USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 857 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 79 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 80 SER OG : rot -170:sc= -0.0094 USER MOD Set 2.1: A 68 THR OG1 : rot -101:sc= 0.543 USER MOD Set 2.2: A 69 ASN : amide:sc= -2.28 K(o=-1.7,f=-4.8!) USER MOD Set 3.1: A 39 SER OG : rot -91:sc= 0.42 USER MOD Set 3.2: A 42 SER OG : rot 84:sc= 1.34 USER MOD Single : A 12 HIS : no HD1:sc= -0.0124 X(o=-0.012,f=-0.00062) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 35:sc= 0.0561 USER MOD Single : A 24 THR OG1 : rot 59:sc= 1.08 USER MOD Single : A 26 SER OG : rot 31:sc= 0.99 USER MOD Single : A 27 ASN : amide:sc= -0.165 K(o=-0.16,f=-3.3!) USER MOD Single : A 30 SER OG : rot -60:sc= 0.248 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.0194 USER MOD Single : A 36 HIS : no HD1:sc= -1.9 K(o=-1.9,f=-5.2) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 60:sc= -0.231 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0511 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.466 X(o=-0.47,f=-0.18) USER MOD Single : A 83 THR OG1 : rot -43:sc= 1.24 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 160:sc= 0.0418 USER MOD ----------------------------------------------------------------- ATOM 168 N HIS A 12 10.791 10.181 -10.183 1.00 74.33 N ATOM 169 CA HIS A 12 9.895 10.978 -9.353 1.00 21.04 C ATOM 170 C HIS A 12 10.673 11.713 -8.265 1.00 43.25 C ATOM 171 O HIS A 12 11.638 11.185 -7.713 1.00 21.41 O ATOM 172 CB HIS A 12 8.827 10.088 -8.718 1.00 35.34 C ATOM 173 CG HIS A 12 7.432 10.429 -9.144 1.00 71.32 C ATOM 174 ND1 HIS A 12 6.566 9.506 -9.692 1.00 15.24 N ATOM 175 CD2 HIS A 12 6.754 11.599 -9.100 1.00 12.33 C ATOM 176 CE1 HIS A 12 5.415 10.095 -9.967 1.00 24.11 C ATOM 177 NE2 HIS A 12 5.503 11.365 -9.617 1.00 3.43 N ATOM 0 HA HIS A 12 9.410 11.716 -9.991 1.00 21.04 H new ATOM 0 HB2 HIS A 12 9.033 9.049 -8.974 1.00 35.34 H new ATOM 0 HB3 HIS A 12 8.897 10.169 -7.633 1.00 35.34 H new ATOM 0 HD2 HIS A 12 7.127 12.542 -8.728 1.00 12.33 H new ATOM 0 HE1 HIS A 12 4.550 9.618 -10.404 1.00 24.11 H new ATOM 0 HE2 HIS A 12 4.762 12.060 -9.715 1.00 3.43 H new ATOM 185 N VAL A 13 10.248 12.936 -7.964 1.00 32.11 N ATOM 186 CA VAL A 13 10.904 13.744 -6.943 1.00 22.30 C ATOM 187 C VAL A 13 10.029 13.878 -5.702 1.00 50.40 C ATOM 188 O VAL A 13 9.069 14.649 -5.688 1.00 51.31 O ATOM 189 CB VAL A 13 11.245 15.149 -7.473 1.00 12.44 C ATOM 190 CG1 VAL A 13 12.088 15.911 -6.461 1.00 53.44 C ATOM 191 CG2 VAL A 13 11.960 15.055 -8.812 1.00 20.22 C ATOM 0 H VAL A 13 9.452 13.389 -8.413 1.00 32.11 H new ATOM 0 HA VAL A 13 11.828 13.230 -6.678 1.00 22.30 H new ATOM 0 HB VAL A 13 10.315 15.698 -7.622 1.00 12.44 H new ATOM 0 HG11 VAL A 13 12.319 16.902 -6.853 1.00 53.44 H new ATOM 0 HG12 VAL A 13 11.534 16.010 -5.527 1.00 53.44 H new ATOM 0 HG13 VAL A 13 13.015 15.368 -6.277 1.00 53.44 H new ATOM 0 HG21 VAL A 13 12.193 16.057 -9.171 1.00 20.22 H new ATOM 0 HG22 VAL A 13 12.884 14.489 -8.692 1.00 20.22 H new ATOM 0 HG23 VAL A 13 11.317 14.552 -9.534 1.00 20.22 H new ATOM 201 N ILE A 14 10.367 13.124 -4.662 1.00 1.23 N ATOM 202 CA ILE A 14 9.613 13.161 -3.415 1.00 33.20 C ATOM 203 C ILE A 14 9.940 14.415 -2.611 1.00 73.32 C ATOM 204 O ILE A 14 11.031 14.973 -2.726 1.00 61.25 O ATOM 205 CB ILE A 14 9.897 11.920 -2.548 1.00 44.11 C ATOM 206 CG1 ILE A 14 9.852 10.652 -3.403 1.00 43.23 C ATOM 207 CG2 ILE A 14 8.896 11.831 -1.406 1.00 4.12 C ATOM 208 CD1 ILE A 14 8.541 10.462 -4.133 1.00 42.24 C ATOM 0 H ILE A 14 11.158 12.480 -4.658 1.00 1.23 H new ATOM 0 HA ILE A 14 8.557 13.171 -3.685 1.00 33.20 H new ATOM 0 HB ILE A 14 10.896 12.013 -2.123 1.00 44.11 H new ATOM 0 HG12 ILE A 14 10.662 10.685 -4.131 1.00 43.23 H new ATOM 0 HG13 ILE A 14 10.032 9.787 -2.765 1.00 43.23 H new ATOM 0 HG21 ILE A 14 9.110 10.949 -0.803 1.00 4.12 H new ATOM 0 HG22 ILE A 14 8.973 12.723 -0.785 1.00 4.12 H new ATOM 0 HG23 ILE A 14 7.887 11.757 -1.812 1.00 4.12 H new ATOM 0 HD11 ILE A 14 8.581 9.544 -4.719 1.00 42.24 H new ATOM 0 HD12 ILE A 14 7.728 10.396 -3.410 1.00 42.24 H new ATOM 0 HD13 ILE A 14 8.368 11.309 -4.797 1.00 42.24 H new ATOM 220 N LYS A 15 8.987 14.852 -1.795 1.00 3.54 N ATOM 221 CA LYS A 15 9.173 16.039 -0.968 1.00 25.13 C ATOM 222 C LYS A 15 8.072 16.149 0.081 1.00 15.42 C ATOM 223 O LYS A 15 7.432 17.192 0.216 1.00 51.44 O ATOM 224 CB LYS A 15 9.190 17.296 -1.840 1.00 11.21 C ATOM 225 CG LYS A 15 7.994 17.407 -2.769 1.00 53.43 C ATOM 226 CD LYS A 15 7.366 18.790 -2.708 1.00 22.05 C ATOM 227 CE LYS A 15 5.982 18.802 -3.337 1.00 14.22 C ATOM 228 NZ LYS A 15 5.134 19.898 -2.791 1.00 41.42 N ATOM 0 H LYS A 15 8.078 14.402 -1.688 1.00 3.54 H new ATOM 0 HA LYS A 15 10.131 15.948 -0.455 1.00 25.13 H new ATOM 0 HB2 LYS A 15 9.222 18.175 -1.196 1.00 11.21 H new ATOM 0 HB3 LYS A 15 10.103 17.303 -2.435 1.00 11.21 H new ATOM 0 HG2 LYS A 15 8.305 17.193 -3.791 1.00 53.43 H new ATOM 0 HG3 LYS A 15 7.251 16.657 -2.498 1.00 53.43 H new ATOM 0 HD2 LYS A 15 7.298 19.114 -1.670 1.00 22.05 H new ATOM 0 HD3 LYS A 15 8.007 19.505 -3.224 1.00 22.05 H new ATOM 0 HE2 LYS A 15 6.075 18.918 -4.417 1.00 14.22 H new ATOM 0 HE3 LYS A 15 5.494 17.843 -3.160 1.00 14.22 H new ATOM 0 HZ1 LYS A 15 4.199 19.872 -3.245 1.00 41.42 H new ATOM 0 HZ2 LYS A 15 5.024 19.773 -1.764 1.00 41.42 H new ATOM 0 HZ3 LYS A 15 5.586 20.815 -2.982 1.00 41.42 H new ATOM 242 N SER A 16 7.856 15.068 0.823 1.00 22.30 N ATOM 243 CA SER A 16 6.830 15.043 1.859 1.00 71.14 C ATOM 244 C SER A 16 7.206 14.072 2.973 1.00 24.25 C ATOM 245 O SER A 16 7.981 13.137 2.764 1.00 40.34 O ATOM 246 CB SER A 16 5.479 14.649 1.258 1.00 20.22 C ATOM 247 OG SER A 16 4.709 15.795 0.940 1.00 73.23 O ATOM 0 H SER A 16 8.378 14.197 0.726 1.00 22.30 H new ATOM 0 HA SER A 16 6.753 16.044 2.284 1.00 71.14 H new ATOM 0 HB2 SER A 16 5.637 14.052 0.360 1.00 20.22 H new ATOM 0 HB3 SER A 16 4.932 14.024 1.964 1.00 20.22 H new ATOM 0 HG SER A 16 5.303 16.516 0.643 1.00 73.23 H new ATOM 253 N LEU A 17 6.653 14.299 4.159 1.00 0.54 N ATOM 254 CA LEU A 17 6.930 13.446 5.309 1.00 34.54 C ATOM 255 C LEU A 17 6.309 12.065 5.124 1.00 32.40 C ATOM 256 O LEU A 17 7.001 11.049 5.189 1.00 11.30 O ATOM 257 CB LEU A 17 6.394 14.090 6.589 1.00 51.41 C ATOM 258 CG LEU A 17 7.232 13.877 7.850 1.00 60.41 C ATOM 259 CD1 LEU A 17 8.479 14.746 7.816 1.00 42.23 C ATOM 260 CD2 LEU A 17 6.408 14.172 9.095 1.00 73.25 C ATOM 0 H LEU A 17 6.010 15.067 4.350 1.00 0.54 H new ATOM 0 HA LEU A 17 8.011 13.331 5.392 1.00 34.54 H new ATOM 0 HB2 LEU A 17 6.296 15.162 6.419 1.00 51.41 H new ATOM 0 HB3 LEU A 17 5.392 13.704 6.774 1.00 51.41 H new ATOM 0 HG LEU A 17 7.543 12.833 7.883 1.00 60.41 H new ATOM 0 HD11 LEU A 17 9.063 14.581 8.722 1.00 42.23 H new ATOM 0 HD12 LEU A 17 9.080 14.486 6.945 1.00 42.23 H new ATOM 0 HD13 LEU A 17 8.190 15.795 7.757 1.00 42.23 H new ATOM 0 HD21 LEU A 17 7.021 14.015 9.983 1.00 73.25 H new ATOM 0 HD22 LEU A 17 6.066 15.207 9.068 1.00 73.25 H new ATOM 0 HD23 LEU A 17 5.546 13.506 9.127 1.00 73.25 H new ATOM 272 N GLU A 18 5.000 12.036 4.891 1.00 64.01 N ATOM 273 CA GLU A 18 4.287 10.779 4.695 1.00 45.25 C ATOM 274 C GLU A 18 4.962 9.933 3.619 1.00 43.24 C ATOM 275 O GLU A 18 5.189 8.739 3.806 1.00 22.52 O ATOM 276 CB GLU A 18 2.831 11.048 4.309 1.00 44.03 C ATOM 277 CG GLU A 18 1.833 10.642 5.380 1.00 60.13 C ATOM 278 CD GLU A 18 0.405 10.629 4.871 1.00 14.00 C ATOM 279 OE1 GLU A 18 0.075 9.744 4.054 1.00 54.23 O ATOM 280 OE2 GLU A 18 -0.383 11.503 5.290 1.00 43.15 O ATOM 0 H GLU A 18 4.413 12.868 4.833 1.00 64.01 H new ATOM 0 HA GLU A 18 4.310 10.227 5.635 1.00 45.25 H new ATOM 0 HB2 GLU A 18 2.711 12.110 4.096 1.00 44.03 H new ATOM 0 HB3 GLU A 18 2.603 10.510 3.389 1.00 44.03 H new ATOM 0 HG2 GLU A 18 2.090 9.651 5.754 1.00 60.13 H new ATOM 0 HG3 GLU A 18 1.909 11.330 6.222 1.00 60.13 H new ATOM 287 N GLU A 19 5.279 10.563 2.491 1.00 24.24 N ATOM 288 CA GLU A 19 5.927 9.868 1.385 1.00 33.41 C ATOM 289 C GLU A 19 7.271 9.289 1.818 1.00 34.41 C ATOM 290 O GLU A 19 7.659 8.202 1.387 1.00 3.13 O ATOM 291 CB GLU A 19 6.126 10.818 0.203 1.00 53.23 C ATOM 292 CG GLU A 19 6.216 10.110 -1.139 1.00 14.52 C ATOM 293 CD GLU A 19 4.937 9.380 -1.500 1.00 54.30 C ATOM 294 OE1 GLU A 19 3.958 10.054 -1.886 1.00 2.05 O ATOM 295 OE2 GLU A 19 4.914 8.136 -1.397 1.00 52.11 O ATOM 0 H GLU A 19 5.098 11.552 2.320 1.00 24.24 H new ATOM 0 HA GLU A 19 5.280 9.047 1.077 1.00 33.41 H new ATOM 0 HB2 GLU A 19 5.299 11.528 0.175 1.00 53.23 H new ATOM 0 HB3 GLU A 19 7.037 11.396 0.361 1.00 53.23 H new ATOM 0 HG2 GLU A 19 6.445 10.839 -1.916 1.00 14.52 H new ATOM 0 HG3 GLU A 19 7.042 9.399 -1.116 1.00 14.52 H new ATOM 302 N LEU A 20 7.976 10.022 2.672 1.00 22.10 N ATOM 303 CA LEU A 20 9.278 9.583 3.164 1.00 75.20 C ATOM 304 C LEU A 20 9.133 8.371 4.079 1.00 62.34 C ATOM 305 O LEU A 20 9.616 7.283 3.765 1.00 61.34 O ATOM 306 CB LEU A 20 9.972 10.721 3.913 1.00 43.30 C ATOM 307 CG LEU A 20 11.471 10.879 3.654 1.00 51.02 C ATOM 308 CD1 LEU A 20 11.714 11.490 2.282 1.00 21.34 C ATOM 309 CD2 LEU A 20 12.113 11.730 4.740 1.00 64.41 C ATOM 0 H LEU A 20 7.669 10.923 3.038 1.00 22.10 H new ATOM 0 HA LEU A 20 9.886 9.297 2.306 1.00 75.20 H new ATOM 0 HB2 LEU A 20 9.478 11.656 3.651 1.00 43.30 H new ATOM 0 HB3 LEU A 20 9.822 10.570 4.982 1.00 43.30 H new ATOM 0 HG LEU A 20 11.930 9.891 3.676 1.00 51.02 H new ATOM 0 HD11 LEU A 20 12.786 11.595 2.115 1.00 21.34 H new ATOM 0 HD12 LEU A 20 11.289 10.843 1.515 1.00 21.34 H new ATOM 0 HD13 LEU A 20 11.241 12.471 2.232 1.00 21.34 H new ATOM 0 HD21 LEU A 20 13.180 11.832 4.540 1.00 64.41 H new ATOM 0 HD22 LEU A 20 11.650 12.717 4.750 1.00 64.41 H new ATOM 0 HD23 LEU A 20 11.970 11.252 5.709 1.00 64.41 H new ATOM 321 N ARG A 21 8.464 8.566 5.210 1.00 11.01 N ATOM 322 CA ARG A 21 8.255 7.489 6.170 1.00 71.31 C ATOM 323 C ARG A 21 7.659 6.261 5.488 1.00 65.45 C ATOM 324 O ARG A 21 7.895 5.129 5.910 1.00 43.21 O ATOM 325 CB ARG A 21 7.334 7.955 7.299 1.00 21.52 C ATOM 326 CG ARG A 21 7.079 6.891 8.355 1.00 53.04 C ATOM 327 CD ARG A 21 5.892 7.252 9.234 1.00 54.43 C ATOM 328 NE ARG A 21 4.620 7.070 8.539 1.00 62.32 N ATOM 329 CZ ARG A 21 3.450 7.456 9.034 1.00 33.45 C ATOM 330 NH1 ARG A 21 3.390 8.043 10.222 1.00 71.23 N ATOM 331 NH2 ARG A 21 2.336 7.255 8.342 1.00 71.32 N ATOM 0 H ARG A 21 8.057 9.460 5.484 1.00 11.01 H new ATOM 0 HA ARG A 21 9.224 7.217 6.589 1.00 71.31 H new ATOM 0 HB2 ARG A 21 7.773 8.831 7.776 1.00 21.52 H new ATOM 0 HB3 ARG A 21 6.381 8.268 6.873 1.00 21.52 H new ATOM 0 HG2 ARG A 21 6.896 5.932 7.870 1.00 53.04 H new ATOM 0 HG3 ARG A 21 7.968 6.771 8.974 1.00 53.04 H new ATOM 0 HD2 ARG A 21 5.906 6.635 10.132 1.00 54.43 H new ATOM 0 HD3 ARG A 21 5.983 8.289 9.558 1.00 54.43 H new ATOM 0 HE ARG A 21 4.631 6.622 7.623 1.00 62.32 H new ATOM 0 HH11 ARG A 21 4.244 8.199 10.758 1.00 71.23 H new ATOM 0 HH12 ARG A 21 2.490 8.339 10.600 1.00 71.23 H new ATOM 0 HH21 ARG A 21 2.378 6.803 7.428 1.00 71.32 H new ATOM 0 HH22 ARG A 21 1.438 7.552 8.724 1.00 71.32 H new ATOM 345 N GLU A 22 6.887 6.493 4.431 1.00 13.21 N ATOM 346 CA GLU A 22 6.257 5.405 3.692 1.00 51.41 C ATOM 347 C GLU A 22 7.263 4.718 2.773 1.00 12.00 C ATOM 348 O GLU A 22 7.317 3.491 2.702 1.00 30.32 O ATOM 349 CB GLU A 22 5.077 5.932 2.872 1.00 45.33 C ATOM 350 CG GLU A 22 4.493 4.905 1.917 1.00 33.11 C ATOM 351 CD GLU A 22 2.981 4.985 1.828 1.00 41.52 C ATOM 352 OE1 GLU A 22 2.466 6.063 1.463 1.00 34.00 O ATOM 353 OE2 GLU A 22 2.314 3.972 2.123 1.00 50.13 O ATOM 0 H GLU A 22 6.683 7.424 4.067 1.00 13.21 H new ATOM 0 HA GLU A 22 5.891 4.674 4.413 1.00 51.41 H new ATOM 0 HB2 GLU A 22 4.295 6.270 3.552 1.00 45.33 H new ATOM 0 HB3 GLU A 22 5.401 6.803 2.302 1.00 45.33 H new ATOM 0 HG2 GLU A 22 4.920 5.053 0.925 1.00 33.11 H new ATOM 0 HG3 GLU A 22 4.782 3.906 2.243 1.00 33.11 H new ATOM 360 N ALA A 23 8.057 5.519 2.071 1.00 43.14 N ATOM 361 CA ALA A 23 9.062 4.989 1.157 1.00 1.14 C ATOM 362 C ALA A 23 10.072 4.119 1.898 1.00 43.14 C ATOM 363 O ALA A 23 10.725 3.262 1.301 1.00 42.11 O ATOM 364 CB ALA A 23 9.771 6.126 0.435 1.00 75.50 C ATOM 0 H ALA A 23 8.024 6.537 2.117 1.00 43.14 H new ATOM 0 HA ALA A 