USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 793 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 4 LYS NZ :NH3+ -140:sc= 0.941 (180deg=0) USER MOD Set 1.2: A 68 SER OG : rot 76:sc= 1.38 USER MOD Set 2.1: A 14 THR OG1 : rot 156:sc= 0.892 USER MOD Set 2.2: A 16 GLN : amide:sc= 0.801 X(o=1.7,f=1.7) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -132:sc= 0.871 (180deg=-1.43!) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.0083) USER MOD Single : A 10 CYS SG : rot 24:sc= 0.168 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -164:sc= -0.0637 (180deg=-0.281) USER MOD Single : A 30 ASN : amide:sc= 1.57 K(o=1.6,f=-4.1!) USER MOD Single : A 31 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00324) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -20:sc= 0.749 USER MOD Single : A 39 GLN : amide:sc= -1.14 K(o=-1.1,f=-0.0063) USER MOD Single : A 44 SER OG : rot 180:sc= -0.154 USER MOD Single : A 46 GLN : amide:sc= -0.0419 K(o=-0.042,f=-7!) USER MOD Single : A 47 ASN : amide:sc= -0.585 K(o=-0.58,f=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 56 THR OG1 : rot -88:sc= 0.913 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 80 THR OG1 : rot -61:sc= 0.24 USER MOD Single : A 82 GLN : amide:sc= -0.392 X(o=-0.39,f=-0.037) USER MOD Single : A 85 ASN : amide:sc= -0.41 X(o=-0.41,f=-0.5) USER MOD Single : A 89 LYS NZ :NH3+ -117:sc= 0.0918 (180deg=-0.0369) USER MOD Single : A 92 HIS : no HD1:sc= -0.532 K(o=-0.53,f=0.13) USER MOD Single : A 93 HIS : no HE2:sc= 0.485 K(o=0.49,f=-2.6!) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 HIS : no HD1:sc= -0.941 K(o=-0.94,f=-0.11) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=-0.0069) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.101 -0.106 14.347 1.00 11.34 N ATOM 2 CA MET A 1 2.289 -0.334 15.211 1.00 3.24 C ATOM 3 C MET A 1 1.907 -1.193 16.420 1.00 34.22 C ATOM 4 O MET A 1 1.598 -0.677 17.498 1.00 11.12 O ATOM 5 CB MET A 1 2.874 1.016 15.665 1.00 22.10 C ATOM 6 CG MET A 1 4.143 0.905 16.499 1.00 1.10 C ATOM 7 SD MET A 1 4.796 2.521 16.968 1.00 64.33 S ATOM 8 CE MET A 1 6.248 2.049 17.904 1.00 3.53 C ATOM 0 H1 MET A 1 1.350 -0.300 13.356 1.00 11.34 H new ATOM 0 H2 MET A 1 0.331 -0.740 14.641 1.00 11.34 H new ATOM 0 H3 MET A 1 0.790 0.882 14.438 1.00 11.34 H new ATOM 0 HA MET A 1 3.049 -0.867 14.639 1.00 3.24 H new ATOM 0 HB2 MET A 1 3.085 1.621 14.783 1.00 22.10 H new ATOM 0 HB3 MET A 1 2.119 1.549 16.244 1.00 22.10 H new ATOM 0 HG2 MET A 1 3.935 0.325 17.398 1.00 1.10 H new ATOM 0 HG3 MET A 1 4.900 0.359 15.935 1.00 1.10 H new ATOM 0 HE1 MET A 1 6.758 2.944 18.261 1.00 3.53 H new ATOM 0 HE2 MET A 1 5.949 1.438 18.756 1.00 3.53 H new ATOM 0 HE3 MET A 1 6.922 1.477 17.266 1.00 3.53 H new ATOM 20 N ASP A 2 1.904 -2.512 16.235 1.00 32.03 N ATOM 21 CA ASP A 2 1.420 -3.428 17.271 1.00 2.53 C ATOM 22 C ASP A 2 2.376 -4.596 17.543 1.00 4.24 C ATOM 23 O ASP A 2 3.309 -4.863 16.785 1.00 2.41 O ATOM 24 CB ASP A 2 0.040 -3.964 16.882 1.00 55.20 C ATOM 25 CG ASP A 2 -1.049 -2.928 17.097 1.00 51.21 C ATOM 26 OD1 ASP A 2 -1.293 -2.115 16.187 1.00 63.23 O ATOM 27 OD2 ASP A 2 -1.646 -2.916 18.199 1.00 55.44 O ATOM 0 H ASP A 2 2.229 -2.970 15.383 1.00 32.03 H new ATOM 0 HA ASP A 2 1.359 -2.854 18.196 1.00 2.53 H new ATOM 0 HB2 ASP A 2 0.050 -4.269 15.835 1.00 55.20 H new ATOM 0 HB3 ASP A 2 -0.183 -4.854 17.471 1.00 55.20 H new ATOM 32 N ARG A 3 2.115 -5.278 18.657 1.00 55.30 N ATOM 33 CA ARG A 3 2.865 -6.471 19.061 1.00 2.21 C ATOM 34 C ARG A 3 2.036 -7.748 18.823 1.00 24.13 C ATOM 35 O ARG A 3 2.585 -8.829 18.613 1.00 70.52 O ATOM 36 CB ARG A 3 3.308 -6.376 20.542 1.00 40.31 C ATOM 37 CG ARG A 3 2.433 -5.467 21.417 1.00 13.24 C ATOM 38 CD ARG A 3 2.785 -3.987 21.227 1.00 60.31 C ATOM 39 NE ARG A 3 1.813 -3.093 21.859 1.00 22.22 N ATOM 40 CZ ARG A 3 2.048 -1.837 22.143 1.00 51.41 C ATOM 41 NH1 ARG A 3 3.203 -1.309 21.896 1.00 31.34 N ATOM 42 NH2 ARG A 3 1.121 -1.105 22.674 1.00 51.01 N ATOM 0 H ARG A 3 1.375 -5.019 19.309 1.00 55.30 H new ATOM 0 HA ARG A 3 3.761 -6.526 18.443 1.00 2.21 H new ATOM 0 HB2 ARG A 3 3.310 -7.378 20.971 1.00 40.31 H new ATOM 0 HB3 ARG A 3 4.335 -6.012 20.577 1.00 40.31 H new ATOM 0 HG2 ARG A 3 1.383 -5.626 21.171 1.00 13.24 H new ATOM 0 HG3 ARG A 3 2.559 -5.739 22.465 1.00 13.24 H new ATOM 0 HD2 ARG A 3 3.774 -3.796 21.644 1.00 60.31 H new ATOM 0 HD3 ARG A 3 2.840 -3.764 20.161 1.00 60.31 H new ATOM 0 HE ARG A 3 0.896 -3.473 22.093 1.00 22.22 H new ATOM 0 HH11 ARG A 3 3.942 -1.873 21.476 1.00 31.34 H new ATOM 0 HH12 ARG A 3 3.375 -0.329 22.122 1.00 31.34 H new ATOM 0 HH21 ARG A 3 0.205 -1.507 22.872 1.00 51.01 H new ATOM 0 HH22 ARG A 3 1.307 -0.127 22.894 1.00 51.01 H new ATOM 56 N LYS A 4 0.708 -7.616 18.851 1.00 2.35 N ATOM 57 CA LYS A 4 -0.186 -8.739 18.527 1.00 72.14 C ATOM 58 C LYS A 4 -0.032 -9.167 17.057 1.00 61.13 C ATOM 59 O LYS A 4 -0.079 -10.357 16.738 1.00 60.23 O ATOM 60 CB LYS A 4 -1.644 -8.367 18.843 1.00 62.10 C ATOM 61 CG LYS A 4 -2.114 -7.071 18.191 1.00 22.45 C ATOM 62 CD LYS A 4 -3.482 -6.640 18.715 1.00 65.24 C ATOM 63 CE LYS A 4 -3.883 -5.268 18.189 1.00 53.11 C ATOM 64 NZ LYS A 4 -5.116 -4.760 18.840 1.00 1.53 N ATOM 0 H LYS A 4 0.227 -6.750 19.093 1.00 2.35 H new ATOM 0 HA LYS A 4 0.096 -9.590 19.147 1.00 72.14 H new ATOM 0 HB2 LYS A 4 -2.293 -9.180 18.518 1.00 62.10 H new ATOM 0 HB3 LYS A 4 -1.759 -8.279 19.923 1.00 62.10 H new ATOM 0 HG2 LYS A 4 -1.386 -6.283 18.382 1.00 22.45 H new ATOM 0 HG3 LYS A 4 -2.163 -7.204 17.110 1.00 22.45 H new ATOM 0 HD2 LYS A 4 -4.232 -7.375 18.422 1.00 65.24 H new ATOM 0 HD3 LYS A 4 -3.464 -6.620 19.805 1.00 65.24 H new ATOM 0 HE2 LYS A 4 -3.068 -4.564 18.357 1.00 53.11 H new ATOM 0 HE3 LYS A 4 -4.039 -5.324 17.112 1.00 53.11 H new ATOM 0 HZ1 LYS A 4 -5.714 -4.289 18.131 1.00 1.53 H new ATOM 0 HZ2 LYS A 4 -5.639 -5.554 19.261 1.00 1.53 H new ATOM 0 HZ3 LYS A 4 -4.861 -4.080 19.584 1.00 1.53 H new ATOM 78 N LEU A 5 0.193 -8.193 16.172 1.00 62.31 N ATOM 79 CA LEU A 5 0.449 -8.474 14.749 1.00 2.43 C ATOM 80 C LEU A 5 1.817 -9.157 14.535 1.00 44.14 C ATOM 81 O LEU A 5 2.178 -9.499 13.409 1.00 43.04 O ATOM 82 CB LEU A 5 0.374 -7.183 13.910 1.00 11.31 C ATOM 83 CG LEU A 5 -1.038 -6.728 13.494 1.00 62.03 C ATOM 84 CD1 LEU A 5 -1.739 -7.817 12.684 1.00 35.30 C ATOM 85 CD2 LEU A 5 -1.875 -6.333 14.707 1.00 43.21 C ATOM 0 H LEU A 5 0.204 -7.202 16.411 1.00 62.31 H new ATOM 0 HA LEU A 5 -0.329 -9.161 14.417 1.00 2.43 H new ATOM 0 HB2 LEU A 5 0.841 -6.378 14.477 1.00 11.31 H new ATOM 0 HB3 LEU A 5 0.969 -7.325 13.008 1.00 11.31 H new ATOM 0 HG LEU A 5 -0.931 -5.845 12.864 1.00 62.03 H new ATOM 0 HD11 LEU A 5 -2.734 -7.476 12.400 1.00 35.30 H new ATOM 0 HD12 LEU A 5 -1.160 -8.032 11.786 1.00 35.30 H new ATOM 0 HD13 LEU A 5 -1.824 -8.721 13.287 1.00 35.30 H new ATOM 0 HD21 LEU A 5 -2.865 -6.017 14.379 1.00 43.21 H new ATOM 0 HD22 LEU A 5 -1.970 -7.187 15.377 1.00 43.21 H new ATOM 0 HD23 LEU A 5 -1.388 -5.512 15.233 1.00 43.21 H new ATOM 97 N LEU A 6 2.581 -9.334 15.614 1.00 42.33 N ATOM 98 CA LEU A 6 3.852 -10.071 15.554 1.00 73.34 C ATOM 99 C LEU A 6 3.644 -11.557 15.891 1.00 41.12 C ATOM 100 O LEU A 6 4.493 -12.395 15.596 1.00 14.24 O ATOM 101 CB LEU A 6 4.870 -9.458 16.525 1.00 44.50 C ATOM 102 CG LEU A 6 5.200 -7.975 16.284 1.00 43.20 C ATOM 103 CD1 LEU A 6 6.201 -7.464 17.319 1.00 41.20 C ATOM 104 CD2 LEU A 6 5.727 -7.762 14.866 1.00 33.42 C ATOM 0 H LEU A 6 2.345 -8.979 16.541 1.00 42.33 H new ATOM 0 HA LEU A 6 4.235 -9.996 14.536 1.00 73.34 H new ATOM 0 HB2 LEU A 6 4.490 -9.568 17.541 1.00 44.50 H new ATOM 0 HB3 LEU A 6 5.794 -10.033 16.467 1.00 44.50 H new ATOM 0 HG LEU A 6 4.280 -7.401 16.394 1.00 43.20 H new ATOM 0 HD11 LEU A 6 6.418 -6.413 17.127 1.00 41.20 H new ATOM 0 HD12 LEU A 6 5.778 -7.571 18.318 1.00 41.20 H new ATOM 0 HD13 LEU A 6 7.122 -8.043 17.251 1.00 41.20 H new ATOM 0 HD21 LEU A 6 5.954 -6.706 14.717 1.00 33.42 H new ATOM 0 HD22 LEU A 6 6.632 -8.352 14.722 1.00 33.42 H new ATOM 0 HD23 LEU A 6 4.971 -8.076 14.146 1.00 33.42 H new ATOM 116 N HIS A 7 2.514 -11.871 16.526 1.00 22.22 N ATOM 117 CA HIS A 7 2.190 -13.252 16.907 1.00 13.33 C ATOM 118 C HIS A 7 1.218 -13.890 15.907 1.00 32.10 C ATOM 119 O HIS A 7 1.466 -14.983 15.387 1.00 22.44 O ATOM 120 CB HIS A 7 1.587 -13.284 18.317 1.00 73.22 C ATOM 121 CG HIS A 7 2.482 -12.702 19.369 1.00 51.04 C ATOM 122 ND1 HIS A 7 2.108 -11.659 20.188 1.00 4.44 N ATOM 123 CD2 HIS A 7 3.740 -13.033 19.747 1.00 64.13 C ATOM 124 CE1 HIS A 7 3.091 -11.377 21.016 1.00 0.41 C ATOM 125 NE2 HIS A 7 4.091 -12.194 20.771 1.00 21.32 N ATOM 0 H HIS A 7 1.804 -11.188 16.789 1.00 22.22 H new ATOM 0 HA HIS A 7 3.115 -13.829 16.898 1.00 13.33 H new ATOM 0 HB2 HIS A 7 0.644 -12.737 18.312 1.00 73.22 H new ATOM 0 HB3 HIS A 7 1.355 -14.316 18.580 1.00 73.22 H new ATOM 0 HD2 HIS A 7 4.352 -13.814 19.320 1.00 64.13 H new ATOM 0 HE1 HIS A 7 3.078 -10.604 21.770 1.00 0.41 H new ATOM 0 HE2 HIS A 7 4.984 -12.202 21.264 1.00 21.32 H new ATOM 134 N LEU A 8 0.111 -13.198 15.639 1.00 51.34 N ATOM 135 CA LEU A 8 -0.912 -13.698 14.712 1.00 62.31 C ATOM 136 C LEU A 8 -0.418 -13.668 13.257 1.00 41.01 C ATOM 137 O LEU A 8 -0.450 -12.628 12.593 1.00 14.33 O ATOM 138 CB LEU A 8 -2.216 -12.886 14.846 1.00 71.43 C ATOM 139 CG LEU A 8 -3.031 -13.122 16.136 1.00 4.42 C ATOM 140 CD1 LEU A 8 -3.397 -14.597 16.286 1.00 0.43 C ATOM 141 CD2 LEU A 8 -2.279 -12.621 17.370 1.00 65.11 C ATOM 0 H LEU A 8 -0.103 -12.289 16.049 1.00 51.34 H new ATOM 0 HA LEU A 8 -1.114 -14.735 14.979 1.00 62.31 H new ATOM 0 HB2 LEU A 8 -1.969 -11.826 14.785 1.00 71.43 H new ATOM 0 HB3 LEU A 8 -2.852 -13.114 13.991 1.00 71.43 H new ATOM 0 HG LEU A 8 -3.954 -12.548 16.054 1.00 4.42 H new ATOM 0 HD11 LEU A 8 -3.971 -14.738 17.202 1.00 0.43 H new ATOM 0 HD12 LEU A 8 -3.995 -14.912 15.431 1.00 0.43 H new ATOM 0 HD13 LEU A 8 -2.487 -15.195 16.332 1.00 0.43 H new ATOM 0 HD21 LEU A 8 -2.880 -12.802 18.261 1.00 65.11 H new ATOM 0 HD22 LEU A 8 -1.331 -13.151 17.458 1.00 65.11 H new ATOM 0 HD23 LEU A 8 -2.089 -11.552 17.271 1.00 65.11 H new ATOM 153 N LEU A 9 0.055 -14.816 12.779 1.00 31.34 N ATOM 154 CA LEU A 9 0.532 -14.956 11.397 1.00 32.22 C ATOM 155 C LEU A 9 -0.626 -15.289 10.436 1.00 51.21 C ATOM 156 O LEU A 9 -1.781 -15.407 10.847 1.00 3.30 O ATOM 157 CB LEU A 9 1.627 -16.040 11.312 1.00 41.45 C ATOM 158 CG LEU A 9 1.146 -17.512 11.327 1.00 24.12 C ATOM 159 CD1 LEU A 9 2.332 -18.464 11.245 1.00 11.24 C ATOM 160 CD2 LEU A 9 0.301 -17.817 12.565 1.00 64.31 C ATOM 0 H LEU A 9 0.120 -15.672 13.330 1.00 31.34 H new ATOM 0 HA LEU A 9 0.958 -14.000 11.092 1.00 32.22 H new ATOM 0 HB2 LEU A 9 2.198 -15.877 10.398 1.00 41.45 H new ATOM 0 HB3 LEU A 9 2.314 -15.897 12.146 1.00 41.45 H new ATOM 0 HG LEU A 9 0.515 -17.660 10.451 1.00 24.12 H new ATOM 0 HD11 LEU A 9 1.974 -19.493 11.257 1.00 11.24 H new ATOM 0 HD12 LEU A 9 2.882 -18.282 10.322 1.00 11.24 H new ATOM 0 HD13 LEU A 9 2.991 -18.299 12.098 1.00 11.24 H new ATOM 0 HD21 LEU A 9 -0.018 -18.859 12.540 1.00 64.31 H new ATOM 0 HD22 LEU A 9 0.894 -17.640 13.463 1.00 64.31 H new ATOM 0 HD23 LEU A 9 -0.576 -17.169 12.576 1.00 64.31 H new ATOM 172 N CYS