USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=13 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= -2.51! C(o=-2.5!,f=-12!) 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=-0.29) USER MOD Single : A 16 GLN : amide:sc= -0.129 X(o=-0.13,f=-0.0043) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 180:sc= -0.877 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+ -155:sc= -0.0197 (180deg=-0.312) USER MOD Single : A 26 SER OG : rot 54:sc= 0.674 USER MOD Single : A 27 SER OG : rot 180:sc= -2.1! USER MOD Single : A 35 TYR OH : rot -58:sc= 0.0512 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 75:sc= -0.115 USER MOD Single : A 46 ASN : amide:sc= -0.552 X(o=-0.55,f=-0.21) 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 36.499 -6.855 22.778 1.00 1.00 N ATOM 58 CA GLY A 5 37.195 -7.324 21.586 1.00 1.00 C ATOM 59 C GLY A 5 38.697 -7.090 21.705 1.00 1.00 C ATOM 60 O GLY A 5 39.140 -5.982 22.007 1.00 1.00 O ATOM 0 HA2 GLY A 5 36.999 -8.386 21.440 1.00 1.00 H new ATOM 0 HA3 GLY A 5 36.811 -6.805 20.708 1.00 1.00 H new ATOM 64 N ASP A 6 39.476 -8.141 21.464 1.00 1.00 N ATOM 65 CA ASP A 6 40.928 -8.038 21.547 1.00 1.00 C ATOM 66 C ASP A 6 41.445 -6.966 20.592 1.00 1.00 C ATOM 67 O ASP A 6 42.639 -6.670 20.564 1.00 1.00 O ATOM 68 CB ASP A 6 41.567 -9.383 21.200 1.00 1.00 C ATOM 69 CG ASP A 6 42.244 -9.973 22.434 1.00 1.00 C ATOM 70 OD1 ASP A 6 41.590 -10.055 23.460 1.00 1.00 O ATOM 71 OD2 ASP A 6 43.405 -10.332 22.334 1.00 1.00 O ATOM 0 H ASP A 6 39.129 -9.066 21.212 1.00 1.00 H new ATOM 0 HA ASP A 6 41.196 -7.760 22.566 1.00 1.00 H new ATOM 0 HB2 ASP A 6 40.807 -10.071 20.828 1.00 1.00 H new ATOM 0 HB3 ASP A 6 42.298 -9.253 20.402 1.00 1.00 H new ATOM 76 N PHE A 7 40.537 -6.388 19.813 1.00 1.00 N ATOM 77 CA PHE A 7 40.912 -5.350 18.860 1.00 1.00 C ATOM 78 C PHE A 7 41.530 -4.156 19.583 1.00 1.00 C ATOM 79 O PHE A 7 42.488 -3.553 19.100 1.00 1.00 O ATOM 80 CB PHE A 7 39.682 -4.892 18.075 1.00 1.00 C ATOM 81 CG PHE A 7 39.997 -3.604 17.350 1.00 1.00 C ATOM 82 CD1 PHE A 7 40.568 -3.641 16.073 1.00 1.00 C ATOM 83 CD2 PHE A 7 39.718 -2.374 17.957 1.00 1.00 C ATOM 84 CE1 PHE A 7 40.859 -2.449 15.402 1.00 1.00 C ATOM 85 CE2 PHE A 7 40.010 -1.181 17.286 1.00 1.00 C ATOM 86 CZ PHE A 7 40.581 -1.217 16.009 1.00 1.00 C ATOM 0 H PHE A 7 39.543 -6.618 19.822 1.00 1.00 H new ATOM 0 HA PHE A 7 41.648 -5.765 18.172 1.00 1.00 H new ATOM 0 HB2 PHE A 7 39.386 -5.661 17.361 1.00 1.00 H new ATOM 0 HB3 PHE A 7 38.840 -4.744 18.751 1.00 1.00 H new ATOM 0 HD1 PHE A 7 40.784 -4.590 15.605 1.00 1.00 H new ATOM 0 HD2 PHE A 7 39.278 -2.346 18.943 1.00 1.00 H new ATOM 0 HE1 PHE A 7 41.298 -2.478 14.416 1.00 1.00 H new ATOM 0 HE2 PHE A 7 39.794 -0.232 17.754 1.00 1.00 H new ATOM 0 HZ PHE A 7 40.807 -0.296 15.492 1.00 1.00 H new ATOM 96 N ASP A 8 40.974 -3.821 20.743 1.00 1.00 N ATOM 97 CA ASP A 8 41.477 -2.698 21.523 1.00 1.00 C ATOM 98 C ASP A 8 42.792 -3.063 22.206 1.00 1.00 C ATOM 99 O ASP A 8 43.146 -2.489 23.237 1.00 1.00 O ATOM 100 CB ASP A 8 40.446 -2.294 22.579 1.00 1.00 C ATOM 101 CG ASP A 8 40.462 -0.781 22.770 1.00 1.00 C ATOM 102 OD1 ASP A 8 41.532 -0.245 23.008 1.00 1.00 O ATOM 103 OD2 ASP A 8 39.405 -0.180 22.675 1.00 1.00 O ATOM 0 H ASP A 8 40.181 -4.308 21.161 1.00 1.00 H new ATOM 0 HA ASP A 8 41.654 -1.861 20.847 1.00 1.00 H new ATOM 0 HB2 ASP A 8 39.452 -2.620 22.272 1.00 1.00 H new ATOM 0 HB3 ASP A 8 40.667 -2.791 23.524 1.00 1.00 H new ATOM 108 N ASN A 9 43.510 -4.019 21.627 1.00 1.00 N ATOM 109 CA ASN A 9 44.784 -4.450 22.190 1.00 1.00 C ATOM 110 C ASN A 9 45.768 -3.284 22.245 1.00 1.00 C ATOM 111 O ASN A 9 46.703 -3.286 23.046 1.00 1.00 O ATOM 112 CB ASN A 9 45.375 -5.578 21.342 1.00 1.00 C ATOM 113 CG ASN A 9 45.334 -5.198 19.867 1.00 1.00 C ATOM 114 OD1 ASN A 9 44.819 -4.138 19.511 1.00 1.00 O ATOM 115 ND2 ASN A 9 45.851 -6.004 18.980 1.00 1.00 N ATOM 0 H ASN A 9 43.234 -4.507 20.775 1.00 1.00 H new ATOM 0 HA ASN A 9 44.608 -4.811 23.203 1.00 1.00 H new ATOM 0 HB2 ASN A 9 46.403 -5.773 21.647 1.00 1.00 H new ATOM 0 HB3 ASN A 9 44.814 -6.498 21.505 1.00 1.00 H new ATOM 0 HD21 ASN A 9 45.829 -5.756 17.991 1.00 1.00 H new ATOM 0 HD22 ASN A 9 46.277 -6.882 19.276 1.00 1.00 H new ATOM 122 N TYR A 10 45.550 -2.292 21.390 1.00 1.00 N ATOM 123 CA TYR A 10 46.423 -1.125 21.350 1.00 1.00 C ATOM 124 C TYR A 10 45.610 0.146 21.123 1.00 1.00 C ATOM 125 O TYR A 10 45.630 1.062 21.944 1.00 1.00 O ATOM 126 CB TYR A 10 47.453 -1.282 20.230 1.00 1.00 C ATOM 127 CG TYR A 10 48.475 -2.318 20.628 1.00 1.00 C ATOM 128 CD1 TYR A 10 49.445 -2.012 21.591 1.00 1.00 C ATOM 129 CD2 TYR A 10 48.455 -3.586 20.034 1.00 1.00 C ATOM 130 CE1 TYR A 10 50.393 -2.974 21.959 1.00 1.00 C ATOM 131 CE2 TYR A 10 49.403 -4.548 20.403 1.00 1.00 C ATOM 132 CZ TYR A 10 50.373 -4.242 21.366 1.00 1.00 C ATOM 133 OH TYR A 10 51.307 -5.189 21.730 1.00 1.00 O ATOM 0 H TYR A 10 44.782 -2.272 20.719 1.00 1.00 H new ATOM 0 HA TYR A 10 46.937 -1.046 22.308 1.00 1.00 H new ATOM 0 HB2 TYR A 10 46.958 -1.580 19.306 1.00 1.00 H new ATOM 0 HB3 TYR A 10 47.943 -0.328 20.036 1.00 1.00 H new ATOM 0 HD1 TYR A 10 49.462 -1.034 22.049 1.00 1.00 H new ATOM 0 HD2 TYR A 10 47.708 -3.822 19.291 1.00 1.00 H new ATOM 0 HE1 TYR A 10 51.141 -2.738 22.701 1.00 1.00 H new ATOM 0 HE2 TYR A 10 49.386 -5.526 19.945 1.00 1.00 H new ATOM 0 HH TYR A 10 51.151 -6.014 21.224 1.00 1.00 H new ATOM 143 N TYR A 11 44.897 0.194 20.003 1.00 1.00 N ATOM 144 CA TYR A 11 44.080 1.357 19.677 1.00 1.00 C ATOM 145 C TYR A 11 44.954 2.594 19.506 1.00 1.00 C ATOM 146 O TYR A 11 45.884 2.822 20.281 1.00 1.00 O ATOM 147 CB TYR A 11 