USER MOD reduce.3.24.130724 H: found=0, std=0, add=389, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 389 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 ALA N :NH3+ 140:sc= 1.21 (180deg=1.1) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -40:sc= 1.09 USER MOD Single : A 10 TYR OH : rot 103:sc= 0.141 USER MOD Single : A 12 TYR OH : rot 157:sc= 0.964 USER MOD Single : A 21 ASN : amide:sc= 0.161 X(o=0.16,f=-0.01) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -90:sc= -1.97 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot -57:sc= 0.488 USER MOD Single : A 45 LYS NZ :NH3+ -165:sc= 0.858 (180deg=0.62) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 3.803 -9.080 -3.025 1.00 0.00 N ATOM 2 CA ALA A 1 3.612 -7.711 -3.586 1.00 0.00 C ATOM 3 C ALA A 1 3.076 -6.766 -2.509 1.00 0.00 C ATOM 4 O ALA A 1 2.192 -7.117 -1.750 1.00 0.00 O ATOM 5 CB ALA A 1 2.587 -7.882 -4.707 1.00 0.00 C ATOM 0 H1 ALA A 1 3.502 -9.787 -3.726 1.00 0.00 H new ATOM 0 H2 ALA A 1 4.807 -9.224 -2.796 1.00 0.00 H new ATOM 0 H3 ALA A 1 3.233 -9.184 -2.161 1.00 0.00 H new ATOM 0 HA ALA A 1 4.545 -7.280 -3.948 1.00 0.00 H new ATOM 0 HB1 ALA A 1 2.392 -6.916 -5.172 1.00 0.00 H new ATOM 0 HB2 ALA A 1 2.978 -8.572 -5.455 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.660 -8.280 -4.295 1.00 0.00 H new ATOM 13 N LYS A 2 3.605 -5.571 -2.439 1.00 0.00 N ATOM 14 CA LYS A 2 3.133 -4.595 -1.414 1.00 0.00 C ATOM 15 C LYS A 2 2.777 -3.261 -2.076 1.00 0.00 C ATOM 16 O LYS A 2 2.943 -3.085 -3.268 1.00 0.00 O ATOM 17 CB LYS A 2 4.311 -4.424 -0.455 1.00 0.00 C ATOM 18 CG LYS A 2 4.292 -5.547 0.587 1.00 0.00 C ATOM 19 CD LYS A 2 5.728 -5.964 0.918 1.00 0.00 C ATOM 20 CE LYS A 2 6.237 -5.144 2.106 1.00 0.00 C ATOM 21 NZ LYS A 2 7.564 -5.732 2.437 1.00 0.00 N ATOM 0 H LYS A 2 4.346 -5.229 -3.051 1.00 0.00 H new ATOM 0 HA LYS A 2 2.237 -4.940 -0.898 1.00 0.00 H new ATOM 0 HB2 LYS A 2 5.250 -4.444 -1.009 1.00 0.00 H new ATOM 0 HB3 LYS A 2 4.253 -3.454 0.039 1.00 0.00 H new ATOM 0 HG2 LYS A 2 3.783 -5.210 1.490 1.00 0.00 H new ATOM 0 HG3 LYS A 2 3.733 -6.402 0.206 1.00 0.00 H new ATOM 0 HD2 LYS A 2 5.764 -7.027 1.155 1.00 0.00 H new ATOM 0 HD3 LYS A 2 6.372 -5.808 0.052 1.00 0.00 H new ATOM 0 HE2 LYS A 2 6.326 -4.089 1.848 1.00 0.00 H new ATOM 0 HE3 LYS A 2 5.554 -5.209 2.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 7.978 -5.222 3.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 7.447 -6.735 2.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 8.195 -5.650 1.615 1.00 0.00 H new ATOM 35 N TRP A 3 2.289 -2.322 -1.306 1.00 0.00 N ATOM 36 CA TRP A 3 1.916 -0.991 -1.875 1.00 0.00 C ATOM 37 C TRP A 3 2.302 0.110 -0.889 1.00 0.00 C ATOM 38 O TRP A 3 1.688 0.259 0.151 1.00 0.00 O ATOM 39 CB TRP A 3 0.398 -1.041 -2.041 1.00 0.00 C ATOM 40 CG TRP A 3 0.048 -1.633 -3.364 1.00 0.00 C ATOM 41 CD1 TRP A 3 0.170 -2.938 -3.697 1.00 0.00 C ATOM 42 CD2 TRP A 3 -0.494 -0.961 -4.527 1.00 0.00 C ATOM 43 NE1 TRP A 3 -0.249 -3.102 -5.008 1.00 0.00 N ATOM 44 CE2 TRP A 3 -0.671 -1.908 -5.559 1.00 0.00 C ATOM 45 CE3 TRP A 3 -0.840 0.372 -4.779 1.00 0.00 C ATOM 46 CZ2 TRP A 3 -1.177 -1.541 -6.807 1.00 0.00 C ATOM 47 CZ3 TRP A 3 -1.352 0.749 -6.030 1.00 0.00 C ATOM 48 CH2 TRP A 3 -1.519 -0.206 -7.043 1.00 0.00 C ATOM 0 H TRP A 3 2.132 -2.420 -0.303 1.00 0.00 H new ATOM 0 HA TRP A 3 2.421 -0.783 -2.818 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -0.044 -1.633 -1.240 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -0.018 -0.037 -1.961 1.00 0.00 H new ATOM 0 HD1 TRP A 3 0.533 -3.722 -3.049 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -0.246 -3.993 -5.504 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -0.712 1.115 -4.006 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -1.303 -2.281 -7.583 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -1.619 1.779 -6.213 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -1.912 0.089 -8.005 1.00 0.00 H new ATOM 59 N VAL A 4 3.320 0.874 -1.198 1.00 0.00 N ATOM 60 CA VAL A 4 3.748 1.954 -0.260 1.00 0.00 C ATOM 61 C VAL A 4 2.924 3.224 -0.466 1.00 0.00 C ATOM 62 O VAL A 4 2.487 3.533 -1.558 1.00 0.00 O ATOM 63 CB VAL A 4 5.233 2.201 -0.565 1.00 0.00 C ATOM 64 CG1 VAL A 4 5.404 2.643 -2.022 1.00 0.00 C ATOM 65 CG2 VAL A 4 5.775 3.295 0.366 1.00 0.00 C ATOM 0 H VAL A 4 3.869 0.797 -2.054 1.00 0.00 H new ATOM 0 HA VAL A 4 3.596 1.664 0.779 1.00 0.00 H new ATOM 0 HB VAL A 4 5.786 1.276 -0.404 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.460 2.816 -2.228 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.027 1.864 -2.685 1.00 0.00 H new ATOM 0 HG13 VAL A 4 4.846 3.564 -2.191 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.829 3.469 0.148 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.215 4.217 0.209 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.667 2.977 1.403 1.00 0.00 H new ATOM 75 N LEU A 5 2.720 3.955 0.594 1.00 0.00 N ATOM 76 CA LEU A 5 1.936 5.214 0.515 1.00 0.00 C ATOM 77 C LEU A 5 2.884 6.416 0.622 1.00 0.00 C ATOM 78 O LEU A 5 3.538 6.611 1.630 1.00 0.00 O ATOM 79 CB LEU A 5 0.992 5.150 1.724 1.00 0.00 C ATOM 80 CG LEU A 5 -0.456 5.367 1.286 1.00 0.00 C ATOM 81 CD1 LEU A 5 -1.357 5.334 2.519 1.00 0.00 C ATOM 82 CD2 LEU A 5 -0.598 6.726 0.590 1.00 0.00 C ATOM 0 H LEU A 5 3.070 3.728 1.525 1.00 0.00 H new ATOM 0 HA LEU A 5 1.390 5.323 -0.422 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.088 4.182 2.217 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.275 5.909 2.454 1.00 0.00 H new ATOM 0 HG LEU A 5 -0.745 4.580 0.589 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -2.393 5.488 2.217 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -1.263 4.367 3.013 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.059 6.124 3.209 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -1.634 6.871 0.282 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -0.310 7.520 1.279 1.00 0.00 H new ATOM 0 HD23 LEU A 5 0.049 6.755 -0.287 1.00 0.00 H new ATOM 94 N LYS A 6 2.966 7.214 -0.411 1.00 0.00 N ATOM 95 CA LYS A 6 