USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 421 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 33 HIS : no HE2:sc= 0.93 K(o=1.9,f=-3) USER MOD Set 1.2: A 49 SER OG : rot 140:sc= 0.954 USER MOD Single : A 1 MET CE :methyl -158:sc= -0.0968 (180deg=-0.666) USER MOD Single : A 1 MET N :NH3+ -166:sc= 1.2 (180deg=1.14) USER MOD Single : A 4 LYS NZ :NH3+ 157:sc= -0.0839 (180deg=-0.5) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0738 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot -92:sc= 0.603 USER MOD Single : A 25 LYS NZ :NH3+ 170:sc= 0.0541 (180deg=-0.26) USER MOD Single : A 26 THR OG1 : rot -67:sc= 1.21 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0573 USER MOD Single : A 32 MET CE :methyl -153:sc= -1.64 (180deg=-2.32!) USER MOD Single : A 34 GLN : amide:sc= 0.243 K(o=0.24,f=-0.47) USER MOD Single : A 37 CYS SG : rot -26:sc= 0.00725 USER MOD Single : A 47 GLN : amide:sc= -0.117 K(o=-0.12,f=-0.69) USER MOD Single : A 50 ASN : amide:sc=-0.00203 K(o=-0.002,f=-0.76) USER MOD Single : A 52 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.0551) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.480 10.428 11.576 1.00 0.00 N ATOM 2 CA MET A 1 -7.074 10.303 12.028 1.00 0.00 C ATOM 3 C MET A 1 -6.650 8.843 12.097 1.00 0.00 C ATOM 4 O MET A 1 -6.742 8.208 13.149 1.00 0.00 O ATOM 5 CB MET A 1 -6.885 10.963 13.400 1.00 0.00 C ATOM 6 CG MET A 1 -6.913 12.480 13.358 1.00 0.00 C ATOM 7 SD MET A 1 -5.520 13.174 12.441 1.00 0.00 S ATOM 8 CE MET A 1 -4.145 12.648 13.465 1.00 0.00 C ATOM 0 H1 MET A 1 -8.673 11.415 11.310 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.636 9.811 10.754 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.119 10.146 12.347 1.00 0.00 H new ATOM 0 HA MET A 1 -6.446 10.814 11.299 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.668 10.613 14.072 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.934 10.638 13.822 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.845 12.810 12.900 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.903 12.868 14.376 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.286 13.293 13.280 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.428 12.713 14.516 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.884 11.618 13.223 1.00 0.00 H new ATOM 18 N GLY A 2 -6.183 8.312 10.978 1.00 0.00 N ATOM 19 CA GLY A 2 -5.689 6.954 10.957 1.00 0.00 C ATOM 20 C GLY A 2 -4.273 6.902 10.438 1.00 0.00 C ATOM 21 O GLY A 2 -3.485 7.815 10.693 1.00 0.00 O ATOM 0 H GLY A 2 -6.138 8.799 10.083 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -5.728 6.534 11.962 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -6.333 6.338 10.329 1.00 0.00 H new ATOM 25 N LEU A 3 -3.946 5.844 9.714 1.00 0.00 N ATOM 26 CA LEU A 3 -2.658 5.752 9.045 1.00 0.00 C ATOM 27 C LEU A 3 -2.517 6.893 8.047 1.00 0.00 C ATOM 28 O LEU A 3 -3.466 7.209 7.325 1.00 0.00 O ATOM 29 CB LEU A 3 -2.531 4.415 8.309 1.00 0.00 C ATOM 30 CG LEU A 3 -2.588 3.165 9.187 1.00 0.00 C ATOM 31 CD1 LEU A 3 -2.581 1.912 8.324 1.00 0.00 C ATOM 32 CD2 LEU A 3 -1.425 3.147 10.165 1.00 0.00 C ATOM 0 H LEU A 3 -4.554 5.037 9.574 1.00 0.00 H new ATOM 0 HA LEU A 3 -1.870 5.819 9.795 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -3.328 4.352 7.568 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -1.587 4.410 7.763 1.00 0.00 H new ATOM 0 HG LEU A 3 -3.515 3.185 9.759 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.622 1.030 8.963 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -3.447 1.921 7.662 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -1.669 1.886 7.728 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -1.482 2.250 10.782 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.485 3.149 9.613 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.472 4.030 10.803 1.00 0.00 H new ATOM 43 N LYS A 4 -1.354 7.527 8.029 1.00 0.00 N ATOM 44 CA LYS A 4 -1.085 8.593 7.079 1.00 0.00 C ATOM 45 C LYS A 4 -0.275 8.047 5.912 1.00 0.00 C ATOM 46 O LYS A 4 0.336 6.983 6.019 1.00 0.00 O ATOM 47 CB LYS A 4 -0.325 9.743 7.750 1.00 0.00 C ATOM 48 CG LYS A 4 -1.042 10.363 8.946 1.00 0.00 C ATOM 49 CD LYS A 4 -2.469 10.758 8.605 1.00 0.00 C ATOM 50 CE LYS A 4 -3.040 11.754 9.600 1.00 0.00 C ATOM 51 NZ LYS A 4 -2.308 13.048 9.567 1.00 0.00 N ATOM 0 H LYS A 4 -0.582 7.321 8.663 1.00 0.00 H new ATOM 0 HA LYS A 4 -2.036 8.979 6.713 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.649 9.377 8.076 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -0.141 10.521 7.009 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -1.049 9.654 9.773 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.492 11.242 9.284 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -2.496 11.190 7.605 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -3.096 9.867 8.584 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -4.093 11.926 9.378 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -2.990 11.334 10.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -2.921 13.803 9.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -1.453 12.978 10.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -2.038 13.269 8.587 1.00 0.00 H new ATOM 61 N TRP A 5 -0.263 8.776 4.801 1.00 0.00 N ATOM 62 CA TRP A 5 0.469 8.352 3.609 1.00 0.00 C ATOM 63 C TRP A 5 1.969 8.250 3.871 1.00 0.00 C ATOM 64 O TRP A 5 2.691 7.589 3.130 1.00 0.00 O ATOM 65 CB TRP A 5 0.228 9.317 2.449 1.00 0.00 C ATOM 66 CG TRP A 5 -1.126 9.200 1.824 1.00 0.00 C ATOM 67 CD1 TRP A 5 -2.077 10.170 1.756 1.00 0.00 C ATOM 68 CD2 TRP A 5 -1.673 8.050 1.162 1.00 0.00 C ATOM 69 NE1 TRP A 5 -3.180 9.698 1.095 1.00 0.00 N ATOM 70 CE2 TRP A 5 -2.958 8.403 0.719 1.00 0.00 C ATOM 71 CE3 TRP A 5 -1.203 6.759 0.899 1.00 0.00 C ATOM 72 CZ2 TRP A 5 -3.780 7.516 0.027 1.00 0.00 C ATOM 73 CZ3 TRP A 5 -2.018 5.880 0.212 1.00 0.00 C ATOM 74 CH2 TRP A 5 -3.294 6.261 -0.217 1.00 0.00 C ATOM 0 H TRP A 5 -0.752 9.665 4.699 1.00 0.00 H new ATOM 0 HA TRP A 5 0.094 7.363 3.345 1.00 0.00 H new ATOM 0 HB2 TRP A 5 0.364 10.338 2.806 1.00 0.00 H new ATOM 0 HB3 TRP A 5 0.985 9.144 1.684 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -1.977 11.165 2.163 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -4.032 10.229 0.912 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -0.220 6.455 1.227 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -4.765 7.809 -0.305 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -1.664 4.881 0.002 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -3.907 5.550 -0.751 1.00 0.00 H new ATOM 84 N THR A 6 2.432 8.906 4.924 1.00 0.00 N ATOM 85 CA THR A 6 3.844 8.904 5.266 1.00 0.00 C ATOM 86 C THR A 6 4.225 7.673 6.081 1.00 0.00 C ATOM 87 O THR A 6 5.408 7.383 6.276 1.00 0.00 O ATOM 88 CB THR A 6 4.205 10.180 6.039 1.00 0.00 C ATOM 89 OG1 THR A 6 3.097 10.573 6.865 1.00 0.00 O ATOM 90 CG2 THR A 6 4.563 11.303 5.078 1.00 0.00 C ATOM 0 H THR A 6 1.846 9.449 5.559 1.00 0.00 H new ATOM 0 HA THR A 6 4.409 8.875 4.334 1.00 0.00 H new ATOM 0 HB THR A 6 5.071 9.977 6.669 1.00 0.00 H new ATOM 0 HG1 THR A 6 3.330 11.387 7.359 1.00 0.00 H new ATOM 0 HG21 THR A 6 4.816 12.199 5.644 1.00 0.00 H new ATOM 0 HG22 THR A 6 5.417 11.004 4.471 1.00 0.00 H new ATOM 0 HG23 THR A 6 3.712 11.512 4.429 1.00 0.00 H new ATOM 98 N ASP A 7 3.225 6.929 6.536 1.00 0.00 N ATOM 99 CA ASP A 7 3.467 5.714 7.303 1.00 0.00 C ATOM 100 C ASP A 7 3.568 4.522 6.360 1.00 0.00 C ATOM 101 O ASP A 7 2.908 3.501 6.550 1.00 0.00 O ATOM 102 CB ASP A 7 2.349 5.487 8.326 1.00 0.00 C ATOM 103 CG ASP A 7 2.218 6.628 9.317 1.00 0.00 C ATOM 104 OD1 ASP A 7 3.202 6.928 10.022 1.00 0.00 O ATOM 105 OD2 ASP A 7 1.122 7.223 9.406 1.00 0.00 O ATOM 0 H ASP A 7 2.239 7.145 6.387 1.00 0.00 H new ATOM 0 HA ASP A 7 4.407 5.824 7.844 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.403 