USER MOD reduce.3.24.130724 H: found=0, std=0, add=476, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 475 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 36 LYS NZ :NH3+ -165:sc= 1.2 (180deg=0.984) USER MOD Set 1.2: A 62 GLN : amide:sc= 1.47 K(o=2.7,f=0.64) USER MOD Single : A 1 GLY N :NH3+ -120:sc= 0.145 (180deg=0) USER MOD Single : A 3 MET CE :methyl 177:sc= -0.235 (180deg=-0.267) USER MOD Single : A 6 LYS NZ :NH3+ -168:sc= -0.0136 (180deg=-0.148) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot 180:sc= -4.11! USER MOD Single : A 11 THR OG1 : rot 178:sc= 2.62 USER MOD Single : A 15 TYR OH : rot -109:sc= 1.26 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot -37:sc= 0.263 USER MOD Single : A 19 ASN : amide:sc= 0.392 K(o=0.39,f=-2.1) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.174 USER MOD Single : A 32 HIS : no HE2:sc= 0.248 K(o=0.25,f=-1.8) USER MOD Single : A 35 SER OG : rot -3:sc= 0.217 USER MOD Single : A 38 THR OG1 : rot -108:sc= -0.193 USER MOD Single : A 45 LYS NZ :NH3+ 149:sc= 1.28 (180deg=0.786) USER MOD Single : A 49 ASN : amide:sc= 0.844 K(o=0.84,f=-7.4!) USER MOD Single : A 51 LYS NZ :NH3+ 159:sc= -0.151 (180deg=-0.872) USER MOD Single : A 58 ASN : amide:sc= -0.0375 K(o=-0.038,f=-0.58) USER MOD Single : A 64 SER OG : rot 180:sc= -0.0675 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.553 -12.155 -2.338 1.00 0.00 N ATOM 2 CA GLY A 1 -10.582 -11.264 -1.715 1.00 0.00 C ATOM 3 C GLY A 1 -11.219 -9.961 -1.339 1.00 0.00 C ATOM 4 O GLY A 1 -12.409 -9.757 -1.602 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.635 -13.026 -1.776 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.479 -11.683 -2.383 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.239 -12.392 -3.301 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.163 -11.739 -0.828 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.754 -11.085 -2.401 1.00 0.00 H new ATOM 10 N ALA A 2 -10.456 -9.066 -0.747 1.00 0.00 N ATOM 11 CA ALA A 2 -10.994 -7.806 -0.305 1.00 0.00 C ATOM 12 C ALA A 2 -10.909 -6.779 -1.402 1.00 0.00 C ATOM 13 O ALA A 2 -9.955 -6.003 -1.474 1.00 0.00 O ATOM 14 CB ALA A 2 -10.323 -7.305 0.969 1.00 0.00 C ATOM 0 H ALA A 2 -9.461 -9.192 -0.563 1.00 0.00 H new ATOM 0 HA ALA A 2 -12.044 -7.970 -0.063 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -10.764 -6.352 1.262 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -10.469 -8.033 1.767 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -9.256 -7.172 0.790 1.00 0.00 H new ATOM 20 N MET A 3 -11.849 -6.866 -2.297 1.00 0.00 N ATOM 21 CA MET A 3 -12.011 -5.921 -3.370 1.00 0.00 C ATOM 22 C MET A 3 -13.320 -5.221 -3.152 1.00 0.00 C ATOM 23 O MET A 3 -14.395 -5.770 -3.451 1.00 0.00 O ATOM 24 CB MET A 3 -11.976 -6.618 -4.748 1.00 0.00 C ATOM 25 CG MET A 3 -12.320 -5.708 -5.943 1.00 0.00 C ATOM 26 SD MET A 3 -11.245 -4.259 -6.109 1.00 0.00 S ATOM 27 CE MET A 3 -9.649 -5.040 -6.360 1.00 0.00 C ATOM 0 H MET A 3 -12.543 -7.614 -2.304 1.00 0.00 H new ATOM 0 HA MET A 3 -11.189 -5.206 -3.369 1.00 0.00 H new ATOM 0 HB2 MET A 3 -10.981 -7.036 -4.903 1.00 0.00 H new ATOM 0 HB3 MET A 3 -12.675 -7.455 -4.734 1.00 0.00 H new ATOM 0 HG2 MET A 3 -12.264 -6.295 -6.860 1.00 0.00 H new ATOM 0 HG3 MET A 3 -13.352 -5.371 -5.843 1.00 0.00 H new ATOM 0 HE1 MET A 3 -8.892 -4.274 -6.532 1.00 0.00 H new ATOM 0 HE2 MET A 3 -9.385 -5.620 -5.476 1.00 0.00 H new ATOM 0 HE3 MET A 3 -9.699 -5.701 -7.225 1.00 0.00 H new ATOM 37 N GLY A 4 -13.253 -4.073 -2.559 1.00 0.00 N ATOM 38 CA GLY A 4 -14.436 -3.336 -2.264 1.00 0.00 C ATOM 39 C GLY A 4 -14.654 -2.232 -3.245 1.00 0.00 C ATOM 40 O GLY A 4 -15.656 -2.209 -3.959 1.00 0.00 O ATOM 0 H GLY A 4 -12.385 -3.624 -2.268 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.295 -4.007 -2.273 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.366 -2.921 -1.258 1.00 0.00 H new ATOM 44 N ALA A 5 -13.701 -1.347 -3.331 1.00 0.00 N ATOM 45 CA ALA A 5 -13.797 -0.209 -4.158 1.00 0.00 C ATOM 46 C ALA A 5 -12.397 0.261 -4.480 1.00 0.00 C ATOM 47 O ALA A 5 -11.406 -0.420 -4.167 1.00 0.00 O ATOM 48 CB ALA A 5 -14.574 0.880 -3.416 1.00 0.00 C ATOM 0 H ALA A 5 -12.825 -1.411 -2.813 1.00 0.00 H new ATOM 0 HA ALA A 5 -14.322 -0.442 -5.084 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -14.654 1.765 -4.048 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -15.572 0.515 -3.175 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -14.050 1.137 -2.495 1.00 0.00 H new ATOM 54 N LYS A 6 -12.313 1.385 -5.095 1.00 0.00 N ATOM 55 CA LYS A 6 -11.050 1.993 -5.416 1.00 0.00 C ATOM 56 C LYS A 6 -10.709 2.919 -4.274 1.00 0.00 C ATOM 57 O LYS A 6 -11.171 4.061 -4.223 1.00 0.00 O ATOM 58 CB LYS A 6 -11.135 2.761 -6.745 1.00 0.00 C ATOM 59 CG LYS A 6 -11.704 1.922 -7.878 1.00 0.00 C ATOM 60 CD LYS A 6 -11.786 2.683 -9.187 1.00 0.00 C ATOM 61 CE LYS A 6 -12.541 1.875 -10.235 1.00 0.00 C ATOM 62 NZ LYS A 6 -11.942 0.541 -10.461 1.00 0.00 N ATOM 0 H LYS A 6 -13.124 1.924 -5.398 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.275 1.237 -5.542 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -11.756 3.646 -6.608 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.140 3.109 -7.022 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -11.083 1.037 -8.016 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -12.699 1.574 -7.602 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -12.287 3.638 -9.027 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -10.782 2.906 -9.547 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -13.578 1.756 -9.920 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -12.555 2.427 -11.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -12.358 0.114 -11.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -10.915 0.639 -10.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -12.132 -0.069 -9.640 1.00 0.00 H new ATOM 76 N GLU A 7 -9.995 2.388 -3.325 1.00 0.00 N ATOM 77 CA GLU A 7 -9.671 3.080 -2.104 1.00 0.00 C ATOM 78 C GLU A 7 -8.248 3.595 -2.175 1.00 0.00 C ATOM 79 O GLU A 7 -7.389 2.982 -2.832 1.00 0.00 O ATOM 80 CB GLU A 7 -9.858 2.119 -0.924 1.00 0.00 C ATOM 81 CG GLU A 7 -11.280 1.574 -0.806 1.00 0.00 C ATOM 82 CD GLU A 7 -11.437 0.542 0.283 1.00 0.00 C ATOM 83 OE1 GLU A 7 -11.706 0.911 1.456 1.00 0.00 O ATOM 84 OE2 GLU A 7 -11.309 -0.656 0.000 1.00 0.00 O ATOM 0 H GLU A 7 -9.612 1.444 -3.375 1.00 0.00 H new ATOM 0 HA GLU A 7 -10.332 3.936 -1.965 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.165 1.285 -1.031 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -9.596 2.635 0.000 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -11.963 2.401 -0.614 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -11.573 1.133 -1.759 1.00 0.00 H new ATOM 91 N TYR A 8 -7.988 4.713 -1.547 1.00 0.00 N ATOM 92 CA TYR A 8 -6.683 5.298 -1.595 1.00 0.00 C ATOM 93 C TYR A 8 -6.150 5.519 -0.204 1.00 0.00 C ATOM 94 O TYR A 8 -6.879 5.934 0.715 1.00 0.00 O ATOM 95 CB TYR A 8 -6.687 6.615 -2.383 1.00 0.00 C ATOM 96 CG TYR A 8 -7.196 6.478 -3.809 1.00 0.00 C ATOM 97 CD1 TYR A 8 -8.554 6.573 -4.099 1.00 0.00 C ATOM 98 CD2 TYR A 8 -6.320 6.236 -4.856 1.00 0.00 C ATOM 99 CE1 TYR A 8 -9.018 6.432 -5.389 1.00 0.00 C ATOM 100 CE2 TYR A 8 -6.778 6.091 -6.147 1.00 0.00 C ATOM 101 CZ TYR A 8 -8.129 6.191 -6.408 1.00 0.00 C ATOM 102 OH TYR A 8 -8.593 