3.880 8.403 -0.384 1.00 0.00 C ATOM 96 C LYS A 6 3.582 9.310 0.819 1.00 0.00 C ATOM 97 O LYS A 6 4.417 10.094 1.229 1.00 0.00 O ATOM 98 CB LYS A 6 3.601 9.151 -1.688 1.00 0.00 C ATOM 99 CG LYS A 6 4.319 8.451 -2.843 1.00 0.00 C ATOM 100 CD LYS A 6 5.782 8.897 -2.878 1.00 0.00 C ATOM 101 CE LYS A 6 6.397 8.524 -4.228 1.00 0.00 C ATOM 102 NZ LYS A 6 7.746 9.153 -4.223 1.00 0.00 N ATOM 0 H LYS A 6 2.439 7.096 -1.276 1.00 0.00 H new ATOM 0 HA LYS A 6 4.923 8.099 -0.291 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.528 9.183 -1.879 1.00 0.00 H new ATOM 0 HB3 LYS A 6 3.941 10.183 -1.607 1.00 0.00 H new ATOM 0 HG2 LYS A 6 4.260 7.370 -2.720 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.831 8.692 -3.788 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.849 9.974 -2.721 1.00 0.00 H new ATOM 0 HD3 LYS A 6 6.338 8.422 -2.070 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.466 7.443 -4.345 1.00 0.00 H new ATOM 0 HE3 LYS A 6 5.791 8.896 -5.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 8.231 8.941 -5.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 7.648 10.183 -4.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.303 8.775 -3.430 1.00 0.00 H new ATOM 116 N ILE A 7 2.402 9.217 1.378 1.00 0.00 N ATOM 117 CA ILE A 7 2.051 10.083 2.547 1.00 0.00 C ATOM 118 C ILE A 7 2.918 9.730 3.765 1.00 0.00 C ATOM 119 O ILE A 7 3.586 10.583 4.321 1.00 0.00 O ATOM 120 CB ILE A 7 0.570 9.803 2.830 1.00 0.00 C ATOM 121 CG1 ILE A 7 -0.263 10.193 1.605 1.00 0.00 C ATOM 122 CG2 ILE A 7 0.104 10.626 4.035 1.00 0.00 C ATOM 123 CD1 ILE A 7 -1.703 9.718 1.793 1.00 0.00 C ATOM 0 H ILE A 7 1.666 8.579 1.076 1.00 0.00 H new ATOM 0 HA ILE A 7 2.229 11.138 2.338 1.00 0.00 H new ATOM 0 HB ILE A 7 0.442 8.742 3.045 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.241 11.274 1.467 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.163 9.748 0.706 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.949 10.422 4.230 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.694 10.355 4.911 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.235 11.687 3.823 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.295 9.996 0.921 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.716 8.634 1.910 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -2.127 10.184 2.682 1.00 0.00 H new ATOM 135 N THR A 8 2.905 8.489 4.190 1.00 0.00 N ATOM 136 CA THR A 8 3.722 8.100 5.384 1.00 0.00 C ATOM 137 C THR A 8 4.455 6.772 5.147 1.00 0.00 C ATOM 138 O THR A 8 4.748 6.046 6.079 1.00 0.00 O ATOM 139 CB THR A 8 2.713 7.963 6.530 1.00 0.00 C ATOM 140 OG1 THR A 8 3.396 7.582 7.716 1.00 0.00 O ATOM 141 CG2 THR A 8 1.662 6.903 6.183 1.00 0.00 C ATOM 0 H THR A 8 2.368 7.733 3.765 1.00 0.00 H new ATOM 0 HA THR A 8 4.494 8.839 5.601 1.00 0.00 H new ATOM 0 HB THR A 8 2.215 8.920 6.683 1.00 0.00 H new ATOM 0 HG1 THR A 8 4.084 6.919 7.499 1.00 0.00 H new ATOM 0 HG21 THR A 8 0.950 6.814 7.004 1.00 0.00 H new ATOM 0 HG22 THR A 8 1.134 7.197 5.276 1.00 0.00 H new ATOM 0 HG23 THR A 8 2.153 5.943 6.022 1.00 0.00 H new ATOM 149 N GLY A 9 4.759 6.454 3.915 1.00 0.00 N ATOM 150 CA GLY A 9 5.478 5.178 3.620 1.00 0.00 C ATOM 151 C GLY A 9 4.654 3.975 4.098 1.00 0.00 C ATOM 152 O GLY A 9 5.178 2.891 4.266 1.00 0.00 O ATOM 0 H GLY A 9 4.540 7.024 3.098 1.00 0.00 H new ATOM 0 HA2 GLY A 9 5.663 5.097 2.549 1.00 0.00 H new ATOM 0 HA3 GLY A 9 6.450 5.179 4.112 1.00 0.00 H new ATOM 156 N TYR A 10 3.369 4.151 4.305 1.00 0.00 N ATOM 157 CA TYR A 10 2.516 3.005 4.756 1.00 0.00 C ATOM 158 C TYR A 10 2.539 1.913 3.670 1.00 0.00 C ATOM 159 O TYR A 10 2.367 2.194 2.499 1.00 0.00 O ATOM 160 CB TYR A 10 1.112 3.619 4.952 1.00 0.00 C ATOM 161 CG TYR A 10 0.044 2.546 4.976 1.00 0.00 C ATOM 162 CD1 TYR A 10 -0.469 2.059 3.772 1.00 0.00 C ATOM 163 CD2 TYR A 10 -0.427 2.044 6.194 1.00 0.00 C ATOM 164 CE1 TYR A 10 -1.454 1.069 3.779 1.00 0.00 C ATOM 165 CE2 TYR A 10 -1.415 1.051 6.204 1.00 0.00 C ATOM 166 CZ TYR A 10 -1.929 0.563 4.996 1.00 0.00 C ATOM 167 OH TYR A 10 -2.902 -0.415 5.005 1.00 0.00 O ATOM 0 H TYR A 10 2.876 5.036 4.181 1.00 0.00 H new ATOM 0 HA TYR A 10 2.856 2.530 5.677 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.086 4.183 5.884 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.905 4.324 4.147 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -0.103 2.449 2.834 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -0.030 2.421 7.125 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -1.849 0.694 2.847 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -1.780 0.662 7.143 1.00 0.00 H new ATOM 0 HH TYR A 10 -2.490 -1.284 5.192 1.00 0.00 H new ATOM 177 N ILE A 11 2.773 0.681 4.051 1.00 0.00 N ATOM 178 CA ILE A 11 2.834 -0.421 3.037 1.00 0.00 C ATOM 179 C ILE A 11 1.667 -1.399 3.202 1.00 0.00 C ATOM 180 O ILE A 11 1.555 -2.071 4.211 1.00 0.00 O ATOM 181 CB ILE A 11 4.147 -1.169 3.313 1.00 0.00 C ATOM 182 CG1 ILE A 11 5.337 -0.192 3.355 1.00 0.00 C ATOM 183 CG2 ILE A 11 4.379 -2.212 2.215 1.00 0.00 C ATOM 184 CD1 ILE A 11 5.477 0.540 2.016 1.00 0.00 C ATOM 0 H ILE A 11 2.924 0.390 5.017 1.00 0.00 H new ATOM 0 HA ILE A 11 2.779 -0.012 2.028 1.00 0.00 H new ATOM 0 HB ILE A 11 4.070 -1.661 4.283 1.00 0.00 H new ATOM 0 HG12 ILE A 11 5.194 0.531 4.158 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.255 -0.737 3.576 1.00 0.00 H new ATOM 0 HG21 ILE A 11 5.310 -2.744 2.409 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.551 -2.921 2.206 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.441 -1.714 1.247 1.00 0.00 H new ATOM 0 HD11 ILE A 11 6.323 1.226 2.063 1.00 0.00 H new ATOM 0 HD12 ILE A 11 5.643 -0.186 1.220 1.00 0.00 H new ATOM 0 HD13 ILE A 11 4.565 1.101 1.811 1.00 0.00 H new ATOM 196 N TYR A 12 0.829 -1.522 2.202 1.00 0.00 N ATOM 197 CA TYR A 12 -0.293 -2.502 2.286 1.00 0.00 C ATOM 198 C TYR A 12 0.250 -3.864 1.841 1.00 0.00 C ATOM 199 O TYR A 12 0.611 -4.047 0.693 1.00 0.00 O ATOM 200 CB TYR A 12 -1.385 -1.972 1.330 1.00 0.00 C ATOM 201 CG TYR A 12 -2.395 -3.060 0.992 1.00 0.00 C ATOM 202 CD1 TYR