USER MOD reduce.3.24.130724 H: found=0, std=0, add=187, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 187 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 6 ASN : amide:sc= -0.0745 K(o=-0.075,f=-3) USER MOD Single : A 13 SER OG : rot 73:sc= 1.2 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 168:sc= 1.24 (180deg=1.18) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 61 N ASN A 6 26.917 15.565 16.336 1.00 0.00 N ATOM 62 CA ASN A 6 26.448 16.475 15.295 1.00 0.00 C ATOM 63 C ASN A 6 25.758 17.668 15.972 1.00 0.00 C ATOM 64 O ASN A 6 24.741 17.472 16.645 1.00 0.00 O ATOM 65 CB ASN A 6 25.506 15.732 14.323 1.00 0.00 C ATOM 66 CG ASN A 6 24.914 16.645 13.255 1.00 0.00 C ATOM 67 OD1 ASN A 6 25.358 17.763 13.036 1.00 0.00 O ATOM 68 ND2 ASN A 6 23.886 16.211 12.569 1.00 0.00 N ATOM 0 HA ASN A 6 27.284 16.846 14.701 1.00 0.00 H new ATOM 0 HB2 ASN A 6 26.055 14.924 13.839 1.00 0.00 H new ATOM 0 HB3 ASN A 6 24.697 15.272 14.890 1.00 0.00 H new ATOM 0 HD21 ASN A 6 23.461 16.805 11.857 1.00 0.00 H new ATOM 0 HD22 ASN A 6 23.511 15.279 12.747 1.00 0.00 H new ATOM 75 N LEU A 7 26.268 18.890 15.784 1.00 0.00 N ATOM 76 CA LEU A 7 25.699 20.125 16.338 1.00 0.00 C ATOM 77 C LEU A 7 24.234 20.291 15.912 1.00 0.00 C ATOM 78 O LEU A 7 23.363 20.518 16.750 1.00 0.00 O ATOM 79 CB LEU A 7 26.574 21.304 15.863 1.00 0.00 C ATOM 80 CG LEU A 7 26.165 22.684 16.413 1.00 0.00 C ATOM 81 CD1 LEU A 7 26.347 22.778 17.929 1.00 0.00 C ATOM 82 CD2 LEU A 7 27.025 23.770 15.766 1.00 0.00 C ATOM 0 H LEU A 7 27.108 19.052 15.229 1.00 0.00 H new ATOM 0 HA LEU A 7 25.699 20.090 17.427 1.00 0.00 H new ATOM 0 HB2 LEU A 7 27.607 21.108 16.149 1.00 0.00 H new ATOM 0 HB3 LEU A 7 26.546 21.341 14.774 1.00 0.00 H new ATOM 0 HG LEU A 7 25.110 22.822 16.178 1.00 0.00 H new ATOM 0 HD11 LEU A 7 26.046 23.768 18.271 1.00 0.00 H new ATOM 0 HD12 LEU A 7 25.731 22.023 18.417 1.00 0.00 H new ATOM 0 HD13 LEU A 7 27.394 22.610 18.181 1.00 0.00 H new ATOM 0 HD21 LEU A 7 26.734 24.745 16.156 1.00 0.00 H new ATOM 0 HD22 LEU A 7 28.075 23.586 15.994 1.00 0.00 H new ATOM 0 HD23 LEU A 7 26.880 23.754 14.686 1.00 0.00 H new ATOM 94 N ALA A 8 23.956 20.028 14.631 1.00 0.00 N ATOM 95 CA ALA A 8 22.636 20.079 13.999 1.00 0.00 C ATOM 96 C ALA A 8 21.688 18.920 14.391 1.00 0.00 C ATOM 97 O ALA A 8 20.619 18.748 13.807 1.00 0.00 O ATOM 98 CB ALA A 8 22.862 20.174 12.490 1.00 0.00 C ATOM 0 H ALA A 8 24.687 19.759 13.972 1.00 0.00 H new ATOM 0 HA ALA A 8 22.105 20.957 14.367 1.00 0.00 H new ATOM 0 HB1 ALA A 8 21.900 20.214 11.980 1.00 0.00 H new ATOM 0 HB2 ALA A 8 23.431 21.076 12.263 1.00 0.00 H new ATOM 0 HB3 ALA