USER MOD reduce.3.24.130724 H: found=0, std=0, add=509, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 509 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 1 SER N :NH3+ -170:sc= 0 (180deg=-0.121) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 CYS SG : rot 84:sc= 0.68 USER MOD Single : A 14 LYS NZ :NH3+ 166:sc= 0.956 (180deg=0.797) USER MOD Single : A 17 ASN : amide:sc= -0.0202 K(o=-0.02,f=-1.1) USER MOD Single : A 32 THR OG1 : rot -76:sc= 0.0907 USER MOD Single : A 35 GLN : amide:sc= -0.0588 X(o=-0.059,f=-0.075) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.378 USER MOD Single : A 48 SER OG : rot 75:sc= 0.357 USER MOD Single : A 50 THR OG1 : rot -21:sc= 0.82 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc=-0.00778 K(o=-0.0078,f=-1.2) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl -130:sc= -0.314 (180deg=-0.606) USER MOD Single : A 65 MET CE :methyl -168:sc= 0 (180deg=-0.156) USER MOD Single : A 67 ASN : amide:sc= -0.0175 K(o=-0.017,f=-1.2) USER MOD Single : A 69 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -15.709 0.458 3.768 1.00 0.00 N ATOM 2 CA SER A 1 -14.401 0.006 3.309 1.00 0.00 C ATOM 3 C SER A 1 -13.284 0.848 3.913 1.00 0.00 C ATOM 4 O SER A 1 -12.236 0.326 4.293 1.00 0.00 O ATOM 5 CB SER A 1 -14.335 0.048 1.795 1.00 0.00 C ATOM 6 OG SER A 1 -15.299 -0.778 1.203 1.00 0.00 O ATOM 0 H1 SER A 1 -16.434 -0.230 3.481 1.00 0.00 H new ATOM 0 H2 SER A 1 -15.703 0.543 4.805 1.00 0.00 H new ATOM 0 H3 SER A 1 -15.924 1.384 3.346 1.00 0.00 H new ATOM 0 HA SER A 1 -14.262 -1.023 3.641 1.00 0.00 H new ATOM 0 HB2 SER A 1 -14.478 1.073 1.455 1.00 0.00 H new ATOM 0 HB3 SER A 1 -13.343 -0.261 1.467 1.00 0.00 H new ATOM 0 HG SER A 1 -15.224 -0.721 0.228 1.00 0.00 H new ATOM 14 N GLU A 2 -13.515 2.153 3.999 1.00 0.00 N ATOM 15 CA GLU A 2 -12.502 3.080 4.488 1.00 0.00 C ATOM 16 C GLU A 2 -12.172 2.815 5.952 1.00 0.00 C ATOM 17 O GLU A 2 -11.034 2.997 6.385 1.00 0.00 O ATOM 18 CB GLU A 2 -12.967 4.527 4.307 1.00 0.00 C ATOM 19 CG GLU A 2 -13.023 4.994 2.860 1.00 0.00 C ATOM 20 CD GLU A 2 -13.613 6.372 2.752 1.00 0.00 C ATOM 21 OE1 GLU A 2 -14.021 6.903 3.757 1.00 0.00 O ATOM 22 OE2 GLU A 2 -13.555 6.940 1.687 1.00 0.00 O ATOM 0 H GLU A 2 -14.397 2.593 3.736 1.00 0.00 H new ATOM 0 HA GLU A 2 -11.597 2.923 3.901 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -13.957 4.635 4.749 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -12.296 5.183 4.862 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -12.019 4.992 2.436 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -13.618 4.295 2.273 1.00 0.00 H new ATOM 29 N GLU A 3 -13.175 2.385 6.710 1.00 0.00 N ATOM 30 CA GLU A 3 -12.986 2.064 8.119 1.00 0.00 C ATOM 31 C GLU A 3 -12.010 0.908 8.295 1.00 0.00 C ATOM 32 O GLU A 3 -11.094 0.975 9.115 1.00 0.00 O ATOM 33 CB GLU A 3 -14.327 1.725 8.776 1.00 0.00 C ATOM 34 CG GLU A 3 -14.238 1.420 10.264 1.00 0.00 C ATOM 35 CD GLU A 3 -15.596 1.142 10.846 1.00 0.00 C ATOM 36 OE1 GLU A 3 -16.556 1.194 10.116 1.00 0.00 O ATOM 37 OE2 GLU A 3 -15.663 0.768 11.993 1.00 0.00 O ATOM 0 H GLU A 3 -14.128 2.251 6.371 1.00 0.00 H new ATOM 0 HA GLU A 3 -12.564 2.943 8.607 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -15.011 2.561 8.629 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -14.760 0.864 8.266 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -13.589 0.559 10.423 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -13.783 2.263 10.784 1.00 0.00 H new ATOM 44 N GLU A 4 -12.213 -0.153 7.521 1.00 0.00 N ATOM 45 CA GLU A 4 -11.327 -1.311 7.562 1.00 0.00 C ATOM 46 C GLU A 4 -9.967 -0.986 6.958 1.00 0.00 C ATOM 47 O GLU A 4 -8.941 -1.504 7.401 1.00 0.00 O ATOM 48 CB GLU A 4 -11.960 -2.495 6.828 1.00 0.00 C ATOM 49 CG GLU A 4 -13.173 -3.092 7.525 1.00 0.00 C ATOM 50 CD GLU A 4 -13.794 -4.186 6.701 1.00 0.00 C ATOM 51 OE1 GLU A 4 -13.325 -4.424 5.614 1.00 0.00 O ATOM 52 OE2 GLU A 4 -14.665 -4.858 7.201 1.00 0.00 O ATOM 0 H GLU A 4 -12.983 -0.235 6.858 1.00 0.00 H new ATOM 0 HA GLU A 4 -11.179 -1.581 8.608 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -12.253 -2.173 5.829 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -11.208 -3.274 6.704 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -12.878 -3.489 8.497 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -13.910 -2.310 7.710 1.00 0.00 H new ATOM 59 N LEU A 5 -9.965 -0.128 5.945 1.00 0.00 N ATOM 60 CA LEU A 5 -8.726 0.305 5.309 1.00 0.00 C ATOM 61 C LEU A 5 -7.860 1.102 6.276 1.00 0.00 C ATOM 62 O LEU A 5 -6.632 1.021 6.236 1.00 0.00 O ATOM 63 CB LEU A 5 -9.035 1.137 4.058 1.00 0.00 C ATOM 64 CG LEU A 5 -8.965 0.371 2.731 1.00 0.00 C ATOM 65 CD1 LEU A 5 -9.346 -1.087 2.950 1.00 0.00 C ATOM 66 CD2 LEU A 5 -9.894 1.024 1.718 1.00 0.00 C ATOM 0 H LEU A 5 -10.809 0.283 5.545 1.00 0.00 H new ATOM 0 HA LEU A 5 -8.168 -0.584 5.014 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -10.033 1.562 4.161 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -8.336 1.972 4.015 1.00 0.00 H new ATOM 0 HG LEU A 5 -7.946 0.404 2.345 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -9.293 -1.623 2.002 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -8.656 -1.540 3.662 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -10.361 -1.143 3.343 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -9.844 0.480 0.775 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -10.916 1.003 2.096 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -9.588 2.058 1.557 1.00 0.00 H new ATOM 78 N SER A 6 -8.506 1.873 7.144 1.00 0.00 N ATOM 79 CA SER A 6 -7.802 2.621 8.178 1.00 0.00 C ATOM 80 C SER A 6 -7.089 1.686 9.146 1.00 0.00 C ATOM 81 O SER A 6 -5.949 1.935 9.541 1.00 0.00 O ATOM 82 CB SER A 6 -8.769 3.518 8.925 1.00 0.00 C ATOM 83 OG SER A 6 -8.131 4.262 9.926 1.00 0.00 O ATOM 0 H SER A 6 -9.519 1.996 7.151 1.00 0.00 H new ATOM 0 HA SER A 6 -7.047 3.240 7.693 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.251 4.196 8.221 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.556 2.910 9.371 1.00 0.00 H new ATOM 0 HG SER A 6 -8.788 4.828 10.382 1.00 0.00 H new ATOM 89 N GLU A 7 -7.767 0.609 9.527 1.00 0.00 N ATOM 90 CA GLU A 7 -7.178 -0.398 10.403 1.00 0.00 C ATOM 91 C GLU A 7 -6.013 -1.105 9.722 1.00 0.00 C ATOM 92 O GLU A 7 -4.964 -1.319 10.329 1.00 0.00 O ATOM 93 CB GLU A 7 -8.234 -1.419 10.832 1.00 0.00 C ATOM 94 CG GLU A 7 -9.289 -0.869 11.781 1.00 0.00 C ATOM 95 CD GLU A 7 -10.361 -1.888 12.055 1.00 0.00 C ATOM 96 OE1 GLU A 7 -10.317 -2.940 11.466 1.00 0.00 O ATOM 97 OE2 GLU A 7 -11.158 -1.660 12.934 1.00 0.00 O ATOM 0 H GLU A 7 -8.726 0.410 9.243 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.798 0.111 11.289 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.730 -1.807 9.942 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.735 -2.261 11.311 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.819 -0.572 12.718 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.737 0.027 11.351 1.00 0.00 H new ATOM 104 N CYS A 8 -6.204 -1.466 8.457 1.00 0.00 N ATOM 105 CA CYS A 8 -5.157 -2.119 7.681 1.00 0.00 C ATOM 106 C CYS A 8 -3.961 -1.197 7.482 1.00 0.00 C ATOM 107 O CYS A 8 -2.813 -1.640 7.494 1.00 0.00 O ATOM 108 CB CYS A 8 -5.850 -2.398 6.347 1.00 0.00 C ATOM 109 SG CYS A 8 -7.100 -3.703 6.411 1.00 0.00 S ATOM 0 H CYS A 8 -7.075 -1.317 7.948 1.00 0.00 H new ATOM 0 HA CYS A 8 -4.761 -3.012 8.164 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -6.320 -1.479 5.997 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -5.095 -2.671 5.610 1.00 0.00 H new ATOM 0 HG CYS A 8 -8.230 -3.202 6.814 1.00 0.00 H new ATOM 115 N PHE A 9 -4.237 0.090 7.299 1.00 0.00 N ATOM 116 CA PHE A 9 -3.183 1.088 7.160 1.00 0.00 C ATOM 117 C PHE A 9 -2.316 1.150 8.411 1.00 0.00 C ATOM 118 O PHE A 9 -1.089 1.171 8.327 1.00 0.00 O ATOM 119 CB PHE A 9 -3.785 2.464 6.867 1.00 0.00 C ATOM 120 CG PHE A 9 -2.759 3.546 6.682 1.00 0.00 C ATOM 121 CD1 PHE A 9 -2.131 3.723 5.458 1.00 0.00 C ATOM 