5.358 7.801 1.00 0.00 H new ATOM 0 HB3 ASP A 7 2.541 4.561 8.868 1.00 0.00 H new ATOM 109 N SER A 8 4.413 4.668 5.342 1.00 0.00 N ATOM 110 CA SER A 8 4.529 3.684 4.273 1.00 0.00 C ATOM 111 C SER A 8 4.880 2.292 4.793 1.00 0.00 C ATOM 112 O SER A 8 4.370 1.296 4.287 1.00 0.00 O ATOM 113 CB SER A 8 5.573 4.145 3.256 1.00 0.00 C ATOM 114 OG SER A 8 6.793 4.485 3.893 1.00 0.00 O ATOM 0 H SER A 8 5.034 5.470 5.237 1.00 0.00 H new ATOM 0 HA SER A 8 3.553 3.608 3.794 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.748 3.354 2.527 1.00 0.00 H new ATOM 0 HB3 SER A 8 5.194 5.007 2.707 1.00 0.00 H new ATOM 0 HG SER A 8 7.444 4.775 3.220 1.00 0.00 H new ATOM 119 N ARG A 9 5.727 2.225 5.816 1.00 0.00 N ATOM 120 CA ARG A 9 6.175 0.943 6.349 1.00 0.00 C ATOM 121 C ARG A 9 4.992 0.166 6.911 1.00 0.00 C ATOM 122 O ARG A 9 4.773 -0.993 6.559 1.00 0.00 O ATOM 123 CB ARG A 9 7.234 1.148 7.437 1.00 0.00 C ATOM 124 CG ARG A 9 7.804 -0.156 7.980 1.00 0.00 C ATOM 125 CD ARG A 9 8.815 0.085 9.088 1.00 0.00 C ATOM 126 NE ARG A 9 8.199 0.642 10.294 1.00 0.00 N ATOM 127 CZ ARG A 9 8.844 0.823 11.447 1.00 0.00 C ATOM 128 NH1 ARG A 9 10.140 0.551 11.549 1.00 0.00 N ATOM 129 NH2 ARG A 9 8.199 1.304 12.499 1.00 0.00 N ATOM 0 H ARG A 9 6.115 3.040 6.291 1.00 0.00 H new ATOM 0 HA ARG A 9 6.622 0.371 5.536 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.047 1.751 7.033 1.00 0.00 H new ATOM 0 HB3 ARG A 9 6.795 1.714 8.259 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.992 -0.777 8.358 1.00 0.00 H new ATOM 0 HG3 ARG A 9 8.278 -0.710 7.170 1.00 0.00 H new ATOM 0 HD2 ARG A 9 9.309 -0.854 9.336 1.00 0.00 H new ATOM 0 HD3 ARG A 9 9.587 0.766 8.730 1.00 0.00 H new ATOM 0 HE ARG A 9 7.215 0.908 10.249 1.00 0.00 H new ATOM 0 HH11 ARG A 9 10.653 0.200 10.740 1.00 0.00 H new ATOM 0 HH12 ARG A 9 10.623 0.693 12.436 1.00 0.00 H new ATOM 0 HH21 ARG A 9 7.208 1.536 12.428 1.00 0.00 H new ATOM 0 HH22 ARG A 9 8.693 1.442 13.381 1.00 0.00 H new ATOM 140 N GLU A 10 4.215 0.832 7.752 1.00 0.00 N ATOM 141 CA GLU A 10 3.051 0.219 8.374 1.00 0.00 C ATOM 142 C GLU A 10 2.004 -0.132 7.323 1.00 0.00 C ATOM 143 O GLU A 10 1.308 -1.139 7.434 1.00 0.00 O ATOM 144 CB GLU A 10 2.443 1.152 9.429 1.00 0.00 C ATOM 145 CG GLU A 10 3.320 1.371 10.657 1.00 0.00 C ATOM 146 CD GLU A 10 4.620 2.091 10.353 1.00 0.00 C ATOM 147 OE1 GLU A 10 4.592 3.099 9.616 1.00 0.00 O ATOM 148 OE2 GLU A 10 5.678 1.659 10.853 1.00 0.00 O ATOM 0 H GLU A 10 4.371 1.803 8.021 1.00 0.00 H new ATOM 0 HA GLU A 10 3.376 -0.698 8.866 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.238 2.118 8.967 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.485 0.742 9.750 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.760 1.945 11.395 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.546 0.405 11.109 1.00 0.00 H new ATOM 153 N ILE A 11 1.912 0.701 6.292 1.00 0.00 N ATOM 154 CA ILE A 11 0.978 0.461 5.203 1.00 0.00 C ATOM 155 C ILE A 11 1.421 -0.746 4.378 1.00 0.00 C ATOM 156 O ILE A 11 0.605 -1.582 3.986 1.00 0.00 O ATOM 157 CB ILE A 11 0.845 1.698 4.290 1.00 0.00 C ATOM 158 CG1 ILE A 11 0.250 2.877 5.068 1.00 0.00 C ATOM 159 CG2 ILE A 11 -0.016 1.375 3.082 1.00 0.00 C ATOM 160 CD1 ILE A 11 0.165 4.160 4.266 1.00 0.00 C ATOM 0 H ILE A 11 2.473 1.547 6.189 1.00 0.00 H new ATOM 0 HA ILE A 11 0.003 0.257 5.645 1.00 0.00 H new ATOM 0 HB ILE A 11 1.839 1.978 3.943 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.749 2.607 5.410 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.854 3.055 5.957 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.100 2.258 2.448 1.00 0.00 H new ATOM 0 HG22 ILE A 11 0.442 0.564 2.516 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.009 1.071 3.414 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.266 4.948 4.884 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.164 4.456 3.946 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.464 4.001 3.390 1.00 0.00 H new ATOM 171 N GLY A 12 2.721 -0.840 4.136 1.00 0.00 N ATOM 172 CA GLY A 12 3.267 -1.971 3.418 1.00 0.00 C ATOM 173 C GLY A 12 3.040 -3.269 4.157 1.00 0.00 C ATOM 174 O GLY A 12 2.656 -4.274 3.557 1.00 0.00 O ATOM 0 H GLY A 12 3.411 -0.147 4.427 1.00 0.00 H new ATOM 0 HA2 GLY A 12 2.809 -2.030 2.431 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.336 -1.822 3.265 1.00 0.00 H new ATOM 178 N GLU A 13 3.262 -3.240 5.465 1.00 0.00 N ATOM 179 CA GLU A 13 3.007 -4.398 6.308 1.00 0.00 C ATOM 180 C GLU A 13 1.532 -4.770 6.267 1.00 0.00 C ATOM 181 O GLU A 13 1.182 -5.947 6.247 1.00 0.00 O ATOM 182 CB GLU A 13 3.439 -4.121 7.748 1.00 0.00 C ATOM 183 CG GLU A 13 4.942 -3.969 7.913 1.00 0.00 C ATOM 184 CD GLU A 13 5.353 -3.768 9.355 1.00 0.00 C ATOM 185 OE1 GLU A 13 5.105 -4.673 10.178 1.00 0.00 O ATOM 186 OE2 GLU A 13 5.928 -2.711 9.671 1.00 0.00 O ATOM 0 H GLU A 13 3.619 -2.425 5.964 1.00 0.00 H new ATOM 0 HA GLU A 13 3.591 -5.235 5.925 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.950 -3.212 8.097 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.092 -4.934 8.386 1.00 0.00 H new ATOM 0 HG2 GLU A 13 5.438 -4.855 7.518 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.285 -3.121 7.320 1.00 0.00 H new ATOM 191 N ALA A 14 0.670 -3.759 6.242 1.00 0.00 N ATOM 192 CA ALA A 14 -0.768 -3.978 6.142 1.00 0.00 C ATOM 193 C ALA A 14 -1.113 -4.730 4.863 1.00 0.00 C ATOM 194 O ALA A 14 -1.808 -5.746 4.896 1.00 0.00 O ATOM 195 CB ALA A 14 -1.519 -2.657 6.183 1.00 0.00 C ATOM 0 H ALA A 14 0.943 -2.777 6.290 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.073 -4.582 6.997 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.590 -2.845 6.107 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.306 -2.146 7.122 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.200 -2.031 5.349 1.00 0.00 H new ATOM 201 N LEU A 15 -0.607 -4.231 3.738 1.00 0.00 N ATOM 202 CA LEU A 15 -0.901 -4.828 2.440 1.00 0.00 C ATOM 203 C LEU A 15 -0.294 -6.227 2.329 1.00 0.00 C ATOM 204 O LEU A 15 -0.933 -7.142 1.819 1.00 0.00 O ATOM 205 CB LEU A 15 -0.393 -3.935 1.298 1.00 0.00 C ATOM 206 CG LEU A 15 -0.969 -2.509 1.259 1.00 0.00 C ATOM 207 CD1 LEU A 15 -0.614 -1.821 -0.046 1.00 0.00 C ATOM 208 CD2 LEU A 15 -2.477 -2.527 1.466 1.00 0.00 C ATOM 0 H LEU A 15 0.007 -3.417 3.700 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.984 -4.916 2.354 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.692 -3.867 1.370 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.619 -4.424 0.351 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.522 -1.942 2.076 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.031 -0.814 -0.052 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.470 -1.765 -0.145 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.025 -2.389 -0.880 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.861 -1.507 1.434 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.946 -3.116 0.677 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.706 -2.971 2.435 1.00 0.00 H new ATOM 219 N TYR A 16 0.927 -6.390 2.826 1.00 0.00 N ATOM 220 CA TYR A 16 1.611 -7.684 2.796 1.00 0.00 C ATOM 221 C TYR A 16 0.907 -8.698 3.700 1.00 0.00 C ATOM 222 O TYR A 16 0.883 -9.895 3.413 1.00 0.00 O ATOM 223 CB TYR A 16 3.072 -7.506 3.225 1.00 0.00 C ATOM 224 CG TYR A 16 3.875 -8.790 3.279 1.00 0.00 C ATOM 225 CD1 TYR A 16 4.123 -9.531 2.130 1.00 0.00 C ATOM 226 CD2 TYR A 16 4.399 -9.249 4.482 1.00 0.00 C ATOM 227 CE1 TYR A 16 4.868 -10.696 2.181 1.00 0.00 C ATOM 228 CE2 TYR A 16 5.143 -10.412 4.538 1.00 0.00 C ATOM 229 CZ TYR A 16 5.374 -11.132 3.387 1.00 0.00 C ATOM 230 OH TYR A 16 6.120 -12.289 3.441 1.00 0.00 O ATOM 0 H TYR A 16 1.468 -5.640 3.257 1.00 0.00 H new ATOM 0 HA TYR A 16 1.582 -8.070 1.777 1.00 0.00 H new ATOM 0 HB2 TYR A 16 3.558 -6.818 2.534 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.093 -7.038 4.209 1.00 0.00 H new ATOM 0 HD1 TYR A 16 3.729 -9.193 1.183 1.00 0.00 H new ATOM 0 HD2 TYR A 16 4.222 -8.688 5.387 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.052 -11.261 1.280 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.542 -10.755 5.481 1.00 0.00 H new ATOM 0 HH TYR A 16 6.402 -12.454 4.365 1.00 0.00 H new ATOM 239 N ASP A 17 0.334 -8.206 4.788 1.00 0.00 N ATOM 240 CA ASP A 17 -0.397 -9.047 5.731 1.00 0.00 C ATOM 241 C ASP A 17 -1.737 -9.480 5.149 1.00 0.00 C ATOM 242 O ASP A 17 -2.110 -10.651 5.223 1.00 0.00 O ATOM 243 CB ASP A 17 -0.620 -8.283 7.042 1.00 0.00 C ATOM 244 CG ASP A 17 -1.549 -8.996 8.007 1.00 0.00 C ATOM 245 OD1 ASP A 17 -2.776 -8.783 7.921 1.00 0.00 O ATOM 246 OD2 ASP A 17 -1.057 -9.746 8.876 1.00 0.00 O ATOM 0 H ASP A 17 0.361 -7.219 5.044 1.00 0.00 H new ATOM 0 HA ASP A 17 0.196 -9.941 5.927 1.00 0.00 H new ATOM 0 HB2 ASP A 17 0.342 -8.122 7.528 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -1.030 -7.299 6.815 1.00 0.00 H new ATOM 250 N ALA A 18 -2.455 -8.529 4.562 1.00 0.00 N ATOM 251 CA ALA A 18 -3.791 -8.793 4.040 1.00 0.00 C ATOM 252 C ALA A 18 -3.742 -9.496 2.688 1.00 0.00 C ATOM 253 O ALA A 18 -4.628 -10.283 2.357 1.00 0.00 O ATOM 254 CB ALA A 18 -4.581 -7.498 3.937 1.00 0.00 C ATOM 0 H ALA A 18 -2.135 -7.569 4.436 1.00 0.00 H new ATOM 0 HA ALA A 18 -4.293 -9.462 4.739 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.576 -7.709 3.546 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.668 -7.045 4.925 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.066 -6.810 3.266 1.00 0.00 H new ATOM 260 N TYR A 19 -2.711 -9.209 1.906 1.00 0.00 N ATOM 261 CA TYR A 19 -2.575 -9.796 0.577 1.00 0.00 C ATOM 262 C TYR A 19 -1.189 -10.418 0.391 1.00 0.00 C ATOM 263 O TYR A 19 -0.381 -9.928 -0.396 1.00 0.00 O ATOM 264 CB TYR A 19 -2.829 -8.733 -0.498 1.00 0.00 C ATOM 265 CG TYR A 19 -4.171 -8.042 -0.366 1.00 0.00 C ATOM 266 CD1 TYR A 19 -5.335 -8.640 -0.839 1.00 0.00 C ATOM 267 CD2 TYR A 19 -4.274 -6.795 0.239 1.00 0.00 C ATOM 268 CE1 TYR A 19 -6.560 -8.012 -0.712 1.00 0.00 C ATOM 269 CE2 TYR A 19 -5.496 -6.164 0.370 1.00 0.00 C ATOM 270 CZ TYR A 19 -6.635 -6.776 -0.107 1.00 0.00 C ATOM 271 OH TYR A 19 -7.855 -6.152 0.023 1.00 0.00 O ATOM 0 H TYR A 19 -1.956 -8.574 2.167 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.318 -10.587 0.476 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -2.038 -7.984 -0.450 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.766 -9.200 -1.481 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.281 -9.609 -1.312 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.384 -6.311 0.613 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -7.455 -8.488 -1.085 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.558 -5.196 0.844 1.00 0.00 H new ATOM 0 HH TYR A 19 -8.005 -5.564 -0.747 1.00 0.00 H new ATOM 280 N PRO A 20 -0.901 -11.524 1.099 1.00 0.00 N ATOM 281 CA PRO A 20 0.399 -12.192 1.020 1.00 0.00 C ATOM 282 C PRO A 20 0.544 -13.036 -0.246 1.00 0.00 C ATOM 283 O PRO A 20 1.638 -13.499 -0.579 1.00 0.00 O ATOM 284 CB PRO A 20 0.405 -13.085 2.259 1.00 0.00 C ATOM 285 CG PRO A 20 -1.028 -13.411 2.494 1.00 0.00 C ATOM 286 CD PRO A 20 -1.817 -12.215 2.031 1.00 0.00 C ATOM 0 HA PRO A 20 1.224 -11.481 0.981 1.00 0.00 H new ATOM 0 HB2 PRO A 20 0.995 -13.987 2.095 1.00 0.00 H new ATOM 0 HB3 PRO A 20 0.840 -12.571 3.116 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -1.318 -14.305 1.942 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -1.212 -13.613 3.549 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -2.741 -12.513 1.535 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -2.096 -11.573 2.866 1.00 0.00 H new ATOM 291 N ASP A 21 -0.567 -13.231 -0.945 1.00 0.00 N ATOM 292 CA ASP A 21 -0.573 -14.023 -2.168 1.00 0.00 C ATOM 293 C ASP A 21 -0.286 -13.137 -3.368 1.00 0.00 C ATOM 294 O ASP A 21 0.025 -13.623 -4.456 1.00 0.00 O ATOM 295 CB ASP A 21 -1.926 -14.713 -2.366 1.00 0.00 C ATOM 296 CG ASP A 21 -2.320 -15.603 -1.204 1.00 0.00 C ATOM 297 OD1 ASP A 21 -1.778 -16.723 -1.093 1.00 0.00 O ATOM 298 OD2 ASP A 21 -3.190 -15.193 -0.403 1.00 0.00 O ATOM 0 H ASP A 21 -1.477 -12.851 -0.685 1.00 0.00 H new ATOM 0 HA ASP A 21 0.203 -14.783 -2.078 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -2.695 -13.954 -2.511 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -1.892 -15.310 -3.277 1.00 0.00 H new ATOM 302 N LEU A 22 -0.393 -11.834 -3.168 1.00 0.00 N ATOM 303 CA LEU A 22 -0.219 -10.889 -4.253 1.00 0.00 C ATOM 304 C LEU A 22 1.228 -10.433 -4.355 1.00 0.00 C ATOM 305 O LEU A 22 1.715 -9.679 -3.511 1.00 0.00 O ATOM 306 CB LEU A 22 -1.143 -9.688 -4.066 1.00 0.00 C ATOM 307 CG LEU A 22 -2.636 -10.002 -4.176 1.00 0.00 C ATOM 308 CD1 LEU A 22 -3.456 -8.727 -4.119 1.00 0.00 C ATOM 309 CD2 LEU A 22 -2.929 -10.759 -5.461 1.00 0.00 C ATOM 0 H LEU A 22 -0.599 -11.409 -2.264 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.481 -11.392 -5.184 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.950 -9.248 -3.088 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.889 -8.933 -4.810 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.915 -10.631 -3.331 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.515 -8.972 -4.199 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.272 -8.218 -3.173 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.171 -8.074 -4.944 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.996 -10.974 -5.522 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.632 -10.153 -6.316 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.370 -11.695 -5.468 1.00 0.00 H new ATOM 320 N ASP A 23 1.910 -10.915 -5.384 1.00 0.00 N ATOM 321 CA ASP A 23 3.277 -10.497 -5.663 1.00 0.00 C ATOM 322 C ASP A 23 3.281 -9.025 -6.075 1.00 0.00 C ATOM 323 O ASP A 23 2.539 -8.627 -6.976 1.00 0.00 O ATOM 324 CB ASP A 23 3.885 -11.370 -6.771 1.00 0.00 C ATOM 325 CG ASP A 23 5.342 -11.051 -7.043 1.00 0.00 C ATOM 326 OD1 ASP A 23 5.626 -9.949 -7.539 1.00 0.00 O ATOM 327 OD2 ASP A 23 6.213 -11.902 -6.765 1.00 0.00 O ATOM 0 H ASP A 23 1.537 -11.599 -6.042 1.00 0.00 H new ATOM 0 HA ASP A 23 3.884 -10.618 -4.765 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.795 -12.419 -6.490 1.00 0.00 H new ATOM 0 HB3 ASP A 23 3.312 -11.235 -7.688 1.00 0.00 H new ATOM 331 N PRO A 24 4.107 -8.197 -5.418 1.00 0.00 N ATOM 332 CA PRO A 24 4.115 -6.741 -5.621 1.00 0.00 C ATOM 333 C PRO A 24 4.494 -6.313 -7.041 1.00 0.00 C ATOM 334 O PRO A 24 4.379 -5.138 -7.385 1.00 0.00 O ATOM 335 CB PRO A 24 5.154 -6.235 -4.615 1.00 0.00 C ATOM 336 CG PRO A 24 5.995 -7.420 -4.291 1.00 0.00 C ATOM 337 CD PRO A 24 5.097 -8.617 -4.415 1.00 0.00 C ATOM 0 HA PRO A 24 3.117 -6.328 -5.477 1.00 0.00 H new ATOM 0 HB2 PRO A 24 5.754 -5.431 -5.040 1.00 0.00 H new ATOM 0 HB3 PRO A 24 4.675 -5.836 -3.721 1.00 0.00 H new ATOM 0 HG2 PRO A 24 6.841 -7.496 -4.974 1.00 0.00 H new ATOM 0 HG3 PRO A 24 6.405 -7.343 -3.284 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.647 -9.500 -4.739 1.00 0.00 H new ATOM 0 HD3 PRO A 24 4.625 -8.866 -3.464 1.00 0.00 H new ATOM 342 N LYS A 25 4.947 -7.252 -7.866 1.00 0.00 N ATOM 343 CA LYS A 25 5.247 -6.950 -9.261 1.00 0.00 C ATOM 344 C LYS A 25 3.960 -6.906 -10.073 1.00 0.00 C ATOM 345 O LYS A 25 3.893 -6.250 -11.111 1.00 0.00 O ATOM 346 CB LYS A 25 6.186 -7.998 -9.857 1.00 0.00 C ATOM 347 CG LYS A 25 7.452 -8.224 -9.053 1.00 0.00 C ATOM 348 CD LYS A 25 8.240 -9.401 -9.603 1.00 0.00 C ATOM 349 CE LYS A 25 9.230 -9.940 -8.589 1.00 0.00 C ATOM 350 NZ LYS A 25 8.554 -10.411 -7.350 1.00 0.00 N ATOM 0 H LYS A 25 5.113 -8.221 -7.595 1.00 0.00 H new ATOM 0 HA LYS A 25 5.738 -5.978 -9.298 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.650 -8.943 -9.944 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.459 -7.693 -10.867 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.068 -7.325 -9.077 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.197 -8.408 -8.009 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.552 -10.194 -9.896 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.773 -9.093 -10.503 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.791 -10.763 -9.032 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.951 -9.162 -8.