A 8 23.417 19.300 12.149 1.00 0.00 H new ATOM 104 N ALA A 9 22.063 18.124 15.395 1.00 0.00 N ATOM 105 CA ALA A 9 21.181 17.222 16.137 1.00 0.00 C ATOM 106 C ALA A 9 21.280 17.442 17.662 1.00 0.00 C ATOM 107 O ALA A 9 20.318 17.206 18.391 1.00 0.00 O ATOM 108 CB ALA A 9 21.525 15.784 15.740 1.00 0.00 C ATOM 0 H ALA A 9 23.027 18.089 15.726 1.00 0.00 H new ATOM 0 HA ALA A 9 20.143 17.432 15.879 1.00 0.00 H new ATOM 0 HB1 ALA A 9 20.879 15.093 16.281 1.00 0.00 H new ATOM 0 HB2 ALA A 9 21.375 15.657 14.668 1.00 0.00 H new ATOM 0 HB3 ALA A 9 22.566 15.577 15.988 1.00 0.00 H new ATOM 114 N CYS A 10 22.413 17.951 18.154 1.00 0.00 N ATOM 115 CA CYS A 10 22.691 18.143 19.578 1.00 0.00 C ATOM 116 C CYS A 10 21.906 19.320 20.161 1.00 0.00 C ATOM 117 O CYS A 10 21.243 19.171 21.185 1.00 0.00 O ATOM 118 CB CYS A 10 24.202 18.327 19.780 1.00 0.00 C ATOM 119 SG CYS A 10 24.723 18.321 21.512 1.00 0.00 S ATOM 0 H CYS A 10 23.183 18.249 17.555 1.00 0.00 H new ATOM 0 HA CYS A 10 22.362 17.255 20.118 1.00 0.00 H new ATOM 0 HB2 CYS A 10 24.728 17.532 19.251 1.00 0.00 H new ATOM 0 HB3 CYS A 10 24.506 19.269 19.324 1.00 0.00 H new ATOM 124 N GLU A 11 21.881 20.457 19.460 1.00 0.00 N ATOM 125 CA GLU A 11 21.025 21.602 19.802 1.00 0.00 C ATOM 126 C GLU A 11 19.554 21.165 19.903 1.00 0.00 C ATOM 127 O GLU A 11 18.867 21.461 20.880 1.00 0.00 O ATOM 128 CB GLU A 11 21.197 22.688 18.725 1.00 0.00 C ATOM 129 CG GLU A 11 22.599 23.326 18.695 1.00 0.00 C ATOM 130 CD GLU A 11 22.798 24.396 19.774 1.00 0.00 C ATOM 131 OE1 GLU A 11 22.193 24.315 20.864 1.00 0.00 O ATOM 132 OE2 GLU A 11 23.468 25.426 19.500 1.00 0.00 O ATOM 0 H GLU A 11 22.457 20.612 18.633 1.00 0.00 H new ATOM 0 HA GLU A 11 21.319 22.002 20.772 1.00 0.00 H new ATOM 0 HB2 GLU A 11 20.986 22.253 17.748 1.00 0.00 H new ATOM 0 HB3 GLU A 11 20.457 23.471 18.892 1.00 0.00 H new ATOM 0 HG2 GLU A 11 23.349 22.546 18.823 1.00 0.00 H new ATOM 0 HG3 GLU A 11 22.767 23.772 17.715 1.00 0.00 H new ATOM 139 N LEU A 12 19.115 20.343 18.944 1.00 0.00 N ATOM 140 CA LEU A 12 17.753 19.798 18.832 1.00 0.00 C ATOM 141 C LEU A 12 17.428 18.714 19.882 1.00 0.00 C ATOM 142 O LEU A 12 16.274 18.297 20.002 1.00 0.00 O ATOM 143 CB LEU A 12 17.552 19.246 17.403 1.00 0.00 C ATOM 144 CG LEU A 12 18.082 20.121 16.247 1.00 0.00 C ATOM 145 CD1 LEU A 12 17.667 19.500 14.913 1.00 0.00 C ATOM 146 CD2 LEU A 12 17.542 21.552 16.295 1.00 0.00 C ATOM 0 H LEU A 12 19.724 20.024 18.191 1.00 0.00 H new ATOM 0 HA LEU A 12 17.059 20.615 19.032 1.00 0.00 H new ATOM 0 HB2 LEU A 12 18.036 18.271 17.343 1.00 0.00 H new ATOM 0 HB3 LEU A 12 16.486 19.083 17.247 1.00 0.00 H new