USER MOD reduce.3.24.130724 H: found=0, std=0, add=508, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 508 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 11 THR OG1 : rot 180:sc= 0.0573 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 77:sc= 0.449 USER MOD Single : A 19 TYR OH : rot -172:sc= 0.0228 USER MOD Single : A 35 HIS : no HD1:sc= -0.0146 X(o=-0.015,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.0479 X(o=-0.048,f=-0.048) USER MOD Single : A 66 SER OG : rot 79:sc= 0.259 USER MOD Single : A 67 SER OG : rot 40:sc= -0.22 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 117 N ALA A 10 18.243 1.848 -6.931 1.00 52.43 N ATOM 118 CA ALA A 10 19.061 2.285 -8.054 1.00 41.34 C ATOM 119 C ALA A 10 19.310 1.162 -9.067 1.00 21.23 C ATOM 120 O ALA A 10 19.468 1.406 -10.266 1.00 23.24 O ATOM 121 CB ALA A 10 20.409 2.809 -7.520 1.00 4.41 C ATOM 0 HA ALA A 10 18.519 3.075 -8.574 1.00 41.34 H new ATOM 0 HB1 ALA A 10 21.028 3.138 -8.355 1.00 4.41 H new ATOM 0 HB2 ALA A 10 20.232 3.647 -6.846 1.00 4.41 H new ATOM 0 HB3 ALA A 10 20.921 2.012 -6.981 1.00 4.41 H new ATOM 127 N THR A 11 19.324 -0.073 -8.592 1.00 62.53 N ATOM 128 CA THR A 11 19.560 -1.221 -9.458 1.00 64.32 C ATOM 129 C THR A 11 18.403 -1.457 -10.426 1.00 44.14 C ATOM 130 O THR A 11 18.607 -2.013 -11.488 1.00 24.24 O ATOM 131 CB THR A 11 19.722 -2.509 -8.642 1.00 23.02 C ATOM 132 OG1 THR A 11 20.114 -2.159 -7.305 1.00 4.22 O ATOM 133 CG2 THR A 11 20.777 -3.443 -9.251 1.00 40.03 C ATOM 0 H THR A 11 19.175 -0.308 -7.611 1.00 62.53 H new ATOM 0 HA THR A 11 20.471 -0.990 -10.009 1.00 64.32 H new ATOM 0 HB THR A 11 18.769 -3.039 -8.644 1.00 23.02 H new ATOM 0 HG1 THR A 11 20.220 -2.974 -6.771 1.00 4.22 H new ATOM 0 HG21 THR A 11 20.861 -4.343 -8.642 1.00 40.03 H new ATOM 0 HG22 THR A 11 20.480 -3.716 -10.264 1.00 40.03 H new ATOM 0 HG23 THR A 11 21.740 -2.934 -9.280 1.00 40.03 H new ATOM 141 N GLU A 12 17.201 -1.035 -10.074 1.00 54.20 N ATOM 142 CA GLU A 12 16.045 -1.285 -10.933 1.00 50.21 C ATOM 143 C GLU A 12 16.226 -0.569 -12.257 1.00 12.33 C ATOM 144 O GLU A 12 15.881 -1.110 -13.311 1.00 70.43 O ATOM 145 CB GLU A 12 14.790 -0.791 -10.247 1.00 72.53 C ATOM 146 CG GLU A 12 14.409 -1.624 -9.025 1.00 74.22 C ATOM 147 CD GLU A 12 13.385 -0.948 -8.162 1.00 23.50 C ATOM 148 OE1 GLU A 12 12.508 -0.242 -8.682 1.00 45.03 O ATOM 149 OE2 GLU A 12 13.482 -1.106 -6.934 1.00 24.05 O ATOM 0 H GLU A 12 16.996 -0.525 -9.215 1.00 54.20 H new ATOM 0 HA GLU A 12 15.956 -2.355 -11.118 1.00 50.21 H new ATOM 0 HB2 GLU A 12 14.933 0.246 -9.942 1.00 72.53 H new ATOM 0 HB3 GLU A 12 13.965 -0.803 -10.959 1.00 72.53 H new ATOM 0 HG2 GLU A 12 14.022 -2.588 -9.354 1.00 74.22 H new ATOM 0 HG3 GLU A 12 15.302 -1.824 -8.433 1.00 74.22 H new ATOM 156 N LYS A 13 16.833 0.625 -12.216 1.00 43.25 N ATOM 157 CA LYS A 13 17.048 1.387 -13.427 1.00 75.52 C ATOM 158 C LYS A 13 18.031 0.693 -14.355 1.00 63.12 C ATOM 159 O LYS A 13 17.934 0.877 -15.568 1.00 21.41 O ATOM 160 CB LYS A 13 17.466 2.803 -13.074 1.00 22.12 C ATOM 161 CG LYS A 13 18.978 3.002 -13.051 1.00 34.42 C ATOM 162 CD LYS A 13 19.362 4.332 -12.401 1.00 72.23 C ATOM 163 CE LYS A 13 20.890 4.479 -12.516 1.00 51.14 C ATOM 164 NZ LYS A 13 21.400 5.782 -11.942 1.00 71.13 N ATOM 0 H LYS A 13 17.175 1.069 -11.364 1.00 43.25 H new ATOM 0 HA LYS A 13 16.112 1.448 -13.982 1.00 75.52 H new ATOM 0 HB2 LYS A 13 17.027 3.493 -13.795 1.00 22.12 H new ATOM 0 HB3 LYS A 13 17.058 3.061 -12.097 1.00 22.12 H new ATOM 0 HG2 LYS A 13 19.445 2.182 -12.506 1.00 34.42 H new ATOM 0 HG3 LYS A 13 19.365 2.969 -14.069 1.00 34.42 H new ATOM 0 HD2 LYS A 13 18.859 5.161 -12.898 1.00 72.23 H new ATOM 0 HD3 LYS A 13 19.052 4.352 -11.356 1.00 72.23 H new ATOM 0 HE2 LYS A 13 21.370 3.648 -12.000 1.00 51.14 H new ATOM 0 HE3 LYS A 13 21.179 4.412 -13.565 1.00 51.14 H new ATOM 0 HZ1 LYS A 13 22.434 5.826 -12.047 1.00 71.13 H new ATOM 0 HZ2 LYS A 13 20.966 6.579 -12.450 1.00 71.13 H new ATOM 0 HZ3 LYS A 13 21.151 5.838 -10.934 1.00 71.13 H new ATOM 178 N VAL A 14 18.993 -0.044 -13.791 1.00 21.44 N ATOM 179 CA VAL A 14 20.014 -0.693 -14.612 1.00 22.13 C ATOM 180 C VAL A 14 19.410 -1.948 -15.239 1.00 43.13 C ATOM 181 O VAL A 14 19.646 -2.251 -16.398 1.00 31.54 O ATOM 182 CB VAL A 14 21.362 -0.979 -13.827 1.00 13.15 C ATOM 183 CG1 VAL A 14 21.637 0.151 -12.795 1.00 40.24 C ATOM 184 CG2 VAL A 14 21.395 -2.331 -13.109 1.00 14.10 C ATOM 0 H VAL A 14 19.084 -0.203 -12.788 1.00 21.44 H new ATOM 0 HA VAL A 14 20.313 -0.008 -15.405 1.00 22.13 H new ATOM 0 HB VAL A 14 22.141 -1.008 -14.589 1.00 13.15 H new ATOM 0 HG11 VAL A 14 22.565 -0.059 -12.264 1.00 40.24 H new ATOM 0 HG12 VAL A 14 21.724 1.105 -13.315 1.00 40.24 H new ATOM 0 HG13 VAL A 14 20.814 0.200 -12.082 1.00 40.24 H new ATOM 0 HG21 VAL A 14 22.350 -2.448 -12.597 1.00 14.10 H new ATOM 0 HG22 VAL A 14 20.585 -2.376 -12.381 1.00 14.10 H new ATOM 0 HG23 VAL A 14 21.273 -3.133 -13.837 1.00 14.10 H new ATOM 194 N LEU A 15 18.560 -2.638 -14.494 1.00 12.23 N ATOM 195 CA LEU A 15 17.957 -3.864 -14.977 1.00 22.34 C ATOM 196 C LEU A 15 16.995 -3.575 -16.116 1.00 1.40 C ATOM 197 O LEU A 15 17.007 -4.277 -17.132 1.00 62.51 O ATOM 198 CB LEU A 15 17.217 -4.550 -13.844 1.00 13.14 C ATOM 199 CG LEU A 15 18.127 -5.054 -12.716 1.00 4.53 C ATOM 200 CD1 LEU A 15 17.327 -5.203 -11.480 1.00 33.41 C ATOM 201 CD2 LEU A 15 18.782 -6.357 -13.088 1.00 34.51 C ATOM 0 H LEU A 15 18.274 -2.367 -13.553 1.00 12.23 H new ATOM 0 HA LEU A 15 18.747 -4.518 -15.347 1.00 22.34 H new ATOM 0 HB2 LEU A 15 16.489 -3.854 -13.426 1.00 13.14 H new ATOM 0 HB3 LEU A 15 16.656 -5.393 -14.248 1.00 13.14 H new ATOM 0 HG LEU A 15 18.922 -4.328 -12.549 1.00 4.53 H new ATOM 0 HD11 LEU A 15 17.967 -5.561 -10.673 1.00 33.41 H new ATOM 0 HD12 LEU A 15 16.901 -4.239 -11.204 1.00 33.41 H new ATOM 0 HD13 LEU A 15 16.523 -5.919 -11.651 1.00 33.41 H new ATOM 0 HD21 LEU A 15 19.421 -6.690 -12.270 1.00 34.51 H new ATOM 0 HD22 LEU A 15 18.015 -7.108 -13.279 1.00 34.51 H new ATOM 0 HD23 LEU A 15 19.385 -6.218 -13.985 1.00 34.51 H new ATOM 213 N CYS A 16 16.195 -2.529 -15.970 1.00 33.10 N ATOM 214 CA CYS A 16 15.314 -2.143 -17.030 1.00 35.52 C ATOM 215 C CYS A 16 16.119 -1.771 -18.280 1.00 75.11 C ATOM 216 O CYS A 16 15.662 -2.020 -19.407 1.00 43.10 O ATOM 217 CB CYS A 16 14.421 -0.960 -16.584 1.00 75.43 C ATOM 218 SG CYS A 16 13.350 -1.390 -15.205 1.00 10.23 S ATOM 0 H CYS A 16 16.147 -1.947 -15.134 1.00 33.10 H new ATOM 0 HA CYS A 16 14.669 -2.987 -17.274 1.00 35.52 H new ATOM 0 HB2 CYS A 16 15.053 -0.118 -16.301 1.00 75.43 H new ATOM 0 HB3 CYS A 16 13.811 -0.632 -17.425 1.00 75.43 H new ATOM 0 HG CYS A 16 14.042 -1.399 -14.104 1.00 10.23 H new ATOM 224 N ALA A 17 17.275 -1.140 -18.109 1.00 15.23 N ATOM 225 CA ALA A 17 18.086 -0.774 -19.262 1.00 62.52 C ATOM 226 C ALA A 17 18.633 -1.987 -20.001 1.00 13.20 C ATOM 227 O ALA A 17 18.576 -2.062 -21.205 1.00 64.35 O ATOM 228 CB ALA A 17 19.260 0.135 -18.801 1.00 54.41 C ATOM 0 H ALA A 17 17.665 -0.876 -17.204 1.00 15.23 H new ATOM 0 HA ALA A 17 17.441 -0.238 -19.959 1.00 62.52 H new ATOM 0 HB1 ALA A 17 19.868 0.410 -19.663 1.00 54.41 H new ATOM 0 HB2 ALA A 17 18.861 1.037 -18.336 1.00 54.41 H new ATOM 0 HB3 ALA A 17 19.875 -0.403 -18.080 1.00 54.41 H new ATOM 234 N LEU A 18 19.109 -2.934 -19.241 1.00 73.01 N ATOM 235 CA LEU