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.236 -10.923 -6.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.183 -9.594 -6.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.770 -11.046 -7.602 1.00 0.00 H new ATOM 360 N THR A 26 2.937 -7.607 -9.591 1.00 0.00 N ATOM 361 CA THR A 26 1.669 -7.685 -10.300 1.00 0.00 C ATOM 362 C THR A 26 0.745 -6.540 -9.897 1.00 0.00 C ATOM 363 O THR A 26 -0.128 -6.132 -10.664 1.00 0.00 O ATOM 364 CB THR A 26 0.949 -9.032 -10.046 1.00 0.00 C ATOM 365 OG1 THR A 26 0.629 -9.176 -8.658 1.00 0.00 O ATOM 366 CG2 THR A 26 1.814 -10.203 -10.488 1.00 0.00 C ATOM 0 H THR A 26 2.964 -8.127 -8.714 1.00 0.00 H new ATOM 0 HA THR A 26 1.900 -7.609 -11.362 1.00 0.00 H new ATOM 0 HB THR A 26 0.029 -9.032 -10.631 1.00 0.00 H new ATOM 0 HG1 THR A 26 1.456 -9.264 -8.139 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.286 -11.137 -10.299 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.027 -10.116 -11.553 1.00 0.00 H new ATOM 0 HG23 THR A 26 2.750 -10.196 -9.929 1.00 0.00 H new ATOM 374 N VAL A 27 0.950 -6.013 -8.698 1.00 0.00 N ATOM 375 CA VAL A 27 0.087 -4.969 -8.172 1.00 0.00 C ATOM 376 C VAL A 27 0.557 -3.599 -8.635 1.00 0.00 C ATOM 377 O VAL A 27 1.676 -3.181 -8.337 1.00 0.00 O ATOM 378 CB VAL A 27 0.035 -4.993 -6.629 1.00 0.00 C ATOM 379 CG1 VAL A 27 -0.958 -3.965 -6.112 1.00 0.00 C ATOM 380 CG2 VAL A 27 -0.320 -6.385 -6.129 1.00 0.00 C ATOM 0 H VAL A 27 1.706 -6.292 -8.073 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.915 -5.161 -8.556 1.00 0.00 H new ATOM 0 HB VAL A 27 1.022 -4.735 -6.246 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.981 -3.997 -5.023 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.656 -2.970 -6.440 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.951 -4.190 -6.502 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.352 -6.383 -5.039 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.295 -6.674 -6.520 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.433 -7.097 -6.469 1.00 0.00 H new ATOM 390 N ARG A 28 -0.289 -2.911 -9.381 1.00 0.00 N ATOM 391 CA ARG A 28 0.023 -1.562 -9.814 1.00 0.00 C ATOM 392 C ARG A 28 -0.535 -0.538 -8.836 1.00 0.00 C ATOM 393 O ARG A 28 -1.330 -0.889 -7.959 1.00 0.00 O ATOM 394 CB ARG A 28 -0.524 -1.290 -11.212 1.00 0.00 C ATOM 395 CG ARG A 28 0.179 -2.067 -12.311 1.00 0.00 C ATOM 396 CD ARG A 28 -0.174 -1.506 -13.675 1.00 0.00 C ATOM 397 NE ARG A 28 0.133 -0.080 -13.757 1.00 0.00 N ATOM 398 CZ ARG A 28 -0.583 0.796 -14.457 1.00 0.00 C ATOM 399 NH1 ARG A 28 -1.625 0.390 -15.172 1.00 0.00 N ATOM 400 NH2 ARG A 28 -0.255 2.085 -14.443 1.00 0.00 N ATOM 0 H ARG A 28 -1.193 -3.262 -9.698 1.00 0.00 H new ATOM 0 HA ARG A 28 1.109 -1.471 -9.843 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -1.586 -1.535 -11.230 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.439 -0.224 -11.423 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.258 -2.022 -12.162 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -0.106 -3.118 -12.260 1.00 0.00 H new ATOM 0 HD2 ARG A 28 0.378 -2.044 -14.446 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -1.234 -1.664 -13.873 1.00 0.00 H new ATOM 0 HE ARG A 28 0.946 0.265 -13.246 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -1.880 -0.598 -15.186 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -2.171 1.066 -15.707 1.00 0.00 H new ATOM 0 HH21 ARG A 28 0.545 2.402 -13.896 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -0.804 2.757 -14.980 1.00 0.00 H new ATOM 411 N PHE A 29 -0.131 0.719 -8.991 1.00 0.00 N ATOM 412 CA PHE A 29 -0.597 1.786 -8.111 1.00 0.00 C ATOM 413 C PHE A 29 -2.121 1.847 -8.105 1.00 0.00 C ATOM 414 O PHE A 29 -2.741 2.003 -7.051 1.00 0.00 O ATOM 415 CB PHE A 29 -0.029 3.136 -8.555 1.00 0.00 C ATOM 416 CG PHE A 29 1.473 3.173 -8.620 1.00 0.00 C ATOM 417 CD1 PHE A 29 2.234 3.070 -7.466 1.00 0.00 C ATOM 418 CD2 PHE A 29 2.123 3.316 -9.835 1.00 0.00 C ATOM 419 CE1 PHE A 29 3.614 3.107 -7.524 1.00 0.00 C ATOM 420 CE2 PHE A 29 3.502 3.353 -9.900 1.00 0.00 C ATOM 421 CZ PHE A 29 4.249 3.249 -8.742 1.00 0.00 C ATOM 0 H PHE A 29 0.517 1.024 -9.717 1.00 0.00 H new ATOM 0 HA PHE A 29 -0.247 1.569 -7.102 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.432 3.383 -9.537 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.372 3.908 -7.866 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.743 2.960 -6.511 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.544 3.400 -10.743 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.195 3.025 -6.618 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.996 3.463 -10.854 1.00 0.00 H new ATOM 0 HZ PHE A 29 5.328 3.279 -8.790 1.00 0.00 H new ATOM 430 N THR A 30 -2.707 1.688 -9.287 1.00 0.00 N ATOM 431 CA THR A 30 -4.152 1.730 -9.466 1.00 0.00 C ATOM 432 C THR A 30 -4.870 0.755 -8.525 1.00 0.00 C ATOM 433 O THR A 30 -5.803 1.136 -7.817 1.00 0.00 O ATOM 434 CB THR A 30 -4.508 1.380 -10.919 1.00 0.00 C ATOM 435 OG1 THR A 30 -3.474 1.861 -11.788 1.00 0.00 O ATOM 436 CG2 THR A 30 -5.844 1.993 -11.317 1.00 0.00 C ATOM 0 H THR A 30 -2.190 1.526 -10.151 1.00 0.00 H new ATOM 0 HA THR A 30 -4.483 2.741 -9.229 1.00 0.00 H new ATOM 0 HB THR A 30 -4.593 0.297 -11.007 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.697 1.638 -12.716 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.072 1.730 -12.350 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.629 1.611 -10.664 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.789 3.078 -11.223 1.00 0.00 H new ATOM 444 N ASP A 31 -4.417 -0.497 -8.510 1.00 0.00 N ATOM 445 CA ASP A 31 -5.039 -1.533 -7.683 1.00 0.00 C ATOM 446 C ASP A 31 -4.667 -1.355 -6.220 1.00 0.00 C ATOM 447 O ASP A 31 -5.503 -1.509 -5.332 1.00 0.00 O ATOM 448 CB ASP A 31 -4.621 -2.932 -8.148 1.00 0.00 C ATOM 449 CG ASP A 31 -5.200 -3.295 -9.498 1.00 0.00 C ATOM 450 OD1 ASP A 31 -4.669 -2.825 -10.526 1.00 0.00 O ATOM 451 OD2 ASP A 31 -6.190 -4.053 -9.541 1.00 0.00 O ATOM 0 H ASP A 31 -3.622 -0.820 -9.061 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.119 -1.432 -7.791 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -3.533 -2.984 -8.198 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.942 -3.667 -7.410 1.00 0.00 H new ATOM 455 N MET A 32 -3.406 -1.020 -5.980 1.00 0.00 N ATOM 456 CA MET A 32 -2.900 -0.822 -4.626 1.00 0.00 C ATOM 457 C MET A 32 -3.693 0.274 -3.919 1.00 0.00 C ATOM 458 O MET A 32 -3.981 0.173 -2.727 1.00 0.00 O ATOM 459 CB MET A 32 -1.420 -0.438 -4.674 1.00 0.00 C ATOM 460 CG MET A 32 -0.660 -0.780 -3.406 1.00 0.00 C ATOM 461 SD MET A 32 0.917 0.081 -3.291 1.00 0.00 S ATOM 462 CE MET A 32 0.342 1.753 -3.022 1.00 0.00 C ATOM 0 H MET A 32 -2.709 -0.879 -6.711 1.00 0.00 H new ATOM 0 HA MET A 32 -3.013 -1.753 -4.071 1.00 0.00 H new ATOM 0 HB2 MET A 32 -0.949 -0.944 -5.517 1.00 0.00 H new ATOM 0 HB3 MET A 32 -1.337 0.633 -4.859 1.00 0.00 H new ATOM 0 HG2 MET A 32 -1.272 -0.527 -2.540 1.00 0.00 H new ATOM 0 HG3 MET A 32 -0.486 -1.855 -3.370 1.00 0.00 H new ATOM 0 HE1 MET A 32 1.086 2.458 -3.393 1.00 0.00 H new ATOM 0 HE2 MET A 32 -0.598 1.904 -3.553 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.187 1.917 -1.956 1.00 0.00 H new ATOM 470 N HIS A 33 -4.057 1.310 -4.676 1.00 0.00 N ATOM 471 CA HIS A 33 -4.809 2.441 -4.139 1.00 0.00 C ATOM 472 C HIS A 33 -6.168 1.992 -3.616 1.00 0.00 C ATOM 473 O HIS A 33 -6.660 2.516 -2.621 1.00 0.00 O ATOM 474 CB HIS A 