43.056 1.603 20.787 1.00 1.00 C ATOM 148 CG TYR A 11 41.939 2.471 20.259 1.00 1.00 C ATOM 149 CD1 TYR A 11 42.050 3.866 20.315 1.00 1.00 C ATOM 150 CD2 TYR A 11 40.793 1.881 19.713 1.00 1.00 C ATOM 151 CE1 TYR A 11 41.014 4.671 19.825 1.00 1.00 C ATOM 152 CE2 TYR A 11 39.757 2.686 19.223 1.00 1.00 C ATOM 153 CZ TYR A 11 39.868 4.081 19.279 1.00 1.00 C ATOM 154 OH TYR A 11 38.847 4.873 18.795 1.00 1.00 O ATOM 0 H TYR A 11 44.868 -0.554 19.310 1.00 1.00 H new ATOM 0 HA TYR A 11 43.560 1.161 18.739 1.00 1.00 H new ATOM 0 HB2 TYR A 11 42.656 0.654 21.144 1.00 1.00 H new ATOM 0 HB3 TYR A 11 43.536 2.087 21.638 1.00 1.00 H new ATOM 0 HD1 TYR A 11 42.934 4.321 20.736 1.00 1.00 H new ATOM 0 HD2 TYR A 11 40.708 0.805 19.670 1.00 1.00 H new ATOM 0 HE1 TYR A 11 41.099 5.747 19.868 1.00 1.00 H new ATOM 0 HE2 TYR A 11 38.873 2.231 18.802 1.00 1.00 H new ATOM 0 HH TYR A 11 38.127 4.304 18.450 1.00 1.00 H new ATOM 164 N GLY A 12 44.652 3.391 18.486 1.00 1.00 N ATOM 165 CA GLY A 12 45.417 4.603 18.222 1.00 1.00 C ATOM 166 C GLY A 12 46.900 4.286 18.061 1.00 1.00 C ATOM 167 O GLY A 12 47.759 5.103 18.393 1.00 1.00 O ATOM 0 H GLY A 12 43.888 3.220 17.833 1.00 1.00 H new ATOM 0 HA2 GLY A 12 45.044 5.084 17.318 1.00 1.00 H new ATOM 0 HA3 GLY A 12 45.279 5.310 19.040 1.00 1.00 H new ATOM 171 N ALA A 13 47.194 3.096 17.548 1.00 1.00 N ATOM 172 CA ALA A 13 48.578 2.682 17.348 1.00 1.00 C ATOM 173 C ALA A 13 49.115 3.230 16.029 1.00 1.00 C ATOM 174 O ALA A 13 50.258 3.679 15.952 1.00 1.00 O ATOM 175 CB ALA A 13 48.670 1.155 17.344 1.00 1.00 C ATOM 0 H ALA A 13 46.498 2.406 17.265 1.00 1.00 H new ATOM 0 HA ALA A 13 49.179 3.080 18.165 1.00 1.00 H new ATOM 0 HB1 ALA A 13 49.707 0.853 17.194 1.00 1.00 H new ATOM 0 HB2 ALA A 13 48.313 0.767 18.298 1.00 1.00 H new ATOM 0 HB3 ALA A 13 48.056 0.756 16.537 1.00 1.00 H new ATOM 181 N ASP A 14 48.281 3.190 14.995 1.00 1.00 N ATOM 182 CA ASP A 14 48.684 3.686 13.684 1.00 1.00 C ATOM 183 C ASP A 14 49.106 5.148 13.770 1.00 1.00 C ATOM 184 O ASP A 14 49.578 5.728 12.792 1.00 1.00 O ATOM 185 CB ASP A 14 47.526 3.544 12.694 1.00 1.00 C ATOM 186 CG ASP A 14 47.031 2.101 12.673 1.00 1.00 C ATOM 187 OD1 ASP A 14 47.864 1.212 12.626 1.00 1.00 O ATOM 188 OD2 ASP A 14 45.827 1.910 12.705 1.00 1.00 O ATOM 0 H ASP A 14 47.330 2.823 15.038 1.00 1.00 H new ATOM 0 HA ASP A 14 49.532 3.095 13.338 1.00 1.00 H new ATOM 0 HB2 ASP A 14 46.712 4.212 12.976 1.00 1.00 H new ATOM 0 HB3 ASP A 14 47.851 3.840 11.697 1.00 1.00 H new ATOM 193 N ASN A 15 48.932 5.741 14.947 1.00 1.00 N ATOM 194 CA ASN A 15 49.299 7.138 15.150 1.00 1.00 C ATOM 195 C ASN A 15 50.764 7.365 14.793 1.00 1.00 C ATOM 196 O ASN A 15 51.118 8.385 14.202 1.00 1.00 O ATOM 197 CB ASN A 15 49.060 7.534 16.607 1.00 1.00 C ATOM 198 CG ASN A 15 47.616 7.989 16.794 1.00 1.00 C ATOM 199 OD1 ASN A 15 46.687 7.291 16.389 1.00 1.00 O ATOM 200 ND2 ASN A 15 47.371 9.126 17.388 1.00 1.00 N ATOM 0 H ASN A 15 48.542 5.280 15.769 1.00 1.00 H new ATOM 0 HA ASN A 15 48.679 7.755 14.500 1.00 1.00 H new ATOM 0 HB2 ASN A 15 49.271 6.688 17.262 1.00 1.00 H new ATOM 0 HB3 ASN A 15 49.742 8.335 16.891 1.00 1.00 H new ATOM 0 HD21 ASN A 15 46.408 9.437 17.517 1.00 1.00 H new ATOM 0 HD22 ASN A 15 48.143 9.703 17.723 1.00 1.00 H new ATOM 207 N GLN A 16 51.612 6.406 15.155 1.00 1.00 N ATOM 208 CA GLN A 16 53.037 6.513 14.867 1.00 1.00 C ATOM 209 C GLN A 16 53.394 5.708 13.621 1.00 1.00 C ATOM 210 O GLN A 16 54.415 5.022 13.585 1.00 1.00 O ATOM 211 CB GLN A 16 53.850 6.000 16.057 1.00 1.00 C ATOM 212 CG GLN A 16 53.109 6.320 17.357 1.00 1.00 C ATOM 213 CD GLN A 16 54.096 6.389 18.517 1.00 1.00 C ATOM 214 OE1 GLN A 16 53.964 5.648 19.491 1.00 1.00 O ATOM 215 NE2 GLN A 16 55.084 7.241 18.471 1.00 1.00 N ATOM 0 H GLN A 16 51.339 5.553 15.644 1.00 1.00 H new ATOM 0 HA GLN A 16 53.275 7.562 14.689 1.00 1.00 H new ATOM 0 HB2 GLN A 16 54.004 4.925 15.969 1.00 1.00 H new ATOM 0 HB3 GLN A 16 54.836 6.464 16.064 1.00 1.00 H new ATOM 0 HG2 GLN A 16 52.582 7.269 17.260 1.00 1.00 H new ATOM 0 HG3 GLN A 16 52.357 5.556 17.554 1.00 1.00 H new ATOM 0 HE21 GLN A 16 55.192 7.854 17.663 1.00 1.00 H new ATOM 0 HE22 GLN A 16 55.748 7.294 19.243 1.00 1.00 H new ATOM 224 N SER A 17 52.545 5.797 12.603 1.00 1.00 N ATOM 225 CA SER A 17 52.781 5.072 11.359 1.00 1.00 C ATOM 226 C SER A 17 52.063 5.753 10.198 1.00 1.00 C ATOM 227 O SER A 17 51.612 6.892 10.316 1.00 1.00 O ATOM 228 CB SER A 17 52.288 3.632 11.492 1.00 1.00 C ATOM 229 OG SER A 17 53.327 2.742 11.107 1.00 1.00 O ATOM 0 H SER A 17 51.694 6.359 12.613 1.00 1.00 H new ATOM 0 HA SER A 17 53.852 5.071 11.159 1.00 1.00 H new ATOM 0 HB2 SER A 17 51.985 3.433 12.520 1.00 1.00 H new ATOM 0 HB3 SER A 17 51.410 3.477 10.865 1.00 1.00 H new ATOM 0 HG SER A 17 53.014 1.817 11.193 1.00 1.00 H new ATOM 235 N GLU A 18 51.960 5.046 9.077 1.00 1.00 N ATOM 236 CA GLU A 18 51.294 5.592 7.900 1.00 1.00 C ATOM 237 C GLU A 18 49.909 6.116 8.263 1.00 1.00 C ATOM 238 O GLU A 18 48.918 5.391 8.181 1.00 1.00 O ATOM 239 CB GLU A 18 51.166 4.512 6.824 1.00 1.00 C ATOM 240 CG GLU A 18 50.750 3.191 7.473 1.00 1.00 C ATOM 241 CD GLU A 18 49.794 2.437 6.556 1.00 1.00 C ATOM 242 OE1 GLU A 18 50.089 2.338 5.376 1.00 1.00 O ATOM 243 OE2 GLU A 18 48.778 1.970 7.046 1.00 1.00 O ATOM 0 H GLU A 18 52.326 4.101 8.959 1.00 1.00 H new ATOM 0 HA GLU A 18 51.894 6.417 7.517 1.00 1.00 H new ATOM 0 HB2 GLU A 18 50.429 4.811 6.079 1.00 1.00 H new ATOM 0 HB3 GLU A 18 52.115 4.390 6.302 1.00 1.00 H new ATOM 0 HG2 GLU A 18 51.631 2.582 7.673 1.00 1.00 H new ATOM 0 HG3 GLU A 18 50.270 3.383 8.433 1.00 1.00 H new ATOM 250 N CYS A 19 49.848 