USER MOD reduce.3.24.130724 H: found=0, std=0, add=388, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 390 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 28 MET CE :methyl -170:sc= -2.02 (180deg=-1.75) USER MOD Set 1.2: A 45 CYS SG : rot 85:sc= -1.08! USER MOD Single : A 4 THR OG1 : rot -170:sc= -0.708 USER MOD Single : A 5 LYS NZ :NH3+ -145:sc= -1.15 (180deg=-2.82!) USER MOD Single : A 7 MET CE :methyl 168:sc= -0.104 (180deg=-0.105) USER MOD Single : A 14 GLN : amide:sc= -0.903 K(o=-0.9,f=-5.5!) USER MOD Single : A 15 MET CE :methyl -158:sc= 0 (180deg=-0.349) USER MOD Single : A 19 THR OG1 : rot -84:sc= -0.0857 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 26 ASN : amide:sc= 0.0265 K(o=0.027,f=-0.48) USER MOD Single : A 40 SER OG : rot 180:sc= -0.0263 USER MOD Single : A 48 HIS :FLIP no HD1:sc= -0.0741 F(o=-0.69,f=-0.074) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -177:sc= 1.21 (180deg=1.15) USER MOD Single : A 60 ASN : amide:sc= 1.05 K(o=1,f=-0.18) USER MOD Single : A 62 TYR OH : rot 171:sc= 1.03 USER MOD ----------------------------------------------------------------- ATOM 42 N ILE A 3 9.704 -1.248 2.689 1.00 20.11 N ATOM 43 CA ILE A 3 8.376 -1.866 2.540 1.00 54.34 C ATOM 44 C ILE A 3 8.432 -3.237 1.845 1.00 13.32 C ATOM 45 O ILE A 3 9.067 -3.392 0.800 1.00 23.10 O ATOM 46 CB ILE A 3 7.419 -0.937 1.750 1.00 3.13 C ATOM 47 CG1 ILE A 3 7.366 0.456 2.403 1.00 72.11 C ATOM 48 CG2 ILE A 3 6.017 -1.545 1.656 1.00 62.14 C ATOM 49 CD1 ILE A 3 6.862 0.454 3.833 1.00 43.22 C ATOM 0 HA ILE A 3 7.999 -2.016 3.551 1.00 54.34 H new ATOM 0 HB ILE A 3 7.806 -0.831 0.736 1.00 3.13 H new ATOM 0 HG12 ILE A 3 8.364 0.893 2.382 1.00 72.11 H new ATOM 0 HG13 ILE A 3 6.723 1.101 1.804 1.00 72.11 H new ATOM 0 HG21 ILE A 3 5.366 -0.873 1.097 1.00 62.14 H new ATOM 0 HG22 ILE A 3 6.071 -2.506 1.145 1.00 62.14 H new ATOM 0 HG23 ILE A 3 5.615 -1.689 2.659 1.00 62.14 H new ATOM 0 HD11 ILE A 3 6.856 1.474 4.218 1.00 43.22 H new ATOM 0 HD12 ILE A 3 5.850 0.049 3.862 1.00 43.22 H new ATOM 0 HD13 ILE A 3 7.517 -0.162 4.449 1.00 43.22 H new ATOM 61 N THR A 4 7.752 -4.224 2.433 1.00 64.03 N ATOM 62 CA THR A 4 7.674 -5.575 1.857 1.00 41.34 C ATOM 63 C THR A 4 6.219 -5.970 1.581 1.00 42.23 C ATOM 64 O THR A 4 5.292 -5.415 2.170 1.00 45.15 O ATOM 65 CB THR A 4 8.287 -6.645 2.795 1.00 3.31 C ATOM 66 OG1 THR A 4 7.478 -6.790 3.973 1.00 44.40 O ATOM 67 CG2 THR A 4 9.712 -6.279 3.194 1.00 24.11 C ATOM 0 H THR A 4 7.245 -4.115 3.311 1.00 64.03 H new ATOM 0 HA THR A 4 8.243 -5.541 0.928 1.00 41.34 H new ATOM 0 HB THR A 4 8.314 -7.590 2.252 1.00 3.31 H new ATOM 0 HG1 THR A 4 7.950 -7.346 4.627 1.00 44.40 H new ATOM 0 HG21 THR A 4 10.115 -7.049 3.852 1.00 24.11 H new ATOM 0 HG22 THR A 4 10.332 -6.204 2.301 1.00 24.11 H new ATOM 0 HG23 THR A 4 9.709 -5.322 3.715 1.00 24.11 H new ATOM 75 N LYS A 5 6.019 -6.948 0.697 1.00 53.24 N ATOM 76 CA LYS A 5 4.673 -7.459 0.398 1.00 54.40 C ATOM 77 C LYS A 5 4.040 -8.127 1.634 1.00 12.43 C ATOM 78 O LYS A 5 2.828 -8.345 1.689 1.00 23.25 O ATOM 79 CB LYS A 5 4.736 -8.451 -0.776 1.00 73.51 C ATOM 80 CG LYS A 5 5.549 -9.710 -0.477 1.00 13.25 C ATOM 81 CD LYS A 5 5.674 -10.632 -1.696 1.00 70.12 C ATOM 82 CE LYS A 5 6.762 -10.180 -2.676 1.00 34.30 C ATOM 83 NZ LYS A 5 6.413 -8.928 -3.400 1.00 33.14 N ATOM 0 H LYS A 5 6.767 -7.404 0.175 1.00 53.24 H new ATOM 0 HA LYS A 5 4.043 -6.615 0.118 1.00 54.40 H new ATOM 0 HB2 LYS A 5 3.721 -8.741 -1.049 1.00 73.51 H new ATOM 0 HB3 LYS A 5 5.167 -7.948 -1.642 1.00 73.51 H new ATOM 0 HG2 LYS A 5 6.545 -9.424 -0.139 1.00 13.25 H new ATOM 0 HG3 LYS A 5 5.079 -10.256 0.341 1.00 13.25 H new ATOM 0 HD2 LYS A 5 5.894 -11.645 -1.358 1.00 70.12 H new ATOM 0 HD3 LYS A 5 4.717 -10.670 -2.216 1.00 70.12 H new ATOM 0 HE2 LYS A 5 7.694 -10.029 -2.131 1.00 34.30 H new ATOM 0 HE3 LYS A 5 6.942 -10.974 -3.401 1.00 34.30 H new ATOM 0 HZ1 LYS A 5 6.791 -8.970 -4.368 1.00 33.14 H new ATOM 0 HZ2 LYS A 5 5.379 -8.825 -3.436 1.00 33.14 H new ATOM 0 HZ3 LYS A 5 6.825 -8.113 -2.903 1.00 33.14 H new ATOM 97 N ASP A 6 4.883 -8.431 2.621 1.00 14.32 N ATOM 98 CA ASP A 6 4.460 -9.072 3.868 1.00 23.44 C ATOM 99 C ASP A 6 3.756 -8.071 4.810 1.00 15.42 C ATOM 100 O ASP A 6 2.922 -8.456 5.633 1.00 4.30 O ATOM 101 CB ASP A 6 5.700 -9.670 4.548 1.00 22.02 C ATOM 102 CG ASP A 6 5.373 -10.492 5.782 1.00 41.32 C ATOM 103 OD1 ASP A 6 5.142 -11.711 5.639 1.00 74.25 O ATOM 104 OD2 ASP A 6 5.370 -9.927 6.898 1.00 74.41 O ATOM 0 H ASP A 6 5.884 -8.239 2.578 1.00 14.32 H new ATOM 0 HA ASP A 6 3.738 -9.857 3.641 1.00 23.44 H new ATOM 0 HB2 ASP A 6 6.231 -10.298 3.832 1.00 22.02 H new ATOM 0 HB3 ASP A 6 6.377 -8.863 4.827 1.00 22.02 H new ATOM 109 N MET A 7 4.092 -6.787 4.671 1.00 42.21 N ATOM 110 CA MET A 7 3.555 -5.736 5.547 1.00 63.22 C ATOM 111 C MET A 7 2.034 -5.543 5.381 1.00 72.44 C ATOM 112 O MET A 7 1.449 -5.904 4.360 1.00 63.12 O ATOM 113 CB MET A 7 4.280 -4.409 5.281 1.00 54.41 C ATOM 114 CG MET A 7 5.753 -4.418 5.668 1.00 34.43 C ATOM 115 SD MET A 7 6.563 -2.844 5.324 1.00 11.54 S ATOM 116 CE MET A 7 8.194 -3.135 6.009 1.00 71.30 C ATOM 0 H MET A 7 4.736 -6.446 3.958 1.00 42.21 H new ATOM 0 HA MET A 7 3.729 -6.057 6.574 1.00 63.22 H new ATOM 0 HB2 MET A 7 4.195 -4.167 4.222 1.00 54.41 H new ATOM 0 HB3 MET A 7 3.775 -3.615 5.831 1.00 54.41 H new ATOM 0 HG2 MET A 7 5.846 -4.647 6.730 1.00 34.43 H new ATOM 0 HG3 MET A 7 6.264 -5.213 5.125 1.00 34.43 H new ATOM 0 HE1 MET A 7 8.870 -2.343 5.688 1.00 71.30 H new ATOM 0 HE2 MET A 7 8.135 -3.143 7.097 1.00 71.30 H new ATOM 