USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 387 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 139:sc= 0.0192 (180deg=-0.00763) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0399 USER MOD Single : A 25 THR OG1 : rot -49:sc= 1.14 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0.088 X(o=0.088,f=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.00212 USER MOD Single : A 34 TYR OH : rot 180:sc= 0.18 USER MOD Single : A 37 TYR OH : rot 30:sc= -3.17! USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 81:sc= 0.914 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.0111 X(o=-0.011,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0249) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 6.124 -18.052 -6.893 0.01 0.01 N ATOM 2 CA ALA A 1 4.722 -18.512 -6.703 1.00 0.00 C ATOM 3 C ALA A 1 3.973 -17.679 -5.637 1.00 0.00 C ATOM 4 O ALA A 1 3.322 -18.237 -4.751 1.00 0.00 O ATOM 5 CB ALA A 1 4.694 -20.032 -6.400 1.00 0.00 C ATOM 0 H1 ALA A 1 6.587 -18.639 -7.616 0.01 0.01 H new ATOM 0 H2 ALA A 1 6.125 -17.059 -7.201 0.01 0.01 H new ATOM 0 H3 ALA A 1 6.642 -18.137 -5.995 0.01 0.01 H new ATOM 0 HA ALA A 1 4.181 -18.349 -7.635 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.663 -20.357 -6.263 1.00 0.00 H new ATOM 0 HB2 ALA A 1 5.138 -20.577 -7.233 1.00 0.00 H new ATOM 0 HB3 ALA A 1 5.261 -20.232 -5.491 1.00 0.00 H new ATOM 13 N LEU A 2 4.048 -16.339 -5.697 1.00 0.00 N ATOM 14 CA LEU A 2 3.343 -15.441 -4.766 1.00 0.00 C ATOM 15 C LEU A 2 1.815 -15.646 -4.832 1.00 0.00 C ATOM 16 O LEU A 2 1.182 -15.387 -5.860 1.00 0.00 O ATOM 17 CB LEU A 2 3.732 -13.974 -5.052 1.00 0.00 C ATOM 18 CG LEU A 2 5.010 -13.540 -4.308 1.00 0.00 C ATOM 19 CD1 LEU A 2 5.610 -12.289 -4.948 1.00 0.00 C ATOM 20 CD2 LEU A 2 4.724 -13.223 -2.836 1.00 0.00 C ATOM 0 H LEU A 2 4.602 -15.845 -6.396 1.00 0.00 H new ATOM 0 HA LEU A 2 3.650 -15.686 -3.749 1.00 0.00 H new ATOM 0 HB2 LEU A 2 3.879 -13.844 -6.124 1.00 0.00 H new ATOM 0 HB3 LEU A 2 2.909 -13.321 -4.762 1.00 0.00 H new ATOM 0 HG LEU A 2 5.709 -14.374 -4.374 1.00 0.00 H new ATOM 0 HD11 LEU A 2 6.511 -12.000 -4.407 1.00 0.00 H new ATOM 0 HD12 LEU A 2 5.862 -12.497 -5.988 1.00 0.00 H new ATOM 0 HD13 LEU A 2 4.885 -11.476 -4.906 1.00 0.00 H new ATOM 0 HD21 LEU A 2 5.648 -12.921 -2.343 1.00 0.00 H new ATOM 0 HD22 LEU A 2 3.997 -12.413 -2.773 1.00 0.00 H new ATOM 0 HD23 LEU A 2 4.323 -14.109 -2.344 1.00 0.00 H new ATOM 32 N VAL A 3 1.232 -16.137 -3.735 1.00 0.00 N ATOM 33 CA VAL A 3 -0.208 -16.427 -3.607 1.00 0.00 C ATOM 34 C VAL A 3 -1.030 -15.156 -3.847 1.00 0.00 C ATOM 35 O VAL A 3 -0.845 -14.154 -3.151 1.00 0.00 O ATOM 36 CB VAL A 3 -0.536 -17.017 -2.215 1.00 0.00 C ATOM 37 CG1 VAL A 3 -1.997 -17.478 -2.086 1.00 0.00 C ATOM 38 CG2 VAL A 3 0.339 -18.237 -1.889 1.00 0.00 C ATOM 0 H VAL A 3 1.757 -16.351 -2.887 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.470 -17.168 -4.362 1.00 0.00 H new ATOM 0 HB VAL A 3 -0.342 -16.199 -1.522 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.164 -17.882 -1.088 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.662 -16.630 -2.251 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -2.202 -18.249 -2.828 1.00 0.00 H new ATOM 0 HG21 VAL A 3 0.076 -18.620 -0.903 1.00 0.00 H new ATOM 0 HG22 VAL A 3 0.174 -19.013 -2.636 1.00 0.00 H new ATOM 0 HG23 VAL A 3 1.389 -17.944 -1.896 1.00 0.00 H new ATOM 48 N ASP A 4 -1.968 -15.189 -4.799 1.00 0.00 N ATOM 49 CA ASP A 4 -2.860 -14.052 -5.101 1.00 0.00 C ATOM 50 C ASP A 4 -3.663 -13.562 -3.885 1.00 0.00 C ATOM 51 O ASP A 4 -3.908 -12.367 -3.770 1.00 0.00 O ATOM 52 CB ASP A 4 -3.800 -14.394 -6.273 1.00 0.00 C ATOM 53 CG ASP A 4 -3.083 -14.429 -7.638 1.00 0.00 C ATOM 54 OD1 ASP A 4 -2.548 -13.375 -8.062 1.00 0.00 O ATOM 55 OD2 ASP A 4 -3.074 -15.500 -8.291 1.00 0.00 O ATOM 0 H ASP A 4 -2.135 -16.006 -5.387 1.00 0.00 H new ATOM 0 HA ASP A 4 -2.211 -13.225 -5.389 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -4.262 -15.364 -6.088 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -4.604 -13.659 -6.311 1.00 0.00 H new ATOM 60 N GLU A 5 -3.983 -14.451 -2.938 1.00 0.00 N ATOM 61 CA GLU A 5 -4.609 -14.130 -1.634 1.00 0.00 C ATOM 62 C GLU A 5 -3.803 -13.144 -0.782 1.00 0.00 C ATOM 63 O GLU A 5 -4.388 -12.253 -0.167 1.00 0.00 O ATOM 64 CB GLU A 5 -4.840 -15.410 -0.805 1.00 0.00 C ATOM 65 CG GLU A 5 -6.266 -15.558 -0.268 1.00 0.00 C ATOM 66 CD GLU A 5 -6.938 -16.776 -0.891 1.00 0.00 C ATOM 67 OE1 GLU A 5 -7.501 -16.647 -2.000 1.00 0.00 O ATOM 68 OE2 GLU A 5 -6.902 -17.860 -0.264 1.00 0.00 O ATOM 0 H GLU A 5 -3.811 -15.450 -3.054 1.00 0.00 H new ATOM 0 HA GLU A 5 -5.556 -13.652 -1.887 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.604 -16.277 -1.422 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.145 -15.417 0.034 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -6.245 -15.660 0.817 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -6.842 -14.661 -0.493 1.00 0.00 H new ATOM 75 N VAL A 6 -2.468 -13.267 -0.778 1.00 0.00 N ATOM 76 CA VAL A 6 -1.571 -12.269 -0.159 1.00 0.00 C ATOM 77 C VAL A 6 -1.714 -10.937 -0.878 1.00 0.00 C ATOM 78 O VAL A 6 -1.951 -9.929 -0.220 1.00 0.00 O ATOM 79 CB VAL A 6 -0.082 -12.688 -0.167 1.00 0.00 C ATOM 80 CG1 VAL A 6 0.863 -11.556 0.271 1.00 0.00 C ATOM 81 CG2 VAL A 6 0.135 -13.873 0.779 1.00 0.00 C ATOM 0 H VAL A 6 -1.977 -14.055 -1.200 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.875 -12.187 0.884 1.00 0.00 H new ATOM 0 HB VAL A 6 0.153 -12.953 -1.198 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.893 -11.911 0.245 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.754 -10.709 -0.406 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.612 -11.245 1.285 1.00 0.00 H new ATOM 0 HG21 VAL A 6 1.186 -14.161 0.767 