7.382 8.666 1.00 1.00 N ATOM 251 CA CYS A 19 48.578 7.994 9.040 1.00 1.00 C ATOM 252 C CYS A 19 48.050 8.867 7.907 1.00 1.00 C ATOM 253 O CYS A 19 46.880 8.776 7.533 1.00 1.00 O ATOM 254 CB CYS A 19 48.759 8.843 10.299 1.00 1.00 C ATOM 255 SG CYS A 19 47.189 9.643 10.719 1.00 1.00 S ATOM 0 H CYS A 19 50.656 7.999 8.741 1.00 1.00 H new ATOM 0 HA CYS A 19 47.858 7.200 9.238 1.00 1.00 H new ATOM 0 HB2 CYS A 19 49.094 8.218 11.127 1.00 1.00 H new ATOM 0 HB3 CYS A 19 49.530 9.595 10.135 1.00 1.00 H new ATOM 0 HG CYS A 19 47.342 10.363 11.790 1.00 1.00 H new ATOM 261 N GLU A 20 48.919 9.714 7.363 1.00 1.00 N ATOM 262 CA GLU A 20 48.528 10.599 6.272 1.00 1.00 C ATOM 263 C GLU A 20 49.672 10.758 5.275 1.00 1.00 C ATOM 264 O GLU A 20 50.089 11.874 4.968 1.00 1.00 O ATOM 265 CB GLU A 20 48.138 11.970 6.827 1.00 1.00 C ATOM 266 CG GLU A 20 46.981 11.811 7.815 1.00 1.00 C ATOM 267 CD GLU A 20 46.245 13.138 7.975 1.00 1.00 C ATOM 268 OE1 GLU A 20 46.905 14.164 7.953 1.00 1.00 O ATOM 269 OE2 GLU A 20 45.035 13.108 8.117 1.00 1.00 O ATOM 0 H GLU A 20 49.891 9.806 7.657 1.00 1.00 H new ATOM 0 HA GLU A 20 47.673 10.158 5.759 1.00 1.00 H new ATOM 0 HB2 GLU A 20 48.993 12.430 7.323 1.00 1.00 H new ATOM 0 HB3 GLU A 20 47.846 12.634 6.013 1.00 1.00 H new ATOM 0 HG2 GLU A 20 46.292 11.044 7.461 1.00 1.00 H new ATOM 0 HG3 GLU A 20 47.360 11.477 8.781 1.00 1.00 H new ATOM 276 N TYR A 21 50.174 9.633 4.774 1.00 1.00 N ATOM 277 CA TYR A 21 51.270 9.660 3.812 1.00 1.00 C ATOM 278 C TYR A 21 51.089 8.567 2.764 1.00 1.00 C ATOM 279 O TYR A 21 52.041 8.180 2.086 1.00 1.00 O ATOM 280 CB TYR A 21 52.603 9.461 4.535 1.00 1.00 C ATOM 281 CG TYR A 21 52.643 10.332 5.767 1.00 1.00 C ATOM 282 CD1 TYR A 21 52.904 11.702 5.648 1.00 1.00 C ATOM 283 CD2 TYR A 21 52.418 9.770 7.029 1.00 1.00 C ATOM 284 CE1 TYR A 21 52.941 12.510 6.791 1.00 1.00 C ATOM 285 CE2 TYR A 21 52.455 10.578 8.173 1.00 1.00 C ATOM 286 CZ TYR A 21 52.716 11.948 8.054 1.00 1.00 C ATOM 287 OH TYR A 21 52.753 12.744 9.180 1.00 1.00 O ATOM 0 H TYR A 21 49.843 8.699 5.016 1.00 1.00 H new ATOM 0 HA TYR A 21 51.268 10.629 3.313 1.00 1.00 H new ATOM 0 HB2 TYR A 21 52.725 8.414 4.813 1.00 1.00 H new ATOM 0 HB3 TYR A 21 53.430 9.713 3.871 1.00 1.00 H new ATOM 0 HD1 TYR A 21 53.077 12.136 4.674 1.00 1.00 H new ATOM 0 HD2 TYR A 21 52.216 8.713 7.121 1.00 1.00 H new ATOM 0 HE1 TYR A 21 53.143 13.567 6.699 1.00 1.00 H new ATOM 0 HE2 TYR A 21 52.282 10.144 9.147 1.00 1.00 H new ATOM 0 HH TYR A 21 52.575 12.197 9.973 1.00 1.00 H new ATOM 297 N THR A 22 49.862 8.073 2.637 1.00 1.00 N ATOM 298 CA THR A 22 49.568 7.024 1.667 1.00 1.00 C ATOM 299 C THR A 22 48.070 6.740 1.622 1.00 1.00 C ATOM 300 O THR A 22 47.514 6.452 0.562 1.00 1.00 O ATOM 301 CB THR A 22 50.321 5.745 2.037 1.00 1.00 C ATOM 302 OG1 THR A 22 49.938 4.700 1.154 1.00 1.00 O ATOM 303 CG2 THR A 22 49.985 5.349 3.475 1.00 1.00 C ATOM 0 H THR A 22 49.061 8.379 3.189 1.00 1.00 H new ATOM 0 HA THR A 22 49.891 7.364 0.683 1.00 1.00 H new ATOM 0 HB THR A 22 51.394 5.918 1.953 1.00 1.00 H new ATOM 0 HG1 THR A 22 50.421 3.880 1.389 1.00 1.00 H new ATOM 0 HG21 THR A 22 50.523 4.438 3.736 1.00 1.00 H new ATOM 0 HG22 THR A 22 50.280 6.151 4.152 1.00 1.00 H new ATOM 0 HG23 THR A 22 48.913 5.176 3.564 1.00 1.00 H new ATOM 311 N ASP A 23 47.423 6.823 2.780 1.00 1.00 N ATOM 312 CA ASP A 23 45.988 6.572 2.861 1.00 1.00 C ATOM 313 C ASP A 23 45.203 7.795 2.399 1.00 1.00 C ATOM 314 O ASP A 23 44.011 7.705 2.106 1.00 1.00 O ATOM 315 CB ASP A 23 45.599 6.228 4.300 1.00 1.00 C ATOM 316 CG ASP A 23 44.358 7.014 4.707 1.00 1.00 C ATOM 317 OD1 ASP A 23 44.511 8.146 5.134 1.00 1.00 O ATOM 318 OD2 ASP A 23 43.271 6.473 4.586 1.00 1.00 O ATOM 0 H ASP A 23 47.865 7.060 3.668 1.00 1.00 H new ATOM 0 HA ASP A 23 45.748 5.732 2.209 1.00 1.00 H new ATOM 0 HB2 ASP A 23 45.407 5.159 4.388 1.00 1.00 H new ATOM 0 HB3 ASP A 23 46.424 6.460 4.974 1.00 1.00 H new ATOM 323 N TRP A 24 45.880 8.937 2.336 1.00 1.00 N ATOM 324 CA TRP A 24 45.235 10.173 1.907 1.00 1.00 C ATOM 325 C TRP A 24 45.560 10.468 0.446 1.00 1.00 C ATOM 326 O TRP A 24 45.548 11.622 0.018 1.00 1.00 O ATOM 327 CB TRP A 24 45.704 11.337 2.781 1.00 1.00 C ATOM 328 CG TRP A 24 46.999 11.867 2.253 1.00 1.00 C ATOM 329 CD1 TRP A 24 48.210 11.296 2.449 1.00 1.00 C ATOM 330 CD2 TRP A 24 47.234 13.059 1.448 1.00 1.00 C ATOM 331 NE1 TRP A 24 49.172 12.061 1.816 1.00 1.00 N ATOM 332 CE2 TRP A 24 48.621 13.158 1.185 1.00 1.00 C ATOM 333 CE3 TRP A 24 46.387 14.053 0.926 1.00 1.00 C ATOM 334 CZ2 TRP A 24 49.148 14.207 0.430 1.00 1.00 C ATOM 335 CZ3 TRP A 24 46.914 15.110 0.167 1.00 1.00 C ATOM 336 CH2 TRP A 24 48.293 15.186 -0.080 1.00 1.00 C ATOM 0 H TRP A 24 46.867 9.033 2.574 1.00 1.00 H new ATOM 0 HA TRP A 24 44.157 10.053 2.010 1.00 1.00 H new ATOM 0 HB2 TRP A 24 44.952 12.126 2.789 1.00 1.00 H new ATOM 0 HB3 TRP A 24 45.828 11.005 3.812 1.00 1.00 H new ATOM 0 HD1 TRP A 24 48.395 10.391 3.008 1.00 1.00 H new ATOM 0 HE1 TRP A 24 50.168 11.841 1.815 1.00 1.00 H new ATOM 0 HE3 TRP A 24 45.324 14.003 1.110 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 50.210 14.261 0.242 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 46.255 15.868 -0.229 1.00 1.00 H new ATOM 0 HH2 TRP A 24 48.693 16.001 -0.664 1.00 1.00 H new ATOM 347 N LYS A 25 45.850 9.417 -0.314 1.00 1.00 N ATOM 348 CA LYS A 25 46.177 9.575 -1.727 1.00 1.00 C ATOM 349 C LYS A 25 45.228 10.570 -2.388 1.00 1.00 C ATOM 350 O LYS A 25 44.056 10.660 -2.024 1.00 1.00 O ATOM 351 CB LYS A 25 46.081 8.224 -2.439 1.00 1.00 C ATOM 352 CG LYS A 25 47.369 7.964 -3.226 1.00 1.00 C ATOM 353 CD LYS A 25 