0 HE3 MET A 7 8.569 -4.097 5.659 1.00 71.30 H new ATOM 126 N ILE A 8 1.406 -4.965 6.402 1.00 23.45 N ATOM 127 CA ILE A 8 -0.038 -4.701 6.392 1.00 30.33 C ATOM 128 C ILE A 8 -0.359 -3.374 5.685 1.00 25.35 C ATOM 129 O ILE A 8 0.295 -2.363 5.937 1.00 53.33 O ATOM 130 CB ILE A 8 -0.591 -4.642 7.841 1.00 21.33 C ATOM 131 CG1 ILE A 8 -0.270 -5.944 8.594 1.00 43.01 C ATOM 132 CG2 ILE A 8 -2.093 -4.364 7.844 1.00 70.33 C ATOM 133 CD1 ILE A 8 -0.838 -7.189 7.947 1.00 53.22 C ATOM 0 H ILE A 8 1.876 -4.667 7.256 1.00 23.45 H new ATOM 0 HA ILE A 8 -0.512 -5.518 5.848 1.00 30.33 H new ATOM 0 HB ILE A 8 -0.101 -3.818 8.359 1.00 21.33 H new ATOM 0 HG12 ILE A 8 0.812 -6.049 8.671 1.00 43.01 H new ATOM 0 HG13 ILE A 8 -0.656 -5.868 9.611 1.00 43.01 H new ATOM 0 HG21 ILE A 8 -2.454 -4.328 8.872 1.00 70.33 H new ATOM 0 HG22 ILE A 8 -2.287 -3.408 7.357 1.00 70.33 H new ATOM 0 HG23 ILE A 8 -2.611 -5.157 7.305 1.00 70.33 H new ATOM 0 HD11 ILE A 8 -0.567 -8.063 8.539 1.00 53.22 H new ATOM 0 HD12 ILE A 8 -1.924 -7.109 7.895 1.00 53.22 H new ATOM 0 HD13 ILE A 8 -0.433 -7.293 6.940 1.00 53.22 H new ATOM 145 N ILE A 9 -1.374 -3.374 4.816 1.00 13.43 N ATOM 146 CA ILE A 9 -1.795 -2.148 4.116 1.00 30.03 C ATOM 147 C ILE A 9 -2.152 -1.032 5.110 1.00 70.44 C ATOM 148 O ILE A 9 -1.676 0.102 4.991 1.00 44.21 O ATOM 149 CB ILE A 9 -3.008 -2.410 3.182 1.00 71.45 C ATOM 150 CG1 ILE A 9 -2.616 -3.399 2.071 1.00 34.32 C ATOM 151 CG2 ILE A 9 -3.525 -1.102 2.582 1.00 23.14 C ATOM 152 CD1 ILE A 9 -3.699 -3.626 1.037 1.00 50.35 C ATOM 0 H ILE A 9 -1.919 -4.203 4.578 1.00 13.43 H new ATOM 0 HA ILE A 9 -0.948 -1.828 3.510 1.00 30.03 H new ATOM 0 HB ILE A 9 -3.812 -2.849 3.773 1.00 71.45 H new ATOM 0 HG12 ILE A 9 -1.721 -3.030 1.570 1.00 34.32 H new ATOM 0 HG13 ILE A 9 -2.356 -4.355 2.525 1.00 34.32 H new ATOM 0 HG21 ILE A 9 -4.374 -1.311 1.932 1.00 23.14 H new ATOM 0 HG22 ILE A 9 -3.838 -0.433 3.383 1.00 23.14 H new ATOM 0 HG23 ILE A 9 -2.732 -0.629 2.003 1.00 23.14 H new ATOM 0 HD11 ILE A 9 -3.345 -4.335 0.289 1.00 50.35 H new ATOM 0 HD12 ILE A 9 -4.589 -4.026 1.524 1.00 50.35 H new ATOM 0 HD13 ILE A 9 -3.944 -2.680 0.553 1.00 50.35 H new ATOM 164 N ALA A 10 -2.983 -1.364 6.097 1.00 62.01 N ATOM 165 CA ALA A 10 -3.358 -0.413 7.148 1.00 41.44 C ATOM 166 C ALA A 10 -2.123 0.117 7.896 1.00 71.32 C ATOM 167 O ALA A 10 -2.095 1.267 8.333 1.00 54.12 O ATOM 168 CB ALA A 10 -4.327 -1.066 8.128 1.00 13.23 C ATOM 0 H ALA A 10 -3.411 -2.285 6.193 1.00 62.01 H new ATOM 0 HA ALA A 10 -3.848 0.435 6.671 1.00 41.44 H new ATOM 0 HB1 ALA A 10 -4.598 -0.350 8.904 1.00 13.23 H new ATOM 0 HB2 ALA A 10 -5.225 -1.382 7.596 1.00 13.23 H new ATOM 0 HB3 ALA A 10 -3.852 -1.934 8.586 1.00 13.23 H new ATOM 174 N ASP A 11 -1.100 -0.729 8.030 1.00 35.34 N ATOM 175 CA ASP A 11 0.136 -0.344 8.717 1.00 12.35 C ATOM 176 C ASP A 11 0.956 0.634 7.859 1.00 23.44 C ATOM 177 O ASP A 11 1.518 1.601 8.372 1.00 23.33 O ATOM 178 CB ASP A 11 0.962 -1.592 9.050 1.00 44.34 C ATOM 179 CG ASP A 11 2.061 -1.306 10.058 1.00 72.35 C ATOM 180 OD1 ASP A 11 1.780 -1.350 11.275 1.00 42.24 O ATOM 181 OD2 ASP A 11 3.204 -1.034 9.646 1.00 61.23 O ATOM 0 H ASP A 11 -1.102 -1.684 7.673 1.00 35.34 H new ATOM 0 HA ASP A 11 -0.126 0.162 9.646 1.00 12.35 H new ATOM 0 HB2 ASP A 11 0.303 -2.366 9.444 1.00 44.34 H new ATOM 0 HB3 ASP A 11 1.405 -1.986 8.135 1.00 44.34 H new ATOM 186 N VAL A 12 1.015 0.380 6.549 1.00 21.34 N ATOM 187 CA VAL A 12 1.648 1.315 5.607 1.00 12.54 C ATOM 188 C VAL A 12 0.974 2.696 5.690 1.00 4.51 C ATOM 189 O VAL A 12 1.635 3.735 5.607 1.00 62.14 O ATOM 190 CB VAL A 12 1.580 0.789 4.150 1.00 64.45 C ATOM 191 CG1 VAL A 12 2.254 1.761 3.184 1.00 42.35 C ATOM 192 CG2 VAL A 12 2.214 -0.599 4.047 1.00 73.13 C ATOM 0 H VAL A 12 0.635 -0.461 6.115 1.00 21.34 H new ATOM 0 HA VAL A 12 2.697 1.404 5.889 1.00 12.54 H new ATOM 0 HB VAL A 12 0.530 0.709 3.870 1.00 64.45 H new ATOM 0 HG11 VAL A 12 2.192 1.367 2.169 1.00 42.35 H new ATOM 0 HG12 VAL A 12 1.751 2.727 3.230 1.00 42.35 H new ATOM 0 HG13 VAL A 12 3.301 1.883 3.462 1.00 42.35 H new ATOM 0 HG21 VAL A 12 2.156 -0.950 3.017 1.00 73.13 H new ATOM 0 HG22 VAL A 12 3.259 -0.546 4.354 1.00 73.13 H new ATOM 0 HG23 VAL A 12 1.680 -1.292 4.697 1.00 73.13 H new ATOM 202 N LEU A 13 -0.348 2.695 5.872 1.00 42.35 N ATOM 203 CA LEU A 13 -1.100 3.931 6.114 1.00 63.35 C ATOM 204 C LEU A 13 -0.676 4.583 7.442 1.00 12.33 C ATOM 205 O LEU A 13 -0.627 5.807 7.554 1.00 61.24 O ATOM 206 CB LEU A 13 -2.612 3.646 6.131 1.00 63.13 C ATOM 207 CG LEU A 13 -3.205 3.118 4.813 1.00 32.24 C ATOM 208 CD1 LEU A 13 -4.699 2.831 4.966 1.00 4.24 C ATOM 209 CD2 LEU A 13 -2.953 4.105 3.672 1.00 23.22 C ATOM 0 H LEU A 13 -0.922 1.852 5.857 1.00 42.35 H new ATOM 0 HA LEU A 13 -0.877 4.623 5.302 1.00 63.35 H new ATOM 0 HB2 LEU A 13 -2.818 2.920 6.917 1.00 63.13 H new ATOM 0 HB3 LEU A 13 -3.133 4.564 6.401 1.00 63.13 H new ATOM 0 HG LEU A 13 -2.705 2.181 4.567 1.00 32.24 H new ATOM 0 HD11 LEU A 13 -5.097 2.459 4.022 1.00 4.24 H new ATOM 0 HD12 LEU A 13 -4.848 2.081 5.743 1.00 4.24 H new ATOM 0 HD13 LEU A 13 -5.219 3.748 5.242 1.00 4.24 H new ATOM 0 HD21 LEU A 13 -3.381 3.712 2.750 1.00 23.22 H new ATOM 0 HD22 LEU A 13 -3.419 5.062 3.909 1.00 23.22 H new ATOM 0 HD23 LEU A 13 -1.880 4.246 3.543 1.00 23.22 H new ATOM 221 N GLN A 14 -0.373 3.756 8.447 1.00 2.14 N ATOM 222 CA GLN A 14 0.134 4.251 9.735 1.00 3.01 C ATOM 223 C GLN A 14 1.505 4.929 9.569 1.00 42.22 C ATOM 224 O GLN A 14 1.859 5.830 10.333 1.00 4.42 O ATOM 225 CB GLN A 14 0.233 3.105 10.756 1.00 71.32 C ATOM 226 