ATOM 0 HG LEU A 12 19.166 20.163 16.350 1.00 0.00 H new ATOM 0 HD11 LEU A 12 18.039 20.115 14.094 1.00 0.00 H new ATOM 0 HD12 LEU A 12 18.086 18.497 14.833 1.00 0.00 H new ATOM 0 HD13 LEU A 12 16.580 19.445 14.860 1.00 0.00 H new ATOM 0 HD21 LEU A 12 17.947 22.122 15.459 1.00 0.00 H new ATOM 0 HD22 LEU A 12 16.454 21.533 16.228 1.00 0.00 H new ATOM 0 HD23 LEU A 12 17.839 22.022 17.233 1.00 0.00 H new ATOM 158 N SER A 13 18.446 18.264 20.628 1.00 0.00 N ATOM 159 CA SER A 13 18.364 17.302 21.737 1.00 0.00 C ATOM 160 C SER A 13 18.492 17.970 23.120 1.00 0.00 C ATOM 161 O SER A 13 18.300 17.299 24.139 1.00 0.00 O ATOM 162 CB SER A 13 19.438 16.212 21.579 1.00 0.00 C ATOM 163 OG SER A 13 19.402 15.614 20.288 1.00 0.00 O ATOM 0 H SER A 13 19.402 18.579 20.465 1.00 0.00 H new ATOM 0 HA SER A 13 17.372 16.853 21.689 1.00 0.00 H new ATOM 0 HB2 SER A 13 20.423 16.646 21.751 1.00 0.00 H new ATOM 0 HB3 SER A 13 19.291 15.444 22.339 1.00 0.00 H new ATOM 0 HG SER A 13 19.750 16.246 19.625 1.00 0.00 H new ATOM 169 N CYS A 14 18.803 19.271 23.171 1.00 0.00 N ATOM 170 CA CYS A 14 18.997 20.048 24.400 1.00 0.00 C ATOM 171 C CYS A 14 17.986 21.199 24.582 1.00 0.00 C ATOM 172 O CYS A 14 17.540 21.453 25.703 1.00 0.00 O ATOM 173 CB CYS A 14 20.430 20.596 24.378 1.00 0.00 C ATOM 174 SG CYS A 14 21.752 19.376 24.639 1.00 0.00 S ATOM 0 H CYS A 14 18.931 19.831 22.328 1.00 0.00 H new ATOM 0 HA CYS A 14 18.828 19.385 25.249 1.00 0.00 H new ATOM 0 HB2 CYS A 14 20.597 21.084 23.418 1.00 0.00 H new ATOM 0 HB3 CYS A 14 20.516 21.365 25.145 1.00 0.00 H new ATOM 179 N ARG A 15 17.603 21.911 23.513 1.00 0.00 N ATOM 180 CA ARG A 15 16.889 23.203 23.612 1.00 0.00 C ATOM 181 C ARG A 15 15.476 23.132 24.190 1.00 0.00 C ATOM 182 O ARG A 15 15.006 24.124 24.754 1.00 0.00 O ATOM 183 CB ARG A 15 16.938 23.940 22.263 1.00 0.00 C ATOM 184 CG ARG A 15 18.336 24.543 22.052 1.00 0.00 C ATOM 185 CD ARG A 15 18.474 25.176 20.669 1.00 0.00 C ATOM 186 NE ARG A 15 19.829 25.729 20.508 1.00 0.00 N ATOM 187 CZ ARG A 15 20.192 26.985 20.357 1.00 0.00 C ATOM 188 NH1 ARG A 15 19.370 27.985 20.460 1.00 0.00 N ATOM 189 NH2 ARG A 15 21.438 27.289 20.140 1.00 0.00 N ATOM 0 H ARG A 15 17.777 21.612 22.553 1.00 0.00 H new ATOM 0 HA ARG A 15 17.430 23.784 24.359 1.00 0.00 H new ATOM 0 HB2 ARG A 15 16.703 23.250 21.452 1.00 0.00 H new ATOM 0 HB3 ARG A 15 16.185 24.727 22.240 1.00 0.00 H new ATOM 0 HG2 ARG A 15 18.527 25.295 22.817 1.00 0.00 H new ATOM 0 HG3 ARG A 15 19.090 23.765 22.173 1.00 0.00 H new ATOM 0 HD2 ARG A 15 18.281 24.431 19.897 1.00 0.00 H new ATOM 0 HD3 ARG A 15 17.732 25.965 20.544 1.00 0.00 H new ATOM 0 