USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=14 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 Set 1.1: A 52 THR OG1 : rot -142:sc= 0.999 USER MOD Set 1.2: A 56 LYS NZ :NH3+ 147:sc= 1.15 (180deg=-0.48) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=-0.018) 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= -0.288 X(o=-0.29,f=-0.3) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-2!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 180:sc= -1.2 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0476 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 60:sc= 0.442 USER MOD Single : A 27 SER OG : rot 65:sc= 0.148 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl -167:sc= -0.17 (180deg=-0.63) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -5.36! C(o=-5.4!,f=-7.6!) USER MOD ----------------------------------------------------------------- ATOM 57 N GLY A 5 50.737 53.354 -10.959 1.00 1.00 N ATOM 58 CA GLY A 5 49.693 53.770 -11.888 1.00 1.00 C ATOM 59 C GLY A 5 48.725 52.625 -12.168 1.00 1.00 C ATOM 60 O GLY A 5 49.084 51.454 -12.052 1.00 1.00 O ATOM 0 HA2 GLY A 5 49.149 54.618 -11.473 1.00 1.00 H new ATOM 0 HA3 GLY A 5 50.144 54.106 -12.821 1.00 1.00 H new ATOM 64 N ASP A 6 47.497 52.973 -12.538 1.00 1.00 N ATOM 65 CA ASP A 6 46.485 51.966 -12.833 1.00 1.00 C ATOM 66 C ASP A 6 46.962 51.036 -13.945 1.00 1.00 C ATOM 67 O ASP A 6 46.285 50.067 -14.290 1.00 1.00 O ATOM 68 CB ASP A 6 45.181 52.644 -13.257 1.00 1.00 C ATOM 69 CG ASP A 6 45.162 52.839 -14.769 1.00 1.00 C ATOM 70 OD1 ASP A 6 46.187 53.224 -15.309 1.00 1.00 O ATOM 71 OD2 ASP A 6 44.125 52.602 -15.365 1.00 1.00 O ATOM 0 H ASP A 6 47.180 53.937 -12.640 1.00 1.00 H new ATOM 0 HA ASP A 6 46.312 51.378 -11.932 1.00 1.00 H new ATOM 0 HB2 ASP A 6 44.329 52.037 -12.950 1.00 1.00 H new ATOM 0 HB3 ASP A 6 45.083 53.607 -12.757 1.00 1.00 H new ATOM 76 N PHE A 7 48.130 51.338 -14.501 1.00 1.00 N ATOM 77 CA PHE A 7 48.688 50.522 -15.573 1.00 1.00 C ATOM 78 C PHE A 7 48.809 49.067 -15.132 1.00 1.00 C ATOM 79 O PHE A 7 48.030 48.213 -15.559 1.00 1.00 O ATOM 80 CB PHE A 7 50.067 51.052 -15.969 1.00 1.00 C ATOM 81 CG PHE A 7 49.971 51.762 -17.299 1.00 1.00 C ATOM 82 CD1 PHE A 7 49.454 53.061 -17.364 1.00 1.00 C ATOM 83 CD2 PHE A 7 50.401 51.120 -18.467 1.00 1.00 C ATOM 84 CE1 PHE A 7 49.365 53.718 -18.597 1.00 1.00 C ATOM 85 CE2 PHE A 7 50.312 51.777 -19.700 1.00 1.00 C ATOM 86 CZ PHE A 7 49.795 53.076 -19.765 1.00 1.00 C ATOM 0 H PHE A 7 48.705 52.136 -14.230 1.00 1.00 H new ATOM 0 HA PHE A 7 48.018 50.576 -16.431 1.00 1.00 H new ATOM 0 HB2 PHE A 7 50.438 51.736 -15.206 1.00 1.00 H new ATOM 0 HB3 PHE A 7 50.779 50.230 -16.034 1.00 1.00 H new ATOM 0 HD1 PHE A 7 49.124 53.556 -16.463 1.00 1.00 H new ATOM 0 HD2 PHE A 7 50.801 50.118 -18.417 1.00 1.00 H new ATOM 0 HE1 PHE A 7 48.965 54.720 -18.647 1.00 1.00 H new ATOM 0 HE2 PHE A 7 50.642 51.282 -20.601 1.00 1.00 H new ATOM 0 HZ PHE A 7 49.728 53.583 -20.716 1.00 1.00 H new ATOM 96 N ASP A 8 49.787 48.792 -14.276 1.00 1.00 N ATOM 97 CA ASP A 8 49.999 47.436 -13.784 1.00 1.00 C ATOM 98 C ASP A 8 48.667 46.774 -13.444 1.00 1.00 C ATOM 99 O ASP A 8 47.868 47.321 -12.684 1.00 1.00 O ATOM 100 CB ASP A 8 50.888 47.465 -12.540 1.00 1.00 C ATOM 101 CG ASP A 8 51.338 46.051 -12.187 1.00 1.00 C ATOM 102 OD1 ASP A 8 50.527 45.146 -12.299 1.00 1.00 O ATOM 103 OD2 ASP A 8 52.488 45.893 -11.810 1.00 1.00 O ATOM 0 H ASP A 8 50.441 49.484 -13.911 1.00 1.00 H new ATOM 0 HA ASP A 8 50.489 46.858 -14.568 1.00 1.00 H new ATOM 0 HB2 ASP A 8 51.757 48.098 -12.719 1.00 1.00 H new ATOM 0 HB3 ASP A 8 50.343 47.901 -11.703 1.00 1.00 H new ATOM 108 N ASN A 9 48.435 45.596 -14.012 1.00 1.00 N ATOM 109 CA ASN A 9 47.196 44.869 -13.762 1.00 1.00 C ATOM 110 C ASN A 9 47.408 43.370 -13.943 1.00 1.00 C ATOM 111 O ASN A 9 46.865 42.560 -13.191 1.00 1.00 O ATOM 112 CB ASN A 9 46.105 45.351 -14.719 1.00 1.00 C ATOM 113 CG ASN A 9 44.740 45.256 -14.046 1.00 1.00 C ATOM 114 OD1 ASN A 9 44.448 46.013 -13.121 1.00 1.00 O ATOM 115 ND2 ASN A 9 43.881 44.362 -14.457 1.00 1.00 N ATOM 0 H ASN A 9 49.083 45.127 -14.644 1.00 1.00 H new ATOM 0 HA ASN A 9 46.887 45.059 -12.734 1.00 1.00 H new ATOM 0 HB2 ASN A 9 46.301 46.381 -15.018 1.00 1.00 H new ATOM 0 HB3 ASN A 9 46.114 44.748 -15.627 1.00 1.00 H new ATOM 0 HD21 ASN A 9 42.966 44.291 -14.011 1.00 1.00 H new ATOM 0 HD22 ASN A 9 44.125 43.735 -15.224 1.00 1.00 H new ATOM 122 N TYR A 10 48.201 43.007 -14.947 1.00 1.00 N ATOM 123 CA TYR A 10 48.477 41.600 -15.218 1.00 1.00 C ATOM 124 C TYR A 10 49.705 41.136 -14.440 1.00 1.00 C ATOM 125 O TYR A 10 49.606 40.285 -13.557 1.00 1.00 O ATOM 126 CB TYR A 10 48.711 41.393 -16.716 1.00 1.00 C ATOM 127 CG TYR A 10 47.904 42.404 -17.495 1.00 1.00 C ATOM 128 CD1 TYR A 10 46.547 42.169 -17.750 1.00 1.00 C ATOM 129 CD2 TYR A 10 48.513 43.573 -17.965 1.00 1.00 C ATOM 130 CE1 TYR A 10 45.799 43.106 -18.473 1.00 1.00 C ATOM 131 CE2 TYR A 10 47.765 44.510 -18.689 1.00 1.00 C ATOM 132 CZ TYR A 10 46.408 44.277 -18.942 1.00 1.00 C ATOM 133 OH TYR A 10 45.670 45.199 -19.655 1.00 1.00 O ATOM 0 H TYR A 10 48.660 43.661 -15.581 1.00 1.00 H new ATOM 0 HA TYR A 10 47.616 41.012 -14.900 1.00 1.00 H new ATOM 0 HB2 TYR A 10 49.771 41.501 -16.948 1.00 1.00 H new ATOM 0 HB3 TYR A 10 48.423 40.382 -17.004 1.00 1.00 H new ATOM 0 HD1 TYR A 10 46.078 41.266 -17.389 1.00 1.00 H new ATOM 0 HD2 TYR A 10 49.560 43.753 -17.769 1.00 1.00 H new ATOM 0 HE1 TYR A 10 44.752 42.926 -18.669 1.00 1.00 H new ATOM 0 HE2 TYR A 10 48.235 45.412 -19.052 1.00 1.00 H new ATOM 0 HH TYR A 10 46.243 45.954 -19.905 1.00 1.00 H new ATOM 143 N TYR A 11 50.860 41.702 -14.776 1.00 1.00 N ATOM 144 CA TYR A 11 52.101 41.338 -14.102 1.00 1.00 C ATOM 145 C TYR A 11 52.283 39.824 -14.095 1.00 1.00 C ATOM 146 O TYR A 11 52.897 39.259 -14.999 1.00 1.00 O ATOM 147 CB TYR A 11 52.087 41.859 -12.664 1.00 1.00 C ATOM 148 CG TYR A 11 53.276 41.307 -11.915 1.00 1.00 C ATOM 149 CD1 TYR A 11 54.558 41.807 -12.173 1.00 1.00 C ATOM 150 CD2 TYR A 11 53.097 40.295 -10.964 1.00 1.00 C ATOM 151 CE1 TYR A 11 55.661 41.295 -11.479 1.00 1.00 C ATOM 152 CE2 TYR A 11 54.200 39.783 -10.271 1.00 1.00 C ATOM 153 CZ TYR A 11 55.483 40.283 -10.529 1.00 1.00 C ATOM 154 OH TYR A 11 56.570 39.778 -9.845 1.00 1.00 O ATOM 0 H TYR A 11 50.962 42.408 -15.505 1.00 1.00 H new ATOM 0 HA TYR A 11 52.932 41.790 -14.643 1.00 1.00 H new ATOM 0 HB2 TYR A 11 52.116 42.949 -12.661 1.00 1.00 H new ATOM 0 HB3 TYR A 11 51.162 41.563 -12.168 1.00 1.00 H new ATOM 0 HD1 TYR A 11 54.696 42.587 -12.907 1.00 1.00 H new ATOM 0 HD2 TYR A 11 52.108 39.910 -10.765 1.00 1.00 H new ATOM 0 HE1 TYR A 11 56.650 41.681 -11.677 1.00 1.00 H new ATOM 0 HE2 TYR A 11 54.062 39.002 -9.537 1.00 1.00 H new ATOM 0 HH TYR A 11 56.271 39.083 -9.222 1.00 1.00 H new ATOM 164 N GLY A 12 51.745 39.173 -13.069 1.00 1.00 N ATOM 165 CA GLY A 12 51.854 37.723 -12.954 1.00 1.00 C ATOM 166 C GLY A 12 51.140 37.030 -14.110 1.00 1.00 C ATOM 167 O GLY A 12 51.738 36.233 -14.832 1.00 1.00 O ATOM 0 H GLY A 12 51.233 39.622 -12.310 1.00 1.00 H new ATOM 0 HA2 GLY A 12 52.905 37.433 -12.944 1.00 1.00 H new ATOM 0 HA3 GLY A 12 51.424 37.396 -12.007 1.00 1.00 H new ATOM 171 N ALA A 13 49.859 37.340 -14.278 1.00 1.00 N ATOM 172 CA ALA A 13 49.072 36.741 -15.351 1.00 1.00 C ATOM 173 C ALA A 13 49.219 35.222 -15.338 1.00 1.00 C ATOM 174 O ALA A 13 49.822 34.655 -14.427 1.00 1.00 O ATOM 175 CB ALA A 13 49.532 37.288 -16.703 1.00 1.00 C ATOM 0 H ALA A 13 49.346 37.997 -13.690 1.00 1.00 H new ATOM 0 HA ALA A 13 48.024 36.995 -15.194 1.00 1.00 H new ATOM 0 HB1 ALA A 13 48.940 36.836 -17.499 1.00 1.00 H new ATOM 0 HB2 ALA A 13 49.400 38.370 -16.722 1.00 1.00 H new ATOM 0 HB3 ALA A 13 50.585 37.048 -16.853 1.00 1.00 H new ATOM 181 N ASP A 14 48.664 34.571 -16.353 1.00 1.00 N ATOM 182 CA ASP A 14 48.739 33.118 -16.449 1.00 1.00 C ATOM 183 C ASP A 14 50.179 32.643 -16.282 1.00 1.00 C ATOM 184 O ASP A 14 50.427 31.550 -15.776 1.00 1.00 O ATOM 185 CB ASP A 14 48.200 32.654 -17.804 1.00 1.00 C ATOM 186 CG ASP A 14 46.750 33.097 -17.967 1.00 1.00 C ATOM 187 OD1 ASP A 14 45.913 32.599 -17.233 1.00 1.00 O ATOM 188 OD2 ASP A 14 46.498 33.928 -18.826 1.00 1.00 O ATOM 0 H ASP A 14 48.160 35.022 -17.117 1.00 1.00 H new ATOM 0 HA ASP A 14 48.132 32.689 -15.652 1.00 1.00 H new ATOM 0 HB2 ASP A 14 48.808 33.068 -18.608 1.00 1.00 H new ATOM 0 HB3 ASP A 14 48.268 31.569 -17.880 1.00 1.00 H new ATOM 193 N ASN A 15 51.124 33.474 -16.712 1.00 1.00 N ATOM 194 CA ASN A 15 52.536 33.128 -16.605 1.00 1.00 C ATOM 195 C ASN A 15 52.890 32.760 -15.168 1.00 1.00 C ATOM 196 O ASN A 15 53.715 31.878 -14.929 1.00 1.00 O ATOM 197 CB ASN A 15 53.398 34.308 -17.059 1.00 1.00 C ATOM 198 CG ASN A 15 52.827 34.909 -18.339 1.00 1.00 C ATOM 199 OD1 ASN A 15 52.575 36.112 -18.402 1.00 1.00 O ATOM 200 ND2 ASN A 15 52.607 34.139 -19.369 1.00 1.00 N ATOM 0 H ASN A 15 50.939 34.384 -17.134 1.00 1.00 H new ATOM 0 HA ASN A 15 52.730 32.268 -17.246 1.00 1.00 H new ATOM 0 HB2 ASN A 15 53.433 35.066 -16.276 1.00 1.00 H new ATOM 0 HB3 ASN A 15 54.422 33.977 -17.229 1.00 1.00 H new ATOM 0 HD21 ASN A 15 52.225 34.534 -20.229 1.00 1.00 H new ATOM 0 HD22 ASN A 15 52.817 33.142 -19.315 1.00 1.00 H new ATOM 207 N GLN A 16 52.262 33.441 -14.216 1.00 1.00 N ATOM 208 CA GLN A 16 52.519 33.176 -12.805 1.00 1.00 C ATOM 209 C GLN A 16 51.214 33.176 -12.014 1.00 1.00 C ATOM 210 O GLN A 16 51.081 33.888 -11.018 1.00 1.00 O ATOM 211 CB GLN A 16 53.462 34.238 -12.238 1.00 1.00 C ATOM 212 CG GLN A 16 54.678 34.383 -13.154 1.00 1.00 C ATOM 213 CD GLN A 16 55.667 35.379 -12.555 1.00 1.00 C ATOM 214 OE1 GLN A 16 55.303 36.518 -12.266 1.00 1.00 O ATOM 215 NE2 GLN A 16 56.903 35.014 -12.352 1.00 1.00 N ATOM 0 H GLN A 16 51.576 34.175 -14.393 1.00 1.00 H new ATOM 0 HA GLN A 16 52.984 32.194 -12.717 1.00 1.00 H new ATOM 0 HB2 GLN A 16 52.942 35.192 -12.152 1.00 1.00 H new ATOM 0 HB3 GLN A 16 53.781 33.957 -11.234 1.00 1.00 H new ATOM 0 HG2 GLN A 16 55.160 33.415 -13.288 1.00 1.00 H new ATOM 0 HG3 GLN A 16 54.362 34.721 -14.141 1.00 1.00 H new ATOM 0 HE21 GLN A 16 57.202 34.069 -12.593 1.00 1.00 H new ATOM 0 HE22 GLN A 16 57.571 35.674 -11.953 1.00 1.00 H new ATOM 224 N SER A 17 50.256 32.373 -12.463 1.00 1.00 N ATOM 225 CA SER A 17 48.965 32.289 -11.789 1.00 1.00 C ATOM 226 C SER A 17 48.294 30.950 -12.080 1.00 1.00 C ATOM 227 O SER A 17 47.943 30.663 -13.225 1.00 1.00 O ATOM 228 CB SER A 17 48.057 33.428 -12.254 1.00 1.00 C ATOM 229 OG SER A 17 46.895 33.466 -11.436 1.00 1.00 O ATOM 0 H SER A 17 50.347 31.775 -13.284 1.00 1.00 H new ATOM 0 HA SER A 17 49.132 32.373 -10.715 1.00 1.00 H new ATOM 0 HB2 SER A 17 48.588 34.378 -12.196 1.00 1.00 H new ATOM 0 HB3 SER A 17 47.777 33.282 -13.297 1.00 1.00 H new ATOM 0 HG SER A 17 46.311 34.196 -11.730 1.00 1.00 H new ATOM 235 N GLU A 18 48.121 30.144 -11.032 1.00 1.00 N ATOM 236 CA GLU A 18 47.492 28.830 -11.159 1.00 1.00 C ATOM 237 C GLU A 18 47.808 28.188 -12.507 1.00 1.00 C ATOM 238 O GLU A 18 46.913 27.708 -13.203 1.00 1.00 O ATOM 239 CB GLU A 18 45.975 28.952 -10.985 1.00 1.00 C ATOM 240 CG GLU A 18 45.414 29.978 -11.975 1.00 1.00 C ATOM 241 CD GLU A 18 43.890 29.906 -11.987 1.00 1.00 C ATOM 242 OE1 GLU A 18 43.366 28.830 -11.755 1.00 1.00 O ATOM 243 OE2 GLU A 18 43.270 30.930 -12.226 1.00 1.00 O ATOM 0 H GLU A 18 48.409 30.380 -10.082 1.00 1.00 H new ATOM 0 HA GLU A 18 47.897 28.190 -10.375 1.00 1.00 H new ATOM 0 HB2 GLU A 18 45.503 27.983 -11.147 1.00 1.00 H new ATOM 0 HB3 GLU A 18 45.741 29.254 -9.964 1.00 1.00 H new ATOM 0 HG2 GLU A 18 45.737 30.981 -11.696 1.00 1.00 H new ATOM 0 HG3 GLU A 18 45.804 29.784 -12.974 1.00 1.00 H new ATOM 250 N CYS A 19 49.086 28.185 -12.868 1.00 1.00 N ATOM 251 CA CYS A 19 49.511 27.599 -14.134 1.00 1.00 C ATOM 252 C CYS A 19 49.432 26.077 -14.073 1.00 1.00 C ATOM 253 O CYS A 19 48.499 25.472 -14.601 1.00 1.00 O ATOM 254 CB CYS A 19 50.945 28.026 -14.452 1.00 1.00 C ATOM 255 SG CYS A 19 51.665 26.876 -15.651 1.00 1.00 S ATOM 0 H CYS A 19 49.841 28.579 -12.307 1.00 1.00 H new ATOM 0 HA CYS A 19 48.844 27.955 -14.920 1.00 1.00 H new ATOM 0 HB2 CYS A 19 50.954 29.039 -14.853 1.00 1.00 H new ATOM 0 HB3 CYS A 19 51.543 28.039 -13.540 1.00 1.00 H new ATOM 0 HG CYS A 19 52.883 27.239 -15.923 1.00 1.00 H new ATOM 261 N GLU A 20 50.418 25.465 -13.425 1.00 1.00 N ATOM 262 CA GLU A 20 50.449 24.012 -13.301 1.00 1.00 C ATOM 263 C GLU A 20 50.984 23.602 -11.932 1.00 1.00 C ATOM 264 O GLU A 20 51.450 22.478 -11.749 1.00 1.00 O ATOM 265 CB GLU A 20 51.332 23.412 -14.397 1.00 1.00 C ATOM 266 CG GLU A 20 50.590 23.463 -15.734 1.00 1.00 C ATOM 267 CD GLU A 20 51.448 22.845 -16.832 1.00 1.00 C ATOM 268 OE1 GLU A 20 52.636 23.122 -16.855 1.00 1.00 O ATOM 269 OE2 GLU A 20 50.904 22.106 -17.636 1.00 1.00 O ATOM 0 H GLU A 20 51.200 25.947 -12.981 1.00 1.00 H new ATOM 0 HA GLU A 20 49.432 23.636 -13.409 1.00 1.00 H new ATOM 0 HB2 GLU A 20 52.269 23.965 -14.467 1.00 1.00 H new ATOM 0 HB3 GLU A 20 51.588 22.382 -14.150 1.00 1.00 H new ATOM 0 HG2 GLU A 20 49.645 22.926 -15.655 1.00 1.00 H new ATOM 0 HG3 GLU A 20 50.350 24.496 -15.987 1.00 1.00 H new ATOM 276 N TYR A 21 50.911 24.524 -10.976 1.00 1.00 N ATOM 277 CA TYR A 21 51.389 24.254 -9.623 1.00 1.00 C ATOM 278 C TYR A 21 50.213 24.099 -8.664 1.00 1.00 C ATOM 279 O TYR A 21 50.366 23.577 -7.559 1.00 1.00 O ATOM 280 CB TYR A 21 52.287 25.396 -9.149 1.00 1.00 C ATOM 281 CG TYR A 21 53.471 25.526 -10.076 1.00 1.00 C ATOM 282 CD1 TYR A 21 54.498 24.575 -10.038 1.00 1.00 C ATOM 283 CD2 TYR A 21 53.544 26.597 -10.975 1.00 1.00 C ATOM 284 CE1 TYR A 21 55.597 24.695 -10.897 1.00 1.00 C ATOM 285 CE2 TYR A 21 54.642 26.718 -11.834 1.00 1.00 C ATOM 286 CZ TYR A 21 55.669 25.767 -11.795 1.00 1.00 C ATOM 287 OH TYR A 21 56.752 25.885 -12.642 1.00 1.00 O ATOM 0 H TYR A 21 50.528 25.460 -11.112 1.00 1.00 H new ATOM 0 HA TYR A 21 51.960 23.326 -9.637 1.00 1.00 H new ATOM 0 HB2 TYR A 21 51.725 26.330 -9.128 1.00 1.00 H new ATOM 0 HB3 TYR A 21 52.628 25.206 -8.131 1.00 1.00 H new ATOM 0 HD1 TYR A 21 54.442 23.748 -9.345 1.00 1.00 H new ATOM 0 HD2 TYR A 21 52.752 27.331 -11.005 1.00 1.00 H new ATOM 0 HE1 TYR A 21 56.389 23.961 -10.867 1.00 1.00 H new ATOM 0 HE2 TYR A 21 54.697 27.545 -12.527 1.00 1.00 H new ATOM 0 HH TYR A 21 56.645 26.683 -13.201 1.00 1.00 H new ATOM 297 N THR A 22 49.041 24.556 -9.094 1.00 1.00 N ATOM 298 CA THR A 22 47.842 24.468 -8.267 1.00 1.00 C ATOM 299 C THR A 22 46.662 23.944 -9.081 1.00 1.00 C ATOM 300 O THR A 22 45.791 23.252 -8.556 1.00 1.00 O ATOM 301 CB THR A 22 47.498 25.846 -7.698 1.00 1.00 C ATOM 302 OG1 THR A 22 46.869 26.627 -8.705 1.00 1.00 O ATOM 303 CG2 THR A 22 48.777 26.543 -7.234 1.00 1.00 C ATOM 0 H THR A 22 48.896 24.989 -10.006 1.00 1.00 H new ATOM 0 HA THR A 22 48.040 23.775 -7.450 1.00 1.00 H new ATOM 0 HB THR A 22 46.823 25.732 -6.850 1.00 1.00 H new ATOM 0 HG1 THR A 22 46.646 27.510 -8.343 1.00 1.00 H new ATOM 0 HG21 THR A 22 48.530 27.524 -6.829 1.00 1.00 H new ATOM 0 HG22 THR A 22 49.259 25.943 -6.462 1.00 1.00 H new ATOM 0 HG23 THR A 22 49.455 26.659 -8.079 1.00 1.00 H new ATOM 311 N ASP A 23 46.641 24.283 -10.366 1.00 1.00 N ATOM 312 CA ASP A 23 45.563 23.844 -11.247 1.00 1.00 C ATOM 313 C ASP A 23 45.198 22.389 -10.972 1.00 1.00 C ATOM 314 O ASP A 23 44.103 21.941 -11.316 1.00 1.00 O ATOM 315 CB ASP A 23 45.990 23.999 -12.707 1.00 1.00 C ATOM 316 CG ASP A 23 45.137 23.104 -13.598 1.00 1.00 C ATOM 317 OD1 ASP A 23 44.030 23.505 -13.922 1.00 1.00 O ATOM 318 OD2 ASP A 23 45.601 22.031 -13.946 1.00 1.00 O ATOM 0 H ASP A 23 47.353 24.856 -10.819 1.00 1.00 H new ATOM 0 HA ASP A 23 44.688 24.465 -11.055 1.00 1.00 H new ATOM 0 HB2 ASP A 23 45.886 25.039 -13.016 1.00 1.00 H new ATOM 0 HB3 ASP A 23 47.043 23.738 -12.816 1.00 1.00 H new ATOM 323 N TRP A 24 46.117 21.655 -10.352 1.00 1.00 N ATOM 324 CA TRP A 24 45.876 20.250 -10.037 1.00 1.00 C ATOM 325 C TRP A 24 45.561 20.079 -8.553 1.00 1.00 C ATOM 326 O TRP A 24 44.420 20.255 -8.128 1.00 1.00 O ATOM 327 CB TRP A 24 47.102 19.408 -10.405 1.00 1.00 C ATOM 328 CG TRP A 24 48.353 20.136 -10.026 1.00 1.00 C ATOM 329 CD1 TRP A 24 48.802 21.269 -10.612 1.00 1.00 C ATOM 330 CD2 TRP A 24 49.322 19.800 -8.990 1.00 1.00 C ATOM 331 NE1 TRP A 24 49.984 21.650 -10.004 1.00 1.00 N ATOM 332 CE2 TRP A 24 50.346 20.776 -8.997 1.00 1.00 C ATOM 333 CE3 TRP A 24 49.410 18.753 -8.054 1.00 1.00 C ATOM 334 CZ2 TRP A 24 51.419 20.717 -8.108 1.00 1.00 C ATOM 335 CZ3 TRP A 24 50.490 18.690 -7.158 1.00 1.00 C ATOM 336 CH2 TRP A 24 51.492 19.670 -7.185 1.00 1.00 C ATOM 0 H TRP A 24 47.029 22.006 -10.059 1.00 1.00 H new ATOM 0 HA TRP A 24 45.019 19.911 -10.619 1.00 1.00 H new ATOM 0 HB2 TRP A 24 47.061 18.447 -9.892 1.00 1.00 H new ATOM 0 HB3 TRP A 24 47.103 19.199 -11.475 1.00 1.00 H new ATOM 0 HD1 TRP A 24 48.316 21.791 -11.423 1.00 1.00 H new ATOM 0 HE1 TRP A 24 50.523 22.475 -10.267 1.00 1.00 H new ATOM 0 HE3 TRP A 24 48.643 17.993 -8.024 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 52.188 21.475 -8.133 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 50.549 17.882 -6.444 1.00 1.00 H new ATOM 0 HH2 