CG GLN A 14 -1.115 2.513 11.164 1.00 65.22 C ATOM 227 CD GLN A 14 -1.923 3.422 12.081 1.00 3.23 C ATOM 228 OE1 GLN A 14 -1.810 4.643 12.041 1.00 64.51 O ATOM 229 NE2 GLN A 14 -2.747 2.830 12.920 1.00 53.32 N ATOM 0 H GLN A 14 -0.469 2.742 8.396 1.00 2.14 H new ATOM 0 HA GLN A 14 -0.573 4.993 10.106 1.00 3.01 H new ATOM 0 HB2 GLN A 14 0.854 2.313 10.337 1.00 71.32 H new ATOM 0 HB3 GLN A 14 0.742 3.471 11.648 1.00 71.32 H new ATOM 0 HG2 GLN A 14 -1.698 2.304 10.267 1.00 65.22 H new ATOM 0 HG3 GLN A 14 -0.948 1.560 11.665 1.00 65.22 H new ATOM 0 HE21 GLN A 14 -2.820 1.813 12.931 1.00 53.32 H new ATOM 0 HE22 GLN A 14 -3.312 3.389 13.559 1.00 53.32 H new ATOM 238 N MET A 15 2.276 4.480 8.574 1.00 34.33 N ATOM 239 CA MET A 15 3.540 5.137 8.219 1.00 11.24 C ATOM 240 C MET A 15 3.260 6.485 7.545 1.00 63.31 C ATOM 241 O MET A 15 3.845 7.511 7.900 1.00 45.30 O ATOM 242 CB MET A 15 4.363 4.260 7.267 1.00 73.13 C ATOM 243 CG MET A 15 4.435 2.802 7.676 1.00 71.12 C ATOM 244 SD MET A 15 5.469 1.829 6.563 1.00 40.34 S ATOM 245 CE MET A 15 5.304 0.195 7.280 1.00 21.45 C ATOM 0 H MET A 15 2.049 3.667 8.001 1.00 34.33 H new ATOM 0 HA MET A 15 4.108 5.294 9.136 1.00 11.24 H new ATOM 0 HB2 MET A 15 3.933 4.325 6.267 1.00 73.13 H new ATOM 0 HB3 MET A 15 5.375 4.660 7.206 1.00 73.13 H new ATOM 0 HG2 MET A 15 4.829 2.730 8.690 1.00 71.12 H new ATOM 0 HG3 MET A 15 3.429 2.382 7.694 1.00 71.12 H new ATOM 0 HE1 MET A 15 6.149 -0.423 6.977 1.00 21.45 H new ATOM 0 HE2 MET A 15 5.285 0.275 8.367 1.00 21.45 H new ATOM 0 HE3 MET A 15 4.377 -0.263 6.933 1.00 21.45 H new ATOM 255 N ASP A 16 2.368 6.457 6.554 1.00 2.45 N ATOM 256 CA ASP A 16 1.934 7.672 5.855 1.00 3.44 C ATOM 257 C ASP A 16 0.592 7.439 5.127 1.00 41.40 C ATOM 258 O ASP A 16 0.430 6.455 4.399 1.00 14.51 O ATOM 259 CB ASP A 16 3.014 8.119 4.859 1.00 74.21 C ATOM 260 CG ASP A 16 2.780 9.529 4.350 1.00 51.53 C ATOM 261 OD1 ASP A 16 2.011 9.705 3.391 1.00 74.32 O ATOM 262 OD2 ASP A 16 3.369 10.472 4.910 1.00 35.41 O ATOM 0 H ASP A 16 1.928 5.602 6.214 1.00 2.45 H new ATOM 0 HA ASP A 16 1.785 8.460 6.593 1.00 3.44 H new ATOM 0 HB2 ASP A 16 3.991 8.066 5.338 1.00 74.21 H new ATOM 0 HB3 ASP A 16 3.035 7.429 4.015 1.00 74.21 H new ATOM 267 N ARG A 17 -0.362 8.350 5.322 1.00 61.44 N ATOM 268 CA ARG A 17 -1.705 8.219 4.733 1.00 70.32 C ATOM 269 C ARG A 17 -1.693 8.461 3.214 1.00 61.00 C ATOM 270 O ARG A 17 -2.604 8.032 2.501 1.00 3.04 O ATOM 271 CB ARG A 17 -2.681 9.193 5.409 1.00 4.04 C ATOM 272 CG ARG A 17 -2.786 9.002 6.920 1.00 14.24 C ATOM 273 CD ARG A 17 -3.272 7.603 7.288 1.00 13.41 C ATOM 274 NE ARG A 17 -3.249 7.379 8.731 1.00 13.51 N ATOM 275 CZ ARG A 17 -3.691 6.299 9.313 1.00 13.35 C ATOM 276 NH1 ARG A 17 -4.222 5.345 8.618 1.00 20.23 N ATOM 277 NH2 ARG A 17 -3.604 6.172 10.594 1.00 1.25 N ATOM 0 H ARG A 17 -0.234 9.191 5.885 1.00 61.44 H new ATOM 0 HA ARG A 17 -2.036 7.195 4.904 1.00 70.32 H new ATOM 0 HB2 ARG A 17 -2.364 10.215 5.201 1.00 4.04 H new ATOM 0 HB3 ARG A 17 -3.669 9.070 4.966 1.00 4.04 H new ATOM 0 HG2 ARG A 17 -1.812 9.179 7.376 1.00 14.24 H new ATOM 0 HG3 ARG A 17 -3.470 9.743 7.332 1.00 14.24 H new ATOM 0 HD2 ARG A 17 -4.286 7.462 6.915 1.00 13.41 H new ATOM 0 HD3 ARG A 17 -2.645 6.860 6.795 1.00 13.41 H new ATOM 0 HE ARG A 17 -2.862 8.115 9.322 1.00 13.51 H new ATOM 0 HH11 ARG A 17 -4.298 5.434 7.605 1.00 20.23 H new ATOM 0 HH12 ARG A 17 -4.564 4.505 9.084 1.00 20.23 H new ATOM 0 HH21 ARG A 17 -3.189 6.917 11.153 1.00 1.25 H new ATOM 0 HH22 ARG A 17 -3.950 5.326 11.047 1.00 1.25 H new ATOM 291 N GLY A 18 -0.653 9.135 2.727 1.00 62.23 N ATOM 292 CA GLY A 18 -0.540 9.443 1.302 1.00 4.15 C ATOM 293 C GLY A 18 -0.227 8.223 0.439 1.00 74.33 C ATOM 294 O GLY A 18 -0.128 8.327 -0.783 1.00 63.10 O ATOM 0 H GLY A 18 0.121 9.478 3.296 1.00 62.23 H new ATOM 0 HA2 GLY A 18 -1.473 9.891 0.960 1.00 4.15 H new ATOM 0 HA3 GLY A 18 0.242 10.189 1.160 1.00 4.15 H new ATOM 298 N THR A 19 -0.069 7.063 1.074 1.00 75.32 N ATOM 299 CA THR A 19 0.174 5.804 0.358 1.00 13.12 C ATOM 300 C THR A 19 -1.127 5.207 -0.200 1.00 44.23 C ATOM 301 O THR A 19 -1.098 4.385 -1.120 1.00 24.31 O ATOM 302 CB THR A 19 0.849 4.757 1.271 1.00 43.11 C ATOM 303 OG1 THR A 19 0.017 4.483 2.406 1.00 35.22 O ATOM 304 CG2 THR A 19 2.212 5.248 1.746 1.00 63.21 C ATOM 0 H THR A 19 -0.105 6.965 2.089 1.00 75.32 H new ATOM 0 HA THR A 19 0.840 6.046 -0.470 1.00 13.12 H new ATOM 0 HB THR A 19 0.988 3.844 0.693 1.00 43.11 H new ATOM 0 HG1 THR A 19 0.176 5.158 3.099 1.00 35.22 H new ATOM 0 HG21 THR A 19 2.667 4.493 2.387 1.00 63.21 H new ATOM 0 HG22 THR A 19 2.855 5.427 0.884 1.00 63.21 H new ATOM 0 HG23 THR A 19 2.090 6.175 2.307 1.00 63.21 H new ATOM 312 N ALA A 20 -2.267 5.635 0.350 1.00 42.22 N ATOM 313 CA ALA A 20 -3.582 5.141 -0.095 1.00 33.22 C ATOM 314 C ALA A 20 -3.787 5.305 -1.620 1.00 72.01 C ATOM 315 O ALA A 20 -4.181 4.350 -2.295 1.00 43.32 O ATOM 316 CB ALA A 20 -4.704 5.823 0.686 1.00 45.44 C ATOM 0 H ALA A 20 -2.310 6.321 1.103 1.00 42.22 H new ATOM 0 HA ALA A 20 -3.613 4.071 0.113 1.00 33.22 H new ATOM 0 HB1 ALA A 20 -5.667 5.445 0.343 1.00 45.44 H new ATOM 0 HB2 ALA A 20 -4.588 5.611 1.749 1.00 45.44 H new ATOM 0 HB3 ALA A 20 -4.658 6.900 0.524 1.00 45.44 H new ATOM 322 N PRO A 21 -3.533 6.514 -2.194 1.00 2.30 N ATOM 323 CA PRO A 21 -3.589 6.724 -3.656 1.00 31.30 C ATOM 324 C PRO A 21 -2.803 5.661 -4.442 1.00 12.21 C ATOM 325 O PRO A 21 -3.264 5.163 -5.470 1.00 64.35 O ATOM 326 CB PRO A 21 -2.940 8.102 -3.842 1.00 61.42 C ATOM 327 CG PRO A 21 -3.177 8.817 -2.557 1.00 62.33 C ATOM 