USER MOD reduce.3.24.130724 H: found=0, std=0, add=440, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 440 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 ILE N :NH3+ -159:sc= -0.46 (180deg=-1.37!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot -170:sc= 0 USER MOD Single : A 26 THR OG1 : rot -34:sc= -4.33! USER MOD Single : A 28 MET CE :methyl -147:sc= -4.75! (180deg=-6.08!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 CYS SG : rot 180:sc= -0.112 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= -2.55! USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.792 X(o=-0.79,f=-0.52) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 108:sc= 1.33 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 10.680 -1.933 9.058 1.00 0.00 N ATOM 2 CA ILE A 1 9.397 -1.426 9.609 1.00 0.00 C ATOM 3 C ILE A 1 8.268 -1.568 8.591 1.00 0.00 C ATOM 4 O ILE A 1 8.455 -1.290 7.407 1.00 0.00 O ATOM 5 CB ILE A 1 9.509 0.055 10.022 1.00 0.00 C ATOM 6 CG1 ILE A 1 10.808 0.299 10.792 1.00 0.00 C ATOM 7 CG2 ILE A 1 8.305 0.462 10.859 1.00 0.00 C ATOM 8 CD1 ILE A 1 11.122 1.766 10.995 1.00 0.00 C ATOM 0 H1 ILE A 1 11.328 -2.160 9.839 1.00 0.00 H new ATOM 0 H2 ILE A 1 10.502 -2.790 8.496 1.00 0.00 H new ATOM 0 H3 ILE A 1 11.110 -1.205 8.453 1.00 0.00 H new ATOM 0 HA ILE A 1 9.172 -2.028 10.489 1.00 0.00 H new ATOM 0 HB ILE A 1 9.526 0.668 9.121 1.00 0.00 H new ATOM 0 HG12 ILE A 1 10.742 -0.188 11.765 1.00 0.00 H new ATOM 0 HG13 ILE A 1 11.633 -0.170 10.256 1.00 0.00 H new ATOM 0 HG21 ILE A 1 8.397 1.510 11.144 1.00 0.00 H new ATOM 0 HG22 ILE A 1 7.394 0.323 10.277 1.00 0.00 H new ATOM 0 HG23 ILE A 1 8.260 -0.155 11.756 1.00 0.00 H new ATOM 0 HD11 ILE A 1 12.056 1.865 11.548 1.00 0.00 H new ATOM 0 HD12 ILE A 1 11.220 2.255 10.026 1.00 0.00 H new ATOM 0 HD13 ILE A 1 10.316 2.236 11.558 1.00 0.00 H new ATOM 22 N PRO A 2 7.075 -2.002 9.036 1.00 0.00 N ATOM 23 CA PRO A 2 5.922 -2.176 8.159 1.00 0.00 C ATOM 24 C PRO A 2 5.123 -0.887 7.991 1.00 0.00 C ATOM 25 O PRO A 2 5.582 0.192 8.365 1.00 0.00 O ATOM 26 CB PRO A 2 5.100 -3.226 8.898 1.00 0.00 C ATOM 27 CG PRO A 2 5.374 -2.972 10.344 1.00 0.00 C ATOM 28 CD PRO A 2 6.753 -2.359 10.431 1.00 0.00 C ATOM 0 HA PRO A 2 6.205 -2.462 7.146 1.00 0.00 H new ATOM 0 HB2 PRO A 2 4.038 -3.128 8.673 1.00 0.00 H new ATOM 0 HB3 PRO A 2 5.395 -4.235 8.610 1.00 0.00 H new ATOM 0 HG2 PRO A 2 4.626 -2.301 10.766 1.00 0.00 H new ATOM 0 HG3 PRO A 2 5.328 -3.900 10.914 1.00 0.00 H new ATOM 0 HD2 PRO A 2 6.760 -1.482 11.079 1.00 0.00 H new ATOM 0 HD3 PRO A 2 7.478 -3.063 10.840 1.00 0.00 H new ATOM 36 N ALA A 3 3.925 -1.005 7.428 1.00 0.00 N ATOM 37 CA ALA A 3 3.063 0.146 7.215 1.00 0.00 C ATOM 38 C ALA A 3 1.736 -0.022 7.948 1.00 0.00 C ATOM 39 O ALA A 3 1.332 -1.140 8.268 1.00 0.00 O ATOM 40 CB ALA A 3 2.828 0.372 5.728 1.00 0.00 C ATOM 0 H ALA A 3 3.530 -1.890 7.111 1.00 0.00 H new ATOM 0 HA ALA A 3 3.565 1.023 7.622 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.181 1.238 5.589 1.00 0.00 H new ATOM 0 HB2 ALA A 3 3.782 0.549 5.232 1.00 0.00 H new ATOM 0 HB3 ALA A 3 2.353 -0.509 5.297 1.00 0.00 H new ATOM 46 N PHE A 4 1.064 1.095 8.220 1.00 0.00 N ATOM 47 CA PHE A 4 -0.210 1.070 8.922 1.00 0.00 C ATOM 48 C PHE A 4 -1.367 1.438 7.999 1.00 0.00 C ATOM 49 O PHE A 4 -1.444 2.559 7.501 1.00 0.00 O ATOM 50 CB PHE A 4 -0.169 2.024 10.111 1.00 0.00 C ATOM 51 CG PHE A 4 0.548 1.471 11.308 1.00 0.00 C ATOM 52 CD1 PHE A 4 1.849 1.004 11.198 1.00 0.00 C ATOM 53 CD2 PHE A 4 -0.076 1.423 12.544 1.00 0.00 C ATOM 54 CE1 PHE A 4 2.513 0.500 12.299 1.00 0.00 C ATOM 55 CE2 PHE A 4 0.583 0.919 13.649 1.00 0.00 C ATOM 56 CZ PHE A 4 1.880 0.456 13.527 1.00 0.00 C ATOM 0 H PHE A 4 1.384 2.029 7.963 1.00 0.00 H new ATOM 0 HA PHE A 4 -0.376 0.053 9.276 1.00 0.00 H new ATOM 0 HB2 PHE A 4 0.316 2.951 9.805 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -1.190 2.278 10.396 1.00 0.00 H new ATOM 0 HD1 PHE A 4 2.348 1.035 10.241 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -1.089 1.784 12.645 1.00 0.00 H new ATOM 0 HE1 PHE A 4 3.527 0.140 12.201 1.00 0.00 H new ATOM 0 HE2 PHE A 4 0.085 0.887 14.607 1.00 0.00 H new ATOM 0 HZ PHE A 4 2.397 0.061 14.389 1.00 0.00 H new ATOM 66 N VAL A 5 -2.274 0.491 7.785 1.00 0.00 N ATOM 67 CA VAL A 5 -3.431 0.726 6.930 1.00 0.00 C ATOM 68 C VAL A 5 -4.554 1.395 7.715 1.00 0.00 C ATOM 69 O VAL A 5 -4.655 1.232 8.931 1.00 0.00 O ATOM 70 CB VAL A 5 -3.950 -0.585 6.313 1.00 0.00 C ATOM 71 CG1 VAL A 5 -5.071 -0.303 5.324 1.00 0.00 C ATOM 72 CG2 VAL A 5 -2.817 -1.346 5.641 1.00 0.00 C ATOM 0 H VAL A 5 -2.230 -0.444 8.191 1.00 0.00 H new ATOM 0 HA VAL A 5 -3.109 1.386 6.125 1.00 0.00 H new ATOM 0 HB VAL A 5 -4.350 -1.207 7.114 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.425 -1.242 4.898 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -5.893 0.195 5.838 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -4.699 0.340 4.526 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -3.204 -2.270 5.211 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.384 -0.732 4.852 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -2.050 -1.583 6.378 1.00 0.00 H new ATOM 82 N LYS A 6 -5.389 2.162 7.019 1.00 0.00 N ATOM 83 CA LYS A 6 -6.492 2.865 7.668 1.00 0.00 C ATOM 84 C LYS A 6 -7.850 2.303 7.261 1.00 0.00 C ATOM 85 O LYS A 6 -8.699 2.034 8.108 1.00 0.00 O ATOM 86 CB LYS A 6 -6.436 4.362 7.350 1.00 0.00 C ATOM 87 CG LYS A 6 -5.032 4.949 7.390 1.00 0.00 C ATOM 88 CD LYS A 6 -4.884 6.102 6.410 1.00 0.00 C ATOM 89 CE LYS A 6 -5.497 7.381 6.957 1.00 0.00 C ATOM 90 NZ LYS A 6 -4.929 8.593 6.304 1.00 0.00 N ATOM 0 H LYS A 6 -5.324 2.312 6.012 1.00 0.00 H new ATOM 0 HA LYS A 6 -6.377 2.716 8.742 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -6.861 4.529 6.360 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.064 4.898 8.061 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -4.810 5.296 8.399 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.305 4.173 7.153 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -3.828 6.266 6.197 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -5.363 5.842 5.466 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -6.576 7.360 6.806 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.326 7.434 8.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.373 9.444 6.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -3.903 8.628 6.