33 -5.011 3.513 -5.216 1.00 0.00 C ATOM 475 CG HIS A 33 -5.571 4.799 -4.688 1.00 0.00 C ATOM 476 ND1 HIS A 33 -6.922 5.038 -4.516 1.00 0.00 N ATOM 477 CD2 HIS A 33 -4.943 5.924 -4.288 1.00 0.00 C ATOM 478 CE1 HIS A 33 -7.093 6.257 -4.036 1.00 0.00 C ATOM 479 NE2 HIS A 33 -5.907 6.812 -3.889 1.00 0.00 N ATOM 0 H HIS A 33 -3.840 1.387 -5.670 1.00 0.00 H new ATOM 0 HA HIS A 33 -4.232 2.860 -3.315 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -4.055 3.715 -5.699 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -5.680 3.123 -5.983 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -7.670 4.377 -4.727 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -3.876 6.093 -4.283 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -8.041 6.719 -3.804 1.00 0.00 H new ATOM 487 N GLN A 34 -6.759 1.015 -4.289 1.00 0.00 N ATOM 488 CA GLN A 34 -8.098 0.551 -3.956 1.00 0.00 C ATOM 489 C GLN A 34 -8.116 -0.046 -2.560 1.00 0.00 C ATOM 490 O GLN A 34 -8.828 0.425 -1.671 1.00 0.00 O ATOM 491 CB GLN A 34 -8.566 -0.502 -4.965 1.00 0.00 C ATOM 492 CG GLN A 34 -8.441 -0.061 -6.411 1.00 0.00 C ATOM 493 CD GLN A 34 -9.205 1.212 -6.708 1.00 0.00 C ATOM 494 OE1 GLN A 34 -10.249 1.483 -6.114 1.00 0.00 O ATOM 495 NE2 GLN A 34 -8.685 2.009 -7.626 1.00 0.00 N ATOM 0 H GLN A 34 -6.329 0.526 -5.074 1.00 0.00 H new ATOM 0 HA GLN A 34 -8.774 1.406 -3.992 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -7.985 -1.413 -4.821 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -9.607 -0.752 -4.759 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -7.388 0.089 -6.650 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -8.805 -0.857 -7.061 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -7.818 1.748 -8.096 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -9.151 2.884 -7.864 1.00 0.00 H new ATOM 502 N TRP A 35 -7.298 -1.067 -2.375 1.00 0.00 N ATOM 503 CA TRP A 35 -7.254 -1.809 -1.129 1.00 0.00 C ATOM 504 C TRP A 35 -6.765 -0.932 0.018 1.00 0.00 C ATOM 505 O TRP A 35 -7.291 -0.997 1.128 1.00 0.00 O ATOM 506 CB TRP A 35 -6.349 -3.030 -1.291 1.00 0.00 C ATOM 507 CG TRP A 35 -6.743 -3.896 -2.450 1.00 0.00 C ATOM 508 CD1 TRP A 35 -7.997 -4.345 -2.749 1.00 0.00 C ATOM 509 CD2 TRP A 35 -5.876 -4.426 -3.458 1.00 0.00 C ATOM 510 NE1 TRP A 35 -7.964 -5.113 -3.886 1.00 0.00 N ATOM 511 CE2 TRP A 35 -6.674 -5.182 -4.339 1.00 0.00 C ATOM 512 CE3 TRP A 35 -4.505 -4.333 -3.704 1.00 0.00 C ATOM 513 CZ2 TRP A 35 -6.145 -5.841 -5.444 1.00 0.00 C ATOM 514 CZ3 TRP A 35 -3.981 -4.991 -4.802 1.00 0.00 C ATOM 515 CH2 TRP A 35 -4.798 -5.734 -5.660 1.00 0.00 C ATOM 0 H TRP A 35 -6.647 -1.404 -3.084 1.00 0.00 H new ATOM 0 HA TRP A 35 -8.264 -2.138 -0.886 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -5.319 -2.698 -1.425 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -6.377 -3.621 -0.376 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -8.885 -4.128 -2.175 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -8.770 -5.560 -4.323 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -3.866 -3.759 -3.050 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -6.774 -6.416 -6.107 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -2.921 -4.930 -5.000 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -4.357 -6.233 -6.510 1.00 0.00 H new ATOM 525 N ILE A 36 -5.774 -0.099 -0.267 1.00 0.00 N ATOM 526 CA ILE A 36 -5.178 0.760 0.749 1.00 0.00 C ATOM 527 C ILE A 36 -6.164 1.852 1.192 1.00 0.00 C ATOM 528 O ILE A 36 -6.155 2.276 2.346 1.00 0.00 O ATOM 529 CB ILE A 36 -3.839 1.371 0.236 1.00 0.00 C ATOM 530 CG1 ILE A 36 -2.898 1.715 1.400 1.00 0.00 C ATOM 531 CG2 ILE A 36 -4.072 2.597 -0.638 1.00 0.00 C ATOM 532 CD1 ILE A 36 -3.238 2.992 2.142 1.00 0.00 C ATOM 0 H ILE A 36 -5.364 0.001 -1.196 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.951 0.151 1.624 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.361 0.609 -0.379 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.904 0.888 2.109 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.882 1.796 1.014 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.113 2.992 -0.974 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.673 2.318 -1.503 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.597 3.360 -0.062 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.518 3.149 2.945 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.201 3.835 1.452 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.240 2.912 2.564 1.00 0.00 H new ATOM 543 N CYS A 37 -7.041 2.276 0.288 1.00 0.00 N ATOM 544 CA CYS A 37 -8.015 3.309 0.615 1.00 0.00 C ATOM 545 C CYS A 37 -9.159 2.717 1.435 1.00 0.00 C ATOM 546 O CYS A 37 -9.796 3.413 2.229 1.00 0.00 O ATOM 547 CB CYS A 37 -8.557 3.967 -0.659 1.00 0.00 C ATOM 548 SG CYS A 37 -9.664 5.364 -0.365 1.00 0.00 S ATOM 0 H CYS A 37 -7.097 1.924 -0.668 1.00 0.00 H new ATOM 0 HA CYS A 37 -7.517 4.075 1.210 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -7.716 4.307 -1.264 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -9.088 3.216 -1.244 1.00 0.00 H new ATOM 0 HG CYS A 37 -10.228 5.233 0.799 1.00 0.00 H new ATOM 553 N ASP A 38 -9.397 1.421 1.262 1.00 0.00 N ATOM 554 CA ASP A 38 -10.479 0.745 1.966 1.00 0.00 C ATOM 555 C ASP A 38 -10.036 0.258 3.337 1.00 0.00 C ATOM 556 O ASP A 38 -10.802 -0.392 4.048 1.00 0.00 O ATOM 557 CB ASP A 38 -11.020 -0.430 1.150 1.00 0.00 C ATOM 558 CG ASP A 38 -11.944 0.016 0.037 1.00 0.00 C ATOM 559 OD1 ASP A 38 -12.938 0.711 0.332 1.00 0.00 O ATOM 560 OD2 ASP A 38 -11.690 -0.332 -1.134 1.00 0.00 O ATOM 0 H ASP A 38 -8.856 0.819 0.641 1.00 0.00 H new ATOM 0 HA ASP A 38 -11.276 1.477 2.101 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -10.186 -0.988 0.724 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -11.555 -1.112 1.811 1.00 0.00 H new ATOM 564 N LEU A 39 -8.799 0.565 3.703 1.00 0.00 N ATOM 565 CA LEU A 39 -8.296 0.219 5.023 1.00 0.00 C ATOM 566 C LEU A 39 -8.983 1.077 6.070 1.00 0.00 C ATOM 567 O LEU A 39 -8.908 2.303 6.021 1.00 0.00 O ATOM 568 CB LEU A 39 -6.781 0.425 5.111 1.00 0.00 C ATOM 569 CG LEU A 39 -5.948 -0.339 4.085 1.00 0.00 C ATOM 570 CD1 LEU A 39 -4.465 -0.104 4.328 1.00 0.00 C ATOM 571 CD2 LEU A 39 -6.265 -1.823 4.135 1.00 0.00 C ATOM 0 H LEU A 39 -8.129 1.051 3.107 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.510 -0.834 5.203 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.571 1.489 5.003 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.451 0.135 6.108 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.201 0.031 3.092 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.883 -0.655 3.589 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.246 0.960 4.242 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.201 -0.449 5.328 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.661 -2.349 3.396 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.041 -2.210 5.129 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.322 -1.977 3.916 1.00 0.00 H new ATOM 582 N GLU A 40 -9.651 0.434 7.015 1.00 0.00 N ATOM 583 CA GLU A 40 -10.348 1.152 8.071 1.00 0.00 C ATOM 584 C GLU A 40 -9.343 1.763 9.040 1.00 0.00 C ATOM 585 O GLU A 40 -9.637 2.743 9.725 1.00 0.00 O ATOM 586 CB GLU A 40 -11.313 0.216 8.805 1.00 0.00 C ATOM 587 CG GLU A 40 -12.144 0.902 9.877 1.00 0.00 C ATOM 588 CD GLU A 40 -13.206 -0.010 10.453 1.00 0.00 C ATOM 589 OE1 GLU A 40 -12.888 -0.820 11.347 1.00 0.00 O ATOM 590 OE2 GLU A 40 -14.373 0.082 10.015 1.00 0.00 O ATOM 0 H GLU A 40 -9.725 -0.582 7.073 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.931 1.958 7.625 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.983 -0.241 8.077 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.742 -0.591 9.264 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.489 1.244 10.678 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.619 