USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 575 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 50 TYR OH : rot 79:sc= -0.468 USER MOD Set 1.2: A 70 ASN :FLIP amide:sc= -2.16 F(o=-5.7!,f=-2.6) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 23:sc= 0.654 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl -155:sc= -10! (180deg=-13.1!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.062 USER MOD Single : A 26 LYS NZ :NH3+ 161:sc= -0.0994 (180deg=-0.448) USER MOD Single : A 29 LYS NZ :NH3+ -137:sc= -1.04! (180deg=-2.57!) USER MOD Single : A 31 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.0777) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -5.77! C(o=-5.8!,f=-9.9!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= -0.32 USER MOD Single : A 64 TYR OH : rot 132:sc= 1.24 USER MOD Single : A 69 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00976) USER MOD Single : A 75 MET CE :methyl 141:sc= -0.556 (180deg=-2.06!) USER MOD ----------------------------------------------------------------- ATOM 60 N ILE A 5 58.035 2.627 -4.328 1.00 0.00 N ATOM 61 CA ILE A 5 59.482 2.416 -4.310 1.00 0.00 C ATOM 62 C ILE A 5 59.858 1.154 -5.115 1.00 0.00 C ATOM 63 O ILE A 5 59.025 0.302 -5.344 1.00 0.00 O ATOM 64 CB ILE A 5 59.967 2.358 -2.836 1.00 0.00 C ATOM 65 CG1 ILE A 5 60.417 3.758 -2.388 1.00 0.00 C ATOM 66 CG2 ILE A 5 61.112 1.386 -2.628 1.00 0.00 C ATOM 67 CD1 ILE A 5 61.491 3.783 -1.296 1.00 0.00 C ATOM 0 HA ILE A 5 59.990 3.249 -4.797 1.00 0.00 H new ATOM 0 HB ILE A 5 59.125 2.006 -2.240 1.00 0.00 H new ATOM 0 HG12 ILE A 5 60.794 4.296 -3.258 1.00 0.00 H new ATOM 0 HG13 ILE A 5 59.545 4.304 -2.029 1.00 0.00 H new ATOM 0 HG21 ILE A 5 61.407 1.390 -1.579 1.00 0.00 H new ATOM 0 HG22 ILE A 5 60.794 0.383 -2.912 1.00 0.00 H new ATOM 0 HG23 ILE A 5 61.960 1.685 -3.244 1.00 0.00 H new ATOM 0 HD11 ILE A 5 61.738 4.816 -1.052 1.00 0.00 H new ATOM 0 HD12 ILE A 5 61.116 3.280 -0.405 1.00 0.00 H new ATOM 0 HD13 ILE A 5 62.385 3.271 -1.653 1.00 0.00 H new ATOM 79 N THR A 6 61.149 1.093 -5.506 1.00 0.00 N ATOM 80 CA THR A 6 61.716 -0.081 -6.156 1.00 0.00 C ATOM 81 C THR A 6 63.112 -0.298 -5.563 1.00 0.00 C ATOM 82 O THR A 6 63.936 0.598 -5.594 1.00 0.00 O ATOM 83 CB THR A 6 61.766 0.160 -7.670 1.00 0.00 C ATOM 84 OG1 THR A 6 60.456 0.295 -8.166 1.00 0.00 O ATOM 85 CG2 THR A 6 62.450 -0.969 -8.457 1.00 0.00 C ATOM 0 H THR A 6 61.813 1.856 -5.376 1.00 0.00 H new ATOM 0 HA THR A 6 61.113 -0.974 -5.989 1.00 0.00 H new ATOM 0 HB THR A 6 62.356 1.066 -7.809 1.00 0.00 H new ATOM 0 HG1 THR A 6 60.487 0.451 -9.133 1.00 0.00 H new ATOM 0 HG21 THR A 6 62.446 -0.726 -9.520 1.00 0.00 H new ATOM 0 HG22 THR A 6 63.479 -1.080 -8.114 1.00 0.00 H new ATOM 0 HG23 THR A 6 61.911 -1.903 -8.297 1.00 0.00 H new ATOM 93 N LEU A 7 63.342 -1.502 -4.995 1.00 0.00 N ATOM 94 CA LEU A 7 64.645 -1.819 -4.421 1.00 0.00 C ATOM 95 C LEU A 7 65.243 -3.022 -5.161 1.00 0.00 C ATOM 96 O LEU A 7 64.597 -3.650 -5.990 1.00 0.00 O ATOM 97 CB LEU A 7 64.553 -2.140 -2.928 1.00 0.00 C ATOM 98 CG LEU A 7 63.660 -1.231 -2.081 1.00 0.00 C ATOM 99 CD1 LEU A 7 63.895 0.260 -2.245 1.00 0.00 C ATOM 100 CD2 LEU A 7 62.189 -1.606 -2.172 1.00 0.00 C ATOM 0 H LEU A 7 62.651 -2.249 -4.927 1.00 0.00 H new ATOM 0 HA LEU A 7 65.282 -0.941 -4.534 1.00 0.00 H new ATOM 0 HB2 LEU A 7 64.194 -3.164 -2.822 1.00 0.00 H new ATOM 0 HB3 LEU A 7 65.560 -2.111 -2.512 1.00 0.00 H new ATOM 0 HG LEU A 7 63.984 -1.431 -1.060 1.00 0.00 H new ATOM 0 HD11 LEU A 7 63.209 0.810 -1.600 1.00 0.00 H new ATOM 0 HD12 LEU A 7 64.922 0.499 -1.970 1.00 0.00 H new ATOM 0 HD13 LEU A 7 63.722 0.544 -3.283 1.00 0.00 H new ATOM 0 HD21 LEU A 7 61.602 -0.929 -1.552 1.00 0.00 H new ATOM 0 HD22 LEU A 7 61.857 -1.529 -3.207 1.00 0.00 H new ATOM 0 HD23 LEU A 7 62.052 -2.629 -1.822 1.00 0.00 H new ATOM 112 N LYS A 8 66.512 -3.303 -4.790 1.00 0.00 N ATOM 113 CA LYS A 8 67.235 -4.406 -5.405 1.00 0.00 C ATOM 114 C LYS A 8 68.375 -4.826 -4.484 1.00 0.00 C ATOM 115 O LYS A 8 69.148 -4.009 -4.018 1.00 0.00 O ATOM 116 CB LYS A 8 67.807 -3.941 -6.747 1.00 0.00 C ATOM 117 CG LYS A 8 68.215 -5.074 -7.700 1.00 0.00 C ATOM 118 CD LYS A 8 68.169 -4.656 -9.185 1.00 0.00 C ATOM 119 CE LYS A 8 69.493 -4.773 -9.941 1.00 0.00 C ATOM 120 NZ LYS A 8 69.483 -5.958 -10.793 1.00 0.00 N ATOM 0 H LYS A 8 67.035 -2.787 -4.083 1.00 0.00 H new ATOM 0 HA LYS A 8 66.564 -5.250 -5.566 1.00 0.00 H new ATOM 0 HB2 LYS A 8 67.066 -3.316 -7.245 1.00 0.00 H new ATOM 0 HB3 LYS A 8 68.678 -3.314 -6.557 1.00 0.00 H new ATOM 0 HG2 LYS A 8 69.224 -5.405 -7.452 1.00 0.00 H new ATOM 0 HG3 LYS A 8 67.553 -5.926 -7.547 1.00 0.00 H new ATOM 0 HD2 LYS A 8 67.424 -5.268 -9.694 1.00 0.00 H new ATOM 0 HD3 LYS A 8 67.827 -3.623 -9.244 1.00 0.00 H new ATOM 0 HE2 LYS A 8 69.654 -3.882 -10.547 1.00 0.00 H new ATOM 0 HE3 LYS A 8 70.320 -4.831 -9.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 70.387 -6.027 -11.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 69.350 -6.806 -10.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 68.705 -5.886 -11.479 1.00 0.00 H new ATOM 218 N THR A 14 64.901 -8.318 -7.110 1.00 0.00 N ATOM 219 CA THR A 14 64.434 -6.966 -7.388 1.00 0.00 C ATOM 220 C THR A 14 62.928 -6.901 -7.113 1.00 0.00 C ATOM 221 O THR A 14 62.142 -7.626 -7.709 1.00 0.00 O ATOM 222 CB THR A 14 64.714 -6.582 -8.856 1.00 0.00 C ATOM 223 OG1 THR A 14 65.817 -7.305 -9.345 1.00 0.00 O ATOM 224 CG2 THR A 14 64.976 -5.081 -9.003 1.00 0.00 C ATOM 0 HA THR A 14 64.965 -6.263 -6.746 1.00 0.00 H new ATOM 0 HB THR A 14 63.827 -6.832 -9.438 1.00 0.00 H new ATOM 0 HG1 THR A 14 65.938 -8.118 -8.811 1.00 0.00 H new ATOM 0 HG21 THR A 14 65.169 -4.846 -10.050 1.00 0.00 H new ATOM 0 HG22 THR A 14 64.103 -4.524 -8.661 1.00 0.00 H new ATOM 0 HG23 THR A 14 65.842 -4.802 -8.403 1.00 0.00 H new ATOM 232 N PHE A 15 62.586 -5.987 -6.184 1.00 0.00 N ATOM 233 CA PHE A 15 61.198 -5.795 -5.785 1.00 0.00 C ATOM 234 C PHE A 15 60.911 -4.292 -5.660 1.00 0.00 C ATOM 235 O PHE A 15 61.677 -3.457 -6.115 1.00 0.00 O ATOM 236 CB PHE A 15 60.934 -6.584 -4.492 1.00 0.00 C ATOM 237 CG PHE A 15 62.053 -6.473 -3.486 1.00 0.00 C ATOM 238 CD1 PHE A 15 62.266 -5.291 -2.795 1.00 0.00 C ATOM 239 CD2 PHE A 15 62.870 -7.568 -3.213 1.00 0.00 C ATOM 240 CE1 PHE A 15 63.269 -5.212 -1.840 1.00 0.00 C ATOM 241 CE2 PHE A 15 63.873 -7.484 -2.257 1.00 0.00 C ATOM 242 CZ PHE A 15 64.071 -6.301 -1.564 1.00 0.00 C ATOM 0 H PHE A 15 63.252 -5.380 -5.706 1.00 0.00 H new ATOM 0 HA PHE A 15 60.510 -6.182 -6.536 1.00 0.00 H new ATOM 0 HB2 PHE A 15 60.010 -6.226 -4.038 1.00 0.00 H new ATOM 0 HB3 PHE A 15 60.781 -7.634 -4.740 1.00 0.00 H new ATOM 0 HD1 PHE A 15 61.649 -4.429 -3.001 1.00 0.00 H new ATOM 0 HD2 PHE A 15 62.721 -8.492 -3.751 1.00 0.00 H new ATOM 0 HE1 PHE A 15 63.424 -4.286 -1.306 1.00 0.00 H new ATOM 0 HE2 PHE A 15 64.499 -8.341 -2.054 1.00 0.00 H new ATOM 0 HZ PHE A 15 64.846 -6.231 -0.815 1.00 0.00 H new ATOM 252 N LYS A 16 59.748 -4.025 -5.028 1.00 0.00 N ATOM 253 CA LYS A 16 59.249 -2.679 -4.821 1.00 0.00 C ATOM 254 C LYS A 16 58.325 -2.668 -3.602 1.00 0.00 C ATOM 255 O LYS A 16 57.734 -3.678 -3.244 1.00 0.00 O ATOM 256 CB LYS A 16 58.485 -2.201 -6.069 1.00 0.00 C ATOM 257 CG LYS A 16 57.779 -3.296 -6.857 1.00 0.00 C ATOM 258 CD LYS A 16 56.809 -2.686 -7.873 1.00 0.00 C ATOM 259 CE LYS A 16 56.577 -3.617 -9.060 1.00 0.00 C ATOM 260 NZ LYS A 16 55.880 -2.953 -10.151 1.00 0.00 N ATOM 0 H LYS A 16 59.138 -4.751 -4.651 1.00 0.00 H new ATOM 0 HA LYS A 16 60.086 -2.003 -4.648 1.00 0.00 H new ATOM 0 HB2 LYS A 16 57.745 -1.462 -5.761 1.00 0.00 H new ATOM 0 HB3 LYS A 16 59.186 -1.693 -6.732 1.00 0.00 H new ATOM 0 HG2 LYS A 16 58.515 -3.913 -7.373 1.00 0.00 H new ATOM 0 HG3 LYS A 16 57.236 -3.951 -6.175 1.00 0.00 H new ATOM 0 HD2 LYS A 16 55.857 -2.473 -7.386 1.00 0.00 H new ATOM 0 HD3 LYS A 16 57.205 -1.735 -8.228 1.00 0.00 H new ATOM 0 HE2 LYS A 16 57.536 -3.992 -9.418 1.00 0.00 H new ATOM 0 HE3 LYS A 16 55.998 -4.481 -8.