A 12 -3.360 -3.440 1.934 1.00 0.00 C ATOM 203 CD2 TYR A 12 -2.365 -3.685 -0.268 1.00 0.00 C ATOM 204 CE1 TYR A 12 -4.291 -4.440 1.621 1.00 0.00 C ATOM 205 CE2 TYR A 12 -3.302 -4.684 -0.576 1.00 0.00 C ATOM 206 CZ TYR A 12 -4.261 -5.058 0.370 1.00 0.00 C ATOM 207 OH TYR A 12 -5.184 -6.039 0.071 1.00 0.00 O ATOM 0 H TYR A 12 0.875 -0.987 1.335 1.00 0.00 H new ATOM 0 HA TYR A 12 -0.708 -2.617 3.288 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -1.897 -1.127 1.791 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -0.923 -1.604 0.414 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -3.387 -2.962 2.902 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -1.622 -3.397 -0.997 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -5.033 -4.733 2.349 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -3.282 -5.163 -1.544 1.00 0.00 H new ATOM 0 HH TYR A 12 -5.285 -6.107 -0.901 1.00 0.00 H new ATOM 217 N ASP A 13 0.316 -4.810 2.738 1.00 0.00 N ATOM 218 CA ASP A 13 0.846 -6.152 2.365 1.00 0.00 C ATOM 219 C ASP A 13 -0.239 -6.948 1.640 1.00 0.00 C ATOM 220 O ASP A 13 -0.940 -7.749 2.222 1.00 0.00 O ATOM 221 CB ASP A 13 1.235 -6.822 3.690 1.00 0.00 C ATOM 222 CG ASP A 13 0.023 -6.923 4.630 1.00 0.00 C ATOM 223 OD1 ASP A 13 -1.017 -6.370 4.304 1.00 0.00 O ATOM 224 OD2 ASP A 13 0.158 -7.557 5.663 1.00 0.00 O ATOM 0 H ASP A 13 0.026 -4.712 3.711 1.00 0.00 H new ATOM 0 HA ASP A 13 1.701 -6.092 1.692 1.00 0.00 H new ATOM 0 HB2 ASP A 13 1.633 -7.818 3.495 1.00 0.00 H new ATOM 0 HB3 ASP A 13 2.028 -6.250 4.172 1.00 0.00 H new ATOM 229 N GLU A 14 -0.376 -6.716 0.359 1.00 0.00 N ATOM 230 CA GLU A 14 -1.416 -7.433 -0.446 1.00 0.00 C ATOM 231 C GLU A 14 -1.293 -8.953 -0.273 1.00 0.00 C ATOM 232 O GLU A 14 -2.250 -9.677 -0.468 1.00 0.00 O ATOM 233 CB GLU A 14 -1.147 -7.023 -1.898 1.00 0.00 C ATOM 234 CG GLU A 14 -2.249 -7.568 -2.800 1.00 0.00 C ATOM 235 CD GLU A 14 -1.640 -8.084 -4.107 1.00 0.00 C ATOM 236 OE1 GLU A 14 -1.123 -9.189 -4.101 1.00 0.00 O ATOM 237 OE2 GLU A 14 -1.703 -7.366 -5.091 1.00 0.00 O ATOM 0 H GLU A 14 0.193 -6.055 -0.170 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.426 -7.173 -0.130 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -1.104 -5.937 -1.977 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.178 -7.405 -2.220 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.782 -8.373 -2.293 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.979 -6.786 -3.011 1.00 0.00 H new ATOM 244 N ASP A 15 -0.136 -9.437 0.110 1.00 0.00 N ATOM 245 CA ASP A 15 0.022 -10.910 0.317 1.00 0.00 C ATOM 246 C ASP A 15 -0.886 -11.353 1.467 1.00 0.00 C ATOM 247 O ASP A 15 -1.364 -12.471 1.502 1.00 0.00 O ATOM 248 CB ASP A 15 1.494 -11.115 0.681 1.00 0.00 C ATOM 249 CG ASP A 15 2.364 -10.887 -0.557 1.00 0.00 C ATOM 250 OD1 ASP A 15 2.021 -10.023 -1.347 1.00 0.00 O ATOM 251 OD2 ASP A 15 3.357 -11.581 -0.694 1.00 0.00 O ATOM 0 H ASP A 15 0.700 -8.880 0.287 1.00 0.00 H new ATOM 0 HA ASP A 15 -0.251 -11.491 -0.564 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.783 -10.425 1.473 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.647 -12.123 1.065 1.00 0.00 H new ATOM 256 N ALA A 16 -1.134 -10.469 2.401 1.00 0.00 N ATOM 257 CA ALA A 16 -2.018 -10.801 3.554 1.00 0.00 C ATOM 258 C ALA A 16 -3.298 -9.968 3.472 1.00 0.00 C ATOM 259 O ALA A 16 -4.374 -10.429 3.801 1.00 0.00 O ATOM 260 CB ALA A 16 -1.214 -10.412 4.796 1.00 0.00 C ATOM 0 H ALA A 16 -0.756 -9.522 2.411 1.00 0.00 H new ATOM 0 HA ALA A 16 -2.308 -11.852 3.570 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -1.799 -10.627 5.690 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.287 -10.984 4.823 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.983 -9.347 4.761 1.00 0.00 H new ATOM 266 N GLY A 17 -3.178 -8.740 3.039 1.00 0.00 N ATOM 267 CA GLY A 17 -4.373 -7.857 2.932 1.00 0.00 C ATOM 268 C GLY A 17 -4.281 -6.740 3.971 1.00 0.00 C ATOM 269 O GLY A 17 -3.510 -5.811 3.830 1.00 0.00 O ATOM 0 H GLY A 17 -2.298 -8.310 2.754 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.434 -7.431 1.930 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.282 -8.438 3.088 1.00 0.00 H new ATOM 273 N ASP A 18 -5.064 -6.824 5.017 1.00 0.00 N ATOM 274 CA ASP A 18 -5.037 -5.766 6.075 1.00 0.00 C ATOM 275 C ASP A 18 -5.971 -6.159 7.228 1.00 0.00 C ATOM 276 O ASP A 18 -7.136 -5.816 7.218 1.00 0.00 O ATOM 277 CB ASP A 18 -5.541 -4.483 5.396 1.00 0.00 C ATOM 278 CG ASP A 18 -4.652 -3.304 5.802 1.00 0.00 C ATOM 279 OD1 ASP A 18 -3.556 -3.206 5.276 1.00 0.00 O ATOM 280 OD2 ASP A 18 -5.083 -2.521 6.632 1.00 0.00 O ATOM 0 H ASP A 18 -5.724 -7.583 5.185 1.00 0.00 H new ATOM 0 HA ASP A 18 -4.038 -5.632 6.491 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -5.530 -4.604 4.313 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -6.574 -4.289 5.684 1.00 0.00 H new ATOM 285 N PRO A 19 -5.432 -6.860 8.199 1.00 0.00 N ATOM 286 CA PRO A 19 -6.248 -7.279 9.366 1.00 0.00 C ATOM 287 C PRO A 19 -6.708 -6.053 10.170 1.00 0.00 C ATOM 288 O PRO A 19 -7.618 -6.140 10.972 1.00 0.00 O ATOM 289 CB PRO A 19 -5.296 -8.164 10.171 1.00 0.00 C ATOM 290 CG PRO A 19 -3.931 -7.723 9.760 1.00 0.00 C ATOM 291 CD PRO A 19 -4.042 -7.321 8.314 1.00 0.00 C ATOM 0 HA PRO A 19 -7.162 -7.804 9.090 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -5.448 -8.036 11.243 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -5.454 -9.220 9.950 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.590 -6.888 10.372 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -3.207 -8.527 9.887 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.334 -6.532 8.060 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.839 -8.159 7.647 1.00 0.00 H new ATOM 299 N ASP A 20 -6.095 -4.912 9.952 1.00 0.00 N ATOM 300 CA ASP A 20 -6.509 -3.683 10.692 1.00 0.00 C ATOM 301 C ASP A 20 -7.762 -3.085 10.042 1.00 0.00 C ATOM 302 O ASP A 20 -8.586 -2.479 10.701 1.00 0.00 O ATOM 303 CB ASP A 20 -5.325 -2.722 10.567 1.00 0.00 C ATOM 304 CG ASP A 20 -5.466 -1.599 11.596 1.00 0.00 C ATOM 305 