H new ATOM 0 HG21 THR A 50 10.879 -7.639 0.886 1.00 0.00 H new ATOM 0 HG22 THR A 50 11.814 -6.191 0.443 1.00 0.00 H new ATOM 0 HG23 THR A 50 11.715 -6.699 2.145 1.00 0.00 H new ATOM 785 N ARG A 51 10.697 -2.849 -0.047 1.00 0.00 N ATOM 786 CA ARG A 51 11.539 -2.182 -1.085 1.00 0.00 C ATOM 787 C ARG A 51 12.322 -1.013 -0.479 1.00 0.00 C ATOM 788 O ARG A 51 13.537 -1.012 -0.465 1.00 0.00 O ATOM 789 CB ARG A 51 10.557 -1.665 -2.138 1.00 0.00 C ATOM 790 CG ARG A 51 9.725 -2.827 -2.686 1.00 0.00 C ATOM 791 CD ARG A 51 9.863 -2.887 -4.211 1.00 0.00 C ATOM 792 NE ARG A 51 8.473 -3.057 -4.721 1.00 0.00 N ATOM 793 CZ ARG A 51 8.263 -3.219 -6.000 1.00 0.00 C ATOM 794 NH1 ARG A 51 8.684 -2.321 -6.847 1.00 0.00 N ATOM 795 NH2 ARG A 51 7.632 -4.277 -6.428 1.00 0.00 N ATOM 0 H ARG A 51 9.711 -2.588 -0.055 1.00 0.00 H new ATOM 0 HA ARG A 51 12.270 -2.871 -1.508 1.00 0.00 H new ATOM 0 HB2 ARG A 51 9.902 -0.912 -1.699 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.101 -1.181 -2.949 1.00 0.00 H new ATOM 0 HG2 ARG A 51 10.058 -3.766 -2.244 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.678 -2.699 -2.411 1.00 0.00 H new ATOM 0 HD2 ARG A 51 10.318 -1.977 -4.602 1.00 0.00 H new ATOM 0 HD3 ARG A 51 10.499 -3.717 -4.517 1.00 0.00 H new ATOM 0 HE ARG A 51 7.686 -3.047 -4.072 1.00 0.00 H new ATOM 0 HH11 ARG A 51 9.176 -1.494 -6.510 1.00 0.00 H new ATOM 0 HH12 ARG A 51 8.521 -2.446 -7.846 1.00 0.00 H new ATOM 0 HH21 ARG A 51 7.303 -4.978 -5.764 1.00 0.00 H new ATOM 0 HH22 ARG A 51 7.468 -4.404 -7.427 1.00 0.00 H new ATOM 809 N TYR A 52 11.636 -0.011 0.015 1.00 0.00 N ATOM 810 CA TYR A 52 12.351 1.163 0.610 1.00 0.00 C ATOM 811 C TYR A 52 13.352 0.701 1.672 1.00 0.00 C ATOM 812 O TYR A 52 14.351 1.347 1.918 1.00 0.00 O ATOM 813 CB TYR A 52 11.261 2.029 1.250 1.00 0.00 C ATOM 814 CG TYR A 52 11.772 3.444 1.406 1.00 0.00 C ATOM 815 CD1 TYR A 52 11.724 4.328 0.322 1.00 0.00 C ATOM 816 CD2 TYR A 52 12.295 3.875 2.633 1.00 0.00 C ATOM 817 CE1 TYR A 52 12.199 5.638 0.463 1.00 0.00 C ATOM 818 CE2 TYR A 52 12.769 5.184 2.773 1.00 0.00 C ATOM 819 CZ TYR A 52 12.722 6.065 1.688 1.00 0.00 C ATOM 820 OH TYR A 52 13.190 7.356 1.826 1.00 0.00 O ATOM 0 H TYR A 52 10.618 0.046 0.032 1.00 0.00 H new ATOM 0 HA TYR A 52 12.915 1.712 -0.144 1.00 0.00 H new ATOM 0 HB2 TYR A 52 10.364 2.021 0.631 1.00 0.00 H new ATOM 0 HB3 TYR A 52 10.981 1.622 2.222 1.00 0.00 H new ATOM 0 HD1 TYR A 52 11.320 4.000 -0.624 1.00 0.00 H new ATOM 0 HD2 TYR A 52 12.332 3.196 3.472 1.00 0.00 H new ATOM 0 HE1 TYR A 52 12.161 6.319 -0.375 1.00 0.00 H new ATOM 0 HE2 TYR A 52 13.171 5.514 3.719 1.00 0.00 H new ATOM 0 HH TYR A 52 12.692 7.950 1.226 1.00 0.00 H new ATOM 830 N LEU A 53 13.090 -0.411 2.302 1.00 0.00 N ATOM 831 CA LEU A 53 14.026 -0.913 3.350 1.00 0.00 C ATOM 832 C LEU A 53 15.219 -1.637 2.714 1.00 0.00 C ATOM 833 O LEU A 53 16.155 -2.013 3.393 1.00 0.00 O ATOM 834 CB LEU A 53 13.194 -1.879 4.191 1.00 0.00 C ATOM 835 CG LEU A 53 12.034 -1.117 