USER MOD reduce.3.24.130724 H: found=0, std=0, add=789, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 789 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 9 GLN : amide:sc= -1.83! C(o=-2.4!,f=-5.8!) USER MOD Set 1.2: A 51 THR OG1 : rot 180:sc= -0.552 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 142:sc= 0.737 (180deg=0.157!) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= -0.0951 USER MOD Single : A 10 GLN : amide:sc= -0.677 X(o=-0.68,f=-0.63) USER MOD Single : A 17 GLN : amide:sc= -4.23! K(o=-4.2!,f=-2) USER MOD Single : A 22 GLN : amide:sc= 0.404 X(o=0.4,f=-0.067) USER MOD Single : A 23 SER OG : rot -112:sc= -0.185 USER MOD Single : A 24 ASN : amide:sc= -2.01 K(o=-2,f=-0.28) USER MOD Single : A 27 ASN : amide:sc= 0.183 K(o=0.18,f=-4.9!) USER MOD Single : A 28 MET CE :methyl 164:sc= -0.0702 (180deg=-0.431) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot -79:sc= 0.482 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -168:sc= 0.735 (180deg=0.537) USER MOD Single : A 55 LYS NZ :NH3+ 166:sc=-0.00947 (180deg=-0.194) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 62 LYS NZ :NH3+ -165:sc= -0.0384 (180deg=-0.246) USER MOD Single : A 63 LYS NZ :NH3+ 141:sc= -2.84! (180deg=-4.19!) USER MOD Single : A 64 THR OG1 : rot -140:sc= -0.173 USER MOD Single : A 65 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.195) USER MOD Single : A 66 ASN : amide:sc= -0.705 K(o=-0.71,f=-6.8!) USER MOD Single : A 71 LYS NZ :NH3+ -152:sc= 0.874 (180deg=-0.49!) USER MOD Single : A 74 LYS NZ :NH3+ 137:sc= -1.31 (180deg=-3.88!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 64:sc= 0.74 USER MOD Single : A 81 GLN : amide:sc= -0.214 X(o=-0.21,f=-0.11) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= -1.03 (180deg=-1.03) USER MOD Single : A 88 HIS : no HE2:sc= -0.291 K(o=-0.29,f=-2.2!) USER MOD Single : A 89 GLN : amide:sc= -0.546 X(o=-0.55,f=-0.36) USER MOD Single : A 90 HIS : no HE2:sc= -0.52 X(o=-0.52,f=-0.96) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.024 0.527 -1.757 1.00 51.53 N ATOM 2 CA MET A 1 5.014 -0.817 -1.117 1.00 31.23 C ATOM 3 C MET A 1 5.583 -1.890 -2.057 1.00 73.25 C ATOM 4 O MET A 1 4.883 -2.388 -2.940 1.00 30.11 O ATOM 5 CB MET A 1 3.587 -1.206 -0.696 1.00 12.32 C ATOM 6 CG MET A 1 2.952 -0.255 0.308 1.00 10.20 C ATOM 7 SD MET A 1 2.705 1.401 -0.364 1.00 41.32 S ATOM 8 CE MET A 1 1.980 2.236 1.049 1.00 33.10 C ATOM 0 H1 MET A 1 4.164 1.046 -1.488 1.00 51.53 H new ATOM 0 H2 MET A 1 5.861 1.056 -1.440 1.00 51.53 H new ATOM 0 H3 MET A 1 5.054 0.419 -2.791 1.00 51.53 H new ATOM 0 HA MET A 1 5.648 -0.761 -0.232 1.00 31.23 H new ATOM 0 HB2 MET A 1 2.958 -1.251 -1.585 1.00 12.32 H new ATOM 0 HB3 MET A 1 3.607 -2.208 -0.268 1.00 12.32 H new ATOM 0 HG2 MET A 1 1.992 -0.660 0.629 1.00 10.20 H new ATOM 0 HG3 MET A 1 3.584 -0.193 1.194 1.00 10.20 H new ATOM 0 HE1 MET A 1 1.770 3.274 0.790 1.00 33.10 H new ATOM 0 HE2 MET A 1 1.053 1.737 1.330 1.00 33.10 H new ATOM 0 HE3 MET A 1 2.677 2.205 1.887 1.00 33.10 H new ATOM 20 N THR A 2 6.858 -2.231 -1.878 1.00 62.44 N ATOM 21 CA THR A 2 7.487 -3.303 -2.664 1.00 34.05 C ATOM 22 C THR A 2 7.219 -4.676 -2.037 1.00 50.11 C ATOM 23 O THR A 2 7.133 -5.686 -2.736 1.00 31.10 O ATOM 24 CB THR A 2 9.020 -3.110 -2.786 1.00 15.42 C ATOM 25 OG1 THR A 2 9.635 -3.179 -1.488 1.00 73.31 O ATOM 26 CG2 THR A 2 9.357 -1.773 -3.442 1.00 75.21 C ATOM 0 H THR A 2 7.477 -1.786 -1.200 1.00 62.44 H new ATOM 0 HA THR A 2 7.043 -3.255 -3.658 1.00 34.05 H new ATOM 0 HB THR A 2 9.408 -3.911 -3.415 1.00 15.42 H new ATOM 0 HG1 THR A 2 10.603 -3.057 -1.578 1.00 73.31 H new ATOM 0 HG21 THR A 2 10.439 -1.666 -3.514 1.00 75.21 H new ATOM 0 HG22 THR A 2 8.922 -1.738 -4.441 1.00 75.21 H new ATOM 0 HG23 THR A 2 8.951 -0.960 -2.840 1.00 75.21 H new ATOM 34 N ALA A 3 7.084 -4.703 -0.715 1.00 43.13 N ATOM 35 CA ALA A 3 6.838 -5.949 0.020 1.00 45.04 C ATOM 36 C ALA A 3 6.144 -5.689 1.367 1.00 30.11 C ATOM 37 O ALA A 3 5.952 -4.539 1.771 1.00 14.53 O ATOM 38 CB ALA A 3 8.152 -6.691 0.238 1.00 51.03 C ATOM 0 H ALA A 3 7.140 -3.874 -0.124 1.00 43.13 H new ATOM 0 HA ALA A 3 6.168 -6.565 -0.580 1.00 45.04 H new ATOM 0 HB1 ALA A 3 7.962 -7.615 0.784 1.00 51.03 H new ATOM 0 HB2 ALA A 3 8.602 -6.926 -0.727 1.00 51.03 H new ATOM 0 HB3 ALA A 3 8.833 -6.063 0.813 1.00 51.03 H new ATOM 44 N ALA A 4 5.770 -6.765 2.057 1.00 12.44 N ATOM 45 CA ALA A 4 5.127 -6.659 3.371 1.00 0.25 C ATOM 46 C ALA A 4 6.122 -6.192 4.453 1.00 54.43 C ATOM 47 O ALA A 4 7.324 -6.438 4.348 1.00 60.34 O ATOM 48 CB ALA A 4 4.504 -7.998 3.758 1.00 13.14 C ATOM 0 H ALA A 4 5.900 -7.722 1.730 1.00 12.44 H new ATOM 0 HA ALA A 4 4.341 -5.907 3.302 1.00 0.25 H new ATOM 0 HB1 ALA A 4 4.029 -7.909 4.735 1.00 13.14 H new ATOM 0 HB2 ALA A 4 3.757 -8.280 3.016 1.00 13.14 H new ATOM 0 HB3 ALA A 4 5.280 -8.762 3.800 1.00 13.14 H new ATOM 54 N PRO A 5 5.635 -5.510 5.512 1.00 42.14 N ATOM 55 CA PRO A 5 6.501 -5.011 6.598 1.00 40.54 C ATOM 56 C PRO A 5 7.321 -6.130 7.273 1.00 14.34 C ATOM 57 O PRO A 5 8.550 -6.107 7.232 1.00 71.04 O ATOM 58 CB PRO A 5 5.513 -4.365 7.588 1.00 71.53 C ATOM 59 CG PRO A 5 4.169 -4.904 7.213 1.00 11.44 C ATOM 60 CD PRO A 5 4.223 -5.159 5.732 1.00 71.34 C ATOM 0 HA PRO A 5 7.253 -4.315 6.226 1.00 40.54 H new ATOM 0 HB2 PRO A 5 5.765 -4.619 8.618 1.00 71.53 H new ATOM 0 HB3 PRO A 5 5.536 -3.278 7.513 1.00 71.53 H new ATOM 0 HG2 PRO A 5 3.950 -5.822 7.759 1.00 11.44 H new ATOM 0 HG3 PRO A 5 3.381 -4.192 7.458 1.00 11.44 H new ATOM 0 HD2 PRO A 5 3.555 -5.968 5.436 1.00 71.34 H new ATOM 0 HD3 PRO A 5 3.931 -4.279 5.159 1.00 71.34 H new ATOM 68 N ALA A 6 6.636 -7.101 7.890 1.00 43.03 N ATOM 69 CA ALA A 6 7.292 -8.256 8.537 1.00 50.52 C ATOM 70 C ALA A 6 8.186 -7.850 9.727 1.00 1.50 C ATOM 71 O ALA A 6 7.881 -8.162 10.879 1.00 53.25 O ATOM 72 CB ALA A 6 8.095 -9.061 7.515 1.00 15.41 C ATOM 0 H ALA A 6 5.618 -7.113 7.958 1.00 43.03 H new ATOM 0 HA ALA A 6 6.495 -8.881 8.941 1.00 50.52 H new ATOM 0 HB1 ALA A 6 8.571 -9.907 8.011 1.00 15.41 H new ATOM 0 HB2 ALA A 6 7.428 -9.426 6.734 1.00 15.41 H new ATOM 0 HB3 ALA A 6 8.860 -8.424 7.070 1.00 15.41 H new ATOM 78 N SER A 7 9.297 -7.172 9.442 1.00 24.13 N ATOM 79 CA SER A 7 10.220 -6.709 10.487 1.00 23.41 C ATOM 80 C SER A 7 9.572 -5.659 11.397 1.00 1.52 C ATOM 81 O SER A 7 8.933 -4.718 10.915 1.00 72.13 O ATOM 82 CB SER A 7 11.486 -6.110 9.862 1.00 33.35 C ATOM 83 OG SER A 7 12.294 -5.476 10.845 1.00 74.44 O ATOM 0 H SER A 7 9.584 -6.929 8.494 1.00 24.13 H new ATOM 0 HA SER A 7 10.478 -7.580 11.089 1.00 23.41 H new ATOM 0 HB2 SER A 7 12.058 -6.896 9.369 1.00 33.35 H new ATOM 0 HB3 SER A 7 11.209 -5.388 9.094 1.00 33.35 H new ATOM 0 HG SER A 7 13.095 -5.104 10.420 1.00 74.44 H new ATOM 89 N PRO A 8 9.751 -5.795 12.730 1.00 15.12 N ATOM 90 CA PRO A 8 9.220 -4.833 13.715 1.00 44.34 C ATOM 91 C PRO A 8 9.617 -3.379 13.405 1.00 53.32 C ATOM 92 O PRO A 8 8.905 -2.439 13.765 1.00 21.14 O ATOM 93 CB PRO A 8 9.851 -5.295 15.038 1.00 63.30 C ATOM 94 CG PRO A 8 10.117 -6.748 14.838 1.00 40.54 C ATOM 95 CD PRO A 8 10.478 -6.903 13.385 1.00 33.12 C ATOM 0 HA PRO A 8 8.130 -4.825 13.724 1.00 44.34 H new ATOM 0 HB2 PRO A 8 10.770 -4.749 15.251 1.00 63.30 H new ATOM 0 HB3 PRO A 8 9.178 -5.127 15.879 1.00 63.30 H new ATOM 0 HG2 PRO A 8 10.928 -7.089 15.481 1.00 40.54 H new ATOM 0 HG3 PRO A 8 9.240 -7.344 15.089 1.00 40.54 H new ATOM 0 HD2 PRO A 8 11.554 -6.826 13.228 1.00 33.12 H new ATOM 0 HD3 PRO A 8 10.168 -7.873 12.995 1.00 33.12 H new ATOM 103 N GLN A 9 10.752 -3.204 12.726 1.00 32.22 N ATOM 104 CA GLN A 9 11.248 -1.866 12.384 1.00 63.22 C ATOM 105 C GLN A 9 10.309 -1.179 11.381 1.00 73.51 C ATOM 106 O GLN A 9 9.938 -0.015 11.542 1.00 12.41 O ATOM 107 CB GLN A 9 12.657 -1.975 11.774 1.00 15.53 C ATOM 108 CG GLN A 9 13.603 -2.897 12.540 1.00 13.15 C ATOM 109 CD GLN A 9 13.808 -2.482 13.987 1.00 63.25 C ATOM 110 OE1 GLN A 9 13.727 -1.310 14.329 1.00 30.53 O ATOM 111 NE2 GLN A 9 14.076 -3.444 14.847 1.00 24.31 N ATOM 0 H GLN A 9 11.345 -3.968 12.402 1.00 32.22 H new ATOM 0 HA GLN A 9 11.286 -1.268 13.295 1.00 63.22 H new ATOM 0 HB2 GLN A 9 12.570 -2.334 10.749 1.00 15.53 H new ATOM 0 HB3 GLN A 9 13.098 -0.979 11.727 1.00 15.53 H new ATOM 0 HG2 GLN A 9 13.209 -3.913 12.513 1.00 13.15 H new ATOM 0 HG3 GLN A 9 14.569 -2.916 12.035 1.00 13.15 H new ATOM 0 HE21 GLN A 9 14.136 -4.411 14.528 1.00 24.31 H new ATOM 0 HE22 GLN A 9 14.223 -3.222 15.832 1.00 24.31 H new ATOM 120 N GLN A 10 9.913 -1.926 10.354 1.00 65.33 N ATOM 121 CA GLN A 10 8.945 -1.449 9.364 1.00 43.40 C ATOM 122 C GLN A 10 7.528 -1.357 9.953 1.00 45.43 C ATOM 123 O GLN A 10 6.724 -0.527 9.528 1.00 14.11 O ATOM 124 CB GLN A 10 8.987 -2.326 8.108 1.00 72.10 C ATOM 125 CG GLN A 10 10.250 -2.103 7.273 1.00 23.22 C ATOM 126 CD GLN A 10 10.327 -2.985 6.037 1.00 22.52 C ATOM 127 OE1 GLN A 10 10.861 -2.587 5.007 1.00 3.20 O ATOM 128 NE2 GLN A 10 9.841 -4.200 6.138 1.00 2.42 N ATOM 0 H GLN A 10 10.250 -2.873 10.183 1.00 65.33 H new ATOM 0 HA GLN A 10 9.227 -0.437 9.075 1.00 43.40 H new ATOM 0 HB2 GLN A 10 8.930 -3.375 8.400 1.00 72.10 H new ATOM 0 HB3 GLN A 10 8.110 -2.118 7.495 1.00 72.10 H new ATOM 0 HG2 GLN A 10 10.293 -1.058 6.966 1.00 23.22 H new ATOM 0 HG3 GLN A 10 11.125 -2.288 7.896 1.00 23.22 H new ATOM 0 HE21 GLN A 10 9.402 -4.503 7.008 1.00 2.42 H new ATOM 0 HE22 GLN A 10 9.902 -4.841 5.347 1.00 2.42 H new ATOM 137 N ILE A 11 7.216 -2.226 10.917 1.00 54.32 N ATOM 138 CA ILE A 11 5.955 -2.121 11.664 1.00 12.22 C ATOM 139 C ILE A 11 5.885 -0.770 12.402 1.00 70.41 C ATOM 140 O ILE A 11 4.851 -0.099 12.403 1.00 3.22 O ATOM 141 CB ILE A 11 5.799 -3.279 12.690 1.00 74.14 C ATOM 142 CG1 ILE A 11 5.753 -4.644 11.977 1.00 71.53 C ATOM 143 CG2 ILE A 11 4.549 -3.083 13.549 1.00 20.34 C ATOM 144 CD1 ILE A 11 4.535 -4.840 11.095 1.00 51.21 C ATOM 0 H ILE A 11 7.811 -3.005 11.199 1.00 54.32 H new ATOM 0 HA ILE A 11 5.140 -2.190 10.943 1.00 12.22 H new ATOM 0 HB ILE A 11 6.671 -3.264 13.344 1.00 74.14 H new ATOM 0 HG12 ILE A 11 6.651 -4.755 11.369 1.00 71.53 H new ATOM 0 HG13 ILE A 11 5.777 -5.435 12.727 1.00 71.53 H new ATOM 0 HG21 ILE A 11 4.462 -3.906 14.258 1.00 20.34 H new ATOM 0 HG22 ILE A 11 4.625 -2.141 14.093 1.00 20.34 H new ATOM 0 HG23 ILE A 11 3.667 -3.062 12.909 1.00 20.34 H new ATOM 0 HD11 ILE A 11 4.578 -5.825 10.629 1.00 51.21 H new ATOM 0 HD12 ILE A 11 3.632 -4.763 11.700 1.00 51.21 H new ATOM 0 HD13 ILE A 11 4.519 -4.073 10.321 1.00 51.21 H new ATOM 156 N ARG A 12 7.006 -0.375 13.012 1.00 52.45 N ATOM 157 CA ARG A 12 7.123 0.938 13.658 1.00 21.23 C ATOM 158 C ARG A 12 6.885 2.069 12.641 1.00 21.55 C ATOM 159 O ARG A 12 6.171 3.033 12.921 1.00 13.31 O ATOM 160 CB ARG A 12 8.512 1.095 14.297 1.00 50.41 C ATOM 161 CG ARG A 12 8.665 2.359 15.140 1.00 44.33 C ATOM 162 CD ARG A 12 10.095 2.534 15.645 1.00 53.14 C ATOM 163 NE ARG A 12 10.224 3.669 16.560 1.00 55.41 N ATOM 164 CZ ARG A 12 10.836 4.791 16.269 1.00 42.23 C ATOM 165 NH1 ARG A 12 11.423 4.950 15.126 1.00 31.55 N1+ ATOM 166 NH2 ARG A 12 