122 CD2 PHE A 9 -2.421 4.390 7.729 1.00 0.00 C ATOM 123 CE1 PHE A 9 -1.187 4.718 5.287 1.00 0.00 C ATOM 124 CE2 PHE A 9 -1.480 5.386 7.560 1.00 0.00 C ATOM 125 CZ PHE A 9 -0.861 5.549 6.337 1.00 0.00 C ATOM 0 H PHE A 9 -5.183 0.467 7.243 1.00 0.00 H new ATOM 0 HA PHE A 9 -2.551 0.793 6.322 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -4.397 2.399 5.968 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.449 2.742 7.685 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -2.382 3.077 4.630 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -2.900 4.267 8.689 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -0.704 4.844 4.329 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.228 6.037 8.384 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.123 6.326 6.203 1.00 0.00 H new ATOM 135 N ARG A 10 -2.963 1.180 9.571 1.00 0.00 N ATOM 136 CA ARG A 10 -2.253 1.215 10.845 1.00 0.00 C ATOM 137 C ARG A 10 -1.398 -0.032 11.032 1.00 0.00 C ATOM 138 O ARG A 10 -0.311 0.029 11.609 1.00 0.00 O ATOM 139 CB ARG A 10 -3.193 1.429 12.022 1.00 0.00 C ATOM 140 CG ARG A 10 -3.791 2.824 12.117 1.00 0.00 C ATOM 141 CD ARG A 10 -4.750 3.002 13.237 1.00 0.00 C ATOM 142 NE ARG A 10 -5.310 4.340 13.342 1.00 0.00 N ATOM 143 CZ ARG A 10 -6.245 4.710 14.239 1.00 0.00 C ATOM 144 NH1 ARG A 10 -6.754 3.840 15.084 1.00 0.00 N ATOM 145 NH2 ARG A 10 -6.655 5.966 14.232 1.00 0.00 N ATOM 0 H ARG A 10 -3.979 1.181 9.656 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.586 2.077 10.817 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -4.005 0.705 11.956 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.651 1.218 12.944 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -2.982 3.547 12.228 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -4.298 3.054 11.180 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -5.565 2.288 13.118 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -4.247 2.758 14.172 1.00 0.00 H new ATOM 0 HE ARG A 10 -4.971 5.048 12.691 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -6.442 2.869 15.066 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -7.461 4.136 15.757 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -6.265 6.626 13.559 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -7.362 6.275 14.899 1.00 0.00 H new ATOM 159 N ILE A 11 -1.895 -1.163 10.543 1.00 0.00 N ATOM 160 CA ILE A 11 -1.149 -2.414 10.598 1.00 0.00 C ATOM 161 C ILE A 11 0.034 -2.393 9.639 1.00 0.00 C ATOM 162 O ILE A 11 1.148 -2.767 10.004 1.00 0.00 O ATOM 163 CB ILE A 11 -2.045 -3.621 10.266 1.00 0.00 C ATOM 164 CG1 ILE A 11 -3.095 -3.825 11.362 1.00 0.00 C ATOM 165 CG2 ILE A 11 -1.205 -4.876 10.090 1.00 0.00 C ATOM 166 CD1 ILE A 11 -4.191 -4.796 10.987 1.00 0.00 C ATOM 0 H ILE A 11 -2.812 -1.239 10.104 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.782 -2.516 11.619 1.00 0.00 H new ATOM 0 HB ILE A 11 -2.562 -3.420 9.327 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.599 -4.183 12.264 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.544 -2.862 11.605 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.855 -5.719 9.856 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.496 -4.728 9.276 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.661 -5.082 11.012 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.895 -4.887 11.814 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.714 -4.431 10.103 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.755 -5.772 10.773 1.00 0.00 H new ATOM 178 N PHE A 12 -0.215 -1.953 8.410 1.00 0.00 N ATOM 179 CA PHE A 12 0.770 -2.067 7.342 1.00 0.00 C ATOM 180 C PHE A 12 1.912 -1.077 7.538 1.00 0.00 C ATOM 181 O PHE A 12 3.045 -1.334 7.132 1.00 0.00 O ATOM 182 CB PHE A 12 0.110 -1.844 5.980 1.00 0.00 C ATOM 183 CG PHE A 12 -0.883 -2.907 5.607 1.00 0.00 C ATOM 184 CD1 PHE A 12 -0.906 -4.121 6.279 1.00 0.00 C ATOM 185 CD2 PHE A 12 -1.796 -2.697 4.585 1.00 0.00 C ATOM 186 CE1 PHE A 12 -1.820 -5.099 5.936 1.00 0.00 C ATOM 187 CE2 PHE A 12 -2.711 -3.673 4.241 1.00 0.00 C ATOM 188 CZ PHE A 12 -2.723 -4.876 4.919 1.00 0.00 C ATOM 0 H PHE A 12 -1.092 -1.514 8.129 1.00 0.00 H new ATOM 0 HA PHE A 12 1.183 -3.075 7.375 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -0.392 -0.876 5.984 1.00 0.00 H new ATOM 0 HB3 PHE A 12 0.884 -1.798 5.214 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -0.203 -4.303 7.078 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.792 -1.758 4.051 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -1.827 -6.040 6.466 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.416 -3.495 3.443 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.438 -5.640 4.653 1.00 0.00 H new ATOM 198 N ASP A 13 1.608 0.055 8.164 1.00 0.00 N ATOM 199 CA ASP A 13 2.626 1.040 8.506 1.00 0.00 C ATOM 200 C ASP A 13 3.460 0.581 9.695 1.00 0.00 C ATOM 201 O ASP A 13 3.158 0.909 10.842 1.00 0.00 O ATOM 202 CB ASP A 13 1.981 2.395 8.808 1.00 0.00 C ATOM 203 CG ASP A 13 2.974 3.531 9.018 1.00 0.00 C ATOM 204 OD1 ASP A 13 4.154 3.276 8.984 1.00 0.00 O ATOM 205 OD2 ASP A 13 2.552 4.662 9.052 1.00 0.00 O ATOM 0 H ASP A 13 0.662 0.313 8.445 1.00 0.00 H new ATOM 0 HA ASP A 13 3.288 1.147 7.647 1.00 0.00 H new ATOM 0 HB2 ASP A 13 1.315 2.658 7.986 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.363 2.299 9.701 1.00 0.00 H new ATOM 210 N LYS A 14 4.512 -0.181 9.414 1.00 0.00 N ATOM 211 CA LYS A 14 5.264 -0.864 10.459 1.00 0.00 C ATOM 212 C LYS A 14 6.045 0.126 11.314 1.00 0.00 C ATOM 213 O LYS A 14 6.258 -0.101 12.505 1.00 0.00 O ATOM 214 CB LYS A 14 6.215 -1.895 9.848 1.00 0.00 C ATOM 215 CG LYS A 14 5.521 -3.098 9.221 1.00 0.00 C ATOM 216 CD LYS A 14 6.521 -4.029 8.554 1.00 0.00 C ATOM 217 CE LYS A 14 5.832 -5.244 7.951 1.00 0.00 C ATOM 218 NZ LYS A 14 6.783 -6.112 7.205 1.00 0.00 N ATOM 0 H LYS A 14 4.863 -0.341 8.470 1.00 0.00 H new ATOM 0 HA LYS A 14 4.549 -1.378 11.101 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.823 -1.405 9.088 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.896 -2.247 10.623 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.970 -3.642 9.988 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.792 -2.757 8.486 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.059 -3.489 7.774 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.261 -4.354 9.285 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.359 -5.823 8.744 1.00 0.00 H new ATOM 0 HE3 LYS A 14 5.039 -4.915 7.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.337 -7.032 7.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.035 -5.657 6.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.642 -6.254 7.773 1.00 0.00 H new ATOM 232 N ASP A 15 6.469 1.224 10.699 1.00 0.00 N ATOM 233 CA ASP A 15 7.323 2.196 11.371 1.00 0.00 C ATOM 234 C ASP A 15 6.497 3.301 12.017 1.00 0.00 C ATOM 235 O ASP A 15 6.921 3.913 12.997 1.00 0.00 O ATOM 236 CB ASP A 15 8.328 2.799 10.385 1.00 0.00 C ATOM 237 CG ASP A 15 9.342 1.805 9.834 1.00 0.00 C ATOM 238 OD1 ASP A 15 9.972 1.134 10.616 1.00 0.00 O ATOM 239 OD2 ASP A 15 9.367 1.613 8.642 1.00 0.00 O ATOM 0 H ASP A 15 6.235 1.463 9.735 1.00 0.00 H new ATOM 0 HA ASP A 15 7.868 1.673 12.157 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.781 3.241 9.552 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.863 3.609 10.880 1.00 0.00 H new ATOM 244 N GLY A 16 5.317 3.553 11.461 1.00 0.00 N ATOM 245 CA GLY A 16 4.460 4.632 11.937 1.00 0.00 C ATOM 246 C GLY A 16 4.836 5.959 11.291 1.00 0.00 C ATOM 247 O GLY A 16 4.808 7.006 11.938 1.00 0.00 O ATOM 0 H GLY A 16 4.932 3.024 10.679 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.419 4.398 11.715 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.543 4.715 13.021 1.00 0.00 H new ATOM 251 N ASN A 17 5.186 5.909 10.010 1.00 0.00 N ATOM 252 CA ASN A 17 5.678 7.086 9.304 1.00 0.00 C ATOM 253 C ASN A 17 4.530 7.980 8.854 1.00 0.00 C ATOM 254 O ASN A 17 4.723 9.165 8.580 1.00 0.00 O ATOM 255 CB ASN A 17 6.539 6.700 