HE ARG A 15 20.588 25.048 20.514 1.00 0.00 H new ATOM 0 HH11 ARG A 15 18.386 27.817 20.668 1.00 0.00 H new ATOM 0 HH12 ARG A 15 19.709 28.939 20.333 1.00 0.00 H new ATOM 0 HH21 ARG A 15 22.141 26.552 20.086 1.00 0.00 H new ATOM 0 HH22 ARG A 15 21.712 28.265 20.024 1.00 0.00 H new ATOM 203 N SER A 16 14.823 21.970 24.183 1.00 0.00 N ATOM 204 CA SER A 16 13.558 21.778 24.909 1.00 0.00 C ATOM 205 C SER A 16 13.701 21.894 26.434 1.00 0.00 C ATOM 206 O SER A 16 12.719 22.186 27.121 1.00 0.00 O ATOM 207 CB SER A 16 12.901 20.451 24.535 1.00 0.00 C ATOM 208 OG SER A 16 13.692 19.332 24.898 1.00 0.00 O ATOM 0 H SER A 16 15.147 21.142 23.682 1.00 0.00 H new ATOM 0 HA SER A 16 12.912 22.597 24.595 1.00 0.00 H new ATOM 0 HB2 SER A 16 11.930 20.379 25.025 1.00 0.00 H new ATOM 0 HB3 SER A 16 12.719 20.430 23.461 1.00 0.00 H new ATOM 0 HG SER A 16 13.230 18.507 24.640 1.00 0.00 H new ATOM 214 N LEU A 17 14.912 21.738 26.980 1.00 0.00 N ATOM 215 CA LEU A 17 15.215 21.864 28.418 1.00 0.00 C ATOM 216 C LEU A 17 15.540 23.313 28.849 1.00 0.00 C ATOM 217 O LEU A 17 15.652 23.600 30.047 1.00 0.00 O ATOM 218 CB LEU A 17 16.393 20.937 28.775 1.00 0.00 C ATOM 219 CG LEU A 17 16.350 19.516 28.189 1.00 0.00 C ATOM 220 CD1 LEU A 17 17.574 18.729 28.658 1.00 0.00 C ATOM 221 CD2 LEU A 17 15.098 18.742 28.609 1.00 0.00 C ATOM 0 H LEU A 17 15.735 21.514 26.421 1.00 0.00 H new ATOM 0 HA LEU A 17 14.316 21.572 28.961 1.00 0.00 H new ATOM 0 HB2 LEU A 17 17.315 21.415 28.444 1.00 0.00 H new ATOM 0 HB3 LEU A 17 16.447 20.857 29.861 1.00 0.00 H new ATOM 0 HG LEU A 17 16.338 19.625 27.104 1.00 0.00 H new ATOM 0 HD11 LEU A 17 17.541 17.722 28.241 1.00 0.00 H new ATOM 0 HD12 LEU A 17 18.481 19.232 28.321 1.00 0.00 H new ATOM 0 HD13 LEU A 17 17.574 18.671 29.746 1.00 0.00 H new ATOM 0 HD21 LEU A 17 15.120 17.746 28.167 1.00 0.00 H new ATOM 0 HD22 LEU A 17 15.071 18.656 29.695 1.00 0.00 H new ATOM 0 HD23 LEU A 17 14.210 19.272 28.265 1.00 0.00 H new ATOM 233 N GLY A 18 15.716 24.225 27.887 1.00 0.00 N ATOM 234 CA GLY A 18 16.088 25.632 28.093 1.00 0.00 C ATOM 235 C GLY A 18 17.594 25.932 28.045 1.00 0.00 C ATOM 236 O GLY A 18 17.971 27.106 28.054 1.00 0.00 O ATOM 0 H GLY A 18 15.598 23.994 26.900 1.00 0.00 H new ATOM 0 HA2 GLY A 18 15.591 26.236 27.334 1.00 0.00 H new ATOM 0 HA3 GLY A 18 15.702 25.954 29.060 1.00 0.00 H new ATOM 240 N LEU A 19 18.452 24.908 27.958 1.00 0.00 N ATOM 241 CA LEU A 19 19.898 25.062 27.742 1.00 0.00 C ATOM 242 C LEU A 19 20.279 24.748 26.284 1.00 0.00 C ATOM 243 O LEU A 19 19.442 24.310 25.501 1.00 0.00 O ATOM 244 CB LEU A 19 20.729 24.301 28.814 1.00 0.00 C ATOM 245 CG