USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 388 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 9 ASN : amide:sc= -0.858 X(o=-0.86,f=-0.51) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN :FLIP amide:sc= -0.0569 F(o=-0.9,f=-0.057) USER MOD Single : A 17 SER OG : rot 180:sc= 0.114 USER MOD Single : A 19 CYS SG : rot -3:sc= 0.324 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 152:sc= -0.0406 (180deg=-0.279) USER MOD Single : A 26 SER OG : rot 140:sc= -0.101 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl -170:sc= 0 (180deg=-0.0545) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 73:sc= -0.0735 USER MOD Single : A 46 ASN : amide:sc= -0.507 K(o=-0.51,f=-1.7) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 57 N GLY A 5 46.294 -17.487 7.556 1.00 1.00 N ATOM 58 CA GLY A 5 45.346 -18.202 8.402 1.00 1.00 C ATOM 59 C GLY A 5 44.025 -18.423 7.674 1.00 1.00 C ATOM 60 O GLY A 5 43.743 -19.522 7.198 1.00 1.00 O ATOM 0 HA2 GLY A 5 45.768 -19.163 8.697 1.00 1.00 H new ATOM 0 HA3 GLY A 5 45.171 -17.636 9.317 1.00 1.00 H new ATOM 64 N ASP A 6 43.216 -17.371 7.594 1.00 1.00 N ATOM 65 CA ASP A 6 41.926 -17.459 6.924 1.00 1.00 C ATOM 66 C ASP A 6 42.110 -17.584 5.414 1.00 1.00 C ATOM 67 O ASP A 6 41.367 -16.983 4.638 1.00 1.00 O ATOM 68 CB ASP A 6 41.089 -16.217 7.237 1.00 1.00 C ATOM 69 CG ASP A 6 39.607 -16.533 7.066 1.00 1.00 C ATOM 70 OD1 ASP A 6 39.291 -17.380 6.247 1.00 1.00 O ATOM 71 OD2 ASP A 6 38.808 -15.921 7.758 1.00 1.00 O ATOM 0 H ASP A 6 43.431 -16.453 7.983 1.00 1.00 H new ATOM 0 HA ASP A 6 41.410 -18.347 7.289 1.00 1.00 H new ATOM 0 HB2 ASP A 6 41.283 -15.884 8.257 1.00 1.00 H new ATOM 0 HB3 ASP A 6 41.374 -15.399 6.575 1.00 1.00 H new ATOM 76 N PHE A 7 43.103 -18.367 5.006 1.00 1.00 N ATOM 77 CA PHE A 7 43.373 -18.562 3.586 1.00 1.00 C ATOM 78 C PHE A 7 43.396 -17.223 2.856 1.00 1.00 C ATOM 79 O PHE A 7 43.307 -17.172 1.629 1.00 1.00 O ATOM 80 CB PHE A 7 42.302 -19.464 2.969 1.00 1.00 C ATOM 81 CG PHE A 7 42.652 -20.910 3.228 1.00 1.00 C ATOM 82 CD1 PHE A 7 42.465 -21.459 4.502 1.00 1.00 C ATOM 83 CD2 PHE A 7 43.162 -21.702 2.192 1.00 1.00 C ATOM 84 CE1 PHE A 7 42.789 -22.800 4.740 1.00 1.00 C ATOM 85 CE2 PHE A 7 43.487 -23.044 2.431 1.00 1.00 C ATOM 86 CZ PHE A 7 43.300 -23.592 3.705 1.00 1.00 C ATOM 0 H PHE A 7 43.729 -18.873 5.632 1.00 1.00 H new ATOM 0 HA PHE A 7 44.349 -19.036 3.483 1.00 1.00 H new ATOM 0 HB2 PHE A 7 41.326 -19.233 3.396 1.00 1.00 H new ATOM 0 HB3 PHE A 7 42.232 -19.282 1.897 1.00 1.00 H new ATOM 0 HD1 PHE A 7 42.071 -20.848 5.301 1.00 1.00 H new ATOM 0 HD2 PHE A 7 43.305 -21.279 1.209 1.00 1.00 H new ATOM 0 HE1 PHE A 7 42.645 -23.224 5.723 1.00 1.00 H new ATOM 0 HE2 PHE A 7 43.882 -23.655 1.633 1.00 1.00 H new ATOM 0 HZ PHE A 7 43.550 -24.626 3.890 1.00 1.00 H new ATOM 96 N ASP A 8 43.515 -16.141 3.619 1.00 1.00 N ATOM 97 CA ASP A 8 43.548 -14.806 3.033 1.00 1.00 C ATOM 98 C ASP A 8 44.490 -14.769 1.834 1.00 1.00 C ATOM 99 O ASP A 8 45.664 -15.125 1.944 1.00 1.00 O ATOM 100 CB ASP A 8 44.008 -13.788 4.078 1.00 1.00 C ATOM 101 CG ASP A 8 43.465 -12.405 3.736 1.00 1.00 C ATOM 102 OD1 ASP A 8 42.347 -12.117 4.129 1.00 1.00 O ATOM 103 OD2 ASP A 8 44.173 -11.657 3.084 1.00 1.00 O ATOM 0 H ASP A 8 43.590 -16.161 4.636 1.00 1.00 H new ATOM 0 HA ASP A 8 42.542 -14.553 2.697 1.00 1.00 H new ATOM 0 HB2 ASP A 8 43.662 -14.089 5.067 1.00 1.00 H new ATOM 0 HB3 ASP A 8 45.097 -13.761 4.116 1.00 1.00 H new ATOM 108 N ASN A 9 43.969 -14.337 0.690 1.00 1.00 N ATOM 109 CA ASN A 9 44.774 -14.258 -0.523 1.00 1.00 C ATOM 110 C ASN A 9 44.285 -13.124 -1.418 1.00 1.00 C ATOM 111 O ASN A 9 44.517 -13.131 -2.627 1.00 1.00 O ATOM 112 CB ASN A 9 44.699 -15.582 -1.286 1.00 1.00 C ATOM 113 CG ASN A 9 45.776 -15.624 -2.365 1.00 1.00 C ATOM 114 OD1 ASN A 9 46.956 -15.799 -2.060 1.00 1.00 O ATOM 115 ND2 ASN A 9 45.439 -15.471 -3.616 1.00 1.00 N ATOM 0 H ASN A 9 43.000 -14.038 0.578 1.00 1.00 H new ATOM 0 HA ASN A 9 45.808 -14.061 -0.239 1.00 1.00 H new ATOM 0 HB2 ASN A 9 44.830 -16.416 -0.597 1.00 1.00 H new ATOM 0 HB3 ASN A 9 43.714 -15.695 -1.739 1.00 1.00 H new ATOM 0 HD21 ASN A 9 46.154 -15.496 -4.343 1.00 1.00 H new ATOM 0 HD22 ASN A 9 44.461 -15.326 -3.867 1.00 1.00 H new ATOM 122 N TYR A 10 43.606 -12.153 -0.816 1.00 1.00 N ATOM 123 CA TYR A 10 43.088 -11.016 -1.570 1.00 1.00 C ATOM 124 C TYR A 10 41.973 -11.460 -2.510 1.00 1.00 C ATOM 125 O TYR A 10 40.814 -11.083 -2.336 1.00 1.00 O ATOM 126 CB TYR A 10 44.214 -10.370 -2.378 1.00 1.00 C ATOM 127 CG TYR A 10 45.523 -10.534 -1.642 1.00 1.00 C ATOM 128 CD1 TYR A 10 45.596 -10.248 -0.274 1.00 1.00 C ATOM 129 CD2 TYR A 10 46.661 -10.972 -2.329 1.00 1.00 C ATOM 130 CE1 TYR A 10 46.809 -10.400 0.409 1.00 1.00 C ATOM 131 CE2 TYR A 10 47.874 -11.124 -1.646 1.00 1.00 C ATOM 132 CZ TYR A 10 47.948 -10.838 -0.277 1.00 1.00 C ATOM 133 OH TYR A 10 49.144 -10.988 0.394 1.00 1.00 O ATOM 0 H TYR A 10 43.403 -12.129 0.183 1.00 1.00 H new ATOM 0 HA TYR A 10 42.684 -10.289 -0.865 1.00 1.00 H new ATOM 0 HB2 TYR A 10 44.279 -10.831 -3.364 1.00 1.00 H new ATOM 0 HB3 TYR A 10 44.003 -9.312 -2.534 1.00 1.00 H new ATOM 0 HD1 TYR A 10 44.717 -9.910 0.255 1.00 1.00 H new ATOM 0 HD2 TYR A 10 46.604 -11.193 -3.385 1.00 1.00 H new ATOM 0 HE1 TYR A 10 46.866 -10.179 1.465 1.00 1.00 H new ATOM 0 HE2 TYR A 10 48.753 -11.462 -2.175 1.00 1.00 H new ATOM 0 HH TYR A 10 49.832 -11.300 -0.230 1.00 1.00 H new ATOM 143 N TYR A 11 42.331 -12.264 -3.506 1.00 1.00 N ATOM 144 CA TYR A 11 41.351 -12.753 -4.470 1.00 1.00 C ATOM 145 C TYR A 11 40.773 -11.597 -5.281 1.00 1.00 C ATOM 146 O TYR A 11 40.537 -10.512 -4.750 1.00 1.00 O ATOM 147 CB TYR A 11 40.221 -13.482 -3.740 1.00 1.00 C ATOM 148 CG TYR A 11 39.929 -14.788 -4.441 1.00 1.00 C ATOM 149 CD1 TYR A 11 40.782 -15.883 -4.264 1.00 1.00 C ATOM 150 CD2 TYR A 11 38.804 -14.902 -5.266 1.00 1.00 C ATOM 151 CE1 TYR A 11 40.512 -17.093 -4.915 1.00 1.00 C ATOM 152 CE2 TYR A 11 38.532 -16.112 -5.916 1.00 1.00 C ATOM 153 CZ TYR A 11 39.386 -17.207 -5.740 1.00 1.00 C ATOM 154 OH TYR A 11 39.119 -18.400 -6.380 1.00 1.00 O ATOM 0 H TYR A 11 43.284 -12.589 -3.666 1.00 1.00 H new ATOM 0 HA TYR A 11 41.850 -13.444 -5.149 1.00 1.00 H new ATOM 0 HB2 TYR A 11 40.504 -13.668 -2.704 1.00 1.00 H new ATOM 0 HB3 TYR A 11 39.326 -12.860 -3.719 1.00 1.00 H new ATOM 0 HD1 TYR A 11 41.648 -15.795 -3.625 1.00 1.00 H new ATOM 0 HD2 TYR A 11 38.146 -14.057 -5.401 1.00 1.00 H new ATOM 0 HE1 TYR A 11 41.172 -17.938 -4.781 1.00 1.00 H new ATOM 0 HE2 TYR A 11 37.664 -16.200 -6.553 1.00 1.00 H new ATOM 0 HH TYR A 11 38.301 -18.310 -6.912 1.00 1.00 H new ATOM 164 N GLY A 12 40.548 -11.839 -6.568 1.00 1.00 N ATOM 165 CA GLY A 12 39.998 -10.810 -7.442 1.00 1.00 C ATOM 166 C GLY A 12 40.633 -9.455 -7.156 1.00 1.00 C ATOM 167 O GLY A 12 39.953 -8.428 -7.151 1.00 1.00 O ATOM 0 H GLY A 12 40.736 -12.731 -7.026 1.00 1.00 H new ATOM 0 HA2 GLY A 12 40.168 -11.083 -8.483 1.00 1.00 H new ATOM 0 HA3 GLY A 12 38.919 -10.747 -7.301 1.00 1.00 H new ATOM 171 N ALA A 13 41.940 -9.457 -6.917 1.00 1.00 N ATOM 172 CA ALA A 13 42.657 -8.220 -6.630 1.00 1.00 C ATOM 173 C ALA A 13 42.864 -7.413 -7.907 1.00 1.00 C ATOM 174 O ALA A 13 43.065 -6.199 -7.860 1.00 1.00 O ATOM 175 CB ALA A 13 44.014 -8.537 -5.998 1.00 1.00 C ATOM 0 H ALA A 13 42.521 -10.295 -6.916 1.00 1.00 H new ATOM 0 HA ALA A 13 42.062 -7.630 -5.933 1.00 1.00 H new ATOM 0 HB1 ALA A 13 44.543 -7.608 -5.787 1.00 1.00 H new ATOM 0 HB2 ALA A 13 43.863 -9.088 -5.070 1.00 1.00 H new ATOM 0 HB3 ALA A 13 44.604 -9.142 -6.687 1.00 1.00 H new ATOM 181 N ASP A 14 42.814 -8.094 -9.047 1.00 1.00 N ATOM 182 CA ASP A 14 42.997 -7.429 -10.332 1.00 1.00 C ATOM 183 C ASP A 14 41.977 -6.309 -10.506 1.00 1.00 C ATOM 184 O ASP A 14 42.192 -5.374 -11.278 1.00 1.00 O ATOM 185 CB ASP A 14 42.848 -8.440 -11.469 1.00 1.00 C ATOM 186 CG ASP A 14 43.704 -8.019 -12.659 1.00 1.00 C ATOM 187 OD1 ASP A 14 43.459 -6.949 -13.190 1.00 1.00 O ATOM 188 OD2 ASP A 14 44.592 -8.773 -13.020 1.00 1.00 O ATOM 0 H ASP A 14 42.650 -9.099 -9.108 1.00 1.00 H new ATOM 0 HA ASP A 14 43.998 -6.999 -10.358 1.00 1.00 H new ATOM 0 HB2 ASP A 14 43.148 -9.430 -11.127 1.00 1.00 H new ATOM 0 HB3 ASP A 14 41.803 -8.510 -11.769 1.00 1.00 H new ATOM 193 N ASN A 15 40.866 -6.409 -9.784 1.00 1.00 N ATOM 194 CA ASN A 15 39.819 -5.398 -9.866 1.00 1.00 C ATOM 195 C ASN A 15 40.404 -4.003 -9.674 1.00 1.00 C ATOM 196 O ASN A 15 39.944 -3.036 -10.282 1.00 1.00 O ATOM 197 CB ASN A 15 38.755 -5.659 -8.798 1.00 1.00 C ATOM 198 CG ASN A 15 37.475 -6.171 -9.451 1.00 1.00 C ATOM 199 OD1 ASN A 15 37.443 -7.291 -9.960 1.00 1.00 O ATOM 200 ND2 ASN A 15 36.413 -5.414 -9.466 1.00 1.00 N ATOM 0 H ASN A 15 40.668 -7.175 -9.140 1.00 1.00 H new ATOM 0 HA ASN A 15 39.363 -5.455 -10.854 1.00 1.00 H new ATOM 0 HB2 ASN A 15 39.123 -6.389 -8.077 1.00 1.00 H new ATOM 0 HB3 ASN A 15 38.550 -4.742 -8.246 1.00 1.00 H new ATOM 0 HD21 ASN A 15 35.553 -5.750 -9.900 1.00 1.00 H new ATOM 0 HD22 ASN A 15 36.442 -4.486 -9.043 1.00 1.00 H new ATOM 207 N GLN A 16 41.422 -3.905 -8.824 1.00 1.00 N ATOM 208 CA GLN A 16 42.063 -2.622 -8.559 1.00 1.00 C ATOM 209 C GLN A 16 43.369 -2.506 -9.336 1.00 1.00 C ATOM 210 O GLN A 16 44.373 -2.020 -8.815 1.00 1.00 O ATOM 211 CB GLN A 16 42.343 -2.478 -7.062 1.00 1.00 C ATOM 212 CG GLN A 16 41.080 -2.824 -6.270 1.00 1.00 C ATOM 213 CD GLN A 16 41.057 -2.044 -4.960 1.00 1.00 C ATOM 214 OE1 GLN A 16 42.169 -1.560 -4.479 1.00 1.00 O flip ATOM 215 NE2 GLN A 16 39.996 -1.872 -4.358 1.00 1.00 N flip ATOM 0 H GLN A 16 41.818 -4.692 -8.311 1.00 1.00 H new ATOM 0 HA GLN A 16 41.390 -1.827 -8.881 1.00 1.00 H new ATOM 0 HB2 GLN A 16 43.160 -3.137 -6.769 1.00 1.00 H new ATOM 0 HB3 GLN A 16 42.659 -1.459 -6.837 1.00 1.00 H new ATOM 0 HG2 GLN A 16 40.194 -2.587 -6.860 1.00 1.00 H new ATOM 0 HG3 GLN A 16 41.050 -3.894 -6.066 1.00 1.00 H new ATOM 0 HE21 GLN A 16 39.128 -2.251 -4.736 1.00 1.00 H new ATOM 0 HE22 GLN A 16 39.986 -1.350 -3.482 1.00 1.00 H new ATOM 224 N SER A 17 43.349 -2.956 -10.588 1.00 1.00 N ATOM 225 CA SER A 17 44.539 -2.896 -11.430 1.00 1.00 C ATOM 226 C SER A 17 44.440 -1.736 -12.414 1.00 1.00 C ATOM 227 O SER A 17 43.525 -0.916 -12.334 1.00 1.00 O ATOM 228 CB SER A 17 44.699 -4.208 -12.199 1.00 1.00 C ATOM 229 OG SER A 17 46.022 -4.294 -12.711 1.00 1.00 O ATOM 0 H SER A 17 42.529 -3.363 -11.038 1.00 1.00 H new ATOM 0 HA SER A 17 45.408 -2.741 -10.790 1.00 1.00 H new ATOM 0 HB2 SER A 17 44.495 -5.054 -11.543 1.00 1.00 H new ATOM 0 HB3 SER A 17 43.977 -4.255 -13.015 1.00 1.00 H new ATOM 0 HG SER A 17 46.128 -5.135 -13.203 1.00 1.00 H new ATOM 235 N GLU A 18 45.388 -1.673 -13.345 1.00 1.00 N ATOM 236 CA GLU A 18 45.398 -0.607 -14.340 1.00 1.00 C ATOM 237 C GLU A 18 44.104 -0.617 -15.147 1.00 1.00 C ATOM 238 O GLU A 18 44.069 -1.101 -16.278 1.00 1.00 O ATOM 239 CB GLU A 18 46.590 -0.785 -15.283 1.00 1.00 C ATOM 240 CG GLU A 18 46.691 -2.251 -15.709 1.00 1.00 C ATOM 241 CD GLU A 18 47.808 -2.943 -14.934 1.00 1.00 C ATOM 242 OE1 GLU A 18 47.937 -2.674 -13.752 1.00 1.00 O ATOM 243 OE2 GLU A 18 48.517 -3.733 -15.535 1.00 1.00 O ATOM 0 H GLU A 18 46.153 -2.342 -13.431 1.00 1.00 H new ATOM 0 HA GLU A 18 45.483 0.348 -13.822 1.00 1.00 H new ATOM 0 HB2 GLU A 18 46.472 -0.148 -16.160 1.00 1.00 H new ATOM 0 HB3 GLU A 18 47.509 -0.476 -14.786 1.00 1.00 H new ATOM 0 HG2 