A 10 -0.308 -15.449 9.154 1.00 40.41 N ATOM 173 CA CYS A 10 -1.323 -15.772 8.146 1.00 1.01 C ATOM 174 C CYS A 10 -1.444 -17.287 7.942 1.00 3.41 C ATOM 175 O CYS A 10 -0.439 -17.998 7.873 1.00 70.33 O ATOM 176 CB CYS A 10 -0.980 -15.103 6.810 1.00 51.44 C ATOM 177 SG CYS A 10 0.566 -15.685 6.069 1.00 24.44 S ATOM 0 H CYS A 10 0.639 -15.361 8.786 1.00 40.41 H new ATOM 0 HA CYS A 10 -2.279 -15.394 8.508 1.00 1.01 H new ATOM 0 HB2 CYS A 10 -1.795 -15.278 6.108 1.00 51.44 H new ATOM 0 HB3 CYS A 10 -0.915 -14.025 6.961 1.00 51.44 H new ATOM 0 HG CYS A 10 0.835 -16.879 6.508 1.00 24.44 H new ATOM 183 N SER A 11 -2.676 -17.778 7.835 1.00 22.12 N ATOM 184 CA SER A 11 -2.929 -19.212 7.631 1.00 71.41 C ATOM 185 C SER A 11 -3.751 -19.455 6.353 1.00 41.21 C ATOM 186 O SER A 11 -4.980 -19.405 6.383 1.00 1.31 O ATOM 187 CB SER A 11 -3.669 -19.808 8.840 1.00 4.11 C ATOM 188 OG SER A 11 -2.901 -19.690 10.031 1.00 73.15 O ATOM 0 H SER A 11 -3.520 -17.207 7.886 1.00 22.12 H new ATOM 0 HA SER A 11 -1.963 -19.704 7.523 1.00 71.41 H new ATOM 0 HB2 SER A 11 -4.624 -19.300 8.970 1.00 4.11 H new ATOM 0 HB3 SER A 11 -3.890 -20.858 8.651 1.00 4.11 H new ATOM 0 HG SER A 11 -3.399 -20.076 10.781 1.00 73.15 H new ATOM 194 N PRO A 12 -3.082 -19.726 5.210 1.00 63.10 N ATOM 195 CA PRO A 12 -3.760 -19.976 3.915 1.00 14.40 C ATOM 196 C PRO A 12 -4.817 -21.095 3.978 1.00 45.24 C ATOM 197 O PRO A 12 -5.663 -21.221 3.088 1.00 64.32 O ATOM 198 CB PRO A 12 -2.604 -20.365 2.982 1.00 62.31 C ATOM 199 CG PRO A 12 -1.405 -19.719 3.592 1.00 32.23 C ATOM 200 CD PRO A 12 -1.615 -19.793 5.079 1.00 34.31 C ATOM 0 HA PRO A 12 -4.324 -19.103 3.585 1.00 14.40 H new ATOM 0 HB2 PRO A 12 -2.487 -21.447 2.924 1.00 62.31 H new ATOM 0 HB3 PRO A 12 -2.775 -20.008 1.966 1.00 62.31 H new ATOM 0 HG2 PRO A 12 -0.491 -20.235 3.300 1.00 32.23 H new ATOM 0 HG3 PRO A 12 -1.307 -18.685 3.261 1.00 32.23 H new ATOM 0 HD2 PRO A 12 -1.214 -20.716 5.498 1.00 34.31 H new ATOM 0 HD3 PRO A 12 -1.125 -18.969 5.597 1.00 34.31 H new ATOM 208 N ASP A 13 -4.771 -21.895 5.044 1.00 70.12 N ATOM 209 CA ASP A 13 -5.772 -22.938 5.291 1.00 32.20 C ATOM 210 C ASP A 13 -7.196 -22.348 5.381 1.00 13.12 C ATOM 211 O ASP A 13 -8.193 -23.058 5.219 1.00 72.22 O ATOM 212 CB ASP A 13 -5.426 -23.681 6.581 1.00 5.12 C ATOM 213 CG ASP A 13 -3.999 -24.200 6.574 1.00 11.10 C ATOM 214 OD1 ASP A 13 -3.070 -23.394 6.811 1.00 21.32 O ATOM 215 OD2 ASP A 13 -3.794 -25.403 6.323 1.00 34.41 O ATOM 0 H ASP A 13 -4.044 -21.841 5.758 1.00 70.12 H new ATOM 0 HA ASP A 13 -5.757 -23.633 4.451 1.00 32.20 H new ATOM 0 HB2 ASP A 13 -5.565 -23.014 7.432 1.00 5.12 H new ATOM 0 HB3 ASP A 13 -6.114 -24.515 6.714 1.00 5.12 H new ATOM 220 N THR A 14 -7.283 -21.047 5.655 1.00 75.14 N ATOM 221 CA THR A 14 -8.572 -20.339 5.697 1.00 32.40 C ATOM 222 C THR A 14 -9.078 -20.001 4.290 1.00 64.20 C ATOM 223 O THR A 14 -10.276 -19.814 4.083 1.00 31.43 O ATOM 224 CB THR A 14 -8.479 -19.027 6.508 1.00 3.04 C ATOM 225 OG1 THR A 14 -7.545 -18.131 5.887 1.00 23.00 O ATOM 226 CG2 THR A 14 -8.046 -19.299 7.944 1.00 3.12 C ATOM 0 H THR A 14 -6.476 -20.456 5.853 1.00 75.14 H new ATOM 0 HA THR A 14 -9.272 -21.018 6.184 1.00 32.40 H new ATOM 0 HB THR A 14 -9.469 -18.571 6.525 1.00 3.04 H new ATOM 0 HG1 THR A 14 -7.755 -17.209 6.145 1.00 23.00 H new ATOM 0 HG21 THR A 14 -7.989 -18.358 8.491 1.00 3.12 H new ATOM 0 HG22 THR A 14 -8.772 -19.955 8.425 1.00 3.12 H new ATOM 0 HG23 THR A 14 -7.067 -19.779 7.944 1.00 3.12 H new ATOM 234 N ARG A 15 -8.153 -19.932 3.331 1.00 23.01 N ATOM 235 CA ARG A 15 -8.470 -19.582 1.937 1.00 52.14 C ATOM 236 C ARG A 15 -9.092 -18.181 1.828 1.00 43.43 C ATOM 237 O ARG A 15 -10.313 -18.016 1.749 1.00 3.04 O ATOM 238 CB ARG A 15 -9.378 -20.649 1.291 1.00 50.01 C ATOM 239 CG ARG A 15 -9.824 -20.318 -0.135 1.00 42.24 C ATOM 240 CD ARG A 15 -10.441 -21.529 -0.827 1.00 44.32 C ATOM 241 NE ARG A 15 -9.434 -22.541 -1.144 1.00 70.23 N ATOM 242 CZ ARG A 15 -9.600 -23.827 -0.996 1.00 54.21 C ATOM 243 NH1 ARG A 15 -10.705 -24.300 -0.518 1.00 55.00 N ATOM 244 NH2 ARG A 15 -8.653 -24.638 -1.332 1.00 43.21 N ATOM 0 H ARG A 15 -7.163 -20.116 3.494 1.00 23.01 H new ATOM 0 HA ARG A 15 -7.531 -19.561 1.385 1.00 52.14 H new ATOM 0 HB2 ARG A 15 -8.849 -21.602 1.282 1.00 50.01 H new ATOM 0 HB3 ARG A 15 -10.262 -20.782 1.914 1.00 50.01 H new ATOM 0 HG2 ARG A 15 -10.549 -19.504 -0.110 1.00 42.24 H new ATOM 0 HG3 ARG A 15 -8.969 -19.966 -0.712 1.00 42.24 H new ATOM 0 HD2 ARG A 15 -11.206 -21.965 -0.184 1.00 44.32 H new ATOM 0 HD3 ARG A 15 -10.938 -21.211 -1.743 1.00 44.32 H new ATOM 0 HE ARG A 15 -8.537 -22.218 -1.507 1.00 70.23 H new ATOM 0 HH11 ARG A 15 -11.458 -23.666 -0.252 1.00 55.00 H new ATOM 0 HH12 ARG A 15 -10.823 -25.307 -0.407 1.00 55.00 H new ATOM 0 HH21 ARG A 15 -7.779 -24.273 -1.711 1.00 43.21 H new ATOM 0 HH22 ARG A 15 -8.779 -25.644 -1.218 1.00 43.21 H new ATOM 258 N GLN A 16 -8.231 -17.171 1.856 1.00 73.51 N ATOM 259 CA GLN A 16 -8.652 -15.772 1.742 1.00 51.53 C ATOM 260 C GLN A 16 -7.914 -15.065 0.590 1.00 14.44 C ATOM 261 O GLN A 16 -6.708 -15.243 0.417 1.00 60.02 O ATOM 262 CB GLN A 16 -8.386 -15.037 3.065 1.00 25.50 C ATOM 263 CG GLN A 16 -9.134 -15.626 4.258 1.00 32.31 C ATOM 264 CD GLN A 16 -8.788 -14.939 5.568 1.00 24.05 C ATOM 265 OE1 GLN A 16 -7.867 -15.344 6.269 1.00 21.22 O ATOM 266 NE2 GLN A 16 -9.522 -13.901 5.912 1.00 3.44 N ATOM 0 H GLN A 16 -7.224 -17.293 1.958 1.00 73.51 H new ATOM 0 HA GLN A 16 -9.720 -15.752 1.525 1.00 51.53 H new ATOM 0 HB2 GLN A 16 -7.316 -15.058 3.273 1.00 25.50 H new ATOM 0 HB3 GLN A 16 -8.669 -13.990 2.952 1.00 25.50 H new ATOM 0 HG2 GLN A 16 -10.207 -15.546 4.084 1.00 32.31 H new ATOM 0 HG3 GLN A 16 -8.902 -16.688 4.338 1.00 32.31 H new ATOM 0 HE21 GLN A 16 -10.281 -13.590 5.306 1.00 3.44 H new ATOM 0 HE22 GLN A 16 -9.331 -13.408 6.785 1.00 3.44 H new ATOM 275 N PRO A 17 -8.629 -14.256 -0.223 1.00 70.51 N ATOM 276 CA PRO A 17 -8.011 -13.487 -1.322 1.00 11.11 C ATOM 277 C PRO A 17 -7.184 -12.291 -0.815 1.00 75.35 C ATOM 278 O PRO A 17 -6.481 -11.634 -1.587 1.00 53.41 O ATOM 279 CB PRO A 17 -9.223 -13.006 -2.134 1.00 4.32 C ATOM 280 CG PRO A 17 -10.327 -12.918 -1.132 1.00 21.31 C ATOM 281 CD PRO A 17 -10.091 -14.042 -0.156 1.00 72.14 C ATOM 0 HA PRO A 17 -7.305 -14.087 -1.896 1.00 11.11 H new ATOM 0 HB2 PRO A 17 -9.031 -12.040 -2.600 1.00 4.32 H new ATOM 0 HB3 PRO A 17 -9.467 -13.704 -2.935 1.00 4.32 H new ATOM 0 HG2 PRO A 17 -10.318 -11.953 -0.625 1.00 21.31 H new ATOM 0 HG3 PRO A 17 -11.300 -13.017 -1.613 1.00 21.31 H new ATOM 0 HD2 PRO A 17 -10.412 -13.774 0.851 1.00 72.14 H new ATOM 0 HD3 PRO A 17 -10.641 -14.940 -0.437 1.00 72.14 H new ATOM 289 N LEU A 18 -7.282 -12.017 0.488 1.00 45.11 N ATOM 290 CA LEU A 18 -6.543 -10.921 1.128 1.00 11.21 C ATOM 291 C LEU A 18 -5.801 -11.415 2.378 1.00 55.34 C ATOM 292 O LEU A 18 -6.359 -12.143 3.198 1.00 70.23 O ATOM 293 CB LEU A 18 -7.507 -9.783 1.503 1.00 34.10 C ATOM 294 CG LEU A 18 -8.170 -9.072 0.309 1.00 14.21 C ATOM 295 CD1 LEU A 18 -9.174 -8.024 0.783 1.00 23.14 C ATOM 296 CD2 LEU A 18 -7.111 -8.437 -0.585 1.00 41.42 C ATOM 0 H LEU A 18 -7.873 -12.546 1.129 1.00 45.11 H new ATOM 0 HA LEU A 18 -5.805 -10.547 0.418 1.00 11.21 H new ATOM 0 HB2 LEU A 18 -8.289 -10.187 2.146 1.00 34.10 H new ATOM 0 HB3 LEU A 18 -6.962 -9.044 2.090 1.00 34.10 H new ATOM 0 HG LEU A 18 -8.714 -9.817 -0.272 1.00 14.21 H new ATOM 0 HD11 LEU A 18 -9.627 -7.537 -0.081 1.00 23.14 H new ATOM 0 HD12 LEU A 18 -9.951 -8.506 1.377 1.00 23.14 H new ATOM 0 HD13 LEU A 18 -8.662 -7.279 1.392 1.00 23.14 H new ATOM 0 HD21 LEU A 18 -7.595 -7.938 -1.425 1.00 41.42 H new ATOM 0 HD22 LEU A 18 -6.539 -7.708 -0.011 1.00 41.42 H new ATOM 0 HD23 LEU A 18 -6.440 -9.210 -0.960 1.00 41.42 H new ATOM 308 N SER A 19 -4.542 -11.013 2.519 1.00 23.31 N ATOM 309 CA SER A 19 -3.695 -11.448 3.645 1.00 13.25 C ATOM 310 C SER A 19 -2.859 -10.293 4.200 1.00 62.12 C ATOM 311 O SER A 19 -2.895 -9.186 3.675 1.00 13.24 O ATOM 312 CB SER A 19 -2.769 -12.589 3.204 1.00 23.33 C ATOM 313 OG SER A 19 -3.500 -13.771 2.923 1.00 22.12 O ATOM 0 H SER A 19 -4.075 -10.382 1.867 1.00 23.31 H new ATOM 0 HA SER A 19 -4.357 -11.800 4.436 1.00 13.25 H new ATOM 0 HB2 SER A 19 -2.212 -12.285 2.318 1.00 23.33 H new ATOM 0 HB3 SER A 19 -2.038 -12.789 3.987 1.00 23.33 H new ATOM 0 HG SER A 19 -2.883 -14.479 2.643 1.00 22.12 H new ATOM 319 N LEU A 20 -2.108 -10.554 5.270 1.00 44.42 N ATOM 320 CA LEU A 20 -1.212 -9.544 5.851 1.00 41.24 C ATOM 321 C LEU A 20 -0.060 -9.235 4.873 1.00 3.20 C ATOM 322 O LEU A 20 0.535 -10.149 4.295 1.00 74.50 O ATOM 323 CB LEU A 20 -0.663 -10.043 7.207 1.00 14.02 C ATOM 324 CG LEU A 20 -0.363 -8.957 8.269 1.00 32.02 C ATOM 325 CD1 LEU A 20 0.750 -8.011 7.820 1.00 43.15 C ATOM 326 CD2 LEU A 20 -1.632 -8.178 8.609 1.00 71.01 C ATOM 0 H LEU A 20 -2.099 -11.452 5.754 1.00 44.42 H new ATOM 0 HA LEU A 20 -1.771 -8.625 6.024 1.00 41.24 H new ATOM 0 HB2 LEU A 20 -1.382 -10.745 7.629 1.00 14.02 H new ATOM 0 HB3 LEU A 20 0.255 -10.601 7.020 1.00 14.02 H new ATOM 0 HG LEU A 20 -0.011 -9.464 9.167 1.00 32.02 H new ATOM 0 HD11 LEU A 20 0.928 -7.265 8.595 1.00 43.15 H new ATOM 0 HD12 LEU A 20 1.664 -8.580 7.647 1.00 43.15 H new ATOM 0 HD13 LEU A 20 0.453 -7.512 6.897 1.00 43.15 H new ATOM 0 HD21 LEU A 20 -1.403 -7.419 9.357 1.00 71.01 H new ATOM 0 HD22 LEU A 20 -2.016 -7.697 7.709 1.00 71.01 H new ATOM 0 HD23 LEU A 20 -2.384 -8.861 9.004 1.00 71.01 H new ATOM 338 N LEU A 21 0.242 -7.950 4.687 1.00 3.12 N ATOM 339 CA LEU A 21 1.272 -7.515 3.733 1.00 44.01 C ATOM 340 C LEU A 21 2.642 -8.145 4.031 1.00 14.11 C ATOM 341 O LEU A 21 3.170 -8.032 5.139 1.00 33.32 O ATOM 342 CB LEU A 21 1.388 -5.982 3.733 1.00 73.01 C ATOM 343 CG LEU A 21 2.424 -5.393 2.754 1.00 1.42 C ATOM 344 CD1 LEU A 21 2.106 -5.797 1.315 1.00 25.22 C ATOM 345 CD2 LEU A 21 2.486 -3.872 2.883 1.00 1.11 C ATOM 0 H LEU A 21 -0.213 -7.185 5.186 1.00 3.12 H new ATOM 0 HA LEU A 21 0.961 -7.856 2.746 1.00 44.01 H new ATOM 0 HB2 LEU A 21 0.411 -5.561 3.496 1.00 73.01 H new ATOM 0 HB3 LEU A 21 1.640 -5.654 4.742 1.00 73.01 H new ATOM 0 HG LEU A 21 3.401 -5.800 3.013 1.00 1.42 H new ATOM 0 HD11 LEU A 21 2.851 -5.369 0.644 1.00 25.22 H new ATOM 0 HD12 LEU A 21 2.122 -6.884 1.230 1.00 25.22 H new ATOM 0 HD13 LEU A 21 1.118 -5.427 1.043 1.00 25.22 H new ATOM 0 HD21 LEU A 21 3.223 -3.477 2.184 1.00 1.11 H new ATOM 0 HD22 LEU A 21 1.508 -3.448 2.657 1.00 1.11 H new ATOM 0 HD23 LEU A 21 2.772 -3.604 3.900 1.00 1.11 H new ATOM 357 N GLU A 22 3.198 -8.813 3.025 1.00 30.30 N ATOM 358 CA GLU A 22 4.512 -9.459 3.126 1.00 54.52 C ATOM 359 C GLU A 22 5.611 -8.445 3.491 1.00 64.53 C ATOM 360 O GLU A 22 5.760 -7.413 2.828 1.00 4.10 O ATOM 361 CB GLU A 22 4.825 -10.146 1.790 1.00 64.53 C ATOM 362 CG GLU A 22 6.120 -10.947 1.772 1.00 63.04 C ATOM 363 CD GLU A 22 6.287 -11.727 0.478 1.00 30.11 C ATOM 364 OE1 GLU A 22 5.736 -12.842 0.376 1.00 10.44 O ATOM 365 OE2 GLU A 22 6.953 -11.227 -0.453 1.00 3.35 O ATOM 0 H GLU A 22 2.754 -8.925 2.114 1.00 30.30 H new ATOM 0 HA GLU A 22 4.486 -10.200 3.925 1.00 54.52 H new ATOM 0 HB2 GLU A 22 3.999 -10.811 1.537 1.00 64.53 H new ATOM 0 HB3 GLU A 22 4.873 -9.387 1.009 1.00 64.53 H new ATOM 0 HG2 GLU A 22 6.966 -10.272 1.901 1.00 63.04 H new ATOM 0 HG3 GLU A 22 6.132 -11.637 2.616 1.00 63.04 H new ATOM 372 N SER A 23 6.383 -8.752 4.539 1.00 40.53 N ATOM 373 CA SER A 23 7.418 -7.830 5.051 1.00 72.03 C ATOM 374 C SER A 23 8.391 -7.389 3.952 1.00 63.23 C ATOM 375 O SER A 23 8.858 -6.249 3.948 1.00 22.01 O ATOM 376 CB SER A 23 8.202 -8.471 6.210 1.00 64.53 C ATOM 377 OG SER A 23 8.885 -9.646 5.799 1.00 54.24 O ATOM 0 H SER A 23 6.315 -9.630 5.053 1.00 40.53 H new ATOM 0 HA SER A 23 6.896 -6.945 5.416 1.00 72.03 H new ATOM 0 HB2 SER A 23 8.920 -7.752 6.604 1.00 64.53 H new ATOM 0 HB3 SER A 23 7.516 -8.714 7.022 1.00 64.53 H new ATOM 0 HG SER A 23 9.373 -10.024 6.560 1.00 54.24 H new ATOM 383 N LYS A 24 8.680 -8.297 3.019 1.00 21.31 N ATOM 384 CA LYS A 24 9.534 -7.989 1.866 1.00 53.32 C ATOM 385 C LYS A 24 9.009 -6.759 1.104 1.00 43.42 C ATOM 386 O LYS A 24 9.766 -5.849 0.766 1.00 53.40 O ATOM 387 CB LYS A 24 9.592 -9.200 0.918 1.00 41.31 C ATOM 388 CG LYS A 24 10.020 -10.502 1.595 1.00 51.04 C ATOM 389 CD LYS A 24 11.476 -10.471 2.056 1.00 4.41 C ATOM 390 CE LYS A 24 12.447 -10.450 0.878 1.00 31.14 C ATOM 391 NZ LYS A 24 12.318 -11.660 0.023 1.00 20.43 N ATOM 0 H LYS A 24 8.334 -9.257 3.038 1.00 21.31 H new ATOM 0 HA LYS A 24 10.535 -7.765 2.234 1.00 53.32 H new ATOM 0 HB2 LYS A 24 8.610 -9.343 0.468 1.00 41.31 H new ATOM 0 HB3 LYS A 24 10.286 -8.980 0.106 1.00 41.31 H new ATOM 0 HG2 LYS A 24 9.375 -10.691 2.453 1.00 51.04 H new ATOM 0 HG3 LYS A 24 9.879 -11.331 0.902 1.00 51.04 H new ATOM 0 HD2 LYS A 24 11.641 -9.591 2.678 1.00 4.41 H new ATOM 0 HD3 LYS A 24 11.678 -11.343 2.678 1.00 4.41 H new ATOM 0 HE2 LYS A 24 12.265 -9.560 0.275 1.00 31.14 H new ATOM 0 HE3 LYS A 24 13.468 -10.379 1.252 1.00 31.14 H new ATOM 0 HZ1 LYS A 24 13.154 -11.742 -0.590 1.00 20.43 H new ATOM 0 HZ2 LYS A 24 12.246 -12.505 0.625 1.00 20.43 H new ATOM 0 HZ3 LYS A 24 11.464 -11.580 -0.565 1.00 20.43 H new ATOM 405 N GLY A 25 7.704 -6.755 0.829 1.00 63.03 N ATOM 406 CA GLY A 25 7.073 -5.621 0.162 1.00 72.24 C ATOM 407 C GLY A 25 6.857 -4.424 1.089 1.00 64.20 C ATOM 408 O GLY A 25 6.971 -3.273 0.667 1.00 13.22 O ATOM 0 H GLY A 25 7.069 -7.520 1.057 1.00 63.03 H new ATOM 0 HA2 GLY A 25 7.691 -5.313 -0.681 1.00 72.24 H new ATOM 0 HA3 GLY A 25 6.112 -5.935 -0.245 1.00 72.24 H new ATOM 412 N LEU A 26 6.567 -4.703 2.361 1.00 55.12 N ATOM 413 CA LEU A 26 6.233 -3.659 3.346 1.00 34.12 C ATOM 414 C LEU A 26 7.301 -2.548 3.401 1.00 54.04 C ATOM 415 O LEU A 26 6.977 -1.355 3.347 1.00 43.43 O ATOM 416 CB LEU A 26 6.068 -4.295 4.737 1.00 11.33 C ATOM 417 CG LEU A 26 5.760 -3.322 5.889 1.00 75.55 C ATOM 418 CD1 LEU A 26 4.452 -2.576 5.642 1.00 32.32 C ATOM 419 CD2 LEU A 26 5.712 -4.071 7.220 1.00 55.51 C ATOM 0 H LEU A 26 6.555 -5.650 2.741 1.00 55.12 H new ATOM 0 HA LEU A 26 5.297 -3.196 3.033 1.00 34.12 H new ATOM 0 HB2 LEU A 26 5.266 -5.032 4.685 1.00 11.33 H new ATOM 0 HB3 LEU A 26 6.983 -4.836 4.979 1.00 11.33 H new ATOM 0 HG LEU A 26 6.561 -2.585 5.935 1.00 75.55 H new ATOM 0 HD11 LEU A 26 4.259 -1.896 6.471 1.00 32.32 H new ATOM 0 HD12 LEU A 26 4.527 -2.007 4.716 1.00 32.32 H new ATOM 0 HD13 LEU A 26 3.634 -3.292 5.562 1.00 32.32 H new ATOM 0 HD21 LEU A 26 5.493 -3.369 8.025 1.00 55.51 H new ATOM 0 HD22 LEU A 26 4.933 -4.833 7.181 1.00 55.51 H new ATOM 0 HD23 LEU A 26 6.675 -4.546 7.405 1.00 55.51 H new ATOM 431 N GLU A 27 8.569 -2.945 3.498 1.00 45.42 N ATOM 432 CA GLU A 27 9.674 -1.980 3.542 1.00 73.51 C ATOM 433 C GLU A 27 9.768 -1.159 2.237 1.00 64.24 C ATOM 434 O GLU A 27 10.188 -0.003 2.252 1.00 63.42 O ATOM 435 CB GLU A 27 11.006 -2.690 3.839 1.00 51.44 C ATOM 436 CG GLU A 27 11.389 -3.773 2.837 1.00 70.02 C ATOM 437 CD GLU A 27 12.679 -4.488 3.223 1.00 73.33 C ATOM 438 OE1 GLU A 27 13.769 -3.932 2.973 1.00 45.43 O ATOM 439 OE2 GLU A 27 12.611 -5.597 3.800 1.00 43.43 O ATOM 0 H GLU A 27 8.859 -3.922 3.548 1.00 45.42 H new ATOM 0 HA GLU A 27 9.467 -1.281 4.353 1.00 73.51 H new ATOM 0 HB2 GLU A 27 11.801 -1.944 3.869 1.00 51.44 H new ATOM 0 HB3 GLU A 27 10.950 -3.136 4.832 1.00 51.44 H new ATOM 0 HG2 GLU A 27 10.581 -4.501 2.765 1.00 70.02 H new ATOM 0 HG3 GLU A 27 11.505 -3.327 1.849 1.00 70.02 H new ATOM 446 N ALA A 28 9.351 -1.754 1.116 1.00 73.45 N ATOM 447 CA ALA A 28 9.345 -1.055 -0.174 1.00 63.54 C ATOM 448 C ALA A 28 8.195 -0.036 -0.256 1.00 51.00 C ATOM 449 O ALA A 28 8.359 1.065 -0.797 1.00 3.02 O ATOM 450 CB ALA A 28 9.249 -2.062 -1.315 1.00 53.12 C ATOM 0 H ALA A 28 9.014 -2.716 1.075 1.00 73.45 H new ATOM 0 HA ALA A 28 10.281 -0.504 -0.264 1.00 63.54 H new ATOM 0 HB1 ALA A 28 9.245 -1.533 -2.268 1.00 53.12 H new ATOM 0 HB2 ALA A 28 10.104 -2.737 -1.278 1.00 53.12 H new ATOM 0 HB3 ALA A 28 8.329 -2.637 -1.216 1.00 53.12 H new ATOM 456 N LEU A 29 7.031 -0.413 0.285 1.00 20.32 N ATOM 457 CA LEU A 29 5.858 0.476 0.329 1.00 53.01 C ATOM 458 C LEU A 29 6.169 1.779 1.080 1.00 2.21 C ATOM 459 O LEU A 29 5.963 2.871 0.549 1.00 14.42 O ATOM 460 CB LEU A 29 4.653 -0.237 0.984 1.00 72.33 C ATOM 461 CG LEU A 29 3.748 -1.048 0.035 1.00 22.41 C ATOM 462 CD1 LEU A 29 3.027 -0.125 -0.944 1.00 62.34 C ATOM 463 CD2 LEU A 29 4.547 -2.109 -0.720 1.00 4.01 C ATOM 0 H LEU A 29 6.873 -1.331 0.701 1.00 20.32 H new ATOM 0 HA LEU A 29 5.602 0.728 -0.700 1.00 53.01 H new ATOM 0 HB2 LEU A 29 5.029 -0.908 1.756 1.00 72.33 H new ATOM 0 HB3 LEU A 29 4.041 0.513 1.484 1.00 72.33 H new ATOM 0 HG LEU A 29 3.002 -1.559 0.644 1.00 22.41 H new ATOM 0 HD11 LEU A 29 2.394 -0.718 -1.604 1.00 62.34 H new ATOM 0 HD12 LEU A 29 2.411 0.583 -0.390 1.00 62.34 H new ATOM 0 HD13 LEU A 29 3.761 0.420 -1.538 1.00 62.34 H new ATOM 0 HD21 LEU A 29 3.881 -2.664 -1.381 1.00 4.01 H new ATOM 0 HD22 LEU A 29 5.325 -1.626 -1.311 1.00 4.01 H new ATOM 0 HD23 LEU A 29 5.005 -2.795 -0.007 1.00 4.01 H new ATOM 475 N ASN A 30 6.691 1.660 2.304 1.00 15.14 N ATOM 476 CA ASN A 30 7.015 2.839 3.122 1.00 22.40 C ATOM 477 C ASN A 30 7.982 3.791 2.398 1.00 60.05 C ATOM 478 O ASN A 30 7.810 5.010 2.433 1.00 43.15 O ATOM 479 CB ASN A 30 7.612 2.416 4.469 1.00 53.22 C ATOM 480 CG ASN A 30 6.569 1.839 5.406 1.00 44.45 C ATOM 481 OD1 ASN A 30 5.937 2.566 6.168 1.00 32.21 O ATOM 482 ND2 ASN A 30 6.380 0.539 5.368 1.00 72.12 N ATOM 0 H ASN A 30 6.898 0.767 2.751 1.00 15.14 H new ATOM 0 HA ASN A 30 6.082 3.375 3.295 1.00 22.40 H new ATOM 0 HB2 ASN A 30 8.395 1.676 4.301 1.00 53.22 H new ATOM 0 HB3 ASN A 30 8.084 3.278 4.941 1.00 53.22 H new ATOM 0 HD21 ASN A 30 5.692 0.106 5.983 1.00 72.12 H new ATOM 0 HD22 ASN A 30 6.922 -0.036 4.723 1.00 72.12 H new ATOM 489 N LYS A 31 8.992 3.229 1.739 1.00 61.41 N ATOM 490 CA LYS A 31 9.941 4.028 0.951 1.00 63.54 C ATOM 491 C LYS A 31 9.217 4.846 -0.135 1.00 63.12 C ATOM 492 O LYS A 31 9.457 6.044 -0.297 1.00 31.45 O ATOM 493 CB LYS A 31 10.984 3.111 0.302 1.00 61.14 C ATOM 494 CG LYS A 31 11.866 2.367 1.301 1.00 53.21 C ATOM 495 CD LYS A 31 12.722 1.307 0.609 1.00 30.11 C ATOM 496 CE LYS A 31 13.534 0.488 1.606 1.00 12.44 C ATOM 497 NZ LYS A 31 14.597 1.291 2.264 1.00 42.03 N ATOM 0 H LYS A 31 9.179 2.226 1.732 1.00 61.41 H new ATOM 0 HA LYS A 31 10.438 4.725 1.626 1.00 63.54 H new ATOM 0 HB2 LYS A 31 10.471 2.383 -0.327 1.00 61.14 H new ATOM 0 HB3 LYS A 31 11.619 3.707 -0.354 1.00 61.14 H new ATOM 0 HG2 LYS A 31 12.511 3.077 1.818 1.00 53.21 H new ATOM 0 HG3 LYS A 31 11.241 1.894 2.059 1.00 53.21 H new ATOM 0 HD2 LYS A 31 12.079 0.642 0.032 1.00 30.11 H new ATOM 0 HD3 LYS A 31 13.397 1.790 -0.098 1.00 30.11 H new ATOM 0 HE2 LYS A 31 12.867 0.080 2.366 1.00 12.44 H new ATOM 0 HE3 LYS A 31 13.988 -0.359 1.092 1.00 12.44 H new ATOM 0 HZ1 LYS A 31 15.143 0.683 2.907 1.00 42.03 H new ATOM 0 HZ2 LYS A 31 15.230 1.687 1.541 1.00 42.03 H new ATOM 0 HZ3 LYS A 31 14.162 2.065 2.805 1.00 42.03 H new ATOM 511 N ALA A 32 8.319 4.189 -0.867 1.00 41.53 N ATOM 512 CA ALA A 32 7.569 4.846 -1.943 1.00 55.22 C ATOM 513 C ALA A 32 6.625 5.930 -1.398 1.00 44.24 C ATOM 514 O ALA A 32 6.445 6.982 -2.022 1.00 10.02 O ATOM 515 CB ALA A 32 6.792 3.813 -2.748 1.00 33.54 C ATOM 0 H ALA A 32 8.091 3.203 -0.737 1.00 41.53 H new ATOM 0 HA ALA A 32 8.287 5.339 -2.598 1.00 55.22 H new ATOM 0 HB1 ALA A 32 6.239 4.312 -3.544 1.00 33.54 H new ATOM 0 HB2 ALA A 32 7.486 3.094 -3.184 1.00 33.54 H new ATOM 0 HB3 ALA A 32 6.094 3.292 -2.093 1.00 33.54 H new ATOM 521 N ILE A 33 6.026 5.666 -0.236 1.00 64.23 N ATOM 522 CA ILE A 33 5.173 6.652 0.441 1.00 63.12 C ATOM 523 C ILE A 33 5.968 7.925 0.772 1.00 24.42 C ATOM 524 O ILE A 33 5.515 9.043 0.510 1.00 51.01 O ATOM 525 CB ILE A 33 4.558 6.070 1.740 1.00 55.42 C ATOM 526 CG1 ILE A 33 3.676 4.848 1.417 1.00 23.25 C ATOM 527 CG2 ILE A 33 3.751 7.135 2.485 1.00 3.11 C ATOM 528 CD1 ILE A 33 3.111 4.153 2.641 1.00 73.05 C ATOM 0 H ILE A 33 6.114 4.778 0.259 1.00 64.23 H new ATOM 0 HA ILE A 33 4.363 6.904 -0.243 1.00 63.12 H new ATOM 0 HB ILE A 33 5.372 5.747 2.389 1.00 55.42 H new ATOM 0 HG12 ILE A 33 2.851 5.167 0.780 1.00 23.25 H new ATOM 0 HG13 ILE A 33 4.263 4.131 0.843 1.00 23.25 H new ATOM 0 HG21 ILE A 33 3.329 6.703 3.393 1.00 3.11 H new ATOM 0 HG22 ILE A 33 4.403 7.968 2.748 1.00 3.11 H new ATOM 0 HG23 ILE A 33 2.945 7.494 1.846 1.00 3.11 H new ATOM 0 HD11 ILE A 33 2.502 3.304 2.329 1.00 73.05 H new ATOM 0 HD12 ILE A 33 3.929 3.801 3.270 1.00 73.05 H new ATOM 0 HD13 ILE A 33 2.495 4.853 3.205 1.00 73.05 H new ATOM 540 N VAL A 34 7.167 7.742 1.333 1.00 41.30 N ATOM 541 CA VAL A 34 8.068 8.864 1.626 1.00 63.40 C ATOM 542 C VAL A 34 8.460 9.606 0.336 1.00 61.11 C ATOM 543 O VAL A 34 8.609 10.830 0.328 1.00 55.43 O ATOM 544 CB VAL A 34 9.349 8.382 2.359 1.00 50.24 C ATOM 545 CG1 VAL A 34 10.305 9.544 2.626 1.00 50.41 C ATOM 546 CG2 VAL A 34 8.986 7.678 3.665 1.00 62.25 C ATOM 0 H VAL A 34 7.537 6.828 1.594 1.00 41.30 H new ATOM 0 HA VAL A 34 7.529 9.549 2.280 1.00 63.40 H new ATOM 0 HB VAL A 34 9.859 7.671 1.709 1.00 50.24 H new ATOM 0 HG11 VAL A 34 11.192 9.174 3.140 1.00 50.41 H new ATOM 0 HG12 VAL A 34 10.597 9.999 1.680 1.00 50.41 H new ATOM 0 HG13 VAL A 34 9.808 10.288 3.249 1.00 50.41 H new ATOM 0 HG21 VAL A 34 9.896 7.347 4.165 1.00 62.25 H new ATOM 0 HG22 VAL A 34 8.447 8.369 4.313 1.00 62.25 H new ATOM 0 HG23 VAL A 34 8.356 6.815 3.450 1.00 62.25 H new ATOM 556 N SER A 35 8.612 8.853 -0.754 1.00 42.32 N ATOM 557 CA SER A 35 8.908 9.435 -2.075 1.00 72.22 C ATOM 558 C SER A 35 7.757 10.337 -2.566 1.00 32.12 C ATOM 559 O SER A 35 7.972 11.262 -3.355 1.00 12.10 O ATOM 560 CB SER A 35 9.172 8.323 -3.105 1.00 14.22 C ATOM 561 OG SER A 35 9.461 8.858 -4.391 1.00 44.21 O ATOM 0 H SER A 35 8.536 7.836 -0.754 1.00 42.32 H new ATOM 0 HA SER A 35 9.802 10.050 -1.970 1.00 72.22 H new ATOM 0 HB2 SER A 35 10.007 7.707 -2.770 1.00 14.22 H new ATOM 0 HB3 SER A 35 8.301 7.671 -3.169 1.00 14.22 H new ATOM 0 HG SER A 35 9.625 8.125 -5.021 1.00 44.21 H new ATOM 567 N GLY A 36 6.536 10.063 -2.097 1.00 31.01 N ATOM 568 CA GLY A 36 5.380 10.889 -2.453 1.00 30.31 C ATOM 569 C GLY A 36 4.822 10.594 -3.844 1.00 44.44 C ATOM 570 O GLY A 36 4.033 11.370 -4.384 1.00 64.22 O ATOM 0 H GLY A 36 6.324 9.283 -1.475 1.00 31.01 H new ATOM 0 HA2 