10.884 5.751 17.132 1.00 14.41 N ATOM 0 H ARG A 12 7.849 -0.947 13.073 1.00 52.45 H new ATOM 0 HA ARG A 12 6.362 1.003 14.436 1.00 21.23 H new ATOM 0 HB2 ARG A 12 8.714 0.226 14.923 1.00 50.41 H new ATOM 0 HB3 ARG A 12 9.265 1.102 13.509 1.00 50.41 H new ATOM 0 HG2 ARG A 12 8.380 3.228 14.547 1.00 44.33 H new ATOM 0 HG3 ARG A 12 7.983 2.315 15.989 1.00 44.33 H new ATOM 0 HD2 ARG A 12 10.413 1.623 16.152 1.00 53.14 H new ATOM 0 HD3 ARG A 12 10.763 2.676 14.796 1.00 53.14 H new ATOM 0 HE ARG A 12 9.809 3.581 17.488 1.00 55.41 H new ATOM 0 HH11 ARG A 12 11.413 4.197 14.438 1.00 31.55 H new ATOM 0 HH12 ARG A 12 11.895 5.829 14.913 1.00 31.55 H new ATOM 0 HH21 ARG A 12 10.444 5.638 18.045 1.00 14.41 H new ATOM 0 HH22 ARG A 12 11.362 6.622 16.900 1.00 14.41 H new ATOM 180 N ASP A 13 7.491 1.934 11.460 1.00 41.20 N ATOM 181 CA ASP A 13 7.310 2.897 10.365 1.00 72.05 C ATOM 182 C ASP A 13 5.819 3.040 9.991 1.00 0.44 C ATOM 183 O ASP A 13 5.287 4.152 9.901 1.00 75.12 O ATOM 184 CB ASP A 13 8.130 2.440 9.151 1.00 71.50 C ATOM 185 CG ASP A 13 8.069 3.418 7.993 1.00 31.33 C ATOM 186 OD1 ASP A 13 7.228 3.232 7.091 1.00 34.21 O ATOM 187 OD2 ASP A 13 8.875 4.370 7.970 1.00 5.03 O1- ATOM 0 H ASP A 13 8.117 1.161 11.234 1.00 41.20 H new ATOM 0 HA ASP A 13 7.661 3.876 10.693 1.00 72.05 H new ATOM 0 HB2 ASP A 13 9.169 2.305 9.451 1.00 71.50 H new ATOM 0 HB3 ASP A 13 7.766 1.468 8.818 1.00 71.50 H new ATOM 192 N ARG A 14 5.148 1.902 9.792 1.00 72.23 N ATOM 193 CA ARG A 14 3.707 1.882 9.502 1.00 64.42 C ATOM 194 C ARG A 14 2.881 2.494 10.644 1.00 65.13 C ATOM 195 O ARG A 14 1.826 3.082 10.410 1.00 31.14 O ATOM 196 CB ARG A 14 3.238 0.446 9.221 1.00 3.14 C ATOM 197 CG ARG A 14 3.344 0.036 7.755 1.00 5.52 C ATOM 198 CD ARG A 14 2.346 0.803 6.886 1.00 2.34 C ATOM 199 NE ARG A 14 2.351 0.345 5.498 1.00 34.42 N ATOM 200 CZ ARG A 14 1.290 0.281 4.735 1.00 44.20 C ATOM 201 NH1 ARG A 14 0.127 0.638 5.185 1.00 31.43 N1+ ATOM 202 NH2 ARG A 14 1.407 -0.136 3.518 1.00 73.13 N ATOM 0 H ARG A 14 5.579 0.978 9.826 1.00 72.23 H new ATOM 0 HA ARG A 14 3.546 2.494 8.615 1.00 64.42 H new ATOM 0 HB2 ARG A 14 3.829 -0.243 9.824 1.00 3.14 H new ATOM 0 HB3 ARG A 14 2.202 0.343 9.543 1.00 3.14 H new ATOM 0 HG2 ARG A 14 4.357 0.220 7.397 1.00 5.52 H new ATOM 0 HG3 ARG A 14 3.162 -1.035 7.661 1.00 5.52 H new ATOM 0 HD2 ARG A 14 1.344 0.689 7.300 1.00 2.34 H new ATOM 0 HD3 ARG A 14 2.584 1.866 6.916 1.00 2.34 H new ATOM 0 HE ARG A 14 3.243 0.055 5.097 1.00 34.42 H new ATOM 0 HH11 ARG A 14 0.032 0.973 6.144 1.00 31.43 H new ATOM 0 HH12 ARG A 14 -0.693 0.583 4.580 1.00 31.43 H new ATOM 0 HH21 ARG A 14 2.321 -0.412 3.159 1.00 73.13 H new ATOM 0 HH22 ARG A 14 0.585 -0.189 2.916 1.00 73.13 H new ATOM 216 N LEU A 15 3.351 2.332 11.873 1.00 53.02 N ATOM 217 CA LEU A 15 2.698 2.937 13.038 1.00 0.10 C ATOM 218 C LEU A 15 2.769 4.476 12.944 1.00 3.32 C ATOM 219 O LEU A 15 1.763 5.173 13.098 1.00 75.11 O ATOM 220 CB LEU A 15 3.388 2.444 14.328 1.00 41.01 C ATOM 221 CG LEU A 15 2.511 2.356 15.594 1.00 50.12 C ATOM 222 CD1 LEU A 15 3.359 1.951 16.796 1.00 45.33 C ATOM 223 CD2 LEU A 15 1.785 3.669 15.873 1.00 4.12 C ATOM 0 H LEU A 15 4.184 1.786 12.095 1.00 53.02 H new ATOM 0 HA LEU A 15 1.649 2.641 13.060 1.00 0.10 H new ATOM 0 HB2 LEU A 15 3.805 1.456 14.134 1.00 41.01 H new ATOM 0 HB3 LEU A 15 4.226 3.108 14.540 1.00 41.01 H new ATOM 0 HG LEU A 15 1.752 1.593 15.419 1.00 50.12 H new ATOM 0 HD11 LEU A 15 2.728 1.892 17.683 1.00 45.33 H new ATOM 0 HD12 LEU A 15 3.814 0.978 16.609 1.00 45.33 H new ATOM 0 HD13 LEU A 15 4.142 2.693 16.956 1.00 45.33 H new ATOM 0 HD21 LEU A 15 1.178 3.565 16.773 1.00 4.12 H new ATOM 0 HD22 LEU A 15 2.515 4.465 16.018 1.00 4.12 H new ATOM 0 HD23 LEU A 15 1.142 3.916 15.028 1.00 4.12 H new ATOM 235 N LEU A 16 3.968 4.989 12.667 1.00 54.30 N ATOM 236 CA LEU A 16 4.219 6.437 12.615 1.00 14.25 C ATOM 237 C LEU A 16 3.334 7.158 11.579 1.00 41.43 C ATOM 238 O LEU A 16 2.895 8.285 11.810 1.00 23.41 O ATOM 239 CB LEU A 16 5.702 6.697 12.310 1.00 33.45 C ATOM 240 CG LEU A 16 6.695 6.124 13.337 1.00 45.45 C ATOM 241 CD1 LEU A 16 8.133 6.353 12.885 1.00 11.25 C ATOM 242 CD2 LEU A 16 6.462 6.735 14.719 1.00 2.23 C ATOM 0 H LEU A 16 4.791 4.419 12.473 1.00 54.30 H new ATOM 0 HA LEU A 16 3.961 6.844 13.593 1.00 14.25 H new ATOM 0 HB2 LEU A 16 5.934 6.277 11.331 1.00 33.45 H new ATOM 0 HB3 LEU A 16 5.858 7.773 12.240 1.00 33.45 H new ATOM 0 HG LEU A 16 6.525 5.050 13.407 1.00 45.45 H new ATOM 0 HD11 LEU A 16 8.817 5.940 13.626 1.00 11.25 H new ATOM 0 HD12 LEU A 16 8.296 5.861 11.926 1.00 11.25 H new ATOM 0 HD13 LEU A 16 8.315 7.422 12.779 1.00 11.25 H new ATOM 0 HD21 LEU A 16 7.176 6.315 15.428 1.00 2.23 H new ATOM 0 HD22 LEU A 16 6.596 7.815 14.667 1.00 2.23 H new ATOM 0 HD23 LEU A 16 5.448 6.511 15.049 1.00 2.23 H new ATOM 254 N GLN A 17 3.084 6.520 10.435 1.00 60.20 N ATOM 255 CA GLN A 17 2.242 7.123 9.387 1.00 42.53 C ATOM 256 C GLN A 17 0.741 7.021 9.722 1.00 51.45 C ATOM 257 O GLN A 17 -0.085 7.719 9.130 1.00 10.35 O ATOM 258 CB GLN A 17 2.545 6.483 8.015 1.00 42.12 C ATOM 259 CG GLN A 17 2.247 4.985 7.923 1.00 0.30 C ATOM 260 CD GLN A 17 0.783 4.669 7.648 1.00 70.22 C ATOM 261 OE1 GLN A 17 0.085 5.418 6.974 1.00 23.13 O ATOM 262 NE2 GLN A 17 0.298 3.577 8.197 1.00 44.24 N ATOM 0 H GLN A 17 3.446 5.594 10.206 1.00 60.20 H new ATOM 0 HA GLN A 17 2.488 8.184 9.339 1.00 42.53 H new ATOM 0 HB2 GLN A 17 1.964 7.002 7.252 1.00 42.12 H new ATOM 0 HB3 GLN A 17 3.597 6.645 7.779 1.00 42.12 H new ATOM 0 HG2 GLN A 17 2.858 4.550 7.133 1.00 0.30 H new ATOM 0 HG3 GLN A 17 2.544 4.506 8.856 1.00 0.30 H new ATOM 0 HE21 GLN A 17 0.904 2.973 8.753 1.00 44.24 H new ATOM 0 HE22 GLN A 17 -0.684 3.334 8.067 1.00 44.24 H new ATOM 271 N ALA A 18 0.394 6.160 10.677 1.00 62.14 N ATOM 272 CA ALA A 18 -1.011 5.940 11.046 1.00 73.24 C ATOM 273 C ALA A 18 -1.474 6.905 12.150 1.00 24.32 C ATOM 274 O ALA A 18 -2.666 7.211 12.262 1.00 41.50 O ATOM 275 CB ALA A 18 -1.214 4.493 11.485 1.00 52.44 C ATOM 0 H ALA A 18 1.061 5.603 11.210 1.00 62.14 H new ATOM 0 HA ALA A 18 -1.621 6.140 10.165 1.00 73.24 H new ATOM 0 HB1 ALA A 18 -2.258 4.338 11.757 1.00 52.44 H new ATOM 0 HB2 ALA A 18 -0.949 3.824 10.666 1.00 52.44 H new ATOM 0 HB3 ALA A 18 -0.580 4.282 12.346 1.00 52.44 H new ATOM 281 N ILE A 19 -0.531 7.380 12.966 1.00 74.54 N ATOM 282 CA ILE A 19 -0.842 8.337 14.037 1.00 12.32 C ATOM 283 C ILE A 19 0.043 9.593 13.958 1.00 54.31 C ATOM 284 O ILE A 19 1.046 9.628 13.244 1.00 44.40 O ATOM 285 CB ILE A 19 -0.677 7.704 15.450 1.00 54.22 C ATOM 286 CG1 ILE A 19 0.799 7.368 15.727 1.00 61.11 C ATOM 287 CG2 ILE A 19 -1.548 6.454 15.592 1.00 13.53 C ATOM 288 CD1 ILE A 19 1.068 6.895 17.143 1.00 2.11 C ATOM 0 H ILE A 19 0.454 7.120 12.908 1.00 74.54 H new ATOM 0 HA ILE A 19 -1.884 8.619 13.888 1.00 12.32 H new ATOM 0 HB ILE A 19 -1.007 8.435 16.188 1.00 54.22 H new ATOM 0 HG12 ILE A 19 1.122 6.596 15.029 1.00 61.11 H new ATOM 0 HG13 ILE A 19 1.406 8.251 15.528 1.00 61.11 H new ATOM 0 HG21 ILE A 19 -1.416 6.030 16.587 1.00 13.53 H new ATOM 0 HG22 ILE A 19 -2.595 6.722 15.448 1.00 13.53 H new ATOM 0 HG23 ILE A 19 -1.255 5.719 14.842 1.00 13.53 H new ATOM 0 HD11 ILE A 19 2.130 6.678 17.259 1.00 2.11 H new ATOM 0 HD12 ILE A 19 0.778 7.674 17.848 1.00 2.11 H new ATOM 0 HD13 ILE A 19 0.490 5.992 17.341 1.00 2.11 H new ATOM 300 N ASP A 20 -0.353 10.624 14.695 1.00 70.43 N ATOM 301 CA ASP A 20 0.435 11.853 14.838 1.00 13.40 C ATOM 302 C ASP A 20 1.189 11.843 16.187 1.00 73.33 C ATOM 303 O ASP A 20 0.906 11.007 17.043 1.00 21.12 O ATOM 304 CB ASP A 20 -0.489 13.073 14.743 1.00 32.31 C ATOM 305 CG ASP A 20 -1.438 13.153 15.916 1.00 31.21 C ATOM 306 OD1 ASP A 20 -2.414 12.384 15.949 1.00 43.11 O ATOM 307 OD2 ASP A 20 -1.202 13.977 16.818 1.00 23.20 O1- ATOM 0 H ASP A 20 -1.231 10.636 15.214 1.00 70.43 H new ATOM 0 HA ASP A 20 1.169 11.908 14.034 1.00 13.40 H new ATOM 0 HB2 ASP A 20 0.112 13.981 14.700 1.00 32.31 H new ATOM 0 HB3 ASP A 20 -1.061 13.024 13.816 1.00 32.31 H new ATOM 312 N PRO A 21 2.178 12.741 16.392 1.00 63.11 N ATOM 313 CA PRO A 21 2.958 12.803 17.649 1.00 34.11 C ATOM 314 C PRO A 21 2.106 12.885 18.938 1.00 61.10 C ATOM 315 O PRO A 21 2.588 12.543 20.019 1.00 1.41 O ATOM 316 CB PRO A 21 3.824 14.071 17.485 1.00 4.11 C ATOM 317 CG PRO A 21 3.255 14.799 16.309 1.00 44.03 C ATOM 318 CD PRO A 21 2.646 13.748 15.425 1.00 32.11 C ATOM 0 HA PRO A 21 3.528 11.884 17.784 1.00 34.11 H new ATOM 0 HB2 PRO A 21 3.788 14.688 18.383 1.00 4.11 H new ATOM 0 HB3 PRO A 21 4.869 13.812 17.317 1.00 4.11 H new ATOM 0 HG2 PRO A 21 2.506 15.525 16.625 1.00 44.03 H new ATOM 0 HG3 PRO A 21 4.031 15.352 15.780 1.00 44.03 H new ATOM 0 HD2 PRO A 21 1.826 14.147 14.828 1.00 32.11 H new ATOM 0 HD3 PRO A 21 3.375 13.333 14.729 1.00 32.11 H new ATOM 326 N GLN A 22 0.851 13.329 18.837 1.00 74.41 N ATOM 327 CA GLN A 22 -0.044 13.375 20.009 1.00 51.43 C ATOM 328 C GLN A 22 -0.762 12.021 20.218 1.00 10.53 C ATOM 329 O GLN A 22 -1.613 11.879 21.098 1.00 72.13 O ATOM 330 CB GLN A 22 -1.059 14.527 19.860 1.00 20.11 C ATOM 331 CG GLN A 22 -2.004 14.711 21.046 1.00 52.22 C ATOM 332 CD GLN A 22 -1.285 14.962 22.362 1.00 20.45 C ATOM 333 OE1 GLN A 22 -1.016 16.101 22.731 1.00 63.33 O ATOM 334 NE2 GLN A 22 -0.982 13.903 23.084 1.00 74.11 N ATOM 0 H GLN A 22 0.430 13.660 17.969 1.00 74.41 H new ATOM 0 HA GLN A 22 0.561 13.562 20.896 1.00 51.43 H new ATOM 0 HB2 GLN A 22 -0.511 15.456 19.704 1.00 20.11 H new ATOM 0 HB3 GLN A 22 -1.654 14.353 18.964 1.00 20.11 H new ATOM 0 HG2 GLN A 22 -2.672 15.547 20.841 1.00 52.22 H new ATOM 0 HG3 GLN A 22 -2.627 13.822 21.145 1.00 52.22 H new ATOM 0 HE21 GLN A 22 -1.221 12.970 22.747 1.00 74.11 H new ATOM 0 HE22 GLN A 22 -0.509 14.015 23.981 1.00 74.11 H new ATOM 343 N SER A 23 -0.385 11.025 19.414 1.00 73.42 N ATOM 344 CA SER A 23 -0.895 9.651 19.559 1.00 24.31 C ATOM 345 C SER A 23 -2.404 9.527 19.274 1.00 61.21 C ATOM 346 O SER A 23 -3.133 8.893 20.035 1.00 44.32 O ATOM 347 CB SER A 23 -0.572 9.091 20.958 1.00 22.34 C ATOM 348 OG SER A 23 0.776 8.650 21.051 1.00 30.23 O ATOM 0 H SER A 23 0.278 11.142 18.647 1.00 73.42 H new ATOM 0 HA SER A 23 -0.382 9.058 18.802 1.00 24.31 H new ATOM 0 HB2 SER A 23 -0.756 9.860 21.709 1.00 22.34 H new ATOM 0 HB3 SER A 23 -1.242 8.261 21.181 1.00 22.34 H new ATOM 0 HG SER A 23 0.796 7.674 21.140 1.00 30.23 H new ATOM 354 N ASN A 24 -2.881 10.140 18.194 1.00 74.41 N ATOM 355 CA ASN A 24 -4.282 9.971 17.771 1.00 42.01 C ATOM 356 C ASN A 24 -4.367 9.071 16.528 1.00 34.45 C ATOM 357 O ASN A 24 -3.589 9.228 15.585 1.00 33.30 O ATOM 358 CB ASN A 24 -4.920 11.328 17.465 1.00 45.01 C ATOM 359 CG ASN A 24 -4.717 12.323 18.587 1.00 3.12 C ATOM 360 OD1 ASN A 24 -5.555 12.477 19.469 1.00 15.44 O ATOM 361 ND2 ASN A 24 -3.583 12.987 18.574 1.00 65.14 N ATOM 0 H ASN A 24 -2.329 10.755 17.595 1.00 74.41 H new ATOM 0 HA ASN A 24 -4.825 9.499 18.590 1.00 42.01 H new ATOM 0 HB2 ASN A 24 -4.494 11.729 16.545 1.00 45.01 H new ATOM 0 HB3 ASN A 24 -5.987 11.194 17.290 