23 8.555 4.366 0.420 1.00 1.14 H new ATOM 0 HB1 ALA A 23 10.519 5.716 -0.244 1.00 75.50 H new ATOM 0 HB2 ALA A 23 9.044 6.706 -0.133 1.00 75.50 H new ATOM 0 HB3 ALA A 23 10.259 6.772 1.165 1.00 75.50 H new ATOM 370 N THR A 24 10.198 4.345 3.202 1.00 74.22 N ATOM 371 CA THR A 24 11.130 3.583 4.023 1.00 33.02 C ATOM 372 C THR A 24 10.527 2.248 4.445 1.00 72.12 C ATOM 373 O THR A 24 11.248 1.296 4.742 1.00 44.41 O ATOM 374 CB THR A 24 11.540 4.369 5.283 1.00 61.40 C ATOM 375 OG1 THR A 24 10.519 5.312 5.626 1.00 32.25 O ATOM 376 CG2 THR A 24 12.857 5.098 5.061 1.00 32.52 C ATOM 0 H THR A 24 9.666 5.050 3.712 1.00 74.22 H new ATOM 0 HA THR A 24 12.014 3.402 3.412 1.00 33.02 H new ATOM 0 HB THR A 24 11.669 3.660 6.101 1.00 61.40 H new ATOM 0 HG1 THR A 24 9.676 4.838 5.786 1.00 32.25 H new ATOM 0 HG21 THR A 24 13.126 5.646 5.964 1.00 32.52 H new ATOM 0 HG22 THR A 24 13.639 4.375 4.829 1.00 32.52 H new ATOM 0 HG23 THR A 24 12.751 5.796 4.231 1.00 32.52 H new ATOM 384 N ALA A 25 9.199 2.184 4.468 1.00 45.30 N ATOM 385 CA ALA A 25 8.500 0.964 4.851 1.00 53.34 C ATOM 386 C ALA A 25 7.768 0.355 3.660 1.00 70.43 C ATOM 387 O ALA A 25 6.938 -0.540 3.821 1.00 52.13 O ATOM 388 CB ALA A 25 7.524 1.249 5.983 1.00 71.51 C ATOM 0 H ALA A 25 8.587 2.963 4.226 1.00 45.30 H new ATOM 0 HA ALA A 25 9.240 0.243 5.197 1.00 53.34 H new ATOM 0 HB1 ALA A 25 7.009 0.329 6.259 1.00 71.51 H new ATOM 0 HB2 ALA A 25 8.069 1.633 6.845 1.00 71.51 H new ATOM 0 HB3 ALA A 25 6.794 1.990 5.656 1.00 71.51 H new ATOM 394 N SER A 26 8.081 0.845 2.465 1.00 70.15 N ATOM 395 CA SER A 26 7.449 0.351 1.246 1.00 25.05 C ATOM 396 C SER A 26 7.968 -1.039 0.891 1.00 62.02 C ATOM 397 O SER A 26 9.048 -1.439 1.322 1.00 23.44 O ATOM 398 CB SER A 26 7.706 1.315 0.087 1.00 53.52 C ATOM 399 OG SER A 26 7.013 2.537 0.277 1.00 4.22 O ATOM 0 H SER A 26 8.768 1.584 2.314 1.00 70.15 H new ATOM 0 HA SER A 26 6.375 0.285 1.423 1.00 25.05 H new ATOM 0 HB2 SER A 26 8.775 1.509 0.001 1.00 53.52 H new ATOM 0 HB3 SER A 26 7.390 0.856 -0.849 1.00 53.52 H new ATOM 0 HG SER A 26 6.936 2.723 1.236 1.00 4.22 H new ATOM 405 N ASN A 27 7.189 -1.770 0.100 1.00 30.13 N ATOM 406 CA ASN A 27 7.568 -3.116 -0.314 1.00 22.01 C ATOM 407 C ASN A 27 8.300 -3.087 -1.652 1.00 62.42 C ATOM 408 O ASN A 27 8.049 -3.917 -2.527 1.00 14.53 O ATOM 409 CB ASN A 27 6.330 -4.009 -0.416 1.00 52.43 C ATOM 410 CG ASN A 27 5.444 -3.636 -1.589 1.00 53.41 C ATOM 411 OD1 ASN A 27 5.057 -2.477 -1.746 1.00 30.34 O ATOM 412 ND2 ASN A 27 5.118 -4.619 -2.420 1.00 55.31 N ATOM 0 H ASN A 27 6.292 -1.453 -0.267 1.00 30.13 H new ATOM 0 HA ASN A 27 8.241 -3.525 0.440 1.00 22.01 H new ATOM 0 HB2 ASN A 27 6.642 -5.049 -0.516 1.00 52.43 H new ATOM 0 HB3 ASN A 27 5.756 -3.936 0.507 1.00 52.43 H new ATOM 0 HD21 ASN A 27 4.524 -4.429 -3.227 1.00 55.31 H new ATOM 0 HD22 ASN A 27 5.461 -5.565 -2.251 1.00 55.31 H new ATOM 419 N ARG A 28 9.207 -2.128 -1.804 1.00 3.02 N ATOM 420 CA ARG A 28 9.976 -1.991 -3.035 1.00 54.22 C ATOM 421 C ARG A 28 11.432 -1.650 -2.732 1.00 53.54 C ATOM 422 O ARG A 28 11.868 -1.712 -1.583 1.00 32.25 O ATOM 423 CB ARG A 28 9.362 -0.909 -3.927 1.00 20.45 C ATOM 424 CG ARG A 28 7.873 -1.094 -4.171 1.00 63.11 C ATOM 425 CD ARG A 28 7.533 -0.979 -5.649 1.00 11.23 C ATOM 426 NE ARG A 28 8.104 -2.074 -6.429 1.00 14.42 N ATOM 427 CZ ARG A 28 8.130 -2.094 -7.757 1.00 1.22 C ATOM 428 NH1 ARG A 28 7.621 -1.084 -8.449 1.00 4.32 N ATOM 429 NH2 ARG A 28 8.667 -3.126 -8.395 1.00 50.33 N ATOM 0 H ARG A 28 9.427 -1.434 -1.090 1.00 3.02 H new ATOM 0 HA ARG A 28 9.947 -2.946 -3.560 1.00 54.22 H new ATOM 0 HB2 ARG A 28 9.528 0.066 -3.468 1.00 20.45 H new ATOM 0 HB3 ARG A 28 9.881 -0.903 -4.886 1.00 20.45 H new ATOM 0 HG2 ARG A 28 7.561 -2.070 -3.799 1.00 63.11 H new ATOM 0 HG3 ARG A 28 7.315 -0.345 -3.609 1.00 63.11 H new ATOM 0 HD2 ARG A 28 6.450 -0.972 -5.772 1.00 11.23 H new ATOM 0 HD3 ARG A 28 7.903 -0.029 -6.033 1.00 11.23 H new ATOM 0 HE ARG A 28 8.505 -2.866 -5.927 1.00 14.42 H new ATOM 0 HH11 ARG A 28 7.208 -0.289 -7.962 1.00 4.32 H new ATOM 0 HH12 ARG A 28 7.642 -1.102 -9.469 1.00 4.32 H new ATOM 0 HH21 ARG A 28 9.060 -3.904 -7.866 1.00 50.33 H new ATOM 0 HH22 ARG A 28 8.687 -3.141 -9.415 1.00 50.33 H new ATOM 443 N ILE A 29 12.178 -1.289 -3.771 1.00 71.41 N ATOM 444 CA ILE A 29 13.584 -0.938 -3.616 1.00 30.03 C ATOM 445 C ILE A 29 13.839 0.506 -4.033 1.00 0.30 C ATOM 446 O ILE A 29 13.855 0.826 -5.222 1.00 2.35 O ATOM 447 CB ILE A 29 14.491 -1.867 -4.443 1.00 63.52 C ATOM 448 CG1 ILE A 29 14.093 -3.329 -4.228 1.00 21.01 C ATOM 449 CG2 ILE A 29 15.951 -1.650 -4.073 1.00 32.34 C ATOM 450 CD1 ILE A 29 14.190 -3.775 -2.786 1.00 33.42 C ATOM 0 H ILE A 29 11.832 -1.232 -4.729 1.00 71.41 H new ATOM 0 HA ILE A 29 13.824 -1.057 -2.559 1.00 30.03 H new ATOM 0 HB ILE A 29 14.365 -1.627 -5.499 1.00 63.52 H new ATOM 0 HG12 ILE A 29 13.071 -3.474 -4.577 1.00 21.01 H new ATOM 0 HG13 ILE A 29 14.732 -3.965 -4.841 1.00 21.01 H new ATOM 0 HG21 ILE A 29 16.579 -2.314 -4.666 1.00 32.34 H new ATOM 0 HG22 ILE A 29 16.227 -0.615 -4.273 1.00 32.34 H new ATOM 0 HG23 ILE A 29 16.094 -1.865 -3.014 1.00 32.34 H new ATOM 0 HD11 ILE A 29 13.893 -4.821 -2.708 1.00 33.42 H new ATOM 0 HD12 ILE A 29 15.217 -3.662 -2.439 1.00 33.42 H new ATOM 0 HD13 ILE A 29 13.530 -3.164 -2.171 1.00 33.42 H new ATOM 462 N SER A 30 14.040 1.375 -3.047 1.00 33.20 N ATOM 463 CA SER A 30 14.293 2.786 -3.311 1.00 55.43 C ATOM 464 C SER A 30 15.510 3.275 -2.533 1.00 2.31 C ATOM 465 O SER A 30 15.712 2.905 -1.376 1.00 53.41 O ATOM 466 CB SER A 30 13.067 3.624 -2.941 1.00 73.23 C ATOM 467 OG SER A 30 11.876 2.865 -3.061 1.00 31.05 O ATOM 0 H SER A 30 14.032 1.126 -2.058 1.00 33.20 H new ATOM 0 HA SER A 30 14.495 2.900 -4.376 1.00 55.43 H new ATOM 0 HB2 SER A 30 13.167 3.990 -1.919 1.00 73.23 H new ATOM 0 HB3 SER A 30 13.011 4.499 -3.589 1.00 73.23 H new ATOM 0 HG SER A 30 11.778 2.554 -3.985 1.00 31.05 H new ATOM 473 N VAL A 31 16.320 4.110 -3.177 1.00 24.33 N ATOM 474 CA VAL A 31 17.518 4.651 -2.546 1.00 42.21 C ATOM 475 C VAL A 31 17.306 6.098 -2.115 1.00 42.00 C ATOM 476 O VAL A 31 17.408 7.019 -2.926 1.00 5.12 O ATOM 477 CB VAL A 31 18.731 4.582 -3.493 1.00 22.42 C ATOM 478 CG1 VAL A 31 20.025 4.788 -2.720 1.00 13.53 C ATOM 479 CG2 VAL A 31 18.751 3.254 -4.236 1.00 40.51 C ATOM 0 H VAL A 31 16.168 4.426 -4.135 1.00 24.33 H new ATOM 0 HA VAL A 31 17.717 4.038 -1.667 1.00 42.21 H new ATOM 0 HB VAL A 31 18.643 5.383 -4.227 1.00 22.42 H new ATOM 0 HG11 VAL A 31 20.871 4.736 -3.406 1.00 13.53 H new ATOM 0 HG12 VAL A 31 20.009 5.765 -2.237 1.00 13.53 H new ATOM 0 HG13 VAL A 31 20.124 4.011 -1.962 1.00 13.53 H new ATOM 0 HG21 VAL A 31 19.614 3.222 -4.901 1.00 40.51 H new ATOM 0 HG22 VAL A 31 18.815 2.436 -3.518 1.00 40.51 H new ATOM 0 HG23 VAL A 31 17.838 3.151 -4.822 1.00 40.51 H new ATOM 489 N ILE A 32 17.011 6.291 -0.834 1.00 32.41 N ATOM 490 CA ILE A 32 16.786 7.626 -0.295 1.00 30.03 C ATOM 491 C ILE A 32 18.101 8.379 -0.126 1.00 40.42 C ATOM 492 O ILE A 32 18.883 8.090 0.779 1.00 24.21 O ATOM 493 CB ILE A 32 16.062 7.570 1.063 1.00 14.23 C ATOM 494 CG1 ILE A 32 14.819 6.683 0.967 1.00 70.30 C ATOM 495 CG2 ILE A 32 15.684 8.971 1.520 1.00 4.43 C ATOM 496 CD1 ILE A 32 14.913 5.419 1.794 1.00 41.43 C ATOM 0 H ILE A 32 16.922 5.539 -0.150 1.00 32.41 H new ATOM 0 HA ILE A 32 16.157 8.154 -1.012 1.00 30.03 H new ATOM 0 HB ILE A 32 16.738 7.138 1.801 1.00 14.23 H new ATOM 0 HG12 ILE A 32 13.949 7.255 1.290 1.00 70.30 H new ATOM 0 HG13 ILE A 32 14.655 6.414 -0.076 1.00 70.30 H new ATOM 0 HG21 ILE A 32 15.173 8.915 2.481 1.00 4.43 H new ATOM 0 HG22 ILE A 32 16.585 9.576 1.623 1.00 4.43 H new ATOM 0 HG23 ILE A 32 15.023 9.428 0.784 1.00 4.43 H new ATOM 0 HD11 ILE A 32 13.997 4.839 1.678 1.00 41.43 H new ATOM 0 HD12 ILE A 32 15.763 4.826 1.457 1.00 41.43 H new ATOM 0 HD13 ILE A 32 15.046 5.680 2.844 1.00 41.43 H new ATOM 508 N VAL A 33 18.338 9.350 -1.004 1.00 34.44 N ATOM 509 CA VAL A 33 19.557 10.148 -0.951 1.00 34.43 C ATOM 510 C VAL A 33 19.266 11.564 -0.466 1.00 71.42 C ATOM 511 O VAL A 33 18.394 12.248 -1.003 1.00 5.24 O ATOM 512 CB VAL A 33 20.241 10.219 -2.329 1.00 22.34 C ATOM 513 CG1 VAL A 33 21.661 10.748 -2.193 1.00 72.31 C ATOM 514 CG2 VAL A 33 20.234 8.853 -2.998 1.00 30.43 C ATOM 0 H VAL A 33 17.701 9.602 -1.760 1.00 34.44 H new ATOM 0 HA VAL A 33 20.227 9.656 -0.246 1.00 34.43 H new ATOM 0 HB VAL A 33 19.680 10.909 -2.959 1.00 22.34 H new ATOM 0 HG11 VAL A 33 22.129 10.791 -3.177 1.00 72.31 H new ATOM 0 HG12 VAL A 33 21.637 11.747 -1.758 1.00 72.31 H new ATOM 0 HG13 VAL A 33 22.236 10.085 -1.547 1.00 72.31 H new ATOM 0 HG21 VAL A 33 20.721 8.922 -3.971 1.00 30.43 H new ATOM 0 HG22 VAL A 33 20.770 8.139 -2.373 1.00 30.43 H new ATOM 0 HG23 VAL A 33 19.205 8.518 -3.130 1.00 30.43 H new ATOM 524 N PHE A 34 20.002 11.998 0.552 1.00 71.44 N ATOM 525 CA PHE A 34 19.823 13.333 1.110 1.00 61.13 C ATOM 526 C PHE A 34 20.721 14.343 0.402 1.00 42.03 C ATOM 527 O PHE A 34 21.940 14.178 0.348 1.00 25.41 O ATOM 528 CB PHE A 34 20.127 13.327 2.609 1.00 35.24 C ATOM 529 CG PHE A 34 20.359 14.697 3.180 1.00 61.25 C ATOM 530 CD1 PHE A 34 19.579 15.770 2.779 1.00 22.34 C ATOM 531 CD2 PHE A 34 21.358 14.912 4.115 1.00 22.43 C ATOM 532 CE1 PHE A 34 19.790 17.032 3.302 1.00 23.33 C ATOM 533 CE2 PHE A 34 21.574 16.171 4.642 1.00 54.10 C ATOM 534 CZ PHE A 34 20.790 17.233 4.234 1.00 33.31 C ATOM 0 H PHE A 34 20.728 11.445 1.007 1.00 71.44 H new ATOM 0 HA PHE A 34 18.784 13.627 0.958 1.00 61.13 H new ATOM 0 HB2 PHE A 34 19.297 12.858 3.138 1.00 35.24 H new ATOM 0 HB3 PHE A 34 21.009 12.713 2.790 1.00 35.24 H new ATOM 0 HD1 PHE A 34 18.797 15.618 2.049 1.00 22.34 H new ATOM 0 HD2 PHE A 34 21.975 14.086 4.436 1.00 22.43 H new ATOM 0 HE1 PHE A 34 19.174 17.860 2.983 1.00 23.33 H new ATOM 0 HE2 PHE A 34 22.355 16.325 5.372 1.00 54.10 H new ATOM 0 HZ PHE A 34 20.959 18.218 4.643 1.00 33.31 H new ATOM 544 N THR A 35 20.110 15.391 -0.142 1.00 33.10 N ATOM 545 CA THR A 35 20.852 16.427 -0.848 1.00 51.33 C ATOM 546 C THR A 35 19.992 17.666 -1.069 1.00 13.35 C ATOM 547 O THR A 35 18.782 17.566 -1.278 1.00 22.34 O ATOM 548 CB THR A 35 21.363 15.922 -2.211 1.00 2.52 C ATOM 549 OG1 THR A 35 20.648 14.743 -2.596 1.00 51.32 O ATOM 550 CG2 THR A 35 22.853 15.621 -2.152 1.00 1.41 C ATOM 0 H THR A 35 19.102 15.544 -0.107 1.00 33.10 H new ATOM 0 HA THR A 35 21.705 16.687 -0.221 1.00 51.33 H new ATOM 0 HB THR A 35 21.195 16.705 -2.950 1.00 2.52 H new ATOM 0 HG1 THR A 35 20.978 14.429 -3.464 1.00 51.32 H new ATOM 0 HG21 THR A 35 23.191 15.266 -3.125 1.00 1.41 H new ATOM 0 HG22 THR A 35 23.397 16.528 -1.887 1.00 1.41 H new ATOM 0 HG23 THR A 35 23.040 14.853 -1.401 1.00 1.41 H new ATOM 558 N HIS A 36 20.623 18.835 -1.021 1.00 53.30 N ATOM 559 CA HIS A 36 19.914 20.095 -1.217 1.00 2.11 C ATOM 560 C HIS A 36 20.386 20.792 -2.490 1.00 22.34 C ATOM 561 O HIS A 36 21.483 20.545 -2.991 1.00 3.01 O ATOM 562 CB HIS A 36 20.121 21.014 -0.012 1.00 60.42 C ATOM 563 CG HIS A 36 21.518 20.987 0.528 1.00 14.23 C ATOM 564 ND1 HIS A 36 22.637 20.984 -0.278 1.00 15.45 N ATOM 565 CD2 HIS A 36 21.973 20.964 1.803 1.00 44.24 C ATOM 566 CE1 HIS A 36 23.720 20.959 0.478 1.00 61.13 C ATOM 567 NE2 HIS A 36 23.345 20.947 1.744 1.00 22.31 N ATOM 0 H HIS A 36 21.623 18.936 -0.848 1.00 53.30 H new ATOM 0 HA HIS A 36 18.851 19.874 -1.318 1.00 2.11 H new ATOM 0 HB2 HIS A 36 19.870 22.036 -0.297 1.00 60.42 H new ATOM 0 HB3 HIS A 36 19.429 20.725 0.779 1.00 60.42 H new ATOM 0 HD2 HIS A 36 21.370 20.960 2.699 1.00 44.24 H new ATOM 0 HE1 HIS A 36 24.739 20.950 0.121 1.00 61.13 H new ATOM 0 HE2 HIS A 36 23.973 20.928 2.548 1.00 22.31 H new ATOM 575 N PRO A 37 19.539 21.682 -3.026 1.00 41.54 N ATOM 576 CA PRO A 37 19.848 22.433 -4.247 1.00 60.54 C ATOM 577 C PRO A 37 20.950 23.464 -4.031 1.00 21.11 C ATOM 578 O PRO A 37 21.435 24.077 -4.982 1.00 40.11 O ATOM 579 CB PRO A 37 18.525 23.126 -4.582 1.00 60.21 C ATOM 580 CG PRO A 37 17.816 23.239 -3.277 1.00 11.22 C ATOM 581 CD PRO A 37 18.215 22.026 -2.482 1.00 53.52 C ATOM 0 HA PRO A 37 20.218 21.785 -5.041 1.00 60.54 H new ATOM 0 HB2 PRO A 37 18.693 24.107 -5.027 1.00 60.21 H new ATOM 0 HB3 PRO A 37 17.944 22.546 -5.299 1.00 60.21 H new ATOM 0 HG2 PRO A 37 18.097 24.155 -2.758 1.00 11.22 H new ATOM 0 HG3 PRO A 37 16.736 23.273 -3.421 1.00 11.22 H new ATOM 0 HD2 PRO A 37 18.263 22.243 -1.415 1.00 53.52 H new ATOM 0 HD3 PRO A 37 17.504 21.210 -2.610 1.00 53.52 H new ATOM 589 N ASP A 38 21.341 23.650 -2.775 1.00 44.02 N ATOM 590 CA ASP A 38 22.388 24.607 -2.434 1.00 70.42 C ATOM 591 C ASP A 38 23.583 23.901 -1.801 1.00 3.41 C ATOM 592 O ASP A 38 23.895 24.117 -0.630 1.00 33.14 O ATOM 593 CB ASP A 38 21.844 25.671 -1.480 1.00 42.54 C ATOM 594 CG ASP A 38 22.899 26.685 -1.083 1.00 12.51 C ATOM 595 OD1 ASP A 38 23.561 27.238 -1.986 1.00 50.51 O ATOM 596 OD2 ASP A 38 23.061 26.927 0.131 1.00 23.33 O ATOM 0 H ASP A 38 20.949 23.151 -1.976 1.00 44.02 H new ATOM 0 HA ASP A 38 22.719 25.090 -3.353 1.00 70.42 H new ATOM 0 HB2 ASP A 38 21.008 26.187 -1.953 1.00 42.54 H new ATOM 0 HB3 ASP A 38 21.454 25.187 -0.585 1.00 42.54 H new ATOM 601 N SER A 39 24.249 23.057 -2.583 1.00 55.30 N ATOM 602 CA SER A 39 25.407 22.316 -2.097 1.00 52.43 C ATOM 603 C SER A 39 26.696 22.872 -2.694 1.00 63.44 C ATOM 604 O SER A 39 26.880 22.874 -3.912 1.00 24.12 O ATOM 605 CB SER A 39 25.270 20.832 -2.441 1.00 71.11 C ATOM 606 OG SER A 39 26.385 20.095 -1.970 1.00 74.51 O ATOM 0 H SER A 39 24.006 22.869 -3.556 1.00 55.30 H new ATOM 0 HA SER A 39 25.451 22.427 -1.014 1.00 52.43 H new ATOM 0 HB2 SER A 39 24.355 20.436 -2.000 1.00 71.11 H new ATOM 0 HB3 SER A 39 25.181 20.712 -3.521 1.00 71.11 H new ATOM 0 HG SER A 39 27.071 20.057 -2.669 1.00 74.51 H new ATOM 612 N LYS A 40 27.587 23.342 -1.828 1.00 42.33 N ATOM 613 CA LYS A 40 28.861 23.900 -2.267 1.00 21.30 C ATOM 614 C LYS A 40 29.863 22.791 -2.573 1.00 4.42 C ATOM 615 O LYS A 40 30.463 22.763 -3.648 1.00 4.55 O ATOM 616 CB LYS A 40 29.429 24.834 -1.196 1.00 35.33 C ATOM 617 CG LYS A 40 30.564 25.712 -1.693 1.00 74.45 C ATOM 618 CD LYS A 40 31.919 25.107 -1.369 1.00 45.20 C ATOM 619 CE LYS A 40 32.809 26.097 -0.632 1.00 33.33 C ATOM 620 NZ LYS A 40 32.920 25.770 0.817 1.00 15.20 N ATOM 0 H LYS A 40 27.450 23.348 -0.817 1.00 42.33 H new ATOM 0 HA LYS A 40 28.685 24.469 -3.180 1.00 21.30 H new ATOM 0 HB2 LYS A 40 28.628 25.470 -0.819 1.00 35.33 H new ATOM 0 HB3 LYS A 40 29.784 24.237 -0.356 1.00 35.33 H new ATOM 0 HG2 LYS A 40 30.474 25.849 -2.771 1.00 74.45 H new ATOM 0 HG3 LYS A 40 30.487 26.700 -1.238 1.00 74.45 H new ATOM 0 HD2 LYS A 40 31.784 24.214 -0.759 1.00 45.20 H new ATOM 0 HD3 LYS A 40 32.408 24.792 -2.291 1.00 45.20 H new ATOM 0 HE2 LYS A 40 33.802 26.097 -1.081 1.00 33.33 H new ATOM 0 HE3 LYS A 40 32.406 27.103 -0.748 1.00 33.33 H new ATOM 0 HZ1 LYS A 40 33.534 26.467 1.284 1.00 15.20 H new ATOM 0 HZ2 LYS A 40 31.976 25.794 1.252 1.00 15.20 H new ATOM 0 HZ3 LYS A 40 33.328 24.820 0.928 1.00 15.20 H new ATOM 634 N ARG A 41 30.039 21.879 -1.622 1.00 53.42 N ATOM 635 CA ARG A 41 30.968 20.769 -1.791 1.00 22.12 C ATOM 636 C ARG A 41 30.479 19.810 -2.872 1.00 32.31 C ATOM 637 O ARG A 41 31.172 19.566 -3.860 1.00 15.51 O ATOM 638 CB ARG A 41 31.144 20.018 -0.470 1.00 2.25 C ATOM 639 CG ARG A 41 32.338 20.490 0.345 1.00 53.22 C ATOM 640 CD ARG A 41 33.261 19.336 0.700 1.00 22.43 C ATOM 641 NE ARG A 41 32.735 18.532 1.800 1.00 14.13 N ATOM 642 CZ ARG A 41 33.117 17.284 2.048 1.00 41.33 C ATOM 643 NH1 ARG A 41 34.025 16.701 1.277 1.00 33.45 N ATOM 644 NH2 ARG A 41 32.592 16.618 3.068 1.00 52.01 N ATOM 0 H ARG A 41 29.550 21.887 -0.727 1.00 53.42 H new ATOM 0 HA ARG A 41 31.930 21.177 -2.100 1.00 22.12 H new ATOM 0 HB2 ARG A 41 30.239 20.133 0.127 1.00 2.25 H new ATOM 0 HB3 ARG A 41 31.255 18.954 -0.679 1.00 2.25 H new ATOM 0 HG2 ARG A 41 32.892 21.240 -0.220 1.00 53.22 H new ATOM 0 HG3 ARG A 41 31.989 20.972 1.258 1.00 53.22 H new ATOM 0 HD2 ARG A 41 33.403 18.703 -0.176 1.00 22.43 H new ATOM 0 HD3 ARG A 41 34.241 19.727 0.973 1.00 22.43 H new ATOM 0 HE ARG A 41 32.035 18.952 2.412 1.00 14.13 H new ATOM 0 HH11 ARG A 41 34.431 17.211 0.492 1.00 33.45 H new ATOM 0 HH12 ARG A 41 34.317 15.743 1.469 1.00 33.45 H new ATOM 0 HH21 ARG A 41 31.894 17.064 3.663 1.00 52.01 H new ATOM 0 HH22 ARG A 41 32.886 15.660 3.257 1.00 52.01 H new ATOM 658 N SER A 42 29.281 19.267 -2.677 1.00 0.54 N ATOM 659 CA SER A 42 28.701 18.331 -3.632 1.00 54.53 C ATOM 660 C SER A 42 28.207 19.062 -4.877 1.00 50.42 C ATOM 661 O SER A 42 27.545 20.096 -4.783 1.00 43.54 O ATOM 662 CB SER A 42 27.546 17.562 -2.988 1.00 23.33 C ATOM 663 OG SER A 42 27.535 17.742 -1.582 1.00 63.42 O ATOM 0 H SER A 42 28.694 19.460 -1.866 1.00 0.54 H new ATOM 0 HA SER A 42 29.477 17.626 -3.929 1.00 54.53 H new ATOM 0 HB2 SER A 42 26.600 17.901 -3.409 1.00 23.33 H new ATOM 0 HB3 SER A 42 27.636 16.501 -3.221 1.00 23.33 H new ATOM 0 HG SER A 42 27.061 18.571 -1.362 1.00 63.42 H new ATOM 669 N LYS A 43 28.534 18.517 -6.044 1.00 53.31 N ATOM 670 CA LYS A 43 28.124 19.115 -7.310 1.00 20.54 C ATOM 671 C LYS A 43 28.634 18.293 -8.489 1.00 72.13 C ATOM 672 O LYS A 43 27.970 18.194 -9.521 1.00 2.32 O ATOM 673 CB LYS A 43 28.644 20.550 -7.412 1.00 1.23 C ATOM 674 CG LYS A 43 27.557 21.602 -7.276 1.00 11.11 C ATOM 675 CD LYS A 43 27.795 22.774 -8.213 1.00 53.13 C ATOM 676 CE LYS A 43 28.485 23.927 -7.501 1.00 24.44 C ATOM 677 NZ LYS A 43 29.455 24.627 -8.388 1.00 74.23 N ATOM 0 H LYS A 43 29.082 17.662 -6.140 1.00 53.31 H new ATOM 0 HA LYS A 43 27.035 19.127 -7.342 1.00 20.54 H new ATOM 0 HB2 LYS A 43 29.393 20.712 -6.637 1.00 1.23 H new ATOM 0 HB3 LYS A 43 29.145 20.679 -8.372 1.00 1.23 H new ATOM 0 HG2 LYS A 43 26.587 21.154 -7.491 1.00 11.11 H new ATOM 0 HG3 LYS A 43 27.522 21.959 -6.247 1.00 11.11 H new ATOM 0 HD2 LYS A 43 28.405 22.449 -9.056 1.00 53.13 H new ATOM 0 HD3 LYS A 43 26.843 23.114 -8.620 1.00 53.13 H new ATOM 0 HE2 LYS A 43 27.736 24.637 -7.150 1.00 24.44 H new ATOM 0 HE3 LYS A 43 29.005 23.551 -6.620 1.00 24.44 H new ATOM 0 HZ1 LYS A 43 29.904 25.406 -7.865 1.00 74.23 H new ATOM 0 HZ2 LYS A 43 30.184 23.956 -8.703 1.00 74.23 H new ATOM 0 HZ3 LYS A 43 28.955 25.009 -9.216 1.00 74.23 H new ATOM 691 N GLU A 44 29.815 17.704 -8.328 1.00 52.24 N ATOM 692 CA GLU A 44 30.412 16.891 -9.381 1.00 73.41 C ATOM 693 C GLU A 44 29.856 15.470 -9.351 1.00 62.34 C ATOM 694 O GLU A 44 29.592 14.874 -10.396 1.00 31.40 O ATOM 695 CB GLU A 44 31.934 16.858 -9.230 1.00 0.11 C ATOM 696 CG GLU A 44 32.402 16.286 -7.902 1.00 53.40 C ATOM 697 CD GLU A 44 33.669 16.947 -7.396 1.00 42.52 C ATOM 698 OE1 GLU A 44 33.595 18.115 -6.959 1.00 52.24 O ATOM 699 OE2 GLU A 44 34.735 16.298 -7.437 1.00 72.03 O ATOM 0 H GLU A 44 30.377 17.775 -7.479 1.00 52.24 H new ATOM 0 HA GLU A 44 30.160 17.342 -10.341 1.00 73.41 H new ATOM 0 HB2 GLU A 44 32.358 16.266 -10.041 1.00 0.11 H new ATOM 0 HB3 GLU A 44 32.323 17.870 -9.337 1.00 0.11 H new ATOM 0 HG2 GLU A 44 31.613 16.407 -7.160 1.00 53.40 H new ATOM 0 HG3 GLU A 44 32.574 15.215 -8.012 1.00 53.40 H new ATOM 706 N ILE A 45 29.683 14.934 -8.148 1.00 73.41 N ATOM 707 CA ILE A 45 29.159 13.584 -7.982 1.00 74.31 C ATOM 708 C ILE A 45 27.641 13.598 -7.833 1.00 60.41 C ATOM 709 O ILE A 45 26.986 12.560 -7.933 1.00 64.35 O ATOM 710 CB ILE A 45 29.777 12.886 -6.756 1.00 41.50 C ATOM 711 CG1 ILE A 45 29.452 13.666 -5.481 1.00 10.45 C ATOM 712 CG2 ILE A 45 31.282 12.747 -6.929 1.00 42.32 C ATOM 713 CD1 ILE A 45 28.106 13.317 -4.885 1.00 23.53 C ATOM 0 H ILE A 45 29.898 15.414 -7.274 1.00 73.41 H new ATOM 0 HA ILE A 45 29.429 13.029 -8.880 1.00 74.31 H new ATOM 0 HB ILE A 45 29.347 11.888 -6.669 1.00 41.50 H new ATOM 0 HG12 ILE A 45 30.229 13.475 -4.740 1.00 10.45 H new ATOM 0 HG13 ILE A 45 29.477 14.733 -5.701 1.00 10.45 H new ATOM 0 HG21 ILE A 45 31.705 12.252 -6.055 1.00 42.32 H new ATOM 0 HG22 ILE A 45 31.493 12.154 -7.819 1.00 42.32 H new ATOM 0 HG23 ILE A 45 31.729 13.735 -7.037 1.00 42.32 H new ATOM 0 HD11 ILE A 45 27.943 13.908 -3.984 1.00 23.53 H new ATOM 0 HD12 ILE A 45 27.320 13.534 -5.609 1.00 23.53 H new ATOM 0 HD13 ILE A 45 28.084 12.257 -4.633 1.00 23.53 H new ATOM 725 N LYS A 46 27.086 14.781 -7.595 1.00 4.24 N ATOM 726 CA LYS A 46 25.645 14.933 -7.435 1.00 1.12 C ATOM 727 C LYS A 46 24.907 14.478 -8.690 1.00 45.00 C ATOM 728 O LYS A 46 23.806 13.936 -8.611 1.00 15.44 O ATOM 729 CB LYS A 46 25.296 16.391 -7.126 1.00 22.33 C ATOM 730 CG LYS A 46 24.597 17.104 -8.269 1.00 54.44 C ATOM 731 CD LYS A 46 24.377 18.575 -7.958 1.00 14.24 C ATOM 732 CE LYS A 46 24.818 19.462 -9.112 1.00 75.32 C ATOM 733 NZ LYS A 46 23.923 20.641 -9.279 1.00 62.32 N ATOM 0 H LYS A 46 27.613 15.650 -7.509 1.00 4.24 H new ATOM 0 HA LYS A 46 25.329 14.306 -6.601 1.00 1.12 H new ATOM 0 HB2 LYS A 46 24.657 16.424 -6.244 1.00 22.33 H new ATOM 0 HB3 LYS A 46 26.210 16.930 -6.878 1.00 22.33 H new ATOM 0 HG2 LYS A 46 25.192 17.008 -9.177 1.00 54.44 H new ATOM 0 HG3 LYS A 46 23.638 16.625 -8.465 1.00 54.44 H new ATOM 0 HD2 LYS A 46 23.322 18.749 -7.747 1.00 14.24 H new ATOM 0 HD3 LYS A 46 24.931 18.844 -7.059 1.00 14.24 H new ATOM 0 HE2 LYS A 46 25.839 19.803 -8.939 1.00 75.32 H new ATOM 0 HE3 LYS A 46 24.828 18.880 -10.034 1.00 75.32 H new ATOM 0 HZ1 LYS A 46 24.257 21.220 -10.075 1.00 62.32 H new ATOM 0 HZ2 LYS A 46 22.953 20.317 -9.470 1.00 62.32 H new ATOM 0 HZ3 LYS A 46 23.933 21.210 -8.409 1.00 62.32 H new ATOM 747 N GLU A 47 25.524 14.701 -9.847 1.00 32.33 N ATOM 748 CA GLU A 47 24.924 14.312 -11.118 1.00 5.20 C ATOM 749 C GLU A 47 25.208 12.845 -11.427 1.00 51.03 C ATOM 750 O GLU A 47 24.487 12.210 -12.198 1.00 45.41 O ATOM 751 CB GLU A 47 25.456 15.195 -12.249 1.00 3.22 C ATOM 752 CG GLU A 47 24.466 15.393 -13.384 1.00 33.21 C ATOM 753 CD GLU A 47 23.546 16.577 -13.156 1.00 32.41 C ATOM 754 OE1 GLU A 47 24.010 17.586 -12.586 1.00 13.25 O ATOM 755 OE2 GLU A 47 22.363 16.494 -13.547 1.00 60.43 O ATOM 0 H GLU A 47 26.437 15.148 -9.930 1.00 32.33 H new ATOM 0 HA GLU A 47 23.845 14.446 -11.038 1.00 5.20 H new ATOM 0 HB2 GLU A 47 25.728 16.169 -11.841 1.00 3.22 H new ATOM 0 HB3 GLU A 47 26.368 14.750 -12.647 1.00 3.22 H new ATOM 0 HG2 GLU A 47 25.012 15.536 -14.316 1.00 33.21 H new ATOM 0 HG3 GLU A 47 23.867 14.490 -13.501 1.00 33.21 H new ATOM 762 N LYS A 48 26.263 12.312 -10.821 1.00 22.10 N ATOM 763 CA LYS A 48 26.644 10.920 -11.029 1.00 73.14 C ATOM 764 C LYS A 48 25.446 9.994 -10.841 1.00 52.45 C ATOM 765 O LYS A 48 25.142 9.172 -11.707 1.00 22.35 O ATOM 766 CB LYS A 48 27.763 10.525 -10.063 1.00 51.41 C ATOM 767 CG LYS A 48 28.883 9.737 -10.719 1.00 42.01 C ATOM 768 CD LYS A 48 30.249 10.239 -10.281 1.00 51.14 C ATOM 769 CE LYS A 48 31.368 9.392 -10.868 1.00 2.43 C ATOM 770 NZ LYS A 48 32.594 9.433 -10.024 1.00 24.44 N ATOM 0 H LYS A 48 26.870 12.824 -10.181 1.00 22.10 H new ATOM 0 HA LYS A 48 27.004 10.818 -12.053 1.00 73.14 H new ATOM 0 HB2 LYS A 48 28.179 11.427 -9.614 1.00 51.41 H new ATOM 0 HB3 LYS A 48 27.339 9.932 -9.252 1.00 51.41 H new ATOM 0 HG2 LYS A 48 28.784 8.682 -10.465 1.00 42.01 H new ATOM 0 HG3 LYS A 48 28.797 9.814 -11.803 1.00 42.01 H new ATOM 0 HD2 LYS A 48 30.374 11.276 -10.593 1.00 51.14 H new ATOM 0 HD3 LYS A 48 30.312 10.224 -9.193 1.00 51.14 H new ATOM 0 HE2 LYS A 48 31.029 8.361 -10.967 1.00 2.43 H new ATOM 0 HE3 LYS A 48 31.605 9.747 -11.871 1.00 2.43 H new ATOM 0 HZ1 LYS A 48 33.333 8.844 -10.457 1.00 24.44 H new ATOM 0 HZ2 LYS A 48 32.932 10.414 -9.950 1.00 24.44 H new ATOM 0 HZ3 LYS A 48 32.374 9.070 -9.075 1.00 24.44 H new ATOM 784 N LEU A 49 24.768 10.135 -9.708 1.00 32.22 N ATOM 785 CA LEU A 49 23.601 9.312 -9.407 1.00 42.11 C ATOM 786 C LEU A 49 22.556 9.424 -10.513 1.00 3.24 C ATOM 787 O LEU A 49 21.807 8.482 -10.772 1.00 44.01 O ATOM 788 CB LEU A 49 22.990 9.729 -8.068 1.00 23.30 C ATOM 789 CG LEU A 49 21.893 8.817 -7.518 1.00 55.15 C ATOM 790 CD1 LEU A 49 22.471 7.472 -7.108 1.00 4.01 C ATOM 791 CD2 LEU A 49 21.189 9.478 -6.342 1.00 42.52 C ATOM 0 H LEU A 49 25.006 10.811 -8.982 1.00 32.22 H new ATOM 0 HA LEU A 49 23.926 8.274 -9.343 1.00 42.11 H new ATOM 0 HB2 LEU A 49 23.789 9.789 -7.329 1.00 23.30 H new ATOM 0 HB3 LEU A 49 22.580 10.733 -8.176 1.00 23.30 H new ATOM 0 HG LEU A 49 21.160 8.648 -8.307 1.00 55.15 H new ATOM 0 HD11 LEU A 49 21.675 6.837 -6.719 1.00 4.01 H new ATOM 0 HD12 LEU A 49 22.927 6.993 -7.974 1.00 4.01 H new ATOM 