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 Single : A 9 ASN : amide:sc= -1.2! C(o=-1.2!,f=-2!) 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= -1.03 K(o=-1,f=-2.1!) USER MOD Single : A 16 GLN : amide:sc= -0.774 X(o=-0.77,f=-0.5) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 180:sc= -0.832 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 140:sc= -1.49! USER MOD Single : A 27 SER OG : rot -63:sc= 1.01 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl -150:sc= -0.343 (180deg=-1.57!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -150:sc= -0.47 USER MOD Single : A 46 ASN :FLIP amide:sc= -1.07 F(o=-3.6!,f=-1.1) 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 52.037 7.134 -48.566 1.00 1.00 N ATOM 58 CA GLY A 5 52.030 8.591 -48.513 1.00 1.00 C ATOM 59 C GLY A 5 50.796 9.104 -47.779 1.00 1.00 C ATOM 60 O GLY A 5 50.581 8.787 -46.609 1.00 1.00 O ATOM 0 HA2 GLY A 5 52.930 8.945 -48.010 1.00 1.00 H new ATOM 0 HA3 GLY A 5 52.050 8.996 -49.525 1.00 1.00 H new ATOM 64 N ASP A 6 49.987 9.898 -48.474 1.00 1.00 N ATOM 65 CA ASP A 6 48.776 10.449 -47.878 1.00 1.00 C ATOM 66 C ASP A 6 47.848 9.329 -47.417 1.00 1.00 C ATOM 67 O ASP A 6 46.853 9.025 -48.077 1.00 1.00 O ATOM 68 CB ASP A 6 48.049 11.333 -48.892 1.00 1.00 C ATOM 69 CG ASP A 6 46.954 12.133 -48.197 1.00 1.00 C ATOM 70 OD1 ASP A 6 47.023 12.267 -46.987 1.00 1.00 O ATOM 71 OD2 ASP A 6 46.061 12.601 -48.885 1.00 1.00 O ATOM 0 H ASP A 6 50.147 10.172 -49.443 1.00 1.00 H new ATOM 0 HA ASP A 6 49.060 11.049 -47.013 1.00 1.00 H new ATOM 0 HB2 ASP A 6 48.757 12.010 -49.370 1.00 1.00 H new ATOM 0 HB3 ASP A 6 47.616 10.716 -49.680 1.00 1.00 H new ATOM 76 N PHE A 7 48.178 8.721 -46.283 1.00 1.00 N ATOM 77 CA PHE A 7 47.367 7.636 -45.745 1.00 1.00 C ATOM 78 C PHE A 7 47.770 7.329 -44.306 1.00 1.00 C ATOM 79 O PHE A 7 46.919 7.091 -43.450 1.00 1.00 O ATOM 80 CB PHE A 7 47.537 6.381 -46.604 1.00 1.00 C ATOM 81 CG PHE A 7 47.676 5.173 -45.708 1.00 1.00 C ATOM 82 CD1 PHE A 7 48.944 4.765 -45.275 1.00 1.00 C ATOM 83 CD2 PHE A 7 46.538 4.462 -45.310 1.00 1.00 C ATOM 84 CE1 PHE A 7 49.073 3.646 -44.445 1.00 1.00 C ATOM 85 CE2 PHE A 7 46.667 3.342 -44.479 1.00 1.00 C ATOM 86 CZ PHE A 7 47.935 2.934 -44.047 1.00 1.00 C ATOM 0 H PHE A 7 48.996 8.959 -45.722 1.00 1.00 H new ATOM 0 HA PHE A 7 46.322 7.947 -45.759 1.00 1.00 H new ATOM 0 HB2 PHE A 7 46.678 6.260 -47.265 1.00 1.00 H new ATOM 0 HB3 PHE A 7 48.417 6.479 -47.240 1.00 1.00 H new ATOM 0 HD1 PHE A 7 49.822 5.314 -45.582 1.00 1.00 H new ATOM 0 HD2 PHE A 7 45.560 4.777 -45.644 1.00 1.00 H new ATOM 0 HE1 PHE A 7 50.051 3.331 -44.111 1.00 1.00 H new ATOM 0 HE2 PHE A 7 45.789 2.793 -44.172 1.00 1.00 H new ATOM 0 HZ PHE A 7 48.035 2.070 -43.407 1.00 1.00 H new ATOM 96 N ASP A 8 49.074 7.338 -44.047 1.00 1.00 N ATOM 97 CA ASP A 8 49.578 7.059 -42.708 1.00 1.00 C ATOM 98 C ASP A 8 48.943 8.000 -41.689 1.00 1.00 C ATOM 99 O ASP A 8 49.095 9.219 -41.777 1.00 1.00 O ATOM 100 CB ASP A 8 51.099 7.223 -42.678 1.00 1.00 C ATOM 101 CG ASP A 8 51.594 7.235 -41.236 1.00 1.00 C ATOM 102 OD1 ASP A 8 51.113 6.427 -40.459 1.00 1.00 O ATOM 103 OD2 ASP A 8 52.447 8.052 -40.929 1.00 1.00 O ATOM 0 H ASP A 8 49.795 7.534 -44.741 1.00 1.00 H new ATOM 0 HA ASP A 8 49.318 6.033 -42.449 1.00 1.00 H new ATOM 0 HB2 ASP A 8 51.572 6.408 -43.227 1.00 1.00 H new ATOM 0 HB3 ASP A 8 51.383 8.150 -43.176 1.00 1.00 H new ATOM 108 N ASN A 9 48.230 7.427 -40.725 1.00 1.00 N ATOM 109 CA ASN A 9 47.575 8.225 -39.696 1.00 1.00 C ATOM 110 C ASN A 9 47.706 7.553 -38.332 1.00 1.00 C ATOM 111 O ASN A 9 47.123 8.008 -37.348 1.00 1.00 O ATOM 112 CB ASN A 9 46.095 8.406 -40.038 1.00 1.00 C ATOM 113 CG ASN A 9 45.395 9.187 -38.930 1.00 1.00 C ATOM 114 OD1 ASN A 9 44.782 8.593 -38.045 1.00 1.00 O ATOM 115 ND2 ASN A 9 45.451 10.491 -38.929 1.00 1.00 N ATOM 0 H ASN A 9 48.092 6.420 -40.635 1.00 1.00 H new ATOM 0 HA ASN A 9 48.060 9.200 -39.656 1.00 1.00 H new ATOM 0 HB2 ASN A 9 45.994 8.934 -40.986 1.00 1.00 H new ATOM 0 HB3 ASN A 9 45.621 7.433 -40.164 1.00 1.00 H new ATOM 0 HD21 ASN A 9 44.985 11.021 -38.192 1.00 1.00 H new ATOM 0 HD22 ASN A 9 45.961 10.980 -39.665 1.00 1.00 H new ATOM 122 N TYR A 10 48.474 6.470 -38.283 1.00 1.00 N ATOM 123 CA TYR A 10 48.676 5.741 -37.034 1.00 1.00 C ATOM 124 C TYR A 10 47.335 5.328 -36.432 1.00 1.00 C ATOM 125 O TYR A 10 46.894 4.191 -36.599 1.00 1.00 O ATOM 126 CB TYR A 10 49.441 6.613 -36.035 1.00 1.00 C ATOM 127 CG TYR A 10 50.882 6.164 -35.975 1.00 1.00 C ATOM 128 CD1 TYR A 10 51.609 5.987 -37.159 1.00 1.00 C ATOM 129 CD2 TYR A 10 51.491 5.925 -34.737 1.00 1.00 C ATOM 130 CE1 TYR A 10 52.944 5.571 -37.104 1.00 1.00 C ATOM 131 CE2 TYR A 10 52.826 5.509 -34.683 1.00 1.00 C ATOM 132 CZ TYR A 10 53.553 5.332 -35.867 1.00 1.00 C ATOM 133 OH TYR A 10 54.870 4.922 -35.813 1.00 1.00 O ATOM 0 H TYR A 10 48.964 6.079 -39.087 1.00 1.00 H new ATOM 0 HA TYR A 10 49.257 4.844 -37.249 1.00 1.00 H new ATOM 0 HB2 TYR A 10 49.387 7.660 -36.334 1.00 1.00 H new ATOM 0 HB3 TYR A 10 48.985 6.540 -35.048 1.00 1.00 H new ATOM 0 HD1 TYR A 10 51.140 6.171 -38.114 1.00 1.00 H new ATOM 0 HD2 TYR A 10 50.931 6.062 -33.824 1.00 1.00 H new ATOM 0 HE1 TYR A 10 53.505 5.434 -38.017 1.00 1.00 H new ATOM 0 HE2 TYR A 10 53.296 5.324 -33.728 1.00 1.00 H new ATOM 0 HH TYR A 10 55.137 4.802 -34.878 1.00 1.00 H new ATOM 143 N TYR A 11 46.693 6.258 -35.733 1.00 1.00 N ATOM 144 CA TYR A 11 45.404 5.977 -35.111 1.00 1.00 C ATOM 145 C TYR A 11 45.593 5.187 -33.819 1.00 1.00 C ATOM 146 O TYR A 11 45.302 5.681 -32.730 1.00 1.00 O ATOM 147 CB TYR A 11 44.522 5.182 -36.073 1.00 1.00 C ATOM 148 CG TYR A 11 43.075 5.564 -35.863 1.00 1.00 C ATOM 