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 55.744 -3.623 -10.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 54.954 -2.617 -9.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 56.443 -2.143 -10.481 1.00 0.00 H new ATOM 274 N ILE A 17 58.250 -1.461 -2.995 1.00 0.00 N ATOM 275 CA ILE A 17 57.444 -1.276 -1.791 1.00 0.00 C ATOM 276 C ILE A 17 56.516 -0.080 -1.998 1.00 0.00 C ATOM 277 O ILE A 17 56.758 0.772 -2.836 1.00 0.00 O ATOM 278 CB ILE A 17 58.357 -1.055 -0.580 1.00 0.00 C ATOM 279 CG1 ILE A 17 59.443 -2.140 -0.497 1.00 0.00 C ATOM 280 CG2 ILE A 17 57.551 -0.992 0.714 1.00 0.00 C ATOM 281 CD1 ILE A 17 58.987 -3.548 -0.108 1.00 0.00 C ATOM 0 H ILE A 17 58.732 -0.623 -3.320 1.00 0.00 H new ATOM 0 HA ILE A 17 56.843 -2.166 -1.602 1.00 0.00 H new ATOM 0 HB ILE A 17 58.853 -0.094 -0.713 1.00 0.00 H new ATOM 0 HG12 ILE A 17 59.938 -2.199 -1.466 1.00 0.00 H new ATOM 0 HG13 ILE A 17 60.193 -1.815 0.224 1.00 0.00 H new ATOM 0 HG21 ILE A 17 58.226 -0.835 1.556 1.00 0.00 H new ATOM 0 HG22 ILE A 17 56.840 -0.168 0.660 1.00 0.00 H new ATOM 0 HG23 ILE A 17 57.011 -1.929 0.852 1.00 0.00 H new ATOM 0 HD11 ILE A 17 59.848 -4.216 -0.086 1.00 0.00 H new ATOM 0 HD12 ILE A 17 58.523 -3.521 0.878 1.00 0.00 H new ATOM 0 HD13 ILE A 17 58.264 -3.911 -0.839 1.00 0.00 H new ATOM 293 N ARG A 18 55.443 -0.077 -1.180 1.00 0.00 N ATOM 294 CA ARG A 18 54.465 0.995 -1.199 1.00 0.00 C ATOM 295 C ARG A 18 54.679 1.950 -0.011 1.00 0.00 C ATOM 296 O ARG A 18 53.858 2.038 0.895 1.00 0.00 O ATOM 297 CB ARG A 18 53.075 0.366 -1.106 1.00 0.00 C ATOM 298 CG ARG A 18 51.958 1.390 -1.361 1.00 0.00 C ATOM 299 CD ARG A 18 50.990 1.539 -0.176 1.00 0.00 C ATOM 300 NE ARG A 18 49.613 1.359 -0.615 1.00 0.00 N ATOM 301 CZ ARG A 18 49.055 0.135 -0.755 1.00 0.00 C ATOM 302 NH1 ARG A 18 49.745 -0.976 -0.499 1.00 0.00 N ATOM 303 NH2 ARG A 18 47.792 0.040 -1.154 1.00 0.00 N ATOM 0 H ARG A 18 55.245 -0.813 -0.502 1.00 0.00 H new ATOM 0 HA ARG A 18 54.570 1.571 -2.118 1.00 0.00 H new ATOM 0 HB2 ARG A 18 52.995 -0.444 -1.830 1.00 0.00 H new ATOM 0 HB3 ARG A 18 52.943 -0.075 -0.118 1.00 0.00 H new ATOM 0 HG2 ARG A 18 52.406 2.359 -1.580 1.00 0.00 H new ATOM 0 HG3 ARG A 18 51.396 1.092 -2.246 1.00 0.00 H new ATOM 0 HD2 ARG A 18 51.232 0.805 0.593 1.00 0.00 H new ATOM 0 HD3 ARG A 18 51.108 2.524 0.276 1.00 0.00 H new ATOM 0 HE ARG A 18 49.051 2.184 -0.824 1.00 0.00 H new ATOM 0 HH11 ARG A 18 50.715 -0.914 -0.190 1.00 0.00 H new ATOM 0 HH12 ARG A 18 49.303 -1.888 -0.612 1.00 0.00 H new ATOM 0 HH21 ARG A 18 47.255 0.884 -1.351 1.00 0.00 H new ATOM 0 HH22 ARG A 18 47.359 -0.877 -1.264 1.00 0.00 H new ATOM 317 N MET A 19 55.816 2.667 -0.078 1.00 0.00 N ATOM 318 CA MET A 19 56.126 3.650 0.953 1.00 0.00 C ATOM 319 C MET A 19 55.940 5.060 0.383 1.00 0.00 C ATOM 320 O MET A 19 55.482 5.223 -0.739 1.00 0.00 O ATOM 321 CB MET A 19 57.568 3.452 1.381 1.00 0.00 C ATOM 322 CG MET A 19 58.551 3.825 0.267 1.00 0.00 C ATOM 323 SD MET A 19 59.555 5.232 0.761 1.00 0.00 S ATOM 324 CE MET A 19 60.326 4.481 2.199 1.00 0.00 C ATOM 0 H MET A 19 56.513 2.582 -0.818 1.00 0.00 H new ATOM 0 HA MET A 19 55.464 3.526 1.810 1.00 0.00 H new ATOM 0 HB2 MET A 19 57.771 4.059 2.263 1.00 0.00 H new ATOM 0 HB3 MET A 19 57.722 2.412 1.668 1.00 0.00 H new ATOM 0 HG2 MET A 19 59.193 2.974 0.040 1.00 0.00 H new ATOM 0 HG3 MET A 19 58.004 4.063 -0.645 1.00 0.00 H new ATOM 0 HE1 MET A 19 60.629 5.260 2.898 1.00 0.00 H new ATOM 0 HE2 MET A 19 59.615 3.813 2.686 1.00 0.00 H new ATOM 0 HE3 MET A 19 61.203 3.913 1.887 1.00 0.00 H new ATOM 334 N GLU A 20 56.361 6.049 1.208 1.00 0.00 N ATOM 335 CA GLU A 20 56.236 7.456 0.847 1.00 0.00 C ATOM 336 C GLU A 20 57.630 8.106 0.847 1.00 0.00 C ATOM 337 O GLU A 20 58.434 7.836 1.732 1.00 0.00 O ATOM 338 CB GLU A 20 55.298 8.147 1.853 1.00 0.00 C ATOM 339 CG GLU A 20 54.192 8.978 1.166 1.00 0.00 C ATOM 340 CD GLU A 20 52.828 8.931 1.894 1.00 0.00 C ATOM 341 OE1 GLU A 20 52.645 8.130 2.811 1.00 0.00 O ATOM 342 OE2 GLU A 20 51.948 9.705 1.527 1.00 0.00 O ATOM 0 H GLU A 20 56.786 5.885 2.121 1.00 0.00 H new ATOM 0 HA GLU A 20 55.812 7.560 -0.152 1.00 0.00 H new ATOM 0 HB2 GLU A 20 54.837 7.392 2.490 1.00 0.00 H new ATOM 0 HB3 GLU A 20 55.884 8.797 2.502 1.00 0.00 H new ATOM 0 HG2 GLU A 20 54.520 10.015 1.097 1.00 0.00 H new ATOM 0 HG3 GLU A 20 54.061 8.617 0.146 1.00 0.00 H new ATOM 349 N PRO A 21 57.900 8.994 -0.158 1.00 0.00 N ATOM 350 CA PRO A 21 59.161 9.737 -0.204 1.00 0.00 C ATOM 351 C PRO A 21 59.456 10.650 1.004 1.00 0.00 C ATOM 352 O PRO A 21 60.559 11.146 1.165 1.00 0.00 O ATOM 353 CB PRO A 21 59.049 10.615 -1.461 1.00 0.00 C ATOM 354 CG PRO A 21 57.958 9.967 -2.302 1.00 0.00 C ATOM 355 CD PRO A 21 57.032 9.279 -1.301 1.00 0.00 C ATOM 0 HA PRO A 21 59.978 9.016 -0.201 1.00 0.00 H new ATOM 0 HB2 PRO A 21 58.790 11.642 -1.203 1.00 0.00 H new ATOM 0 HB3 PRO A 21 59.995 10.651 -2.002 1.00 0.00 H new ATOM 0 HG2 PRO A 21 57.419 10.711 -2.889 1.00 0.00 H new ATOM 0 HG3 PRO A 21 58.379 9.249 -3.006 1.00 0.00 H new ATOM 0 HD2 PRO A 21 56.199 9.923 -1.019 1.00 0.00 H new ATOM 0 HD3 PRO A 21 56.604 8.366 -1.715 1.00 0.00 H new ATOM 363 N ASP A 22 58.412 10.834 1.840 1.00 0.00 N ATOM 364 CA ASP A 22 58.524 11.689 3.014 1.00 0.00 C ATOM 365 C ASP A 22 59.039 10.906 4.228 1.00 0.00 C ATOM 366 O ASP A 22 59.700 11.468 5.093 1.00 0.00 O ATOM 367 CB ASP A 22 57.152 12.307 3.331 1.00 0.00 C ATOM 368 CG ASP A 22 56.827 13.507 2.417 1.00 0.00 C ATOM 369 OD1 ASP A 22 57.186 13.484 1.238 1.00 0.00 O ATOM 370 OD2 ASP A 22 56.220 14.461 2.901 1.00 0.00 O ATOM 0 H ASP A 22 57.496 10.402 1.716 1.00 0.00 H new ATOM 0 HA ASP A 22 59.243 12.479 2.796 1.00 0.00 H new ATOM 0 HB2 ASP A 22 56.379 11.547 3.219 1.00 0.00 H new ATOM 0 HB3 ASP A 22 57.133 12.630 4.372 1.00 0.00 H new ATOM 375 N GLU A 23 58.715 9.590 4.242 1.00 0.00 N ATOM 376 CA GLU A 23 59.165 8.723 5.327 1.00 0.00 C ATOM 377 C GLU A 23 60.692 8.723 5.434 1.00 0.00 C ATOM 378 O GLU A 23 61.403 9.108 4.516 1.00 0.00 O ATOM 379 CB GLU A 23 58.660 7.285 5.109 1.00 0.00 C ATOM 380 CG GLU A 23 57.222 7.103 5.616 1.00 0.00 C ATOM 381 CD GLU A 23 57.121 7.046 7.159 1.00 0.00 C ATOM 382 OE1 GLU A 23 58.124 7.247 7.848 1.00 0.00 O ATOM 383 OE2 GLU A 23 56.026 6.793 7.660 1.00 0.00 O ATOM 0 H GLU A 23 58.156 9.126 3.526 1.00 0.00 H new ATOM 0 HA GLU A 23 58.752 9.112 6.258 1.00 0.00 H new ATOM 0 HB2 GLU A 23 58.705 7.041 4.048 1.00 0.00 H new ATOM 0 HB3 GLU A 23 59.319 6.586 5.625 1.00 0.00 H new ATOM 0 HG2 GLU A 23 56.608 7.925 5.248 1.00 0.00 H new ATOM 0 HG3 GLU A 23 56.810 6.185 5.197 1.00 0.00 H new ATOM 390 N THR A 24 61.127 8.277 6.632 1.00 0.00 N ATOM 391 CA THR A 24 62.546 8.256 6.944 1.00 0.00 C ATOM 392 C THR A 24 63.204 6.939 6.541 1.00 0.00 C ATOM 393 O THR A 24 64.256 6.623 7.062 1.00 0.00 O ATOM 394 CB THR A 24 62.813 8.604 8.425 1.00 0.00 C ATOM 395 OG1 THR A 24 61.651 8.426 9.192 1.00 0.00 O ATOM 396 CG2 THR A 24 63.309 10.043 8.583 1.00 0.00 C ATOM 0 H THR A 24 60.519 7.936 7.376 1.00 0.00 H new ATOM 0 HA THR A 24 63.013 9.036 6.343 1.00 0.00 H new ATOM 0 HB THR A 24 63.591 7.928 8.780 1.00 0.00 H new ATOM 0 HG1 THR A 24 61.839 8.649 10.127 1.00 0.00 H new ATOM 0 HG21 THR A 24 63.486 10.253 9.638 1.00 0.00 H new ATOM 0 HG22 THR A 24 64.237 10.171 8.026 1.00 0.00 H new ATOM 0 HG23 THR A 24 62.557 10.731 8.198 1.00 0.00 H new ATOM 404 N VAL A 25 62.599 6.192 5.593 1.00 0.00 N ATOM 405 CA VAL A 25 63.224 4.951 5.119 1.00 0.00 C ATOM 406 C VAL A 25 63.036 3.801 6.119 1.00 0.00 C ATOM 407 O VAL A 25 63.000 2.650 5.726 1.00 0.00 O ATOM 408 CB VAL A 25 64.731 5.085 4.760 1.00 0.00 C ATOM 409 CG1 VAL A 25 65.295 3.828 4.085 1.00 0.00 C ATOM 410 CG2 VAL A 25 65.044 6.323 3.909 1.00 0.00 C ATOM 0 H VAL A 25 61.706 6.421 