0 HD13 LEU A 49 23.226 7.621 -6.336 1.00 4.01 H new ATOM 0 HD21 LEU A 49 20.411 8.814 -5.964 1.00 42.52 H new ATOM 0 HD22 LEU A 49 21.912 9.678 -5.551 1.00 42.52 H new ATOM 0 HD23 LEU A 49 20.739 10.416 -6.668 1.00 42.52 H new ATOM 803 N LYS A 50 22.512 10.582 -11.163 1.00 5.01 N ATOM 804 CA LYS A 50 21.562 10.818 -12.243 1.00 63.35 C ATOM 805 C LYS A 50 21.865 9.920 -13.439 1.00 53.22 C ATOM 806 O LYS A 50 20.961 9.325 -14.026 1.00 31.50 O ATOM 807 CB LYS A 50 21.600 12.286 -12.672 1.00 41.32 C ATOM 808 CG LYS A 50 20.227 12.930 -12.760 1.00 21.13 C ATOM 809 CD LYS A 50 19.860 13.639 -11.467 1.00 3.02 C ATOM 810 CE LYS A 50 19.905 15.151 -11.628 1.00 63.22 C ATOM 811 NZ LYS A 50 18.540 15.743 -11.685 1.00 3.41 N ATOM 0 H LYS A 50 23.124 11.372 -10.960 1.00 5.01 H new ATOM 0 HA LYS A 50 20.564 10.580 -11.875 1.00 63.35 H new ATOM 0 HB2 LYS A 50 22.210 12.847 -11.964 1.00 41.32 H new ATOM 0 HB3 LYS A 50 22.089 12.359 -13.643 1.00 41.32 H new ATOM 0 HG2 LYS A 50 20.211 13.643 -13.584 1.00 21.13 H new ATOM 0 HG3 LYS A 50 19.480 12.168 -12.983 1.00 21.13 H new ATOM 0 HD2 LYS A 50 18.861 13.335 -11.155 1.00 3.02 H new ATOM 0 HD3 LYS A 50 20.547 13.336 -10.677 1.00 3.02 H new ATOM 0 HE2 LYS A 50 20.456 15.589 -10.796 1.00 63.22 H new ATOM 0 HE3 LYS A 50 20.449 15.403 -12.538 1.00 63.22 H new ATOM 0 HZ1 LYS A 50 18.613 16.775 -11.795 1.00 3.41 H new ATOM 0 HZ2 LYS A 50 18.022 15.344 -12.494 1.00 3.41 H new ATOM 0 HZ3 LYS A 50 18.030 15.524 -10.806 1.00 3.41 H new ATOM 825 N LYS A 51 23.141 9.826 -13.795 1.00 4.40 N ATOM 826 CA LYS A 51 23.564 8.999 -14.919 1.00 3.41 C ATOM 827 C LYS A 51 23.337 7.521 -14.622 1.00 61.40 C ATOM 828 O LYS A 51 23.006 6.741 -15.516 1.00 51.14 O ATOM 829 CB LYS A 51 25.042 9.246 -15.233 1.00 14.31 C ATOM 830 CG LYS A 51 25.286 10.492 -16.067 1.00 2.25 C ATOM 831 CD LYS A 51 26.746 10.913 -16.025 1.00 14.42 C ATOM 832 CE LYS A 51 26.920 12.361 -16.457 1.00 44.21 C ATOM 833 NZ LYS A 51 28.337 12.807 -16.344 1.00 70.52 N ATOM 0 H LYS A 51 23.902 10.313 -13.321 1.00 4.40 H new ATOM 0 HA LYS A 51 22.964 9.274 -15.786 1.00 3.41 H new ATOM 0 HB2 LYS A 51 25.594 9.331 -14.297 1.00 14.31 H new ATOM 0 HB3 LYS A 51 25.442 8.381 -15.762 1.00 14.31 H new ATOM 0 HG2 LYS A 51 24.990 10.304 -17.099 1.00 2.25 H new ATOM 0 HG3 LYS A 51 24.661 11.306 -15.699 1.00 2.25 H new ATOM 0 HD2 LYS A 51 27.134 10.784 -15.015 1.00 14.42 H new ATOM 0 HD3 LYS A 51 27.332 10.265 -16.677 1.00 14.42 H new ATOM 0 HE2 LYS A 51 26.584 12.475 -17.488 1.00 44.21 H new ATOM 0 HE3 LYS A 51 26.287 13.002 -15.843 1.00 44.21 H new ATOM 0 HZ1 LYS A 51 28.414 13.799 -16.647 1.00 70.52 H new ATOM 0 HZ2 LYS A 51 28.650 12.722 -15.356 1.00 70.52 H new ATOM 0 HZ3 LYS A 51 28.938 12.212 -16.950 1.00 70.52 H new ATOM 847 N LEU A 52 23.515 7.141 -13.362 1.00 24.24 N ATOM 848 CA LEU A 52 23.328 5.755 -12.946 1.00 62.14 C ATOM 849 C LEU A 52 21.942 5.252 -13.337 1.00 62.11 C ATOM 850 O LEU A 52 21.734 4.052 -13.517 1.00 44.54 O ATOM 851 CB LEU A 52 23.523 5.624 -11.435 1.00 24.11 C ATOM 852 CG LEU A 52 23.360 4.218 -10.856 1.00 63.14 C ATOM 853 CD1 LEU A 52 24.420 3.950 -9.799 1.00 35.25 C ATOM 854 CD2 LEU A 52 21.966 4.039 -10.275 1.00 34.04 C ATOM 0 H LEU A 52 23.789 7.773 -12.610 1.00 24.24 H new ATOM 0 HA LEU A 52 24.073 5.145 -13.456 1.00 62.14 H new ATOM 0 HB2 LEU A 52 24.521 5.985 -11.185 1.00 24.11 H new ATOM 0 HB3 LEU A 52 22.812 6.284 -10.939 1.00 24.11 H new ATOM 0 HG LEU A 52 23.490 3.496 -11.662 1.00 63.14 H new ATOM 0 HD11 LEU A 52 24.288 2.945 -9.398 1.00 35.25 H new ATOM 0 HD12 LEU A 52 25.410 4.035 -10.247 1.00 35.25 H new ATOM 0 HD13 LEU A 52 24.322 4.678 -8.993 1.00 35.25 H new ATOM 0 HD21 LEU A 52 21.868 3.033 -9.868 1.00 34.04 H new ATOM 0 HD22 LEU A 52 21.806 4.769 -9.481 1.00 34.04 H new ATOM 0 HD23 LEU A 52 21.223 4.187 -11.059 1.00 34.04 H new ATOM 866 N ALA A 53 20.998 6.178 -13.468 1.00 74.41 N ATOM 867 CA ALA A 53 19.633 5.829 -13.842 1.00 34.42 C ATOM 868 C ALA A 53 19.611 4.973 -15.104 1.00 54.41 C ATOM 869 O ALA A 53 18.692 4.182 -15.312 1.00 30.54 O ATOM 870 CB ALA A 53 18.802 7.088 -14.040 1.00 74.44 C ATOM 0 H ALA A 53 21.153 7.175 -13.321 1.00 74.41 H new ATOM 0 HA ALA A 53 19.198 5.244 -13.031 1.00 34.42 H new ATOM 0 HB1 ALA A 53 17.785 6.813 -14.319 1.00 74.44 H new ATOM 0 HB2 ALA A 53 18.782 7.660 -13.112 1.00 74.44 H new ATOM 0 HB3 ALA A 53 19.243 7.695 -14.831 1.00 74.44 H new ATOM 876 N GLU A 54 20.628 5.140 -15.944 1.00 34.41 N ATOM 877 CA GLU A 54 20.723 4.383 -17.187 1.00 34.12 C ATOM 878 C GLU A 54 21.231 2.968 -16.925 1.00 13.02 C ATOM 879 O GLU A 54 20.777 2.010 -17.549 1.00 33.41 O ATOM 880 CB GLU A 54 21.650 5.095 -18.174 1.00 20.02 C ATOM 881 CG GLU A 54 21.785 4.379 -19.507 1.00 24.31 C ATOM 882 CD GLU A 54 22.989 3.458 -19.555 1.00 30.42 C ATOM 883 OE1 GLU A 54 22.895 2.393 -20.201 1.00 42.12 O ATOM 884 OE2 GLU A 54 24.024 3.801 -18.946 1.00 71.42 O ATOM 0 H GLU A 54 21.397 5.792 -15.787 1.00 34.41 H new ATOM 0 HA GLU A 54 19.725 4.318 -17.620 1.00 34.12 H new ATOM 0 HB2 GLU A 54 21.275 6.103 -18.349 1.00 20.02 H new ATOM 0 HB3 GLU A 54 22.638 5.196 -17.724 1.00 20.02 H new ATOM 0 HG2 GLU A 54 20.881 3.800 -19.697 1.00 24.31 H new ATOM 0 HG3 GLU A 54 21.865 5.117 -20.305 1.00 24.31 H new ATOM 891 N GLU A 55 22.176 2.847 -15.998 1.00 33.03 N ATOM 892 CA GLU A 55 22.746 1.550 -15.654 1.00 64.24 C ATOM 893 C GLU A 55 21.673 0.609 -15.114 1.00 3.24 C ATOM 894 O GLU A 55 21.741 -0.605 -15.307 1.00 3.21 O ATOM 895 CB GLU A 55 23.862 1.716 -14.621 1.00 3.12 C ATOM 896 CG GLU A 55 23.989 0.540 -13.667 1.00 61.24 C ATOM 897 CD GLU A 55 25.199 0.652 -12.761 1.00 24.53 C ATOM 898 OE1 GLU A 55 26.235 1.179 -13.218 1.00 24.54 O ATOM 899 OE2 GLU A 55 25.111 0.212 -11.595 1.00 50.13 O ATOM 0 H GLU A 55 22.563 3.631 -15.472 1.00 33.03 H new ATOM 0 HA GLU A 55 23.163 1.114 -16.562 1.00 64.24 H new ATOM 0 HB2 GLU A 55 24.810 1.855 -15.142 1.00 3.12 H new ATOM 0 HB3 GLU A 55 23.680 2.623 -14.044 1.00 3.12 H new ATOM 0 HG2 GLU A 55 23.088 0.473 -13.057 1.00 61.24 H new ATOM 0 HG3 GLU A 55 24.054 -0.384 -14.242 1.00 61.24 H new ATOM 906 N PHE A 56 20.683 1.179 -14.434 1.00 62.15 N ATOM 907 CA PHE A 56 19.596 0.392 -13.864 1.00 10.42 C ATOM 908 C PHE A 56 18.368 1.263 -13.612 1.00 45.33 C ATOM 909 O PHE A 56 18.071 1.650 -12.482 1.00 22.22 O ATOM 910 CB PHE A 56 20.045 -0.265 -12.557 1.00 61.22 C ATOM 911 CG PHE A 56 19.173 -1.412 -12.133 1.00 23.32 C ATOM 912 CD1 PHE A 56 18.870 -2.434 -13.018 1.00 64.11 C ATOM 913 CD2 PHE A 56 18.656 -1.468 -10.849 1.00 21.45 C ATOM 914 CE1 PHE A 56 18.069 -3.491 -12.631 1.00 32.33 C ATOM 915 CE2 PHE A 56 17.854 -2.523 -10.455 1.00 63.24 C ATOM 916 CZ PHE A 56 17.559 -3.535 -11.348 1.00 23.32 C ATOM 0 H PHE A 56 20.611 2.182 -14.265 1.00 62.15 H new ATOM 0 HA PHE A 56 19.329 -0.385 -14.581 1.00 10.42 H new ATOM 0 HB2 PHE A 56 21.069 -0.620 -12.671 1.00 61.22 H new ATOM 0 HB3 PHE A 56 20.054 0.486 -11.767 1.00 61.22 H new ATOM 0 HD1 PHE A 56 19.265 -2.404 -14.023 1.00 64.11 H new ATOM 0 HD2 PHE A 56 18.882 -0.678 -10.148 1.00 21.45 H new ATOM 0 HE1 PHE A 56 17.842 -4.282 -13.331 1.00 32.33 H new ATOM 0 HE2 PHE A 56 17.459 -2.556 -9.450 1.00 63.24 H new ATOM 0 HZ PHE A 56 16.931 -4.359 -11.044 1.00 23.32 H new ATOM 926 N PRO A 57 17.638 1.581 -14.691 1.00 72.34 N ATOM 927 CA PRO A 57 16.431 2.409 -14.614 1.00 51.24 C ATOM 928 C PRO A 57 15.277 1.690 -13.923 1.00 43.34 C ATOM 929 O PRO A 57 14.239 2.289 -13.643 1.00 1.44 O ATOM 930 CB PRO A 57 16.091 2.678 -16.082 1.00 50.05 C ATOM 931 CG PRO A 57 16.690 1.534 -16.826 1.00 11.14 C ATOM 932 CD PRO A 57 17.933 1.155 -16.070 1.00 22.23 C ATOM 0 HA PRO A 57 16.594 3.313 -14.027 1.00 51.24 H new ATOM 0 HB2 PRO A 57 15.013 2.729 -16.236 1.00 50.05 H new ATOM 0 HB3 PRO A 57 16.506 3.629 -16.417 1.00 50.05 H new ATOM 0 HG2 PRO A 57 15.995 0.696 -16.879 1.00 11.14 H new ATOM 0 HG3 PRO A 57 16.928 1.817 -17.851 1.00 11.14 H new ATOM 0 HD2 PRO A 57 18.127 0.084 -16.127 1.00 22.23 H new ATOM 0 HD3 PRO A 57 18.814 1.660 -16.467 1.00 22.23 H new ATOM 940 N ASP A 58 15.466 0.404 -13.652 1.00 21.33 N ATOM 941 CA ASP A 58 14.441 -0.397 -12.992 1.00 3.22 C ATOM 942 C ASP A 58 14.250 0.050 -11.546 1.00 0.22 C ATOM 943 O ASP A 58 13.128 0.091 -11.041 1.00 21.23 O ATOM 944 CB ASP A 58 14.815 -1.879 -13.035 1.00 63.22 C ATOM 945 CG ASP A 58 14.288 -2.645 -11.837 1.00 40.45 C ATOM 946 OD1 ASP A 58 14.902 -2.549 -10.754 1.00 43.42 O ATOM 947 OD2 ASP A 58 13.261 -3.339 -11.983 1.00 55.11 O ATOM 0 H ASP A 58 16.319 -0.107 -13.879 1.00 21.33 H new ATOM 0 HA ASP A 58 13.502 -0.252 -13.526 1.00 3.22 H new ATOM 0 HB2 ASP A 58 14.421 -2.324 -13.949 1.00 63.22 H new ATOM 0 HB3 ASP A 58 15.900 -1.976 -13.076 1.00 63.22 H new ATOM 952 N VAL A 59 15.353 0.384 -10.884 1.00 45.10 N ATOM 953 CA VAL A 59 15.308 0.828 -9.496 1.00 53.10 C ATOM 954 C VAL A 59 14.777 2.253 -9.392 1.00 53.43 C ATOM 955 O VAL A 59 14.859 3.029 -10.345 1.00 64.52 O ATOM 956 CB VAL A 59 16.699 0.761 -8.839 1.00 42.21 C ATOM 957 CG1 VAL A 59 17.615 1.829 -9.418 1.00 12.23 C ATOM 958 CG2 VAL A 59 16.583 0.908 -7.329 1.00 72.25 C ATOM 0 H VAL A 59 16.290 0.355 -11.287 1.00 45.10 H new ATOM 0 HA VAL A 59 14.634 0.152 -8.970 1.00 53.10 H new ATOM 0 HB VAL A 59 17.136 -0.214 -9.053 1.00 42.21 H new ATOM 0 HG11 VAL A 59 18.593 1.766 -8.942 1.00 12.23 H new ATOM 0 HG12 VAL A 59 17.723 1.673 -10.491 1.00 12.23 H new ATOM 0 HG13 VAL A 59 17.185 2.814 -9.236 1.00 12.23 H new ATOM 0 HG21 VAL A 59 17.576 0.858 -6.881 1.00 72.25 H new ATOM 0 HG22 VAL A 59 16.125 1.868 -7.091 1.00 72.25 H new ATOM 0 HG23 VAL A 59 15.965 0.103 -6.931 1.00 72.25 H new ATOM 968 N ASP A 60 14.232 2.593 -8.229 1.00 71.51 N ATOM 969 CA ASP A 60 13.688 3.926 -7.999 1.00 43.03 C ATOM 970 C ASP A 60 14.715 4.821 -7.312 1.00 63.43 C ATOM 971 O ASP A 60 15.024 4.637 -6.134 1.00 71.45 O ATOM 972 CB ASP A 60 12.418 3.843 -7.152 1.00 32.02 C ATOM 973 CG ASP A 60 11.833 2.444 -7.120 1.00 5.40 C ATOM 974 OD1 ASP A 60 11.579 1.883 -8.206 1.00 73.51 O ATOM 975 OD2 ASP A 60 11.632 1.911 -6.009 1.00 52.31 O ATOM 0 H ASP A 60 14.155 1.963 -7.430 1.00 71.51 H new ATOM 0 HA ASP A 60 13.442 4.363 -8.967 1.00 43.03 H new ATOM 0 HB2 ASP A 60 12.642 4.163 -6.134 1.00 32.02 H new ATOM 0 HB3 ASP A 60 11.675 4.535 -7.548 1.00 32.02 H new ATOM 980 N ILE A 61 15.241 5.788 -8.056 1.00 24.11 N ATOM 981 CA ILE A 61 16.233 6.710 -7.518 1.00 44.51 C ATOM 982 C ILE A 61 15.693 8.136 -7.475 1.00 75.41 C ATOM 983 O ILE A 61 15.635 8.820 -8.497 1.00 4.11 O ATOM 984 CB ILE A 61 17.530 6.690 -8.349 1.00 51.31 C ATOM 985 CG1 ILE A 61 17.859 5.262 -8.787 1.00 74.40 C ATOM 986 CG2 ILE A 61 18.681 7.283 -7.550 1.00 13.12 C ATOM 987 CD1 ILE A 61 17.459 4.960 -10.214 1.00 53.04 C ATOM 0 H ILE A 61 14.997 5.953 -9.032 1.00 24.11 H new ATOM 0 HA ILE A 61 16.455 6.377 -6.504 1.00 44.51 H new ATOM 0 HB ILE A 61 17.381 7.299 -9.241 1.00 51.31 H new ATOM 0 HG12 ILE A 61 18.930 5.094 -8.675 1.00 74.40 H new ATOM 0 HG13 ILE A 61 17.355 4.561 -8.121 1.00 74.40 H new ATOM 0 HG21 ILE A 61 19.590 7.262 -8.151 1.00 13.12 H new ATOM 0 HG22 ILE A 61 18.446 8.314 -7.284 1.00 13.12 H new ATOM 0 HG23 ILE A 61 18.832 6.699 -6.642 1.00 13.12 H new ATOM 0 HD11 ILE A 61 17.722 3.930 -10.456 1.00 53.04 H new ATOM 0 HD12 ILE A 61 16.383 5.095 -10.327 1.00 53.04 H new ATOM 0 HD13 ILE A 61 17.983 5.636 -10.890 1.00 53.04 H new ATOM 999 N TYR A 62 15.298 8.577 -6.286 1.00 3.11 N ATOM 1000 CA TYR A 62 14.761 9.921 -6.109 1.00 43.12 C ATOM 1001 C TYR A 62 15.548 10.687 -5.049 1.00 74.15 C ATOM 1002 O TYR A 62 16.026 10.107 -4.074 1.00 64.52 O ATOM 1003 CB TYR A 62 13.285 9.855 -5.716 1.00 55.31 C ATOM 1004 CG TYR A 62 13.051 9.305 -4.327 1.00 65.23 C ATOM 1005 CD1 TYR A 62 13.006 10.148 -3.223 1.00 61.55 C ATOM 1006 CD2 TYR A 62 12.878 7.942 -4.119 1.00 12.23 C ATOM 1007 CE1 TYR A 62 12.794 9.649 -1.953 1.00 1.15 C ATOM 1008 CE2 TYR A 62 12.664 7.435 -2.852 1.00 12.24 C ATOM 1009 CZ TYR A 62 12.623 8.292 -1.772 1.00 1.51 C ATOM 1010 OH TYR A 62 12.412 7.791 -0.508 1.00 14.11 O ATOM 0 H TYR A 62 15.340 8.023 -5.430 1.00 3.11 H new ATOM 0 HA TYR A 62 14.854 10.450 -7.057 1.00 43.12 H new ATOM 0 HB2 TYR A 62 12.856 