A 18 19.654 -4.159 -19.772 1.00 50.20 C ATOM 236 C LEU A 18 18.601 -4.986 -20.490 1.00 63.32 C ATOM 237 O LEU A 18 18.895 -5.632 -21.497 1.00 54.22 O ATOM 238 CB LEU A 18 20.272 -4.994 -18.626 1.00 73.21 C ATOM 239 CG LEU A 18 21.798 -4.963 -18.373 1.00 1.40 C ATOM 240 CD1 LEU A 18 22.616 -4.678 -19.599 1.00 42.31 C ATOM 241 CD2 LEU A 18 22.161 -3.941 -17.283 1.00 32.35 C ATOM 0 H LEU A 18 19.131 -2.879 -18.223 1.00 73.01 H new ATOM 0 HA LEU A 18 20.421 -3.891 -20.499 1.00 50.20 H new ATOM 0 HB2 LEU A 18 19.785 -4.683 -17.702 1.00 73.21 H new ATOM 0 HB3 LEU A 18 19.995 -6.034 -18.798 1.00 73.21 H new ATOM 0 HG LEU A 18 22.046 -5.972 -18.045 1.00 1.40 H new ATOM 0 HD11 LEU A 18 23.674 -4.673 -19.337 1.00 42.31 H new ATOM 0 HD12 LEU A 18 22.430 -5.448 -20.347 1.00 42.31 H new ATOM 0 HD13 LEU A 18 22.338 -3.705 -20.004 1.00 42.31 H new ATOM 0 HD21 LEU A 18 23.240 -3.942 -17.128 1.00 32.35 H new ATOM 0 HD22 LEU A 18 21.841 -2.947 -17.595 1.00 32.35 H new ATOM 0 HD23 LEU A 18 21.660 -4.208 -16.352 1.00 32.35 H new ATOM 253 N TYR A 19 17.382 -4.946 -20.013 1.00 65.21 N ATOM 254 CA TYR A 19 16.277 -5.619 -20.696 1.00 35.02 C ATOM 255 C TYR A 19 16.025 -4.897 -22.027 1.00 32.42 C ATOM 256 O TYR A 19 15.876 -5.532 -23.061 1.00 32.24 O ATOM 257 CB TYR A 19 14.981 -5.565 -19.853 1.00 31.54 C ATOM 258 CG TYR A 19 14.868 -6.582 -18.702 1.00 52.42 C ATOM 259 CD1 TYR A 19 15.988 -6.997 -17.954 1.00 74.12 C ATOM 260 CD2 TYR A 19 13.597 -7.093 -18.340 1.00 61.24 C ATOM 261 CE1 TYR A 19 15.845 -7.923 -16.865 1.00 15.34 C ATOM 262 CE2 TYR A 19 13.452 -8.016 -17.271 1.00 31.34 C ATOM 263 CZ TYR A 19 14.580 -8.419 -16.541 1.00 32.45 C ATOM 264 OH TYR A 19 14.454 -9.312 -15.488 1.00 32.01 O ATOM 0 H TYR A 19 17.118 -4.459 -19.157 1.00 65.21 H new ATOM 0 HA TYR A 19 16.544 -6.664 -20.853 1.00 35.02 H new ATOM 0 HB2 TYR A 19 14.888 -4.563 -19.434 1.00 31.54 H new ATOM 0 HB3 TYR A 19 14.133 -5.711 -20.522 1.00 31.54 H new ATOM 0 HD1 TYR A 19 16.967 -6.614 -18.203 1.00 74.12 H new ATOM 0 HD2 TYR A 19 12.722 -6.774 -18.887 1.00 61.24 H new ATOM 0 HE1 TYR A 19 16.711 -8.234 -16.300 1.00 15.34 H new ATOM 0 HE2 TYR A 19 12.477 -8.406 -17.021 1.00 31.34 H new ATOM 0 HH TYR A 19 13.538 -9.659 -15.461 1.00 32.01 H new ATOM 274 N ALA A 20 15.979 -3.568 -21.988 1.00 31.34 N ATOM 275 CA ALA A 20 15.663 -2.757 -23.169 1.00 75.51 C ATOM 276 C ALA A 20 16.710 -2.887 -24.277 1.00 42.30 C ATOM 277 O ALA A 20 16.347 -2.867 -25.436 1.00 2.44 O ATOM 278 CB ALA A 20 15.534 -1.286 -22.763 1.00 21.43 C ATOM 0 H ALA A 20 16.158 -3.022 -21.145 1.00 31.34 H new ATOM 0 HA ALA A 20 14.720 -3.130 -23.569 1.00 75.51 H new ATOM 0 HB1 ALA A 20 15.299 -0.685 -23.642 1.00 21.43 H new ATOM 0 HB2 ALA A 20 14.737 -1.180 -22.027 1.00 21.43 H new ATOM 0 HB3 ALA A 20 16.474 -0.944 -22.330 1.00 21.43 H new ATOM 284 N GLU A 21 17.982 -3.045 -23.923 1.00 61.34 N ATOM 285 CA GLU A 21 19.053 -3.210 -24.916 1.00 15.55 C ATOM 286 C GLU A 21 18.795 -4.417 -25.802 1.00 1.41 C ATOM 287 O GLU A 21 19.096 -4.420 -26.987 1.00 70.13 O ATOM 288 CB GLU A 21 20.392 -3.512 -24.219 1.00 74.45 C ATOM 289 CG GLU A 21 21.112 -2.362 -23.564 1.00 24.35 C ATOM 290 CD GLU A 21 22.456 -2.814 -22.991 1.00 63.03 C ATOM 291 OE1 GLU A 21 22.772 -4.027 -22.997 1.00 71.21 O ATOM 292 OE2 GLU A 21 23.240 -1.938 -22.561 1.00 62.32 O ATOM 0 H GLU A 21 18.303 -3.063 -22.955 1.00 61.34 H new ATOM 0 HA GLU A 21 19.083 -2.284 -25.491 1.00 15.55 H new ATOM 0 HB2 GLU A 21 20.211 -4.272 -23.459 1.00 74.45 H new ATOM 0 HB3 GLU A 21 21.063 -3.952 -24.957 1.00 74.45 H new ATOM 0 HG2 GLU A 21 21.272 -1.566 -24.291 1.00 24.35 H new ATOM 0 HG3 GLU A 21 20.494 -1.947 -22.768 1.00 24.35 H new ATOM 299 N ILE A 22 18.360 -5.483 -25.165 1.00 60.12 N ATOM 300 CA ILE A 22 18.231 -6.764 -25.829 1.00 42.51 C ATOM 301 C ILE A 22 16.904 -6.804 -26.583 1.00 1.34 C ATOM 302 O ILE A 22 16.825 -7.342 -27.689 1.00 22.54 O ATOM 303 CB ILE A 22 18.337 -7.894 -24.778 1.00 22.50 C ATOM 304 CG1 ILE A 22 19.751 -7.859 -24.155 1.00 43.44 C ATOM 305 CG2 ILE A 22 18.092 -9.277 -25.425 1.00 63.21 C ATOM 306 CD1 ILE A 22 19.927 -8.745 -22.938 1.00 41.21 C ATOM 0 H ILE A 22 18.088 -5.488 -24.182 1.00 60.12 H new ATOM 0 HA ILE A 22 19.032 -6.908 -26.554 1.00 42.51 H new ATOM 0 HB ILE A 22 17.578 -7.738 -24.011 1.00 22.50 H new ATOM 0 HG12 ILE A 22 20.475 -8.158 -24.913 1.00 43.44 H new ATOM 0 HG13 ILE A 22 19.986 -6.832 -23.877 1.00 43.44 H new ATOM 0 HG21 ILE A 22 18.172 -10.054 -24.665 1.00 63.21 H new ATOM 0 HG22 ILE A 22 17.095 -9.301 -25.865 1.00 63.21 H new ATOM 0 HG23 ILE A 22 18.836 -9.452 -26.202 1.00 63.21 H new ATOM 0 HD11 ILE A 22 20.949 -8.657 -22.568 1.00 41.21 H new ATOM 0 HD12 ILE A 22 19.231 -8.435 -22.158 1.00 41.21 H new ATOM 0 HD13 ILE A 22 19.728 -9.781 -23.211 1.00 41.21 H new ATOM 318 N LEU A 23 15.858 -6.286 -25.960 1.00 14.14 N ATOM 319 CA LEU A 23 14.509 -6.329 -26.522 1.00 62.42 C ATOM 320 C LEU A 23 14.266 -5.244 -27.571 1.00 32.53 C ATOM 321 O LEU A 23 13.332 -5.336 -28.363 1.00 54.43 O ATOM 322 CB LEU A 23 13.472 -6.214 -25.395 1.00 14.54 C ATOM 323 CG LEU A 23 13.029 -7.515 -24.690 1.00 61.35 C ATOM 324 CD1 LEU A 23 12.286 -8.448 -25.625 1.00 41.45 C ATOM 325 CD2 LEU A 23 14.161 -8.307 -24.025 1.00 24.45 C ATOM 0 H LEU A 23 15.915 -5.824 -25.052 1.00 14.14 H new ATOM 0 HA LEU A 23 14.405 -7.287 -27.031 1.00 62.42 H new ATOM 0 HB2 LEU A 23 13.874 -5.542 -24.637 1.00 14.54 H new ATOM 0 HB3 LEU A 23 12.583 -5.736 -25.805 1.00 14.54 H new ATOM 0 HG LEU A 23 12.369 -7.157 -23.900 1.00 61.35 H new ATOM 0 HD11 LEU A 23 11.995 -9.349 -25.085 1.00 41.45 H new ATOM 0 HD12 LEU A 23 11.395 -7.949 -26.005 1.00 41.45 H new ATOM 0 HD13 LEU A 23 12.933 -8.719 -26.459 1.00 41.45 H new ATOM 0 HD21 LEU A 23 13.752 -9.203 -23.557 1.00 24.45 H new ATOM 0 HD22 LEU A 23 14.895 -8.594 -24.778 1.00 24.45 H new ATOM 0 HD23 LEU A 23 14.641 -7.688 -23.267 1.00 24.45 H new ATOM 337 N GLY A 24 15.102 -4.221 -27.606 1.00 60.14 N ATOM 338 CA GLY A 24 14.952 -3.175 -28.596 1.00 24.45 C ATOM 339 C GLY A 24 13.769 -2.266 -28.326 1.00 75.11 C ATOM 340 O GLY A 24 13.150 -1.775 -29.258 1.00 53.50 O ATOM 0 H GLY A 24 15.885 -4.095 -26.965 1.00 60.14 H new ATOM 0 HA2 GLY A 24 15.863 -2.577 -28.625 1.00 24.45 H new ATOM 0 HA3 GLY A 24 14.837 -3.628 -29.580 1.00 24.45 H new ATOM 344 N VAL A 25 13.432 -2.036 -27.060 1.00 31.12 N ATOM 345 CA VAL A 25 12.277 -1.205 -26.729 1.00 44.13 C ATOM 346 C VAL A 25 12.644 0.144 -26.160 1.00 52.42 C ATOM 347 O VAL A 25 13.708 0.363 -25.615 1.00 44.11 O ATOM 348 CB VAL A 25 11.326 -1.905 -25.708 1.00 70.24 C ATOM 349 CG1 VAL A 25 10.809 -3.192 -26.242 1.00 23.24 C ATOM 350 CG2 VAL A 25 12.027 -2.166 -24.369 1.00 5.34 C ATOM 0 H VAL A 25 13.935 -2.408 -26.254 1.00 31.12 H new ATOM 0 HA VAL A 25 11.773 -1.058 -27.684 1.00 44.13 H new ATOM 0 HB VAL A 25 10.492 -1.223 -25.545 1.00 70.24 H new ATOM 0 HG11 VAL A 25 10.150 -3.653 -25.506 1.00 23.24 H new ATOM 0 HG12 VAL A 25 10.253 -3.007 -27.161 1.00 23.24 H new ATOM 0 HG13 VAL A 25 11.644 -3.861 -26.451 1.00 23.24 H new ATOM 0 HG21 VAL A 25 11.333 -2.654 -23.684 1.00 5.34 H new ATOM 0 HG22 VAL A 25 12.891 -2.810 -24.530 1.00 5.34 H new ATOM 0 HG23 VAL A 25 12.355 -1.219 -23.939 1.00 5.34 H new ATOM 360 N GLU A 26 11.665 1.029 -26.232 1.00 71.10 N ATOM 361 CA GLU A 26 11.760 2.390 -25.769 