5.156 1.00 0.00 H new ATOM 0 HA VAL A 25 62.699 4.723 4.192 1.00 0.00 H new ATOM 0 HB VAL A 25 65.231 5.209 5.721 1.00 0.00 H new ATOM 0 HG11 VAL A 25 66.350 3.980 3.857 1.00 0.00 H new ATOM 0 HG12 VAL A 25 65.187 2.975 4.756 1.00 0.00 H new ATOM 0 HG13 VAL A 25 64.749 3.635 3.162 1.00 0.00 H new ATOM 0 HG21 VAL A 25 66.112 6.356 3.694 1.00 0.00 H new ATOM 0 HG22 VAL A 25 64.487 6.272 2.973 1.00 0.00 H new ATOM 0 HG23 VAL A 25 64.755 7.222 4.454 1.00 0.00 H new ATOM 420 N LYS A 26 62.912 4.136 7.422 1.00 0.00 N ATOM 421 CA LYS A 26 62.692 3.108 8.422 1.00 0.00 C ATOM 422 C LYS A 26 61.456 2.280 8.113 1.00 0.00 C ATOM 423 O LYS A 26 61.467 1.065 8.229 1.00 0.00 O ATOM 424 CB LYS A 26 62.551 3.702 9.825 1.00 0.00 C ATOM 425 CG LYS A 26 62.322 2.630 10.903 1.00 0.00 C ATOM 426 CD LYS A 26 63.401 2.598 11.994 1.00 0.00 C ATOM 427 CE LYS A 26 63.427 3.858 12.858 1.00 0.00 C ATOM 428 NZ LYS A 26 62.081 4.312 13.178 1.00 0.00 N ATOM 0 H LYS A 26 62.961 5.088 7.784 1.00 0.00 H new ATOM 0 HA LYS A 26 63.571 2.464 8.394 1.00 0.00 H new ATOM 0 HB2 LYS A 26 63.450 4.269 10.067 1.00 0.00 H new ATOM 0 HB3 LYS A 26 61.718 4.405 9.835 1.00 0.00 H new ATOM 0 HG2 LYS A 26 61.353 2.802 11.371 1.00 0.00 H new ATOM 0 HG3 LYS A 26 62.276 1.652 10.424 1.00 0.00 H new ATOM 0 HD2 LYS A 26 63.235 1.731 12.634 1.00 0.00 H new ATOM 0 HD3 LYS A 26 64.377 2.467 11.526 1.00 0.00 H new ATOM 0 HE2 LYS A 26 63.973 3.658 13.780 1.00 0.00 H new ATOM 0 HE3 LYS A 26 63.964 4.649 12.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 62.115 4.947 14.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 61.684 4.822 12.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 61.481 3.492 13.399 1.00 0.00 H new ATOM 442 N VAL A 27 60.404 3.009 7.698 1.00 0.00 N ATOM 443 CA VAL A 27 59.164 2.332 7.365 1.00 0.00 C ATOM 444 C VAL A 27 59.400 1.271 6.281 1.00 0.00 C ATOM 445 O VAL A 27 58.853 0.184 6.323 1.00 0.00 O ATOM 446 CB VAL A 27 58.090 3.363 6.962 1.00 0.00 C ATOM 447 CG1 VAL A 27 58.004 3.610 5.442 1.00 0.00 C ATOM 448 CG2 VAL A 27 56.720 2.967 7.522 1.00 0.00 C ATOM 0 H VAL A 27 60.395 4.023 7.592 1.00 0.00 H new ATOM 0 HA VAL A 27 58.793 1.804 8.243 1.00 0.00 H new ATOM 0 HB VAL A 27 58.403 4.309 7.404 1.00 0.00 H new ATOM 0 HG11 VAL A 27 57.227 4.346 5.236 1.00 0.00 H new ATOM 0 HG12 VAL A 27 58.962 3.982 5.079 1.00 0.00 H new ATOM 0 HG13 VAL A 27 57.762 2.676 4.935 1.00 0.00 H new ATOM 0 HG21 VAL A 27 55.978 3.708 7.226 1.00 0.00 H new ATOM 0 HG22 VAL A 27 56.435 1.991 7.130 1.00 0.00 H new ATOM 0 HG23 VAL A 27 56.771 2.920 8.610 1.00 0.00 H new ATOM 458 N LEU A 28 60.274 1.664 5.330 1.00 0.00 N ATOM 459 CA LEU A 28 60.604 0.805 4.210 1.00 0.00 C ATOM 460 C LEU A 28 61.290 -0.459 4.663 1.00 0.00 C ATOM 461 O LEU A 28 61.054 -1.536 4.139 1.00 0.00 O ATOM 462 CB LEU A 28 61.589 1.521 3.301 1.00 0.00 C ATOM 463 CG LEU A 28 61.949 0.758 2.048 1.00 0.00 C ATOM 464 CD1 LEU A 28 60.737 0.487 1.186 1.00 0.00 C ATOM 465 CD2 LEU A 28 63.048 1.442 1.256 1.00 0.00 C ATOM 0 H LEU A 28 60.752 2.565 5.329 1.00 0.00 H new ATOM 0 HA LEU A 28 59.670 0.564 3.703 1.00 0.00 H new ATOM 0 HB2 LEU A 28 61.168 2.485 3.016 1.00 0.00 H new ATOM 0 HB3 LEU A 28 62.501 1.725 3.862 1.00 0.00 H new ATOM 0 HG LEU A 28 62.341 -0.206 2.374 1.00 0.00 H new ATOM 0 HD11 LEU A 28 61.040 -0.064 0.295 1.00 0.00 H new ATOM 0 HD12 LEU A 28 60.014 -0.103 1.749 1.00 0.00 H new ATOM 0 HD13 LEU A 28 60.282 1.432 0.891 1.00 0.00 H new ATOM 0 HD21 LEU A 28 63.272 0.856 0.364 1.00 0.00 H new ATOM 0 HD22 LEU A 28 62.718 2.439 0.962 1.00 0.00 H new ATOM 0 HD23 LEU A 28 63.944 1.523 1.872 1.00 0.00 H new ATOM 477 N LYS A 29 62.165 -0.244 5.660 1.00 0.00 N ATOM 478 CA LYS A 29 62.871 -1.355 6.244 1.00 0.00 C ATOM 479 C LYS A 29 61.850 -2.409 6.699 1.00 0.00 C ATOM 480 O LYS A 29 62.014 -3.588 6.451 1.00 0.00 O ATOM 481 CB LYS A 29 63.734 -0.856 7.405 1.00 0.00 C ATOM 482 CG LYS A 29 64.730 0.267 7.067 1.00 0.00 C ATOM 483 CD LYS A 29 66.156 -0.227 6.892 1.00 0.00 C ATOM 484 CE LYS A 29 67.240 0.825 7.172 1.00 0.00 C ATOM 485 NZ LYS A 29 67.923 0.623 8.449 1.00 0.00 N ATOM 0 H LYS A 29 62.384 0.669 6.057 1.00 0.00 H new ATOM 0 HA LYS A 29 63.535 -1.818 5.514 1.00 0.00 H new ATOM 0 HB2 LYS A 29 63.074 -0.504 8.198 1.00 0.00 H new ATOM 0 HB3 LYS A 29 64.292 -1.701 7.807 1.00 0.00 H new ATOM 0 HG2 LYS A 29 64.410 0.764 6.151 1.00 0.00 H new ATOM 0 HG3 LYS A 29 64.707 1.015 7.860 1.00 0.00 H new ATOM 0 HD2 LYS A 29 66.315 -1.078 7.555 1.00 0.00 H new ATOM 0 HD3 LYS A 29 66.277 -0.591 5.872 1.00 0.00 H new ATOM 0 HE2 LYS A 29 67.975 0.803 6.367 1.00 0.00 H new ATOM 0 HE3 LYS A 29 66.786 1.816 7.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 68.039 1.538 8.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 67.359 -0.014 9.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 68.858 0.201 8.280 1.00 0.00 H new ATOM 499 N GLU A 30 60.765 -1.907 7.330 1.00 0.00 N ATOM 500 CA GLU A 30 59.721 -2.781 7.850 1.00 0.00 C ATOM 501 C GLU A 30 59.056 -3.601 6.731 1.00 0.00 C ATOM 502 O GLU A 30 58.773 -4.777 6.904 1.00 0.00 O ATOM 503 CB GLU A 30 58.657 -1.962 8.598 1.00 0.00 C ATOM 504 CG GLU A 30 59.256 -1.041 9.676 1.00 0.00 C ATOM 505 CD GLU A 30 58.221 -0.082 10.295 1.00 0.00 C ATOM 506 OE1 GLU A 30 57.020 -0.316 10.156 1.00 0.00 O ATOM 507 OE2 GLU A 30 58.634 0.901 10.909 1.00 0.00 O ATOM 0 H GLU A 30 60.602 -0.912 7.484 1.00 0.00 H new ATOM 0 HA GLU A 30 60.194 -3.476 8.543 1.00 0.00 H new ATOM 0 HB2 GLU A 30 58.100 -1.359 7.881 1.00 0.00 H new ATOM 0 HB3 GLU A 30 57.944 -2.642 9.064 1.00 0.00 H new ATOM 0 HG2 GLU A 30 59.694 -1.652 10.465 1.00 0.00 H new ATOM 0 HG3 GLU A 30 60.066 -0.458 9.238 1.00 0.00 H new ATOM 514 N LYS A 31 58.837 -2.918 5.587 1.00 0.00 N ATOM 515 CA LYS A 31 58.177 -3.541 4.444 1.00 0.00 C ATOM 516 C LYS A 31 59.048 -4.618 3.780 1.00 0.00 C ATOM 517 O LYS A 31 58.634 -5.757 3.642 1.00 0.00 O ATOM 518 CB LYS A 31 57.838 -2.470 3.410 1.00 0.00 C ATOM 519 CG LYS A 31 56.452 -1.836 3.588 1.00 0.00 C ATOM 520 CD LYS A 31 56.239 -1.274 4.986 1.00 0.00 C ATOM 521 CE LYS A 31 55.012 -0.371 5.083 1.00 0.00 C ATOM 522 NZ LYS A 31 55.286 0.982 4.612 1.00 0.00 N ATOM 0 H LYS A 31 59.108 -1.946 5.441 1.00 0.00 H new ATOM 0 HA LYS A 31 57.273 -4.025 4.814 1.00 0.00 H new ATOM 0 HB2 LYS A 31 58.592 -1.685 3.457 1.00 0.00 H new ATOM 0 HB3 LYS A 31 57.898 -2.911 2.415 1.00 0.00 H new ATOM 0 HG2 LYS A 31 56.325 -1.038 2.857 1.00 0.00 H new ATOM 0 HG3 LYS A 31 55.686 -2.583 3.380 1.00 0.00 H new ATOM 0 HD2 LYS A 31 56.134 -2.098 5.691 1.00 0.00 H new ATOM 0 HD3 LYS A 31 57.123 -0.710 5.284 1.00 0.00 H new ATOM 0 HE2 LYS A 31 54.199 -0.800 4.497 1.00 0.00 H new ATOM 0 HE3 LYS A 31 54.672 -0.332 6.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 54.884 1.670 5.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 56.314 1.125 4.