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.151 -13.588 1.791 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.476 -14.715 0.453 1.00 0.00 H new ATOM 91 N LYS A 7 -1.629 -10.933 -2.216 1.00 0.00 N ATOM 92 CA LYS A 7 -1.802 -9.711 -3.002 1.00 0.00 C ATOM 93 C LYS A 7 -3.128 -9.006 -2.655 1.00 0.00 C ATOM 94 O LYS A 7 -3.093 -7.834 -2.303 1.00 0.00 O ATOM 95 CB LYS A 7 -1.674 -9.976 -4.523 1.00 0.00 C ATOM 96 CG LYS A 7 -0.449 -9.283 -5.166 1.00 0.00 C ATOM 97 CD LYS A 7 -0.737 -8.600 -6.519 1.00 0.00 C ATOM 98 CE LYS A 7 -0.748 -9.496 -7.768 1.00 0.00 C ATOM 99 NZ LYS A 7 -1.812 -10.521 -7.755 1.00 0.00 N ATOM 0 H LYS A 7 -1.441 -11.766 -2.774 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.990 -9.036 -2.732 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.605 -11.051 -4.693 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.580 -9.632 -5.022 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.064 -8.537 -4.471 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.338 -10.023 -5.307 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.706 -8.106 -6.449 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.009 -7.819 -6.669 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.870 -8.870 -8.652 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.219 -9.990 -7.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.233 -10.596 -8.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -1.406 -11.439 -7.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.547 -10.250 -7.070 1.00 0.00 H new ATOM 113 N ASP A 8 -4.274 -9.700 -2.658 1.00 0.00 N ATOM 114 CA ASP A 8 -5.589 -9.142 -2.293 1.00 0.00 C ATOM 115 C ASP A 8 -5.623 -8.517 -0.890 1.00 0.00 C ATOM 116 O ASP A 8 -6.074 -7.386 -0.758 1.00 0.00 O ATOM 117 CB ASP A 8 -6.687 -10.216 -2.447 1.00 0.00 C ATOM 118 CG ASP A 8 -7.262 -10.304 -3.880 1.00 0.00 C ATOM 119 OD1 ASP A 8 -8.230 -9.565 -4.181 1.00 0.00 O ATOM 120 OD2 ASP A 8 -6.773 -11.121 -4.697 1.00 0.00 O ATOM 0 H ASP A 8 -4.317 -10.685 -2.919 1.00 0.00 H new ATOM 0 HA ASP A 8 -5.783 -8.324 -2.987 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -6.277 -11.187 -2.167 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -7.497 -9.999 -1.751 1.00 0.00 H new ATOM 125 N MET A 9 -5.122 -9.191 0.150 1.00 0.00 N ATOM 126 CA MET A 9 -5.024 -8.616 1.513 1.00 0.00 C ATOM 127 C MET A 9 -4.166 -7.334 1.597 1.00 0.00 C ATOM 128 O MET A 9 -4.563 -6.326 2.185 1.00 0.00 O ATOM 129 CB MET A 9 -4.430 -9.657 2.481 1.00 0.00 C ATOM 130 CG MET A 9 -5.506 -10.277 3.369 1.00 0.00 C ATOM 131 SD MET A 9 -4.842 -11.331 4.687 1.00 0.00 S ATOM 132 CE MET A 9 -6.340 -11.546 5.684 1.00 0.00 C ATOM 0 H MET A 9 -4.772 -10.147 0.081 1.00 0.00 H new ATOM 0 HA MET A 9 -6.043 -8.344 1.789 1.00 0.00 H new ATOM 0 HB2 MET A 9 -3.931 -10.441 1.912 1.00 0.00 H new ATOM 0 HB3 MET A 9 -3.671 -9.184 3.104 1.00 0.00 H new ATOM 0 HG2 MET A 9 -6.099 -9.480 3.817 1.00 0.00 H new ATOM 0 HG3 MET A 9 -6.181 -10.867 2.749 1.00 0.00 H new ATOM 0 HE1 MET A 9 -6.116 -12.174 6.546 1.00 0.00 H new ATOM 0 HE2 MET A 9 -6.692 -10.573 6.026 1.00 0.00 H new ATOM 0 HE3 MET A 9 -7.114 -12.021 5.080 1.00 0.00 H new ATOM 142 N GLU A 10 -2.988 -7.402 0.973 1.00 0.00 N ATOM 143 CA GLU A 10 -2.035 -6.286 0.880 1.00 0.00 C ATOM 144 C GLU A 10 -2.611 -5.096 0.099 1.00 0.00 C ATOM 145 O GLU A 10 -2.429 -3.943 0.490 1.00 0.00 O ATOM 146 CB GLU A 10 -0.698 -6.750 0.291 1.00 0.00 C ATOM 147 CG GLU A 10 0.478 -6.561 1.250 1.00 0.00 C ATOM 148 CD GLU A 10 1.184 -7.865 1.600 1.00 0.00 C ATOM 149 OE1 GLU A 10 0.731 -8.546 2.547 1.00 0.00 O ATOM 150 OE2 GLU A 10 2.228 -8.171 0.981 1.00 0.00 O ATOM 0 H GLU A 10 -2.661 -8.249 0.508 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.850 -5.935 1.895 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.773 -7.803 0.021 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.502 -6.198 -0.628 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.197 -5.875 0.802 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.119 -6.093 2.166 1.00 0.00 H new ATOM 157 N ILE A 11 -3.411 -5.378 -0.931 1.00 0.00 N ATOM 158 CA ILE A 11 -4.178 -4.402 -1.716 1.00 0.00 C ATOM 159 C ILE A 11 -5.321 -3.777 -0.883 1.00 0.00 C ATOM 160 O ILE A 11 -5.523 -2.565 -0.900 1.00 0.00 O ATOM 161 CB ILE A 11 -4.713 -5.073 -3.003 1.00 0.00 C ATOM 162 CG1 ILE A 11 -3.550 -5.299 -3.994 1.00 0.00 C ATOM 163 CG2 ILE A 11 -5.820 -4.226 -3.660 1.00 0.00 C ATOM 164 CD1 ILE A 11 -3.869 -6.340 -5.081 1.00 0.00 C ATOM 0 H ILE A 11 -3.550 -6.334 -1.257 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.515 -3.585 -2.000 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.150 -6.034 -2.732 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.299 -4.351 -4.471 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.668 -5.621 -3.441 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -6.174 -4.726 -4.562 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.649 -4.106 -2.962 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.421 -3.246 -3.921 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.010 -6.450 -5.743 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.091 -7.299 -4.613 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.732 -6.010 -5.659 1.00 0.00 H new ATOM 176 N ALA A 12 -6.067 -4.573 -0.113 1.00 0.00 N ATOM 177 CA ALA A 12 -7.127 -4.084 0.777 1.00 0.00 C ATOM 178 C ALA A 12 -6.582 -3.106 1.837 1.00 0.00 C ATOM 179 O ALA A 12 -7.186 -2.068 2.134 1.00 0.00 O ATOM 180 CB ALA A 12 -7.808 -5.286 1.450 1.00 0.00 C ATOM 0 H ALA A 12 -5.952 -5.586 -0.089 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.853 -3.532 0.181 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.597 -4.933 2.113 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.239 -5.934 0.687 