10.855 -5.778 1.00 55.31 H new ATOM 0 HB3 TYR A 62 12.753 9.235 -6.437 1.00 55.31 H new ATOM 0 HD1 TYR A 62 13.139 11.211 -3.361 1.00 61.55 H new ATOM 0 HD2 TYR A 62 12.911 7.268 -4.962 1.00 12.23 H new ATOM 0 HE1 TYR A 62 12.762 10.318 -1.106 1.00 1.15 H new ATOM 0 HE2 TYR A 62 12.529 6.373 -2.708 1.00 12.24 H new ATOM 0 HH TYR A 62 11.598 8.186 -0.131 1.00 14.11 H new ATOM 1020 N LEU A 63 15.676 11.994 -5.248 1.00 1.15 N ATOM 1021 CA LEU A 63 16.403 12.842 -4.309 1.00 44.25 C ATOM 1022 C LEU A 63 15.457 13.456 -3.283 1.00 35.40 C ATOM 1023 O LEU A 63 14.279 13.680 -3.565 1.00 22.43 O ATOM 1024 CB LEU A 63 17.145 13.949 -5.061 1.00 60.24 C ATOM 1025 CG LEU A 63 18.002 13.498 -6.245 1.00 54.32 C ATOM 1026 CD1 LEU A 63 18.725 14.685 -6.863 1.00 23.24 C ATOM 1027 CD2 LEU A 63 18.996 12.433 -5.809 1.00 25.34 C ATOM 0 H LEU A 63 15.287 12.490 -6.050 1.00 1.15 H new ATOM 0 HA LEU A 63 17.126 12.220 -3.782 1.00 44.25 H new ATOM 0 HB2 LEU A 63 16.412 14.670 -5.423 1.00 60.24 H new ATOM 0 HB3 LEU A 63 17.786 14.475 -4.353 1.00 60.24 H new ATOM 0 HG LEU A 63 17.346 13.065 -7.000 1.00 54.32 H new ATOM 0 HD11 LEU A 63 19.330 14.345 -7.704 1.00 23.24 H new ATOM 0 HD12 LEU A 63 17.994 15.414 -7.213 1.00 23.24 H new ATOM 0 HD13 LEU A 63 19.370 15.148 -6.116 1.00 23.24 H new ATOM 0 HD21 LEU A 63 19.597 12.124 -6.664 1.00 25.34 H new ATOM 0 HD22 LEU A 63 19.648 12.839 -5.035 1.00 25.34 H new ATOM 0 HD23 LEU A 63 18.457 11.572 -5.415 1.00 25.34 H new ATOM 1039 N VAL A 64 15.979 13.727 -2.091 1.00 42.23 N ATOM 1040 CA VAL A 64 15.182 14.318 -1.023 1.00 53.24 C ATOM 1041 C VAL A 64 15.799 15.623 -0.534 1.00 4.21 C ATOM 1042 O VAL A 64 17.018 15.732 -0.396 1.00 31.35 O ATOM 1043 CB VAL A 64 15.036 13.353 0.168 1.00 2.12 C ATOM 1044 CG1 VAL A 64 14.058 13.911 1.191 1.00 72.33 C ATOM 1045 CG2 VAL A 64 14.594 11.979 -0.311 1.00 21.32 C ATOM 0 H VAL A 64 16.951 13.546 -1.841 1.00 42.23 H new ATOM 0 HA VAL A 64 14.195 14.521 -1.440 1.00 53.24 H new ATOM 0 HB VAL A 64 16.008 13.249 0.650 1.00 2.12 H new ATOM 0 HG11 VAL A 64 13.968 13.215 2.025 1.00 72.33 H new ATOM 0 HG12 VAL A 64 14.422 14.871 1.557 1.00 72.33 H new ATOM 0 HG13 VAL A 64 13.082 14.047 0.725 1.00 72.33 H new ATOM 0 HG21 VAL A 64 14.496 11.310 0.544 1.00 21.32 H new ATOM 0 HG22 VAL A 64 13.633 12.062 -0.819 1.00 21.32 H new ATOM 0 HG23 VAL A 64 15.336 11.579 -1.002 1.00 21.32 H new ATOM 1055 N ASP A 65 14.951 16.611 -0.273 1.00 11.40 N ATOM 1056 CA ASP A 65 15.413 17.910 0.203 1.00 11.12 C ATOM 1057 C ASP A 65 14.976 18.147 1.645 1.00 21.15 C ATOM 1058 O ASP A 65 13.788 18.089 1.964 1.00 53.33 O ATOM 1059 CB ASP A 65 14.877 19.026 -0.695 1.00 3.42 C ATOM 1060 CG ASP A 65 13.542 18.675 -1.321 1.00 12.53 C ATOM 1061 OD1 ASP A 65 12.639 18.228 -0.582 1.00 42.40 O ATOM 1062 OD2 ASP A 65 13.399 18.849 -2.549 1.00 31.41 O ATOM 0 H ASP A 65 13.940 16.538 -0.383 1.00 11.40 H new ATOM 0 HA ASP A 65 16.502 17.916 0.167 1.00 11.12 H new ATOM 0 HB2 ASP A 65 14.772 19.940 -0.110 1.00 3.42 H new ATOM 0 HB3 ASP A 65 15.601 19.234 -1.483 1.00 3.42 H new ATOM 1067 N THR A 66 15.945 18.413 2.516 1.00 21.20 N ATOM 1068 CA THR A 66 15.661 18.656 3.925 1.00 65.03 C ATOM 1069 C THR A 66 14.669 19.800 4.096 1.00 3.52 C ATOM 1070 O THR A 66 14.013 19.916 5.131 1.00 31.31 O ATOM 1071 CB THR A 66 16.947 18.984 4.708 1.00 34.00 C ATOM 1072 OG1 THR A 66 17.916 19.573 3.834 1.00 1.02 O ATOM 1073 CG2 THR A 66 17.526 17.730 5.346 1.00 45.53 C ATOM 0 H THR A 66 16.933 18.466 2.270 1.00 21.20 H new ATOM 0 HA THR A 66 15.226 17.739 4.323 1.00 65.03 H new ATOM 0 HB THR A 66 16.695 19.691 5.498 1.00 34.00 H new ATOM 0 HG1 THR A 66 18.730 19.780 4.340 1.00 1.02 H new ATOM 0 HG21 THR A 66 18.433 17.986 5.893 1.00 45.53 H new ATOM 0 HG22 THR A 66 16.796 17.301 6.033 1.00 45.53 H new ATOM 0 HG23 THR A 66 17.764 17.003 4.569 1.00 45.53 H new ATOM 1081 N SER A 67 14.564 20.645 3.075 1.00 64.41 N ATOM 1082 CA SER A 67 13.654 21.783 3.114 1.00 34.23 C ATOM 1083 C SER A 67 12.250 21.342 3.519 1.00 62.33 C ATOM 1084 O SER A 67 11.489 22.111 4.107 1.00 44.11 O ATOM 1085 CB SER A 67 13.610 22.475 1.751 1.00 52.41 C ATOM 1086 OG SER A 67 13.483 23.879 1.896 1.00 55.31 O ATOM 0 H SER A 67 15.099 20.562 2.210 1.00 64.41 H new ATOM 0 HA SER A 67 14.024 22.487 3.859 1.00 34.23 H new ATOM 0 HB2 SER A 67 14.518 22.244 1.193 1.00 52.41 H new ATOM 0 HB3 SER A 67 12.772 22.089 1.170 1.00 52.41 H new ATOM 0 HG SER A 67 13.459 24.298 1.011 1.00 55.31 H new ATOM 1092 N THR A 68 11.913 20.096 3.199 1.00 51.22 N ATOM 1093 CA THR A 68 10.601 19.551 3.527 1.00 45.34 C ATOM 1094 C THR A 68 10.684 18.595 4.711 1.00 71.34 C ATOM 1095 O THR A 68 9.724 18.442 5.465 1.00 62.32 O ATOM 1096 CB THR A 68 9.984 18.811 2.325 1.00 3.00 C ATOM 1097 OG1 THR A 68 10.982 18.018 1.673 1.00 24.32 O ATOM 1098 CG2 THR A 68 9.384 19.796 1.333 1.00 62.21 C ATOM 0 H THR A 68 12.530 19.446 2.713 1.00 51.22 H new ATOM 0 HA THR A 68 9.964 20.395 3.790 1.00 45.34 H new ATOM 0 HB THR A 68 9.190 18.163 2.695 1.00 3.00 H new ATOM 0 HG1 THR A 68 11.292 18.480 0.866 1.00 24.32 H new ATOM 0 HG21 THR A 68 8.954 19.250 0.493 1.00 62.21 H new ATOM 0 HG22 THR A 68 8.604 20.378 1.824 1.00 62.21 H new ATOM 0 HG23 THR A 68 10.163 20.467 0.970 1.00 62.21 H new ATOM 1106 N ASN A 69 11.837 17.953 4.868 1.00 3.30 N ATOM 1107 CA ASN A 69 12.045 17.011 5.962 1.00 74.24 C ATOM 1108 C ASN A 69 13.308 17.355 6.744 1.00 10.44 C ATOM 1109 O ASN A 69 14.276 16.595 6.776 1.00 73.14 O ATOM 1110 CB ASN A 69 12.140 15.583 5.421 1.00 70.24 C ATOM 1111 CG ASN A 69 13.289 15.409 4.446 1.00 11.21 C ATOM 1112 OD1 ASN A 69 13.273 15.960 3.345 1.00 15.34 O ATOM 1113 ND2 ASN A 69 14.294 14.640 4.848 1.00 71.32 N ATOM 0 H ASN A 69 12.642 18.068 4.252 1.00 3.30 H new ATOM 0 HA ASN A 69 11.192 17.082 6.636 1.00 74.24 H new ATOM 0 HB2 ASN A 69 12.265 14.890 6.253 1.00 70.24 H new ATOM 0 HB3 ASN A 69 11.205 15.322 4.926 1.00 70.24 H new ATOM 0 HD21 ASN A 69 15.095 14.486 4.236 1.00 71.32 H new ATOM 0 HD22 ASN A 69 14.265 14.203 5.769 1.00 71.32 H new ATOM 1120 N PRO A 70 13.300 18.529 7.393 1.00 3.41 N ATOM 1121 CA PRO A 70 14.437 19.001 8.189 1.00 2.41 C ATOM 1122 C PRO A 70 14.631 18.187 9.464 1.00 75.14 C ATOM 1123 O PRO A 70 15.748 17.791 9.794 1.00 73.33 O ATOM 1124 CB PRO A 70 14.057 20.445 8.529 1.00 22.33 C ATOM 1125 CG PRO A 70 12.569 20.468 8.470 1.00 12.44 C ATOM 1126 CD PRO A 70 12.181 19.486 7.400 1.00 50.21 C ATOM 0 HA PRO A 70 15.379 18.909 7.648 1.00 2.41 H new ATOM 0 HB2 PRO A 70 14.419 20.727 9.518 1.00 22.33 H new ATOM 0 HB3 PRO A 70 14.492 21.147 7.818 1.00 22.33 H new ATOM 0 HG2 PRO A 70 12.136 20.189 9.431 1.00 12.44 H new ATOM 0 HG3 PRO A 70 12.203 21.467 8.234 1.00 12.44 H new ATOM 0 HD2 PRO A 70 11.235 18.996 7.629 1.00 50.21 H new ATOM 0 HD3 PRO A 70 12.062 19.973 6.432 1.00 50.21 H new ATOM 1134 N GLU A 71 13.535 17.941 10.175 1.00 31.21 N ATOM 1135 CA GLU A 71 13.586 17.173 11.414 1.00 52.31 C ATOM 1136 C GLU A 71 14.237 15.813 11.185 1.00 65.44 C ATOM 1137 O GLU A 71 14.926 15.287 12.059 1.00 75.10 O ATOM 1138 CB GLU A 71 12.178 16.987 11.983 1.00 54.12 C ATOM 1139 CG GLU A 71 11.686 18.176 12.792 1.00 71.34 C ATOM 1140 CD GLU A 71 10.481 18.850 12.164 1.00 3.03 C ATOM 1141 OE1 GLU A 71 10.618 20.007 11.714 1.00 74.24 O ATOM 1142 OE2 GLU A 71 9.403 18.222 12.124 1.00 31.12 O ATOM 0 H GLU A 71 12.602 18.262 9.915 1.00 31.21 H new ATOM 0 HA GLU A 71 14.190 17.729 12.131 1.00 52.31 H new ATOM 0 HB2 GLU A 71 11.485 16.805 11.162 1.00 54.12 H new ATOM 0 HB3 GLU A 71 12.165 16.098 12.614 1.00 54.12 H new ATOM 0 HG2 GLU A 71 11.429 17.845 13.798 1.00 71.34 H new ATOM 0 HG3 GLU A 71 12.493 18.902 12.892 1.00 71.34 H new ATOM 1149 N ALA A 72 14.015 15.248 10.002 1.00 14.12 N ATOM 1150 CA ALA A 72 14.581 13.950 9.657 1.00 55.14 C ATOM 1151 C ALA A 72 16.084 13.922 9.908 1.00 3.24 C ATOM 1152 O ALA A 72 16.609 12.970 10.487 1.00 53.34 O ATOM 1153 CB ALA A 72 14.280 13.614 8.203 1.00 24.44 C ATOM 0 H ALA A 72 13.447 15.669 9.267 1.00 14.12 H new ATOM 0 HA ALA A 72 14.119 13.198 10.296 1.00 55.14 H new ATOM 0 HB1 ALA A 72 14.708 12.642 7.958 1.00 24.44 H new ATOM 0 HB2 ALA A 72 13.201 13.583 8.053 1.00 24.44 H new ATOM 0 HB3 ALA A 72 14.715 14.376 7.556 1.00 24.44 H new ATOM 1159 N ARG A 73 16.772 14.971 9.470 1.00 5.31 N ATOM 1160 CA ARG A 73 18.217 15.066 9.647 1.00 74.54 C ATOM 1161 C ARG A 73 18.600 14.865 11.110 1.00 53.20 C ATOM 1162 O ARG A 73 19.278 13.899 11.457 1.00 45.24 O ATOM 1163 CB ARG A 73 18.724 16.423 9.157 1.00 62.14 C ATOM 1164 CG ARG A 73 19.716 16.324 8.009 1.00 51.21 C ATOM 1165 CD ARG A 73 21.125 16.677 8.458 1.00 21.15 C ATOM 1166 NE ARG A 73 21.191 18.007 9.059 1.00 65.43 N ATOM 1167 CZ ARG A 73 21.065 19.133 8.366 1.00 62.13 C ATOM 1168 NH1 ARG A 73 20.867 19.090 7.056 1.00 54.25 N ATOM 1169 NH2 ARG A 73 21.137 20.305 8.983 1.00 21.05 N ATOM 0 H ARG A 73 16.353 15.767 8.990 1.00 5.31 H new ATOM 0 HA ARG A 73 18.683 14.277 9.056 1.00 74.54 H new ATOM 0 HB2 ARG A 73 17.873 17.026 8.840 1.00 62.14 H new ATOM 0 HB3 ARG A 73 19.195 16.947 9.989 1.00 62.14 H new ATOM 0 HG2 ARG A 73 19.705 15.312 7.604 1.00 51.21 H new ATOM 0 HG3 ARG A 73 19.411 16.993 7.204 1.00 51.21 H new ATOM 0 HD2 ARG A 73 21.472 15.936 9.178 1.00 21.15 H new ATOM 0 HD3 ARG A 73 21.800 16.632 7.603 1.00 21.15 H new ATOM 0 HE ARG A 73 21.342 18.074 10.065 1.00 65.43 H new ATOM 0 HH11 ARG A 73 20.811 18.191 6.578 1.00 54.25 H new ATOM 0 HH12 ARG A 73 20.771 19.956 6.526 1.00 54.25 H new ATOM 0 HH21 ARG A 73 21.289 20.342 9.991 1.00 21.05 H new ATOM 0 HH22 ARG A 73 21.040 21.169 8.450 1.00 21.05 H new ATOM 1183 N GLU A 74 18.160 15.785 11.963 1.00 51.22 N ATOM 1184 CA GLU A 74 18.458 15.709 13.388 1.00 4.51 C ATOM 1185 C GLU A 74 17.920 14.414 13.989 1.00 40.13 C ATOM 1186 O GLU A 74 18.444 13.915 14.984 1.00 31.44 O ATOM 1187 CB GLU A 74 17.860 16.912 14.122 1.00 64.23 C ATOM 1188 CG GLU A 74 18.527 17.205 15.455 1.00 23.52 C ATOM 1189 CD GLU A 74 17.550 17.714 16.497 1.00 42.12 C ATOM 1190 OE1 GLU A 74 17.166 16.925 17.385 1.00 73.40 O ATOM 1191 OE2 GLU A 74 17.170 18.901 16.424 1.00 51.21 O ATOM 0 H GLU A 74 17.596 16.591 11.692 1.00 51.22 H new ATOM 0 HA GLU A 74 19.541 15.721 13.507 1.00 4.51 H new ATOM 0 HB2 GLU A 74 17.940 17.792 13.484 1.00 64.23 H new ATOM 0 HB3 GLU A 74 16.798 16.734 14.288 1.00 64.23 H new ATOM 0 HG2 GLU A 74 19.006 16.298 15.824 1.00 23.52 H new ATOM 0 HG3 GLU A 74 19.314 17.945 15.308 1.00 23.52 H new ATOM 1198 N TRP A 75 16.871 13.877 13.376 1.00 22.45 N ATOM 1199 CA TRP A 75 16.261 12.640 13.851 1.00 71.44 C ATOM 1200 C TRP A 75 17.310 11.548 14.027 1.00 61.54 C ATOM 1201 O TRP A 75 17.208 10.715 14.928 1.00 2.44 O ATOM 1202 CB TRP A 75 15.180 12.173 12.874 1.00 41.11 C ATOM 1203 CG TRP A 75 14.140 11.302 13.511 1.00 63.53 C ATOM 1204 CD1 TRP A 75 13.275 11.653 14.507 1.00 74.22 C ATOM 1205 CD2 TRP A 75 13.859 9.933 13.196 1.00 50.52 C ATOM 1206 NE1 TRP A 75 12.472 10.585 14.830 1.00 10.42 N ATOM 1207 CE2 TRP A 75 12.810 9.519 14.040 1.00 51.03 C ATOM 1208 CE3 TRP A 75 14.389 9.019 12.282 1.00 24.00 C ATOM 1209 CZ2 TRP A 75 12.285 8.230 13.996 1.00 54.42 C ATOM 1210 CZ3 TRP A 75 13.867 7.740 12.240 1.00 42.31 C ATOM 1211 CH2 TRP A 75 12.823 7.356 13.092 1.00 61.34 C ATOM 0 H TRP A 75 16.426 14.278 12.550 1.00 22.45 H new ATOM 0 HA TRP A 75 15.804 12.838 14.821 1.00 71.44 H new ATOM 0 HB2 TRP A 75 14.695 13.045 12.436 1.00 41.11 H new ATOM 0 HB3 TRP A 75 15.651 11.626 12.057 1.00 41.11 H new ATOM 0 HD1 TRP A 75 13.228 12.626 14.973 1.00 74.22 H new ATOM 0 HE1 TRP A 75 11.742 10.586 15.543 1.00 10.42 H new ATOM 0 HE3 TRP A 75 15.192 9.307 11.620 1.00 24.00 H new ATOM 0 HZ2 TRP A 75 11.481 7.931 14.653 1.00 54.42 H new ATOM 0 HZ3 TRP A 75 14.271 7.025 11.539 1.00 42.31 H new ATOM 0 HH2 TRP A 75 12.435 6.350 13.034 1.00 61.34 H new ATOM 1222 N TYR A 76 18.317 11.556 13.161 1.00 65.01 N ATOM 1223 CA TYR A 76 19.384 10.564 13.220 1.00 5.01 C ATOM 1224 C TYR A 76 20.754 11.237 13.236 1.00 74.10 C ATOM 1225 O TYR A 76 21.786 10.571 13.165 1.00 54.13 O ATOM 1226 CB TYR A 76 19.287 9.608 12.030 1.00 44.21 C ATOM 1227 CG TYR A 76 20.194 8.404 12.145 1.00 62.20 C ATOM 1228 CD1 TYR A 76 