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -5.114 8.555 5.281 1.00 0.00 H new ATOM 104 N PHE A 7 -8.051 2.139 5.962 1.00 0.00 N ATOM 105 CA PHE A 7 -9.311 1.625 5.442 1.00 0.00 C ATOM 106 C PHE A 7 -9.088 0.652 4.287 1.00 0.00 C ATOM 107 O PHE A 7 -8.053 0.684 3.623 1.00 0.00 O ATOM 108 CB PHE A 7 -10.208 2.778 4.990 1.00 0.00 C ATOM 109 CG PHE A 7 -11.565 2.774 5.636 1.00 0.00 C ATOM 110 CD1 PHE A 7 -11.694 2.624 7.008 1.00 0.00 C ATOM 111 CD2 PHE A 7 -12.711 2.918 4.871 1.00 0.00 C ATOM 112 CE1 PHE A 7 -12.942 2.621 7.604 1.00 0.00 C ATOM 113 CE2 PHE A 7 -13.961 2.915 5.462 1.00 0.00 C ATOM 114 CZ PHE A 7 -14.076 2.766 6.830 1.00 0.00 C ATOM 0 H PHE A 7 -7.357 2.355 5.247 1.00 0.00 H new ATOM 0 HA PHE A 7 -9.803 1.081 6.248 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -9.712 3.722 5.213 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -10.330 2.730 3.908 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -10.810 2.508 7.618 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -12.627 3.034 3.801 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -13.029 2.505 8.674 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -14.847 3.029 4.854 1.00 0.00 H new ATOM 0 HZ PHE A 7 -15.051 2.763 7.294 1.00 0.00 H new ATOM 124 N ALA A 8 -10.073 -0.214 4.056 1.00 0.00 N ATOM 125 CA ALA A 8 -9.998 -1.199 2.989 1.00 0.00 C ATOM 126 C ALA A 8 -10.790 -0.755 1.762 1.00 0.00 C ATOM 127 O ALA A 8 -11.852 -0.146 1.886 1.00 0.00 O ATOM 128 CB ALA A 8 -10.511 -2.546 3.477 1.00 0.00 C ATOM 0 H ALA A 8 -10.936 -0.250 4.599 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.951 -1.295 2.700 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.449 -3.274 2.668 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.904 -2.884 4.317 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -11.548 -2.446 3.797 1.00 0.00 H new ATOM 134 N TYR A 9 -10.275 -1.077 0.580 1.00 0.00 N ATOM 135 CA TYR A 9 -10.944 -0.724 -0.669 1.00 0.00 C ATOM 136 C TYR A 9 -10.930 -1.903 -1.636 1.00 0.00 C ATOM 137 O TYR A 9 -9.911 -2.574 -1.795 1.00 0.00 O ATOM 138 CB TYR A 9 -10.281 0.491 -1.317 1.00 0.00 C ATOM 139 CG TYR A 9 -11.174 1.211 -2.304 1.00 0.00 C ATOM 140 CD1 TYR A 9 -12.417 1.694 -1.920 1.00 0.00 C ATOM 141 CD2 TYR A 9 -10.772 1.404 -3.620 1.00 0.00 C ATOM 142 CE1 TYR A 9 -13.236 2.350 -2.818 1.00 0.00 C ATOM 143 CE2 TYR A 9 -11.586 2.058 -4.525 1.00 0.00 C ATOM 144 CZ TYR A 9 -12.816 2.529 -4.119 1.00 0.00 C ATOM 145 OH TYR A 9 -13.629 3.182 -5.018 1.00 0.00 O ATOM 0 H TYR A 9 -9.397 -1.582 0.460 1.00 0.00 H new ATOM 0 HA TYR A 9 -11.978 -0.472 -0.436 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -9.978 1.189 -0.537 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -9.373 0.170 -1.828 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -12.749 1.555 -0.902 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -9.808 1.037 -3.941 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -14.200 2.721 -2.503 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -11.260 2.199 -5.545 1.00 0.00 H new ATOM 0 HH TYR A 9 -13.184 3.225 -5.890 1.00 0.00 H new ATOM 155 N VAL A 10 -12.066 -2.154 -2.275 1.00 0.00 N ATOM 156 CA VAL A 10 -12.183 -3.254 -3.219 1.00 0.00 C ATOM 157 C VAL A 10 -11.793 -2.819 -4.628 1.00 0.00 C ATOM 158 O VAL A 10 -12.521 -2.069 -5.280 1.00 0.00 O ATOM 159 CB VAL A 10 -13.613 -3.824 -3.247 1.00 0.00 C ATOM 160 CG1 VAL A 10 -13.892 -4.629 -1.986 1.00 0.00 C ATOM 161 CG2 VAL A 10 -14.633 -2.705 -3.411 1.00 0.00 C ATOM 0 H VAL A 10 -12.920 -1.609 -2.155 1.00 0.00 H new ATOM 0 HA VAL A 10 -11.497 -4.031 -2.880 1.00 0.00 H new ATOM 0 HB VAL A 10 -13.701 -4.492 -4.104 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -14.907 -5.024 -2.024 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -13.184 -5.455 -1.917 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -13.785 -3.986 -1.113 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -15.637 -3.128 -3.429 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -14.547 -2.009 -2.577 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -14.446 -2.176 -4.345 1.00 0.00 H new ATOM 171 N ALA A 11 -10.642 -3.296 -5.092 1.00 0.00 N ATOM 172 CA ALA A 11 -10.156 -2.956 -6.425 1.00 0.00 C ATOM 173 C ALA A 11 -8.859 -3.690 -6.744 1.00 0.00 C ATOM 174 O ALA A 11 -7.802 -3.363 -6.203 1.00 0.00 O ATOM 175 CB ALA A 11 -9.954 -1.453 -6.548 1.00 0.00 C ATOM 0 H ALA A 11 -10.029 -3.918 -4.565 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.909 -3.272 -7.147 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -9.591 -1.215 -7.548 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -10.902 -0.943 -6.375 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.224 -1.122 -5.809 1.00 0.00 H new ATOM 181 N GLU A 12 -8.940 -4.680 -7.631 1.00 0.00 N ATOM 182 CA GLU A 12 -7.760 -5.444 -8.018 1.00 0.00 C ATOM 183 C GLU A 12 -7.598 -5.476 -9.534 1.00 0.00 C ATOM 184 O GLU A 12 -8.439 -6.011 -10.255 1.00 0.00 O ATOM 185 CB GLU A 12 -7.850 -6.871 -7.475 1.00 0.00 C ATOM 186 CG GLU A 12 -9.155 -7.573 -7.815 1.00 0.00 C ATOM 187 CD GLU A 12 -8.974 -8.680 -8.837 1.00 0.00 C ATOM 188 OE1 GLU A 12 -8.164 -9.596 -8.583 1.00 0.00 O ATOM 189 OE2 GLU A 12 -9.644 -8.631 -9.890 1.00 0.00 O ATOM 0 H GLU A 12 -9.803 -4.969 -8.091 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.887 -4.951 -7.590 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -7.020 -7.455 -7.872 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -7.733 -6.846 -6.392 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -9.586 -7.991 -6.905 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -9.867 -6.842 -8.199 1.00 0.00 H new ATOM 196 N ARG A 13 -6.496 -4.903 -10.000 1.00 0.00 N ATOM 197 CA ARG A 13 -6.176 -4.854 -11.418 1.00 0.00 C ATOM 198 C ARG A 13 -4.673 -4.692 -11.585 1.00 0.00 C ATOM 199 O ARG A 13 -3.997 -4.243 -10.665 1.00 0.00 O ATOM 200 CB ARG A 13 -6.948 -3.703 -12.087 1.00 0.00 C ATOM 201 CG ARG A 13 -6.273 -3.074 -13.306 1.00 0.00 C ATOM 202 CD ARG A 13 -5.744 -1.688 -12.990 1.00 0.00 C ATOM 203 NE ARG A 13 -6.499 -0.643 -13.675 1.00 0.00 N ATOM 204 CZ ARG A 13 -6.047 0.594 -13.867 1.00 0.00 C ATOM 205 NH1 ARG A 13 -4.847 0.946 -13.423 1.00 0.00 N ATOM 206 NH2 ARG A 13 -6.796 1.482 -14.506 1.00 0.00 N ATOM 0 H ARG A 13 -5.798 -4.459 -9.403 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.477 -5.782 -11.904 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.928 -4.074 -12.388 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.116 -2.923 -11.345 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -5.454 -3.711 -13.639 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.986 -3.015 -14.129 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -5.788 -1.520 -11.914 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.695 -1.626 -13.280 1.00 0.00 H new ATOM 0 HE ARG A 13 -7.428 -0.875 -14.027 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -4.266 0.267 -12.932 