1.00 15.24 C ATOM 362 C GLU A 26 11.837 2.430 -24.250 1.00 64.44 C ATOM 363 O GLU A 26 12.474 3.322 -23.679 1.00 72.54 O ATOM 364 CB GLU A 26 10.492 3.095 -26.198 1.00 35.10 C ATOM 365 CG GLU A 26 10.328 3.112 -27.728 1.00 20.13 C ATOM 366 CD GLU A 26 11.226 4.122 -28.399 1.00 14.43 C ATOM 367 OE1 GLU A 26 11.387 5.270 -27.889 1.00 22.55 O ATOM 368 OE2 GLU A 26 11.765 3.779 -29.458 1.00 53.24 O ATOM 0 H GLU A 26 10.753 0.805 -26.630 1.00 71.10 H new ATOM 0 HA GLU A 26 12.652 2.863 -26.180 1.00 15.24 H new ATOM 0 HB2 GLU A 26 9.632 2.600 -25.747 1.00 35.10 H new ATOM 0 HB3 GLU A 26 10.503 4.119 -25.824 1.00 35.10 H new ATOM 0 HG2 GLU A 26 10.545 2.120 -28.124 1.00 20.13 H new ATOM 0 HG3 GLU A 26 9.290 3.334 -27.976 1.00 20.13 H new ATOM 375 N ARG A 27 11.160 1.491 -23.593 1.00 71.23 N ATOM 376 CA ARG A 27 11.097 1.516 -22.127 1.00 62.04 C ATOM 377 C ARG A 27 10.710 0.152 -21.573 1.00 25.40 C ATOM 378 O ARG A 27 9.915 -0.553 -22.161 1.00 53.44 O ATOM 379 CB ARG A 27 10.043 2.555 -21.681 1.00 61.41 C ATOM 380 CG ARG A 27 10.051 2.848 -20.162 1.00 53.22 C ATOM 381 CD ARG A 27 9.137 4.007 -19.858 1.00 31.32 C ATOM 382 NE ARG A 27 9.643 5.253 -20.459 1.00 25.34 N ATOM 383 CZ ARG A 27 9.012 6.415 -20.463 1.00 62.11 C ATOM 384 NH1 ARG A 27 7.832 6.560 -19.919 1.00 51.32 N ATOM 385 NH2 ARG A 27 9.587 7.448 -21.031 1.00 74.01 N ATOM 0 H ARG A 27 10.658 0.721 -24.035 1.00 71.23 H new ATOM 0 HA ARG A 27 12.083 1.782 -21.745 1.00 62.04 H new ATOM 0 HB2 ARG A 27 10.215 3.486 -22.221 1.00 61.41 H new ATOM 0 HB3 ARG A 27 9.053 2.199 -21.967 1.00 61.41 H new ATOM 0 HG2 ARG A 27 9.728 1.965 -19.611 1.00 53.22 H new ATOM 0 HG3 ARG A 27 11.064 3.077 -19.832 1.00 53.22 H new ATOM 0 HD2 ARG A 27 8.138 3.796 -20.239 1.00 31.32 H new ATOM 0 HD3 ARG A 27 9.048 4.130 -18.779 1.00 31.32 H new ATOM 0 HE ARG A 27 10.557 5.216 -20.910 1.00 25.34 H new ATOM 0 HH11 ARG A 27 7.373 5.764 -19.476 1.00 51.32 H new ATOM 0 HH12 ARG A 27 7.370 7.469 -19.938 1.00 51.32 H new ATOM 0 HH21 ARG A 27 10.507 7.347 -21.461 1.00 74.01 H new ATOM 0 HH22 ARG A 27 9.114 8.352 -21.043 1.00 74.01 H new ATOM 399 N VAL A 28 11.238 -0.171 -20.405 1.00 3.33 N ATOM 400 CA VAL A 28 10.865 -1.366 -19.663 1.00 43.22 C ATOM 401 C VAL A 28 10.485 -0.866 -18.277 1.00 73.23 C ATOM 402 O VAL A 28 11.198 -0.043 -17.700 1.00 51.40 O ATOM 403 CB VAL A 28 12.060 -2.339 -19.555 1.00 52.12 C ATOM 404 CG1 VAL A 28 11.733 -3.530 -18.634 1.00 21.12 C ATOM 405 CG2 VAL A 28 12.427 -2.860 -20.930 1.00 70.41 C ATOM 0 H VAL A 28 11.947 0.395 -19.938 1.00 3.33 H new ATOM 0 HA VAL A 28 10.054 -1.906 -20.152 1.00 43.22 H new ATOM 0 HB VAL A 28 12.899 -1.790 -19.127 1.00 52.12 H new ATOM 0 HG11 VAL A 28 12.595 -4.195 -18.580 1.00 21.12 H new ATOM 0 HG12 VAL A 28 11.494 -3.163 -17.636 1.00 21.12 H new ATOM 0 HG13 VAL A 28 10.878 -4.075 -19.034 1.00 21.12 H new ATOM 0 HG21 VAL A 28 13.270 -3.545 -20.846 1.00 70.41 H new ATOM 0 HG22 VAL A 28 11.574 -3.385 -21.360 1.00 70.41 H new ATOM 0 HG23 VAL A 28 12.701 -2.025 -21.574 1.00 70.41 H new ATOM 415 N GLY A 29 9.352 -1.333 -17.771 1.00 34.25 N ATOM 416 CA GLY A 29 8.901 -0.984 -16.439 1.00 11.24 C ATOM 417 C GLY A 29 9.412 -2.020 -15.454 1.00 3.20 C ATOM 418 O GLY A 29 9.785 -3.113 -15.843 1.00 61.11 O ATOM 0 H GLY A 29 8.725 -1.962 -18.273 1.00 34.25 H new ATOM 0 HA2 GLY A 29 9.266 0.006 -16.166 1.00 11.24 H new ATOM 0 HA3 GLY A 29 7.812 -0.942 -16.410 1.00 11.24 H new ATOM 422 N VAL A 30 9.423 -1.697 -14.179 1.00 75.04 N ATOM 423 CA VAL A 30 9.956 -2.623 -13.173 1.00 14.34 C ATOM 424 C VAL A 30 9.073 -3.831 -12.913 1.00 62.32 C ATOM 425 O VAL A 30 9.511 -4.790 -12.264 1.00 34.13 O ATOM 426 CB VAL A 30 10.201 -1.921 -11.817 1.00 43.42 C ATOM 427 CG1 VAL A 30 11.303 -0.900 -11.978 1.00 70.04 C ATOM 428 CG2 VAL A 30 8.932 -1.246 -11.282 1.00 55.45 C ATOM 0 H VAL A 30 9.076 -0.813 -13.806 1.00 75.04 H new ATOM 0 HA VAL A 30 10.895 -2.969 -13.606 1.00 14.34 H new ATOM 0 HB VAL A 30 10.495 -2.679 -11.091 1.00 43.42 H new ATOM 0 HG11 VAL A 30 11.480 -0.402 -11.025 1.00 70.04 H new ATOM 0 HG12 VAL A 30 12.217 -1.399 -12.302 1.00 70.04 H new ATOM 0 HG13 VAL A 30 11.009 -0.162 -12.724 1.00 70.04 H new ATOM 0 HG21 VAL A 30 9.150 -0.766 -10.328 1.00 55.45 H new ATOM 0 HG22 VAL A 30 8.590 -0.497 -11.996 1.00 55.45 H new ATOM 0 HG23 VAL A 30 8.153 -1.995 -11.141 1.00 55.45 H new ATOM 438 N ASP A 31 7.870 -3.812 -13.465 1.00 21.43 N ATOM 439 CA ASP A 31 6.938 -4.939 -13.365 1.00 55.23 C ATOM 440 C ASP A 31 6.784 -5.629 -14.730 1.00 40.24 C ATOM 441 O ASP A 31 5.959 -6.518 -14.889 1.00 53.21 O ATOM 442 CB ASP A 31 5.568 -4.469 -12.869 1.00 3.02 C ATOM 443 CG ASP A 31 5.541 -4.279 -11.372 1.00 42.32 C ATOM 444 OD1 ASP A 31 5.679 -5.295 -10.648 1.00 65.34 O ATOM 445 OD2 ASP A 31 5.364 -3.132 -10.897 1.00 42.01 O ATOM 0 H ASP A 31 7.507 -3.020 -13.995 1.00 21.43 H new ATOM 0 HA ASP A 31 7.346 -5.651 -12.647 1.00 55.23 H new ATOM 0 HB2 ASP A 31 5.308 -3.530 -13.358 1.00 3.02 H new ATOM 0 HB3 ASP A 31 4.810 -5.198 -13.155 1.00 3.02 H new ATOM 450 N ASP A 32 7.569 -5.222 -15.702 1.00 42.44 N ATOM 451 CA ASP A 32 7.507 -5.845 -17.031 1.00 64.45 C ATOM 452 C ASP A 32 8.373 -7.090 -17.016 1.00 3.45 C ATOM 453 O ASP A 32 9.580 -7.029 -16.811 1.00 22.33 O ATOM 454 CB ASP A 32 8.022 -4.908 -18.139 1.00 15.35 C ATOM 455 CG ASP A 32 7.056 -3.785 -18.444 1.00 52.44 C ATOM 456 OD1 ASP A 32 5.918 -3.801 -17.941 1.00 32.43 O ATOM 457 OD2 ASP A 32 7.466 -2.836 -19.134 1.00 55.21 O ATOM 0 H ASP A 32 8.255 -4.472 -15.613 1.00 42.44 H new ATOM 0 HA ASP A 32 6.464 -6.078 -17.246 1.00 64.45 H new ATOM 0 HB2 ASP A 32 8.981 -4.486 -17.837 1.00 15.35 H new ATOM 0 HB3 ASP A 32 8.200 -5.486 -19.046 1.00 15.35 H new ATOM 462 N ALA A 33 7.736 -8.234 -17.199 1.00 51.02 N ATOM 463 CA ALA A 33 8.448 -9.489 -17.173 1.00 14.52 C ATOM 464 C ALA A 33 9.245 -9.632 -18.475 1.00 31.32 C ATOM 465 O ALA A 33 8.787 -9.197 -19.522 1.00 24.43 O ATOM 466 CB ALA A 33 7.467 -10.641 -16.988 1.00 62.01 C ATOM 0 H ALA A 33 6.733 -8.314 -17.366 1.00 51.02 H new ATOM 0 HA ALA A 33 9.143 -9.512 -16.333 1.00 14.52 H new ATOM 0 HB1 ALA A 33 8.013 -11.584 -16.970 1.00 62.01 H new ATOM 0 HB2 ALA A 33 6.930 -10.514 -16.048 1.00 62.01 H new ATOM 0 HB3 ALA A 33 6.756 -10.649 -17.814 1.00 62.01 H new ATOM 472 N PHE A 34 10.385 -10.299 -18.422 1.00 45.34 N ATOM 473 CA PHE A 34 11.198 -10.515 -19.624 1.00 22.45 C ATOM 474 C PHE A 34 10.394 -11.264 -20.692 1.00 15.01 C ATOM 475 O PHE A 34 10.601 -11.074 -21.878 1.00 0.13 O ATOM 476 CB PHE A 34 12.470 -11.294 -19.257 1.00 42.30 C ATOM 477 CG PHE A 34 13.564 -11.220 -20.295 1.00 54.13 C ATOM 478 CD1 PHE A 34 14.443 -10.130 -20.321 1.00 11.34 C ATOM 479 CD2 PHE A 34 13.727 -12.246 -21.249 1.00 14.35 C ATOM 480 CE1 PHE A 34 15.485 -10.058 -21.285 1.00 71.43 C ATOM 481 CE2 PHE A 34 14.765 -12.179 -22.219 1.00 24.43 C ATOM 482 CZ PHE A 34 15.639 -11.086 -22.230 1.00 25.54 C ATOM 0 H PHE A 34 10.774 -10.701 -17.569 1.00 45.34 H new ATOM 0 HA PHE A 34 11.484 -9.547 -20.036 1.00 22.45 H new ATOM 0 HB2 PHE A 34 12.856 -10.913 -18.312 1.00 42.30 H new ATOM 0 HB3 PHE A 34 12.208 -12.340 -19.096 1.00 42.30 H new ATOM 0 HD1 PHE A 34 14.328 -9.334 -19.600 1.00 11.34 H new ATOM 0 HD2 PHE A 34 13.056 -13.092 -21.243 1.00 14.35 H new ATOM 0 HE1 PHE A 34 16.158 -9.213 -21.291 1.00 71.43 H new ATOM 