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 54.856 1.117 3.675 1.00 0.00 H new ATOM 536 N ILE A 32 60.258 -4.190 3.360 1.00 0.00 N ATOM 537 CA ILE A 32 61.226 -5.084 2.728 1.00 0.00 C ATOM 538 C ILE A 32 61.530 -6.296 3.611 1.00 0.00 C ATOM 539 O ILE A 32 61.669 -7.413 3.134 1.00 0.00 O ATOM 540 CB ILE A 32 62.523 -4.310 2.429 1.00 0.00 C ATOM 541 CG1 ILE A 32 62.302 -3.358 1.270 1.00 0.00 C ATOM 542 CG2 ILE A 32 63.699 -5.226 2.088 1.00 0.00 C ATOM 543 CD1 ILE A 32 63.261 -2.179 1.272 1.00 0.00 C ATOM 0 H ILE A 32 60.579 -3.226 3.452 1.00 0.00 H new ATOM 0 HA ILE A 32 60.794 -5.452 1.797 1.00 0.00 H new ATOM 0 HB ILE A 32 62.774 -3.766 3.340 1.00 0.00 H new ATOM 0 HG12 ILE A 32 62.411 -3.905 0.333 1.00 0.00 H new ATOM 0 HG13 ILE A 32 61.278 -2.985 1.305 1.00 0.00 H new ATOM 0 HG21 ILE A 32 64.584 -4.622 1.887 1.00 0.00 H new ATOM 0 HG22 ILE A 32 63.897 -5.892 2.928 1.00 0.00 H new ATOM 0 HG23 ILE A 32 63.455 -5.818 1.205 1.00 0.00 H new ATOM 0 HD11 ILE A 32 63.050 -1.537 0.417 1.00 0.00 H new ATOM 0 HD12 ILE A 32 63.136 -1.610 2.193 1.00 0.00 H new ATOM 0 HD13 ILE A 32 64.286 -2.544 1.207 1.00 0.00 H new ATOM 555 N GLU A 33 61.625 -5.994 4.918 1.00 0.00 N ATOM 556 CA GLU A 33 61.885 -7.033 5.896 1.00 0.00 C ATOM 557 C GLU A 33 60.670 -7.953 6.043 1.00 0.00 C ATOM 558 O GLU A 33 60.795 -9.126 6.339 1.00 0.00 O ATOM 559 CB GLU A 33 62.208 -6.408 7.258 1.00 0.00 C ATOM 560 CG GLU A 33 62.984 -7.349 8.178 1.00 0.00 C ATOM 561 CD GLU A 33 62.240 -7.740 9.456 1.00 0.00 C ATOM 562 OE1 GLU A 33 61.351 -8.586 9.385 1.00 0.00 O ATOM 563 OE2 GLU A 33 62.571 -7.201 10.512 1.00 0.00 O ATOM 0 H GLU A 33 61.526 -5.055 5.303 1.00 0.00 H new ATOM 0 HA GLU A 33 62.737 -7.618 5.549 1.00 0.00 H new ATOM 0 HB2 GLU A 33 62.788 -5.498 7.105 1.00 0.00 H new ATOM 0 HB3 GLU A 33 61.279 -6.115 7.747 1.00 0.00 H new ATOM 0 HG2 GLU A 33 63.232 -8.255 7.625 1.00 0.00 H new ATOM 0 HG3 GLU A 33 63.926 -6.874 8.452 1.00 0.00 H new ATOM 570 N ALA A 34 59.482 -7.361 5.818 1.00 0.00 N ATOM 571 CA ALA A 34 58.258 -8.148 5.874 1.00 0.00 C ATOM 572 C ALA A 34 58.112 -9.064 4.646 1.00 0.00 C ATOM 573 O ALA A 34 57.488 -10.116 4.709 1.00 0.00 O ATOM 574 CB ALA A 34 57.045 -7.222 5.974 1.00 0.00 C ATOM 0 H ALA A 34 59.354 -6.372 5.603 1.00 0.00 H new ATOM 0 HA ALA A 34 58.313 -8.781 6.760 1.00 0.00 H new ATOM 0 HB1 ALA A 34 56.134 -7.819 6.015 1.00 0.00 H new ATOM 0 HB2 ALA A 34 57.123 -6.616 6.877 1.00 0.00 H new ATOM 0 HB3 ALA A 34 57.012 -6.570 5.101 1.00 0.00 H new ATOM 580 N GLU A 35 58.728 -8.603 3.537 1.00 0.00 N ATOM 581 CA GLU A 35 58.705 -9.361 2.298 1.00 0.00 C ATOM 582 C GLU A 35 59.629 -10.577 2.426 1.00 0.00 C ATOM 583 O GLU A 35 59.264 -11.691 2.071 1.00 0.00 O ATOM 584 CB GLU A 35 59.135 -8.439 1.151 1.00 0.00 C ATOM 585 CG GLU A 35 59.512 -9.186 -0.141 1.00 0.00 C ATOM 586 CD GLU A 35 60.371 -8.291 -1.018 1.00 0.00 C ATOM 587 OE1 GLU A 35 61.402 -7.819 -0.538 1.00 0.00 O ATOM 588 OE2 GLU A 35 59.993 -8.084 -2.165 1.00 0.00 O ATOM 0 H GLU A 35 59.237 -7.720 3.488 1.00 0.00 H new ATOM 0 HA GLU A 35 57.701 -9.729 2.088 1.00 0.00 H new ATOM 0 HB2 GLU A 35 58.325 -7.743 0.934 1.00 0.00 H new ATOM 0 HB3 GLU A 35 59.988 -7.843 1.477 1.00 0.00 H new ATOM 0 HG2 GLU A 35 60.053 -10.101 0.101 1.00 0.00 H new ATOM 0 HG3 GLU A 35 58.611 -9.481 -0.678 1.00 0.00 H new ATOM 595 N LYS A 36 60.846 -10.282 2.930 1.00 0.00 N ATOM 596 CA LYS A 36 61.876 -11.301 3.005 1.00 0.00 C ATOM 597 C LYS A 36 61.932 -11.928 4.401 1.00 0.00 C ATOM 598 O LYS A 36 61.654 -13.106 4.583 1.00 0.00 O ATOM 599 CB LYS A 36 63.220 -10.704 2.577 1.00 0.00 C ATOM 600 CG LYS A 36 63.844 -11.440 1.377 1.00 0.00 C ATOM 601 CD LYS A 36 63.772 -12.967 1.416 1.00 0.00 C ATOM 602 CE LYS A 36 62.676 -13.494 0.482 1.00 0.00 C ATOM 603 NZ LYS A 36 63.125 -14.634 -0.295 1.00 0.00 N ATOM 0 H LYS A 36 61.121 -9.364 3.280 1.00 0.00 H new ATOM 0 HA LYS A 36 61.634 -12.111 2.317 1.00 0.00 H new ATOM 0 HB2 LYS A 36 63.081 -9.654 2.321 1.00 0.00 H new ATOM 0 HB3 LYS A 36 63.912 -10.738 3.418 1.00 0.00 H new ATOM 0 HG2 LYS A 36 63.350 -11.096 0.468 1.00 0.00 H new ATOM 0 HG3 LYS A 36 64.891 -11.147 1.301 1.00 0.00 H new ATOM 0 HD2 LYS A 36 64.735 -13.387 1.125 1.00 0.00 H new ATOM 0 HD3 LYS A 36 63.575 -13.299 2.436 1.00 0.00 H new ATOM 0 HE2 LYS A 36 61.804 -13.778 1.071 1.00 0.00 H new ATOM 0 HE3 LYS A 36 62.360 -12.698 -0.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 62.354 -14.959 -0.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 63.942 -14.358 -0.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 63.402 -15.404 0.347 1.00 0.00 H new ATOM 617 N GLY A 37 62.320 -11.065 5.358 1.00 0.00 N ATOM 618 CA GLY A 37 62.407 -11.466 6.753 1.00 0.00 C ATOM 619 C GLY A 37 63.602 -10.780 7.400 1.00 0.00 C ATOM 620 O GLY A 37 64.390 -10.107 6.750 1.00 0.00 O ATOM 0 H GLY A 37 62.575 -10.093 5.181 1.00 0.00 H new ATOM 0 HA2 GLY A 37 61.491 -11.197 7.278 1.00 0.00 H new ATOM 0 HA3 GLY A 37 62.511 -12.549 6.826 1.00 0.00 H new ATOM 624 N ARG A 38 63.685 -11.009 8.726 1.00 0.00 N ATOM 625 CA ARG A 38 64.790 -10.480 9.519 1.00 0.00 C ATOM 626 C ARG A 38 66.118 -11.214 9.243 1.00 0.00 C ATOM 627 O ARG A 38 67.169 -10.820 9.727 1.00 0.00 O ATOM 628 CB ARG A 38 64.437 -10.575 11.009 1.00 0.00 C ATOM 629 CG ARG A 38 64.083 -12.001 11.478 1.00 0.00 C ATOM 630 CD ARG A 38 62.780 -12.049 12.297 1.00 0.00 C ATOM 631 NE ARG A 38 62.979 -12.707 13.581 1.00 0.00 N ATOM 632 CZ ARG A 38 63.643 -12.109 14.597 1.00 0.00 C ATOM 633 NH1 ARG A 38 64.168 -10.892 14.459 1.00 0.00 N ATOM 634 NH2 ARG A 38 63.773 -12.749 15.753 1.00 0.00 N ATOM 0 H ARG A 38 63.004 -11.552 9.257 1.00 0.00 H new ATOM 0 HA ARG A 38 64.936 -9.439 9.231 1.00 0.00 H new ATOM 0 HB2 ARG A 38 65.279 -10.209 11.596 1.00 0.00 H new ATOM 0 HB3 ARG A 38 63.594 -9.916 11.215 1.00 0.00 H new ATOM 0 HG2 ARG A 38 63.986 -12.652 10.609 1.00 0.00 H new ATOM 0 HG3 ARG A 38 64.901 -12.395 12.081 1.00 0.00 H new ATOM 0 HD2 ARG A 38 62.414 -11.035 12.460 1.00 0.00 H new ATOM 0 HD3 ARG A 38 62.013 -12.578 11.731 1.00 0.00 H new ATOM 0 HE ARG A 38 62.607 -13.647 13.718 1.00 0.00 H new ATOM 0 HH11 ARG A 38 64.073 -10.393 13.575 1.00 0.00 H new ATOM 0 HH12 ARG A 38 64.665 -10.460 15.238 1.00 0.00 H new ATOM 0 HH21 ARG A 38 63.375 -13.681 15.868 1.00 0.00 H new ATOM 0 HH22 ARG A 38 64.271 -12.309 16.526 1.00 0.00 H new ATOM 648 N ASP A 39 66.015 -12.299 8.447 1.00 0.00 N ATOM 649 CA ASP A 39 67.192 -13.075 8.084 1.00 0.00 C ATOM 650 C ASP A 39 67.753 -12.599 6.746 1.00 0.00 C ATOM 651 O ASP A 39 68.960 -12.589 6.531 1.00 0.00 O ATOM 652 CB ASP A 39 66.820 -14.570 8.016 1.00 0.00 C ATOM 653 CG ASP A 39 67.479 -15.357 9.163 1.00 0.00 C ATOM 654 OD1 ASP A 39 68.702 -15.293 9.295 1.00 0.00 O ATOM 655 OD2 ASP A 39 66.766 -16.025 9.910 1.00 0.00 O ATOM 0 H ASP A 39 65.139 -12.644 8.055 1.00 0.00 H new ATOM 0 HA ASP A 39 67.963 -12.934 8.842 1.00 0.00 H new ATOM 0 HB2 ASP A 39 65.737 -14.681 8.069 1.00 0.00 H new ATOM 0 HB3 ASP A 39 67.136 -14.984 7.058 1.00 0.00 H new ATOM 660 N ALA A 40 66.813 -12.214 5.862 1.00 0.00 N ATOM 661 CA ALA A 40 67.229 -11.765 4.548 1.00 0.00 C ATOM 662 C ALA A 40 67.683 -10.304 4.629 1.00 0.00 C ATOM 663 O ALA A 40 68.827 -9.986 4.333 1.00 0.00 O ATOM 664 CB ALA A 40 66.097 -11.974 3.551 1.00 0.00 C ATOM 0 H ALA A 40 65.808 -12.208 6.034 1.00 0.00 H new ATOM 0 HA ALA A 40 68.078 -12.351 4.196 1.00 0.00 H new ATOM 0 HB1 ALA A 40 66.414 -11.635 2.565 1.00 0.00 H new ATOM 0 HB2 ALA A 40 65.842 -13.033 3.507 1.00 0.00 H new ATOM 0 HB3 ALA A 40 65.224 -11.404 3.867 1.00 0.00 H new ATOM 670 N PHE A 41 66.716 -9.448 5.038 1.00 0.00 N ATOM 671 CA PHE A 41 66.957 -8.013 5.126 1.00 0.00 C ATOM 672 C PHE A 41 66.368 -7.511 6.460 1.00 0.00 C ATOM 673 O PHE A 41 65.261 -6.990 6.489 1.00 0.00 O ATOM 674 CB PHE A 41 66.326 -7.246 3.943 1.00 0.00 C ATOM 675 CG PHE A 41 66.383 -7.954 2.628 1.00 0.00 C ATOM 676 CD1 PHE A 41 67.583 -8.439 2.128 1.00 0.00 C ATOM 677 CD2 PHE A 41 65.218 -8.146 1.902 1.00 0.00 C ATOM 678 CE1 PHE A 41 67.600 -9.192 0.968 1.00 0.00 C ATOM 679 CE2 PHE A 41 65.240 -8.840 0.711 1.00 0.00 C ATOM 680 CZ PHE A 41 66.422 -9.403 0.268 1.00 0.00 C ATOM 0 H PHE A 41 65.775 -9.736 5.307 1.00 0.00 H new ATOM 0 HA PHE A 41 68.031 -7.831 5.082 1.00 0.00 H new ATOM 0 HB2 PHE A 41 65.283 -7.036 4.181 1.00 0.00 H new ATOM 0 HB3 PHE A 41 66.830 -6.285 3.843 1.00 0.00 H new ATOM 0 HD1 PHE A 41 68.507 -8.228 2.646 1.00 0.00 H new ATOM 0 HD2 PHE A 41 64.285 -7.748 2.273 1.00 0.00 H new ATOM 0 HE1 PHE A 41 68.527 -9.614 0.609 1.00 0.00 H new ATOM 0 HE2 PHE A 41 64.338 -8.943 0.127 1.00 0.00 H new ATOM 0 HZ PHE A 41 66.428 -10.009 -0.626 1.00 0.00 H new ATOM 690 N PRO A 42 67.137 -7.666 7.575 1.00 0.00 N ATOM 691 CA PRO A 42 66.735 -7.124 8.872 1.00 0.00 C ATOM 692 C PRO A 42 66.889 -5.612 8.855 1.00 0.00 C ATOM 693 O PRO A 42 67.962 -5.116 