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -7.072 -5.845 2.028 1.00 0.00 H new ATOM 186 N ARG A 13 -5.381 -3.406 2.341 1.00 0.00 N ATOM 187 CA ARG A 13 -4.602 -2.509 3.187 1.00 0.00 C ATOM 188 C ARG A 13 -4.393 -1.131 2.533 1.00 0.00 C ATOM 189 O ARG A 13 -4.571 -0.118 3.204 1.00 0.00 O ATOM 190 CB ARG A 13 -3.269 -3.186 3.576 1.00 0.00 C ATOM 191 CG ARG A 13 -3.287 -3.663 5.038 1.00 0.00 C ATOM 192 CD ARG A 13 -3.336 -2.509 6.056 1.00 0.00 C ATOM 193 NE ARG A 13 -4.194 -2.820 7.212 1.00 0.00 N ATOM 194 CZ ARG A 13 -4.137 -2.260 8.411 1.00 0.00 C ATOM 195 NH1 ARG A 13 -3.273 -1.329 8.718 1.00 0.00 N ATOM 196 NH2 ARG A 13 -4.969 -2.633 9.344 1.00 0.00 N ATOM 0 H ARG A 13 -4.918 -4.298 2.166 1.00 0.00 H new ATOM 0 HA ARG A 13 -5.165 -2.317 4.100 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -3.084 -4.035 2.917 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.447 -2.485 3.431 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -4.151 -4.310 5.191 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.399 -4.267 5.227 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.326 -2.291 6.404 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -3.705 -1.609 5.564 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.904 -3.539 7.075 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -2.604 -1.004 8.020 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -3.268 -0.927 9.656 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -5.663 -3.355 9.150 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -4.926 -2.202 10.268 1.00 0.00 H new ATOM 210 N LEU A 14 -4.128 -1.077 1.224 1.00 0.00 N ATOM 211 CA LEU A 14 -4.023 0.182 0.460 1.00 0.00 C ATOM 212 C LEU A 14 -5.281 1.044 0.499 1.00 0.00 C ATOM 213 O LEU A 14 -5.205 2.255 0.720 1.00 0.00 O ATOM 214 CB LEU A 14 -3.700 -0.061 -1.019 1.00 0.00 C ATOM 215 CG LEU A 14 -2.653 -1.130 -1.283 1.00 0.00 C ATOM 216 CD1 LEU A 14 -2.517 -1.293 -2.789 1.00 0.00 C ATOM 217 CD2 LEU A 14 -1.331 -0.850 -0.588 1.00 0.00 C ATOM 0 H LEU A 14 -3.978 -1.910 0.655 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.211 0.711 0.960 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.619 -0.339 -1.535 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.359 0.876 -1.459 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.980 -2.075 -0.848 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.770 -2.056 -3.006 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.476 -1.594 -3.211 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.207 -0.346 -3.231 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.624 -1.648 -0.815 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.929 0.100 -0.939 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.490 -0.801 0.489 1.00 0.00 H new ATOM 229 N MET A 15 -6.451 0.435 0.304 1.00 0.00 N ATOM 230 CA MET A 15 -7.739 1.125 0.394 1.00 0.00 C ATOM 231 C MET A 15 -7.948 1.819 1.755 1.00 0.00 C ATOM 232 O MET A 15 -8.504 2.917 1.810 1.00 0.00 O ATOM 233 CB MET A 15 -8.852 0.088 0.145 1.00 0.00 C ATOM 234 CG MET A 15 -10.041 0.693 -0.598 1.00 0.00 C ATOM 235 SD MET A 15 -9.707 1.008 -2.355 1.00 0.00 S ATOM 236 CE MET A 15 -11.100 2.098 -2.744 1.00 0.00 C ATOM 0 H MET A 15 -6.533 -0.556 0.078 1.00 0.00 H new ATOM 0 HA MET A 15 -7.764 1.915 -0.357 1.00 0.00 H new ATOM 0 HB2 MET A 15 -8.449 -0.745 -0.432 1.00 0.00 H new ATOM 0 HB3 MET A 15 -9.189 -0.318 1.099 1.00 0.00 H new ATOM 0 HG2 MET A 15 -10.894 0.020 -0.513 1.00 0.00 H new ATOM 0 HG3 MET A 15 -10.324 1.629 -0.116 1.00 0.00 H new ATOM 0 HE1 MET A 15 -11.051 2.391 -3.793 1.00 0.00 H new ATOM 0 HE2 MET A 15 -12.036 1.572 -2.557 1.00 0.00 H new ATOM 0 HE3 MET A 15 -11.052 2.988 -2.116 1.00 0.00 H new ATOM 246 N SER A 16 -7.443 1.225 2.844 1.00 0.00 N ATOM 247 CA SER A 16 -7.449 1.834 4.188 1.00 0.00 C ATOM 248 C SER A 16 -6.703 3.190 4.287 1.00 0.00 C ATOM 249 O SER A 16 -7.136 4.086 5.019 1.00 0.00 O ATOM 250 CB SER A 16 -6.866 0.838 5.211 1.00 0.00 C ATOM 251 OG SER A 16 -7.772 0.622 6.279 1.00 0.00 O ATOM 0 H SER A 16 -7.014 0.300 2.821 1.00 0.00 H new ATOM 0 HA SER A 16 -8.493 2.057 4.410 1.00 0.00 H new ATOM 0 HB2 SER A 16 -6.646 -0.109 4.718 1.00 0.00 H new ATOM 0 HB3 SER A 16 -5.923 1.221 5.601 1.00 0.00 H new ATOM 0 HG SER A 16 -7.383 -0.014 6.915 1.00 0.00 H new ATOM 257 N LEU A 17 -5.612 3.368 3.529 1.00 0.00 N ATOM 258 CA LEU A 17 -4.918 4.662 3.386 1.00 0.00 C ATOM 259 C LEU A 17 -5.612 5.637 2.413 1.00 0.00 C ATOM 260 O LEU A 17 -5.532 6.854 2.603 1.00 0.00 O ATOM 261 CB LEU A 17 -3.465 4.475 2.929 1.00 0.00 C ATOM 262 CG LEU A 17 -2.591 3.739 3.950 1.00 0.00 C ATOM 263 CD1 LEU A 17 -2.738 2.232 3.872 1.00 0.00 C ATOM 264 CD2 LEU A 17 -1.135 4.156 3.783 1.00 0.00 C ATOM 0 H LEU A 17 -5.181 2.615 2.993 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.950 5.102 4.383 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.457 3.922 1.990 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.028 5.453 2.727 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.937 4.027 4.943 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.096 1.765 4.618 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.775 1.957 4.063 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.449 1.889 2.879 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.520 3.629 4.512 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.798 3.907 2.777 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.044 5.231 3.941 1.00 0.00 H new ATOM 276 N GLY A 18 -6.273 5.120 1.374 1.00 0.00 N ATOM 277 CA GLY A 18 -6.881 5.914 0.307 1.00 0.00 C ATOM 278 C GLY A 18 -5.972 5.965 -0.931 1.00 0.00 C ATOM 279 O GLY A 18 -5.060 6.785 -0.999 1.00 0.00 O ATOM 0 H GLY A 18 -6.402 4.116 1.250 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -7.846 