4.834 1.00 0.00 C ATOM 836 CD1 LEU A 53 10.911 -2.095 5.176 1.00 0.00 C ATOM 837 CD2 LEU A 53 12.522 -0.429 6.111 1.00 0.00 C ATOM 0 H LEU A 53 12.269 -0.994 2.137 1.00 0.00 H new ATOM 0 HA LEU A 53 14.442 -0.102 3.948 1.00 0.00 H new ATOM 0 HB2 LEU A 53 12.812 -2.687 3.567 1.00 0.00 H new ATOM 0 HB3 LEU A 53 13.815 -2.337 4.961 1.00 0.00 H new ATOM 0 HG LEU A 53 11.661 -0.366 4.138 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.084 -1.553 5.634 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.564 -2.584 4.266 1.00 0.00 H new ATOM 0 HD13 LEU A 53 11.283 -2.847 5.872 1.00 0.00 H new ATOM 0 HD21 LEU A 53 11.696 0.114 6.570 1.00 0.00 H new ATOM 0 HD22 LEU A 53 12.895 -1.179 6.808 1.00 0.00 H new ATOM 0 HD23 LEU A 53 13.323 0.268 5.865 1.00 0.00 H new ATOM 849 N GLY A 54 15.198 -1.835 1.421 1.00 0.00 N ATOM 850 CA GLY A 54 16.336 -2.531 0.758 1.00 0.00 C ATOM 851 C GLY A 54 15.968 -3.997 0.511 1.00 0.00 C ATOM 852 O GLY A 54 15.111 -4.541 1.178 1.00 0.00 O ATOM 0 H GLY A 54 14.443 -1.545 0.799 1.00 0.00 H new ATOM 0 HA2 GLY A 54 16.575 -2.041 -0.186 1.00 0.00 H new ATOM 0 HA3 GLY A 54 17.227 -2.470 1.383 1.00 0.00 H new ATOM 856 N PRO A 55 16.635 -4.589 -0.444 1.00 0.00 N ATOM 857 CA PRO A 55 16.378 -6.011 -0.784 1.00 0.00 C ATOM 858 C PRO A 55 16.916 -6.929 0.318 1.00 0.00 C ATOM 859 O PRO A 55 16.503 -8.065 0.447 1.00 0.00 O ATOM 860 CB PRO A 55 17.145 -6.213 -2.089 1.00 0.00 C ATOM 861 CG PRO A 55 18.219 -5.173 -2.071 1.00 0.00 C ATOM 862 CD PRO A 55 17.682 -4.002 -1.291 1.00 0.00 C ATOM 0 HA PRO A 55 15.318 -6.245 -0.881 1.00 0.00 H new ATOM 0 HB2 PRO A 55 17.568 -7.216 -2.147 1.00 0.00 H new ATOM 0 HB3 PRO A 55 16.492 -6.091 -2.953 1.00 0.00 H new ATOM 0 HG2 PRO A 55 19.126 -5.562 -1.608 1.00 0.00 H new ATOM 0 HG3 PRO A 55 18.483 -4.873 -3.085 1.00 0.00 H new ATOM 0 HD2 PRO A 55 18.461 -3.530 -0.693 1.00 0.00 H new ATOM 0 HD3 PRO A 55 17.278 -3.234 -1.951 1.00 0.00 H new ATOM 870 N ALA A 56 17.833 -6.445 1.115 1.00 0.00 N ATOM 871 CA ALA A 56 18.394 -7.287 2.210 1.00 0.00 C ATOM 872 C ALA A 56 17.657 -7.005 3.523 1.00 0.00 C ATOM 873 O ALA A 56 18.195 -7.186 4.599 1.00 0.00 O ATOM 874 CB ALA A 56 19.860 -6.866 2.320 1.00 0.00 C ATOM 0 H ALA A 56 18.217 -5.502 1.054 1.00 0.00 H new ATOM 0 HA ALA A 56 18.289 -8.353 2.008 1.00 0.00 H new ATOM 0 HB1 ALA A 56 20.346 -7.442 3.108 1.00 0.00 H new ATOM 0 HB2 ALA A 56 20.364 -7.051 1.371 1.00 0.00 H new ATOM 0 HB3 ALA A 56 19.917 -5.804 2.560 1.00 0.00 H new ATOM 880 N CYS A 57 16.430 -6.562 3.443 1.00 0.00 N ATOM 881 CA CYS A 57 15.657 -6.267 4.686 1.00 0.00 C ATOM 882 C CYS A 57 14.305 -6.984 4.651 1.00 0.00 C ATOM 883 O CYS A 57 13.462 -6.700 3.824 1.00 0.00 O ATOM 884 CB CYS A 57 15.459 -4.751 4.678 1.00 0.00 C ATOM 885 SG CYS A 57 16.884 -3.953 5.458 1.00 0.00 S ATOM 0 H CYS A 57 15.929 -6.392 2.571 1.00 0.00 H new ATOM 0 HA CYS A 57 16.173 -6.607 5.584 1.00 0.00 H new ATOM 0 HB2 CYS A 57 15.344 -4.394 3.655 1.00 0.00 H new ATOM 0 HB3 CYS