GLY A 36 4.593 10.735 -1.715 1.00 30.31 H new ATOM 0 HA3 GLY A 36 5.665 11.940 -2.400 1.00 30.31 H new ATOM 574 N THR A 37 5.226 9.464 -4.425 1.00 41.34 N ATOM 575 CA THR A 37 4.770 9.069 -5.770 1.00 65.10 C ATOM 576 C THR A 37 3.557 8.129 -5.701 1.00 61.11 C ATOM 577 O THR A 37 3.048 7.671 -6.723 1.00 15.14 O ATOM 578 CB THR A 37 5.904 8.368 -6.566 1.00 5.44 C ATOM 579 OG1 THR A 37 5.452 8.035 -7.889 1.00 45.13 O ATOM 580 CG2 THR A 37 6.382 7.107 -5.851 1.00 53.50 C ATOM 0 H THR A 37 5.868 8.802 -3.990 1.00 41.34 H new ATOM 0 HA THR A 37 4.482 9.987 -6.283 1.00 65.10 H new ATOM 0 HB THR A 37 6.742 9.062 -6.635 1.00 5.44 H new ATOM 0 HG1 THR A 37 4.472 8.018 -7.905 1.00 45.13 H new ATOM 0 HG21 THR A 37 7.176 6.638 -6.432 1.00 53.50 H new ATOM 0 HG22 THR A 37 6.762 7.370 -4.864 1.00 53.50 H new ATOM 0 HG23 THR A 37 5.550 6.411 -5.746 1.00 53.50 H new ATOM 588 N VAL A 38 3.093 7.846 -4.489 1.00 13.40 N ATOM 589 CA VAL A 38 1.978 6.919 -4.283 1.00 51.31 C ATOM 590 C VAL A 38 0.626 7.652 -4.254 1.00 55.34 C ATOM 591 O VAL A 38 0.493 8.702 -3.628 1.00 1.42 O ATOM 592 CB VAL A 38 2.155 6.131 -2.960 1.00 14.34 C ATOM 593 CG1 VAL A 38 1.017 5.133 -2.759 1.00 22.34 C ATOM 594 CG2 VAL A 38 3.508 5.425 -2.934 1.00 32.54 C ATOM 0 H VAL A 38 3.471 8.245 -3.630 1.00 13.40 H new ATOM 0 HA VAL A 38 1.982 6.227 -5.125 1.00 51.31 H new ATOM 0 HB VAL A 38 2.123 6.843 -2.135 1.00 14.34 H new ATOM 0 HG11 VAL A 38 1.167 4.594 -1.823 1.00 22.34 H new ATOM 0 HG12 VAL A 38 0.067 5.667 -2.723 1.00 22.34 H new ATOM 0 HG13 VAL A 38 1.004 4.425 -3.587 1.00 22.34 H new ATOM 0 HG21 VAL A 38 3.615 4.877 -1.998 1.00 32.54 H new ATOM 0 HG22 VAL A 38 3.572 4.729 -3.771 1.00 32.54 H new ATOM 0 HG23 VAL A 38 4.305 6.164 -3.015 1.00 32.54 H new ATOM 604 N GLN A 39 -0.373 7.088 -4.933 1.00 24.10 N ATOM 605 CA GLN A 39 -1.733 7.650 -4.929 1.00 24.40 C ATOM 606 C GLN A 39 -2.720 6.722 -4.208 1.00 52.12 C ATOM 607 O GLN A 39 -2.583 5.498 -4.244 1.00 52.53 O ATOM 608 CB GLN A 39 -2.234 7.904 -6.360 1.00 1.12 C ATOM 609 CG GLN A 39 -1.449 8.967 -7.122 1.00 71.40 C ATOM 610 CD GLN A 39 -2.049 9.285 -8.484 1.00 24.14 C ATOM 611 OE1 GLN A 39 -1.339 9.633 -9.423 1.00 13.52 O ATOM 612 NE2 GLN A 39 -3.361 9.187 -8.601 1.00 31.21 N ATOM 0 H GLN A 39 -0.271 6.242 -5.494 1.00 24.10 H new ATOM 0 HA GLN A 39 -1.681 8.598 -4.394 1.00 24.40 H new ATOM 0 HB2 GLN A 39 -2.192 6.969 -6.918 1.00 1.12 H new ATOM 0 HB3 GLN A 39 -3.281 8.203 -6.318 1.00 1.12 H new ATOM 0 HG2 GLN A 39 -1.410 9.879 -6.526 1.00 71.40 H new ATOM 0 HG3 GLN A 39 -0.422 8.628 -7.254 1.00 71.40 H new ATOM 0 HE21 GLN A 39 -3.924 8.895 -7.802 1.00 31.21 H new ATOM 0 HE22 GLN A 39 -3.811 9.403 -9.490 1.00 31.21 H new ATOM 621 N ARG A 40 -3.710 7.321 -3.556 1.00 72.15 N ATOM 622 CA ARG A 40 -4.807 6.580 -2.929 1.00 73.34 C ATOM 623 C ARG A 40 -5.969 6.400 -3.929 1.00 54.13 C ATOM 624 O ARG A 40 -6.085 7.155 -4.896 1.00 11.01 O ATOM 625 CB ARG A 40 -5.273 7.332 -1.667 1.00 52.44 C ATOM 626 CG ARG A 40 -6.559 6.792 -1.048 1.00 21.52 C ATOM 627 CD ARG A 40 -7.008 7.610 0.161 1.00 62.15 C ATOM 628 NE ARG A 40 -6.213 7.324 1.354 1.00 62.14 N ATOM 629 CZ ARG A 40 -6.586 6.489 2.287 1.00 51.04 C ATOM 630 NH1 ARG A 40 -7.723 5.885 2.199 1.00 72.21 N ATOM 631 NH2 ARG A 40 -5.833 6.280 3.317 1.00 61.01 N ATOM 0 H ARG A 40 -3.778 8.333 -3.445 1.00 72.15 H new ATOM 0 HA ARG A 40 -4.461 5.588 -2.638 1.00 73.34 H new ATOM 0 HB2 ARG A 40 -4.480 7.290 -0.921 1.00 52.44 H new ATOM 0 HB3 ARG A 40 -5.419 8.383 -1.918 1.00 52.44 H new ATOM 0 HG2 ARG A 40 -7.349 6.793 -1.799 1.00 21.52 H new ATOM 0 HG3 ARG A 40 -6.407 5.756 -0.747 1.00 21.52 H new ATOM 0 HD2 ARG A 40 -6.935 8.672 -0.075 1.00 62.15 H new ATOM 0 HD3 ARG A 40 -8.057 7.401 0.368 1.00 62.15 H new ATOM 0 HE ARG A 40 -5.319 7.802 1.464 1.00 62.14 H new ATOM 0 HH11 ARG A 40 -8.332 6.059 1.400 1.00 72.21 H new ATOM 0 HH12 ARG A 40 -8.012 5.233 2.929 1.00 72.21 H new ATOM 0 HH21 ARG A 40 -4.942 6.768 3.405 1.00 61.01 H new ATOM 0 HH22 ARG A 40 -6.130 5.627 4.042 1.00 61.01 H new ATOM 645 N ALA A 41 -6.829 5.403 -3.690 1.00 74.43 N ATOM 646 CA ALA A 41 -7.945 5.085 -4.602 1.00 32.42 C ATOM 647 C ALA A 41 -8.947 6.245 -4.794 1.00 11.12 C ATOM 648 O ALA A 41 -9.856 6.155 -5.623 1.00 31.44 O ATOM 649 CB ALA A 41 -8.676 3.841 -4.113 1.00 51.40 C ATOM 0 H ALA A 41 -6.777 4.798 -2.871 1.00 74.43 H new ATOM 0 HA ALA A 41 -7.498 4.905 -5.580 1.00 32.42 H new ATOM 0 HB1 ALA A 41 -9.498 3.612 -4.791 1.00 51.40 H new ATOM 0 HB2 ALA A 41 -7.984 3.000 -4.085 1.00 51.40 H new ATOM 0 HB3 ALA A 41 -9.070 4.020 -3.112 1.00 51.40 H new ATOM 655 N ASP A 42 -8.799 7.326 -4.027 1.00 43.41 N ATOM 656 CA ASP A 42 -9.653 8.508 -4.186 1.00 52.23 C ATOM 657 C ASP A 42 -9.069 9.473 -5.236 1.00 45.11 C ATOM 658 O ASP A 42 -9.782 10.301 -5.808 1.00 33.44 O ATOM 659 CB ASP A 42 -9.833 9.228 -2.839 1.00 43.21 C ATOM 660 CG ASP A 42 -8.527 9.738 -2.246 1.00 61.01 C ATOM 661 OD1 ASP A 42 -7.447 9.348 -2.728 1.00 43.12 O ATOM 662 OD2 ASP A 42 -8.579 10.535 -1.286 1.00 22.34 O ATOM 0 H ASP A 42 -8.098 7.409 -3.291 1.00 43.41 H new ATOM 0 HA ASP A 42 -10.630 8.174 -4.536 1.00 52.23 H new ATOM 0 HB2 ASP A 42 -10.515 10.068 -2.973 1.00 43.21 H new ATOM 0 HB3 ASP A 42 -10.303 8.546 -2.131 1.00 43.21 H new ATOM 667 N GLY A 43 -7.760 9.356 -5.479 1.00 22.01 N ATOM 668 CA GLY A 43 -7.081 10.204 -6.455 1.00 41.25 C ATOM 669 C GLY A 43 -6.066 11.155 -5.826 1.00 40.42 C ATOM 670 O GLY A 43 -5.437 11.951 -6.525 1.00 22.22 O ATOM 0 H GLY A 43 -7.153 8.682 -5.012 1.00 22.01 H new ATOM 0 HA2 GLY A 43 -6.573 9.572 -7.184 1.00 41.25 H new ATOM 0 HA3 GLY A 43 -7.824 10.786 -7.000 1.00 41.25 H new ATOM 674 N SER A 44 -5.902 11.076 -4.507 1.00 32.04 N ATOM 675 CA SER A 44 -4.960 11.946 -3.781 1.00 30.31 C ATOM 676 C SER A 44 -3.613 11.243 -3.550 1.00 0.00 C ATOM 677 O SER A 44 -3.444 10.075 -3.893 1.00 71.15 O ATOM 678 CB SER A 44 -5.563 12.374 -2.437 1.00 55.34 C ATOM 679 OG SER A 44 -4.719 13.290 -1.753 1.00 53.12 O ATOM 0 H SER A 44 -6.407 10.419 -3.912 1.00 32.04 H new ATOM 0 HA SER A 44 -4.781 12.829 -4.394 1.00 30.31 H new ATOM 0 HB2 SER A 44 -6.538 12.832 -2.604 1.00 55.34 H new ATOM 0 HB3 SER A 44 -5.727 11.494 -1.814 1.00 55.34 H new ATOM 0 HG SER A 44 -5.133 13.544 -0.902 1.00 53.12 H new ATOM 685 N ILE A 45 -2.656 11.962 -2.962 1.00 71.10 N ATOM 686 CA ILE A 45 -1.314 11.414 -2.702 1.00 3.21 C ATOM 687 C ILE A 45 -1.205 10.808 -1.289 1.00 2.31 C ATOM 688 O ILE A 45 -1.673 11.389 -0.307 1.00 11.22 O ATOM 689 CB ILE A 45 -0.216 12.502 -2.876 1.00 43.11 C ATOM 690 CG1 ILE A 45 -0.178 13.006 -4.332 1.00 25.24 C ATOM 691 CG2 ILE A 45 1.159 11.969 -2.459 1.00 40.25 C ATOM 692 CD1 ILE A 45 0.205 11.943 -5.342 1.00 33.11 C ATOM 0 H ILE A 45 -2.780 12.927 -2.655 1.00 71.10 H new ATOM 0 HA ILE A 45 -1.157 10.623 -3.435 1.00 3.21 H new ATOM 0 HB ILE A 45 -0.467 13.339 -2.224 1.00 43.11 H new ATOM 0 HG12 ILE A 45 -1.158 13.405 -4.593 1.00 25.24 H new ATOM 0 HG13 ILE A 45 0.531 13.831 -4.402 1.00 25.24 H new ATOM 0 HG21 ILE A 45 1.907 12.750 -2.591 1.00 40.25 H new ATOM 0 HG22 ILE A 45 1.130 11.667 -1.412 1.00 40.25 H new ATOM 0 HG23 ILE A 45 1.419 11.110 -3.077 1.00 40.25 H new ATOM 0 HD11 ILE A 45 0.209 12.376 -6.342 1.00 33.11 H new ATOM 0 HD12 ILE A 45 1.198 11.560 -5.108 1.00 33.11 H new ATOM 0 HD13 ILE A 45 -0.517 11.127 -5.303 1.00 33.11 H new ATOM 704 N GLN A 46 -0.574 9.639 -1.200 1.00 73.30 N ATOM 705 CA GLN A 46 -0.365 8.958 0.082 1.00 35.12 C ATOM 706 C GLN A 46 0.804 9.582 0.866 1.00 32.22 C ATOM 707 O GLN A 46 1.931 9.655 0.368 1.00 34.51 O ATOM 708 CB GLN A 46 -0.103 7.461 -0.154 1.00 11.32 C ATOM 709 CG GLN A 46 0.152 6.668 1.123 1.00 22.23 C ATOM 710 CD GLN A 46 -1.002 6.758 2.110 1.00 62.42 C ATOM 711 OE1 GLN A 46 -1.045 7.647 2.951 1.00 0.00 O ATOM 712 NE2 GLN A 46 -1.947 5.847 2.009 1.00 54.25 N ATOM 0 H GLN A 46 -0.195 9.139 -2.004 1.00 73.30 H new ATOM 0 HA GLN A 46 -1.270 9.077 0.678 1.00 35.12 H new ATOM 0 HB2 GLN A 46 -0.959 7.030 -0.672 1.00 11.32 H new ATOM 0 HB3 GLN A 46 0.757 7.353 -0.815 1.00 11.32 H new ATOM 0 HG2 GLN A 46 0.326 5.623 0.868 1.00 22.23 H new ATOM 0 HG3 GLN A 46 1.061 7.036 1.599 1.00 22.23 H new ATOM 0 HE21 GLN A 46 -1.880 5.120 1.297 1.00 54.25 H new ATOM 0 HE22 GLN A 46 -2.746 5.868 2.643 1.00 54.25 H new ATOM 721 N ASN A 47 0.528 10.036 2.088 1.00 24.52 N ATOM 722 CA ASN A 47 1.552 10.658 2.942 1.00 24.35 C ATOM 723 C ASN A 47 1.781 9.851 4.232 1.00 44.25 C ATOM 724 O ASN A 47 2.767 10.056 4.943 1.00 74.44 O ATOM 725 CB ASN A 47 1.133 12.092 3.302 1.00 45.12 C ATOM 726 CG ASN A 47 0.874 12.964 2.083 1.00 13.12 C ATOM 727 OD1 ASN A 47 0.024 13.850 2.110 1.00 63.12 O ATOM 728 ND2 ASN A 47 1.605 12.738 1.007 1.00 21.42 N ATOM 0 H ASN A 47 -0.397 9.987 2.514 1.00 24.52 H new ATOM 0 HA ASN A 47 2.486 10.674 2.381 1.00 24.35 H new ATOM 0 HB2 ASN A 47 0.232 12.058 3.914 1.00 45.12 H new ATOM 0 HB3 ASN A 47 1.914 12.550 3.909 1.00 45.12 H new ATOM 0 HD21 ASN A 47 1.471 13.306 0.171 1.00 21.42 H new ATOM 0 HD22 ASN A 47 2.304 11.995 1.012 1.00 21.42 H new ATOM 735 N GLN A 48 0.868 8.930 4.521 1.00 42.32 N ATOM 736 CA GLN A 48 0.891 8.162 5.772 1.00 72.44 C ATOM 737 C GLN A 48 1.673 6.844 5.628 1.00 45.23 C ATOM 738 O GLN A 48 1.332 5.997 4.801 1.00 55.54 O ATOM 739 CB GLN A 48 -0.544 7.854 6.211 1.00 42.01 C ATOM 740 CG GLN A 48 -1.433 9.087 6.351 1.00 12.23 C ATOM 741 CD GLN A 48 -2.874 8.732 6.663 1.00 21.14 C ATOM 742 OE1 GLN A 48 -3.696 8.559 5.766 1.00 22.01 O ATOM 743 NE2 GLN A 48 -3.193 8.605 7.934 1.00 5.32 N ATOM 0 H GLN A 48 0.093 8.692 3.902 1.00 42.32 H new ATOM 0 HA GLN A 48 1.397 8.770 6.522 1.00 72.44 H new ATOM 0 HB2 GLN A 48 -0.995 7.174 5.488 1.00 42.01 H new ATOM 0 HB3 GLN A 48 -0.515 7.330 7.166 1.00 42.01 H new ATOM 0 HG2 GLN A 48 -1.040 9.726 7.142 1.00 12.23 H new ATOM 0 HG3 GLN A 48 -1.396 9.664 5.427 1.00 12.23 H new ATOM 0 HE21 GLN A 48 -2.487 8.755 8.655 1.00 5.32 H new ATOM 0 HE22 GLN A 48 -4.146 8.356 8.198 1.00 5.32 H new ATOM 752 N SER A 49 2.714 6.679 6.441 1.00 70.33 N ATOM 753 CA SER A 49 3.469 5.417 6.488 1.00 12.21 C ATOM 754 C SER A 49 2.687 4.334 7.252 1.00 51.24 C ATOM 755 O SER A 49 1.660 4.617 7.879 1.00 13.44 O ATOM 756 CB SER A 49 4.847 5.639 7.134 1.00 21.52 C ATOM 757 OG SER A 49 4.734 6.223 8.425 1.00 73.14 O ATOM 0 H SER A 49 3.058 7.398 7.077 1.00 70.33 H new ATOM 0 HA SER A 49 3.614 5.072 5.464 1.00 12.21 H new ATOM 0 HB2 SER A 49 5.371 4.686 7.210 1.00 21.52 H new ATOM 0 HB3 SER A 49 5.449 6.284 6.494 1.00 21.52 H new ATOM 0 HG SER A 49 5.628 6.348 8.807 1.00 73.14 H new ATOM 763 N LEU A 50 3.164 3.087 7.195 1.00 63.23 N ATOM 764 CA LEU A 50 2.455 1.971 7.833 1.00 71.43 C ATOM 765 C LEU A 50 3.369 0.766 8.132 1.00 61.25 C ATOM 766 O LEU A 50 4.366 0.528 7.447 1.00 71.31 O ATOM 767 CB LEU A 50 1.251 1.545 6.960 1.00 11.34 C ATOM 768 CG LEU A 50 1.505 1.445 5.435 1.00 2.51 C ATOM 769 CD1 LEU A 50 2.402 0.261 5.081 1.00 64.51 C ATOM 770 CD2 LEU A 50 0.186 1.358 4.670 1.00 64.31 C ATOM 0 H LEU A 50 4.028 2.825 6.720 1.00 63.23 H new ATOM 0 HA LEU A 50 2.098 2.327 8.799 1.00 71.43 H new ATOM 0 HB2 LEU A 50 0.901 0.575 7.312 1.00 11.34 H new ATOM 