0 HE2 PHE A 34 14.879 -12.970 -22.946 1.00 24.43 H new ATOM 0 HZ PHE A 34 16.430 -11.033 -22.963 1.00 25.54 H new ATOM 492 N HIS A 35 9.458 -12.099 -20.250 1.00 2.52 N ATOM 493 CA HIS A 35 8.598 -12.831 -21.175 1.00 71.12 C ATOM 494 C HIS A 35 7.400 -11.985 -21.658 1.00 51.11 C ATOM 495 O HIS A 35 6.899 -12.212 -22.743 1.00 64.12 O ATOM 496 CB HIS A 35 8.078 -14.092 -20.501 1.00 42.14 C ATOM 497 CG HIS A 35 7.451 -15.068 -21.455 1.00 3.40 C ATOM 498 ND1 HIS A 35 6.459 -15.944 -21.110 1.00 42.02 N ATOM 499 CD2 HIS A 35 7.685 -15.304 -22.779 1.00 53.33 C ATOM 500 CE1 HIS A 35 6.128 -16.638 -22.192 1.00 53.25 C ATOM 501 NE2 HIS A 35 6.847 -16.289 -23.243 1.00 40.13 N ATOM 0 H HIS A 35 9.276 -12.285 -19.264 1.00 2.52 H new ATOM 0 HA HIS A 35 9.201 -13.083 -22.047 1.00 71.12 H new ATOM 0 HB2 HIS A 35 8.901 -14.582 -19.981 1.00 42.14 H new ATOM 0 HB3 HIS A 35 7.344 -13.814 -19.744 1.00 42.14 H new ATOM 0 HD2 HIS A 35 8.423 -14.790 -23.376 1.00 53.33 H new ATOM 0 HE1 HIS A 35 5.361 -17.398 -22.210 1.00 53.25 H new ATOM 0 HE2 HIS A 35 6.792 -16.667 -24.189 1.00 40.13 H new ATOM 509 N ASP A 36 6.956 -11.015 -20.859 1.00 34.22 N ATOM 510 CA ASP A 36 5.825 -10.140 -21.236 1.00 3.33 C ATOM 511 C ASP A 36 6.285 -9.250 -22.376 1.00 44.33 C ATOM 512 O ASP A 36 5.532 -8.919 -23.285 1.00 44.12 O ATOM 513 CB ASP A 36 5.371 -9.286 -20.033 1.00 62.40 C ATOM 514 CG ASP A 36 4.041 -8.579 -20.281 1.00 0.45 C ATOM 515 OD1 ASP A 36 3.035 -9.276 -20.533 1.00 43.14 O ATOM 516 OD2 ASP A 36 3.972 -7.340 -20.075 1.00 70.35 O ATOM 0 H ASP A 36 7.357 -10.808 -19.944 1.00 34.22 H new ATOM 0 HA ASP A 36 4.973 -10.744 -21.548 1.00 3.33 H new ATOM 0 HB2 ASP A 36 5.280 -9.924 -19.154 1.00 62.40 H new ATOM 0 HB3 ASP A 36 6.137 -8.543 -19.810 1.00 62.40 H new ATOM 521 N LEU A 37 7.571 -8.944 -22.342 1.00 43.41 N ATOM 522 CA LEU A 37 8.248 -8.192 -23.395 1.00 44.13 C ATOM 523 C LEU A 37 8.512 -9.045 -24.648 1.00 40.44 C ATOM 524 O LEU A 37 9.049 -8.556 -25.629 1.00 22.12 O ATOM 525 CB LEU A 37 9.582 -7.652 -22.878 1.00 41.42 C ATOM 526 CG LEU A 37 9.517 -6.624 -21.738 1.00 23.42 C ATOM 527 CD1 LEU A 37 10.905 -6.428 -21.155 1.00 15.22 C ATOM 528 CD2 LEU A 37 8.970 -5.294 -22.220 1.00 72.24 C ATOM 0 H LEU A 37 8.186 -9.213 -21.574 1.00 43.41 H new ATOM 0 HA LEU A 37 7.585 -7.373 -23.675 1.00 44.13 H new ATOM 0 HB2 LEU A 37 10.183 -8.497 -22.540 1.00 41.42 H new ATOM 0 HB3 LEU A 37 10.112 -7.198 -23.715 1.00 41.42 H new ATOM 0 HG LEU A 37 8.842 -7.006 -20.972 1.00 23.42 H new ATOM 0 HD11 LEU A 37 10.860 -5.699 -20.346 1.00 15.22 H new ATOM 0 HD12 LEU A 37 11.274 -7.378 -20.768 1.00 15.22 H new ATOM 0 HD13 LEU A 37 11.578 -6.067 -21.932 1.00 15.22 H new ATOM 0 HD21 LEU A 37 8.938 -4.591 -21.388 1.00 72.24 H new ATOM 0 HD22 LEU A 37 9.615 -4.898 -23.005 1.00 72.24 H new ATOM 0 HD23 LEU A 37 7.964 -5.436 -22.614 1.00 72.24 H new ATOM 540 N GLY A 38 8.172 -10.334 -24.601 1.00 23.25 N ATOM 541 CA GLY A 38 8.385 -11.219 -25.744 1.00 15.12 C ATOM 542 C GLY A 38 9.787 -11.781 -25.849 1.00 64.50 C ATOM 543 O GLY A 38 10.231 -12.192 -26.925 1.00 20.22 O ATOM 0 H GLY A 38 7.751 -10.785 -23.789 1.00 23.25 H new ATOM 0 HA2 GLY A 38 7.679 -12.047 -25.683 1.00 15.12 H new ATOM 0 HA3 GLY A 38 8.157 -10.672 -26.659 1.00 15.12 H new ATOM 547 N GLY A 39 10.510 -11.810 -24.727 1.00 4.11 N ATOM 548 CA GLY A 39 11.874 -12.310 -24.723 1.00 24.51 C ATOM 549 C GLY A 39 11.966 -13.819 -24.914 1.00 11.04 C ATOM 550 O GLY A 39 11.014 -14.549 -24.661 1.00 10.23 O ATOM 0 H GLY A 39 10.171 -11.494 -23.818 1.00 4.11 H new ATOM 0 HA2 GLY A 39 12.436 -11.816 -25.515 1.00 24.51 H new ATOM 0 HA3 GLY A 39 12.349 -12.041 -23.780 1.00 24.51 H new ATOM 554 N SER A 40 13.133 -14.287 -25.338 1.00 23.03 N ATOM 555 CA SER A 40 13.347 -15.715 -25.603 1.00 33.32 C ATOM 556 C SER A 40 14.493 -16.281 -24.765 1.00 31.10 C ATOM 557 O SER A 40 15.263 -15.538 -24.168 1.00 63.44 O ATOM 558 CB SER A 40 13.683 -15.916 -27.080 1.00 51.22 C ATOM 559 OG SER A 40 12.709 -15.322 -27.914 1.00 4.43 O ATOM 0 H SER A 40 13.951 -13.702 -25.508 1.00 23.03 H new ATOM 0 HA SER A 40 12.429 -16.240 -25.338 1.00 33.32 H new ATOM 0 HB2 SER A 40 14.661 -15.484 -27.295 1.00 51.22 H new ATOM 0 HB3 SER A 40 13.750 -16.982 -27.298 1.00 51.22 H new ATOM 0 HG SER A 40 12.951 -15.465 -28.853 1.00 4.43 H new ATOM 565 N SER A 41 14.631 -17.609 -24.755 1.00 14.03 N ATOM 566 CA SER A 41 15.700 -18.276 -23.993 1.00 21.01 C ATOM 567 C SER A 41 17.097 -17.745 -24.337 1.00 1.13 C ATOM 568 O SER A 41 17.879 -17.416 -23.454 1.00 15.51 O ATOM 569 CB SER A 41 15.670 -19.788 -24.248 1.00 62.12 C ATOM 570 OG SER A 41 16.671 -20.456 -23.503 1.00 24.41 O ATOM 0 H SER A 41 14.019 -18.247 -25.264 1.00 14.03 H new ATOM 0 HA SER A 41 15.509 -18.060 -22.942 1.00 21.01 H new ATOM 0 HB2 SER A 41 14.690 -20.184 -23.981 1.00 62.12 H new ATOM 0 HB3 SER A 41 15.814 -19.982 -25.311 1.00 62.12 H new ATOM 0 HG SER A 41 16.627 -21.418 -23.685 1.00 24.41 H new ATOM 576 N ALA A 42 17.396 -17.619 -25.624 1.00 44.45 N ATOM 577 CA ALA A 42 18.698 -17.118 -26.057 1.00 44.10 C ATOM 578 C ALA A 42 18.927 -15.680 -25.561 1.00 34.51 C ATOM 579 O ALA A 42 20.016 -15.334 -25.140 1.00 22.43 O ATOM 580 CB ALA A 42 18.785 -17.148 -27.593 1.00 64.40 C ATOM 0 H ALA A 42 16.759 -17.855 -26.385 1.00 44.45 H new ATOM 0 HA ALA A 42 19.468 -17.761 -25.631 1.00 44.10 H new ATOM 0 HB1 ALA A 42 19.758 -16.773 -27.910 1.00 64.40 H new ATOM 0 HB2 ALA A 42 18.659 -18.172 -27.945 1.00 64.40 H new ATOM 0 HB3 ALA A 42 18.000 -16.520 -28.014 1.00 64.40 H new ATOM 586 N LEU A 43 17.872 -14.874 -25.608 1.00 11.31 N ATOM 587 CA LEU A 43 17.930 -13.480 -25.182 1.00 62.30 C ATOM 588 C LEU A 43 18.155 -13.430 -23.663 1.00 65.31 C ATOM 589 O LEU A 43 18.935 -12.627 -23.184 1.00 71.41 O ATOM 590 CB LEU A 43 16.625 -12.741 -25.563 1.00 40.32 C ATOM 591 CG LEU A 43 16.521 -12.159 -26.982 1.00 41.23 C ATOM 592 CD1 LEU A 43 16.605 -13.221 -28.111 1.00 55.14 C ATOM 593 CD2 LEU A 43 15.189 -11.394 -27.081 1.00 42.42 C ATOM 0 H LEU A 43 16.954 -15.168 -25.942 1.00 11.31 H new ATOM 0 HA LEU A 43 18.756 -12.980 -25.687 1.00 62.30 H new ATOM 0 HB2 LEU A 43 15.795 -13.433 -25.423 1.00 40.32 H new ATOM 0 HB3 LEU A 43 16.483 -11.925 -24.855 1.00 40.32 H new ATOM 0 HG LEU A 43 17.380 -11.505 -27.134 1.00 41.23 H new ATOM 0 HD11 LEU A 43 16.524 -12.729 -29.080 1.00 55.14 H new ATOM 0 HD12 LEU A 43 17.559 -13.744 -28.048 1.00 55.14 H new ATOM 0 HD13 LEU A 43 15.791 -13.937 -27.998 1.00 55.14 H new ATOM 0 HD21 LEU A 43 15.087 -10.969 -28.079 1.00 42.42 H new ATOM 0 HD22 LEU A 43 14.362 -12.078 -26.892 1.00 42.42 H new ATOM 0 HD23 LEU A 43 15.174 -10.593 -26.342 1.00 42.42 H new ATOM 605 N ALA A 44 17.504 -14.319 -22.923 1.00 22.43 N ATOM 606 CA ALA A 44 17.680 -14.405 -21.476 1.00 55.55 C ATOM 607 C ALA A 44 19.101 -14.828 -21.079 1.00 75.31 C ATOM 608 O ALA A 44 19.630 -14.352 -20.097 1.00 74.44 O ATOM 609 CB ALA A 44 16.634 -15.373 -20.877 1.00 61.22 C ATOM 0 H ALA A 44 16.844 -14.997 -23.304 1.00 22.43 H new ATOM 0 HA ALA A 44 17.527 -13.406 -21.067 1.00 55.55 H new ATOM 0 HB1 ALA A 44 16.770 -15.433 -19.797 1.00 61.22 H new ATOM 0 HB2 ALA A 44 15.631 -15.006 -21.096 1.00 61.22 H new ATOM 0 HB3 ALA A 44 16.762 -16.363 -21.315 1.00 61.22 H new ATOM 615 N MET A 45 19.731 -15.697 -21.853 1.00 5.43 N ATOM 616 CA MET A 45 