48.519 7.697 -2.253 1.00 1.00 C ATOM 354 CE LYS A 25 49.704 8.601 -2.602 1.00 1.00 C ATOM 355 NZ LYS A 25 50.171 8.294 -3.984 1.00 1.00 N ATOM 0 H LYS A 25 45.865 8.454 0.021 1.00 1.00 H new ATOM 0 HA LYS A 25 47.196 9.955 -1.805 1.00 1.00 H new ATOM 0 HB2 LYS A 25 45.921 7.429 -1.711 1.00 1.00 H new ATOM 0 HB3 LYS A 25 45.224 8.217 -3.112 1.00 1.00 H new ATOM 0 HG2 LYS A 25 47.235 7.110 -3.890 1.00 1.00 H new ATOM 0 HG3 LYS A 25 47.603 8.823 -3.855 1.00 1.00 H new ATOM 0 HD2 LYS A 25 48.194 7.884 -1.229 1.00 1.00 H new ATOM 0 HD3 LYS A 25 48.819 6.650 -2.306 1.00 1.00 H new ATOM 0 HE2 LYS A 25 49.410 9.648 -2.530 1.00 1.00 H new ATOM 0 HE3 LYS A 25 50.515 8.448 -1.890 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 51.172 8.559 -4.079 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 50.064 7.276 -4.169 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 49.604 8.832 -4.670 1.00 1.00 H new ATOM 369 N SER A 26 45.744 11.314 -3.361 1.00 1.00 N ATOM 370 CA SER A 26 44.933 12.300 -4.066 1.00 1.00 C ATOM 371 C SER A 26 44.486 11.756 -5.420 1.00 1.00 C ATOM 372 O SER A 26 45.176 11.922 -6.424 1.00 1.00 O ATOM 373 CB SER A 26 45.734 13.586 -4.270 1.00 1.00 C ATOM 374 OG SER A 26 46.961 13.276 -4.919 1.00 1.00 O ATOM 0 H SER A 26 46.712 11.254 -3.677 1.00 1.00 H new ATOM 0 HA SER A 26 44.050 12.515 -3.464 1.00 1.00 H new ATOM 0 HB2 SER A 26 45.161 14.294 -4.869 1.00 1.00 H new ATOM 0 HB3 SER A 26 45.928 14.064 -3.310 1.00 1.00 H new ATOM 0 HG SER A 26 46.778 12.781 -5.745 1.00 1.00 H new ATOM 380 N SER A 27 43.327 11.105 -5.437 1.00 1.00 N ATOM 381 CA SER A 27 42.798 10.540 -6.673 1.00 1.00 C ATOM 382 C SER A 27 42.705 11.612 -7.754 1.00 1.00 C ATOM 383 O SER A 27 42.508 11.305 -8.930 1.00 1.00 O ATOM 384 CB SER A 27 41.413 9.945 -6.423 1.00 1.00 C ATOM 385 OG SER A 27 40.513 10.982 -6.058 1.00 1.00 O ATOM 0 H SER A 27 42.740 10.956 -4.616 1.00 1.00 H new ATOM 0 HA SER A 27 43.475 9.756 -7.012 1.00 1.00 H new ATOM 0 HB2 SER A 27 41.056 9.437 -7.319 1.00 1.00 H new ATOM 0 HB3 SER A 27 41.464 9.197 -5.632 1.00 1.00 H new ATOM 0 HG SER A 27 39.624 10.602 -5.899 1.00 1.00 H new ATOM 391 N GLY A 28 42.848 12.870 -7.349 1.00 1.00 N ATOM 392 CA GLY A 28 42.778 13.979 -8.292 1.00 1.00 C ATOM 393 C GLY A 28 42.225 15.231 -7.620 1.00 1.00 C ATOM 394 O GLY A 28 41.170 15.737 -8.002 1.00 1.00 O ATOM 0 H GLY A 28 43.012 13.145 -6.381 1.00 1.00 H new ATOM 0 HA2 GLY A 28 43.771 14.185 -8.692 1.00 1.00 H new ATOM 0 HA3 GLY A 28 42.145 13.705 -9.136 1.00 1.00 H new ATOM 398 N ALA A 29 42.942 15.724 -6.616 1.00 1.00 N ATOM 399 CA ALA A 29 42.512 16.917 -5.897 1.00 1.00 C ATOM 400 C ALA A 29 41.019 16.848 -5.589 1.00 1.00 C ATOM 401 O ALA A 29 40.311 17.849 -5.682 1.00 1.00 O ATOM 402 CB ALA A 29 42.804 18.165 -6.733 1.00 1.00 C ATOM 0 H ALA A 29 43.817 15.319 -6.284 1.00 1.00 H new ATOM 0 HA ALA A 29 43.064 16.971 -4.959 1.00 1.00 H new ATOM 0 HB1 ALA A 29 42.480 19.052 -6.188 1.00 1.00 H new ATOM 0 HB2 ALA A 29 43.874 18.230 -6.928 1.00 1.00 H new ATOM 0 HB3 ALA A 29 42.266 18.103 -7.679 1.00 1.00 H new ATOM 408 N LEU A 30 40.553 15.656 -5.223 1.00 1.00 N ATOM 409 CA LEU A 30 39.142 15.457 -4.902 1.00 1.00 C ATOM 410 C LEU A 30 38.990 14.816 -3.526 1.00 1.00 C ATOM 411 O LEU A 30 37.953 14.960 -2.877 1.00 1.00 O ATOM 412 CB LEU A 30 38.489 14.562 -5.957 1.00 1.00 C ATOM 413 CG LEU A 30 37.014 14.354 -5.612 1.00 1.00 C ATOM 414 CD1 LEU A 30 36.165 14.515 -6.873 1.00 1.00 C ATOM 415 CD2 LEU A 30 36.818 12.946 -5.044 1.00 1.00 C ATOM 0 H LEU A 30 41.128 14.818 -5.142 1.00 1.00 H new ATOM 0 HA LEU A 30 38.650 16.430 -4.894 1.00 1.00 H new ATOM 0 HB2 LEU A 30 38.581 15.018 -6.943 1.00 1.00 H new ATOM 0 HB3 LEU A 30 39.002 13.601 -6.001 1.00 1.00 H new ATOM 0 HG LEU A 30 36.708 15.093 -4.872 1.00 1.00 H new ATOM 0 HD11 LEU A 30 35.114 14.366 -6.625 1.00 1.00 H new ATOM 0 HD12 LEU A 30 36.304 15.517 -7.280 1.00 1.00 H new ATOM 0 HD13 LEU A 30 36.471 13.777 -7.614 1.00 1.00 H new ATOM 0 HD21 LEU A 30 35.767 12.796 -4.798 1.00 1.00 H new ATOM 0 HD22 LEU A 30 37.126 12.209 -5.785 1.00 1.00 H new ATOM 0 HD23 LEU A 30 37.422 12.829 -4.144 1.00 1.00 H new ATOM 427 N ILE A 31 40.027 14.111 -3.086 1.00 1.00 N ATOM 428 CA ILE A 31 39.994 13.454 -1.786 1.00 1.00 C ATOM 429 C ILE A 31 39.970 14.485 -0.651 1.00 1.00 C ATOM 430 O ILE A 31 39.263 14.299 0.339 1.00 1.00 O ATOM 431 CB ILE A 31 41.200 12.503 -1.650 1.00 1.00 C ATOM 432 CG1 ILE A 31 40.721 11.063 -1.853 1.00 1.00 C ATOM 433 CG2 ILE A 31 41.850 12.621 -0.264 1.00 1.00 C ATOM 434 CD1 ILE A 31 40.047 10.938 -3.221 1.00 1.00 C ATOM 0 H ILE A 31 40.894 13.981 -3.607 1.00 1.00 H new ATOM 0 HA ILE A 31 39.079 12.867 -1.712 1.00 1.00 H new ATOM 0 HB ILE A 31 41.941 12.775 -2.402 1.00 1.00 H new ATOM 0 HG12 ILE A 31 41.564 10.375 -1.787 1.00 1.00 H new ATOM 0 HG13 ILE A 31 40.021 10.787 -1.064 1.00 1.00 H new ATOM 0 HG21 ILE A 31 42.697 11.938 -0.200 1.00 1.00 H new ATOM 0 HG22 ILE A 31 42.196 13.643 -0.110 1.00 1.00 H new ATOM 0 HG23 ILE A 31 41.119 12.366 0.503 1.00 1.00 H new ATOM 0 HD11 ILE A 31 39.706 9.913 -3.366 1.00 1.00 H new ATOM 0 HD12 ILE A 31 39.194 11.615 -3.270 1.00 1.00 H new ATOM 0 HD13 ILE A 31 40.761 11.197 -4.003 1.00 1.00 H new ATOM 446 N PRO A 32 40.719 15.556 -0.764 1.00 1.00 N ATOM 447 CA PRO A 32 40.763 16.613 0.291 1.00 1.00 C ATOM 448 C PRO A 32 39.382 17.201 0.568 1.00 1.00 C ATOM 449 O PRO A 32 39.041 17.496 1.714 1.00 1.00 O ATOM 450 CB PRO A 32 41.705 17.679 -0.280 1.00 1.00 C ATOM 451 CG PRO A 32 42.494 16.992 -1.343 1.00 1.00 C ATOM 452 CD PRO A 32 41.601 15.885 -1.896 1.00 1.00 C ATOM 0 HA PRO A 32 