328 CD PRO A 21 -3.205 7.765 -1.476 1.00 3.11 C ATOM 0 HA PRO A 21 -4.610 6.656 -4.031 1.00 31.30 H new ATOM 0 HB2 PRO A 21 -1.874 8.011 -4.052 1.00 61.42 H new ATOM 0 HB3 PRO A 21 -3.386 8.638 -4.680 1.00 61.42 H new ATOM 0 HG2 PRO A 21 -2.389 9.546 -2.368 1.00 62.33 H new ATOM 0 HG3 PRO A 21 -4.118 9.366 -2.587 1.00 62.33 H new ATOM 0 HD2 PRO A 21 -2.244 7.692 -0.967 1.00 3.11 H new ATOM 0 HD3 PRO A 21 -3.952 7.995 -0.716 1.00 3.11 H new ATOM 336 N ILE A 22 -1.617 5.316 -3.940 1.00 65.42 N ATOM 337 CA ILE A 22 -0.763 4.300 -4.573 1.00 54.21 C ATOM 338 C ILE A 22 -1.464 2.931 -4.626 1.00 74.31 C ATOM 339 O ILE A 22 -1.444 2.246 -5.655 1.00 2.24 O ATOM 340 CB ILE A 22 0.582 4.155 -3.821 1.00 35.43 C ATOM 341 CG1 ILE A 22 1.283 5.520 -3.730 1.00 62.02 C ATOM 342 CG2 ILE A 22 1.483 3.126 -4.509 1.00 40.23 C ATOM 343 CD1 ILE A 22 2.560 5.504 -2.920 1.00 23.31 C ATOM 0 H ILE A 22 -1.221 5.725 -3.094 1.00 65.42 H new ATOM 0 HA ILE A 22 -0.570 4.638 -5.591 1.00 54.21 H new ATOM 0 HB ILE A 22 0.380 3.798 -2.811 1.00 35.43 H new ATOM 0 HG12 ILE A 22 1.509 5.869 -4.738 1.00 62.02 H new ATOM 0 HG13 ILE A 22 0.595 6.242 -3.290 1.00 62.02 H new ATOM 0 HG21 ILE A 22 2.422 3.042 -3.962 1.00 40.23 H new ATOM 0 HG22 ILE A 22 0.984 2.157 -4.524 1.00 40.23 H new ATOM 0 HG23 ILE A 22 1.686 3.446 -5.531 1.00 40.23 H new ATOM 0 HD11 ILE A 22 2.993 6.504 -2.904 1.00 23.31 H new ATOM 0 HD12 ILE A 22 2.340 5.187 -1.900 1.00 23.31 H new ATOM 0 HD13 ILE A 22 3.268 4.809 -3.371 1.00 23.31 H new ATOM 355 N PHE A 23 -2.081 2.536 -3.511 1.00 0.44 N ATOM 356 CA PHE A 23 -2.891 1.314 -3.476 1.00 42.21 C ATOM 357 C PHE A 23 -4.030 1.393 -4.506 1.00 44.34 C ATOM 358 O PHE A 23 -4.261 0.456 -5.276 1.00 52.23 O ATOM 359 CB PHE A 23 -3.470 1.080 -2.070 1.00 4.15 C ATOM 360 CG PHE A 23 -2.433 0.746 -1.023 1.00 4.32 C ATOM 361 CD1 PHE A 23 -1.781 -0.476 -1.051 1.00 63.23 C ATOM 362 CD2 PHE A 23 -2.117 1.645 -0.013 1.00 71.50 C ATOM 363 CE1 PHE A 23 -0.837 -0.795 -0.096 1.00 1.03 C ATOM 364 CE2 PHE A 23 -1.172 1.328 0.946 1.00 44.22 C ATOM 365 CZ PHE A 23 -0.531 0.106 0.902 1.00 40.52 C ATOM 0 H PHE A 23 -2.037 3.040 -2.625 1.00 0.44 H new ATOM 0 HA PHE A 23 -2.244 0.474 -3.728 1.00 42.21 H new ATOM 0 HB2 PHE A 23 -4.011 1.974 -1.758 1.00 4.15 H new ATOM 0 HB3 PHE A 23 -4.196 0.269 -2.118 1.00 4.15 H new ATOM 0 HD1 PHE A 23 -2.014 -1.187 -1.829 1.00 63.23 H new ATOM 0 HD2 PHE A 23 -2.615 2.603 0.024 1.00 71.50 H new ATOM 0 HE1 PHE A 23 -0.337 -1.752 -0.130 1.00 1.03 H new ATOM 0 HE2 PHE A 23 -0.936 2.035 1.728 1.00 44.22 H new ATOM 0 HZ PHE A 23 0.209 -0.144 1.648 1.00 40.52 H new ATOM 375 N ILE A 24 -4.727 2.529 -4.521 1.00 45.31 N ATOM 376 CA ILE A 24 -5.820 2.764 -5.474 1.00 53.34 C ATOM 377 C ILE A 24 -5.327 2.664 -6.930 1.00 62.45 C ATOM 378 O ILE A 24 -6.016 2.115 -7.793 1.00 52.22 O ATOM 379 CB ILE A 24 -6.473 4.153 -5.241 1.00 41.33 C ATOM 380 CG1 ILE A 24 -7.028 4.254 -3.809 1.00 62.14 C ATOM 381 CG2 ILE A 24 -7.578 4.416 -6.264 1.00 32.22 C ATOM 382 CD1 ILE A 24 -7.610 5.613 -3.467 1.00 41.13 C ATOM 0 H ILE A 24 -4.556 3.306 -3.883 1.00 45.31 H new ATOM 0 HA ILE A 24 -6.566 1.987 -5.304 1.00 53.34 H new ATOM 0 HB ILE A 24 -5.704 4.915 -5.370 1.00 41.33 H new ATOM 0 HG12 ILE A 24 -7.799 3.496 -3.675 1.00 62.14 H new ATOM 0 HG13 ILE A 24 -6.229 4.024 -3.104 1.00 62.14 H new ATOM 0 HG21 ILE A 24 -8.019 5.395 -6.079 1.00 32.22 H new ATOM 0 HG22 ILE A 24 -7.157 4.392 -7.269 1.00 32.22 H new ATOM 0 HG23 ILE A 24 -8.347 3.649 -6.174 1.00 32.22 H new ATOM 0 HD11 ILE A 24 -7.980 5.603 -2.442 1.00 41.13 H new ATOM 0 HD12 ILE A 24 -6.837 6.375 -3.567 1.00 41.13 H new ATOM 0 HD13 ILE A 24 -8.432 5.838 -4.147 1.00 41.13 H new ATOM 394 N ASN A 25 -4.125 3.179 -7.183 1.00 64.40 N ATOM 395 CA ASN A 25 -3.508 3.136 -8.519 1.00 24.10 C ATOM 396 C ASN A 25 -3.352 1.688 -9.025 1.00 4.23 C ATOM 397 O ASN A 25 -3.516 1.412 -10.213 1.00 44.54 O ATOM 398 CB ASN A 25 -2.139 3.840 -8.479 1.00 42.21 C ATOM 399 CG ASN A 25 -1.452 3.907 -9.836 1.00 21.32 C ATOM 400 OD1 ASN A 25 -2.097 3.941 -10.878 1.00 52.34 O ATOM 401 ND2 ASN A 25 -0.132 3.936 -9.835 1.00 25.21 N ATOM 0 H ASN A 25 -3.550 3.637 -6.476 1.00 64.40 H new ATOM 0 HA ASN A 25 -4.165 3.657 -9.215 1.00 24.10 H new ATOM 0 HB2 ASN A 25 -2.271 4.852 -8.097 1.00 42.21 H new ATOM 0 HB3 ASN A 25 -1.490 3.316 -7.777 1.00 42.21 H new ATOM 0 HD21 ASN A 25 0.378 3.988 -10.717 1.00 25.21 H new ATOM 0 HD22 ASN A 25 0.378 3.906 -8.952 1.00 25.21 H new ATOM 408 N ASN A 26 -3.047 0.768 -8.111 1.00 24.11 N ATOM 409 CA ASN A 26 -2.854 -0.648 -8.464 1.00 53.01 C ATOM 410 C ASN A 26 -4.173 -1.443 -8.468 1.00 74.02 C ATOM 411 O ASN A 26 -4.171 -2.656 -8.667 1.00 50.11 O ATOM 412 CB ASN A 26 -1.842 -1.295 -7.509 1.00 63.45 C ATOM 413 CG ASN A 26 -0.415 -0.902 -7.841 1.00 10.50 C ATOM 414 OD1 ASN A 26 0.277 -1.600 -8.572 1.00 14.41 O ATOM 415 ND2 ASN A 26 0.037 0.224 -7.322 1.00 13.31 N ATOM 0 H ASN A 26 -2.927 0.972 -7.119 1.00 24.11 H new ATOM 0 HA ASN A 26 -2.465 -0.677 -9.482 1.00 53.01 H new ATOM 0 HB2 ASN A 26 -2.070 -1.000 -6.485 1.00 63.45 H new ATOM 0 HB3 ASN A 26 -1.940 -2.380 -7.558 1.00 63.45 H new ATOM 0 HD21 ASN A 26 0.987 0.535 -7.526 1.00 13.31 H new ATOM 0 HD22 ASN A 26 -0.564 0.784 -6.717 1.00 13.31 H new ATOM 422 N GLY A 27 -5.297 -0.761 -8.253 1.00 74.52 N ATOM 423 CA GLY A 27 -6.599 -1.419 -8.351 1.00 35.21 C ATOM 424 C GLY A 27 -7.260 -1.721 -7.005 1.00 23.32 C ATOM 425 O GLY A 27 -8.287 -2.399 -6.959 1.00 72.22 O ATOM 0 H GLY A 27 -5.334 0.230 -8.014 1.00 74.52 H new ATOM 0 HA2 GLY A 