21.131 -16.065 -21.584 1.00 45.01 C ATOM 617 C MET A 45 22.072 -14.900 -21.921 1.00 11.00 C ATOM 618 O MET A 45 23.069 -14.680 -21.232 1.00 73.24 O ATOM 619 CB MET A 45 21.533 -17.318 -22.362 1.00 4.42 C ATOM 620 CG MET A 45 20.833 -18.569 -21.870 1.00 42.22 C ATOM 621 SD MET A 45 21.461 -20.031 -22.687 1.00 31.04 S ATOM 622 CE MET A 45 20.237 -21.270 -22.197 1.00 33.11 C ATOM 0 H MET A 45 19.313 -16.159 -22.661 1.00 5.43 H new ATOM 0 HA MET A 45 21.218 -16.286 -20.520 1.00 45.01 H new ATOM 0 HB2 MET A 45 21.305 -17.172 -23.418 1.00 4.42 H new ATOM 0 HB3 MET A 45 22.611 -17.457 -22.284 1.00 4.42 H new ATOM 0 HG2 MET A 45 20.970 -18.665 -20.793 1.00 42.22 H new ATOM 0 HG3 MET A 45 19.761 -18.482 -22.049 1.00 42.22 H new ATOM 0 HE1 MET A 45 20.500 -22.234 -22.634 1.00 33.11 H new ATOM 0 HE2 MET A 45 20.221 -21.356 -21.111 1.00 33.11 H new ATOM 0 HE3 MET A 45 19.251 -20.968 -22.551 1.00 33.11 H new ATOM 632 N ARG A 46 21.721 -14.110 -22.925 1.00 40.13 N ATOM 633 CA ARG A 46 22.509 -12.914 -23.247 1.00 51.15 C ATOM 634 C ARG A 46 22.360 -11.908 -22.118 1.00 54.45 C ATOM 635 O ARG A 46 23.304 -11.205 -21.778 1.00 12.10 O ATOM 636 CB ARG A 46 22.045 -12.254 -24.551 1.00 12.44 C ATOM 637 CG ARG A 46 22.425 -12.979 -25.818 1.00 13.32 C ATOM 638 CD ARG A 46 23.926 -12.858 -26.126 1.00 73.54 C ATOM 639 NE ARG A 46 24.229 -13.412 -27.455 1.00 23.22 N ATOM 640 CZ ARG A 46 25.442 -13.478 -27.998 1.00 34.21 C ATOM 641 NH1 ARG A 46 26.507 -13.060 -27.371 1.00 73.20 N ATOM 642 NH2 ARG A 46 25.587 -13.983 -29.197 1.00 74.41 N ATOM 0 H ARG A 46 20.911 -14.265 -23.526 1.00 40.13 H new ATOM 0 HA ARG A 46 23.547 -13.222 -23.371 1.00 51.15 H new ATOM 0 HB2 ARG A 46 20.960 -12.155 -24.521 1.00 12.44 H new ATOM 0 HB3 ARG A 46 22.456 -11.245 -24.593 1.00 12.44 H new ATOM 0 HG2 ARG A 46 22.158 -14.032 -25.727 1.00 13.32 H new ATOM 0 HG3 ARG A 46 21.851 -12.576 -26.652 1.00 13.32 H new ATOM 0 HD2 ARG A 46 24.228 -11.811 -26.085 1.00 73.54 H new ATOM 0 HD3 ARG A 46 24.502 -13.386 -25.366 1.00 73.54 H new ATOM 0 HE ARG A 46 23.448 -13.774 -28.003 1.00 23.22 H new ATOM 0 HH11 ARG A 46 26.425 -12.667 -26.433 1.00 73.20 H new ATOM 0 HH12 ARG A 46 27.421 -13.126 -27.818 1.00 73.20 H new ATOM 0 HH21 ARG A 46 24.773 -14.323 -29.709 1.00 74.41 H new ATOM 0 HH22 ARG A 46 26.514 -14.037 -29.619 1.00 74.41 H new ATOM 656 N LEU A 47 21.174 -11.873 -21.528 1.00 11.44 N ATOM 657 CA LEU A 47 20.897 -10.975 -20.409 1.00 42.35 C ATOM 658 C LEU A 47 21.852 -11.284 -19.261 1.00 63.41 C ATOM 659 O LEU A 47 22.413 -10.372 -18.669 1.00 72.22 O ATOM 660 CB LEU A 47 19.444 -11.102 -19.949 1.00 44.12 C ATOM 661 CG LEU A 47 19.054 -10.168 -18.804 1.00 64.23 C ATOM 662 CD1 LEU A 47 19.045 -8.708 -19.217 1.00 65.14 C ATOM 663 CD2 LEU A 47 17.673 -10.597 -18.283 1.00 61.22 C ATOM 0 H LEU A 47 20.384 -12.456 -21.804 1.00 11.44 H new ATOM 0 HA LEU A 47 21.050 -9.947 -20.738 1.00 42.35 H new ATOM 0 HB2 LEU A 47 18.790 -10.907 -20.798 1.00 44.12 H new ATOM 0 HB3 LEU A 47 19.264 -12.131 -19.638 1.00 44.12 H new ATOM 0 HG LEU A 47 19.803 -10.251 -18.017 1.00 64.23 H new ATOM 0 HD11 LEU A 47 18.761 -8.091 -18.365 1.00 65.14 H new ATOM 0 HD12 LEU A 47 20.039 -8.420 -19.558 1.00 65.14 H new ATOM 0 HD13 LEU A 47 18.328 -8.563 -20.025 1.00 65.14 H new ATOM 0 HD21 LEU A 47 17.374 -9.943 -17.464 1.00 61.22 H new ATOM 0 HD22 LEU A 47 16.942 -10.527 -19.089 1.00 61.22 H new ATOM 0 HD23 LEU A 47 17.722 -11.626 -17.926 1.00 61.22 H new ATOM 675 N ILE A 48 22.082 -12.560 -18.980 1.00 31.51 N ATOM 676 CA ILE A 48 22.937 -12.942 -17.854 1.00 63.21 C ATOM 677 C ILE A 48 24.347 -12.424 -18.105 1.00 32.11 C ATOM 678 O ILE A 48 24.969 -11.847 -17.232 1.00 63.14 O ATOM 679 CB ILE A 48 23.008 -14.488 -17.627 1.00 63.33 C ATOM 680 CG1 ILE A 48 21.593 -15.069 -17.438 1.00 40.21 C ATOM 681 CG2 ILE A 48 23.908 -14.801 -16.407 1.00 73.43 C ATOM 682 CD1 ILE A 48 21.557 -16.579 -17.263 1.00 14.42 C ATOM 0 H ILE A 48 21.695 -13.343 -19.507 1.00 31.51 H new ATOM 0 HA ILE A 48 22.497 -12.502 -16.959 1.00 63.21 H new ATOM 0 HB ILE A 48 23.447 -14.958 -18.507 1.00 63.33 H new ATOM 0 HG12 ILE A 48 21.134 -14.603 -16.566 1.00 40.21 H new ATOM 0 HG13 ILE A 48 20.984 -14.800 -18.301 1.00 40.21 H new ATOM 0 HG21 ILE A 48 23.953 -15.879 -16.255 1.00 73.43 H new ATOM 0 HG22 ILE A 48 24.912 -14.418 -16.588 1.00 73.43 H new ATOM 0 HG23 ILE A 48 23.494 -14.326 -15.518 1.00 73.43 H new ATOM 0 HD11 ILE A 48 20.525 -16.906 -17.136 1.00 14.42 H new ATOM 0 HD12 ILE A 48 21.984 -17.058 -18.144 1.00 14.42 H new ATOM 0 HD13 ILE A 48 22.137 -16.857 -16.383 1.00 14.42 H new ATOM 694 N ALA A 49 24.839 -12.597 -19.319 1.00 1.04 N ATOM 695 CA ALA A 49 26.187 -12.128 -19.653 1.00 74.13 C ATOM 696 C ALA A 49 26.329 -10.609 -19.503 1.00 1.01 C ATOM 697 O ALA A 49 27.318 -10.139 -18.957 1.00 52.24 O ATOM 698 CB ALA A 49 26.548 -12.580 -21.072 1.00 65.43 C ATOM 0 H ALA A 49 24.340 -13.051 -20.085 1.00 1.04 H new ATOM 0 HA ALA A 49 26.886 -12.572 -18.944 1.00 74.13 H new ATOM 0 HB1 ALA A 49 27.550 -12.231 -21.321 1.00 65.43 H new ATOM 0 HB2 ALA A 49 26.518 -13.668 -21.126 1.00 65.43 H new ATOM 0 HB3 ALA A 49 25.832 -12.162 -21.780 1.00 65.43 H new ATOM 704 N ARG A 50 25.333 -9.860 -19.972 1.00 41.55 N ATOM 705 CA ARG A 50 25.366 -8.395 -19.867 1.00 12.42 C ATOM 706 C ARG A 50 25.291 -7.975 -18.415 1.00 24.14 C ATOM 707 O ARG A 50 25.998 -7.086 -17.999 1.00 40.44 O ATOM 708 CB ARG A 50 24.206 -7.762 -20.645 1.00 73.13 C ATOM 709 CG ARG A 50 24.309 -7.879 -22.161 1.00 71.33 C ATOM 710 CD ARG A 50 25.401 -6.965 -22.741 1.00 52.54 C ATOM 711 NE ARG A 50 25.120 -5.526 -22.522 1.00 34.42 N ATOM 712 CZ ARG A 50 25.925 -4.660 -21.913 1.00 14.22 C ATOM 713 NH1 ARG A 50 27.108 -4.995 -21.447 1.00 12.32 N ATOM 714 NH2 ARG A 50 25.537 -3.426 -21.762 1.00 20.44 N ATOM 0 H ARG A 50 24.499 -10.234 -20.425 1.00 41.55 H new ATOM 0 HA ARG A 50 26.305 -8.047 -20.298 1.00 12.42 H new ATOM 0 HB2 ARG A 50 23.275 -8.227 -20.322 1.00 73.13 H new ATOM 0 HB3 ARG A 50 24.144 -6.706 -20.380 1.00 73.13 H new ATOM 0 HG2 ARG A 50 24.523 -8.913 -22.430 1.00 71.33 H new ATOM 0 HG3 ARG A 50 23.349 -7.625 -22.609 1.00 71.33 H new ATOM 0 HD2 ARG A 50 26.359 -7.217 -22.286 1.00 52.54 H new ATOM 0 HD3 ARG A 50 25.496 -7.154 -23.810 1.00 52.54 H new ATOM 0 HE ARG A 50 24.230 -5.168 -22.869 1.00 34.42 H new ATOM 0 HH11 ARG A 50 27.442 -5.954 -21.546 1.00 12.32 H new ATOM 0 HH12 ARG A 50 27.691 -4.296 -20.987 1.00 12.32 H new ATOM 0 HH21 ARG A 50 24.624 -3.132 -22.109 1.00 20.44 H new ATOM 0 HH22 ARG A 50 26.146 -2.753 -21.296 1.00 20.44 H new ATOM 728 N ILE A 51 24.451 -8.619 -17.637 1.00 55.03 N ATOM 729 CA ILE A 51 24.370 -8.318 -16.200 1.00 42.12 C ATOM 730 C ILE A 51 25.699 -8.621 -15.522 1.00 54.31 C ATOM 731 O ILE A 51 26.152 -7.829 -14.691 1.00 63.03 O ATOM 732 CB ILE A 51 23.213 -9.124 -15.513 1.00 5.22 C ATOM 733 CG1 ILE A 51 21.863 -8.479 -15.905 1.00 65.34 C ATOM 734 CG2 ILE A 51 23.364 -9.126 -13.961 1.00 44.03 C ATOM 735 CD1 ILE A 51 20.614 -9.262 -15.444 1.00 25.40 C ATOM 0 H ILE A 51 23.815 -9.349 -17.957 1.00 55.03 H new ATOM 0 HA ILE A 51 24.150 -7.256 -16.091 1.00 42.12 H new ATOM 0 HB ILE A 51 23.256 -10.159 -15.851 1.00 5.22 H new ATOM 0 HG12 ILE A 51 21.821 -7.474 -15.484 1.00 65.34 H new ATOM 0 HG13 ILE A 51 21.828 -8.373 -16.989 1.00 65.34 H new ATOM 