1.00 45.01 H new ATOM 0 HD21 ASN A 24 -3.376 13.657 19.315 1.00 65.14 H new ATOM 0 HD22 ASN A 24 -2.910 12.832 17.823 1.00 65.14 H new ATOM 368 N ILE A 25 -5.310 8.130 16.525 1.00 61.42 N ATOM 369 CA ILE A 25 -5.499 7.240 15.374 1.00 4.33 C ATOM 370 C ILE A 25 -6.021 8.028 14.159 1.00 23.35 C ATOM 371 O ILE A 25 -7.224 8.266 14.026 1.00 54.11 O ATOM 372 CB ILE A 25 -6.479 6.080 15.703 1.00 14.21 C ATOM 373 CG1 ILE A 25 -5.997 5.294 16.938 1.00 44.52 C ATOM 374 CG2 ILE A 25 -6.643 5.146 14.499 1.00 25.51 C ATOM 375 CD1 ILE A 25 -4.634 4.653 16.768 1.00 61.34 C ATOM 0 H ILE A 25 -5.952 7.962 17.299 1.00 61.42 H new ATOM 0 HA ILE A 25 -4.526 6.810 15.135 1.00 4.33 H new ATOM 0 HB ILE A 25 -7.453 6.514 15.931 1.00 14.21 H new ATOM 0 HG12 ILE A 25 -5.966 5.967 17.795 1.00 44.52 H new ATOM 0 HG13 ILE A 25 -6.726 4.517 17.169 1.00 44.52 H new ATOM 0 HG21 ILE A 25 -7.334 4.342 14.754 1.00 25.51 H new ATOM 0 HG22 ILE A 25 -7.037 5.709 13.653 1.00 25.51 H new ATOM 0 HG23 ILE A 25 -5.675 4.722 14.233 1.00 25.51 H new ATOM 0 HD11 ILE A 25 -4.367 4.119 17.680 1.00 61.34 H new ATOM 0 HD12 ILE A 25 -4.663 3.953 15.933 1.00 61.34 H new ATOM 0 HD13 ILE A 25 -3.891 5.425 16.569 1.00 61.34 H new ATOM 387 N ARG A 26 -5.107 8.448 13.285 1.00 53.15 N ATOM 388 CA ARG A 26 -5.465 9.276 12.127 1.00 43.31 C ATOM 389 C ARG A 26 -6.068 8.451 10.980 1.00 5.34 C ATOM 390 O ARG A 26 -7.038 8.866 10.347 1.00 24.14 O ATOM 391 CB ARG A 26 -4.240 10.037 11.606 1.00 11.13 C ATOM 392 CG ARG A 26 -3.736 11.140 12.531 1.00 22.42 C ATOM 393 CD ARG A 26 -2.708 12.010 11.816 1.00 52.14 C ATOM 394 NE ARG A 26 -3.216 12.464 10.518 1.00 61.12 N ATOM 395 CZ ARG A 26 -2.571 12.353 9.386 1.00 35.21 C ATOM 396 NH1 ARG A 26 -1.349 11.931 9.358 1.00 53.13 N1+ ATOM 397 NH2 ARG A 26 -3.151 12.688 8.283 1.00 13.44 N ATOM 0 H ARG A 26 -4.113 8.230 13.354 1.00 53.15 H new ATOM 0 HA ARG A 26 -6.222 9.980 12.473 1.00 43.31 H new ATOM 0 HB2 ARG A 26 -3.432 9.326 11.437 1.00 11.13 H new ATOM 0 HB3 ARG A 26 -4.486 10.476 10.639 1.00 11.13 H new ATOM 0 HG2 ARG A 26 -4.573 11.754 12.863 1.00 22.42 H new ATOM 0 HG3 ARG A 26 -3.290 10.699 13.423 1.00 22.42 H new ATOM 0 HD2 ARG A 26 -2.462 12.872 12.436 1.00 52.14 H new ATOM 0 HD3 ARG A 26 -1.786 11.447 11.673 1.00 52.14 H new ATOM 0 HE ARG A 26 -4.139 12.898 10.496 1.00 61.12 H new ATOM 0 HH11 ARG A 26 -0.876 11.680 10.226 1.00 53.13 H new ATOM 0 HH12 ARG A 26 -0.858 11.849 8.468 1.00 53.13 H new ATOM 0 HH21 ARG A 26 -4.109 13.038 8.296 1.00 13.44 H new ATOM 0 HH22 ARG A 26 -2.651 12.603 7.398 1.00 13.44 H new ATOM 411 N ASN A 27 -5.483 7.292 10.701 1.00 61.13 N ATOM 412 CA ASN A 27 -5.931 6.461 9.576 1.00 42.11 C ATOM 413 C ASN A 27 -6.346 5.060 10.053 1.00 22.04 C ATOM 414 O ASN A 27 -5.499 4.206 10.326 1.00 42.41 O ATOM 415 CB ASN A 27 -4.812 6.367 8.531 1.00 74.21 C ATOM 416 CG ASN A 27 -5.286 5.819 7.196 1.00 31.23 C ATOM 417 OD1 ASN A 27 -6.219 5.026 7.123 1.00 52.30 O ATOM 418 ND2 ASN A 27 -4.631 6.225 6.128 1.00 43.43 N ATOM 0 H ASN A 27 -4.703 6.903 11.230 1.00 61.13 H new ATOM 0 HA ASN A 27 -6.806 6.927 9.124 1.00 42.11 H new ATOM 0 HB2 ASN A 27 -4.382 7.357 8.378 1.00 74.21 H new ATOM 0 HB3 ASN A 27 -4.016 5.730 8.916 1.00 74.21 H new ATOM 0 HD21 ASN A 27 -4.895 5.879 5.206 1.00 43.43 H new ATOM 0 HD22 ASN A 27 -3.860 6.885 6.223 1.00 43.43 H new ATOM 425 N MET A 28 -7.657 4.832 10.150 1.00 1.53 N ATOM 426 CA MET A 28 -8.189 3.560 10.652 1.00 54.31 C ATOM 427 C MET A 28 -7.815 2.385 9.734 1.00 61.14 C ATOM 428 O MET A 28 -7.436 1.318 10.209 1.00 63.44 O ATOM 429 CB MET A 28 -9.713 3.643 10.823 1.00 51.54 C ATOM 430 CG MET A 28 -10.326 2.414 11.485 1.00 44.45 C ATOM 431 SD MET A 28 -12.106 2.571 11.744 1.00 2.13 S ATOM 432 CE MET A 28 -12.698 2.679 10.055 1.00 24.03 C ATOM 0 H MET A 28 -8.372 5.511 9.888 1.00 1.53 H new ATOM 0 HA MET A 28 -7.735 3.376 11.626 1.00 54.31 H new ATOM 0 HB2 MET A 28 -9.955 4.523 11.418 1.00 51.54 H new ATOM 0 HB3 MET A 28 -10.172 3.784 9.844 1.00 51.54 H new ATOM 0 HG2 MET A 28 -10.130 1.538 10.866 1.00 44.45 H new ATOM 0 HG3 MET A 28 -9.838 2.243 12.444 1.00 44.45 H new ATOM 0 HE1 MET A 28 -13.772 2.495 10.033 1.00 24.03 H new ATOM 0 HE2 MET A 28 -12.493 3.674 9.660 1.00 24.03 H new ATOM 0 HE3 MET A 28 -12.190 1.934 9.443 1.00 24.03 H new ATOM 442 N VAL A 29 -7.916 2.584 8.424 1.00 71.34 N ATOM 443 CA VAL A 29 -7.559 1.533 7.460 1.00 2.23 C ATOM 444 C VAL A 29 -6.063 1.178 7.545 1.00 44.15 C ATOM 445 O VAL A 29 -5.691 0.004 7.593 1.00 24.52 O ATOM 446 CB VAL A 29 -7.910 1.951 6.006 1.00 42.55 C ATOM 447 CG1 VAL A 29 -7.558 0.840 5.018 1.00 23.53 C ATOM 448 CG2 VAL A 29 -9.387 2.326 5.895 1.00 23.30 C ATOM 0 H VAL A 29 -8.239 3.454 8.001 1.00 71.34 H new ATOM 0 HA VAL A 29 -8.146 0.653 7.723 1.00 2.23 H new ATOM 0 HB VAL A 29 -7.314 2.828 5.753 1.00 42.55 H new ATOM 0 HG11 VAL A 29 -7.814 1.158 4.007 1.00 23.53 H new ATOM 0 HG12 VAL A 29 -6.490 0.629 5.073 1.00 23.53 H new ATOM 0 HG13 VAL A 29 -8.119 -0.060 5.268 1.00 23.53 H new ATOM 0 HG21 VAL A 29 -9.613 2.616 4.869 1.00 23.30 H new ATOM 0 HG22 VAL A 29 -10.002 1.470 6.174 1.00 23.30 H new ATOM 0 HG23 VAL A 29 -9.602 3.160 6.563 1.00 23.30 H new ATOM 458 N ALA A 30 -5.211 2.201 7.581 1.00 74.12 N ATOM 459 CA ALA A 30 -3.756 2.000 7.643 1.00 74.22 C ATOM 460 C ALA A 30 -3.323 1.289 8.936 1.00 53.33 C ATOM 461 O ALA A 30 -2.466 0.403 8.908 1.00 31.00 O ATOM 462 CB ALA A 30 -3.033 3.334 7.501 1.00 30.43 C ATOM 0 H ALA A 30 -5.499 3.179 7.568 1.00 74.12 H new ATOM 0 HA ALA A 30 -3.480 1.352 6.811 1.00 74.22 H new ATOM 0 HB1 ALA A 30 -1.956 3.171 7.549 1.00 30.43 H new ATOM 0 HB2 ALA A 30 -3.290 3.787 6.543 1.00 30.43 H new ATOM 0 HB3 ALA A 30 -3.335 4.000 8.310 1.00 30.43 H new ATOM 468 N VAL A 31 -3.901 1.682 10.073 1.00 61.23 N ATOM 469 CA VAL A 31 -3.598 1.015 11.346 1.00 43.51 C ATOM 470 C VAL A 31 -4.072 -0.451 11.325 1.00 11.11 C ATOM 471 O VAL A 31 -3.394 -1.340 11.841 1.00 33.30 O ATOM 472 CB VAL A 31 -4.202 1.761 12.570 1.00 61.24 C ATOM 473 CG1 VAL A 31 -5.725 1.690 12.583 1.00 32.14 C ATOM 474 CG2 VAL A 31 -3.624 1.216 13.877 1.00 5.44 C ATOM 0 H VAL A 31 -4.572 2.447 10.142 1.00 61.23 H new ATOM 0 HA VAL A 31 -2.514 1.036 11.458 1.00 43.51 H new ATOM 0 HB VAL A 31 -3.925 2.811 12.479 1.00 61.24 H new ATOM 0 HG11 VAL A 31 -6.107 2.223 13.454 1.00 32.14 H new ATOM 0 HG12 VAL A 31 -6.118 2.148 11.676 1.00 32.14 H new ATOM 0 HG13 VAL A 31 -6.040 0.648 12.629 1.00 32.14 H new ATOM 0 HG21 VAL A 31 -4.061 1.752 14.720 1.00 5.44 H new ATOM 0 HG22 VAL A 31 -3.856 0.155 13.963 1.00 5.44 H new ATOM 0 HG23 VAL A 31 -2.543 1.352 13.881 1.00 5.44 H new ATOM 484 N LEU A 32 -5.235 -0.702 10.712 1.00 44.44 N ATOM 485 CA LEU A 32 -5.745 -2.070 10.551 1.00 11.20 C ATOM 486 C LEU A 32 -4.765 -2.942 9.748 1.00 24.22 C ATOM 487 O LEU A 32 -4.645 -4.144 9.995 1.00 52.51 O ATOM 488 CB LEU A 32 -7.125 -2.058 9.875 1.00 13.23 C ATOM 489 CG LEU A 32 -8.272 -1.501 10.736 1.00 53.34 C ATOM 490 CD1 LEU A 32 -9.568 -1.418 9.933 1.00 42.21 C ATOM 491 CD2 LEU A 32 -8.466 -2.351 11.991 1.00 42.50 C ATOM 0 H LEU A 32 -5.839 0.021 10.321 1.00 44.44 H new ATOM 0 HA LEU A 32 -5.846 -2.504 11.546 1.00 11.20 H new ATOM 0 HB2 LEU A 32 -7.059 -1.468 8.961 1.00 13.23 H new ATOM 0 HB3 LEU A 32 -7.376 -3.077 9.579 1.00 13.23 H new ATOM 0 HG LEU A 32 -8.003 -0.491 11.045 1.00 53.34 H new ATOM 0 HD11 LEU A 32 -10.363 -1.021 10.565 1.00 42.21 H new ATOM 0 HD12 LEU A 32 -9.423 -0.760 9.076 1.00 42.21 H new ATOM 0 HD13 LEU A 32 -9.844 -2.413 9.584 1.00 42.21 H new ATOM 0 HD21 LEU A 32 -9.282 -1.940 12.586 1.00 42.50 H new ATOM 0 HD22 LEU A 32 -8.706 -3.375 11.704 1.00 42.50 H new ATOM 0 HD23 LEU A 32 -7.549 -2.345 12.580 1.00 42.50 H new ATOM 503 N GLU A 33 -4.069 -2.335 8.783 1.00 23.02 N ATOM 504 CA GLU A 33 -2.997 -3.030 8.057 1.00 64.21 C ATOM 505 C GLU A 33 -1.881 -3.460 9.021 1.00 24.10 C ATOM 506 O GLU A 33 -1.343 -4.567 8.921 1.00 31.21 O ATOM 507 CB GLU A 33 -2.402 -2.135 6.959 1.00 44.10 C ATOM 508 CG GLU A 33 -3.406 -1.679 5.906 1.00 11.32 C ATOM 509 CD GLU A 33 -2.739 -0.969 4.738 1.00 14.34 C ATOM 510 OE1 GLU A 33 -2.528 0.258 4.814 1.00 71.33 O ATOM 511 OE2 GLU A 33 -2.399 -1.646 3.743 1.00 2.14 O1- ATOM 0 H GLU A 33 -4.225 -1.372 8.486 1.00 23.02 H new ATOM 0 HA GLU A 33 -3.435 -3.914 7.593 1.00 64.21 H new ATOM 0 HB2 GLU A 33 -1.958 -1.255 7.425 1.00 44.10 H new ATOM 0 HB3 GLU A 33 -1.595 -2.675 6.464 1.00 44.10 H new ATOM 0 HG2 GLU A 33 -3.957 -2.543 5.535 1.00 11.32 H new ATOM 0 HG3 GLU A 33 -4.133 -1.010 6.367 1.00 11.32 H new ATOM 518 N VAL A 34 -1.542 -2.570 9.955 1.00 1.21 N ATOM 519 CA VAL A 34 -0.528 -2.858 10.973 1.00 53.34 C ATOM 520 C VAL A 34 -0.946 -4.059 11.838 1.00 71.43 C ATOM 521 O VAL A 34 -0.181 -5.002 12.011 1.00 71.35 O ATOM 522 CB VAL A 34 -0.269 -1.629 11.887 1.00 3.31 C ATOM 523 CG1 VAL A 34 0.825 -1.929 12.915 1.00 71.12 C ATOM 524 CG2 VAL A 34 0.085 -0.397 11.051 1.00 15.45 C ATOM 0 H VAL A 34 -1.956 -1.641 10.028 1.00 1.21 H new ATOM 0 HA VAL A 34 0.395 -3.097 10.445 1.00 53.34 H new ATOM 0 HB VAL A 34 -1.188 -1.414 12.433 1.00 3.31 H new ATOM 0 HG11 VAL A 34 0.986 -1.052 13.542 1.00 71.12 H new ATOM 0 HG12 VAL A 34 0.518 -2.769 13.538 1.00 71.12 H new ATOM 0 HG13 VAL A 34 1.751 -2.180 12.398 1.00 71.12 H new ATOM 0 HG21 VAL A 34 0.262 0.452 11.711 1.00 15.45 H new ATOM 0 HG22 VAL A 34 0.984 -0.598 10.469 1.00 15.45 H new ATOM 0 HG23 VAL A 34 -0.739 -0.166 10.376 1.00 15.45 H new ATOM 534 N ILE A 35 -2.177 -4.027 12.356 1.00 51.12 N ATOM 535 CA ILE A 35 -2.709 -5.134 13.167 1.00 23.52 C ATOM 536 C ILE A 35 -2.769 -6.448 12.363 1.00 11.14 C ATOM 537 O ILE A 35 -2.328 -7.494 12.839 1.00 12.33 O ATOM 538 CB ILE A 35 -4.123 -4.801 13.741 1.00 13.51 C ATOM 539 CG1 ILE A 35 -4.024 -3.854 14.955 1.00 24.30 C ATOM 540 CG2 ILE A 35 -4.878 -6.074 14.134 1.00 41.43 C ATOM 541 CD1 ILE A 35 -3.406 -2.505 14.655 1.00 71.11 C ATOM 0 H ILE A 35 -2.825 -3.250 12.231 1.00 51.12 H new ATOM 0 HA ILE A 35 -2.020 -5.268 14.001 1.00 23.52 H new ATOM 0 HB ILE A 35 -4.680 -4.298 12.951 1.00 13.51 H new ATOM 0 HG12 ILE A 35 -5.024 -3.699 15.360 1.00 24.30 H new ATOM 0 HG13 ILE A 35 -3.437 -4.342 15.733 1.00 24.30 H new ATOM 0 HG21 ILE A 35 -5.858 -5.808 14.530 1.00 41.43 H new ATOM 0 HG22 ILE A 35 -5.001 -6.709 13.257 1.00 41.43 H new ATOM 0 HG23 ILE A 35 -4.313 -6.612 14.895 1.00 41.43 H new ATOM 0 HD11 ILE A 35 -3.378 -1.907 15.566 1.00 71.11 H new ATOM 0 HD12 ILE A 35 -2.392 -2.645 14.281 1.00 71.11 H new ATOM 0 HD13 ILE A 35 -4.003 -1.991 13.902 1.00 71.11 H new ATOM 553 N SER A 36 -3.297 -6.382 11.141 1.00 1.04 N ATOM 554 CA SER A 36 -3.425 -7.575 10.285 1.00 44.24 C ATOM 555 C SER A 36 -2.064 -8.234 10.023 1.00 41.32 C ATOM 556 O SER A 36 -1.920 -9.454 10.132 1.00 64.33 O ATOM 557 CB SER A 36 -4.088 -7.221 8.947 1.00 72.04 C ATOM 558 OG SER A 36 -4.196 -8.364 8.106 1.00 60.21 O ATOM 0 H SER A 36 -3.644 -5.521 10.717 1.00 1.04 H new ATOM 0 HA SER A 36 -4.055 -8.285 10.822 1.00 44.24 H new ATOM 0 HB2 SER A 36 -5.079 -6.805 9.128 1.00 