149 CD1 TYR A 11 42.352 5.009 -34.801 1.00 1.00 C ATOM 150 CD2 TYR A 11 42.458 6.472 -36.731 1.00 1.00 C ATOM 151 CE1 TYR A 11 41.012 5.364 -34.606 1.00 1.00 C ATOM 152 CE2 TYR A 11 41.118 6.826 -36.536 1.00 1.00 C ATOM 153 CZ TYR A 11 40.395 6.272 -35.474 1.00 1.00 C ATOM 154 OH TYR A 11 39.073 6.621 -35.283 1.00 1.00 O ATOM 0 H TYR A 11 47.040 7.205 -35.584 1.00 1.00 H new ATOM 0 HA TYR A 11 44.921 6.925 -34.876 1.00 1.00 H new ATOM 0 HB2 TYR A 11 44.816 5.383 -37.103 1.00 1.00 H new ATOM 0 HB3 TYR A 11 44.655 4.113 -35.906 1.00 1.00 H new ATOM 0 HD1 TYR A 11 42.828 4.307 -34.132 1.00 1.00 H new ATOM 0 HD2 TYR A 11 43.016 6.899 -37.551 1.00 1.00 H new ATOM 0 HE1 TYR A 11 40.454 4.937 -33.786 1.00 1.00 H new ATOM 0 HE2 TYR A 11 40.642 7.527 -37.206 1.00 1.00 H new ATOM 0 HH TYR A 11 38.801 7.262 -35.973 1.00 1.00 H new ATOM 164 N GLY A 12 46.082 3.958 -33.950 1.00 1.00 N ATOM 165 CA GLY A 12 46.306 3.109 -32.786 1.00 1.00 C ATOM 166 C GLY A 12 47.536 3.564 -32.007 1.00 1.00 C ATOM 167 O GLY A 12 48.284 2.744 -31.475 1.00 1.00 O ATOM 0 H GLY A 12 46.329 3.531 -34.843 1.00 1.00 H new ATOM 0 HA2 GLY A 12 45.430 3.136 -32.138 1.00 1.00 H new ATOM 0 HA3 GLY A 12 46.435 2.075 -33.105 1.00 1.00 H new ATOM 171 N ALA A 13 47.740 4.876 -31.946 1.00 1.00 N ATOM 172 CA ALA A 13 48.883 5.429 -31.231 1.00 1.00 C ATOM 173 C ALA A 13 48.624 5.430 -29.727 1.00 1.00 C ATOM 174 O ALA A 13 47.888 4.588 -29.213 1.00 1.00 O ATOM 175 CB ALA A 13 49.154 6.858 -31.704 1.00 1.00 C ATOM 0 H ALA A 13 47.133 5.571 -32.380 1.00 1.00 H new ATOM 0 HA ALA A 13 49.753 4.807 -31.439 1.00 1.00 H new ATOM 0 HB1 ALA A 13 50.010 7.264 -31.164 1.00 1.00 H new ATOM 0 HB2 ALA A 13 49.368 6.853 -32.773 1.00 1.00 H new ATOM 0 HB3 ALA A 13 48.278 7.477 -31.512 1.00 1.00 H new ATOM 181 N ASP A 14 49.236 6.380 -29.028 1.00 1.00 N ATOM 182 CA ASP A 14 49.064 6.482 -27.583 1.00 1.00 C ATOM 183 C ASP A 14 47.591 6.648 -27.228 1.00 1.00 C ATOM 184 O ASP A 14 47.211 6.574 -26.060 1.00 1.00 O ATOM 185 CB ASP A 14 49.860 7.672 -27.045 1.00 1.00 C ATOM 186 CG ASP A 14 48.910 8.705 -26.447 1.00 1.00 C ATOM 187 OD1 ASP A 14 48.150 9.289 -27.202 1.00 1.00 O ATOM 188 OD2 ASP A 14 48.957 8.896 -25.243 1.00 1.00 O ATOM 0 H ASP A 14 49.851 7.085 -29.434 1.00 1.00 H new ATOM 0 HA ASP A 14 49.433 5.563 -27.127 1.00 1.00 H new ATOM 0 HB2 ASP A 14 50.568 7.335 -26.288 1.00 1.00 H new ATOM 0 HB3 ASP A 14 50.443 8.123 -27.848 1.00 1.00 H new ATOM 193 N ASN A 15 46.765 6.875 -28.244 1.00 1.00 N ATOM 194 CA ASN A 15 45.334 7.051 -28.028 1.00 1.00 C ATOM 195 C ASN A 15 44.751 5.850 -27.291 1.00 1.00 C ATOM 196 O ASN A 15 43.579 5.849 -26.917 1.00 1.00 O ATOM 197 CB ASN A 15 44.620 7.223 -29.371 1.00 1.00 C ATOM 198 CG ASN A 15 43.110 7.167 -29.169 1.00 1.00 C ATOM 199 OD1 ASN A 15 42.590 7.728 -28.205 1.00 1.00 O ATOM 200 ND2 ASN A 15 42.370 6.520 -30.028 1.00 1.00 N ATOM 0 H ASN A 15 47.059 6.941 -29.218 1.00 1.00 H new ATOM 0 HA ASN A 15 45.185 7.943 -27.420 1.00 1.00 H new ATOM 0 HB2 ASN A 15 44.900 8.175 -29.822 1.00 1.00 H new ATOM 0 HB3 ASN A 15 44.932 6.439 -30.061 1.00 1.00 H new ATOM 0 HD21 ASN A 15 41.359 6.479 -29.901 1.00 1.00 H new ATOM 0 HD22 ASN A 15 42.803 6.056 -30.826 1.00 1.00 H new ATOM 207 N GLN A 16 45.578 4.829 -27.087 1.00 1.00 N ATOM 208 CA GLN A 16 45.134 3.625 -26.393 1.00 1.00 C ATOM 209 C GLN A 16 46.190 3.163 -25.395 1.00 1.00 C ATOM 210 O GLN A 16 46.482 1.971 -25.292 1.00 1.00 O ATOM 211 CB GLN A 16 44.863 2.510 -27.405 1.00 1.00 C ATOM 212 CG GLN A 16 44.059 3.073 -28.580 1.00 1.00 C ATOM 213 CD GLN A 16 43.343 1.942 -29.310 1.00 1.00 C ATOM 214 OE1 GLN A 16 42.672 1.123 -28.682 1.00 1.00 O ATOM 215 NE2 GLN A 16 43.444 1.849 -30.608 1.00 1.00 N ATOM 0 H GLN A 16 46.552 4.811 -27.390 1.00 1.00 H new ATOM 0 HA GLN A 16 44.216 3.856 -25.853 1.00 1.00 H new ATOM 0 HB2 GLN A 16 45.804 2.091 -27.762 1.00 1.00 H new ATOM 0 HB3 GLN A 16 44.313 1.698 -26.929 1.00 1.00 H new ATOM 0 HG2 GLN A 16 43.333 3.801 -28.219 1.00 1.00 H new ATOM 0 HG3 GLN A 16 44.722 3.598 -29.267 1.00 1.00 H new ATOM 0 HE21 GLN A 16 44.001 2.529 -31.126 1.00 1.00 H new ATOM 0 HE22 GLN A 16 42.966 1.097 -31.104 1.00 1.00 H new ATOM 224 N SER A 17 46.759 4.114 -24.660 1.00 1.00 N ATOM 225 CA SER A 17 47.782 3.792 -23.671 1.00 1.00 C ATOM 226 C SER A 17 47.732 4.778 -22.509 1.00 1.00 C ATOM 227 O SER A 17 47.650 5.988 -22.719 1.00 1.00 O ATOM 228 CB SER A 17 49.166 3.836 -24.320 1.00 1.00 C ATOM 229 OG SER A 17 49.961 2.778 -23.800 1.00 1.00 O ATOM 0 H SER A 17 46.531 5.106 -24.729 1.00 1.00 H new ATOM 0 HA SER A 17 47.591 2.789 -23.290 1.00 1.00 H new ATOM 0 HB2 SER A 17 49.076 3.741 -25.402 1.00 1.00 H new ATOM 0 HB3 SER A 17 49.643 4.796 -24.122 1.00 1.00 H new ATOM 0 HG SER A 17 50.849 2.801 -24.215 1.00 1.00 H new ATOM 235 N GLU A 18 47.786 4.245 -21.288 1.00 1.00 N ATOM 236 CA GLU A 18 47.748 5.067 -20.079 1.00 1.00 C ATOM 237 C GLU A 18 46.883 6.307 -20.279 1.00 1.00 C ATOM 238 O GLU A 18 47.226 7.398 -19.821 1.00 1.00 O ATOM 239 CB GLU A 18 49.167 5.484 -19.681 1.00 1.00 C ATOM 240 CG GLU A 18 49.859 6.189 -20.851 1.00 1.00 C ATOM 241 CD GLU A 18 51.156 6.836 -20.375 1.00 1.00 C ATOM 242 OE1 GLU A 18 51.106 7.984 -19.966 1.00 1.00 O ATOM 243 OE2 GLU A 18 52.178 6.173 -20.427 1.00 1.00 O ATOM 0 H GLU A 18 47.856 3.243 -21.110 1.00 1.00 H new ATOM 0 HA GLU A 18 47.308 4.469 -19.281 1.00 1.00 H new ATOM 0 HB2 GLU A 18 49.130 6.148 -18.817 1.00 1.00 H new ATOM 0 HB3 GLU A 18 49.742 4.607 -19.384 1.00 1.00 H new ATOM 0 HG2 GLU A 18 50.070 5.473 -21.645 1.00 1.00 H new ATOM 0 HG3 GLU A 18 49.198 6.946 -21.273 1.00 1.00 H new ATOM 250 N CYS A 19 45.759 6.131 -20.964 1.00 