LEU A 19 20.525 22.779 29.018 1.00 0.00 C ATOM 246 CD1 LEU A 19 19.480 22.478 30.091 1.00 0.00 C ATOM 247 CD2 LEU A 19 20.104 22.048 27.751 1.00 0.00 C ATOM 0 H LEU A 19 18.158 23.934 28.037 1.00 0.00 H new ATOM 0 HA LEU A 19 20.163 26.109 27.888 1.00 0.00 H new ATOM 0 HB2 LEU A 19 21.782 24.458 28.579 1.00 0.00 H new ATOM 0 HB3 LEU A 19 20.541 24.784 29.773 1.00 0.00 H new ATOM 0 HG LEU A 19 21.506 22.418 29.328 1.00 0.00 H new ATOM 0 HD11 LEU A 19 19.370 21.399 30.200 1.00 0.00 H new ATOM 0 HD12 LEU A 19 19.799 22.908 31.040 1.00 0.00 H new ATOM 0 HD13 LEU A 19 18.524 22.912 29.800 1.00 0.00 H new ATOM 0 HD21 LEU A 19 19.979 20.987 27.967 1.00 0.00 H new ATOM 0 HD22 LEU A 19 19.161 22.458 27.391 1.00 0.00 H new ATOM 0 HD23 LEU A 19 20.870 22.175 26.986 1.00 0.00 H new ATOM 259 N LEU A 20 21.549 24.947 25.916 1.00 0.00 N ATOM 260 CA LEU A 20 22.048 24.781 24.542 1.00 0.00 C ATOM 261 C LEU A 20 22.846 23.473 24.392 1.00 0.00 C ATOM 262 O LEU A 20 23.425 22.991 25.369 1.00 0.00 O ATOM 263 CB LEU A 20 22.867 26.016 24.125 1.00 0.00 C ATOM 264 CG LEU A 20 22.253 27.390 24.478 1.00 0.00 C ATOM 265 CD1 LEU A 20 23.118 28.500 23.882 1.00 0.00 C ATOM 266 CD2 LEU A 20 20.829 27.583 23.961 1.00 0.00 C ATOM 0 H LEU A 20 22.274 25.233 26.574 1.00 0.00 H new ATOM 0 HA LEU A 20 21.197 24.703 23.865 1.00 0.00 H new ATOM 0 HB2 LEU A 20 23.850 25.949 24.592 1.00 0.00 H new ATOM 0 HB3 LEU A 20 23.023 25.976 23.047 1.00 0.00 H new ATOM 0 HG LEU A 20 22.218 27.431 25.567 1.00 0.00 H new ATOM 0 HD11 LEU A 20 22.687 29.470 24.130 1.00 0.00 H new ATOM 0 HD12 LEU A 20 24.126 28.436 24.292 1.00 0.00 H new ATOM 0 HD13 LEU A 20 23.159 28.387 22.799 1.00 0.00 H new ATOM 0 HD21 LEU A 20 20.468 28.570 24.249 1.00 0.00 H new ATOM 0 HD22 LEU A 20 20.822 27.496 22.874 1.00 0.00 H new ATOM 0 HD23 LEU A 20 20.180 26.820 24.390 1.00 0.00 H new ATOM 278 N GLY A 21 22.887 22.900 23.189 1.00 0.00 N ATOM 279 CA GLY A 21 23.597 21.654 22.884 1.00 0.00 C ATOM 280 C GLY A 21 24.917 21.899 22.164 1.00 0.00 C ATOM 281 O GLY A 21 24.931 22.132 20.958 1.00 0.00 O ATOM 0 H GLY A 21 22.415 23.299 22.377 1.00 0.00 H new ATOM 0 HA2 GLY A 21 23.787 21.111 23.810 1.00 0.00 H new ATOM 0 HA3 GLY A 21 22.962 21.019 22.266 1.00 0.00 H new ATOM 285 N LYS A 22 26.027 21.833 22.905 1.00 0.00 N ATOM 286 CA LYS A 22 27.401 21.957 22.380 1.00 0.00 C ATOM 287 C LYS A 22 28.254 20.787 22.877 1.00 0.00 C ATOM 288 O LYS A 22 28.369 20.557 24.085 1.00 0.00 O ATOM 289 CB LYS A 22 28.045 23.312 22.739 1.00 0.00 C ATOM 290 CG LYS A 22 27.540 24.544 21.956 1.00 0.00 C ATOM 291 CD LYS A 22 26.193 25.123 22.427 1.00 0.00 C ATOM 292 