72.04 H new ATOM 0 HB3 SER A 36 -3.506 -6.449 8.443 1.00 72.04 H new ATOM 0 HG SER A 36 -4.623 -8.110 7.262 1.00 60.21 H new ATOM 564 N SER A 37 -1.065 -7.427 9.677 1.00 10.21 N ATOM 565 CA SER A 37 0.299 -7.938 9.481 1.00 61.30 C ATOM 566 C SER A 37 0.905 -8.407 10.811 1.00 51.05 C ATOM 567 O SER A 37 1.600 -9.421 10.861 1.00 71.34 O ATOM 568 CB SER A 37 1.200 -6.874 8.834 1.00 32.21 C ATOM 569 OG SER A 37 1.298 -5.708 9.635 1.00 13.21 O ATOM 0 H SER A 37 -1.167 -6.423 9.526 1.00 10.21 H new ATOM 0 HA SER A 37 0.237 -8.793 8.807 1.00 61.30 H new ATOM 0 HB2 SER A 37 2.195 -7.289 8.674 1.00 32.21 H new ATOM 0 HB3 SER A 37 0.803 -6.609 7.854 1.00 32.21 H new ATOM 0 HG SER A 37 0.491 -5.163 9.520 1.00 13.21 H new ATOM 575 N LEU A 38 0.617 -7.670 11.885 1.00 41.41 N ATOM 576 CA LEU A 38 1.095 -8.009 13.233 1.00 64.10 C ATOM 577 C LEU A 38 0.610 -9.403 13.672 1.00 33.23 C ATOM 578 O LEU A 38 1.316 -10.125 14.380 1.00 74.13 O ATOM 579 CB LEU A 38 0.619 -6.947 14.237 1.00 50.33 C ATOM 580 CG LEU A 38 1.129 -7.109 15.679 1.00 2.11 C ATOM 581 CD1 LEU A 38 2.645 -6.936 15.738 1.00 60.51 C ATOM 582 CD2 LEU A 38 0.433 -6.119 16.613 1.00 64.33 C ATOM 0 H LEU A 38 0.048 -6.824 11.849 1.00 41.41 H new ATOM 0 HA LEU A 38 2.185 -8.028 13.209 1.00 64.10 H new ATOM 0 HB2 LEU A 38 0.925 -5.967 13.872 1.00 50.33 H new ATOM 0 HB3 LEU A 38 -0.471 -6.954 14.255 1.00 50.33 H new ATOM 0 HG LEU A 38 0.889 -8.118 16.014 1.00 2.11 H new ATOM 0 HD11 LEU A 38 2.985 -7.054 16.767 1.00 60.51 H new ATOM 0 HD12 LEU A 38 3.122 -7.688 15.109 1.00 60.51 H new ATOM 0 HD13 LEU A 38 2.912 -5.942 15.380 1.00 60.51 H new ATOM 0 HD21 LEU A 38 0.808 -6.251 17.628 1.00 64.33 H new ATOM 0 HD22 LEU A 38 0.636 -5.101 16.280 1.00 64.33 H new ATOM 0 HD23 LEU A 38 -0.642 -6.299 16.598 1.00 64.33 H new ATOM 594 N GLU A 39 -0.598 -9.776 13.248 1.00 10.33 N ATOM 595 CA GLU A 39 -1.142 -11.110 13.534 1.00 5.42 C ATOM 596 C GLU A 39 -0.253 -12.213 12.937 1.00 35.03 C ATOM 597 O GLU A 39 -0.195 -13.329 13.457 1.00 53.35 O ATOM 598 CB GLU A 39 -2.573 -11.246 12.984 1.00 43.35 C ATOM 599 CG GLU A 39 -3.582 -10.294 13.622 1.00 20.21 C ATOM 600 CD GLU A 39 -5.001 -10.508 13.111 1.00 42.40 C ATOM 601 OE1 GLU A 39 -5.357 -9.943 12.055 1.00 25.31 O ATOM 602 OE2 GLU A 39 -5.768 -11.251 13.764 1.00 52.34 O1- ATOM 0 H GLU A 39 -1.220 -9.176 12.706 1.00 10.33 H new ATOM 0 HA GLU A 39 -1.164 -11.228 14.617 1.00 5.42 H new ATOM 0 HB2 GLU A 39 -2.555 -11.071 11.908 1.00 43.35 H new ATOM 0 HB3 GLU A 39 -2.912 -12.271 13.134 1.00 43.35 H new ATOM 0 HG2 GLU A 39 -3.566 -10.427 14.704 1.00 20.21 H new ATOM 0 HG3 GLU A 39 -3.280 -9.266 13.423 1.00 20.21 H new ATOM 609 N LYS A 40 0.418 -11.898 11.828 1.00 50.43 N ATOM 610 CA LYS A 40 1.336 -12.844 11.178 1.00 61.34 C ATOM 611 C LYS A 40 2.797 -12.580 11.584 1.00 41.11 C ATOM 612 O LYS A 40 3.651 -13.463 11.480 1.00 71.40 O ATOM 613 CB LYS A 40 1.219 -12.721 9.653 1.00 44.30 C ATOM 614 CG LYS A 40 -0.204 -12.828 9.116 1.00 4.25 C ATOM 615 CD LYS A 40 -0.237 -12.641 7.601 1.00 32.21 C ATOM 616 CE LYS A 40 -1.656 -12.664 7.047 1.00 65.01 C ATOM 617 NZ LYS A 40 -1.668 -12.525 5.566 1.00 1.11 N1+ ATOM 0 H LYS A 40 0.345 -10.995 11.358 1.00 50.43 H new ATOM 0 HA LYS A 40 1.058 -13.847 11.501 1.00 61.34 H new ATOM 0 HB2 LYS A 40 1.639 -11.763 9.345 1.00 44.30 H new ATOM 0 HB3 LYS A 40 1.827 -13.499 9.191 1.00 44.30 H new ATOM 0 HG2 LYS A 40 -0.621 -13.801 9.374 1.00 4.25 H new ATOM 0 HG3 LYS A 40 -0.833 -12.076 9.592 1.00 4.25 H new ATOM 0 HD2 LYS A 40 0.236 -11.693 7.344 1.00 32.21 H new ATOM 0 HD3 LYS A 40 0.349 -13.429 7.127 1.00 32.21 H new ATOM 0 HE2 LYS A 40 -2.142 -13.598 7.329 1.00 65.01 H new ATOM 0 HE3 LYS A 40 -2.235 -11.855 7.494 1.00 65.01 H new ATOM 0 HZ1 LYS A 40 -2.650 -12.545 5.223 1.00 1.11 H new ATOM 0 HZ2 LYS A 40 -1.226 -11.622 5.298 1.00 1.11 H new ATOM 0 HZ3 LYS A 40 -1.137 -13.311 5.139 1.00 1.11 H new ATOM 631 N TYR A 41 3.076 -11.360 12.042 1.00 32.13 N ATOM 632 CA TYR A 41 4.441 -10.946 12.397 1.00 33.23 C ATOM 633 C TYR A 41 4.452 -10.140 13.709 1.00 43.31 C ATOM 634 O TYR A 41 4.390 -8.908 13.693 1.00 40.03 O ATOM 635 CB TYR A 41 5.061 -10.098 11.271 1.00 43.53 C ATOM 636 CG TYR A 41 4.990 -10.736 9.893 1.00 14.34 C ATOM 637 CD1 TYR A 41 4.031 -10.332 8.966 1.00 2.40 C ATOM 638 CD2 TYR A 41 5.878 -11.740 9.518 1.00 35.41 C ATOM 639 CE1 TYR A 41 3.958 -10.910 7.714 1.00 13.02 C ATOM 640 CE2 TYR A 41 5.811 -12.321 8.265 1.00 41.20 C ATOM 641 CZ TYR A 41 4.849 -11.902 7.367 1.00 13.24 C ATOM 642 OH TYR A 41 4.776 -12.482 6.117 1.00 2.35 O ATOM 0 H TYR A 41 2.373 -10.634 12.178 1.00 32.13 H new ATOM 0 HA TYR A 41 5.033 -11.851 12.535 1.00 33.23 H new ATOM 0 HB2 TYR A 41 4.554 -9.133 11.238 1.00 43.53 H new ATOM 0 HB3 TYR A 41 6.105 -9.901 11.514 1.00 43.53 H new ATOM 0 HD1 TYR A 41 3.332 -9.553 9.232 1.00 2.40 H new ATOM 0 HD2 TYR A 41 6.632 -12.071 10.217 1.00 35.41 H new ATOM 0 HE1 TYR A 41 3.206 -10.586 7.010 1.00 13.02 H new ATOM 0 HE2 TYR A 41 6.508 -13.099 7.990 1.00 41.20 H new ATOM 0 HH TYR A 41 5.476 -13.163 6.031 1.00 2.35 H new ATOM 652 N PRO A 42 4.515 -10.821 14.868 1.00 51.54 N ATOM 653 CA PRO A 42 4.559 -10.148 16.174 1.00 33.15 C ATOM 654 C PRO A 42 5.935 -9.530 16.485 1.00 21.05 C ATOM 655 O PRO A 42 6.979 -10.080 16.121 1.00 43.24 O ATOM 656 CB PRO A 42 4.231 -11.277 17.158 1.00 43.44 C ATOM 657 CG PRO A 42 4.718 -12.515 16.481 1.00 64.24 C ATOM 658 CD PRO A 42 4.527 -12.291 15.000 1.00 41.04 C ATOM 0 HA PRO A 42 3.869 -9.306 16.222 1.00 33.15 H new ATOM 0 HB2 PRO A 42 4.729 -11.126 18.116 1.00 43.44 H new ATOM 0 HB3 PRO A 42 3.161 -11.329 17.360 1.00 43.44 H new ATOM 0 HG2 PRO A 42 5.767 -12.699 16.714 1.00 64.24 H new ATOM 0 HG3 PRO A 42 4.159 -13.388 16.818 1.00 64.24 H new ATOM 0 HD2 PRO A 42 5.334 -12.739 14.420 1.00 41.04 H new ATOM 0 HD3 PRO A 42 3.596 -12.733 14.645 1.00 41.04 H new ATOM 666 N ILE A 43 5.927 -8.382 17.160 1.00 11.01 N ATOM 667 CA ILE A 43 7.163 -7.690 17.540 1.00 11.32 C ATOM 668 C ILE A 43 8.012 -8.544 18.502 1.00 25.41 C ATOM 669 O ILE A 43 7.514 -9.045 19.511 1.00 1.04 O ATOM 670 CB ILE A 43 6.844 -6.323 18.199 1.00 32.43 C ATOM 671 CG1 ILE A 43 5.970 -5.473 17.261 1.00 70.33 C ATOM 672 CG2 ILE A 43 8.131 -5.580 18.562 1.00 61.33 C ATOM 673 CD1 ILE A 43 5.494 -4.172 17.873 1.00 11.32 C ATOM 0 H ILE A 43 5.075 -7.907 17.458 1.00 11.01 H new ATOM 0 HA ILE A 43 7.737 -7.523 16.629 1.00 11.32 H new ATOM 0 HB ILE A 43 6.291 -6.504 19.120 1.00 32.43 H new ATOM 0 HG12 ILE A 43 6.536 -5.251 16.356 1.00 70.33 H new ATOM 0 HG13 ILE A 43 5.102 -6.059 16.959 1.00 70.33 H new ATOM 0 HG21 ILE A 43 7.882 -4.624 19.023 1.00 61.33 H new ATOM 0 HG22 ILE A 43 8.712 -6.180 19.262 1.00 61.33 H new ATOM 0 HG23 ILE A 43 8.717 -5.406 17.660 1.00 61.33 H new ATOM 0 HD11 ILE A 43 4.884 -3.631 17.149 1.00 11.32 H new ATOM 0 HD12 ILE A 43 4.900 -4.384 18.762 1.00 11.32 H new ATOM 0 HD13 ILE A 43 6.355 -3.563 18.149 1.00 11.32 H new ATOM 685 N THR A 44 9.292 -8.714 18.175 1.00 71.02 N ATOM 686 CA THR A 44 10.197 -9.546 18.981 1.00 45.43 C ATOM 687 C THR A 44 10.755 -8.762 20.192 1.00 70.34 C ATOM 688 O THR A 44 10.776 -7.531 20.188 1.00 75.23 O ATOM 689 CB THR A 44 11.356 -10.099 18.113 1.00 51.23 C ATOM 690 OG1 THR A 44 10.852 -10.507 16.828 1.00 44.54 O ATOM 691 CG2 THR A 44 12.030 -11.293 18.785 1.00 0.11 C ATOM 0 H THR A 44 9.730 -8.288 17.358 1.00 71.02 H new ATOM 0 HA THR A 44 9.618 -10.387 19.363 1.00 45.43 H new ATOM 0 HB THR A 44 12.092 -9.304 17.993 1.00 51.23 H new ATOM 0 HG1 THR A 44 11.589 -10.854 16.283 1.00 44.54 H new ATOM 0 HG21 THR A 44 12.839 -11.658 18.152 1.00 0.11 H new ATOM 0 HG22 THR A 44 12.435 -10.987 19.750 1.00 0.11 H new ATOM 0 HG23 THR A 44 11.299 -12.087 18.934 1.00 0.11 H new ATOM 699 N LYS A 45 11.240 -9.487 21.208 1.00 74.23 N ATOM 700 CA LYS A 45 11.495 -8.916 22.548 1.00 41.34 C ATOM 701 C LYS A 45 12.427 -7.679 22.555 1.00 23.35 C ATOM 702 O LYS A 45 12.114 -6.668 23.184 1.00 14.43 O ATOM 703 CB LYS A 45 12.097 -10.005 23.452 1.00 73.22 C ATOM 704 CG LYS A 45 13.490 -10.461 23.022 1.00 21.42 C ATOM 705 CD LYS A 45 14.004 -11.624 23.861 1.00 45.44 C ATOM 706 CE LYS A 45 15.471 -11.918 23.564 1.00 21.34 C ATOM 707 NZ LYS A 45 15.730 -12.123 22.112 1.00 74.32 N1+ ATOM 0 H LYS A 45 11.467 -10.478 21.132 1.00 74.23 H new ATOM 0 HA LYS A 45 10.530 -8.569 22.917 1.00 41.34 H new ATOM 0 HB2 LYS A 45 12.147 -9.629 24.474 1.00 73.22 H new ATOM 0 HB3 LYS A 45 11.429 -10.867 23.461 1.00 73.22 H new ATOM 0 HG2 LYS A 45 13.465 -10.756 21.973 1.00 21.42 H new ATOM 0 HG3 LYS A 45 14.184 -9.624 23.101 1.00 21.42 H new ATOM 0 HD2 LYS A 45 13.885 -11.392 24.919 1.00 45.44 H new ATOM 0 HD3 LYS A 45 13.405 -12.512 23.660 1.00 45.44 H new ATOM 0 HE2 LYS A 45 16.084 -11.092 23.926 1.00 21.34 H new ATOM 0 HE3 LYS A 45 15.778 -12.808 24.114 1.00 21.34 H new ATOM 0 HZ1 LYS A 45 16.684 -12.516 21.982 1.00 74.32 H new ATOM 0 HZ2 LYS A 45 15.027 -12.784 21.724 1.00 74.32 H new ATOM 0 HZ3 LYS A 45 15.660 -11.212 21.615 1.00 74.32 H new ATOM 721 N GLU A 46 13.555 -7.751 21.852 1.00 2.32 N ATOM 722 CA GLU A 46 14.555 -6.667 21.883 1.00 65.33 C ATOM 723 C GLU A 46 14.042 -5.392 21.199 1.00 43.10 C ATOM 724 O GLU A 46 14.388 -4.276 21.599 1.00 43.50 O ATOM 725 CB GLU A 46 15.910 -7.109 21.288 1.00 15.22 C ATOM 726 CG GLU A 46 15.866 -7.604 19.846 1.00 2.01 C ATOM 727 CD GLU A 46 15.150 -8.933 19.705 1.00 13.03 C ATOM 728 OE1 GLU A 46 14.020 -8.946 19.188 1.00 65.44 O ATOM 729 OE2 GLU A 46 15.702 -9.964 20.152 1.00 70.14 O1- ATOM 0 H GLU A 46 13.806 -8.540 21.255 1.00 2.32 H new ATOM 0 HA GLU A 46 14.721 -6.432 22.934 1.00 65.33 H new ATOM 0 HB2 GLU A 46 16.602 -6.269 21.344 1.00 15.22 H new ATOM 0 HB3 GLU A 46 16.320 -7.902 21.913 1.00 15.22 H new ATOM 0 HG2 GLU A 46 15.367 -6.860 19.226 1.00 2.01 H new ATOM 0 HG3 GLU A 46 16.884 -7.703 19.469 1.00 2.01 H new ATOM 736 N ALA A 47 13.204 -5.562 20.180 1.00 44.00 N ATOM 737 CA ALA A 47 12.667 -4.433 19.417 1.00 23.24 C ATOM 738 C ALA A 47 11.928 -3.427 20.319 1.00 63.55 C ATOM 739 O ALA A 47 11.964 -2.220 20.069 1.00 14.11 O ATOM 740 CB ALA A 47 11.745 -4.937 18.313 1.00 53.33 C ATOM 0 H ALA A 47 12.879 -6.475 19.860 1.00 44.00 H new ATOM 0 HA ALA A 47 13.510 -3.907 18.968 1.00 23.24 H new ATOM 0 HB1 ALA A 47 11.352 -4.089 17.752 1.00 53.33 H new ATOM 0 HB2 ALA A 47 12.304 -5.588 17.641 1.00 53.33 H new ATOM 0 HB3 ALA A 47 10.919 -5.494 18.755 1.00 53.33 H new ATOM 746 N LEU A 48 11.272 -3.918 21.375 1.00 55.14 N ATOM 747 CA LEU A 48 10.530 -3.035 22.289 1.00 72.03 C ATOM 748 C LEU A 48 11.455 -1.983 22.932 1.00 43.53 C ATOM 749 O LEU A 48 11.135 -0.796 22.949 1.00 44.14 O ATOM 750 CB LEU A 48 9.837 -3.848 23.403 1.00 54.30 C ATOM 751 CG LEU A 48 8.615 -4.694 22.986 1.00 53.20 C ATOM 752 CD1 LEU A 48 7.556 -3.832 22.305 1.00 30.43 C ATOM 753 CD2 LEU A 48 9.024 -5.861 22.094 1.00 33.44 C ATOM 0 H LEU A 48 11.237 -4.908 21.619 1.00 55.14 H new ATOM 0 HA LEU A 48 9.775 -2.523 21.692 1.00 72.03 H new ATOM 0 HB2 LEU A 48 10.576 -4.514 23.848 