8.115 1.00 0.00 C ATOM 256 CG ASN A 17 7.870 6.114 8.496 1.00 0.00 C ATOM 257 OD1 ASN A 17 8.384 6.352 9.595 1.00 0.00 O ATOM 258 ND2 ASN A 17 8.468 5.418 7.563 1.00 0.00 N ATOM 0 H ASN A 17 5.138 5.065 9.439 1.00 0.00 H new ATOM 0 HA ASN A 17 6.296 7.646 10.006 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.996 5.979 7.504 1.00 0.00 H new ATOM 0 HB3 ASN A 17 6.704 7.582 7.496 1.00 0.00 H new ATOM 0 HD21 ASN A 17 9.403 5.043 7.726 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.999 5.250 6.673 1.00 0.00 H new ATOM 265 N GLY A 18 3.333 7.406 8.782 1.00 0.00 N ATOM 266 CA GLY A 18 2.156 8.142 8.336 1.00 0.00 C ATOM 267 C GLY A 18 1.892 7.912 6.854 1.00 0.00 C ATOM 268 O GLY A 18 1.042 8.571 6.256 1.00 0.00 O ATOM 0 H GLY A 18 3.153 6.432 9.027 1.00 0.00 H new ATOM 0 HA2 GLY A 18 1.287 7.830 8.916 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.297 9.207 8.522 1.00 0.00 H new ATOM 272 N PHE A 19 2.625 6.971 6.266 1.00 0.00 N ATOM 273 CA PHE A 19 2.450 6.634 4.859 1.00 0.00 C ATOM 274 C PHE A 19 3.002 5.246 4.553 1.00 0.00 C ATOM 275 O PHE A 19 3.709 4.656 5.369 1.00 0.00 O ATOM 276 CB PHE A 19 3.131 7.678 3.970 1.00 0.00 C ATOM 277 CG PHE A 19 4.610 7.801 4.205 1.00 0.00 C ATOM 278 CD1 PHE A 19 5.503 6.977 3.537 1.00 0.00 C ATOM 279 CD2 PHE A 19 5.110 8.742 5.093 1.00 0.00 C ATOM 280 CE1 PHE A 19 6.864 7.090 3.752 1.00 0.00 C ATOM 281 CE2 PHE A 19 6.470 8.857 5.308 1.00 0.00 C ATOM 282 CZ PHE A 19 7.348 8.030 4.636 1.00 0.00 C ATOM 0 H PHE A 19 3.345 6.429 6.743 1.00 0.00 H new ATOM 0 HA PHE A 19 1.381 6.631 4.647 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.959 7.420 2.925 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.663 8.648 4.140 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.131 6.239 2.841 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.429 9.392 5.622 1.00 0.00 H new ATOM 0 HE1 PHE A 19 7.549 6.441 3.227 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.846 9.594 6.002 1.00 0.00 H new ATOM 0 HZ PHE A 19 8.411 8.120 4.803 1.00 0.00 H new ATOM 292 N ILE A 20 2.675 4.732 3.372 1.00 0.00 N ATOM 293 CA ILE A 20 3.188 3.441 2.930 1.00 0.00 C ATOM 294 C ILE A 20 4.367 3.614 1.981 1.00 0.00 C ATOM 295 O ILE A 20 4.238 4.221 0.919 1.00 0.00 O ATOM 296 CB ILE A 20 2.097 2.609 2.232 1.00 0.00 C ATOM 297 CG1 ILE A 20 0.916 2.376 3.177 1.00 0.00 C ATOM 298 CG2 ILE A 20 2.666 1.283 1.751 1.00 0.00 C ATOM 299 CD1 ILE A 20 1.289 1.658 4.455 1.00 0.00 C ATOM 0 H ILE A 20 2.056 5.191 2.703 1.00 0.00 H new ATOM 0 HA ILE A 20 3.519 2.911 3.823 1.00 0.00 H new ATOM 0 HB ILE A 20 1.740 3.165 1.365 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.469 3.338 3.429 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.154 1.797 2.655 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.882 0.707 1.260 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.476 1.469 1.045 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.049 0.721 2.603 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.400 1.530 5.073 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.708 0.681 4.214 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.028 2.245 5.000 1.00 0.00 H new ATOM 311 N ASP A 21 5.518 3.076 2.373 1.00 0.00 N ATOM 312 CA ASP A 21 6.716 3.144 1.545 1.00 0.00 C ATOM 313 C ASP A 21 6.692 2.081 0.454 1.00 0.00 C ATOM 314 O ASP A 21 5.832 1.200 0.450 1.00 0.00 O ATOM 315 CB ASP A 21 7.973 2.986 2.406 1.00 0.00 C ATOM 316 CG ASP A 21 9.219 3.637 1.823 1.00 0.00 C ATOM 317 OD1 ASP A 21 9.144 4.147 0.730 1.00 0.00 O ATOM 318 OD2 ASP A 21 10.189 3.757 2.533 1.00 0.00 O ATOM 0 H ASP A 21 5.646 2.588 3.260 1.00 0.00 H new ATOM 0 HA ASP A 21 6.736 4.123 1.067 1.00 0.00 H new ATOM 0 HB2 ASP A 21 7.781 3.414 3.390 1.00 0.00 H new ATOM 0 HB3 ASP A 21 8.167 1.924 2.552 1.00 0.00 H new ATOM 323 N ARG A 22 7.642 2.169 -0.471 1.00 0.00 N ATOM 324 CA ARG A 22 7.732 1.216 -1.571 1.00 0.00 C ATOM 325 C ARG A 22 7.970 -0.198 -1.055 1.00 0.00 C ATOM 326 O ARG A 22 7.309 -1.144 -1.481 1.00 0.00 O ATOM 327 CB ARG A 22 8.780 1.620 -2.597 1.00 0.00 C ATOM 328 CG ARG A 22 8.822 0.750 -3.844 1.00 0.00 C ATOM 329 CD ARG A 22 9.886 1.119 -4.812 1.00 0.00 C ATOM 330 NE ARG A 22 11.239 0.846 -4.353 1.00 0.00 N ATOM 331 CZ ARG A 22 11.853 -0.349 -4.449 1.00 0.00 C ATOM 332 NH1 ARG A 22 11.230 -1.392 -4.952 1.00 0.00 N ATOM 333 NH2 ARG A 22 13.093 -0.451 -4.004 1.00 0.00 N ATOM 0 H ARG A 22 8.362 2.892 -0.481 1.00 0.00 H new ATOM 0 HA ARG A 22 6.771 1.227 -2.085 1.00 0.00 H new ATOM 0 HB2 ARG A 22 8.595 2.652 -2.897 1.00 0.00 H new ATOM 0 HB3 ARG A 22 9.761 1.597 -2.122 1.00 0.00 H new ATOM 0 HG2 ARG A 22 8.965 -0.288 -3.544 1.00 0.00 H new ATOM 0 HG3 ARG A 22 7.856 0.807 -4.345 1.00 0.00 H new ATOM 0 HD2 ARG A 22 9.716 0.579 -5.743 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.800 2.182 -5.039 1.00 0.00 H new ATOM 0 HE ARG A 22 11.760 1.614 -3.929 1.00 0.00 H new ATOM 0 HH11 ARG A 22 10.267 -1.303 -5.277 1.00 0.00 H new ATOM 0 HH12 ARG A 22 11.710 -2.290 -5.018 1.00 0.00 H new ATOM 0 HH21 ARG A 22 13.559 0.362 -3.601 1.00 0.00 H new ATOM 0 HH22 ARG A 22 13.584 -1.343 -4.063 1.00 0.00 H new ATOM 347 N GLU A 23 8.921 -0.334 -0.137 1.00 0.00 N ATOM 348 CA GLU A 23 9.238 -1.630 0.451 1.00 0.00 C ATOM 349 C GLU A 23 8.100 -2.129 1.332 1.00 0.00 C ATOM 350 O GLU A 23 7.825 -3.328 1.388 1.00 0.00 O ATOM 351 CB GLU A 23 10.533 -1.548 1.261 1.00 0.00 C ATOM 352 CG GLU A 23 11.789 -1.365 0.422 1.00 0.00 C ATOM 353 CD GLU A 23 13.004 -1.182 1.288 1.00 0.00 C ATOM 354 OE1 GLU A 23 12.854 -1.134 2.486 1.00 0.00 O ATOM 355 OE2 GLU A 23 14.093 -1.201 0.763 1.00 0.00 O ATOM 0 H GLU A 23 9.486 0.438 0.216 1.00 0.00 H new ATOM 0 HA GLU A 23 9.374 -2.341 -0.364 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.456 -0.718 1.963 1.00 0.00 H new ATOM 0 HB3 GLU A 23 10.635 -2.458 1.853 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.927 -2.233 -0.223 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.671 -0.499 -0.229 1.00 0.00 H new ATOM 362 N GLU A 24 7.441 -1.203 2.020 1.00 0.00 N ATOM 363 CA GLU A 24 6.292 -1.540 2.852 1.00 0.00 C ATOM 364 C GLU A 24 5.124 -2.027 2.007 1.00 0.00 C ATOM 365 O GLU A 24 4.395 -2.937 2.403 1.00 0.00 O ATOM 366 CB GLU A 24 5.868 -0.333 3.692 1.00 0.00 C ATOM 367 CG GLU A 24 6.835 0.026 4.812 1.00 0.00 C ATOM 368 CD GLU A 24 6.431 1.304 5.493 1.00 0.00 C ATOM 369 OE1 GLU A 24 5.503 1.930 5.039 1.00 0.00 O ATOM 370 OE2 GLU A 24 6.976 1.598 6.531 1.00 0.00 O ATOM 0 H GLU A 24 7.683 -0.212 2.018 1.00 0.00 H new ATOM 0 HA GLU A 24 6.589 -2.349 3.519 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.756 0.530 3.035 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.888 -0.534 4.125 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.867 -0.783 5.542 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.842 0.130 4.407 1.00 0.00 H new ATOM 377 N PHE A 25 4.948 -1.416 0.841 1.00 0.00 N ATOM 378 CA PHE A 25 3.922 -1.845 -0.103 1.00 0.00 C ATOM 379 C PHE A 25 4.205 -3.249 -0.623 1.00 0.00 C ATOM 380 O PHE A 25 3.293 -4.062 -0.770 1.00 0.00 O ATOM 381 CB PHE A 25 3.824 -0.861 -1.270 1.00 0.00 C ATOM 382 CG PHE A 25 2.822 -1.260 -2.316 1.00 0.00 C ATOM 383 CD1 PHE A 25 1.462 -1.205 -2.051 1.00 0.00 C ATOM 384 CD2 PHE A 25 3.238 -1.691 -3.566 1.00 0.00 C ATOM 385 CE1 PHE A 25 0.540 -1.572 -3.013 1.00 0.00 C ATOM 386 CE2 PHE A 25 2.319 -2.057 -4.530 1.00 0.00 C ATOM 387 CZ PHE A 25 0.968 -1.997 -4.253 1.00 0.00 C ATOM 0 H PHE A 25 5.503 -0.621 0.526 1.00 0.00 H new ATOM 0 HA PHE A 25 2.969 -1.863 0.425 1.00 0.00 H new ATOM 0 HB2 PHE A 25 3.559 0.123 -0.883 1.00 0.00 H new ATOM 0 HB3 PHE A 25 4.804 -0.766 -1.737 1.00 0.00 H new ATOM 0 HD1 PHE A 25 1.120 -0.872 -1.082 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.294 -1.741 -3.789 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.516 -1.526 -2.793 1.00 0.00 H new ATOM 0 HE2 PHE A 25 2.657 -2.390 -5.500 1.00 0.00 H new ATOM 0 HZ PHE A 25 0.248 -2.282 -5.006 1.00 0.00 H new