0 HG21 ILE A 51 22.546 -9.693 -13.517 1.00 44.03 H new ATOM 0 HG22 ILE A 51 24.314 -9.585 -13.688 1.00 44.03 H new ATOM 0 HG23 ILE A 51 23.337 -8.101 -13.592 1.00 44.03 H new ATOM 0 HD11 ILE A 51 19.715 -8.734 -15.764 1.00 25.40 H new ATOM 0 HD12 ILE A 51 20.626 -10.259 -15.885 1.00 25.40 H new ATOM 0 HD13 ILE A 51 20.618 -9.346 -14.357 1.00 25.40 H new ATOM 747 N ARG A 52 26.355 -9.715 -15.878 1.00 23.31 N ATOM 748 CA ARG A 52 27.639 -10.028 -15.269 1.00 35.32 C ATOM 749 C ARG A 52 28.636 -8.947 -15.644 1.00 10.51 C ATOM 750 O ARG A 52 29.464 -8.581 -14.838 1.00 64.42 O ATOM 751 CB ARG A 52 28.125 -11.414 -15.680 1.00 1.21 C ATOM 752 CG ARG A 52 29.061 -12.085 -14.653 1.00 31.21 C ATOM 753 CD ARG A 52 30.533 -11.649 -14.734 1.00 1.13 C ATOM 754 NE ARG A 52 31.108 -11.905 -16.068 1.00 64.54 N ATOM 755 CZ ARG A 52 31.610 -10.978 -16.879 1.00 2.52 C ATOM 756 NH1 ARG A 52 31.656 -9.717 -16.553 1.00 32.31 N ATOM 757 NH2 ARG A 52 32.071 -11.316 -18.046 1.00 3.12 N ATOM 0 H ARG A 52 26.029 -10.389 -16.571 1.00 23.31 H new ATOM 0 HA ARG A 52 27.531 -10.050 -14.185 1.00 35.32 H new ATOM 0 HB2 ARG A 52 27.260 -12.057 -15.841 1.00 1.21 H new ATOM 0 HB3 ARG A 52 28.647 -11.336 -16.634 1.00 1.21 H new ATOM 0 HG2 ARG A 52 28.689 -11.871 -13.651 1.00 31.21 H new ATOM 0 HG3 ARG A 52 29.010 -13.165 -14.789 1.00 31.21 H new ATOM 0 HD2 ARG A 52 30.611 -10.587 -14.503 1.00 1.13 H new ATOM 0 HD3 ARG A 52 31.112 -12.183 -13.980 1.00 1.13 H new ATOM 0 HE ARG A 52 31.122 -12.871 -16.395 1.00 64.54 H new ATOM 0 HH11 ARG A 52 31.299 -9.411 -15.648 1.00 32.31 H new ATOM 0 HH12 ARG A 52 32.049 -9.036 -17.203 1.00 32.31 H new ATOM 0 HH21 ARG A 52 32.048 -12.292 -18.340 1.00 3.12 H new ATOM 0 HH22 ARG A 52 32.456 -10.605 -18.668 1.00 3.12 H new ATOM 771 N GLU A 53 28.538 -8.404 -16.849 1.00 14.21 N ATOM 772 CA GLU A 53 29.451 -7.355 -17.275 1.00 0.42 C ATOM 773 C GLU A 53 29.251 -5.998 -16.600 1.00 13.11 C ATOM 774 O GLU A 53 30.212 -5.360 -16.163 1.00 31.03 O ATOM 775 CB GLU A 53 29.339 -7.198 -18.787 1.00 33.23 C ATOM 776 CG GLU A 53 30.601 -6.730 -19.444 1.00 64.24 C ATOM 777 CD GLU A 53 31.748 -7.694 -19.197 1.00 50.33 C ATOM 778 OE1 GLU A 53 31.585 -8.913 -19.468 1.00 11.05 O ATOM 779 OE2 GLU A 53 32.793 -7.274 -18.678 1.00 33.04 O ATOM 0 H GLU A 53 27.841 -8.670 -17.544 1.00 14.21 H new ATOM 0 HA GLU A 53 30.446 -7.677 -16.967 1.00 0.42 H new ATOM 0 HB2 GLU A 53 29.048 -8.155 -19.221 1.00 33.23 H new ATOM 0 HB3 GLU A 53 28.541 -6.491 -19.011 1.00 33.23 H new ATOM 0 HG2 GLU A 53 30.437 -6.625 -20.516 1.00 64.24 H new ATOM 0 HG3 GLU A 53 30.866 -5.743 -19.064 1.00 64.24 H new ATOM 786 N GLU A 54 28.008 -5.543 -16.557 1.00 23.54 N ATOM 787 CA GLU A 54 27.719 -4.211 -16.060 1.00 75.53 C ATOM 788 C GLU A 54 27.617 -4.151 -14.530 1.00 43.41 C ATOM 789 O GLU A 54 28.099 -3.209 -13.884 1.00 51.52 O ATOM 790 CB GLU A 54 26.383 -3.728 -16.683 1.00 11.34 C ATOM 791 CG GLU A 54 26.384 -3.631 -18.218 1.00 21.22 C ATOM 792 CD GLU A 54 27.323 -2.571 -18.777 1.00 22.05 C ATOM 793 OE1 GLU A 54 27.563 -1.562 -18.097 1.00 62.43 O ATOM 794 OE2 GLU A 54 27.771 -2.734 -19.947 1.00 0.35 O ATOM 0 H GLU A 54 27.190 -6.073 -16.858 1.00 23.54 H new ATOM 0 HA GLU A 54 28.548 -3.565 -16.348 1.00 75.53 H new ATOM 0 HB2 GLU A 54 25.589 -4.409 -16.377 1.00 11.34 H new ATOM 0 HB3 GLU A 54 26.140 -2.748 -16.271 1.00 11.34 H new ATOM 0 HG2 GLU A 54 26.662 -4.600 -18.632 1.00 21.22 H new ATOM 0 HG3 GLU A 54 25.370 -3.418 -18.558 1.00 21.22 H new ATOM 801 N LEU A 55 26.985 -5.156 -13.947 1.00 32.34 N ATOM 802 CA LEU A 55 26.738 -5.182 -12.497 1.00 42.33 C ATOM 803 C LEU A 55 27.805 -6.011 -11.769 1.00 63.22 C ATOM 804 O LEU A 55 28.040 -5.812 -10.580 1.00 24.12 O ATOM 805 CB LEU A 55 25.350 -5.752 -12.160 1.00 21.15 C ATOM 806 CG LEU A 55 24.095 -4.936 -12.520 1.00 44.12 C ATOM 807 CD1 LEU A 55 23.806 -4.901 -14.017 1.00 11.52 C ATOM 808 CD2 LEU A 55 22.884 -5.554 -11.785 1.00 24.20 C ATOM 0 H LEU A 55 26.629 -5.970 -14.448 1.00 32.34 H new ATOM 0 HA LEU A 55 26.784 -4.147 -12.158 1.00 42.33 H new ATOM 0 HB2 LEU A 55 25.264 -6.720 -12.653 1.00 21.15 H new ATOM 0 HB3 LEU A 55 25.324 -5.938 -11.086 1.00 21.15 H new ATOM 0 HG LEU A 55 24.274 -3.906 -12.211 1.00 44.12 H new ATOM 0 HD11 LEU A 55 22.909 -4.310 -14.201 1.00 11.52 H new ATOM 0 HD12 LEU A 55 24.650 -4.452 -14.540 1.00 11.52 H new ATOM 0 HD13 LEU A 55 23.652 -5.917 -14.382 1.00 11.52 H new ATOM 0 HD21 LEU A 55 21.984 -4.989 -12.028 1.00 24.20 H new ATOM 0 HD22 LEU A 55 22.758 -6.590 -12.099 1.00 24.20 H new ATOM 0 HD23 LEU A 55 23.055 -5.519 -10.709 1.00 24.20 H new ATOM 820 N GLY A 56 28.447 -6.928 -12.468 1.00 73.25 N ATOM 821 CA GLY A 56 29.493 -7.744 -11.848 1.00 51.43 C ATOM 822 C GLY A 56 28.964 -8.899 -11.023 1.00 4.52 C ATOM 823 O GLY A 56 29.631 -9.323 -10.082 1.00 63.15 O ATOM 0 H GLY A 56 28.272 -7.131 -13.452 1.00 73.25 H new ATOM 0 HA2 GLY A 56 30.144 -8.137 -12.629 1.00 51.43 H new ATOM 0 HA3 GLY A 56 30.107 -7.107 -11.211 1.00 51.43 H new ATOM 827 N VAL A 57 27.777 -9.413 -11.334 1.00 15.54 N ATOM 828 CA VAL A 57 27.190 -10.498 -10.545 1.00 12.04 C ATOM 829 C VAL A 57 26.707 -11.630 -11.464 1.00 71.03 C ATOM 830 O VAL A 57 26.050 -11.400 -12.504 1.00 43.01 O ATOM 831 CB VAL A 57 26.048 -9.967 -9.616 1.00 22.03 C ATOM 832 CG1 VAL A 57 24.911 -9.340 -10.429 1.00 65.03 C ATOM 833 CG2 VAL A 57 25.514 -11.085 -8.710 1.00 14.41 C ATOM 0 H VAL A 57 27.205 -9.101 -12.119 1.00 15.54 H new ATOM 0 HA VAL A 57 27.961 -10.909 -9.894 1.00 12.04 H new ATOM 0 HB VAL A 57 26.474 -9.188 -8.984 1.00 22.03 H new ATOM 0 HG11 VAL A 57 24.135 -8.982 -9.753 1.00 65.03 H new ATOM 0 HG12 VAL A 57 25.298 -8.504 -11.012 1.00 65.03 H new ATOM 0 HG13 VAL A 57 24.490 -10.087 -11.102 1.00 65.03 H new ATOM 0 HG21 VAL A 57 24.721 -10.691 -8.074 1.00 14.41 H new ATOM 0 HG22 VAL A 57 25.118 -11.893 -9.325 1.00 14.41 H new ATOM 0 HG23 VAL A 57 26.323 -11.466 -8.087 1.00 14.41 H new ATOM 843 N ASP A 58 27.029 -12.847 -11.086 1.00 34.24 N ATOM 844 CA ASP A 58 26.597 -14.052 -11.836 1.00 71.34 C ATOM 845 C ASP A 58 25.196 -14.455 -11.379 1.00 34.32 C ATOM 846 O ASP A 58 25.003 -15.302 -10.510 1.00 11.13 O ATOM 847 CB ASP A 58 27.575 -15.208 -11.581 1.00 53.22 C ATOM 848 CG ASP A 58 28.936 -14.978 -12.215 1.00 3.00 C ATOM 849 OD1 ASP A 58 29.781 -14.334 -11.560 1.00 32.02 O ATOM 850 OD2 ASP A 58 29.157 -15.422 -13.361 1.00 60.44 O ATOM 0 H ASP A 58 27.592 -13.051 -10.260 1.00 34.24 H new ATOM 0 HA ASP A 58 26.585 -13.827 -12.903 1.00 71.34 H new ATOM 0 HB2 ASP A 58 27.698 -15.344 -10.506 1.00 53.22 H new ATOM 0 HB3 ASP A 58 27.148 -16.132 -11.972 1.00 53.22 H new ATOM 855 N LEU A 59 24.200 -13.823 -11.972 1.00 13.11 N ATOM 856 CA LEU A 59 22.806 -14.127 -11.648 1.00 12.30 C ATOM 857 C LEU A 59 22.382 -15.464 -12.293 1.00 23.42 C ATOM 858 O LEU A 59 22.393 -15.605 -13.520 1.00 23.42 O ATOM 859 CB LEU A 59 21.902 -12.987 -12.160 1.00 14.22 C ATOM 860 CG LEU A 59 20.402 -13.132 -11.816 1.00 25.53 C ATOM 861 CD1 LEU A 59 20.112 -12.854 -10.352 1.00 32.02 C ATOM 862 CD2 LEU A 59 19.599 -12.158 -12.696 1.00 44.23 C ATOM 0 H LEU A 59 24.323 -13.098 -12.679 1.00 13.11 H new ATOM 0 HA LEU A 59 22.704 -14.217 -10.567 1.00 12.30 H new ATOM 0 HB2 LEU A 59 22.264 -12.045 -11.748 1.00 14.22 H new ATOM 0 HB3 LEU A 59 22.005 -12.921 -13.243 1.00 14.22 H new