0 HB3 LEU A 50 0.441 2.256 7.125 1.00 11.34 H new ATOM 0 HG LEU A 50 2.026 2.355 5.137 1.00 2.51 H new ATOM 0 HD11 LEU A 50 2.554 0.229 4.002 1.00 64.51 H new ATOM 0 HD12 LEU A 50 3.365 0.372 5.580 1.00 64.51 H new ATOM 0 HD13 LEU A 50 1.929 -0.665 5.408 1.00 64.51 H new ATOM 0 HD21 LEU A 50 0.389 1.289 3.601 1.00 64.31 H new ATOM 0 HD22 LEU A 50 -0.364 0.474 4.993 1.00 64.31 H new ATOM 0 HD23 LEU A 50 -0.409 2.249 4.869 1.00 64.31 H new ATOM 782 N HIS A 51 3.025 0.022 9.181 1.00 31.42 N ATOM 783 CA HIS A 51 3.710 -1.230 9.522 1.00 42.32 C ATOM 784 C HIS A 51 2.763 -2.430 9.387 1.00 24.04 C ATOM 785 O HIS A 51 3.205 -3.569 9.234 1.00 54.21 O ATOM 786 CB HIS A 51 4.286 -1.166 10.944 1.00 72.13 C ATOM 787 CG HIS A 51 5.651 -0.559 11.013 1.00 20.50 C ATOM 788 ND1 HIS A 51 5.887 0.792 10.874 1.00 42.04 N ATOM 789 CD2 HIS A 51 6.863 -1.129 11.198 1.00 52.41 C ATOM 790 CE1 HIS A 51 7.182 1.024 10.974 1.00 22.22 C ATOM 791 NE2 HIS A 51 7.792 -0.124 11.169 1.00 64.44 N ATOM 0 H HIS A 51 2.267 0.266 9.818 1.00 31.42 H new ATOM 0 HA HIS A 51 4.533 -1.361 8.819 1.00 42.32 H new ATOM 0 HB2 HIS A 51 3.609 -0.590 11.575 1.00 72.13 H new ATOM 0 HB3 HIS A 51 4.325 -2.174 11.356 1.00 72.13 H new ATOM 0 HD2 HIS A 51 7.061 -2.181 11.342 1.00 52.41 H new ATOM 0 HE1 HIS A 51 7.659 1.991 10.907 1.00 22.22 H new ATOM 0 HE2 HIS A 51 8.798 -0.247 11.281 1.00 64.44 H new ATOM 800 N GLU A 52 1.460 -2.168 9.470 1.00 11.43 N ATOM 801 CA GLU A 52 0.441 -3.205 9.285 1.00 61.14 C ATOM 802 C GLU A 52 -0.441 -2.880 8.071 1.00 11.15 C ATOM 803 O GLU A 52 -1.034 -1.801 7.986 1.00 13.43 O ATOM 804 CB GLU A 52 -0.430 -3.344 10.546 1.00 41.31 C ATOM 805 CG GLU A 52 0.337 -3.714 11.820 1.00 73.01 C ATOM 806 CD GLU A 52 1.169 -2.571 12.396 1.00 62.20 C ATOM 807 OE1 GLU A 52 0.855 -1.393 12.111 1.00 54.52 O ATOM 808 OE2 GLU A 52 2.124 -2.838 13.155 1.00 1.14 O ATOM 0 H GLU A 52 1.081 -1.241 9.665 1.00 11.43 H new ATOM 0 HA GLU A 52 0.950 -4.153 9.108 1.00 61.14 H new ATOM 0 HB2 GLU A 52 -0.953 -2.403 10.714 1.00 41.31 H new ATOM 0 HB3 GLU A 52 -1.190 -4.103 10.363 1.00 41.31 H new ATOM 0 HG2 GLU A 52 -0.374 -4.049 12.575 1.00 73.01 H new ATOM 0 HG3 GLU A 52 0.995 -4.556 11.605 1.00 73.01 H new ATOM 815 N ALA A 53 -0.532 -3.824 7.141 1.00 3.41 N ATOM 816 CA ALA A 53 -1.305 -3.632 5.911 1.00 53.33 C ATOM 817 C ALA A 53 -1.801 -4.974 5.352 1.00 74.34 C ATOM 818 O ALA A 53 -1.473 -6.036 5.881 1.00 60.13 O ATOM 819 CB ALA A 53 -0.464 -2.892 4.874 1.00 2.34 C ATOM 0 H ALA A 53 -0.079 -4.735 7.213 1.00 3.41 H new ATOM 0 HA ALA A 53 -2.182 -3.029 6.148 1.00 53.33 H new ATOM 0 HB1 ALA A 53 -1.047 -2.754 3.964 1.00 2.34 H new ATOM 0 HB2 ALA A 53 -0.173 -1.919 5.269 1.00 2.34 H new ATOM 0 HB3 ALA A 53 0.430 -3.474 4.648 1.00 2.34 H new ATOM 825 N LEU A 54 -2.584 -4.922 4.280 1.00 20.41 N ATOM 826 CA LEU A 54 -3.150 -6.134 3.667 1.00 72.00 C ATOM 827 C LEU A 54 -2.774 -6.236 2.181 1.00 72.20 C ATOM 828 O LEU A 54 -2.950 -5.289 1.420 1.00 21.12 O ATOM 829 CB LEU A 54 -4.677 -6.144 3.827 1.00 14.42 C ATOM 830 CG LEU A 54 -5.188 -6.093 5.278 1.00 13.43 C ATOM 831 CD1 LEU A 54 -6.710 -6.001 5.313 1.00 21.32 C ATOM 832 CD2 LEU A 54 -4.700 -7.309 6.063 1.00 61.20 C ATOM 0 H LEU A 54 -2.846 -4.055 3.811 1.00 20.41 H new ATOM 0 HA LEU A 54 -2.730 -6.998 4.181 1.00 72.00 H new ATOM 0 HB2 LEU A 54 -5.088 -5.293 3.285 1.00 14.42 H new ATOM 0 HB3 LEU A 54 -5.069 -7.044 3.353 1.00 14.42 H new ATOM 0 HG LEU A 54 -4.785 -5.197 5.751 1.00 13.43 H new ATOM 0 HD11 LEU A 54 -7.049 -5.966 6.348 1.00 21.32 H new ATOM 0 HD12 LEU A 54 -7.032 -5.097 4.795 1.00 21.32 H new ATOM 0 HD13 LEU A 54 -7.139 -6.874 4.820 1.00 21.32 H new ATOM 0 HD21 LEU A 54 -5.072 -7.255 7.086 1.00 61.20 H new ATOM 0 HD22 LEU A 54 -5.069 -8.219 5.591 1.00 61.20 H new ATOM 0 HD23 LEU A 54 -3.610 -7.322 6.073 1.00 61.20 H new ATOM 844 N ILE A 55 -2.263 -7.394 1.772 1.00 61.12 N ATOM 845 CA ILE A 55 -1.852 -7.615 0.384 1.00 35.22 C ATOM 846 C ILE A 55 -2.903 -8.440 -0.388 1.00 31.25 C ATOM 847 O ILE A 55 -3.553 -9.326 0.173 1.00 53.45 O ATOM 848 CB ILE A 55 -0.477 -8.335 0.324 1.00 31.34 C ATOM 849 CG1 ILE A 55 0.035 -8.428 -1.124 1.00 64.14 C ATOM 850 CG2 ILE A 55 -0.557 -9.725 0.960 1.00 31.44 C ATOM 851 CD1 ILE A 55 0.264 -7.081 -1.781 1.00 72.14 C ATOM 0 H ILE A 55 -2.122 -8.198 2.383 1.00 61.12 H new ATOM 0 HA ILE A 55 -1.764 -6.637 -0.088 1.00 35.22 H new ATOM 0 HB ILE A 55 0.235 -7.741 0.897 1.00 31.34 H new ATOM 0 HG12 ILE A 55 0.969 -8.990 -1.134 1.00 64.14 H new ATOM 0 HG13 ILE A 55 -0.683 -8.994 -1.718 1.00 64.14 H new ATOM 0 HG21 ILE A 55 0.419 -10.207 0.905 1.00 31.44 H new ATOM 0 HG22 ILE A 55 -0.857 -9.631 2.004 1.00 31.44 H new ATOM 0 HG23 ILE A 55 -1.291 -10.328 0.425 1.00 31.44 H new ATOM 0 HD11 ILE A 55 0.624 -7.229 -2.799 1.00 72.14 H new ATOM 0 HD12 ILE A 55 -0.673 -6.524 -1.805 1.00 72.14 H new ATOM 0 HD13 ILE A 55 1.005 -6.520 -1.212 1.00 72.14 H new ATOM 863 N THR A 56 -3.071 -8.123 -1.670 1.00 3.02 N ATOM 864 CA THR A 56 -4.019 -8.834 -2.544 1.00 42.31 C ATOM 865 C THR A 56 -3.413 -10.117 -3.131 1.00 43.14 C ATOM 866 O THR A 56 -2.194 -10.253 -3.230 1.00 23.01 O ATOM 867 CB THR A 56 -4.477 -7.933 -3.719 1.00 23.13 C ATOM 868 OG1 THR A 56 -3.329 -7.431 -4.419 1.00 13.05 O ATOM 869 CG2 THR A 56 -5.332 -6.766 -3.231 1.00 51.52 C ATOM 0 H THR A 56 -2.561 -7.372 -2.136 1.00 3.02 H new ATOM 0 HA THR A 56 -4.871 -9.096 -1.917 1.00 42.31 H new ATOM 0 HB THR A 56 -5.086 -8.539 -4.390 1.00 23.13 H new ATOM 0 HG1 THR A 56 -3.029 -6.597 -4.000 1.00 13.05 H new ATOM 0 HG21 THR A 56 -5.635 -6.156 -4.082 1.00 51.52 H new ATOM 0 HG22 THR A 56 -6.218 -7.150 -2.726 1.00 51.52 H new ATOM 0 HG23 THR A 56 -4.754 -6.157 -2.536 1.00 51.52 H new ATOM 877 N ARG A 57 -4.285 -11.048 -3.528 1.00 21.10 N ATOM 878 CA ARG A 57 -3.866 -12.294 -4.189 1.00 1.03 C ATOM 879 C ARG A 57 -2.973 -12.030 -5.419 1.00 31.41 C ATOM 880 O ARG A 57 -2.056 -12.799 -5.712 1.00 10.42 O ATOM 881 CB ARG A 57 -5.108 -13.081 -4.633 1.00 42.42 C ATOM 882 CG ARG A 57 -6.074 -12.256 -5.484 1.00 2.13 C ATOM 883 CD ARG A 57 -7.169 -13.109 -6.113 1.00 25.12 C ATOM 884 NE ARG A 57 -8.169 -12.287 -6.796 1.00 31.03 N ATOM 885 CZ ARG A 57 -8.102 -11.919 -8.049 1.00 14.43 C ATOM 886 NH1 ARG A 57 -7.094 -12.253 -8.793 1.00 51.25 N ATOM 887 NH2 ARG A 57 -9.058 -11.207 -8.554 1.00 24.20 N ATOM 0 H ARG A 57 -5.294 -10.964 -3.403 1.00 21.10 H new ATOM 0 HA ARG A 57 -3.283 -12.867 -3.467 1.00 1.03 H new ATOM 0 HB2 ARG A 57 -4.791 -13.956 -5.200 1.00 42.42 H new ATOM 0 HB3 ARG A 57 -5.633 -13.446 -3.750 1.00 42.42 H new ATOM 0 HG2 ARG A 57 -6.530 -11.483 -4.865 1.00 2.13 H new ATOM 0 HG3 ARG A 57 -5.517 -11.747 -6.271 1.00 2.13 H new ATOM 0 HD2 ARG A 57 -6.725 -13.806 -6.823 1.00 25.12 H new ATOM 0 HD3 ARG A 57 -7.654 -13.706 -5.341 1.00 25.12 H new ATOM 0 HE ARG A 57 -8.977 -11.979 -6.255 1.00 31.03 H new ATOM 0 HH11 ARG A 57 -6.335 -12.812 -8.403 1.00 51.25 H new ATOM 0 HH12 ARG A 57 -7.060 -11.956 -9.768 1.00 51.25 H new ATOM 0 HH21 ARG A 57 -9.854 -10.938 -7.976 1.00 24.20 H new ATOM 0 HH22 ARG A 57 -9.015 -10.915 -9.530 1.00 24.20 H new ATOM 901 N ASP A 58 -3.258 -10.944 -6.131 1.00 63.14 N ATOM 902 CA ASP A 58 -2.517 -10.576 -7.347 1.00 14.41 C ATOM 903 C ASP A 58 -1.370 -9.592 -7.048 1.00 30.03 C ATOM 904 O ASP A 58 -0.537 -9.314 -7.914 1.00 75.35 O ATOM 905 CB ASP A 58 -3.492 -9.963 -8.358 1.00 62.11 C ATOM 906 CG ASP A 58 -4.381 -8.902 -7.726 1.00 33.14 C ATOM 907 OD1 ASP A 58 -3.900 -7.773 -7.509 1.00 24.31 O ATOM 908 OD2 ASP A 58 -5.560 -9.201 -7.438 1.00 14.54 O ATOM 0 H ASP A 58 -4.004 -10.293 -5.888 1.00 63.14 H new ATOM 0 HA ASP A 58 -2.065 -11.478 -7.760 1.00 14.41 H new ATOM 0 HB2 ASP A 58 -2.930 -9.521 -9.181 1.00 62.11 H new ATOM 0 HB3 ASP A 58 -4.114 -10.750 -8.784 1.00 62.11 H new ATOM 913 N ARG A 59 -1.341 -9.074 -5.820 1.00 64.01 N ATOM 914 CA ARG A 59 -0.292 -8.152 -5.363 1.00 11.23 C ATOM 915 C ARG A 59 -0.204 -6.874 -6.218 1.00 4.34 C ATOM 916 O ARG A 59 0.833 -6.207 -6.251 1.00 74.41 O ATOM 917 CB ARG A 59 1.070 -8.867 -5.302 1.00 31.41 C ATOM 918 CG ARG A 59 1.112 -10.004 -4.283 1.00 41.12 C ATOM 919 CD ARG A 59 2.525 -10.543 -4.066 1.00 1.11 C ATOM 920 NE ARG A 59 2.560 -11.528 -2.985 1.00 13.13 N ATOM 921 CZ ARG A 59 3.603 -11.772 -2.235 1.00 2.31 C ATOM 922 NH1 ARG A 59 4.739 -11.192 -2.461 1.00 3.24 N ATOM 923 NH2 ARG A 59 3.505 -12.618 -1.264 1.00 62.24 N ATOM 0 H ARG A 59 -2.044 -9.280 -5.110 1.00 64.01 H new ATOM 0 HA ARG A 59 -0.569 -7.833 -4.358 1.00 11.23 H new ATOM 0 HB2 ARG A 59 1.308 -9.264 -6.289 1.00 31.41 H new ATOM 0 HB3 ARG A 59 1.843 -8.139 -5.056 1.00 31.41 H new ATOM 0 HG2 ARG A 59 0.711 -9.651 -3.333 1.00 41.12 H new ATOM 0 HG3 ARG A 59 0.465 -10.814 -4.620 1.00 41.12 H new ATOM 0 HD2 ARG A 59 2.888 -10.999 -4.987 1.00 1.11 H new ATOM 0 HD3 ARG A 59 3.198 -9.719 -3.831 1.00 1.11 H new ATOM 0 HE ARG A 59 1.710 -12.062 -2.803 1.00 13.13 H new ATOM 0 HH11 ARG A 59 4.830 -10.533 -3.234 1.00 3.24 H new ATOM 0 HH12 ARG A 59 5.542 -11.394 -1.866 1.00 3.24 H new ATOM 0 HH21 ARG A 59 2.619 -13.090 -1.087 1.00 62.24 H new ATOM 0 HH22 ARG A 59 4.314 -12.814 -0.675 1.00 62.24 H new ATOM 937 N LYS A 60 -1.297 -6.520 -6.893 1.00 14.20 N ATOM 938 CA LYS A 60 -1.362 -5.259 -7.645 1.00 54.43 C ATOM 939 C LYS A 60 -1.852 -4.114 -6.748 1.00 34.03 C ATOM 940 O LYS A 60 -1.501 -2.949 -6.956 1.00 13.34 O ATOM 941 CB LYS A 60 -2.291 -5.388 -8.859 1.00 50.14 C ATOM 942 CG LYS A 60 -1.898 -6.496 -9.833 1.00 71.52 C ATOM 943 CD LYS A 60 -2.850 -6.562 -11.025 1.00 24.52 C ATOM 944 CE LYS A 60 -4.305 -6.696 -10.583 1.00 41.10 C ATOM 945 NZ LYS A 60 -5.233 -6.791 -11.741 1.00 74.12 N ATOM 0 H LYS A 60 -2.147 -7.082 -6.937 1.00 14.20 H new ATOM 0 HA LYS A 60 -0.354 -5.035 -7.994 1.00 54.43 H new ATOM 0 HB2 LYS A 60 -3.306 -5.572 -8.508 1.00 50.14 H new ATOM 0 HB3 LYS A 60 -2.306 -4.438 -9.394 1.00 50.14 H new ATOM 0 HG2 LYS A 60 -0.882 -6.325 -10.188 1.00 71.52 H new ATOM 0 HG3 LYS A 60 -1.898 -7.454 -9.314 1.00 71.52 H new ATOM 0 HD2 LYS A 60 -2.736 -5.663 -11.631 1.00 24.52 H new ATOM 0 HD3 LYS A 60 -2.583 -7.409 -11.657 1.00 24.52 H new ATOM 0 HE2 LYS A 60 -4.414 -7.582 -9.958 1.00 41.10 H new ATOM 0 HE3 LYS A 60 -4.578 -5.838 -9.969 1.00 41.10 H new ATOM 0 HZ1 LYS A 60 -6.210 -6.881 -11.396 1.00 74.12 H new ATOM 0 HZ2 LYS A 60 -5.149 -5.934 -12.324 1.00 74.12 H new ATOM 0 HZ3 LYS A 60 -4.990 -7.625 -12.313 1.00 74.12 H new ATOM 959 N GLN A 61 -2.679 -4.452 -5.759 1.00 64.32 N ATOM 960 CA GLN A 61 -3.196 -3.463 -4.800 1.00 62.21 C ATOM 961 C GLN A 61 -2.861 -3.849 -3.350 1.00 61.51 C ATOM 962 O GLN A 61 -2.734 -5.030 -3.019 1.00 20.05 O ATOM 963 CB GLN A 61 -4.717 -3.302 -4.956 1.00 14.13 C ATOM 964 CG GLN A 61 -5.139 -2.770 -6.322 1.00 64.13 C ATOM 965 CD GLN A 61 -6.644 -2.587 -6.453 1.00 31.54 C ATOM 966 OE1 GLN A 61 -7.345 -2.318 -5.483 1.00 2.13 O ATOM 967 NE2 GLN A 61 -7.153 -2.727 -7.658 1.00 3.21 N ATOM 0 H GLN A 61 -3.009 -5.404 -5.597 1.00 64.32 H new ATOM 0 HA GLN A 61 -2.709 -2.513 -5.020 1.00 62.21 H new ATOM 0 HB2 GLN A 61 -5.195 -4.267 -4.788 1.00 14.13 H new ATOM 0 HB3 GLN A 61 -5.083 -2.626 -4.183 1.00 14.13 H new ATOM 0 HG2 