ATOM 397 N GLY A 26 5.474 -3.526 -0.900 1.00 0.00 N ATOM 398 CA GLY A 26 5.901 -4.871 -1.269 1.00 0.00 C ATOM 399 C GLY A 26 5.504 -5.886 -0.205 1.00 0.00 C ATOM 400 O GLY A 26 5.084 -6.999 -0.521 1.00 0.00 O ATOM 0 H GLY A 26 6.226 -2.837 -0.876 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.455 -5.148 -2.224 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.982 -4.888 -1.406 1.00 0.00 H new ATOM 404 N ASP A 27 5.642 -5.496 1.058 1.00 0.00 N ATOM 405 CA ASP A 27 5.215 -6.337 2.170 1.00 0.00 C ATOM 406 C ASP A 27 3.703 -6.517 2.176 1.00 0.00 C ATOM 407 O ASP A 27 3.199 -7.618 2.395 1.00 0.00 O ATOM 408 CB ASP A 27 5.679 -5.741 3.501 1.00 0.00 C ATOM 409 CG ASP A 27 7.174 -5.873 3.762 1.00 0.00 C ATOM 410 OD1 ASP A 27 7.833 -6.541 3.001 1.00 0.00 O ATOM 411 OD2 ASP A 27 7.669 -5.184 4.622 1.00 0.00 O ATOM 0 H ASP A 27 6.047 -4.602 1.337 1.00 0.00 H new ATOM 0 HA ASP A 27 5.674 -7.317 2.042 1.00 0.00 H new ATOM 0 HB2 ASP A 27 5.410 -4.685 3.526 1.00 0.00 H new ATOM 0 HB3 ASP A 27 5.137 -6.227 4.312 1.00 0.00 H new ATOM 416 N ILE A 28 2.982 -5.427 1.933 1.00 0.00 N ATOM 417 CA ILE A 28 1.524 -5.464 1.904 1.00 0.00 C ATOM 418 C ILE A 28 1.018 -6.523 0.934 1.00 0.00 C ATOM 419 O ILE A 28 0.047 -7.224 1.216 1.00 0.00 O ATOM 420 CB ILE A 28 0.932 -4.097 1.513 1.00 0.00 C ATOM 421 CG1 ILE A 28 1.162 -3.076 2.629 1.00 0.00 C ATOM 422 CG2 ILE A 28 -0.551 -4.229 1.204 1.00 0.00 C ATOM 423 CD1 ILE A 28 0.783 -1.662 2.251 1.00 0.00 C ATOM 0 H ILE A 28 3.384 -4.507 1.753 1.00 0.00 H new ATOM 0 HA ILE A 28 1.197 -5.716 2.913 1.00 0.00 H new ATOM 0 HB ILE A 28 1.439 -3.744 0.615 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.587 -3.374 3.506 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.213 -3.096 2.916 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.954 -3.254 0.930 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -0.690 -4.925 0.377 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.074 -4.603 2.084 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.974 -0.997 3.093 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.376 -1.343 1.394 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.275 -1.626 1.993 1.00 0.00 H new ATOM 435 N ILE A 29 1.683 -6.634 -0.212 1.00 0.00 N ATOM 436 CA ILE A 29 1.341 -7.651 -1.199 1.00 0.00 C ATOM 437 C ILE A 29 1.431 -9.050 -0.604 1.00 0.00 C ATOM 438 O ILE A 29 0.603 -9.914 -0.897 1.00 0.00 O ATOM 439 CB ILE A 29 2.256 -7.569 -2.435 1.00 0.00 C ATOM 440 CG1 ILE A 29 2.063 -6.232 -3.155 1.00 0.00 C ATOM 441 CG2 ILE A 29 1.982 -8.730 -3.378 1.00 0.00 C ATOM 442 CD1 ILE A 29 0.635 -5.964 -3.571 1.00 0.00 C ATOM 0 H ILE A 29 2.462 -6.032 -0.479 1.00 0.00 H new ATOM 0 HA ILE A 29 0.313 -7.457 -1.506 1.00 0.00 H new ATOM 0 HB ILE A 29 3.292 -7.634 -2.104 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.399 -5.426 -2.502 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.699 -6.211 -4.040 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.637 -8.656 -4.246 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.169 -9.671 -2.861 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.943 -8.696 -3.704 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.578 -4.999 -4.075 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.301 -6.748 -4.250 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.005 -5.951 -2.689 1.00 0.00 H new ATOM 454 N ARG A 30 2.439 -9.268 0.233 1.00 0.00 N ATOM 455 CA ARG A 30 2.618 -10.553 0.898 1.00 0.00 C ATOM 456 C ARG A 30 1.661 -10.702 2.074 1.00 0.00 C ATOM 457 O ARG A 30 1.320 -11.818 2.471 1.00 0.00 O ATOM 458 CB ARG A 30 4.061 -10.783 1.322 1.00 0.00 C ATOM 459 CG ARG A 30 5.051 -10.917 0.176 1.00 0.00 C ATOM 460 CD ARG A 30 6.442 -11.221 0.600 1.00 0.00 C ATOM 461 NE ARG A 30 7.083 -10.161 1.363 1.00 0.00 N ATOM 462 CZ ARG A 30 8.291 -10.267 1.951 1.00 0.00 C ATOM 463 NH1 ARG A 30 8.973 -11.389 1.901 1.00 0.00 N ATOM 464 NH2 ARG A 30 8.761 -9.217 2.604 1.00 0.00 N ATOM 0 H ARG A 30 3.145 -8.571 0.467 1.00 0.00 H new ATOM 0 HA ARG A 30 2.376 -11.327 0.170 1.00 0.00 H new ATOM 0 HB2 ARG A 30 4.374 -9.955 1.958 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.106 -11.687 1.930 1.00 0.00 H new ATOM 0 HG2 ARG A 30 4.708 -11.705 -0.494 1.00 0.00 H new ATOM 0 HG3 ARG A 30 5.053 -9.990 -0.397 1.00 0.00 H new ATOM 0 HD2 ARG A 30 6.435 -12.131 1.200 1.00 0.00 H new ATOM 0 HD3 ARG A 30 7.042 -11.428 -0.286 1.00 0.00 H new ATOM 0 HE ARG A 30 6.584 -9.277 1.460 1.00 0.00 H new ATOM 0 HH11 ARG A 30 8.590 -12.198 1.411 1.00 0.00 H new ATOM 0 HH12 ARG A 30 9.886 -11.451 2.352 1.00 0.00 H new ATOM 0 HH21 ARG A 30 8.212 -8.359 2.652 1.00 0.00 H new ATOM 0 HH22 ARG A 30 9.672 -9.266 3.060 1.00 0.00 H new ATOM 478 N LEU A 31 1.231 -9.574 2.628 1.00 0.00 N ATOM 479 CA LEU A 31 0.289 -9.577 3.741 1.00 0.00 C ATOM 480 C LEU A 31 -1.128 -9.865 3.262 1.00 0.00 C ATOM 481 O LEU A 31 -1.952 -10.390 4.011 1.00 0.00 O ATOM 482 CB LEU A 31 0.340 -8.236 4.482 1.00 0.00 C ATOM 483 CG LEU A 31 1.654 -7.947 5.220 1.00 0.00 C ATOM 484 CD1 LEU A 31 1.640 -6.531 5.777 1.00 0.00 C ATOM 485 CD2 LEU A 31 1.844 -8.965 6.336 1.00 0.00 C ATOM 0 H LEU A 31 1.520 -8.644 2.324 1.00 0.00 H new ATOM 0 HA LEU A 31 0.579 -10.372 4.428 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.161 -7.435 3.764 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.477 -8.206 5.203 1.00 0.00 H new ATOM 0 HG LEU A 31 2.488 -8.030 4.524 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.577 -6.336 6.299 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.525 -5.819 4.959 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.808 -6.422 6.472 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.777 -8.760 6.860 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.012 -8.897 7.036 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.879 -9.968 5.911 1.00 0.00 H new ATOM 497 N THR A 32 -1.407 -9.518 2.010 1.00 0.00 N ATOM 498 CA THR A 32 -2.704 -9.801 1.407 1.00 0.00 C ATOM 499 C THR A 32 -2.691 -11.138 0.676 1.00 0.00 C ATOM 500 O THR A 32 -3.743 -11.683 0.343 1.00 0.00 O ATOM 501 CB THR A 32 -3.122 -8.694 0.422 1.00 0.00 C ATOM 502 OG1 THR A 32 -2.142 -8.579 -0.618 1.00 0.00 O ATOM 503 CG2 THR A 32 -3.250 -7.360 1.143 1.00 0.00 C ATOM 0 H THR A 32 -0.751 -9.040 1.392 1.00 0.00 H new ATOM 0 HA THR A 32 -3.427 -9.842 2.222 1.00 0.00 H new ATOM 0 HB THR A 32 -4.088 -8.958 -0.008 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.350 -8.117 -0.272 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.546 -6.589 0.432 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.004 -7.440 1.926 1.00 0.00 H new ATOM 0 HG23 THR A 32 -2.292 -7.094 1.589 1.00 0.00 H new ATOM 511 N GLY A 33 -1.495 -11.661 0.431 1.00 0.00 N ATOM 512 CA GLY A 33 -1.344 -12.988 -0.154 1.00 0.00 C ATOM 513 C GLY A 33 -1.536 -12.950 -1.664 1.00 0.00 C ATOM 514 O GLY A 33 -2.090 -13.879 -2.252 1.00 0.00 O ATOM 0 H GLY A 33 -0.615 -11.185 0.629 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.354 -13.381 0.079 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.070 -13.669 0.290 1.00 0.00 H new ATOM 518 N GLU A 34 -1.074 -11.872 -2.287 1.00 0.00 N ATOM 519 CA GLU A 34 -1.171 -11.722 -3.734 1.00 0.00 C ATOM 520 C GLU A 34 0.150 -12.059 -4.413 1.00 0.00 C ATOM 521 O GLU A 34 1.221 -11.862 -3.841 1.00 0.00 O ATOM 522 CB GLU A 34 -1.601 -10.299 -4.097 1.00 0.00 C ATOM 523 CG GLU A 34 -3.002 -9.926 -3.632 1.00 0.00 C ATOM 524 CD GLU A 34 -4.038 -10.830 -4.240 1.00 0.00 C ATOM 525 OE1 GLU A 34 -4.078 -10.931 -5.442 1.00 0.00 O ATOM 526 OE2 GLU A 34 -4.713 -11.507 -3.500 1.00 0.00 O ATOM 0 H GLU A 34 -0.628 -11.088 -1.812 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.926 -12.422 -4.092 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.889 -9.596 -3.665 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.548 -10.182 -5.179 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.055 -9.988 -2.545 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.214 -8.892 -3.903 1.00 0.00 H new ATOM 533 N GLN A 35 0.067 -12.569 -5.638 1.00 0.00 N ATOM 534 CA GLN A 35 1.255 -12.950 -6.391 1.00 0.00 C ATOM 535 C GLN A 35 1.631 -11.876 -7.405 1.00 0.00 C ATOM 536 O GLN A 35 1.097 -11.841 -8.513 1.00 0.00 O ATOM 537 CB GLN A 35 1.031 -14.282 -7.109 1.00 0.00 C ATOM 538 CG GLN A 35 0.780 -15.456 -6.179 1.00 0.00 C ATOM 539 CD GLN A 35 1.970 -15.751 -5.286 1.00 0.00 C ATOM 540 OE1 GLN A 35 3.097 -15.912 -5.762 1.00 0.00 O ATOM 541 NE2 GLN A 35 1.727 -15.825 -3.982 1.00 0.00 N ATOM 0 H GLN A 35 -0.812 -12.728 -6.130 1.00 0.00 H new ATOM 0 HA GLN A 35 2.076 -13.059 -5.682 1.00 0.00 H new ATOM 0 HB2 GLN A 35 0.181 -14.180 -7.784 1.00 0.00 H new ATOM 0 HB3 GLN A 35 1.903 -14.501 -7.725 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -0.092 -15.246 -5.560 1.00 0.00 H new ATOM 0 HG3 GLN A 35 0.545 -16.341 -6.771 1.00 0.00 H new ATOM 0 HE21 GLN A 35 0.780 -15.685 -3.631 1.00 0.00 H new ATOM 0 HE22 GLN A 35 2.488 -16.022 -3.332 1.00 0.00 H new ATOM 550 N LEU A 36 2.555 -11.003 -7.018 1.00 0.00 N ATOM 551 CA LEU A 36 3.011 -9.932 -7.896 1.00 0.00 C ATOM 552 C LEU A 36 4.486 -10.095 -8.243 1.00 0.00 C ATOM 553 O LEU A 36 5.254 -10.676 -7.475 1.00 0.00 O ATOM 554 CB LEU A 36 2.765 -8.567 -7.241 1.00 0.00 C ATOM 555 CG LEU A 36 1.414 -7.919 -7.569 1.00 0.00 C ATOM 556 CD1 LEU A 36 0.291 -8.672 -6.870 1.00 0.00 C ATOM 557 CD2 LEU A 36 1.434 -6.459 -7.140 1.00 0.00 C ATOM 0 H LEU A 36 3.003 -11.016 -6.102 1.00 0.00 H new ATOM 0 HA LEU A 36 2.439 -9.988 -8.822 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.842 -8.682 -6.160 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.560 -7.887 -7.547 1.00 0.00 H new ATOM 0 HG LEU A 36 1.238 -7.966 -8.644 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.664 -8.205 -7.109 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.282 -9.708 -7.208 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.450 -8.643 -5.792 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.474 -5.998 -7.373 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.615 -6.398 -6.067 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.227 -5.934 -7.672 1.00 0.00 H new ATOM 569 N THR A 37 4.876 -9.581 -9.404 1.00 0.00 N ATOM 570 CA THR A 37 6.285 -9.494 -9.769 1.00 0.00 C ATOM 571 C THR A 37 6.920 -8.224 -9.218 1.00 0.00 C ATOM 572 O THR A 37 6.229 -7.350 -8.694 1.00 0.00 O ATOM 573 CB THR A 37 6.476 -9.530 -11.297 1.00 0.00 C ATOM 574 OG1 THR A 37 5.932 -8.337 -11.878 1.00 0.00 O ATOM 575 CG2 THR A 37 5.779 -10.744 -11.894 1.00 0.00 C ATOM 0 H THR A 37 4.235 -9.218 -10.110 1.00 0.00 H new ATOM 0 HA THR A 37 6.777 -10.362 -9.330 1.00 0.00 H new ATOM 0 HB THR A 37 7.542 -9.594 -11.513 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.056 -8.361 -12.850 1.00 0.00 H new ATOM 0 HG21 THR A 37 5.925 -10.753 -12.974 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.199 -11.653 -11.464 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.713 -10.697 -11.672 1.00 0.00 H new ATOM 583 N ASP A 38 8.239 -8.128 -9.339 1.00 0.00 N ATOM 584 CA ASP A 38 8.961 -6.929 -8.929 1.00 0.00 C ATOM 585 C ASP A 38 8.483 -5.707 -9.704 1.00 0.00 C ATOM 586 O ASP A 38 8.425 -4.602 -9.165 1.00 0.00 O ATOM 587 CB ASP A 38 10.467 -7.118 -9.121 1.00 0.00 C ATOM 588 CG ASP A 38 11.119 -8.051 -8.110 1.00 0.00 C ATOM 589 OD1 ASP A 38 10.484 -8.372 -7.133 1.00 0.00 O ATOM 590 OD2 ASP A 38 12.177 -8.558 -8.396 1.00 0.00 O ATOM 0 H ASP A 38 8.831 -8.867 -9.718 1.00 0.00 H new ATOM 0 HA ASP A 38 8.758 -6.763 -7.871 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.647 -7.506 -10.124 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.953 -6.144 -9.064 1.00 0.00 H new ATOM 595 N GLU A 39 8.143 -5.913 -10.972 1.00 0.00 N ATOM 596 CA GLU A 39 7.621 -4.839 -11.809 1.00 0.00 C ATOM 597 C GLU A 39 6.196 -4.475 -11.412 1.00 0.00 C ATOM 598 O GLU A 39 5.825 -3.301 -11.399 1.00 0.00 O ATOM 599 CB GLU A 39 7.670 -5.238 -13.286 1.00 0.00 C ATOM 600 CG GLU A 39 9.074 -5.337 -13.863 1.00 0.00 C ATOM 601 CD GLU A 39 9.046 -5.827 -15.284 1.00 0.00 C ATOM 602 OE1 GLU A 39 7.983 -6.135 -15.766 1.00 0.00 O ATOM 603 OE2 GLU A 39 10.070 -5.790 -15.925 1.00 0.00 O ATOM 0 H GLU A 39 8.220 -6.815 -11.443 1.00 0.00 H new ATOM 0 HA GLU A 39 8.251 -3.963 -11.658 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.172 -6.200 -13.407 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.102 -4.510 -13.866 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.556 -4.360 -13.822 1.00 0.00 H new ATOM 0 HG3 GLU A 39 9.673 -6.014 -13.254 1.00 0.00 H new ATOM 610 N ASP A 40 5.400 -5.489 -11.088 1.00 0.00 N ATOM 611 CA ASP A 40 4.025 -5.274 -10.652 1.00 0.00 C ATOM 612 C ASP A 40 3.973 -4.391 -9.411 1.00 0.00 C ATOM 613 O ASP A 40 3.180 -3.452 -9.339 1.00 0.00 O ATOM 614 CB ASP A 40 3.335 -6.612 -10.374 1.00 0.00 C ATOM 615 CG ASP A 40 3.037 -7.436 -11.619 1.00 0.00 C ATOM 616 OD1 ASP A 40 3.072 -6.886 -12.694 1.00 0.00 O ATOM 617 OD2 ASP A 40 2.932 -8.634 -11.503 1.00 0.00 O ATOM 0 H ASP A 40 5.684 -6.468 -11.119 1.00 0.00 H new ATOM 0 HA ASP A 40 3.496 -4.764 -11.457 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.965 -7.200 -9.706 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.400 -6.422 -9.846 1.00 0.00 H new ATOM 622 N VAL A 41 4.821 -4.698 -8.436 1.00 0.00 N ATOM 623 CA VAL A 41 4.819 -3.983 -7.166 1.00 0.00 C ATOM 624 C VAL A 41 5.212 -2.524 -7.354 1.00 0.00 C ATOM 625 O VAL A 41 4.538 -1.620 -6.859 1.00 0.00 O ATOM 626 CB VAL A 41 5.775 -4.635 -6.149 1.00 0.00 C ATOM 627 CG1 VAL A 41 5.913 -3.761 -4.912 1.00 0.00 C ATOM 628 CG2 VAL A 41 5.281 -6.022 -5.767 1.00 0.00 C ATOM 0 H VAL A 41 5.520 -5.438 -8.501 1.00 0.00 H new ATOM 0 HA VAL A 41 3.801 -4.034 -6.779 1.00 0.00 H new ATOM 0 HB VAL A 41 6.756 -4.734 -6.613 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.592 -4.237 -4.204 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.310 -2.787 -5.197 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.936 -3.632 -4.447 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.968 -6.468 -5.048 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.289 -5.945 -5.321 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.231 -6.648 -6.658 1.00 0.00 H new ATOM 638 N ASP A 42 6.307 -2.299 -8.073 1.00 0.00 N ATOM 639 CA ASP A 42 6.837 -0.954 -8.262 1.00 0.00 C ATOM 640 C ASP A 42 5.925 -0.124 -9.157 1.00 0.00 C ATOM 641 O ASP A 42 5.735 1.071 -8.928 1.00 0.00 O ATOM 642 CB ASP A 42 8.246 -1.011 -8.856 1.00 0.00 C ATOM 643 CG ASP A 42 9.318 -1.490 -7.887 1.00 0.00 C ATOM 644 OD1 ASP A 42 9.041 -1.563 -6.713 1.00 0.00 O ATOM 645 OD2 ASP A 42 10.348 -1.928 -8.341 1.00 0.00 O ATOM 0 H ASP A 42 6.845 -3.032 -8.535 1.00 0.00 H new ATOM 0 HA ASP A 42 6.885 -0.474 -7.284 1.00 0.00 H new ATOM 0 HB2 ASP A 42 8.235 -1.672 -9.723 1.00 0.00 H new ATOM 0 HB3 ASP A 42 8.516 -0.018 -9.216 1.00 0.00 H new ATOM 650 N GLU A 43 5.364 -0.764 -10.177 1.00 0.00 N ATOM 651 CA GLU A 43 4.479 -0.084 -11.115 1.00 0.00 C ATOM 652 C GLU A 43 3.203 0.386 -10.427 1.00 0.00 C ATOM 653 O GLU A 43 2.809 1.545 -10.554 1.00 0.00 O ATOM 654 CB GLU A 43 4.135 -1.002 -12.290 1.00 0.00 C ATOM 655 CG GLU A 43 3.241 -0.365 -13.344 1.00 0.00 C ATOM 656 CD GLU A 43 2.994 -1.306 -14.491 1.00 0.00 C ATOM 657 OE1 GLU A 43 3.510 -2.397 -14.462 1.00 0.00 O ATOM 658 OE2 GLU A 43 2.201 -0.978 -15.341 1.00 0.00 O ATOM 0 H GLU A 43 5.507 -1.754 -10.375 1.00 0.00 H new ATOM 0 HA GLU A 43 5.005 0.792 -11.493 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.061 -1.327 -12.765 1.00 0.00 H new ATOM 0 HB3 GLU A 43 3.643 -1.895 -11.905 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.290 -0.080 -12.894 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.706 0.549 -13.714 1.00 0.00 H new ATOM 665 N ILE A 44 2.563 -0.520 -9.698 1.00 0.00 N ATOM 666 CA ILE A 44 1.332 -0.199 -8.985 1.00 0.00 C ATOM 667 C ILE A 44 1.582 0.828 -7.888 1.00 0.00 C ATOM 668 O ILE A 44 0.769 1.725 -7.666 1.00 0.00 O ATOM 