6.032 -7.699 1.00 0.00 O ATOM 0 H TYR A 8 -8.669 5.234 -0.996 1.00 0.00 H new ATOM 0 HA TYR A 8 -6.027 4.600 -2.115 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -7.305 7.341 -1.855 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -5.674 7.016 -2.406 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -9.256 6.760 -3.300 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -5.261 6.160 -4.656 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -10.075 6.511 -5.598 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -6.083 5.900 -6.951 1.00 0.00 H new ATOM 0 HH TYR A 8 -7.837 5.870 -8.301 1.00 0.00 H new ATOM 112 N CYS A 9 -4.907 5.245 -0.048 1.00 0.00 N ATOM 113 CA CYS A 9 -4.225 5.407 1.199 1.00 0.00 C ATOM 114 C CYS A 9 -2.959 6.200 0.946 1.00 0.00 C ATOM 115 O CYS A 9 -2.555 6.335 -0.196 1.00 0.00 O ATOM 116 CB CYS A 9 -3.945 4.027 1.817 1.00 0.00 C ATOM 117 SG CYS A 9 -3.236 2.819 0.674 1.00 0.00 S ATOM 0 H CYS A 9 -4.313 4.892 -0.799 1.00 0.00 H new ATOM 0 HA CYS A 9 -4.835 5.956 1.917 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -3.265 4.152 2.660 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -4.877 3.626 2.216 1.00 0.00 H new ATOM 0 HG CYS A 9 -3.039 1.695 1.297 1.00 0.00 H new ATOM 123 N ARG A 10 -2.369 6.762 1.958 1.00 0.00 N ATOM 124 CA ARG A 10 -1.153 7.519 1.770 1.00 0.00 C ATOM 125 C ARG A 10 -0.074 6.904 2.604 1.00 0.00 C ATOM 126 O ARG A 10 -0.349 6.395 3.694 1.00 0.00 O ATOM 127 CB ARG A 10 -1.306 8.979 2.201 1.00 0.00 C ATOM 128 CG ARG A 10 -0.189 9.879 1.674 1.00 0.00 C ATOM 129 CD ARG A 10 -0.023 11.140 2.489 1.00 0.00 C ATOM 130 NE ARG A 10 0.753 10.896 3.724 1.00 0.00 N ATOM 131 CZ ARG A 10 0.973 11.811 4.684 1.00 0.00 C ATOM 132 NH1 ARG A 10 0.369 12.993 4.624 1.00 0.00 N ATOM 133 NH2 ARG A 10 1.796 11.533 5.700 1.00 0.00 N ATOM 0 H ARG A 10 -2.702 6.715 2.921 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.911 7.498 0.707 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.266 9.357 1.849 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.323 9.031 3.290 1.00 0.00 H new ATOM 0 HG2 ARG A 10 0.749 9.325 1.675 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.401 10.146 0.639 1.00 0.00 H new ATOM 0 HD2 ARG A 10 0.479 11.898 1.888 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.004 11.537 2.749 1.00 0.00 H new ATOM 0 HE ARG A 10 1.150 9.966 3.857 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -0.261 13.205 3.850 1.00 0.00 H new ATOM 0 HH12 ARG A 10 0.535 13.688 5.352 1.00 0.00 H new ATOM 0 HH21 ARG A 10 2.259 10.625 5.748 1.00 0.00 H new ATOM 0 HH22 ARG A 10 1.962 12.229 6.427 1.00 0.00 H new ATOM 147 N THR A 11 1.120 6.946 2.111 1.00 0.00 N ATOM 148 CA THR A 11 2.260 6.454 2.814 1.00 0.00 C ATOM 149 C THR A 11 2.588 7.390 3.982 1.00 0.00 C ATOM 150 O THR A 11 2.424 8.628 3.877 1.00 0.00 O ATOM 151 CB THR A 11 3.463 6.401 1.860 1.00 0.00 C ATOM 152 OG1 THR A 11 3.718 7.698 1.318 1.00 0.00 O ATOM 153 CG2 THR A 11 3.204 5.462 0.717 1.00 0.00 C ATOM 0 H THR A 11 1.335 7.330 1.191 1.00 0.00 H new ATOM 0 HA THR A 11 2.045 5.456 3.195 1.00 0.00 H new ATOM 0 HB THR A 11 4.321 6.051 2.434 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.508 7.661 0.739 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.072 5.444 0.057 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.021 4.460 1.104 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.331 5.800 0.159 1.00 0.00 H new ATOM 161 N LEU A 12 2.982 6.829 5.093 1.00 0.00 N ATOM 162 CA LEU A 12 3.411 7.631 6.218 1.00 0.00 C ATOM 163 C LEU A 12 4.911 7.576 6.337 1.00 0.00 C ATOM 164 O LEU A 12 5.527 8.443 6.948 1.00 0.00 O ATOM 165 CB LEU A 12 2.795 7.115 7.511 1.00 0.00 C ATOM 166 CG LEU A 12 1.285 7.203 7.629 1.00 0.00 C ATOM 167 CD1 LEU A 12 0.842 6.537 8.911 1.00 0.00 C ATOM 168 CD2 LEU A 12 0.835 8.656 7.612 1.00 0.00 C ATOM 0 H LEU A 12 3.017 5.821 5.248 1.00 0.00 H new ATOM 0 HA LEU A 12 3.085 8.658 6.052 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.086 6.072 7.634 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.234 7.668 8.341 1.00 0.00 H new ATOM 0 HG LEU A 12 0.831 6.693 6.780 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.243 6.599 8.997 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.146 5.490 8.901 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.303 7.040 9.761 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.251 8.702 7.697 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.288 9.187 8.450 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.145 9.122 6.677 1.00 0.00 H new ATOM 180 N PHE A 13 5.494 6.584 5.721 1.00 0.00 N ATOM 181 CA PHE A 13 6.918 6.361 5.788 1.00 0.00 C ATOM 182 C PHE A 13 7.392 5.899 4.439 1.00 0.00 C ATOM 183 O PHE A 13 6.581 5.394 3.646 1.00 0.00 O ATOM 184 CB PHE A 13 7.247 5.243 6.811 1.00 0.00 C ATOM 185 CG PHE A 13 6.853 5.520 8.237 1.00 0.00 C ATOM 186 CD1 PHE A 13 7.734 6.145 9.098 1.00 0.00 C ATOM 187 CD2 PHE A 13 5.604 5.154 8.713 1.00 0.00 C ATOM 188 CE1 PHE A 13 7.380 6.403 10.403 1.00 0.00 C ATOM 189 CE2 PHE A 13 5.243 5.411 10.018 1.00 0.00 C ATOM 190 CZ PHE A 13 6.133 6.037 10.863 1.00 0.00 C ATOM 0 H PHE A 13 4.993 5.901 5.153 1.00 0.00 H new ATOM 0 HA PHE A 13 7.405 7.288 6.090 1.00 0.00 H new ATOM 0 HB2 PHE A 13 6.753 4.326 6.489 1.00 0.00 H new ATOM 0 HB3 PHE A 13 8.320 5.054 6.781 1.00 0.00 H new ATOM 0 HD1 PHE A 13 8.712 6.435 8.743 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.905 4.661 8.053 1.00 0.00 H new ATOM 0 HE1 PHE A 13 8.079 6.892 11.066 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.266 5.123 10.377 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.854 6.241 11.886 1.00 0.00 H new ATOM 200 N PRO A 14 8.677 6.091 4.124 1.00 0.00 N ATOM 201 CA PRO A 14 9.251 5.512 2.950 1.00 0.00 C ATOM 202 C PRO A 14 9.499 4.042 3.224 1.00 0.00 C ATOM 203 O PRO A 14 10.202 3.677 4.172 1.00 0.00 O ATOM 204 CB PRO A 14 10.578 6.248 2.737 1.00 0.00 C ATOM 205 CG PRO A 14 10.720 7.206 3.873 1.00 0.00 C ATOM 206 CD PRO A 14 9.657 6.878 4.885 1.00 0.00 C ATOM 0 HA PRO A 14 8.612 5.598 2.071 1.00 0.00 H new ATOM 0 HB2 PRO A 14 11.412 5.546 2.715 1.00 0.00 H new ATOM 0 HB3 PRO A 14 10.580 6.775 1.783 1.00 0.00 H new ATOM 0 HG2 PRO A 14 11.711 7.125 4.320 1.00 0.00 H new ATOM 0 HG3 PRO A 14 10.611 8.233 3.523 1.00 0.00 H new ATOM 0 HD2 PRO A 14 10.063 6.309 5.722 1.00 0.00 H new ATOM 0 HD3 PRO A 14 9.209 7.780 5.301 1.00 0.00 H new ATOM 214 N TYR A 15 8.906 3.217 2.445 1.00 0.00 N ATOM 215 CA TYR A 15 9.022 1.809 2.634 1.00 0.00 C ATOM 216 C TYR A 15 9.818 1.232 1.497 1.00 0.00 C ATOM 217 O TYR A 15 9.401 1.292 0.335 1.00 0.00 O ATOM 218 CB TYR A 15 7.644 1.158 2.757 1.00 0.00 C ATOM 219 CG TYR A 15 7.691 -0.315 3.079 1.00 0.00 C ATOM 220 CD1 TYR A 15 8.110 -0.740 4.324 1.00 0.00 C ATOM 221 CD2 TYR A 15 7.318 -1.276 2.149 1.00 0.00 C ATOM 222 CE1 TYR A 15 8.161 -2.072 4.644 1.00 0.00 C ATOM 223 CE2 TYR A 15 7.360 -2.619 2.464 1.00 0.00 C ATOM 224 CZ TYR A 15 7.784 -3.010 3.715 1.00 0.00 C ATOM 225 OH TYR A 15 7.812 -4.347 4.054 1.00 0.00 O ATOM 0 H TYR A 15 8.324 3.493 1.654 1.00 0.00 H new ATOM 0 HA TYR A 15 9.545 1.603 3.568 1.00 0.00 H new ATOM 0 HB2 TYR A 15 7.078 1.672 3.534 1.00 0.00 H new ATOM 0 HB3 TYR A 15 7.102 1.299 1.822 1.00 0.00 H new ATOM 0 HD1 TYR A 15 8.404 -0.008 5.061 1.00 0.00 H new ATOM 0 HD2 TYR A 15 