GLN A 61 -4.646 -1.815 -6.501 1.00 64.13 H new ATOM 0 HG3 GLN A 61 -4.794 -3.457 -7.095 1.00 64.13 H new ATOM 0 HE21 GLN A 61 -6.545 -2.951 -8.446 1.00 3.21 H new ATOM 0 HE22 GLN A 61 -8.156 -2.612 -7.805 1.00 3.21 H new ATOM 976 N VAL A 62 -2.713 -2.840 -2.494 1.00 4.43 N ATOM 977 CA VAL A 62 -2.431 -3.051 -1.069 1.00 34.31 C ATOM 978 C VAL A 62 -3.390 -2.228 -0.192 1.00 2.01 C ATOM 979 O VAL A 62 -3.526 -1.023 -0.380 1.00 31.04 O ATOM 980 CB VAL A 62 -0.968 -2.656 -0.717 1.00 11.52 C ATOM 981 CG1 VAL A 62 -0.669 -2.913 0.761 1.00 22.30 C ATOM 982 CG2 VAL A 62 0.026 -3.398 -1.611 1.00 24.51 C ATOM 0 H VAL A 62 -2.784 -1.858 -2.762 1.00 4.43 H new ATOM 0 HA VAL A 62 -2.573 -4.113 -0.870 1.00 34.31 H new ATOM 0 HB VAL A 62 -0.856 -1.587 -0.900 1.00 11.52 H new ATOM 0 HG11 VAL A 62 0.360 -2.628 0.979 1.00 22.30 H new ATOM 0 HG12 VAL A 62 -1.347 -2.323 1.377 1.00 22.30 H new ATOM 0 HG13 VAL A 62 -0.807 -3.972 0.981 1.00 22.30 H new ATOM 0 HG21 VAL A 62 1.042 -3.106 -1.346 1.00 24.51 H new ATOM 0 HG22 VAL A 62 -0.090 -4.473 -1.471 1.00 24.51 H new ATOM 0 HG23 VAL A 62 -0.164 -3.145 -2.654 1.00 24.51 H new ATOM 992 N PHE A 63 -4.050 -2.882 0.759 1.00 63.34 N ATOM 993 CA PHE A 63 -4.951 -2.194 1.697 1.00 24.24 C ATOM 994 C PHE A 63 -4.232 -1.860 3.017 1.00 13.43 C ATOM 995 O PHE A 63 -3.090 -2.267 3.233 1.00 53.24 O ATOM 996 CB PHE A 63 -6.189 -3.057 1.980 1.00 35.13 C ATOM 997 CG PHE A 63 -7.055 -3.306 0.769 1.00 25.13 C ATOM 998 CD1 PHE A 63 -6.827 -4.399 -0.057 1.00 21.54 C ATOM 999 CD2 PHE A 63 -8.098 -2.445 0.459 1.00 64.22 C ATOM 1000 CE1 PHE A 63 -7.623 -4.625 -1.163 1.00 75.14 C ATOM 1001 CE2 PHE A 63 -8.896 -2.669 -0.646 1.00 33.21 C ATOM 1002 CZ PHE A 63 -8.659 -3.758 -1.458 1.00 65.42 C ATOM 0 H PHE A 63 -3.982 -3.889 0.906 1.00 63.34 H new ATOM 0 HA PHE A 63 -5.265 -1.259 1.232 1.00 24.24 H new ATOM 0 HB2 PHE A 63 -5.866 -4.016 2.386 1.00 35.13 H new ATOM 0 HB3 PHE A 63 -6.789 -2.571 2.749 1.00 35.13 H new ATOM 0 HD1 PHE A 63 -6.019 -5.079 0.168 1.00 21.54 H new ATOM 0 HD2 PHE A 63 -8.288 -1.589 1.090 1.00 64.22 H new ATOM 0 HE1 PHE A 63 -7.436 -5.479 -1.797 1.00 75.14 H new ATOM 0 HE2 PHE A 63 -9.705 -1.991 -0.874 1.00 33.21 H new ATOM 0 HZ PHE A 63 -9.282 -3.933 -2.323 1.00 65.42 H new ATOM 1012 N ARG A 64 -4.909 -1.137 3.908 1.00 50.22 N ATOM 1013 CA ARG A 64 -4.282 -0.654 5.148 1.00 74.10 C ATOM 1014 C ARG A 64 -5.092 -1.076 6.386 1.00 74.35 C ATOM 1015 O ARG A 64 -6.288 -1.347 6.293 1.00 30.12 O ATOM 1016 CB ARG A 64 -4.153 0.875 5.088 1.00 13.33 C ATOM 1017 CG ARG A 64 -3.185 1.470 6.109 1.00 4.23 C ATOM 1018 CD ARG A 64 -3.095 2.990 5.982 1.00 0.33 C ATOM 1019 NE ARG A 64 -1.980 3.545 6.750 1.00 51.03 N ATOM 1020 CZ ARG A 64 -2.081 4.557 7.575 1.00 41.02 C ATOM 1021 NH1 ARG A 64 -3.232 5.097 7.819 1.00 64.52 N ATOM 1022 NH2 ARG A 64 -1.027 5.012 8.165 1.00 33.14 N ATOM 0 H ARG A 64 -5.888 -0.871 3.800 1.00 50.22 H new ATOM 0 HA ARG A 64 -3.292 -1.102 5.236 1.00 74.10 H new ATOM 0 HB2 ARG A 64 -3.827 1.160 4.088 1.00 13.33 H new ATOM 0 HB3 ARG A 64 -5.138 1.316 5.240 1.00 13.33 H new ATOM 0 HG2 ARG A 64 -3.511 1.207 7.116 1.00 4.23 H new ATOM 0 HG3 ARG A 64 -2.196 1.034 5.970 1.00 4.23 H new ATOM 0 HD2 ARG A 64 -2.980 3.259 4.932 1.00 0.33 H new ATOM 0 HD3 ARG A 64 -4.028 3.437 6.325 1.00 0.33 H new ATOM 0 HE ARG A 64 -1.062 3.115 6.635 1.00 51.03 H new ATOM 0 HH11 ARG A 64 -4.071 4.735 7.367 1.00 64.52 H new ATOM 0 HH12 ARG A 64 -3.299 5.885 8.463 1.00 64.52 H new ATOM 0 HH21 ARG A 64 -0.118 4.583 7.988 1.00 33.14 H new ATOM 0 HH22 ARG A 64 -1.103 5.800 8.808 1.00 33.14 H new ATOM 1036 N ILE A 65 -4.434 -1.141 7.543 1.00 52.04 N ATOM 1037 CA ILE A 65 -5.103 -1.496 8.803 1.00 53.04 C ATOM 1038 C ILE A 65 -5.131 -0.300 9.772 1.00 24.21 C ATOM 1039 O ILE A 65 -4.099 0.324 10.029 1.00 74.11 O ATOM 1040 CB ILE A 65 -4.397 -2.693 9.493 1.00 12.41 C ATOM 1041 CG1 ILE A 65 -4.398 -3.922 8.568 1.00 22.33 C ATOM 1042 CG2 ILE A 65 -5.069 -3.026 10.827 1.00 54.22 C ATOM 1043 CD1 ILE A 65 -3.700 -5.132 9.154 1.00 13.42 C ATOM 0 H ILE A 65 -3.436 -0.953 7.638 1.00 52.04 H new ATOM 0 HA ILE A 65 -6.126 -1.779 8.554 1.00 53.04 H new ATOM 0 HB ILE A 65 -3.364 -2.410 9.694 1.00 12.41 H new ATOM 0 HG12 ILE A 65 -5.429 -4.187 8.334 1.00 22.33 H new ATOM 0 HG13 ILE A 65 -3.916 -3.657 7.627 1.00 22.33 H new ATOM 0 HG21 ILE A 65 -4.557 -3.868 11.292 1.00 54.22 H new ATOM 0 HG22 ILE A 65 -5.017 -2.160 11.487 1.00 54.22 H new ATOM 0 HG23 ILE A 65 -6.113 -3.287 10.653 1.00 54.22 H new ATOM 0 HD11 ILE A 65 -3.743 -5.957 8.443 1.00 13.42 H new ATOM 0 HD12 ILE A 65 -2.659 -4.886 9.362 1.00 13.42 H new ATOM 0 HD13 ILE A 65 -4.195 -5.425 10.080 1.00 13.42 H new ATOM 1055 N GLU A 66 -6.313 0.025 10.299 1.00 50.54 N ATOM 1056 CA GLU A 66 -6.449 1.106 11.284 1.00 41.35 C ATOM 1057 C GLU A 66 -6.631 0.538 12.702 1.00 4.54 C ATOM 1058 O GLU A 66 -7.542 -0.256 12.946 1.00 53.25 O ATOM 1059 CB GLU A 66 -7.643 2.018 10.935 1.00 35.44 C ATOM 1060 CG GLU A 66 -8.998 1.308 10.942 1.00 2.20 C ATOM 1061 CD GLU A 66 -10.172 2.275 10.938 1.00 63.01 C ATOM 1062 OE1 GLU A 66 -10.502 2.813 12.019 1.00 54.12 O ATOM 1063 OE2 GLU A 66 -10.774 2.503 9.867 1.00 3.21 O ATOM 0 H GLU A 66 -7.189 -0.442 10.063 1.00 50.54 H new ATOM 0 HA GLU A 66 -5.532 1.695 11.255 1.00 41.35 H new ATOM 0 HB2 GLU A 66 -7.675 2.844 11.646 1.00 35.44 H new ATOM 0 HB3 GLU A 66 -7.478 2.452 9.949 1.00 35.44 H new ATOM 0 HG2 GLU A 66 -9.066 0.658 10.070 1.00 2.20 H new ATOM 0 HG3 GLU A 66 -9.063 0.669 11.822 1.00 2.20 H new ATOM 1070 N ASP A 67 -5.762 0.942 13.630 1.00 34.33 N ATOM 1071 CA ASP A 67 -5.838 0.491 15.028 1.00 74.14 C ATOM 1072 C ASP A 67 -5.707 -1.045 15.136 1.00 74.20 C ATOM 1073 O ASP A 67 -4.636 -1.570 15.433 1.00 42.44 O ATOM 1074 CB ASP A 67 -7.155 0.966 15.665 1.00 34.52 C ATOM 1075 CG ASP A 67 -7.207 0.729 17.167 1.00 32.15 C ATOM 1076 OD1 ASP A 67 -7.452 -0.423 17.590 1.00 43.25 O ATOM 1077 OD2 ASP A 67 -7.022 1.700 17.929 1.00 22.44 O ATOM 0 H ASP A 67 -4.992 1.584 13.441 1.00 34.33 H new ATOM 0 HA ASP A 67 -5.001 0.931 15.570 1.00 74.14 H new ATOM 0 HB2 ASP A 67 -7.286 2.030 15.466 1.00 34.52 H new ATOM 0 HB3 ASP A 67 -7.989 0.448 15.192 1.00 34.52 H new ATOM 1082 N SER A 68 -6.811 -1.753 14.902 1.00 64.31 N ATOM 1083 CA SER A 68 -6.821 -3.226 14.923 1.00 73.34 C ATOM 1084 C SER A 68 -7.774 -3.791 13.860 1.00 31.54 C ATOM 1085 O SER A 68 -7.946 -5.005 13.746 1.00 11.24 O ATOM 1086 CB SER A 68 -7.256 -3.737 16.304 1.00 32.20 C ATOM 1087 OG SER A 68 -6.431 -3.219 17.336 1.00 20.15 O ATOM 0 H SER A 68 -7.717 -1.333 14.694 1.00 64.31 H new ATOM 0 HA SER A 68 -5.808 -3.564 14.705 1.00 73.34 H new ATOM 0 HB2 SER A 68 -8.292 -3.452 16.488 1.00 32.20 H new ATOM 0 HB3 SER A 68 -7.217 -4.826 16.318 1.00 32.20 H new ATOM 0 HG SER A 68 -6.675 -2.286 17.512 1.00 20.15 H new ATOM 1093 N ILE A 69 -8.388 -2.901 13.088 1.00 45.23 N ATOM 1094 CA ILE A 69 -9.416 -3.281 12.115 1.00 2.35 C ATOM 1095 C ILE A 69 -8.824 -3.460 10.704 1.00 52.51 C ATOM 1096 O ILE A 69 -8.281 -2.516 10.124 1.00 52.01 O ATOM 1097 CB ILE A 69 -10.536 -2.209 12.055 1.00 1.21 C ATOM 1098 CG1 ILE A 69 -11.060 -1.878 13.467 1.00 30.34 C ATOM 1099 CG2 ILE A 69 -11.679 -2.677 11.152 1.00 33.35 C ATOM 1100 CD1 ILE A 69 -11.642 -3.065 14.207 1.00 3.32 C ATOM 0 H ILE A 69 -8.192 -1.900 13.115 1.00 45.23 H new ATOM 0 HA ILE A 69 -9.831 -4.233 12.447 1.00 2.35 H new ATOM 0 HB ILE A 69 -10.111 -1.299 11.631 1.00 1.21 H new ATOM 0 HG12 ILE A 69 -10.244 -1.461 14.057 1.00 30.34 H new ATOM 0 HG13 ILE A 69 -11.823 -1.104 13.387 1.00 30.34 H new ATOM 0 HG21 ILE A 69 -12.455 -1.912 11.122 1.00 33.35 H new ATOM 0 HG22 ILE A 69 -11.300 -2.849 10.145 1.00 33.35 H new ATOM 0 HG23 ILE A 69 -12.097 -3.604 11.545 1.00 33.35 H new ATOM 0 HD11 ILE A 69 -11.987 -2.747 15.191 1.00 3.32 H new ATOM 0 HD12 ILE A 69 -12.481 -3.470 13.642 1.00 3.32 H new ATOM 0 HD13 ILE A 69 -10.877 -3.833 14.322 1.00 3.32 H new ATOM 1112 N PRO A 70 -8.913 -4.678 10.131 1.00 21.54 N ATOM 1113 CA PRO A 70 -8.479 -4.927 8.748 1.00 45.54 C ATOM 1114 C PRO A 70 -9.413 -4.252 7.725 1.00 44.24 C ATOM 1115 O PRO A 70 -10.504 -4.750 7.438 1.00 62.03 O ATOM 1116 CB PRO A 70 -8.536 -6.459 8.629 1.00 55.40 C ATOM 1117 CG PRO A 70 -9.553 -6.878 9.642 1.00 33.43 C ATOM 1118 CD PRO A 70 -9.426 -5.899 10.783 1.00 11.35 C ATOM 0 HA PRO A 70 -7.491 -4.517 8.538 1.00 45.54 H new ATOM 0 HB2 PRO A 70 -8.826 -6.768 7.625 1.00 55.40 H new ATOM 0 HB3 PRO A 70 -7.564 -6.909 8.833 1.00 55.40 H new ATOM 0 HG2 PRO A 70 -10.557 -6.857 9.219 1.00 33.43 H new ATOM 0 HG3 PRO A 70 -9.371 -7.898 9.980 1.00 33.43 H new ATOM 0 HD2 PRO A 70 -10.385 -5.722 11.269 1.00 11.35 H new ATOM 0 HD3 PRO A 70 -8.742 -6.262 11.550 1.00 11.35 H new ATOM 1126 N VAL A 71 -8.991 -3.105 7.201 1.00 50.03 N ATOM 1127 CA VAL A 71 -9.826 -2.332 6.277 1.00 43.45 C ATOM 1128 C VAL A 71 -9.809 -2.928 4.860 1.00 13.53 C ATOM 1129 O VAL A 71 -8.846 -2.762 4.110 1.00 54.32 O ATOM 1130 CB VAL A 71 -9.386 -0.847 6.220 1.00 72.15 C ATOM 1131 CG1 VAL A 71 -10.357 -0.019 5.376 1.00 2.03 C ATOM 1132 CG2 VAL A 71 -9.258 -0.271 7.629 1.00 63.35 C ATOM 0 H VAL A 71 -8.081 -2.689 7.397 1.00 50.03 H new ATOM 0 HA VAL A 71 -10.844 -2.383 6.663 1.00 43.45 H new ATOM 0 HB VAL A 71 -8.407 -0.800 5.742 1.00 72.15 H new ATOM 0 HG11 VAL A 71 -10.025 1.019 5.353 1.00 2.03 H new ATOM 0 HG12 VAL A 71 -10.385 -0.414 4.361 1.00 2.03 H new ATOM 0 HG13 VAL A 71 -11.354 -0.071 5.813 1.00 2.03 H new ATOM 0 HG21 VAL A 71 -8.948 0.772 7.569 1.00 63.35 H new ATOM 0 HG22 VAL A 71 -10.220 -0.335 8.137 1.00 63.35 H new ATOM 0 HG23 VAL A 71 -8.514 -0.839 8.188 1.00 63.35 H new ATOM 1142 N LEU A 72 -10.885 -3.626 4.510 1.00 11.40 N ATOM 1143 CA LEU A 72 -11.027 -4.230 3.180 1.00 43.04 C ATOM 1144 C LEU A 72 -11.671 -3.239 2.194 1.00 21.13 C ATOM 1145 O LEU A 72 -11.871 -3.549 1.020 1.00 31.52 O ATOM 1146 CB LEU A 72 -11.881 -5.505 3.276 1.00 74.40 C ATOM 1147 CG LEU A 72 -11.436 -6.518 4.347 1.00 32.10 C ATOM 1148 CD1 LEU A 72 -12.348 -7.743 4.349 1.00 20.32 C ATOM 1149 CD2 LEU A 72 -9.979 -6.926 4.142 1.00 54.41 C ATOM 0 H LEU A 72 -11.678 -3.791 5.130 1.00 11.40 H new ATOM 0 HA LEU A 72 -10.035 -4.486 2.809 1.00 43.04 H new ATOM 0 HB2 LEU A 72 -12.912 -5.217 3.479 1.00 74.40 H new ATOM 0 HB3 LEU A 72 -11.874 -6.001 2.305 1.00 74.40 H new ATOM 0 HG LEU A 72 -11.516 -6.034 5.321 1.00 32.10 H new ATOM 0 HD11 LEU A 72 -12.014 -8.444 5.114 1.00 20.32 H new ATOM 0 HD12 LEU A 72 -13.371 -7.434 4.562 1.00 20.32 H new ATOM 0 HD13 LEU A 72 -12.311 -8.226 3.373 1.00 20.32 H new ATOM 0 HD21 LEU A 72 -9.690 -7.642 4.911 1.00 54.41 H new ATOM 0 HD22 LEU A 72 -9.864 -7.383 3.159 1.00 54.41 H new ATOM 0 HD23 LEU A 72 -9.341 -6.044 4.209 1.00 54.41 H new ATOM 1161 N LEU A 73 -11.997 -2.047 2.693 1.00 33.45 N ATOM 1162 CA LEU A 73 -12.627 -0.994 1.886 1.00 64.13 C ATOM 1163 C LEU A 73 -11.672 -0.451 0.809 1.00 53.41 C ATOM 1164 O LEU A 73 -10.473 -0.302 1.049 1.00 23.00 O ATOM 1165 CB LEU A 73 -13.086 0.156 2.795 1.00 50.32 C ATOM 1166 CG LEU A 73 -14.105 -0.230 3.881 1.00 73.43 C ATOM 1167 CD1 LEU A 73 -14.437 0.971 4.763 1.00 54.22 C ATOM 1168 CD2 LEU A 73 -15.373 -0.813 3.256 1.00 13.24 C ATOM 0 H LEU A 73 -11.834 -1.781 3.664 1.00 33.45 H new ATOM 0 HA LEU A 73 -13.487 -1.434 1.381 1.00 64.13 H new ATOM 0 HB2 LEU A 73 -12.209 0.586 3.279 1.00 50.32 H new ATOM 0 HB3 LEU A 73 -13.522 0.937 2.172 1.00 50.32 H new ATOM 0 HG LEU A 73 -13.655 -0.998 4.510 1.00 73.43 H new ATOM 0 HD11 LEU A 73 -15.159 0.675 5.524 1.00 54.22 H new ATOM 0 HD12 LEU A 73 -13.528 1.330 5.246 1.00 54.22 H new ATOM 0 HD13 LEU A 73 -14.861 1.766 4.150 1.00 54.22 H new ATOM 0 HD21 LEU A 73 -16.078 -1.078 4.044 1.00 13.24 H new ATOM 0 HD22 LEU A 73 -15.827 -0.073 2.597 1.00 13.24 H new ATOM 0 HD23 LEU A 73 -15.119 -1.704 2.681 1.00 13.24 H new ATOM 1180 N PRO A 74 -12.199 -0.105 -0.387 1.00 32.24 N ATOM 1181 CA PRO A 74 -11.376 0.387 -1.508 1.00 25.14 C ATOM 1182 C PRO A 74 -10.639 1.696 -1.183 1.00 52.04 C ATOM 1183 O PRO A 74 -9.715 2.089 -1.890 1.00 62.53 O ATOM 1184 CB PRO A 74 -12.395 0.607 -2.640 1.00 12.21 C ATOM 1185 CG PRO A 74 -13.709 0.744 -1.947 1.00 23.33 C ATOM 1186 CD PRO A 74 -13.633 -0.156 -0.744 1.00 3.30 C ATOM 0 HA PRO A 74 -10.585 -0.319 -1.760 1.00 25.14 H new ATOM 0 HB2 PRO A 74 -12.158 1.500 -3.218 1.00 12.21 H new ATOM 0 HB3 PRO A 74 -12.400 -0.232 -3.336 1.00 12.21 H new ATOM 0 HG2 PRO A 74 -13.889 1.778 -1.651 1.00 23.33 H new ATOM 0 HG3 PRO A 74 -14.529 0.452 -2.603 1.00 23.33 H new ATOM 0 HD2 PRO A 74 -14.265 0.201 0.069 1.00 3.30 H new ATOM 0 HD3 PRO A 74 -13.956 -1.171 -0.977 1.00 3.30 H new ATOM 1194 N GLU A 75 -11.056 2.360 -0.106 1.00 53.34 N ATOM 1195 CA GLU A 75 -10.440 3.616 0.332 1.00 11.41 C ATOM 1196 C GLU A 75 -8.918 3.497 0.483 1.00 0.00 C ATOM 1197 O GLU A 75 -8.170 4.361 0.023 1.00 30.13 O ATOM 1198 CB GLU A 75 -11.046 4.058 1.670 1.00 4.21 C ATOM 1199 CG GLU A 75 -12.544 4.328 1.607 1.00 31.12 C ATOM 1200 CD GLU A 75 -12.893 5.384 0.575 1.00 44.53 C ATOM 1201 OE1 GLU A 75 -12.553 6.567 0.793 1.00 41.50 O ATOM 1202 OE2 GLU A 75 -13.501 5.042 -0.460 1.00 53.45 O ATOM 0 H GLU A 75 -11.825 2.047 0.486 1.00 53.34 H new ATOM 0 HA GLU A 75 -10.643 4.358 -0.440 1.00 11.41 H new ATOM 0 HB2 GLU A 75 -10.856 3.287 2.417 1.00 4.21 H new ATOM 0 HB3 GLU A 75 -10.537 4.961 2.008 1.00 4.21 H new ATOM 0 HG2 GLU A 75 -13.069 3.403 1.369 1.00 31.12 H new ATOM 0 HG3 GLU A 75 -12.895 4.650 2.587 1.00 31.12 H new ATOM 1209 N GLU A 76 -8.469 2.420 1.118 1.00 65.34 N ATOM 1210 CA GLU A 76 -7.041 2.233 1.412 1.00 54.14 C ATOM 1211 C GLU A 76 -6.297 1.525 0.267 1.00 53.22 C ATOM 1212 O GLU A 76 -5.120 1.190 0.400 1.00 45.44 O ATOM 1213 CB GLU A 76 -6.870 1.419 2.705 1.00 25.35 C ATOM 1214 CG GLU A 76 -7.720 1.903 3.880 1.00 42.03 C ATOM 1215 CD GLU A 76 -7.545 3.383 4.189 1.00 11.00 C ATOM 1216 OE1 GLU A 76 -6.414 3.805 4.508 1.00 13.34 O ATOM 1217 OE2 GLU A 76 -8.541 4.136 4.101 1.00 74.42 O ATOM 0 H GLU A 76 -9.068 1.660 1.441 1.00 65.34 H new ATOM 0 HA GLU A 76 -6.607 3.226 1.531 1.00 54.14 H new ATOM 0 HB2 GLU A 76 -7.118 0.378 2.499 1.00 25.35 H new ATOM 0 HB3 GLU A 76 -5.821 1.444 2.998 1.00 25.35 H new ATOM 0 HG2 GLU A 76 -8.770 1.707 3.663 1.00 42.03 H new ATOM 0 HG3 GLU A 76 -7.464 1.322 4.766 1.00 42.03 H new ATOM 1224 N ALA A 77 -6.980 1.312 -0.859 1.00 73.11 N ATOM 1225 CA ALA A 77 -6.408 0.562 -1.987 1.00 4.12 C ATOM 1226 C ALA A 77 -5.254 1.319 -2.672 1.00 42.23 C ATOM 1227 O ALA A 77 -5.477 2.239 -3.464 1.00 21.34 O ATOM 1228 CB ALA A 77 -7.495 0.211 -3.003 1.00 50.51 C ATOM 0 H ALA A 77 -7.930 1.647 -1.018 1.00 73.11 H new ATOM 0 HA ALA A 77 -5.989 -0.358 -1.579 1.00 4.12 H new ATOM 0 HB1 ALA A 77 -7.054 -0.344 -3.831 1.00 50.51 H new ATOM 0 HB2 ALA A 77 -8.258 -0.401 -2.522 1.00 50.51 H new ATOM 0 HB3 ALA A 77 -7.949 1.127 -3.381 1.00 50.51 H new ATOM 1234 N ILE A 78 -4.026 0.933 -2.344 1.00 60.14 N ATOM 1235 CA ILE A 78 -2.822 1.490 -2.970 1.00 14.24 C ATOM 1236 C ILE A 78 -2.389 0.652 -4.189 1.00 60.21 C ATOM 1237 O ILE A 78 -2.353 -0.575 -4.125 1.00 30.42 O ATOM 1238 CB ILE A 78 -1.654 1.547 -1.948 1.00 71.13 C ATOM 1239 CG1 ILE A 78 -2.009 2.467 -0.763 1.00 33.01 C ATOM 1240 CG2 ILE A 78 -0.356 1.997 -2.622 1.00 3.11 C ATOM 1241 CD1 ILE A 78 -2.295 3.903 -1.155 1.00 64.24 C ATOM 0 H ILE A 78 -3.832 0.225 -1.636 1.00 60.14 H new ATOM 0 HA ILE A 78 -3.063 2.499 -3.304 1.00 14.24 H new ATOM 0 HB ILE A 78 -1.496 0.541 -1.559 1.00 71.13 H new ATOM 0 HG12 ILE A 78 -2.882 2.061 -0.251 1.00 33.01 H new ATOM 0 HG13 ILE A 78 -1.186 2.454 -0.048 1.00 33.01 H new ATOM 0 HG21 ILE A 78 0.445 2.028 -1.884 1.00 3.11 H new ATOM 0 HG22 ILE A 78 -0.094 1.294 -3.413 1.00 3.11 H new ATOM 0 HG23 ILE A 78 -0.494 2.990 -3.050 1.00 3.11 H new ATOM 0 HD11 ILE A 78 -2.536 4.482 -0.264 1.00 64.24 H new ATOM 0 HD12 ILE A 78 -1.417 4.330 -1.639 1.00 64.24 H new ATOM 0 HD13 ILE A 78 -3.139 3.931 -1.845 1.00 64.24 H new ATOM 1253 N ALA A 79 -2.059 1.318 -5.293 1.00 2.55 N ATOM 1254 CA ALA A 79 -1.634 0.626 -6.521 1.00 41.14 C ATOM 1255 C ALA A 79 -0.103 0.478 -6.597 1.00 35.52 C ATOM 1256 O ALA A 79 0.628 1.470 -6.612 1.00 40.41 O ATOM 1257 CB ALA A 79 -2.157 1.374 -7.743 1.00 50.04 C ATOM 0 H ALA A 79 -2.076 2.335 -5.369 1.00 2.55 H new ATOM 0 HA ALA A 79 -2.056 -0.379 -6.502 1.00 41.14 H new ATOM 0 HB1 ALA A 79 -1.840 0.858 -8.649 1.00 50.04 H new ATOM 0 HB2 ALA A 79 -3.246 1.411 -7.709 1.00 50.04 H new ATOM 0 HB3 ALA A 79 -1.760 2.389 -7.746 1.00 50.04 H new ATOM 1263 N THR A 80 0.373 -0.771 -6.676 1.00 52.12 N ATOM 1264 CA THR A 80 1.820 -1.061 -6.725 1.00 35.21 C ATOM 1265 C THR A 80 2.510 -0.458 -7.960 1.00 44.52 C ATOM 1266 O THR A 80 3.729 -0.307 -7.980 1.00 61.12 O ATOM 1267 CB THR A 80 2.108 -2.582 -6.699 1.00 44.40 C ATOM 1268 OG1 THR A 80 1.400 -3.244 -7.759 1.00 73.30 O ATOM 1269 CG2 THR A 80 1.712 -3.195 -5.358 1.00 1.32 C ATOM 0 H THR A 80 -0.220 -1.601 -6.708 1.00 52.12 H new ATOM 0 HA THR A 80 2.230 -0.593 -5.830 1.00 35.21 H new ATOM 0 HB THR A 80 3.180 -2.719 -6.840 1.00 44.40 H new ATOM 0 HG1 THR A 80 0.436 -3.120 -7.636 1.00 73.30 H new ATOM 0 HG21 THR A 80 1.926 -4.264 -5.369 1.00 1.32 H new ATOM 0 HG22 THR A 80 2.280 -2.720 -4.559 1.00 1.32 H new ATOM 0 HG23 THR A 80 0.647 -3.040 -5.187 1.00 1.32 H new ATOM 1277 N ILE A 81 1.732 -0.111 -8.984 1.00 72.23 N ATOM 1278 CA ILE A 81 2.282 0.519 -10.193 1.00 12.02 C ATOM 1279 C ILE A 81 2.961 1.867 -9.869 1.00 74.34 C ATOM 1280 O ILE A 81 3.880 2.298 -10.567 1.00 72.51 O ATOM 1281 CB ILE A 81 1.175 0.729 -11.265 1.00 1.45 C ATOM 1282 CG1 ILE A 81 1.768 1.271 -12.582 1.00 51.41 C ATOM 1283 CG2 ILE A 81 0.085 1.665 -10.741 1.00 1.32 C ATOM 1284 CD1 ILE A 81 2.756 0.329 -13.243 1.00 70.25 C ATOM 0 H ILE A 81 0.722 -0.253 -9.005 1.00 72.23 H new ATOM 0 HA ILE A 81 3.037 -0.158 -10.594 1.00 12.02 H new ATOM 0 HB ILE A 81 0.726 -0.242 -11.474 1.00 1.45 H new ATOM 0 HG12 ILE A 81 0.955 1.476 -13.278 1.00 51.41 H new ATOM 0 HG13 ILE A 81 2.264 2.221 -12.382 1.00 51.41 H new ATOM 0 HG21 ILE A 81 -0.679 1.798 -11.507 1.00 1.32 H new ATOM 0 HG22 ILE A 81 -0.367 1.233 -9.848 1.00 1.32 H new ATOM 0 HG23 ILE A 81 0.523 2.632 -10.494 1.00 1.32 H new ATOM 0 HD11 ILE A 81 3.129 0.780 -14.163 1.00 70.25 H new ATOM 0 HD12 ILE A 81 3.590 0.143 -12.566 1.00 70.25 H new ATOM 0 HD13 ILE A 81 2.260 -0.613 -13.476 1.00 70.25 H new ATOM 1296 N GLN A 82 2.508 2.517 -8.795 1.00 25.30 N ATOM 1297 CA GLN A 82 3.095 3.785 -8.337 1.00 34.53 C ATOM 1298 C GLN A 82 4.327 3.550 -7.442 1.00 72.55 C ATOM 1299 O GLN A 82 5.014 4.496 -7.054 1.00 40.10 O ATOM 1300 CB GLN A 82 2.046 4.604 -7.567 1.00 4.12 C ATOM 1301 CG GLN A 82 0.887 5.115 -8.423 1.00 71.03 C ATOM 1302 CD GLN A 82 1.323 6.156 -9.448 1.00 43.43 C ATOM 1303 OE1 GLN A 82 1.661 5.835 -10.581 1.00 34.14 O ATOM 1304 NE2 GLN A 82 1.337 7.413 -9.046 1.00 43.24 N ATOM 0 H GLN A 82 1.732 2.186 -8.221 1.00 25.30 H new ATOM 0 HA GLN A 82 3.418 4.337 -9.219 1.00 34.53 H new ATOM 0 HB2 GLN A 82 1.643 3.989 -6.762 1.00 4.12 H new ATOM 0 HB3 GLN A 82 2.540 5.456 -7.101 1.00 4.12 H new ATOM 0 HG2 GLN A 82 0.425 4.274 -8.940 1.00 71.03 H new ATOM 0 HG3 GLN A 82 0.125 5.548 -7.774 1.00 71.03 H new ATOM 0 HE21 GLN A 82 1.050 7.648 -8.096 1.00 43.24 H new ATOM 0 HE22 GLN A 82 1.635 8.150 -9.685 1.00 43.24 H new ATOM 1313 N ILE A 83 4.602 2.287 -7.116 1.00 25.22 N ATOM 1314 CA ILE A 83 5.725 1.936 -6.242 1.00 71.25 C ATOM 1315 C ILE A 83 7.011 1.708 -7.055 1.00 54.23 C ATOM 1316 O ILE A 83 7.314 0.587 -7.464 1.00 45.54 O ATOM 1317 CB ILE A 83 5.419 0.665 -5.398 1.00 33.13 C ATOM 1318 CG1 ILE A 83 4.061 0.796 -4.682 1.00 35.14 C ATOM 1319 CG2 ILE A 83 6.538 0.402 -4.385 1.00 42.23 C ATOM 1320 CD1 ILE A 83 3.974 1.962 -3.723 1.00 21.43 C ATOM 0 H ILE A 83 4.062 1.487 -7.444 1.00 25.22 H new ATOM 0 HA ILE A 83 5.872 2.778 -5.566 1.00 71.25 H new ATOM 0 HB ILE A 83 5.366 -0.186 -6.078 1.00 33.13 H new ATOM 0 HG12 ILE A 83 3.276 0.898 -5.432 1.00 35.14 H new ATOM 0 HG13 ILE A 83 3.861 -0.125 -4.135 1.00 35.14 H new ATOM 0 HG21 ILE A 83 6.302 -0.491 -3.806 1.00 42.23 H new ATOM 0 HG22 ILE A 83 7.480 0.254 -4.913 1.00 42.23 H new ATOM 0 HG23 ILE A 83 6.629 1.256 -3.713 1.00 42.23 H new ATOM 0 HD11 ILE A 83 2.986 1.981 -3.262 1.00 21.43 H new ATOM 0 HD12 ILE A 83 4.734 1.854 -2.949 1.00 21.43 H new ATOM 0 HD13 ILE A 83 4.139 2.893 -4.266 1.00 21.43 H new ATOM 1332 N ALA A 84 7.765 2.779 -7.289 1.00 1.31 N ATOM 1333 CA ALA A 84 9.023 2.699 -8.052 1.00 32.01 C ATOM 1334 C ALA A 84 10.062 1.787 -7.371 1.00 33.22 C ATOM 1335 O ALA A 84 11.073 1.412 -7.974 1.00 4.31 O ATOM 1336 CB ALA A 84 9.594 4.100 -8.253 1.00 70.30 C ATOM 0 H ALA A 84 7.532 3.717 -6.964 1.00 1.31 H new ATOM 0 HA ALA A 84 8.795 2.254 -9.021 1.00 32.01 H new ATOM 0 HB1 ALA A 84 10.524 4.036 -8.818 1.00 70.30 H new ATOM 0 HB2 ALA A 84 8.877 4.710 -8.803 1.00 70.30 H new ATOM 0 HB3 ALA A 84 9.789 4.556 -7.282 1.00 70.30 H new ATOM 1342 N ASN A 85 9.800 1.433 -6.115 1.00 31.51 N ATOM 1343 CA ASN A 85 10.709 0.594 -5.326 1.00 2.11 C ATOM 1344 C ASN A 85 10.326 -0.897 -5.394 1.00 21.51 C ATOM 1345 O ASN A 85 10.981 -1.742 -4.778 1.00 30.54 O ATOM 1346 CB ASN A 85 10.701 1.073 -3.871 1.00 33.32 C ATOM 1347 CG ASN A 85 11.141 2.522 -3.751 1.00 21.33 C ATOM 1348 OD1 ASN A 85 11.985 2.991 -4.506 1.00 52.01 O ATOM 1349 ND2 ASN A 85 10.562 3.245 -2.816 1.00 45.14 N ATOM 0 H ASN A 85 8.957 1.716 -5.615 1.00 31.51 H new ATOM 0 HA ASN A 85 11.710 0.689 -5.748 1.00 2.11 H new ATOM 0 HB2 ASN A 85 9.699 0.962 -3.458 1.00 33.32 H new ATOM 0 HB3 ASN A 85 11.362 0.442 -3.277 1.00 33.32 H new ATOM 0 HD21 ASN A 85 10.812 4.227 -2.703 1.00 45.14 H new ATOM 0 HD22 ASN A 85 9.863 2.823 -2.204 1.00 45.14 H new ATOM 1356 N PHE A 86 9.267 -1.217 -6.140 1.00 44.55 N ATOM 1357 CA PHE A 86 8.818 -2.606 -6.294 1.00 32.32 C ATOM 1358 C PHE A 86 9.815 -3.408 -7.166 1.00 13.54 C ATOM 1359 O PHE A 86 10.080 -3.039 -8.315 1.00 63.22 O ATOM 1360 CB PHE A 86 7.410 -2.631 -6.915 1.00 52.02 C ATOM 1361 CG PHE A 86 6.573 -3.806 -6.475 1.00 3.24 C ATOM 1362 CD1 PHE A 86 6.032 -3.837 -5.199 1.00 41.31 C ATOM 1363 CD2 PHE A 86 6.324 -4.871 -7.330 1.00 2.22 C ATOM 1364 CE1 PHE A 86 5.264 -4.905 -4.782 1.00 41.12 C ATOM 1365 CE2 PHE A 86 5.555 -5.944 -6.916 1.00 12.45 C ATOM 1366 CZ PHE A 86 5.024 -5.962 -5.641 1.00 