ATOM 0 HG LEU A 59 20.110 -14.164 -12.009 1.00 25.53 H new ATOM 0 HD11 LEU A 59 19.045 -12.970 -10.164 1.00 32.02 H new ATOM 0 HD12 LEU A 59 20.668 -13.557 -9.731 1.00 32.02 H new ATOM 0 HD13 LEU A 59 20.415 -11.836 -10.108 1.00 32.02 H new ATOM 0 HD21 LEU A 59 18.538 -12.249 -12.464 1.00 44.23 H new ATOM 0 HD22 LEU A 59 19.927 -11.137 -12.501 1.00 44.23 H new ATOM 0 HD23 LEU A 59 19.763 -12.397 -13.747 1.00 44.23 H new ATOM 874 N PRO A 60 21.959 -16.454 -11.481 1.00 35.45 N ATOM 875 CA PRO A 60 21.592 -17.694 -12.181 1.00 52.22 C ATOM 876 C PRO A 60 20.233 -17.600 -12.886 1.00 41.44 C ATOM 877 O PRO A 60 19.311 -16.917 -12.419 1.00 24.14 O ATOM 878 CB PRO A 60 21.544 -18.724 -11.047 1.00 34.21 C ATOM 879 CG PRO A 60 21.106 -17.930 -9.862 1.00 21.45 C ATOM 880 CD PRO A 60 21.815 -16.595 -10.016 1.00 1.32 C ATOM 0 HA PRO A 60 22.295 -17.939 -12.977 1.00 52.22 H new ATOM 0 HB2 PRO A 60 20.845 -19.530 -11.269 1.00 34.21 H new ATOM 0 HB3 PRO A 60 22.519 -19.183 -10.882 1.00 34.21 H new ATOM 0 HG2 PRO A 60 20.023 -17.805 -9.846 1.00 21.45 H new ATOM 0 HG3 PRO A 60 21.384 -18.422 -8.930 1.00 21.45 H new ATOM 0 HD2 PRO A 60 21.233 -15.779 -9.588 1.00 1.32 H new ATOM 0 HD3 PRO A 60 22.783 -16.593 -9.515 1.00 1.32 H new ATOM 888 N ILE A 61 20.099 -18.341 -13.978 1.00 52.45 N ATOM 889 CA ILE A 61 18.858 -18.415 -14.757 1.00 72.14 C ATOM 890 C ILE A 61 17.681 -18.917 -13.909 1.00 72.50 C ATOM 891 O ILE A 61 16.529 -18.618 -14.180 1.00 30.10 O ATOM 892 CB ILE A 61 19.097 -19.336 -16.013 1.00 72.32 C ATOM 893 CG1 ILE A 61 17.937 -19.236 -17.024 1.00 63.34 C ATOM 894 CG2 ILE A 61 19.285 -20.848 -15.606 1.00 72.41 C ATOM 895 CD1 ILE A 61 17.768 -17.862 -17.691 1.00 65.51 C ATOM 0 H ILE A 61 20.853 -18.915 -14.356 1.00 52.45 H new ATOM 0 HA ILE A 61 18.589 -17.413 -15.090 1.00 72.14 H new ATOM 0 HB ILE A 61 20.013 -18.975 -16.480 1.00 72.32 H new ATOM 0 HG12 ILE A 61 18.089 -19.984 -17.802 1.00 63.34 H new ATOM 0 HG13 ILE A 61 17.008 -19.491 -16.514 1.00 63.34 H new ATOM 0 HG21 ILE A 61 19.447 -21.448 -16.501 1.00 72.41 H new ATOM 0 HG22 ILE A 61 20.146 -20.942 -14.945 1.00 72.41 H new ATOM 0 HG23 ILE A 61 18.392 -21.200 -15.090 1.00 72.41 H new ATOM 0 HD11 ILE A 61 16.927 -17.895 -18.384 1.00 65.51 H new ATOM 0 HD12 ILE A 61 17.580 -17.107 -16.927 1.00 65.51 H new ATOM 0 HD13 ILE A 61 18.677 -17.608 -18.236 1.00 65.51 H new ATOM 907 N ARG A 62 17.997 -19.629 -12.828 1.00 14.41 N ATOM 908 CA ARG A 62 16.963 -20.120 -11.922 1.00 53.14 C ATOM 909 C ARG A 62 16.246 -18.959 -11.238 1.00 21.54 C ATOM 910 O ARG A 62 15.036 -18.971 -11.084 1.00 1.05 O ATOM 911 CB ARG A 62 17.555 -21.036 -10.821 1.00 10.03 C ATOM 912 CG ARG A 62 17.479 -22.534 -11.131 1.00 43.24 C ATOM 913 CD ARG A 62 18.590 -23.011 -12.068 1.00 21.24 C ATOM 914 NE ARG A 62 18.551 -24.487 -12.216 1.00 53.25 N ATOM 915 CZ ARG A 62 19.441 -25.215 -12.901 1.00 12.22 C ATOM 916 NH1 ARG A 62 20.460 -24.671 -13.528 1.00 74.13 N ATOM 917 NH2 ARG A 62 19.293 -26.518 -12.959 1.00 22.23 N ATOM 0 H ARG A 62 18.950 -19.876 -12.561 1.00 14.41 H new ATOM 0 HA ARG A 62 16.262 -20.692 -12.530 1.00 53.14 H new ATOM 0 HB2 ARG A 62 18.598 -20.763 -10.662 1.00 10.03 H new ATOM 0 HB3 ARG A 62 17.029 -20.844 -9.886 1.00 10.03 H new ATOM 0 HG2 ARG A 62 17.533 -23.095 -10.198 1.00 43.24 H new ATOM 0 HG3 ARG A 62 16.512 -22.757 -11.581 1.00 43.24 H new ATOM 0 HD2 ARG A 62 18.477 -22.539 -13.044 1.00 21.24 H new ATOM 0 HD3 ARG A 62 19.560 -22.705 -11.676 1.00 21.24 H new ATOM 0 HE ARG A 62 17.787 -24.985 -11.760 1.00 53.25 H new ATOM 0 HH11 ARG A 62 20.594 -23.660 -13.503 1.00 74.13 H new ATOM 0 HH12 ARG A 62 21.117 -25.260 -14.040 1.00 74.13 H new ATOM 0 HH21 ARG A 62 18.507 -26.964 -12.486 1.00 22.23 H new ATOM 0 HH22 ARG A 62 19.964 -27.085 -13.478 1.00 22.23 H new ATOM 931 N GLN A 63 17.004 -17.965 -10.808 1.00 72.11 N ATOM 932 CA GLN A 63 16.415 -16.827 -10.128 1.00 23.31 C ATOM 933 C GLN A 63 15.651 -15.964 -11.121 1.00 12.32 C ATOM 934 O GLN A 63 14.583 -15.453 -10.817 1.00 34.30 O ATOM 935 CB GLN A 63 17.462 -15.969 -9.421 1.00 11.35 C ATOM 936 CG GLN A 63 17.344 -15.997 -7.900 1.00 52.32 C ATOM 937 CD GLN A 63 16.092 -15.318 -7.402 1.00 0.15 C ATOM 938 OE1 GLN A 63 15.918 -14.115 -7.552 1.00 14.11 O ATOM 939 NE2 GLN A 63 15.215 -16.091 -6.809 1.00 3.41 N ATOM 0 H GLN A 63 18.017 -17.923 -10.916 1.00 72.11 H new ATOM 0 HA GLN A 63 15.738 -17.223 -9.371 1.00 23.31 H new ATOM 0 HB2 GLN A 63 18.456 -16.313 -9.707 1.00 11.35 H new ATOM 0 HB3 GLN A 63 17.370 -14.939 -9.766 1.00 11.35 H new ATOM 0 HG2 GLN A 63 17.352 -17.032 -7.558 1.00 52.32 H new ATOM 0 HG3 GLN A 63 18.215 -15.510 -7.463 1.00 52.32 H new ATOM 0 HE21 GLN A 63 15.402 -17.088 -6.706 1.00 3.41 H new ATOM 0 HE22 GLN A 63 14.346 -15.695 -6.451 1.00 3.41 H new ATOM 948 N LEU A 64 16.156 -15.884 -12.336 1.00 22.51 N ATOM 949 CA LEU A 64 15.491 -15.136 -13.390 1.00 4.43 C ATOM 950 C LEU A 64 14.127 -15.735 -13.704 1.00 1.04 C ATOM 951 O LEU A 64 13.171 -15.007 -13.950 1.00 22.34 O ATOM 952 CB LEU A 64 16.369 -15.113 -14.642 1.00 61.44 C ATOM 953 CG LEU A 64 16.842 -13.724 -15.091 1.00 41.54 C ATOM 954 CD1 LEU A 64 17.941 -13.898 -16.131 1.00 74.21 C ATOM 955 CD2 LEU A 64 15.703 -12.875 -15.638 1.00 32.20 C ATOM 0 H LEU A 64 17.028 -16.329 -12.621 1.00 22.51 H new ATOM 0 HA LEU A 64 15.336 -14.113 -13.047 1.00 4.43 H new ATOM 0 HB2 LEU A 64 17.245 -15.735 -14.462 1.00 61.44 H new ATOM 0 HB3 LEU A 64 15.815 -15.572 -15.461 1.00 61.44 H new ATOM 0 HG LEU A 64 17.230 -13.190 -14.224 1.00 41.54 H new ATOM 0 HD11 LEU A 64 18.288 -12.919 -16.461 1.00 74.21 H new ATOM 0 HD12 LEU A 64 18.773 -14.449 -15.693 1.00 74.21 H new ATOM 0 HD13 LEU A 64 17.549 -14.451 -16.985 1.00 74.21 H new ATOM 0 HD21 LEU A 64 16.088 -11.902 -15.942 1.00 32.20 H new ATOM 0 HD22 LEU A 64 15.258 -13.374 -16.499 1.00 32.20 H new ATOM 0 HD23 LEU A 64 14.946 -12.740 -14.865 1.00 32.20 H new ATOM 967 N PHE A 65 14.025 -17.059 -13.661 1.00 63.25 N ATOM 968 CA PHE A 65 12.747 -17.708 -13.915 1.00 14.42 C ATOM 969 C PHE A 65 11.790 -17.615 -12.721 1.00 42.40 C ATOM 970 O PHE A 65 10.577 -17.727 -12.896 1.00 24.01 O ATOM 971 CB PHE A 65 12.961 -19.182 -14.298 1.00 50.23 C ATOM 972 CG PHE A 65 12.949 -19.410 -15.787 1.00 53.42 C ATOM 973 CD1 PHE A 65 13.979 -18.902 -16.601 1.00 34.15 C ATOM 974 CD2 PHE A 65 11.900 -20.121 -16.383 1.00 13.20 C ATOM 975 CE1 PHE A 65 13.961 -19.097 -17.991 1.00 40.55 C ATOM 976 CE2 PHE A 65 11.865 -20.318 -17.782 1.00 50.11 C ATOM 977 CZ PHE A 65 12.895 -19.797 -18.588 1.00 11.20 C ATOM 0 H PHE A 65 14.797 -17.693 -13.456 1.00 63.25 H new ATOM 0 HA PHE A 65 12.284 -17.175 -14.745 1.00 14.42 H new ATOM 0 HB2 PHE A 65 13.913 -19.523 -13.891 1.00 50.23 H new ATOM 0 HB3 PHE A 65 12.182 -19.789 -13.837 1.00 50.23 H new ATOM 0 HD1 PHE A 65 14.794 -18.355 -16.150 1.00 34.15 H new ATOM 0 HD2 PHE A 65 11.109 -20.523 -15.767 1.00 13.20 H new ATOM 0 HE1 PHE A 65 14.764 -18.711 -18.602 1.00 40.55 H new ATOM 0 HE2 PHE A 65 11.051 -20.867 -18.231 1.00 50.11 H new ATOM 0 HZ PHE A 65 12.868 -19.934 -19.659 1.00 11.20 H new ATOM 987 N SER A 66 12.327 -17.386 -11.532 1.00 31.25 N ATOM 988 CA SER A 66 11.482 -17.189 -10.354 1.00 52.12 C ATOM 989 C SER A 66 11.071 -15.712 -10.222 1.00 30.30 C ATOM 990 O SER A 66 10.123 -15.380 -9.509 1.00 43.33 O ATOM 991 CB SER A 66 