41.104 16.215 1.247 1.00 1.00 H new ATOM 0 HB2 PRO A 32 41.144 18.519 -0.690 1.00 1.00 H new ATOM 0 HB3 PRO A 32 42.358 18.080 0.495 1.00 1.00 H new ATOM 0 HG2 PRO A 32 42.777 17.691 -2.129 1.00 1.00 H new ATOM 0 HG3 PRO A 32 43.417 16.579 -0.936 1.00 1.00 H new ATOM 0 HD2 PRO A 32 41.033 16.223 -2.762 1.00 1.00 H new ATOM 0 HD3 PRO A 32 42.184 15.021 -2.215 1.00 1.00 H new ATOM 460 N ALA A 33 38.593 17.369 -0.488 1.00 1.00 N ATOM 461 CA ALA A 33 37.251 17.923 -0.346 1.00 1.00 C ATOM 462 C ALA A 33 36.406 17.050 0.575 1.00 1.00 C ATOM 463 O ALA A 33 35.991 17.484 1.650 1.00 1.00 O ATOM 464 CB ALA A 33 36.579 18.020 -1.717 1.00 1.00 C ATOM 0 H ALA A 33 38.856 17.132 -1.444 1.00 1.00 H new ATOM 0 HA ALA A 33 37.333 18.919 0.090 1.00 1.00 H new ATOM 0 HB1 ALA A 33 35.577 18.434 -1.603 1.00 1.00 H new ATOM 0 HB2 ALA A 33 37.168 18.668 -2.366 1.00 1.00 H new ATOM 0 HB3 ALA A 33 36.512 17.027 -2.161 1.00 1.00 H new ATOM 470 N ILE A 34 36.158 15.815 0.149 1.00 1.00 N ATOM 471 CA ILE A 34 35.362 14.888 0.946 1.00 1.00 C ATOM 472 C ILE A 34 35.950 14.745 2.345 1.00 1.00 C ATOM 473 O ILE A 34 35.218 14.652 3.331 1.00 1.00 O ATOM 474 CB ILE A 34 35.318 13.520 0.265 1.00 1.00 C ATOM 475 CG1 ILE A 34 34.465 13.610 -1.003 1.00 1.00 C ATOM 476 CG2 ILE A 34 34.703 12.493 1.219 1.00 1.00 C ATOM 477 CD1 ILE A 34 34.911 12.534 -1.996 1.00 1.00 C ATOM 0 H ILE A 34 36.494 15.435 -0.736 1.00 1.00 H new ATOM 0 HA ILE A 34 34.350 15.284 1.029 1.00 1.00 H new ATOM 0 HB ILE A 34 36.330 13.212 0.003 1.00 1.00 H new ATOM 0 HG12 ILE A 34 33.412 13.477 -0.756 1.00 1.00 H new ATOM 0 HG13 ILE A 34 34.565 14.598 -1.452 1.00 1.00 H new ATOM 0 HG21 ILE A 34 34.672 11.518 0.733 1.00 1.00 H new ATOM 0 HG22 ILE A 34 35.308 12.429 2.123 1.00 1.00 H new ATOM 0 HG23 ILE A 34 33.691 12.800 1.481 1.00 1.00 H new ATOM 0 HD11 ILE A 34 34.304 12.598 -2.899 1.00 1.00 H new ATOM 0 HD12 ILE A 34 35.959 12.687 -2.252 1.00 1.00 H new ATOM 0 HD13 ILE A 34 34.788 11.549 -1.545 1.00 1.00 H new ATOM 489 N TYR A 35 37.276 14.728 2.425 1.00 1.00 N ATOM 490 CA TYR A 35 37.954 14.595 3.710 1.00 1.00 C ATOM 491 C TYR A 35 37.794 15.869 4.533 1.00 1.00 C ATOM 492 O TYR A 35 37.697 15.820 5.759 1.00 1.00 O ATOM 493 CB TYR A 35 39.440 14.309 3.491 1.00 1.00 C ATOM 494 CG TYR A 35 40.232 14.826 4.669 1.00 1.00 C ATOM 495 CD1 TYR A 35 40.195 14.141 5.890 1.00 1.00 C ATOM 496 CD2 TYR A 35 41.001 15.988 4.540 1.00 1.00 C ATOM 497 CE1 TYR A 35 40.928 14.620 6.982 1.00 1.00 C ATOM 498 CE2 TYR A 35 41.734 16.467 5.632 1.00 1.00 C ATOM 499 CZ TYR A 35 41.698 15.782 6.853 1.00 1.00 C ATOM 500 OH TYR A 35 42.422 16.255 7.930 1.00 1.00 O ATOM 0 H TYR A 35 37.900 14.804 1.621 1.00 1.00 H new ATOM 0 HA TYR A 35 37.503 13.765 4.254 1.00 1.00 H new ATOM 0 HB2 TYR A 35 39.601 13.237 3.373 1.00 1.00 H new ATOM 0 HB3 TYR A 35 39.781 14.786 2.572 1.00 1.00 H new ATOM 0 HD1 TYR A 35 39.602 13.244 5.989 1.00 1.00 H new ATOM 0 HD2 TYR A 35 41.029 16.515 3.598 1.00 1.00 H new ATOM 0 HE1 TYR A 35 40.900 14.093 7.924 1.00 1.00 H new ATOM 0 HE2 TYR A 35 42.327 17.364 5.533 1.00 1.00 H new ATOM 0 HH TYR A 35 41.816 16.428 8.681 1.00 1.00 H new ATOM 510 N MET A 36 37.767 17.009 3.850 1.00 1.00 N ATOM 511 CA MET A 36 37.618 18.291 4.527 1.00 1.00 C ATOM 512 C MET A 36 36.251 18.387 5.198 1.00 1.00 C ATOM 513 O MET A 36 36.154 18.656 6.396 1.00 1.00 O ATOM 514 CB MET A 36 37.777 19.434 3.523 1.00 1.00 C ATOM 515 CG MET A 36 39.235 19.896 3.503 1.00 1.00 C ATOM 516 SD MET A 36 39.612 20.773 5.040 1.00 1.00 S ATOM 517 CE MET A 36 39.106 22.421 4.492 1.00 1.00 C ATOM 0 H MET A 36 37.846 17.071 2.835 1.00 1.00 H new ATOM 0 HA MET A 36 38.392 18.369 5.291 1.00 1.00 H new ATOM 0 HB2 MET A 36 37.475 19.104 2.529 1.00 1.00 H new ATOM 0 HB3 MET A 36 37.125 20.264 3.795 1.00 1.00 H new ATOM 0 HG2 MET A 36 39.898 19.038 3.390 1.00 1.00 H new ATOM 0 HG3 MET A 36 39.409 20.549 2.647 1.00 1.00 H new ATOM 0 HE1 MET A 36 39.257 23.136 5.301 1.00 1.00 H new ATOM 0 HE2 MET A 36 39.704 22.717 3.630 1.00 1.00 H new ATOM 0 HE3 MET A 36 38.052 22.404 4.214 1.00 1.00 H new ATOM 527 N LEU A 37 35.198 18.165 4.418 1.00 1.00 N ATOM 528 CA LEU A 37 33.841 18.229 4.947 1.00 1.00 C ATOM 529 C LEU A 37 33.597 17.093 5.936 1.00 1.00 C ATOM 530 O LEU A 37 32.671 17.150 6.744 1.00 1.00 O ATOM 531 CB LEU A 37 32.830 18.139 3.803 1.00 1.00 C ATOM 532 CG LEU A 37 33.219 19.121 2.698 1.00 1.00 C ATOM 533 CD1 LEU A 37 32.201 19.039 1.559 1.00 1.00 C ATOM 534 CD2 LEU A 37 33.234 20.543 3.264 1.00 1.00 C ATOM 0 H LEU A 37 35.257 17.941 3.425 1.00 1.00 H new ATOM 0 HA LEU A 37 33.718 19.180 5.466 1.00 1.00 H new ATOM 0 HB2 LEU A 37 32.802 17.124 3.408 1.00 1.00 H new ATOM 0 HB3 LEU A 37 31.829 18.366 4.170 1.00 1.00 H new ATOM 0 HG LEU A 37 34.209 18.867 2.319 1.00 1.00 H new ATOM 0 HD11 LEU A 37 32.479 19.739 0.771 1.00 1.00 H new ATOM 0 HD12 LEU A 37 32.187 18.026 1.156 1.00 1.00 H new ATOM 0 HD13 LEU A 37 31.211 19.293 1.937 1.00 1.00 H new ATOM 0 HD21 LEU A 37 33.511 21.245 2.477 1.00 1.00 H new ATOM 0 HD22 LEU A 37 32.243 20.795 3.642 1.00 1.00 H new ATOM 0 HD23 LEU A 37 33.958 20.604 4.076 1.00 1.00 H new ATOM 546 N VAL A 38 34.435 16.064 5.865 1.00 1.00 N ATOM 547 CA VAL A 38 34.301 14.919 6.759 1.00 1.00 C ATOM 548 C VAL A 38 35.330 14.992 7.882 1.00 1.00 C ATOM 549 O VAL A 38 35.266 14.229 8.846 1.00 1.00 O ATOM 550 CB VAL A 38 34.489 13.620 5.975 1.00 1.00 C ATOM 551 CG1 VAL A 38 34.472 12.434 6.940 1.00 1.00 C ATOM 552 CG2 VAL A 38 33.352 13.468 4.962 1.00 1.00 C ATOM 0 H VAL A 38 35.208 15.999 5.203 1.00 1.00 H new ATOM 0 HA VAL A 38 33.303 14.938 7.196 1.00 1.00 H new