63.24 C ATOM 0 H PHE A 86 8.703 -0.535 -6.648 1.00 44.55 H new ATOM 0 HA PHE A 86 8.778 -3.076 -5.311 1.00 32.32 H new ATOM 0 HB2 PHE A 86 6.891 -1.709 -6.654 1.00 52.02 H new ATOM 0 HB3 PHE A 86 7.502 -2.648 -8.001 1.00 52.02 H new ATOM 0 HD1 PHE A 86 6.214 -3.015 -4.523 1.00 41.31 H new ATOM 0 HD2 PHE A 86 6.735 -4.862 -8.329 1.00 2.22 H new ATOM 0 HE1 PHE A 86 4.850 -4.915 -3.784 1.00 41.12 H new ATOM 0 HE2 PHE A 86 5.370 -6.768 -7.590 1.00 12.45 H new ATOM 0 HZ PHE A 86 4.423 -6.799 -5.316 1.00 63.24 H new ATOM 1376 N PRO A 87 10.389 -4.505 -6.631 1.00 71.52 N ATOM 1377 CA PRO A 87 11.443 -5.269 -7.323 1.00 72.35 C ATOM 1378 C PRO A 87 10.924 -6.251 -8.396 1.00 55.55 C ATOM 1379 O PRO A 87 9.997 -7.030 -8.161 1.00 13.13 O ATOM 1380 CB PRO A 87 12.110 -6.030 -6.172 1.00 45.51 C ATOM 1381 CG PRO A 87 11.004 -6.270 -5.196 1.00 32.30 C ATOM 1382 CD PRO A 87 10.073 -5.084 -5.308 1.00 3.44 C ATOM 0 HA PRO A 87 12.103 -4.610 -7.887 1.00 72.35 H new ATOM 0 HB2 PRO A 87 12.547 -6.967 -6.516 1.00 45.51 H new ATOM 0 HB3 PRO A 87 12.916 -5.448 -5.725 1.00 45.51 H new ATOM 0 HG2 PRO A 87 10.480 -7.198 -5.423 1.00 32.30 H new ATOM 0 HG3 PRO A 87 11.394 -6.364 -4.182 1.00 32.30 H new ATOM 0 HD2 PRO A 87 9.028 -5.389 -5.245 1.00 3.44 H new ATOM 0 HD3 PRO A 87 10.244 -4.365 -4.507 1.00 3.44 H new ATOM 1390 N ASP A 88 11.535 -6.190 -9.579 1.00 61.31 N ATOM 1391 CA ASP A 88 11.282 -7.153 -10.660 1.00 52.10 C ATOM 1392 C ASP A 88 12.519 -7.206 -11.592 1.00 14.11 C ATOM 1393 O ASP A 88 13.642 -6.951 -11.144 1.00 52.43 O ATOM 1394 CB ASP A 88 10.004 -6.759 -11.428 1.00 20.14 C ATOM 1395 CG ASP A 88 9.398 -7.927 -12.194 1.00 31.13 C ATOM 1396 OD1 ASP A 88 8.796 -8.812 -11.553 1.00 72.31 O ATOM 1397 OD2 ASP A 88 9.546 -7.989 -13.434 1.00 72.42 O ATOM 0 H ASP A 88 12.220 -5.473 -9.819 1.00 61.31 H new ATOM 0 HA ASP A 88 11.121 -8.149 -10.247 1.00 52.10 H new ATOM 0 HB2 ASP A 88 9.268 -6.369 -10.725 1.00 20.14 H new ATOM 0 HB3 ASP A 88 10.237 -5.954 -12.125 1.00 20.14 H new ATOM 1402 N LYS A 89 12.330 -7.550 -12.867 1.00 12.14 N ATOM 1403 CA LYS A 89 13.431 -7.560 -13.840 1.00 61.02 C ATOM 1404 C LYS A 89 13.932 -6.136 -14.151 1.00 13.11 C ATOM 1405 O LYS A 89 13.465 -5.156 -13.568 1.00 14.51 O ATOM 1406 CB LYS A 89 12.985 -8.264 -15.130 1.00 32.20 C ATOM 1407 CG LYS A 89 11.713 -7.681 -15.738 1.00 4.23 C ATOM 1408 CD LYS A 89 11.198 -8.525 -16.900 1.00 42.43 C ATOM 1409 CE LYS A 89 9.789 -8.112 -17.309 1.00 73.45 C ATOM 1410 NZ LYS A 89 8.810 -8.322 -16.206 1.00 25.55 N ATOM 0 H LYS A 89 11.427 -7.826 -13.253 1.00 12.14 H new ATOM 0 HA LYS A 89 14.262 -8.109 -13.398 1.00 61.02 H new ATOM 0 HB2 LYS A 89 13.789 -8.203 -15.864 1.00 32.20 H new ATOM 0 HB3 LYS A 89 12.825 -9.322 -14.920 1.00 32.20 H new ATOM 0 HG2 LYS A 89 10.942 -7.612 -14.970 1.00 4.23 H new ATOM 0 HG3 LYS A 89 11.909 -6.666 -16.085 1.00 4.23 H new ATOM 0 HD2 LYS A 89 11.870 -8.422 -17.752 1.00 42.43 H new ATOM 0 HD3 LYS A 89 11.202 -9.577 -16.616 1.00 42.43 H new ATOM 0 HE2 LYS A 89 9.788 -7.062 -17.601 1.00 73.45 H new ATOM 0 HE3 LYS A 89 9.481 -8.686 -18.183 1.00 73.45 H new ATOM 0 HZ1 LYS A 89 8.103 -9.026 -16.499 1.00 25.55 H new ATOM 0 HZ2 LYS A 89 9.309 -8.664 -15.360 1.00 25.55 H new ATOM 0 HZ3 LYS A 89 8.334 -7.423 -15.988 1.00 25.55 H new ATOM 1424 N LEU A 90 14.881 -6.029 -15.078 1.00 13.22 N ATOM 1425 CA LEU A 90 15.520 -4.744 -15.403 1.00 30.12 C ATOM 1426 C LEU A 90 14.623 -3.831 -16.269 1.00 53.51 C ATOM 1427 O LEU A 90 15.097 -3.211 -17.224 1.00 5.54 O ATOM 1428 CB LEU A 90 16.849 -5.002 -16.125 1.00 13.42 C ATOM 1429 CG LEU A 90 17.879 -5.821 -15.329 1.00 13.50 C ATOM 1430 CD1 LEU A 90 19.140 -6.047 -16.155 1.00 65.40 C ATOM 1431 CD2 LEU A 90 18.215 -5.134 -14.005 1.00 73.12 C ATOM 0 H LEU A 90 15.230 -6.818 -15.623 1.00 13.22 H new ATOM 0 HA LEU A 90 15.692 -4.221 -14.462 1.00 30.12 H new ATOM 0 HB2 LEU A 90 16.641 -5.521 -17.061 1.00 13.42 H new ATOM 0 HB3 LEU A 90 17.295 -4.042 -16.385 1.00 13.42 H new ATOM 0 HG LEU A 90 17.439 -6.793 -15.103 1.00 13.50 H new ATOM 0 HD11 LEU A 90 19.856 -6.628 -15.574 1.00 65.40 H new ATOM 0 HD12 LEU A 90 18.886 -6.589 -17.066 1.00 65.40 H new ATOM 0 HD13 LEU A 90 19.581 -5.085 -16.417 1.00 65.40 H new ATOM 0 HD21 LEU A 90 18.945 -5.732 -13.460 1.00 73.12 H new ATOM 0 HD22 LEU A 90 18.630 -4.146 -14.203 1.00 73.12 H new ATOM 0 HD23 LEU A 90 17.309 -5.034 -13.407 1.00 73.12 H new ATOM 1443 N GLU A 91 13.345 -3.720 -15.914 1.00 25.03 N ATOM 1444 CA GLU A 91 12.413 -2.863 -16.657 1.00 23.23 C ATOM 1445 C GLU A 91 12.545 -1.391 -16.231 1.00 54.05 C ATOM 1446 O GLU A 91 12.216 -1.024 -15.099 1.00 14.12 O ATOM 1447 CB GLU A 91 10.963 -3.329 -16.442 1.00 24.12 C ATOM 1448 CG GLU A 91 9.933 -2.508 -17.217 1.00 3.32 C ATOM 1449 CD GLU A 91 8.498 -2.862 -16.857 1.00 22.32 C ATOM 1450 OE1 GLU A 91 7.950 -2.252 -15.916 1.00 64.44 O ATOM 1451 OE2 GLU A 91 7.912 -3.750 -17.509 1.00 35.33 O ATOM 0 H GLU A 91 12.929 -4.208 -15.121 1.00 25.03 H new ATOM 0 HA GLU A 91 12.667 -2.944 -17.714 1.00 23.23 H new ATOM 0 HB2 GLU A 91 10.879 -4.375 -16.739 1.00 24.12 H new ATOM 0 HB3 GLU A 91 10.729 -3.279 -15.379 1.00 24.12 H new ATOM 0 HG2 GLU A 91 10.100 -1.449 -17.022 1.00 3.32 H new ATOM 0 HG3 GLU A 91 10.083 -2.663 -18.286 1.00 3.32 H new ATOM 1458 N HIS A 92 13.027 -0.549 -17.142 1.00 2.25 N ATOM 1459 CA HIS A 92 13.152 0.893 -16.890 1.00 60.21 C ATOM 1460 C HIS A 92 12.181 1.697 -17.771 1.00 31.24 C ATOM 1461 O HIS A 92 12.567 2.229 -18.812 1.00 51.11 O ATOM 1462 CB HIS A 92 14.596 1.360 -17.131 1.00 30.05 C ATOM 1463 CG HIS A 92 15.578 0.820 -16.135 1.00 22.40 C ATOM 1464 ND1 HIS A 92 16.176 1.599 -15.170 1.00 53.10 N ATOM 1465 CD2 HIS A 92 16.060 -0.430 -15.952 1.00 74.22 C ATOM 1466 CE1 HIS A 92 16.983 0.855 -14.442 1.00 34.33 C ATOM 1467 NE2 HIS A 92 16.932 -0.381 -14.891 1.00 70.54 N ATOM 0 H HIS A 92 13.340 -0.839 -18.068 1.00 2.25 H new ATOM 0 HA HIS A 92 12.893 1.072 -15.846 1.00 60.21 H new ATOM 0 HB2 HIS A 92 14.904 1.058 -18.132 1.00 30.05 H new ATOM 0 HB3 HIS A 92 14.626 2.449 -17.103 1.00 30.05 H new ATOM 0 HD2 HIS A 92 15.807 -1.305 -16.532 1.00 74.22 H new ATOM 0 HE1 HIS A 92 17.586 1.201 -13.615 1.00 34.33 H new ATOM 0 HE2 HIS A 92 17.454 -1.172 -14.514 1.00 70.54 H new ATOM 1476 N HIS A 93 10.915 1.768 -17.355 1.00 14.14 N ATOM 1477 CA HIS A 93 9.892 2.504 -18.115 1.00 14.32 C ATOM 1478 C HIS A 93 9.755 3.955 -17.623 1.00 25.23 C ATOM 1479 O HIS A 93 8.939 4.720 -18.139 1.00 50.13 O ATOM 1480 CB HIS A 93 8.533 1.783 -18.033 1.00 3.20 C ATOM 1481 CG HIS A 93 7.949 1.694 -16.647 1.00 71.11 C ATOM 1482 ND1 HIS A 93 7.869 0.517 -15.933 1.00 1.23 N ATOM 1483 CD2 HIS A 93 7.384 2.640 -15.855 1.00 42.41 C ATOM 1484 CE1 HIS A 93 7.287 0.740 -14.774 1.00 52.21 C ATOM 1485 NE2 HIS A 93 6.984 2.020 -14.698 1.00 12.31 N ATOM 0 H HIS A 93 10.571 1.329 -16.501 1.00 14.14 H new ATOM 0 HA HIS A 93 10.215 2.533 -19.156 1.00 14.32 H new ATOM 0 HB2 HIS A 93 7.823 2.300 -18.679 1.00 3.20 H new ATOM 0 HB3 HIS A 93 8.648 0.774 -18.429 1.00 3.20 H new ATOM 0 HD1 HIS A 93 8.209 -0.389 -16.255 1.00 1.23 H new ATOM 0 HD2 HIS A 93 7.270 3.688 -16.092 1.00 42.41 H new ATOM 0 HE1 HIS A 93 7.091 -0.001 -14.013 1.00 52.21 H new ATOM 1494 N HIS A 94 10.546 4.322 -16.616 1.00 2.53 N ATOM 1495 CA HIS A 94 10.498 5.669 -16.045 1.00 72.10 C ATOM 1496 C HIS A 94 11.868 6.075 -15.491 1.00 14.42 C ATOM 1497 O HIS A 94 12.432 5.382 -14.644 1.00 32.22 O ATOM 1498 CB HIS A 94 9.442 5.733 -14.930 1.00 52.03 C ATOM 1499 CG HIS A 94 9.189 7.117 -14.415 1.00 12.40 C ATOM 1500 ND1 HIS A 94 8.331 8.001 -15.030 1.00 65.52 N ATOM 1501 CD2 HIS A 94 9.678 7.769 -13.331 1.00 71.42 C ATOM 1502 CE1 HIS A 94 8.307 9.132 -14.355 1.00 12.43 C ATOM 1503 NE2 HIS A 94 9.112 9.018 -13.319 1.00 41.22 N ATOM 0 H HIS A 94 11.229 3.705 -16.177 1.00 2.53 H new ATOM 0 HA HIS A 94 10.226 6.366 -16.837 1.00 72.10 H new ATOM 0 HB2 HIS A 94 8.506 5.318 -15.305 1.00 52.03 H new ATOM 0 HB3 HIS A 94 9.762 5.100 -14.102 1.00 52.03 H new ATOM 0 HD2 HIS A 94 10.382 7.378 -12.611 1.00 71.42 H new ATOM 0 HE1 HIS A 94 7.725 10.006 -14.609 1.00 12.43 H new ATOM 0 HE2 HIS A 94 9.286 9.741 -12.621 1.00 41.22 H new ATOM 1512 N HIS A 95 12.396 7.202 -15.962 1.00 60.43 N ATOM 1513 CA HIS A 95 13.691 7.697 -15.490 1.00 71.43 C ATOM 1514 C HIS A 95 13.552 8.393 -14.128 1.00 13.35 C ATOM 1515 O HIS A 95 12.594 9.130 -13.889 1.00 73.30 O ATOM 1516 CB HIS A 95 14.306 8.668 -16.505 1.00 3.24 C ATOM 1517 CG HIS A 95 14.551 8.060 -17.851 1.00 60.21 C ATOM 1518 ND1 HIS A 95 15.582 7.182 -18.105 1.00 62.11 N ATOM 1519 CD2 HIS A 95 13.891 8.207 -19.023 1.00 33.34 C ATOM 1520 CE1 HIS A 95 15.545 6.816 -19.369 1.00 15.42 C ATOM 1521 NE2 HIS A 95 14.531 7.421 -19.948 1.00 4.20 N ATOM 0 H HIS A 95 11.951 7.789 -16.667 1.00 60.43 H new ATOM 0 HA HIS A 95 14.351 6.836 -15.378 1.00 71.43 H new ATOM 0 HB2 HIS A 95 13.644 9.527 -16.619 1.00 3.24 H new ATOM 0 HB3 HIS A 95 15.250 9.043 -16.109 1.00 3.24 H new ATOM 0 HD2 HIS A 95 13.024 8.826 -19.198 1.00 33.34 H new ATOM 0 HE1 HIS A 95 16.231 6.134 -19.849 1.00 15.42 H new ATOM 0 HE2 HIS A 95 14.263 7.322 -20.927 1.00 4.20 H new ATOM 1530 N HIS A 96 14.511 8.148 -13.246 1.00 24.21 N ATOM 1531 CA HIS A 96 14.524 8.745 -11.908 1.00 33.13 C ATOM 1532 C HIS A 96 15.915 8.612 -11.271 1.00 4.24 C ATOM 1533 O HIS A 96 16.526 7.545 -11.321 1.00 1.43 O ATOM 1534 CB HIS A 96 13.436 8.120 -11.011 1.00 23.24 C ATOM 1535 CG HIS A 96 13.442 6.619 -10.945 1.00 25.41 C ATOM 1536 ND1 HIS A 96 12.565 5.908 -10.158 1.00 44.01 N ATOM 1537 CD2 HIS A 96 14.207 5.694 -11.571 1.00 72.40 C ATOM 1538 CE1 HIS A 96 12.786 4.618 -10.303 1.00 10.30 C ATOM 1539 NE2 HIS A 96 13.779 4.459 -11.154 1.00 41.24 N ATOM 0 H HIS A 96 15.302 7.532 -13.432 1.00 24.21 H new ATOM 0 HA HIS A 96 14.298 9.807 -12.006 1.00 33.13 H new ATOM 0 HB2 HIS A 96 13.552 8.512 -10.001 1.00 23.24 H new ATOM 0 HB3 HIS A 96 12.460 8.448 -11.370 1.00 23.24 H new ATOM 0 HD2 HIS A 96 15.007 5.892 -12.270 1.00 72.40 H new ATOM 0 HE1 HIS A 96 12.245 3.825 -9.808 1.00 10.30 H new ATOM 0 HE2 HIS A 96 14.166 3.564 -11.454 1.00 41.24 H new ATOM 1548 N HIS A 97 16.394 9.702 -10.673 1.00 74.12 N ATOM 1549 CA HIS A 97 17.773 9.792 -10.158 1.00 15.12 C ATOM 1550 C HIS A 97 18.802 9.730 -11.311 1.00 30.14 C ATOM 1551 O HIS A 97 18.921 10.732 -12.054 1.00 37.69 O ATOM 1552 CB HIS A 97 18.051 8.691 -9.119 1.00 40.51 C ATOM 1553 CG HIS A 97 17.110 8.704 -7.953 1.00 42.10 C ATOM 1554 ND1 HIS A 97 16.448 7.581 -7.506 1.00 11.23 N ATOM 1555 CD2 HIS A 97 16.721 9.711 -7.134 1.00 13.24 C ATOM 1556 CE1 HIS A 97 15.697 7.893 -6.472 1.00 24.04 C ATOM 1557 NE2 HIS A 97 15.844 9.177 -6.225 1.00 11.44 N ATOM 1558 OXT HIS A 97 19.478 8.687 -11.477 1.00 37.69 O ATOM 0 H HIS A 97 15.844 10.549 -10.529 1.00 74.12 H new ATOM 0 HA HIS A 97 17.878 10.757 -9.662 1.00 15.12 H new ATOM 0 HB2 HIS A 97 17.993 7.719 -9.609 1.00 40.51 H new ATOM 0 HB3 HIS A 97 19.071 8.802 -8.751 1.00 40.51 H new ATOM 0 HD2 HIS A 97 17.042 10.741 -7.187 1.00 13.24 H new ATOM 0 HE1 HIS A 97 15.067 7.211 -5.920 1.00 24.04 H new ATOM 0 HE2 HIS A 97 15.380 9.693 -5.477 1.00 11.44 H new TER 1567 HIS A 97