19.934 7.400 13.070 1.00 4.23 C ATOM 1229 CD2 TYR A 76 21.311 8.270 11.330 1.00 61.34 C ATOM 1230 CE1 TYR A 76 20.760 6.298 13.180 1.00 44.24 C ATOM 1231 CE2 TYR A 76 22.142 7.171 11.431 1.00 73.41 C ATOM 1232 CZ TYR A 76 21.862 6.188 12.357 1.00 24.35 C ATOM 1233 OH TYR A 76 22.688 5.092 12.462 1.00 2.05 O ATOM 0 H TYR A 76 18.417 12.239 12.410 1.00 65.01 H new ATOM 0 HA TYR A 76 19.267 9.997 14.143 1.00 5.01 H new ATOM 0 HB2 TYR A 76 18.256 9.268 11.931 1.00 44.21 H new ATOM 0 HB3 TYR A 76 19.532 10.151 11.117 1.00 44.21 H new ATOM 0 HD1 TYR A 76 19.071 7.483 13.714 1.00 4.23 H new ATOM 0 HD2 TYR A 76 21.534 9.039 10.605 1.00 61.34 H new ATOM 0 HE1 TYR A 76 20.545 5.528 13.906 1.00 44.24 H new ATOM 0 HE2 TYR A 76 23.006 7.082 10.789 1.00 73.41 H new ATOM 0 HH TYR A 76 23.416 5.168 11.811 1.00 2.05 H new ATOM 1243 N ASN A 77 20.753 12.563 13.331 1.00 70.33 N ATOM 1244 CA ASN A 77 21.994 13.328 13.356 1.00 24.33 C ATOM 1245 C ASN A 77 22.904 12.928 12.199 1.00 71.54 C ATOM 1246 O ASN A 77 23.736 12.029 12.331 1.00 13.45 O ATOM 1247 CB ASN A 77 22.720 13.117 14.686 1.00 25.35 C ATOM 1248 CG ASN A 77 21.772 12.747 15.811 1.00 40.34 C ATOM 1249 OD1 ASN A 77 21.095 13.607 16.375 1.00 42.34 O ATOM 1250 ND2 ASN A 77 21.719 11.462 16.142 1.00 42.43 N ATOM 0 H ASN A 77 19.907 13.129 13.392 1.00 70.33 H new ATOM 0 HA ASN A 77 21.743 14.383 13.249 1.00 24.33 H new ATOM 0 HB2 ASN A 77 23.465 12.330 14.569 1.00 25.35 H new ATOM 0 HB3 ASN A 77 23.257 14.027 14.952 1.00 25.35 H new ATOM 0 HD21 ASN A 77 21.099 11.153 16.891 1.00 42.43 H new ATOM 0 HD22 ASN A 77 22.298 10.784 15.647 1.00 42.43 H new ATOM 1257 N ILE A 78 22.740 13.600 11.065 1.00 53.33 N ATOM 1258 CA ILE A 78 23.547 13.316 9.885 1.00 51.23 C ATOM 1259 C ILE A 78 24.637 14.366 9.698 1.00 13.32 C ATOM 1260 O ILE A 78 24.387 15.566 9.822 1.00 60.12 O ATOM 1261 CB ILE A 78 22.682 13.258 8.612 1.00 40.54 C ATOM 1262 CG1 ILE A 78 21.778 12.024 8.638 1.00 1.24 C ATOM 1263 CG2 ILE A 78 23.564 13.249 7.372 1.00 21.11 C ATOM 1264 CD1 ILE A 78 20.308 12.349 8.491 1.00 20.41 C ATOM 0 H ILE A 78 22.055 14.345 10.938 1.00 53.33 H new ATOM 0 HA ILE A 78 24.008 12.342 10.046 1.00 51.23 H new ATOM 0 HB ILE A 78 22.051 14.146 8.579 1.00 40.54 H new ATOM 0 HG12 ILE A 78 22.075 11.349 7.835 1.00 1.24 H new ATOM 0 HG13 ILE A 78 21.932 11.490 9.576 1.00 1.24 H new ATOM 0 HG21 ILE A 78 22.938 13.208 6.481 1.00 21.11 H new ATOM 0 HG22 ILE A 78 24.169 14.156 7.349 1.00 21.11 H new ATOM 0 HG23 ILE A 78 24.218 12.377 7.397 1.00 21.11 H new ATOM 0 HD11 ILE A 78 19.727 11.427 8.518 1.00 20.41 H new ATOM 0 HD12 ILE A 78 19.996 12.999 9.308 1.00 20.41 H new ATOM 0 HD13 ILE A 78 20.141 12.855 7.540 1.00 20.41 H new ATOM 1276 N THR A 79 25.848 13.908 9.398 1.00 71.41 N ATOM 1277 CA THR A 79 26.977 14.807 9.193 1.00 34.43 C ATOM 1278 C THR A 79 27.384 14.852 7.725 1.00 22.01 C ATOM 1279 O THR A 79 27.947 15.842 7.258 1.00 63.23 O ATOM 1280 CB THR A 79 28.192 14.383 10.039 1.00 45.31 C ATOM 1281 OG1 THR A 79 28.401 12.971 9.925 1.00 41.25 O ATOM 1282 CG2 THR A 79 27.991 14.754 11.500 1.00 12.43 C ATOM 0 H THR A 79 26.072 12.919 9.291 1.00 71.41 H new ATOM 0 HA THR A 79 26.653 15.799 9.507 1.00 34.43 H new ATOM 0 HB THR A 79 29.069 14.911 9.664 1.00 45.31 H new ATOM 0 HG1 THR A 79 29.176 12.710 10.465 1.00 41.25 H new ATOM 0 HG21 THR A 79 28.862 14.444 12.077 1.00 12.43 H new ATOM 0 HG22 THR A 79 27.863 15.833 11.587 1.00 12.43 H new ATOM 0 HG23 THR A 79 27.104 14.251 11.884 1.00 12.43 H new ATOM 1290 N SER A 80 27.096 13.775 7.002 1.00 75.30 N ATOM 1291 CA SER A 80 27.435 13.691 5.586 1.00 22.33 C ATOM 1292 C SER A 80 26.201 13.914 4.717 1.00 21.24 C ATOM 1293 O SER A 80 25.431 12.987 4.462 1.00 4.54 O ATOM 1294 CB SER A 80 28.057 12.329 5.269 1.00 11.32 C ATOM 1295 OG SER A 80 28.472 11.670 6.453 1.00 41.11 O ATOM 0 H SER A 80 26.629 12.948 7.373 1.00 75.30 H new ATOM 0 HA SER A 80 28.160 14.474 5.364 1.00 22.33 H new ATOM 0 HB2 SER A 80 27.333 11.710 4.739 1.00 11.32 H new ATOM 0 HB3 SER A 80 28.911 12.461 4.604 1.00 11.32 H new ATOM 0 HG SER A 80 29.004 10.881 6.219 1.00 41.11 H new ATOM 1301 N VAL A 81 26.019 15.151 4.265 1.00 22.53 N ATOM 1302 CA VAL A 81 24.880 15.497 3.424 1.00 51.00 C ATOM 1303 C VAL A 81 24.547 14.366 2.457 1.00 15.33 C ATOM 1304 O VAL A 81 23.436 13.835 2.443 1.00 12.51 O ATOM 1305 CB VAL A 81 25.147 16.783 2.620 1.00 53.32 C ATOM 1306 CG1 VAL A 81 24.019 17.783 2.822 1.00 14.41 C ATOM 1307 CG2 VAL A 81 26.485 17.390 3.014 1.00 31.31 C ATOM 0 H VAL A 81 26.646 15.930 4.467 1.00 22.53 H new ATOM 0 HA VAL A 81 24.033 15.663 4.090 1.00 51.00 H new ATOM 0 HB VAL A 81 25.188 16.526 1.561 1.00 53.32 H new ATOM 0 HG11 VAL A 81 24.225 18.685 2.246 1.00 14.41 H new ATOM 0 HG12 VAL A 81 23.079 17.345 2.485 1.00 14.41 H new ATOM 0 HG13 VAL A 81 23.943 18.037 3.879 1.00 14.41 H new ATOM 0 HG21 VAL A 81 26.657 18.298 2.436 1.00 31.31 H new ATOM 0 HG22 VAL A 81 26.476 17.633 4.077 1.00 31.31 H new ATOM 0 HG23 VAL A 81 27.282 16.675 2.812 1.00 31.31 H new ATOM 1317 N PRO A 82 25.531 13.987 1.629 1.00 73.14 N ATOM 1318 CA PRO A 82 25.366 12.914 0.643 1.00 3.12 C ATOM 1319 C PRO A 82 25.253 11.540 1.295 1.00 13.43 C ATOM 1320 O PRO A 82 26.176 10.728 1.222 1.00 14.23 O ATOM 1321 CB PRO A 82 26.644 13.004 -0.195 1.00 53.04 C ATOM 1322 CG PRO A 82 27.648 13.629 0.710 1.00 21.12 C ATOM 1323 CD PRO A 82 26.880 14.576 1.590 1.00 31.43 C ATOM 0 HA PRO A 82 24.450 13.030 0.064 1.00 3.12 H new ATOM 0 HB2 PRO A 82 26.970 12.018 -0.527 1.00 53.04 H new ATOM 0 HB3 PRO A 82 26.489 13.606 -1.090 1.00 53.04 H new ATOM 0 HG2 PRO A 82 28.161 12.873 1.305 1.00 21.12 H new ATOM 0 HG3 PRO A 82 28.411 14.158 0.140 1.00 21.12 H new ATOM 0 HD2 PRO A 82 27.318 14.644 2.586 1.00 31.43 H new ATOM 0 HD3 PRO A 82 26.866 15.585 1.179 1.00 31.43 H new ATOM 1331 N THR A 83 24.114 11.285 1.933 1.00 5.42 N ATOM 1332 CA THR A 83 23.881 10.010 2.599 1.00 54.12 C ATOM 1333 C THR A 83 23.174 9.028 1.672 1.00 33.30 C ATOM 1334 O THR A 83 22.629 9.416 0.638 1.00 21.14 O ATOM 1335 CB THR A 83 23.039 10.189 3.876 1.00 10.35 C ATOM 1336 OG1 THR A 83 23.335 11.451 4.485 1.00 52.41 O ATOM 1337 CG2 THR A 83 23.312 9.067 4.866 1.00 22.13 C ATOM 0 H THR A 83 23.339 11.945 2.002 1.00 5.42 H new ATOM 0 HA THR A 83 24.859 9.611 2.870 1.00 54.12 H new ATOM 0 HB THR A 83 21.986 10.158 3.597 1.00 10.35 H new ATOM 0 HG1 THR A 83 24.303 11.604 4.466 1.00 52.41 H new ATOM 0 HG21 THR A 83 22.706 9.215 5.760 1.00 22.13 H new ATOM 0 HG22 THR A 83 23.059 8.110 4.410 1.00 22.13 H new ATOM 0 HG23 THR A 83 24.367 9.071 5.138 1.00 22.13 H new ATOM 1345 N PHE A 84 23.185 7.753 2.049 1.00 43.34 N ATOM 1346 CA PHE A 84 22.545 6.714 1.250 1.00 10.42 C ATOM 1347 C PHE A 84 21.799 5.726 2.142 1.00 70.24 C ATOM 1348 O PHE A 84 22.408 4.992 2.919 1.00 24.54 O ATOM 1349 CB PHE A 84 23.586 5.974 0.408 1.00 3.13 C ATOM 1350 CG PHE A 84 23.810 6.588 -0.944 1.00 74.44 C ATOM 1351 CD1 PHE A 84 22.773 6.676 -1.859 1.00 52.42 C ATOM 1352 CD2 PHE A 84 25.057 7.075 -1.301 1.00 74.03 C ATOM 1353 CE1 PHE A 84 22.975 7.241 -3.105 1.00 32.33 C ATOM 1354 CE2 PHE A 84 25.264 7.641 -2.545 1.00 64.30 C ATOM 1355 CZ PHE A 84 24.223 7.723 -3.448 1.00 73.53 C ATOM 0 H PHE A 84 23.630 7.415 2.902 1.00 43.34 H new ATOM 0 HA PHE A 84 21.825 7.192 0.586 1.00 10.42 H new ATOM 0 HB2 PHE A 84 24.532 5.953 0.950 1.00 3.13 H new ATOM 0 HB3 PHE A 84 23.269 4.939 0.280 1.00 3.13 H new ATOM 0 HD1 PHE A 84 21.796 6.299 -1.596 1.00 52.42 H new ATOM 0 HD2 PHE A 84 25.876 7.012 -0.600 1.00 74.03 H new ATOM 0 HE1 PHE A 84 22.158 7.305 -3.809 1.00 32.33 H new ATOM 0 HE2 PHE A 84 26.240 8.019 -2.811 1.00 64.30 H new ATOM 0 HZ PHE A 84 24.384 8.163 -4.421 1.00 73.53 H new ATOM 1365 N VAL A 85 20.475 5.714 2.023 1.00 60.42 N ATOM 1366 CA VAL A 85 19.645 4.816 2.816 1.00 35.34 C ATOM 1367 C VAL A 85 18.956 3.780 1.934 1.00 10.43 C ATOM 1368 O VAL A 85 18.352 4.121 0.917 1.00 73.43 O ATOM 1369 CB VAL A 85 18.575 5.593 3.608 1.00 64.55 C ATOM 1370 CG1 VAL A 85 17.932 4.698 4.656 1.00 53.00 C ATOM 1371 CG2 VAL A 85 19.183 6.830 4.251 1.00 64.31 C ATOM 0 H VAL A 85 19.955 6.316 1.385 1.00 60.42 H new ATOM 0 HA VAL A 85 20.308 4.309 3.516 1.00 35.34 H new ATOM 0 HB VAL A 85 17.798 5.916 2.915 1.00 64.55 H new ATOM 0 HG11 VAL A 85 17.179 5.264 5.205 1.00 53.00 H new ATOM 0 HG12 VAL A 85 17.460 3.846 4.167 1.00 53.00 H new ATOM 0 HG13 VAL A 85 18.695 4.342 5.348 1.00 53.00 H new ATOM 0 HG21 VAL A 85 18.414 7.367 4.806 1.00 64.31 H new ATOM 0 HG22 VAL A 85 19.980 6.532 4.932 1.00 64.31 H new ATOM 0 HG23 VAL A 85 19.591 7.479 3.476 1.00 64.31 H new ATOM 1381 N ILE A 86 19.051 2.516 2.331 1.00 20.12 N ATOM 1382 CA ILE A 86 18.436 1.431 1.577 1.00 33.22 C ATOM 1383 C ILE A 86 17.391 0.702 2.416 1.00 41.12 C ATOM 1384 O ILE A 86 17.644 0.346 3.566 1.00 35.31 O ATOM 1385 CB ILE A 86 19.487 0.416 1.092 1.00 62.42 C ATOM 1386 CG1 ILE A 86 20.849 1.095 0.932 1.00 14.42 C ATOM 1387 CG2 ILE A 86 19.047 -0.216 -0.221 1.00 3.14 C ATOM 1388 CD1 ILE A 86 21.938 0.161 0.453 1.00 11.43 C ATOM 0 H ILE A 86 19.548 2.218 3.170 1.00 20.12 H new ATOM 0 HA ILE A 86 17.953 1.883 0.711 1.00 33.22 H new ATOM 0 HB ILE A 86 19.581 -0.372 1.839 1.00 62.42 H new ATOM 0 HG12 ILE A 86 20.754 1.921 0.227 1.00 14.42 H new ATOM 0 HG13 ILE A 86 21.146 1.526 1.888 1.00 14.42 H new ATOM 0 HG21 ILE A 86 19.800 -0.931 -0.551 1.00 3.14 H new ATOM 0 HG22 ILE A 86 18.097 -0.730 -0.077 1.00 3.14 H new ATOM 0 HG23 ILE A 86 18.928 0.560 -0.977 1.00 3.14 H new ATOM 0 HD11 ILE A 86 22.875 0.711 0.363 1.00 11.43 H new ATOM 0 HD12 ILE A 86 22.062 -0.651 1.169 1.00 11.43 H new ATOM 0 HD13 ILE A 86 21.663 -0.250 -0.518 1.00 11.43 H new ATOM 1400 N GLU A 87 16.218 0.483 1.830 1.00 31.12 N ATOM 1401 CA GLU A 87 15.135 -0.205 2.524 1.00 42.30 C ATOM 1402 C GLU A 87 14.577 -1.340 1.671 1.00 54.23 C ATOM 1403 O GLU A 87 14.585 -1.270 0.441 1.00 34.15 O ATOM 1404 CB GLU A 87 14.019 0.780 2.876 1.00 14.42 C ATOM 1405 CG GLU A 87 13.203 1.230 1.676 1.00 54.00 C ATOM 1406 CD GLU A 87 11.941 0.410 1.488 1.00 63.34 C ATOM 1407 OE1 GLU A 87 10.899 0.785 2.064 1.00 32.21 O ATOM 1408 OE2 GLU A 87 11.996 -0.607 0.764 1.00 5.25 O ATOM 0 H GLU A 87 15.993 0.771 0.878 1.00 31.12 H new ATOM 0 HA GLU A 87 15.538 -0.630 3.443 1.00 42.30 H new ATOM 0 HB2 GLU A 87 13.353 0.317 3.604 1.00 14.42 H new ATOM 0 HB3 GLU A 87 14.457 1.655 3.356 1.00 14.42 H new ATOM 0 HG2 GLU A 87 12.935 2.280 1.796 1.00 54.00 H new ATOM 0 HG3 GLU A 87 13.816 1.158 0.777 1.00 54.00 H new ATOM 1415 N LYS A 88 14.092 -2.386 2.332 1.00 43.33 N ATOM 1416 CA LYS A 88 13.529 -3.537 1.636 1.00 14.35 C ATOM 1417 C LYS A 88 12.795 -4.455 2.609 1.00 2.54 C ATOM 1418 O LYS A 88 13.363 -4.900 3.606 1.00 41.32 O ATOM 1419 CB LYS A 88 14.633 -4.316 0.918 1.00 12.50 C ATOM 1420 CG LYS A 88 14.108 -5.387 -0.023 1.00 4.35 C ATOM 1421 CD LYS A 88 13.822 -6.684 0.714 1.00 24.44 C ATOM 1422 CE LYS A 88 14.187 -7.896 -0.129 1.00 62.40 C ATOM 1423 NZ LYS A 88 14.067 -9.165 0.642 1.00 44.13 N ATOM 0 H LYS A 88 14.078 -2.460 3.349 1.00 43.33 H new ATOM 0 HA LYS A 88 12.814 -3.170 0.899 1.00 14.35 H new ATOM 0 HB2 LYS A 88 15.250 -3.618 0.352 1.00 12.50 H new ATOM 0 HB3 LYS A 88 15.279 -4.782 1.661 1.00 12.50 H new ATOM 0 HG2 LYS A 88 13.197 -5.033 -0.506 1.00 4.35 H new ATOM 0 HG3 LYS A 88 14.838 -5.569 -0.812 1.00 4.35 H new ATOM 0 HD2 LYS A 88 14.385 -6.705 1.647 1.00 24.44 H new ATOM 0 HD3 LYS A 88 12.765 -6.728 0.978 1.00 24.44 H new ATOM 0 HE2 LYS A 88 13.537 -7.939 -1.003 1.00 62.40 H new ATOM 0 HE3 LYS A 88 15.208 -7.789 -0.496 1.00 62.40 H new ATOM 0 HZ1 LYS A 88 14.324 -9.967 0.032 1.00 44.13 H new ATOM 0 HZ2 LYS A 88 14.706 -9.135 1.462 1.00 44.13 H new ATOM 0 HZ3 LYS A 88 13.087 -9.280 0.971 1.00 44.13 H new ATOM 1437 N GLY A 89 11.530 -4.735 2.312 1.00 12.33 N ATOM 1438 CA GLY A 89 10.740 -5.599 3.170 1.00 64.21 C ATOM 1439 C GLY A 89 10.068 -4.841 4.297 1.00 51.43 C ATOM 1440 O GLY A 89 9.215 -5.384 4.998 1.00 42.41 O ATOM 0 H GLY A 89 11.038 -4.379 1.493 1.00 12.33 H new ATOM 0 HA2 GLY A 89 9.981 -6.103 2.572 1.00 64.21 H new ATOM 0 HA3 GLY A 89 11.382 -6.374 3.590 1.00 64.21 H new ATOM 1444 N GLY A 90 10.454 -3.580 4.473 