GLU A 18 45.743 -2.757 -15.527 1.00 1.00 H new ATOM 0 HG3 GLU A 18 46.886 -2.315 -16.779 1.00 1.00 H new ATOM 250 N CYS A 19 43.041 -0.078 -14.558 1.00 1.00 N ATOM 251 CA CYS A 19 41.749 -0.030 -15.232 1.00 1.00 C ATOM 252 C CYS A 19 40.973 1.215 -14.815 1.00 1.00 C ATOM 253 O CYS A 19 39.988 1.128 -14.083 1.00 1.00 O ATOM 254 CB CYS A 19 40.935 -1.279 -14.890 1.00 1.00 C ATOM 255 SG CYS A 19 41.779 -2.745 -15.532 1.00 1.00 S ATOM 0 H CYS A 19 43.048 0.329 -13.623 1.00 1.00 H new ATOM 0 HA CYS A 19 41.923 0.007 -16.307 1.00 1.00 H new ATOM 0 HB2 CYS A 19 40.812 -1.361 -13.810 1.00 1.00 H new ATOM 0 HB3 CYS A 19 39.936 -1.204 -15.320 1.00 1.00 H new ATOM 0 HG CYS A 19 42.841 -2.382 -16.188 1.00 1.00 H new ATOM 261 N GLU A 20 41.425 2.373 -15.287 1.00 1.00 N ATOM 262 CA GLU A 20 40.767 3.632 -14.956 1.00 1.00 C ATOM 263 C GLU A 20 40.915 3.942 -13.470 1.00 1.00 C ATOM 264 O GLU A 20 40.043 4.568 -12.867 1.00 1.00 O ATOM 265 CB GLU A 20 39.281 3.557 -15.317 1.00 1.00 C ATOM 266 CG GLU A 20 39.108 2.745 -16.602 1.00 1.00 C ATOM 267 CD GLU A 20 37.936 3.292 -17.411 1.00 1.00 C ATOM 268 OE1 GLU A 20 38.123 4.288 -18.088 1.00 1.00 O ATOM 269 OE2 GLU A 20 36.868 2.707 -17.339 1.00 1.00 O ATOM 0 H GLU A 20 42.238 2.466 -15.896 1.00 1.00 H new ATOM 0 HA GLU A 20 41.241 4.428 -15.530 1.00 1.00 H new ATOM 0 HB2 GLU A 20 38.721 3.095 -14.504 1.00 1.00 H new ATOM 0 HB3 GLU A 20 38.877 4.561 -15.451 1.00 1.00 H new ATOM 0 HG2 GLU A 20 40.022 2.788 -17.195 1.00 1.00 H new ATOM 0 HG3 GLU A 20 38.935 1.697 -16.359 1.00 1.00 H new ATOM 276 N TYR A 21 42.026 3.498 -12.888 1.00 1.00 N ATOM 277 CA TYR A 21 42.286 3.732 -11.470 1.00 1.00 C ATOM 278 C TYR A 21 43.693 4.285 -11.269 1.00 1.00 C ATOM 279 O TYR A 21 44.426 3.837 -10.387 1.00 1.00 O ATOM 280 CB TYR A 21 42.134 2.426 -10.689 1.00 1.00 C ATOM 281 CG TYR A 21 40.744 1.873 -10.897 1.00 1.00 C ATOM 282 CD1 TYR A 21 39.633 2.579 -10.421 1.00 1.00 C ATOM 283 CD2 TYR A 21 40.565 0.656 -11.566 1.00 1.00 C ATOM 284 CE1 TYR A 21 38.344 2.069 -10.613 1.00 1.00 C ATOM 285 CE2 TYR A 21 39.275 0.145 -11.757 1.00 1.00 C ATOM 286 CZ TYR A 21 38.164 0.852 -11.280 1.00 1.00 C ATOM 287 OH TYR A 21 36.894 0.349 -11.470 1.00 1.00 O ATOM 0 H TYR A 21 42.757 2.977 -13.373 1.00 1.00 H new ATOM 0 HA TYR A 21 41.564 4.461 -11.102 1.00 1.00 H new ATOM 0 HB2 TYR A 21 42.878 1.702 -11.022 1.00 1.00 H new ATOM 0 HB3 TYR A 21 42.312 2.602 -9.628 1.00 1.00 H new ATOM 0 HD1 TYR A 21 39.771 3.518 -9.905 1.00 1.00 H new ATOM 0 HD2 TYR A 21 41.422 0.111 -11.935 1.00 1.00 H new ATOM 0 HE1 TYR A 21 37.487 2.615 -10.246 1.00 1.00 H new ATOM 0 HE2 TYR A 21 39.137 -0.794 -12.272 1.00 1.00 H new ATOM 0 HH TYR A 21 36.948 -0.503 -11.951 1.00 1.00 H new ATOM 297 N THR A 22 44.063 5.260 -12.092 1.00 1.00 N ATOM 298 CA THR A 22 45.385 5.869 -11.995 1.00 1.00 C ATOM 299 C THR A 22 45.480 7.092 -12.901 1.00 1.00 C ATOM 300 O THR A 22 45.950 8.150 -12.484 1.00 1.00 O ATOM 301 CB THR A 22 46.458 4.852 -12.392 1.00 1.00 C ATOM 302 OG1 THR A 22 47.559 5.532 -12.978 1.00 1.00 O ATOM 303 CG2 THR A 22 45.875 3.859 -13.399 1.00 1.00 C ATOM 0 H THR A 22 43.471 5.644 -12.829 1.00 1.00 H new ATOM 0 HA THR A 22 45.545 6.183 -10.964 1.00 1.00 H new ATOM 0 HB THR A 22 46.793 4.313 -11.506 1.00 1.00 H new ATOM 0 HG1 THR A 22 48.247 4.882 -13.231 1.00 1.00 H new ATOM 0 HG21 THR A 22 46.640 3.135 -13.681 1.00 1.00 H new ATOM 0 HG22 THR A 22 45.031 3.337 -12.949 1.00 1.00 H new ATOM 0 HG23 THR A 22 45.539 4.396 -14.286 1.00 1.00 H new ATOM 311 N ASP A 23 45.032 6.939 -14.142 1.00 1.00 N ATOM 312 CA ASP A 23 45.071 8.038 -15.100 1.00 1.00 C ATOM 313 C ASP A 23 43.992 9.068 -14.779 1.00 1.00 C ATOM 314 O ASP A 23 43.677 9.926 -15.602 1.00 1.00 O ATOM 315 CB ASP A 23 44.863 7.503 -16.518 1.00 1.00 C ATOM 316 CG ASP A 23 46.107 6.753 -16.980 1.00 1.00 C ATOM 317 OD1 ASP A 23 46.848 6.292 -16.127 1.00 1.00 O ATOM 318 OD2 ASP A 23 46.301 6.649 -18.180 1.00 1.00 O ATOM 0 H ASP A 23 44.640 6.071 -14.507 1.00 1.00 H new ATOM 0 HA ASP A 23 46.047 8.519 -15.033 1.00 1.00 H new ATOM 0 HB2 ASP A 23 43.998 6.840 -16.542 1.00 1.00 H new ATOM 0 HB3 ASP A 23 44.651 8.327 -17.199 1.00 1.00 H new ATOM 323 N TRP A 24 43.432 8.975 -13.578 1.00 1.00 N ATOM 324 CA TRP A 24 42.389 9.904 -13.159 1.00 1.00 C ATOM 325 C TRP A 24 42.601 10.331 -11.709 1.00 1.00 C ATOM 326 O TRP A 24 41.769 11.027 -11.128 1.00 1.00 O ATOM 327 CB TRP A 24 41.015 9.247 -13.303 1.00 1.00 C ATOM 328 CG TRP A 24 40.717 8.442 -12.079 1.00 1.00 C ATOM 329 CD1 TRP A 24 41.119 7.166 -11.872 1.00 1.00 C ATOM 330 CD2 TRP A 24 39.965 8.831 -10.893 1.00 1.00 C ATOM 331 NE1 TRP A 24 40.661 6.748 -10.635 1.00 1.00 N ATOM 332 CE2 TRP A 24 39.945 7.739 -9.994 1.00 1.00 C ATOM 333 CE3 TRP A 24 39.304 10.014 -10.516 1.00 1.00 C ATOM 334 CZ2 TRP A 24 39.292 7.818 -8.763 1.00 1.00 C ATOM 335 CZ3 TRP A 24 38.647 10.097 -9.277 1.00 1.00 C ATOM 336 CH2 TRP A 24 38.640 9.001 -8.403 1.00 1.00 C ATOM 0 H TRP A 24 43.680 8.272 -12.882 1.00 1.00 H new ATOM 0 HA TRP A 24 42.438 10.787 -13.797 1.00 1.00 H new ATOM 0 HB2 TRP A 24 40.249 10.009 -13.446 1.00 1.00 H new ATOM 0 HB3 TRP A 24 40.997 8.607 -14.185 1.00 1.00 H new ATOM 0 HD1 TRP A 24 41.702 6.571 -12.560 1.00 1.00 H new ATOM 0 HE1 TRP A 24 40.832 5.821 -10.245 1.00 1.00 H new ATOM 0 HE3 TRP A 24 39.302 10.863 -11.183 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 39.290 6.971 -8.093 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 38.144 11.011 -8.996 1.00 1.00 H new ATOM 0 HH2 TRP A 24 38.132 9.070 -7.453 1.00 1.00 H new ATOM 347 N LYS A 25 43.722 9.908 -11.132 1.00 1.00 N ATOM 348 CA LYS A 25 44.034 10.253 -9.750 1.00 1.00 C ATOM 