6.991 -0.969 1.167 1.00 0.00 H new ATOM 0 HE1 TYR A 15 8.496 -2.382 5.623 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.063 -3.358 1.735 1.00 0.00 H new ATOM 0 HH TYR A 15 8.546 -4.790 3.579 1.00 0.00 H new ATOM 235 N THR A 16 10.958 0.707 1.822 1.00 0.00 N ATOM 236 CA THR A 16 11.848 0.197 0.832 1.00 0.00 C ATOM 237 C THR A 16 11.708 -1.307 0.709 1.00 0.00 C ATOM 238 O THR A 16 12.038 -2.057 1.641 1.00 0.00 O ATOM 239 CB THR A 16 13.306 0.580 1.159 1.00 0.00 C ATOM 240 OG1 THR A 16 13.384 2.010 1.341 1.00 0.00 O ATOM 241 CG2 THR A 16 14.242 0.171 0.024 1.00 0.00 C ATOM 0 H THR A 16 11.296 0.621 2.781 1.00 0.00 H new ATOM 0 HA THR A 16 11.583 0.645 -0.126 1.00 0.00 H new ATOM 0 HB THR A 16 13.611 0.060 2.067 1.00 0.00 H new ATOM 0 HG1 THR A 16 14.307 2.263 1.551 1.00 0.00 H new ATOM 0 HG21 THR A 16 15.265 0.451 0.277 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.187 -0.908 -0.122 1.00 0.00 H new ATOM 0 HG23 THR A 16 13.944 0.677 -0.894 1.00 0.00 H new ATOM 249 N GLY A 17 11.181 -1.734 -0.409 1.00 0.00 N ATOM 250 CA GLY A 17 11.072 -3.129 -0.680 1.00 0.00 C ATOM 251 C GLY A 17 12.417 -3.689 -1.053 1.00 0.00 C ATOM 252 O GLY A 17 13.159 -3.064 -1.807 1.00 0.00 O ATOM 0 H GLY A 17 10.821 -1.126 -1.145 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.683 -3.648 0.196 1.00 0.00 H new ATOM 0 HA3 GLY A 17 10.362 -3.296 -1.490 1.00 0.00 H new ATOM 256 N THR A 18 12.748 -4.815 -0.513 1.00 0.00 N ATOM 257 CA THR A 18 14.003 -5.470 -0.829 1.00 0.00 C ATOM 258 C THR A 18 13.679 -6.770 -1.567 1.00 0.00 C ATOM 259 O THR A 18 14.556 -7.573 -1.917 1.00 0.00 O ATOM 260 CB THR A 18 14.864 -5.716 0.467 1.00 0.00 C ATOM 261 OG1 THR A 18 16.120 -6.341 0.158 1.00 0.00 O ATOM 262 CG2 THR A 18 14.121 -6.560 1.487 1.00 0.00 C ATOM 0 H THR A 18 12.168 -5.317 0.159 1.00 0.00 H new ATOM 0 HA THR A 18 14.612 -4.833 -1.470 1.00 0.00 H new ATOM 0 HB THR A 18 15.054 -4.733 0.898 1.00 0.00 H new ATOM 0 HG1 THR A 18 15.994 -6.986 -0.569 1.00 0.00 H new ATOM 0 HG21 THR A 18 14.750 -6.706 2.365 1.00 0.00 H new ATOM 0 HG22 THR A 18 13.202 -6.052 1.779 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.878 -7.528 1.050 1.00 0.00 H new ATOM 270 N ASN A 19 12.407 -6.917 -1.832 1.00 0.00 N ATOM 271 CA ASN A 19 11.830 -8.048 -2.498 1.00 0.00 C ATOM 272 C ASN A 19 11.001 -7.514 -3.667 1.00 0.00 C ATOM 273 O ASN A 19 10.557 -6.373 -3.625 1.00 0.00 O ATOM 274 CB ASN A 19 10.957 -8.800 -1.489 1.00 0.00 C ATOM 275 CG ASN A 19 10.158 -9.929 -2.070 1.00 0.00 C ATOM 276 OD1 ASN A 19 10.568 -10.589 -3.013 1.00 0.00 O ATOM 277 ND2 ASN A 19 9.019 -10.152 -1.516 1.00 0.00 N ATOM 0 H ASN A 19 11.714 -6.214 -1.575 1.00 0.00 H new ATOM 0 HA ASN A 19 12.584 -8.736 -2.880 1.00 0.00 H new ATOM 0 HB2 ASN A 19 11.596 -9.194 -0.699 1.00 0.00 H new ATOM 0 HB3 ASN A 19 10.273 -8.091 -1.022 1.00 0.00 H new ATOM 0 HD21 ASN A 19 8.422 -10.903 -1.862 1.00 0.00 H new ATOM 0 HD22 ASN A 19 8.713 -9.578 -0.730 1.00 0.00 H new ATOM 284 N GLU A 20 10.778 -8.324 -4.675 1.00 0.00 N ATOM 285 CA GLU A 20 10.113 -7.876 -5.901 1.00 0.00 C ATOM 286 C GLU A 20 8.594 -7.789 -5.750 1.00 0.00 C ATOM 287 O GLU A 20 7.932 -7.064 -6.494 1.00 0.00 O ATOM 288 CB GLU A 20 10.476 -8.787 -7.053 1.00 0.00 C ATOM 289 CG GLU A 20 11.964 -8.882 -7.293 1.00 0.00 C ATOM 290 CD GLU A 20 12.299 -9.916 -8.307 1.00 0.00 C ATOM 291 OE1 GLU A 20 12.285 -11.111 -7.960 1.00 0.00 O ATOM 292 OE2 GLU A 20 12.578 -9.566 -9.464 1.00 0.00 O ATOM 0 H GLU A 20 11.046 -9.308 -4.680 1.00 0.00 H new ATOM 0 HA GLU A 20 10.468 -6.866 -6.108 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.082 -9.784 -6.857 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.991 -8.426 -7.960 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.340 -7.914 -7.624 1.00 0.00 H new ATOM 0 HG3 GLU A 20 12.468 -9.117 -6.356 1.00 0.00 H new ATOM 299 N ASP A 21 8.029 -8.545 -4.832 1.00 0.00 N ATOM 300 CA ASP A 21 6.579 -8.458 -4.585 1.00 0.00 C ATOM 301 C ASP A 21 6.293 -7.506 -3.434 1.00 0.00 C ATOM 302 O ASP A 21 5.145 -7.182 -3.130 1.00 0.00 O ATOM 303 CB ASP A 21 5.913 -9.836 -4.373 1.00 0.00 C ATOM 304 CG ASP A 21 6.417 -10.595 -3.172 1.00 0.00 C ATOM 305 OD1 ASP A 21 5.894 -10.411 -2.074 1.00 0.00 O ATOM 306 OD2 ASP A 21 7.356 -11.411 -3.315 1.00 0.00 O ATOM 0 H ASP A 21 8.527 -9.217 -4.248 1.00 0.00 H new ATOM 0 HA ASP A 21 6.125 -8.053 -5.489 1.00 0.00 H new ATOM 0 HB2 ASP A 21 4.837 -9.694 -4.272 1.00 0.00 H new ATOM 0 HB3 ASP A 21 6.072 -10.443 -5.264 1.00 0.00 H new ATOM 311 N GLU A 22 7.351 -7.028 -2.835 1.00 0.00 N ATOM 312 CA GLU A 22 7.274 -6.047 -1.791 1.00 0.00 C ATOM 313 C GLU A 22 7.412 -4.694 -2.478 1.00 0.00 C ATOM 314 O GLU A 22 8.444 -4.401 -3.095 1.00 0.00 O ATOM 315 CB GLU A 22 8.398 -6.296 -0.787 1.00 0.00 C ATOM 316 CG GLU A 22 8.422 -5.369 0.405 1.00 0.00 C ATOM 317 CD GLU A 22 9.521 -5.725 1.375 1.00 0.00 C ATOM 318 OE1 GLU A 22 10.703 -5.800 0.967 1.00 0.00 O ATOM 319 OE2 GLU A 22 9.228 -5.966 2.561 1.00 0.00 O ATOM 0 H GLU A 22 8.303 -7.315 -3.063 1.00 0.00 H new ATOM 0 HA GLU A 22 6.337 -6.091 -1.236 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.319 -7.322 -0.426 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.352 -6.214 -1.308 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.558 -4.343 0.064 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.460 -5.410 0.916 1.00 0.00 H new ATOM 326 N LEU A 23 6.383 -3.897 -2.412 1.00 0.00 N ATOM 327 CA LEU A 23 6.333 -2.672 -3.193 1.00 0.00 C ATOM 328 C LEU A 23 7.080 -1.544 -2.454 1.00 0.00 C ATOM 329 O LEU A 23 7.081 -1.487 -1.225 1.00 0.00 O ATOM 330 CB LEU A 23 4.842 -2.324 -3.486 1.00 0.00 C ATOM 331 CG LEU A 23 4.491 -1.554 -4.797 1.00 0.00 C ATOM 332 CD1 LEU A 23 4.996 -0.127 -4.810 1.00 0.00 C ATOM 333 CD2 LEU A 23 5.011 -2.304 -6.010 1.00 0.00 C ATOM 0 H LEU A 23 5.563 -4.065 -1.829 1.00 0.00 H new ATOM 0 HA LEU A 23 6.838 -2.802 -4.150 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.281 -3.258 -3.492 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.470 -1.734 -2.648 1.00 0.00 H new ATOM 0 HG LEU A 23 3.403 -1.500 -4.836 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.717 0.349 -5.750 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.554 0.423 -3.979 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.081 -0.124 -4.710 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.757 -1.752 -6.915 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.094 -2.405 -5.938 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.556 -3.294 -6.049 1.00 0.00 H new ATOM 345 N THR A 24 7.739 -0.687 -3.207 1.00 0.00 N ATOM 346 CA THR A 24 8.502 0.408 -2.648 1.00 0.00 C ATOM 347 C THR A 24 7.716 1.719 -2.693 1.00 0.00 C ATOM 348 O THR A 24 7.186 2.115 -3.736 1.00 0.00 O ATOM 349 CB THR A 24 9.843 0.538 -3.375 1.00 0.00 C ATOM 350 OG1 THR A 24 10.515 -0.717 -3.249 1.00 0.00 O ATOM 351 CG2 THR A 24 10.708 1.643 -2.777 1.00 0.00 C ATOM 0 H THR A 24 7.760 -0.731 -4.226 1.00 0.00 H new ATOM 0 HA THR A 24 8.697 0.189 -1.598 1.00 0.00 H new ATOM 0 HB THR A 24 9.667 0.799 -4.419 1.00 0.00 H new ATOM 0 HG1 THR A 24 11.381 -0.672 -3.706 1.00 0.00 H new ATOM 0 HG21 THR A 24 11.650 1.702 -3.321 1.00 0.00 H new ATOM 0 HG22 THR A 24 10.185 2.596 -2.853 1.00 0.00 H new ATOM 0 HG23 THR A 24 10.908 1.421 -1.729 1.00 0.00 H new ATOM 359 N PHE A 25 7.661 2.374 -1.560 1.00 