1.00 N ATOM 251 CA CYS A 19 44.849 7.241 -21.221 1.00 1.00 C ATOM 252 C CYS A 19 44.211 7.722 -19.922 1.00 1.00 C ATOM 253 O CYS A 19 44.386 8.873 -19.521 1.00 1.00 O ATOM 254 CB CYS A 19 43.756 6.805 -22.197 1.00 1.00 C ATOM 255 SG CYS A 19 42.803 8.251 -22.722 1.00 1.00 S ATOM 0 H CYS A 19 45.457 5.236 -21.349 1.00 1.00 H new ATOM 0 HA CYS A 19 45.420 8.060 -21.658 1.00 1.00 H new ATOM 0 HB2 CYS A 19 44.201 6.316 -23.063 1.00 1.00 H new ATOM 0 HB3 CYS A 19 43.099 6.076 -21.722 1.00 1.00 H new ATOM 0 HG CYS A 19 41.875 7.881 -23.553 1.00 1.00 H new ATOM 261 N GLU A 20 43.470 6.833 -19.267 1.00 1.00 N ATOM 262 CA GLU A 20 42.811 7.179 -18.013 1.00 1.00 C ATOM 263 C GLU A 20 42.867 6.008 -17.038 1.00 1.00 C ATOM 264 O GLU A 20 41.850 5.377 -16.750 1.00 1.00 O ATOM 265 CB GLU A 20 41.351 7.555 -18.277 1.00 1.00 C ATOM 266 CG GLU A 20 41.288 8.620 -19.373 1.00 1.00 C ATOM 267 CD GLU A 20 39.866 9.156 -19.498 1.00 1.00 C ATOM 268 OE1 GLU A 20 38.951 8.448 -19.111 1.00 1.00 O ATOM 269 OE2 GLU A 20 39.712 10.267 -19.980 1.00 1.00 O ATOM 0 H GLU A 20 43.312 5.875 -19.581 1.00 1.00 H new ATOM 0 HA GLU A 20 43.332 8.029 -17.573 1.00 1.00 H new ATOM 0 HB2 GLU A 20 40.786 6.673 -18.579 1.00 1.00 H new ATOM 0 HB3 GLU A 20 40.890 7.931 -17.363 1.00 1.00 H new ATOM 0 HG2 GLU A 20 41.973 9.435 -19.140 1.00 1.00 H new ATOM 0 HG3 GLU A 20 41.610 8.195 -20.324 1.00 1.00 H new ATOM 276 N TYR A 21 44.063 5.724 -16.531 1.00 1.00 N ATOM 277 CA TYR A 21 44.241 4.627 -15.587 1.00 1.00 C ATOM 278 C TYR A 21 45.366 4.943 -14.607 1.00 1.00 C ATOM 279 O TYR A 21 45.875 4.054 -13.924 1.00 1.00 O ATOM 280 CB TYR A 21 44.566 3.336 -16.341 1.00 1.00 C ATOM 281 CG TYR A 21 43.609 3.173 -17.498 1.00 1.00 C ATOM 282 CD1 TYR A 21 42.359 2.577 -17.293 1.00 1.00 C ATOM 283 CD2 TYR A 21 43.971 3.619 -18.775 1.00 1.00 C ATOM 284 CE1 TYR A 21 41.472 2.425 -18.365 1.00 1.00 C ATOM 285 CE2 TYR A 21 43.084 3.467 -19.846 1.00 1.00 C ATOM 286 CZ TYR A 21 41.834 2.871 -19.643 1.00 1.00 C ATOM 287 OH TYR A 21 40.960 2.721 -20.698 1.00 1.00 O ATOM 0 H TYR A 21 44.917 6.234 -16.756 1.00 1.00 H new ATOM 0 HA TYR A 21 43.313 4.497 -15.030 1.00 1.00 H new ATOM 0 HB2 TYR A 21 45.593 3.364 -16.706 1.00 1.00 H new ATOM 0 HB3 TYR A 21 44.490 2.481 -15.669 1.00 1.00 H new ATOM 0 HD1 TYR A 21 42.079 2.235 -16.308 1.00 1.00 H new ATOM 0 HD2 TYR A 21 44.935 4.080 -18.933 1.00 1.00 H new ATOM 0 HE1 TYR A 21 40.508 1.964 -18.207 1.00 1.00 H new ATOM 0 HE2 TYR A 21 43.364 3.810 -20.831 1.00 1.00 H new ATOM 0 HH TYR A 21 41.366 3.084 -21.513 1.00 1.00 H new ATOM 297 N THR A 22 45.749 6.214 -14.543 1.00 1.00 N ATOM 298 CA THR A 22 46.815 6.637 -13.644 1.00 1.00 C ATOM 299 C THR A 22 46.926 8.157 -13.622 1.00 1.00 C ATOM 300 O THR A 22 47.037 8.767 -12.558 1.00 1.00 O ATOM 301 CB THR A 22 48.147 6.033 -14.094 1.00 1.00 C ATOM 302 OG1 THR A 22 49.208 6.903 -13.725 1.00 1.00 O ATOM 303 CG2 THR A 22 48.140 5.849 -15.612 1.00 1.00 C ATOM 0 H THR A 22 45.340 6.964 -15.099 1.00 1.00 H new ATOM 0 HA THR A 22 46.578 6.287 -12.639 1.00 1.00 H new ATOM 0 HB THR A 22 48.287 5.064 -13.614 1.00 1.00 H new ATOM 0 HG1 THR A 22 50.062 6.517 -14.011 1.00 1.00 H new ATOM 0 HG21 THR A 22 49.089 5.419 -15.931 1.00 1.00 H new ATOM 0 HG22 THR A 22 47.326 5.181 -15.894 1.00 1.00 H new ATOM 0 HG23 THR A 22 48.000 6.816 -16.095 1.00 1.00 H new ATOM 311 N ASP A 23 46.895 8.764 -14.804 1.00 1.00 N ATOM 312 CA ASP A 23 46.993 10.215 -14.909 1.00 1.00 C ATOM 313 C ASP A 23 45.755 10.881 -14.318 1.00 1.00 C ATOM 314 O ASP A 23 45.852 11.900 -13.636 1.00 1.00 O ATOM 315 CB ASP A 23 47.144 10.623 -16.376 1.00 1.00 C ATOM 316 CG ASP A 23 48.358 11.529 -16.543 1.00 1.00 C ATOM 317 OD1 ASP A 23 49.465 11.034 -16.403 1.00 1.00 O ATOM 318 OD2 ASP A 23 48.165 12.704 -16.807 1.00 1.00 O ATOM 0 H ASP A 23 46.804 8.278 -15.696 1.00 1.00 H new ATOM 0 HA ASP A 23 47.869 10.542 -14.349 1.00 1.00 H new ATOM 0 HB2 ASP A 23 47.254 9.736 -16.999 1.00 1.00 H new ATOM 0 HB3 ASP A 23 46.245 11.140 -16.713 1.00 1.00 H new ATOM 323 N TRP A 24 44.591 10.296 -14.584 1.00 1.00 N ATOM 324 CA TRP A 24 43.339 10.842 -14.073 1.00 1.00 C ATOM 325 C TRP A 24 43.351 10.873 -12.548 1.00 1.00 C ATOM 326 O TRP A 24 42.736 11.744 -11.932 1.00 1.00 O ATOM 327 CB TRP A 24 42.162 9.993 -14.556 1.00 1.00 C ATOM 328 CG TRP A 24 41.969 8.835 -13.631 1.00 1.00 C ATOM 329 CD1 TRP A 24 42.409 7.577 -13.859 1.00 1.00 C ATOM 330 CD2 TRP A 24 41.298 8.806 -12.338 1.00 1.00 C ATOM 331 NE1 TRP A 24 42.051 6.776 -12.790 1.00 1.00 N ATOM 332 CE2 TRP A 24 41.364 7.488 -11.827 1.00 1.00 C ATOM 333 CE3 TRP A 24 40.644 9.785 -11.567 1.00 1.00 C ATOM 334 CZ2 TRP A 24 40.802 7.153 -10.593 1.00 1.00 C ATOM 335 CZ3 TRP A 24 40.077 9.450 -10.326 1.00 1.00 C ATOM 336 CH2 TRP A 24 40.157 8.138 -9.841 1.00 1.00 C ATOM 0 H TRP A 24 44.489 9.451 -15.146 1.00 1.00 H new ATOM 0 HA TRP A 24 43.231 11.860 -14.447 1.00 1.00 H new ATOM 0 HB2 TRP A 24 41.255 10.597 -14.593 1.00 1.00 H new ATOM 0 HB3 TRP A 24 42.349 9.636 -15.569 1.00 1.00 H new ATOM 0 HD1 TRP A 24 42.952 7.251 -14.734 1.00 1.00 H new ATOM 0 HE1 TRP A 24 42.268 5.782 -12.721 1.00 1.00 H new ATOM 0 HE3 TRP A 24 40.578 10.800 -11.931 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 40.866 6.140 -10.223 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 39.576 10.208 -9.742 1.00 1.00 H new ATOM 0 HH2 TRP A 24 39.720 7.888 -8.886 1.00 1.00 H new ATOM 347 N LYS A 25 44.056 9.918 -11.948 1.00 1.00 N ATOM 348 CA LYS A 25 44.142 9.842 -10.492 1.00 1.00 C ATOM 349 C LYS A 25 44.287 11.236 -9.890 1.00 1.00 C ATOM 350 O LYS A 25 45.279 11.926 -10.127 1.00 1.00 O ATOM 351 CB LYS A 25 45.339 8.980 -10.085 1.00 