8.537 1.00 0.00 O ATOM 694 CB PRO A 42 67.734 -7.706 9.868 1.00 0.00 C ATOM 695 CG PRO A 42 68.964 -8.055 9.024 1.00 0.00 C ATOM 696 CD PRO A 42 68.430 -8.343 7.618 1.00 0.00 C ATOM 0 HA PRO A 42 65.701 -7.367 9.118 1.00 0.00 H new ATOM 0 HB2 PRO A 42 67.980 -6.986 10.649 1.00 0.00 H new ATOM 0 HB3 PRO A 42 67.330 -8.589 10.364 1.00 0.00 H new ATOM 0 HG2 PRO A 42 69.677 -7.231 9.011 1.00 0.00 H new ATOM 0 HG3 PRO A 42 69.485 -8.922 9.431 1.00 0.00 H new ATOM 0 HD2 PRO A 42 69.104 -7.961 6.851 1.00 0.00 H new ATOM 0 HD3 PRO A 42 68.324 -9.414 7.445 1.00 0.00 H new ATOM 704 N VAL A 43 65.771 -4.917 9.185 1.00 0.00 N ATOM 705 CA VAL A 43 65.718 -3.453 9.226 1.00 0.00 C ATOM 706 C VAL A 43 66.972 -2.793 9.831 1.00 0.00 C ATOM 707 O VAL A 43 67.365 -1.701 9.462 1.00 0.00 O ATOM 708 CB VAL A 43 64.475 -2.969 9.997 1.00 0.00 C ATOM 709 CG1 VAL A 43 63.175 -3.404 9.317 1.00 0.00 C ATOM 710 CG2 VAL A 43 64.491 -3.393 11.468 1.00 0.00 C ATOM 0 H VAL A 43 64.888 -5.365 9.428 1.00 0.00 H new ATOM 0 HA VAL A 43 65.666 -3.144 8.182 1.00 0.00 H new ATOM 0 HB VAL A 43 64.515 -1.880 9.977 1.00 0.00 H new ATOM 0 HG11 VAL A 43 62.324 -3.042 9.894 1.00 0.00 H new ATOM 0 HG12 VAL A 43 63.134 -2.989 8.310 1.00 0.00 H new ATOM 0 HG13 VAL A 43 63.139 -4.492 9.262 1.00 0.00 H new ATOM 0 HG21 VAL A 43 63.592 -3.025 11.962 1.00 0.00 H new ATOM 0 HG22 VAL A 43 64.522 -4.481 11.533 1.00 0.00 H new ATOM 0 HG23 VAL A 43 65.371 -2.976 11.957 1.00 0.00 H new ATOM 720 N ALA A 44 67.585 -3.532 10.771 1.00 0.00 N ATOM 721 CA ALA A 44 68.829 -3.104 11.379 1.00 0.00 C ATOM 722 C ALA A 44 69.912 -2.796 10.319 1.00 0.00 C ATOM 723 O ALA A 44 70.337 -1.658 10.162 1.00 0.00 O ATOM 724 CB ALA A 44 69.274 -4.183 12.377 1.00 0.00 C ATOM 0 H ALA A 44 67.231 -4.424 11.117 1.00 0.00 H new ATOM 0 HA ALA A 44 68.674 -2.167 11.913 1.00 0.00 H new ATOM 0 HB1 ALA A 44 70.210 -3.880 12.847 1.00 0.00 H new ATOM 0 HB2 ALA A 44 68.508 -4.309 13.142 1.00 0.00 H new ATOM 0 HB3 ALA A 44 69.420 -5.127 11.851 1.00 0.00 H new ATOM 730 N GLY A 45 70.312 -3.871 9.603 1.00 0.00 N ATOM 731 CA GLY A 45 71.356 -3.755 8.594 1.00 0.00 C ATOM 732 C GLY A 45 70.803 -3.616 7.174 1.00 0.00 C ATOM 733 O GLY A 45 71.502 -3.897 6.214 1.00 0.00 O ATOM 0 H GLY A 45 69.927 -4.809 9.712 1.00 0.00 H new ATOM 0 HA2 GLY A 45 71.979 -2.890 8.822 1.00 0.00 H new ATOM 0 HA3 GLY A 45 72.000 -4.633 8.643 1.00 0.00 H new ATOM 737 N GLN A 46 69.534 -3.168 7.076 1.00 0.00 N ATOM 738 CA GLN A 46 68.911 -2.977 5.771 1.00 0.00 C ATOM 739 C GLN A 46 69.311 -1.625 5.185 1.00 0.00 C ATOM 740 O GLN A 46 68.489 -0.744 5.039 1.00 0.00 O ATOM 741 CB GLN A 46 67.392 -3.031 5.920 1.00 0.00 C ATOM 742 CG GLN A 46 66.754 -4.403 5.764 1.00 0.00 C ATOM 743 CD GLN A 46 65.612 -4.312 4.756 1.00 0.00 C ATOM 744 OE1 GLN A 46 65.823 -3.975 3.605 1.00 0.00 O ATOM 745 NE2 GLN A 46 64.409 -4.616 5.250 1.00 0.00 N ATOM 0 H GLN A 46 68.940 -2.939 7.873 1.00 0.00 H new ATOM 0 HA GLN A 46 69.247 -3.769 5.101 1.00 0.00 H new ATOM 0 HB2 GLN A 46 67.129 -2.640 6.903 1.00 0.00 H new ATOM 0 HB3 GLN A 46 66.951 -2.361 5.182 1.00 0.00 H new ATOM 0 HG2 GLN A 46 67.496 -5.126 5.427 1.00 0.00 H new ATOM 0 HG3 GLN A 46 66.380 -4.755 6.725 1.00 0.00 H new ATOM 0 HE21 GLN A 46 64.314 -4.890 6.228 1.00 0.00 H new ATOM 0 HE22 GLN A 46 63.586 -4.574 4.649 1.00 0.00 H new ATOM 754 N LYS A 47 70.598 -1.507 4.829 1.00 0.00 N ATOM 755 CA LYS A 47 71.075 -0.290 4.192 1.00 0.00 C ATOM 756 C LYS A 47 70.612 -0.278 2.740 1.00 0.00 C ATOM 757 O LYS A 47 70.300 -1.314 2.180 1.00 0.00 O ATOM 758 CB LYS A 47 72.602 -0.264 4.257 1.00 0.00 C ATOM 759 CG LYS A 47 73.114 0.073 5.651 1.00 0.00 C ATOM 760 CD LYS A 47 72.809 1.532 6.015 1.00 0.00 C ATOM 761 CE LYS A 47 74.065 2.339 6.343 1.00 0.00 C ATOM 762 NZ LYS A 47 74.428 2.258 7.747 1.00 0.00 N ATOM 0 H LYS A 47 71.307 -2.227 4.971 1.00 0.00 H new ATOM 0 HA LYS A 47 70.678 0.588 4.702 1.00 0.00 H new ATOM 0 HB2 LYS A 47 72.993 -1.235 3.953 1.00 0.00 H new ATOM 0 HB3 LYS A 47 72.982 0.469 3.545 1.00 0.00 H new ATOM 0 HG2 LYS A 47 72.652 -0.591 6.382 1.00 0.00 H new ATOM 0 HG3 LYS A 47 74.189 -0.099 5.698 1.00 0.00 H new ATOM 0 HD2 LYS A 47 72.285 2.006 5.185 1.00 0.00 H new ATOM 0 HD3 LYS A 47 72.135 1.554 6.872 1.00 0.00 H new ATOM 0 HE2 LYS A 47 74.894 1.977 5.735 1.00 0.00 H new ATOM 0 HE3 LYS A 47 73.903 3.382 6.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 75.285 2.822 7.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 73.649 2.628 8.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 74.610 1.266 8.002 1.00 0.00 H new ATOM 776 N LEU A 48 70.546 0.954 2.198 1.00 0.00 N ATOM 777 CA LEU A 48 70.070 1.167 0.837 1.00 0.00 C ATOM 778 C LEU A 48 71.056 2.118 0.153 1.00 0.00 C ATOM 779 O LEU A 48 71.663 2.935 0.827 1.00 0.00 O ATOM 780 CB LEU A 48 68.647 1.737 0.881 1.00 0.00 C ATOM 781 CG LEU A 48 67.550 0.717 1.212 1.00 0.00 C ATOM 782 CD1 LEU A 48 67.334 0.649 2.722 1.00 0.00 C ATOM 783 CD2 LEU A 48 66.211 1.079 0.591 1.00 0.00 C ATOM 0 H LEU A 48 70.817 1.807 2.688 1.00 0.00 H new ATOM 0 HA LEU A 48 70.023 0.237 0.270 1.00 0.00 H new ATOM 0 HB2 LEU A 48 68.615 2.536 1.622 1.00 0.00 H new ATOM 0 HB3 LEU A 48 68.423 2.189 -0.085 1.00 0.00 H new ATOM 0 HG LEU A 48 67.891 -0.236 0.807 1.00 0.00 H new ATOM 0 HD11 LEU A 48 66.553 -0.078 2.945 1.00 0.00 H new ATOM 0 HD12 LEU A 48 68.261 0.347 3.209 1.00 0.00 H new ATOM 0 HD13 LEU A 48 67.033 1.629 3.091 1.00 0.00 H new ATOM 0 HD21 LEU A 48 65.471 0.324 0.857 1.00 0.00 H new ATOM 0 HD22 LEU A 48 65.888 2.051 0.964 1.00 0.00 H new ATOM 0 HD23 LEU A 48 66.313 1.122 -0.493 1.00 0.00 H new ATOM 795 N ILE A 49 71.217 1.958 -1.192 1.00 0.00 N ATOM 796 CA ILE A 49 72.200 2.753 -1.943 1.00 0.00 C ATOM 797 C ILE A 49 71.580 3.460 -3.157 1.00 0.00 C ATOM 798 O ILE A 49 71.184 2.811 -4.116 1.00 0.00 O ATOM 799 CB ILE A 49 73.385 1.907 -2.477 1.00 0.00 C ATOM 800 CG1 ILE A 49 73.763 0.729 -1.580 1.00 0.00 C ATOM 801 CG2 ILE A 49 74.619 2.776 -2.758 1.00 0.00 C ATOM 802 CD1 ILE A 49 74.004 1.139 -0.140 1.00 0.00 C ATOM 0 H ILE A 49 70.685 1.297 -1.758 1.00 0.00 H new ATOM 0 HA ILE A 49 72.559 3.482 -1.216 1.00 0.00 H new ATOM 0 HB ILE A 49 73.026 1.481 -3.414 1.00 0.00 H new ATOM 0 HG12 ILE A 49 72.968 -0.016 -1.612 1.00 0.00 H new ATOM 0 HG13 ILE A 49 74.662 0.253 -1.973 1.00 0.00 H new ATOM 0 HG21 ILE A 49 75.429 2.149 -3.131 1.00 0.00 H new ATOM 0 HG22 ILE A 49 74.371 3.530 -3.505 1.00 0.00 H new ATOM 0 HG23 ILE A 49 74.935 3.268 -1.838 1.00 0.00 H new ATOM 0 HD11 ILE A 49 74.269 0.261 0.449 1.00 0.00 H new ATOM 0 HD12 ILE A 49 74.818 1.862 -0.099 1.00 0.00 H new ATOM 0 HD13 ILE A 49 73.098 1.589 0.267 1.00 0.00 H new ATOM 814 N TYR A 50 71.531 4.810 -3.069 1.00 0.00 N ATOM 815 CA TYR A 50 70.924 5.612 -4.125 1.00 0.00 C ATOM 816 C TYR A 50 71.970 6.550 -4.708 1.00 0.00 C ATOM 817 O TYR A 50 72.459 7.442 -4.031 1.00 0.00 O ATOM 818 CB TYR A 50 69.774 6.451 -3.556 1.00 0.00 C ATOM 819 CG TYR A 50 68.804 6.830 -4.639 1.00 0.00 C ATOM 820 CD1 TYR A 50 67.725 6.010 -4.934 1.00 0.00 C ATOM 821 CD2 TYR A 50 68.962 8.009 -5.355 1.00 0.00 C ATOM 822 CE1 TYR A 50 66.798 6.370 -5.886 1.00 0.00 C ATOM 823 CE2 TYR A 50 68.030 8.378 -6.317 1.00 0.00 C ATOM 824 CZ TYR A 50 66.942 7.565 -6.569 1.00 0.00 C ATOM 825 OH TYR A 50 65.998 7.962 -7.487 1.00 0.00 O ATOM 0 H TYR A 50 71.902 5.348 -2.286 1.00 0.00 H new ATOM 0 HA TYR A 50 70.540 4.946 -4.898 1.00 0.00 H new ATOM 0 HB2 TYR A 50 69.257 5.888 -2.779 1.00 0.00 H new ATOM 0 HB3 TYR A 50 70.172 7.351 -3.087 1.00 0.00 H new ATOM 0 HD1 TYR A 50 67.610 5.074 -4.408 1.00 0.00 H new ATOM 0 HD2 TYR A 50 69.815 8.643 -5.163 1.00 0.00 H new ATOM 0 HE1 TYR A 50 65.961 5.722 -6.099 1.00 0.00 H new ATOM 0 HE2 TYR A 50 68.156 9.299 -6.867 1.00 0.00 H new ATOM 0 HH TYR A 50 65.222 8.334 -7.018 1.00 0.00 H new ATOM 835 N ALA A 51 72.262 6.315 -6.003 1.00 