27 -7.268 -0.788 -8.936 1.00 35.21 H new ATOM 0 HA3 GLY A 27 -6.480 -2.353 -8.900 1.00 35.21 H new ATOM 429 N MET A 28 -6.683 -1.232 -5.909 1.00 23.31 N ATOM 430 CA MET A 28 -7.308 -1.390 -4.588 1.00 51.53 C ATOM 431 C MET A 28 -8.571 -0.520 -4.456 1.00 21.32 C ATOM 432 O MET A 28 -8.860 0.317 -5.312 1.00 73.35 O ATOM 433 CB MET A 28 -6.314 -1.041 -3.475 1.00 44.22 C ATOM 434 CG MET A 28 -5.162 -2.027 -3.351 1.00 2.15 C ATOM 435 SD MET A 28 -5.708 -3.653 -2.800 1.00 11.21 S ATOM 436 CE MET A 28 -4.140 -4.500 -2.623 1.00 40.14 C ATOM 0 H MET A 28 -5.796 -0.729 -5.903 1.00 23.31 H new ATOM 0 HA MET A 28 -7.602 -2.435 -4.487 1.00 51.53 H new ATOM 0 HB2 MET A 28 -5.910 -0.046 -3.660 1.00 44.22 H new ATOM 0 HB3 MET A 28 -6.847 -0.997 -2.525 1.00 44.22 H new ATOM 0 HG2 MET A 28 -4.663 -2.122 -4.315 1.00 2.15 H new ATOM 0 HG3 MET A 28 -4.426 -1.636 -2.648 1.00 2.15 H new ATOM 0 HE1 MET A 28 -4.317 -5.563 -2.461 1.00 40.14 H new ATOM 0 HE2 MET A 28 -3.549 -4.364 -3.529 1.00 40.14 H new ATOM 0 HE3 MET A 28 -3.598 -4.089 -1.771 1.00 40.14 H new ATOM 572 N GLU A 39 -5.315 -6.873 6.573 1.00 73.24 N ATOM 573 CA GLU A 39 -4.453 -7.945 6.068 1.00 73.31 C ATOM 574 C GLU A 39 -3.190 -7.403 5.375 1.00 53.45 C ATOM 575 O GLU A 39 -2.997 -6.188 5.250 1.00 2.14 O ATOM 576 CB GLU A 39 -5.253 -8.821 5.103 1.00 14.53 C ATOM 577 CG GLU A 39 -6.480 -9.447 5.750 1.00 55.20 C ATOM 578 CD GLU A 39 -6.133 -10.446 6.845 1.00 3.21 C ATOM 579 OE1 GLU A 39 -5.668 -11.556 6.521 1.00 21.50 O ATOM 580 OE2 GLU A 39 -6.312 -10.124 8.040 1.00 2.11 O ATOM 0 HA GLU A 39 -4.117 -8.536 6.920 1.00 73.31 H new ATOM 0 HB2 GLU A 39 -5.566 -8.220 4.249 1.00 14.53 H new ATOM 0 HB3 GLU A 39 -4.608 -9.611 4.718 1.00 14.53 H new ATOM 0 HG2 GLU A 39 -7.104 -8.658 6.170 1.00 55.20 H new ATOM 0 HG3 GLU A 39 -7.072 -9.948 4.984 1.00 55.20 H new ATOM 587 N SER A 40 -2.330 -8.313 4.920 1.00 23.32 N ATOM 588 CA SER A 40 -1.059 -7.928 4.294 1.00 24.20 C ATOM 589 C SER A 40 -1.264 -7.477 2.846 1.00 14.34 C ATOM 590 O SER A 40 -2.293 -7.771 2.229 1.00 72.34 O ATOM 591 CB SER A 40 -0.062 -9.095 4.327 1.00 41.04 C ATOM 592 OG SER A 40 -0.495 -10.161 3.500 1.00 42.32 O ATOM 0 H SER A 40 -2.486 -9.320 4.971 1.00 23.32 H new ATOM 0 HA SER A 40 -0.657 -7.092 4.866 1.00 24.20 H new ATOM 0 HB2 SER A 40 0.918 -8.750 3.997 1.00 41.04 H new ATOM 0 HB3 SER A 40 0.054 -9.449 5.351 1.00 41.04 H new ATOM 0 HG SER A 40 0.158 -10.891 3.538 1.00 42.32 H new ATOM 598 N ILE A 41 -0.283 -6.759 2.303 1.00 35.11 N ATOM 599 CA ILE A 41 -0.346 -6.289 0.921 1.00 72.12 C ATOM 600 C ILE A 41 -0.540 -7.451 -0.069 1.00 43.13 C ATOM 601 O ILE A 41 -1.399 -7.390 -0.949 1.00 72.34 O ATOM 602 CB ILE A 41 0.937 -5.510 0.568 1.00 75.51 C ATOM 603 CG1 ILE A 41 1.097 -4.315 1.524 1.00 11.11 C ATOM 604 CG2 ILE A 41 0.912 -5.042 -0.888 1.00 70.25 C ATOM 605 CD1 ILE A 41 2.530 -3.900 1.741 1.00 51.11 C ATOM 0 H ILE A 41 0.566 -6.490 2.800 1.00 35.11 H new ATOM 0 HA ILE A 41 -1.210 -5.630 0.836 1.00 72.12 H new ATOM 0 HB ILE A 41 1.793 -6.174 0.685 1.00 75.51 H new ATOM 0 HG12 ILE A 41 0.538 -3.467 1.128 1.00 11.11 H new ATOM 0 HG13 ILE A 41 0.652 -4.569 2.486 1.00 11.11 H new ATOM 0 HG21 ILE A 41 1.828 -4.495 -1.110 1.00 70.25 H new ATOM 0 HG22 ILE A 41 0.836 -5.907 -1.547 1.00 70.25 H new ATOM 0 HG23 ILE A 41 0.053 -4.390 -1.046 1.00 70.25 H new ATOM 0 HD11 ILE A 41 2.564 -3.053 2.426 1.00 51.11 H new ATOM 0 HD12 ILE A 41 3.090 -4.733 2.167 1.00 51.11 H new ATOM 0 HD13 ILE A 41 2.974 -3.614 0.788 1.00 51.11 H new ATOM 617 N GLU A 42 0.258 -8.511 0.085 1.00 34.03 N ATOM 618 CA GLU A 42 0.147 -9.694 -0.783 1.00 4.22 C ATOM 619 C GLU A 42 -1.231 -10.370 -0.651 1.00 70.13 C ATOM 620 O GLU A 42 -1.843 -10.750 -1.652 1.00 42.20 O ATOM 621 CB GLU A 42 1.273 -10.701 -0.477 1.00 62.15 C ATOM 622 CG GLU A 42 1.360 -11.122 0.989 1.00 62.20 C ATOM 623 CD GLU A 42 2.393 -12.214 1.231 1.00 4.13 C ATOM 624 OE1 GLU A 42 3.605 -11.914 1.196 1.00 74.03 O ATOM 625 OE2 GLU A 42 1.997 -13.383 1.452 1.00 32.13 O ATOM 0 H GLU A 42 0.985 -8.578 0.797 1.00 34.03 H new ATOM 0 HA GLU A 42 0.251 -9.354 -1.813 1.00 4.22 H new ATOM 0 HB2 GLU A 42 1.125 -11.590 -1.090 1.00 62.15 H new ATOM 0 HB3 GLU A 42 2.226 -10.264 -0.774 1.00 62.15 H new ATOM 0 HG2 GLU A 42 1.608 -10.252 1.597 1.00 62.20 H new ATOM 0 HG3 GLU A 42 0.383 -11.474 1.320 1.00 62.20 H new ATOM 632 N ASP A 43 -1.719 -10.504 0.585 1.00 74.54 N ATOM 633 CA ASP A 43 -3.024 -11.105 0.853 1.00 3.53 C ATOM 634 C ASP A 43 -4.165 -10.332 0.175 1.00 74.13 C ATOM 635 O ASP A 43 -4.981 -10.916 -0.543 1.00 12.25 O ATOM 636 CB ASP A 43 -3.243 -11.178 2.370 1.00 42.31 C ATOM 637 CG ASP A 43 -2.590 -12.398 2.995 1.00 5.41 C ATOM 638 OD1 ASP A 43 -1.491 -12.785 2.554 1.00 32.00 O ATOM 639 OD2 ASP A 43 -3.175 -12.978 3.934 1.00 64.10 O ATOM 0 H ASP A 43 -1.222 -10.200 1.422 1.00 74.54 H new ATOM 0 HA ASP A 43 -3.032 -12.110 0.431 1.00 3.53 H new ATOM 0 HB2 ASP A 43 -2.842 -10.277 2.835 1.00 42.31 H new ATOM 0 HB3 ASP A 43 -4.313 -11.196 2.579 1.00 42.31 H new ATOM 644 N ALA A 44 -4.213 -9.020 0.401 1.00 65.01 N ATOM 645 CA ALA A 44 -5.244 -8.166 -0.200 1.00 71.31 C ATOM 646 C ALA A 44 -5.152 -8.162 -1.737 1.00 14.42 C ATOM 647 O ALA A 44 -6.163 -8.309 -2.431 1.00 1.14 O ATOM 648 CB ALA A 44 -5.136 -6.746 0.345 1.00 32.54 C ATOM 0 H ALA A 44 -3.551 -8.522 0.996 1.00 65.01 H new ATOM 0 HA ALA A 44 -6.217 -8.577 0.070 1.00 71.31 H new ATOM 0 HB1 ALA A 44 -5.906 -6.123 -0.109 1.00 32.54 H new ATOM 0 HB2 ALA A 44 -5.271 -6.760 1.427 1.00 32.54 H new ATOM 0 HB3 ALA A 44 -4.153 -6.339 0.107 1.00 32.54 H new ATOM 654 N CYS A 45 -3.935 -7.998 -2.265 1.00 73.41 N ATOM 655 CA CYS A 45 -3.708 -8.039 -3.721 1.00 60.01 C ATOM 656 C CYS A 45 -4.274 -9.327 -4.334 1.00 13.11 C ATOM 657 O CYS A 45 -4.967 -9.284 -5.349 1.00 32.14 O ATOM 658 CB CYS A 45 -2.210 -7.928 -4.046 1.00 71.41 C ATOM 659 SG CYS A 45 -1.468 -6.340 -3.606 1.00 35.05 S ATOM 0 H CYS A 45 -3.093 -7.836 -1.713 1.00 73.41 H new ATOM 0 HA CYS A 45 -4.229 -7.186 -4.156 1.00 60.01 H new ATOM 0 HB2 CYS A 45 -1.677 -8.722 -3.523 1.00 71.41 H new ATOM 0 HB3 CYS A 45 -2.068 -8.099 -5.113 1.00 71.41 H new ATOM 0 HG CYS A 45 -1.122 -6.355 -2.353 1.00 35.05 H new ATOM 665 N ALA A 46 -3.991 -10.466 -3.703 1.00 64.53 N ATOM 666 CA ALA A 46 -4.479 -11.766 -4.182 1.00 74.31 C ATOM 667 C ALA A 46 -6.014 -11.795 -4.308 1.00 34.21 C ATOM 668 O ALA A 46 -6.557 -12.428 -5.215 1.00 31.31 O ATOM 669 CB ALA A 46 -3.997 -12.880 -3.258 1.00 42.55 C ATOM 0 H ALA A 46 -3.425 -10.518 -2.856 1.00 64.53 H new ATOM 0 HA ALA A 46 -4.070 -11.926 -5.180 1.00 74.31 H new ATOM 0 HB1 ALA A 46 -4.364 -13.839 -3.622 1.00 42.55 H new ATOM 0 HB2 ALA A 46 -2.907 -12.892 -3.240 1.00 42.55 H new ATOM 0 HB3 ALA A 46 -4.374 -12.706 -2.250 1.00 42.55 H new ATOM 675 N VAL A 47 -6.708 -11.102 -3.400 1.00 42.00 N ATOM 676 CA VAL A 47 -8.178 -11.032 -3.432 1.00 20.24 C ATOM 677 C VAL A 47 -8.683 -10.341 -4.714 1.00 3.52 C ATOM 678 O VAL A 47 -9.604 -10.826 -5.376 1.00 63.11 O ATOM 679 CB VAL A 47 -8.734 -10.274 -2.197 1.00 42.13 C ATOM 680 CG1 VAL A 47 -10.262 -10.230 -2.225 1.00 31.44 C ATOM 681 CG2 VAL A 47 -8.236 -10.910 -0.900 1.00 32.33 C ATOM 0 H VAL A 47 -6.280 -10.582 -2.634 1.00 42.00 H new ATOM 0 HA VAL A 47 -8.540 -12.060 -3.416 1.00 20.24 H new ATOM 0 HB VAL A 47 -8.365 -9.249 -2.238 1.00 42.13 H new ATOM 0 HG11 VAL A 47 -10.627 -9.694 -1.349 1.00 31.44 H new ATOM 0 HG12 VAL A 47 -10.595 -9.719 -3.128 1.00 31.44 H new ATOM 0 HG13 VAL A 47 -10.655 -11.246 -2.218 1.00 31.44 H new ATOM 0 HG21 VAL A 47 -8.639 -10.362 -0.048 1.00 32.33 H new ATOM 0 HG22 VAL A 47 -8.567 -11.948 -0.853 1.00 32.33 H new ATOM 0 HG23 VAL A 47 -7.147 -10.875 -0.872 1.00 32.33 H new ATOM 691 N HIS A 48 -8.069 -9.209 -5.060 1.00 64.14 N ATOM 692 CA HIS A 48 -8.455 -8.442 -6.256 1.00 53.01 C ATOM 693 C HIS A 48 -7.683 -8.909 -7.508 1.00 54.30 C ATOM 694 O HIS A 48 -8.003 -8.512 -8.628 1.00 22.32 O ATOM 695 CB HIS A 48 -8.211 -6.943 -6.002 1.00 14.54 C ATOM 696 CG HIS A 48 -8.676 -6.036 -7.112 1.00 32.32 C ATOM 697 ND1 HIS A 48 -8.045 -5.598 -8.232 1.00 4.33 N flip ATOM 698 CD2 HIS A 48 -9.923 -5.450 -7.137 1.00 55.41 C flip ATOM 699 CE1 HIS A 48 -8.913 -4.771 -8.893 1.00 41.11 C flip ATOM 700 NE2 HIS A 48 -10.038 -4.699 -8.216 1.00 23.50 N flip ATOM 0 H HIS A 48 -7.300 -8.798 -4.531 1.00 64.14 H new ATOM 0 HA HIS A 48 -9.514 -8.614 -6.447 1.00 53.01 H new ATOM 0 HB2 HIS A 48 -8.717 -6.657 -5.080 1.00 14.54 H new ATOM 0 HB3 HIS A 48 -7.145 -6.784 -5.843 1.00 14.54 H new ATOM 0 HD2 HIS A 48 -10.689 -5.585 -6.388 1.00 55.41 H new ATOM 0 HE1 HIS A 48 -8.707 -4.260 -9.822 1.00 41.11 H new ATOM 0 HE2 HIS A 48 -10.860 -4.155 -8.480 1.00 23.50 H new ATOM 709 N GLY A 49 -6.670 -9.750 -7.315 1.00 72.15 N ATOM 710 CA GLY A 49 -5.848 -10.212 -8.433 1.00 41.21 C ATOM 711 C GLY A 49 -4.838 -9.165 -8.897 1.00 72.14 C ATOM 712 O GLY A 49 -4.581 -9.019 -10.094 1.00 25.43 O ATOM 0 H GLY A 49 -6.399 -10.123 -6.405 1.00 72.15 H new ATOM 0 HA2 GLY A 49 -5.317 -11.117 -8.138 1.00 41.21 H new ATOM 0 HA3 GLY A 49 -6.496 -10.480 -9.268 1.00 41.21 H new ATOM 716 N ILE A 50 -4.269 -8.434 -7.942 1.00 54.33 N ATOM 717 CA ILE A 50 -3.274 -7.392 -8.228 1.00 0.33 C ATOM 718 C ILE A 50 -1.845 -7.948 -8.146 1.00 42.13 C ATOM 719 O ILE A 50 -1.576 -8.893 -7.402 1.00 51.22 O ATOM 720 CB ILE A 50 -3.394 -6.212 -7.226 1.00 22.04 C ATOM 721 CG1 ILE A 50 -4.847 -5.720 -7.144 1.00 21.45 C ATOM 722 CG2 ILE A 50 -2.455 -5.068 -7.617 1.00 22.21 C ATOM 723 CD1 ILE A 50 -5.057 -4.572 -6.178 1.00 61.34 C ATOM 0 H ILE A 50 -4.480 -8.543 -6.950 1.00 54.33 H new ATOM 0 HA ILE A 50 -3.473 -7.039 -9.240 1.00 0.33 H new ATOM 0 HB ILE A 50 -3.097 -6.570 -6.240 1.00 22.04 H new ATOM 0 HG12 ILE A 50 -5.171 -5.409 -8.137 1.00 21.45 H new ATOM 0 HG13 ILE A 50 -5.485 -6.552 -6.847 1.00 21.45 H new ATOM 0 HG21 ILE A 50 -2.557 -4.253 -6.901 1.00 22.21 H new ATOM 0 HG22 ILE A 50 -1.425 -5.426 -7.616 1.00 22.21 H new ATOM 0 HG23 ILE A 50 -2.713 -4.710 -8.613 1.00 22.21 H new ATOM 0 HD11 ILE A 50 -6.108 -4.284 -6.179 1.00 61.34 H new ATOM 0 HD12 ILE A 50 -4.767 -4.883 -5.175 1.00 61.34 H new ATOM 0 HD13 ILE A 50 -4.447 -3.722 -6.485 1.00 61.34 H new ATOM 735 N ASP A 51 -0.934 -7.351 -8.908 1.00 74.33 N ATOM 736 CA ASP A 51 0.483 -7.699 -8.827 1.00 72.43 C ATOM 737 C ASP A 51 1.143 -6.986 -7.632 1.00 52.21 C ATOM 738 O ASP A 51 1.441 -5.789 -7.692 1.00 4.14 O ATOM 739 CB ASP A 51 1.196 -7.324 -10.130 1.00 22.43 C ATOM 740 CG ASP A 51 2.632 -7.811 -10.153 1.00 0.31 C ATOM 741 OD1 ASP A 51 2.862 -8.976 -10.535 1.00 74.24 O ATOM 742 OD2 ASP A 51 3.534 -7.042 -9.775 1.00 74.14 O ATOM 0 H ASP A 51 -1.150 -6.623 -9.589 1.00 74.33 H new ATOM 0 HA ASP A 51 0.569 -8.775 -8.679 1.00 72.43 H new ATOM 0 HB2 ASP A 51 0.655 -7.750 -10.975 1.00 22.43 H new ATOM 0 HB3 ASP A 51 1.178 -6.241 -10.254 1.00 22.43 H new ATOM 747 N ALA A 52 1.353 -7.722 -6.543 1.00 21.13 N ATOM 748 CA ALA A 52 1.927 -7.147 -5.324 1.00 64.00 C ATOM 749 C ALA A 52 3.395 -6.736 -5.513 1.00 2.53 C ATOM 750 O ALA A 52 3.898 -5.872 -4.792 1.00 14.41 O ATOM 751 CB ALA A 52 1.794 -8.128 -4.164 1.00 74.15 C ATOM 0 H ALA A 52 1.135 -8.716 -6.477 1.00 21.13 H new ATOM 0 HA ALA A 52 1.365 -6.241 -5.095 1.00 64.00 H new ATOM 0 HB1 ALA A 52 2.225 -7.688 -3.264 1.00 74.15 H new ATOM 0 HB2 ALA A 52 0.740 -8.347 -3.992 1.00 74.15 H new ATOM 0 HB3 ALA A 52 2.322 -9.051 -4.405 1.00 74.15 H new ATOM 757 N ASP A 53 4.079 -7.356 -6.477 1.00 21.31 N ATOM 758 CA ASP A 53 5.478 -7.025 -6.767 1.00 34.25 C ATOM 759 C ASP A 53 5.618 -5.532 -7.102 1.00 15.15 C ATOM 760 O ASP A 53 6.436 -4.824 -6.509 1.00 71.33 O ATOM 761 CB ASP A 53 5.994 -7.891 -7.926 1.00 12.25 C ATOM 762 CG ASP A 53 7.483 -7.727 -8.177 1.00 13.33 C ATOM 763 OD1 ASP A 53 7.873 -6.833 -8.958 1.00 61.00 O ATOM 764 OD2 ASP A 53 8.276 -8.496 -7.599 1.00 65.12 O ATOM 0 H ASP A 53 3.689 -8.089 -7.070 1.00 21.31 H new ATOM 0 HA ASP A 53 6.080 -7.233 -5.882 1.00 34.25 H new ATOM 0 HB2 ASP A 53 5.781 -8.938 -7.712 1.00 12.25 H new ATOM 0 HB3 ASP A 53 5.448 -7.634 -8.834 1.00 12.25 H new ATOM 769 N LYS A 54 4.788 -5.061 -8.029 1.00 11.10 N ATOM 770 CA LYS A 54 4.801 -3.657 -8.448 1.00 53.50 C ATOM 771 C LYS A 54 4.266 -2.723 -7.351 1.00 73.03 C ATOM 772 O LYS A 54 4.889 -1.707 -7.039 1.00 4.43 O ATOM 773 CB LYS A 54 3.976 -3.480 -9.728 1.00 41.22 C ATOM 774 CG LYS A 54 4.560 -4.199 -10.941 1.00 70.33 C ATOM 775 CD LYS A 54 3.709 -3.985 -12.190 1.00 42.30 C ATOM 776 CE LYS A 54 3.598 -2.508 -12.549 1.00 22.01 C ATOM 777 NZ LYS A 54 2.741 -2.280 -13.740 1.00 45.22 N ATOM 0 H LYS A 54 4.093 -5.633 -8.509 1.00 11.10 H new ATOM 0 HA LYS A 54 5.839 -3.384 -8.639 1.00 53.50 H new ATOM 0 HB2 LYS A 54 2.965 -3.847 -9.551 1.00 41.22 H new ATOM 0 HB3 LYS A 54 3.894 -2.416 -9.952 1.00 41.22 H new ATOM 0 HG2 LYS A 54 5.572 -3.839 -11.125 1.00 70.33 H new ATOM 0 HG3 LYS A 54 4.635 -5.266 -10.730 1.00 70.33 H new ATOM 0 HD2 LYS A 54 4.146 -4.531 -13.026 1.00 42.30 H new ATOM 0 HD3 LYS A 54 2.713 -4.396 -12.027 1.00 42.30 H new ATOM 0 HE2 LYS A 54 3.190 -1.960 -11.700 1.00 22.01 H new ATOM 0 HE3 LYS A 54 4.594 -2.107 -12.738 1.00 22.01 H new ATOM 0 HZ1 LYS A 54 2.696 -1.261 -13.945 1.00 45.22 H new ATOM 0 HZ2 LYS A 54 3.143 -2.781 -14.558 1.00 45.22 H new ATOM 0 HZ3 LYS A 54 1.783 -2.638 -13.552 1.00 45.22 H new ATOM 791 N LEU A 55 3.116 -3.073 -6.765 1.00 42.12 N ATOM 792 CA LEU A 55 2.481 -2.236 -5.736 1.00 65.44 C ATOM 793 C LEU A 55 3.457 -1.892 -4.601 1.00 11.32 C ATOM 794 O LEU A 55 3.650 -0.721 -4.263 1.00 4.24 O ATOM 795 CB LEU A 55 1.237 -2.943 -5.173 1.00 35.32 C ATOM 796 CG LEU A 55 0.558 -2.250 -3.976 1.00 62.11 C ATOM 797 CD1 LEU A 55 0.225 -0.794 -4.294 1.00 45.22 C ATOM 798 CD2 LEU A 55 -0.702 -3.006 -3.564 1.00 3.31 C ATOM 0 H LEU A 55 2.605 -3.928 -6.984 1.00 42.12 H new ATOM 0 HA LEU A 55 2.181 -1.300 -6.207 1.00 65.44 H new ATOM 0 HB2 LEU A 55 0.505 -3.043 -5.974 1.00 35.32 H new ATOM 0 HB3 LEU A 55 1.520 -3.952 -4.872 1.00 35.32 H new ATOM 0 HG LEU A 55 1.261 -2.260 -3.143 1.00 62.11 H new ATOM 0 HD11 LEU A 55 -0.253 -0.333 -3.430 1.00 45.22 H new ATOM 0 HD12 LEU A 55 1.142 -0.255 -4.532 1.00 45.22 H new ATOM 0 HD13 LEU A 55 -0.452 -0.754 -5.147 1.00 45.22 H new ATOM 0 HD21 LEU A 55 -1.168 -2.502 -2.717 1.00 3.31 H new ATOM 0 HD22 LEU A 55 -1.401 -3.032 -4.400 1.00 3.31 H new ATOM 0 HD23 LEU A 55 -0.438 -4.025 -3.280 1.00 3.31 H new ATOM 810 N VAL A 56 4.082 -2.912 -4.029 1.00 74.35 N ATOM 811 CA VAL A 56 5.031 -2.720 -2.930 1.00 44.32 C ATOM 812 C VAL A 56 6.226 -1.855 -3.354 1.00 74.21 C ATOM 813 O VAL A 56 6.686 -0.997 -2.600 1.00 5.20 O ATOM 814 CB VAL A 56 5.540 -4.078 -2.398 1.00 22.52 C ATOM 815 CG1 VAL A 56 6.582 -3.891 -1.297 1.00 55.51 C ATOM 816 CG2 VAL A 56 4.371 -4.921 -1.905 1.00 1.42 C ATOM 0 H VAL A 56 3.951 -3.885 -4.306 1.00 74.35 H new ATOM 0 HA VAL A 56 4.495 -2.200 -2.136 1.00 44.32 H new ATOM 0 HB VAL A 56 6.027 -4.604 -3.219 1.00 22.52 H new ATOM 0 HG11 VAL A 56 6.919 -4.866 -0.945 1.00 55.51 H new ATOM 0 HG12 VAL A 56 7.432 -3.334 -1.691 1.00 55.51 H new ATOM 0 HG13 VAL A 56 6.140 -3.339 -0.468 1.00 55.51 H new ATOM 0 HG21 VAL A 56 4.742 -5.876 -1.533 1.00 1.42 H new ATOM 0 HG22 VAL A 56 3.855 -4.394 -1.102 1.00 1.42 H new ATOM 0 HG23 VAL A 56 3.677 -5.097 -2.727 1.00 1.42 H new ATOM 826 N LYS A 57 6.724 -2.074 -4.563 1.00 64.44 N ATOM 827 CA LYS A 57 7.868 -1.316 -5.069 1.00 1.02 C ATOM 828 C LYS A 57 7.500 0.151 -5.351 1.00 45.21 C ATOM 829 O LYS A 57 8.349 1.034 -5.242 1.00 34.22 O ATOM 830 CB LYS A 57 8.438 -2.003 -6.315 1.00 32.24 C ATOM 831 CG LYS A 57 9.072 -3.356 -5.999 1.00 41.20 C ATOM 832 CD LYS A 57 9.512 -4.108 -7.249 1.00 64.41 C ATOM 833 CE LYS A 57 10.099 -5.469 -6.889 1.00 33.24 C ATOM 834 NZ LYS A 57 10.433 -6.266 -8.092 1.00 42.43 N ATOM 0 H LYS A 57 6.357 -2.769 -5.214 1.00 64.44 H new ATOM 0 HA LYS A 57 8.638 -1.301 -4.298 1.00 1.02 H new ATOM 0 HB2 LYS A 57 7.642 -2.141 -7.046 1.00 32.24 H new ATOM 0 HB3 LYS A 57 9.184 -1.354 -6.774 1.00 32.24 H new ATOM 0 HG2 LYS A 57 9.934 -3.205 -5.349 1.00 41.20 H new ATOM 0 HG3 LYS A 57 8.358 -3.966 -5.446 1.00 41.20 H new ATOM 0 HD2 LYS A 57 8.661 -4.240 -7.917 1.00 64.41 H new ATOM 0 HD3 LYS A 57 10.253 -3.520 -7.790 1.00 64.41 H new ATOM 0 HE2 LYS A 57 10.997 -5.329 -6.287 1.00 33.24 H new ATOM 0 HE3 LYS A 57 9.386 -6.020 -6.275 1.00 33.24 H new ATOM 0 HZ1 LYS A 57 10.781 -7.202 -7.802 1.00 42.43 H new ATOM 0 HZ2 LYS A 57 9.583 -6.379 -8.680 1.00 42.43 H new ATOM 0 HZ3 LYS A 57 11.170 -5.777 -8.639 1.00 42.43 H new ATOM 848 N GLU A 58 6.236 0.412 -5.701 1.00 11.42 N ATOM 849 CA GLU A 58 5.747 1.794 -5.816 1.00 61.51 C ATOM 850 C GLU A 58 5.631 