CE LYS A 22 25.960 26.558 21.931 1.00 0.00 C ATOM 293 NZ LYS A 22 25.737 26.638 20.470 1.00 0.00 N ATOM 0 H LYS A 22 26.000 21.688 23.914 1.00 0.00 H new ATOM 0 HA LYS A 22 27.349 21.921 21.292 1.00 0.00 H new ATOM 0 HB2 LYS A 22 27.886 23.494 23.802 1.00 0.00 H new ATOM 0 HB3 LYS A 22 29.121 23.229 22.587 1.00 0.00 H new ATOM 0 HG2 LYS A 22 28.295 25.328 22.020 1.00 0.00 H new ATOM 0 HG3 LYS A 22 27.451 24.273 20.904 1.00 0.00 H new ATOM 0 HD2 LYS A 22 25.384 24.484 22.073 1.00 0.00 H new ATOM 0 HD3 LYS A 22 26.157 25.109 23.516 1.00 0.00 H new ATOM 0 HE2 LYS A 22 25.098 26.979 22.448 1.00 0.00 H new ATOM 0 HE3 LYS A 22 26.821 27.172 22.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 25.388 27.586 20.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 26.632 26.458 19.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 25.034 25.926 20.187 1.00 0.00 H new ATOM 307 N CYS A 23 28.841 20.044 21.938 1.00 0.00 N ATOM 308 CA CYS A 23 29.504 18.764 22.179 1.00 0.00 C ATOM 309 C CYS A 23 30.759 18.880 23.059 1.00 0.00 C ATOM 310 O CYS A 23 31.431 19.917 23.079 1.00 0.00 O ATOM 311 CB CYS A 23 29.868 18.135 20.828 1.00 0.00 C ATOM 312 SG CYS A 23 28.482 17.701 19.742 1.00 0.00 S ATOM 0 H CYS A 23 28.868 20.326 20.958 1.00 0.00 H new ATOM 0 HA CYS A 23 28.805 18.134 22.730 1.00 0.00 H new ATOM 0 HB2 CYS A 23 30.518 18.827 20.293 1.00 0.00 H new ATOM 0 HB3 CYS A 23 30.450 17.233 21.017 1.00 0.00 H new ATOM 0 HG CYS A 23 28.939 17.184 18.640 1.00 0.00 H new ATOM 317 N ILE A 24 31.114 17.775 23.723 1.00 0.00 N ATOM 318 CA ILE A 24 32.378 17.584 24.457 1.00 0.00 C ATOM 319 C ILE A 24 32.884 16.164 24.174 1.00 0.00 C ATOM 320 O ILE A 24 32.114 15.203 24.252 1.00 0.00 O ATOM 321 CB ILE A 24 32.206 17.825 25.981 1.00 0.00 C ATOM 322 CG1 ILE A 24 31.697 19.260 26.262 1.00 0.00 C ATOM 323 CG2 ILE A 24 33.533 17.568 26.723 1.00 0.00 C ATOM 324 CD1 ILE A 24 31.527 19.614 27.744 1.00 0.00 C ATOM 0 H ILE A 24 30.508 16.955 23.768 1.00 0.00 H new ATOM 0 HA ILE A 24 33.108 18.317 24.115 1.00 0.00 H new ATOM 0 HB ILE A 24 31.460 17.122 26.351 1.00 0.00 H new ATOM 0 HG12 ILE A 24 32.392 19.969 25.813 1.00 0.00 H new ATOM 0 HG13 ILE A 24 30.738 19.393 25.761 1.00 0.00 H new ATOM 0 HG21 ILE A 24 33.393 17.742 27.790 1.00 0.00 H new ATOM 0 HG22 ILE A 24 33.846 16.537 26.562 1.00 0.00 H new ATOM 0 HG23 ILE A 24 34.299 18.244 26.343 1.00 0.00 H new ATOM 0 HD11 ILE A 24 31.167 20.639 27.834 1.00 0.00 H new ATOM 0 HD12 ILE A 24 30.807 18.935 28.200 1.00 0.00 H new ATOM 0 HD13 ILE A 24 32.486 19.520 28.253 1.00 0.00 H new ATOM 336 N GLY A 25 34.173 16.012 23.857 1.00 0.00 N ATOM 337 