TRP A 24 52.320 19.616 -6.493 1.00 1.00 H new ATOM 347 N LYS A 25 46.581 19.736 -7.773 1.00 1.00 N ATOM 348 CA LYS A 25 46.404 19.542 -6.338 1.00 1.00 C ATOM 349 C LYS A 25 45.317 18.510 -6.066 1.00 1.00 C ATOM 350 O LYS A 25 44.774 18.443 -4.964 1.00 1.00 O ATOM 351 CB LYS A 25 46.034 20.869 -5.672 1.00 1.00 C ATOM 352 CG LYS A 25 47.303 21.688 -5.429 1.00 1.00 C ATOM 353 CD LYS A 25 46.923 23.110 -5.011 1.00 1.00 C ATOM 354 CE LYS A 25 48.193 23.918 -4.735 1.00 1.00 C ATOM 355 NZ LYS A 25 48.542 23.817 -3.290 1.00 1.00 N ATOM 0 H LYS A 25 47.533 19.587 -8.107 1.00 1.00 H new ATOM 0 HA LYS A 25 47.343 19.178 -5.921 1.00 1.00 H new ATOM 0 HB2 LYS A 25 45.344 21.426 -6.306 1.00 1.00 H new ATOM 0 HB3 LYS A 25 45.521 20.684 -4.728 1.00 1.00 H new ATOM 0 HG2 LYS A 25 47.908 21.219 -4.653 1.00 1.00 H new ATOM 0 HG3 LYS A 25 47.910 21.714 -6.334 1.00 1.00 H new ATOM 0 HD2 LYS A 25 46.339 23.588 -5.798 1.00 1.00 H new ATOM 0 HD3 LYS A 25 46.296 23.083 -4.120 1.00 1.00 H new ATOM 0 HE2 LYS A 25 49.015 23.544 -5.346 1.00 1.00 H new ATOM 0 HE3 LYS A 25 48.040 24.961 -5.011 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 49.405 24.366 -3.102 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 47.760 24.194 -2.717 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 48.705 22.820 -3.041 1.00 1.00 H new ATOM 369 N SER A 26 45.007 17.705 -7.078 1.00 1.00 N ATOM 370 CA SER A 26 43.985 16.675 -6.939 1.00 1.00 C ATOM 371 C SER A 26 43.527 16.185 -8.309 1.00 1.00 C ATOM 372 O SER A 26 43.312 16.979 -9.224 1.00 1.00 O ATOM 373 CB SER A 26 42.787 17.222 -6.165 1.00 1.00 C ATOM 374 OG SER A 26 42.958 16.947 -4.781 1.00 1.00 O ATOM 0 H SER A 26 45.446 17.746 -7.998 1.00 1.00 H new ATOM 0 HA SER A 26 44.417 15.838 -6.391 1.00 1.00 H new ATOM 0 HB2 SER A 26 42.695 18.296 -6.326 1.00 1.00 H new ATOM 0 HB3 SER A 26 41.866 16.766 -6.527 1.00 1.00 H new ATOM 0 HG SER A 26 43.779 17.375 -4.461 1.00 1.00 H new ATOM 380 N SER A 27 43.383 14.871 -8.441 1.00 1.00 N ATOM 381 CA SER A 27 42.954 14.281 -9.703 1.00 1.00 C ATOM 382 C SER A 27 41.445 14.414 -9.872 1.00 1.00 C ATOM 383 O SER A 27 40.742 13.422 -10.067 1.00 1.00 O ATOM 384 CB SER A 27 43.344 12.805 -9.749 1.00 1.00 C ATOM 385 OG SER A 27 42.755 12.129 -8.645 1.00 1.00 O ATOM 0 H SER A 27 43.556 14.198 -7.694 1.00 1.00 H new ATOM 0 HA SER A 27 43.448 14.813 -10.516 1.00 1.00 H new ATOM 0 HB2 SER A 27 43.009 12.358 -10.685 1.00 1.00 H new ATOM 0 HB3 SER A 27 44.429 12.702 -9.717 1.00 1.00 H new ATOM 0 HG SER A 27 41.779 12.145 -8.734 1.00 1.00 H new ATOM 391 N GLY A 28 40.953 15.644 -9.795 1.00 1.00 N ATOM 392 CA GLY A 28 39.524 15.894 -9.942 1.00 1.00 C ATOM 393 C GLY A 28 39.058 16.993 -8.994 1.00 1.00 C ATOM 394 O GLY A 28 37.984 17.567 -9.176 1.00 1.00 O ATOM 0 H GLY A 28 41.517 16.478 -9.633 1.00 1.00 H new ATOM 0 HA2 GLY A 28 39.306 16.180 -10.971 1.00 1.00 H new ATOM 0 HA3 GLY A 28 38.969 14.977 -9.742 1.00 1.00 H new ATOM 398 N ALA A 29 39.870 17.285 -7.982 1.00 1.00 N ATOM 399 CA ALA A 29 39.522 18.321 -7.015 1.00 1.00 C ATOM 400 C ALA A 29 38.383 17.855 -6.113 1.00 1.00 C ATOM 401 O ALA A 29 37.655 18.671 -5.548 1.00 1.00 O ATOM 402 CB ALA A 29 39.104 19.597 -7.748 1.00 1.00 C ATOM 0 H ALA A 29 40.764 16.825 -7.811 1.00 1.00 H new ATOM 0 HA ALA A 29 40.397 18.524 -6.398 1.00 1.00 H new ATOM 0 HB1 ALA A 29 38.845 20.366 -7.021 1.00 1.00 H new ATOM 0 HB2 ALA A 29 39.929 19.947 -8.369 1.00 1.00 H new ATOM 0 HB3 ALA A 29 38.239 19.388 -8.378 1.00 1.00 H new ATOM 408 N LEU A 30 38.237 16.538 -5.983 1.00 1.00 N ATOM 409 CA LEU A 30 37.182 15.973 -5.145 1.00 1.00 C ATOM 410 C LEU A 30 37.767 15.390 -3.863 1.00 1.00 C ATOM 411 O LEU A 30 37.034 15.043 -2.937 1.00 1.00 O ATOM 412 CB LEU A 30 36.434 14.878 -5.913 1.00 1.00 C ATOM 413 CG LEU A 30 37.357 13.675 -6.125 1.00 1.00 C ATOM 414 CD1 LEU A 30 36.980 12.560 -5.148 1.00 1.00 C ATOM 415 CD2 LEU A 30 37.202 13.164 -7.559 1.00 1.00 C ATOM 0 H LEU A 30 38.830 15.847 -6.443 1.00 1.00 H new ATOM 0 HA LEU A 30 36.488 16.771 -4.882 1.00 1.00 H new ATOM 0 HB2 LEU A 30 35.546 14.574 -5.359 1.00 1.00 H new ATOM 0 HB3 LEU A 30 36.094 15.262 -6.875 1.00 1.00 H new ATOM 0 HG LEU A 30 38.390 13.976 -5.951 1.00 1.00 H new ATOM 0 HD11 LEU A 30 37.638 11.705 -5.301 1.00 1.00 H new ATOM 0 HD12 LEU A 30 37.086 12.921 -4.125 1.00 1.00 H new ATOM 0 HD13 LEU A 30 35.947 12.258 -5.321 1.00 1.00 H new ATOM 0 HD21 LEU A 30 37.858 12.307 -7.713 1.00 1.00 H new ATOM 0 HD22 LEU A 30 36.168 12.864 -7.729 1.00 1.00 H new ATOM 0 HD23 LEU A 30 37.469 13.956 -8.258 1.00 1.00 H new ATOM 427 N ILE A 31 39.090 15.285 -3.817 1.00 1.00 N ATOM 428 CA ILE A 31 39.764 14.741 -2.643 1.00 1.00 C ATOM 429 C ILE A 31 39.782 15.755 -1.496 1.00 1.00 C ATOM 430 O ILE A 31 39.617 15.381 -0.335 1.00 1.00 O ATOM 431 CB ILE A 31 41.197 14.332 -2.993 1.00 1.00 C ATOM 432 CG1 ILE A 31 41.306 14.088 -4.501 1.00 1.00 C ATOM 433 CG2 ILE A 31 41.557 13.046 -2.244 1.00 1.00 C ATOM 434 CD1 ILE A 31 42.546 13.244 -4.795 1.00 1.00 C ATOM 0 H ILE A 31 39.714 15.567 -4.573 1.00 1.00 H new ATOM 0 HA ILE A 31 39.208 13.862 -2.318 1.00 1.00 H new ATOM 0 HB ILE A 31 41.882 15.128 -2.703 1.00 1.00 H new ATOM 0 HG12 ILE A 31 40.413 13.579 -4.863 1.00 1.00 H new ATOM 0 HG13 ILE A 31 41.367 15.039 -5.030 1.00 1.00 H new ATOM 0 HG21 ILE A 31 42.577 12.754 -2.492 1.00 1.00 H new ATOM 0 HG22 ILE A 31 41.480 13.217 -1.170 1.00 1.00 H new ATOM 0 HG23 ILE A 31 40.871 12.251 -2.535 1.00 1.00 H new ATOM 0 HD11 ILE A 31 42.622 13.071 -5.868 1.00 1.00 H new ATOM 0 HD12 ILE A 31 43.435 13.771 -4.448 1.00 1.00 H new ATOM 0 HD13 ILE A 31 42.466 12.288 -4.278 1.00 1.00 H new ATOM 446 N PRO A 32 39.980 17.018 -1.788 1.00 1.00 N ATOM 447 CA