USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 791 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 64 ASN : amide:sc= -0.0503 K(o=0.088,f=-0.76) USER MOD Set 1.2: A 71 LYS NZ :NH3+ -140:sc= 0.138 (180deg=-0.186) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -168:sc= -0.029 (180deg=-0.223) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -164:sc= 0.504 (180deg=0.381) USER MOD Single : A 17 LYS NZ :NH3+ 153:sc= -0.141 (180deg=-0.582) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 103:sc= 0.272 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl 158:sc= -0.104 (180deg=-0.671) USER MOD Single : A 35 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.418) USER MOD Single : A 37 LYS NZ :NH3+ -127:sc= 0.609 (180deg=-0.952) USER MOD Single : A 45 ASN : amide:sc= -4.43! C(o=-4.4!,f=-5!) USER MOD Single : A 50 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0129) USER MOD Single : A 57 LYS NZ :NH3+ 145:sc= 0 (180deg=-0.0215) USER MOD Single : A 58 MET CE :methyl -174:sc= 0 (180deg=-0.00639) USER MOD Single : A 67 SER OG : rot 170:sc= -0.224 USER MOD Single : A 72 LYS NZ :NH3+ -169:sc= -0.0171 (180deg=-0.201) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 151:sc= -1.82 (180deg=-2.69!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -153:sc= -0.142 (180deg=-0.728) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.0366 K(o=-0.037,f=-0.87) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.996 -2.354 9.285 1.00 53.32 N ATOM 2 CA MET A 1 -9.842 -2.783 10.066 1.00 33.20 C ATOM 3 C MET A 1 -8.598 -1.990 9.679 1.00 60.44 C ATOM 4 O MET A 1 -7.705 -1.780 10.499 1.00 40.54 O ATOM 5 CB MET A 1 -9.591 -4.279 9.865 1.00 54.11 C ATOM 6 CG MET A 1 -8.703 -4.895 10.934 1.00 75.34 C ATOM 7 SD MET A 1 -8.931 -6.678 11.083 1.00 55.31 S ATOM 8 CE MET A 1 -8.144 -6.989 12.661 1.00 1.32 C ATOM 0 H1 MET A 1 -11.863 -2.754 9.698 1.00 53.32 H new ATOM 0 H2 MET A 1 -11.055 -1.316 9.295 1.00 53.32 H new ATOM 0 H3 MET A 1 -10.894 -2.686 8.305 1.00 53.32 H new ATOM 0 HA MET A 1 -10.057 -2.596 11.118 1.00 33.20 H new ATOM 0 HB2 MET A 1 -10.548 -4.801 9.854 1.00 54.11 H new ATOM 0 HB3 MET A 1 -9.132 -4.434 8.889 1.00 54.11 H new ATOM 0 HG2 MET A 1 -7.660 -4.684 10.700 1.00 75.34 H new ATOM 0 HG3 MET A 1 -8.916 -4.424 11.894 1.00 75.34 H new ATOM 0 HE1 MET A 1 -8.203 -8.052 12.894 1.00 1.32 H new ATOM 0 HE2 MET A 1 -7.098 -6.686 12.612 1.00 1.32 H new ATOM 0 HE3 MET A 1 -8.651 -6.418 13.439 1.00 1.32 H new ATOM 18 N ALA A 2 -8.546 -1.554 8.424 1.00 35.23 N ATOM 19 CA ALA A 2 -7.412 -0.784 7.930 1.00 