349 C LYS A 25 43.879 11.753 -9.523 1.00 1.00 C ATOM 350 O LYS A 25 44.484 12.562 -10.226 1.00 1.00 O ATOM 351 CB LYS A 25 45.466 9.830 -9.417 1.00 1.00 C ATOM 352 CG LYS A 25 45.464 8.957 -8.160 1.00 1.00 C ATOM 353 CD LYS A 25 44.782 7.622 -8.465 1.00 1.00 C ATOM 354 CE LYS A 25 45.806 6.490 -8.360 1.00 1.00 C ATOM 355 NZ LYS A 25 46.239 6.342 -6.942 1.00 1.00 N ATOM 0 H LYS A 25 44.424 9.331 -11.596 1.00 1.00 H new ATOM 0 HA LYS A 25 43.338 9.725 -9.098 1.00 1.00 H new ATOM 0 HB2 LYS A 25 45.897 9.280 -10.253 1.00 1.00 H new ATOM 0 HB3 LYS A 25 46.089 10.711 -9.260 1.00 1.00 H new ATOM 0 HG2 LYS A 25 46.486 8.786 -7.822 1.00 1.00 H new ATOM 0 HG3 LYS A 25 44.942 9.468 -7.351 1.00 1.00 H new ATOM 0 HD2 LYS A 25 43.963 7.452 -7.766 1.00 1.00 H new ATOM 0 HD3 LYS A 25 44.349 7.643 -9.465 1.00 1.00 H new ATOM 0 HE2 LYS A 25 45.371 5.557 -8.718 1.00 1.00 H new ATOM 0 HE3 LYS A 25 46.667 6.704 -8.994 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 46.525 5.357 -6.767 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 47.044 6.974 -6.757 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 45.451 6.591 -6.311 1.00 1.00 H new ATOM 369 N SER A 26 43.066 12.116 -8.536 1.00 1.00 N ATOM 370 CA SER A 26 42.840 13.523 -8.225 1.00 1.00 C ATOM 371 C SER A 26 44.131 14.178 -7.745 1.00 1.00 C ATOM 372 O SER A 26 44.642 15.102 -8.378 1.00 1.00 O ATOM 373 CB SER A 26 41.768 13.652 -7.142 1.00 1.00 C ATOM 374 OG SER A 26 41.551 12.381 -6.543 1.00 1.00 O ATOM 0 H SER A 26 42.557 11.462 -7.942 1.00 1.00 H new ATOM 0 HA SER A 26 42.504 14.027 -9.131 1.00 1.00 H new ATOM 0 HB2 SER A 26 42.082 14.374 -6.388 1.00 1.00 H new ATOM 0 HB3 SER A 26 40.840 14.026 -7.575 1.00 1.00 H new ATOM 0 HG SER A 26 41.436 12.491 -5.576 1.00 1.00 H new ATOM 380 N SER A 27 44.653 13.692 -6.624 1.00 1.00 N ATOM 381 CA SER A 27 45.886 14.238 -6.068 1.00 1.00 C ATOM 382 C SER A 27 45.616 15.560 -5.355 1.00 1.00 C ATOM 383 O SER A 27 46.516 16.148 -4.756 1.00 1.00 O ATOM 384 CB SER A 27 46.908 14.458 -7.183 1.00 1.00 C ATOM 385 OG SER A 27 48.215 14.220 -6.676 1.00 1.00 O ATOM 0 H SER A 27 44.246 12.927 -6.086 1.00 1.00 H new ATOM 0 HA SER A 27 46.283 13.524 -5.346 1.00 1.00 H new ATOM 0 HB2 SER A 27 46.702 13.789 -8.018 1.00 1.00 H new ATOM 0 HB3 SER A 27 46.833 15.476 -7.565 1.00 1.00 H new ATOM 0 HG SER A 27 48.873 14.359 -7.389 1.00 1.00 H new ATOM 391 N GLY A 28 44.372 16.020 -5.425 1.00 1.00 N ATOM 392 CA GLY A 28 43.995 17.274 -4.782 1.00 1.00 C ATOM 393 C GLY A 28 42.732 17.851 -5.411 1.00 1.00 C ATOM 394 O GLY A 28 42.592 19.068 -5.536 1.00 1.00 O ATOM 0 H GLY A 28 43.613 15.548 -5.916 1.00 1.00 H new ATOM 0 HA2 GLY A 28 43.832 17.106 -3.717 1.00 1.00 H new ATOM 0 HA3 GLY A 28 44.810 17.992 -4.870 1.00 1.00 H new ATOM 398 N ALA A 29 41.817 16.968 -5.805 1.00 1.00 N ATOM 399 CA ALA A 29 40.564 17.393 -6.421 1.00 1.00 C ATOM 400 C ALA A 29 39.378 17.008 -5.542 1.00 1.00 C ATOM 401 O ALA A 29 38.591 17.863 -5.136 1.00 1.00 O ATOM 402 CB ALA A 29 40.413 16.741 -7.797 1.00 1.00 C ATOM 0 H ALA A 29 41.920 15.958 -5.709 1.00 1.00 H new ATOM 0 HA ALA A 29 40.584 18.477 -6.532 1.00 1.00 H new ATOM 0 HB1 ALA A 29 39.476 17.063 -8.251 1.00 1.00 H new ATOM 0 HB2 ALA A 29 41.246 17.039 -8.434 1.00 1.00 H new ATOM 0 HB3 ALA A 29 40.410 15.657 -7.687 1.00 1.00 H new ATOM 408 N LEU A 30 39.257 15.715 -5.253 1.00 1.00 N ATOM 409 CA LEU A 30 38.163 15.226 -4.422 1.00 1.00 C ATOM 410 C LEU A 30 38.658 14.904 -3.016 1.00 1.00 C ATOM 411 O LEU A 30 37.869 14.583 -2.128 1.00 1.00 O ATOM 412 CB LEU A 30 37.553 13.970 -5.050 1.00 1.00 C ATOM 413 CG LEU A 30 38.579 12.834 -5.017 1.00 1.00 C ATOM 414 CD1 LEU A 30 38.212 11.834 -3.917 1.00 1.00 C ATOM 415 CD2 LEU A 30 38.589 12.120 -6.370 1.00 1.00 C ATOM 0 H LEU A 30 39.898 14.992 -5.580 1.00 1.00 H new ATOM 0 HA LEU A 30 37.405 16.006 -4.357 1.00 1.00 H new ATOM 0 HB2 LEU A 30 36.654 13.679 -4.507 1.00 1.00 H new ATOM 0 HB3 LEU A 30 37.252 14.173 -6.078 1.00 1.00 H new ATOM 0 HG LEU A 30 39.567 13.247 -4.812 1.00 1.00 H new ATOM 0 HD11 LEU A 30 38.946 11.028 -3.898 1.00 1.00 H new ATOM 0 HD12 LEU A 30 38.205 12.341 -2.952 1.00 1.00 H new ATOM 0 HD13 LEU A 30 37.223 11.420 -4.116 1.00 1.00 H new ATOM 0 HD21 LEU A 30 39.319 11.311 -6.349 1.00 1.00 H new ATOM 0 HD22 LEU A 30 37.599 11.711 -6.573 1.00 1.00 H new ATOM 0 HD23 LEU A 30 38.856 12.829 -7.154 1.00 1.00 H new ATOM 427 N ILE A 31 39.969 14.993 -2.821 1.00 1.00 N ATOM 428 CA ILE A 31 40.558 14.709 -1.519 1.00 1.00 C ATOM 429 C ILE A 31 40.180 15.783 -0.496 1.00 1.00 C ATOM 430 O ILE A 31 39.925 15.471 0.667 1.00 1.00 O ATOM 431 CB ILE A 31 42.083 14.614 -1.628 1.00 1.00 C ATOM 432 CG1 ILE A 31 42.473 14.248 -3.063 1.00 1.00 C ATOM 433 CG2 ILE A 31 42.594 13.532 -0.675 1.00 1.00 C ATOM 434 CD1 ILE A 31 43.874 13.636 -3.071 1.00 1.00 C ATOM 0 H ILE A 31 40.639 15.258 -3.543 1.00 1.00 H new ATOM 0 HA ILE A 31 40.163 13.752 -1.179 1.00 1.00 H new ATOM 0 HB ILE A 31 42.525 15.575 -1.364 1.00 1.00 H new ATOM 0 HG12 ILE A 31 41.754 13.542 -3.478 1.00 1.00 H new ATOM 0 HG13 ILE A 31 42.449 15.136 -3.695 1.00 1.00 H new ATOM 0 HG21 ILE A 31 43.679 13.463 -0.751 1.00 1.00 H new ATOM 0 HG22 ILE A 31 42.318 13.788 0.348 1.00 1.00 H new ATOM 0 HG23 ILE A 31 42.150 12.573 -0.942 1.00 1.00 H new ATOM 0 HD11 ILE A 31 44.151 13.376 -4.092 1.00 1.00 H new ATOM 0 HD12 ILE A 31 44.588 14.357 -2.674 1.00 1.00 H new ATOM 0 HD13 ILE A 31 43.882 12.738 -2.453 1.00 1.00 H new ATOM 446 N PRO A 32 40.137 17.032 -0.895 1.00 1.00 N ATOM 447 CA PRO A 32 39.782 18.147 0.017 1.00 1.00 C ATOM 448 C PRO A 32 38.273 18.369 0.079 1.00 1.00 C ATOM 449 O PRO A 32 37.802 19.345 0.663 1.00 