PRO A 32 40.017 18.082 -0.741 1.00 1.00 C ATOM 448 C PRO A 32 38.699 18.170 0.023 1.00 1.00 C ATOM 449 O PRO A 32 38.616 18.819 1.066 1.00 1.00 O ATOM 450 CB PRO A 32 40.283 19.376 -1.521 1.00 1.00 C ATOM 451 CG PRO A 32 40.794 18.948 -2.858 1.00 1.00 C ATOM 452 CD PRO A 32 40.187 17.576 -3.132 1.00 1.00 C ATOM 0 HA PRO A 32 40.778 17.881 0.013 1.00 1.00 H new ATOM 0 HB2 PRO A 32 39.372 19.966 -1.621 1.00 1.00 H new ATOM 0 HB3 PRO A 32 41.012 20.000 -1.005 1.00 1.00 H new ATOM 0 HG2 PRO A 32 40.506 19.661 -3.630 1.00 1.00 H new ATOM 0 HG3 PRO A 32 41.883 18.898 -2.860 1.00 1.00 H new ATOM 0 HD2 PRO A 32 39.250 17.654 -3.683 1.00 1.00 H new ATOM 0 HD3 PRO A 32 40.855 16.953 -3.727 1.00 1.00 H new ATOM 460 N ALA A 33 37.673 17.510 -0.503 1.00 1.00 N ATOM 461 CA ALA A 33 36.363 17.516 0.135 1.00 1.00 C ATOM 462 C ALA A 33 36.266 16.397 1.166 1.00 1.00 C ATOM 463 O ALA A 33 35.912 16.633 2.321 1.00 1.00 O ATOM 464 CB ALA A 33 35.268 17.338 -0.919 1.00 1.00 C ATOM 0 H ALA A 33 37.723 16.967 -1.365 1.00 1.00 H new ATOM 0 HA ALA A 33 36.229 18.473 0.639 1.00 1.00 H new ATOM 0 HB1 ALA A 33 34.292 17.344 -0.434 1.00 1.00 H new ATOM 0 HB2 ALA A 33 35.320 18.155 -1.639 1.00 1.00 H new ATOM 0 HB3 ALA A 33 35.411 16.389 -1.436 1.00 1.00 H new ATOM 470 N ILE A 34 36.584 15.179 0.740 1.00 1.00 N ATOM 471 CA ILE A 34 36.531 14.030 1.636 1.00 1.00 C ATOM 472 C ILE A 34 37.531 14.197 2.776 1.00 1.00 C ATOM 473 O ILE A 34 37.178 14.075 3.949 1.00 1.00 O ATOM 474 CB ILE A 34 36.845 12.748 0.863 1.00 1.00 C ATOM 475 CG1 ILE A 34 35.780 12.530 -0.214 1.00 1.00 C ATOM 476 CG2 ILE A 34 36.846 11.559 1.825 1.00 1.00 C ATOM 477 CD1 ILE A 34 36.457 12.158 -1.534 1.00 1.00 C ATOM 0 H ILE A 34 36.879 14.963 -0.212 1.00 1.00 H new ATOM 0 HA ILE A 34 35.526 13.963 2.053 1.00 1.00 H new ATOM 0 HB ILE A 34 37.825 12.837 0.394 1.00 1.00 H new ATOM 0 HG12 ILE A 34 35.096 11.739 0.091 1.00 1.00 H new ATOM 0 HG13 ILE A 34 35.185 13.435 -0.341 1.00 1.00 H new ATOM 0 HG21 ILE A 34 37.070 10.645 1.274 1.00 1.00 H new ATOM 0 HG22 ILE A 34 37.603 11.714 2.594 1.00 1.00 H new ATOM 0 HG23 ILE A 34 35.866 11.469 2.294 1.00 1.00 H new ATOM 0 HD11 ILE A 34 35.698 12.003 -2.301 1.00 1.00 H new ATOM 0 HD12 ILE A 34 37.124 12.964 -1.841 1.00 1.00 H new ATOM 0 HD13 ILE A 34 37.032 11.242 -1.402 1.00 1.00 H new ATOM 489 N TYR A 35 38.782 14.476 2.422 1.00 1.00 N ATOM 490 CA TYR A 35 39.826 14.658 3.423 1.00 1.00 C ATOM 491 C TYR A 35 39.399 15.692 4.460 1.00 1.00 C ATOM 492 O TYR A 35 39.828 15.644 5.613 1.00 1.00 O ATOM 493 CB TYR A 35 41.122 15.114 2.749 1.00 1.00 C ATOM 494 CG TYR A 35 42.272 14.963 3.715 1.00 1.00 C ATOM 495 CD1 TYR A 35 42.508 15.947 4.682 1.00 1.00 C ATOM 496 CD2 TYR A 35 43.104 13.840 3.643 1.00 1.00 C ATOM 497 CE1 TYR A 35 43.575 15.808 5.577 1.00 1.00 C ATOM 498 CE2 TYR A 35 44.172 13.701 4.538 1.00 1.00 C ATOM 499 CZ TYR A 35 44.407 14.685 5.505 1.00 1.00 C ATOM 500 OH TYR A 35 45.459 14.547 6.387 1.00 1.00 O ATOM 0 H TYR A 35 39.095 14.580 1.457 1.00 1.00 H new ATOM 0 HA TYR A 35 39.993 13.705 3.924 1.00 1.00 H new ATOM 0 HB2 TYR A 35 41.306 14.522 1.853 1.00 1.00 H new ATOM 0 HB3 TYR A 35 41.033 16.153 2.432 1.00 1.00 H new ATOM 0 HD1 TYR A 35 41.866 16.814 4.738 1.00 1.00 H new ATOM 0 HD2 TYR A 35 42.922 13.080 2.897 1.00 1.00 H new ATOM 0 HE1 TYR A 35 43.756 16.567 6.323 1.00 1.00 H new ATOM 0 HE2 TYR A 35 44.814 12.835 4.482 1.00 1.00 H new ATOM 0 HH TYR A 35 45.935 13.711 6.200 1.00 1.00 H new ATOM 510 N MET A 36 38.551 16.627 4.043 1.00 1.00 N ATOM 511 CA MET A 36 38.072 17.667 4.944 1.00 1.00 C ATOM 512 C MET A 36 37.062 17.096 5.933 1.00 1.00 C ATOM 513 O MET A 36 37.307 17.066 7.139 1.00 1.00 O ATOM 514 CB MET A 36 37.421 18.795 4.140 1.00 1.00 C ATOM 515 CG MET A 36 37.137 19.985 5.059 1.00 1.00 C ATOM 516 SD MET A 36 38.201 21.374 4.593 1.00 1.00 S ATOM 517 CE MET A 36 39.774 20.634 5.094 1.00 1.00 C ATOM 0 H MET A 36 38.184 16.685 3.093 1.00 1.00 H new ATOM 0 HA MET A 36 38.923 18.061 5.499 1.00 1.00 H new ATOM 0 HB2 MET A 36 38.078 19.101 3.326 1.00 1.00 H new ATOM 0 HB3 MET A 36 36.494 18.444 3.687 1.00 1.00 H new ATOM 0 HG2 MET A 36 36.089 20.275 4.984 1.00 1.00 H new ATOM 0 HG3 MET A 36 37.317 19.707 6.098 1.00 1.00 H new ATOM 0 HE1 MET A 36 40.548 21.401 5.111 1.00 1.00 H new ATOM 0 HE2 MET A 36 39.671 20.200 6.088 1.00 1.00 H new ATOM 0 HE3 MET A 36 40.052 19.855 4.384 1.00 1.00 H new ATOM 527 N LEU A 37 35.926 16.640 5.414 1.00 1.00 N ATOM 528 CA LEU A 37 34.885 16.070 6.261 1.00 1.00 C ATOM 529 C LEU A 37 35.309 14.700 6.782 1.00 1.00 C ATOM 530 O LEU A 37 34.521 13.756 6.786 1.00 1.00 O ATOM 531 CB LEU A 37 33.582 15.937 5.471 1.00 1.00 C ATOM 532 CG LEU A 37 33.399 17.164 4.576 1.00 1.00 C ATOM 533 CD1 LEU A 37 32.014 17.121 3.928 1.00 1.00 C ATOM 534 CD2 LEU A 37 33.527 18.434 5.421 1.00 1.00 C ATOM 0 H LEU A 37 35.704 16.654 4.419 1.00 1.00 H new ATOM 0 HA LEU A 37 34.728 16.736 7.109 1.00 1.00 H new ATOM 0 HB2 LEU A 37 33.603 15.032 4.865 1.00 1.00 H new ATOM 0 HB3 LEU A 37 32.738 15.843 6.154 1.00 1.00 H new ATOM 0 HG LEU A 37 34.164 17.165 3.799 1.00 1.00 H new ATOM 0 HD11 LEU A 37 31.883 17.995 3.290 1.00 1.00 H new ATOM 0 HD12 LEU A 37 31.921 16.216 3.327 1.00 1.00 H new ATOM 0 HD13 LEU A 37 31.249 17.121 4.704 1.00 1.00 H new ATOM 0 HD21 LEU A 37 33.397 19.309 4.784 1.00 1.00 H new ATOM 0 HD22 LEU A 37 32.762 18.433 6.197 1.00 1.00 H new ATOM 0 HD23 LEU A 37 34.513 18.465 5.884 1.00 1.00 H new ATOM 546 N VAL A 38 36.562 14.600 7.218 1.00 1.00 N ATOM 547 CA VAL A 38 37.081 13.341 7.738 1.00 1.00 C ATOM 548 C VAL A 38 37.912 13.581 8.995 1.00 1.00 C ATOM 549 O VAL A 38 38.109 12.674 9.803 1.00 1.00 O ATOM 550 CB VAL A 38 37.942 12.654 6.676 