669 CB ILE A 44 0.694 -1.455 -8.365 1.00 0.00 C ATOM 670 CG1 ILE A 44 0.172 -2.386 -9.461 1.00 0.00 C ATOM 671 CG2 ILE A 44 -0.428 -1.067 -7.412 1.00 0.00 C ATOM 672 CD1 ILE A 44 -0.220 -3.759 -8.963 1.00 0.00 C ATOM 0 H ILE A 44 2.876 -1.484 -9.585 1.00 0.00 H new ATOM 0 HA ILE A 44 0.644 0.220 -9.719 1.00 0.00 H new ATOM 0 HB ILE A 44 1.458 -1.987 -7.798 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.692 -1.922 -9.937 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.939 -2.494 -10.228 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.868 -1.967 -6.983 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.027 -0.442 -6.614 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -1.193 -0.513 -7.957 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -0.580 -4.360 -9.798 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.646 -4.244 -8.514 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.010 -3.664 -8.218 1.00 0.00 H new ATOM 684 N PHE A 45 2.712 0.689 -7.203 1.00 0.00 N ATOM 685 CA PHE A 45 3.129 1.669 -6.205 1.00 0.00 C ATOM 686 C PHE A 45 3.179 3.071 -6.799 1.00 0.00 C ATOM 687 O PHE A 45 2.624 4.014 -6.236 1.00 0.00 O ATOM 688 CB PHE A 45 4.493 1.293 -5.625 1.00 0.00 C ATOM 689 CG PHE A 45 5.072 2.338 -4.714 1.00 0.00 C ATOM 690 CD1 PHE A 45 4.692 2.402 -3.381 1.00 0.00 C ATOM 691 CD2 PHE A 45 5.995 3.258 -5.186 1.00 0.00 C ATOM 692 CE1 PHE A 45 5.224 3.363 -2.541 1.00 0.00 C ATOM 693 CE2 PHE A 45 6.529 4.218 -4.348 1.00 0.00 C ATOM 694 CZ PHE A 45 6.142 4.270 -3.024 1.00 0.00 C ATOM 0 H PHE A 45 3.356 -0.093 -7.320 1.00 0.00 H new ATOM 0 HA PHE A 45 2.391 1.666 -5.403 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.398 0.357 -5.075 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.189 1.112 -6.444 1.00 0.00 H new ATOM 0 HD1 PHE A 45 3.973 1.694 -2.996 1.00 0.00 H new ATOM 0 HD2 PHE A 45 6.300 3.224 -6.221 1.00 0.00 H new ATOM 0 HE1 PHE A 45 4.920 3.403 -1.506 1.00 0.00 H new ATOM 0 HE2 PHE A 45 7.249 4.927 -4.729 1.00 0.00 H new ATOM 0 HZ PHE A 45 6.558 5.020 -2.368 1.00 0.00 H new ATOM 704 N GLY A 46 3.848 3.201 -7.939 1.00 0.00 N ATOM 705 CA GLY A 46 3.983 4.492 -8.606 1.00 0.00 C ATOM 706 C GLY A 46 2.629 5.016 -9.069 1.00 0.00 C ATOM 707 O GLY A 46 2.372 6.219 -9.028 1.00 0.00 O ATOM 0 H GLY A 46 4.306 2.428 -8.422 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.441 5.210 -7.925 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.650 4.394 -9.462 1.00 0.00 H new ATOM 711 N ASP A 47 1.768 4.106 -9.511 1.00 0.00 N ATOM 712 CA ASP A 47 0.426 4.470 -9.947 1.00 0.00 C ATOM 713 C ASP A 47 -0.422 4.952 -8.778 1.00 0.00 C ATOM 714 O ASP A 47 -1.249 5.853 -8.926 1.00 0.00 O ATOM 715 CB ASP A 47 -0.255 3.285 -10.637 1.00 0.00 C ATOM 716 CG ASP A 47 0.278 2.977 -12.030 1.00 0.00 C ATOM 717 OD1 ASP A 47 0.986 3.795 -12.568 1.00 0.00 O ATOM 718 OD2 ASP A 47 0.105 1.869 -12.479 1.00 0.00 O ATOM 0 H ASP A 47 1.976 3.110 -9.577 1.00 0.00 H new ATOM 0 HA ASP A 47 0.520 5.289 -10.661 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -0.137 2.400 -10.012 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -1.324 3.486 -10.707 1.00 0.00 H new ATOM 723 N SER A 48 -0.213 4.347 -7.613 1.00 0.00 N ATOM 724 CA SER A 48 -0.928 4.743 -6.405 1.00 0.00 C ATOM 725 C SER A 48 -0.424 6.081 -5.881 1.00 0.00 C ATOM 726 O SER A 48 -1.182 6.856 -5.299 1.00 0.00 O ATOM 727 CB SER A 48 -0.787 3.671 -5.342 1.00 0.00 C ATOM 728 OG SER A 48 -1.392 2.467 -5.723 1.00 0.00 O ATOM 0 H SER A 48 0.446 3.580 -7.480 1.00 0.00 H new ATOM 0 HA SER A 48 -1.983 4.858 -6.655 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.270 3.497 -5.141 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.234 4.022 -4.412 1.00 0.00 H new ATOM 0 HG SER A 48 -0.835 2.019 -6.394 1.00 0.00 H new ATOM 734 N ASP A 49 0.861 6.347 -6.090 1.00 0.00 N ATOM 735 CA ASP A 49 1.449 7.628 -5.717 1.00 0.00 C ATOM 736 C ASP A 49 1.056 8.722 -6.702 1.00 0.00 C ATOM 737 O ASP A 49 1.831 9.078 -7.590 1.00 0.00 O ATOM 738 CB ASP A 49 2.973 7.515 -5.637 1.00 0.00 C ATOM 739 CG ASP A 49 3.670 8.765 -5.116 1.00 0.00 C ATOM 740 OD1 ASP A 49 2.988 9.704 -4.778 1.00 0.00 O ATOM 741 OD2 ASP A 49 4.860 8.717 -4.913 1.00 0.00 O ATOM 0 H ASP A 49 1.516 5.691 -6.516 1.00 0.00 H new ATOM 0 HA ASP A 49 1.062 7.899 -4.735 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.229 6.675 -4.991 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.361 7.284 -6.629 1.00 0.00 H new ATOM 746 N THR A 50 -0.150 9.253 -6.539 1.00 0.00 N ATOM 747 CA THR A 50 -0.681 10.249 -7.461 1.00 0.00 C ATOM 748 C THR A 50 -0.059 11.617 -7.214 1.00 0.00 C ATOM 749 O THR A 50 -0.002 12.455 -8.113 1.00 0.00 O ATOM 750 CB THR A 50 -2.212 10.365 -7.349 1.00 0.00 C ATOM 751 OG1 THR A 50 -2.565 10.824 -6.038 1.00 0.00 O ATOM 752 CG2 THR A 50 -2.869 9.017 -7.604 1.00 0.00 C ATOM 0 H THR A 50 -0.780 9.009 -5.775 1.00 0.00 H new ATOM 0 HA THR A 50 -0.424 9.913 -8.466 1.00 0.00 H new ATOM 0 HB THR A 50 -2.563 11.076 -8.097 1.00 0.00 H new ATOM 0 HG1 THR A 50 -1.826 10.647 -5.419 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.951 9.118 -7.521 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.613 8.671 -8.605 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.514 8.295 -6.869 1.00 0.00 H new ATOM 760 N ASP A 51 0.406 11.836 -5.989 1.00 0.00 N ATOM 761 CA ASP A 51 1.082 13.079 -5.637 1.00 0.00 C ATOM 762 C ASP A 51 2.545 13.050 -6.060 1.00 0.00 C ATOM 763 O ASP A 51 3.234 14.069 -6.016 1.00 0.00 O ATOM 764 CB ASP A 51 0.975 13.342 -4.133 1.00 0.00 C ATOM 765 CG ASP A 51 -0.417 13.739 -3.660 1.00 0.00 C ATOM 766 OD1 ASP A 51 -1.228 14.080 -4.488 1.00 0.00 O ATOM 767 OD2 ASP A 51 -0.706 13.550 -2.503 1.00 0.00 O ATOM 0 H ASP A 51 0.327 11.168 -5.222 1.00 0.00 H new ATOM 0 HA ASP A 51 0.588 13.889 -6.174 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.285 12.445 -3.597 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.676 14.132 -3.864 1.00 0.00 H new ATOM 772 N LYS A 52 3.013 11.877 -6.471 1.00 0.00 N ATOM 773 CA LYS A 52 4.393 11.716 -6.916 1.00 0.00 C ATOM 774 C LYS A 52 5.373 12.188 -5.850 1.00 0.00 C ATOM 775 O LYS A 52 6.338 12.891 -6.149 1.00 0.00 O ATOM 776 CB LYS A 52 4.628 12.477 -8.221 1.00 0.00 C ATOM 777 CG LYS A 52 3.761 12.013 -9.384 1.00 0.00 C ATOM 778 CD LYS A 52 4.048 12.818 -10.644 1.00 0.00 C ATOM 779 CE LYS A 52 3.143 12.394 -11.791 1.00 0.00 C ATOM 780 NZ LYS A 52 3.351 13.231 -13.002 1.00 0.00 N ATOM 0 H LYS A 52 2.457 11.023 -6.505 1.00 0.00 H new ATOM 0 HA LYS A 52 4.565 10.654 -7.091 1.00 0.00 H new ATOM 0 HB2 LYS A 52 4.445 13.537 -8.047 1.00 0.00 H new ATOM 0 HB3 LYS A 52 5.676 12.377 -8.502 1.00 0.00 H new ATOM 0 HG2 LYS A 52 3.942 10.956 -9.576 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.709 12.113 -9.118 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.906 13.879 -10.440 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.091 12.685 -10.933 1.00 0.00 H new ATOM 0 HE2 LYS A 52 3.333 11.349 -12.035 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.102 12.464 -11.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.715 12.909 -13.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 3.145 14.225 -12.