55.55 C ATOM 20 C ALA A 2 -7.230 0.500 8.732 1.00 44.55 C ATOM 21 O ALA A 2 -7.971 0.764 9.677 1.00 23.05 O ATOM 22 CB ALA A 2 -7.595 -0.464 6.453 1.00 31.51 C ATOM 0 H ALA A 2 -9.276 -1.721 7.732 1.00 35.23 H new ATOM 0 HA ALA A 2 -6.513 -1.388 8.051 1.00 55.55 H new ATOM 0 HB1 ALA A 2 -6.741 0.112 6.097 1.00 31.51 H new ATOM 0 HB2 ALA A 2 -7.669 -1.392 5.886 1.00 31.51 H new ATOM 0 HB3 ALA A 2 -8.507 0.118 6.317 1.00 31.51 H new ATOM 28 N GLY A 3 -6.236 1.297 8.347 1.00 35.31 N ATOM 29 CA GLY A 3 -5.974 2.543 9.042 1.00 42.40 C ATOM 30 C GLY A 3 -5.664 2.334 10.511 1.00 42.21 C ATOM 31 O GLY A 3 -6.572 2.215 11.333 1.00 62.51 O ATOM 0 H GLY A 3 -5.609 1.101 7.567 1.00 35.31 H new ATOM 0 HA2 GLY A 3 -5.136 3.052 8.566 1.00 42.40 H new ATOM 0 HA3 GLY A 3 -6.840 3.198 8.946 1.00 42.40 H new ATOM 35 N ALA A 4 -4.377 2.288 10.842 1.00 55.41 N ATOM 36 CA ALA A 4 -3.950 2.092 12.222 1.00 52.44 C ATOM 37 C ALA A 4 -2.479 2.454 12.397 1.00 32.34 C ATOM 38 O ALA A 4 -1.699 2.399 11.447 1.00 62.20 O ATOM 39 CB ALA A 4 -4.197 0.654 12.651 1.00 33.13 C ATOM 0 H ALA A 4 -3.613 2.384 10.173 1.00 55.41 H new ATOM 0 HA ALA A 4 -4.538 2.755 12.857 1.00 52.44 H new ATOM 0 HB1 ALA A 4 -3.874 0.522 13.683 1.00 33.13 H new ATOM 0 HB2 ALA A 4 -5.260 0.428 12.572 1.00 33.13 H new ATOM 0 HB3 ALA A 4 -3.634 -0.020 12.005 1.00 33.13 H new ATOM 45 N SER A 5 -2.107 2.824 13.619 1.00 73.04 N ATOM 46 CA SER A 5 -0.730 3.199 13.918 1.00 73.04 C ATOM 47 C SER A 5 0.003 2.060 14.619 1.00 31.33 C ATOM 48 O SER A 5 0.623 2.256 15.664 1.00 0.55 O ATOM 49 CB SER A 5 -0.699 4.455 14.791 1.00 75.31 C ATOM 50 OG SER A 5 -1.012 5.611 14.033 1.00 24.31 O ATOM 0 H SER A 5 -2.740 2.872 14.417 1.00 73.04 H new ATOM 0 HA SER A 5 -0.224 3.408 12.976 1.00 73.04 H new ATOM 0 HB2 SER A 5 -1.410 4.350 15.610 1.00 75.31 H new ATOM 0 HB3 SER A 5 0.289 4.566 15.239 1.00 75.31 H new ATOM 0 HG SER A 5 -0.987 6.400 14.614 1.00 24.31 H new ATOM 56 N ASP A 6 -0.073 0.868 14.037 1.00 53.33 N ATOM 57 CA ASP A 6 0.583 -0.304 14.604 1.00 3.32 C ATOM 58 C ASP A 6 1.456 -0.996 13.562 1.00 52.24 C ATOM 59 O ASP A 6 2.651 -1.200 13.775 1.00 50.01 O ATOM 60 CB ASP A 6 -0.457 -1.284 15.149 1.00 41.22 C ATOM 61 CG ASP A 6 0.177 -2.491 15.812 1.00 14.24 C ATOM 62 OD1 ASP A 6 1.162 -2.309 16.557 1.00 11.33 O ATOM 63 OD2 ASP A 6 -0.313 -3.618 15.586 1.00 5.42 O ATOM 0 H ASP A 6 -0.583 0.688 13.172 1.00 53.33 H new ATOM 0 HA ASP A 6 1.221 0.028 15.423 1.00 3.32 H new ATOM 0 HB2 ASP A 6 -1.094 -0.770 15.869 1.00 41.22 H new ATOM 0 HB3 ASP A 6 -1.101 -1.617 14.335 1.00 41.22 H new