0.00 N ATOM 360 CA PHE A 25 6.902 3.582 -1.383 1.00 0.00 C ATOM 361 C PHE A 25 7.797 4.651 -0.797 1.00 0.00 C ATOM 362 O PHE A 25 8.757 4.335 -0.100 1.00 0.00 O ATOM 363 CB PHE A 25 5.754 3.316 -0.409 1.00 0.00 C ATOM 364 CG PHE A 25 4.806 2.235 -0.843 1.00 0.00 C ATOM 365 CD1 PHE A 25 3.767 2.520 -1.692 1.00 0.00 C ATOM 366 CD2 PHE A 25 4.962 0.938 -0.403 1.00 0.00 C ATOM 367 CE1 PHE A 25 2.896 1.536 -2.102 1.00 0.00 C ATOM 368 CE2 PHE A 25 4.097 -0.049 -0.808 1.00 0.00 C ATOM 369 CZ PHE A 25 3.060 0.250 -1.659 1.00 0.00 C ATOM 0 H PHE A 25 8.154 2.074 -0.719 1.00 0.00 H new ATOM 0 HA PHE A 25 6.508 3.910 -2.345 1.00 0.00 H new ATOM 0 HB2 PHE A 25 6.172 3.047 0.561 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.192 4.239 -0.269 1.00 0.00 H new ATOM 0 HD1 PHE A 25 3.630 3.532 -2.044 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.773 0.695 0.267 1.00 0.00 H new ATOM 0 HE1 PHE A 25 2.084 1.778 -2.772 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.232 -1.062 -0.457 1.00 0.00 H new ATOM 0 HZ PHE A 25 2.378 -0.525 -1.977 1.00 0.00 H new ATOM 379 N ARG A 26 7.505 5.897 -1.076 1.00 0.00 N ATOM 380 CA ARG A 26 8.260 7.010 -0.506 1.00 0.00 C ATOM 381 C ARG A 26 7.352 7.680 0.500 1.00 0.00 C ATOM 382 O ARG A 26 6.186 7.319 0.592 1.00 0.00 O ATOM 383 CB ARG A 26 8.711 8.061 -1.563 1.00 0.00 C ATOM 384 CG ARG A 26 9.560 7.559 -2.740 1.00 0.00 C ATOM 385 CD ARG A 26 8.747 6.683 -3.653 1.00 0.00 C ATOM 386 NE ARG A 26 9.405 6.327 -4.887 1.00 0.00 N ATOM 387 CZ ARG A 26 8.739 5.916 -5.961 1.00 0.00 C ATOM 388 NH1 ARG A 26 7.401 5.837 -5.927 1.00 0.00 N ATOM 389 NH2 ARG A 26 9.390 5.615 -7.074 1.00 0.00 N ATOM 0 H ARG A 26 6.747 6.178 -1.697 1.00 0.00 H new ATOM 0 HA ARG A 26 9.174 6.617 -0.061 1.00 0.00 H new ATOM 0 HB2 ARG A 26 7.817 8.535 -1.970 1.00 0.00 H new ATOM 0 HB3 ARG A 26 9.276 8.837 -1.047 1.00 0.00 H new ATOM 0 HG2 ARG A 26 9.952 8.409 -3.299 1.00 0.00 H new ATOM 0 HG3 ARG A 26 10.418 7.002 -2.363 1.00 0.00 H new ATOM 0 HD2 ARG A 26 8.485 5.769 -3.120 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.813 7.194 -3.889 1.00 0.00 H new ATOM 0 HE ARG A 26 10.422 6.393 -4.937 1.00 0.00 H new ATOM 0 HH11 ARG A 26 6.896 6.092 -5.078 1.00 0.00 H new ATOM 0 HH12 ARG A 26 6.888 5.522 -6.750 1.00 0.00 H new ATOM 0 HH21 ARG A 26 10.406 5.698 -7.109 1.00 0.00 H new ATOM 0 HH22 ARG A 26 8.875 5.300 -7.896 1.00 0.00 H new ATOM 403 N GLU A 27 7.847 8.640 1.221 1.00 0.00 N ATOM 404 CA GLU A 27 7.068 9.310 2.242 1.00 0.00 C ATOM 405 C GLU A 27 6.160 10.399 1.647 1.00 0.00 C ATOM 406 O GLU A 27 6.639 11.355 1.051 1.00 0.00 O ATOM 407 CB GLU A 27 8.014 9.908 3.276 1.00 0.00 C ATOM 408 CG GLU A 27 7.357 10.733 4.364 1.00 0.00 C ATOM 409 CD GLU A 27 8.372 11.317 5.310 1.00 0.00 C ATOM 410 OE1 GLU A 27 9.388 11.882 4.845 1.00 0.00 O ATOM 411 OE2 GLU A 27 8.199 11.195 6.528 1.00 0.00 O ATOM 0 H GLU A 27 8.801 8.988 1.125 1.00 0.00 H new ATOM 0 HA GLU A 27 6.415 8.577 2.717 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.570 9.097 3.746 1.00 0.00 H new ATOM 0 HB3 GLU A 27 8.740 10.534 2.758 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.777 11.537 3.911 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.657 10.110 4.921 1.00 0.00 H new ATOM 418 N GLY A 28 4.857 10.217 1.776 1.00 0.00 N ATOM 419 CA GLY A 28 3.918 11.243 1.379 1.00 0.00 C ATOM 420 C GLY A 28 3.327 11.055 -0.011 1.00 0.00 C ATOM 421 O GLY A 28 3.119 12.037 -0.726 1.00 0.00 O ATOM 0 H GLY A 28 4.430 9.370 2.152 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.105 11.274 2.104 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.418 12.211 1.419 1.00 0.00 H new ATOM 425 N GLU A 29 3.041 9.833 -0.398 1.00 0.00 N ATOM 426 CA GLU A 29 2.429 9.579 -1.686 1.00 0.00 C ATOM 427 C GLU A 29 1.233 8.646 -1.571 1.00 0.00 C ATOM 428 O GLU A 29 1.111 7.899 -0.588 1.00 0.00 O ATOM 429 CB GLU A 29 3.458 9.135 -2.728 1.00 0.00 C ATOM 430 CG GLU A 29 4.333 7.952 -2.364 1.00 0.00 C ATOM 431 CD GLU A 29 5.461 7.804 -3.363 1.00 0.00 C ATOM 432 OE1 GLU A 29 6.291 8.716 -3.450 1.00 0.00 O ATOM 433 OE2 GLU A 29 5.554 6.776 -4.072 1.00 0.00 O ATOM 0 H GLU A 29 3.222 8.998 0.159 1.00 0.00 H new ATOM 0 HA GLU A 29 2.029 10.523 -2.054 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.927 8.894 -3.649 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.107 9.983 -2.947 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.741 8.088 -1.362 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.735 7.041 -2.344 1.00 0.00 H new ATOM 440 N ILE A 30 0.348 8.722 -2.543 1.00 0.00 N ATOM 441 CA ILE A 30 -0.911 8.000 -2.526 1.00 0.00 C ATOM 442 C ILE A 30 -0.762 6.601 -3.126 1.00 0.00 C ATOM 443 O ILE A 30 -0.116 6.417 -4.157 1.00 0.00 O ATOM 444 CB ILE A 30 -2.012 8.809 -3.285 1.00 0.00 C ATOM 445 CG1 ILE A 30 -2.220 10.193 -2.624 1.00 0.00 C ATOM 446 CG2 ILE A 30 -3.338 8.047 -3.355 1.00 0.00 C ATOM 447 CD1 ILE A 30 -2.756 10.145 -1.203 1.00 0.00 C ATOM 0 H ILE A 30 0.482 9.293 -3.377 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.215 7.883 -1.486 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.663 8.952 -4.308 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.269 10.725 -2.621 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.909 10.774 -3.238 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.074 8.646 -3.891 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.188 7.103 -3.879 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.697 7.849 -2.345 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.869 11.160 -0.822 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.724 9.645 -1.196 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.059 9.596 -0.570 1.00 0.00 H new ATOM 459 N ILE A 31 -1.371 5.643 -2.477 1.00 0.00 N ATOM 460 CA ILE A 31 -1.338 4.260 -2.875 1.00 0.00 C ATOM 461 C ILE A 31 -2.742 3.864 -3.276 1.00 0.00 C ATOM 462 O ILE A 31 -3.713 4.215 -2.569 1.00 0.00 O ATOM 463 CB ILE A 31 -0.956 3.346 -1.682 1.00 0.00 C ATOM 464 CG1 ILE A 31 0.300 3.836 -0.963 1.00 0.00 C ATOM 465 CG2 ILE A 31 -0.779 1.895 -2.146 1.00 0.00 C ATOM 466 CD1 ILE A 31 0.602 3.057 0.307 1.00 0.00 C ATOM 0 H ILE A 31 -1.919 5.808 -1.633 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.612 4.147 -3.680 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.778 3.389 -0.967 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.151 3.761 -1.639 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.182 4.891 -0.716 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.511 1.271 -1.294 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.712 1.536 -2.580 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.012 1.846 -2.894 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.505 3.453 0.771 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.234 3.153 1.000 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.751 2.005 0.062 1.00 0.00 H new ATOM 478 N HIS A 32 -2.868 3.144 -4.354 1.00 0.00 N ATOM 479 CA HIS A 32 -4.147 2.642 -4.762 1.00 0.00 C ATOM 480 C HIS A 32 -4.327 1.278 -4.109 1.00 0.00 C ATOM 481 O HIS A 32 -3.548 0.360 -4.352 1.00 0.00 O ATOM 482 CB HIS A 32 -4.215 2.543 -6.292 1.00 0.00 C ATOM 483 CG HIS A 32 -5.537 2.083 -6.822 1.00 0.00 C ATOM 484 ND1 HIS A 32 -5.681 1.196 -7.865 1.00 0.00 N ATOM 485 CD2 HIS A 32 -6.793 2.449 -6.466 1.00 0.00 C ATOM 486 CE1 HIS