CA GLY A 25 34.789 14.693 23.664 1.00 0.00 C ATOM 338 C GLY A 25 34.205 13.906 22.486 1.00 0.00 C ATOM 339 O GLY A 25 34.077 12.687 22.561 1.00 0.00 O ATOM 0 H GLY A 25 34.816 16.793 23.727 1.00 0.00 H new ATOM 0 HA2 GLY A 25 35.860 14.822 23.508 1.00 0.00 H new ATOM 0 HA3 GLY A 25 34.668 14.108 24.576 1.00 0.00 H new ATOM 343 N GLU A 26 33.836 14.601 21.409 1.00 0.00 N ATOM 344 CA GLU A 26 33.259 14.054 20.171 1.00 0.00 C ATOM 345 C GLU A 26 31.854 13.410 20.305 1.00 0.00 C ATOM 346 O GLU A 26 31.395 12.742 19.380 1.00 0.00 O ATOM 347 CB GLU A 26 34.289 13.175 19.427 1.00 0.00 C ATOM 348 CG GLU A 26 35.663 13.855 19.258 1.00 0.00 C ATOM 349 CD GLU A 26 36.714 12.971 18.588 1.00 0.00 C ATOM 350 OE1 GLU A 26 36.867 11.799 19.002 1.00 0.00 O ATOM 351 OE2 GLU A 26 37.466 13.483 17.717 1.00 0.00 O ATOM 0 H GLU A 26 33.935 15.615 21.371 1.00 0.00 H new ATOM 0 HA GLU A 26 33.043 14.917 19.542 1.00 0.00 H new ATOM 0 HB2 GLU A 26 34.419 12.240 19.972 1.00 0.00 H new ATOM 0 HB3 GLU A 26 33.895 12.919 18.444 1.00 0.00 H new ATOM 0 HG2 GLU A 26 35.538 14.763 18.669 1.00 0.00 H new ATOM 0 HG3 GLU A 26 36.030 14.159 20.238 1.00 0.00 H new ATOM 358 N GLU A 27 31.108 13.691 21.383 1.00 0.00 N ATOM 359 CA GLU A 27 29.684 13.331 21.540 1.00 0.00 C ATOM 360 C GLU A 27 28.841 14.512 22.081 1.00 0.00 C ATOM 361 O GLU A 27 29.373 15.466 22.656 1.00 0.00 O ATOM 362 CB GLU A 27 29.542 12.063 22.415 1.00 0.00 C ATOM 363 CG GLU A 27 28.250 11.281 22.114 1.00 0.00 C ATOM 364 CD GLU A 27 28.045 10.094 23.063 1.00 0.00 C ATOM 365 OE1 GLU A 27 27.503 10.310 24.173 1.00 0.00 O ATOM 366 OE2 GLU A 27 28.386 8.935 22.726 1.00 0.00 O ATOM 0 H GLU A 27 31.483 14.187 22.192 1.00 0.00 H new ATOM 0 HA GLU A 27 29.284 13.103 20.552 1.00 0.00 H new ATOM 0 HB2 GLU A 27 30.402 11.414 22.251 1.00 0.00 H new ATOM 0 HB3 GLU A 27 29.554 12.348 23.467 1.00 0.00 H new ATOM 0 HG2 GLU A 27 27.396 11.954 22.190 1.00 0.00 H new ATOM 0 HG3 GLU A 27 28.280 10.919 21.086 1.00 0.00 H new ATOM 373 N CYS A 28 27.520 14.487 21.868 1.00 0.00 N ATOM 374 CA CYS A 28 26.603 15.528 22.324 1.00 0.00 C ATOM 375 C CYS A 28 26.449 15.574 23.854 1.00 0.00 C ATOM 376 O CYS A 28 26.025 14.605 24.493 1.00 0.00 O ATOM 377 CB CYS A 28 25.230 15.339 21.673 1.00 0.00 C ATOM 378 SG CYS A 28 23.994 16.552 22.206 1.00 0.00 S ATOM 0 H CYS A 28 27.055 13.730 21.366 1.00 0.00 H new ATOM 0 HA CYS A 28 27.038 16.480 22.020 1.00 0.00 H new ATOM 0 HB2 CYS A 28 25.340 15.399 20.590 1.00 0.00 H new ATOM 0 HB3 CYS A 28 24.865 14.338 21.901 1.00 0.00 H new ATOM 383 N LYS A 29 26.711 16.766 24.391 1.00 0.00 N ATOM 384 CA LYS A 29 26.409 17.233 25.749 