A 57 14.545 -4.490 5.212 1.00 0.00 H new ATOM 0 HG CYS A 57 17.068 -2.780 4.928 1.00 0.00 H new ATOM 891 N ASP A 58 14.093 -7.912 5.547 1.00 0.00 N ATOM 892 CA ASP A 58 12.796 -8.647 5.570 1.00 0.00 C ATOM 893 C ASP A 58 11.926 -8.147 6.723 1.00 0.00 C ATOM 894 O ASP A 58 12.409 -7.536 7.657 1.00 0.00 O ATOM 895 CB ASP A 58 13.172 -10.112 5.791 1.00 0.00 C ATOM 896 CG ASP A 58 13.189 -10.846 4.450 1.00 0.00 C ATOM 897 OD1 ASP A 58 13.996 -10.486 3.609 1.00 0.00 O ATOM 898 OD2 ASP A 58 12.393 -11.757 4.286 1.00 0.00 O ATOM 0 H ASP A 58 14.763 -8.192 6.264 1.00 0.00 H new ATOM 0 HA ASP A 58 12.227 -8.503 4.651 1.00 0.00 H new ATOM 0 HB2 ASP A 58 14.151 -10.179 6.266 1.00 0.00 H new ATOM 0 HB3 ASP A 58 12.457 -10.583 6.466 1.00 0.00 H new ATOM 903 N LEU A 59 10.647 -8.407 6.671 1.00 0.00 N ATOM 904 CA LEU A 59 9.748 -7.953 7.771 1.00 0.00 C ATOM 905 C LEU A 59 8.802 -9.088 8.172 1.00 0.00 C ATOM 906 O LEU A 59 7.609 -9.026 7.944 1.00 0.00 O ATOM 907 CB LEU A 59 8.954 -6.771 7.198 1.00 0.00 C ATOM 908 CG LEU A 59 9.894 -5.781 6.500 1.00 0.00 C ATOM 909 CD1 LEU A 59 9.075 -4.619 5.940 1.00 0.00 C ATOM 910 CD2 LEU A 59 10.921 -5.243 7.504 1.00 0.00 C ATOM 0 H LEU A 59 10.186 -8.914 5.915 1.00 0.00 H new ATOM 0 HA LEU A 59 10.306 -7.664 8.661 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.209 -7.135 6.491 1.00 0.00 H new ATOM 0 HB3 LEU A 59 8.414 -6.266 7.999 1.00 0.00 H new ATOM 0 HG LEU A 59 10.417 -6.289 5.689 1.00 0.00 H new ATOM 0 HD11 LEU A 59 9.739 -3.912 5.443 1.00 0.00 H new ATOM 0 HD12 LEU A 59 8.347 -4.999 5.223 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.554 -4.116 6.754 1.00 0.00 H new ATOM 0 HD21 LEU A 59 11.586 -4.540 7.003 1.00 0.00 H new ATOM 0 HD22 LEU A 59 10.403 -4.735 8.318 1.00 0.00 H new ATOM 0 HD23 LEU A 59 11.505 -6.071 7.906 1.00 0.00 H new ATOM 922 N THR A 60 9.327 -10.127 8.763 1.00 0.00 N ATOM 923 CA THR A 60 8.463 -11.274 9.174 1.00 0.00 C ATOM 924 C THR A 60 7.574 -10.882 10.361 1.00 0.00 C ATOM 925 O THR A 60 6.634 -11.577 10.694 1.00 0.00 O ATOM 926 CB THR A 60 9.435 -12.389 9.579 1.00 0.00 C ATOM 927 OG1 THR A 60 10.715 -12.140 9.014 1.00 0.00 O ATOM 928 CG2 THR A 60 8.908 -13.732 9.074 1.00 0.00 C ATOM 0 H THR A 60 10.318 -10.232 8.980 1.00 0.00 H new ATOM 0 HA THR A 60 7.796 -11.586 8.370 1.00 0.00 H new ATOM 0 HB THR A 60 9.520 -12.415 10.665 1.00 0.00 H new ATOM 0 HG1 THR A 60 11.333 -12.854 9.277 1.00 0.00 H new ATOM 0 HG21 THR A 60 9.598 -14.525 9.361 1.00 0.00 H new ATOM 0 HG22 THR A 60 7.929 -13.927 9.512 1.00 0.00 H new ATOM 0 HG23 THR A 60 8.820 -13.703 7.988 1.00 0.00 H new ATOM 936 N LEU A 61 7.863 -9.780 11.003 1.00 0.00 N ATOM 937 CA LEU A 61 7.030 -9.354 12.167 1.00 0.00 C ATOM 938 C LEU A 61 6.201 -8.116 11.813 1.00 0.00 C ATOM 939 O LEU A 61 5.694 -7.434 12.682 1.00 0.00 O ATOM 940 CB LEU A 61 8.036 -9.026 13.272 1.00 0.00 C ATOM 941 CG LEU A 61 8.633 -10.323 13.820 1.00 0.00 C ATOM 942 CD1 LEU A 61 9.900 -10.005 14.616 1.00 0.00 C