1.00 1.00 C ATOM 551 CG1 VAL A 38 38.824 11.593 7.337 1.00 1.00 C ATOM 552 CG2 VAL A 38 37.035 11.987 5.640 1.00 1.00 C ATOM 0 H VAL A 38 37.231 15.370 7.221 1.00 1.00 H new ATOM 0 HA VAL A 38 36.238 12.699 7.993 1.00 1.00 H new ATOM 0 HB VAL A 38 38.573 13.396 6.187 1.00 1.00 H new ATOM 0 HG11 VAL A 38 39.436 11.105 6.579 1.00 1.00 H new ATOM 0 HG12 VAL A 38 39.470 12.066 8.076 1.00 1.00 H new ATOM 0 HG13 VAL A 38 38.194 10.851 7.828 1.00 1.00 H new ATOM 0 HG21 VAL A 38 37.647 11.497 4.883 1.00 1.00 H new ATOM 0 HG22 VAL A 38 36.404 11.246 6.132 1.00 1.00 H new ATOM 0 HG23 VAL A 38 36.407 12.742 5.167 1.00 1.00 H new ATOM 562 N PHE A 39 38.397 14.809 9.154 1.00 1.00 N ATOM 563 CA PHE A 39 39.206 15.154 10.317 1.00 1.00 C ATOM 564 C PHE A 39 38.369 15.912 11.345 1.00 1.00 C ATOM 565 O PHE A 39 38.516 15.707 12.550 1.00 1.00 O ATOM 566 CB PHE A 39 40.397 16.015 9.891 1.00 1.00 C ATOM 567 CG PHE A 39 41.670 15.429 10.458 1.00 1.00 C ATOM 568 CD1 PHE A 39 41.770 15.176 11.831 1.00 1.00 C ATOM 569 CD2 PHE A 39 42.748 15.143 9.613 1.00 1.00 C ATOM 570 CE1 PHE A 39 42.948 14.635 12.359 1.00 1.00 C ATOM 571 CE2 PHE A 39 43.926 14.601 10.140 1.00 1.00 C ATOM 572 CZ PHE A 39 44.027 14.348 11.513 1.00 1.00 C ATOM 0 H PHE A 39 38.245 15.575 8.498 1.00 1.00 H new ATOM 0 HA PHE A 39 39.570 14.231 10.769 1.00 1.00 H new ATOM 0 HB2 PHE A 39 40.457 16.059 8.804 1.00 1.00 H new ATOM 0 HB3 PHE A 39 40.265 17.038 10.245 1.00 1.00 H new ATOM 0 HD1 PHE A 39 40.938 15.398 12.483 1.00 1.00 H new ATOM 0 HD2 PHE A 39 42.671 15.340 8.554 1.00 1.00 H new ATOM 0 HE1 PHE A 39 43.025 14.439 13.418 1.00 1.00 H new ATOM 0 HE2 PHE A 39 44.757 14.378 9.487 1.00 1.00 H new ATOM 0 HZ PHE A 39 44.937 13.932 11.920 1.00 1.00 H new ATOM 582 N LEU A 40 37.493 16.786 10.859 1.00 1.00 N ATOM 583 CA LEU A 40 36.636 17.570 11.744 1.00 1.00 C ATOM 584 C LEU A 40 35.212 17.026 11.733 1.00 1.00 C ATOM 585 O LEU A 40 34.320 17.581 12.376 1.00 1.00 O ATOM 586 CB LEU A 40 36.626 19.034 11.300 1.00 1.00 C ATOM 587 CG LEU A 40 36.599 19.104 9.772 1.00 1.00 C ATOM 588 CD1 LEU A 40 35.715 20.272 9.330 1.00 1.00 C ATOM 589 CD2 LEU A 40 38.020 19.316 9.248 1.00 1.00 C ATOM 0 H LEU A 40 37.358 16.969 9.865 1.00 1.00 H new ATOM 0 HA LEU A 40 37.033 17.499 12.757 1.00 1.00 H new ATOM 0 HB2 LEU A 40 35.756 19.544 11.713 1.00 1.00 H new ATOM 0 HB3 LEU A 40 37.508 19.547 11.683 1.00 1.00 H new ATOM 0 HG LEU A 40 36.198 18.173 9.373 1.00 1.00 H new ATOM 0 HD11 LEU A 40 35.696 20.322 8.241 1.00 1.00 H new ATOM 0 HD12 LEU A 40 34.702 20.124 9.704 1.00 1.00 H new ATOM 0 HD13 LEU A 40 36.117 21.204 9.729 1.00 1.00 H new ATOM 0 HD21 LEU A 40 38.003 19.366 8.159 1.00 1.00 H new ATOM 0 HD22 LEU A 40 38.420 20.248 9.648 1.00 1.00 H new ATOM 0 HD23 LEU A 40 38.652 18.485 9.563 1.00 1.00 H new ATOM 601 N LEU A 41 35.005 15.938 10.997 1.00 1.00 N ATOM 602 CA LEU A 41 33.682 15.326 10.909 1.00 1.00 C ATOM 603 C LEU A 41 33.780 13.810 11.040 1.00 1.00 C ATOM 604 O LEU A 41 32.892 13.167 11.599 1.00 1.00 O ATOM 605 CB LEU A 41 33.032 15.683 9.571 1.00 1.00 C ATOM 606 CG LEU A 41 31.676 14.984 9.460 1.00 1.00 C ATOM 607 CD1 LEU A 41 30.636 15.969 8.921 1.00 1.00 C ATOM 608 CD2 LEU A 41 31.793 13.794 8.505 1.00 1.00 C ATOM 0 H LEU A 41 35.729 15.465 10.457 1.00 1.00 H new ATOM 0 HA LEU A 41 33.071 15.709 11.726 1.00 1.00 H new ATOM 0 HB2 LEU A 41 32.904 16.763 9.493 1.00 1.00 H new ATOM 0 HB3 LEU A 41 33.678 15.379 8.748 1.00 1.00 H new ATOM 0 HG LEU A 41 31.367 14.632 10.444 1.00 1.00 H new ATOM 0 HD11 LEU A 41 29.670 15.471 8.842 1.00 1.00 H new ATOM 0 HD12 LEU A 41 30.552 16.818 9.600 1.00 1.00 H new ATOM 0 HD13 LEU A 41 30.944 16.321 7.937 1.00 1.00 H new ATOM 0 HD21 LEU A 41 30.827 13.295 8.425 1.00 1.00 H new ATOM 0 HD22 LEU A 41 32.102 14.146 7.521 1.00 1.00 H new ATOM 0 HD23 LEU A 41 32.534 13.092 8.888 1.00 1.00 H new ATOM 620 N GLY A 42 34.866 13.246 10.521 1.00 1.00 N ATOM 621 CA GLY A 42 35.069 11.803 10.585 1.00 1.00 C ATOM 622 C GLY A 42 34.793 11.273 11.988 1.00 1.00 C ATOM 623 O GLY A 42 34.156 10.234 12.155 1.00 1.00 O ATOM 0 H GLY A 42 35.613 13.761 10.055 1.00 1.00 H new ATOM 0 HA2 GLY A 42 34.412 11.308 9.870 1.00 1.00 H new ATOM 0 HA3 GLY A 42 36.092 11.563 10.297 1.00 1.00 H new ATOM 627 N THR A 43 35.277 11.994 12.995 1.00 1.00 N ATOM 628 CA THR A 43 35.076 11.582 14.379 1.00 1.00 C ATOM 629 C THR A 43 34.990 12.800 15.295 1.00 1.00 C ATOM 630 O THR A 43 34.088 12.901 16.126 1.00 1.00 O ATOM 631 CB THR A 43 36.227 10.681 14.831 1.00 1.00 C ATOM 632 OG1 THR A 43 36.022 10.296 16.183 1.00 1.00 O ATOM 633 CG2 THR A 43 37.551 11.438 14.709 1.00 1.00 C ATOM 0 H THR A 43 35.806 12.858 12.880 1.00 1.00 H new ATOM 0 HA THR A 43 34.139 11.029 14.439 1.00 1.00 H new ATOM 0 HB THR A 43 36.261 9.792 14.201 1.00 1.00 H new ATOM 0 HG1 THR A 43 36.758 9.718 16.474 1.00 1.00 H new ATOM 0 HG21 THR A 43 38.369 10.794 15.032 1.00 1.00 H new ATOM 0 HG22 THR A 43 37.708 11.732 13.671 1.00 1.00 H new ATOM 0 HG23 THR A 43 37.520 12.328 15.337 1.00 1.00 H new ATOM 641 N THR A 44 35.933 13.722 15.135 1.00 1.00 N ATOM 642 CA THR A 44 35.952 14.929 15.954 1.00 1.00 C ATOM 643 C THR A 44 34.636 15.687 15.816 1.00 1.00 C ATOM 644 O THR A 44 34.364 16.621 16.569 1.00 1.00 O ATOM 645 CB THR A 44 37.113 15.830 15.526 1.00 1.00 C ATOM 646 OG1 THR A 44 38.335 15.275 15.989 1.00 1.00 O ATOM 647 CG2 THR A 44 36.926 17.226 16.123 1.00 1.00 C ATOM 0 H THR A 44 36.688 13.658 14.452 1.00 1.00 H new ATOM 0 HA THR A 44 36.084 14.640 16.997 1.00 1.00 H new ATOM 0 HB THR A 44 37.135 15.903 14.439 1.00 1.00 H new ATOM 0 HG1 THR A 44 39.080 15.850 15.715 1.00 1.00 H new ATOM 0 HG21 THR A 44 37.753 17.866 15.817 1.00 1.00 H new ATOM 0 HG22 