1.787 9.454 1.00 0.00 H new ATOM 595 N ASP A 41 -8.147 1.183 9.083 1.00 0.00 N ATOM 596 CA ASP A 41 -7.079 1.709 9.925 1.00 0.00 C ATOM 597 C ASP A 41 -6.405 2.886 9.238 1.00 0.00 C ATOM 598 O ASP A 41 -5.739 3.698 9.881 1.00 0.00 O ATOM 599 CB ASP A 41 -6.029 0.634 10.224 1.00 0.00 C ATOM 600 CG ASP A 41 -6.594 -0.553 10.973 1.00 0.00 C ATOM 601 OD1 ASP A 41 -6.801 -0.449 12.199 1.00 0.00 O ATOM 602 OD2 ASP A 41 -6.824 -1.603 10.341 1.00 0.00 O ATOM 0 H ASP A 41 -7.894 0.353 8.547 1.00 0.00 H new ATOM 0 HA ASP A 41 -7.525 2.034 10.865 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -5.592 0.290 9.286 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -5.222 1.075 10.809 1.00 0.00 H new ATOM 606 N PHE A 42 -6.584 2.978 7.928 1.00 0.00 N ATOM 607 CA PHE A 42 -6.021 4.079 7.167 1.00 0.00 C ATOM 608 C PHE A 42 -7.019 5.224 7.072 1.00 0.00 C ATOM 609 O PHE A 42 -8.185 5.023 6.729 1.00 0.00 O ATOM 610 CB PHE A 42 -5.612 3.623 5.763 1.00 0.00 C ATOM 611 CG PHE A 42 -5.056 4.737 4.922 1.00 0.00 C ATOM 612 CD1 PHE A 42 -3.713 5.067 4.988 1.00 0.00 C ATOM 613 CD2 PHE A 42 -5.881 5.464 4.078 1.00 0.00 C ATOM 614 CE1 PHE A 42 -3.202 6.099 4.229 1.00 0.00 C ATOM 615 CE2 PHE A 42 -5.375 6.500 3.320 1.00 0.00 C ATOM 616 CZ PHE A 42 -4.035 6.817 3.396 1.00 0.00 C ATOM 0 H PHE A 42 -7.113 2.305 7.373 1.00 0.00 H new ATOM 0 HA PHE A 42 -5.130 4.427 7.689 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -4.867 2.832 5.847 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -6.478 3.193 5.260 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -3.058 4.510 5.641 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -6.930 5.217 4.013 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -2.152 6.345 4.287 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -6.027 7.062 2.668 1.00 0.00 H new ATOM 0 HZ PHE A 42 -3.638 7.628 2.803 1.00 0.00 H new ATOM 625 N ASP A 43 -6.551 6.426 7.374 1.00 0.00 N ATOM 626 CA ASP A 43 -7.379 7.618 7.275 1.00 0.00 C ATOM 627 C ASP A 43 -6.506 8.863 7.278 1.00 0.00 C ATOM 628 O ASP A 43 -6.142 9.385 8.334 1.00 0.00 O ATOM 629 CB ASP A 43 -8.396 7.681 8.417 1.00 0.00 C ATOM 630 CG ASP A 43 -9.296 8.894 8.309 1.00 0.00 C ATOM 631 OD1 ASP A 43 -10.209 8.890 7.458 1.00 0.00 O ATOM 632 OD2 ASP A 43 -9.098 9.856 9.079 1.00 0.00 O ATOM 0 H ASP A 43 -5.598 6.602 7.691 1.00 0.00 H new ATOM 0 HA ASP A 43 -7.930 7.571 6.336 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -9.004 6.777 8.411 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -7.869 7.704 9.371 1.00 0.00 H new ATOM 636 N ASP A 44 -6.154 9.312 6.085 1.00 0.00 N ATOM 637 CA ASP A 44 -5.332 10.503 5.917 1.00 0.00 C ATOM 638 C ASP A 44 -5.979 11.418 4.887 1.00 0.00 C ATOM 639 O ASP A 44 -6.687 12.363 5.241 1.00 0.00 O ATOM 640 CB ASP A 44 -3.912 10.108 5.490 1.00 0.00 C ATOM 641 CG ASP A 44 -2.956 11.285 5.384 1.00 0.00 C ATOM 642 OD1 ASP A 44 -3.272 12.373 5.905 1.00 0.00 O ATOM 643 OD2 ASP A 44 -1.866 11.113 4.801 1.00 0.00 O ATOM 0 H ASP A 44 -6.427 8.866 5.209 1.00 0.00 H new ATOM 0 HA ASP A 44 -5.260 11.037 6.864 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -3.513 9.391 6.207 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -3.960 9.602 4.526 1.00 0.00 H new ATOM 647 N ASP A 45 -5.745 11.126 3.613 1.00 0.00 N ATOM 648 CA ASP A 45 -6.442 11.806 2.531 1.00 0.00 C ATOM 649 C ASP A 45 -6.636 10.854 1.357 1.00 0.00 C ATOM 650 O ASP A 45 -5.673 10.440 0.725 1.00 0.00 O ATOM 651 CB ASP A 45 -5.687 13.048 2.070 1.00 0.00 C ATOM 652 CG ASP A 45 -6.526 13.888 1.131 1.00 0.00 C ATOM 653 OD1 ASP A 45 -6.608 13.554 -0.068 1.00 0.00 O ATOM 654 OD2 ASP A 45 -7.121 14.884 1.594 1.00 0.00 O ATOM 0 H ASP A 45 -5.076 10.421 3.305 1.00 0.00 H new ATOM 0 HA ASP A 45 -7.414 12.124 2.909 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -5.401 13.644 2.937 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -4.766 12.751 1.569 1.00 0.00 H new ATOM 658 N PRO A 46 -7.882 10.490 1.056 1.00 0.00 N ATOM 659 CA PRO A 46 -8.185 9.523 -0.004 1.00 0.00 C ATOM 660 C PRO A 46 -7.939 10.066 -1.415 1.00 0.00 C ATOM 661 O PRO A 46 -7.777 9.294 -2.363 1.00 0.00 O ATOM 662 CB PRO A 46 -9.675 9.235 0.202 1.00 0.00 C ATOM 663 CG PRO A 46 -10.208 10.459 0.863 1.00 0.00 C ATOM 664 CD PRO A 46 -9.095 10.981 1.728 1.00 0.00 C ATOM 0 HA PRO A 46 -7.542 8.646 0.064 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -10.177 9.047 -0.747 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -9.826 8.352 0.823 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -10.509 11.202 0.124 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -11.090 10.227 1.460 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -9.109 12.069 1.787 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -9.169 10.605 2.748 1.00 0.00 H new ATOM 669 N GLN A 47 -7.899 11.388 -1.555 1.00 0.00 N ATOM 670 CA GLN A 47 -7.791 12.001 -2.873 1.00 0.00 C ATOM 671 C GLN A 47 -6.330 12.203 -3.264 1.00 0.00 C ATOM 672 O GLN A 47 -5.960 12.025 -4.429 1.00 0.00 O ATOM 673 CB GLN A 47 -8.531 13.342 -2.895 1.00 0.00 C ATOM 674 CG GLN A 47 -8.629 13.958 -4.284 1.00 0.00 C ATOM 675 CD GLN A 47 -9.421 13.092 -5.246 1.00 0.00 C ATOM 676 OE1 GLN A 47 -10.341 12.377 -4.848 1.00 0.00 O ATOM 677 NE2 GLN A 47 -9.072 13.150 -6.521 1.00 0.00 N ATOM 0 H GLN A 47 -7.939 12.049 -0.779 1.00 0.00 H new ATOM 0 HA GLN A 47 -8.249 11.329 -3.598 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -9.536 13.200 -2.497 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -8.021 14.040 -2.231 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -9.099 14.939 -4.211 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -7.626 14.114 -4.681 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -8.304 13.755 -6.813 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -9.571 12.590 -7.212 1.00 0.00 H new ATOM 684 N ALA A 48 -5.498 12.552 -2.294 1.00 0.00 N ATOM 685 CA ALA A 48 -4.084 12.752 -2.555 1.00 0.00 C ATOM 686 C ALA A 48 -3.344 11.434 -2.541 1.00 0.00 C ATOM 687 O ALA A 48 -3.306 10.739 -1.534 1.00 0.00 O ATOM 688 CB ALA A 48 -3.458 13.700 -1.552 1.00 0.00 C ATOM 0 H ALA A 48 -5.777 12.701 -1.324 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.001 13.199 -3.546 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.399 13.824 -1.780 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.957 14.668 -1.606 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.567 13.291 -0.548 1.00 0.00 H new ATOM 694 N SER A 49 -2.782 11.083 -3.675 1.00 0.00 N ATOM 695 CA SER A 49 -1.963 9.899 -3.784 1.00 0.00 C ATOM 696 C SER A 49 -0.938 10.105 -4.882 1.00 0.00 C ATOM 697 O SER A 49 -0.888 9.351 -5.856 1.00 0.00 O ATOM 698 CB SER A 49 -2.829 8.675 -4.068 1.00 0.00 C ATOM 699 OG SER A 49 -3.873 8.564 -3.114 1.00 0.00 O ATOM 0 H SER A 49 -2.879 11.608 -4.544 1.00 0.00 H new ATOM 0 HA SER A 49 -1.445 9.725 -2.841 1.00 0.00 H new ATOM 0 HB2 SER A 49 -3.252 8.748 -5.070 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.214 7.776 -4.047 1.00 0.00 H new ATOM 0 HG SER A 49 -4.696 8.275 -3.561 1.00 0.00 H new ATOM 704 N ASN A 50 -0.151 11.165 -4.731 1.00 0.00 N ATOM 705 CA ASN A 50 0.932 11.468 -5.669 1.00 0.00 C ATOM 706 C ASN A 50 1.829 10.252 -5.875 1.00 0.00 C ATOM 707 O ASN A 50 1.929 9.399 -4.990 1.00 0.00 O ATOM 708 CB ASN A 50 1.770 12.649 -5.171 1.00 0.00 C ATOM 709 CG ASN A 50 1.005 13.961 -5.185 1.00 0.00 C ATOM 710 OD1 ASN A 50 0.139 14.185 -6.032 1.00 0.00 O ATOM 711 ND2 ASN A 50 1.319 14.836 -4.243 1.00 0.00 N ATOM 0 H ASN A 50 -0.241 11.833 -3.966 1.00 0.00 H new ATOM 0 HA ASN A 50 0.477 11.736 -6.623 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.112 12.444 -4.157 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.659 12.746 -5.794 1.00 0.00 H new ATOM 0 HD21 ASN A 50 0.837 15.734 -4.200 1.00 0.00 H new ATOM 