1.00 54.30 H new ATOM 0 HB3 LEU A 48 9.521 -3.156 24.183 1.00 54.30 H new ATOM 0 HG LEU A 48 8.178 -5.109 23.894 1.00 53.20 H new ATOM 0 HD11 LEU A 48 6.707 -4.454 22.022 1.00 30.43 H new ATOM 0 HD12 LEU A 48 7.223 -3.054 22.992 1.00 30.43 H new ATOM 0 HD13 LEU A 48 7.981 -3.371 21.413 1.00 30.43 H new ATOM 0 HD21 LEU A 48 8.140 -6.436 21.819 1.00 33.44 H new ATOM 0 HD22 LEU A 48 9.504 -5.479 21.193 1.00 33.44 H new ATOM 0 HD23 LEU A 48 9.721 -6.503 22.632 1.00 33.44 H new ATOM 765 N GLU A 49 12.599 -2.417 23.455 1.00 40.53 N ATOM 766 CA GLU A 49 13.587 -1.483 24.021 1.00 52.32 C ATOM 767 C GLU A 49 14.349 -0.713 22.931 1.00 52.23 C ATOM 768 O GLU A 49 14.569 0.494 23.044 1.00 4.13 O ATOM 769 CB GLU A 49 14.581 -2.214 24.934 1.00 13.23 C ATOM 770 CG GLU A 49 13.940 -2.820 26.177 1.00 72.43 C ATOM 771 CD GLU A 49 14.963 -3.295 27.199 1.00 41.23 C ATOM 772 OE1 GLU A 49 15.109 -2.635 28.253 1.00 22.22 O ATOM 773 OE2 GLU A 49 15.634 -4.320 26.953 1.00 71.13 O1- ATOM 0 H GLU A 49 12.870 -3.399 23.502 1.00 40.53 H new ATOM 0 HA GLU A 49 13.026 -0.760 24.613 1.00 52.32 H new ATOM 0 HB2 GLU A 49 15.069 -3.005 24.365 1.00 13.23 H new ATOM 0 HB3 GLU A 49 15.360 -1.516 25.241 1.00 13.23 H new ATOM 0 HG2 GLU A 49 13.287 -2.080 26.640 1.00 72.43 H new ATOM 0 HG3 GLU A 49 13.311 -3.660 25.882 1.00 72.43 H new ATOM 780 N GLU A 50 14.749 -1.428 21.882 1.00 10.10 N ATOM 781 CA GLU A 50 15.612 -0.872 20.829 1.00 32.23 C ATOM 782 C GLU A 50 14.969 0.326 20.107 1.00 15.12 C ATOM 783 O GLU A 50 15.546 1.415 20.043 1.00 24.12 O ATOM 784 CB GLU A 50 15.940 -1.976 19.810 1.00 45.20 C ATOM 785 CG GLU A 50 16.906 -1.557 18.704 1.00 44.24 C ATOM 786 CD GLU A 50 18.288 -1.206 19.234 1.00 21.21 C ATOM 787 OE1 GLU A 50 19.033 -2.131 19.623 1.00 21.24 O ATOM 788 OE2 GLU A 50 18.639 -0.003 19.262 1.00 13.01 O1- ATOM 0 H GLU A 50 14.489 -2.403 21.733 1.00 10.10 H new ATOM 0 HA GLU A 50 16.521 -0.507 21.307 1.00 32.23 H new ATOM 0 HB2 GLU A 50 16.365 -2.828 20.341 1.00 45.20 H new ATOM 0 HB3 GLU A 50 15.011 -2.317 19.353 1.00 45.20 H new ATOM 0 HG2 GLU A 50 16.994 -2.366 17.979 1.00 44.24 H new ATOM 0 HG3 GLU A 50 16.495 -0.697 18.175 1.00 44.24 H new ATOM 795 N THR A 51 13.772 0.123 19.565 1.00 12.32 N ATOM 796 CA THR A 51 13.082 1.171 18.799 1.00 30.14 C ATOM 797 C THR A 51 11.803 1.673 19.489 1.00 23.10 C ATOM 798 O THR A 51 11.021 2.419 18.894 1.00 0.23 O ATOM 799 CB THR A 51 12.774 0.700 17.357 1.00 2.40 C ATOM 800 OG1 THR A 51 12.301 -0.653 17.363 1.00 25.23 O ATOM 801 CG2 THR A 51 14.012 0.798 16.476 1.00 42.55 C ATOM 0 H THR A 51 13.256 -0.754 19.638 1.00 12.32 H new ATOM 0 HA THR A 51 13.769 2.016 18.752 1.00 30.14 H new ATOM 0 HB THR A 51 12.001 1.352 16.952 1.00 2.40 H new ATOM 0 HG1 THR A 51 12.109 -0.936 16.445 1.00 25.23 H new ATOM 0 HG21 THR A 51 13.769 0.461 15.468 1.00 42.55 H new ATOM 0 HG22 THR A 51 14.352 1.833 16.441 1.00 42.55 H new ATOM 0 HG23 THR A 51 14.802 0.170 16.888 1.00 42.55 H new ATOM 809 N ARG A 52 11.593 1.254 20.743 1.00 74.43 N ATOM 810 CA ARG A 52 10.532 1.817 21.597 1.00 15.43 C ATOM 811 C ARG A 52 9.111 1.470 21.090 1.00 44.15 C ATOM 812 O ARG A 52 8.197 2.297 21.120 1.00 23.54 O ATOM 813 CB ARG A 52 10.733 3.339 21.716 1.00 24.12 C ATOM 814 CG ARG A 52 9.904 4.008 22.808 1.00 45.31 C ATOM 815 CD ARG A 52 10.339 5.451 23.032 1.00 65.40 C ATOM 816 NE ARG A 52 11.726 5.533 23.492 1.00 42.11 N ATOM 817 CZ ARG A 52 12.546 6.512 23.214 1.00 45.34 C ATOM 818 NH1 ARG A 52 12.165 7.517 22.492 1.00 61.21 N1+ ATOM 819 NH2 ARG A 52 13.754 6.476 23.664 1.00 14.32 N ATOM 0 H ARG A 52 12.145 0.524 21.193 1.00 74.43 H new ATOM 0 HA ARG A 52 10.612 1.362 22.584 1.00 15.43 H new ATOM 0 HB2 ARG A 52 11.788 3.539 21.906 1.00 24.12 H new ATOM 0 HB3 ARG A 52 10.488 3.800 20.759 1.00 24.12 H new ATOM 0 HG2 ARG A 52 8.850 3.983 22.533 1.00 45.31 H new ATOM 0 HG3 ARG A 52 10.004 3.448 23.738 1.00 45.31 H new ATOM 0 HD2 ARG A 52 10.230 6.012 22.104 1.00 65.40 H new ATOM 0 HD3 ARG A 52 9.684 5.919 23.767 1.00 65.40 H new ATOM 0 HE ARG A 52 12.078 4.771 24.071 1.00 42.11 H new ATOM 0 HH11 ARG A 52 11.212 7.553 22.131 1.00 61.21 H new ATOM 0 HH12 ARG A 52 12.818 8.273 22.285 1.00 61.21 H new ATOM 0 HH21 ARG A 52 14.063 5.687 24.232 1.00 14.32 H new ATOM 0 HH22 ARG A 52 14.400 7.236 23.452 1.00 14.32 H new ATOM 833 N LEU A 53 8.926 0.226 20.644 1.00 44.32 N ATOM 834 CA LEU A 53 7.604 -0.254 20.200 1.00 70.04 C ATOM 835 C LEU A 53 6.603 -0.400 21.364 1.00 62.40 C ATOM 836 O LEU A 53 5.426 -0.683 21.143 1.00 42.14 O ATOM 837 CB LEU A 53 7.732 -1.591 19.447 1.00 31.15 C ATOM 838 CG LEU A 53 8.060 -1.480 17.948 1.00 23.03 C ATOM 839 CD1 LEU A 53 6.948 -0.742 17.206 1.00 31.00 C ATOM 840 CD2 LEU A 53 9.400 -0.789 17.732 1.00 2.24 C ATOM 0 H LEU A 53 9.669 -0.470 20.578 1.00 44.32 H new ATOM 0 HA LEU A 53 7.210 0.506 19.525 1.00 70.04 H new ATOM 0 HB2 LEU A 53 8.509 -2.185 19.928 1.00 31.15 H new ATOM 0 HB3 LEU A 53 6.797 -2.140 19.556 1.00 31.15 H new ATOM 0 HG LEU A 53 8.132 -2.490 17.543 1.00 23.03 H new ATOM 0 HD11 LEU A 53 7.200 -0.674 16.148 1.00 31.00 H new ATOM 0 HD12 LEU A 53 6.010 -1.285 17.322 1.00 31.00 H new ATOM 0 HD13 LEU A 53 6.839 0.261 17.618 1.00 31.00 H new ATOM 0 HD21 LEU A 53 9.608 -0.724 16.664 1.00 2.24 H new ATOM 0 HD22 LEU A 53 9.365 0.214 18.157 1.00 2.24 H new ATOM 0 HD23 LEU A 53 10.188 -1.362 18.220 1.00 2.24 H new ATOM 852 N GLY A 54 7.068 -0.201 22.596 1.00 31.32 N ATOM 853 CA GLY A 54 6.184 -0.242 23.759 1.00 53.20 C ATOM 854 C GLY A 54 5.051 0.777 23.670 1.00 51.15 C ATOM 855 O GLY A 54 3.958 0.558 24.200 1.00 42.22 O ATOM 0 H GLY A 54 8.046 -0.011 22.814 1.00 31.32 H new ATOM 0 HA2 GLY A 54 5.762 -1.242 23.855 1.00 53.20 H new ATOM 0 HA3 GLY A 54 6.767 -0.054 24.661 1.00 53.20 H new ATOM 859 N LYS A 55 5.327 1.898 23.005 1.00 25.52 N ATOM 860 CA LYS A 55 4.336 2.958 22.789 1.00 55.42 C ATOM 861 C LYS A 55 3.086 2.412 22.072 1.00 4.31 C ATOM 862 O LYS A 55 1.963 2.848 22.338 1.00 54.14 O ATOM 863 CB LYS A 55 4.963 4.085 21.956 1.00 32.04 C ATOM 864 CG LYS A 55 4.105 5.340 21.859 1.00 72.05 C ATOM 865 CD LYS A 55 4.700 6.358 20.888 1.00 34.32 C ATOM 866 CE LYS A 55 3.952 7.686 20.928 1.00 34.31 C ATOM 867 NZ LYS A 55 4.140 8.390 22.226 1.00 65.32 N1+ ATOM 0 H LYS A 55 6.241 2.099 22.600 1.00 25.52 H new ATOM 0 HA LYS A 55 4.028 3.345 23.760 1.00 55.42 H new ATOM 0 HB2 LYS A 55 5.927 4.350 22.391 1.00 32.04 H new ATOM 0 HB3 LYS A 55 5.158 3.713 20.950 1.00 32.04 H new ATOM 0 HG2 LYS A 55 3.101 5.070 21.533 1.00 72.05 H new ATOM 0 HG3 LYS A 55 4.009 5.792 22.846 1.00 72.05 H new ATOM 0 HD2 LYS A 55 5.749 6.524 21.134 1.00 34.32 H new ATOM 0 HD3 LYS A 55 4.670 5.955 19.876 1.00 34.32 H new ATOM 0 HE2 LYS A 55 4.300 8.324 20.115 1.00 34.31 H new ATOM 0 HE3 LYS A 55 2.889 7.509 20.761 1.00 34.31 H new ATOM 0 HZ1 LYS A 55 3.824 9.377 22.135 1.00 65.32 H new ATOM 0 HZ2 LYS A 55 3.582 7.914 22.963 1.00 65.32 H new ATOM 0 HZ3 LYS A 55 5.146 8.372 22.488 1.00 65.32 H new ATOM 881 N LEU A 56 3.294 1.437 21.181 1.00 12.01 N ATOM 882 CA LEU A 56 2.192 0.793 20.450 1.00 24.32 C ATOM 883 C LEU A 56 1.161 0.224 21.438 1.00 24.33 C ATOM 884 O LEU A 56 -0.046 0.318 21.216 1.00 20.22 O ATOM 885 CB LEU A 56 2.755 -0.323 19.542 1.00 42.43 C ATOM 886 CG LEU A 56 1.790 -0.925 18.489 1.00 2.03 C ATOM 887 CD1 LEU A 56 2.576 -1.673 17.414 1.00 4.23 C ATOM 888 CD2 LEU A 56 0.765 -1.865 19.130 1.00 43.35 C ATOM 0 H LEU A 56 4.218 1.074 20.946 1.00 12.01 H new ATOM 0 HA LEU A 56 1.691 1.533 19.826 1.00 24.32 H new ATOM 0 HB2 LEU A 56 3.625 0.073 19.018 1.00 42.43 H new ATOM 0 HB3 LEU A 56 3.109 -1.133 20.180 1.00 42.43 H new ATOM 0 HG LEU A 56 1.248 -0.097 18.033 1.00 2.03 H new ATOM 0 HD11 LEU A 56 1.885 -2.090 16.682 1.00 4.23 H new ATOM 0 HD12 LEU A 56 3.259 -0.984 16.917 1.00 4.23 H new ATOM 0 HD13 LEU A 56 3.146 -2.479 17.875 1.00 4.23 H new ATOM 0 HD21 LEU A 56 0.107 -2.266 18.359 1.00 43.35 H new ATOM 0 HD22 LEU A 56 1.284 -2.685 19.627 1.00 43.35 H new ATOM 0 HD23 LEU A 56 0.173 -1.314 19.861 1.00 43.35 H new ATOM 900 N ILE A 57 1.654 -0.340 22.543 1.00 31.32 N ATOM 901 CA ILE A 57 0.789 -0.907 23.582 1.00 72.25 C ATOM 902 C ILE A 57 -0.157 0.157 24.161 1.00 24.12 C ATOM 903 O ILE A 57 -1.333 -0.111 24.396 1.00 53.10 O ATOM 904 CB ILE A 57 1.625 -1.531 24.732 1.00 44.32 C ATOM 905 CG1 ILE A 57 2.553 -2.630 24.184 1.00 75.32 C ATOM 906 CG2 ILE A 57 0.712 -2.089 25.825 1.00 4.52 C ATOM 907 CD1 ILE A 57 3.432 -3.279 25.236 1.00 24.34 C ATOM 0 H ILE A 57 2.651 -0.417 22.742 1.00 31.32 H new ATOM 0 HA ILE A 57 0.196 -1.690 23.109 1.00 72.25 H new ATOM 0 HB ILE A 57 2.241 -0.748 25.174 1.00 44.32 H new ATOM 0 HG12 ILE A 57 1.945 -3.400 23.708 1.00 75.32 H new ATOM 0 HG13 ILE A 57 3.188 -2.201 23.409 1.00 75.32 H new ATOM 0 HG21 ILE A 57 1.319 -2.521 26.621 1.00 4.52 H new ATOM 0 HG22 ILE A 57 0.099 -1.285 26.232 1.00 4.52 H new ATOM 0 HG23 ILE A 57 0.067 -2.859 25.402 1.00 4.52 H new ATOM 0 HD11 ILE A 57 4.055 -4.042 24.769 1.00 24.34 H new ATOM 0 HD12 ILE A 57 4.068 -2.523 25.696 1.00 24.34 H new ATOM 0 HD13 ILE A 57 2.806 -3.740 26.000 1.00 24.34 H new ATOM 919 N ASN A 58 0.365 1.366 24.370 1.00 55.45 N ATOM 920 CA ASN A 58 -0.434 2.479 24.899 1.00 21.20 C ATOM 921 C ASN A 58 -1.542 2.887 23.911 1.00 60.20 C ATOM 922 O ASN A 58 -2.714 3.008 24.282 1.00 15.55 O ATOM 923 CB ASN A 58 0.478 3.682 25.198 1.00 3.23 C ATOM 924 CG ASN A 58 -0.276 4.890 25.734 1.00 75.14 C ATOM 925 OD1 ASN A 58 -1.276 4.763 26.436 1.00 14.02 O ATOM 926 ND2 ASN A 58 0.193 6.077 25.399 1.00 23.21 N ATOM 0 H ASN A 58 1.339 1.603 24.182 1.00 55.45 H new ATOM 0 HA ASN A 58 -0.911 2.149 25.822 1.00 21.20 H new ATOM 0 HB2 ASN A 58 1.235 3.384 25.923 1.00 3.23 H new ATOM 0 HB3 ASN A 58 1.004 3.966 24.286 1.00 3.23 H new ATOM 0 HD21 ASN A 58 -0.277 6.922 25.725 1.00 23.21 H new ATOM 0 HD22 ASN A 58 1.026 6.150 24.815 1.00 23.21 H new ATOM 933 N ASP A 59 -1.165 3.081 22.650 1.00 0.44 N ATOM 934 CA ASP A 59 -2.104 3.530 21.623 1.00 14.32 C ATOM 935 C ASP A 59 -3.202 2.492 21.316 1.00 53.33 C ATOM 936 O ASP A 59 -4.381 2.842 21.218 1.00 41.32 O ATOM 937 CB ASP A 59 -1.339 3.901 20.348 1.00 73.45 C ATOM 938 CG ASP A 59 -0.691 5.274 20.452 1.00 75.32 C ATOM 939 OD1 ASP A 59 0.366 5.400 21.100 1.00 13.43 O ATOM 940 OD2 ASP A 59 -1.264 6.242 19.909 1.00 30.31 O1- ATOM 0 H ASP A 59 -0.214 2.934 22.313 1.00 0.44 H new ATOM 0 HA ASP A 59 -2.615 4.409 22.015 1.00 14.32 H new ATOM 0 HB2 ASP A 59 -0.572 3.152 20.154 1.00 73.45 H new ATOM 0 HB3 ASP A 59 -2.021 3.885 19.498 1.00 73.45 H new ATOM 945 N VAL A 60 -2.830 1.220 21.195 1.00 31.04 N ATOM 946 CA VAL A 60 -3.807 0.163 20.888 1.00 24.21 C ATOM 947 C VAL A 60 -4.719 -0.131 22.093 1.00 50.21 C ATOM 948 O VAL A 60 -5.861 -0.558 21.937 1.00 33.35 O ATOM 949 CB VAL A 60 -3.110 -1.151 20.436 1.00 71.31 C ATOM 950 CG1 VAL A 60 -2.325 -1.785 21.583 1.00 12.21 C ATOM 951 CG2 VAL A 60 -4.122 -2.141 19.856 1.00 4.50 C ATOM 0 H VAL A 60 -1.870 0.892 21.302 1.00 31.04 H new ATOM 0 HA VAL A 60 -4.417 0.536 20.066 