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -4.506 1.896 -13.573 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -7.719 1.217 -14.851 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -6.449 2.430 -14.653 1.00 0.00 H new ATOM 220 N GLU A 14 -4.143 -5.033 -12.754 1.00 0.00 N ATOM 221 CA GLU A 14 -2.716 -4.874 -12.986 1.00 0.00 C ATOM 222 C GLU A 14 -2.321 -3.433 -12.681 1.00 0.00 C ATOM 223 O GLU A 14 -2.663 -2.520 -13.431 1.00 0.00 O ATOM 224 CB GLU A 14 -2.363 -5.224 -14.433 1.00 0.00 C ATOM 225 CG GLU A 14 -3.050 -4.336 -15.457 1.00 0.00 C ATOM 226 CD GLU A 14 -3.084 -4.958 -16.840 1.00 0.00 C ATOM 227 OE1 GLU A 14 -2.001 -5.137 -17.437 1.00 0.00 O ATOM 228 OE2 GLU A 14 -4.192 -5.267 -17.324 1.00 0.00 O ATOM 0 H GLU A 14 -4.669 -5.414 -13.541 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.167 -5.551 -12.332 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -1.284 -5.148 -14.564 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.635 -6.262 -14.624 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.069 -4.132 -15.129 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.533 -3.378 -15.506 1.00 0.00 H new ATOM 235 N ASP A 15 -1.629 -3.243 -11.552 1.00 0.00 N ATOM 236 CA ASP A 15 -1.195 -1.915 -11.089 1.00 0.00 C ATOM 237 C ASP A 15 -2.169 -1.352 -10.047 1.00 0.00 C ATOM 238 O ASP A 15 -1.978 -0.246 -9.540 1.00 0.00 O ATOM 239 CB ASP A 15 -1.053 -0.927 -12.254 1.00 0.00 C ATOM 240 CG ASP A 15 0.111 0.025 -12.063 1.00 0.00 C ATOM 241 OD1 ASP A 15 1.053 -0.328 -11.322 1.00 0.00 O ATOM 242 OD2 ASP A 15 0.082 1.125 -12.654 1.00 0.00 O ATOM 0 H ASP A 15 -1.353 -4.004 -10.932 1.00 0.00 H new ATOM 0 HA ASP A 15 -0.216 -2.042 -10.628 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -0.917 -1.481 -13.183 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -1.975 -0.354 -12.356 1.00 0.00 H new ATOM 247 N GLU A 16 -3.206 -2.126 -9.730 1.00 0.00 N ATOM 248 CA GLU A 16 -4.206 -1.736 -8.756 1.00 0.00 C ATOM 249 C GLU A 16 -4.359 -2.840 -7.716 1.00 0.00 C ATOM 250 O GLU A 16 -4.531 -4.009 -8.061 1.00 0.00 O ATOM 251 CB GLU A 16 -5.542 -1.479 -9.458 1.00 0.00 C ATOM 252 CG GLU A 16 -6.748 -1.564 -8.544 1.00 0.00 C ATOM 253 CD GLU A 16 -7.666 -0.365 -8.671 1.00 0.00 C ATOM 254 OE1 GLU A 16 -8.436 -0.308 -9.652 1.00 0.00 O ATOM 255 OE2 GLU A 16 -7.615 0.517 -7.789 1.00 0.00 O ATOM 0 H GLU A 16 -3.370 -3.042 -10.147 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.891 -0.819 -8.258 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.515 -0.490 -9.916 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -5.660 -2.201 -10.266 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.308 -2.471 -8.772 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.410 -1.650 -7.511 1.00 0.00 H new ATOM 262 N LEU A 17 -4.292 -2.466 -6.451 1.00 0.00 N ATOM 263 CA LEU A 17 -4.418 -3.431 -5.368 1.00 0.00 C ATOM 264 C LEU A 17 -5.485 -2.998 -4.370 1.00 0.00 C ATOM 265 O LEU A 17 -5.622 -1.812 -4.068 1.00 0.00 O ATOM 266 CB LEU A 17 -3.081 -3.574 -4.650 1.00 0.00 C ATOM 267 CG LEU A 17 -2.594 -2.293 -3.979 1.00 0.00 C ATOM 268 CD1 LEU A 17 -1.618 -2.611 -2.858 1.00 0.00 C ATOM 269 CD2 LEU A 17 -1.959 -1.368 -5.003 1.00 0.00 C ATOM 0 H LEU A 17 -4.151 -1.503 -6.146 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.714 -4.388 -5.797 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.168 -4.356 -3.896 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.329 -3.904 -5.367 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.453 -1.783 -3.543 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.283 -1.684 -2.393 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.111 -3.234 -2.112 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.758 -3.144 -3.264 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.617 -0.459 -4.509 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.111 -1.869 -5.469 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.693 -1.112 -5.767 1.00 0.00 H new ATOM 281 N SER A 18 -6.229 -3.966 -3.846 1.00 0.00 N ATOM 282 CA SER A 18 -7.267 -3.680 -2.867 1.00 0.00 C ATOM 283 C SER A 18 -6.632 -3.303 -1.529 1.00 0.00 C ATOM 284 O SER A 18 -5.558 -3.795 -1.186 1.00 0.00 O ATOM 285 CB SER A 18 -8.200 -4.885 -2.710 1.00 0.00 C ATOM 286 OG SER A 18 -7.842 -5.676 -1.587 1.00 0.00 O ATOM 0 H SER A 18 -6.132 -4.953 -4.083 1.00 0.00 H new ATOM 0 HA SER A 18 -7.862 -2.837 -3.217 1.00 0.00 H new ATOM 0 HB2 SER A 18 -9.228 -4.539 -2.600 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.164 -5.495 -3.613 1.00 0.00 H new ATOM 0 HG SER A 18 -8.456 -6.436 -1.513 1.00 0.00 H new ATOM 292 N LEU A 19 -7.287 -2.418 -0.787 1.00 0.00 N ATOM 293 CA LEU A 19 -6.760 -1.971 0.500 1.00 0.00 C ATOM 294 C LEU A 19 -7.347 -2.770 1.657 1.00 0.00 C ATOM 295 O LEU A 19 -8.472 -3.265 1.585 1.00 0.00 O ATOM 296 CB LEU A 19 -7.035 -0.479 0.702 1.00 0.00 C ATOM 297 CG LEU A 19 -6.991 0.361 -0.573 1.00 0.00 C ATOM 298 CD1 LEU A 19 -7.483 1.774 -0.302 1.00 0.00 C ATOM 299 CD2 LEU A 19 -5.582 0.386 -1.146 1.00 0.00 C ATOM 0 H LEU A 19 -8.178 -1.997 -1.050 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.683 -2.139 0.488 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.017 -0.364 1.162 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.305 -0.082 1.407 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.654 -0.096 -1.308 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.444 2.356 -1.223 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.510 1.738 0.061 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.848 2.242 0.450 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.569 0.989 -2.054 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.899 0.818 -0.414 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.267 -0.631 -1.381 1.00 0.00 H new ATOM 311 N VAL A 20 -6.564 -2.888 2.723 1.00 0.00 N ATOM 312 CA VAL A 20 -6.977 -3.624 3.916 1.00 0.00 C ATOM 313 C VAL A 20 -7.607 -2.696 4.944 1.00 0.00 C ATOM 314 O VAL A 20 -7.470 -1.477 4.861 1.00 0.00 O ATOM 315 CB VAL A 20 -5.797 -4.348 4.598 1.00 0.00 C ATOM 316 CG1 VAL A 20 -6.220 -5.734 5.058 1.00 0.00 C ATOM 317 CG2 VAL A 20 -4.589 -4.435 3.674 1.00 0.00 C ATOM 0 H VAL A 20 -5.631 -2.480 2.787 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.702 -4.362 3.571 1.00 0.00 H new ATOM 0 HB VAL A 20 -5.505 -3.764 5.470 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.377 -6.232 5.537 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.041 -5.646 5.769 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -6.546 -6.319 4.198 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.776 -4.951 4.185 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.859 -4.987 2.773 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.267 -3.430 3.401 1.00 0.00 H new ATOM 327 N LYS A 21 -8.288 -3.283 5.923 1.00 0.00 N ATOM 328 CA LYS A 21 -8.920 -2.496 6.972 1.00 0.00 C ATOM 329 C LYS A 21 -8.203 -2.676 8.309 1.00 0.00 C ATOM 330 O LYS A 21 -8.328 -3.700 8.978 1.00 0.00 O ATOM 331 CB LYS A 21 -10.412 -2.830 7.099 1.00 0.00 C ATOM 332 CG LYS A 21 -10.737 -4.050 7.955 1.00 0.00 C ATOM 333 CD LYS A 21 -10.038 -5.304 7.448 1.00 0.00 C ATOM 334 CE LYS A 21 -10.481 -5.661 6.037 1.00 0.00 C ATOM 335 NZ LYS A 21 -11.133 -6.999 5.980 1.00 0.00 N ATOM 0 H LYS A 21 -8.415 -4.291 6.011 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.837 -1.447 6.688 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.926 -1.965 7.518 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.818 -2.989 6.100 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -10.438 -3.860 8.986 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.815 -4.213 7.960 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.959 -5.151 7.463 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -10.251 -6.136 8.118 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -11.175 -4.904 5.672 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.618 -5.650 5.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.420 -7.204 5.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.463 -7.726 6.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -11.972 -7.003 6.595 1.00 0.00 H new ATOM 349 N GLY A 22 -7.451 -1.655 8.683 1.00 0.00 N ATOM 350 CA GLY A 22 -6.718 -1.680 9.936 1.00 0.00 C ATOM 351 C GLY A 22 -5.565 -2.665 9.939 1.00 0.00 C ATOM 352 O GLY A 22 -5.073 -3.048 10.999 1.00 0.00 O ATOM 0 H GLY A 22 -7.332 -0.801 8.138 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.334 -0.681 10.144 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.404 -1.932 10.745 1.00 0.00 H new ATOM 356 N SER A 23 -5.131 -3.076 8.754 1.00 0.00 N ATOM 357 CA SER A 23 -4.029 -4.016 8.634 1.00 0.00 C ATOM 358 C SER A 23 -2.718 -3.287 8.355 1.00 0.00 C ATOM 359 O SER A 23 -2.683 -2.058 8.290 1.00 0.00 O ATOM 360 CB SER A 23 -4.315 -5.030 7.529 1.00 0.00 C ATOM 361 OG SER A 23 -4.299 -6.353 8.034 1.00 0.00 O ATOM 0 H SER A 23 -5.526 -2.772 7.864 1.00 0.00 H new ATOM 0 HA SER A 23 -3.930 -4.545 9.582 1.00 0.00 H new ATOM 0 HB2 SER A 23 -5.286 -4.820 7.081 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.571 -4.930 6.738 1.00 0.00 H new ATOM 0 HG SER A 23 -4.327 -6.988 7.288 1.00 0.00 H new ATOM 367 N ARG A 24 -1.644 -4.051 8.194 1.00 0.00 N ATOM 368 CA ARG A 24 -0.333 -3.471 7.923 1.00 0.00 C ATOM 369 C ARG A 24 0.228 -3.969 6.595 1.00 0.00 C ATOM 370 O ARG A 24 -0.039 -5.093 6.173 1.00 0.00 O ATOM 371 CB ARG A 24 0.631 -3.785 9.058 1.00 0.00 C ATOM 372 CG ARG A 24 0.150 -3.299 10.416 1.00 0.00 C ATOM 373 CD ARG A 24 0.911 -2.062 10.867 1.00 0.00 C ATOM 374 NE ARG A 24 1.191 -2.085 12.301 1.00 0.00 N ATOM 375 CZ ARG A 24 0.249 -2.034 13.241 1.00 0.00 C ATOM 376 NH1 ARG A 24 -1.032 -1.948 12.902 1.00 0.00 N ATOM 377 NH2 ARG A 24 0.588 -2.064 14.521 1.00 0.00 N ATOM 0 H ARG A 24 -1.654 -5.070 8.246 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.452 -2.390 7.852 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.789 -4.863 9.102 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.597 -3.330 8.840 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.915 -3.074 10.367 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.274 -4.093 11.153 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.849 -1.992 10.315 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.331 -1.171 10.625 1.00 0.00 H new ATOM 0 HE ARG A 24 2.165 -2.144 12.599 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.298 -1.921 11.918 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -1.750 -1.909 13.626 1.00 0.00 H new ATOM 0 HH21 ARG A 24 1.571 -2.126 14.787 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -0.134 -2.025 15.241 1.00 0.00 H new ATOM 391 N VAL A 25 1.002 -3.113 5.941 1.00 0.00 N ATOM 392 CA VAL A 25 1.608 -3.432 4.652 1.00 0.00 C ATOM 393 C VAL A 25 3.127 -3.341 4.730 1.00 0.00 C ATOM 394 O VAL A 25 3.672 -2.804 5.691 1.00 0.00 O ATOM 395 CB VAL A 25 1.100 -2.490 3.544 1.00 0.00 C ATOM 396 CG1 VAL A 25 1.421 -3.057 2.169 1.00 0.00 C ATOM 397 CG2 VAL A 25 -0.393 -2.245 3.689 1.00 0.00 C ATOM 0 H VAL A 25 1.228 -2.180 6.287 1.00 0.00 H new ATOM 0 HA VAL A 25 1.319 -4.454 4.405 1.00 0.00 H new ATOM 0 HB VAL A 25 1.613 -1.534 3.647 1.00 0.00 H new ATOM 0 HG11 VAL A 25 1.054 -2.377 1.400 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.500 -3.173 2.066 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.939 -4.028 2.054 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.731 -1.577 2.896 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.926 -3.193 3.616 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.594 -1.789 4.658 1.00 0.00 H new ATOM 407 N THR A 26 3.814 -3.868 3.721 1.00 0.00 N ATOM 408 CA THR A 26 5.270 -3.836 3.699 1.00 0.00 C ATOM 409 C THR A 26 5.755 -2.467 3.230 1.00 0.00 C ATOM 410 O THR A 26 5.162 -1.863 2.336 1.00 0.00 O ATOM 411 CB THR A 26 5.828 -4.927 2.794 1.00 0.00 C ATOM 412 OG1 THR A 26 5.763 -4.518 1.451 1.00 0.00 O ATOM 413 CG2 THR A 26 5.098 -6.251 2.914 1.00 0.00 C ATOM 0 H THR A 26 3.387 -4.320 2.912 1.00 0.00 H new ATOM 0 HA THR A 26 5.631 -4.017 4.712 1.00 0.00 H new ATOM 0 HB THR A 26 6.857 -5.081 3.119 1.00 0.00 H new ATOM 0 HG1 THR A 26 4.967 -3.962 1.317 1.00 0.00 H new ATOM 0 HG21 THR A 26 5.551 -6.979 2.240 1.00 0.00 H new ATOM 0 HG22 THR A 26 5.168 -6.613 3.940 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.050 -6.114 2.648 1.00 0.00 H new ATOM 421 N VAL A 27 6.807 -1.963 3.868 1.00 0.00 N ATOM 422 CA VAL A 27 7.335 -0.641 3.543 1.00 0.00 C ATOM 423 C VAL A 27 7.651 -0.511 2.056 1.00 0.00 C ATOM 424 O VAL A 27 8.715 -0.908 1.582 1.00 0.00 O ATOM 425 CB VAL A 27 8.606 -0.335 4.360 1.00 0.00 C ATOM 426 CG1 VAL A 27 9.691 -1.359 4.063 1.00 0.00 C ATOM 427 CG2 VAL A 27 9.104 1.076 4.079 1.00 0.00 C ATOM 0 H VAL A 27 7.310 -2.448 4.611 1.00 0.00 H new ATOM 0 HA VAL A 27 6.559 0.079 3.800 1.00 0.00 H new ATOM 0 HB VAL A 27 8.355 -0.399 5.419 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.581 -1.127 4.649 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.333 -2.355 4.325 1.00 0.00 H new ATOM 0 HG13 VAL A 27 9.938 -1.330 3.002 1.00 0.00 H new ATOM 0 HG21 VAL A 27 10.001 1.269 4.667 1.00 0.00 H new ATOM 0 HG22 VAL A 27 9.336 1.175 3.019 1.00 0.00 H new ATOM 0 HG23 VAL A 27 8.331 1.795 4.350 1.00 0.00 H new ATOM 437 N MET A 28 6.690 0.061 1.339 1.00 0.00 N ATOM 438 CA MET A 28 