5.486 0.036 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.070 6.926 0.665 1.00 0.00 H new ATOM 283 N LEU A 19 -6.261 5.084 -1.899 1.00 0.00 N ATOM 284 CA LEU A 19 -5.624 5.006 -3.210 1.00 0.00 C ATOM 285 C LEU A 19 -6.623 4.546 -4.306 1.00 0.00 C ATOM 286 O LEU A 19 -7.793 4.280 -4.032 1.00 0.00 O ATOM 287 CB LEU A 19 -4.413 4.056 -3.120 1.00 0.00 C ATOM 288 CG LEU A 19 -3.214 4.628 -2.354 1.00 0.00 C ATOM 289 CD1 LEU A 19 -2.093 3.596 -2.234 1.00 0.00 C ATOM 290 CD2 LEU A 19 -2.631 5.877 -3.039 1.00 0.00 C ATOM 0 H LEU A 19 -6.982 4.373 -1.777 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.283 6.000 -3.500 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.728 3.130 -2.638 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.094 3.798 -4.130 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.590 4.898 -1.367 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.256 4.030 -1.686 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.461 2.720 -1.700 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.761 3.302 -3.230 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.784 6.247 -2.461 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.299 5.619 -4.045 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.396 6.651 -3.097 1.00 0.00 H new ATOM 302 N SER A 20 -6.167 4.473 -5.565 1.00 0.00 N ATOM 303 CA SER A 20 -6.897 3.915 -6.732 1.00 0.00 C ATOM 304 C SER A 20 -7.218 2.413 -6.620 1.00 0.00 C ATOM 305 O SER A 20 -6.975 1.759 -5.607 1.00 0.00 O ATOM 306 CB SER A 20 -6.026 4.086 -7.999 1.00 0.00 C ATOM 307 OG SER A 20 -5.287 5.305 -8.021 1.00 0.00 O ATOM 0 H SER A 20 -5.239 4.814 -5.818 1.00 0.00 H new ATOM 0 HA SER A 20 -7.840 4.460 -6.776 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.332 3.248 -8.069 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.667 4.043 -8.879 1.00 0.00 H new ATOM 0 HG SER A 20 -4.757 5.352 -8.844 1.00 0.00 H new ATOM 313 N ILE A 21 -7.751 1.840 -7.701 1.00 0.00 N ATOM 314 CA ILE A 21 -7.900 0.390 -7.905 1.00 0.00 C ATOM 315 C ILE A 21 -6.588 -0.235 -8.456 1.00 0.00 C ATOM 316 O ILE A 21 -5.567 -0.189 -7.774 1.00 0.00 O ATOM 317 CB ILE A 21 -9.177 0.156 -8.762 1.00 0.00 C ATOM 318 CG1 ILE A 21 -9.600 -1.329 -8.742 1.00 0.00 C ATOM 319 CG2 ILE A 21 -9.088 0.768 -10.184 1.00 0.00 C ATOM 320 CD1 ILE A 21 -10.939 -1.564 -9.440 1.00 0.00 C ATOM 0 H ILE A 21 -8.104 2.387 -8.487 1.00 0.00 H new ATOM 0 HA ILE A 21 -8.053 -0.140 -6.965 1.00 0.00 H new ATOM 0 HB ILE A 21 -9.986 0.713 -8.289 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -8.830 -1.929 -9.227 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -9.667 -1.671 -7.709 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -10.012 0.567 -10.725 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -8.939 1.845 -10.108 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -8.250 0.323 -10.720 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -11.190 -2.624 -9.398 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -11.716 -0.987 -8.940 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -10.867 -1.249 -10.481 1.00 0.00 H new ATOM 332 N GLU A 22 -6.573 -0.797 -9.675 1.00 0.00 N ATOM 333 CA GLU A 22 -5.441 -1.521 -10.299 1.00 0.00 C ATOM 334 C GLU A 22 -4.119 -0.770 -10.243 1.00 0.00 C ATOM 335 O GLU A 22 -3.103 -1.370 -9.898 1.00 0.00 O ATOM 336 CB GLU A 22 -5.752 -1.871 -11.769 1.00 0.00 C ATOM 337 CG GLU A 22 -5.907 -3.376 -11.979 1.00 0.00 C ATOM 338 CD GLU A 22 -6.316 -3.676 -13.416 1.00 0.00 C ATOM 339 OE1 GLU A 22 -5.510 -3.419 -14.338 1.00 0.00 O ATOM 340 OE2 GLU A 22 -7.440 -4.185 -13.620 1.00 0.00 O ATOM 0 H GLU A 22 -7.388 -0.760 -10.287 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.325 -2.428 -9.705 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.668 -1.366 -12.076 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.952 -1.496 -12.408 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.968 -3.880 -11.749 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.656 -3.770 -11.292 1.00 0.00 H new ATOM 347 N GLU A 23 -4.146 0.539 -10.506 1.00 0.00 N ATOM 348 CA GLU A 23 -2.959 1.405 -10.400 1.00 0.00 C ATOM 349 C GLU A 23 -2.413 1.468 -8.977 1.00 0.00 C ATOM 350 O GLU A 23 -1.207 1.347 -8.804 1.00 0.00 O ATOM 351 CB GLU A 23 -3.239 2.821 -10.919 1.00 0.00 C ATOM 352 CG GLU A 23 -1.965 3.557 -11.341 1.00 0.00 C ATOM 353 CD GLU A 23 -1.364 2.948 -12.606 1.00 0.00 C ATOM 354 OE1 GLU A 23 -1.971 3.108 -13.690 1.00 0.00 O ATOM 355 OE2 GLU A 23 -0.274 2.342 -12.520 1.00 0.00 O ATOM 0 H GLU A 23 -4.989 1.033 -10.799 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.197 0.950 -11.032 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -3.920 2.764 -11.769 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.745 3.395 -10.143 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.191 4.609 -11.514 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.235 3.516 -10.533 1.00 0.00 H new ATOM 362 N ALA A 24 -3.268 1.566 -7.953 1.00 0.00 N ATOM 363 CA ALA A 24 -2.837 1.416 -6.560 1.00 0.00 C ATOM 364 C ALA A 24 -2.193 0.062 -6.300 1.00 0.00 C ATOM 365 O ALA A 24 -1.190 0.030 -5.605 1.00 0.00 O ATOM 366 CB ALA A 24 -3.984 1.568 -5.568 1.00 0.00 C ATOM 0 H ALA A 24 -4.265 1.749 -8.064 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.112 2.216 -6.410 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.606 1.447 -4.553 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.428 2.558 -5.674 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.740 0.808 -5.766 1.00 0.00 H new ATOM 372 N THR A 25 -2.724 -1.043 -6.834 1.00 0.00 N ATOM 373 CA THR A 25 -2.150 -2.377 -6.599 1.00 0.00 C ATOM 374 C THR A 25 -0.731 -2.493 -7.177 1.00 0.00 C ATOM 375 O THR A 25 0.228 -2.807 -6.469 1.00 0.00 O