A 32 -6.982 1.055 -8.106 1.00 0.00 C ATOM 487 NE2 HIS A 32 -7.706 1.799 -7.282 1.00 0.00 N ATOM 0 H HIS A 32 -2.095 2.891 -4.969 1.00 0.00 H new ATOM 0 HA HIS A 32 -4.949 3.312 -4.451 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -3.986 3.520 -6.718 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -3.441 1.857 -6.635 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -4.924 0.729 -8.365 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -7.043 3.138 -5.672 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -7.395 0.417 -8.874 1.00 0.00 H new ATOM 495 N LEU A 33 -5.313 1.170 -3.264 1.00 0.00 N ATOM 496 CA LEU A 33 -5.544 -0.028 -2.492 1.00 0.00 C ATOM 497 C LEU A 33 -6.210 -1.080 -3.377 1.00 0.00 C ATOM 498 O LEU A 33 -7.264 -0.833 -3.989 1.00 0.00 O ATOM 499 CB LEU A 33 -6.401 0.337 -1.255 1.00 0.00 C ATOM 500 CG LEU A 33 -6.521 -0.682 -0.098 1.00 0.00 C ATOM 501 CD1 LEU A 33 -7.188 -0.013 1.086 1.00 0.00 C ATOM 502 CD2 LEU A 33 -7.332 -1.905 -0.493 1.00 0.00 C ATOM 0 H LEU A 33 -5.987 1.915 -3.087 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.606 -0.454 -2.136 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.001 1.262 -0.839 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.409 0.556 -1.606 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.514 -1.014 0.156 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.276 -0.727 1.905 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.588 0.838 1.409 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.181 0.332 0.797 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.389 -2.592 0.351 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.338 -1.598 -0.779 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.852 -2.404 -1.335 1.00 0.00 H new ATOM 514 N ILE A 34 -5.578 -2.228 -3.457 1.00 0.00 N ATOM 515 CA ILE A 34 -6.062 -3.321 -4.272 1.00 0.00 C ATOM 516 C ILE A 34 -6.711 -4.385 -3.398 1.00 0.00 C ATOM 517 O ILE A 34 -7.729 -4.960 -3.754 1.00 0.00 O ATOM 518 CB ILE A 34 -4.901 -3.962 -5.103 1.00 0.00 C ATOM 519 CG1 ILE A 34 -4.220 -2.909 -5.989 1.00 0.00 C ATOM 520 CG2 ILE A 34 -5.391 -5.141 -5.954 1.00 0.00 C ATOM 521 CD1 ILE A 34 -5.152 -2.218 -6.968 1.00 0.00 C ATOM 0 H ILE A 34 -4.712 -2.432 -2.958 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.803 -2.919 -4.963 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.170 -4.349 -4.393 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.761 -2.155 -5.349 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.415 -3.387 -6.547 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.554 -5.557 -6.515 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.810 -5.909 -5.304 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.157 -4.795 -6.648 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.590 -1.491 -7.554 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.593 -2.959 -7.635 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.943 -1.708 -6.419 1.00 0.00 H new ATOM 533 N SER A 35 -6.114 -4.666 -2.264 1.00 0.00 N ATOM 534 CA SER A 35 -6.645 -5.675 -1.380 1.00 0.00 C ATOM 535 C SER A 35 -6.265 -5.417 0.066 1.00 0.00 C ATOM 536 O SER A 35 -5.117 -5.083 0.365 1.00 0.00 O ATOM 537 CB SER A 35 -6.131 -7.060 -1.788 1.00 0.00 C ATOM 538 OG SER A 35 -6.545 -7.408 -3.110 1.00 0.00 O ATOM 0 H SER A 35 -5.263 -4.212 -1.933 1.00 0.00 H new ATOM 0 HA SER A 35 -7.731 -5.636 -1.464 1.00 0.00 H new ATOM 0 HB2 SER A 35 -5.043 -7.076 -1.731 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.498 -7.806 -1.083 1.00 0.00 H new ATOM 0 HG SER A 35 -7.124 -6.703 -3.468 1.00 0.00 H new ATOM 544 N LYS A 36 -7.236 -5.552 0.952 1.00 0.00 N ATOM 545 CA LYS A 36 -6.993 -5.476 2.395 1.00 0.00 C ATOM 546 C LYS A 36 -6.727 -6.863 2.937 1.00 0.00 C ATOM 547 O LYS A 36 -6.326 -7.042 4.088 1.00 0.00 O ATOM 548 CB LYS A 36 -8.185 -4.871 3.129 1.00 0.00 C ATOM 549 CG LYS A 36 -8.460 -3.445 2.769 1.00 0.00 C ATOM 550 CD LYS A 36 -9.721 -2.934 3.416 1.00 0.00 C ATOM 551 CE LYS A 36 -10.067 -1.591 2.842 1.00 0.00 C ATOM 552 NZ LYS A 36 -11.282 -1.019 3.424 1.00 0.00 N ATOM 0 H LYS A 36 -8.211 -5.716 0.701 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.127 -4.834 2.558 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.072 -5.467 2.914 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.009 -4.937 4.203 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.618 -2.825 3.076 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.545 -3.354 1.686 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.539 -3.635 3.248 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.584 -2.856 4.495 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.235 -0.906 3.005 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.196 -1.685 1.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -11.614 -0.233 2.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -12.020 -1.750 3.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.076 -0.667 4.381 1.00 0.00 H new ATOM 566 N GLU A 37 -6.959 -7.843 2.107 1.00 0.00 N ATOM 567 CA GLU A 37 -6.741 -9.191 2.482 1.00 0.00 C ATOM 568 C GLU A 37 -5.686 -9.778 1.596 1.00 0.00 C ATOM 569 O GLU A 37 -5.829 -9.801 0.378 1.00 0.00 O ATOM 570 CB GLU A 37 -8.024 -10.016 2.389 1.00 0.00 C ATOM 571 CG GLU A 37 -7.854 -11.441 2.883 1.00 0.00 C ATOM 572 CD GLU A 37 -7.445 -11.490 4.336 1.00 0.00 C ATOM 573 OE1 GLU A 37 -6.233 -11.332 4.642 1.00 0.00 O ATOM 574 OE2 GLU A 37 -8.331 -11.645 5.197 1.00 0.00 O ATOM 0 H GLU A 37 -7.304 -7.718 1.155 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.414 -9.214 3.521 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.806 -9.527 2.970 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.362 -10.035 1.353 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.789 -11.985 2.751 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.103 -11.948 2.277 1.00 0.00 H new ATOM 581 N THR A 38 -4.632 -10.197 2.186 1.00 0.00 N ATOM 582 CA THR A 38 -3.571 -10.835 1.475 1.00 0.00 C ATOM 583 C THR A 38 -3.448 -12.276 1.938 1.00 0.00 C ATOM 584 O THR A 38 -2.599 -13.047 1.452 1.00 0.00 O ATOM 585 CB THR A 38 -2.276 -10.084 1.734 1.00 0.00 C ATOM 586 OG1 THR A 38 -2.215 -9.783 3.137 1.00 0.00 O ATOM 587 CG2 THR A 38 -2.215 -8.799 0.916 1.00 0.00 C ATOM 0 H THR A 38 -4.471 -10.110 3.189 1.00 0.00 H new ATOM 0 HA THR A 38 -3.780 -10.827 0.405 1.00 0.00 H new ATOM 0 HB THR A 38 -1.427 -10.699 1.436 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.361 -8.823 3.272 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.278 -8.281 1.121 1.00 0.00 H new ATOM 0 HG22 THR A 38 -2.272 -9.040 -0.145 1.00 0.00 H new ATOM 0 HG23 THR A 38 -3.052 -8.155 1.187 1.00 0.00 H new ATOM 595 N GLY A 39 -4.314 -12.634 2.866 1.00 0.00 N ATOM 596 CA GLY A 39 -4.280 -13.939 3.466 1.00 0.00 C ATOM 597 C GLY A 39 -3.635 -13.863 4.821 1.00 0.00 C ATOM 598 O GLY A 39 -3.469 -14.871 5.506 1.00 0.00 O ATOM 0 H GLY A 39 -5.054 -12.027 3.219 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.292 -14.333 3.557 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.726 -14.628 2.828 1.00 0.00 H new ATOM 602 N GLU A 40 -3.266 -12.655 5.199 1.00 0.00 N ATOM 603 CA GLU A 40 -2.644 -12.386 6.456 1.00 0.00 C ATOM 604 C GLU A 40 -3.043 -10.998 6.904 1.00 0.00 C ATOM 605 O GLU A 40 -2.998 -10.048 6.111 1.00 0.00 O ATOM 