1.00 O ATOM 450 CB PRO A 32 40.492 19.349 -0.605 1.00 1.00 C ATOM 451 CG PRO A 32 40.629 19.040 -2.065 1.00 1.00 C ATOM 452 CD PRO A 32 40.418 17.530 -2.250 1.00 1.00 C ATOM 0 HA PRO A 32 40.081 17.958 1.048 1.00 1.00 H new ATOM 0 HB2 PRO A 32 39.918 20.263 -0.452 1.00 1.00 H new ATOM 0 HB3 PRO A 32 41.468 19.505 -0.146 1.00 1.00 H new ATOM 0 HG2 PRO A 32 39.896 19.601 -2.644 1.00 1.00 H new ATOM 0 HG3 PRO A 32 41.614 19.335 -2.427 1.00 1.00 H new ATOM 0 HD2 PRO A 32 39.590 17.325 -2.929 1.00 1.00 H new ATOM 0 HD3 PRO A 32 41.303 17.054 -2.673 1.00 1.00 H new ATOM 460 N ALA A 33 37.526 17.452 -0.531 1.00 1.00 N ATOM 461 CA ALA A 33 36.070 17.543 -0.548 1.00 1.00 C ATOM 462 C ALA A 33 35.455 16.413 0.271 1.00 1.00 C ATOM 463 O ALA A 33 34.261 16.429 0.569 1.00 1.00 O ATOM 464 CB ALA A 33 35.562 17.461 -1.989 1.00 1.00 C ATOM 0 H ALA A 33 37.904 16.640 -1.019 1.00 1.00 H new ATOM 0 HA ALA A 33 35.777 18.497 -0.110 1.00 1.00 H new ATOM 0 HB1 ALA A 33 34.474 17.529 -1.996 1.00 1.00 H new ATOM 0 HB2 ALA A 33 35.981 18.283 -2.570 1.00 1.00 H new ATOM 0 HB3 ALA A 33 35.869 16.512 -2.429 1.00 1.00 H new ATOM 470 N ILE A 34 36.282 15.434 0.630 1.00 1.00 N ATOM 471 CA ILE A 34 35.817 14.293 1.413 1.00 1.00 C ATOM 472 C ILE A 34 36.675 14.115 2.661 1.00 1.00 C ATOM 473 O ILE A 34 36.187 14.234 3.784 1.00 1.00 O ATOM 474 CB ILE A 34 35.875 13.022 0.565 1.00 1.00 C ATOM 475 CG1 ILE A 34 34.930 13.163 -0.630 1.00 1.00 C ATOM 476 CG2 ILE A 34 35.450 11.822 1.413 1.00 1.00 C ATOM 477 CD1 ILE A 34 35.375 12.221 -1.752 1.00 1.00 C ATOM 0 H ILE A 34 37.274 15.408 0.392 1.00 1.00 H new ATOM 0 HA ILE A 34 34.787 14.479 1.718 1.00 1.00 H new ATOM 0 HB ILE A 34 36.893 12.870 0.207 1.00 1.00 H new ATOM 0 HG12 ILE A 34 33.909 12.929 -0.329 1.00 1.00 H new ATOM 0 HG13 ILE A 34 34.929 14.193 -0.986 1.00 1.00 H new ATOM 0 HG21 ILE A 34 35.491 10.916 0.808 1.00 1.00 H new ATOM 0 HG22 ILE A 34 36.123 11.721 2.264 1.00 1.00 H new ATOM 0 HG23 ILE A 34 34.432 11.972 1.772 1.00 1.00 H new ATOM 0 HD11 ILE A 34 34.700 12.323 -2.602 1.00 1.00 H new ATOM 0 HD12 ILE A 34 36.389 12.476 -2.061 1.00 1.00 H new ATOM 0 HD13 ILE A 34 35.353 11.192 -1.393 1.00 1.00 H new ATOM 489 N TYR A 35 37.956 13.826 2.456 1.00 1.00 N ATOM 490 CA TYR A 35 38.874 13.632 3.572 1.00 1.00 C ATOM 491 C TYR A 35 38.948 14.891 4.431 1.00 1.00 C ATOM 492 O TYR A 35 39.485 14.866 5.539 1.00 1.00 O ATOM 493 CB TYR A 35 40.268 13.287 3.046 1.00 1.00 C ATOM 494 CG TYR A 35 41.309 14.025 3.852 1.00 1.00 C ATOM 495 CD1 TYR A 35 41.644 15.343 3.523 1.00 1.00 C ATOM 496 CD2 TYR A 35 41.943 13.391 4.927 1.00 1.00 C ATOM 497 CE1 TYR A 35 42.611 16.028 4.269 1.00 1.00 C ATOM 498 CE2 TYR A 35 42.910 14.075 5.673 1.00 1.00 C ATOM 499 CZ TYR A 35 43.244 15.394 5.344 1.00 1.00 C ATOM 500 OH TYR A 35 44.197 16.068 6.080 1.00 1.00 O ATOM 0 H TYR A 35 38.380 13.722 1.534 1.00 1.00 H new ATOM 0 HA TYR A 35 38.503 12.810 4.185 1.00 1.00 H new ATOM 0 HB2 TYR A 35 40.437 12.212 3.112 1.00 1.00 H new ATOM 0 HB3 TYR A 35 40.348 13.559 1.993 1.00 1.00 H new ATOM 0 HD1 TYR A 35 41.156 15.832 2.693 1.00 1.00 H new ATOM 0 HD2 TYR A 35 41.686 12.373 5.181 1.00 1.00 H new ATOM 0 HE1 TYR A 35 42.868 17.046 4.015 1.00 1.00 H new ATOM 0 HE2 TYR A 35 43.398 13.585 6.502 1.00 1.00 H new ATOM 0 HH TYR A 35 44.536 15.484 6.790 1.00 1.00 H new ATOM 510 N MET A 36 38.404 15.988 3.914 1.00 1.00 N ATOM 511 CA MET A 36 38.415 17.250 4.645 1.00 1.00 C ATOM 512 C MET A 36 37.068 17.490 5.320 1.00 1.00 C ATOM 513 O MET A 36 37.009 17.868 6.490 1.00 1.00 O ATOM 514 CB MET A 36 38.722 18.404 3.690 1.00 1.00 C ATOM 515 CG MET A 36 38.647 19.730 4.451 1.00 1.00 C ATOM 516 SD MET A 36 39.714 20.949 3.645 1.00 1.00 S ATOM 517 CE MET A 36 38.400 21.933 2.884 1.00 1.00 C ATOM 0 H MET A 36 37.954 16.029 3.000 1.00 1.00 H new ATOM 0 HA MET A 36 39.188 17.198 5.411 1.00 1.00 H new ATOM 0 HB2 MET A 36 39.714 18.277 3.256 1.00 1.00 H new ATOM 0 HB3 MET A 36 38.011 18.406 2.864 1.00 1.00 H new ATOM 0 HG2 MET A 36 37.619 20.090 4.475 1.00 1.00 H new ATOM 0 HG3 MET A 36 38.958 19.586 5.486 1.00 1.00 H new ATOM 0 HE1 MET A 36 38.838 22.646 2.185 1.00 1.00 H new ATOM 0 HE2 MET A 36 37.715 21.274 2.350 1.00 1.00 H new ATOM 0 HE3 MET A 36 37.855 22.473 3.658 1.00 1.00 H new ATOM 527 N LEU A 37 35.990 17.268 4.576 1.00 1.00 N ATOM 528 CA LEU A 37 34.649 17.462 5.115 1.00 1.00 C ATOM 529 C LEU A 37 34.311 16.366 6.119 1.00 1.00 C ATOM 530 O LEU A 37 33.153 16.201 6.505 1.00 1.00 O ATOM 531 CB LEU A 37 33.621 17.453 3.981 1.00 1.00 C ATOM 532 CG LEU A 37 34.111 18.345 2.838 1.00 1.00 C ATOM 533 CD1 LEU A 37 33.027 18.436 1.762 1.00 1.00 C ATOM 534 CD2 LEU A 37 34.412 19.745 3.375 1.00 1.00 C ATOM 0 H LEU A 37 36.017 16.956 3.605 1.00 1.00 H new ATOM 0 HA LEU A 37 34.620 18.426 5.623 1.00 1.00 H new ATOM 0 HB2 LEU A 37 33.469 16.435 3.622 1.00 1.00 H new ATOM 0 HB3 LEU A 37 32.658 17.809 4.347 1.00 1.00 H new ATOM 0 HG LEU A 37 35.017 17.918 2.408 1.00 1.00 H new ATOM 0 HD11 LEU A 37 33.375 19.071 0.948 1.00 1.00 H new ATOM 0 HD12 LEU A 37 32.811 17.439 1.378 1.00 1.00 H new ATOM 0 HD13 LEU A 37 32.121 18.863 2.193 1.00 1.00 H new ATOM 0 HD21 LEU A 37 34.761 20.380 2.561 1.00 1.00 H new ATOM 0 HD22 LEU A 37 33.506 20.172 3.805 1.00 1.00 H new ATOM 0 HD23 LEU A 37 35.184 19.682 4.142 1.00 1.00 H new ATOM 546 N VAL A 38 35.330 15.621 6.538 1.00 1.00 N ATOM 547 CA VAL A 38 35.136 14.541 7.500 1.00 1.00 C ATOM 548 C VAL A 38 36.164 14.635 8.621 1.00 1.00 C ATOM 549 O VAL A 38 36.025 13.989 9.660 1.00 1.00 O ATOM 550 CB VAL A 38 35.263 13.187 6.799 1.00 1.00 C ATOM 551 CG1 VAL A 38 35.090 12.063 7.824 1.00 1.00 C ATOM 552 CG2 VAL A 38 