OD1 ASP A 20 -5.161 -1.839 12.751 1.00 0.00 O ATOM 306 OD2 ASP A 20 -5.876 -0.517 11.208 1.00 0.00 O ATOM 0 H ASP A 20 -5.327 -4.782 9.293 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.752 -3.886 11.735 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.390 -3.259 10.725 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -5.287 -2.305 9.561 1.00 0.00 H new ATOM 311 N ASN A 21 -7.909 -3.260 8.752 1.00 0.00 N ATOM 312 CA ASN A 21 -9.109 -2.715 8.045 1.00 0.00 C ATOM 313 C ASN A 21 -10.135 -3.828 7.779 1.00 0.00 C ATOM 314 O ASN A 21 -11.082 -3.634 7.040 1.00 0.00 O ATOM 315 CB ASN A 21 -8.572 -2.156 6.719 1.00 0.00 C ATOM 316 CG ASN A 21 -8.381 -0.641 6.842 1.00 0.00 C ATOM 317 OD1 ASN A 21 -9.340 0.095 6.959 1.00 0.00 O ATOM 318 ND2 ASN A 21 -7.175 -0.143 6.820 1.00 0.00 N ATOM 0 H ASN A 21 -7.248 -3.758 8.157 1.00 0.00 H new ATOM 0 HA ASN A 21 -9.618 -1.954 8.637 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -7.625 -2.633 6.468 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.266 -2.381 5.910 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -7.038 0.864 6.901 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.370 -0.761 6.722 1.00 0.00 H new ATOM 325 N GLY A 22 -9.956 -4.999 8.363 1.00 0.00 N ATOM 326 CA GLY A 22 -10.924 -6.121 8.126 1.00 0.00 C ATOM 327 C GLY A 22 -11.066 -6.354 6.620 1.00 0.00 C ATOM 328 O GLY A 22 -12.085 -6.048 6.031 1.00 0.00 O ATOM 0 H GLY A 22 -9.183 -5.221 8.990 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -10.573 -7.030 8.615 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -11.893 -5.879 8.562 1.00 0.00 H new ATOM 332 N ILE A 23 -10.036 -6.861 5.991 1.00 0.00 N ATOM 333 CA ILE A 23 -10.090 -7.077 4.516 1.00 0.00 C ATOM 334 C ILE A 23 -9.829 -8.540 4.155 1.00 0.00 C ATOM 335 O ILE A 23 -9.322 -9.314 4.945 1.00 0.00 O ATOM 336 CB ILE A 23 -8.984 -6.171 3.954 1.00 0.00 C ATOM 337 CG1 ILE A 23 -9.251 -4.707 4.351 1.00 0.00 C ATOM 338 CG2 ILE A 23 -8.933 -6.282 2.428 1.00 0.00 C ATOM 339 CD1 ILE A 23 -10.620 -4.249 3.827 1.00 0.00 C ATOM 0 H ILE A 23 -9.160 -7.134 6.437 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.072 -6.842 4.106 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.028 -6.491 4.369 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.218 -4.606 5.436 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.467 -4.066 3.947 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.145 -5.635 2.042 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.726 -7.314 2.145 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -9.891 -5.976 2.009 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -10.792 -3.212 4.117 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.639 -4.330 2.740 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -11.402 -4.879 4.252 1.00 0.00 H new ATOM 351 N SER A 24 -10.178 -8.908 2.951 1.00 0.00 N ATOM 352 CA SER A 24 -9.966 -10.311 2.486 1.00 0.00 C ATOM 353 C SER A 24 -8.473 -10.678 2.549 1.00 0.00 C ATOM 354 O SER A 24 -7.629 -9.837 2.316 1.00 0.00 O ATOM 355 CB SER A 24 -10.454 -10.317 1.035 1.00 0.00 C ATOM 356 OG SER A 24 -11.768 -10.858 0.985 1.00 0.00 O ATOM 0 H SER A 24 -10.606 -8.290 2.262 1.00 0.00 H new ATOM 0 HA SER A 24 -10.495 -11.035 3.105 1.00 0.00 H new ATOM 0 HB2 SER A 24 -10.450 -9.304 0.633 1.00 0.00 H new ATOM 0 HB3 SER A 24 -9.781 -10.909 0.415 1.00 0.00 H new ATOM 0 HG SER A 24 -12.085 -10.862 0.058 1.00 0.00 H new ATOM 362 N PRO A 25 -8.186 -11.927 2.859 1.00 0.00 N ATOM 363 CA PRO A 25 -6.773 -12.372 2.937 1.00 0.00 C ATOM 364 C PRO A 25 -6.195 -12.524 1.527 1.00 0.00 C ATOM 365 O PRO A 25 -6.676 -13.317 0.739 1.00 0.00 O ATOM 366 CB PRO A 25 -6.856 -13.724 3.637 1.00 0.00 C ATOM 367 CG PRO A 25 -8.236 -14.228 3.356 1.00 0.00 C ATOM 368 CD PRO A 25 -9.123 -13.025 3.160 1.00 0.00 C ATOM 0 HA PRO A 25 -6.128 -11.669 3.464 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -6.101 -14.411 3.256 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -6.684 -13.624 4.709 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -8.241 -14.858 2.466 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -8.597 -14.841 4.182 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -9.829 -13.180 2.344 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.710 -12.813 4.054 1.00 0.00 H new ATOM 376 N GLY A 26 -5.177 -11.766 1.199 1.00 0.00 N ATOM 377 CA GLY A 26 -4.584 -11.862 -0.165 1.00 0.00 C ATOM 378 C GLY A 26 -5.489 -11.113 -1.140 1.00 0.00 C ATOM 379 O GLY A 26 -6.089 -11.697 -2.022 1.00 0.00 O ATOM 0 H GLY A 26 -4.734 -11.087 1.818 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.582 -11.434 -0.173 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.487 -12.906 -0.463 1.00 0.00 H new ATOM 383 N THR A 27 -5.597 -9.823 -0.971 1.00 0.00 N ATOM 384 CA THR A 27 -6.470 -9.010 -1.861 1.00 0.00 C ATOM 385 C THR A 27 -5.618 -7.999 -2.636 1.00 0.00 C ATOM 386 O THR A 27 -4.873 -7.235 -2.058 1.00 0.00 O ATOM 387 CB THR A 27 -7.442 -8.313 -0.885 1.00 0.00 C ATOM 388 OG1 THR A 27 -8.444 -9.238 -0.490 1.00 0.00 O ATOM 389 CG2 THR A 27 -8.112 -7.094 -1.539 1.00 0.00 C ATOM 0 H THR A 27 -5.112 -9.294 -0.246 1.00 0.00 H new ATOM 0 HA THR A 27 -7.001 -9.595 -2.612 1.00 0.00 H new ATOM 0 HB THR A 27 -6.874 -7.969 -0.020 1.00 0.00 H new ATOM 0 HG1 THR A 27 -9.201 -9.185 -1.110 1.00 0.00 H new ATOM 0 HG21 THR A 27 -8.790 -6.625 -0.826 1.00 0.00 H new ATOM 0 HG22 THR A 27 -7.348 -6.376 -1.839 1.00 0.00 H new ATOM 0 HG23 THR A 27 -8.673 -7.415 -2.417 1.00 0.00 H new ATOM 397 N LYS A 28 -5.739 -7.983 -3.939 1.00 0.00 N ATOM 398 CA LYS A 28 -4.954 -7.014 -4.753 1.00 0.00 C ATOM 399 C LYS A 28 -5.335 -5.582 -4.358 1.00 0.00 C ATOM 400 O LYS A 28 -6.493 -5.217 -4.409 1.00 0.00 O ATOM 401 CB LYS A 28 -5.348 -7.293 -6.206 1.00 0.00 C ATOM 402 CG LYS A 28 -4.461 -8.404 -6.772 1.00 0.00 C ATOM 403 CD LYS A 28 -4.855 -9.744 -6.146 1.00 0.00 C ATOM 404 CE LYS A 28 -4.419 -10.886 -7.066 1.00 0.00 C ATOM 405 NZ LYS A 28 -4.825 -12.130 -6.354 1.00 0.00 N ATOM 0 H LYS A 28 -6.350 -8.602 -4.473 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.880 -7.119 -4.602 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.396 -7.587 -6.259 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.240 -6.388 -6.803 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.568 -8.452 -7.856 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.413 -8.188 -6.564 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.386 -9.852 -5.168 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.933 -9.781 -5.989 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.901 -10.814 -8.041 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.343 -10.864 -7.