1.00 75.23 N ATOM 1445 CA GLY A 90 9.873 -2.767 5.525 1.00 1.11 C ATOM 1446 C GLY A 90 10.804 -2.601 6.710 1.00 32.40 C ATOM 1447 O GLY A 90 10.366 -2.634 7.860 1.00 42.14 O ATOM 0 H GLY A 90 11.158 -3.108 3.906 1.00 75.23 H new ATOM 0 HA2 GLY A 90 9.621 -1.785 5.124 1.00 1.11 H new ATOM 0 HA3 GLY A 90 8.941 -3.223 5.860 1.00 1.11 H new ATOM 1451 N GLU A 91 12.091 -2.425 6.429 1.00 22.34 N ATOM 1452 CA GLU A 91 13.086 -2.257 7.482 1.00 12.04 C ATOM 1453 C GLU A 91 14.450 -1.911 6.892 1.00 12.11 C ATOM 1454 O GLU A 91 14.759 -2.236 5.746 1.00 71.24 O ATOM 1455 CB GLU A 91 13.190 -3.531 8.324 1.00 4.50 C ATOM 1456 CG GLU A 91 12.645 -3.375 9.734 1.00 44.22 C ATOM 1457 CD GLU A 91 13.643 -3.796 10.795 1.00 45.31 C ATOM 1458 OE1 GLU A 91 14.273 -4.862 10.627 1.00 14.42 O ATOM 1459 OE2 GLU A 91 13.795 -3.060 11.792 1.00 24.35 O ATOM 0 H GLU A 91 12.469 -2.395 5.482 1.00 22.34 H new ATOM 0 HA GLU A 91 12.766 -1.433 8.120 1.00 12.04 H new ATOM 0 HB2 GLU A 91 12.650 -4.334 7.822 1.00 4.50 H new ATOM 0 HB3 GLU A 91 14.235 -3.836 8.379 1.00 4.50 H new ATOM 0 HG2 GLU A 91 12.364 -2.335 9.898 1.00 44.22 H new ATOM 0 HG3 GLU A 91 11.738 -3.971 9.837 1.00 44.22 H new ATOM 1466 N PRO A 92 15.286 -1.234 7.693 1.00 22.32 N ATOM 1467 CA PRO A 92 16.631 -0.829 7.272 1.00 14.25 C ATOM 1468 C PRO A 92 17.575 -2.017 7.126 1.00 2.22 C ATOM 1469 O PRO A 92 17.726 -2.820 8.048 1.00 63.13 O ATOM 1470 CB PRO A 92 17.096 0.088 8.407 1.00 71.23 C ATOM 1471 CG PRO A 92 16.317 -0.356 9.596 1.00 20.44 C ATOM 1472 CD PRO A 92 14.984 -0.814 9.072 1.00 41.53 C ATOM 0 HA PRO A 92 16.625 -0.350 6.293 1.00 14.25 H new ATOM 0 HB2 PRO A 92 18.168 -0.007 8.578 1.00 71.23 H new ATOM 0 HB3 PRO A 92 16.902 1.135 8.175 1.00 71.23 H new ATOM 0 HG2 PRO A 92 16.829 -1.164 10.118 1.00 20.44 H new ATOM 0 HG3 PRO A 92 16.196 0.459 10.310 1.00 20.44 H new ATOM 0 HD2 PRO A 92 14.581 -1.636 9.663 1.00 41.53 H new ATOM 0 HD3 PRO A 92 14.246 -0.012 9.095 1.00 41.53 H new ATOM 1480 N LEU A 93 18.209 -2.123 5.964 1.00 43.23 N ATOM 1481 CA LEU A 93 19.141 -3.213 5.697 1.00 72.41 C ATOM 1482 C LEU A 93 20.529 -2.675 5.366 1.00 21.12 C ATOM 1483 O LEU A 93 21.541 -3.258 5.754 1.00 13.02 O ATOM 1484 CB LEU A 93 18.628 -4.077 4.543 1.00 21.33 C ATOM 1485 CG LEU A 93 19.093 -5.534 4.538 1.00 42.05 C ATOM 1486 CD1 LEU A 93 18.532 -6.278 5.739 1.00 32.30 C ATOM 1487 CD2 LEU A 93 18.682 -6.220 3.243 1.00 71.00 C ATOM 0 H LEU A 93 18.095 -1.467 5.191 1.00 43.23 H new ATOM 0 HA LEU A 93 19.214 -3.824 6.597 1.00 72.41 H new ATOM 0 HB2 LEU A 93 17.538 -4.064 4.562 1.00 21.33 H new ATOM 0 HB3 LEU A 93 18.936 -3.615 3.605 1.00 21.33 H new ATOM 0 HG LEU A 93 20.181 -5.548 4.604 1.00 42.05 H new ATOM 0 HD11 LEU A 93 18.874 -7.313 5.718 1.00 32.30 H new ATOM 0 HD12 LEU A 93 18.877 -5.801 6.656 1.00 32.30 H new ATOM 0 HD13 LEU A 93 17.443 -6.255 5.705 1.00 32.30 H new ATOM 0 HD21 LEU A 93 19.021 -7.256 3.257 1.00 71.00 H new ATOM 0 HD22 LEU A 93 17.597 -6.195 3.146 1.00 71.00 H new ATOM 0 HD23 LEU A 93 19.134 -5.701 2.397 1.00 71.00 H new ATOM 1499 N GLY A 94 20.569 -1.557 4.648 1.00 43.12 N ATOM 1500 CA GLY A 94 21.838 -0.957 4.279 1.00 64.41 C ATOM 1501 C GLY A 94 21.899 0.521 4.609 1.00 21.32 C ATOM 1502 O GLY A 94 20.913 1.239 4.449 1.00 2.43 O ATOM 0 H GLY A 94 19.745 -1.056 4.315 1.00 43.12 H new ATOM 0 HA2 GLY A 94 22.645 -1.475 4.797 1.00 64.41 H new ATOM 0 HA3 GLY A 94 22.004 -1.095 3.211 1.00 64.41 H new ATOM 1506 N GLU A 95 23.059 0.975 5.073 1.00 63.22 N ATOM 1507 CA GLU A 95 23.243 2.377 5.429 1.00 73.11 C ATOM 1508 C GLU A 95 24.657 2.843 5.095 1.00 70.43 C ATOM 1509 O GLU A 95 25.639 2.201 5.470 1.00 53.43 O ATOM 1510 CB GLU A 95 22.963 2.589 6.918 1.00 32.22 C ATOM 1511 CG GLU A 95 23.982 1.926 7.829 1.00 3.24 C ATOM 1512 CD GLU A 95 23.340 1.223 9.009 1.00 2.25 C ATOM 1513 OE1 GLU A 95 22.565 1.877 9.739 1.00 44.11 O ATOM 1514 OE2 GLU A 95 23.612 0.020 9.204 1.00 41.12 O ATOM 0 H GLU A 95 23.885 0.393 5.211 1.00 63.22 H new ATOM 0 HA GLU A 95 22.537 2.968 4.846 1.00 73.11 H new ATOM 0 HB2 GLU A 95 22.943 3.659 7.127 1.00 32.22 H new ATOM 0 HB3 GLU A 95 21.972 2.200 7.152 1.00 32.22 H new ATOM 0 HG2 GLU A 95 24.563 1.205 7.254 1.00 3.24 H new ATOM 0 HG3 GLU A 95 24.680 2.679 8.195 1.00 3.24 H new ATOM 1521 N VAL A 96 24.753 3.963 4.386 1.00 52.20 N ATOM 1522 CA VAL A 96 26.046 4.516 4.001 1.00 52.10 C ATOM 1523 C VAL A 96 26.060 6.033 4.148 1.00 43.43 C ATOM 1524 O VAL A 96 25.047 6.699 3.935 1.00 35.10 O ATOM 1525 CB VAL A 96 26.404 4.148 2.549 1.00 55.33 C ATOM 1526 CG1 VAL A 96 27.729 4.778 2.149 1.00 2.13 C ATOM 1527 CG2 VAL A 96 26.449 2.637 2.378 1.00 54.41 C ATOM 0 H VAL A 96 23.950 4.505 4.066 1.00 52.20 H new ATOM 0 HA VAL A 96 26.788 4.082 4.671 1.00 52.10 H new ATOM 0 HB VAL A 96 25.629 4.542 1.891 1.00 55.33 H new ATOM 0 HG11 VAL A 96 27.965 4.507 1.120 1.00 2.13 H new ATOM 0 HG12 VAL A 96 27.656 5.862 2.231 1.00 2.13 H new ATOM 0 HG13 VAL A 96 28.518 4.417 2.809 1.00 2.13 H new ATOM 0 HG21 VAL A 96 26.703 2.395 1.346 1.00 54.41 H new ATOM 0 HG22 VAL A 96 27.202 2.218 3.045 1.00 54.41 H new ATOM 0 HG23 VAL A 96 25.474 2.214 2.620 1.00 54.41 H new ATOM 1537 N LYS A 97 27.217 6.576 4.512 1.00 21.14 N ATOM 1538 CA LYS A 97 27.366 8.016 4.686 1.00 24.15 C ATOM 1539 C LYS A 97 28.564 8.538 3.899 1.00 72.11 C ATOM 1540 O LYS A 97 29.643 7.948 3.928 1.00 1.21 O ATOM 1541 CB LYS A 97 27.530 8.357 6.169 1.00 31.13 C ATOM 1542 CG LYS A 97 28.917 8.060 6.712 1.00 31.34 C ATOM 1543 CD LYS A 97 29.045 8.470 8.170 1.00 51.32 C ATOM 1544 CE LYS A 97 29.068 7.260 9.090 1.00 23.50 C ATOM 1545 NZ LYS A 97 29.964 7.470 10.261 1.00 63.12 N ATOM 0 H LYS A 97 28.066 6.040 4.692 1.00 21.14 H new ATOM 0 HA LYS A 97 26.465 8.498 4.306 1.00 24.15 H new ATOM 0 HB2 LYS A 97 27.310 9.414 6.316 1.00 31.13 H new ATOM 0 HB3 LYS A 97 26.795 7.795 6.746 1.00 31.13 H new ATOM 0 HG2 LYS A 97 29.127 6.995 6.613 1.00 31.34 H new ATOM 0 HG3 LYS A 97 29.662 8.589 6.118 1.00 31.34 H new ATOM 0 HD2 LYS A 97 29.958 9.050 8.307 1.00 51.32 H new ATOM 0 HD3 LYS A 97 28.212 9.118 8.441 1.00 51.32 H new ATOM 0 HE2 LYS A 97 28.057 7.050 9.439 1.00 23.50 H new ATOM 0 HE3 LYS A 97 29.400 6.385 8.531 1.00 23.50 H new ATOM 0 HZ1 LYS A 97 29.952 6.623 10.864 1.00 63.12 H new ATOM 0 HZ2 LYS A 97 30.934 7.645 9.929 1.00 63.12 H new ATOM 0 HZ3 LYS A 97 29.633 8.289 10.809 1.00 63.12 H new ATOM 1559 N GLY A 98 28.366 9.649 3.196 1.00 15.21 N ATOM 1560 CA GLY A 98 29.438 10.232 2.412 1.00 44.31 C ATOM 1561 C GLY A 98 29.259 10.004 0.924 1.00 2.01 C ATOM 1562 O GLY A 98 28.578 9.072 0.495 1.00 43.41 O ATOM 0 H GLY A 98 27.482 10.156 3.156 1.00 15.21 H new ATOM 0 HA2 GLY A 98 29.487 11.303 2.609 1.00 44.31 H new ATOM 0 HA3 GLY A 98 30.390 9.806 2.730 1.00 44.31 H new ATOM 1566 N PRO A 99 29.880 10.870 0.110 1.00 53.54 N ATOM 1567 CA PRO A 99 29.799 10.780 -1.351 1.00 43.13 C ATOM 1568 C PRO A 99 30.553 9.574 -1.900 1.00 22.52 C ATOM 1569 O PRO A 99 31.772 9.615 -2.068 1.00 1.20 O ATOM 1570 CB PRO A 99 30.455 12.080 -1.824 1.00 12.23 C ATOM 1571 CG PRO A 99 31.372 12.466 -0.715 1.00 44.33 C ATOM 1572 CD PRO A 99 30.708 12.005 0.552 1.00 31.32 C ATOM 0 HA PRO A 99 28.772 10.655 -1.695 1.00 43.13 H new ATOM 0 HB2 PRO A 99 31.001 11.932 -2.756 1.00 12.23 H new ATOM 0 HB3 PRO A 99 29.711 12.854 -2.010 1.00 12.23 H new ATOM 0 HG2 PRO A 99 32.349 11.998 -0.836 1.00 44.33 H new ATOM 0 HG3 PRO A 99 31.534 13.544 -0.700 1.00 44.33 H new ATOM 0 HD2 PRO A 99 31.439 11.701 1.301 1.00 31.32 H new ATOM 0 HD3 PRO A 99 30.103 12.794 0.999 1.00 31.32 H new ATOM 1580 N ASP A 100 29.821 8.500 -2.177 1.00 50.54 N ATOM 1581 CA ASP A 100 30.421 7.282 -2.709 1.00 12.12 C ATOM 1582 C ASP A 100 29.521 6.650 -3.767 1.00 2.25 C ATOM 1583 O ASP A 100 29.059 5.520 -3.608 1.00 24.15 O ATOM 1584 CB ASP A 100 30.682 6.283 -1.581 1.00 21.23 C ATOM 1585 CG ASP A 100 29.405 5.830 -0.901 1.00 11.21 C ATOM 1586 OD1 ASP A 100 29.223 4.606 -0.734 1.00 22.24 O ATOM 1587 OD2 ASP A 100 28.587 6.700 -0.535 1.00 44.22 O ATOM 0 H ASP A 100 28.811 8.448 -2.042 1.00 50.54 H new ATOM 0 HA ASP A 100 31.369 7.547 -3.176 1.00 12.12 H new ATOM 0 HB2 ASP A 100 31.204 5.414 -1.983 1.00 21.23 H new ATOM 0 HB3 ASP A 100 31.342 6.738 -0.842 1.00 21.23 H new ATOM 1592 N ILE A 101 29.276 7.387 -4.844 1.00 42.45 N ATOM 1593 CA ILE A 101 28.432 6.899 -5.928 1.00 21.13 C ATOM 1594 C ILE A 101 28.979 5.598 -6.507 1.00 14.43 C ATOM 1595 O ILE A 101 28.233 4.793 -7.064 1.00 55.21 O ATOM 1596 CB ILE A 101 28.308 7.938 -7.057 1.00 50.43 C ATOM 1597 CG1 ILE A 101 27.660 9.221 -6.531 1.00 71.30 C ATOM 1598 CG2 ILE A 101 27.503 7.368 -8.216 1.00 11.45 C ATOM 1599 CD1 ILE A 101 26.217 9.041 -6.115 1.00 12.52 C ATOM 0 H ILE A 101 29.650 8.325 -4.990 1.00 42.45 H new ATOM 0 HA ILE A 101 27.445 6.718 -5.502 1.00 21.13 H new ATOM 0 HB ILE A 101 29.307 8.180 -7.419 1.00 50.43 H new ATOM 0 HG12 ILE A 101 28.233 9.585 -5.678 1.00 71.30 H new ATOM 0 HG13 ILE A 101 27.714 9.989 -7.303 1.00 71.30 H new ATOM 0 HG21 ILE A 101 27.424 8.115 -9.006 1.00 11.45 H new ATOM 0 HG22 ILE A 101 28.002 6.480 -8.604 1.00 11.45 H new ATOM 0 HG23 ILE A 101 26.505 7.100 -7.869 1.00 11.45 H new ATOM 0 HD11 ILE A 101 25.822 9.990 -5.753 1.00 12.52 H new ATOM 0 HD12 ILE A 101 25.631 8.707 -6.971 1.00 12.52 H new ATOM 0 HD13 ILE A 101 26.157 8.296 -5.321 1.00 12.52 H new ATOM 1611 N ASP A 102 30.285 5.399 -6.369 1.00 72.03 N ATOM 1612 CA ASP A 102 30.932 4.194 -6.876 1.00 52.31 C ATOM 1613 C ASP A 102 30.601 2.990 -6.000 1.00 53.11 C ATOM 1614 O ASP A 102 30.138 1.960 -6.491 1.00 15.24 O ATOM 1615 CB ASP A 102 32.447 4.392 -6.941 1.00 0.31 C ATOM 1616 CG ASP A 102 33.015 4.068 -8.308 1.00 63.44 C ATOM 1617 OD1 ASP A 102 34.137 3.522 -8.371 1.00 21.32 O ATOM 1618 OD2 ASP A 102 32.338 4.359 -9.316 1.00 61.52 O ATOM 0 H ASP A 102 30.916 6.056 -5.911 1.00 72.03 H new ATOM 0 HA ASP A 102 30.555 4.004 -7.881 1.00 52.31 H new ATOM 0 HB2 ASP A 102 32.687 5.424 -6.687 1.00 0.31 H new ATOM 0 HB3 ASP A 102 32.925 3.760 -6.193 1.00 0.31 H new ATOM 1623 N LYS A 103 30.842 3.126 -4.701 1.00 23.04 N ATOM 1624 CA LYS A 103 30.570 2.050 -3.755 1.00 2.23 C ATOM 1625 C LYS A 103 29.088 1.690 -3.752 1.00 50.01 C ATOM 1626 O LYS A 103 28.701 0.614 -3.295 1.00 30.23 O ATOM 1627 CB LYS A 103 31.009 2.458 -2.347 1.00 3.34 C ATOM 1628 CG LYS A 103 31.662 1.333 -1.563 1.00 65.11 C ATOM 1629 CD LYS A 103 32.954 1.788 -0.905 1.00 43.13 C ATOM 1630 CE LYS A 103 34.022 2.112 -1.939 1.00 1.11 C ATOM 1631 NZ LYS A 103 35.395 1.895 -1.405 1.00 21.11 N ATOM 0 H LYS A 103 31.226 3.971 -4.279 1.00 23.04 H new ATOM 0 HA LYS A 103 31.138 1.174 -4.067 1.00 2.23 H new ATOM 0 HB2 LYS A 103 31.708 3.291 -2.421 1.00 3.34 H new ATOM 0 HB3 LYS A 103 30.141 2.818 -1.795 1.00 3.34 H new ATOM 0 HG2 LYS A 103 30.972 0.972 -0.800 1.00 65.11 H new ATOM 0 HG3 LYS A 103 31.868 0.495 -2.230 1.00 65.11 H new ATOM 0 HD2 LYS A 103 32.761 2.668 -0.292 1.00 43.13 H new ATOM 0 HD3 LYS A 103 33.318 1.007 -0.237 1.00 43.13 H new ATOM 0 HE2 LYS A 103 33.873 1.490 -2.822 1.00 1.11 H new ATOM 0 HE3 LYS A 103 33.916 3.149 -2.258 1.00 1.11 H new ATOM 0 HZ1 LYS A 103 36.094 2.127 -2.140 1.00 21.11 H new ATOM 0 HZ2 LYS A 103 35.546 2.507 -0.578 1.00 21.11 H new ATOM 0 HZ3 LYS A 103 35.505 0.900 -1.124 1.00 21.11 H new ATOM 1645 N LEU A 104 28.263 2.595 -4.266 1.00 40.33 N ATOM 1646 CA LEU A 104 26.823 2.372 -4.325 1.00 15.22 C ATOM 1647 C LEU A 104 26.498 1.119 -5.131 1.00 60.31 C ATOM 1648 O LEU A 104 25.564 0.385 -4.807 1.00 63.31 O ATOM 1649 CB LEU A 104 26.123 3.585 -4.942 1.00 23.31 C ATOM 1650 CG LEU A 104 24.599 3.614 -4.822 1.00 23.31 C ATOM 1651 CD1 LEU A 104 24.178 4.334 -3.551 1.00 34.15 C ATOM 1652 CD2 LEU A 104 23.981 4.278 -6.043 1.00 74.44 C ATOM 0 H LEU A 104 28.567 3.491 -4.648 1.00 40.33 H new ATOM 0 HA LEU A 104 26.461 2.231 -3.307 1.00 15.22 H new ATOM 0 HB2 LEU A 104 26.521 4.486 -4.475 1.00 23.31 H new ATOM 0 HB3 LEU A 104 26.385 3.632 -5.999 1.00 23.31 H new ATOM 0 HG LEU A 104 24.238 2.587 -4.770 1.00 23.31 H new ATOM 0 HD11 LEU A 104 23.090 4.345 -3.482 1.00 34.15 H new ATOM 0 HD12 LEU A 104 24.591 3.816 -2.686 1.00 34.15 H new ATOM 0 HD13 LEU A 104 24.550 5.358 -3.573 1.00 