6.793 0.282 -0.103 1.00 0.00 C ATOM 439 C MET A 28 8.084 1.005 -0.476 1.00 0.00 C ATOM 440 O MET A 28 8.940 1.254 0.371 1.00 0.00 O ATOM 441 CB MET A 28 5.587 1.086 -0.607 1.00 0.00 C ATOM 442 CG MET A 28 5.096 2.129 0.380 1.00 0.00 C ATOM 443 SD MET A 28 3.407 1.833 0.952 1.00 0.00 S ATOM 444 CE MET A 28 3.436 0.071 1.282 1.00 0.00 C ATOM 0 H MET A 28 5.812 0.387 1.742 1.00 0.00 H new ATOM 0 HA MET A 28 6.805 -0.698 -0.581 1.00 0.00 H new ATOM 0 HB2 MET A 28 5.855 1.580 -1.541 1.00 0.00 H new ATOM 0 HB3 MET A 28 4.771 0.399 -0.832 1.00 0.00 H new ATOM 0 HG2 MET A 28 5.765 2.149 1.240 1.00 0.00 H new ATOM 0 HG3 MET A 28 5.147 3.113 -0.086 1.00 0.00 H new ATOM 0 HE1 MET A 28 2.456 -0.355 1.068 1.00 0.00 H new ATOM 0 HE2 MET A 28 4.185 -0.405 0.649 1.00 0.00 H new ATOM 0 HE3 MET A 28 3.685 -0.099 2.330 1.00 0.00 H new ATOM 454 N GLU A 29 8.209 1.336 -1.758 1.00 0.00 N ATOM 455 CA GLU A 29 9.385 2.027 -2.268 1.00 0.00 C ATOM 456 C GLU A 29 9.140 3.531 -2.303 1.00 0.00 C ATOM 457 O GLU A 29 8.002 3.980 -2.434 1.00 0.00 O ATOM 458 CB GLU A 29 9.722 1.516 -3.679 1.00 0.00 C ATOM 459 CG GLU A 29 9.300 2.449 -4.809 1.00 0.00 C ATOM 460 CD GLU A 29 9.627 1.891 -6.180 1.00 0.00 C ATOM 461 OE1 GLU A 29 9.895 0.675 -6.279 1.00 0.00 O ATOM 462 OE2 GLU A 29 9.612 2.669 -7.157 1.00 0.00 O ATOM 0 H GLU A 29 7.503 1.134 -2.466 1.00 0.00 H new ATOM 0 HA GLU A 29 10.226 1.825 -1.605 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.797 1.351 -3.744 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.241 0.549 -3.825 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.228 2.633 -4.742 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.796 3.411 -4.685 1.00 0.00 H new ATOM 469 N LYS A 30 10.212 4.303 -2.188 1.00 0.00 N ATOM 470 CA LYS A 30 10.101 5.748 -2.213 1.00 0.00 C ATOM 471 C LYS A 30 10.289 6.278 -3.629 1.00 0.00 C ATOM 472 O LYS A 30 11.415 6.479 -4.085 1.00 0.00 O ATOM 473 CB LYS A 30 11.130 6.382 -1.273 1.00 0.00 C ATOM 474 CG LYS A 30 10.563 7.511 -0.429 1.00 0.00 C ATOM 475 CD LYS A 30 11.644 8.506 -0.027 1.00 0.00 C ATOM 476 CE LYS A 30 11.984 8.400 1.452 1.00 0.00 C ATOM 477 NZ LYS A 30 11.963 9.729 2.123 1.00 0.00 N ATOM 0 H LYS A 30 11.163 3.951 -2.077 1.00 0.00 H new ATOM 0 HA LYS A 30 9.102 6.017 -1.871 1.00 0.00 H new ATOM 0 HB2 LYS A 30 11.531 5.612 -0.614 1.00 0.00 H new ATOM 0 HB3 LYS A 30 11.964 6.763 -1.863 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.782 8.027 -0.987 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.096 7.099 0.465 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.541 8.328 -0.620 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.309 9.518 -0.252 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.272 7.735 1.941 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.971 7.951 1.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.200 9.614 3.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.660 10.356 1.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.015 10.147 2.036 1.00 0.00 H new ATOM 491 N CYS A 31 9.177 6.514 -4.315 1.00 0.00 N ATOM 492 CA CYS A 31 9.216 7.033 -5.675 1.00 0.00 C ATOM 493 C CYS A 31 8.965 8.538 -5.662 1.00 0.00 C ATOM 494 O CYS A 31 8.168 9.032 -4.864 1.00 0.00 O ATOM 495 CB CYS A 31 8.175 6.333 -6.556 1.00 0.00 C ATOM 496 SG CYS A 31 7.922 7.102 -8.175 1.00 0.00 S ATOM 0 H CYS A 31 8.238 6.354 -3.951 1.00 0.00 H new ATOM 0 HA CYS A 31 10.204 6.836 -6.092 1.00 0.00 H new ATOM 0 HB2 CYS A 31 8.480 5.297 -6.704 1.00 0.00 H new ATOM 0 HB3 CYS A 31 7.223 6.312 -6.025 1.00 0.00 H new ATOM 0 HG CYS A 31 7.026 6.433 -8.838 1.00 0.00 H new ATOM 502 N SER A 32 9.648 9.264 -6.537 1.00 0.00 N ATOM 503 CA SER A 32 9.488 10.711 -6.600 1.00 0.00 C ATOM 504 C SER A 32 8.438 11.114 -7.632 1.00 0.00 C ATOM 505 O SER A 32 7.594 11.968 -7.366 1.00 0.00 O ATOM 506 CB SER A 32 10.827 11.377 -6.930 1.00 0.00 C ATOM 507 OG SER A 32 11.232 12.251 -5.890 1.00 0.00 O ATOM 0 H SER A 32 10.313 8.879 -7.208 1.00 0.00 H new ATOM 0 HA SER A 32 9.146 11.050 -5.622 1.00 0.00 H new ATOM 0 HB2 SER A 32 11.589 10.613 -7.084 1.00 0.00 H new ATOM 0 HB3 SER A 32 10.740 11.933 -7.863 1.00 0.00 H new ATOM 0 HG SER A 32 12.090 12.662 -6.124 1.00 0.00 H new ATOM 513 N ASP A 33 8.494 10.498 -8.809 1.00 0.00 N ATOM 514 CA ASP A 33 7.542 10.810 -9.870 1.00 0.00 C ATOM 515 C ASP A 33 7.219 9.583 -10.716 1.00 0.00 C ATOM 516 O ASP A 33 8.039 9.148 -11.527 1.00 0.00 O ATOM 517 CB ASP A 33 8.086 11.930 -10.760 1.00 0.00 C ATOM 518 CG ASP A 33 7.402 13.257 -10.498 1.00 0.00 C ATOM 519 OD1 ASP A 33 6.218 13.246 -10.102 1.00 0.00 O ATOM 520 OD2 ASP A 33 8.050 14.308 -10.691 1.00 0.00 O ATOM 0 H ASP A 33 9.183 9.786 -9.051 1.00 0.00 H new ATOM 0 HA ASP A 33 6.619 11.142 -9.395 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.158 12.037 -10.592 1.00 0.00 H new ATOM 0 HB3 ASP A 33 7.954 11.656 -11.807 1.00 0.00 H new ATOM 525 N GLY A 34 6.026 9.029 -10.534 1.00 0.00 N ATOM 526 CA GLY A 34 5.628 7.873 -11.293 1.00 0.00 C ATOM 527 C GLY A 34 4.724 6.966 -10.500 1.00 0.00 C ATOM 528 O GLY A 34 3.790 7.426 -9.842 1.00 0.00 O ATOM 0 H GLY A 34 5.329 9.366 -9.870 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.116 8.193 -12.201 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.514 7.320 -11.605 1.00 0.00 H new ATOM 532 N TRP A 35 5.004 5.678 -10.557 1.00 0.00 N ATOM 533 CA TRP A 35 4.214 4.697 -9.834 1.00 0.00 C ATOM 534 C TRP A 35 4.965 4.206 -8.602 1.00 0.00 C ATOM 535 O TRP A 35 6.155 3.902 -8.669 1.00 0.00 O ATOM 536 CB TRP A 35 3.847 3.522 -10.737 1.00 0.00 C ATOM 537 CG TRP A 35 3.753 3.880 -12.191 1.00 0.00 C ATOM 538 CD1 TRP A 35 3.280 5.046 -12.719 1.00 0.00 C ATOM 539 CD2 TRP A 35 4.139 3.064 -13.304 1.00 0.00 C ATOM 540 NE1 TRP A 35 3.348 5.006 -14.091 1.00 0.00 N ATOM 541 CE2 TRP A 35 3.872 3.800 -14.474 1.00 0.00 C ATOM 542 CE3 TRP A 35 4.685 1.783 -13.424 1.00 0.00 C ATOM 543 CZ2 TRP A 35 4.133 3.297 -15.746 1.00 0.00 C ATOM 544 CZ3 TRP A 35 4.944 1.285 -14.686 1.00 0.00 C ATOM 545 CH2 TRP A 35 4.668 2.041 -15.833 1.00 0.00 C ATOM 0 H TRP A 35 5.774 5.285 -11.098 1.00 0.00 H new ATOM 0 HA TRP A 35 3.292 5.179 -9.509 1.00 0.00 H new ATOM 0 HB2 TRP A 35 4.591 2.735 -10.614 1.00 0.00 H new ATOM 0 HB3 TRP A 35 2.892 3.111 -10.411 1.00 0.00 H new ATOM 0 HD1 TRP A 35 2.906 5.879 -12.142 1.00 0.00 H new ATOM 0 HE1 TRP A 35 3.056 5.753 -14.721 1.00 0.00 H new ATOM 0 HE3 TRP A 35 4.901 1.193 -12.545 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 3.921 3.877 -16.632 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 5.366 0.296 -14.790 1.00 0.00 H new ATOM 0 HH2 TRP A 35 4.882 1.624 -16.806 1.00 0.00 H new ATOM 556 N TRP A 36 4.266 4.149 -7.476 1.00 