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.559 -12.959 -6.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.345 -12.175 -5.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.855 -12.126 -6.208 1.00 0.00 H new ATOM 419 N PHE A 29 -4.378 -4.767 -3.960 1.00 0.00 N ATOM 420 CA PHE A 29 -4.700 -3.348 -3.560 1.00 0.00 C ATOM 421 C PHE A 29 -5.578 -2.670 -4.626 1.00 0.00 C ATOM 422 O PHE A 29 -6.549 -2.008 -4.310 1.00 0.00 O ATOM 423 CB PHE A 29 -3.337 -2.653 -3.450 1.00 0.00 C ATOM 424 CG PHE A 29 -3.519 -1.198 -3.079 1.00 0.00 C ATOM 425 CD1 PHE A 29 -3.667 -0.235 -4.084 1.00 0.00 C ATOM 426 CD2 PHE A 29 -3.532 -0.811 -1.732 1.00 0.00 C ATOM 427 CE1 PHE A 29 -3.830 1.114 -3.743 1.00 0.00 C ATOM 428 CE2 PHE A 29 -3.694 0.536 -1.395 1.00 0.00 C ATOM 429 CZ PHE A 29 -3.844 1.497 -2.399 1.00 0.00 C ATOM 0 H PHE A 29 -3.392 -5.020 -3.895 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.260 -3.299 -2.626 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.725 -3.153 -2.699 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.804 -2.730 -4.398 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.656 -0.532 -5.122 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.417 -1.553 -0.955 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.945 1.857 -4.518 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.703 0.835 -0.357 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.971 2.537 -2.136 1.00 0.00 H new ATOM 439 N GLU A 30 -5.250 -2.850 -5.879 1.00 0.00 N ATOM 440 CA GLU A 30 -6.076 -2.238 -6.964 1.00 0.00 C ATOM 441 C GLU A 30 -7.471 -2.888 -6.998 1.00 0.00 C ATOM 442 O GLU A 30 -8.410 -2.331 -7.535 1.00 0.00 O ATOM 443 CB GLU A 30 -5.308 -2.512 -8.268 1.00 0.00 C ATOM 444 CG GLU A 30 -5.212 -4.022 -8.528 1.00 0.00 C ATOM 445 CD GLU A 30 -4.071 -4.301 -9.507 1.00 0.00 C ATOM 446 OE1 GLU A 30 -2.931 -4.299 -9.073 1.00 0.00 O ATOM 447 OE2 GLU A 30 -4.357 -4.511 -10.674 1.00 0.00 O ATOM 0 H GLU A 30 -4.448 -3.393 -6.198 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.230 -1.170 -6.812 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.811 -2.025 -9.103 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.308 -2.084 -8.205 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.039 -4.552 -7.592 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.153 -4.392 -8.935 1.00 0.00 H new ATOM 454 N GLU A 31 -7.605 -4.067 -6.434 1.00 0.00 N ATOM 455 CA GLU A 31 -8.925 -4.766 -6.434 1.00 0.00 C ATOM 456 C GLU A 31 -9.746 -4.410 -5.185 1.00 0.00 C ATOM 457 O GLU A 31 -10.938 -4.647 -5.143 1.00 0.00 O ATOM 458 CB GLU A 31 -8.579 -6.255 -6.436 1.00 0.00 C ATOM 459 CG GLU A 31 -9.825 -7.069 -6.790 1.00 0.00 C ATOM 460 CD GLU A 31 -9.635 -8.518 -6.337 1.00 0.00 C ATOM 461 OE1 GLU A 31 -9.310 -8.717 -5.178 1.00 0.00 O ATOM 462 OE2 GLU A 31 -9.818 -9.404 -7.156 1.00 0.00 O ATOM 0 H GLU A 31 -6.851 -4.575 -5.972 1.00 0.00 H new ATOM 0 HA GLU A 31 -9.533 -4.476 -7.291 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.785 -6.454 -7.156 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.203 -6.553 -5.457 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -10.703 -6.638 -6.308 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.002 -7.033 -7.865 1.00 0.00 H new ATOM 469 N LEU A 32 -9.129 -3.841 -4.166 1.00 0.00 N ATOM 470 CA LEU A 32 -9.900 -3.473 -2.926 1.00 0.00 C ATOM 471 C LEU A 32 -11.127 -2.617 -3.311 1.00 0.00 C ATOM 472 O LEU A 32 -11.138 -2.022 -4.371 1.00 0.00 O ATOM 473 CB LEU A 32 -8.913 -2.680 -2.058 1.00 0.00 C ATOM 474 CG LEU A 32 -8.355 -3.578 -0.944 1.00 0.00 C ATOM 475 CD1 LEU A 32 -7.287 -2.816 -0.159 1.00 0.00 C ATOM 476 CD2 LEU A 32 -9.478 -3.999 0.008 1.00 0.00 C ATOM 0 H LEU A 32 -8.134 -3.618 -4.140 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.280 -4.344 -2.392 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.097 -2.301 -2.674 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.413 -1.814 -1.623 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.917 -4.468 -1.395 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.892 -3.454 0.631 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.479 -2.527 -0.831 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.728 -1.923 0.283 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.070 -4.635 0.793 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.927 -3.112 0.456 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.238 -4.549 -0.547 1.00 0.00 H new ATOM 488 N PRO A 33 -12.140 -2.606 -2.472 1.00 0.00 N ATOM 489 CA PRO A 33 -13.371 -1.857 -2.774 1.00 0.00 C ATOM 490 C PRO A 33 -13.363 -0.494 -2.086 1.00 0.00 C ATOM 491 O PRO A 33 -12.344 -0.035 -1.606 1.00 0.00 O ATOM 492 CB PRO A 33 -14.448 -2.749 -2.162 1.00 0.00 C ATOM 493 CG PRO A 33 -13.756 -3.537 -1.077 1.00 0.00 C ATOM 494 CD PRO A 33 -12.271 -3.263 -1.175 1.00 0.00 C ATOM 0 HA PRO A 33 -13.508 -1.656 -3.836 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -15.264 -2.153 -1.754 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -14.881 -3.411 -2.912 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -14.133 -3.247 -0.096 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -13.955 -4.602 -1.193 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -11.925 -2.624 -0.363 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -11.688 -4.183 -1.128 1.00 0.00 H new ATOM 502 N ASP A 