34.15 H new ATOM 0 HD21 LEU A 104 22.896 4.290 -5.941 1.00 74.44 H new ATOM 0 HD22 LEU A 104 24.349 5.301 -6.126 1.00 74.44 H new ATOM 0 HD23 LEU A 104 24.255 3.720 -6.938 1.00 74.44 H new ATOM 1664 N ARG A 105 27.276 0.879 -6.181 1.00 43.14 N ATOM 1665 CA ARG A 105 27.072 -0.286 -7.033 1.00 62.24 C ATOM 1666 C ARG A 105 27.192 -1.577 -6.228 1.00 3.52 C ATOM 1667 O ARG A 105 26.688 -2.622 -6.635 1.00 71.40 O ATOM 1668 CB ARG A 105 28.087 -0.291 -8.179 1.00 34.24 C ATOM 1669 CG ARG A 105 27.543 -0.878 -9.471 1.00 41.01 C ATOM 1670 CD ARG A 105 28.264 -0.314 -10.685 1.00 51.34 C ATOM 1671 NE ARG A 105 29.136 -1.303 -11.313 1.00 4.34 N ATOM 1672 CZ ARG A 105 30.001 -1.013 -12.278 1.00 50.35 C ATOM 1673 NH1 ARG A 105 30.108 0.231 -12.725 1.00 63.02 N ATOM 1674 NH2 ARG A 105 30.761 -1.968 -12.799 1.00 52.22 N ATOM 0 H ARG A 105 28.054 1.476 -6.462 1.00 43.14 H new ATOM 0 HA ARG A 105 26.066 -0.229 -7.448 1.00 62.24 H new ATOM 0 HB2 ARG A 105 28.418 0.731 -8.365 1.00 34.24 H new ATOM 0 HB3 ARG A 105 28.965 -0.859 -7.873 1.00 34.24 H new ATOM 0 HG2 ARG A 105 27.651 -1.962 -9.453 1.00 41.01 H new ATOM 0 HG3 ARG A 105 26.477 -0.665 -9.548 1.00 41.01 H new ATOM 0 HD2 ARG A 105 27.531 0.036 -11.412 1.00 51.34 H new ATOM 0 HD3 ARG A 105 28.855 0.552 -10.386 1.00 51.34 H new ATOM 0 HE ARG A 105 29.077 -2.270 -10.993 1.00 4.34 H new ATOM 0 HH11 ARG A 105 29.525 0.968 -12.327 1.00 63.02 H new ATOM 0 HH12 ARG A 105 30.773 0.451 -13.466 1.00 63.02 H new ATOM 0 HH21 ARG A 105 30.681 -2.926 -12.458 1.00 52.22 H new ATOM 0 HH22 ARG A 105 31.425 -1.744 -13.540 1.00 52.22 H new ATOM 1688 N GLU A 106 27.864 -1.493 -5.084 1.00 30.55 N ATOM 1689 CA GLU A 106 28.051 -2.655 -4.222 1.00 71.13 C ATOM 1690 C GLU A 106 27.015 -2.674 -3.102 1.00 3.14 C ATOM 1691 O GLU A 106 26.302 -3.661 -2.915 1.00 45.31 O ATOM 1692 CB GLU A 106 29.461 -2.656 -3.628 1.00 41.24 C ATOM 1693 CG GLU A 106 30.532 -2.194 -4.602 1.00 51.34 C ATOM 1694 CD GLU A 106 31.897 -2.774 -4.287 1.00 71.02 C ATOM 1695 OE1 GLU A 106 31.971 -3.983 -3.983 1.00 31.04 O ATOM 1696 OE2 GLU A 106 32.891 -2.020 -4.345 1.00 15.03 O ATOM 0 H GLU A 106 28.287 -0.634 -4.733 1.00 30.55 H new ATOM 0 HA GLU A 106 27.920 -3.551 -4.829 1.00 71.13 H new ATOM 0 HB2 GLU A 106 29.477 -2.010 -2.750 1.00 41.24 H new ATOM 0 HB3 GLU A 106 29.702 -3.663 -3.287 1.00 41.24 H new ATOM 0 HG2 GLU A 106 30.245 -2.480 -5.614 1.00 51.34 H new ATOM 0 HG3 GLU A 106 30.591 -1.106 -4.582 1.00 51.34 H new ATOM 1703 N THR A 107 26.938 -1.576 -2.357 1.00 1.54 N ATOM 1704 CA THR A 107 25.992 -1.465 -1.253 1.00 62.24 C ATOM 1705 C THR A 107 24.580 -1.822 -1.702 1.00 72.14 C ATOM 1706 O THR A 107 23.810 -2.420 -0.949 1.00 63.10 O ATOM 1707 CB THR A 107 25.986 -0.044 -0.659 1.00 31.33 C ATOM 1708 OG1 THR A 107 27.314 0.490 -0.653 1.00 43.43 O ATOM 1709 CG2 THR A 107 25.431 -0.053 0.758 1.00 45.01 C ATOM 0 H THR A 107 27.520 -0.750 -2.498 1.00 1.54 H new ATOM 0 HA THR A 107 26.316 -2.169 -0.487 1.00 62.24 H new ATOM 0 HB THR A 107 25.346 0.583 -1.280 1.00 31.33 H new ATOM 0 HG1 THR A 107 27.273 1.467 -0.587 1.00 43.43 H new ATOM 0 HG21 THR A 107 25.436 0.961 1.157 1.00 45.01 H new ATOM 0 HG22 THR A 107 24.409 -0.433 0.746 1.00 45.01 H new ATOM 0 HG23 THR A 107 26.049 -0.694 1.387 1.00 45.01 H new ATOM 1717 N LEU A 108 24.245 -1.453 -2.934 1.00 14.04 N ATOM 1718 CA LEU A 108 22.923 -1.735 -3.484 1.00 24.30 C ATOM 1719 C LEU A 108 22.871 -3.137 -4.082 1.00 71.41 C ATOM 1720 O LEU A 108 21.801 -3.737 -4.190 1.00 63.41 O ATOM 1721 CB LEU A 108 22.561 -0.700 -4.550 1.00 44.21 C ATOM 1722 CG LEU A 108 22.847 -1.099 -5.998 1.00 73.42 C ATOM 1723 CD1 LEU A 108 21.659 -1.842 -6.591 1.00 1.40 C ATOM 1724 CD2 LEU A 108 23.182 0.127 -6.834 1.00 4.33 C ATOM 0 H LEU A 108 24.870 -0.958 -3.571 1.00 14.04 H new ATOM 0 HA LEU A 108 22.199 -1.679 -2.671 1.00 24.30 H new ATOM 0 HB2 LEU A 108 21.499 -0.472 -4.460 1.00 44.21 H new ATOM 0 HB3 LEU A 108 23.104 0.220 -4.334 1.00 44.21 H new ATOM 0 HG LEU A 108 23.709 -1.766 -6.007 1.00 73.42 H new ATOM 0 HD11 LEU A 108 21.880 -2.118 -7.622 1.00 1.40 H new ATOM 0 HD12 LEU A 108 21.465 -2.742 -6.008 1.00 1.40 H new ATOM 0 HD13 LEU A 108 20.779 -1.199 -6.569 1.00 1.40 H new ATOM 0 HD21 LEU A 108 23.383 -0.177 -7.861 1.00 4.33 H new ATOM 0 HD22 LEU A 108 22.340 0.819 -6.818 1.00 4.33 H new ATOM 0 HD23 LEU A 108 24.064 0.618 -6.422 1.00 4.33 H new ATOM 1736 N ASP A 109 24.032 -3.654 -4.467 1.00 64.43 N ATOM 1737 CA ASP A 109 24.120 -4.988 -5.051 1.00 53.25 C ATOM 1738 C ASP A 109 23.955 -6.062 -3.981 1.00 5.01 C ATOM 1739 O ASP A 109 23.203 -7.019 -4.159 1.00 52.13 O ATOM 1740 CB ASP A 109 25.458 -5.166 -5.770 1.00 21.42 C ATOM 1741 CG ASP A 109 25.890 -6.618 -5.837 1.00 73.23 C ATOM 1742 OD1 ASP A 109 26.929 -6.957 -5.233 1.00 33.33 O ATOM 1743 OD2 ASP A 109 25.188 -7.415 -6.494 1.00 30.42 O ATOM 0 H ASP A 109 24.926 -3.170 -4.385 1.00 64.43 H new ATOM 0 HA ASP A 109 23.312 -5.095 -5.774 1.00 53.25 H new ATOM 0 HB2 ASP A 109 25.380 -4.766 -6.781 1.00 21.42 H new ATOM 0 HB3 ASP A 109 26.224 -4.585 -5.256 1.00 21.42 H new ATOM 1748 N GLU A 110 24.666 -5.896 -2.870 1.00 31.25 N ATOM 1749 CA GLU A 110 24.600 -6.853 -1.771 1.00 74.44 C ATOM 1750 C GLU A 110 23.157 -7.067 -1.322 1.00 0.41 C ATOM 1751 O GLU A 110 22.823 -8.099 -0.739 1.00 15.35 O ATOM 1752 CB GLU A 110 25.447 -6.370 -0.592 1.00 74.14 C ATOM 1753 CG GLU A 110 26.891 -6.078 -0.960 1.00 45.53 C ATOM 1754 CD GLU A 110 27.759 -7.321 -0.951 1.00 62.10 C ATOM 1755 OE1 GLU A 110 27.253 -8.400 -1.325 1.00 13.21 O ATOM 1756 OE2 GLU A 110 28.944 -7.216 -0.570 1.00 54.01 O ATOM 0 H GLU A 110 25.294 -5.109 -2.707 1.00 31.25 H new ATOM 0 HA GLU A 110 24.996 -7.804 -2.127 1.00 74.44 H new ATOM 0 HB2 GLU A 110 24.997 -5.468 -0.178 1.00 74.14 H new ATOM 0 HB3 GLU A 110 25.427 -7.126 0.193 1.00 74.14 H new ATOM 0 HG2 GLU A 110 26.925 -5.623 -1.950 1.00 45.53 H new ATOM 0 HG3 GLU A 110 27.300 -5.349 -0.260 1.00 45.53 H new ATOM 1763 N LEU A 111 22.307 -6.084 -1.597 1.00 13.21 N ATOM 1764 CA LEU A 111 20.899 -6.162 -1.221 1.00 23.21 C ATOM 1765 C LEU A 111 20.040 -6.574 -2.412 1.00 13.12 C ATOM 1766 O LEU A 111 19.297 -7.554 -2.346 1.00 21.53 O ATOM 1767 CB LEU A 111 20.422 -4.816 -0.674 1.00 15.03 C ATOM 1768 CG LEU A 111 18.915 -4.679 -0.449 1.00 62.13 C ATOM 1769 CD1 LEU A 111 18.220 -4.261 -1.735 1.00 73.15 C ATOM 1770 CD2 LEU A 111 18.333 -5.984 0.074 1.00 22.11 C ATOM 0 H LEU A 111 22.568 -5.224 -2.079 1.00 13.21 H new ATOM 0 HA LEU A 111 20.797 -6.919 -0.444 1.00 23.21 H new ATOM 0 HB2 LEU A 111 20.929 -4.631 0.273 1.00 15.03 H new ATOM 0 HB3 LEU A 111 20.739 -4.033 -1.363 1.00 15.03 H new ATOM 0 HG LEU A 111 18.747 -3.904 0.299 1.00 62.13 H new ATOM 0 HD11 LEU A 111 17.149 -4.168 -1.556 1.00 73.15 H new ATOM 0 HD12 LEU A 111 18.617 -3.302 -2.068 1.00 73.15 H new ATOM 0 HD13 LEU A 111 18.396 -5.013 -2.504 1.00 73.15 H new ATOM 0 HD21 LEU A 111 17.260 -5.868 0.228 1.00 22.11 H new ATOM 0 HD22 LEU A 111 18.512 -6.778 -0.651 1.00 22.11 H new ATOM 0 HD23 LEU A 111 18.810 -6.242 1.020 1.00 22.11 H new ATOM 1782 N LEU A 112 20.147 -5.820 -3.500 1.00 75.35 N ATOM 1783 CA LEU A 112 19.381 -6.108 -4.708 1.00 54.13 C ATOM 1784 C LEU A 112 19.607 -7.545 -5.167 1.00 51.23 C ATOM 1785 O LEU A 112 18.751 -8.140 -5.822 1.00 2.24 O ATOM 1786 CB LEU A 112 19.768 -5.137 -5.825 1.00 10.21 C ATOM 1787 CG LEU A 112 18.771 -5.007 -6.977 1.00 43.12 C ATOM 1788 CD1 LEU A 112 17.409 -4.575 -6.458 1.00 52.53 C ATOM 1789 CD2 LEU A 112 19.285 -4.023 -8.018 1.00 13.50 C ATOM 0 H LEU A 112 20.756 -5.005 -3.571 1.00 75.35 H new ATOM 0 HA LEU A 112 18.323 -5.982 -4.476 1.00 54.13 H new ATOM 0 HB2 LEU A 112 19.916 -4.150 -5.386 1.00 10.21 H new ATOM 0 HB3 LEU A 112 20.728 -5.451 -6.235 1.00 10.21 H new ATOM 0 HG LEU A 112 18.663 -5.983 -7.451 1.00 43.12 H new ATOM 0 HD11 LEU A 112 16.713 -4.488 -7.292 1.00 52.53 H new ATOM 0 HD12 LEU A 112 17.037 -5.317 -5.751 1.00 52.53 H new ATOM 0 HD13 LEU A 112 17.499 -3.610 -5.958 1.00 52.53 H new ATOM 0 HD21 LEU A 112 18.563 -3.943 -8.831 1.00 13.50 H new ATOM 0 HD22 LEU A 112 19.423 -3.045 -7.557 1.00 13.50 H new ATOM 0 HD23 LEU A 112 20.238 -4.376 -8.413 1.00 13.50 H new ATOM 1801 N ALA A 113 20.764 -8.097 -4.818 1.00 1.12 N ATOM 1802 CA ALA A 113 21.101 -9.465 -5.190 1.00 60.31 C ATOM 1803 C ALA A 113 20.470 -10.467 -4.229 1.00 51.10 C ATOM 1804 O ALA A 113 20.166 -11.598 -4.608 1.00 32.10 O ATOM 1805 CB ALA A 113 22.611 -9.646 -5.227 1.00 4.32 C ATOM 0 H ALA A 113 21.484 -7.617 -4.278 1.00 1.12 H new ATOM 0 HA ALA A 113 20.699 -9.653 -6.186 1.00 60.31 H new ATOM 0 HB1 ALA A 113 22.848 -10.673 -5.506 1.00 4.32 H new ATOM 0 HB2 ALA A 113 23.042 -8.962 -5.959 1.00 4.32 H new ATOM 0 HB3 ALA A 113 23.027 -9.433 -4.242 1.00 4.32 H new ATOM 1811 N ARG A 114 20.276 -10.044 -2.984 1.00 25.20 N ATOM 1812 CA ARG A 114 19.683 -10.906 -1.968 1.00 42.52 C ATOM 1813 C ARG A 114 18.301 -11.384 -2.401 1.00 74.22 C ATOM 1814 O ARG A 114 18.038 -12.586 -2.461 1.00 23.22 O ATOM 1815 CB ARG A 114 19.583 -10.163 -0.635 1.00 0.24 C ATOM 1816 CG ARG A 114 19.282 -11.070 0.547 1.00 73.42 C ATOM 1817 CD ARG A 114 20.388 -11.014 1.589 1.00 72.11 C ATOM 1818 NE ARG A 114 20.400 -12.202 2.439 1.00 11.50 N ATOM 1819 CZ ARG A 114 21.362 -12.468 3.315 1.00 31.23 C ATOM 1820 NH1 ARG A 114 22.384 -11.636 3.456 1.00 1.34 N ATOM 1821 NH2 ARG A 114 21.302 -13.569 4.053 1.00 23.42 N ATOM 0 H ARG A 114 20.521 -9.110 -2.655 1.00 25.20 H new ATOM 0 HA ARG A 114 20.327 -11.776 -1.844 1.00 42.52 H new ATOM 0 HB2 ARG A 114 20.520 -9.638 -0.450 1.00 0.24 H new ATOM 0 HB3 ARG A 114 18.803 -9.405 -0.709 1.00 0.24 H new ATOM 0 HG2 ARG A 114 18.337 -10.774 1.002 1.00 73.42 H new ATOM 0 HG3 ARG A 114 19.161 -12.096 0.198 1.00 73.42 H new ATOM 0 HD2 ARG A 114 21.352 -10.916 1.090 1.00 72.11 H new ATOM 0 HD3 ARG A 114 20.258 -10.126 2.208 1.00 72.11 H new ATOM 0 HE ARG A 114 19.628 -12.863 2.355 1.00 11.50 H new ATOM 0 HH11 ARG A 114 22.433 -10.788 2.891 1.00 1.34 H new ATOM 0 HH12 ARG A 114 23.121 -11.843 4.130 1.00 1.34 H new ATOM 0 HH21 ARG A 114 20.517 -14.211 3.948 1.00 23.42 H new ATOM 0 HH22 ARG A 114 22.041 -13.773 4.726 1.00 23.42 H new ATOM 1835 N LEU A 115 17.420 -10.436 -2.702 1.00 34.41 N ATOM 1836 CA LEU A 115 16.063 -10.761 -3.129 1.00 50.42 C ATOM 1837 C LEU A 115 16.079 -11.754 -4.287 1.00 3.13 C ATOM 1838 O LEU A 115 15.404 -12.781 -4.244 1.00 72.43 O ATOM 1839 CB LEU A 115 15.320 -9.489 -3.544 1.00 22.24 C ATOM 1840 CG LEU A 115 13.798 -9.524 -3.401 1.00 62.52 C ATOM 1841 CD1 LEU A 115 13.203 -8.157 -3.696 1.00 54.43 C ATOM 1842 CD2 LEU A 115 13.201 -10.578 -4.322 1.00 75.30 C ATOM 0 H LEU A 115 17.621 -9.437 -2.658 1.00 34.41 H new ATOM 0 HA LEU A 115 15.544 -11.221 -2.288 1.00 50.42 H new ATOM 0 HB2 LEU A 115 15.702 -8.659 -2.950 1.00 22.24 H new ATOM 0 HB3 LEU A 115 15.562 -9.274 -4.585 1.00 22.24 H new ATOM 0 HG LEU A 115 13.554 -9.789 -2.372 1.00 62.52 H new ATOM 0 HD11 LEU A 115 12.119 -8.201 -3.589 1.00 54.43 H new ATOM 0 HD12 LEU A 115 13.607 -7.426 -2.996 1.00 54.43 H new ATOM 0 HD13 LEU A 115 13.456 -7.862 -4.715 1.00 54.43 H new ATOM 0 HD21 LEU A 115 12.117 -10.589 -4.207 1.00 75.30 H new ATOM 0 HD22 LEU A 115 13.454 -10.343 -5.356 1.00 75.30 H new ATOM 0 HD23 LEU A 115 13.604 -11.557 -4.063 1.00 75.30 H new ATOM 1854 N GLU A 116 16.857 -11.440 -5.318 1.00 62.21 N ATOM 1855 CA GLU A 116 16.962 -12.307 -6.486 1.00 41.43 C ATOM 1856 C GLU A 116 18.381 -12.847 -6.637 1.00 62.01 C ATOM 1857 O GLU A 116 18.591 -14.058 -6.703 1.00 12.32 O ATOM 1858 CB GLU A 116 16.557 -11.546 -7.751 1.00 20.32 C ATOM 1859 CG GLU A 116 15.542 -12.285 -8.606 1.00 74.23 C ATOM 1860 CD GLU A 116 16.118 -13.531 -9.250 1.00 73.40 C ATOM 1861 OE1 GLU A 116 17.021 -13.395 -10.101 1.00 44.13 O ATOM 1862 OE2 GLU A 116 15.665 -14.642 -8.903 1.00 64.32 O ATOM 0 H GLU A 116 17.423 -10.593 -5.368 1.00 62.21 H new ATOM 0 HA GLU A 116 16.285 -13.149 -6.344 1.00 41.43 H new ATOM 0 HB2 GLU A 116 16.144 -10.578 -7.466 1.00 20.32 H new ATOM 0 HB3 GLU A 116 17.448 -11.349 -8.348 1.00 20.32 H new ATOM 0 HG2 GLU A 116 14.686 -12.561 -7.990 1.00 74.23 H new ATOM 0 HG3 GLU A 116 15.172 -11.617 -9.384 1.00 74.23 H new