ATOM 376 CB THR A 25 -3.055 -3.516 -7.128 1.00 0.00 C ATOM 377 OG1 THR A 25 -2.959 -3.777 -8.511 1.00 0.00 O ATOM 378 CG2 THR A 25 -4.541 -3.292 -6.830 1.00 0.00 C ATOM 0 H THR A 25 -3.550 -1.042 -7.432 1.00 0.00 H new ATOM 0 HA THR A 25 -2.087 -2.495 -5.517 1.00 0.00 H new ATOM 0 HB THR A 25 -2.664 -4.374 -6.581 1.00 0.00 H new ATOM 0 HG1 THR A 25 -3.026 -2.935 -9.008 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.121 -4.125 -7.227 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.690 -3.226 -5.752 1.00 0.00 H new ATOM 0 HG23 THR A 25 -4.870 -2.365 -7.299 1.00 0.00 H new ATOM 386 N GLU A 26 -0.564 -2.146 -8.457 1.00 0.00 N ATOM 387 CA GLU A 26 0.740 -2.116 -9.131 1.00 0.00 C ATOM 388 C GLU A 26 1.729 -1.168 -8.462 1.00 0.00 C ATOM 389 O GLU A 26 2.888 -1.538 -8.294 1.00 0.00 O ATOM 390 CB GLU A 26 0.575 -1.741 -10.612 1.00 0.00 C ATOM 391 CG GLU A 26 1.288 -2.758 -11.495 1.00 0.00 C ATOM 392 CD GLU A 26 1.231 -2.310 -12.949 1.00 0.00 C ATOM 393 OE1 GLU A 26 2.087 -1.492 -13.352 1.00 0.00 O ATOM 394 OE2 GLU A 26 0.347 -2.797 -13.690 1.00 0.00 O ATOM 0 H GLU A 26 -1.339 -1.875 -9.062 1.00 0.00 H new ATOM 0 HA GLU A 26 1.153 -3.122 -9.053 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.483 -1.704 -10.869 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.982 -0.745 -10.790 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.326 -2.864 -11.178 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.821 -3.737 -11.388 1.00 0.00 H new ATOM 401 N PHE A 27 1.268 0.009 -8.031 1.00 0.00 N ATOM 402 CA PHE A 27 2.060 0.999 -7.296 1.00 0.00 C ATOM 403 C PHE A 27 2.531 0.471 -5.936 1.00 0.00 C ATOM 404 O PHE A 27 3.702 0.589 -5.608 1.00 0.00 O ATOM 405 CB PHE A 27 1.246 2.285 -7.088 1.00 0.00 C ATOM 406 CG PHE A 27 2.061 3.459 -6.580 1.00 0.00 C ATOM 407 CD1 PHE A 27 2.819 4.189 -7.515 1.00 0.00 C ATOM 408 CD2 PHE A 27 2.065 3.846 -5.217 1.00 0.00 C ATOM 409 CE1 PHE A 27 3.558 5.308 -7.107 1.00 0.00 C ATOM 410 CE2 PHE A 27 2.795 4.978 -4.818 1.00 0.00 C ATOM 411 CZ PHE A 27 3.533 5.711 -5.761 1.00 0.00 C ATOM 0 H PHE A 27 0.306 0.308 -8.188 1.00 0.00 H new ATOM 0 HA PHE A 27 2.943 1.211 -7.899 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.778 2.563 -8.033 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.441 2.082 -6.381 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.831 3.885 -8.551 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.510 3.274 -4.489 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.146 5.860 -7.826 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.788 5.285 -3.783 1.00 0.00 H new ATOM 0 HZ PHE A 27 4.083 6.587 -5.451 1.00 0.00 H new ATOM 421 N TYR A 28 1.634 -0.148 -5.169 1.00 0.00 N ATOM 422 CA TYR A 28 1.921 -0.813 -3.894 1.00 0.00 C ATOM 423 C TYR A 28 3.139 -1.733 -4.000 1.00 0.00 C ATOM 424 O TYR A 28 4.101 -1.520 -3.265 1.00 0.00 O ATOM 425 CB TYR A 28 0.658 -1.541 -3.393 1.00 0.00 C ATOM 426 CG TYR A 28 0.779 -2.988 -2.944 1.00 0.00 C ATOM 427 CD1 TYR A 28 1.589 -3.326 -1.851 1.00 0.00 C ATOM 428 CD2 TYR A 28 0.093 -4.012 -3.631 1.00 0.00 C ATOM 429 CE1 TYR A 28 1.837 -4.679 -1.569 1.00 0.00 C ATOM 430 CE2 TYR A 28 0.341 -5.365 -3.338 1.00 0.00 C ATOM 431 CZ TYR A 28 1.270 -5.694 -2.349 1.00 0.00 C ATOM 432 OH TYR A 28 1.608 -6.993 -2.130 1.00 0.00 O ATOM 0 H TYR A 28 0.649 -0.203 -5.427 1.00 0.00 H new ATOM 0 HA TYR A 28 2.186 -0.062 -3.150 1.00 0.00 H new ATOM 0 HB2 TYR A 28 0.256 -0.968 -2.557 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -0.083 -1.504 -4.191 1.00 0.00 H new ATOM 0 HD1 TYR A 28 2.018 -2.553 -1.231 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -0.630 -3.754 -4.390 1.00 0.00 H new ATOM 0 HE1 TYR A 28 2.475 -4.941 -0.738 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -0.183 -6.143 -3.874 1.00 0.00 H new ATOM 0 HH TYR A 28 1.123 -7.568 -2.758 1.00 0.00 H new ATOM 442 N GLU A 29 3.129 -2.680 -4.948 1.00 0.00 N ATOM 443 CA GLU A 29 4.251 -3.609 -5.194 1.00 0.00 C ATOM 444 C GLU A 29 5.513 -2.918 -5.729 1.00 0.00 C ATOM 445 O GLU A 29 6.618 -3.187 -5.259 1.00 0.00 O ATOM 446 CB GLU A 29 3.833 -4.740 -6.146 1.00 0.00 C ATOM 447 CG GLU A 29 2.956 -5.785 -5.453 1.00 0.00 C ATOM 448 CD GLU A 29 3.373 -7.193 -5.861 1.00 0.00 C ATOM 449 OE1 GLU A 29 2.855 -7.697 -6.882 1.00 0.00 O ATOM 450 OE2 GLU A 29 4.219 -7.787 -5.158 1.00 0.00 O ATOM 0 H GLU A 29 2.337 -2.828 -5.574 1.00 0.00 H new ATOM 0 HA GLU A 29 4.506 -4.026 -4.220 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.292 -4.318 -6.993 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.724 -5.224 -6.546 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.037 -5.675 -4.372 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.910 -5.620 -5.713 1.00 0.00 H new ATOM 457 N ASN A 30 5.357 -2.012 -6.698 1.00 0.00 N ATOM 458 CA ASN A 30 6.465 -1.253 -7.304 1.00 0.00 C ATOM 459 C ASN A 30 7.177 -0.267 -6.345 1.00 0.00 C ATOM 460 O ASN A 30 8.359 0.035 -6.527 1.00 0.00 O ATOM 461 CB ASN A 30 5.966 -0.462 -8.521 1.00 0.00 C ATOM 462 CG ASN A 30 6.191 -1.227 -9.809 1.00 0.00 C ATOM 463 OD1 ASN A 30 7.138 -0.972 -10.545 1.00 0.00 O ATOM 464 ND2 ASN A 30 5.358 -2.205 -10.105 1.00 0.00 N ATOM 0 H ASN A 30 4.446 -1.778 -7.092 1.00 0.00 H new ATOM 0 HA ASN A 30 7.198 -2.009 -7.586 1.00 0.00 H new ATOM 0 HB2 ASN A 30 4.904 -0.246 -8.405 1.00 0.00 H new ATOM 0 HB3 ASN A 30 6.483 0.496 -8.570 1.00 0.00 H new ATOM 0 HD21 ASN A 30 5.499 -2.756 -10.952 1.00 0.00 H new ATOM 0 HD22 ASN A 30 4.573 -2.411 -9.487 1.00 0.00 H new ATOM 471 N ASP A 31 6.448 0.209 -5.340 1.00 0.00 N ATOM 472 CA ASP A 31 6.991 1.022 -4.256 1.00 0.00 C ATOM 473 C ASP A 31 7.664 0.045 -3.261 1.00 0.00 C ATOM 474 O ASP A 31 8.897 -0.011 -3.178 1.00 0.00 O ATOM 475 CB ASP A 31 5.862 1.892 -3.648 1.00 0.00 C ATOM 476 CG ASP A 31 