2.449 -4.430 1.00 1.43 C ATOM 851 O GLU A 58 5.942 3.632 -4.260 1.00 62.32 O ATOM 852 CB GLU A 58 4.392 1.851 -6.540 1.00 12.34 C ATOM 853 CG GLU A 58 4.455 1.457 -8.013 1.00 25.32 C ATOM 854 CD GLU A 58 3.208 1.865 -8.792 1.00 41.34 C ATOM 855 OE1 GLU A 58 3.138 3.031 -9.245 1.00 1.20 O ATOM 856 OE2 GLU A 58 2.299 1.029 -8.962 1.00 11.15 O ATOM 0 H GLU A 58 5.539 -0.304 -5.908 1.00 11.42 H new ATOM 0 HA GLU A 58 6.474 2.349 -6.409 1.00 61.51 H new ATOM 0 HB2 GLU A 58 3.691 1.192 -6.028 1.00 12.34 H new ATOM 0 HB3 GLU A 58 3.993 2.862 -6.462 1.00 12.34 H new ATOM 0 HG2 GLU A 58 5.330 1.919 -8.470 1.00 25.32 H new ATOM 0 HG3 GLU A 58 4.588 0.378 -8.090 1.00 25.32 H new ATOM 863 N LEU A 59 5.173 1.673 -3.443 1.00 43.51 N ATOM 864 CA LEU A 59 5.160 2.121 -2.045 1.00 35.33 C ATOM 865 C LEU A 59 6.579 2.491 -1.580 1.00 41.22 C ATOM 866 O LEU A 59 6.791 3.541 -0.973 1.00 54.22 O ATOM 867 CB LEU A 59 4.585 1.020 -1.143 1.00 41.33 C ATOM 868 CG LEU A 59 3.120 0.644 -1.417 1.00 43.25 C ATOM 869 CD1 LEU A 59 2.724 -0.597 -0.622 1.00 44.33 C ATOM 870 CD2 LEU A 59 2.189 1.813 -1.094 1.00 54.32 C ATOM 0 H LEU A 59 4.806 0.732 -3.585 1.00 43.51 H new ATOM 0 HA LEU A 59 4.529 3.007 -1.974 1.00 35.33 H new ATOM 0 HB2 LEU A 59 5.199 0.126 -1.253 1.00 41.33 H new ATOM 0 HB3 LEU A 59 4.672 1.341 -0.105 1.00 41.33 H new ATOM 0 HG LEU A 59 3.021 0.416 -2.478 1.00 43.25 H new ATOM 0 HD11 LEU A 59 1.683 -0.846 -0.830 1.00 44.33 H new ATOM 0 HD12 LEU A 59 3.362 -1.433 -0.910 1.00 44.33 H new ATOM 0 HD13 LEU A 59 2.844 -0.400 0.443 1.00 44.33 H new ATOM 0 HD21 LEU A 59 1.158 1.523 -1.296 1.00 54.32 H new ATOM 0 HD22 LEU A 59 2.292 2.080 -0.042 1.00 54.32 H new ATOM 0 HD23 LEU A 59 2.453 2.670 -1.713 1.00 54.32 H new ATOM 882 N ASN A 60 7.544 1.618 -1.877 1.00 23.34 N ATOM 883 CA ASN A 60 8.956 1.886 -1.571 1.00 13.45 C ATOM 884 C ASN A 60 9.418 3.224 -2.163 1.00 20.44 C ATOM 885 O ASN A 60 9.907 4.089 -1.435 1.00 44.11 O ATOM 886 CB ASN A 60 9.854 0.754 -2.087 1.00 10.40 C ATOM 887 CG ASN A 60 9.956 -0.405 -1.114 1.00 73.21 C ATOM 888 OD1 ASN A 60 10.826 -0.422 -0.249 1.00 13.53 O ATOM 889 ND2 ASN A 60 9.088 -1.384 -1.248 1.00 72.00 N ATOM 0 H ASN A 60 7.376 0.719 -2.329 1.00 23.34 H new ATOM 0 HA ASN A 60 9.043 1.942 -0.486 1.00 13.45 H new ATOM 0 HB2 ASN A 60 9.463 0.391 -3.038 1.00 10.40 H new ATOM 0 HB3 ASN A 60 10.852 1.148 -2.282 1.00 10.40 H new ATOM 0 HD21 ASN A 60 9.126 -2.188 -0.622 1.00 72.00 H new ATOM 0 HD22 ASN A 60 8.377 -1.339 -1.978 1.00 72.00 H new ATOM 896 N GLU A 61 9.256 3.387 -3.482 1.00 75.55 N ATOM 897 CA GLU A 61 9.618 4.642 -4.162 1.00 32.10 C ATOM 898 C GLU A 61 9.098 5.860 -3.391 1.00 4.01 C ATOM 899 O GLU A 61 9.838 6.800 -3.118 1.00 73.45 O ATOM 900 CB GLU A 61 9.055 4.675 -5.594 1.00 33.31 C ATOM 901 CG GLU A 61 9.617 3.599 -6.519 1.00 22.14 C ATOM 902 CD GLU A 61 9.072 3.704 -7.939 1.00 4.23 C ATOM 903 OE1 GLU A 61 8.010 3.106 -8.232 1.00 24.14 O ATOM 904 OE2 GLU A 61 9.710 4.379 -8.778 1.00 64.45 O ATOM 0 H GLU A 61 8.878 2.669 -4.100 1.00 75.55 H new ATOM 0 HA GLU A 61 10.707 4.683 -4.201 1.00 32.10 H new ATOM 0 HB2 GLU A 61 7.971 4.567 -5.548 1.00 33.31 H new ATOM 0 HB3 GLU A 61 9.259 5.653 -6.029 1.00 33.31 H new ATOM 0 HG2 GLU A 61 10.704 3.678 -6.544 1.00 22.14 H new ATOM 0 HG3 GLU A 61 9.378 2.616 -6.114 1.00 22.14 H new ATOM 911 N TYR A 62 7.820 5.812 -3.023 1.00 61.12 N ATOM 912 CA TYR A 62 7.159 6.908 -2.309 1.00 32.01 C ATOM 913 C TYR A 62 7.911 7.311 -1.029 1.00 1.41 C ATOM 914 O TYR A 62 8.224 8.486 -0.824 1.00 11.44 O ATOM 915 CB TYR A 62 5.723 6.495 -1.973 1.00 72.04 C ATOM 916 CG TYR A 62 4.918 7.548 -1.234 1.00 13.22 C ATOM 917 CD1 TYR A 62 4.399 8.649 -1.904 1.00 14.43 C ATOM 918 CD2 TYR A 62 4.662 7.431 0.129 1.00 23.15 C ATOM 919 CE1 TYR A 62 3.657 9.604 -1.240 1.00 31.22 C ATOM 920 CE2 TYR A 62 3.917 8.382 0.797 1.00 14.04 C ATOM 921 CZ TYR A 62 3.414 9.463 0.108 1.00 61.43 C ATOM 922 OH TYR A 62 2.673 10.410 0.774 1.00 71.34 O ATOM 0 H TYR A 62 7.212 5.015 -3.210 1.00 61.12 H new ATOM 0 HA TYR A 62 7.156 7.781 -2.961 1.00 32.01 H new ATOM 0 HB2 TYR A 62 5.205 6.244 -2.899 1.00 72.04 H new ATOM 0 HB3 TYR A 62 5.752 5.588 -1.369 1.00 72.04 H new ATOM 0 HD1 TYR A 62 4.580 8.759 -2.963 1.00 14.43 H new ATOM 0 HD2 TYR A 62 5.052 6.583 0.672 1.00 23.15 H new ATOM 0 HE1 TYR A 62 3.269 10.458 -1.775 1.00 31.22 H new ATOM 0 HE2 TYR A 62 3.729 8.279 1.856 1.00 14.04 H new ATOM 0 HH TYR A 62 2.478 10.095 1.681 1.00 71.34 H new ATOM 932 N PHE A 63 8.201 6.337 -0.170 1.00 55.24 N ATOM 933 CA PHE A 63 8.927 6.608 1.076 1.00 10.35 C ATOM 934 C PHE A 63 10.349 7.123 0.795 1.00 41.40 C ATOM 935 O PHE A 63 10.834 8.034 1.470 1.00 55.05 O ATOM 936 CB PHE A 63 8.964 5.357 1.966 1.00 1.33 C ATOM 937 CG PHE A 63 7.622 5.002 2.559 1.00 15.33 C ATOM 938 CD1 PHE A 63 7.140 5.680 3.671 1.00 42.21 C ATOM 939 CD2 PHE A 63 6.839 3.999 2.005 1.00 61.14 C ATOM 940 CE1 PHE A 63 5.910 5.363 4.216 1.00 71.10 C ATOM 941 CE2 PHE A 63 5.609 3.679 2.546 1.00 33.40 C ATOM 942 CZ PHE A 63 5.143 4.362 3.654 1.00 15.40 C ATOM 0 H PHE A 63 7.948 5.359 -0.309 1.00 55.24 H new ATOM 0 HA PHE A 63 8.391 7.393 1.610 1.00 10.35 H new ATOM 0 HB2 PHE A 63 9.328 4.514 1.379 1.00 1.33 H new ATOM 0 HB3 PHE A 63 9.679 5.516 2.773 1.00 1.33 H new ATOM 0 HD1 PHE A 63 7.734 6.465 4.116 1.00 42.21 H new ATOM 0 HD2 PHE A 63 7.196 3.461 1.139 1.00 61.14 H new ATOM 0 HE1 PHE A 63 5.549 5.898 5.082 1.00 71.10 H new ATOM 0 HE2 PHE A 63 5.012 2.896 2.104 1.00 33.40 H new ATOM 0 HZ PHE A 63 4.182 4.113 4.079 1.00 15.40 H new