ATOM 0 HB VAL A 38 35.444 13.648 5.450 1.00 1.00 H new ATOM 0 HG11 VAL A 38 34.606 11.508 6.381 1.00 1.00 H new ATOM 0 HG12 VAL A 38 35.281 12.542 7.663 1.00 1.00 H new ATOM 0 HG13 VAL A 38 33.517 12.406 7.465 1.00 1.00 H new ATOM 0 HG21 VAL A 38 33.485 12.542 4.402 1.00 1.00 H new ATOM 0 HG22 VAL A 38 32.398 13.440 5.488 1.00 1.00 H new ATOM 0 HG23 VAL A 38 33.363 14.313 4.274 1.00 1.00 H new ATOM 562 N PHE A 39 36.279 15.914 7.750 1.00 1.00 N ATOM 563 CA PHE A 39 37.318 16.076 8.760 1.00 1.00 C ATOM 564 C PHE A 39 36.724 16.624 10.054 1.00 1.00 C ATOM 565 O PHE A 39 37.181 16.292 11.148 1.00 1.00 O ATOM 566 CB PHE A 39 38.400 17.028 8.250 1.00 1.00 C ATOM 567 CG PHE A 39 39.178 17.581 9.421 1.00 1.00 C ATOM 568 CD1 PHE A 39 39.784 16.706 10.330 1.00 1.00 C ATOM 569 CD2 PHE A 39 39.293 18.965 9.599 1.00 1.00 C ATOM 570 CE1 PHE A 39 40.506 17.214 11.417 1.00 1.00 C ATOM 571 CE2 PHE A 39 40.015 19.473 10.686 1.00 1.00 C ATOM 572 CZ PHE A 39 40.621 18.598 11.595 1.00 1.00 C ATOM 0 H PHE A 39 36.350 16.555 6.960 1.00 1.00 H new ATOM 0 HA PHE A 39 37.760 15.100 8.960 1.00 1.00 H new ATOM 0 HB2 PHE A 39 39.070 16.503 7.570 1.00 1.00 H new ATOM 0 HB3 PHE A 39 37.946 17.842 7.685 1.00 1.00 H new ATOM 0 HD1 PHE A 39 39.695 15.638 10.193 1.00 1.00 H new ATOM 0 HD2 PHE A 39 38.825 19.641 8.898 1.00 1.00 H new ATOM 0 HE1 PHE A 39 40.974 16.538 12.118 1.00 1.00 H new ATOM 0 HE2 PHE A 39 40.104 20.541 10.823 1.00 1.00 H new ATOM 0 HZ PHE A 39 41.177 18.990 12.434 1.00 1.00 H new ATOM 582 N LEU A 40 35.705 17.466 9.921 1.00 1.00 N ATOM 583 CA LEU A 40 35.056 18.057 11.087 1.00 1.00 C ATOM 584 C LEU A 40 33.745 17.339 11.390 1.00 1.00 C ATOM 585 O LEU A 40 33.083 17.631 12.386 1.00 1.00 O ATOM 586 CB LEU A 40 34.783 19.541 10.836 1.00 1.00 C ATOM 587 CG LEU A 40 34.059 19.708 9.499 1.00 1.00 C ATOM 588 CD1 LEU A 40 32.890 20.678 9.670 1.00 1.00 C ATOM 589 CD2 LEU A 40 35.035 20.265 8.459 1.00 1.00 C ATOM 0 H LEU A 40 35.312 17.753 9.025 1.00 1.00 H new ATOM 0 HA LEU A 40 35.721 17.951 11.944 1.00 1.00 H new ATOM 0 HB2 LEU A 40 34.177 19.952 11.644 1.00 1.00 H new ATOM 0 HB3 LEU A 40 35.720 20.097 10.826 1.00 1.00 H new ATOM 0 HG LEU A 40 33.683 18.741 9.165 1.00 1.00 H new ATOM 0 HD11 LEU A 40 32.374 20.797 8.717 1.00 1.00 H new ATOM 0 HD12 LEU A 40 32.196 20.284 10.412 1.00 1.00 H new ATOM 0 HD13 LEU A 40 33.266 21.646 10.003 1.00 1.00 H new ATOM 0 HD21 LEU A 40 34.521 20.385 7.505 1.00 1.00 H new ATOM 0 HD22 LEU A 40 35.410 21.232 8.793 1.00 1.00 H new ATOM 0 HD23 LEU A 40 35.870 19.575 8.337 1.00 1.00 H new ATOM 601 N LEU A 41 33.376 16.400 10.524 1.00 1.00 N ATOM 602 CA LEU A 41 32.141 15.647 10.708 1.00 1.00 C ATOM 603 C LEU A 41 32.372 14.164 10.437 1.00 1.00 C ATOM 604 O LEU A 41 31.737 13.575 9.563 1.00 1.00 O ATOM 605 CB LEU A 41 31.060 16.176 9.763 1.00 1.00 C ATOM 606 CG LEU A 41 30.505 17.493 10.309 1.00 1.00 C ATOM 607 CD1 LEU A 41 30.174 18.429 9.145 1.00 1.00 C ATOM 608 CD2 LEU A 41 29.234 17.215 11.114 1.00 1.00 C ATOM 0 H LEU A 41 33.910 16.144 9.694 1.00 1.00 H new ATOM 0 HA LEU A 41 31.814 15.770 11.740 1.00 1.00 H new ATOM 0 HB2 LEU A 41 31.476 16.329 8.767 1.00 1.00 H new ATOM 0 HB3 LEU A 41 30.258 15.444 9.664 1.00 1.00 H new ATOM 0 HG LEU A 41 31.250 17.962 10.953 1.00 1.00 H new ATOM 0 HD11 LEU A 41 29.779 19.367 9.534 1.00 1.00 H new ATOM 0 HD12 LEU A 41 31.078 18.627 8.569 1.00 1.00 H new ATOM 0 HD13 LEU A 41 29.429 17.960 8.502 1.00 1.00 H new ATOM 0 HD21 LEU A 41 28.838 18.153 11.504 1.00 1.00 H new ATOM 0 HD22 LEU A 41 28.490 16.747 10.469 1.00 1.00 H new ATOM 0 HD23 LEU A 41 29.467 16.547 11.943 1.00 1.00 H new ATOM 620 N GLY A 42 33.288 13.566 11.193 1.00 1.00 N ATOM 621 CA GLY A 42 33.596 12.150 11.027 1.00 1.00 C ATOM 622 C GLY A 42 34.615 11.692 12.063 1.00 1.00 C ATOM 623 O GLY A 42 34.611 10.534 12.482 1.00 1.00 O ATOM 0 H GLY A 42 33.826 14.036 11.921 1.00 1.00 H new ATOM 0 HA2 GLY A 42 32.684 11.561 11.123 1.00 1.00 H new ATOM 0 HA3 GLY A 42 33.986 11.973 10.024 1.00 1.00 H new ATOM 627 N THR A 43 35.488 12.610 12.470 1.00 1.00 N ATOM 628 CA THR A 43 36.514 12.300 13.458 1.00 1.00 C ATOM 629 C THR A 43 36.488 13.322 14.589 1.00 1.00 C ATOM 630 O THR A 43 36.515 12.962 15.766 1.00 1.00 O ATOM 631 CB THR A 43 37.893 12.301 12.792 1.00 1.00 C ATOM 632 OG1 THR A 43 38.120 11.040 12.177 1.00 1.00 O ATOM 633 CG2 THR A 43 38.974 12.560 13.842 1.00 1.00 C ATOM 0 H THR A 43 35.504 13.572 12.131 1.00 1.00 H new ATOM 0 HA THR A 43 36.313 11.312 13.873 1.00 1.00 H new ATOM 0 HB THR A 43 37.930 13.087 12.038 1.00 1.00 H new ATOM 0 HG1 THR A 43 39.001 11.039 11.749 1.00 1.00 H new ATOM 0 HG21 THR A 43 39.953 12.560 13.364 1.00 1.00 H new ATOM 0 HG22 THR A 43 38.800 13.528 14.312 1.00 1.00 H new ATOM 0 HG23 THR A 43 38.940 11.777 14.600 1.00 1.00 H new ATOM 641 N THR A 44 36.433 14.599 14.223 1.00 1.00 N ATOM 642 CA THR A 44 36.403 15.667 15.216 1.00 1.00 C ATOM 643 C THR A 44 35.481 15.298 16.373 1.00 1.00 C ATOM 644 O THR A 44 35.692 15.726 17.508 1.00 1.00 O ATOM 645 CB THR A 44 35.919 16.966 14.567 1.00 1.00 C ATOM 646 OG1 THR A 44 37.002 17.588 13.892 1.00 1.00 O ATOM 647 CG2 THR A 44 35.379 17.907 15.644 1.00 1.00 C ATOM 0 H THR A 44 36.408 14.918 13.254 1.00 1.00 H new ATOM 0 HA THR A 44 37.412 15.808 15.604 1.00 1.00 H new ATOM 0 HB THR A 44 35.126 16.742 13.854 1.00 1.00 H new ATOM 0 HG1 THR A 44 37.190 17.105 13.061 1.00 1.00 H new ATOM 0 HG21 THR A 44 35.035 18.831 15.180 1.00 1.00 H new ATOM 0 HG22 THR A 44 34.547 17.429 16.161 1.00 1.00 H new ATOM 0 HG23 THR A 44 36.170 18.133 16.360 1.00 1.00 H new ATOM 655 N GLY A 45 34.461 14.499 