1.00 24.21 H new ATOM 0 HB VAL A 60 -2.402 -0.893 19.649 1.00 71.31 H new ATOM 0 HG11 VAL A 60 -1.849 -2.702 21.235 1.00 12.21 H new ATOM 0 HG12 VAL A 60 -1.561 -1.089 21.930 1.00 12.21 H new ATOM 0 HG13 VAL A 60 -3.004 -2.017 22.404 1.00 12.21 H new ATOM 0 HG21 VAL A 60 -3.606 -3.050 19.548 1.00 4.50 H new ATOM 0 HG22 VAL A 60 -4.867 -2.385 20.613 1.00 4.50 H new ATOM 0 HG23 VAL A 60 -4.615 -1.694 18.993 1.00 4.50 H new ATOM 961 N ARG A 61 -4.207 0.127 23.292 1.00 53.45 N ATOM 962 CA ARG A 61 -4.926 -0.168 24.538 1.00 52.32 C ATOM 963 C ARG A 61 -6.152 0.745 24.738 1.00 5.32 C ATOM 964 O ARG A 61 -7.253 0.271 25.026 1.00 44.15 O ATOM 965 CB ARG A 61 -3.943 -0.005 25.703 1.00 34.43 C ATOM 966 CG ARG A 61 -4.497 -0.309 27.090 1.00 52.20 C ATOM 967 CD ARG A 61 -3.398 -0.157 28.140 1.00 55.14 C ATOM 968 NE ARG A 61 -3.864 -0.407 29.499 1.00 53.04 N ATOM 969 CZ ARG A 61 -3.098 -0.343 30.557 1.00 25.20 C ATOM 970 NH1 ARG A 61 -1.844 -0.031 30.452 1.00 41.42 N1+ ATOM 971 NH2 ARG A 61 -3.598 -0.562 31.728 1.00 40.04 N ATOM 0 H ARG A 61 -3.287 0.544 23.433 1.00 53.45 H new ATOM 0 HA ARG A 61 -5.307 -1.188 24.491 1.00 52.32 H new ATOM 0 HB2 ARG A 61 -3.087 -0.656 25.524 1.00 34.43 H new ATOM 0 HB3 ARG A 61 -3.571 1.020 25.698 1.00 34.43 H new ATOM 0 HG2 ARG A 61 -5.322 0.366 27.316 1.00 52.20 H new ATOM 0 HG3 ARG A 61 -4.898 -1.322 27.116 1.00 52.20 H new ATOM 0 HD2 ARG A 61 -2.586 -0.846 27.909 1.00 55.14 H new ATOM 0 HD3 ARG A 61 -2.987 0.851 28.083 1.00 55.14 H new ATOM 0 HE ARG A 61 -4.847 -0.646 29.632 1.00 53.04 H new ATOM 0 HH11 ARG A 61 -1.443 0.168 29.536 1.00 41.42 H new ATOM 0 HH12 ARG A 61 -1.258 0.015 31.286 1.00 41.42 H new ATOM 0 HH21 ARG A 61 -4.589 -0.784 31.826 1.00 40.04 H new ATOM 0 HH22 ARG A 61 -3.002 -0.513 32.554 1.00 40.04 H new ATOM 985 N LYS A 62 -5.952 2.054 24.601 1.00 24.33 N ATOM 986 CA LYS A 62 -7.036 3.031 24.795 1.00 25.40 C ATOM 987 C LYS A 62 -7.802 3.353 23.492 1.00 73.14 C ATOM 988 O LYS A 62 -9.012 3.588 23.511 1.00 4.03 O ATOM 989 CB LYS A 62 -6.457 4.327 25.382 1.00 32.12 C ATOM 990 CG LYS A 62 -7.497 5.421 25.619 1.00 42.52 C ATOM 991 CD LYS A 62 -6.869 6.696 26.175 1.00 53.54 C ATOM 992 CE LYS A 62 -7.900 7.807 26.339 1.00 3.32 C ATOM 993 NZ LYS A 62 -8.515 8.194 25.042 1.00 22.34 N1+ ATOM 0 H LYS A 62 -5.053 2.468 24.357 1.00 24.33 H new ATOM 0 HA LYS A 62 -7.752 2.581 25.482 1.00 25.40 H new ATOM 0 HB2 LYS A 62 -5.964 4.097 26.327 1.00 32.12 H new ATOM 0 HB3 LYS A 62 -5.691 4.709 24.707 1.00 32.12 H new ATOM 0 HG2 LYS A 62 -8.006 5.646 24.682 1.00 42.52 H new ATOM 0 HG3 LYS A 62 -8.254 5.057 26.314 1.00 42.52 H new ATOM 0 HD2 LYS A 62 -6.407 6.484 27.139 1.00 53.54 H new ATOM 0 HD3 LYS A 62 -6.075 7.032 25.508 1.00 53.54 H new ATOM 0 HE2 LYS A 62 -8.680 7.479 27.026 1.00 3.32 H new ATOM 0 HE3 LYS A 62 -7.425 8.679 26.789 1.00 3.32 H new ATOM 0 HZ1 LYS A 62 -9.009 9.103 25.150 1.00 22.34 H new ATOM 0 HZ2 LYS A 62 -7.773 8.287 24.320 1.00 22.34 H new ATOM 0 HZ3 LYS A 62 -9.194 7.463 24.748 1.00 22.34 H new ATOM 1007 N LYS A 63 -7.087 3.380 22.369 1.00 23.23 N ATOM 1008 CA LYS A 63 -7.627 3.922 21.108 1.00 43.43 C ATOM 1009 C LYS A 63 -7.959 2.854 20.044 1.00 10.52 C ATOM 1010 O LYS A 63 -8.134 3.188 18.872 1.00 1.34 O ATOM 1011 CB LYS A 63 -6.644 4.960 20.552 1.00 41.41 C ATOM 1012 CG LYS A 63 -6.633 6.260 21.356 1.00 20.22 C ATOM 1013 CD LYS A 63 -5.339 7.044 21.174 1.00 11.11 C ATOM 1014 CE LYS A 63 -4.158 6.310 21.796 1.00 35.31 C ATOM 1015 NZ LYS A 63 -2.900 7.089 21.720 1.00 3.01 N1+ ATOM 0 H LYS A 63 -6.130 3.034 22.299 1.00 23.23 H new ATOM 0 HA LYS A 63 -8.585 4.385 21.346 1.00 43.43 H new ATOM 0 HB2 LYS A 63 -5.640 4.535 20.545 1.00 41.41 H new ATOM 0 HB3 LYS A 63 -6.904 5.181 19.517 1.00 41.41 H new ATOM 0 HG2 LYS A 63 -7.476 6.880 21.051 1.00 20.22 H new ATOM 0 HG3 LYS A 63 -6.771 6.032 22.413 1.00 20.22 H new ATOM 0 HD2 LYS A 63 -5.153 7.203 20.112 1.00 11.11 H new ATOM 0 HD3 LYS A 63 -5.440 8.029 21.631 1.00 11.11 H new ATOM 0 HE2 LYS A 63 -4.381 6.088 22.840 1.00 35.31 H new ATOM 0 HE3 LYS A 63 -4.021 5.355 21.289 1.00 35.31 H new ATOM 0 HZ1 LYS A 63 -2.361 6.966 22.601 1.00 3.01 H new ATOM 0 HZ2 LYS A 63 -2.331 6.753 20.917 1.00 3.01 H new ATOM 0 HZ3 LYS A 63 -3.123 8.096 21.589 1.00 3.01 H new ATOM 1029 N THR A 64 -8.055 1.585 20.438 1.00 72.32 N ATOM 1030 CA THR A 64 -8.420 0.518 19.484 1.00 11.51 C ATOM 1031 C THR A 64 -9.842 0.712 18.926 1.00 64.32 C ATOM 1032 O THR A 64 -10.662 1.425 19.514 1.00 2.00 O ATOM 1033 CB THR A 64 -8.333 -0.893 20.118 1.00 10.34 C ATOM 1034 OG1 THR A 64 -8.695 -1.895 19.150 1.00 2.21 O ATOM 1035 CG2 THR A 64 -9.243 -1.014 21.339 1.00 61.13 C ATOM 0 H THR A 64 -7.890 1.266 21.393 1.00 72.32 H new ATOM 0 HA THR A 64 -7.695 0.591 18.674 1.00 11.51 H new ATOM 0 HB THR A 64 -7.303 -1.047 20.440 1.00 10.34 H new ATOM 0 HG1 THR A 64 -9.236 -2.588 19.583 1.00 2.21 H new ATOM 0 HG21 THR A 64 -9.157 -2.016 21.759 1.00 61.13 H new ATOM 0 HG22 THR A 64 -8.946 -0.280 22.088 1.00 61.13 H new ATOM 0 HG23 THR A 64 -10.276 -0.832 21.042 1.00 61.13 H new ATOM 1043 N LYS A 65 -10.131 0.063 17.794 1.00 1.21 N ATOM 1044 CA LYS A 65 -11.442 0.185 17.137 1.00 51.34 C ATOM 1045 C LYS A 65 -12.586 -0.246 18.069 1.00 4.32 C ATOM 1046 O LYS A 65 -13.548 0.495 18.283 1.00 50.10 O ATOM 1047 CB LYS A 65 -11.494 -0.670 15.857 1.00 24.44 C ATOM 1048 CG LYS A 65 -12.850 -0.614 15.150 1.00 41.11 C ATOM 1049 CD LYS A 65 -13.021 -1.723 14.109 1.00 41.04 C ATOM 1050 CE LYS A 65 -12.081 -1.565 12.918 1.00 24.44 C ATOM 1051 NZ LYS A 65 -12.304 -2.629 11.902 1.00 12.24 N1+ ATOM 0 H LYS A 65 -9.477 -0.553 17.311 1.00 1.21 H new ATOM 0 HA LYS A 65 -11.571 1.237 16.883 1.00 51.34 H new ATOM 0 HB2 LYS A 65 -10.719 -0.331 15.170 1.00 24.44 H new ATOM 0 HB3 LYS A 65 -11.266 -1.705 16.110 1.00 24.44 H new ATOM 0 HG2 LYS A 65 -13.645 -0.692 15.892 1.00 41.11 H new ATOM 0 HG3 LYS A 65 -12.962 0.355 14.664 1.00 41.11 H new ATOM 0 HD2 LYS A 65 -12.843 -2.689 14.581 1.00 41.04 H new ATOM 0 HD3 LYS A 65 -14.052 -1.727 13.755 1.00 41.04 H new ATOM 0 HE2 LYS A 65 -12.232 -0.587 12.461 1.00 24.44 H new ATOM 0 HE3 LYS A 65 -11.047 -1.600 13.262 1.00 24.44 H new ATOM 0 HZ1 LYS A 65 -11.435 -2.767 11.348 1.00 12.24 H new ATOM 0 HZ2 LYS A 65 -12.555 -3.518 12.380 1.00 12.24 H new ATOM 0 HZ3 LYS A 65 -13.078 -2.346 11.267 1.00 12.24 H new ATOM 1065 N ASN A 66 -12.471 -1.451 18.619 1.00 44.53 N ATOM 1066 CA ASN A 66 -13.519 -2.026 19.468 1.00 3.41 C ATOM 1067 C ASN A 66 -12.955 -2.426 20.840 1.00 13.40 C ATOM 1068 O ASN A 66 -11.887 -3.032 20.928 1.00 11.21 O ATOM 1069 CB ASN A 66 -14.139 -3.247 18.772 1.00 73.21 C ATOM 1070 CG ASN A 66 -15.306 -3.827 19.546 1.00 34.43 C ATOM 1071 OD1 ASN A 66 -15.135 -4.686 20.400 1.00 32.45 O ATOM 1072 ND2 ASN A 66 -16.501 -3.361 19.252 1.00 51.31 N ATOM 0 H ASN A 66 -11.658 -2.055 18.493 1.00 44.53 H new ATOM 0 HA ASN A 66 -14.290 -1.272 19.626 1.00 3.41 H new ATOM 0 HB2 ASN A 66 -14.475 -2.961 17.775 1.00 73.21 H new ATOM 0 HB3 ASN A 66 -13.375 -4.014 18.643 1.00 73.21 H new ATOM 0 HD21 ASN A 66 -17.322 -3.716 19.742 1.00 51.31 H new ATOM 0 HD22 ASN A 66 -16.606 -2.644 18.534 1.00 51.31 H new ATOM 1079 N GLU A 67 -13.678 -2.089 21.907 1.00 24.33 N ATOM 1080 CA GLU A 67 -13.235 -2.396 23.274 1.00 51.35 C ATOM 1081 C GLU A 67 -13.106 -3.911 23.519 1.00 51.14 C ATOM 1082 O GLU A 67 -12.158 -4.360 24.160 1.00 4.31 O ATOM 1083 CB GLU A 67 -14.194 -1.769 24.291 1.00 70.02 C ATOM 1084 CG GLU A 67 -14.151 -0.245 24.309 1.00 43.12 C ATOM 1085 CD GLU A 67 -15.260 0.364 25.150 1.00 32.55 C ATOM 1086 OE1 GLU A 67 -15.068 0.524 26.373 1.00 42.41 O ATOM 1087 OE2 GLU A 67 -16.326 0.689 24.584 1.00 45.42 O1- ATOM 0 H GLU A 67 -14.573 -1.603 21.855 1.00 24.33 H new ATOM 0 HA GLU A 67 -12.242 -1.966 23.400 1.00 51.35 H new ATOM 0 HB2 GLU A 67 -15.210 -2.093 24.068 1.00 70.02 H new ATOM 0 HB3 GLU A 67 -13.951 -2.143 25.286 1.00 70.02 H new ATOM 0 HG2 GLU A 67 -13.186 0.082 24.696 1.00 43.12 H new ATOM 0 HG3 GLU A 67 -14.228 0.128 23.288 1.00 43.12 H new ATOM 1094 N GLU A 68 -14.047 -4.702 23.000 1.00 73.22 N ATOM 1095 CA GLU A 68 -13.962 -6.165 23.124 1.00 33.20 C ATOM 1096 C GLU A 68 -12.741 -6.711 22.375 1.00 73.00 C ATOM 1097 O GLU A 68 -12.143 -7.710 22.780 1.00 52.22 O ATOM 1098 CB GLU A 68 -15.243 -6.847 22.621 1.00 33.11 C ATOM 1099 CG GLU A 68 -16.499 -6.427 23.377 1.00 71.32 C ATOM 1100 CD GLU A 68 -16.296 -6.407 24.887 1.00 23.01 C ATOM 1101 OE1 GLU A 68 -16.033 -7.475 25.474 1.00 32.20 O ATOM 1102 OE2 GLU A 68 -16.399 -5.320 25.496 1.00 44.42 O1- ATOM 0 H GLU A 68 -14.867 -4.364 22.496 1.00 73.22 H new ATOM 0 HA GLU A 68 -13.850 -6.394 24.184 1.00 33.20 H new ATOM 0 HB2 GLU A 68 -15.374 -6.620 21.563 1.00 33.11 H new ATOM 0 HB3 GLU A 68 -15.125 -7.927 22.703 1.00 33.11 H new ATOM 0 HG2 GLU A 68 -16.805 -5.436 23.042 1.00 71.32 H new ATOM 0 HG3 GLU A 68 -17.311 -7.111 23.133 1.00 71.32 H new ATOM 1109 N LEU A 69 -12.366 -6.039 21.291 1.00 22.54 N ATOM 1110 CA LEU A 69 -11.151 -6.387 20.550 1.00 2.42 C ATOM 1111 C LEU A 69 -9.925 -6.249 21.471 1.00 21.20 C ATOM 1112 O LEU A 69 -8.994 -7.049 21.405 1.00 20.31 O ATOM 1113 CB LEU A 69 -11.022 -5.487 19.301 1.00 74.15 C ATOM 1114 CG LEU A 69 -9.975 -5.911 18.243 1.00 73.30 C ATOM 1115 CD1 LEU A 69 -10.281 -5.250 16.900 1.00 54.53 C ATOM 1116 CD2 LEU A 69 -8.553 -5.556 18.686 1.00 74.45 C ATOM 0 H LEU A 69 -12.884 -5.250 20.904 1.00 22.54 H new ATOM 0 HA LEU A 69 -11.208 -7.422 20.214 1.00 2.42 H new ATOM 0 HB2 LEU A 69 -11.996 -5.438 18.815 1.00 74.15 H new ATOM 0 HB3 LEU A 69 -10.781 -4.477 19.633 1.00 74.15 H new ATOM 0 HG LEU A 69 -10.035 -6.994 18.135 1.00 73.30 H new ATOM 0 HD11 LEU A 69 -9.537 -5.557 16.165 1.00 54.53 H new ATOM 0 HD12 LEU A 69 -11.272 -5.554 16.562 1.00 54.53 H new ATOM 0 HD13 LEU A 69 -10.253 -4.166 17.013 1.00 54.53 H new ATOM 0 HD21 LEU A 69 -7.844 -5.868 17.919 1.00 74.45 H new ATOM 0 HD22 LEU A 69 -8.476 -4.479 18.834 1.00 74.45 H new ATOM 0 HD23 LEU A 69 -8.325 -6.068 19.621 1.00 74.45 H new ATOM 1128 N ALA A 70 -9.951 -5.242 22.348 1.00 4.43 N ATOM 1129 CA ALA A 70 -8.866 -5.017 23.315 1.00 64.51 C ATOM 1130 C ALA A 70 -8.658 -6.230 24.245 1.00 51.30 C ATOM 1131 O ALA A 70 -7.530 -6.527 24.645 1.00 31.22 O ATOM 1132 CB ALA A 70 -9.137 -3.757 24.134 1.00 50.20 C ATOM 0 H ALA A 70 -10.712 -4.566 22.411 1.00 4.43 H new ATOM 0 HA ALA A 70 -7.946 -4.882 22.747 1.00 64.51 H new ATOM 0 HB1 ALA A 70 -8.325 -3.604 24.845 1.00 50.20 H new ATOM 0 HB2 ALA A 70 -9.203 -2.897 23.468 1.00 50.20 H new ATOM 0 HB3 ALA A 70 -10.077 -3.870 24.675 1.00 50.20 H new ATOM 1138 N LYS A 71 -9.747 -6.922 24.596 1.00 65.11 N ATOM 1139 CA LYS A 71 -9.647 -8.158 25.391 1.00 43.04 C ATOM 1140 C LYS A 71 -8.865 -9.234 24.619 1.00 41.55 C ATOM 1141 O LYS A 71 -7.986 -9.901 25.169 1.00 15.12 O ATOM 1142 CB LYS A 71 -11.041 -8.706 25.768 1.00 71.13 C ATOM 1143 CG LYS A 71 -11.800 -7.891 26.821 1.00 11.00 C ATOM 1144 CD LYS A 71 -12.266 -6.535 26.293 1.00 52.01 C ATOM 1145 CE LYS A 71 -13.163 -5.808 27.293 