34.181 13.066 5.724 1.00 1.00 C ATOM 0 H VAL A 38 36.294 15.744 6.228 1.00 1.00 H new ATOM 0 HA VAL A 38 34.138 14.634 7.928 1.00 1.00 H new ATOM 0 HB VAL A 38 36.247 13.109 6.336 1.00 1.00 H new ATOM 0 HG11 VAL A 38 35.180 11.098 7.325 1.00 1.00 H new ATOM 0 HG12 VAL A 38 35.860 12.148 8.591 1.00 1.00 H new ATOM 0 HG13 VAL A 38 34.106 12.141 8.287 1.00 1.00 H new ATOM 0 HG21 VAL A 38 34.271 12.102 5.224 1.00 1.00 H new ATOM 0 HG22 VAL A 38 33.197 13.144 6.187 1.00 1.00 H new ATOM 0 HG23 VAL A 38 34.303 13.866 4.994 1.00 1.00 H new ATOM 562 N PHE A 39 37.195 15.446 8.406 1.00 1.00 N ATOM 563 CA PHE A 39 38.238 15.620 9.409 1.00 1.00 C ATOM 564 C PHE A 39 37.658 16.247 10.671 1.00 1.00 C ATOM 565 O PHE A 39 38.145 16.008 11.776 1.00 1.00 O ATOM 566 CB PHE A 39 39.351 16.513 8.857 1.00 1.00 C ATOM 567 CG PHE A 39 39.999 17.271 9.990 1.00 1.00 C ATOM 568 CD1 PHE A 39 40.835 16.602 10.892 1.00 1.00 C ATOM 569 CD2 PHE A 39 39.763 18.643 10.140 1.00 1.00 C ATOM 570 CE1 PHE A 39 41.436 17.305 11.944 1.00 1.00 C ATOM 571 CE2 PHE A 39 40.364 19.346 11.192 1.00 1.00 C ATOM 572 CZ PHE A 39 41.200 18.677 12.094 1.00 1.00 C ATOM 0 H PHE A 39 37.330 15.989 7.553 1.00 1.00 H new ATOM 0 HA PHE A 39 38.650 14.642 9.656 1.00 1.00 H new ATOM 0 HB2 PHE A 39 40.094 15.907 8.339 1.00 1.00 H new ATOM 0 HB3 PHE A 39 38.943 17.211 8.126 1.00 1.00 H new ATOM 0 HD1 PHE A 39 41.017 15.544 10.777 1.00 1.00 H new ATOM 0 HD2 PHE A 39 39.118 19.159 9.445 1.00 1.00 H new ATOM 0 HE1 PHE A 39 42.081 16.789 12.639 1.00 1.00 H new ATOM 0 HE2 PHE A 39 40.182 20.404 11.307 1.00 1.00 H new ATOM 0 HZ PHE A 39 41.663 19.219 12.905 1.00 1.00 H new ATOM 582 N LEU A 40 36.611 17.046 10.495 1.00 1.00 N ATOM 583 CA LEU A 40 35.961 17.705 11.621 1.00 1.00 C ATOM 584 C LEU A 40 34.615 17.049 11.913 1.00 1.00 C ATOM 585 O LEU A 40 33.947 17.385 12.891 1.00 1.00 O ATOM 586 CB LEU A 40 35.751 19.188 11.308 1.00 1.00 C ATOM 587 CG LEU A 40 35.041 19.331 9.960 1.00 1.00 C ATOM 588 CD1 LEU A 40 33.829 20.251 10.117 1.00 1.00 C ATOM 589 CD2 LEU A 40 36.007 19.932 8.938 1.00 1.00 C ATOM 0 H LEU A 40 36.196 17.252 9.586 1.00 1.00 H new ATOM 0 HA LEU A 40 36.601 17.608 12.498 1.00 1.00 H new ATOM 0 HB2 LEU A 40 35.159 19.656 12.094 1.00 1.00 H new ATOM 0 HB3 LEU A 40 36.711 19.704 11.282 1.00 1.00 H new ATOM 0 HG LEU A 40 34.711 18.350 9.617 1.00 1.00 H new ATOM 0 HD11 LEU A 40 33.323 20.353 9.157 1.00 1.00 H new ATOM 0 HD12 LEU A 40 33.141 19.825 10.847 1.00 1.00 H new ATOM 0 HD13 LEU A 40 34.159 21.232 10.460 1.00 1.00 H new ATOM 0 HD21 LEU A 40 35.503 20.034 7.977 1.00 1.00 H new ATOM 0 HD22 LEU A 40 36.336 20.913 9.281 1.00 1.00 H new ATOM 0 HD23 LEU A 40 36.872 19.278 8.826 1.00 1.00 H new ATOM 601 N LEU A 41 34.224 16.111 11.056 1.00 1.00 N ATOM 602 CA LEU A 41 32.956 15.410 11.225 1.00 1.00 C ATOM 603 C LEU A 41 33.139 13.912 10.998 1.00 1.00 C ATOM 604 O LEU A 41 32.727 13.376 9.969 1.00 1.00 O ATOM 605 CB LEU A 41 31.923 15.954 10.237 1.00 1.00 C ATOM 606 CG LEU A 41 31.433 17.324 10.710 1.00 1.00 C ATOM 607 CD1 LEU A 41 31.304 18.262 9.510 1.00 1.00 C ATOM 608 CD2 LEU A 41 30.069 17.170 11.386 1.00 1.00 C ATOM 0 H LEU A 41 34.764 15.820 10.241 1.00 1.00 H new ATOM 0 HA LEU A 41 32.605 15.573 12.244 1.00 1.00 H new ATOM 0 HB2 LEU A 41 32.364 16.037 9.243 1.00 1.00 H new ATOM 0 HB3 LEU A 41 31.083 15.264 10.156 1.00 1.00 H new ATOM 0 HG LEU A 41 32.147 17.741 11.421 1.00 1.00 H new ATOM 0 HD11 LEU A 41 30.955 19.238 9.847 1.00 1.00 H new ATOM 0 HD12 LEU A 41 32.275 18.371 9.027 1.00 1.00 H new ATOM 0 HD13 LEU A 41 30.590 17.847 8.799 1.00 1.00 H new ATOM 0 HD21 LEU A 41 29.718 18.145 11.724 1.00 1.00 H new ATOM 0 HD22 LEU A 41 29.355 16.754 10.675 1.00 1.00 H new ATOM 0 HD23 LEU A 41 30.160 16.501 12.242 1.00 1.00 H new ATOM 620 N GLY A 42 33.759 13.243 11.964 1.00 1.00 N ATOM 621 CA GLY A 42 33.990 11.806 11.856 1.00 1.00 C ATOM 622 C GLY A 42 35.109 11.360 12.791 1.00 1.00 C ATOM 623 O GLY A 42 35.227 10.178 13.112 1.00 1.00 O ATOM 0 H GLY A 42 34.108 13.667 12.823 1.00 1.00 H new ATOM 0 HA2 GLY A 42 33.073 11.268 12.097 1.00 1.00 H new ATOM 0 HA3 GLY A 42 34.248 11.552 10.828 1.00 1.00 H new ATOM 627 N THR A 43 35.929 12.314 13.225 1.00 1.00 N ATOM 628 CA THR A 43 37.036 12.008 14.123 1.00 1.00 C ATOM 629 C THR A 43 37.124 13.042 15.239 1.00 1.00 C ATOM 630 O THR A 43 37.258 12.694 16.412 1.00 1.00 O ATOM 631 CB THR A 43 38.351 11.986 13.340 1.00 1.00 C ATOM 632 OG1 THR A 43 39.422 11.690 14.225 1.00 1.00 O ATOM 633 CG2 THR A 43 38.585 13.352 12.693 1.00 1.00 C ATOM 0 H THR A 43 35.848 13.298 12.971 1.00 1.00 H new ATOM 0 HA THR A 43 36.859 11.028 14.566 1.00 1.00 H new ATOM 0 HB THR A 43 38.299 11.223 12.563 1.00 1.00 H new ATOM 0 HG1 THR A 43 40.265 11.674 13.725 1.00 1.00 H new ATOM 0 HG21 THR A 43 39.522 13.335 12.136 1.00 1.00 H new ATOM 0 HG22 THR A 43 37.763 13.579 12.014 1.00 1.00 H new ATOM 0 HG23 THR A 43 38.637 14.117 13.467 1.00 1.00 H new ATOM 641 N THR A 44 37.048 14.316 14.866 1.00 1.00 N ATOM 642 CA THR A 44 37.120 15.393 15.846 1.00 1.00 C ATOM 643 C THR A 44 36.206 15.100 17.031 1.00 1.00 C ATOM 644 O THR A 44 36.503 15.483 18.164 1.00 1.00 O ATOM 645 CB THR A 44 36.710 16.718 15.198 1.00 1.00 C ATOM 646 OG1 THR A 44 37.813 17.252 14.479 1.00 1.00 O ATOM 647 CG2 THR A 44 36.277 17.707 16.281 1.00 1.00 C ATOM 0 H THR A 44 36.938 14.626 13.900 1.00 1.00 H new ATOM 0 HA THR A 44 38.147 15.466 16.203 1.00 1.00 H new ATOM 0 HB THR A 44 35.878 16.546 14.515 1.00 1.00 H new ATOM 0 HG1 THR A 44 37.957 16.728 13.664 1.00 1.00 H new ATOM 0 HG21 THR A 44 35.986 18.650 15.818 1.00 1.00 H new ATOM 0 HG22 THR A 44 35.431 17.296 16.831 1.00 1.00 H