34 -14.505 0.140 -2.020 1.00 0.00 N ATOM 503 CA ASP A 34 -14.586 1.466 -1.345 1.00 0.00 C ATOM 504 C ASP A 34 -14.454 1.272 0.165 1.00 0.00 C ATOM 505 O ASP A 34 -14.288 0.167 0.645 1.00 0.00 O ATOM 506 CB ASP A 34 -15.968 2.019 -1.701 1.00 0.00 C ATOM 507 CG ASP A 34 -16.006 2.378 -3.188 1.00 0.00 C ATOM 508 OD1 ASP A 34 -15.314 3.306 -3.571 1.00 0.00 O ATOM 509 OD2 ASP A 34 -16.729 1.719 -3.918 1.00 0.00 O ATOM 0 H ASP A 34 -15.384 -0.205 -2.405 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.795 2.147 -1.659 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -16.737 1.280 -1.475 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -16.185 2.900 -1.097 1.00 0.00 H new ATOM 514 N ASP A 35 -14.520 2.341 0.920 1.00 0.00 N ATOM 515 CA ASP A 35 -14.396 2.258 2.420 1.00 0.00 C ATOM 516 C ASP A 35 -12.976 1.851 2.858 1.00 0.00 C ATOM 517 O ASP A 35 -12.712 1.732 4.040 1.00 0.00 O ATOM 518 CB ASP A 35 -15.426 1.219 2.891 1.00 0.00 C ATOM 519 CG ASP A 35 -15.939 1.602 4.280 1.00 0.00 C ATOM 520 OD1 ASP A 35 -16.850 2.409 4.353 1.00 0.00 O ATOM 521 OD2 ASP A 35 -15.410 1.081 5.249 1.00 0.00 O ATOM 0 H ASP A 35 -14.657 3.285 0.560 1.00 0.00 H new ATOM 0 HA ASP A 35 -14.583 3.235 2.866 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -16.256 1.169 2.186 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -14.972 0.228 2.920 1.00 0.00 H new ATOM 526 N TRP A 36 -12.052 1.664 1.937 1.00 0.00 N ATOM 527 CA TRP A 36 -10.661 1.302 2.341 1.00 0.00 C ATOM 528 C TRP A 36 -9.786 2.556 2.261 1.00 0.00 C ATOM 529 O TRP A 36 -9.407 2.986 1.189 1.00 0.00 O ATOM 530 CB TRP A 36 -10.183 0.241 1.337 1.00 0.00 C ATOM 531 CG TRP A 36 -8.929 -0.394 1.862 1.00 0.00 C ATOM 532 CD1 TRP A 36 -8.874 -1.553 2.562 1.00 0.00 C ATOM 533 CD2 TRP A 36 -7.550 0.074 1.748 1.00 0.00 C ATOM 534 NE1 TRP A 36 -7.559 -1.820 2.888 1.00 0.00 N ATOM 535 CE2 TRP A 36 -6.705 -0.849 2.411 1.00 0.00 C ATOM 536 CE3 TRP A 36 -6.955 1.197 1.144 1.00 0.00 C ATOM 537 CZ2 TRP A 36 -5.325 -0.664 2.474 1.00 0.00 C ATOM 538 CZ3 TRP A 36 -5.566 1.384 1.205 1.00 0.00 C ATOM 539 CH2 TRP A 36 -4.752 0.456 1.870 1.00 0.00 C ATOM 0 H TRP A 36 -12.205 1.747 0.932 1.00 0.00 H new ATOM 0 HA TRP A 36 -10.610 0.915 3.359 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -10.955 -0.514 1.190 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -9.996 0.698 0.365 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -9.722 -2.169 2.823 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.256 -2.637 3.418 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -7.572 1.920 0.630 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -4.703 -1.383 2.987 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -5.120 2.249 0.736 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -3.684 0.608 1.915 1.00 0.00 H new ATOM 550 N VAL A 37 -9.480 3.155 3.385 1.00 0.00 N ATOM 551 CA VAL A 37 -8.641 4.392 3.373 1.00 0.00 C ATOM 552 C VAL A 37 -7.689 4.401 4.571 1.00 0.00 C ATOM 553 O VAL A 37 -8.110 4.454 5.711 1.00 0.00 O ATOM 554 CB VAL A 37 -9.637 5.556 3.464 1.00 0.00 C ATOM 555 CG1 VAL A 37 -8.880 6.890 3.510 1.00 0.00 C ATOM 556 CG2 VAL A 37 -10.546 5.546 2.235 1.00 0.00 C ATOM 0 H VAL A 37 -9.775 2.841 4.310 1.00 0.00 H new ATOM 0 HA VAL A 37 -8.022 4.459 2.478 1.00 0.00 H new ATOM 0 HB VAL A 37 -10.232 5.443 4.370 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -9.594 7.711 3.575 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -8.227 6.908 4.382 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -8.281 7.000 2.606 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -11.254 6.373 2.299 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.942 5.655 1.334 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -11.092 4.603 2.194 1.00 0.00 H new ATOM 566 N ALA A 38 -6.409 4.365 4.313 1.00 0.00 N ATOM 567 CA ALA A 38 -5.413 4.388 5.425 1.00 0.00 C ATOM 568 C ALA A 38 -5.122 5.841 5.847 1.00 0.00 C ATOM 569 O ALA A 38 -5.180 6.155 7.019 1.00 0.00 O ATOM 570 CB ALA A 38 -4.158 3.724 4.856 1.00 0.00 C ATOM 0 H ALA A 38 -6.008 4.320 3.376 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.773 3.868 6.313 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.379 3.704 5.618 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.393 2.704 4.551 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.807 4.290 3.993 1.00 0.00 H new ATOM 576 N PRO A 39 -4.821 6.693 4.883 1.00 0.00 N ATOM 577 CA PRO A 39 -4.532 8.110 5.202 1.00 0.00 C ATOM 578 C PRO A 39 -5.843 8.894 5.342 1.00 0.00 C ATOM 579 O PRO A 39 -6.904 8.317 5.489 1.00 0.00 O ATOM 580 CB PRO A 39 -3.736 8.592 3.994 1.00 0.00 C ATOM 581 CG PRO A 39 -4.142 7.703 2.859 1.00 0.00 C ATOM 582 CD PRO A 39 -4.717 6.434 3.438 1.00 0.00 C ATOM 0 HA PRO A 39 -3.992 8.243 6.140 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -3.956 9.636 3.771 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -2.664 8.525 4.180 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -4.879 8.202 2.230 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -3.283 7.478 2.227 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -5.692 6.208 3.006 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -4.072 5.579 3.235 1.00 0.00 H new ATOM 590 N ILE A 40 -5.776 10.201 5.297 1.00 0.00 N ATOM 591 CA ILE A 40 -7.018 11.025 5.427 1.00 0.00 C ATOM 592 C ILE A 40 -7.302 11.772 4.115 1.00 0.00 C ATOM 593 O ILE A 40 -7.219 12.984 4.052 1.00 0.00 O ATOM 594 CB ILE A 40 -6.728 12.009 6.570 1.00 0.00 C ATOM 595 CG1 ILE A 40 -7.942 12.918 6.785 1.00 0.00 C ATOM 596 CG2 ILE A 40 -5.497 12.863 6.232 1.00 0.00 C ATOM 597 CD1 ILE A 40 -8.079 13.246 8.274 1.00 0.00 C ATOM 0 H ILE A 40 -4.915 10.734 5.176 1.00 0.00 H new ATOM 0 HA ILE A 40 -7.898 10.417 5.635 1.00 0.00 H new ATOM 0 HB ILE A 40 -6.529 11.446 7.482 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -7.828 13.836 6.209 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -8.846 12.426 6.426 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -5.300 13.557 7.049 