606 CB GLU A 40 -1.128 -12.456 6.323 1.00 0.00 C ATOM 607 CG GLU A 40 -0.380 -12.332 7.644 1.00 0.00 C ATOM 608 CD GLU A 40 1.109 -12.393 7.464 1.00 0.00 C ATOM 609 OE1 GLU A 40 1.581 -13.259 6.709 1.00 0.00 O ATOM 610 OE2 GLU A 40 1.838 -11.594 8.104 1.00 0.00 O ATOM 0 H GLU A 40 -3.398 -11.825 4.621 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.965 -13.129 7.186 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -0.859 -13.402 5.853 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.796 -11.662 5.654 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -0.647 -11.390 8.123 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.696 -13.132 8.314 1.00 0.00 H new ATOM 617 N ALA A 41 -3.454 -10.882 8.135 1.00 0.00 N ATOM 618 CA ALA A 41 -3.801 -9.604 8.693 1.00 0.00 C ATOM 619 C ALA A 41 -2.519 -8.832 8.997 1.00 0.00 C ATOM 620 O ALA A 41 -1.781 -9.166 9.940 1.00 0.00 O ATOM 621 CB ALA A 41 -4.647 -9.782 9.944 1.00 0.00 C ATOM 0 H ALA A 41 -3.558 -11.667 8.778 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.395 -9.037 7.976 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.901 -8.804 10.354 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.562 -10.318 9.691 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.086 -10.351 10.685 1.00 0.00 H new ATOM 627 N GLY A 42 -2.235 -7.848 8.189 1.00 0.00 N ATOM 628 CA GLY A 42 -1.031 -7.080 8.347 1.00 0.00 C ATOM 629 C GLY A 42 -0.530 -6.575 7.031 1.00 0.00 C ATOM 630 O GLY A 42 0.058 -5.497 6.944 1.00 0.00 O ATOM 0 H GLY A 42 -2.825 -7.558 7.409 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.219 -6.238 9.014 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.264 -7.695 8.818 1.00 0.00 H new ATOM 634 N TRP A 43 -0.781 -7.331 5.996 1.00 0.00 N ATOM 635 CA TRP A 43 -0.343 -6.955 4.683 1.00 0.00 C ATOM 636 C TRP A 43 -1.501 -6.475 3.853 1.00 0.00 C ATOM 637 O TRP A 43 -2.556 -7.123 3.795 1.00 0.00 O ATOM 638 CB TRP A 43 0.337 -8.121 3.955 1.00 0.00 C ATOM 639 CG TRP A 43 1.595 -8.612 4.582 1.00 0.00 C ATOM 640 CD1 TRP A 43 1.709 -9.562 5.543 1.00 0.00 C ATOM 641 CD2 TRP A 43 2.925 -8.192 4.268 1.00 0.00 C ATOM 642 NE1 TRP A 43 3.029 -9.761 5.850 1.00 0.00 N ATOM 643 CE2 TRP A 43 3.795 -8.928 5.084 1.00 0.00 C ATOM 644 CE3 TRP A 43 3.462 -7.262 3.378 1.00 0.00 C ATOM 645 CZ2 TRP A 43 5.175 -8.764 5.035 1.00 0.00 C ATOM 646 CZ3 TRP A 43 4.828 -7.101 3.327 1.00 0.00 C ATOM 647 CH2 TRP A 43 5.671 -7.844 4.150 1.00 0.00 C ATOM 0 H TRP A 43 -1.289 -8.214 6.039 1.00 0.00 H new ATOM 0 HA TRP A 43 0.381 -6.150 4.810 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -0.367 -8.951 3.894 1.00 0.00 H new ATOM 0 HB3 TRP A 43 0.556 -7.812 2.933 1.00 0.00 H new ATOM 0 HD1 TRP A 43 0.881 -10.085 5.999 1.00 0.00 H new ATOM 0 HE1 TRP A 43 3.383 -10.424 6.539 1.00 0.00 H new ATOM 0 HE3 TRP A 43 2.816 -6.678 2.739 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 5.831 -9.340 5.671 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.253 -6.387 2.637 1.00 0.00 H new ATOM 0 HH2 TRP A 43 6.738 -7.691 4.089 1.00 0.00 H new ATOM 658 N TRP A 44 -1.314 -5.359 3.240 1.00 0.00 N ATOM 659 CA TRP A 44 -2.238 -4.825 2.292 1.00 0.00 C ATOM 660 C TRP A 44 -1.572 -4.845 0.956 1.00 0.00 C ATOM 661 O TRP A 44 -0.338 -4.797 0.875 1.00 0.00 O ATOM 662 CB TRP A 44 -2.670 -3.392 2.642 1.00 0.00 C ATOM 663 CG TRP A 44 -3.816 -3.301 3.609 1.00 0.00 C ATOM 664 CD1 TRP A 44 -4.394 -4.317 4.301 1.00 0.00 C ATOM 665 CD2 TRP A 44 -4.543 -2.116 3.959 1.00 0.00 C ATOM 666 NE1 TRP A 44 -5.434 -3.845 5.058 1.00 0.00 N ATOM 667 CE2 TRP A 44 -5.544 -2.498 4.871 1.00 0.00 C ATOM 668 CE3 TRP A 44 -4.443 -0.772 3.594 1.00 0.00 C ATOM 669 CZ2 TRP A 44 -6.440 -1.589 5.418 1.00 0.00 C ATOM 670 CZ3 TRP A 44 -5.336 0.131 4.139 1.00 0.00 C ATOM 671 CH2 TRP A 44 -6.322 -0.283 5.042 1.00 0.00 C ATOM 0 H TRP A 44 -0.492 -4.773 3.386 1.00 0.00 H new ATOM 0 HA TRP A 44 -3.143 -5.432 2.295 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -1.815 -2.861 3.062 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.946 -2.875 1.723 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -4.079 -5.349 4.260 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -6.030 -4.410 5.664 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.683 -0.445 2.900 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -7.202 -1.904 6.115 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -5.272 1.173 3.864 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -7.005 0.448 5.450 1.00 0.00 H new ATOM 682 N LYS A 45 -2.340 -4.961 -0.078 1.00 0.00 N ATOM 683 CA LYS A 45 -1.778 -4.938 -1.378 1.00 0.00 C ATOM 684 C LYS A 45 -2.161 -3.649 -2.044 1.00 0.00 C ATOM 685 O LYS A 45 -3.355 -3.283 -2.093 1.00 0.00 O ATOM 686 CB LYS A 45 -2.203 -6.159 -2.206 1.00 0.00 C ATOM 687 CG LYS A 45 -1.600 -6.172 -3.598 1.00 0.00 C ATOM 688 CD LYS A 45 -1.815 -7.485 -4.309 1.00 0.00 C ATOM 689 CE LYS A 45 -1.221 -7.419 -5.695 1.00 0.00 C ATOM 690 NZ LYS A 45 -1.279 -8.701 -6.411 1.00 0.00 N ATOM 0 H LYS A 45 -3.353 -5.072 -0.043 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.692 -4.993 -1.302 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.909 -7.067 -1.680 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.290 -6.175 -2.287 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -2.039 -5.367 -4.188 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.531 -5.971 -3.529 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -1.354 -8.295 -3.744 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.881 -7.706 -4.370 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.750 -6.662 -6.274 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.182 -7.097 -5.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.370 -8.525 -7.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.408 -9.240 -6.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.100 -9.247 -6.079 1.00 0.00 H new ATOM 704 N GLY A 46 -1.181 -2.981 -2.562 1.00 0.00 N ATOM 705 CA GLY A 46 -1.388 -1.717 -3.157 1.00 0.00 C ATOM 706 C GLY A 46 -0.728 -1.633 -4.482 1.00 0.00 C ATOM 707 O GLY A 46 0.200 -2.400 -4.779 1.00 0.00 O ATOM 0 H GLY A 46 -0.214 -3.305 -2.580 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.457 -1.535 -3.268 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -0.998 -0.936 -2.504 1.00 0.00 H new ATOM 711 N GLU A 47 -1.206 -0.739 -5.273 1.00 0.00 N ATOM 712 CA GLU A 47 -0.706 -0.517 -6.581 1.00 0.00 C ATOM 713 C GLU A 47 -0.136 0.884 -6.646 1.00 0.00 C ATOM 714 O GLU A 47 -0.790 1.856 -6.220 1.00 0.00 O ATOM 715 CB GLU A 47 -1.844 -0.702 -7.573 1.00 0.00 C ATOM 716 CG GLU A 47 -1.473 -0.590 -9.029 1.00 0.00 C ATOM 717 CD GLU A 47 -2.668 -0.821 -9.903 1.00 0.00 C ATOM 718 OE1 GLU A 47 -3.614 -0.001 -9.870 1.00 0.00 O ATOM 719 OE2 GLU A 47 -2.714 -1.848 -10.617 1.00 0.00 O ATOM 0 H GLU A 47 -1.979 -0.124 -5.019 1.00 0.00 H new ATOM 0 HA GLU A 47 0.085 -1.224 -6.829 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.290 -1.683 -7.406 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.613 0.039 -7.356 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.057 0.398 -9.228 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.696 -1.317 -9.268 1.00 0.00 H new ATOM 726 N LEU A 48 1.074 0.980 -7.128 1.00 0.00 N ATOM 727 CA LEU A 48 1.776 2.227 -7.254 1.00 0.00 C ATOM 728 C LEU A 48 