ATOM 943 CD2 LEU A 61 7.616 -11.005 14.738 1.00 0.00 C ATOM 0 H LEU A 61 8.638 -9.158 10.772 1.00 0.00 H new ATOM 0 HA LEU A 61 6.324 -10.127 12.469 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.827 -8.386 12.880 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.545 -8.472 14.073 1.00 0.00 H new ATOM 0 HG LEU A 61 8.879 -10.987 12.991 1.00 0.00 H new ATOM 0 HD11 LEU A 61 10.326 -10.929 15.007 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.626 -9.518 13.965 1.00 0.00 H new ATOM 0 HD13 LEU A 61 9.652 -9.341 15.444 1.00 0.00 H new ATOM 0 HD21 LEU A 61 8.041 -11.929 15.129 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.370 -10.340 15.566 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.711 -11.232 14.174 1.00 0.00 H new ATOM 955 N PHE A 62 6.056 -7.819 10.547 1.00 0.00 N ATOM 956 CA PHE A 62 5.255 -6.623 10.153 1.00 0.00 C ATOM 957 C PHE A 62 3.847 -7.044 9.727 1.00 0.00 C ATOM 958 O PHE A 62 3.664 -7.715 8.729 1.00 0.00 O ATOM 959 CB PHE A 62 6.005 -6.004 8.972 1.00 0.00 C ATOM 960 CG PHE A 62 5.244 -4.796 8.477 1.00 0.00 C ATOM 961 CD1 PHE A 62 5.334 -3.581 9.168 1.00 0.00 C ATOM 962 CD2 PHE A 62 4.445 -4.891 7.332 1.00 0.00 C ATOM 963 CE1 PHE A 62 4.626 -2.463 8.714 1.00 0.00 C ATOM 964 CE2 PHE A 62 3.736 -3.773 6.877 1.00 0.00 C ATOM 965 CZ PHE A 62 3.827 -2.558 7.568 1.00 0.00 C ATOM 0 H PHE A 62 6.456 -8.350 9.773 1.00 0.00 H new ATOM 0 HA PHE A 62 5.143 -5.919 10.977 1.00 0.00 H new ATOM 0 HB2 PHE A 62 7.011 -5.715 9.276 1.00 0.00 H new ATOM 0 HB3 PHE A 62 6.112 -6.735 8.170 1.00 0.00 H new ATOM 0 HD1 PHE A 62 5.950 -3.507 10.052 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.375 -5.828 6.799 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.696 -1.527 9.247 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.119 -3.847 5.994 1.00 0.00 H new ATOM 0 HZ PHE A 62 3.281 -1.695 7.217 1.00 0.00 H new ATOM 975 N ASP A 63 2.851 -6.648 10.471 1.00 0.00 N ATOM 976 CA ASP A 63 1.453 -7.018 10.106 1.00 0.00 C ATOM 977 C ASP A 63 0.892 -6.012 9.095 1.00 0.00 C ATOM 978 O ASP A 63 0.674 -4.859 9.412 1.00 0.00 O ATOM 979 CB ASP A 63 0.669 -6.953 11.417 1.00 0.00 C ATOM 980 CG ASP A 63 0.722 -8.314 12.114 1.00 0.00 C ATOM 981 OD1 ASP A 63 1.773 -8.933 12.082 1.00 0.00 O ATOM 982 OD2 ASP A 63 -0.289 -8.713 12.668 1.00 0.00 O ATOM 0 H ASP A 63 2.944 -6.084 11.316 1.00 0.00 H new ATOM 0 HA ASP A 63 1.392 -8.004 9.645 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.089 -6.184 12.066 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.366 -6.674 11.220 1.00 0.00 H new ATOM 987 N PHE A 64 0.660 -6.440 7.880 1.00 0.00 N ATOM 988 CA PHE A 64 0.115 -5.507 6.845 1.00 0.00 C ATOM 989 C PHE A 64 -1.139 -4.797 7.374 1.00 0.00 C ATOM 990 O PHE A 64 -1.214 -3.584 7.392 1.00 0.00 O ATOM 991 CB PHE A 64 -0.229 -6.402 5.648 1.00 0.00 C ATOM 992 CG PHE A 64 -1.095 -5.646 4.663 1.00 0.00 C ATOM 993 CD1 PHE A 64 -0.503 -4.858 3.668 1.00 0.00 C ATOM 994 CD2 PHE A 64 -2.489 -5.734 