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.632 12.215 6.090 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -5.684 13.424 5.316 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -8.943 13.893 8.426 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -8.212 12.323 8.839 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -7.179 13.756 8.619 1.00 0.00 H new ATOM 609 N THR A 41 -7.639 11.056 3.070 1.00 0.00 N ATOM 610 CA THR A 41 -7.930 11.723 1.763 1.00 0.00 C ATOM 611 C THR A 41 -8.730 10.789 0.847 1.00 0.00 C ATOM 612 O THR A 41 -8.307 10.466 -0.248 1.00 0.00 O ATOM 613 CB THR A 41 -6.554 12.034 1.158 1.00 0.00 C ATOM 614 OG1 THR A 41 -6.726 12.655 -0.107 1.00 0.00 O ATOM 615 CG2 THR A 41 -5.746 10.742 0.987 1.00 0.00 C ATOM 0 H THR A 41 -7.725 10.040 3.066 1.00 0.00 H new ATOM 0 HA THR A 41 -8.531 12.624 1.887 1.00 0.00 H new ATOM 0 HB THR A 41 -6.014 12.703 1.828 1.00 0.00 H new ATOM 0 HG1 THR A 41 -7.257 12.072 -0.688 1.00 0.00 H new ATOM 0 HG21 THR A 41 -4.772 10.976 0.557 1.00 0.00 H new ATOM 0 HG22 THR A 41 -5.609 10.267 1.959 1.00 0.00 H new ATOM 0 HG23 THR A 41 -6.282 10.063 0.324 1.00 0.00 H new ATOM 623 N GLY A 42 -9.886 10.359 1.287 1.00 0.00 N ATOM 624 CA GLY A 42 -10.726 9.450 0.450 1.00 0.00 C ATOM 625 C GLY A 42 -9.970 8.148 0.183 1.00 0.00 C ATOM 626 O GLY A 42 -9.089 7.769 0.930 1.00 0.00 O ATOM 0 H GLY A 42 -10.285 10.600 2.194 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.666 9.238 0.959 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -10.976 9.936 -0.493 1.00 0.00 H new ATOM 630 N ALA A 43 -10.305 7.463 -0.881 1.00 0.00 N ATOM 631 CA ALA A 43 -9.606 6.181 -1.207 1.00 0.00 C ATOM 632 C ALA A 43 -9.148 6.183 -2.677 1.00 0.00 C ATOM 633 O ALA A 43 -9.705 5.477 -3.494 1.00 0.00 O ATOM 634 CB ALA A 43 -10.656 5.092 -0.974 1.00 0.00 C ATOM 0 H ALA A 43 -11.034 7.736 -1.540 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.715 6.028 -0.598 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.222 4.116 -1.192 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.984 5.120 0.065 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.510 5.264 -1.629 1.00 0.00 H new ATOM 640 N PRO A 44 -8.146 6.980 -2.979 1.00 0.00 N ATOM 641 CA PRO A 44 -7.633 7.058 -4.356 1.00 0.00 C ATOM 642 C PRO A 44 -6.460 6.089 -4.540 1.00 0.00 C ATOM 643 O PRO A 44 -5.416 6.245 -3.936 1.00 0.00 O ATOM 644 CB PRO A 44 -7.177 8.513 -4.458 1.00 0.00 C ATOM 645 CG PRO A 44 -6.901 8.960 -3.045 1.00 0.00 C ATOM 646 CD PRO A 44 -7.391 7.881 -2.104 1.00 0.00 C ATOM 0 HA PRO A 44 -8.362 6.786 -5.119 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -6.284 8.600 -5.077 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -7.946 9.132 -4.920 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -5.834 9.133 -2.902 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.407 9.903 -2.839 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -6.562 7.367 -1.617 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -8.019 8.293 -1.314 1.00 0.00 H new ATOM 654 N LYS A 45 -6.630 5.089 -5.368 1.00 0.00 N ATOM 655 CA LYS A 45 -5.529 4.100 -5.597 1.00 0.00 C ATOM 656 C LYS A 45 -4.283 4.806 -6.137 1.00 0.00 C ATOM 657 O LYS A 45 -3.173 4.336 -5.973 1.00 0.00 O ATOM 658 CB LYS A 45 -6.074 3.100 -6.629 1.00 0.00 C ATOM 659 CG LYS A 45 -7.389 2.461 -6.139 1.00 0.00 C ATOM 660 CD LYS A 45 -7.229 1.937 -4.706 1.00 0.00 C ATOM 661 CE LYS A 45 -8.470 1.135 -4.310 1.00 0.00 C ATOM 662 NZ LYS A 45 -8.298 -0.189 -4.972 1.00 0.00 N ATOM 0 H LYS A 45 -7.484 4.913 -5.897 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.237 3.601 -4.673 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.244 3.608 -7.578 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.334 2.321 -6.812 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.193 3.196 -6.176 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.673 1.644 -6.802 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.340 1.310 -4.635 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.087 2.770 -4.017 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.543 1.029 -3.228 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.383 1.628 -4.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.204 -0.700 -4.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.987 -0.048 -5.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.584 -0.744 -4.459 1.00 0.00 H new ATOM 676 N SER A 46 -4.465 5.934 -6.770 1.00 0.00 N ATOM 677 CA SER A 46 -3.297 6.689 -7.318 1.00 0.00 C ATOM 678 C SER A 46 -2.469 7.313 -6.182 1.00 0.00 C ATOM 679 O SER A 46 -1.395 7.840 -6.411 1.00 0.00 O ATOM 680 CB SER A 46 -3.904 7.783 -8.197 1.00 0.00 C ATOM 681 OG SER A 46 -3.045 8.026 -9.303 1.00 0.00 O ATOM 0 H SER A 46 -5.374 6.367 -6.932 1.00 0.00 H new ATOM 0 HA SER A 46 -2.623 6.040 -7.877 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.890 7.479 -8.548 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.039 8.697 -7.619 1.00 0.00 H new ATOM 0 HG SER A 46 -3.432 8.726 -9.870 1.00 0.00 H new ATOM 687 N GLU A 47 -2.955 7.264 -4.962 1.00 0.00 N ATOM 688 CA GLU A 47 -2.194 7.858 -3.821 1.00 0.00 C ATOM 689 C GLU A 47 -1.083 6.907 -3.354 1.00 0.00 C ATOM 690 O GLU A 47 -0.139 7.321 -2.709 1.00 0.00 O ATOM 691 CB GLU A 47 -3.228 8.046 -2.711 1.00 0.00 C ATOM 692 CG GLU A 47 -2.977 9.372 -1.989 1.00 0.00 C ATOM 693 CD GLU A 47 -3.234 10.533 -2.951 1.00 0.00 C ATOM 694 OE1 GLU A 47 -4.212 10.470 -3.677 1.00 0.00 O ATOM 695 OE2 GLU A 47 -2.449 11.468 -2.944 1.00 0.00 O ATOM 0 H GLU A 47 -3.847 6.837 -4.710 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.710 8.794 -4.101 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.233 8.035 -3.132 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.170 7.219 -2.003 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.630 9.454 -1.120 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.951 9.410 -1.622 1.00 0.00 H new ATOM 702 N PHE A 48 -1.197 5.639 -3.662 1.00 0.00 N ATOM 703 CA PHE A 48 -0.158 4.662 -3.224 1.00 0.00 C ATOM 704 C PHE