6.395 3.020 -2.737 1.00 0.00 C ATOM 477 OD1 ASP A 31 7.227 2.718 -1.849 1.00 0.00 O ATOM 478 OD2 ASP A 31 5.962 4.187 -2.904 1.00 0.00 O ATOM 0 H ASP A 31 5.446 0.038 -5.254 1.00 0.00 H new ATOM 0 HA ASP A 31 7.747 1.733 -4.588 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.274 2.331 -4.454 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.189 1.255 -3.073 1.00 0.00 H new ATOM 483 N VAL A 32 6.833 -0.769 -2.639 1.00 0.00 N ATOM 484 CA VAL A 32 7.231 -1.794 -1.626 1.00 0.00 C ATOM 485 C VAL A 32 6.144 -2.838 -1.249 1.00 0.00 C ATOM 486 O VAL A 32 5.673 -3.588 -2.093 1.00 0.00 O ATOM 487 CB VAL A 32 7.796 -1.041 -0.403 1.00 0.00 C ATOM 488 CG1 VAL A 32 6.660 -0.231 0.247 1.00 0.00 C ATOM 489 CG2 VAL A 32 8.602 -1.947 0.544 1.00 0.00 C ATOM 0 H VAL A 32 5.828 -0.755 -2.812 1.00 0.00 H new ATOM 0 HA VAL A 32 7.991 -2.430 -2.079 1.00 0.00 H new ATOM 0 HB VAL A 32 8.552 -0.324 -0.723 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.046 0.306 1.113 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.262 0.482 -0.475 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.866 -0.907 0.564 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.972 -1.358 1.383 1.00 0.00 H new ATOM 0 HG22 VAL A 32 7.961 -2.746 0.916 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.445 -2.379 0.004 1.00 0.00 H new ATOM 499 N THR A 33 5.798 -2.965 0.044 1.00 0.00 N ATOM 500 CA THR A 33 4.894 -3.948 0.626 1.00 0.00 C ATOM 501 C THR A 33 3.698 -3.392 1.410 1.00 0.00 C ATOM 502 O THR A 33 2.640 -4.008 1.397 1.00 0.00 O ATOM 503 CB THR A 33 5.676 -4.717 1.704 1.00 0.00 C ATOM 504 OG1 THR A 33 6.316 -3.817 2.589 1.00 0.00 O ATOM 505 CG2 THR A 33 6.769 -5.608 1.117 1.00 0.00 C ATOM 0 H THR A 33 6.174 -2.335 0.752 1.00 0.00 H new ATOM 0 HA THR A 33 4.526 -4.514 -0.230 1.00 0.00 H new ATOM 0 HB THR A 33 4.939 -5.335 2.218 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.808 -4.322 3.270 1.00 0.00 H new ATOM 0 HG21 THR A 33 7.288 -6.126 1.923 1.00 0.00 H new ATOM 0 HG22 THR A 33 6.320 -6.340 0.445 1.00 0.00 H new ATOM 0 HG23 THR A 33 7.480 -4.995 0.563 1.00 0.00 H new ATOM 513 N TYR A 34 3.836 -2.268 2.126 1.00 0.00 N ATOM 514 CA TYR A 34 2.823 -1.584 2.945 1.00 0.00 C ATOM 515 C TYR A 34 3.490 -0.427 3.732 1.00 0.00 C ATOM 516 O TYR A 34 3.445 0.725 3.310 1.00 0.00 O ATOM 517 CB TYR A 34 2.028 -2.508 3.876 1.00 0.00 C ATOM 518 CG TYR A 34 1.012 -1.738 4.691 1.00 0.00 C ATOM 519 CD1 TYR A 34 -0.187 -1.314 4.097 1.00 0.00 C ATOM 520 CD2 TYR A 34 1.295 -1.382 6.018 1.00 0.00 C ATOM 521 CE1 TYR A 34 -1.102 -0.553 4.842 1.00 0.00 C ATOM 522 CE2 TYR A 34 0.395 -0.590 6.753 1.00 0.00 C ATOM 523 CZ TYR A 34 -0.802 -0.167 6.159 1.00 0.00 C ATOM 524 OH TYR A 34 -1.684 0.584 6.875 1.00 0.00 O ATOM 0 H TYR A 34 4.728 -1.774 2.150 1.00 0.00 H new ATOM 0 HA TYR A 34 2.080 -1.187 2.254 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.519 -3.270 3.286 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.713 -3.028 4.545 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -0.405 -1.572 3.071 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.212 -1.719 6.479 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -2.043 -0.262 4.399 1.00 0.00 H new ATOM 0 HE2 TYR A 34 0.625 -0.309 7.770 1.00 0.00 H new ATOM 0 HH TYR A 34 -1.317 0.759 7.767 1.00 0.00 H new ATOM 534 N GLU A 35 4.178 -0.754 4.837 1.00 0.00 N ATOM 535 CA GLU A 35 4.716 0.248 5.800 1.00 0.00 C ATOM 536 C GLU A 35 5.708 1.233 5.183 1.00 0.00 C ATOM 537 O GLU A 35 5.671 2.418 5.496 1.00 0.00 O ATOM 538 CB GLU A 35 5.400 -0.394 7.014 1.00 0.00 C ATOM 539 CG GLU A 35 4.443 -1.229 7.861 1.00 0.00 C ATOM 540 CD GLU A 35 5.090 -1.594 9.189 1.00 0.00 C ATOM 541 OE1 GLU A 35 5.972 -2.482 9.199 1.00 0.00 O ATOM 542 OE2 GLU A 35 4.699 -1.008 10.223 1.00 0.00 O ATOM 0 H GLU A 35 4.383 -1.719 5.098 1.00 0.00 H new ATOM 0 HA GLU A 35 3.824 0.790 6.114 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.220 -1.026 6.671 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.838 0.388 7.634 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.523 -0.671 8.038 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.167 -2.136 7.322 1.00 0.00 H new ATOM 549 N ARG A 36 6.558 0.759 4.270 1.00 0.00 N ATOM 550 CA ARG A 36 7.478 1.635 3.527 1.00 0.00 C ATOM 551 C ARG A 36 6.708 2.645 2.638 1.00 0.00 C ATOM 552 O ARG A 36 6.991 3.841 2.689 1.00 0.00 O ATOM 553 CB ARG A 36 8.475 0.818 2.681 1.00 0.00 C ATOM 554 CG ARG A 36 9.952 0.825 3.113 1.00 0.00 C ATOM 555 CD ARG A 36 10.893 0.801 1.886 1.00 0.00 C ATOM 556 NE ARG A 36 11.852 -0.320 1.917 1.00 0.00 N ATOM 557 CZ ARG A 36 13.090 -0.302 2.384 1.00 0.00 C ATOM 558 NH1 ARG A 36 13.602 0.751 2.959 1.00 0.00 N ATOM 559 NH2 ARG A 36 13.843 -1.362 2.274 1.00 0.00 N ATOM 0 H ARG A 36 6.631 -0.228 4.024 1.00 0.00 H new ATOM 0 HA ARG A 36 8.046 2.201 4.265 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.134 -0.217 2.668 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.424 1.184 1.656 1.00 0.00 H new ATOM 0 HG2 ARG A 36 10.154 1.713 3.712 1.00 0.00 H new ATOM 0 HG3 ARG A 36 10.153 -0.040 3.746 1.00 0.00 H new ATOM 0 HD2 ARG A 36 10.295 0.735 0.977 1.00 0.00 H new ATOM 0 HD3 ARG A 36 11.443 1.741 1.838 1.00 0.00 H new ATOM 0 HE ARG A 36 11.524 -1.208 1.536 1.00 0.00 H new ATOM 0 HH11 ARG A 36 13.044 1.599 3.061 1.00 0.00 H new ATOM 0 HH12 ARG A 36 14.561 0.727 3.307 1.00 0.00 H new ATOM 0 HH21 ARG A 36 13.477 -2.203 1.828 1.00 0.00 H new ATOM 0 HH22 ARG A 36 14.797 -1.349 2.634 1.00 0.00 H new ATOM 573 N TYR A 37 5.731 2.196 1.831 1.00 0.00 N ATOM 574 CA TYR A 37 5.043 3.089 0.888 1.00 0.00 C ATOM 575 C TYR A 37 4.184 4.090 1.650 1.00 0.00 C ATOM 576 O TYR A 37 4.182 5.257 1.286 1.00 0.00 O ATOM 577 CB TYR A 37 4.221 2.373 -0.205 1.00 0.00 C ATOM 578 CG TYR