1.00 C ATOM 352 CG LYS A 25 45.048 8.305 -8.744 1.00 1.00 C ATOM 353 CD LYS A 25 46.333 7.678 -8.198 1.00 1.00 C ATOM 354 CE LYS A 25 46.909 6.710 -9.233 1.00 1.00 C ATOM 355 NZ LYS A 25 47.805 5.732 -8.554 1.00 1.00 N ATOM 0 H LYS A 25 44.573 9.191 -12.443 1.00 1.00 H new ATOM 0 HA LYS A 25 43.224 9.391 -10.115 1.00 1.00 H new ATOM 0 HB2 LYS A 25 45.535 8.227 -10.848 1.00 1.00 H new ATOM 0 HB3 LYS A 25 46.235 9.596 -10.007 1.00 1.00 H new ATOM 0 HG2 LYS A 25 44.657 9.035 -8.035 1.00 1.00 H new ATOM 0 HG3 LYS A 25 44.282 7.540 -8.869 1.00 1.00 H new ATOM 0 HD2 LYS A 25 47.061 8.456 -7.968 1.00 1.00 H new ATOM 0 HD3 LYS A 25 46.126 7.150 -7.267 1.00 1.00 H new ATOM 0 HE2 LYS A 25 46.102 6.186 -9.745 1.00 1.00 H new ATOM 0 HE3 LYS A 25 47.464 7.261 -9.993 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 48.197 5.074 -9.257 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 48.582 6.240 -8.085 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 47.263 5.198 -7.845 1.00 1.00 H new ATOM 369 N SER A 26 43.291 11.643 -9.109 1.00 1.00 N ATOM 370 CA SER A 26 43.318 12.956 -8.478 1.00 1.00 C ATOM 371 C SER A 26 44.285 12.963 -7.299 1.00 1.00 C ATOM 372 O SER A 26 45.417 13.433 -7.413 1.00 1.00 O ATOM 373 CB SER A 26 41.918 13.330 -7.993 1.00 1.00 C ATOM 374 OG SER A 26 41.165 13.844 -9.084 1.00 1.00 O ATOM 0 H SER A 26 42.462 11.087 -8.900 1.00 1.00 H new ATOM 0 HA SER A 26 43.655 13.686 -9.214 1.00 1.00 H new ATOM 0 HB2 SER A 26 41.421 12.456 -7.573 1.00 1.00 H new ATOM 0 HB3 SER A 26 41.982 14.073 -7.198 1.00 1.00 H new ATOM 0 HG SER A 26 40.246 13.507 -9.035 1.00 1.00 H new ATOM 380 N SER A 27 43.831 12.437 -6.166 1.00 1.00 N ATOM 381 CA SER A 27 44.665 12.385 -4.971 1.00 1.00 C ATOM 382 C SER A 27 44.706 13.746 -4.285 1.00 1.00 C ATOM 383 O SER A 27 45.137 13.860 -3.138 1.00 1.00 O ATOM 384 CB SER A 27 46.084 11.955 -5.343 1.00 1.00 C ATOM 385 OG SER A 27 46.879 13.111 -5.569 1.00 1.00 O ATOM 0 H SER A 27 42.897 12.043 -6.050 1.00 1.00 H new ATOM 0 HA SER A 27 44.234 11.658 -4.282 1.00 1.00 H new ATOM 0 HB2 SER A 27 46.516 11.353 -4.543 1.00 1.00 H new ATOM 0 HB3 SER A 27 46.065 11.332 -6.237 1.00 1.00 H new ATOM 0 HG SER A 27 46.519 13.612 -6.331 1.00 1.00 H new ATOM 391 N GLY A 28 44.257 14.776 -4.995 1.00 1.00 N ATOM 392 CA GLY A 28 44.250 16.126 -4.440 1.00 1.00 C ATOM 393 C GLY A 28 43.168 16.981 -5.093 1.00 1.00 C ATOM 394 O GLY A 28 43.177 18.205 -4.975 1.00 1.00 O ATOM 0 H GLY A 28 43.896 14.704 -5.946 1.00 1.00 H new ATOM 0 HA2 GLY A 28 44.082 16.080 -3.364 1.00 1.00 H new ATOM 0 HA3 GLY A 28 45.225 16.590 -4.590 1.00 1.00 H new ATOM 398 N ALA A 29 42.237 16.326 -5.781 1.00 1.00 N ATOM 399 CA ALA A 29 41.153 17.039 -6.447 1.00 1.00 C ATOM 400 C ALA A 29 39.869 16.948 -5.630 1.00 1.00 C ATOM 401 O ALA A 29 39.402 17.944 -5.077 1.00 1.00 O ATOM 402 CB ALA A 29 40.917 16.450 -7.839 1.00 1.00 C ATOM 0 H ALA A 29 42.211 15.312 -5.891 1.00 1.00 H new ATOM 0 HA ALA A 29 41.437 18.087 -6.540 1.00 1.00 H new ATOM 0 HB1 ALA A 29 40.106 16.988 -8.329 1.00 1.00 H new ATOM 0 HB2 ALA A 29 41.826 16.544 -8.433 1.00 1.00 H new ATOM 0 HB3 ALA A 29 40.651 15.397 -7.748 1.00 1.00 H new ATOM 408 N LEU A 30 39.304 15.748 -5.558 1.00 1.00 N ATOM 409 CA LEU A 30 38.073 15.538 -4.804 1.00 1.00 C ATOM 410 C LEU A 30 38.377 14.931 -3.439 1.00 1.00 C ATOM 411 O LEU A 30 37.467 14.609 -2.676 1.00 1.00 O ATOM 412 CB LEU A 30 37.137 14.610 -5.580 1.00 1.00 C ATOM 413 CG LEU A 30 37.841 13.278 -5.846 1.00 1.00 C ATOM 414 CD1 LEU A 30 37.057 12.144 -5.182 1.00 1.00 C ATOM 415 CD2 LEU A 30 37.913 13.032 -7.354 1.00 1.00 C ATOM 0 H LEU A 30 39.675 14.911 -6.009 1.00 1.00 H new ATOM 0 HA LEU A 30 37.589 16.504 -4.659 1.00 1.00 H new ATOM 0 HB2 LEU A 30 36.222 14.442 -5.012 1.00 1.00 H new ATOM 0 HB3 LEU A 30 36.847 15.074 -6.523 1.00 1.00 H new ATOM 0 HG LEU A 30 38.850 13.312 -5.434 1.00 1.00 H new ATOM 0 HD11 LEU A 30 37.559 11.195 -5.372 1.00 1.00 H new ATOM 0 HD12 LEU A 30 37.005 12.318 -4.107 1.00 1.00 H new ATOM 0 HD13 LEU A 30 36.048 12.110 -5.593 1.00 1.00 H new ATOM 0 HD21 LEU A 30 38.415 12.083 -7.544 1.00 1.00 H new ATOM 0 HD22 LEU A 30 36.904 12.998 -7.766 1.00 1.00 H new ATOM 0 HD23 LEU A 30 38.472 13.839 -7.828 1.00 1.00 H new ATOM 427 N ILE A 31 39.661 14.781 -3.135 1.00 1.00 N ATOM 428 CA ILE A 31 40.069 14.213 -1.856 1.00 1.00 C ATOM 429 C ILE A 31 39.658 15.130 -0.700 1.00 1.00 C ATOM 430 O ILE A 31 39.201 14.653 0.338 1.00 1.00 O ATOM 431 CB ILE A 31 41.590 13.960 -1.857 1.00 1.00 C ATOM 432 CG1 ILE A 31 41.845 12.455 -1.972 1.00 1.00 C ATOM 433 CG2 ILE A 31 42.246 14.478 -0.568 1.00 1.00 C ATOM 434 CD1 ILE A 31 41.209 11.925 -3.259 1.00 1.00 C ATOM 0 H ILE A 31 40.431 15.042 -3.751 1.00 1.00 H new ATOM 0 HA ILE A 31 39.562 13.259 -1.713 1.00 1.00 H new ATOM 0 HB ILE A 31 42.025 14.493 -2.703 1.00 1.00 H new ATOM 0 HG12 ILE A 31 42.917 12.256 -1.975 1.00 1.00 H new ATOM 0 HG13 ILE A 31 41.428 11.938 -1.108 1.00 1.00 H new ATOM 0 HG21 ILE A 31 43.318 14.284 -0.602 1.00 1.00 H new ATOM 0 HG22 ILE A 31 42.074 15.551 -0.478 1.00 1.00 H new ATOM 0 HG23 ILE A 31 41.812 13.968 0.292 1.00 1.00 H new ATOM 0 HD11 ILE A 31 41.391 10.853 -3.340 1.00 1.00 H new ATOM 0 HD12 ILE A 31 40.135 12.110 -3.237 1.00 1.00 H new ATOM 0 HD13 ILE A 31 41.647 12.434 -4.118 1.00 1.00 H new ATOM 446 N PRO A 32 39.806 16.425 -0.853 1.00 1.00 N ATOM 447 CA PRO A 32 39.435 17.402 0.214 1.00 1.00 C ATOM 448 C PRO A 32 37.956 17.314 0.583 1.00 1.00 C ATOM 449 O PRO A 32 37.601 17.270 1.760 1.00 1.00 O ATOM 450 CB PRO A 32 39.763 18.772 -0.392 1.00 1.00 C ATOM 451 CG PRO A 32 40.680 18.501 -1.538 1.00 1.00 C ATOM 452 CD PRO A 32 40.338 