THR A 44 35.988 17.651 15.767 1.00 1.00 H new ATOM 0 HG23 THR A 44 36.904 17.157 17.211 1.00 1.00 H new ATOM 655 N GLY A 45 33.823 15.277 14.848 1.00 1.00 N ATOM 656 CA GLY A 45 32.536 15.923 14.619 1.00 1.00 C ATOM 657 C GLY A 45 31.654 15.832 15.859 1.00 1.00 C ATOM 658 O GLY A 45 30.793 16.681 16.085 1.00 1.00 O ATOM 0 H GLY A 45 34.030 14.506 14.214 1.00 1.00 H new ATOM 0 HA2 GLY A 45 32.691 16.969 14.354 1.00 1.00 H new ATOM 0 HA3 GLY A 45 32.033 15.452 13.775 1.00 1.00 H new ATOM 662 N ASN A 46 31.874 14.793 16.657 1.00 1.00 N ATOM 663 CA ASN A 46 31.092 14.597 17.871 1.00 1.00 C ATOM 664 C ASN A 46 31.856 13.734 18.867 1.00 1.00 C ATOM 665 O ASN A 46 32.217 14.194 19.951 1.00 1.00 O ATOM 666 CB ASN A 46 29.760 13.928 17.527 1.00 1.00 C ATOM 667 CG ASN A 46 28.825 14.936 16.867 1.00 1.00 C ATOM 668 OD1 ASN A 46 27.962 15.510 17.530 1.00 1.00 O ATOM 669 ND2 ASN A 46 28.948 15.188 15.592 1.00 1.00 N ATOM 0 H ASN A 46 32.582 14.079 16.487 1.00 1.00 H new ATOM 0 HA ASN A 46 30.904 15.571 18.324 1.00 1.00 H new ATOM 0 HB2 ASN A 46 29.929 13.084 16.858 1.00 1.00 H new ATOM 0 HB3 ASN A 46 29.299 13.530 18.431 1.00 1.00 H new ATOM 0 HD21 ASN A 46 28.328 15.862 15.143 1.00 1.00 H new ATOM 0 HD22 ASN A 46 29.664 14.711 15.045 1.00 1.00 H new ATOM 676 N GLY A 47 32.100 12.482 18.491 1.00 1.00 N ATOM 677 CA GLY A 47 32.824 11.557 19.356 1.00 1.00 C ATOM 678 C GLY A 47 32.028 10.274 19.564 1.00 1.00 C ATOM 679 O GLY A 47 32.386 9.437 20.391 1.00 1.00 O ATOM 0 H GLY A 47 31.808 12.086 17.597 1.00 1.00 H new ATOM 0 HA2 GLY A 47 33.792 11.322 18.915 1.00 1.00 H new ATOM 0 HA3 GLY A 47 33.019 12.029 20.319 1.00 1.00 H new ATOM 683 N LEU A 48 30.945 10.124 18.807 1.00 1.00 N ATOM 684 CA LEU A 48 30.108 8.937 18.916 1.00 1.00 C ATOM 685 C LEU A 48 29.852 8.594 20.381 1.00 1.00 C ATOM 686 O LEU A 48 29.425 7.485 20.704 1.00 1.00 O ATOM 687 CB LEU A 48 30.797 7.764 18.228 1.00 1.00 C ATOM 688 CG LEU A 48 30.617 7.874 16.708 1.00 1.00 C ATOM 689 CD1 LEU A 48 29.160 7.597 16.317 1.00 1.00 C ATOM 690 CD2 LEU A 48 31.004 9.279 16.240 1.00 1.00 C ATOM 0 H LEU A 48 30.629 10.805 18.117 1.00 1.00 H new ATOM 0 HA LEU A 48 29.151 9.137 18.433 1.00 1.00 H new ATOM 0 HB2 LEU A 48 31.858 7.756 18.478 1.00 1.00 H new ATOM 0 HB3 LEU A 48 30.378 6.824 18.586 1.00 1.00 H new ATOM 0 HG LEU A 48 31.261 7.135 16.231 1.00 1.00 H new ATOM 0 HD11 LEU A 48 29.052 7.680 15.236 1.00 1.00 H new ATOM 0 HD12 LEU A 48 28.883 6.591 16.634 1.00 1.00 H new ATOM 0 HD13 LEU A 48 28.508 8.323 16.803 1.00 1.00 H new ATOM 0 HD21 LEU A 48 30.874 9.351 15.160 1.00 1.00 H new ATOM 0 HD22 LEU A 48 30.368 10.015 16.732 1.00 1.00 H new ATOM 0 HD23 LEU A 48 32.046 9.473 16.494 1.00 1.00 H new ATOM 702 N VAL A 49 30.118 9.556 21.258 1.00 1.00 N ATOM 703 CA VAL A 49 29.921 9.363 22.689 1.00 1.00 C ATOM 704 C VAL A 49 28.788 10.249 23.187 1.00 1.00 C ATOM 705 O VAL A 49 28.119 9.929 24.170 1.00 1.00 O ATOM 706 CB VAL A 49 31.206 9.708 23.440 1.00 1.00 C ATOM 707 CG1 VAL A 49 31.784 11.017 22.893 1.00 1.00 C ATOM 708 CG2 VAL A 49 30.895 9.874 24.929 1.00 1.00 C ATOM 0 H VAL A 49 30.471 10.478 21.002 1.00 1.00 H new ATOM 0 HA VAL A 49 29.664 8.319 22.870 1.00 1.00 H new ATOM 0 HB VAL A 49 31.932 8.906 23.305 1.00 1.00 H new ATOM 0 HG11 VAL A 49 32.701 11.262 23.429 1.00 1.00 H new ATOM 0 HG12 VAL A 49 32.004 10.902 21.832 1.00 1.00 H new ATOM 0 HG13 VAL A 49 31.059 11.819 23.028 1.00 1.00 H new ATOM 0 HG21 VAL A 49 31.811 10.120 25.467 1.00 1.00 H new ATOM 0 HG22 VAL A 49 30.169 10.676 25.062 1.00 1.00 H new ATOM 0 HG23 VAL A 49 30.483 8.944 25.321 1.00 1.00 H new ATOM 718 N LEU A 50 28.581 11.366 22.498 1.00 1.00 N ATOM 719 CA LEU A 50 27.530 12.301 22.871 1.00 1.00 C ATOM 720 C LEU A 50 26.354 12.196 21.906 1.00 1.00 C ATOM 721 O LEU A 50 25.351 12.894 22.056 1.00 1.00 O ATOM 722 CB LEU A 50 28.082 13.729 22.860 1.00 1.00 C ATOM 723 CG LEU A 50 28.485 14.113 21.436 1.00 1.00 C ATOM 724 CD1 LEU A 50 27.493 15.137 20.882 1.00 1.00 C ATOM 725 CD2 LEU A 50 29.888 14.722 21.454 1.00 1.00 C ATOM 0 H LEU A 50 29.126 11.644 21.682 1.00 1.00 H new ATOM 0 HA LEU A 50 27.182 12.053 23.874 1.00 1.00 H new ATOM 0 HB2 LEU A 50 27.330 14.423 23.235 1.00 1.00 H new ATOM 0 HB3 LEU A 50 28.943 13.802 23.524 1.00 1.00 H new ATOM 0 HG LEU A 50 28.479 13.225 20.804 1.00 1.00 H new ATOM 0 HD11 LEU A 50 27.781 15.410 19.867 1.00 1.00 H new ATOM 0 HD12 LEU A 50 26.492 14.705 20.872 1.00 1.00 H new ATOM 0 HD13 LEU A 50 27.498 16.026 21.512 1.00 1.00 H new ATOM 0 HD21 LEU A 50 30.178 14.997 20.440 1.00 1.00 H new ATOM 0 HD22 LEU A 50 29.891 15.610 22.086 1.00 1.00 H new ATOM 0 HD23 LEU A 50 30.596 13.993 21.849 1.00 1.00 H new ATOM 737 N TRP A 51 26.483 11.317 20.915 1.00 1.00 N ATOM 738 CA TRP A 51 25.421 11.130 19.933 1.00 1.00 C ATOM 739 C TRP A 51 24.333 10.218 20.490 1.00 1.00 C ATOM 740 O TRP A 51 23.338 10.688 21.044 1.00 1.00 O ATOM 741 CB TRP A 51 25.993 10.519 18.653 1.00 1.00 C ATOM 742 CG TRP A 51 24.877 9.971 17.823 1.00 1.00 C ATOM 743 CD1 TRP A 51 23.801 10.677 17.406 1.00 1.00 C ATOM 744 CD2 TRP A 51 24.708 8.621 17.303 1.00 1.00 C ATOM 745 NE1 TRP A 51 22.982 9.845 16.663 1.00 1.00 N ATOM 746 CE2 TRP A 51 23.498 8.568 16.571 1.00 1.00 C ATOM 747 CE3 TRP A 51 25.479 7.448 17.393 1.00 1.00 C ATOM 748 CZ2 TRP A 51 23.068 7.394 15.951 1.00 1.00 C ATOM 749 CZ3 TRP A 51 25.049 6.264 16.770 1.00 1.00 C ATOM 750 CH2 TRP A 51 23.847 6.237 16.051 1.00 1.00 C ATOM 0 H TRP A 51 27.304 10.729 20.772 1.00 1.00 H new ATOM 0 HA TRP A 51 24.986 12.103 19.707 1.00 1.00 H new ATOM 0 HB2 TRP A 51 26.543 11.274 18.091 1.00 1.00 H new ATOM 0 HB3 TRP A 51 26.700 9.727 18.899 1.00 1.00 H new ATOM 0 HD1 TRP A 51 23.612 11.719 17.618 1.00 