A 37 2.753 2.172 0.092 1.00 0.00 C ATOM 579 CD1 TYR A 37 1.878 3.272 0.005 1.00 0.00 C ATOM 580 CD2 TYR A 37 2.275 0.929 0.536 1.00 0.00 C ATOM 581 CE1 TYR A 37 0.555 3.152 0.445 1.00 0.00 C ATOM 582 CE2 TYR A 37 0.949 0.826 0.989 1.00 0.00 C ATOM 583 CZ TYR A 37 0.102 1.931 0.937 1.00 0.00 C ATOM 584 OH TYR A 37 -1.174 1.816 1.356 1.00 0.00 O ATOM 0 H TYR A 37 5.404 1.230 1.814 1.00 0.00 H new ATOM 0 HA TYR A 37 5.831 3.609 0.344 1.00 0.00 H new ATOM 0 HB2 TYR A 37 4.309 2.944 -1.130 1.00 0.00 H new ATOM 0 HB3 TYR A 37 4.671 1.397 -0.389 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.228 4.209 -0.402 1.00 0.00 H new ATOM 0 HD2 TYR A 37 2.919 0.062 0.529 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.111 4.001 0.403 1.00 0.00 H new ATOM 0 HE2 TYR A 37 0.585 -0.113 1.379 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.742 2.433 0.848 1.00 0.00 H new ATOM 594 N LEU A 38 3.497 3.662 2.716 1.00 0.00 N ATOM 595 CA LEU A 38 2.771 4.533 3.641 1.00 0.00 C ATOM 596 C LEU A 38 3.659 5.714 4.060 1.00 0.00 C ATOM 597 O LEU A 38 3.321 6.862 3.800 1.00 0.00 O ATOM 598 CB LEU A 38 2.305 3.646 4.819 1.00 0.00 C ATOM 599 CG LEU A 38 1.591 4.340 6.004 1.00 0.00 C ATOM 600 CD1 LEU A 38 0.784 3.316 6.822 1.00 0.00 C ATOM 601 CD2 LEU A 38 2.545 5.050 6.971 1.00 0.00 C ATOM 0 H LEU A 38 3.431 2.675 2.963 1.00 0.00 H new ATOM 0 HA LEU A 38 1.892 4.988 3.184 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.633 2.886 4.421 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.178 3.125 5.212 1.00 0.00 H new ATOM 0 HG LEU A 38 0.946 5.090 5.546 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.289 3.822 7.651 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.035 2.849 6.183 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.456 2.552 7.213 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.971 5.512 7.774 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.241 4.325 7.393 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.102 5.818 6.434 1.00 0.00 H new ATOM 613 N GLU A 39 4.821 5.385 4.628 1.00 0.00 N ATOM 614 CA GLU A 39 5.832 6.364 5.100 1.00 0.00 C ATOM 615 C GLU A 39 6.222 7.380 4.006 1.00 0.00 C ATOM 616 O GLU A 39 6.338 8.576 4.279 1.00 0.00 O ATOM 617 CB GLU A 39 7.079 5.680 5.678 1.00 0.00 C ATOM 618 CG GLU A 39 6.809 4.924 6.983 1.00 0.00 C ATOM 619 CD GLU A 39 6.991 5.818 8.203 1.00 0.00 C ATOM 620 OE1 GLU A 39 6.095 6.642 8.490 1.00 0.00 O ATOM 621 OE2 GLU A 39 8.026 5.672 8.893 1.00 0.00 O ATOM 0 H GLU A 39 5.101 4.416 4.781 1.00 0.00 H new ATOM 0 HA GLU A 39 5.355 6.919 5.908 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.478 4.984 4.940 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.848 6.432 5.855 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.793 4.529 6.970 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.483 4.070 7.054 1.00 0.00 H new ATOM 628 N ILE A 40 6.333 6.932 2.752 1.00 0.00 N ATOM 629 CA ILE A 40 6.662 7.760 1.572 1.00 0.00 C ATOM 630 C ILE A 40 5.457 8.584 1.038 1.00 0.00 C ATOM 631 O ILE A 40 5.621 9.734 0.626 1.00 0.00 O ATOM 632 CB ILE A 40 7.255 6.842 0.469 1.00 0.00 C ATOM 633 CG1 ILE A 40 8.581 6.178 0.928 1.00 0.00 C ATOM 634 CG2 ILE A 40 7.529 7.610 -0.840 1.00 0.00 C ATOM 635 CD1 ILE A 40 8.968 4.944 0.098 1.00 0.00 C ATOM 0 H ILE A 40 6.193 5.950 2.515 1.00 0.00 H new ATOM 0 HA ILE A 40 7.399 8.503 1.878 1.00 0.00 H new ATOM 0 HB ILE A 40 6.502 6.075 0.287 1.00 0.00 H new ATOM 0 HG12 ILE A 40 9.385 6.912 0.870 1.00 0.00 H new ATOM 0 HG13 ILE A 40 8.490 5.888 1.975 1.00 0.00 H new ATOM 0 HG21 ILE A 40 7.943 6.928 -1.582 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.597 8.033 -1.216 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.241 8.413 -0.649 1.00 0.00 H new ATOM 0 HD11 ILE A 40 9.904 4.531 0.474 1.00 0.00 H new ATOM 0 HD12 ILE A 40 8.183 4.192 0.176 1.00 0.00 H new ATOM 0 HD13 ILE A 40 9.092 5.232 -0.946 1.00 0.00 H new ATOM 647 N LEU A 41 4.235 8.047 1.069 1.00 0.00 N ATOM 648 CA LEU A 41 3.000 8.715 0.636 1.00 0.00 C ATOM 649 C LEU A 41 2.579 9.817 1.633 1.00 0.00 C ATOM 650 O LEU A 41 2.265 10.935 1.232 1.00 0.00 O ATOM 651 CB LEU A 41 1.866 7.675 0.461 1.00 0.00 C ATOM 652 CG LEU A 41 1.636 7.105 -0.959 1.00 0.00 C ATOM 653 CD1 LEU A 41 0.329 6.310 -0.963 1.00 0.00 C ATOM 654 CD2 LEU A 41 1.489 8.188 -2.033 1.00 0.00 C ATOM 0 H LEU A 41 4.070 7.100 1.409 1.00 0.00 H new ATOM 0 HA LEU A 41 3.191 9.194 -0.324 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.069 6.839 1.131 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.935 8.132 0.795 1.00 0.00 H new ATOM 0 HG LEU A 41 2.511 6.499 -1.193 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.154 5.902 -1.959 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.397 5.494 -0.243 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.497 6.967 -0.690 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.330 7.719 -3.004 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.637 8.824 -1.794 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.395 8.793 -2.066 1.00 0.00 H new ATOM 666 N LYS A 42 2.621 9.517 2.934 1.00 0.00 N ATOM 667 CA LYS A 42 2.467 10.476 4.046 1.00 0.00 C ATOM 668 C LYS A 42 3.530 11.604 4.017 1.00 0.00 C ATOM 669 O LYS A 42 3.247 12.749 4.379 1.00 0.00 O ATOM 670 CB LYS A 42 2.544 9.700 5.380 1.00 0.00 C ATOM 671 CG LYS A 42 1.315 9.843 6.290 1.00 0.00 C ATOM 672 CD LYS A 42 1.640 10.684 7.532 1.00 0.00 C ATOM 673 CE LYS A 42 0.408 10.841 8.432 1.00 0.00 C ATOM 674 NZ LYS A 42 0.238 9.706 9.368 1.00 0.00 N ATOM 0 H LYS A 42 2.769 8.562 3.261 1.00 0.00 H new ATOM 0 HA LYS A 42 1.499 10.965 3.941 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.692 8.643 5.159 1.00 0.00 H new ATOM 0 HB3 LYS A 42 3.424 10.037 5.928 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.500 10.308 5.735 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.969 8.856 6.596 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.446 10.212 8.093 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.998 11.667 7.226 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.494 11.767 9.001 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -0.483 10.931 7.