17.103 -2.044 1.00 1.00 C ATOM 0 HA PRO A 32 39.976 17.208 1.140 1.00 1.00 H new ATOM 0 HB2 PRO A 32 38.858 19.278 -0.727 1.00 1.00 H new ATOM 0 HB3 PRO A 32 40.238 19.421 0.344 1.00 1.00 H new ATOM 0 HG2 PRO A 32 40.546 19.242 -2.326 1.00 1.00 H new ATOM 0 HG3 PRO A 32 41.722 18.555 -1.223 1.00 1.00 H new ATOM 0 HD2 PRO A 32 39.603 17.136 -2.848 1.00 1.00 H new ATOM 0 HD3 PRO A 32 41.217 16.592 -2.437 1.00 1.00 H new ATOM 460 N ALA A 33 37.098 17.289 -0.432 1.00 1.00 N ATOM 461 CA ALA A 33 35.660 17.209 -0.200 1.00 1.00 C ATOM 462 C ALA A 33 35.340 16.087 0.783 1.00 1.00 C ATOM 463 O ALA A 33 34.396 16.185 1.565 1.00 1.00 O ATOM 464 CB ALA A 33 34.930 16.960 -1.520 1.00 1.00 C ATOM 0 H ALA A 33 37.370 17.323 -1.415 1.00 1.00 H new ATOM 0 HA ALA A 33 35.325 18.155 0.224 1.00 1.00 H new ATOM 0 HB1 ALA A 33 33.857 16.902 -1.337 1.00 1.00 H new ATOM 0 HB2 ALA A 33 35.137 17.778 -2.210 1.00 1.00 H new ATOM 0 HB3 ALA A 33 35.275 16.022 -1.955 1.00 1.00 H new ATOM 470 N ILE A 34 36.134 15.023 0.737 1.00 1.00 N ATOM 471 CA ILE A 34 35.925 13.890 1.631 1.00 1.00 C ATOM 472 C ILE A 34 36.787 14.037 2.881 1.00 1.00 C ATOM 473 O ILE A 34 36.391 13.626 3.972 1.00 1.00 O ATOM 474 CB ILE A 34 36.280 12.577 0.919 1.00 1.00 C ATOM 475 CG1 ILE A 34 35.237 12.250 -0.165 1.00 1.00 C ATOM 476 CG2 ILE A 34 36.310 11.442 1.943 1.00 1.00 C ATOM 477 CD1 ILE A 34 35.629 12.921 -1.486 1.00 1.00 C ATOM 0 H ILE A 34 36.921 14.921 0.097 1.00 1.00 H new ATOM 0 HA ILE A 34 34.874 13.870 1.919 1.00 1.00 H new ATOM 0 HB ILE A 34 37.257 12.686 0.447 1.00 1.00 H new ATOM 0 HG12 ILE A 34 35.168 11.171 -0.302 1.00 1.00 H new ATOM 0 HG13 ILE A 34 34.252 12.595 0.150 1.00 1.00 H new ATOM 0 HG21 ILE A 34 36.562 10.507 1.443 1.00 1.00 H new ATOM 0 HG22 ILE A 34 37.059 11.659 2.705 1.00 1.00 H new ATOM 0 HG23 ILE A 34 35.331 11.350 2.413 1.00 1.00 H new ATOM 0 HD11 ILE A 34 34.886 12.685 -2.248 1.00 1.00 H new ATOM 0 HD12 ILE A 34 35.675 14.001 -1.346 1.00 1.00 H new ATOM 0 HD13 ILE A 34 36.605 12.555 -1.805 1.00 1.00 H new ATOM 489 N TYR A 35 37.965 14.630 2.717 1.00 1.00 N ATOM 490 CA TYR A 35 38.871 14.828 3.842 1.00 1.00 C ATOM 491 C TYR A 35 38.423 16.022 4.681 1.00 1.00 C ATOM 492 O TYR A 35 38.128 15.883 5.868 1.00 1.00 O ATOM 493 CB TYR A 35 40.294 15.065 3.334 1.00 1.00 C ATOM 494 CG TYR A 35 41.283 14.459 4.301 1.00 1.00 C ATOM 495 CD1 TYR A 35 41.596 15.125 5.492 1.00 1.00 C ATOM 496 CD2 TYR A 35 41.887 13.231 4.006 1.00 1.00 C ATOM 497 CE1 TYR A 35 42.512 14.562 6.388 1.00 1.00 C ATOM 498 CE2 TYR A 35 42.803 12.668 4.903 1.00 1.00 C ATOM 499 CZ TYR A 35 43.115 13.334 6.093 1.00 1.00 C ATOM 500 OH TYR A 35 44.018 12.780 6.977 1.00 1.00 O ATOM 0 H TYR A 35 38.312 14.979 1.824 1.00 1.00 H new ATOM 0 HA TYR A 35 38.854 13.932 4.462 1.00 1.00 H new ATOM 0 HB2 TYR A 35 40.417 14.621 2.346 1.00 1.00 H new ATOM 0 HB3 TYR A 35 40.480 16.134 3.229 1.00 1.00 H new ATOM 0 HD1 TYR A 35 41.131 16.073 5.719 1.00 1.00 H new ATOM 0 HD2 TYR A 35 41.646 12.718 3.087 1.00 1.00 H new ATOM 0 HE1 TYR A 35 42.754 15.075 7.307 1.00 1.00 H new ATOM 0 HE2 TYR A 35 43.268 11.720 4.676 1.00 1.00 H new ATOM 0 HH TYR A 35 44.342 11.926 6.621 1.00 1.00 H new ATOM 510 N MET A 36 38.370 17.191 4.053 1.00 1.00 N ATOM 511 CA MET A 36 37.951 18.404 4.746 1.00 1.00 C ATOM 512 C MET A 36 36.652 18.163 5.504 1.00 1.00 C ATOM 513 O MET A 36 36.552 18.458 6.696 1.00 1.00 O ATOM 514 CB MET A 36 37.751 19.537 3.737 1.00 1.00 C ATOM 515 CG MET A 36 37.185 20.770 4.450 1.00 1.00 C ATOM 516 SD MET A 36 37.269 22.206 3.348 1.00 1.00 S ATOM 517 CE MET A 36 39.071 22.348 3.268 1.00 1.00 C ATOM 0 H MET A 36 38.610 17.325 3.071 1.00 1.00 H new ATOM 0 HA MET A 36 38.729 18.683 5.457 1.00 1.00 H new ATOM 0 HB2 MET A 36 38.700 19.784 3.260 1.00 1.00 H new ATOM 0 HB3 MET A 36 37.071 19.218 2.947 1.00 1.00 H new ATOM 0 HG2 MET A 36 36.152 20.588 4.747 1.00 1.00 H new ATOM 0 HG3 MET A 36 37.749 20.966 5.362 1.00 1.00 H new ATOM 0 HE1 MET A 36 39.347 23.392 3.119 1.00 1.00 H new ATOM 0 HE2 MET A 36 39.506 21.987 4.200 1.00 1.00 H new ATOM 0 HE3 MET A 36 39.447 21.751 2.437 1.00 1.00 H new ATOM 527 N LEU A 37 35.655 17.632 4.804 1.00 1.00 N ATOM 528 CA LEU A 37 34.362 17.362 5.420 1.00 1.00 C ATOM 529 C LEU A 37 34.458 16.188 6.391 1.00 1.00 C ATOM 530 O LEU A 37 33.442 15.623 6.796 1.00 1.00 O ATOM 531 CB LEU A 37 33.325 17.050 4.338 1.00 1.00 C ATOM 532 CG LEU A 37 33.353 18.142 3.268 1.00 1.00 C ATOM 533 CD1 LEU A 37 32.309 17.834 2.193 1.00 1.00 C ATOM 534 CD2 LEU A 37 33.034 19.495 3.910 1.00 1.00 C ATOM 0 H LEU A 37 35.717 17.382 3.817 1.00 1.00 H new ATOM 0 HA LEU A 37 34.055 18.248 5.975 1.00 1.00 H new ATOM 0 HB2 LEU A 37 33.536 16.080 3.887 1.00 1.00 H new ATOM 0 HB3 LEU A 37 32.331 16.986 4.781 1.00 1.00 H new ATOM 0 HG LEU A 37 34.344 18.177 2.814 1.00 1.00 H new ATOM 0 HD11 LEU A 37 32.330 18.613 1.431 1.00 1.00 H new ATOM 0 HD12 LEU A 37 32.533 16.871 1.734 1.00 1.00 H new ATOM 0 HD13 LEU A 37 31.319 17.798 2.647 1.00 1.00 H new ATOM 0 HD21 LEU A 37 33.054 20.273 3.147 1.00 1.00 H new ATOM 0 HD22 LEU A 37 32.044 19.458 4.365 1.00 1.00 H new ATOM 0 HD23 LEU A 37 33.777 19.718 4.676 1.00 1.00 H new ATOM 546 N VAL A 38 35.684 15.828 6.761 1.00 1.00 N ATOM 547 CA VAL A 38 35.897 14.720 7.687 1.00 1.00 C ATOM 548 C VAL A 38 36.953 15.087 8.724 1.00 1.00 C ATOM 549 O VAL A 38 37.101 14.408 9.740 1.00 1.00 O ATOM 550 CB VAL A 38 36.344 13.475 6.919 1.00 1.00 C ATOM 551 CG1 VAL A 38 36.894 12.439 7.900 1.00 1.00 C ATOM 552 CG2 VAL A 38 35.147 12.882 6.171 1.00 1.00 C ATOM 0 H VAL A 38 36.538 16.283 6.437 1.00 1.00 H new ATOM 0 HA VAL A 38 34.957 14.512 8.198 1.00 1.00 H new ATOM 0 HB