0.00 N ATOM 557 CA TRP A 36 4.868 3.716 -6.228 1.00 0.00 C ATOM 558 C TRP A 36 4.766 2.204 -6.062 1.00 0.00 C ATOM 559 O TRP A 36 3.679 1.628 -6.116 1.00 0.00 O ATOM 560 CB TRP A 36 4.161 4.401 -5.061 1.00 0.00 C ATOM 561 CG TRP A 36 4.766 5.710 -4.671 1.00 0.00 C ATOM 562 CD1 TRP A 36 5.935 5.898 -4.005 1.00 0.00 C ATOM 563 CD2 TRP A 36 4.224 7.011 -4.914 1.00 0.00 C ATOM 564 NE1 TRP A 36 6.162 7.242 -3.819 1.00 0.00 N ATOM 565 CE2 TRP A 36 5.124 7.946 -4.369 1.00 0.00 C ATOM 566 CE3 TRP A 36 3.067 7.476 -5.541 1.00 0.00 C ATOM 567 CZ2 TRP A 36 4.901 9.318 -4.431 1.00 0.00 C ATOM 568 CZ3 TRP A 36 2.845 8.839 -5.603 1.00 0.00 C ATOM 569 CH2 TRP A 36 3.759 9.746 -5.052 1.00 0.00 C ATOM 0 H TRP A 36 3.280 4.398 -7.404 1.00 0.00 H new ATOM 0 HA TRP A 36 5.923 3.989 -6.243 1.00 0.00 H new ATOM 0 HB2 TRP A 36 3.115 4.559 -5.325 1.00 0.00 H new ATOM 0 HB3 TRP A 36 4.175 3.734 -4.199 1.00 0.00 H new ATOM 0 HD1 TRP A 36 6.591 5.108 -3.670 1.00 0.00 H new ATOM 0 HE1 TRP A 36 6.971 7.648 -3.348 1.00 0.00 H new ATOM 0 HE3 TRP A 36 2.358 6.783 -5.970 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 5.603 10.019 -4.005 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 1.952 9.211 -6.084 1.00 0.00 H new ATOM 0 HH2 TRP A 36 3.558 10.805 -5.119 1.00 0.00 H new ATOM 580 N ARG A 37 5.911 1.572 -5.844 1.00 0.00 N ATOM 581 CA ARG A 37 5.971 0.131 -5.656 1.00 0.00 C ATOM 582 C ARG A 37 5.914 -0.220 -4.181 1.00 0.00 C ATOM 583 O ARG A 37 6.348 0.550 -3.328 1.00 0.00 O ATOM 584 CB ARG A 37 7.234 -0.452 -6.274 1.00 0.00 C ATOM 585 CG ARG A 37 7.093 -1.915 -6.660 1.00 0.00 C ATOM 586 CD ARG A 37 6.891 -2.085 -8.158 1.00 0.00 C ATOM 587 NE ARG A 37 7.808 -3.073 -8.723 1.00 0.00 N ATOM 588 CZ ARG A 37 7.621 -3.671 -9.897 1.00 0.00 C ATOM 589 NH1 ARG A 37 6.555 -3.386 -10.635 1.00 0.00 N ATOM 590 NH2 ARG A 37 8.505 -4.558 -10.335 1.00 0.00 N ATOM 0 H ARG A 37 6.816 2.039 -5.793 1.00 0.00 H new ATOM 0 HA ARG A 37 5.107 -0.302 -6.159 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.498 0.127 -7.159 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.058 -0.347 -5.568 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.984 -2.461 -6.349 1.00 0.00 H new ATOM 0 HG3 ARG A 37 6.249 -2.352 -6.127 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.863 -2.390 -8.353 1.00 0.00 H new ATOM 0 HD3 ARG A 37 7.039 -1.126 -8.655 1.00 0.00 H new ATOM 0 HE ARG A 37 8.640 -3.318 -8.186 1.00 0.00 H new ATOM 0 HH11 ARG A 37 5.872 -2.705 -10.303 1.00 0.00 H new ATOM 0 HH12 ARG A 37 6.419 -3.848 -11.534 1.00 0.00 H new ATOM 0 HH21 ARG A 37 9.326 -4.780 -9.772 1.00 0.00 H new ATOM 0 HH22 ARG A 37 8.364 -5.018 -11.235 1.00 0.00 H new ATOM 604 N GLY A 38 5.372 -1.389 -3.895 1.00 0.00 N ATOM 605 CA GLY A 38 5.251 -1.843 -2.525 1.00 0.00 C ATOM 606 C GLY A 38 4.857 -3.303 -2.442 1.00 0.00 C ATOM 607 O GLY A 38 4.461 -3.902 -3.442 1.00 0.00 O ATOM 0 H GLY A 38 5.010 -2.039 -4.592 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.199 -1.694 -2.009 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.508 -1.237 -2.007 1.00 0.00 H new ATOM 611 N SER A 39 4.966 -3.881 -1.251 1.00 0.00 N ATOM 612 CA SER A 39 4.616 -5.281 -1.056 1.00 0.00 C ATOM 613 C SER A 39 3.594 -5.449 0.059 1.00 0.00 C ATOM 614 O SER A 39 3.463 -4.599 0.938 1.00 0.00 O ATOM 615 CB SER A 39 5.870 -6.114 -0.767 1.00 0.00 C ATOM 616 OG SER A 39 6.672 -6.246 -1.928 1.00 0.00 O ATOM 0 H SER A 39 5.292 -3.404 -0.411 1.00 0.00 H new ATOM 0 HA SER A 39 4.162 -5.642 -1.979 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.449 -5.642 0.027 1.00 0.00 H new ATOM 0 HB3 SER A 39 5.580 -7.101 -0.407 1.00 0.00 H new ATOM 0 HG SER A 39 7.467 -6.780 -1.718 1.00 0.00 H new ATOM 622 N TYR A 40 2.860 -6.553 0.002 1.00 0.00 N ATOM 623 CA TYR A 40 1.840 -6.845 0.995 1.00 0.00 C ATOM 624 C TYR A 40 1.704 -8.349 1.183 1.00 0.00 C ATOM 625 O TYR A 40 1.844 -9.118 0.232 1.00 0.00 O ATOM 626 CB TYR A 40 0.498 -6.233 0.569 1.00 0.00 C ATOM 627 CG TYR A 40 -0.705 -6.830 1.269 1.00 0.00 C ATOM 628 CD1 TYR A 40 -1.068 -6.414 2.544 1.00 0.00 C ATOM 629 CD2 TYR A 40 -1.472 -7.812 0.655 1.00 0.00 C ATOM 630 CE1 TYR A 40 -2.165 -6.958 3.186 1.00 0.00 C ATOM 631 CE2 TYR A 40 -2.570 -8.361 1.291 1.00 0.00 C ATOM 632 CZ TYR A 40 -2.912 -7.931 2.555 1.00 0.00 C ATOM 633 OH TYR A 40 -4.003 -8.476 3.192 1.00 0.00 O ATOM 0 H TYR A 40 2.954 -7.262 -0.725 1.00 0.00 H new ATOM 0 HA TYR A 40 2.137 -6.403 1.946 1.00 0.00 H new ATOM 0 HB2 TYR A 40 0.522 -5.161 0.763 1.00 0.00 H new ATOM 0 HB3 TYR A 40 0.379 -6.360 -0.507 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -0.484 -5.654 3.041 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -1.206 -8.152 -0.335 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -2.436 -6.623 4.176 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -3.157 -9.123 0.800 1.00 0.00 H new ATOM 0 HH TYR A 40 -4.420 -9.146 2.611 1.00 0.00 H new ATOM 643 N ASN A 41 1.429 -8.763 2.413 1.00 0.00 N ATOM 644 CA ASN A 41 1.273 -10.181 2.720 1.00 0.00 C ATOM 645 C ASN A 41 0.130 -10.773 1.902 1.00 0.00 C ATOM 646 O ASN A 41 -1.012 -10.833 2.358 1.00 0.00 O ATOM 647 CB ASN A 41 1.016 -10.398 4.219 1.00 0.00 C ATOM 648 CG ASN A 41 0.292 -9.233 4.874 1.00 0.00 C ATOM 649 OD1 ASN A 41 -0.936 -9.210 4.943 1.00 0.00 O ATOM 650 ND2 ASN A 41 1.059 -8.258 5.357 1.00 0.00 N ATOM 0 H ASN A 41 1.310 -8.141 3.212 1.00 0.00 H new ATOM 0 HA ASN A 41 2.201 -10.688 2.457 1.00 0.00 H new ATOM 0 HB2 ASN A 41 0.427 -11.306 4.353 1.00 0.00 H new ATOM 0 HB3 ASN A 41 1.968 -10.558 4.725 1.00 0.00 H new ATOM 0 HD21 ASN A 41 0.632 -7.449 5.807 1.00 0.00 H new ATOM 0 HD22 ASN A 41 2.074 -8.320 5.277 1.00 0.00 H new ATOM 657 N GLY A 42 0.451 -11.199 0.684 1.00 0.00 N ATOM 658 CA GLY A 42 -0.545 -11.770 -0.193 1.00 0.00 C ATOM 659 C GLY A 42 -0.262 -11.481 -1.654 1.00 0.00 C ATOM 660 O GLY A 42 -0.653 -12.249 -2.534 1.00 0.00 O ATOM 0 H GLY A 42 1.391 -11.157 0.290 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.585 -12.848 -0.040 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.526 -11.374 0.069 1.00 0.00 H new ATOM 664 N GLN A 43 0.423 -10.372 -1.913 1.00 0.00 N ATOM 665 CA GLN A 43 0.761 -9.988 -3.279 1.00 0.00 C ATOM 666 C GLN A 43 1.753 -8.829 -3.307 1.00 0.00 C ATOM 667 O GLN A 43 2.005 -8.183 -2.290 1.00 0.00 O ATOM 668 CB GLN A 43 -0.500 -9.614 -4.059 1.00 0.00 C ATOM 669 CG GLN A 43 -1.476 -8.759 -3.267 1.00 0.00 C ATOM 670 CD GLN A 43 -2.842 -8.685 -3.913 1.00 0.00 C ATOM 671 OE1 GLN A 43 -3.041 -7.971 -4.895 1.00 0.00 O ATOM 672 NE2 GLN A 43 -3.794 -9.427 -3.362 1.00 0.00 N ATOM 0 H GLN A 43 0.754 -9.725 -1.197 1.00 0.00 H new ATOM 0 HA GLN A 43 1.233 -10.849 -3.753 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -0.212 -9.078 -4.963 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -1.005 -10.527 -4.376 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -1.576 -9.166 -2.261 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -1.071 -7.752 -3.165 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -3.584 -10.004 -2.548 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -4.736 -9.420 -3.753 1.00 0.00 H new ATOM 681 N ILE A 44 2.317 -8.578 -4.487 1.00 0.00 N ATOM 682 CA ILE A 44 3.288 -7.505 -4.665 1.00 0.00 C ATOM 683 C ILE A 44 3.005 -6.719 -5.945 1.00 0.00 C ATOM 684 O ILE A 44 2.377 -7.226 -6.874 1.00 0.00 O ATOM 685 CB ILE A 44 4.731 -8.067 -4.691 1.00 0.00 C ATOM 686 CG1 ILE A 44 5.285 -8.126 -3.271 1.00 0.00 C ATOM 687 CG2 ILE A 44 5.649 -7.235 -5.582 1.00 0.00 C ATOM 688 CD1 ILE A 44 4.934 -9.399 -2.535 1.00 0.00 C ATOM 0 H ILE A 44 2.116 -9.107 -5.336 1.00 0.00 H new ATOM 0 HA ILE A 44 3.195 -6.827 -3.816 1.00 0.00 H new ATOM 0 HB ILE A 44 4.693 -9.072 -5.112 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.370 -8.026 -3.309 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.906 -7.274 -2.707 1.00 0.00 H new ATOM 0 HG21 ILE A 44 6.651 -7.663 -5.572 1.00 0.00 H new ATOM 0 HG22 ILE A 44 5.264 -7.235 -6.602 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.688 -6.211 -5.209 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.362 -9.370 -1.533 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.850 -9.492 -2.465 1.00 0.00 H new ATOM 0 HD13 ILE A 44 5.337 -10.255 -3.076 1.00 0.00 H new ATOM 700 N GLY A 45 3.478 -5.476 -5.984 1.00 0.00 N ATOM 701 CA GLY A 45 3.271 -4.639 -7.151 1.00 0.00 C ATOM 702 C GLY A 45 3.131 -3.173 -6.797 1.00 0.00 C ATOM 703 O GLY A 45 4.123 -2.486 -6.560 1.00 0.00 O ATOM 0 H GLY A 45 4.001 -5.034 -5.228 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.108 -4.765 -7.837 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.375 -4.970 -7.677 1.00 0.00 H new ATOM 707 N TRP A 46 1.894 -2.693 -6.760 1.00 0.00 N ATOM 708 CA TRP A 46 1.623 -1.299 -6.431 1.00 0.00 C ATOM 709 C TRP A 46 1.209 -1.165 -4.972 1.00 0.00 C ATOM 710 O TRP A 46 0.569 -2.056 -4.416 1.00 0.00 O ATOM 711 CB TRP A 46 0.523 -0.728 -7.328 1.00 0.00 C ATOM 712 CG TRP A 46 0.711 0.728 -7.627 1.00 0.00 C ATOM 713 CD1 TRP A 46 1.855 1.333 -8.059 1.00 0.00 C ATOM 714 CD2 TRP A 46 -0.272 1.763 -7.505 1.00 0.00 C ATOM 715 NE1 TRP A 46 1.647 2.681 -8.210 1.00 0.00 N ATOM 716 CE2 TRP A 46 0.348 2.971 -7.880 1.00 0.00 C ATOM 717 CE3 TRP A 46 -1.616 1.788 -7.118 1.00 0.00 C ATOM 718 CZ2 TRP A 46 -0.329 4.188 -7.876 1.00 0.00 C ATOM 719 CZ3 TRP A 46 -2.287 2.996 -7.116 1.00 0.00 C ATOM 720 CH2 TRP A 46 -1.643 4.182 -7.494 1.00 0.00 C ATOM 0 H TRP A 46 1.061 -3.249 -6.954 1.00 0.00 H new ATOM 0 HA TRP A 46 2.541 -0.735 -6.598 1.00 0.00 H new ATOM 0 HB2 TRP A 46 0.499 -1.286 -8.264 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -0.444 -0.873 -6.846 1.00 0.00 H new ATOM 0 HD1 TRP A 46 2.788 0.825 -8.254 1.00 0.00 H new ATOM 0 HE1 TRP A 46 2.345 3.358 -8.518 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -2.121 0.879 -6.826 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 0.165 5.104 -8.164 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -3.325 3.027 -6.818 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -2.195 5.110 -7.484 1.00 0.00 H new ATOM 731 N PHE A 47 1.586 -0.052 -4.353 1.00 0.00 N ATOM 732 CA PHE A 47 1.250 0.187 -2.953 1.00 0.00 C ATOM 733 C PHE A 47 -0.205 0.649 -2.797 1.00 0.00 C ATOM 734 O PHE A 47 -0.760 1.302 -3.681 1.00 0.00 O ATOM 735 CB PHE A 47 2.212 1.220 -2.343 1.00 0.00 C ATOM 736 CG PHE A 47 1.982 2.646 -2.788 1.00 0.00 C ATOM 737 CD1 PHE A 47 1.294 2.937 -3.959 1.00 0.00 C ATOM 738 CD2 PHE A 47 2.462 3.700 -2.024 1.00 0.00 C ATOM 739 CE1 PHE A 47 1.090 4.245 -4.353 1.00 0.00 C ATOM 740 CE2 PHE A 47 2.262 5.009 -2.417 1.00 0.00 C ATOM 741 CZ PHE A 47 1.574 5.282 -3.583 1.00 0.00 C ATOM 0 H PHE A 47 2.121 0.696 -4.795 1.00 0.00 H new ATOM 0 HA PHE A 47 1.358 -0.755 -2.416 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.128 1.176 -1.257 1.00 0.00 H new ATOM 0 HB3 PHE A 47 3.234 0.937 -2.596 1.00 0.00 H new ATOM 0 HD1 PHE A 47 0.914 2.131 -4.569 1.00 0.00 H new ATOM 0 HD2 PHE A 47 2.999 3.494 -1.110 1.00 0.00 H new ATOM 0 HE1 PHE A 47 0.551 4.456 -5.265 1.00 0.00 H new ATOM 0 HE2 PHE A 47 2.644 5.819 -1.813 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.415 6.305 -3.891 1.00 0.00 H new ATOM 751 N PRO A 48 -0.850 0.305 -1.667 1.00 0.00 N ATOM 752 CA PRO A 48 -2.233 0.681 -1.394 1.00 0.00 C ATOM 753 C PRO A 48 -2.323 1.982 -0.603 1.00 0.00 C ATOM 754 O PRO A 48 -3.228 2.167 0.207 1.00 0.00 O ATOM 755 CB PRO A 48 -2.718 -0.491 -0.549 1.00 0.00 C ATOM 756 CG PRO A 48 -1.509 -0.947 0.209 1.00 0.00 C ATOM 757 CD PRO A 48 -0.289 -0.485 -0.561 1.00 0.00 C ATOM 0 HA PRO A 48 -2.815 0.858 -2.298 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -3.517 -0.186 0.127 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -3.117 -1.290 -1.174 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -1.508 -0.530 1.216 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -1.508 -2.032 0.314 1.00 0.00 H new ATOM 0 HD2 PRO A 48 0.374 0.115 0.063 1.00 0.00 H new ATOM 0 HD3 PRO A 48 0.295 -1.329 -0.928 1.00 0.00 H new ATOM 765 N SER A 49 -1.362 2.869 -0.845 1.00 0.00 N ATOM 766 CA SER A 49 -1.274 4.163 -0.165 1.00 0.00 C ATOM 767 C SER A 49 -2.627 4.841 0.053 1.00 0.00 C ATOM 768 O SER A 49 -2.745 5.700 0.935 1.00 0.00 O ATOM 769 CB SER A 49 -0.363 5.098 -0.956 1.00 0.00 C ATOM 770 OG SER A 49 0.771 5.472 -0.191 1.00 0.00 O ATOM 0 H SER A 49 -0.616 2.711 -1.523 1.00 0.00 H new ATOM 0 HA SER A 49 -0.864 3.960 0.824 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.041 4.606 -1.874 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.918 5.989 -1.250 1.00 0.00 H new ATOM 0 HG SER A 49 1.566 5.017 -0.540 1.00 0.00 H new ATOM 776 N ASN A 50 -3.642 4.468 -0.735 1.00 0.00 N ATOM 777 CA ASN A 50 -4.964 5.076 -0.618 1.00 0.00 C ATOM 778 C ASN A 50 -5.346 5.271 0.843 1.00 0.00 C ATOM 779 O ASN A 50 -6.021 6.238 1.192 1.00 0.00 O ATOM 780 CB ASN A 50 -5.993 4.203 -1.322 1.00 0.00 C ATOM 781 CG ASN A 50 -6.296 4.685 -2.721 1.00 0.00 C ATOM 782 OD1 ASN A 50 -5.757 4.171 -3.701 1.00 0.00 O ATOM 783 ND2 ASN A 50 -7.167 5.678 -2.820 1.00 0.00 N ATOM 0 H ASN A 50 -3.570 3.751 -1.457 1.00 0.00 H new ATOM 0 HA ASN A 50 -4.940 6.057 -1.092 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -5.627 3.177 -1.365 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -6.913 4.188 -0.738 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -7.416 6.048 -3.737 