12.249 -17.600 -9.097 1.00 23.02 C ATOM 992 OG SER A 66 12.601 -18.980 -9.177 1.00 42.13 O ATOM 0 H SER A 66 13.330 -17.332 -11.354 1.00 31.25 H new ATOM 0 HA SER A 66 10.588 -17.802 -10.467 1.00 52.12 H new ATOM 0 HB2 SER A 66 13.147 -16.991 -8.992 1.00 23.02 H new ATOM 0 HB3 SER A 66 11.638 -17.421 -8.212 1.00 23.02 H new ATOM 0 HG SER A 66 13.384 -19.085 -9.757 1.00 42.13 H new ATOM 998 N SER A 67 11.829 -14.838 -10.846 1.00 60.13 N ATOM 999 CA SER A 67 11.627 -13.398 -10.770 1.00 74.31 C ATOM 1000 C SER A 67 11.899 -12.761 -12.132 1.00 1.42 C ATOM 1001 O SER A 67 12.975 -12.184 -12.342 1.00 54.42 O ATOM 1002 CB SER A 67 12.560 -12.809 -9.723 1.00 74.53 C ATOM 1003 OG SER A 67 12.410 -11.410 -9.673 1.00 22.11 O ATOM 0 H SER A 67 12.619 -15.107 -11.433 1.00 60.13 H new ATOM 0 HA SER A 67 10.595 -13.193 -10.487 1.00 74.31 H new ATOM 0 HB2 SER A 67 12.342 -13.241 -8.746 1.00 74.53 H new ATOM 0 HB3 SER A 67 13.593 -13.063 -9.961 1.00 74.53 H new ATOM 0 HG SER A 67 11.462 -11.179 -9.761 1.00 22.11 H new ATOM 1009 N PRO A 68 10.958 -12.881 -13.072 1.00 44.30 N ATOM 1010 CA PRO A 68 11.222 -12.336 -14.413 1.00 43.30 C ATOM 1011 C PRO A 68 11.059 -10.822 -14.532 1.00 11.13 C ATOM 1012 O PRO A 68 11.308 -10.269 -15.602 1.00 63.13 O ATOM 1013 CB PRO A 68 10.178 -13.036 -15.243 1.00 14.51 C ATOM 1014 CG PRO A 68 9.018 -13.142 -14.321 1.00 25.31 C ATOM 1015 CD PRO A 68 9.636 -13.529 -13.017 1.00 61.24 C ATOM 0 HA PRO A 68 12.257 -12.501 -14.712 1.00 43.30 H new ATOM 0 HB2 PRO A 68 9.929 -12.467 -16.138 1.00 14.51 H new ATOM 0 HB3 PRO A 68 10.519 -14.017 -15.574 1.00 14.51 H new ATOM 0 HG2 PRO A 68 8.480 -12.197 -14.244 1.00 25.31 H new ATOM 0 HG3 PRO A 68 8.302 -13.890 -14.662 1.00 25.31 H new ATOM 0 HD2 PRO A 68 9.048 -13.175 -12.171 1.00 61.24 H new ATOM 0 HD3 PRO A 68 9.721 -14.611 -12.916 1.00 61.24 H new ATOM 1023 N THR A 69 10.659 -10.165 -13.451 1.00 71.22 N ATOM 1024 CA THR A 69 10.502 -8.704 -13.457 1.00 22.33 C ATOM 1025 C THR A 69 11.703 -8.037 -12.769 1.00 43.24 C ATOM 1026 O THR A 69 12.228 -8.561 -11.782 1.00 21.24 O ATOM 1027 CB THR A 69 9.247 -8.258 -12.679 1.00 61.22 C ATOM 1028 OG1 THR A 69 9.274 -8.810 -11.364 1.00 23.31 O ATOM 1029 CG2 THR A 69 7.979 -8.745 -13.381 1.00 43.45 C ATOM 0 H THR A 69 10.437 -10.611 -12.561 1.00 71.22 H new ATOM 0 HA THR A 69 10.420 -8.408 -14.503 1.00 22.33 H new ATOM 0 HB THR A 69 9.243 -7.169 -12.633 1.00 61.22 H new ATOM 0 HG1 THR A 69 8.476 -8.523 -10.872 1.00 23.31 H new ATOM 0 HG21 THR A 69 7.104 -8.421 -12.818 1.00 43.45 H new ATOM 0 HG22 THR A 69 7.937 -8.328 -14.387 1.00 43.45 H new ATOM 0 HG23 THR A 69 7.990 -9.833 -13.439 1.00 43.45 H new ATOM 1037 N PRO A 70 12.145 -6.869 -13.263 1.00 53.10 N ATOM 1038 CA PRO A 70 13.294 -6.205 -12.643 1.00 31.11 C ATOM 1039 C PRO A 70 13.283 -6.004 -11.153 1.00 22.45 C ATOM 1040 O PRO A 70 14.335 -6.139 -10.515 1.00 33.41 O ATOM 1041 CB PRO A 70 13.262 -4.817 -13.281 1.00 72.04 C ATOM 1042 CG PRO A 70 12.757 -5.060 -14.634 1.00 33.54 C ATOM 1043 CD PRO A 70 11.671 -6.103 -14.436 1.00 2.55 C ATOM 0 HA PRO A 70 14.167 -6.837 -12.804 1.00 31.11 H new ATOM 0 HB2 PRO A 70 12.612 -4.139 -12.728 1.00 72.04 H new ATOM 0 HB3 PRO A 70 14.253 -4.364 -13.300 1.00 72.04 H new ATOM 0 HG2 PRO A 70 12.359 -4.149 -15.082 1.00 33.54 H new ATOM 0 HG3 PRO A 70 13.544 -5.423 -15.295 1.00 33.54 H new ATOM 0 HD2 PRO A 70 10.700 -5.643 -14.251 1.00 2.55 H new ATOM 0 HD3 PRO A 70 11.560 -6.739 -15.314 1.00 2.55 H new ATOM 1051 N ALA A 71 12.160 -5.577 -10.583 1.00 52.22 N ATOM 1052 CA ALA A 71 12.203 -5.152 -9.196 1.00 61.20 C ATOM 1053 C ALA A 71 12.505 -6.359 -8.296 1.00 42.03 C ATOM 1054 O ALA A 71 13.129 -6.248 -7.240 1.00 53.43 O ATOM 1055 CB ALA A 71 10.889 -4.476 -8.782 1.00 72.14 C ATOM 0 H ALA A 71 11.249 -5.518 -11.038 1.00 52.22 H new ATOM 0 HA ALA A 71 12.998 -4.415 -9.081 1.00 61.20 H new ATOM 0 HB1 ALA A 71 10.951 -4.169 -7.738 1.00 72.14 H new ATOM 0 HB2 ALA A 71 10.717 -3.601 -9.408 1.00 72.14 H new ATOM 0 HB3 ALA A 71 10.064 -5.178 -8.905 1.00 72.14 H new ATOM 1061 N GLY A 72 12.056 -7.527 -8.736 1.00 42.15 N ATOM 1062 CA GLY A 72 12.266 -8.743 -7.963 1.00 35.55 C ATOM 1063 C GLY A 72 13.713 -9.170 -8.008 1.00 2.51 C ATOM 1064 O GLY A 72 14.268 -9.622 -7.016 1.00 54.41 O ATOM 0 H GLY A 72 11.551 -7.658 -9.612 1.00 42.15 H new ATOM 0 HA2 GLY A 72 11.964 -8.577 -6.929 1.00 35.55 H new ATOM 0 HA3 GLY A 72 11.635 -9.541 -8.355 1.00 35.55 H new ATOM 1068 N VAL A 73 14.354 -8.960 -9.151 1.00 24.13 N ATOM 1069 CA VAL A 73 15.779 -9.269 -9.284 1.00 40.43 C ATOM 1070 C VAL A 73 16.568 -8.293 -8.415 1.00 31.32 C ATOM 1071 O VAL A 73 17.528 -8.671 -7.743 1.00 34.11 O ATOM 1072 CB VAL A 73 16.244 -9.176 -10.782 1.00 53.12 C ATOM 1073 CG1 VAL A 73 17.744 -9.469 -10.910 1.00 62.40 C ATOM 1074 CG2 VAL A 73 15.441 -10.169 -11.650 1.00 51.04 C ATOM 0 H VAL A 73 13.919 -8.582 -9.992 1.00 24.13 H new ATOM 0 HA VAL A 73 15.959 -10.292 -8.954 1.00 40.43 H new ATOM 0 HB VAL A 73 16.060 -8.160 -11.132 1.00 53.12 H new ATOM 0 HG11 VAL A 73 18.041 -9.398 -11.956 1.00 62.40 H new ATOM 0 HG12 VAL A 73 18.308 -8.744 -10.323 1.00 62.40 H new ATOM 0 HG13 VAL A 73 17.951 -10.474 -10.541 1.00 62.40 H new ATOM 0 HG21 VAL A 73 15.771 -10.096 -12.686 1.00 51.04 H new ATOM 0 HG22 VAL A 73 15.605 -11.184 -11.287 1.00 51.04 H new ATOM 0 HG23 VAL A 73 14.379 -9.929 -11.590 1.00 51.04 H new ATOM 1084 N ALA A 74 16.172 -7.028 -8.411 1.00 2.11 N ATOM 1085 CA ALA A 74 16.889 -5.990 -7.667 1.00 14.41 C ATOM 1086 C ALA A 74 16.954 -6.279 -6.167 1.00 42.41 C ATOM 1087 O ALA A 74 17.998 -6.092 -5.546 1.00 2.13 O ATOM 1088 CB ALA A 74 16.218 -4.645 -7.898 1.00 20.24 C ATOM 0 H ALA A 74 15.353 -6.690 -8.917 1.00 2.11 H new ATOM 0 HA ALA A 74 17.914 -5.975 -8.038 1.00 14.41 H new ATOM 0 HB1 ALA A 74 16.751 -3.872 -7.344 1.00 20.24 H new ATOM 0 HB2 ALA A 74 16.236 -4.407 -8.962 1.00 20.24 H new ATOM 0 HB3 ALA A 74 15.185 -4.690 -7.554 1.00 20.24 H new ATOM 1094 N ARG A 75 15.859 -6.718 -5.575 1.00 61.24 N ATOM 1095 CA ARG A 75 15.842 -7.011 -4.140 1.00 3.04 C ATOM 1096 C ARG A 75 16.635 -8.268 -3.817 1.00 22.53 C ATOM 1097 O ARG A 75 17.158 -8.408 -2.714 1.00 45.40 O ATOM 1098 CB ARG A 75 14.395 -7.121 -3.625 1.00 72.14 C ATOM 1099 CG ARG A 75 13.577 -8.276 -4.213 1.00 40.25 C ATOM 1100 CD ARG A 75 12.187 -8.371 -3.578 1.00 24.43 C ATOM 1101 NE ARG A 75 12.284 -8.745 -2.161 1.00 51.13 N ATOM 1102 CZ ARG A 75 11.251 -8.877 -1.328 1.00 14.24 C ATOM 1103 NH1 ARG A 75 10.012 -8.673 -1.711 1.00 52.00 N ATOM 1104 NH2 ARG A 75 11.466 -9.218 -0.094 1.00 33.21 N ATOM 0 H ARG A 75 14.973 -6.881 -6.054 1.00 61.24 H new ATOM 0 HA ARG A 75 16.326 -6.181 -3.625 1.00 3.04 H new ATOM 0 HB2 ARG A 75 14.420 -7.230 -2.541 1.00 72.14 H new ATOM 0 HB3 ARG A 75 13.878 -6.185 -3.839 1.00 72.14 H new ATOM 0 HG2 ARG A 75 13.476 -8.138 -5.290 1.00 40.25 H new ATOM 0 HG3 ARG A 75 14.111 -9.214 -4.060 1.00 40.25 H new ATOM 0 HD2 ARG A 75 11.674 -7.414 -3.672 1.00 24.43 H new ATOM 0 HD3 ARG A 75 11.588 -9.108 -4.113 1.00 24.43 H new ATOM 0 HE ARG A 75 13.216 -8.918 -1.784 1.00 51.13 H new ATOM 0 HH11 ARG A 75 9.814 -8.404 -2.675 1.00 52.00 H new ATOM 0 HH12 ARG A 75 9.248 -8.784 -1.045 1.00 52.00 H new ATOM 0 HH21 ARG A 75 12.419 -9.382 0.231 1.00 33.21 H new ATOM 0 HH22 ARG A 75 10.682 -9.321 0.551 1.00 33.21 H new