new ATOM 0 HG23 THR A 44 37.106 17.881 16.967 1.00 1.00 H new ATOM 655 N GLY A 45 35.096 14.420 16.761 1.00 1.00 N ATOM 656 CA GLY A 45 34.142 14.079 17.810 1.00 1.00 C ATOM 657 C GLY A 45 32.722 14.447 17.396 1.00 1.00 C ATOM 658 O GLY A 45 31.869 14.719 18.241 1.00 1.00 O ATOM 0 H GLY A 45 34.836 14.096 15.830 1.00 1.00 H new ATOM 0 HA2 GLY A 45 34.197 13.012 18.024 1.00 1.00 H new ATOM 0 HA3 GLY A 45 34.404 14.603 18.729 1.00 1.00 H new ATOM 662 N ASN A 46 32.476 14.455 16.091 1.00 1.00 N ATOM 663 CA ASN A 46 31.156 14.794 15.575 1.00 1.00 C ATOM 664 C ASN A 46 30.804 13.914 14.380 1.00 1.00 C ATOM 665 O ASN A 46 30.838 14.362 13.235 1.00 1.00 O ATOM 666 CB ASN A 46 31.121 16.265 15.158 1.00 1.00 C ATOM 667 CG ASN A 46 29.677 16.746 15.061 1.00 1.00 C ATOM 668 OD1 ASN A 46 28.919 16.272 14.214 1.00 1.00 O ATOM 669 ND2 ASN A 46 29.249 17.666 15.882 1.00 1.00 N ATOM 0 H ASN A 46 33.168 14.232 15.376 1.00 1.00 H new ATOM 0 HA ASN A 46 30.423 14.623 16.364 1.00 1.00 H new ATOM 0 HB2 ASN A 46 31.666 16.870 15.882 1.00 1.00 H new ATOM 0 HB3 ASN A 46 31.620 16.391 14.197 1.00 1.00 H new ATOM 0 HD21 ASN A 46 28.285 17.994 15.823 1.00 1.00 H new ATOM 0 HD22 ASN A 46 29.879 18.057 16.583 1.00 1.00 H new ATOM 676 N GLY A 47 30.465 12.659 14.657 1.00 1.00 N ATOM 677 CA GLY A 47 30.109 11.724 13.598 1.00 1.00 C ATOM 678 C GLY A 47 29.968 10.309 14.149 1.00 1.00 C ATOM 679 O GLY A 47 29.069 9.566 13.758 1.00 1.00 O ATOM 0 H GLY A 47 30.430 12.269 15.599 1.00 1.00 H new ATOM 0 HA2 GLY A 47 29.173 12.033 13.134 1.00 1.00 H new ATOM 0 HA3 GLY A 47 30.872 11.742 12.820 1.00 1.00 H new ATOM 683 N LEU A 48 30.866 9.943 15.059 1.00 1.00 N ATOM 684 CA LEU A 48 30.834 8.615 15.658 1.00 1.00 C ATOM 685 C LEU A 48 29.626 8.476 16.580 1.00 1.00 C ATOM 686 O LEU A 48 28.785 9.371 16.649 1.00 1.00 O ATOM 687 CB LEU A 48 32.121 8.373 16.453 1.00 1.00 C ATOM 688 CG LEU A 48 33.099 7.528 15.627 1.00 1.00 C ATOM 689 CD1 LEU A 48 32.559 6.103 15.468 1.00 1.00 C ATOM 690 CD2 LEU A 48 33.285 8.159 14.244 1.00 1.00 C ATOM 0 H LEU A 48 31.619 10.543 15.395 1.00 1.00 H new ATOM 0 HA LEU A 48 30.755 7.875 14.862 1.00 1.00 H new ATOM 0 HB2 LEU A 48 32.582 9.326 16.713 1.00 1.00 H new ATOM 0 HB3 LEU A 48 31.890 7.865 17.389 1.00 1.00 H new ATOM 0 HG LEU A 48 34.058 7.492 16.144 1.00 1.00 H new ATOM 0 HD11 LEU A 48 33.261 5.511 14.880 1.00 1.00 H new ATOM 0 HD12 LEU A 48 32.436 5.649 16.451 1.00 1.00 H new ATOM 0 HD13 LEU A 48 31.595 6.134 14.959 1.00 1.00 H new ATOM 0 HD21 LEU A 48 33.980 7.556 13.660 1.00 1.00 H new ATOM 0 HD22 LEU A 48 32.324 8.203 13.732 1.00 1.00 H new ATOM 0 HD23 LEU A 48 33.683 9.167 14.355 1.00 1.00 H new ATOM 702 N VAL A 49 29.548 7.346 17.282 1.00 1.00 N ATOM 703 CA VAL A 49 28.438 7.082 18.197 1.00 1.00 C ATOM 704 C VAL A 49 27.121 7.585 17.610 1.00 1.00 C ATOM 705 O VAL A 49 26.161 7.843 18.336 1.00 1.00 O ATOM 706 CB VAL A 49 28.701 7.732 19.568 1.00 1.00 C ATOM 707 CG1 VAL A 49 28.849 9.254 19.434 1.00 1.00 C ATOM 708 CG2 VAL A 49 27.538 7.422 20.514 1.00 1.00 C ATOM 0 H VAL A 49 30.240 6.599 17.235 1.00 1.00 H new ATOM 0 HA VAL A 49 28.360 6.004 18.335 1.00 1.00 H new ATOM 0 HB VAL A 49 29.629 7.324 19.968 1.00 1.00 H new ATOM 0 HG11 VAL A 49 29.034 9.689 20.416 1.00 1.00 H new ATOM 0 HG12 VAL A 49 29.685 9.481 18.773 1.00 1.00 H new ATOM 0 HG13 VAL A 49 27.933 9.673 19.018 1.00 1.00 H new ATOM 0 HG21 VAL A 49 27.725 7.883 21.484 1.00 1.00 H new ATOM 0 HG22 VAL A 49 26.613 7.820 20.096 1.00 1.00 H new ATOM 0 HG23 VAL A 49 27.446 6.343 20.636 1.00 1.00 H new ATOM 718 N LEU A 50 27.086 7.716 16.288 1.00 1.00 N ATOM 719 CA LEU A 50 25.889 8.185 15.600 1.00 1.00 C ATOM 720 C LEU A 50 25.666 7.379 14.324 1.00 1.00 C ATOM 721 O LEU A 50 24.529 7.106 13.942 1.00 1.00 O ATOM 722 CB LEU A 50 26.033 9.668 15.245 1.00 1.00 C ATOM 723 CG LEU A 50 25.692 10.527 16.465 1.00 1.00 C ATOM 724 CD1 LEU A 50 26.595 11.763 16.487 1.00 1.00 C ATOM 725 CD2 LEU A 50 24.230 10.968 16.383 1.00 1.00 C ATOM 0 H LEU A 50 27.871 7.504 15.673 1.00 1.00 H new ATOM 0 HA LEU A 50 25.034 8.053 16.263 1.00 1.00 H new ATOM 0 HB2 LEU A 50 27.051 9.876 14.915 1.00 1.00 H new ATOM 0 HB3 LEU A 50 25.372 9.919 14.415 1.00 1.00 H new ATOM 0 HG LEU A 50 25.848 9.946 17.374 1.00 1.00 H new ATOM 0 HD11 LEU A 50 26.353 12.375 17.356 1.00 1.00 H new ATOM 0 HD12 LEU A 50 27.638 11.451 16.543 1.00 1.00 H new ATOM 0 HD13 LEU A 50 26.438 12.344 15.578 1.00 1.00 H new ATOM 0 HD21 LEU A 50 23.985 11.580 17.251 1.00 1.00 H new ATOM 0 HD22 LEU A 50 24.076 11.550 15.474 1.00 1.00 H new ATOM 0 HD23 LEU A 50 23.585 10.089 16.365 1.00 1.00 H new ATOM 737 N TRP A 51 26.761 7.002 13.671 1.00 1.00 N ATOM 738 CA TRP A 51 26.676 6.227 12.440 1.00 1.00 C ATOM 739 C TRP A 51 26.953 4.754 12.719 1.00 1.00 C ATOM 740 O TRP A 51 26.232 3.875 12.248 1.00 1.00 O ATOM 741 CB TRP A 51 27.686 6.756 11.419 1.00 1.00 C ATOM 742 CG TRP A 51 28.442 5.613 10.820 1.00 1.00 C ATOM 743 CD1 TRP A 51 27.909 4.666 10.015 1.00 1.00 C ATOM 744 CD2 TRP A 51 29.854 5.281 10.964 1.00 1.00 C ATOM 745 NE1 TRP A 51 28.902 3.773 9.656 1.00 1.00 N ATOM 746 CE2 TRP A 51 30.119 4.110 10.215 1.00 1.00 C ATOM 747 CE3 TRP A 51 30.918 5.876 11.664 1.00 1.00 C ATOM 748 CZ2 TRP A 51 31.396 3.550 10.164 1.00 1.00 C ATOM 749 CZ3 TRP A 51 32.204 5.315 11.613 1.00 1.00 C ATOM 750 CH2 TRP A 51 32.442 4.154 10.865 1.00 1.00 C ATOM 0 H TRP A 51 27.711 7.219 13.972 1.00 1.00 H new ATOM 0 HA TRP A 51 25.668 6.326 12.036 1.00 1.00 H new ATOM 0 HB2 TRP A 51 27.170 7.313 10.637 1.00 1.00 H new ATOM 0 HB3 TRP A 51 28.376 7.449 11.901 1.00 1.00 H new ATOM 0 HD1 TRP A 51 26.876 4.615 9.703 1.00 1.00 H new ATOM 0 HE1 TRP A 51 