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.588 6.073 -1.979 1.00 0.00 H new ATOM 790 N TYR A 51 -4.858 4.383 1.697 1.00 0.00 N ATOM 791 CA TYR A 51 -5.096 4.497 3.124 1.00 0.00 C ATOM 792 C TYR A 51 -4.071 3.673 3.886 1.00 0.00 C ATOM 793 O TYR A 51 -4.412 2.700 4.560 1.00 0.00 O ATOM 794 CB TYR A 51 -6.511 4.028 3.468 1.00 0.00 C ATOM 795 CG TYR A 51 -7.596 4.949 2.957 1.00 0.00 C ATOM 796 CD1 TYR A 51 -7.748 6.228 3.475 1.00 0.00 C ATOM 797 CD2 TYR A 51 -8.467 4.538 1.955 1.00 0.00 C ATOM 798 CE1 TYR A 51 -8.737 7.074 3.008 1.00 0.00 C ATOM 799 CE2 TYR A 51 -9.458 5.378 1.482 1.00 0.00 C ATOM 800 CZ TYR A 51 -9.589 6.644 2.012 1.00 0.00 C ATOM 801 OH TYR A 51 -10.575 7.483 1.545 1.00 0.00 O ATOM 0 H TYR A 51 -4.295 3.577 1.424 1.00 0.00 H new ATOM 0 HA TYR A 51 -4.998 5.543 3.414 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -6.666 3.032 3.052 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -6.602 3.939 4.551 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -7.083 6.568 4.255 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -8.368 3.546 1.539 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -8.842 8.066 3.421 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -10.126 5.044 0.702 1.00 0.00 H new ATOM 0 HH TYR A 51 -11.087 7.028 0.844 1.00 0.00 H new ATOM 811 N VAL A 52 -2.806 4.070 3.777 1.00 0.00 N ATOM 812 CA VAL A 52 -1.732 3.366 4.463 1.00 0.00 C ATOM 813 C VAL A 52 -0.710 4.323 5.070 1.00 0.00 C ATOM 814 O VAL A 52 -0.650 5.499 4.708 1.00 0.00 O ATOM 815 CB VAL A 52 -1.018 2.362 3.528 1.00 0.00 C ATOM 816 CG1 VAL A 52 -1.994 1.795 2.515 1.00 0.00 C ATOM 817 CG2 VAL A 52 0.171 3.002 2.821 1.00 0.00 C ATOM 0 H VAL A 52 -2.503 4.871 3.223 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.204 2.813 5.275 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.637 1.548 4.145 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.475 1.090 1.865 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.802 1.281 3.036 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.407 2.606 1.915 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.648 2.267 2.173 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.173 3.845 2.222 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.889 3.352 3.562 1.00 0.00 H new ATOM 827 N LEU A 53 0.098 3.800 5.985 1.00 0.00 N ATOM 828 CA LEU A 53 1.132 4.580 6.639 1.00 0.00 C ATOM 829 C LEU A 53 2.483 3.906 6.447 1.00 0.00 C ATOM 830 O LEU A 53 2.684 2.783 6.892 1.00 0.00 O ATOM 831 CB LEU A 53 0.821 4.694 8.130 1.00 0.00 C ATOM 832 CG LEU A 53 0.477 6.093 8.647 1.00 0.00 C ATOM 833 CD1 LEU A 53 1.239 7.170 7.886 1.00 0.00 C ATOM 834 CD2 LEU A 53 -1.023 6.318 8.555 1.00 0.00 C ATOM 0 H LEU A 53 0.052 2.828 6.291 1.00 0.00 H new ATOM 0 HA LEU A 53 1.163 5.577 6.199 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.014 4.031 8.357 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.682 4.325 8.688 1.00 0.00 H new ATOM 0 HG LEU A 53 0.782 6.161 9.691 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.971 8.151 8.278 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.311 7.011 8.006 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.981 7.120 6.828 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.265 7.315 8.924 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.341 6.228 7.516 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.540 5.572 9.159 1.00 0.00 H new ATOM 846 N GLU A 54 3.404 4.588 5.780 1.00 0.00 N ATOM 847 CA GLU A 54 4.726 4.026 5.534 1.00 0.00 C ATOM 848 C GLU A 54 5.786 4.662 6.427 1.00 0.00 C ATOM 849 O GLU A 54 5.894 5.886 6.508 1.00 0.00 O ATOM 850 CB GLU A 54 5.107 4.203 4.066 1.00 0.00 C ATOM 851 CG GLU A 54 6.446 3.586 3.713 1.00 0.00 C ATOM 852 CD GLU A 54 7.367 4.554 2.997 1.00 0.00 C ATOM 853 OE1 GLU A 54 7.043 4.948 1.857 1.00 0.00 O ATOM 854 OE2 GLU A 54 8.411 4.918 3.576 1.00 0.00 O ATOM 0 H GLU A 54 3.262 5.525 5.402 1.00 0.00 H new ATOM 0 HA GLU A 54 4.683 2.964 5.773 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.334 3.756 3.441 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.132 5.267 3.831 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.931 3.236 4.624 1.00 0.00 H new ATOM 0 HG3 GLU A 54 6.283 2.712 3.082 1.00 0.00 H new ATOM 861 N GLU A 55 6.573 3.818 7.088 1.00 0.00 N ATOM 862 CA GLU A 55 7.631 4.285 7.967 1.00 0.00 C ATOM 863 C GLU A 55 8.957 4.369 7.219 1.00 0.00 C ATOM 864 O GLU A 55 9.291 3.486 6.429 1.00 0.00 O ATOM 865 CB GLU A 55 7.771 3.353 9.172 1.00 0.00 C ATOM 866 CG GLU A 55 6.442 2.911 9.754 1.00 0.00 C ATOM 867 CD GLU A 55 6.309 3.240 11.228 1.00 0.00 C ATOM 868 OE1 GLU A 55 6.499 4.419 11.593 1.00 0.00 O ATOM 869 OE2 GLU A 55 6.017 2.318 12.018 1.00 0.00 O ATOM 0 H GLU A 55 6.494 2.803 7.028 1.00 0.00 H new ATOM 0 HA GLU A 55 7.366 5.282 8.318 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.340 2.472 8.875 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.348 3.858 9.947 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.632 3.391 9.205 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.329 1.836 9.614 1.00 0.00 H new ATOM 876 N VAL A 56 9.705 5.438 7.466 1.00 0.00 N ATOM 877 CA VAL A 56 10.990 5.637 6.812 1.00 0.00 C ATOM 878 C VAL A 56 12.085 4.812 7.481 1.00 0.00 C ATOM 879 O VAL A 56 12.911 5.344 8.222 1.00 0.00 O ATOM 880 CB VAL A 56 11.403 7.121 6.818 1.00 0.00 C ATOM 881 CG1 VAL A 56 12.533 7.362 5.829 1.00 0.00 C ATOM 882 CG2 VAL A 56 10.209 8.010 6.506 1.00 0.00 C ATOM 0 H VAL A 56 9.442 6.180 8.115 1.00 0.00 H new ATOM 0 HA VAL A 56 10.871 5.306 5.780 1.00 0.00 H new ATOM 0 HB VAL A 56 11.763 7.377 7.815 1.00 0.00 H new ATOM 0 HG11 VAL A 56 12.813 8.415 5.846 1.00 0.00 H new ATOM 0 HG12 VAL A 56 13.394 6.753 6.105 1.00 0.00 H new ATOM 0 HG13 VAL A 56 12.203 7.090 4.826 1.00 0.00 H new ATOM 0 HG21 VAL A 56 10.521 9.054 6.515 1.00 0.00 H new ATOM 0 HG22 VAL A 56 9.815 7.757 5.522 1.00 0.00 H new ATOM 0 HG23 VAL A 56 9.435 7.856 7.258 1.00 0.00 H new ATOM 892 N ASP A 57 12.085 3.510 7.216 1.00 0.00 N ATOM 893 CA ASP A 57 13.079 2.613 7.792 1.00 0.00 C ATOM 894 C ASP A 57 14.473 2.934 7.262 1.00 0.00 C ATOM 895 O ASP A 57 15.443 2.299 7.726 1.00 0.00 O ATOM 896 CB ASP A 57 12.725 1.157 7.483 1.00 0.00 C ATOM 897 CG ASP A 57 13.480 0.178 8.361 1.00 0.00 C ATOM 898 OD1 ASP A 57 13.988 0.600 9.421 1.00 0.00 O ATOM 899 OD2 ASP A 57 13.564 -1.012 7.989 1.00 0.00 O ATOM 900 OXT ASP A 57 14.581 3.817 6.384 1.00 0.00 O ATOM 0 H ASP A 57 11.407 3.053 6.606 1.00 0.00 H new ATOM 0 HA ASP A 57 13.078 2.757 8.872 1.00 0.00 H new ATOM 0 HB2 ASP A 57 11.653 1.010 7.618 1.00 0.00 H new ATOM 0 HB3 ASP A 57 12.946 0.947 6.436 1.00 0.00 H new TER 905 ASP A 57