1.00 0.00 C ATOM 385 C LYS A 29 25.669 18.581 25.673 1.00 0.00 C ATOM 386 O LYS A 29 25.850 19.333 24.715 1.00 0.00 O ATOM 387 CB LYS A 29 27.723 17.397 26.544 1.00 0.00 C ATOM 388 CG LYS A 29 28.447 16.095 26.936 1.00 0.00 C ATOM 389 CD LYS A 29 27.637 15.231 27.917 1.00 0.00 C ATOM 390 CE LYS A 29 28.480 14.166 28.637 1.00 0.00 C ATOM 391 NZ LYS A 29 29.027 13.140 27.719 1.00 0.00 N ATOM 0 H LYS A 29 27.178 17.490 23.845 1.00 0.00 H new ATOM 0 HA LYS A 29 25.776 16.504 26.255 1.00 0.00 H new ATOM 0 HB2 LYS A 29 28.408 18.005 25.953 1.00 0.00 H new ATOM 0 HB3 LYS A 29 27.505 17.956 27.454 1.00 0.00 H new ATOM 0 HG2 LYS A 29 28.655 15.516 26.036 1.00 0.00 H new ATOM 0 HG3 LYS A 29 29.409 16.341 27.386 1.00 0.00 H new ATOM 0 HD2 LYS A 29 27.172 15.879 28.660 1.00 0.00 H new ATOM 0 HD3 LYS A 29 26.830 14.738 27.374 1.00 0.00 H new ATOM 0 HE2 LYS A 29 29.303 14.654 29.159 1.00 0.00 H new ATOM 0 HE3 LYS A 29 27.867 13.678 29.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 29.585 12.451 28.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 28.245 12.651 27.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 29.636 13.597 27.010 1.00 0.00 H new ATOM 405 N CYS A 30 24.892 18.927 26.694 1.00 0.00 N ATOM 406 CA CYS A 30 24.331 20.267 26.856 1.00 0.00 C ATOM 407 C CYS A 30 25.228 21.156 27.741 1.00 0.00 C ATOM 408 O CYS A 30 26.133 20.652 28.413 1.00 0.00 O ATOM 409 CB CYS A 30 22.907 20.172 27.409 1.00 0.00 C ATOM 410 SG CYS A 30 21.775 18.969 26.639 1.00 0.00 S ATOM 0 H CYS A 30 24.631 18.281 27.439 1.00 0.00 H new ATOM 0 HA CYS A 30 24.289 20.745 25.877 1.00 0.00 H new ATOM 0 HB2 CYS A 30 22.975 19.936 28.471 1.00 0.00 H new ATOM 0 HB3 CYS A 30 22.451 21.159 27.331 1.00 0.00 H new ATOM 415 N VAL A 31 25.005 22.476 27.741 1.00 0.00 N ATOM 416 CA VAL A 31 25.818 23.466 28.486 1.00 0.00 C ATOM 417 C VAL A 31 25.163 23.959 29.794 1.00 0.00 C ATOM 418 O VAL A 31 23.938 23.882 29.944 1.00 0.00 O ATOM 419 CB VAL A 31 26.199 24.680 27.607 1.00 0.00 C ATOM 420 CG1 VAL A 31 26.851 24.262 26.288 1.00 0.00 C ATOM 421 CG2 VAL A 31 25.011 25.599 27.303 1.00 0.00 C ATOM 0 H VAL A 31 24.242 22.902 27.215 1.00 0.00 H new ATOM 0 HA VAL A 31 26.721 22.923 28.764 1.00 0.00 H new ATOM 0 HB VAL A 31 26.921 25.236 28.204 1.00 0.00 H new ATOM 0 HG11 VAL A 31 27.100 25.150 25.707 1.00 0.00 H new ATOM 0 HG12 VAL A 31 27.760 23.697 26.494 1.00 0.00 H new ATOM 0 HG13 VAL A 31 26.159 23.640 25.721 1.00 0.00 H new ATOM 0 HG21 VAL A 31 25.344 26.431 26.683 1.00 0.00 H new ATOM 0 HG22 VAL A 31 24.242 25.037 26.773 1.00 0.00 H new ATOM 0 HG23 VAL A 31 24.600 25.984 28.237 1.00 0.00 H new