2.933 2.025 -8.213 1.00 0.00 C ATOM 729 O LEU A 48 3.433 0.903 -8.348 1.00 0.00 O ATOM 730 CB LEU A 48 2.303 2.701 -5.888 1.00 0.00 C ATOM 731 CG LEU A 48 3.010 4.063 -5.871 1.00 0.00 C ATOM 732 CD1 LEU A 48 2.059 5.177 -6.266 1.00 0.00 C ATOM 733 CD2 LEU A 48 3.597 4.336 -4.516 1.00 0.00 C ATOM 0 H LEU A 48 1.610 0.175 -7.451 1.00 0.00 H new ATOM 0 HA LEU A 48 1.096 2.991 -7.632 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.465 2.741 -5.192 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.996 1.950 -5.509 1.00 0.00 H new ATOM 0 HG LEU A 48 3.818 4.030 -6.602 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.587 6.130 -6.245 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.681 4.993 -7.272 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.225 5.209 -5.565 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.094 5.306 -4.524 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.803 4.341 -3.770 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.321 3.559 -4.270 1.00 0.00 H new ATOM 745 N ASN A 49 3.301 3.089 -8.937 1.00 0.00 N ATOM 746 CA ASN A 49 4.457 3.113 -9.882 1.00 0.00 C ATOM 747 C ASN A 49 4.155 2.305 -11.148 1.00 0.00 C ATOM 748 O ASN A 49 4.979 2.187 -12.057 1.00 0.00 O ATOM 749 CB ASN A 49 5.768 2.606 -9.215 1.00 0.00 C ATOM 750 CG ASN A 49 6.169 3.378 -7.959 1.00 0.00 C ATOM 751 OD1 ASN A 49 5.899 4.578 -7.822 1.00 0.00 O ATOM 752 ND2 ASN A 49 6.807 2.701 -7.028 1.00 0.00 N ATOM 0 H ASN A 49 2.805 3.979 -8.892 1.00 0.00 H new ATOM 0 HA ASN A 49 4.611 4.155 -10.164 1.00 0.00 H new ATOM 0 HB2 ASN A 49 5.649 1.553 -8.959 1.00 0.00 H new ATOM 0 HB3 ASN A 49 6.579 2.667 -9.940 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.093 3.165 -6.166 1.00 0.00 H new ATOM 0 HD22 ASN A 49 7.016 1.713 -7.169 1.00 0.00 H new ATOM 759 N GLY A 50 2.967 1.759 -11.188 1.00 0.00 N ATOM 760 CA GLY A 50 2.517 0.961 -12.283 1.00 0.00 C ATOM 761 C GLY A 50 2.527 -0.494 -11.912 1.00 0.00 C ATOM 762 O GLY A 50 2.154 -1.349 -12.710 1.00 0.00 O ATOM 0 H GLY A 50 2.278 1.863 -10.443 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.510 1.262 -12.570 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.158 1.126 -13.149 1.00 0.00 H new ATOM 766 N LYS A 51 2.924 -0.774 -10.681 1.00 0.00 N ATOM 767 CA LYS A 51 3.080 -2.133 -10.215 1.00 0.00 C ATOM 768 C LYS A 51 2.205 -2.352 -9.021 1.00 0.00 C ATOM 769 O LYS A 51 1.673 -1.406 -8.450 1.00 0.00 O ATOM 770 CB LYS A 51 4.537 -2.405 -9.795 1.00 0.00 C ATOM 771 CG LYS A 51 5.579 -1.962 -10.796 1.00 0.00 C ATOM 772 CD LYS A 51 5.394 -2.569 -12.186 1.00 0.00 C ATOM 773 CE LYS A 51 6.052 -3.954 -12.368 1.00 0.00 C ATOM 774 NZ LYS A 51 5.469 -5.036 -11.520 1.00 0.00 N ATOM 0 H LYS A 51 3.145 -0.065 -9.982 1.00 0.00 H new ATOM 0 HA LYS A 51 2.805 -2.804 -11.028 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.727 -1.901 -8.847 1.00 0.00 H new ATOM 0 HB3 LYS A 51 4.656 -3.474 -9.617 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.553 -0.875 -10.878 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.567 -2.230 -10.421 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.327 -2.657 -12.392 1.00 0.00 H new ATOM 0 HD3 LYS A 51 5.806 -1.884 -12.927 1.00 0.00 H new ATOM 0 HE2 LYS A 51 5.969 -4.246 -13.415 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.115 -3.869 -12.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.696 -5.962 -11.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 5.868 -4.978 -10.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.436 -4.922 -11.473 1.00 0.00 H new ATOM 788 N GLU A 52 2.096 -3.568 -8.634 1.00 0.00 N ATOM 789 CA GLU A 52 1.325 -3.942 -7.488 1.00 0.00 C ATOM 790 C GLU A 52 2.155 -4.836 -6.591 1.00 0.00 C ATOM 791 O GLU A 52 2.952 -5.647 -7.072 1.00 0.00 O ATOM 792 CB GLU A 52 0.018 -4.620 -7.908 1.00 0.00 C ATOM 793 CG GLU A 52 0.202 -5.791 -8.859 1.00 0.00 C ATOM 794 CD GLU A 52 -1.094 -6.441 -9.226 1.00 0.00 C ATOM 795 OE1 GLU A 52 -1.931 -5.791 -9.858 1.00 0.00 O ATOM 796 OE2 GLU A 52 -1.311 -7.618 -8.867 1.00 0.00 O ATOM 0 H GLU A 52 2.545 -4.352 -9.107 1.00 0.00 H new ATOM 0 HA GLU A 52 1.054 -3.047 -6.928 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.500 -4.969 -7.015 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.627 -3.880 -8.382 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.700 -5.444 -9.765 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.857 -6.530 -8.398 1.00 0.00 H new ATOM 803 N GLY A 53 2.010 -4.663 -5.320 1.00 0.00 N ATOM 804 CA GLY A 53 2.755 -5.450 -4.387 1.00 0.00 C ATOM 805 C GLY A 53 2.148 -5.360 -3.031 1.00 0.00 C ATOM 806 O GLY A 53 1.091 -4.737 -2.865 1.00 0.00 O ATOM 0 H GLY A 53 1.380 -3.981 -4.899 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.777 -6.489 -4.714 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.788 -5.104 -4.354 1.00 0.00 H new ATOM 810 N VAL A 54 2.802 -5.915 -2.062 1.00 0.00 N ATOM 811 CA VAL A 54 2.272 -5.944 -0.726 1.00 0.00 C ATOM 812 C VAL A 54 3.132 -5.124 0.208 1.00 0.00 C ATOM 813 O VAL A 54 4.330 -4.908 -0.052 1.00 0.00 O ATOM 814 CB VAL A 54 2.118 -7.400 -0.178 1.00 0.00 C ATOM 815 CG1 VAL A 54 1.084 -8.173 -0.980 1.00 0.00 C ATOM 816 CG2 VAL A 54 3.452 -8.144 -0.195 1.00 0.00 C ATOM 0 H VAL A 54 3.714 -6.360 -2.167 1.00 0.00 H new ATOM 0 HA VAL A 54 1.275 -5.506 -0.773 1.00 0.00 H new ATOM 0 HB VAL A 54 1.779 -7.325 0.855 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.994 -9.183 -0.580 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.120 -7.669 -0.912 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.395 -8.222 -2.023 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.311 -9.153 0.192 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.826 -8.197 -1.217 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.172 -7.614 0.428 1.00 0.00 H new ATOM 826 N PHE A 55 2.505 -4.622 1.247 1.00 0.00 N ATOM 827 CA PHE A 55 3.156 -3.816 2.245 1.00 0.00 C ATOM 828 C PHE A 55 2.388 -3.949 3.558 1.00 0.00 C ATOM 829 O PHE A 55 1.187 -4.232 3.538 1.00 0.00 O ATOM 830 CB PHE A 55 3.188 -2.333 1.800 1.00 0.00 C ATOM 831 CG PHE A 55 1.826 -1.666 1.664 1.00 0.00 C ATOM 832 CD1 PHE A 55 1.063 -1.826 0.517 1.00 0.00 C ATOM 833 CD2 PHE A 55 1.320 -0.875 2.688 1.00 0.00 C ATOM 834 CE1 PHE A 55 -0.171 -1.218 0.397 1.00 0.00 C ATOM 835 CE2 PHE A 55 0.087 -0.265 2.570 1.00 0.00 C ATOM 836 CZ PHE A 55 -0.659 -0.437 1.424 1.00 0.00 C ATOM 0 H PHE A 55 1.511 -4.767 1.422 1.00 0.00 H new ATOM 0 HA PHE A 55 4.183 -4.157 2.378 1.00 0.00 H new ATOM 0 HB2 PHE A 55 3.781 -1.768 2.519 1.00 0.00 H new ATOM 0 HB3 PHE A 55 3.703 -2.269 0.841 1.00 0.00 H new ATOM 0 HD1 PHE A 55 1.439 -2.434 -0.293 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.899 -0.735 3.589 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.754 -1.354 -0.502 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.293 0.347 3.375 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.624 0.039 1.330 1.00 0.00 H new ATOM 846 N PRO A 56 3.051 -3.813 4.708 1.00 0.00 N ATOM 847 CA PRO A 56 2.366 -3.795 5.985 1.00 0.00 C ATOM 848 C PRO A 56 1.566 -2.494 6.124 1.00 0.00 C ATOM 849 O PRO A 56 2.103 -1.391 5.892 1.00 0.00 O ATOM 850 CB PRO A 56 3.503 -3.852 7.024 1.00 0.00 C ATOM 851 CG PRO A 56 4.710 -4.249 6.248 1.00 0.00 C ATOM 852 CD PRO A 56 4.502 -3.701 4.872 1.00 0.00 C ATOM 0 HA PRO A 56 