16.079 1.00 1.00 N ATOM 656 CA GLY A 45 33.512 14.078 17.104 1.00 1.00 C ATOM 657 C GLY A 45 34.231 13.388 18.258 1.00 1.00 C ATOM 658 O GLY A 45 34.384 13.959 19.338 1.00 1.00 O ATOM 0 H GLY A 45 34.271 14.132 15.147 1.00 1.00 H new ATOM 0 HA2 GLY A 45 32.965 14.944 17.477 1.00 1.00 H new ATOM 0 HA3 GLY A 45 32.778 13.400 16.669 1.00 1.00 H new ATOM 662 N ASN A 46 34.672 12.155 18.022 1.00 1.00 N ATOM 663 CA ASN A 46 35.375 11.392 19.046 1.00 1.00 C ATOM 664 C ASN A 46 34.725 11.597 20.412 1.00 1.00 C ATOM 665 O ASN A 46 35.079 12.518 21.146 1.00 1.00 O ATOM 666 CB ASN A 46 36.839 11.829 19.104 1.00 1.00 C ATOM 667 CG ASN A 46 37.489 11.308 20.381 1.00 1.00 C ATOM 668 OD1 ASN A 46 37.779 10.116 20.490 1.00 1.00 O ATOM 669 ND2 ASN A 46 37.737 12.134 21.360 1.00 1.00 N ATOM 0 H ASN A 46 34.555 11.666 17.135 1.00 1.00 H new ATOM 0 HA ASN A 46 35.320 10.334 18.788 1.00 1.00 H new ATOM 0 HB2 ASN A 46 37.375 11.451 18.233 1.00 1.00 H new ATOM 0 HB3 ASN A 46 36.904 12.917 19.071 1.00 1.00 H new ATOM 0 HD21 ASN A 46 38.172 11.793 22.217 1.00 1.00 H new ATOM 0 HD22 ASN A 46 37.496 13.121 21.268 1.00 1.00 H new ATOM 676 N GLY A 47 33.774 10.729 20.744 1.00 1.00 N ATOM 677 CA GLY A 47 33.082 10.825 22.023 1.00 1.00 C ATOM 678 C GLY A 47 31.625 10.399 21.888 1.00 1.00 C ATOM 679 O GLY A 47 31.005 9.962 22.858 1.00 1.00 O ATOM 0 H GLY A 47 33.468 9.958 20.151 1.00 1.00 H new ATOM 0 HA2 GLY A 47 33.582 10.196 22.759 1.00 1.00 H new ATOM 0 HA3 GLY A 47 33.133 11.849 22.392 1.00 1.00 H new ATOM 683 N LEU A 48 31.086 10.527 20.678 1.00 1.00 N ATOM 684 CA LEU A 48 29.699 10.153 20.421 1.00 1.00 C ATOM 685 C LEU A 48 29.641 8.882 19.582 1.00 1.00 C ATOM 686 O LEU A 48 28.561 8.397 19.247 1.00 1.00 O ATOM 687 CB LEU A 48 28.962 11.280 19.683 1.00 1.00 C ATOM 688 CG LEU A 48 29.159 12.626 20.404 1.00 1.00 C ATOM 689 CD1 LEU A 48 28.812 12.473 21.887 1.00 1.00 C ATOM 690 CD2 LEU A 48 30.613 13.102 20.275 1.00 1.00 C ATOM 0 H LEU A 48 31.586 10.885 19.864 1.00 1.00 H new ATOM 0 HA LEU A 48 29.213 9.978 21.381 1.00 1.00 H new ATOM 0 HB2 LEU A 48 29.331 11.353 18.660 1.00 1.00 H new ATOM 0 HB3 LEU A 48 27.899 11.047 19.623 1.00 1.00 H new ATOM 0 HG LEU A 48 28.502 13.363 19.942 1.00 1.00 H new ATOM 0 HD11 LEU A 48 28.953 13.428 22.394 1.00 1.00 H new ATOM 0 HD12 LEU A 48 27.773 12.159 21.987 1.00 1.00 H new ATOM 0 HD13 LEU A 48 29.463 11.724 22.338 1.00 1.00 H new ATOM 0 HD21 LEU A 48 30.731 14.055 20.791 1.00 1.00 H new ATOM 0 HD22 LEU A 48 31.279 12.363 20.721 1.00 1.00 H new ATOM 0 HD23 LEU A 48 30.863 13.227 19.221 1.00 1.00 H new ATOM 702 N VAL A 49 30.809 8.347 19.244 1.00 1.00 N ATOM 703 CA VAL A 49 30.876 7.131 18.443 1.00 1.00 C ATOM 704 C VAL A 49 31.172 5.925 19.328 1.00 1.00 C ATOM 705 O VAL A 49 31.791 4.956 18.888 1.00 1.00 O ATOM 706 CB VAL A 49 31.966 7.264 17.378 1.00 1.00 C ATOM 707 CG1 VAL A 49 31.860 8.636 16.708 1.00 1.00 C ATOM 708 CG2 VAL A 49 33.340 7.126 18.036 1.00 1.00 C ATOM 0 H VAL A 49 31.715 8.732 19.510 1.00 1.00 H new ATOM 0 HA VAL A 49 29.911 6.985 17.957 1.00 1.00 H new ATOM 0 HB VAL A 49 31.839 6.482 16.629 1.00 1.00 H new ATOM 0 HG11 VAL A 49 32.637 8.731 15.949 1.00 1.00 H new ATOM 0 HG12 VAL A 49 30.881 8.738 16.240 1.00 1.00 H new ATOM 0 HG13 VAL A 49 31.987 9.418 17.457 1.00 1.00 H new ATOM 0 HG21 VAL A 49 34.118 7.221 17.278 1.00 1.00 H new ATOM 0 HG22 VAL A 49 33.465 7.909 18.784 1.00 1.00 H new ATOM 0 HG23 VAL A 49 33.417 6.150 18.515 1.00 1.00 H new ATOM 718 N LEU A 50 30.727 5.992 20.578 1.00 1.00 N ATOM 719 CA LEU A 50 30.954 4.899 21.516 1.00 1.00 C ATOM 720 C LEU A 50 29.999 4.992 22.703 1.00 1.00 C ATOM 721 O LEU A 50 29.586 3.974 23.259 1.00 1.00 O ATOM 722 CB LEU A 50 32.400 4.934 22.019 1.00 1.00 C ATOM 723 CG LEU A 50 32.657 6.256 22.747 1.00 1.00 C ATOM 724 CD1 LEU A 50 32.673 6.013 24.257 1.00 1.00 C ATOM 725 CD2 LEU A 50 34.010 6.821 22.308 1.00 1.00 C ATOM 0 H LEU A 50 30.212 6.784 20.963 1.00 1.00 H new ATOM 0 HA LEU A 50 30.770 3.960 20.994 1.00 1.00 H new ATOM 0 HB2 LEU A 50 32.583 4.095 22.691 1.00 1.00 H new ATOM 0 HB3 LEU A 50 33.090 4.828 21.182 1.00 1.00 H new ATOM 0 HG LEU A 50 31.867 6.966 22.503 1.00 1.00 H new ATOM 0 HD11 LEU A 50 32.856 6.954 24.775 1.00 1.00 H new ATOM 0 HD12 LEU A 50 31.711 5.607 24.570 1.00 1.00 H new ATOM 0 HD13 LEU A 50 33.463 5.304 24.503 1.00 1.00 H new ATOM 0 HD21 LEU A 50 34.196 7.763 22.825 1.00 1.00 H new ATOM 0 HD22 LEU A 50 34.798 6.110 22.554 1.00 1.00 H new ATOM 0 HD23 LEU A 50 34.000 6.993 21.232 1.00 1.00 H new ATOM 737 N TRP A 51 29.655 6.216 23.093 1.00 1.00 N ATOM 738 CA TRP A 51 28.753 6.420 24.221 1.00 1.00 C ATOM 739 C TRP A 51 27.297 6.374 23.766 1.00 1.00 C ATOM 740 O TRP A 51 26.603 5.380 23.978 1.00 1.00 O ATOM 741 CB TRP A 51 29.045 7.768 24.886 1.00 1.00 C ATOM 742 CG TRP A 51 27.790 8.316 25.489 1.00 1.00 C ATOM 743 CD1 TRP A 51 26.968 7.640 26.323 1.00 1.00 C ATOM 744 CD2 TRP A 51 27.203 9.639 25.317 1.00 1.00 C ATOM 745 NE1 TRP A 51 25.913 8.463 26.674 1.00 1.00 N ATOM 746 CE2 TRP A 51 26.013 9.706 26.080 1.00 1.00 C ATOM 747 CE3 TRP A 51 27.584 10.775 24.582 1.00 1.00 C ATOM 748 CZ2 TRP A 51 25.229 10.860 26.112 1.00 1.00 C ATOM 749 CZ3 TRP A 51 26.797 11.938 24.610 1.00 1.00 C ATOM 750 CH2 TRP A 51 25.622 11.980 25.375 1.00 1.00 C ATOM 0 H TRP A 51 29.984 7.074 22.649 1.00 1.00 H new ATOM 0 HA TRP A 51 28.917 5.618 24.941 1.00 1.00 H new ATOM 0 HB2 TRP A 51 29.807 7.647 25.656 1.00 1.00 H new ATOM 0 HB3 TRP A 51 29.443 8.468 24.151 1.00 1.00 H new ATOM 0 HD1 TRP A 51 27.112 6.624 26.660 1.00 1.00 H new ATOM 0 HE1 TRP A 51 25.154 8.186 27.296 1.00 1.00 H