ATOM 68 N ARG A 7 0.850 -1.355 12.435 1.00 72.32 N ATOM 69 CA ARG A 7 1.571 -2.027 11.360 1.00 11.32 C ATOM 70 C ARG A 7 2.146 -1.013 10.375 1.00 24.05 C ATOM 71 O ARG A 7 1.742 0.150 10.357 1.00 4.20 O ATOM 72 CB ARG A 7 0.646 -2.998 10.626 1.00 75.53 C ATOM 73 CG ARG A 7 -0.127 -3.922 11.553 1.00 75.01 C ATOM 74 CD ARG A 7 -1.204 -4.691 10.803 1.00 11.30 C ATOM 75 NE ARG A 7 -1.338 -6.061 11.290 1.00 63.23 N ATOM 76 CZ ARG A 7 -0.442 -7.014 11.057 1.00 31.21 C ATOM 77 NH1 ARG A 7 0.647 -6.747 10.349 1.00 15.00 N ATOM 78 NH2 ARG A 7 -0.634 -8.238 11.534 1.00 53.53 N ATOM 0 H ARG A 7 -0.138 -1.192 12.242 1.00 72.32 H new ATOM 0 HA ARG A 7 2.395 -2.586 11.803 1.00 11.32 H new ATOM 0 HB2 ARG A 7 -0.061 -2.428 10.023 1.00 75.53 H new ATOM 0 HB3 ARG A 7 1.238 -3.601 9.938 1.00 75.53 H new ATOM 0 HG2 ARG A 7 0.561 -4.624 12.025 1.00 75.01 H new ATOM 0 HG3 ARG A 7 -0.585 -3.338 12.352 1.00 75.01 H new ATOM 0 HD2 ARG A 7 -2.158 -4.174 10.908 1.00 11.30 H new ATOM 0 HD3 ARG A 7 -0.965 -4.706 9.740 1.00 11.30 H new ATOM 0 HE ARG A 7 -2.164 -6.299 11.839 1.00 63.23 H new ATOM 0 HH11 ARG A 7 0.799 -5.808 9.981 1.00 15.00 H new ATOM 0 HH12 ARG A 7 1.333 -7.481 10.172 1.00 15.00 H new ATOM 0 HH21 ARG A 7 -1.470 -8.447 12.080 1.00 53.53 H new ATOM 0 HH22 ARG A 7 0.054 -8.969 11.355 1.00 53.53 H new ATOM 92 N THR A 8 3.093 -1.462 9.557 1.00 24.14 N ATOM 93 CA THR A 8 3.726 -0.595 8.572 1.00 51.05 C ATOM 94 C THR A 8 2.814 -0.372 7.370 1.00 3.23 C ATOM 95 O THR A 8 2.946 0.620 6.654 1.00 23.13 O ATOM 96 CB THR A 8 5.064 -1.181 8.084 1.00 23.30 C ATOM 97 OG1 THR A 8 5.755 -0.221 7.277 1.00 73.13 O ATOM 98 CG2 THR A 8 4.838 -2.455 7.284 1.00 54.13 C ATOM 0 H THR A 8 3.438 -2.422 9.558 1.00 24.14 H new ATOM 0 HA THR A 8 3.914 0.359 9.065 1.00 51.05 H new ATOM 0 HB THR A 8 5.669 -1.422 8.958 1.00 23.30 H new ATOM 0 HG1 THR A 8 6.605 -0.601 6.972 1.00 73.13 H new ATOM 0 HG21 THR A 8 5.797 -2.850 6.950 1.00 54.13 H new ATOM 0 HG22 THR A 8 4.339 -3.194 7.911 1.00 54.13 H new ATOM 0 HG23 THR A 8 4.215 -2.235 6.417 1.00 54.13 H new ATOM 106 N GLY A 9 1.888 -1.301 7.155 1.00 31.02 N ATOM 107 CA GLY A 9 0.967 -1.186 6.039 1.00 22.44 C ATOM 108 C GLY A 9 -0.323 -1.948 6.271 1.00 24.13 C ATOM 109 O GLY A 9 -0.440 -3.114 5.893 1.00 14.31 O ATOM 0 H GLY A 9 1.759 -2.131 7.733 1.00 31.02 H new ATOM 0 HA2 GLY A 9 0.738 -0.134 5.868 1.00 22.44 H new ATOM 0 HA3 GLY A 9 1.448 -1.559 5.135 1.00 22.44 H new ATOM 113 N VAL A 10 -1.293 -1.289 6.897 1.00 71.23 N ATOM 114 CA VAL A 10 -2.581 -1.912 7.179 1.00 2.24 C ATOM 115 C VAL A 10 -3.515 -1.810 5.979 