0 HD22 ASN A 50 2.042 14.612 -3.560 1.00 0.00 H new ATOM 717 N GLU A 51 2.473 10.173 -7.032 1.00 0.00 N ATOM 718 CA GLU A 51 3.248 8.989 -7.408 1.00 0.00 C ATOM 719 C GLU A 51 4.216 8.548 -6.306 1.00 0.00 C ATOM 720 O GLU A 51 4.246 7.372 -5.950 1.00 0.00 O ATOM 721 CB GLU A 51 4.007 9.228 -8.713 1.00 0.00 C ATOM 722 CG GLU A 51 3.197 8.903 -9.963 1.00 0.00 C ATOM 723 CD GLU A 51 1.885 9.657 -10.042 1.00 0.00 C ATOM 724 OE1 GLU A 51 1.913 10.888 -10.253 1.00 0.00 O ATOM 725 OE2 GLU A 51 0.818 9.027 -9.895 1.00 0.00 O ATOM 0 H GLU A 51 2.476 10.916 -7.731 1.00 0.00 H new ATOM 0 HA GLU A 51 2.532 8.180 -7.554 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.320 10.271 -8.755 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.914 8.623 -8.711 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.795 9.135 -10.845 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.994 7.832 -9.988 1.00 0.00 H new ATOM 730 N LYS A 52 4.987 9.491 -5.758 1.00 0.00 N ATOM 731 CA LYS A 52 5.933 9.186 -4.678 1.00 0.00 C ATOM 732 C LYS A 52 5.241 8.497 -3.505 1.00 0.00 C ATOM 733 O LYS A 52 5.764 7.538 -2.939 1.00 0.00 O ATOM 734 CB LYS A 52 6.611 10.460 -4.169 1.00 0.00 C ATOM 735 CG LYS A 52 7.668 11.035 -5.102 1.00 0.00 C ATOM 736 CD LYS A 52 8.800 10.047 -5.364 1.00 0.00 C ATOM 737 CE LYS A 52 9.363 9.450 -4.076 1.00 0.00 C ATOM 738 NZ LYS A 52 9.804 10.487 -3.103 1.00 0.00 N ATOM 0 H LYS A 52 4.976 10.470 -6.043 1.00 0.00 H new ATOM 0 HA LYS A 52 6.682 8.513 -5.096 1.00 0.00 H new ATOM 0 HB2 LYS A 52 5.847 11.218 -3.997 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.073 10.249 -3.205 1.00 0.00 H new ATOM 0 HG2 LYS A 52 7.203 11.313 -6.048 1.00 0.00 H new ATOM 0 HG3 LYS A 52 8.077 11.947 -4.668 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.436 9.244 -6.005 1.00 0.00 H new ATOM 0 HD3 LYS A 52 9.599 10.551 -5.907 1.00 0.00 H new ATOM 0 HE2 LYS A 52 8.604 8.821 -3.611 1.00 0.00 H new ATOM 0 HE3 LYS A 52 10.207 8.804 -4.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 10.652 10.154 -2.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 10.025 11.368 -3.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 9.043 10.665 -2.416 1.00 0.00 H new ATOM 748 N ILE A 53 4.060 8.994 -3.162 1.00 0.00 N ATOM 749 CA ILE A 53 3.281 8.462 -2.054 1.00 0.00 C ATOM 750 C ILE A 53 3.027 6.969 -2.234 1.00 0.00 C ATOM 751 O ILE A 53 3.342 6.159 -1.358 1.00 0.00 O ATOM 752 CB ILE A 53 1.928 9.198 -1.946 1.00 0.00 C ATOM 753 CG1 ILE A 53 2.141 10.672 -1.590 1.00 0.00 C ATOM 754 CG2 ILE A 53 1.025 8.525 -0.932 1.00 0.00 C ATOM 755 CD1 ILE A 53 2.829 10.890 -0.257 1.00 0.00 C ATOM 0 H ILE A 53 3.616 9.776 -3.644 1.00 0.00 H new ATOM 0 HA ILE A 53 3.854 8.616 -1.140 1.00 0.00 H new ATOM 0 HB ILE A 53 1.438 9.149 -2.918 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.733 11.143 -2.375 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.174 11.175 -1.575 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.078 9.062 -0.875 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.840 7.495 -1.237 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.507 8.533 0.046 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.943 11.959 -0.077 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.228 10.450 0.539 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.811 10.418 -0.273 1.00 0.00 H new ATOM 766 N LEU A 54 2.481 6.614 -3.387 1.00 0.00 N ATOM 767 CA LEU A 54 2.147 5.230 -3.683 1.00 0.00 C ATOM 768 C LEU A 54 3.408 4.416 -3.964 1.00 0.00 C ATOM 769 O LEU A 54 3.459 3.219 -3.680 1.00 0.00 O ATOM 770 CB LEU A 54 1.191 5.165 -4.877 1.00 0.00 C ATOM 771 CG LEU A 54 -0.145 5.888 -4.681 1.00 0.00 C ATOM 772 CD1 LEU A 54 -0.976 5.828 -5.951 1.00 0.00 C ATOM 773 CD2 LEU A 54 -0.913 5.290 -3.511 1.00 0.00 C ATOM 0 H LEU A 54 2.259 7.269 -4.136 1.00 0.00 H new ATOM 0 HA LEU A 54 1.653 4.799 -2.812 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.692 5.590 -5.747 1.00 0.00 H new ATOM 0 HB3 LEU A 54 0.990 4.118 -5.105 1.00 0.00 H new ATOM 0 HG LEU A 54 0.063 6.934 -4.455 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.921 6.347 -5.792 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.432 6.307 -6.765 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.172 4.787 -6.209 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.859 5.818 -3.389 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.108 4.235 -3.705 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.323 5.388 -2.600 1.00 0.00 H new ATOM 784 N GLU A 55 4.425 5.076 -4.510 1.00 0.00 N ATOM 785 CA GLU A 55 5.694 4.425 -4.819 1.00 0.00 C ATOM 786 C GLU A 55 6.340 3.877 -3.555 1.00 0.00 C ATOM 787 O GLU A 55 6.781 2.731 -3.528 1.00 0.00 O ATOM 788 CB GLU A 55 6.653 5.400 -5.508 1.00 0.00 C ATOM 789 CG GLU A 55 8.011 4.792 -5.829 1.00 0.00 C ATOM 790 CD GLU A 55 8.932 5.752 -6.549 1.00 0.00 C ATOM 791 OE1 GLU A 55 8.876 5.808 -7.795 1.00 0.00 O ATOM 792 OE2 GLU A 55 9.737 6.432 -5.882 1.00 0.00 O ATOM 0 H GLU A 55 4.394 6.067 -4.749 1.00 0.00 H new ATOM 0 HA GLU A 55 5.486 3.598 -5.497 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.196 5.755 -6.431 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.796 6.270 -4.867 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.486 4.467 -4.903 1.00 0.00 H new ATOM 0 HG3 GLU A 55 7.869 3.903 -6.444 1.00 0.00 H new ATOM 797 N ALA A 56 6.381 4.699 -2.509 1.00 0.00 N ATOM 798 CA ALA A 56 6.977 4.299 -1.239 1.00 0.00 C ATOM 799 C ALA A 56 6.287 3.061 -0.677 1.00 0.00 C ATOM 800 O ALA A 56 6.931 2.183 -0.103 1.00 0.00 O ATOM 801 CB ALA A 56 6.908 5.445 -0.241 1.00 0.00 C ATOM 0 H ALA A 56 6.007 5.648 -2.517 1.00 0.00 H new ATOM 0 HA ALA A 56 8.023 4.050 -1.417 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.356 5.133 0.702 1.00 0.00 H new ATOM 0 HB2 ALA A 56 7.452 6.304 -0.635 1.00 0.00 H new ATOM 0 HB3 ALA A 56 5.867 5.720 -0.075 1.00 0.00 H new ATOM 807 N ILE A 57 4.977 2.990 -0.866 1.00 0.00 N ATOM 808 CA ILE A 57 4.196 1.863 -0.384 1.00 0.00 C ATOM 809 C ILE A 57 4.469 0.618 -1.228 1.00 0.00 C ATOM 810 O ILE A 57 4.541 -0.496 -0.711 1.00 0.00 O ATOM 811 CB ILE A 57 2.689 2.183 -0.398 1.00 0.00 C ATOM 812 CG1 ILE A 57 2.423 3.465 0.391 1.00 0.00 C ATOM 813 CG2 ILE A 57 1.893 1.025 0.185 1.00 0.00 C ATOM 814 CD1 ILE A 57 0.979 3.912 0.357 1.00 0.00 C ATOM 0 H ILE A 57 4.432 3.703 -1.352 1.00 0.00 H new ATOM 0 HA ILE A 57 4.498 1.669 0.645 1.00 0.00 H new ATOM 0 HB ILE A 57 2.370 2.331 -1.430 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.722 3.311 1.428 1.00 0.00 H new ATOM 0 HG13 ILE A 57 3.050 4.263 -0.007 1.00 0.00 H new ATOM 0 HG21 ILE A 57 0.831 1.268 0.167 1.00 0.00 H new ATOM 0 HG22 ILE A 57 2.070 0.127 -0.407 1.00 0.00 H new ATOM 0 HG23 ILE A 57 2.208 0.849 1.214 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.868 4.827 0.938 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.680 4.099 -0.674 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.347 3.133 0.783 1.00 0.00 H new ATOM 825 N LEU A 58 4.638 0.819 -2.525 1.00 0.00 N ATOM 826 CA LEU A 58 4.975 -0.273 -3.427 1.00 0.00 C ATOM 827 C LEU A 58 6.382 -0.781 -3.100 1.00 0.00 C ATOM 828 O LEU A 58 6.640 -1.985 -3.094 1.00 0.00 O ATOM 829 CB LEU A 58 4.888 0.213 -4.884 1.00 0.00 C ATOM 830 CG LEU A 58 4.568 -0.854 -5.945 1.00 0.00 C ATOM 831 CD1 LEU A 58 5.726 -1.825 -6.125 1.00 0.00 C ATOM 832 CD2 LEU A 58 3.297 -1.608 -5.578 1.00 0.00 C ATOM 0 H LEU A 58 4.547 1.728 -2.978 1.00 0.00 H new ATOM 0 HA LEU A 58 4.270 -1.094 -3.300 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.125 0.989 -4.940 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.838 0.680 -5.145 1.00 0.00 H new ATOM 0 HG LEU A 58 4.411 -0.341 -6.894 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.466 -2.565 -6.882 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.614 -1.278 -6.443 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.929 -2.328 -5.180 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.086 -2.359 -6.340 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.430 -2.098 -4.613 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.463 -0.908 -5.518 1.00 0.00 H new ATOM 843 N LEU A 59 7.278 0.156 -2.796 1.00 0.00 N ATOM 844 CA LEU A 59 8.659 -0.169 -2.446 1.00 0.00 C ATOM 845 C LEU A 59 8.730 -1.019 -1.182 1.00 0.00 C ATOM 846 O LEU A 59 9.476 -1.996 -1.131 1.00 0.00 O ATOM 847 CB LEU A 59 9.483 1.108 -2.261 1.00 0.00 C ATOM 848 CG LEU A 59 9.718 1.919 -3.535 1.00 0.00 C ATOM 849 CD1 LEU A 59 10.488 3.190 -3.221 1.00 0.00 C ATOM 850 CD2 LEU A 59 10.464 1.088 -4.566 1.00 0.00 C ATOM 0 H LEU A 59 7.069 1.154 -2.785 1.00 0.00 H new ATOM 0 HA LEU A 59 9.077 -0.748 -3.270 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.980 1.744 -1.532 1.00 0.00 H new ATOM 0 HB3 LEU A 59 10.450 0.839 -1.836 1.00 0.00 H new ATOM 0 HG LEU A 59 8.749 2.195 -3.951 1.00 0.00 H new ATOM 0 HD11 LEU A 59 10.647 3.755 -4.139 1.00 0.00 H new ATOM 0 HD12 LEU A 59 9.919 3.795 -2.516 1.00 0.00 H new ATOM 0 HD13 LEU A 59 11.452 2.932 -2.782 1.00 0.00 H new ATOM 0 HD21 LEU A 59 10.622 1.682 -5.466 1.00 0.00 H new ATOM 0 HD22 LEU A 59 11.428 0.782 -4.159 1.00 0.00 H new ATOM 0 HD23 LEU A 59 9.878 0.203 -4.813 1.00 0.00 H new ATOM 861 N VAL A 60 7.953 -0.659 -0.167 1.00 0.00 N ATOM 862 CA VAL A 60 7.950 -1.421 1.077 1.00 0.00 C ATOM 863 C VAL A 60 7.228 -2.760 0.890 1.00 0.00 C ATOM 864 O VAL A 60 7.550 -3.742 1.558 1.00 0.00 O ATOM 865 CB VAL A 60 7.338 -0.622 2.255 1.00 0.00 C ATOM 866 CG1 VAL A 60 5.883 -0.283 2.002 1.00 0.00 C ATOM 867 CG2 VAL A 60 7.488 -1.381 3.567 1.00 0.00 C ATOM 0 H VAL A 60 7.325 0.144 -0.179 1.00 0.00 H new ATOM 0 HA VAL A 60 8.990 -1.619 1.335 1.00 0.00 H new ATOM 0 HB VAL A 60 7.891 0.314 2.333 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.487 0.277 2.849 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.802 0.321 1.098 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.312 -1.203 1.877 1.00 0.00 H new ATOM 0 HG21 VAL A 60 7.050 -0.798 4.377 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.976 -2.340 3.493 1.00 0.00 H new ATOM 0 HG23 VAL A 60 8.545 -1.549 3.771 1.00 0.00 H new ATOM 877 N TRP A 61 6.278 -2.815 -0.040 1.00 0.00 N ATOM 878 CA TRP A 61 5.644 -4.082 -0.386 1.00 0.00 C ATOM 879 C TRP A 61 6.684 -4.995 -1.037 1.00 0.00 C ATOM 880 O TRP A 61 6.787 -6.171 -0.701 1.00 0.00 O ATOM 881 CB TRP A 61 4.453 -3.869 -1.330 1.00 0.00 C ATOM 882 CG TRP A 61 3.518 -5.051 -1.413 1.00 0.00 C ATOM 883 CD1 TRP A 61 3.814 -6.361 -1.159 1.00 0.00 C ATOM 884 CD2 TRP A 61 2.133 -5.024 -1.783 1.00 0.00 C ATOM 885 NE1 TRP A 61 2.700 -7.143 -1.338 1.00 0.00 N ATOM 886 CE2 TRP A 61 1.657 -6.348 -1.720 1.00 0.00 C ATOM 887 CE3 TRP A 61 1.248 -4.011 -2.157 1.00 0.00 C ATOM 888 CZ2 TRP A 61 0.339 -6.684 -2.017 1.00 0.00 C ATOM 889 CZ3 TRP A 61 -0.062 -4.347 -2.452 1.00 0.00 C ATOM 890 CH2 TRP A 61 -0.506 -5.672 -2.378 1.00 0.00 C ATOM 0 H TRP A 61 5.934 -2.008 -0.561 1.00 0.00 H new ATOM 0 HA TRP A 61 5.261 -4.546 0.523 1.00 0.00 H new ATOM 0 HB2 TRP A 61 3.891 -2.996 -0.998 1.00 0.00 H new ATOM 0 HB3 TRP A 61 4.829 -3.645 -2.328 1.00 0.00 H new ATOM 0 HD1 TRP A 61 4.785 -6.728 -0.860 1.00 0.00 H new ATOM 0 HE1 TRP A 61 2.658 -8.154 -1.207 1.00 0.00 H new ATOM 0 HE3 TRP A 61 1.579 -2.985 -2.215 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -0.003 -7.707 -1.964 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -0.755 -3.572 -2.745 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -1.536 -5.899 -2.611 1.00 0.00 H new ATOM 900 N LEU A 62 7.470 -4.429 -1.952 1.00 0.00 N ATOM 901 CA LEU A 62 8.582 -5.151 -2.569 1.00 0.00 C ATOM 902 C LEU A 62 9.582 -5.593 -1.509 1.00 0.00 C ATOM 903 O LEU A 62 10.213 -6.641 -1.628 1.00 0.00 O ATOM 904 CB LEU A 62 9.306 -4.264 -3.589 1.00 0.00 C ATOM 905 CG LEU A 62 8.529 -3.945 -4.865 1.00 0.00 C ATOM 906 CD1 LEU A 62 9.242 -2.864 -5.662 1.00 0.00 C ATOM 907 CD2 LEU A 62 8.354 -5.197 -5.714 1.00 0.00 C ATOM 0 H LEU A 62 7.357 -3.471 -2.283 1.00 0.00 H new ATOM 0 HA LEU A 62 8.170 -6.024 -3.075 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.570 -3.325 -3.103 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.240 -4.752 -3.868 1.00 0.00 H new ATOM 0 HG LEU A 62 7.542 -3.579 -4.583 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.677 -2.647 -6.568 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.321 -1.960 -5.059 1.00 0.00 H new ATOM 0 HD13 LEU A 62 10.240 -3.209 -5.931 1.00 0.00 H new ATOM 0 HD21 LEU A 62 7.798 -4.949 -6.618 1.00 0.00 H new ATOM 0 HD22 LEU A 62 9.333 -5.592 -5.987 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.805 -5.948 -5.146 1.00 0.00 H new ATOM 918 N ASP A 63 9.725 -4.768 -0.481 1.00 0.00 N ATOM 919 CA ASP A 63 10.672 -5.018 0.597 1.00 0.00 C ATOM 920 C ASP A 63 10.203 -6.182 1.463 1.00 0.00 C ATOM 921 O ASP A 63 10.980 -7.081 1.783 1.00 0.00 O ATOM 922 CB ASP A 63 10.837 -3.757 1.451 1.00 0.00 C ATOM 923 CG ASP A 63 12.037 -3.821 2.374 1.00 0.00 C ATOM 924 OD1 ASP A 63 13.149 -3.480 1.926 1.00 0.00 O ATOM 925 OD2 ASP A 63 11.872 -4.182 3.554 1.00 0.00 O ATOM 0 H ASP A 63 9.189 -3.908 -0.371 1.00 0.00 H new ATOM 0 HA ASP A 63 11.636 -5.280 0.160 1.00 0.00 H new ATOM 0 HB2 ASP A 63 10.935 -2.891 0.796 1.00 0.00 H new ATOM 0 HB3 ASP A 63 9.936 -3.607 2.045 1.00 0.00 H new ATOM 929 N GLU A 64 8.925 -6.168 1.826 1.00 0.00 N ATOM 930 CA GLU A 64 8.351 -7.230 2.646 1.00 0.00 C ATOM 931 C GLU A 64 8.147 -8.509 1.841 1.00 0.00 C ATOM 932 O GLU A 64 8.488 -9.598 2.297 1.00 0.00 O ATOM 933 CB GLU A 64 7.025 -6.782 3.260 1.00 0.00 C ATOM 934 CG GLU A 64 7.181 -5.735 4.348 1.00 0.00 C ATOM 935 CD GLU A 64 8.101 -6.194 5.463 1.00 0.00 C ATOM 936 OE1 GLU A 64 8.000 -7.365 5.885 1.00 0.00 O ATOM 937 OE2 GLU A 64 8.929 -5.387 5.928 1.00 0.00 O ATOM 0 H GLU A 64 8.267 -5.434 1.566 1.00 0.00 H new ATOM 0 HA GLU A 64 9.059 -7.442 3.447 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.386 -6.383 2.472 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.514 -7.651 3.675 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.574 -4.817 3.911 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.202 -5.497 4.763 1.00 0.00 H new ATOM 942 N ALA A 65 7.600 -8.382 0.639 1.00 0.00 N ATOM 943 CA ALA A 65 7.338 -9.542 -0.206 1.00 0.00 C ATOM 944 C ALA A 65 8.543 -9.851 -1.087 1.00 0.00 C ATOM 945 O ALA A 65 8.438 -9.927 -2.311 1.00 0.00 O ATOM 946 CB ALA A 65 6.096 -9.317 -1.053 1.00 0.00 C ATOM 0 H ALA A 65 7.329 -7.489 0.227 1.00 0.00 H new ATOM 0 HA ALA A 65 7.160 -10.402 0.440 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.917 -10.193 -1.676 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.237 -9.153 -0.403 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.242 -8.443 -1.688 1.00 0.00 H new ATOM 952 N GLU A 66 9.690 -10.006 -0.447 1.00 0.00 N ATOM 953 CA GLU A 66 10.919 -10.345 -1.137 1.00 0.00 C ATOM 954 C GLU A 66 11.076 -11.862 -1.191 1.00 0.00 C ATOM 955 O GLU A 66 10.830 -12.451 -2.261 1.00 0.00 O ATOM 956 CB GLU A 66 12.110 -9.690 -0.425 1.00 0.00 C ATOM 957 CG GLU A 66 13.452 -9.917 -1.106 1.00 0.00 C ATOM 958 CD GLU A 66 13.491 -9.417 -2.535 1.00 0.00 C ATOM 959 OE1 GLU A 66 13.305 -8.206 -2.757 1.00 0.00 O ATOM 960 OE2 GLU A 66 13.715 -10.238 -3.447 1.00 0.00 O ATOM 961 OXT GLU A 66 11.408 -12.466 -0.150 1.00 0.00 O ATOM 0 H GLU A 66 9.793 -9.900 0.562 1.00 0.00 H new ATOM 0 HA GLU A 66 10.884 -9.968 -2.159 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.930 -8.617 -0.353 1.00 0.00 H new ATOM 0 HB3 GLU A 66 12.164 -10.073 0.594 1.00 0.00 H new ATOM 0 HG2 GLU A 66 14.232 -9.417 -0.532 1.00 0.00 H new ATOM 0 HG3 GLU A 66 13.682 -10.982 -1.095 1.00 0.00 H new TER 966 GLU A 66