new ATOM 0 HE3 TRP A 51 28.488 10.753 23.992 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 24.325 10.887 26.702 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 27.098 12.804 24.040 1.00 1.00 H new ATOM 0 HH2 TRP A 51 25.022 12.877 25.394 1.00 1.00 H new ATOM 761 N THR A 52 26.839 7.454 23.142 1.00 1.00 N ATOM 762 CA THR A 52 25.461 7.522 22.667 1.00 1.00 C ATOM 763 C THR A 52 25.138 6.326 21.778 1.00 1.00 C ATOM 764 O THR A 52 23.978 6.079 21.452 1.00 1.00 O ATOM 765 CB THR A 52 25.241 8.822 21.889 1.00 1.00 C ATOM 766 OG1 THR A 52 23.872 9.194 21.970 1.00 1.00 O ATOM 767 CG2 THR A 52 25.628 8.620 20.423 1.00 1.00 C ATOM 0 H THR A 52 27.396 8.288 22.954 1.00 1.00 H new ATOM 0 HA THR A 52 24.797 7.501 23.531 1.00 1.00 H new ATOM 0 HB THR A 52 25.861 9.609 22.319 1.00 1.00 H new ATOM 0 HG1 THR A 52 23.729 10.027 21.474 1.00 1.00 H new ATOM 0 HG21 THR A 52 25.470 9.548 19.874 1.00 1.00 H new ATOM 0 HG22 THR A 52 26.678 8.336 20.360 1.00 1.00 H new ATOM 0 HG23 THR A 52 25.012 7.832 19.989 1.00 1.00 H new ATOM 775 N VAL A 53 26.172 5.588 21.388 1.00 1.00 N ATOM 776 CA VAL A 53 25.984 4.420 20.536 1.00 1.00 C ATOM 777 C VAL A 53 25.785 3.164 21.380 1.00 1.00 C ATOM 778 O VAL A 53 25.242 2.166 20.906 1.00 1.00 O ATOM 779 CB VAL A 53 27.199 4.234 19.624 1.00 1.00 C ATOM 780 CG1 VAL A 53 27.085 2.898 18.887 1.00 1.00 C ATOM 781 CG2 VAL A 53 27.254 5.374 18.604 1.00 1.00 C ATOM 0 H VAL A 53 27.141 5.776 21.646 1.00 1.00 H new ATOM 0 HA VAL A 53 25.094 4.581 19.928 1.00 1.00 H new ATOM 0 HB VAL A 53 28.107 4.242 20.227 1.00 1.00 H new ATOM 0 HG11 VAL A 53 27.950 2.766 18.238 1.00 1.00 H new ATOM 0 HG12 VAL A 53 27.048 2.085 19.612 1.00 1.00 H new ATOM 0 HG13 VAL A 53 26.176 2.890 18.286 1.00 1.00 H new ATOM 0 HG21 VAL A 53 28.120 5.240 17.955 1.00 1.00 H new ATOM 0 HG22 VAL A 53 26.345 5.368 18.002 1.00 1.00 H new ATOM 0 HG23 VAL A 53 27.336 6.327 19.127 1.00 1.00 H new ATOM 791 N PHE A 54 26.229 3.221 22.631 1.00 1.00 N ATOM 792 CA PHE A 54 26.095 2.081 23.531 1.00 1.00 C ATOM 793 C PHE A 54 24.629 1.703 23.707 1.00 1.00 C ATOM 794 O PHE A 54 24.307 0.557 24.023 1.00 1.00 O ATOM 795 CB PHE A 54 26.704 2.416 24.893 1.00 1.00 C ATOM 796 CG PHE A 54 26.408 1.299 25.865 1.00 1.00 C ATOM 797 CD1 PHE A 54 27.146 0.111 25.811 1.00 1.00 C ATOM 798 CD2 PHE A 54 25.396 1.451 26.819 1.00 1.00 C ATOM 799 CE1 PHE A 54 26.872 -0.925 26.711 1.00 1.00 C ATOM 800 CE2 PHE A 54 25.121 0.415 27.720 1.00 1.00 C ATOM 801 CZ PHE A 54 25.859 -0.773 27.666 1.00 1.00 C ATOM 0 H PHE A 54 26.681 4.037 23.043 1.00 1.00 H new ATOM 0 HA PHE A 54 26.625 1.235 23.094 1.00 1.00 H new ATOM 0 HB2 PHE A 54 27.781 2.554 24.798 1.00 1.00 H new ATOM 0 HB3 PHE A 54 26.294 3.355 25.266 1.00 1.00 H new ATOM 0 HD1 PHE A 54 27.927 -0.006 25.075 1.00 1.00 H new ATOM 0 HD2 PHE A 54 24.827 2.368 26.861 1.00 1.00 H new ATOM 0 HE1 PHE A 54 27.442 -1.842 26.669 1.00 1.00 H new ATOM 0 HE2 PHE A 54 24.340 0.533 28.456 1.00 1.00 H new ATOM 0 HZ PHE A 54 25.647 -1.572 28.361 1.00 1.00 H new ATOM 811 N ARG A 55 23.742 2.673 23.502 1.00 1.00 N ATOM 812 CA ARG A 55 22.309 2.431 23.644 1.00 1.00 C ATOM 813 C ARG A 55 21.647 2.307 22.276 1.00 1.00 C ATOM 814 O ARG A 55 20.548 1.767 22.156 1.00 1.00 O ATOM 815 CB ARG A 55 21.654 3.570 24.431 1.00 1.00 C ATOM 816 CG ARG A 55 22.414 4.878 24.187 1.00 1.00 C ATOM 817 CD ARG A 55 23.550 5.010 25.205 1.00 1.00 C ATOM 818 NE ARG A 55 23.081 5.697 26.402 1.00 1.00 N ATOM 819 CZ ARG A 55 22.815 7.000 26.388 1.00 1.00 C ATOM 820 NH1 ARG A 55 22.962 7.684 25.287 1.00 1.00 N ATOM 821 NH2 ARG A 55 22.408 7.594 27.476 1.00 1.00 N ATOM 0 H ARG A 55 23.988 3.627 23.239 1.00 1.00 H new ATOM 0 HA ARG A 55 22.174 1.496 24.187 1.00 1.00 H new ATOM 0 HB2 ARG A 55 20.613 3.682 24.127 1.00 1.00 H new ATOM 0 HB3 ARG A 55 21.652 3.334 25.495 1.00 1.00 H new ATOM 0 HG2 ARG A 55 22.816 4.893 23.174 1.00 1.00 H new ATOM 0 HG3 ARG A 55 21.735 5.726 24.273 1.00 1.00 H new ATOM 0 HD2 ARG A 55 23.927 4.022 25.469 1.00 1.00 H new ATOM 0 HD3 ARG A 55 24.381 5.561 24.764 1.00 1.00 H new ATOM 0 HE ARG A 55 22.955 5.169 27.266 1.00 1.00 H new ATOM 0 HH11 ARG A 55 23.281 7.219 24.437 1.00 1.00 H new ATOM 0 HH12 ARG A 55 22.758 8.683 25.276 1.00 1.00 H new ATOM 0 HH21 ARG A 55 22.294 7.059 28.337 1.00 1.00 H new ATOM 0 HH22 ARG A 55 22.204 8.593 27.466 1.00 1.00 H new ATOM 835 N LYS A 56 22.324 2.811 21.247 1.00 1.00 N ATOM 836 CA LYS A 56 21.793 2.751 19.888 1.00 1.00 C ATOM 837 C LYS A 56 22.553 1.722 19.060 1.00 1.00 C ATOM 838 O LYS A 56 22.473 1.718 17.831 1.00 1.00 O ATOM 839 CB LYS A 56 21.903 4.125 19.224 1.00 1.00 C ATOM 840 CG LYS A 56 21.296 5.188 20.142 1.00 1.00 C ATOM 841 CD LYS A 56 19.821 4.867 20.391 1.00 1.00 C ATOM 842 CE LYS A 56 19.074 6.150 20.760 1.00 1.00 C ATOM 843 NZ LYS A 56 18.709 6.887 19.517 1.00 1.00 N ATOM 0 H LYS A 56 23.235 3.263 21.327 1.00 1.00 H new ATOM 0 HA LYS A 56 20.745 2.455 19.940 1.00 1.00 H new ATOM 0 HB2 LYS A 56 22.948 4.359 19.021 1.00 1.00 H new ATOM 0 HB3 LYS A 56 21.385 4.119 18.265 1.00 1.00 H new ATOM 0 HG2 LYS A 56 21.837 5.218 21.088 1.00 1.00 H new ATOM 0 HG3 LYS A 56 21.393 6.174 19.688 1.00 1.00 H new ATOM 0 HD2 LYS A 56 19.380 4.420 19.500 1.00 1.00 H new ATOM 0 HD3 LYS A 56 19.728 4.136 21.194 1.00 1.00 H new ATOM 0 HE2 LYS A 56 18.177 5.910 21.330 1.00 1.00 H new ATOM 0 HE3 LYS A 56 19.698 6.777 21.397 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 18.201 7.759 19.767 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 19.573 7.128 18.990 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 18.098 6.288 18.925 1.00 1.00 H new