1.00 54.44 C ATOM 1146 NZ LYS A 71 -14.425 -6.553 27.558 1.00 65.04 N1+ ATOM 0 H LYS A 71 -10.699 -6.654 24.347 1.00 65.11 H new ATOM 0 HA LYS A 71 -9.115 -7.910 26.309 1.00 43.04 H new ATOM 0 HB2 LYS A 71 -11.649 -8.759 24.865 1.00 71.13 H new ATOM 0 HB3 LYS A 71 -10.926 -9.726 26.135 1.00 71.13 H new ATOM 0 HG2 LYS A 71 -12.665 -8.461 27.162 1.00 11.00 H new ATOM 0 HG3 LYS A 71 -11.158 -7.738 27.688 1.00 11.00 H new ATOM 0 HD2 LYS A 71 -11.398 -5.916 26.068 1.00 52.01 H new ATOM 0 HD3 LYS A 71 -12.807 -6.677 25.357 1.00 52.01 H new ATOM 0 HE2 LYS A 71 -12.622 -5.667 28.229 1.00 54.44 H new ATOM 0 HE3 LYS A 71 -13.402 -4.816 26.911 1.00 54.44 H new ATOM 0 HZ1 LYS A 71 -15.175 -5.883 27.823 1.00 65.04 H new ATOM 0 HZ2 LYS A 71 -14.709 -7.070 26.702 1.00 65.04 H new ATOM 0 HZ3 LYS A 71 -14.273 -7.227 28.335 1.00 65.04 H new ATOM 1160 N ARG A 72 -9.186 -9.376 23.335 1.00 64.50 N ATOM 1161 CA ARG A 72 -8.514 -10.344 22.458 1.00 61.33 C ATOM 1162 C ARG A 72 -7.047 -9.939 22.216 1.00 43.42 C ATOM 1163 O ARG A 72 -6.150 -10.781 22.134 1.00 74.15 O ATOM 1164 CB ARG A 72 -9.265 -10.433 21.119 1.00 11.32 C ATOM 1165 CG ARG A 72 -8.833 -11.600 20.234 1.00 75.44 C ATOM 1166 CD ARG A 72 -9.271 -12.945 20.815 1.00 33.32 C ATOM 1167 NE ARG A 72 -8.856 -14.067 19.976 1.00 62.42 N ATOM 1168 CZ ARG A 72 -9.679 -14.927 19.439 1.00 63.23 C ATOM 1169 NH1 ARG A 72 -10.961 -14.814 19.606 1.00 4.51 N1+ ATOM 1170 NH2 ARG A 72 -9.217 -15.896 18.723 1.00 23.12 N ATOM 0 H ARG A 72 -9.913 -8.830 22.872 1.00 64.50 H new ATOM 0 HA ARG A 72 -8.521 -11.319 22.944 1.00 61.33 H new ATOM 0 HB2 ARG A 72 -10.333 -10.520 21.320 1.00 11.32 H new ATOM 0 HB3 ARG A 72 -9.118 -9.502 20.571 1.00 11.32 H new ATOM 0 HG2 ARG A 72 -9.259 -11.478 19.238 1.00 75.44 H new ATOM 0 HG3 ARG A 72 -7.749 -11.589 20.121 1.00 75.44 H new ATOM 0 HD2 ARG A 72 -8.849 -13.063 21.813 1.00 33.32 H new ATOM 0 HD3 ARG A 72 -10.355 -12.956 20.925 1.00 33.32 H new ATOM 0 HE ARG A 72 -7.859 -14.186 19.798 1.00 62.42 H new ATOM 0 HH11 ARG A 72 -11.337 -14.046 20.162 1.00 4.51 H new ATOM 0 HH12 ARG A 72 -11.592 -15.493 19.181 1.00 4.51 H new ATOM 0 HH21 ARG A 72 -8.212 -15.989 18.578 1.00 23.12 H new ATOM 0 HH22 ARG A 72 -9.857 -16.569 18.302 1.00 23.12 H new ATOM 1184 N ALA A 73 -6.825 -8.631 22.110 1.00 63.23 N ATOM 1185 CA ALA A 73 -5.491 -8.061 21.881 1.00 11.42 C ATOM 1186 C ALA A 73 -4.513 -8.372 23.025 1.00 14.32 C ATOM 1187 O ALA A 73 -3.311 -8.515 22.798 1.00 22.42 O ATOM 1188 CB ALA A 73 -5.599 -6.553 21.674 1.00 33.25 C ATOM 0 H ALA A 73 -7.564 -7.931 22.180 1.00 63.23 H new ATOM 0 HA ALA A 73 -5.088 -8.528 20.982 1.00 11.42 H new ATOM 0 HB1 ALA A 73 -4.606 -6.137 21.505 1.00 33.25 H new ATOM 0 HB2 ALA A 73 -6.230 -6.349 20.809 1.00 33.25 H new ATOM 0 HB3 ALA A 73 -6.038 -6.095 22.560 1.00 33.25 H new ATOM 1194 N LYS A 74 -5.030 -8.486 24.251 1.00 70.54 N ATOM 1195 CA LYS A 74 -4.181 -8.638 25.441 1.00 15.31 C ATOM 1196 C LYS A 74 -3.184 -9.807 25.302 1.00 44.32 C ATOM 1197 O LYS A 74 -2.037 -9.699 25.733 1.00 24.45 O ATOM 1198 CB LYS A 74 -5.038 -8.827 26.703 1.00 72.33 C ATOM 1199 CG LYS A 74 -4.220 -8.847 27.995 1.00 44.11 C ATOM 1200 CD LYS A 74 -5.066 -9.123 29.243 1.00 23.30 C ATOM 1201 CE LYS A 74 -5.999 -7.967 29.609 1.00 63.04 C ATOM 1202 NZ LYS A 74 -7.147 -7.837 28.676 1.00 50.24 N1+ ATOM 0 H LYS A 74 -6.031 -8.476 24.448 1.00 70.54 H new ATOM 0 HA LYS A 74 -3.603 -7.719 25.534 1.00 15.31 H new ATOM 0 HB2 LYS A 74 -5.772 -8.023 26.759 1.00 72.33 H new ATOM 0 HB3 LYS A 74 -5.594 -9.761 26.619 1.00 72.33 H new ATOM 0 HG2 LYS A 74 -3.445 -9.609 27.914 1.00 44.11 H new ATOM 0 HG3 LYS A 74 -3.714 -7.888 28.112 1.00 44.11 H new ATOM 0 HD2 LYS A 74 -5.660 -10.022 29.079 1.00 23.30 H new ATOM 0 HD3 LYS A 74 -4.404 -9.327 30.085 1.00 23.30 H new ATOM 0 HE2 LYS A 74 -6.374 -8.116 30.621 1.00 63.04 H new ATOM 0 HE3 LYS A 74 -5.432 -7.036 29.613 1.00 63.04 H new ATOM 0 HZ1 LYS A 74 -8.016 -7.657 29.218 1.00 50.24 H new ATOM 0 HZ2 LYS A 74 -6.976 -7.045 28.023 1.00 50.24 H new ATOM 0 HZ3 LYS A 74 -7.254 -8.717 28.132 1.00 50.24 H new ATOM 1216 N LYS A 75 -3.614 -10.920 24.703 1.00 41.03 N ATOM 1217 CA LYS A 75 -2.712 -12.061 24.464 1.00 5.14 C ATOM 1218 C LYS A 75 -1.498 -11.657 23.605 1.00 3.11 C ATOM 1219 O LYS A 75 -0.381 -12.133 23.826 1.00 23.15 O ATOM 1220 CB LYS A 75 -3.469 -13.225 23.803 1.00 35.12 C ATOM 1221 CG LYS A 75 -4.064 -14.227 24.794 1.00 4.11 C ATOM 1222 CD LYS A 75 -4.994 -13.566 25.811 1.00 1.12 C ATOM 1223 CE LYS A 75 -5.563 -14.582 26.794 1.00 21.43 C ATOM 1224 NZ LYS A 75 -6.501 -13.954 27.762 1.00 63.10 N1+ ATOM 0 H LYS A 75 -4.570 -11.060 24.376 1.00 41.03 H new ATOM 0 HA LYS A 75 -2.340 -12.390 25.434 1.00 5.14 H new ATOM 0 HB2 LYS A 75 -4.272 -12.819 23.187 1.00 35.12 H new ATOM 0 HB3 LYS A 75 -2.789 -13.752 23.134 1.00 35.12 H new ATOM 0 HG2 LYS A 75 -4.615 -14.991 24.246 1.00 4.11 H new ATOM 0 HG3 LYS A 75 -3.256 -14.734 25.322 1.00 4.11 H new ATOM 0 HD2 LYS A 75 -4.449 -12.796 26.357 1.00 1.12 H new ATOM 0 HD3 LYS A 75 -5.811 -13.068 25.288 1.00 1.12 H new ATOM 0 HE2 LYS A 75 -6.081 -15.368 26.244 1.00 21.43 H new ATOM 0 HE3 LYS A 75 -4.746 -15.058 27.337 1.00 21.43 H new ATOM 0 HZ1 LYS A 75 -6.865 -14.679 28.413 1.00 63.10 H new ATOM 0 HZ2 LYS A 75 -6.001 -13.222 28.305 1.00 63.10 H new ATOM 0 HZ3 LYS A 75 -7.294 -13.522 27.246 1.00 63.10 H new ATOM 1238 N LEU A 76 -1.717 -10.773 22.632 1.00 52.22 N ATOM 1239 CA LEU A 76 -0.621 -10.249 21.807 1.00 11.14 C ATOM 1240 C LEU A 76 0.351 -9.424 22.667 1.00 30.52 C ATOM 1241 O LEU A 76 1.569 -9.537 22.529 1.00 4.34 O ATOM 1242 CB LEU A 76 -1.172 -9.392 20.656 1.00 41.14 C ATOM 1243 CG LEU A 76 -2.131 -10.121 19.699 1.00 45.02 C ATOM 1244 CD1 LEU A 76 -2.655 -9.170 18.626 1.00 40.24 C ATOM 1245 CD2 LEU A 76 -1.446 -11.331 19.061 1.00 63.03 C ATOM 0 H LEU A 76 -2.638 -10.404 22.394 1.00 52.22 H new ATOM 0 HA LEU A 76 -0.079 -11.093 21.381 1.00 11.14 H new ATOM 0 HB2 LEU A 76 -1.691 -8.532 21.080 1.00 41.14 H new ATOM 0 HB3 LEU A 76 -0.333 -9.004 20.079 1.00 41.14 H new ATOM 0 HG LEU A 76 -2.981 -10.478 20.280 1.00 45.02 H new ATOM 0 HD11 LEU A 76 -3.331 -9.708 17.961 1.00 40.24 H new ATOM 0 HD12 LEU A 76 -3.190 -8.347 19.099 1.00 40.24 H new ATOM 0 HD13 LEU A 76 -1.818 -8.775 18.050 1.00 40.24 H new ATOM 0 HD21 LEU A 76 -2.143 -11.831 18.388 1.00 63.03 H new ATOM 0 HD22 LEU A 76 -0.573 -11.000 18.499 1.00 63.03 H new ATOM 0 HD23 LEU A 76 -1.133 -12.025 19.841 1.00 63.03 H new ATOM 1257 N LEU A 77 -0.202 -8.608 23.566 1.00 4.44 N ATOM 1258 CA LEU A 77 0.608 -7.830 24.516 1.00 54.11 C ATOM 1259 C LEU A 77 1.429 -8.759 25.429 1.00 21.51 C ATOM 1260 O LEU A 77 2.613 -8.520 25.674 1.00 34.01 O ATOM 1261 CB LEU A 77 -0.289 -6.911 25.368 1.00 32.45 C ATOM 1262 CG LEU A 77 -0.808 -5.632 24.677 1.00 11.01 C ATOM 1263 CD1 LEU A 77 -1.584 -5.957 23.404 1.00 3.33 C ATOM 1264 CD2 LEU A 77 -1.680 -4.824 25.638 1.00 51.32 C ATOM 0 H LEU A 77 -1.208 -8.466 23.659 1.00 4.44 H new ATOM 0 HA LEU A 77 1.298 -7.213 23.940 1.00 54.11 H new ATOM 0 HB2 LEU A 77 -1.148 -7.490 25.707 1.00 32.45 H new ATOM 0 HB3 LEU A 77 0.268 -6.617 26.257 1.00 32.45 H new ATOM 0 HG LEU A 77 0.058 -5.034 24.395 1.00 11.01 H new ATOM 0 HD11 LEU A 77 -1.934 -5.032 22.945 1.00 3.33 H new ATOM 0 HD12 LEU A 77 -0.934 -6.485 22.706 1.00 3.33 H new ATOM 0 HD13 LEU A 77 -2.439 -6.586 23.650 1.00 3.33 H new ATOM 0 HD21 LEU A 77 -2.038 -3.925 25.136 1.00 51.32 H new ATOM 0 HD22 LEU A 77 -2.531 -5.428 25.952 1.00 51.32 H new ATOM 0 HD23 LEU A 77 -1.093 -4.542 26.512 1.00 51.32 H new ATOM 1276 N ARG A 78 0.793 -9.829 25.918 1.00 11.30 N ATOM 1277 CA ARG A 78 1.476 -10.837 26.743 1.00 51.31 C ATOM 1278 C ARG A 78 2.681 -11.424 25.995 1.00 42.21 C ATOM 1279 O ARG A 78 3.749 -11.637 26.571 1.00 21.20 O ATOM 1280 CB ARG A 78 0.508 -11.974 27.114 1.00 33.15 C ATOM 1281 CG ARG A 78 -0.719 -11.536 27.912 1.00 52.03 C ATOM 1282 CD ARG A 78 -0.345 -10.938 29.263 1.00 13.03 C ATOM 1283 NE ARG A 78 -1.521 -10.716 30.102 1.00 14.21 N ATOM 1284 CZ ARG A 78 -1.548 -9.929 31.143 1.00 53.20 C ATOM 1285 NH1 ARG A 78 -0.505 -9.247 31.489 1.00 73.40 N1+ ATOM 1286 NH2 ARG A 78 -2.628 -9.831 31.845 1.00 15.33 N ATOM 0 H ARG A 78 -0.196 -10.021 25.757 1.00 11.30 H new ATOM 0 HA ARG A 78 1.823 -10.346 27.652 1.00 51.31 H new ATOM 0 HB2 ARG A 78 0.173 -12.461 26.198 1.00 33.15 H new ATOM 0 HB3 ARG A 78 1.052 -12.721 27.692 1.00 33.15 H new ATOM 0 HG2 ARG A 78 -1.282 -10.802 27.335 1.00 52.03 H new ATOM 0 HG3 ARG A 78 -1.375 -12.393 28.065 1.00 52.03 H new ATOM 0 HD2 ARG A 78 0.347 -11.605 29.777 1.00 13.03 H new ATOM 0 HD3 ARG A 78 0.176 -9.993 29.111 1.00 13.03 H new ATOM 0 HE ARG A 78 -2.379 -11.210 29.857 1.00 14.21 H new ATOM 0 HH11 ARG A 78 0.355 -9.320 30.946 1.00 73.40 H new ATOM 0 HH12 ARG A 78 -0.543 -8.636 32.305 1.00 73.40 H new ATOM 0 HH21 ARG A 78 -3.456 -10.368 31.585 1.00 15.33 H new ATOM 0 HH22 ARG A 78 -2.653 -9.217 32.659 1.00 15.33 H new ATOM 1300 N SER A 79 2.492 -11.658 24.697 1.00 64.55 N ATOM 1301 CA SER A 79 3.543 -12.214 23.834 1.00 62.34 C ATOM 1302 C SER A 79 4.780 -11.301 23.775 1.00 53.31 C ATOM 1303 O SER A 79 5.866 -11.747 23.413 1.00 25.35 O ATOM 1304 CB SER A 79 3.006 -12.452 22.411 1.00 31.45 C ATOM 1305 OG SER A 79 1.869 -13.311 22.420 1.00 64.22 O ATOM 0 H SER A 79 1.614 -11.470 24.213 1.00 64.55 H new ATOM 0 HA SER A 79 3.846 -13.166 24.271 1.00 62.34 H new ATOM 0 HB2 SER A 79 2.739 -11.498 21.957 1.00 31.45 H new ATOM 0 HB3 SER A 79 3.790 -12.890 21.793 1.00 31.45 H new ATOM 0 HG SER A 79 1.135 -12.878 22.904 1.00 64.22 H new ATOM 1311 N TRP A 80 4.598 -10.014 24.089 1.00 33.04 N ATOM 1312 CA TRP A 80 5.713 -9.049 24.130 1.00 31.22 C ATOM 1313 C TRP A 80 6.273 -8.876 25.557 1.00 14.40 C ATOM 1314 O TRP A 80 7.457 -8.590 25.743 1.00 13.35 O ATOM 1315 CB TRP A 80 5.259 -7.683 23.591 1.00 44.35 C ATOM 1316 CG TRP A 80 4.664 -7.730 22.212 1.00 51.34 C ATOM 1317 CD1 TRP A 80 4.710 -8.767 21.323 1.00 41.15 C ATOM 1318 CD2 TRP A 80 3.932 -6.681 21.565 1.00 71.04 C ATOM 1319 NE1 TRP A 80 4.042 -8.431 20.172 1.00 62.02 N ATOM 1320 CE2 TRP A 80 3.560 -7.154 20.294 1.00 12.42 C ATOM 1321 CE3 TRP A 80 3.555 -5.388 21.940 1.00 45.24 C ATOM 1322 CZ2 TRP A 80 2.824 -6.381 19.399 1.00 11.43 C ATOM 1323 CZ3 TRP A 80 2.829 -4.619 21.050 1.00 41.42 C ATOM 1324 CH2 TRP A 80 2.470 -5.118 19.793 1.00 30.30 C ATOM 0 H TRP A 80 3.690 -9.612 24.319 1.00 33.04 H new ATOM 0 HA TRP A 80 6.507 -9.449 23.499 1.00 31.22 H new ATOM 0 HB2 TRP A 80 4.525 -7.261 24.277 1.00 44.35 H new ATOM 0 HB3 TRP A 80 6.114 -7.006 23.583 1.00 44.35 H new ATOM 0 HD1 TRP A 80 5.200 -9.713 21.500 1.00 41.15 H new ATOM 0 HE1 TRP A 80 3.924 -9.034 19.358 1.00 62.02 H new ATOM 0 HE3 TRP A 80 3.827 -4.996 22.909 1.00 45.24 H new ATOM 0 HZ2 TRP A 80 2.543 -6.764 18.429 1.00 11.43 H new ATOM 0 HZ3 TRP A 80 2.534 -3.618 21.329 1.00 41.42 H new ATOM 0 HH2 TRP A 80 1.902 -4.494 19.119 1.00 30.30 H new ATOM 1335 N GLN A 81 5.412 -9.056 26.561 1.00 62.04 N ATOM 1336 CA GLN A 81 