A 48 0.880 4.443 -4.331 1.00 0.00 C ATOM 705 O PHE A 48 0.915 5.157 -5.314 1.00 0.00 O ATOM 706 CB PHE A 48 -0.919 3.360 -2.964 1.00 0.00 C ATOM 707 CG PHE A 48 -1.621 3.408 -1.632 1.00 0.00 C ATOM 708 CD1 PHE A 48 -2.566 4.403 -1.351 1.00 0.00 C ATOM 709 CD2 PHE A 48 -1.332 2.429 -0.682 1.00 0.00 C ATOM 710 CE1 PHE A 48 -3.223 4.412 -0.115 1.00 0.00 C ATOM 711 CE2 PHE A 48 -1.984 2.439 0.551 1.00 0.00 C ATOM 712 CZ PHE A 48 -2.932 3.429 0.837 1.00 0.00 C ATOM 0 H PHE A 48 -1.967 5.239 -4.199 1.00 0.00 H new ATOM 0 HA PHE A 48 0.380 5.015 -2.344 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.647 3.194 -3.758 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.227 2.518 -2.985 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -2.787 5.162 -2.087 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -0.603 1.663 -0.901 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.954 5.177 0.103 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.757 1.682 1.287 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.438 3.434 1.791 1.00 0.00 H new ATOM 722 N GLU A 49 1.714 3.446 -4.174 1.00 0.00 N ATOM 723 CA GLU A 49 2.744 3.142 -5.198 1.00 0.00 C ATOM 724 C GLU A 49 3.201 1.688 -5.043 1.00 0.00 C ATOM 725 O GLU A 49 3.641 1.280 -3.985 1.00 0.00 O ATOM 726 CB GLU A 49 3.894 4.111 -4.918 1.00 0.00 C ATOM 727 CG GLU A 49 4.481 4.603 -6.243 1.00 0.00 C ATOM 728 CD GLU A 49 5.438 5.766 -5.977 1.00 0.00 C ATOM 729 OE1 GLU A 49 6.587 5.503 -5.662 1.00 0.00 O ATOM 730 OE2 GLU A 49 5.006 6.901 -6.094 1.00 0.00 O ATOM 0 H GLU A 49 1.720 2.824 -3.366 1.00 0.00 H new ATOM 0 HA GLU A 49 2.372 3.258 -6.216 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.536 4.956 -4.330 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.665 3.616 -4.328 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.009 3.791 -6.743 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.681 4.922 -6.911 1.00 0.00 H new ATOM 737 N LYS A 50 3.088 0.901 -6.085 1.00 0.00 N ATOM 738 CA LYS A 50 3.502 -0.539 -5.997 1.00 0.00 C ATOM 739 C LYS A 50 4.963 -0.653 -5.548 1.00 0.00 C ATOM 740 O LYS A 50 5.705 0.312 -5.566 1.00 0.00 O ATOM 741 CB LYS A 50 3.341 -1.106 -7.413 1.00 0.00 C ATOM 742 CG LYS A 50 1.901 -0.896 -7.915 1.00 0.00 C ATOM 743 CD LYS A 50 1.314 -2.227 -8.405 1.00 0.00 C ATOM 744 CE LYS A 50 2.148 -2.769 -9.572 1.00 0.00 C ATOM 745 NZ LYS A 50 1.347 -2.469 -10.791 1.00 0.00 N ATOM 0 H LYS A 50 2.727 1.191 -6.994 1.00 0.00 H new ATOM 0 HA LYS A 50 2.898 -1.083 -5.270 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.043 -0.618 -8.089 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.582 -2.169 -7.416 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.284 -0.490 -7.113 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.893 -0.166 -8.724 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.301 -2.950 -7.590 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.281 -2.084 -8.721 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.126 -2.289 -9.614 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.323 -3.840 -9.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.854 -2.811 -11.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.424 -2.944 -10.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 1.203 -1.442 -10.867 1.00 0.00 H new ATOM 759 N LEU A 51 5.378 -1.828 -5.149 1.00 0.00 N ATOM 760 CA LEU A 51 6.789 -2.019 -4.699 1.00 0.00 C ATOM 761 C LEU A 51 7.705 -2.232 -5.908 1.00 0.00 C ATOM 762 O LEU A 51 8.881 -1.923 -5.867 1.00 0.00 O ATOM 763 CB LEU A 51 6.761 -3.270 -3.820 1.00 0.00 C ATOM 764 CG LEU A 51 8.154 -3.518 -3.237 1.00 0.00 C ATOM 765 CD1 LEU A 51 8.022 -4.120 -1.837 1.00 0.00 C ATOM 766 CD2 LEU A 51 8.917 -4.490 -4.141 1.00 0.00 C ATOM 0 H LEU A 51 4.798 -2.666 -5.116 1.00 0.00 H new ATOM 0 HA LEU A 51 7.171 -1.152 -4.160 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.036 -3.146 -3.016 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.442 -4.132 -4.406 1.00 0.00 H new ATOM 0 HG LEU A 51 8.697 -2.575 -3.176 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.014 -4.297 -1.422 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.477 -3.429 -1.194 1.00 0.00 H new ATOM 0 HD13 LEU A 51 7.480 -5.064 -1.896 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.910 -4.668 -3.728 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.374 -5.433 -4.201 1.00 0.00 H new ATOM 0 HD23 LEU A 51 9.011 -4.061 -5.139 1.00 0.00 H new ATOM 778 N GLU A 52 7.173 -2.763 -6.982 1.00 0.00 N ATOM 779 CA GLU A 52 8.005 -3.006 -8.202 1.00 0.00 C ATOM 780 C GLU A 52 8.696 -1.715 -8.659 1.00 0.00 C ATOM 781 O GLU A 52 9.738 -1.749 -9.285 1.00 0.00 O ATOM 782 CB GLU A 52 7.025 -3.500 -9.274 1.00 0.00 C ATOM 783 CG GLU A 52 5.932 -2.449 -9.514 1.00 0.00 C ATOM 784 CD GLU A 52 6.222 -1.686 -10.811 1.00 0.00 C ATOM 785 OE1 GLU A 52 7.374 -1.357 -11.036 1.00 0.00 O ATOM 786 OE2 GLU A 52 5.286 -1.446 -11.555 1.00 0.00 O ATOM 0 H GLU A 52 6.195 -3.040 -7.066 1.00 0.00 H new ATOM 0 HA GLU A 52 8.796 -3.731 -8.009 1.00 0.00 H new ATOM 0 HB2 GLU A 52 7.560 -3.699 -10.203 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.573 -4.441 -8.959 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.957 -2.932 -9.576 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.891 -1.755 -8.674 1.00 0.00 H new ATOM 793 N ASP A 53 8.122 -0.577 -8.346 1.00 0.00 N ATOM 794 CA ASP A 53 8.732 0.732 -8.755 1.00 0.00 C ATOM 795 C ASP A 53 9.013 0.756 -10.263 1.00 0.00 C ATOM 796 O ASP A 53 10.075 0.301 -10.655 1.00 0.00 O ATOM 797 CB ASP A 53 10.039 0.837 -7.964 1.00 0.00 C ATOM 798 CG ASP A 53 10.458 2.305 -7.864 1.00 0.00 C ATOM 799 OD1 ASP A 53 9.696 3.082 -7.312 1.00 0.00 O ATOM 800 OD2 ASP A 53 11.533 2.628 -8.341 1.00 0.00 O ATOM 801 OXT ASP A 53 8.161 1.229 -10.996 1.00 0.00 O ATOM 0 H ASP A 53 7.251 -0.497 -7.821 1.00 0.00 H new ATOM 0 HA ASP A 53 8.063 1.568 -8.549 1.00 0.00 H new ATOM 0 HB2 ASP A 53 9.908 0.416 -6.967 1.00 0.00 H new ATOM 0 HB3 ASP A 53 10.821 0.257 -8.454 1.00 0.00 H new TER 806 ASP A 53