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -0.608 9.862 9.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 0.128 8.824 8.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 1.074 9.634 9.982 1.00 0.00 H new ATOM 688 N SER A 43 4.737 11.259 3.554 1.00 0.00 N ATOM 689 CA SER A 43 5.779 12.259 3.244 1.00 0.00 C ATOM 690 C SER A 43 5.314 13.216 2.117 1.00 0.00 C ATOM 691 O SER A 43 5.366 14.435 2.281 1.00 0.00 O ATOM 692 CB SER A 43 7.140 11.629 2.924 1.00 0.00 C ATOM 693 OG SER A 43 7.714 11.054 4.084 1.00 0.00 O ATOM 0 H SER A 43 5.022 10.294 3.384 1.00 0.00 H new ATOM 0 HA SER A 43 5.926 12.846 4.150 1.00 0.00 H new ATOM 0 HB2 SER A 43 7.020 10.865 2.155 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.810 12.387 2.519 1.00 0.00 H new ATOM 0 HG SER A 43 7.317 10.172 4.243 1.00 0.00 H new ATOM 699 N LYS A 44 4.775 12.654 1.028 1.00 0.00 N ATOM 700 CA LYS A 44 4.083 13.346 -0.076 1.00 0.00 C ATOM 701 C LYS A 44 5.007 14.275 -0.895 1.00 0.00 C ATOM 702 O LYS A 44 5.223 15.441 -0.553 1.00 0.00 O ATOM 703 CB LYS A 44 2.790 14.048 0.409 1.00 0.00 C ATOM 704 CG LYS A 44 1.678 13.960 -0.651 1.00 0.00 C ATOM 705 CD LYS A 44 0.447 14.793 -0.259 1.00 0.00 C ATOM 706 CE LYS A 44 -0.525 14.886 -1.443 1.00 0.00 C ATOM 707 NZ LYS A 44 -1.812 15.513 -1.072 1.00 0.00 N ATOM 0 H LYS A 44 4.810 11.645 0.882 1.00 0.00 H new ATOM 0 HA LYS A 44 3.776 12.572 -0.779 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.449 13.588 1.336 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.002 15.094 0.631 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.062 14.308 -1.610 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.385 12.919 -0.784 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.052 14.338 0.597 1.00 0.00 H new ATOM 0 HD3 LYS A 44 0.757 15.792 0.047 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -0.062 15.462 -2.245 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.711 13.886 -1.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.432 15.552 -1.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.270 14.951 -0.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -1.640 16.477 -0.723 1.00 0.00 H new ATOM 721 N GLN A 45 5.594 13.742 -1.972 1.00 0.00 N ATOM 722 CA GLN A 45 6.643 14.437 -2.749 1.00 0.00 C ATOM 723 C GLN A 45 6.653 14.113 -4.257 1.00 0.00 C ATOM 724 O GLN A 45 7.663 14.332 -4.931 1.00 0.00 O ATOM 725 CB GLN A 45 8.007 14.155 -2.083 1.00 0.00 C ATOM 726 CG GLN A 45 8.918 15.391 -2.100 1.00 0.00 C ATOM 727 CD GLN A 45 9.964 15.328 -1.010 1.00 0.00 C ATOM 728 OE1 GLN A 45 11.152 15.171 -1.261 1.00 0.00 O ATOM 729 NE2 GLN A 45 9.549 15.453 0.236 1.00 0.00 N ATOM 0 H GLN A 45 5.360 12.818 -2.335 1.00 0.00 H new ATOM 0 HA GLN A 45 6.420 15.504 -2.723 1.00 0.00 H new ATOM 0 HB2 GLN A 45 7.849 13.834 -1.053 1.00 0.00 H new ATOM 0 HB3 GLN A 45 8.501 13.333 -2.601 1.00 0.00 H new ATOM 0 HG2 GLN A 45 9.408 15.469 -3.071 1.00 0.00 H new ATOM 0 HG3 GLN A 45 8.315 16.290 -1.974 1.00 0.00 H new ATOM 0 HE21 GLN A 45 8.557 15.583 0.432 1.00 0.00 H new ATOM 0 HE22 GLN A 45 10.221 15.419 1.003 1.00 0.00 H new ATOM 738 N LYS A 46 5.527 13.611 -4.782 1.00 0.00 N ATOM 739 CA LYS A 46 5.355 13.080 -6.147 1.00 0.00 C ATOM 740 C LYS A 46 6.183 11.789 -6.400 1.00 0.00 C ATOM 741 O LYS A 46 7.168 11.509 -5.707 1.00 0.00 O ATOM 742 CB LYS A 46 5.615 14.222 -7.157 1.00 0.00 C ATOM 743 CG LYS A 46 4.819 14.187 -8.476 1.00 0.00 C ATOM 744 CD LYS A 46 5.654 13.756 -9.699 1.00 0.00 C ATOM 745 CE LYS A 46 5.282 14.515 -10.985 1.00 0.00 C ATOM 746 NZ LYS A 46 5.700 15.936 -10.950 1.00 0.00 N ATOM 0 H LYS A 46 4.664 13.560 -4.240 1.00 0.00 H new ATOM 0 HA LYS A 46 4.328 12.743 -6.285 1.00 0.00 H new ATOM 0 HB2 LYS A 46 5.404 15.168 -6.659 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.677 14.221 -7.403 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.978 13.503 -8.363 1.00 0.00 H new ATOM 0 HG3 LYS A 46 4.402 15.176 -8.664 1.00 0.00 H new ATOM 0 HD2 LYS A 46 6.711 13.915 -9.484 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.520 12.687 -9.864 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.748 14.024 -11.840 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.204 14.461 -11.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.565 16.361 -11.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.125 16.450 -10.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 6.703 15.996 -10.683 1.00 0.00 H new ATOM 760 N GLU A 47 5.760 10.962 -7.366 1.00 0.00 N ATOM 761 CA GLU A 47 6.338 9.634 -7.682 1.00 0.00 C ATOM 762 C GLU A 47 6.154 9.275 -9.158 1.00 0.00 C ATOM 763 O GLU A 47 7.095 8.702 -9.744 1.00 0.00 O ATOM 764 CB GLU A 47 5.715 8.540 -6.787 1.00 0.00 C ATOM 765 CG GLU A 47 6.713 7.894 -5.818 1.00 0.00 C ATOM 766 CD GLU A 47 7.681 6.954 -6.528 1.00 0.00 C ATOM 767 OE1 GLU A 47 7.238 5.887 -7.013 1.00 0.00 O ATOM 768 OE2 GLU A 47 8.896 7.257 -6.550 1.00 0.00 O ATOM 769 OXT GLU A 47 5.084 9.592 -9.724 1.00 0.00 O ATOM 0 H GLU A 47 4.978 11.202 -7.975 1.00 0.00 H new ATOM 0 HA GLU A 47 7.408 9.689 -7.481 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.896 8.974 -6.214 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.285 7.765 -7.422 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.277 8.674 -5.306 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.168 7.341 -5.053 1.00 0.00 H new TER 776 GLU A 47