1.00 35.43 C ATOM 116 O VAL A 10 -4.629 -1.296 6.088 1.00 23.23 O ATOM 117 CB VAL A 10 -3.260 -1.266 8.401 1.00 13.24 C ATOM 118 CG1 VAL A 10 -2.515 -1.624 9.678 1.00 13.02 C ATOM 119 CG2 VAL A 10 -3.344 0.243 8.228 1.00 5.34 C ATOM 0 H VAL A 10 -1.211 -0.324 7.218 1.00 71.23 H new ATOM 0 HA VAL A 10 -2.385 -2.962 7.394 1.00 2.24 H new ATOM 0 HB VAL A 10 -4.275 -1.657 8.479 1.00 13.24 H new ATOM 0 HG11 VAL A 10 -3.010 -1.158 10.530 1.00 13.02 H new ATOM 0 HG12 VAL A 10 -2.513 -2.706 9.807 1.00 13.02 H new ATOM 0 HG13 VAL A 10 -1.488 -1.264 9.613 1.00 13.02 H new ATOM 0 HG21 VAL A 10 -3.827 0.683 9.101 1.00 5.34 H new ATOM 0 HG22 VAL A 10 -2.340 0.654 8.123 1.00 5.34 H new ATOM 0 HG23 VAL A 10 -3.926 0.475 7.336 1.00 5.34 H new ATOM 129 N ARG A 11 -3.056 -2.305 4.835 1.00 45.24 N ATOM 130 CA ARG A 11 -3.850 -2.269 3.613 1.00 73.41 C ATOM 131 C ARG A 11 -5.109 -3.120 3.758 1.00 24.30 C ATOM 132 O ARG A 11 -5.127 -4.095 4.510 1.00 54.11 O ATOM 133 CB ARG A 11 -3.022 -2.763 2.426 1.00 62.44 C ATOM 134 CG ARG A 11 -3.590 -2.358 1.075 1.00 33.25 C ATOM 135 CD ARG A 11 -3.145 -0.959 0.681 1.00 64.04 C ATOM 136 NE ARG A 11 -1.691 -0.853 0.588 1.00 60.44 N ATOM 137 CZ ARG A 11 -1.033 0.299 0.644 1.00 42.03 C ATOM 138 NH1 ARG A 11 -1.695 1.438 0.792 1.00 11.01 N ATOM 139 NH2 ARG A 11 0.291 0.314 0.552 1.00 71.32 N ATOM 0 H ARG A 11 -2.138 -2.736 4.729 1.00 45.24 H new ATOM 0 HA ARG A 11 -4.148 -1.236 3.434 1.00 73.41 H new ATOM 0 HB2 ARG A 11 -2.007 -2.375 2.515 1.00 62.44 H new ATOM 0 HB3 ARG A 11 -2.952 -3.850 2.470 1.00 62.44 H new ATOM 0 HG2 ARG A 11 -3.269 -3.071 0.315 1.00 33.25 H new ATOM 0 HG3 ARG A 11 -4.679 -2.398 1.110 1.00 33.25 H new ATOM 0 HD2 ARG A 11 -3.590 -0.694 -0.278 1.00 64.04 H new ATOM 0 HD3 ARG A 11 -3.515 -0.241 1.413 1.00 64.04 H new ATOM 0 HE ARG A 11 -1.152 -1.711 0.474 1.00 60.44 H new ATOM 0 HH11 ARG A 11 -2.712 1.431 0.863 1.00 11.01 H new ATOM 0 HH12 ARG A 11 -1.187 2.321 0.835 1.00 11.01 H new ATOM 0 HH21 ARG A 11 0.804 -0.560 0.438 1.00 71.32 H new ATOM 0 HH22 ARG A 11 0.795 1.200 0.595 1.00 71.32 H new ATOM 153 N ARG A 12 -6.158 -2.744 3.034 1.00 64.41 N ATOM 154 CA ARG A 12 -7.420 -3.472 3.083 1.00 12.33 C ATOM 155 C ARG A 12 -7.864 -3.886 1.683 1.00 13.25 C ATOM 156 O ARG A 12 -7.520 -3.254 0.684 1.00 31.41 O ATOM 157 CB ARG A 12 -8.503 -2.613 3.740 1.00 4.11 C ATOM 158 CG ARG A 12 -8.844 -1.357 2.955 1.00 63.23 C ATOM 159 CD ARG A 12 -7.866 -0.231 3.252 1.00 62.20 C ATOM 160 NE ARG A 12 -8.520 0.908 3.891 1.00 70.44 N ATOM 161 CZ ARG A 12 -7.891 2.033 4.209 1.00 44.33 C ATOM 162 