1.00 H new ATOM 0 HE1 TRP A 51 22.104 10.139 16.235 1.00 1.00 H new ATOM 0 HE3 TRP A 51 26.408 7.457 17.944 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 22.140 7.379 15.398 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 25.649 5.369 16.846 1.00 1.00 H new ATOM 0 HH2 TRP A 51 23.522 5.324 15.575 1.00 1.00 H new ATOM 761 N THR A 52 24.529 8.912 20.339 1.00 1.00 N ATOM 762 CA THR A 52 23.558 7.941 20.830 1.00 1.00 C ATOM 763 C THR A 52 23.034 8.353 22.201 1.00 1.00 C ATOM 764 O THR A 52 21.826 8.346 22.442 1.00 1.00 O ATOM 765 CB THR A 52 24.208 6.558 20.925 1.00 1.00 C ATOM 766 OG1 THR A 52 23.628 5.838 22.004 1.00 1.00 O ATOM 767 CG2 THR A 52 25.710 6.713 21.161 1.00 1.00 C ATOM 0 H THR A 52 25.345 8.504 19.884 1.00 1.00 H new ATOM 0 HA THR A 52 22.722 7.904 20.131 1.00 1.00 H new ATOM 0 HB THR A 52 24.044 6.014 19.995 1.00 1.00 H new ATOM 0 HG1 THR A 52 24.321 5.313 22.457 1.00 1.00 H new ATOM 0 HG21 THR A 52 26.171 5.728 21.228 1.00 1.00 H new ATOM 0 HG22 THR A 52 26.153 7.265 20.332 1.00 1.00 H new ATOM 0 HG23 THR A 52 25.878 7.257 22.091 1.00 1.00 H new ATOM 775 N VAL A 53 23.948 8.711 23.097 1.00 1.00 N ATOM 776 CA VAL A 53 23.565 9.125 24.441 1.00 1.00 C ATOM 777 C VAL A 53 22.419 10.130 24.386 1.00 1.00 C ATOM 778 O VAL A 53 21.387 9.947 25.032 1.00 1.00 O ATOM 779 CB VAL A 53 24.763 9.752 25.156 1.00 1.00 C ATOM 780 CG1 VAL A 53 24.313 10.329 26.498 1.00 1.00 C ATOM 781 CG2 VAL A 53 25.830 8.681 25.395 1.00 1.00 C ATOM 0 H VAL A 53 24.952 8.723 22.918 1.00 1.00 H new ATOM 0 HA VAL A 53 23.234 8.244 24.992 1.00 1.00 H new ATOM 0 HB VAL A 53 25.177 10.549 24.539 1.00 1.00 H new ATOM 0 HG11 VAL A 53 25.167 10.776 27.007 1.00 1.00 H new ATOM 0 HG12 VAL A 53 23.552 11.091 26.330 1.00 1.00 H new ATOM 0 HG13 VAL A 53 23.898 9.532 27.116 1.00 1.00 H new ATOM 0 HG21 VAL A 53 26.685 9.126 25.905 1.00 1.00 H new ATOM 0 HG22 VAL A 53 25.414 7.884 26.012 1.00 1.00 H new ATOM 0 HG23 VAL A 53 26.152 8.269 24.439 1.00 1.00 H new ATOM 791 N PHE A 54 22.609 11.194 23.612 1.00 1.00 N ATOM 792 CA PHE A 54 21.584 12.224 23.480 1.00 1.00 C ATOM 793 C PHE A 54 20.253 11.604 23.070 1.00 1.00 C ATOM 794 O PHE A 54 19.188 12.083 23.463 1.00 1.00 O ATOM 795 CB PHE A 54 22.012 13.255 22.436 1.00 1.00 C ATOM 796 CG PHE A 54 22.091 14.620 23.077 1.00 1.00 C ATOM 797 CD1 PHE A 54 23.166 14.938 23.915 1.00 1.00 C ATOM 798 CD2 PHE A 54 21.089 15.567 22.834 1.00 1.00 C ATOM 799 CE1 PHE A 54 23.239 16.203 24.511 1.00 1.00 C ATOM 800 CE2 PHE A 54 21.162 16.832 23.430 1.00 1.00 C ATOM 801 CZ PHE A 54 22.237 17.150 24.268 1.00 1.00 C ATOM 0 H PHE A 54 23.456 11.365 23.070 1.00 1.00 H new ATOM 0 HA PHE A 54 21.461 12.715 24.445 1.00 1.00 H new ATOM 0 HB2 PHE A 54 22.980 12.982 22.016 1.00 1.00 H new ATOM 0 HB3 PHE A 54 21.300 13.270 21.611 1.00 1.00 H new ATOM 0 HD1 PHE A 54 23.939 14.208 24.102 1.00 1.00 H new ATOM 0 HD2 PHE A 54 20.260 15.322 22.187 1.00 1.00 H new ATOM 0 HE1 PHE A 54 24.068 16.448 25.158 1.00 1.00 H new ATOM 0 HE2 PHE A 54 20.389 17.562 23.243 1.00 1.00 H new ATOM 0 HZ PHE A 54 22.293 18.126 24.727 1.00 1.00 H new ATOM 811 N ARG A 55 20.319 10.537 22.281 1.00 1.00 N ATOM 812 CA ARG A 55 19.111 9.860 21.824 1.00 1.00 C ATOM 813 C ARG A 55 18.606 8.890 22.887 1.00 1.00 C ATOM 814 O ARG A 55 17.403 8.669 23.019 1.00 1.00 O ATOM 815 CB ARG A 55 19.398 9.097 20.529 1.00 1.00 C ATOM 816 CG ARG A 55 19.524 10.088 19.371 1.00 1.00 C ATOM 817 CD ARG A 55 20.545 9.563 18.359 1.00 1.00 C ATOM 818 NE ARG A 55 20.365 10.225 17.071 1.00 1.00 N ATOM 819 CZ ARG A 55 19.352 9.909 16.273 1.00 1.00 C ATOM 820 NH1 ARG A 55 18.495 8.994 16.635 1.00 1.00 N ATOM 821 NH2 ARG A 55 19.213 10.515 15.125 1.00 1.00 N ATOM 0 H ARG A 55 21.190 10.125 21.947 1.00 1.00 H new ATOM 0 HA ARG A 55 18.343 10.612 21.640 1.00 1.00 H new ATOM 0 HB2 ARG A 55 20.318 8.521 20.630 1.00 1.00 H new ATOM 0 HB3 ARG A 55 18.597 8.386 20.328 1.00 1.00 H new ATOM 0 HG2 ARG A 55 18.556 10.226 18.889 1.00 1.00 H new ATOM 0 HG3 ARG A 55 19.835 11.063 19.745 1.00 1.00 H new ATOM 0 HD2 ARG A 55 21.556 9.738 18.728 1.00 1.00 H new ATOM 0 HD3 ARG A 55 20.430 8.485 18.241 1.00 1.00 H new ATOM 0 HE ARG A 55 21.029 10.942 16.779 1.00 1.00 H new ATOM 0 HH11 ARG A 55 18.603 8.521 17.532 1.00 1.00 H new ATOM 0 HH12 ARG A 55 17.717 8.752 16.021 1.00 1.00 H new ATOM 0 HH21 ARG A 55 19.882 11.231 14.842 1.00 1.00 H new ATOM 0 HH22 ARG A 55 18.435 10.273 14.511 1.00 1.00 H new ATOM 835 N LYS A 56 19.534 8.313 23.644 1.00 1.00 N ATOM 836 CA LYS A 56 19.172 7.367 24.693 1.00 1.00 C ATOM 837 C LYS A 56 18.557 8.097 25.883 1.00 1.00 C ATOM 838 O LYS A 56 18.391 7.521 26.958 1.00 1.00 O ATOM 839 CB LYS A 56 20.410 6.593 25.150 1.00 1.00 C ATOM 840 CG LYS A 56 20.982 5.801 23.972 1.00 1.00 C ATOM 841 CD LYS A 56 20.354 4.406 23.944 1.00 1.00 C ATOM 842 CE LYS A 56 20.866 3.641 22.721 1.00 1.00 C ATOM 843 NZ LYS A 56 22.345 3.484 22.818 1.00 1.00 N ATOM 0 H LYS A 56 20.536 8.482 23.552 1.00 1.00 H new ATOM 0 HA LYS A 56 18.438 6.670 24.290 1.00 1.00 H new ATOM 0 HB2 LYS A 56 21.160 7.282 25.537 1.00 1.00 H new ATOM 0 HB3 LYS A 56 20.149 5.917 25.964 1.00 1.00 H new ATOM 0 HG2 LYS A 56 20.779 6.322 23.036 1.00 1.00 H new ATOM 0 HG3 LYS A 56 22.065 5.722 24.064 1.00 1.00 H new ATOM 0 HD2 LYS A 56 20.604 3.864 24.856 1.00 1.00 H new ATOM 0 HD3 LYS A 56 19.267 4.485 23.908 1.00 1.00 H new ATOM 0 HE2 LYS A 56 20.388 2.663 22.664 1.00 1.00 H new ATOM 0 HE3 LYS A 56 20.605 4.176 21.808 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 22.627 2.581 22.386 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 22.811 4.268 22.318 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 22.630 3.493 23.818 1.00 1.00 H new