VAL A 38 37.122 13.748 6.206 1.00 1.00 H new ATOM 0 HG11 VAL A 38 37.212 11.552 7.352 1.00 1.00 H new ATOM 0 HG12 VAL A 38 37.745 12.860 8.435 1.00 1.00 H new ATOM 0 HG13 VAL A 38 36.117 12.165 8.614 1.00 1.00 H new ATOM 0 HG21 VAL A 38 35.464 11.995 5.623 1.00 1.00 H new ATOM 0 HG22 VAL A 38 34.370 12.609 6.885 1.00 1.00 H new ATOM 0 HG23 VAL A 38 34.754 13.619 5.471 1.00 1.00 H new ATOM 562 N PHE A 39 37.685 16.165 8.461 1.00 1.00 N ATOM 563 CA PHE A 39 38.725 16.612 9.381 1.00 1.00 C ATOM 564 C PHE A 39 38.104 17.159 10.663 1.00 1.00 C ATOM 565 O PHE A 39 38.787 17.318 11.674 1.00 1.00 O ATOM 566 CB PHE A 39 39.577 17.698 8.720 1.00 1.00 C ATOM 567 CG PHE A 39 40.679 18.114 9.663 1.00 1.00 C ATOM 568 CD1 PHE A 39 40.435 19.083 10.643 1.00 1.00 C ATOM 569 CD2 PHE A 39 41.947 17.529 9.558 1.00 1.00 C ATOM 570 CE1 PHE A 39 41.457 19.468 11.518 1.00 1.00 C ATOM 571 CE2 PHE A 39 42.971 17.914 10.433 1.00 1.00 C ATOM 572 CZ PHE A 39 42.725 18.884 11.413 1.00 1.00 C ATOM 0 H PHE A 39 37.579 16.741 7.626 1.00 1.00 H new ATOM 0 HA PHE A 39 39.356 15.759 9.630 1.00 1.00 H new ATOM 0 HB2 PHE A 39 40.002 17.325 7.788 1.00 1.00 H new ATOM 0 HB3 PHE A 39 38.957 18.558 8.466 1.00 1.00 H new ATOM 0 HD1 PHE A 39 39.457 19.534 10.724 1.00 1.00 H new ATOM 0 HD2 PHE A 39 42.135 16.781 8.802 1.00 1.00 H new ATOM 0 HE1 PHE A 39 41.268 20.216 12.274 1.00 1.00 H new ATOM 0 HE2 PHE A 39 43.949 17.463 10.352 1.00 1.00 H new ATOM 0 HZ PHE A 39 43.514 19.182 12.088 1.00 1.00 H new ATOM 582 N LEU A 40 36.807 17.444 10.611 1.00 1.00 N ATOM 583 CA LEU A 40 36.103 17.972 11.773 1.00 1.00 C ATOM 584 C LEU A 40 34.756 17.277 11.943 1.00 1.00 C ATOM 585 O LEU A 40 34.054 17.496 12.930 1.00 1.00 O ATOM 586 CB LEU A 40 35.885 19.478 11.613 1.00 1.00 C ATOM 587 CG LEU A 40 35.228 19.757 10.260 1.00 1.00 C ATOM 588 CD1 LEU A 40 34.019 20.673 10.459 1.00 1.00 C ATOM 589 CD2 LEU A 40 36.238 20.441 9.335 1.00 1.00 C ATOM 0 H LEU A 40 36.226 17.319 9.782 1.00 1.00 H new ATOM 0 HA LEU A 40 36.711 17.786 12.658 1.00 1.00 H new ATOM 0 HB2 LEU A 40 35.255 19.853 12.420 1.00 1.00 H new ATOM 0 HB3 LEU A 40 36.837 20.004 11.682 1.00 1.00 H new ATOM 0 HG LEU A 40 34.903 18.817 9.813 1.00 1.00 H new ATOM 0 HD11 LEU A 40 33.551 20.872 9.495 1.00 1.00 H new ATOM 0 HD12 LEU A 40 33.300 20.188 11.119 1.00 1.00 H new ATOM 0 HD13 LEU A 40 34.344 21.613 10.905 1.00 1.00 H new ATOM 0 HD21 LEU A 40 35.771 20.640 8.370 1.00 1.00 H new ATOM 0 HD22 LEU A 40 36.563 21.381 9.782 1.00 1.00 H new ATOM 0 HD23 LEU A 40 37.100 19.790 9.193 1.00 1.00 H new ATOM 601 N LEU A 41 34.401 16.440 10.974 1.00 1.00 N ATOM 602 CA LEU A 41 33.135 15.719 11.026 1.00 1.00 C ATOM 603 C LEU A 41 33.323 14.271 10.582 1.00 1.00 C ATOM 604 O LEU A 41 32.971 13.906 9.461 1.00 1.00 O ATOM 605 CB LEU A 41 32.109 16.401 10.120 1.00 1.00 C ATOM 606 CG LEU A 41 31.529 17.624 10.833 1.00 1.00 C ATOM 607 CD1 LEU A 41 31.095 18.662 9.796 1.00 1.00 C ATOM 608 CD2 LEU A 41 30.318 17.200 11.667 1.00 1.00 C ATOM 0 H LEU A 41 34.968 16.245 10.149 1.00 1.00 H new ATOM 0 HA LEU A 41 32.776 15.728 12.055 1.00 1.00 H new ATOM 0 HB2 LEU A 41 32.579 16.702 9.184 1.00 1.00 H new ATOM 0 HB3 LEU A 41 31.311 15.703 9.867 1.00 1.00 H new ATOM 0 HG LEU A 41 32.287 18.058 11.485 1.00 1.00 H new ATOM 0 HD11 LEU A 41 30.682 19.533 10.304 1.00 1.00 H new ATOM 0 HD12 LEU A 41 31.957 18.964 9.201 1.00 1.00 H new ATOM 0 HD13 LEU A 41 30.337 18.229 9.143 1.00 1.00 H new ATOM 0 HD21 LEU A 41 29.904 18.070 12.176 1.00 1.00 H new ATOM 0 HD22 LEU A 41 29.560 16.767 11.014 1.00 1.00 H new ATOM 0 HD23 LEU A 41 30.626 16.461 12.406 1.00 1.00 H new ATOM 620 N GLY A 42 33.878 13.451 11.468 1.00 1.00 N ATOM 621 CA GLY A 42 34.106 12.046 11.154 1.00 1.00 C ATOM 622 C GLY A 42 35.201 11.460 12.039 1.00 1.00 C ATOM 623 O GLY A 42 35.314 10.243 12.180 1.00 1.00 O ATOM 0 H GLY A 42 34.176 13.732 12.402 1.00 1.00 H new ATOM 0 HA2 GLY A 42 33.182 11.484 11.292 1.00 1.00 H new ATOM 0 HA3 GLY A 42 34.387 11.945 10.106 1.00 1.00 H new ATOM 627 N THR A 43 36.006 12.335 12.632 1.00 1.00 N ATOM 628 CA THR A 43 37.089 11.894 13.504 1.00 1.00 C ATOM 629 C THR A 43 37.158 12.767 14.751 1.00 1.00 C ATOM 630 O THR A 43 37.308 12.265 15.865 1.00 1.00 O ATOM 631 CB THR A 43 38.423 11.961 12.756 1.00 1.00 C ATOM 632 OG1 THR A 43 39.446 11.397 13.566 1.00 1.00 O ATOM 633 CG2 THR A 43 38.763 13.420 12.444 1.00 1.00 C ATOM 0 H THR A 43 35.930 13.347 12.526 1.00 1.00 H new ATOM 0 HA THR A 43 36.894 10.865 13.804 1.00 1.00 H new ATOM 0 HB THR A 43 38.346 11.401 11.824 1.00 1.00 H new ATOM 0 HG1 THR A 43 40.301 11.437 13.089 1.00 1.00 H new ATOM 0 HG21 THR A 43 39.713 13.466 11.911 1.00 1.00 H new ATOM 0 HG22 THR A 43 37.978 13.852 11.824 1.00 1.00 H new ATOM 0 HG23 THR A 43 38.841 13.982 13.374 1.00 1.00 H new ATOM 641 N THR A 44 37.041 14.076 14.557 1.00 1.00 N ATOM 642 CA THR A 44 37.088 15.011 15.674 1.00 1.00 C ATOM 643 C THR A 44 36.080 14.606 16.745 1.00 1.00 C ATOM 644 O THR A 44 36.075 15.156 17.846 1.00 1.00 O ATOM 645 CB THR A 44 36.777 16.426 15.179 1.00 1.00 C ATOM 646 OG1 THR A 44 37.907 16.940 14.487 1.00 1.00 O ATOM 647 CG2 THR A 44 36.450 17.332 16.367 1.00 1.00 C ATOM 0 H THR A 44 36.914 14.511 13.643 1.00 1.00 H new ATOM 0 HA THR A 44 38.088 14.992 16.107 1.00 1.00 H new ATOM 0 HB THR A 44 35.919 16.393 14.508 1.00 1.00 H new ATOM 0 HG1 THR A 44 37.934 17.915 14.584 1.00 1.00 H new ATOM 0 HG21 THR A 44 36.230 18.337 16.008 1.00 1.00 H new ATOM 0 HG22 THR A 44 35.583 16.938 16.897 1.00 1.00 H new ATOM 0 HG23 THR A 44 37.304 17.367 17.044 1.00 1.00 H new ATOM 655 N GLY A 45 35.232 13.637 16.412 1.00 1.00 N ATOM 656 CA GLY A 45 34.219 13.156 