NH1 ARG A 12 -6.598 2.170 3.948 1.00 2.22 N ATOM 163 NH2 ARG A 12 -8.555 3.025 4.788 1.00 3.30 N ATOM 0 H ARG A 12 -6.159 -1.940 2.407 1.00 64.41 H new ATOM 0 HA ARG A 12 -7.268 -4.372 3.678 1.00 12.33 H new ATOM 0 HB2 ARG A 12 -9.406 -3.212 3.861 1.00 4.11 H new ATOM 0 HB3 ARG A 12 -8.173 -2.328 4.739 1.00 4.11 H new ATOM 0 HG2 ARG A 12 -8.832 -1.579 1.888 1.00 63.23 H new ATOM 0 HG3 ARG A 12 -9.856 -1.036 3.202 1.00 63.23 H new ATOM 0 HD2 ARG A 12 -7.071 -0.602 3.899 1.00 62.20 H new ATOM 0 HD3 ARG A 12 -7.396 0.095 2.324 1.00 62.20 H new ATOM 0 HE ARG A 12 -9.515 0.835 4.105 1.00 70.44 H new ATOM 0 HH11 ARG A 12 -6.084 1.410 3.502 1.00 2.22 H new ATOM 0 HH12 ARG A 12 -6.117 3.035 4.193 1.00 2.22 H new ATOM 0 HH21 ARG A 12 -9.550 2.924 4.989 1.00 3.30 H new ATOM 0 HH22 ARG A 12 -8.071 3.889 5.032 1.00 3.30 H new ATOM 177 N PRO A 13 -8.647 -4.973 1.608 1.00 42.41 N ATOM 178 CA PRO A 13 -9.155 -5.495 0.336 1.00 23.51 C ATOM 179 C PRO A 13 -10.200 -4.579 -0.292 1.00 25.25 C ATOM 180 O PRO A 13 -10.556 -4.737 -1.459 1.00 71.12 O ATOM 181 CB PRO A 13 -9.784 -6.834 0.729 1.00 34.21 C ATOM 182 CG PRO A 13 -10.144 -6.676 2.166 1.00 23.42 C ATOM 183 CD PRO A 13 -9.096 -5.774 2.758 1.00 33.43 C ATOM 0 HA PRO A 13 -8.368 -5.581 -0.413 1.00 23.51 H new ATOM 0 HB2 PRO A 13 -10.663 -7.052 0.122 1.00 34.21 H new ATOM 0 HB3 PRO A 13 -9.085 -7.658 0.584 1.00 34.21 H new ATOM 0 HG2 PRO A 13 -11.138 -6.243 2.274 1.00 23.42 H new ATOM 0 HG3 PRO A 13 -10.160 -7.641 2.673 1.00 23.42 H new ATOM 0 HD2 PRO A 13 -9.506 -5.146 3.549 1.00 33.43 H new ATOM 0 HD3 PRO A 13 -8.276 -6.344 3.196 1.00 33.43 H new ATOM 191 N ARG A 14 -10.686 -3.621 0.491 1.00 72.33 N ATOM 192 CA ARG A 14 -11.691 -2.680 0.011 1.00 30.10 C ATOM 193 C ARG A 14 -11.038 -1.391 -0.480 1.00 32.31 C ATOM 194 O ARG A 14 -11.677 -0.340 -0.535 1.00 75.52 O ATOM 195 CB ARG A 14 -12.696 -2.365 1.120 1.00 11.14 C ATOM 196 CG ARG A 14 -14.131 -2.261 0.630 1.00 12.15 C ATOM 197 CD ARG A 14 -15.123 -2.550 1.746 1.00 11.13 C ATOM 198 NE ARG A 14 -16.405 -1.887 1.524 1.00 75.42 N ATOM 199 CZ ARG A 14 -17.287 -1.651 2.489 1.00 54.45 C ATOM 200 NH1 ARG A 14 -17.027 -2.020 3.735 1.00 43.11 N ATOM 201 NH2 ARG A 14 -18.433 -1.043 2.207 1.00 1.33 N ATOM 0 H ARG A 14 -10.400 -3.476 1.459 1.00 72.33 H new ATOM 0 HA ARG A 14 -12.216 -3.142 -0.825 1.00 30.10 H new ATOM 0 HB2 ARG A 14 -12.637 -3.141 1.883 1.00 11.14 H new ATOM 0 HB3 ARG A 14 -12.415 -1.426 1.597 1.00 11.14 H new ATOM 0 HG2 ARG A 14 -14.309 -1.262 0.233 1.00 12.15 H new ATOM 0 HG3 ARG A 14 -14.289 -2.963 -0.189 1.00 12.15 H