5.776 -8.838 27.973 1.00 13.25 C ATOM 1337 C GLN A 81 6.929 -9.743 28.449 1.00 12.20 C ATOM 1338 O GLN A 81 7.585 -9.446 29.450 1.00 34.43 O ATOM 1339 CB GLN A 81 4.549 -9.044 28.874 1.00 72.13 C ATOM 1340 CG GLN A 81 3.449 -8.002 28.678 1.00 30.31 C ATOM 1341 CD GLN A 81 3.889 -6.598 29.066 1.00 50.44 C ATOM 1342 OE1 GLN A 81 3.738 -6.182 30.211 1.00 12.51 O ATOM 1343 NE2 GLN A 81 4.434 -5.857 28.119 1.00 71.32 N ATOM 0 H GLN A 81 4.446 -9.355 26.425 1.00 62.04 H new ATOM 0 HA GLN A 81 6.128 -7.809 28.047 1.00 13.25 H new ATOM 0 HB2 GLN A 81 4.135 -10.034 28.684 1.00 72.13 H new ATOM 0 HB3 GLN A 81 4.870 -9.027 29.916 1.00 72.13 H new ATOM 0 HG2 GLN A 81 3.135 -8.004 27.634 1.00 30.31 H new ATOM 0 HG3 GLN A 81 2.580 -8.282 29.273 1.00 30.31 H new ATOM 0 HE21 GLN A 81 4.545 -6.233 27.177 1.00 71.32 H new ATOM 0 HE22 GLN A 81 4.744 -4.908 28.329 1.00 71.32 H new ATOM 1352 N LYS A 82 7.184 -10.836 27.732 1.00 13.11 N ATOM 1353 CA LYS A 82 8.211 -11.810 28.138 1.00 50.43 C ATOM 1354 C LYS A 82 9.624 -11.197 28.204 1.00 62.10 C ATOM 1355 O LYS A 82 10.573 -11.850 28.640 1.00 41.23 O ATOM 1356 CB LYS A 82 8.210 -13.017 27.191 1.00 3.43 C ATOM 1357 CG LYS A 82 8.932 -12.808 25.858 1.00 73.02 C ATOM 1358 CD LYS A 82 8.303 -11.705 25.017 1.00 30.54 C ATOM 1359 CE LYS A 82 8.867 -11.680 23.601 1.00 53.13 C ATOM 1360 NZ LYS A 82 8.630 -12.964 22.889 1.00 24.32 N1+ ATOM 0 H LYS A 82 6.698 -11.074 26.868 1.00 13.11 H new ATOM 0 HA LYS A 82 7.952 -12.133 29.146 1.00 50.43 H new ATOM 0 HB2 LYS A 82 8.670 -13.861 27.705 1.00 3.43 H new ATOM 0 HB3 LYS A 82 7.176 -13.294 26.985 1.00 3.43 H new ATOM 0 HG2 LYS A 82 9.977 -12.563 26.050 1.00 73.02 H new ATOM 0 HG3 LYS A 82 8.922 -13.740 25.294 1.00 73.02 H new ATOM 0 HD2 LYS A 82 7.224 -11.851 24.976 1.00 30.54 H new ATOM 0 HD3 LYS A 82 8.477 -10.741 25.494 1.00 30.54 H new ATOM 0 HE2 LYS A 82 8.409 -10.864 23.042 1.00 53.13 H new ATOM 0 HE3 LYS A 82 9.937 -11.478 23.640 1.00 53.13 H new ATOM 0 HZ1 LYS A 82 9.028 -12.908 21.930 1.00 24.32 H new ATOM 0 HZ2 LYS A 82 9.089 -13.739 23.409 1.00 24.32 H new ATOM 0 HZ3 LYS A 82 7.607 -13.144 22.830 1.00 24.32 H new ATOM 1374 N LEU A 83 9.765 -9.956 27.752 1.00 31.21 N ATOM 1375 CA LEU A 83 11.027 -9.228 27.888 1.00 10.12 C ATOM 1376 C LEU A 83 11.291 -8.859 29.359 1.00 21.44 C ATOM 1377 O LEU A 83 12.424 -8.933 29.839 1.00 14.40 O ATOM 1378 CB LEU A 83 10.995 -7.961 27.023 1.00 65.55 C ATOM 1379 CG LEU A 83 12.277 -7.110 27.045 1.00 10.41 C ATOM 1380 CD1 LEU A 83 13.465 -7.895 26.493 1.00 31.45 C ATOM 1381 CD2 LEU A 83 12.076 -5.813 26.268 1.00 13.31 C ATOM 0 H LEU A 83 9.024 -9.431 27.288 1.00 31.21 H new ATOM 0 HA LEU A 83 11.837 -9.874 27.548 1.00 10.12 H new ATOM 0 HB2 LEU A 83 10.790 -8.251 25.992 1.00 65.55 H new ATOM 0 HB3 LEU A 83 10.162 -7.339 27.351 1.00 65.55 H new ATOM 0 HG LEU A 83 12.496 -6.856 28.082 1.00 10.41 H new ATOM 0 HD11 LEU A 83 14.358 -7.270 26.520 1.00 31.45 H new ATOM 0 HD12 LEU A 83 13.627 -8.785 27.100 1.00 31.45 H new ATOM 0 HD13 LEU A 83 13.260 -8.190 25.464 1.00 31.45 H new ATOM 0 HD21 LEU A 83 12.994 -5.226 26.296 1.00 13.31 H new ATOM 0 HD22 LEU A 83 11.824 -6.044 25.233 1.00 13.31 H new ATOM 0 HD23 LEU A 83 11.266 -5.240 26.719 1.00 13.31 H new ATOM 1393 N ILE A 84 10.233 -8.472 30.073 1.00 31.23 N ATOM 1394 CA ILE A 84 10.351 -8.078 31.484 1.00 34.33 C ATOM 1395 C ILE A 84 10.001 -9.237 32.435 1.00 43.23 C ATOM 1396 O ILE A 84 10.419 -9.249 33.595 1.00 62.44 O ATOM 1397 CB ILE A 84 9.446 -6.860 31.807 1.00 50.23 C ATOM 1398 CG1 ILE A 84 7.971 -7.185 31.512 1.00 63.24 C ATOM 1399 CG2 ILE A 84 9.899 -5.630 31.018 1.00 24.43 C ATOM 1400 CD1 ILE A 84 7.013 -6.051 31.818 1.00 60.54 C ATOM 0 H ILE A 84 9.285 -8.422 29.701 1.00 31.23 H new ATOM 0 HA ILE A 84 11.394 -7.802 31.641 1.00 34.33 H new ATOM 0 HB ILE A 84 9.538 -6.637 32.870 1.00 50.23 H new ATOM 0 HG12 ILE A 84 7.873 -7.455 30.461 1.00 63.24 H new ATOM 0 HG13 ILE A 84 7.680 -8.059 32.094 1.00 63.24 H new ATOM 0 HG21 ILE A 84 9.253 -4.786 31.257 1.00 24.43 H new ATOM 0 HG22 ILE A 84 10.928 -5.386 31.283 1.00 24.43 H new ATOM 0 HG23 ILE A 84 9.840 -5.841 29.950 1.00 24.43 H new ATOM 0 HD11 ILE A 84 5.995 -6.361 31.583 1.00 60.54 H new ATOM 0 HD12 ILE A 84 7.079 -5.794 32.875 1.00 60.54 H new ATOM 0 HD13 ILE A 84 7.275 -5.181 31.216 1.00 60.54 H new ATOM 1412 N GLU A 85 9.243 -10.216 31.943 1.00 54.40 N ATOM 1413 CA GLU A 85 8.876 -11.392 32.744 1.00 4.55 C ATOM 1414 C GLU A 85 9.470 -12.679 32.143 1.00 73.14 C ATOM 1415 O GLU A 85 9.374 -12.908 30.940 1.00 51.32 O ATOM 1416 CB GLU A 85 7.347 -11.507 32.864 1.00 71.34 C ATOM 1417 CG GLU A 85 6.701 -10.305 33.552 1.00 23.42 C ATOM 1418 CD GLU A 85 5.226 -10.512 33.857 1.00 11.32 C ATOM 1419 OE1 GLU A 85 4.908 -11.013 34.958 1.00 62.15 O ATOM 1420 OE2 GLU A 85 4.378 -10.167 33.010 1.00 13.53 O1- ATOM 0 H GLU A 85 8.869 -10.222 30.994 1.00 54.40 H new ATOM 0 HA GLU A 85 9.294 -11.263 33.743 1.00 4.55 H new ATOM 0 HB2 GLU A 85 6.919 -11.620 31.868 1.00 71.34 H new ATOM 0 HB3 GLU A 85 7.100 -12.411 33.421 1.00 71.34 H new ATOM 0 HG2 GLU A 85 7.232 -10.097 34.481 1.00 23.42 H new ATOM 0 HG3 GLU A 85 6.814 -9.426 32.917 1.00 23.42 H new ATOM 1427 N PRO A 86 10.084 -13.543 32.983 1.00 14.31 N ATOM 1428 CA PRO A 86 10.811 -14.752 32.518 1.00 11.44 C ATOM 1429 C PRO A 86 9.950 -15.752 31.713 1.00 65.14 C ATOM 1430 O PRO A 86 10.482 -16.663 31.072 1.00 3.35 O ATOM 1431 CB PRO A 86 11.296 -15.398 33.827 1.00 10.12 C ATOM 1432 CG PRO A 86 11.290 -14.292 34.829 1.00 31.50 C ATOM 1433 CD PRO A 86 10.135 -13.409 34.451 1.00 21.01 C ATOM 0 HA PRO A 86 11.603 -14.478 31.821 1.00 11.44 H new ATOM 0 HB2 PRO A 86 10.638 -16.211 34.133 1.00 10.12 H new ATOM 0 HB3 PRO A 86 12.294 -15.821 33.712 1.00 10.12 H new ATOM 0 HG2 PRO A 86 11.171 -14.680 35.841 1.00 31.50 H new ATOM 0 HG3 PRO A 86 12.229 -13.739 34.808 1.00 31.50 H new ATOM 0 HD2 PRO A 86 9.206 -13.736 34.919 1.00 21.01 H new ATOM 0 HD3 PRO A 86 10.299 -12.376 34.757 1.00 21.01 H new ATOM 1441 N ALA A 87 8.633 -15.594 31.755 1.00 4.22 N ATOM 1442 CA ALA A 87 7.727 -16.465 30.999 1.00 31.42 C ATOM 1443 C ALA A 87 7.676 -16.067 29.517 1.00 72.21 C ATOM 1444 O ALA A 87 6.917 -15.177 29.126 1.00 3.43 O ATOM 1445 CB ALA A 87 6.329 -16.431 31.609 1.00 51.34 C ATOM 0 H ALA A 87 8.164 -14.873 32.303 1.00 4.22 H new ATOM 0 HA ALA A 87 8.113 -17.483 31.057 1.00 31.42 H new ATOM 0 HB1 ALA A 87 5.667 -17.082 31.038 1.00 51.34 H new ATOM 0 HB2 ALA A 87 6.374 -16.776 32.642 1.00 51.34 H new ATOM 0 HB3 ALA A 87 5.946 -15.411 31.583 1.00 51.34 H new ATOM 1451 N HIS A 88 8.492 -16.720 28.690 1.00 44.40 N ATOM 1452 CA HIS A 88 8.550 -16.389 27.264 1.00 11.31 C ATOM 1453 C HIS A 88 7.323 -16.898 26.497 1.00 21.21 C ATOM 1454 O HIS A 88 7.346 -17.958 25.868 1.00 10.14 O ATOM 1455 CB HIS A 88 9.860 -16.882 26.631 1.00 33.21 C ATOM 1456 CG HIS A 88 11.051 -16.076 27.061 1.00 71.02 C ATOM 1457 ND1 HIS A 88 11.822 -15.338 26.188 1.00 21.41 N ATOM 1458 CD2 HIS A 88 11.591 -15.876 28.287 1.00 23.23 C ATOM 1459 CE1 HIS A 88 12.779 -14.724 26.856 1.00 35.22 C ATOM 1460 NE2 HIS A 88 12.661 -15.034 28.129 1.00 42.22 N ATOM 0 H HIS A 88 9.116 -17.474 28.977 1.00 44.40 H new ATOM 0 HA HIS A 88 8.534 -15.302 27.188 1.00 11.31 H new ATOM 0 HB2 HIS A 88 10.018 -17.927 26.899 1.00 33.21 H new ATOM 0 HB3 HIS A 88 9.772 -16.841 25.545 1.00 33.21 H new ATOM 0 HD1 HIS A 88 11.675 -15.276 25.181 1.00 21.41 H new ATOM 0 HD2 HIS A 88 11.243 -16.301 29.217 1.00 23.23 H new ATOM 0 HE1 HIS A 88 13.532 -14.077 26.430 1.00 35.22 H new ATOM 1469 N GLN A 89 6.242 -16.125 26.585 1.00 73.33 N ATOM 1470 CA GLN A 89 5.015 -16.394 25.834 1.00 45.15 C ATOM 1471 C GLN A 89 5.216 -16.081 24.342 1.00 12.03 C ATOM 1472 O GLN A 89 5.306 -14.918 23.953 1.00 70.24 O ATOM 1473 CB GLN A 89 3.859 -15.553 26.404 1.00 73.42 C ATOM 1474 CG GLN A 89 3.608 -15.787 27.892 1.00 74.21 C ATOM 1475 CD GLN A 89 2.554 -14.857 28.475 1.00 73.43 C ATOM 1476 OE1 GLN A 89 1.364 -15.166 28.487 1.00 22.14 O ATOM 1477 NE2 GLN A 89 2.980 -13.712 28.969 1.00 10.05 N ATOM 0 H GLN A 89 6.191 -15.296 27.177 1.00 73.33 H new ATOM 0 HA GLN A 89 4.768 -17.451 25.932 1.00 45.15 H new ATOM 0 HB2 GLN A 89 4.075 -14.497 26.242 1.00 73.42 H new ATOM 0 HB3 GLN A 89 2.948 -15.780 25.850 1.00 73.42 H new ATOM 0 HG2 GLN A 89 3.295 -16.820 28.043 1.00 74.21 H new ATOM 0 HG3 GLN A 89 4.543 -15.654 28.437 1.00 74.21 H new ATOM 0 HE21 GLN A 89 3.974 -13.484 28.944 1.00 10.05 H new ATOM 0 HE22 GLN A 89 2.316 -13.054 29.376 1.00 10.05 H new ATOM 1486 N HIS A 90 5.308 -17.130 23.524 1.00 30.23 N ATOM 1487 CA HIS A 90 5.548 -16.996 22.079 1.00 44.32 C ATOM 1488 C HIS A 90 6.914 -16.345 21.783 1.00 73.45 C ATOM 1489 O HIS A 90 7.055 -15.118 21.811 1.00 4.11 O ATOM 1490 CB HIS A 90 4.425 -16.192 21.405 1.00 71.32 C ATOM 1491 CG HIS A 90 4.538 -16.141 19.909 1.00 75.00 C ATOM 1492 ND1 HIS A 90 5.436 -15.331 19.244 1.00 43.00 N ATOM 1493 CD2 HIS A 90 3.872 -16.823 18.944 1.00 4.34 C ATOM 1494 CE1 HIS A 90 5.316 -15.516 17.944 1.00 74.41 C ATOM 1495 NE2 HIS A 90 4.377 -16.412 17.735 1.00 3.52 N ATOM 0 H HIS A 90 5.219 -18.096 23.839 1.00 30.23 H new ATOM 0 HA HIS A 90 5.557 -18.004 21.664 1.00 44.32 H new ATOM 0 HB2 HIS A 90 3.464 -16.630 21.674 1.00 71.32 H new ATOM 0 HB3 HIS A 90 4.432 -15.175 21.797 1.00 71.32 H new ATOM 0 HD1 HIS A 90 6.091 -14.689 19.689 1.00 43.00 H new ATOM 0 HD2 HIS A 90 3.091 -17.553 19.098 1.00 4.34 H new ATOM 0 HE1 HIS A 90 5.892 -15.016 17.180 1.00 74.41 H new ATOM 1504 N GLU A 91 7.915 -17.170 21.495 1.00 61.54 N ATOM 1505 CA GLU A 91 9.251 -16.673 21.151 1.00 43.15 C ATOM 1506 C GLU A 91 9.746 -17.314 19.846 1.00 61.11 C ATOM 1507 O GLU A 91 9.562 -18.513 19.626 1.00 43.22 O ATOM 1508 CB GLU A 91 10.239 -16.971 22.291 1.00 71.42 C ATOM 1509 CG GLU A 91 11.469 -16.068 22.289 1.00 41.50 C ATOM 1510 CD GLU A 91 11.111 -14.615 22.561 1.00 63.34 C ATOM 1511 OE1 GLU A 91 10.948 -14.254 23.744 1.00 1.10 O ATOM 1512 OE2 GLU A 91 10.964 -13.834 21.596 1.00 4.42 O1- ATOM 0 H GLU A 91 7.831 -18.187 21.492 1.00 61.54 H new ATOM 0 HA GLU A 91 9.190 -15.594 21.008 1.00 43.15 H new ATOM 0 HB2 GLU A 91 9.722 -16.864 23.245 1.00 71.42 H new ATOM 0 HB3 GLU A 91 10.562 -18.010 22.218 1.00 71.42 H new ATOM 0 HG2 GLU A 91 12.174 -16.415 23.044 1.00 41.50 H new ATOM 0 HG3 GLU A 91 11.972 -16.143 21.325 1.00 41.50 H new ATOM 1519 N ALA A 92 10.369 -16.517 18.981 1.00 43.23 N ATOM 1520 CA ALA A 92 10.858 -17.017 17.684 1.00 65.23 C ATOM 1521 C ALA A 92 12.244 -16.443 17.329 1.00 22.32 C ATOM 1522 O ALA A 92 12.311 -15.372 16.684 1.00 37.61 O ATOM 1523 CB ALA A 92 9.841 -16.702 16.589 1.00 71.55 C ATOM 1524 OXT ALA A 92 13.266 -17.065 17.703 1.00 37.61 O ATOM 0 H ALA A 92 10.550 -15.527 19.147 1.00 43.23 H new ATOM 0 HA ALA A 92 10.974 -18.098 17.763 1.00 65.23 H new ATOM 0 HB1 ALA A 92 10.209 -17.074 15.633 1.00 71.55 H new ATOM 0 HB2 ALA A 92 8.892 -17.183 16.825 1.00 71.55 H new ATOM 0 HB3 ALA A 92 9.696 -15.624 16.527 1.00 71.55 H new TER 1530 ALA A 92