17.347 1.00 1.00 C ATOM 657 C GLY A 45 32.818 13.500 16.855 1.00 1.00 C ATOM 658 O GLY A 45 31.826 13.190 17.514 1.00 1.00 O ATOM 0 H GLY A 45 35.226 13.171 15.505 1.00 1.00 H new ATOM 0 HA2 GLY A 45 34.312 12.077 17.467 1.00 1.00 H new ATOM 0 HA3 GLY A 45 34.384 13.601 18.328 1.00 1.00 H new ATOM 662 N ASN A 46 32.747 14.141 15.692 1.00 1.00 N ATOM 663 CA ASN A 46 31.462 14.522 15.116 1.00 1.00 C ATOM 664 C ASN A 46 30.516 15.032 16.200 1.00 1.00 C ATOM 665 O ASN A 46 29.460 14.448 16.439 1.00 1.00 O ATOM 666 CB ASN A 46 30.831 13.322 14.407 1.00 1.00 C ATOM 667 CG ASN A 46 29.426 13.673 13.934 1.00 1.00 C ATOM 668 OD1 ASN A 46 29.149 14.901 13.591 1.00 1.00 O flip ATOM 669 ND2 ASN A 46 28.555 12.805 13.876 1.00 1.00 N flip ATOM 0 H ASN A 46 33.558 14.406 15.133 1.00 1.00 H new ATOM 0 HA ASN A 46 31.632 15.322 14.395 1.00 1.00 H new ATOM 0 HB2 ASN A 46 31.446 13.027 13.557 1.00 1.00 H new ATOM 0 HB3 ASN A 46 30.793 12.469 15.084 1.00 1.00 H new ATOM 0 HD21 ASN A 46 28.773 11.845 14.144 1.00 1.00 H new ATOM 0 HD22 ASN A 46 27.616 13.045 13.560 1.00 1.00 H new ATOM 676 N GLY A 47 30.903 16.123 16.853 1.00 1.00 N ATOM 677 CA GLY A 47 30.080 16.699 17.910 1.00 1.00 C ATOM 678 C GLY A 47 30.796 17.861 18.589 1.00 1.00 C ATOM 679 O GLY A 47 30.758 17.995 19.812 1.00 1.00 O ATOM 0 H GLY A 47 31.774 16.622 16.671 1.00 1.00 H new ATOM 0 HA2 GLY A 47 29.134 17.044 17.492 1.00 1.00 H new ATOM 0 HA3 GLY A 47 29.841 15.933 18.648 1.00 1.00 H new ATOM 683 N LEU A 48 31.447 18.699 17.788 1.00 1.00 N ATOM 684 CA LEU A 48 32.167 19.848 18.326 1.00 1.00 C ATOM 685 C LEU A 48 31.933 21.081 17.459 1.00 1.00 C ATOM 686 O LEU A 48 31.640 22.163 17.969 1.00 1.00 O ATOM 687 CB LEU A 48 33.665 19.544 18.390 1.00 1.00 C ATOM 688 CG LEU A 48 33.971 18.746 19.658 1.00 1.00 C ATOM 689 CD1 LEU A 48 35.170 17.829 19.409 1.00 1.00 C ATOM 690 CD2 LEU A 48 34.299 19.712 20.800 1.00 1.00 C ATOM 0 H LEU A 48 31.491 18.606 16.773 1.00 1.00 H new ATOM 0 HA LEU A 48 31.794 20.048 19.331 1.00 1.00 H new ATOM 0 HB2 LEU A 48 33.970 18.978 17.509 1.00 1.00 H new ATOM 0 HB3 LEU A 48 34.236 20.473 18.386 1.00 1.00 H new ATOM 0 HG LEU A 48 33.103 18.144 19.926 1.00 1.00 H new ATOM 0 HD11 LEU A 48 35.387 17.261 20.313 1.00 1.00 H new ATOM 0 HD12 LEU A 48 34.940 17.142 18.595 1.00 1.00 H new ATOM 0 HD13 LEU A 48 36.039 18.430 19.141 1.00 1.00 H new ATOM 0 HD21 LEU A 48 34.517 19.145 21.705 1.00 1.00 H new ATOM 0 HD22 LEU A 48 35.167 20.313 20.530 1.00 1.00 H new ATOM 0 HD23 LEU A 48 33.446 20.367 20.979 1.00 1.00 H new ATOM 702 N VAL A 49 32.067 20.910 16.148 1.00 1.00 N ATOM 703 CA VAL A 49 31.868 22.018 15.220 1.00 1.00 C ATOM 704 C VAL A 49 30.479 22.621 15.394 1.00 1.00 C ATOM 705 O VAL A 49 30.218 23.738 14.946 1.00 1.00 O ATOM 706 CB VAL A 49 32.038 21.527 13.781 1.00 1.00 C ATOM 707 CG1 VAL A 49 30.843 20.653 13.394 1.00 1.00 C ATOM 708 CG2 VAL A 49 32.112 22.731 12.838 1.00 1.00 C ATOM 0 H VAL A 49 32.310 20.023 15.707 1.00 1.00 H new ATOM 0 HA VAL A 49 32.612 22.786 15.433 1.00 1.00 H new ATOM 0 HB VAL A 49 32.956 20.944 13.703 1.00 1.00 H new ATOM 0 HG11 VAL A 49 30.965 20.304 12.369 1.00 1.00 H new ATOM 0 HG12 VAL A 49 30.787 19.796 14.065 1.00 1.00 H new ATOM 0 HG13 VAL A 49 29.925 21.236 13.472 1.00 1.00 H new ATOM 0 HG21 VAL A 49 32.233 22.383 11.812 1.00 1.00 H new ATOM 0 HG22 VAL A 49 31.194 23.313 12.918 1.00 1.00 H new ATOM 0 HG23 VAL A 49 32.962 23.356 13.112 1.00 1.00 H new ATOM 718 N LEU A 50 29.592 21.876 16.049 1.00 1.00 N ATOM 719 CA LEU A 50 28.229 22.345 16.280 1.00 1.00 C ATOM 720 C LEU A 50 28.016 22.668 17.754 1.00 1.00 C ATOM 721 O LEU A 50 26.921 23.053 18.164 1.00 1.00 O ATOM 722 CB LEU A 50 27.228 21.275 15.840 1.00 1.00 C ATOM 723 CG LEU A 50 27.472 19.991 16.633 1.00 1.00 C ATOM 724 CD1 LEU A 50 26.398 19.844 17.711 1.00 1.00 C ATOM 725 CD2 LEU A 50 27.410 18.789 15.686 1.00 1.00 C ATOM 0 H LEU A 50 29.791 20.950 16.427 1.00 1.00 H new ATOM 0 HA LEU A 50 28.073 23.252 15.695 1.00 1.00 H new ATOM 0 HB2 LEU A 50 26.209 21.627 16.002 1.00 1.00 H new ATOM 0 HB3 LEU A 50 27.333 21.081 14.772 1.00 1.00 H new ATOM 0 HG LEU A 50 28.454 20.036 17.103 1.00 1.00 H new ATOM 0 HD11 LEU A 50 26.573 18.928 18.276 1.00 1.00 H new ATOM 0 HD12 LEU A 50 26.439 20.700 18.385 1.00 1.00 H new ATOM 0 HD13 LEU A 50 25.415 19.799 17.242 1.00 1.00 H new ATOM 0 HD21 LEU A 50 27.584 17.872 16.250 1.00 1.00 H new ATOM 0 HD22 LEU A 50 26.427 18.746 15.217 1.00 1.00 H new ATOM 0 HD23 LEU A 50 28.175 18.892 14.916 1.00 1.00 H new ATOM 737 N TRP A 51 29.069 22.510 18.549 1.00 1.00 N ATOM 738 CA TRP A 51 28.985 22.790 19.976 1.00 1.00 C ATOM 739 C TRP A 51 29.281 24.260 20.245 1.00 1.00 C ATOM 740 O TRP A 51 28.421 25.119 20.051 1.00 1.00 O ATOM 741 CB TRP A 51 29.981 21.916 20.740 1.00 1.00 C ATOM 742 CG TRP A 51 30.050 22.366 22.165 1.00 1.00 C ATOM 743 CD1 TRP A 51 28.986 22.493 22.992 1.00 1.00 C ATOM 744 CD2 TRP A 51 31.221 22.749 22.942 1.00 1.00 C ATOM 745 NE1 TRP A 51 29.431 22.930 24.226 1.00 1.00 N ATOM 746 CE2 TRP A 51 30.801 23.103 24.245 1.00 1.00 C ATOM 747 CE3 TRP A 51 32.594 22.823 22.645 1.00 1.00 C ATOM 748 CZ2 TRP A 51 31.710 23.516 25.220 1.00 1.00 C ATOM 749 CZ3 TRP A 51 33.512 23.239 23.622 1.00 1.00 C ATOM 750 CH2 TRP A 51 33.070 23.584 24.908 1.00 1.00 C ATOM 0 H TRP A 51 29.984 22.192 18.231 1.00 1.00 H new ATOM 0 HA TRP A 51 27.974 22.565 20.316 1.00 1.00 H new ATOM 0 HB2 TRP A 51 29.675 20.871 20.692 1.00 1.00 H new ATOM 0 HB3 TRP A 51 30.967 21.981 20.279 1.00 1.00 H new ATOM 0 HD1 TRP A 51 27.958 22.287 22.731 1.00 1.00 H new ATOM 0 HE1 TRP A 51 28.821 23.104 25.025 1.00 1.00 H new ATOM 0 HE3 TRP A 51 32.944 22.558 