1.659 -4.616 6.105 1.00 0.00 H new ATOM 0 HB2 PRO A 56 3.645 -2.886 7.508 1.00 0.00 H new ATOM 0 HB3 PRO A 56 3.284 -4.574 7.811 1.00 0.00 H new ATOM 0 HG2 PRO A 56 5.616 -3.844 6.698 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.822 -5.333 6.225 1.00 0.00 H new ATOM 0 HD2 PRO A 56 4.842 -2.669 4.790 1.00 0.00 H new ATOM 0 HD3 PRO A 56 5.042 -4.276 4.119 1.00 0.00 H new ATOM 860 N ASP A 57 0.306 -2.616 6.529 1.00 0.00 N ATOM 861 CA ASP A 57 -0.633 -1.462 6.628 1.00 0.00 C ATOM 862 C ASP A 57 -0.183 -0.423 7.665 1.00 0.00 C ATOM 863 O ASP A 57 -0.708 0.691 7.725 1.00 0.00 O ATOM 864 CB ASP A 57 -2.076 -1.928 6.934 1.00 0.00 C ATOM 865 CG ASP A 57 -2.253 -2.564 8.306 1.00 0.00 C ATOM 866 OD1 ASP A 57 -1.995 -3.775 8.455 1.00 0.00 O ATOM 867 OD2 ASP A 57 -2.700 -1.874 9.247 1.00 0.00 O ATOM 0 H ASP A 57 -0.109 -3.507 6.801 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.621 -0.979 5.651 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.746 -1.072 6.854 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.383 -2.645 6.172 1.00 0.00 H new ATOM 872 N ASN A 58 0.804 -0.797 8.445 1.00 0.00 N ATOM 873 CA ASN A 58 1.408 0.045 9.471 1.00 0.00 C ATOM 874 C ASN A 58 2.063 1.292 8.853 1.00 0.00 C ATOM 875 O ASN A 58 2.061 2.367 9.447 1.00 0.00 O ATOM 876 CB ASN A 58 2.498 -0.753 10.204 1.00 0.00 C ATOM 877 CG ASN A 58 1.997 -2.053 10.802 1.00 0.00 C ATOM 878 OD1 ASN A 58 1.958 -3.080 10.121 1.00 0.00 O ATOM 879 ND2 ASN A 58 1.666 -2.044 12.066 1.00 0.00 N ATOM 0 H ASN A 58 1.228 -1.723 8.387 1.00 0.00 H new ATOM 0 HA ASN A 58 0.621 0.357 10.157 1.00 0.00 H new ATOM 0 HB2 ASN A 58 3.308 -0.971 9.508 1.00 0.00 H new ATOM 0 HB3 ASN A 58 2.918 -0.135 10.998 1.00 0.00 H new ATOM 0 HD21 ASN A 58 1.363 -2.906 12.520 1.00 0.00 H new ATOM 0 HD22 ASN A 58 1.710 -1.175 12.599 1.00 0.00 H new ATOM 886 N PHE A 59 2.576 1.152 7.635 1.00 0.00 N ATOM 887 CA PHE A 59 3.354 2.220 6.991 1.00 0.00 C ATOM 888 C PHE A 59 2.492 3.191 6.194 1.00 0.00 C ATOM 889 O PHE A 59 3.012 4.118 5.553 1.00 0.00 O ATOM 890 CB PHE A 59 4.436 1.626 6.082 1.00 0.00 C ATOM 891 CG PHE A 59 5.485 0.848 6.816 1.00 0.00 C ATOM 892 CD1 PHE A 59 5.308 -0.491 7.097 1.00 0.00 C ATOM 893 CD2 PHE A 59 6.647 1.463 7.228 1.00 0.00 C ATOM 894 CE1 PHE A 59 6.273 -1.200 7.775 1.00 0.00 C ATOM 895 CE2 PHE A 59 7.613 0.765 7.905 1.00 0.00 C ATOM 896 CZ PHE A 59 7.429 -0.571 8.183 1.00 0.00 C ATOM 0 H PHE A 59 2.470 0.311 7.068 1.00 0.00 H new ATOM 0 HA PHE A 59 3.817 2.787 7.798 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.962 0.975 5.347 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.916 2.434 5.530 1.00 0.00 H new ATOM 0 HD1 PHE A 59 4.403 -0.988 6.782 1.00 0.00 H new ATOM 0 HD2 PHE A 59 6.799 2.511 7.014 1.00 0.00 H new ATOM 0 HE1 PHE A 59 6.124 -2.248 7.987 1.00 0.00 H new ATOM 0 HE2 PHE A 59 8.518 1.263 8.220 1.00 0.00 H new ATOM 0 HZ PHE A 59 8.187 -1.123 8.718 1.00 0.00 H new ATOM 906 N ALA A 60 1.203 3.012 6.246 1.00 0.00 N ATOM 907 CA ALA A 60 0.299 3.841 5.496 1.00 0.00 C ATOM 908 C ALA A 60 -0.903 4.199 6.338 1.00 0.00 C ATOM 909 O ALA A 60 -1.060 3.692 7.457 1.00 0.00 O ATOM 910 CB ALA A 60 -0.138 3.123 4.226 1.00 0.00 C ATOM 0 H ALA A 60 0.749 2.291 6.807 1.00 0.00 H new ATOM 0 HA ALA A 60 0.814 4.761 5.218 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.823 3.760 3.665 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.736 2.902 3.614 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.641 2.192 4.489 1.00 0.00 H new ATOM 916 N VAL A 61 -1.707 5.094 5.832 1.00 0.00 N ATOM 917 CA VAL A 61 -2.947 5.473 6.452 1.00 0.00 C ATOM 918 C VAL A 61 -3.992 5.604 5.349 1.00 0.00 C ATOM 919 O VAL A 61 -3.695 6.132 4.266 1.00 0.00 O ATOM 920 CB VAL A 61 -2.823 6.804 7.273 1.00 0.00 C ATOM 921 CG1 VAL A 61 -2.518 8.012 6.385 1.00 0.00 C ATOM 922 CG2 VAL A 61 -4.060 7.041 8.128 1.00 0.00 C ATOM 0 H VAL A 61 -1.515 5.589 4.961 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.240 4.708 7.172 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.970 6.685 7.941 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.442 8.907 7.002 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.575 7.851 5.862 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.319 8.140 5.657 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.944 7.971 8.685 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.938 7.109 7.486 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.184 6.213 8.826 1.00 0.00 H new ATOM 932 N GLN A 62 -5.169 5.093 5.575 1.00 0.00 N ATOM 933 CA GLN A 62 -6.198 5.133 4.571 1.00 0.00 C ATOM 934 C GLN A 62 -6.896 6.481 4.542 1.00 0.00 C ATOM 935 O GLN A 62 -7.359 6.984 5.573 1.00 0.00 O ATOM 936 CB GLN A 62 -7.188 3.980 4.730 1.00 0.00 C ATOM 937 CG GLN A 62 -8.351 4.046 3.758 1.00 0.00 C ATOM 938 CD GLN A 62 -9.196 2.805 3.741 1.00 0.00 C ATOM 939 OE1 GLN A 62 -9.311 2.084 4.729 1.00 0.00 O ATOM 940 NE2 GLN A 62 -9.833 2.580 2.642 1.00 0.00 N ATOM 0 H GLN A 62 -5.442 4.642 6.448 1.00 0.00 H new ATOM 0 HA GLN A 62 -5.713 5.003 3.603 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -6.661 3.036 4.591 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.575 3.981 5.749 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -8.979 4.899 4.015 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -7.965 4.225 2.755 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -9.710 3.203 1.844 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -10.460 1.779 2.571 1.00 0.00 H new ATOM 949 N ILE A 63 -6.959 7.062 3.362 1.00 0.00 N ATOM 950 CA ILE A 63 -7.582 8.352 3.168 1.00 0.00 C ATOM 951 C ILE A 63 -9.056 8.106 2.946 1.00 0.00 C ATOM 952 O ILE A 63 -9.907 8.555 3.712 1.00 0.00 O ATOM 953 CB ILE A 63 -7.017 9.075 1.906 1.00 0.00 C ATOM 954 CG1 ILE A 63 -5.479 9.083 1.908 1.00 0.00 C ATOM 955 CG2 ILE A 63 -7.567 10.501 1.794 1.00 0.00 C ATOM 956 CD1 ILE A 63 -4.847 9.757 3.116 1.00 0.00 C ATOM 0 H ILE A 63 -6.578 6.651 2.510 1.00 0.00 H new ATOM 0 HA ILE A 63 -7.389 8.979 4.038 1.00 0.00 H new ATOM 0 HB ILE A 63 -7.348 8.515 1.032 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -5.124 8.054 1.857 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -5.131 9.586 1.006 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -7.156 10.981 0.906 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -8.654 10.467 1.718 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -7.283 11.071 2.678 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.761 9.714 3.030 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.167 10.798 3.160 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.160 9.243 4.025 1.00 0.00 H new ATOM 968 N SER A 64 -9.337 7.396 1.888 1.00 0.00 N ATOM 969 CA SER A 64 -10.626 6.999 1.493 1.00 0.00 C ATOM 970 C SER A 64 -10.444 5.805 0.579 1.00 0.00 C ATOM 971 O SER A 64 -10.213 6.005 -0.618 1.00 0.00 O ATOM 972 CB SER A 64 -11.324 8.136 0.755 1.00 0.00 C ATOM 973 OG SER A 64 -11.528 9.265 1.614 1.00 0.00 O ATOM 974 OXT SER A 64 -10.445 4.680 1.071 1.00 0.00 O ATOM 0 H SER A 64 -8.613 7.067 1.250 1.00 0.00 H new ATOM 0 HA SER A 64 -11.244 6.743 2.353 1.00 0.00 H new ATOM 0 HB2 SER A 64 -10.726 8.435 -0.106 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.284 7.789 0.372 1.00 0.00 H new ATOM 0 HG SER A 64 -11.976 9.979 1.114 1.00 0.00 H new TER 980 SER A 64