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 4.338 13.145 -13.318 1.00 0.00 H new ATOM 794 N ASN A 53 5.120 11.798 -4.605 1.00 0.00 N ATOM 795 CA ASN A 53 5.952 12.221 -3.485 1.00 0.00 C ATOM 796 C ASN A 53 6.973 11.151 -3.122 1.00 0.00 C ATOM 797 O ASN A 53 7.787 11.339 -2.218 1.00 0.00 O ATOM 798 CB ASN A 53 5.111 12.578 -2.273 1.00 0.00 C ATOM 799 CG ASN A 53 4.324 13.849 -2.435 1.00 0.00 C ATOM 800 OD1 ASN A 53 4.714 14.754 -3.182 1.00 0.00 O ATOM 801 ND2 ASN A 53 3.263 13.956 -1.677 1.00 0.00 N ATOM 0 H ASN A 53 4.344 11.189 -4.346 1.00 0.00 H new ATOM 0 HA ASN A 53 6.488 13.115 -3.802 1.00 0.00 H new ATOM 0 HB2 ASN A 53 4.422 11.759 -2.066 1.00 0.00 H new ATOM 0 HB3 ASN A 53 5.763 12.673 -1.405 1.00 0.00 H new ATOM 0 HD21 ASN A 53 2.715 14.816 -1.685 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.984 13.179 -1.078 1.00 0.00 H new ATOM 808 N GLY A 54 6.925 10.030 -3.832 1.00 0.00 N ATOM 809 CA GLY A 54 7.793 8.896 -3.533 1.00 0.00 C ATOM 810 C GLY A 54 7.205 8.030 -2.426 1.00 0.00 C ATOM 811 O GLY A 54 7.939 7.416 -1.650 1.00 0.00 O ATOM 0 H GLY A 54 6.294 9.881 -4.619 1.00 0.00 H new ATOM 0 HA2 GLY A 54 7.934 8.296 -4.432 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.777 9.257 -3.233 1.00 0.00 H new ATOM 815 N ARG A 55 5.879 7.985 -2.358 1.00 0.00 N ATOM 816 CA ARG A 55 5.192 7.355 -1.236 1.00 0.00 C ATOM 817 C ARG A 55 3.691 7.274 -1.486 1.00 0.00 C ATOM 818 O ARG A 55 3.140 8.050 -2.266 1.00 0.00 O ATOM 819 CB ARG A 55 5.500 8.043 0.086 1.00 0.00 C ATOM 820 CG ARG A 55 5.021 9.483 0.184 1.00 0.00 C ATOM 821 CD ARG A 55 5.324 10.142 1.480 1.00 0.00 C ATOM 822 NE ARG A 55 5.015 11.562 1.521 1.00 0.00 N ATOM 823 CZ ARG A 55 3.799 12.072 1.797 1.00 0.00 C ATOM 824 NH1 ARG A 55 2.769 11.288 2.019 1.00 0.00 N ATOM 825 NH2 ARG A 55 3.664 13.387 1.815 1.00 0.00 N ATOM 0 H ARG A 55 5.258 8.377 -3.066 1.00 0.00 H new ATOM 0 HA ARG A 55 5.574 6.337 -1.157 1.00 0.00 H new ATOM 0 HB2 ARG A 55 5.045 7.468 0.893 1.00 0.00 H new ATOM 0 HB3 ARG A 55 6.578 8.022 0.248 1.00 0.00 H new ATOM 0 HG2 ARG A 55 5.478 10.061 -0.619 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.944 9.507 0.021 1.00 0.00 H new ATOM 0 HD2 ARG A 55 4.765 9.638 2.269 1.00 0.00 H new ATOM 0 HD3 ARG A 55 6.382 10.007 1.703 1.00 0.00 H new ATOM 0 HE ARG A 55 5.772 12.218 1.327 1.00 0.00 H new ATOM 0 HH11 ARG A 55 2.882 10.275 1.984 1.00 0.00 H new ATOM 0 HH12 ARG A 55 1.856 11.692 2.227 1.00 0.00 H new ATOM 0 HH21 ARG A 55 4.468 13.985 1.623 1.00 0.00 H new ATOM 0 HH22 ARG A 55 2.756 13.804 2.021 1.00 0.00 H new ATOM 839 N ILE A 56 3.036 6.330 -0.819 1.00 0.00 N ATOM 840 CA ILE A 56 1.583 6.225 -0.870 1.00 0.00 C ATOM 841 C ILE A 56 0.943 6.831 0.372 1.00 0.00 C ATOM 842 O ILE A 56 1.140 6.343 1.485 1.00 0.00 O ATOM 843 CB ILE A 56 1.127 4.761 -1.009 1.00 0.00 C ATOM 844 CG1 ILE A 56 1.644 4.162 -2.320 1.00 0.00 C ATOM 845 CG2 ILE A 56 -0.391 4.667 -0.940 1.00 0.00 C ATOM 846 CD1 ILE A 56 1.406 2.675 -2.448 1.00 0.00 C ATOM 0 H ILE A 56 3.489 5.626 -0.236 1.00 0.00 H new ATOM 0 HA ILE A 56 1.259 6.781 -1.749 1.00 0.00 H new ATOM 0 HB ILE A 56 1.545 4.189 -0.181 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.163 4.671 -3.155 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.713 4.357 -2.401 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.696 3.625 -1.040 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.736 5.056 0.018 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.829 5.252 -1.748 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.799 2.324 -3.402 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.911 2.154 -1.634 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.336 2.472 -2.400 1.00 0.00 H new ATOM 858 N ASP A 57 0.176 7.898 0.176 1.00 0.00 N ATOM 859 CA ASP A 57 -0.486 8.580 1.282 1.00 0.00 C ATOM 860 C ASP A 57 -1.683 7.783 1.783 1.00 0.00 C ATOM 861 O ASP A 57 -2.060 6.772 1.191 1.00 0.00 O ATOM 862 CB ASP A 57 -0.928 9.983 0.859 1.00 0.00 C ATOM 863 CG ASP A 57 -1.019 10.985 2.002 1.00 0.00 C ATOM 864 OD1 ASP A 57 -0.839 10.589 3.129 1.00 0.00 O ATOM 865 OD2 ASP A 57 -1.110 12.159 1.731 1.00 0.00 O ATOM 0 H ASP A 57 -0.003 8.310 -0.740 1.00 0.00 H new ATOM 0 HA ASP A 57 0.232 8.666 2.098 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.228 10.362 0.114 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.902 9.913 0.375 1.00 0.00 H new ATOM 870 N PHE A 58 -2.278 8.244 2.877 1.00 0.00 N ATOM 871 CA PHE A 58 -3.446 7.586 3.450 1.00 0.00 C ATOM 872 C PHE A 58 -4.607 7.567 2.463 1.00 0.00 C ATOM 873 O PHE A 58 -5.219 6.524 2.229 1.00 0.00 O ATOM 874 CB PHE A 58 -3.868 8.279 4.746 1.00 0.00 C ATOM 875 CG PHE A 58 -5.090 7.679 5.384 1.00 0.00 C ATOM 876 CD1 PHE A 58 -5.005 6.495 6.101 1.00 0.00 C ATOM 877 CD2 PHE A 58 -6.326 8.299 5.268 1.00 0.00 C ATOM 878 CE1 PHE A 58 -6.128 5.943 6.688 1.00 0.00 C ATOM 879 CE2 PHE A 58 -7.449 7.750 5.854 1.00 0.00 C ATOM 880 CZ PHE A 58 -7.350 6.570 6.564 1.00 0.00 C ATOM 0 H PHE A 58 -1.970 9.073 3.386 1.00 0.00 H new ATOM 0 HA PHE A 58 -3.172 6.555 3.673 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.041 8.237 5.455 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.057 9.332 4.539 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -4.051 5.999 6.202 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -6.410 9.222 4.713 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -6.048 5.020 7.244 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -8.405 8.243 5.757 1.00 0.00 H new ATOM 0 HZ PHE A 58 -8.228 6.139 7.022 1.00 0.00 H new ATOM 890 N ASP A 59 -4.906 8.726 1.888 1.00 0.00 N ATOM 891 CA ASP A 59 -5.970 8.837 0.896 1.00 0.00 C ATOM 892 C ASP A 59 -5.654 8.012 -0.344 1.00 0.00 C ATOM 893 O ASP A 59 -6.537 7.373 -0.917 1.00 0.00 O ATOM 894 CB ASP A 59 -6.193 10.302 0.511 1.00 0.00 C ATOM 895 CG ASP A 59 -6.878 11.137 1.583 1.00 0.00 C ATOM 896 OD1 ASP A 59 -7.389 10.566 2.517 1.00 0.00 O ATOM 897 OD2 ASP A 59 -6.752 12.338 1.543 1.00 0.00 O ATOM 0 H ASP A 59 -4.427 9.603 2.091 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.884 8.445 1.342 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.229 10.754 0.276 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.792 10.339 -0.399 1.00 0.00 H new ATOM 902 N GLU A 60 -4.391 8.029 -0.754 1.00 0.00 N ATOM 903 CA GLU A 60 -3.939 7.212 -1.874 1.00 0.00 C ATOM 904 C GLU A 60 -3.985 5.730 -1.528 1.00 0.00 C ATOM 905 O GLU A 60 -4.216 4.887 -2.396 1.00 0.00 O ATOM 906 CB GLU A 60 -2.522 7.611 -2.291 1.00 0.00 C ATOM 907 CG GLU A 60 -2.424 8.973 -2.964 1.00 0.00 C ATOM 908 CD GLU A 60 -0.992 9.395 -3.138 1.00 0.00 C ATOM 909 OE1 GLU A 60 -0.132 8.754 -2.584 1.00 0.00 O ATOM 910 OE2 GLU A 60 -0.747 10.290 -3.913 1.00 0.00 O ATOM 0 H GLU A 60 -3.661 8.600 -0.327 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.616 7.388 -2.710 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -1.882 7.609 -1.408 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.130 6.854 -2.971 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -2.915 8.937 -3.936 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -2.954 9.715 -2.367 1.00 0.00 H new ATOM 917 N PHE A 61 -3.763 5.417 -0.256 1.00 0.00 N ATOM 918 CA PHE A 61 -3.860 4.043 0.224 1.00 0.00 C ATOM 919 C PHE A 61 -5.293 3.534 0.149 1.00 0.00 C ATOM 920 O PHE A 61 -5.541 2.408 -0.283 1.00 0.00 O ATOM 921 CB PHE A 61 -3.338 3.940 1.658 1.00 0.00 C ATOM 922 CG PHE A 61 -3.494 2.574 2.262 1.00 0.00 C ATOM 923 CD1 PHE A 61 -2.526 1.599 2.067 1.00 0.00 C ATOM 924 CD2 PHE A 61 -4.606 2.259 3.026 1.00 0.00 C ATOM 925 CE1 PHE A 61 -2.668 0.341 2.622 1.00 0.00 C ATOM 926 CE2 PHE A 61 -4.750 1.003 3.584 1.00 0.00 C ATOM 927 CZ PHE A 61 -3.780 0.043 3.381 1.00 0.00 C ATOM 0 H PHE A 61 -3.514 6.097 0.462 1.00 0.00 H new ATOM 0 HA PHE A 61 -3.243 3.418 -0.422 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -2.283 4.215 1.672 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -3.864 4.664 2.280 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -1.652 1.826 1.475 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -5.370 3.005 3.188 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -1.908 -0.409 2.461 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -5.622 0.773 4.179 1.00 0.00 H new ATOM 0 HZ PHE A 61 -3.891 -0.939 3.816 1.00 0.00 H new ATOM 937 N LEU A 62 -6.235 4.369 0.572 1.00 0.00 N ATOM 938 CA LEU A 62 -7.652 4.037 0.480 1.00 0.00 C ATOM 939 C LEU A 62 -8.058 3.745 -0.959 1.00 0.00 C ATOM 940 O LEU A 62 -8.808 2.807 -1.224 1.00 0.00 O ATOM 941 CB LEU A 62 -8.502 5.178 1.054 1.00 0.00 C ATOM 942 CG LEU A 62 -8.909 5.012 2.524 1.00 0.00 C ATOM 943 CD1 LEU A 62 -7.727 4.507 3.339 1.00 0.00 C ATOM 944 CD2 LEU A 62 -9.407 6.344 3.066 1.00 0.00 C ATOM 0 H LEU A 62 -6.043 5.283 0.983 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.827 3.135 1.067 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.948 6.111 0.950 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -9.405 5.275 0.452 1.00 0.00 H new ATOM 0 HG LEU A 62 -9.713 4.279 2.599 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.026 4.392 4.381 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.400 3.544 2.947 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.907 5.223 3.273 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.696 6.227 4.110 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.613 7.087 2.991 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.269 6.674 2.486 1.00 0.00 H new ATOM 956 N LYS A 63 -7.556 4.555 -1.885 1.00 0.00 N ATOM 957 CA LYS A 63 -7.803 4.341 -3.306 1.00 0.00 C ATOM 958 C LYS A 63 -7.081 3.096 -3.807 1.00 0.00 C ATOM 959 O LYS A 63 -7.603 2.360 -4.646 1.00 0.00 O ATOM 960 CB LYS A 63 -7.368 5.563 -4.116 1.00 0.00 C ATOM 961 CG LYS A 63 -8.223 6.802 -3.892 1.00 0.00 C ATOM 962 CD LYS A 63 -7.689 7.992 -4.676 1.00 0.00 C ATOM 963 CE LYS A 63 -8.471 9.259 -4.361 1.00 0.00 C ATOM 964 NZ LYS A 63 -7.903 10.449 -5.051 1.00 0.00 N ATOM 0 H LYS A 63 -6.975 5.367 -1.676 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.874 4.192 -3.440 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.334 5.800 -3.866 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.390 5.308 -5.176 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -9.250 6.597 -4.193 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.245 7.044 -2.829 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.636 8.144 -4.438 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.748 7.782 -5.744 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.511 9.128 -4.661 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.469 9.428 -3.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.464 11.291 -4.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.919 10.590 -4.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.928 10.299 -6.080 1.00 0.00 H new ATOM 978 N MET A 64 -5.879 2.865 -3.290 1.00 0.00 N ATOM 979 CA MET A 64 -5.062 1.739 -3.723 1.00 0.00 C ATOM 980 C MET A 64 -5.714 0.412 -3.358 1.00 0.00 C ATOM 981 O MET A 64 -5.780 -0.505 -4.177 1.00 0.00 O ATOM 982 CB MET A 64 -3.668 1.831 -3.106 1.00 0.00 C ATOM 983 CG MET A 64 -2.741 0.678 -3.469 1.00 0.00 C ATOM 984 SD MET A 64 -2.997 -0.773 -2.430 1.00 0.00 S ATOM 985 CE MET A 64 -2.284 -0.214 -0.885 1.00 0.00 C ATOM 0 H MET A 64 -5.449 3.444 -2.569 1.00 0.00 H new ATOM 0 HA MET A 64 -4.974 1.783 -4.809 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.205 2.766 -3.422 1.00 0.00 H new ATOM 0 HB3 MET A 64 -3.766 1.874 -2.021 1.00 0.00 H new ATOM 0 HG2 MET A 64 -2.898 0.405 -4.512 1.00 0.00 H new ATOM 0 HG3 MET A 64 -1.706 1.007 -3.378 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.585 -0.964 -0.515 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.756 0.726 -1.047 1.00 0.00 H new ATOM 0 HE3 MET A 64 -3.076 -0.064 -0.152 1.00 0.00 H new ATOM 995 N MET A 65 -6.195 0.315 -2.123 1.00 0.00 N ATOM 996 CA MET A 65 -6.779 -0.924 -1.624 1.00 0.00 C ATOM 997 C MET A 65 -8.049 -1.280 -2.386 1.00 0.00 C ATOM 998 O MET A 65 -8.379 -2.455 -2.549 1.00 0.00 O ATOM 999 CB MET A 65 -7.074 -0.804 -0.131 1.00 0.00 C ATOM 1000 CG MET A 65 -5.837 -0.759 0.755 1.00 0.00 C ATOM 1001 SD MET A 65 -4.858 -2.271 0.657 1.00 0.00 S ATOM 1002 CE MET A 65 -5.901 -3.410 1.562 1.00 0.00 C ATOM 0 H MET A 65 -6.192 1.081 -1.449 1.00 0.00 H new ATOM 0 HA MET A 65 -6.057 -1.725 -1.780 1.00 0.00 H new ATOM 0 HB2 MET A 65 -7.660 0.099 0.039 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.693 -1.648 0.173 1.00 0.00 H new ATOM 0 HG2 MET A 65 -5.218 0.090 0.465 1.00 0.00 H new ATOM 0 HG3 MET A 65 -6.141 -0.594 1.789 1.00 0.00 H new ATOM 0 HE1 MET A 65 -5.345 -4.323 1.774 1.00 0.00 H new ATOM 0 HE2 MET A 65 -6.214 -2.950 2.499 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.780 -3.651 0.965 1.00 0.00 H new ATOM 1012 N GLU A 66 -8.761 -0.258 -2.850 1.00 0.00 N ATOM 1013 CA GLU A 66 -9.962 -0.461 -3.651 1.00 0.00 C ATOM 1014 C GLU A 66 -9.611 -0.832 -5.086 1.00 0.00 C ATOM 1015 O GLU A 66 -10.303 -1.629 -5.719 1.00 0.00 O ATOM 1016 CB GLU A 66 -10.838 0.794 -3.631 1.00 0.00 C ATOM 1017 CG GLU A 66 -11.499 1.077 -2.290 1.00 0.00 C ATOM 1018 CD GLU A 66 -12.297 2.351 -2.334 1.00 0.00 C ATOM 1019 OE1 GLU A 66 -12.287 3.002 -3.350 1.00 0.00 O ATOM 1020 OE2 GLU A 66 -13.007 2.615 -1.391 1.00 0.00 O ATOM 0 H GLU A 66 -8.526 0.721 -2.684 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.519 -1.289 -3.212 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.228 1.653 -3.910 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.613 0.693 -4.391 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.151 0.246 -2.020 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.737 1.149 -1.514 1.00 0.00 H new ATOM 1027 N ASN A 67 -8.530 -0.249 -5.595 1.00 0.00 N ATOM 1028 CA ASN A 67 -8.132 -0.453 -6.982 1.00 0.00 C ATOM 1029 C ASN A 67 -7.285 -1.711 -7.133 1.00 0.00 C ATOM 1030 O ASN A 67 -7.165 -2.262 -8.227 1.00 0.00 O ATOM 1031 CB ASN A 67 -7.384 0.750 -7.528 1.00 0.00 C ATOM 1032 CG ASN A 67 -8.252 1.961 -7.730 1.00 0.00 C ATOM 1033 OD1 ASN A 67 -9.472 1.853 -7.905 1.00 0.00 O ATOM 1034 ND2 ASN A 67 -7.620 3.106 -7.789 1.00 0.00 N ATOM 0 H ASN A 67 -7.914 0.369 -5.066 1.00 0.00 H new ATOM 0 HA ASN A 67 -9.046 -0.579 -7.563 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -6.574 1.004 -6.844 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -6.925 0.480 -8.479 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -8.136 3.964 -7.987 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -6.612 3.141 -7.637 1.00 0.00 H new ATOM 1041 N VAL A 68 -6.701 -2.160 -6.027 1.00 0.00 N ATOM 1042 CA VAL A 68 -5.815 -3.318 -6.047 1.00 0.00 C ATOM 1043 C VAL A 68 -6.411 -4.482 -5.266 1.00 0.00 C ATOM 1044 O VAL A 68 -6.478 -4.450 -4.037 1.00 0.00 O ATOM 1045 CB VAL A 68 -4.430 -2.979 -5.463 1.00 0.00 C ATOM 1046 CG1 VAL A 68 -3.535 -4.209 -5.464 1.00 0.00 C ATOM 1047 CG2 VAL A 68 -3.782 -1.850 -6.250 1.00 0.00 C ATOM 0 H VAL A 68 -6.825 -1.740 -5.106 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.700 -3.606 -7.092 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.563 -2.650 -4.432 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -2.561 -3.951 -5.048 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -3.992 -4.992 -4.859 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.410 -4.567 -6.486 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.805 -1.624 -5.824 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.663 -2.153 -7.290 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.414 -0.963 -6.201 1.00 0.00 H new ATOM 1057 N GLN A 69 -6.845 -5.510 -5.987 1.00 0.00 N ATOM 1058 CA GLN A 69 -7.436 -6.688 -5.364 1.00 0.00 C ATOM 1059 C GLN A 69 -6.386 -7.499 -4.615 1.00 0.00 C ATOM 1060 O GLN A 69 -6.033 -7.158 -3.520 1.00 0.00 O ATOM 1061 CB GLN A 69 -8.115 -7.569 -6.417 1.00 0.00 C ATOM 1062 CG GLN A 69 -8.807 -8.795 -5.850 1.00 0.00 C ATOM 1063 CD GLN A 69 -9.618 -9.537 -6.895 1.00 0.00 C ATOM 1064 OE1 GLN A 69 -9.692 -9.122 -8.055 1.00 0.00 O ATOM 1065 NE2 GLN A 69 -10.237 -10.641 -6.490 1.00 0.00 N ATOM 1066 OXT GLN A 69 -5.914 -8.481 -5.120 1.00 0.00 O ATOM 0 H GLN A 69 -6.798 -5.551 -7.005 1.00 0.00 H new ATOM 0 HA GLN A 69 -8.183 -6.344 -4.649 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -8.847 -6.970 -6.958 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -7.368 -7.890 -7.142 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -8.060 -9.468 -5.429 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -9.462 -8.494 -5.033 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -10.149 -10.949 -5.522 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -10.800 -11.181 -7.148 1.00 0.00 H new TER 1075 GLN A 69