4.748 1.00 0.00 C ATOM 995 CE1 PHE A 64 -1.307 -4.158 2.758 1.00 0.00 C ATOM 996 CE2 PHE A 64 -3.292 -5.036 3.839 1.00 0.00 C ATOM 997 CZ PHE A 64 -2.701 -4.248 2.844 1.00 0.00 C ATOM 0 H PHE A 64 0.824 -7.394 7.559 1.00 0.00 H new ATOM 0 HA PHE A 64 0.826 -4.725 6.576 1.00 0.00 H new ATOM 0 HB2 PHE A 64 0.686 -6.735 5.158 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -0.750 -7.296 5.991 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.573 -4.790 3.602 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -2.946 -6.341 5.516 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -0.851 -3.550 1.991 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -4.368 -5.105 3.905 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.321 -3.709 2.143 1.00 0.00 H new ATOM 1007 N LYS A 65 -2.123 -5.542 7.800 1.00 0.00 N ATOM 1008 CA LYS A 65 -3.370 -4.909 8.322 1.00 0.00 C ATOM 1009 C LYS A 65 -3.142 -4.355 9.734 1.00 0.00 C ATOM 1010 O LYS A 65 -3.836 -4.709 10.666 1.00 0.00 O ATOM 1011 CB LYS A 65 -4.404 -6.035 8.348 1.00 0.00 C ATOM 1012 CG LYS A 65 -5.794 -5.458 8.076 1.00 0.00 C ATOM 1013 CD LYS A 65 -5.939 -5.154 6.583 1.00 0.00 C ATOM 1014 CE LYS A 65 -7.423 -5.138 6.202 1.00 0.00 C ATOM 1015 NZ LYS A 65 -7.551 -6.141 5.108 1.00 0.00 N ATOM 0 H LYS A 65 -2.118 -6.562 7.809 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.693 -4.070 7.705 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.158 -6.787 7.598 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.389 -6.534 9.317 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.561 -6.166 8.390 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.942 -4.549 8.659 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.484 -4.191 6.352 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.411 -5.905 5.996 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.052 -5.400 7.053 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.734 -4.148 5.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.541 -6.187 4.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -6.947 -5.862 4.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -7.255 -7.075 5.457 1.00 0.00 H new ATOM 1029 N GLN A 66 -2.178 -3.484 9.895 1.00 0.00 N ATOM 1030 CA GLN A 66 -1.906 -2.902 11.244 1.00 0.00 C ATOM 1031 C GLN A 66 -0.789 -1.857 11.152 1.00 0.00 C ATOM 1032 O GLN A 66 -0.960 -0.719 11.544 1.00 0.00 O ATOM 1033 CB GLN A 66 -1.466 -4.082 12.117 1.00 0.00 C ATOM 1034 CG GLN A 66 -2.596 -4.454 13.083 1.00 0.00 C ATOM 1035 CD GLN A 66 -2.008 -4.784 14.457 1.00 0.00 C ATOM 1036 OE1 GLN A 66 -1.668 -3.898 15.215 1.00 0.00 O ATOM 1037 NE2 GLN A 66 -1.875 -6.033 14.814 1.00 0.00 N ATOM 0 H GLN A 66 -1.567 -3.151 9.149 1.00 0.00 H new ATOM 0 HA GLN A 66 -2.781 -2.401 11.657 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -1.213 -4.937 11.490 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.568 -3.819 12.676 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -3.303 -3.628 13.167 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -3.150 -5.310 12.698 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -2.160 -6.778 14.179 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -1.486 -6.263 15.728 1.00 0.00 H new ATOM 1046 N GLY A 67 0.354 -2.233 10.637 1.00 0.00 N ATOM 1047 CA GLY A 67 1.477 -1.260 10.519 1.00 0.00 C ATOM 1048 C GLY A 67 2.239 -1.191 11.845 1.00 0.00 C ATOM 1049 O GLY A 67 2.456 -0.126 12.391 1.00 0.00 O ATOM 0 H GLY A 67 0.556 -3.172 10.294 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.150 -1.562 9.717 1.00 0.00 H new ATOM 0 HA3 GLY A 67 1.092 -0.274 10.258 1.00 0.00 H new ATOM 1053 N ILE A 68 2.648 -2.316 12.365 1.00 0.00 N ATOM 1054 CA ILE A 68 3.401 -2.316 13.657 1.00 0.00 C ATOM 1055 C ILE A 68 4.205 -3.605 13.807 1.00 0.00 C ATOM 1056 O ILE A 68 3.868 -4.631 13.250 1.00 0.00 O ATOM 1057 CB ILE A 68 2.349 -2.221 14.772 1.00 0.00 C ATOM 1058 CG1 ILE A 68 1.052 -2.930 14.357 1.00 0.00 C ATOM 1059 CG2 ILE A 68 2.049 -0.751 15.066 1.00 0.00 C ATOM 1060 CD1 ILE A 68 1.331 -4.417 14.133 1.00 0.00 C ATOM 0 H ILE A 68 2.495 -3.236 11.953 1.00 0.00 H new ATOM 0 HA ILE A 68 4.104 -1.484 13.699 1.00 0.00 H new ATOM 0 HB ILE A 68 2.744 -2.707 15.664 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.293 -2.804 15.129 1.00 0.00 H new ATOM 0 HG13 ILE A 68 0.656 -2.482 13.445 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.302 -0.683 15.857 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.963 -0.250 15.385 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.668 -0.270 14.165 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.410 -4.920 13.838 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.075 -4.533 13.345 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.707 -4.860 15.055 1.00 0.00 H new ATOM 1072 N LEU A 69 5.265 -3.559 14.566 1.00 0.00 N ATOM 1073 CA LEU A 69 6.091 -4.780 14.770 1.00 0.00 C ATOM 1074 C LEU A 69 5.642 -5.489 16.049 1.00 0.00 C ATOM 1075 O LEU A 69 6.194 -5.279 17.111 1.00 0.00 O ATOM 1076 CB LEU A 69 7.528 -4.271 14.912 1.00 0.00 C ATOM 1077 CG LEU A 69 8.277 -4.443 13.588 1.00 0.00 C ATOM 1078 CD1 LEU A 69 9.700 -3.902 13.735 1.00 0.00 C ATOM 1079 CD2 LEU A 69 8.336 -5.925 13.216 1.00 0.00 C ATOM 0 H LEU A 69 5.595 -2.726 15.054 1.00 0.00 H new ATOM 0 HA LEU A 69 5.998 -5.493 13.951 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.523 -3.221 15.203 1.00 0.00 H new ATOM 0 HB3 LEU A 69 8.040 -4.819 15.703 1.00 0.00 H new ATOM 0 HG LEU A 69 7.754 -3.894 12.805 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.235 -4.024 12.793 1.00 0.00 H new ATOM 0 HD12 LEU A 69 9.662 -2.845 13.997 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.219 -4.452 14.520 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.870 -6.042 12.273 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.857 -6.476 13.999 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.323 -6.314 13.110 1.00 0.00 H new