0.00 N ATOM 836 CA ALA A 51 73.219 7.155 -6.718 1.00 0.00 C ATOM 837 C ALA A 51 74.655 6.951 -6.186 1.00 0.00 C ATOM 838 O ALA A 51 75.468 7.867 -6.176 1.00 0.00 O ATOM 839 CB ALA A 51 72.792 8.642 -6.681 1.00 0.00 C ATOM 0 H ALA A 51 71.853 5.563 -6.559 1.00 0.00 H new ATOM 0 HA ALA A 51 73.221 6.846 -7.763 1.00 0.00 H new ATOM 0 HB1 ALA A 51 73.523 9.244 -7.221 1.00 0.00 H new ATOM 0 HB2 ALA A 51 71.814 8.752 -7.150 1.00 0.00 H new ATOM 0 HB3 ALA A 51 72.738 8.979 -5.646 1.00 0.00 H new ATOM 845 N GLY A 52 74.907 5.704 -5.722 1.00 0.00 N ATOM 846 CA GLY A 52 76.208 5.383 -5.144 1.00 0.00 C ATOM 847 C GLY A 52 76.345 5.792 -3.659 1.00 0.00 C ATOM 848 O GLY A 52 77.314 5.431 -3.003 1.00 0.00 O ATOM 0 H GLY A 52 74.240 4.933 -5.740 1.00 0.00 H new ATOM 0 HA2 GLY A 52 76.381 4.311 -5.234 1.00 0.00 H new ATOM 0 HA3 GLY A 52 76.986 5.881 -5.722 1.00 0.00 H new ATOM 852 N LYS A 53 75.339 6.554 -3.169 1.00 0.00 N ATOM 853 CA LYS A 53 75.302 7.025 -1.783 1.00 0.00 C ATOM 854 C LYS A 53 74.560 6.005 -0.931 1.00 0.00 C ATOM 855 O LYS A 53 73.901 5.146 -1.472 1.00 0.00 O ATOM 856 CB LYS A 53 74.541 8.356 -1.741 1.00 0.00 C ATOM 857 CG LYS A 53 75.474 9.552 -1.611 1.00 0.00 C ATOM 858 CD LYS A 53 74.870 10.822 -2.223 1.00 0.00 C ATOM 859 CE LYS A 53 75.951 11.757 -2.778 1.00 0.00 C ATOM 860 NZ LYS A 53 75.727 12.077 -4.182 1.00 0.00 N ATOM 0 H LYS A 53 74.539 6.853 -3.727 1.00 0.00 H new ATOM 0 HA LYS A 53 76.315 7.156 -1.403 1.00 0.00 H new ATOM 0 HB2 LYS A 53 73.945 8.460 -2.648 1.00 0.00 H new ATOM 0 HB3 LYS A 53 73.845 8.348 -0.902 1.00 0.00 H new ATOM 0 HG2 LYS A 53 75.695 9.727 -0.558 1.00 0.00 H new ATOM 0 HG3 LYS A 53 76.421 9.328 -2.102 1.00 0.00 H new ATOM 0 HD2 LYS A 53 74.181 10.548 -3.022 1.00 0.00 H new ATOM 0 HD3 LYS A 53 74.288 11.348 -1.467 1.00 0.00 H new ATOM 0 HE2 LYS A 53 75.969 12.678 -2.195 1.00 0.00 H new ATOM 0 HE3 LYS A 53 76.929 11.289 -2.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 76.480 12.711 -4.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 75.736 11.201 -4.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 74.805 12.547 -4.288 1.00 0.00 H new ATOM 874 N ILE A 54 74.686 6.153 0.406 1.00 0.00 N ATOM 875 CA ILE A 54 74.040 5.252 1.367 1.00 0.00 C ATOM 876 C ILE A 54 72.928 6.015 2.088 1.00 0.00 C ATOM 877 O ILE A 54 72.987 7.222 2.224 1.00 0.00 O ATOM 878 CB ILE A 54 75.089 4.733 2.380 1.00 0.00 C ATOM 879 CG1 ILE A 54 75.638 3.363 1.949 1.00 0.00 C ATOM 880 CG2 ILE A 54 74.603 4.681 3.847 1.00 0.00 C ATOM 881 CD1 ILE A 54 74.794 2.197 2.489 1.00 0.00 C ATOM 0 H ILE A 54 75.235 6.895 0.840 1.00 0.00 H new ATOM 0 HA ILE A 54 73.610 4.395 0.848 1.00 0.00 H new ATOM 0 HB ILE A 54 75.888 5.474 2.362 1.00 0.00 H new ATOM 0 HG12 ILE A 54 75.668 3.313 0.861 1.00 0.00 H new ATOM 0 HG13 ILE A 54 76.664 3.259 2.301 1.00 0.00 H new ATOM 0 HG21 ILE A 54 75.405 4.305 4.483 1.00 0.00 H new ATOM 0 HG22 ILE A 54 74.321 5.682 4.173 1.00 0.00 H new ATOM 0 HG23 ILE A 54 73.740 4.019 3.921 1.00 0.00 H new ATOM 0 HD11 ILE A 54 75.224 1.252 2.156 1.00 0.00 H new ATOM 0 HD12 ILE A 54 74.785 2.228 3.579 1.00 0.00 H new ATOM 0 HD13 ILE A 54 73.774 2.283 2.115 1.00 0.00 H new ATOM 893 N LEU A 55 71.951 5.217 2.574 1.00 0.00 N ATOM 894 CA LEU A 55 70.799 5.722 3.303 1.00 0.00 C ATOM 895 C LEU A 55 70.398 4.692 4.378 1.00 0.00 C ATOM 896 O LEU A 55 70.349 3.494 4.133 1.00 0.00 O ATOM 897 CB LEU A 55 69.627 5.990 2.343 1.00 0.00 C ATOM 898 CG LEU A 55 69.458 4.965 1.220 1.00 0.00 C ATOM 899 CD1 LEU A 55 67.977 4.816 0.868 1.00 0.00 C ATOM 900 CD2 LEU A 55 70.265 5.306 -0.047 1.00 0.00 C ATOM 0 H LEU A 55 71.953 4.203 2.463 1.00 0.00 H new ATOM 0 HA LEU A 55 71.056 6.666 3.783 1.00 0.00 H new ATOM 0 HB2 LEU A 55 68.704 6.026 2.922 1.00 0.00 H new ATOM 0 HB3 LEU A 55 69.762 6.975 1.897 1.00 0.00 H new ATOM 0 HG LEU A 55 69.854 4.023 1.598 1.00 0.00 H new ATOM 0 HD11 LEU A 55 67.865 4.085 0.068 1.00 0.00 H new ATOM 0 HD12 LEU A 55 67.426 4.480 1.747 1.00 0.00 H new ATOM 0 HD13 LEU A 55 67.583 5.777 0.539 1.00 0.00 H new ATOM 0 HD21 LEU A 55 70.099 4.538 -0.802 1.00 0.00 H new ATOM 0 HD22 LEU A 55 69.942 6.272 -0.435 1.00 0.00 H new ATOM 0 HD23 LEU A 55 71.326 5.350 0.198 1.00 0.00 H new ATOM 912 N SER A 56 70.123 5.256 5.577 1.00 0.00 N ATOM 913 CA SER A 56 69.719 4.487 6.754 1.00 0.00 C ATOM 914 C SER A 56 68.236 4.756 7.051 1.00 0.00 C ATOM 915 O SER A 56 67.595 5.599 6.447 1.00 0.00 O ATOM 916 CB SER A 56 70.623 4.888 7.938 1.00 0.00 C ATOM 917 OG SER A 56 70.138 4.508 9.205 1.00 0.00 O ATOM 0 H SER A 56 70.178 6.261 5.745 1.00 0.00 H new ATOM 0 HA SER A 56 69.834 3.417 6.580 1.00 0.00 H new ATOM 0 HB2 SER A 56 71.607 4.443 7.793 1.00 0.00 H new ATOM 0 HB3 SER A 56 70.757 5.970 7.925 1.00 0.00 H new ATOM 0 HG SER A 56 70.769 4.797 9.897 1.00 0.00 H new ATOM 923 N ASP A 57 67.735 3.981 8.032 1.00 0.00 N ATOM 924 CA ASP A 57 66.353 4.086 8.473 1.00 0.00 C ATOM 925 C ASP A 57 65.972 5.458 9.066 1.00 0.00 C ATOM 926 O ASP A 57 64.803 5.748 9.256 1.00 0.00 O ATOM 927 CB ASP A 57 66.066 2.999 9.521 1.00 0.00 C ATOM 928 CG ASP A 57 66.854 3.070 10.851 1.00 0.00 C ATOM 929 OD1 ASP A 57 67.204 4.157 11.306 1.00 0.00 O ATOM 930 OD2 ASP A 57 67.095 2.015 11.434 1.00 0.00 O ATOM 0 H ASP A 57 68.279 3.276 8.529 1.00 0.00 H new ATOM 0 HA ASP A 57 65.746 3.957 7.577 1.00 0.00 H new ATOM 0 HB2 ASP A 57 65.002 3.030 9.757 1.00 0.00 H new ATOM 0 HB3 ASP A 57 66.263 2.029 9.064 1.00 0.00 H new ATOM 935 N ASP A 58 66.991 6.275 9.389 1.00 0.00 N ATOM 936 CA ASP A 58 66.702 7.557 10.019 1.00 0.00 C ATOM 937 C ASP A 58 66.692 8.693 8.983 1.00 0.00 C ATOM 938 O ASP A 58 66.269 9.802 9.286 1.00 0.00 O ATOM 939 CB ASP A 58 67.735 7.814 11.124 1.00 0.00 C ATOM 940 CG ASP A 58 67.373 9.063 11.952 1.00 0.00 C ATOM 941 OD1 ASP A 58 66.384 9.019 12.684 1.00 0.00 O ATOM 942 OD2 ASP A 58 68.076 10.068 11.846 1.00 0.00 O ATOM 0 H ASP A 58 67.978 6.075 9.229 1.00 0.00 H new ATOM 0 HA ASP A 58 65.707 7.526 10.463 1.00 0.00 H new ATOM 0 HB2 ASP A 58 67.793 6.945 11.780 1.00 0.00 H new ATOM 0 HB3 ASP A 58 68.722 7.944 10.679 1.00 0.00 H new ATOM 947 N VAL A 59 67.185 8.372 7.765 1.00 0.00 N ATOM 948 CA VAL A 59 67.321 9.394 6.732 1.00 0.00 C ATOM 949 C VAL A 59 66.025 9.446 5.909 1.00 0.00 C ATOM 950 O VAL A 59 65.359 8.436 5.790 1.00 0.00 O ATOM 951 CB VAL A 59 68.524 9.096 5.814 1.00 0.00 C ATOM 952 CG1 VAL A 59 69.713 8.528 6.595 1.00 0.00 C ATOM 953 CG2 VAL A 59 68.191 8.161 4.645 1.00 0.00 C ATOM 0 H VAL A 59 67.485 7.437 7.489 1.00 0.00 H new ATOM 0 HA VAL A 59 67.497 10.359 7.207 1.00 0.00 H new ATOM 0 HB VAL A 59 68.796 10.064 5.393 1.00 0.00 H new ATOM 0 HG11 VAL A 59 70.538 8.332 5.910 1.00 0.00 H new ATOM 0 HG12 VAL A 59 70.030 9.248 7.349 1.00 0.00 H new ATOM 0 HG13 VAL A 59 69.418 7.599 7.082 1.00 0.00 H new ATOM 0 HG21 VAL A 59 69.085 7.998 4.044 1.00 0.00 H new ATOM 0 HG22 VAL A 59 67.835 7.207 5.033 1.00 0.00 H new ATOM 0 HG23 VAL A 59 67.416 8.613 4.027 1.00 0.00 H new ATOM 963 N PRO A 60 65.685 10.606 5.304 1.00 0.00 N ATOM 964 CA PRO A 60 64.493 10.736 4.468 1.00 0.00 C ATOM 965 C PRO A 60 64.725 10.166 3.061 1.00 0.00 C ATOM 966 O PRO A 60 65.776 10.355 2.470 1.00 0.00 O ATOM 967 CB PRO A 60 64.212 12.242 4.425 1.00 0.00 C ATOM 968 CG PRO A 60 65.354 12.907 5.208 1.00 0.00 C ATOM 969 CD PRO A 60 66.436 11.847 5.389 1.00 0.00 C ATOM 0 HA PRO A 60 63.650 10.173 4.869 1.00 0.00 H new ATOM 0 HB2 PRO A 60 64.181 12.604 3.397 1.00 0.00 H new ATOM 0 HB3 PRO A 60 63.246 12.472 4.874 1.00 0.00 H new ATOM 0 HG2 PRO A 60 65.744 13.769 4.667 1.00 0.00 H new ATOM 0 HG3 PRO A 60 65.002 13.269 6.174 1.00 0.00 H new ATOM 0 HD2 PRO A 60 67.200 11.912 4.614 1.00 0.00 H new ATOM 0 HD3 PRO A 60 66.945 11.947 6.348 1.00 0.00 H new ATOM 977 N ILE A 61 63.694 9.457 2.561 1.00 0.00 N ATOM 978 CA ILE A 61 63.725 8.944 1.194 1.00 0.00 C ATOM 979 C ILE A 61 63.868 