21.658 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 31.365 23.781 26.208 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 34.564 23.294 23.383 1.00 1.00 H new ATOM 0 HH2 TRP A 51 33.781 23.902 25.656 1.00 1.00 H new ATOM 761 N THR A 52 30.504 24.542 20.686 1.00 1.00 N ATOM 762 CA THR A 52 30.908 25.914 20.975 1.00 1.00 C ATOM 763 C THR A 52 30.362 26.865 19.916 1.00 1.00 C ATOM 764 O THR A 52 30.026 28.012 20.211 1.00 1.00 O ATOM 765 CB THR A 52 32.433 26.013 21.015 1.00 1.00 C ATOM 766 OG1 THR A 52 32.814 27.366 21.218 1.00 1.00 O ATOM 767 CG2 THR A 52 33.015 25.508 19.695 1.00 1.00 C ATOM 0 H THR A 52 31.228 23.843 20.850 1.00 1.00 H new ATOM 0 HA THR A 52 30.502 26.196 21.946 1.00 1.00 H new ATOM 0 HB THR A 52 32.815 25.402 21.833 1.00 1.00 H new ATOM 0 HG1 THR A 52 33.792 27.430 21.245 1.00 1.00 H new ATOM 0 HG21 THR A 52 34.102 25.580 19.726 1.00 1.00 H new ATOM 0 HG22 THR A 52 32.724 24.469 19.543 1.00 1.00 H new ATOM 0 HG23 THR A 52 32.635 26.115 18.874 1.00 1.00 H new ATOM 775 N VAL A 53 30.276 26.379 18.682 1.00 1.00 N ATOM 776 CA VAL A 53 29.768 27.191 17.583 1.00 1.00 C ATOM 777 C VAL A 53 28.328 27.617 17.850 1.00 1.00 C ATOM 778 O VAL A 53 27.995 28.800 17.766 1.00 1.00 O ATOM 779 CB VAL A 53 29.833 26.399 16.276 1.00 1.00 C ATOM 780 CG1 VAL A 53 28.971 27.088 15.218 1.00 1.00 C ATOM 781 CG2 VAL A 53 31.284 26.337 15.790 1.00 1.00 C ATOM 0 H VAL A 53 30.550 25.432 18.419 1.00 1.00 H new ATOM 0 HA VAL A 53 30.388 28.083 17.499 1.00 1.00 H new ATOM 0 HB VAL A 53 29.461 25.388 16.445 1.00 1.00 H new ATOM 0 HG11 VAL A 53 29.017 26.523 14.287 1.00 1.00 H new ATOM 0 HG12 VAL A 53 27.938 27.134 15.563 1.00 1.00 H new ATOM 0 HG13 VAL A 53 29.342 28.099 15.048 1.00 1.00 H new ATOM 0 HG21 VAL A 53 31.332 25.773 14.859 1.00 1.00 H new ATOM 0 HG22 VAL A 53 31.655 27.348 15.621 1.00 1.00 H new ATOM 0 HG23 VAL A 53 31.899 25.846 16.544 1.00 1.00 H new ATOM 791 N PHE A 54 27.479 26.647 18.170 1.00 1.00 N ATOM 792 CA PHE A 54 26.076 26.931 18.446 1.00 1.00 C ATOM 793 C PHE A 54 25.946 28.002 19.524 1.00 1.00 C ATOM 794 O PHE A 54 24.909 28.654 19.643 1.00 1.00 O ATOM 795 CB PHE A 54 25.367 25.655 18.901 1.00 1.00 C ATOM 796 CG PHE A 54 24.722 24.992 17.710 1.00 1.00 C ATOM 797 CD1 PHE A 54 25.507 24.623 16.612 1.00 1.00 C ATOM 798 CD2 PHE A 54 23.344 24.746 17.700 1.00 1.00 C ATOM 799 CE1 PHE A 54 24.914 24.009 15.503 1.00 1.00 C ATOM 800 CE2 PHE A 54 22.751 24.131 16.591 1.00 1.00 C ATOM 801 CZ PHE A 54 23.536 23.762 15.492 1.00 1.00 C ATOM 0 H PHE A 54 27.736 25.663 18.244 1.00 1.00 H new ATOM 0 HA PHE A 54 25.612 27.298 17.531 1.00 1.00 H new ATOM 0 HB2 PHE A 54 26.080 24.976 19.368 1.00 1.00 H new ATOM 0 HB3 PHE A 54 24.614 25.892 19.652 1.00 1.00 H new ATOM 0 HD1 PHE A 54 26.570 24.812 16.620 1.00 1.00 H new ATOM 0 HD2 PHE A 54 22.738 25.031 18.548 1.00 1.00 H new ATOM 0 HE1 PHE A 54 25.520 23.726 14.655 1.00 1.00 H new ATOM 0 HE2 PHE A 54 21.688 23.941 16.583 1.00 1.00 H new ATOM 0 HZ PHE A 54 23.079 23.287 14.636 1.00 1.00 H new ATOM 811 N ARG A 55 27.007 28.178 20.302 1.00 1.00 N ATOM 812 CA ARG A 55 27.007 29.173 21.369 1.00 1.00 C ATOM 813 C ARG A 55 27.811 30.399 20.949 1.00 1.00 C ATOM 814 O ARG A 55 27.597 31.499 21.459 1.00 1.00 O ATOM 815 CB ARG A 55 27.607 28.582 22.649 1.00 1.00 C ATOM 816 CG ARG A 55 27.643 27.051 22.559 1.00 1.00 C ATOM 817 CD ARG A 55 26.223 26.511 22.378 1.00 1.00 C ATOM 818 NE ARG A 55 25.924 25.527 23.412 1.00 1.00 N ATOM 819 CZ ARG A 55 24.671 25.213 23.722 1.00 1.00 C ATOM 820 NH1 ARG A 55 23.681 25.794 23.100 1.00 1.00 N ATOM 821 NH2 ARG A 55 24.430 24.326 24.647 1.00 1.00 N ATOM 0 H ARG A 55 27.874 27.648 20.216 1.00 1.00 H new ATOM 0 HA ARG A 55 25.976 29.469 21.561 1.00 1.00 H new ATOM 0 HB2 ARG A 55 28.615 28.969 22.799 1.00 1.00 H new ATOM 0 HB3 ARG A 55 27.016 28.889 23.512 1.00 1.00 H new ATOM 0 HG2 ARG A 55 28.270 26.741 21.723 1.00 1.00 H new ATOM 0 HG3 ARG A 55 28.088 26.634 23.462 1.00 1.00 H new ATOM 0 HD2 ARG A 55 25.505 27.330 22.427 1.00 1.00 H new ATOM 0 HD3 ARG A 55 26.122 26.056 21.393 1.00 1.00 H new ATOM 0 HE ARG A 55 26.691 25.071 23.906 1.00 1.00 H new ATOM 0 HH11 ARG A 55 23.870 26.488 22.377 1.00 1.00 H new ATOM 0 HH12 ARG A 55 22.718 25.554 23.337 1.00 1.00 H new ATOM 0 HH21 ARG A 55 25.204 23.873 25.133 1.00 1.00 H new ATOM 0 HH22 ARG A 55 23.468 24.085 24.885 1.00 1.00 H new ATOM 835 N LYS A 56 28.737 30.200 20.018 1.00 1.00 N ATOM 836 CA LYS A 56 29.571 31.293 19.534 1.00 1.00 C ATOM 837 C LYS A 56 28.729 32.312 18.774 1.00 1.00 C ATOM 838 O LYS A 56 28.673 33.485 19.143 1.00 1.00 O ATOM 839 CB LYS A 56 30.663 30.742 18.615 1.00 1.00 C ATOM 840 CG LYS A 56 31.854 31.700 18.601 1.00 1.00 C ATOM 841 CD LYS A 56 32.862 31.281 19.674 1.00 1.00 C ATOM 842 CE LYS A 56 34.049 32.245 19.664 1.00 1.00 C ATOM 843 NZ LYS A 56 33.729 33.436 20.501 1.00 1.00 N ATOM 0 H LYS A 56 28.928 29.296 19.585 1.00 1.00 H new ATOM 0 HA LYS A 56 30.030 31.786 20.391 1.00 1.00 H new ATOM 0 HB2 LYS A 56 30.980 29.757 18.959 1.00 1.00 H new ATOM 0 HB3 LYS A 56 30.273 30.616 17.605 1.00 1.00 H new ATOM 0 HG2 LYS A 56 32.328 31.693 17.620 1.00 1.00 H new ATOM 0 HG3 LYS A 56 31.516 32.720 18.784 1.00 1.00 H new ATOM 0 HD2 LYS A 56 32.387 31.283 20.655 1.00 1.00 H new ATOM 0 HD3 LYS A 56 33.205 30.263 19.488 1.00 1.00 H new ATOM 0 HE2 LYS A 56 34.939 31.746 20.047 1.00 1.00 H new ATOM 0 HE3 LYS A 56 34.272 32.554 18.643 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 34.536 34.092 20.494 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 32.890 33.915 20.116 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 33.537 33.133 21.477 1.00 1.00 H new