28.754 2.964 9.052 1.00 1.00 H new ATOM 0 HE3 TRP A 51 30.745 6.770 12.245 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 31.574 2.655 9.586 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 33.015 5.781 12.153 1.00 1.00 H new ATOM 0 HH2 TRP A 51 33.433 3.727 10.831 1.00 1.00 H new ATOM 761 N THR A 52 28.004 4.492 13.490 1.00 1.00 N ATOM 762 CA THR A 52 28.368 3.122 13.828 1.00 1.00 C ATOM 763 C THR A 52 27.310 2.492 14.728 1.00 1.00 C ATOM 764 O THR A 52 27.307 1.280 14.947 1.00 1.00 O ATOM 765 CB THR A 52 29.724 3.104 14.538 1.00 1.00 C ATOM 766 OG1 THR A 52 30.340 1.838 14.345 1.00 1.00 O ATOM 767 CG2 THR A 52 29.526 3.355 16.033 1.00 1.00 C ATOM 0 H THR A 52 28.614 5.205 13.890 1.00 1.00 H new ATOM 0 HA THR A 52 28.433 2.544 12.906 1.00 1.00 H new ATOM 0 HB THR A 52 30.361 3.886 14.124 1.00 1.00 H new ATOM 0 HG1 THR A 52 31.209 1.825 14.798 1.00 1.00 H new ATOM 0 HG21 THR A 52 30.493 3.342 16.535 1.00 1.00 H new ATOM 0 HG22 THR A 52 29.055 4.327 16.179 1.00 1.00 H new ATOM 0 HG23 THR A 52 28.889 2.576 16.451 1.00 1.00 H new ATOM 775 N VAL A 53 26.415 3.323 15.249 1.00 1.00 N ATOM 776 CA VAL A 53 25.355 2.838 16.126 1.00 1.00 C ATOM 777 C VAL A 53 24.252 2.162 15.317 1.00 1.00 C ATOM 778 O VAL A 53 23.681 1.159 15.746 1.00 1.00 O ATOM 779 CB VAL A 53 24.763 3.999 16.925 1.00 1.00 C ATOM 780 CG1 VAL A 53 23.678 3.469 17.865 1.00 1.00 C ATOM 781 CG2 VAL A 53 25.867 4.667 17.747 1.00 1.00 C ATOM 0 H VAL A 53 26.401 4.329 15.081 1.00 1.00 H new ATOM 0 HA VAL A 53 25.786 2.108 16.811 1.00 1.00 H new ATOM 0 HB VAL A 53 24.328 4.727 16.241 1.00 1.00 H new ATOM 0 HG11 VAL A 53 23.255 4.296 18.435 1.00 1.00 H new ATOM 0 HG12 VAL A 53 22.892 2.992 17.280 1.00 1.00 H new ATOM 0 HG13 VAL A 53 24.114 2.741 18.550 1.00 1.00 H new ATOM 0 HG21 VAL A 53 25.446 5.495 18.317 1.00 1.00 H new ATOM 0 HG22 VAL A 53 26.302 3.939 18.432 1.00 1.00 H new ATOM 0 HG23 VAL A 53 26.641 5.044 17.078 1.00 1.00 H new ATOM 791 N PHE A 54 23.955 2.718 14.147 1.00 1.00 N ATOM 792 CA PHE A 54 22.917 2.158 13.290 1.00 1.00 C ATOM 793 C PHE A 54 23.406 0.877 12.622 1.00 1.00 C ATOM 794 O PHE A 54 22.855 0.446 11.608 1.00 1.00 O ATOM 795 CB PHE A 54 22.520 3.175 12.217 1.00 1.00 C ATOM 796 CG PHE A 54 21.625 4.226 12.827 1.00 1.00 C ATOM 797 CD1 PHE A 54 22.160 5.173 13.709 1.00 1.00 C ATOM 798 CD2 PHE A 54 20.260 4.254 12.514 1.00 1.00 C ATOM 799 CE1 PHE A 54 21.330 6.149 14.276 1.00 1.00 C ATOM 800 CE2 PHE A 54 19.432 5.230 13.081 1.00 1.00 C ATOM 801 CZ PHE A 54 19.967 6.177 13.962 1.00 1.00 C ATOM 0 H PHE A 54 24.414 3.549 13.773 1.00 1.00 H new ATOM 0 HA PHE A 54 22.050 1.924 13.908 1.00 1.00 H new ATOM 0 HB2 PHE A 54 23.411 3.641 11.795 1.00 1.00 H new ATOM 0 HB3 PHE A 54 22.004 2.673 11.398 1.00 1.00 H new ATOM 0 HD1 PHE A 54 23.212 5.151 13.952 1.00 1.00 H new ATOM 0 HD2 PHE A 54 19.846 3.523 11.835 1.00 1.00 H new ATOM 0 HE1 PHE A 54 21.743 6.880 14.956 1.00 1.00 H new ATOM 0 HE2 PHE A 54 18.380 5.252 12.839 1.00 1.00 H new ATOM 0 HZ PHE A 54 19.327 6.929 14.399 1.00 1.00 H new ATOM 811 N ARG A 55 24.442 0.274 13.199 1.00 1.00 N ATOM 812 CA ARG A 55 25.002 -0.959 12.656 1.00 1.00 C ATOM 813 C ARG A 55 25.155 -2.005 13.756 1.00 1.00 C ATOM 814 O ARG A 55 25.252 -3.200 13.479 1.00 1.00 O ATOM 815 CB ARG A 55 26.367 -0.677 12.024 1.00 1.00 C ATOM 816 CG ARG A 55 26.188 0.224 10.801 1.00 1.00 C ATOM 817 CD ARG A 55 27.528 0.869 10.441 1.00 1.00 C ATOM 818 NE ARG A 55 28.629 0.080 10.981 1.00 1.00 N ATOM 819 CZ ARG A 55 29.012 -1.052 10.401 1.00 1.00 C ATOM 820 NH1 ARG A 55 28.404 -1.472 9.325 1.00 1.00 N ATOM 821 NH2 ARG A 55 29.998 -1.743 10.905 1.00 1.00 N ATOM 0 H ARG A 55 24.909 0.617 14.039 1.00 1.00 H new ATOM 0 HA ARG A 55 24.322 -1.343 11.896 1.00 1.00 H new ATOM 0 HB2 ARG A 55 27.023 -0.196 12.750 1.00 1.00 H new ATOM 0 HB3 ARG A 55 26.845 -1.612 11.733 1.00 1.00 H new ATOM 0 HG2 ARG A 55 25.815 -0.358 9.959 1.00 1.00 H new ATOM 0 HG3 ARG A 55 25.446 0.995 11.009 1.00 1.00 H new ATOM 0 HD2 ARG A 55 27.623 0.946 9.358 1.00 1.00 H new ATOM 0 HD3 ARG A 55 27.570 1.883 10.837 1.00 1.00 H new ATOM 0 HE ARG A 55 29.113 0.403 11.819 1.00 1.00 H new ATOM 0 HH11 ARG A 55 27.635 -0.931 8.930 1.00 1.00 H new ATOM 0 HH12 ARG A 55 28.698 -2.341 8.879 1.00 1.00 H new ATOM 0 HH21 ARG A 55 30.475 -1.414 11.745 1.00 1.00 H new ATOM 0 HH22 ARG A 55 30.292 -2.612 10.459 1.00 1.00 H new ATOM 835 N LYS A 56 25.175 -1.544 15.004 1.00 1.00 N ATOM 836 CA LYS A 56 25.315 -2.445 16.144 1.00 1.00 C ATOM 837 C LYS A 56 23.994 -2.572 16.894 1.00 1.00 C ATOM 838 O LYS A 56 23.677 -3.631 17.435 1.00 1.00 O ATOM 839 CB LYS A 56 26.398 -1.923 17.092 1.00 1.00 C ATOM 840 CG LYS A 56 26.022 -0.522 17.577 1.00 1.00 C ATOM 841 CD LYS A 56 25.585 -0.586 19.043 1.00 1.00 C ATOM 842 CE LYS A 56 26.807 -0.818 19.934 1.00 1.00 C ATOM 843 NZ LYS A 56 26.513 -1.911 20.905 1.00 1.00 N ATOM 0 H LYS A 56 25.096 -0.557 15.251 1.00 1.00 H new ATOM 0 HA LYS A 56 25.602 -3.429 15.773 1.00 1.00 H new ATOM 0 HB2 LYS A 56 26.507 -2.596 17.942 1.00 1.00 H new ATOM 0 HB3 LYS A 56 27.361 -1.896 16.581 1.00 1.00 H new ATOM 0 HG2 LYS A 56 26.872 0.151 17.470 1.00 1.00 H new ATOM 0 HG3 LYS A 56 25.216 -0.118 16.964 1.00 1.00 H new ATOM 0 HD2 LYS A 56 25.088 0.342 19.325 1.00 1.00 H new ATOM 0 HD3 LYS A 56 24.863 -1.390 19.183 1.00 1.00 H new ATOM 0 HE2 LYS A 56 27.671 -1.082 19.324 1.00 1.00 H new ATOM 0 HE3 LYS A 56 27.061 0.098 20.467 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 27.343 -2.069 21.511 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 25.700 -1.642 21.495 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 26.291 -2.785 20.387 1.00 1.00 H new