10.092 0.177 1.00 0.00 C ATOM 980 O ILE A 61 64.519 9.970 -0.849 1.00 0.00 O ATOM 981 CB ILE A 61 62.429 8.165 0.929 1.00 0.00 C ATOM 982 CG1 ILE A 61 62.287 6.990 1.903 1.00 0.00 C ATOM 983 CG2 ILE A 61 62.325 7.681 -0.521 1.00 0.00 C ATOM 984 CD1 ILE A 61 63.013 5.718 1.441 1.00 0.00 C ATOM 0 H ILE A 61 62.845 9.233 3.081 1.00 0.00 H new ATOM 0 HA ILE A 61 64.587 8.287 1.079 1.00 0.00 H new ATOM 0 HB ILE A 61 61.605 8.858 1.096 1.00 0.00 H new ATOM 0 HG12 ILE A 61 62.676 7.287 2.877 1.00 0.00 H new ATOM 0 HG13 ILE A 61 61.229 6.766 2.037 1.00 0.00 H new ATOM 0 HG21 ILE A 61 61.391 7.136 -0.657 1.00 0.00 H new ATOM 0 HG22 ILE A 61 62.345 8.539 -1.193 1.00 0.00 H new ATOM 0 HG23 ILE A 61 63.165 7.024 -0.746 1.00 0.00 H new ATOM 0 HD11 ILE A 61 62.869 4.929 2.179 1.00 0.00 H new ATOM 0 HD12 ILE A 61 62.608 5.396 0.482 1.00 0.00 H new ATOM 0 HD13 ILE A 61 64.078 5.925 1.334 1.00 0.00 H new ATOM 996 N ARG A 62 63.231 11.221 0.532 1.00 0.00 N ATOM 997 CA ARG A 62 63.297 12.394 -0.324 1.00 0.00 C ATOM 998 C ARG A 62 64.736 12.930 -0.414 1.00 0.00 C ATOM 999 O ARG A 62 65.134 13.486 -1.430 1.00 0.00 O ATOM 1000 CB ARG A 62 62.299 13.448 0.183 1.00 0.00 C ATOM 1001 CG ARG A 62 62.765 14.911 0.057 1.00 0.00 C ATOM 1002 CD ARG A 62 61.620 15.885 -0.216 1.00 0.00 C ATOM 1003 NE ARG A 62 61.629 16.974 0.745 1.00 0.00 N ATOM 1004 CZ ARG A 62 62.515 17.993 0.685 1.00 0.00 C ATOM 1005 NH1 ARG A 62 63.452 18.047 -0.261 1.00 0.00 N ATOM 1006 NH2 ARG A 62 62.443 18.958 1.593 1.00 0.00 N ATOM 0 H ARG A 62 62.682 11.336 1.384 1.00 0.00 H new ATOM 0 HA ARG A 62 63.012 12.126 -1.341 1.00 0.00 H new ATOM 0 HB2 ARG A 62 61.364 13.333 -0.366 1.00 0.00 H new ATOM 0 HB3 ARG A 62 62.080 13.243 1.231 1.00 0.00 H new ATOM 0 HG2 ARG A 62 63.272 15.205 0.976 1.00 0.00 H new ATOM 0 HG3 ARG A 62 63.496 14.985 -0.748 1.00 0.00 H new ATOM 0 HD2 ARG A 62 61.710 16.285 -1.226 1.00 0.00 H new ATOM 0 HD3 ARG A 62 60.668 15.357 -0.165 1.00 0.00 H new ATOM 0 HE ARG A 62 60.939 16.970 1.496 1.00 0.00 H new ATOM 0 HH11 ARG A 62 63.512 17.308 -0.962 1.00 0.00 H new ATOM 0 HH12 ARG A 62 64.109 18.827 -0.284 1.00 0.00 H new ATOM 0 HH21 ARG A 62 61.728 18.922 2.320 1.00 0.00 H new ATOM 0 HH22 ARG A 62 63.103 19.735 1.564 1.00 0.00 H new ATOM 1020 N ASP A 63 65.484 12.725 0.692 1.00 0.00 N ATOM 1021 CA ASP A 63 66.873 13.169 0.735 1.00 0.00 C ATOM 1022 C ASP A 63 67.704 12.495 -0.376 1.00 0.00 C ATOM 1023 O ASP A 63 68.656 13.067 -0.892 1.00 0.00 O ATOM 1024 CB ASP A 63 67.451 12.872 2.129 1.00 0.00 C ATOM 1025 CG ASP A 63 68.803 13.556 2.425 1.00 0.00 C ATOM 1026 OD1 ASP A 63 69.728 13.436 1.622 1.00 0.00 O ATOM 1027 OD2 ASP A 63 68.921 14.194 3.470 1.00 0.00 O ATOM 0 H ASP A 63 65.151 12.266 1.540 1.00 0.00 H new ATOM 0 HA ASP A 63 66.916 14.243 0.555 1.00 0.00 H new ATOM 0 HB2 ASP A 63 66.728 13.186 2.882 1.00 0.00 H new ATOM 0 HB3 ASP A 63 67.574 11.794 2.235 1.00 0.00 H new ATOM 1032 N TYR A 64 67.269 11.263 -0.716 1.00 0.00 N ATOM 1033 CA TYR A 64 67.944 10.477 -1.737 1.00 0.00 C ATOM 1034 C TYR A 64 67.067 10.327 -2.982 1.00 0.00 C ATOM 1035 O TYR A 64 67.289 9.432 -3.772 1.00 0.00 O ATOM 1036 CB TYR A 64 68.270 9.092 -1.169 1.00 0.00 C ATOM 1037 CG TYR A 64 69.269 9.189 -0.055 1.00 0.00 C ATOM 1038 CD1 TYR A 64 68.842 9.471 1.236 1.00 0.00 C ATOM 1039 CD2 TYR A 64 70.627 9.021 -0.299 1.00 0.00 C ATOM 1040 CE1 TYR A 64 69.757 9.613 2.264 1.00 0.00 C ATOM 1041 CE2 TYR A 64 71.537 9.142 0.740 1.00 0.00 C ATOM 1042 CZ TYR A 64 71.103 9.431 2.025 1.00 0.00 C ATOM 1043 OH TYR A 64 72.000 9.518 3.071 1.00 0.00 O ATOM 0 H TYR A 64 66.460 10.806 -0.295 1.00 0.00 H new ATOM 0 HA TYR A 64 68.861 10.991 -2.025 1.00 0.00 H new ATOM 0 HB2 TYR A 64 67.357 8.621 -0.804 1.00 0.00 H new ATOM 0 HB3 TYR A 64 68.663 8.454 -1.960 1.00 0.00 H new ATOM 0 HD1 TYR A 64 67.787 9.580 1.439 1.00 0.00 H new ATOM 0 HD2 TYR A 64 70.973 8.796 -1.297 1.00 0.00 H new ATOM 0 HE1 TYR A 64 69.416 9.867 3.257 1.00 0.00 H new ATOM 0 HE2 TYR A 64 72.591 9.010 0.547 1.00 0.00 H new ATOM 0 HH TYR A 64 72.611 8.753 3.042 1.00 0.00 H new ATOM 1053 N ARG A 65 66.066 11.216 -3.126 1.00 0.00 N ATOM 1054 CA ARG A 65 65.173 11.257 -4.285 1.00 0.00 C ATOM 1055 C ARG A 65 64.732 9.874 -4.822 1.00 0.00 C ATOM 1056 O ARG A 65 64.832 9.623 -6.013 1.00 0.00 O ATOM 1057 CB ARG A 65 65.831 12.084 -5.413 1.00 0.00 C ATOM 1058 CG ARG A 65 64.810 12.893 -6.233 1.00 0.00 C ATOM 1059 CD ARG A 65 64.755 12.485 -7.706 1.00 0.00 C ATOM 1060 NE ARG A 65 63.953 13.446 -8.452 1.00 0.00 N ATOM 1061 CZ ARG A 65 63.832 13.380 -9.796 1.00 0.00 C ATOM 1062 NH1 ARG A 65 64.431 12.416 -10.491 1.00 0.00 N ATOM 1063 NH2 ARG A 65 63.105 14.293 -10.433 1.00 0.00 N ATOM 0 H ARG A 65 65.858 11.931 -2.429 1.00 0.00 H new ATOM 0 HA ARG A 65 64.255 11.730 -3.937 1.00 0.00 H new ATOM 0 HB2 ARG A 65 66.563 12.765 -4.978 1.00 0.00 H new ATOM 0 HB3 ARG A 65 66.375 11.414 -6.078 1.00 0.00 H new ATOM 0 HG2 ARG A 65 63.821 12.769 -5.792 1.00 0.00 H new ATOM 0 HG3 ARG A 65 65.059 13.952 -6.166 1.00 0.00 H new ATOM 0 HD2 ARG A 65 65.763 12.440 -8.119 1.00 0.00 H new ATOM 0 HD3 ARG A 65 64.326 11.487 -7.801 1.00 0.00 H new ATOM 0 HE ARG A 65 63.470 14.188 -7.946 1.00 0.00 H new ATOM 0 HH11 ARG A 65 64.991 11.713 -10.009 1.00 0.00 H new ATOM 0 HH12 ARG A 65 64.330 12.380 -11.505 1.00 0.00 H new ATOM 0 HH21 ARG A 65 62.644 15.036 -9.907 1.00 0.00 H new ATOM 0 HH22 ARG A 65 63.008 14.251 -11.448 1.00 0.00 H new ATOM 1077 N ILE A 66 64.264 8.998 -3.900 1.00 0.00 N ATOM 1078 CA ILE A 66 63.990 7.604 -4.274 1.00 0.00 C ATOM 1079 C ILE A 66 62.549 7.471 -4.777 1.00 0.00 C ATOM 1080 O ILE A 66 61.629 7.160 -4.031 1.00 0.00 O ATOM 1081 CB ILE A 66 64.267 6.619 -3.117 1.00 0.00 C ATOM 1082 CG1 ILE A 66 65.393 7.130 -2.206 1.00 0.00 C ATOM 1083 CG2 ILE A 66 64.517 5.181 -3.587 1.00 0.00 C ATOM 1084 CD1 ILE A 66 66.026 6.103 -1.285 1.00 0.00 C ATOM 0 H ILE A 66 64.076 9.228 -2.924 1.00 0.00 H new ATOM 0 HA ILE A 66 64.675 7.337 -5.079 1.00 0.00 H new ATOM 0 HB ILE A 66 63.352 6.577 -2.527 1.00 0.00 H new ATOM 0 HG12 ILE A 66 66.176 7.556 -2.834 1.00 0.00 H new ATOM 0 HG13 ILE A 66 64.998 7.941 -1.595 1.00 0.00 H new ATOM 0 HG21 ILE A 66 64.705 4.543 -2.723 1.00 0.00 H new ATOM 0 HG22 ILE A 66 63.641 4.816 -4.124 1.00 0.00 H new ATOM 0 HG23 ILE A 66 65.383 5.160 -4.248 1.00 0.00 H new ATOM 0 HD11 ILE A 66 66.807 6.579 -0.691 1.00 0.00 H new ATOM 0 HD12 ILE A 66 65.265 5.692 -0.621 1.00 0.00 H new ATOM 0 HD13 ILE A 66 66.461 5.300 -1.880 1.00 0.00 H new ATOM 1096 N ASP A 67 62.429 7.718 -6.095 1.00 0.00 N ATOM 1097 CA ASP A 67 61.135 7.616 -6.755 1.00 0.00 C ATOM 1098 C ASP A 67 61.015 6.207 -7.352 1.00 0.00 C ATOM 1099 O ASP A 67 61.995 5.487 -7.459 1.00 0.00 O ATOM 1100 CB ASP A 67 61.046 8.734 -7.808 1.00 0.00 C ATOM 1101 CG ASP A 67 59.727 8.693 -8.606 1.00 0.00 C ATOM 1102 OD1 ASP A 67 58.666 8.845 -8.002 1.00 0.00 O ATOM 1103 OD2 ASP A 67 59.778 8.491 -9.819 1.00 0.00 O ATOM 0 H ASP A 67 63.202 7.984 -6.705 1.00 0.00 H new ATOM 0 HA ASP A 67 60.300 7.750 -6.067 1.00 0.00 H new ATOM 0 HB2 ASP A 67 61.138 9.701 -7.314 1.00 0.00 H new ATOM 0 HB3 ASP A 67 61.886 8.647 -8.497 1.00 0.00 H new ATOM 1108 N GLU A 68 59.756 5.876 -7.726 1.00 0.00 N ATOM 1109 CA GLU A 68 59.407 4.622 -8.386 1.00 0.00 C ATOM 1110 C GLU A 68 60.271 4.355 -9.627 1.00 0.00 C ATOM 1111 O GLU A 68 60.857 3.287 -9.760 1.00 0.00 O ATOM 1112 CB GLU A 68 57.915 4.645 -8.778 1.00 0.00 C ATOM 1113 CG GLU A 68 57.552 3.652 -9.906 1.00 0.00 C ATOM 1114 CD GLU A 68 56.050 3.628 -10.219 1.00 0.00 C ATOM 1115 OE1 GLU A 68 55.444 4.697 -10.298 1.00 0.00 O ATOM 1116 OE2 GLU A 68 55.504 2.540 -10.394 1.00 0.00 O ATOM 0 H GLU A 68 58.955 6.488 -7.570 1.00 0.00 H new ATOM 0 HA GLU A 68 59.598 3.813 -7.681 1.00 0.00 H new ATOM 0 HB2 GLU A 68 57.314 4.416 -7.898 1.00 0.00 H new ATOM 0 HB3 GLU A 68 57.647 5.653 -9.094 1.00 0.00 H new ATOM 0 HG2 GLU A 68 58.102 3.918 -10.809 1.00 0.00 H new ATOM 0 HG3 GLU A 68 57.875 2.651 -9.620 1.00 0.00 H new ATOM 1123 N LYS A 69 60.296 5.375 -10.522 1.00 0.00 N ATOM 1124 CA LYS A 69 61.043 5.288 -11.778 1.00 0.00 C ATOM 1125 C LYS A 69 62.504 4.847 -11.557 1.00 0.00 C ATOM 1126 O LYS A 69 63.121 4.218 -12.406 1.00 0.00 O ATOM 1127 CB LYS A 69 60.984 6.641 -12.519 1.00 0.00 C ATOM 1128 CG LYS A 69 60.804 6.480 -14.036 1.00 0.00 C ATOM 1129 CD LYS A 69 62.126 6.309 -14.797 1.00 0.00 C ATOM 1130 CE LYS A 69 61.973 5.422 -16.034 1.00 0.00 C ATOM 1131 NZ LYS A 69 61.878 4.010 -15.678 1.00 0.00 N ATOM 0 H LYS A 69 59.806 6.259 -10.387 1.00 0.00 H new ATOM 0 HA LYS A 69 60.572 4.521 -12.393 1.00 0.00 H new ATOM 0 HB2 LYS A 69 60.160 7.233 -12.121 1.00 0.00 H new ATOM 0 HB3 LYS A 69 61.900 7.198 -12.323 1.00 0.00 H new ATOM 0 HG2 LYS A 69 60.169 5.615 -14.228 1.00 0.00 H new ATOM 0 HG3 LYS A 69 60.280 7.353 -14.426 1.00 0.00 H new ATOM 0 HD2 LYS A 69 62.498 7.288 -15.098 1.00 0.00 H new ATOM 0 HD3 LYS A 69 62.872 5.875 -14.132 1.00 0.00 H new ATOM 0 HE2 LYS A 69 61.081 5.719 -16.586 1.00 0.00 H new ATOM 0 HE3 LYS A 69 62.824 5.573 -16.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 61.844 3.435 -16.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 62.708 3.737 -15.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 61.014 3.850 -15.122 1.00 0.00 H new ATOM 1145 N ASN A 70 62.985 5.200 -10.347 1.00 0.00 N ATOM 1146 CA ASN A 70 64.304 4.802 -9.900 1.00 0.00 C ATOM 1147 C ASN A 70 64.176 3.654 -8.891 1.00 0.00 C ATOM 1148 O ASN A 70 63.121 3.387 -8.335 1.00 0.00 O ATOM 1149 CB ASN A 70 64.970 6.026 -9.268 1.00 0.00 C ATOM 1150 CG ASN A 70 66.505 5.945 -9.391 1.00 0.00 C ATOM 1151 OD1 ASN A 70 67.086 5.156 -8.474 1.00 0.00 O flip ATOM 1152 ND2 ASN A 70 67.110 6.576 -10.245 1.00 0.00 N flip ATOM 0 H ASN A 70 62.466 5.762 -9.672 1.00 0.00 H new ATOM 0 HA ASN A 70 64.913 4.446 -10.731 1.00 0.00 H new ATOM 0 HB2 ASN A 70 64.610 6.932 -9.755 1.00 0.00 H new ATOM 0 HB3 ASN A 70 64.689 6.095 -8.217 1.00 0.00 H new ATOM 0 HD21 ASN A 70 66.597 7.156 -10.909 1.00 0.00 H new ATOM 0 HD22 ASN A 70 68.127 6.523 -10.293 1.00 0.00 H new ATOM 1159 N PHE A 71 65.336 3.002 -8.688 1.00 0.00 N ATOM 1160 CA PHE A 71 65.432 1.972 -7.681 1.00 0.00 C ATOM 1161 C PHE A 71 66.765 2.096 -6.925 1.00 0.00 C ATOM 1162 O PHE A 71 67.794 2.433 -7.497 1.00 0.00 O ATOM 1163 CB PHE A 71 65.208 0.613 -8.375 1.00 0.00 C ATOM 1164 CG PHE A 71 66.449 -0.087 -8.847 1.00 0.00 C ATOM 1165 CD1 PHE A 71 67.318 -0.629 -7.914 1.00 0.00 C ATOM 1166 CD2 PHE A 71 66.753 -0.203 -10.197 1.00 0.00 C ATOM 1167 CE1 PHE A 71 68.508 -1.206 -8.306 1.00 0.00 C ATOM 1168 CE2 PHE A 71 67.927 -0.830 -10.598 1.00 0.00 C ATOM 1169 CZ PHE A 71 68.816 -1.313 -9.649 1.00 0.00 C ATOM 0 H PHE A 71 66.196 3.178 -9.207 1.00 0.00 H new ATOM 0 HA PHE A 71 64.665 2.074 -6.913 1.00 0.00 H new ATOM 0 HB2 PHE A 71 64.682 -0.045 -7.684 1.00 0.00 H new ATOM 0 HB3 PHE A 71 64.551 0.767 -9.231 1.00 0.00 H new ATOM 0 HD1 PHE A 71 67.060 -0.599 -6.866 1.00 0.00 H new ATOM 0 HD2 PHE A 71 66.075 0.195 -10.938 1.00 0.00 H new ATOM 0 HE1 PHE A 71 69.200 -1.574 -7.563 1.00 0.00 H new ATOM 0 HE2 PHE A 71 68.147 -0.941 -11.649 1.00 0.00 H new ATOM 0 HZ PHE A 71 69.744 -1.770 -9.958 1.00 0.00 H new ATOM 1179 N VAL A 72 66.676 1.771 -5.617 1.00 0.00 N ATOM 1180 CA VAL A 72 67.849 1.759 -4.752 1.00 0.00 C ATOM 1181 C VAL A 72 68.302 0.318 -4.498 1.00 0.00 C ATOM 1182 O VAL A 72 67.539 -0.624 -4.635 1.00 0.00 O ATOM 1183 CB VAL A 72 67.468 2.473 -3.445 1.00 0.00 C ATOM 1184 CG1 VAL A 72 67.090 1.535 -2.327 1.00 0.00 C ATOM 1185 CG2 VAL A 72 68.552 3.403 -2.958 1.00 0.00 C ATOM 0 H VAL A 72 65.805 1.517 -5.151 1.00 0.00 H new ATOM 0 HA VAL A 72 68.686 2.277 -5.220 1.00 0.00 H new ATOM 0 HB VAL A 72 66.584 3.054 -3.709 1.00 0.00 H new ATOM 0 HG11 VAL A 72 66.834 2.112 -1.439 1.00 0.00 H new ATOM 0 HG12 VAL A 72 66.232 0.935 -2.630 1.00 0.00 H new ATOM 0 HG13 VAL A 72 67.931 0.878 -2.103 1.00 0.00 H new ATOM 0 HG21 VAL A 72 68.232 3.882 -2.032 1.00 0.00 H new ATOM 0 HG22 VAL A 72 69.464 2.835 -2.776 1.00 0.00 H new ATOM 0 HG23 VAL A 72 68.744 4.165 -3.713 1.00 0.00 H new ATOM 1195 N VAL A 73 69.568 0.210 -4.065 1.00 0.00 N ATOM 1196 CA VAL A 73 70.094 -1.106 -3.759 1.00 0.00 C ATOM 1197 C VAL A 73 70.104 -1.356 -2.240 1.00 0.00 C ATOM 1198 O VAL A 73 70.905 -0.788 -1.523 1.00 0.00 O ATOM 1199 CB VAL A 73 71.506 -1.230 -4.332 1.00 0.00 C ATOM 1200 CG1 VAL A 73 72.099 -2.595 -4.004 1.00 0.00 C ATOM 1201 CG2 VAL A 73 71.514 -1.027 -5.852 1.00 0.00 C ATOM 0 H VAL A 73 70.213 0.988 -3.927 1.00 0.00 H new ATOM 0 HA VAL A 73 69.451 -1.859 -4.214 1.00 0.00 H new ATOM 0 HB VAL A 73 72.112 -0.449 -3.873 1.00 0.00 H new ATOM 0 HG11 VAL A 73 73.104 -2.665 -4.420 1.00 0.00 H new ATOM 0 HG12 VAL A 73 72.144 -2.722 -2.922 1.00 0.00 H new ATOM 0 HG13 VAL A 73 71.473 -3.377 -4.435 1.00 0.00 H new ATOM 0 HG21 VAL A 73 72.533 -1.122 -6.226 1.00 0.00 H new ATOM 0 HG22 VAL A 73 70.883 -1.781 -6.323 1.00 0.00 H new ATOM 0 HG23 VAL A 73 71.131 -0.034 -6.088 1.00 0.00 H new ATOM 1211 N VAL A 74 69.229 -2.280 -1.799 1.00 0.00 N ATOM 1212 CA VAL A 74 69.241 -2.697 -0.401 1.00 0.00 C ATOM 1213 C VAL A 74 70.433 -3.644 -0.103 1.00 0.00 C ATOM 1214 O VAL A 74 70.355 -4.849 -0.305 1.00 0.00 O ATOM 1215 CB VAL A 74 67.905 -3.366 -0.036 1.00 0.00 C ATOM 1216 CG1 VAL A 74 67.415 -4.314 -1.135 1.00 0.00 C ATOM 1217 CG2 VAL A 74 67.968 -4.098 1.312 1.00 0.00 C ATOM 0 H VAL A 74 68.526 -2.736 -2.380 1.00 0.00 H new ATOM 0 HA VAL A 74 69.368 -1.809 0.218 1.00 0.00 H new ATOM 0 HB VAL A 74 67.182 -2.556 0.058 1.00 0.00 H new ATOM 0 HG11 VAL A 74 66.469 -4.763 -0.833 1.00 0.00 H new ATOM 0 HG12 VAL A 74 67.273 -3.756 -2.060 1.00 0.00 H new ATOM 0 HG13 VAL A 74 68.154 -5.099 -1.295 1.00 0.00 H new ATOM 0 HG21 VAL A 74 67.001 -4.553 1.524 1.00 0.00 H new ATOM 0 HG22 VAL A 74 68.733 -4.874 1.269 1.00 0.00 H new ATOM 0 HG23 VAL A 74 68.215 -3.387 2.101 1.00 0.00 H new ATOM 1227 N MET A 75 71.514 -3.030 0.426 1.00 0.00 N ATOM 1228 CA MET A 75 72.682 -3.790 0.861 1.00 0.00 C ATOM 1229 C MET A 75 72.586 -4.065 2.373 1.00 0.00 C ATOM 1230 O MET A 75 72.165 -3.208 3.134 1.00 0.00 O ATOM 1231 CB MET A 75 73.943 -3.000 0.475 1.00 0.00 C ATOM 1232 CG MET A 75 74.424 -1.959 1.503 1.00 0.00 C ATOM 1233 SD MET A 75 75.506 -2.678 2.761 1.00 0.00 S ATOM 1234 CE MET A 75 76.802 -3.343 1.691 1.00 0.00 C ATOM 0 H MET A 75 71.592 -2.021 0.557 1.00 0.00 H new ATOM 0 HA MET A 75 72.730 -4.762 0.370 1.00 0.00 H new ATOM 0 HB2 MET A 75 74.752 -3.708 0.298 1.00 0.00 H new ATOM 0 HB3 MET A 75 73.754 -2.489 -0.469 1.00 0.00 H new ATOM 0 HG2 MET A 75 74.955 -1.160 0.985 1.00 0.00 H new ATOM 0 HG3 MET A 75 73.560 -1.505 1.988 1.00 0.00 H new ATOM 0 HE1 MET A 75 77.774 -3.191 2.160 1.00 0.00 H new ATOM 0 HE2 MET A 75 76.636 -4.409 1.538 1.00 0.00 H new ATOM 0 HE3 MET A 75 76.779 -2.830 0.729 1.00 0.00 H new ATOM 1244 N VAL A 76 72.990 -5.296 2.764 1.00 0.00 N ATOM 1245 CA VAL A 76 73.004 -5.672 4.181 1.00 0.00 C ATOM 1246 C VAL A 76 74.285 -6.478 4.460 1.00 0.00 C ATOM 1247 O VAL A 76 74.735 -7.266 3.640 1.00 0.00 O ATOM 1248 CB VAL A 76 71.740 -6.492 4.560 1.00 0.00 C ATOM 1249 CG1 VAL A 76 71.694 -6.890 6.056 1.00 0.00 C ATOM 1250 CG2 VAL A 76 70.419 -5.816 4.140 1.00 0.00 C ATOM 0 H VAL A 76 73.303 -6.027 2.126 1.00 0.00 H new ATOM 0 HA VAL A 76 72.994 -4.771 4.794 1.00 0.00 H new ATOM 0 HB VAL A 76 71.834 -7.409 3.978 1.00 0.00 H new ATOM 0 HG11 VAL A 76 70.786 -7.460 6.253 1.00 0.00 H new ATOM 0 HG12 VAL A 76 72.565 -7.499 6.297 1.00 0.00 H new ATOM 0 HG13 VAL A 76 71.698 -5.991 6.672 1.00 0.00 H new ATOM 0 HG21 VAL A 76 69.579 -6.444 4.436 1.00 0.00 H new ATOM 0 HG22 VAL A 76 70.336 -4.845 4.628 1.00 0.00 H new ATOM 0 HG23 VAL A 76 70.407 -5.681 3.059 1.00 0.00 H new