new ATOM 0 HD2 ARG A 14 -15.280 -3.626 1.822 1.00 11.13 H new ATOM 0 HD3 ARG A 14 -14.705 -2.221 2.697 1.00 11.13 H new ATOM 0 HE ARG A 14 -16.636 -1.589 0.576 1.00 75.42 H new ATOM 0 HH11 ARG A 14 -16.147 -2.487 3.956 1.00 43.11 H new ATOM 0 HH12 ARG A 14 -17.707 -1.837 4.473 1.00 43.11 H new ATOM 0 HH21 ARG A 14 -18.636 -0.757 1.249 1.00 1.33 H new ATOM 0 HH22 ARG A 14 -19.110 -0.862 2.948 1.00 1.33 H new ATOM 215 N LYS A 15 -9.761 -1.479 -0.835 1.00 22.21 N ATOM 216 CA LYS A 15 -9.020 -0.322 -1.322 1.00 12.50 C ATOM 217 C LYS A 15 -9.771 0.367 -2.457 1.00 74.32 C ATOM 218 O LYS A 15 -10.565 -0.260 -3.158 1.00 53.11 O ATOM 219 CB LYS A 15 -7.629 -0.744 -1.799 1.00 60.34 C ATOM 220 CG LYS A 15 -6.627 0.396 -1.838 1.00 43.35 C ATOM 221 CD LYS A 15 -6.395 0.982 -0.456 1.00 5.21 C ATOM 222 CE LYS A 15 -4.966 1.480 -0.294 1.00 33.40 C ATOM 223 NZ LYS A 15 -4.864 2.951 -0.502 1.00 73.42 N ATOM 0 H LYS A 15 -9.217 -2.341 -0.794 1.00 22.21 H new ATOM 0 HA LYS A 15 -8.916 0.384 -0.498 1.00 12.50 H new ATOM 0 HB2 LYS A 15 -7.251 -1.527 -1.141 1.00 60.34 H new ATOM 0 HB3 LYS A 15 -7.712 -1.178 -2.796 1.00 60.34 H new ATOM 0 HG2 LYS A 15 -5.682 0.037 -2.245 1.00 43.35 H new ATOM 0 HG3 LYS A 15 -6.988 1.176 -2.509 1.00 43.35 H new ATOM 0 HD2 LYS A 15 -7.090 1.805 -0.287 1.00 5.21 H new ATOM 0 HD3 LYS A 15 -6.606 0.227 0.301 1.00 5.21 H new ATOM 0 HE2 LYS A 15 -4.605 1.228 0.703 1.00 33.40 H new ATOM 0 HE3 LYS A 15 -4.320 0.967 -1.006 1.00 33.40 H new ATOM 0 HZ1 LYS A 15 -3.869 3.212 -0.653 1.00 73.42 H new ATOM 0 HZ2 LYS A 15 -5.424 3.223 -1.335 1.00 73.42 H new ATOM 0 HZ3 LYS A 15 -5.228 3.446 0.337 1.00 73.42 H new ATOM 237 N ALA A 16 -9.514 1.659 -2.633 1.00 61.43 N ATOM 238 CA ALA A 16 -10.163 2.430 -3.686 1.00 12.43 C ATOM 239 C ALA A 16 -9.803 1.889 -5.065 1.00 51.21 C ATOM 240 O ALA A 16 -10.512 2.129 -6.042 1.00 53.34 O ATOM 241 CB ALA A 16 -9.780 3.899 -3.576 1.00 70.22 C ATOM 0 H ALA A 16 -8.861 2.194 -2.060 1.00 61.43 H new ATOM 0 HA ALA A 16 -11.241 2.336 -3.559 1.00 12.43 H new ATOM 0 HB1 ALA A 16 -10.272 4.463 -4.368 1.00 70.22 H new ATOM 0 HB2 ALA A 16 -10.094 4.285 -2.607 1.00 70.22 H new ATOM 0 HB3 ALA A 16 -8.699 4.002 -3.674 1.00 70.22 H new ATOM 247 N LYS A 17 -8.696 1.158 -5.138 1.00 50.01 N ATOM 248 CA LYS A 17 -8.241 0.582 -6.398 1.00 20.42 C ATOM 249 C LYS A 17 -9.289 -0.366 -6.972 1.00 62.34 C ATOM 250 O LYS A 17 -9.350 -0.581 -8.183 1.00 43.22 O ATOM 251 CB LYS A 17 -6.920 -0.164 -6.193 1.00 74.34 C ATOM 252 CG LYS A 17 -5.697 0.733 -6.269 1.00 71.33 C ATOM 253 CD LYS A 17 -5.080 0.718 -7.658 1.00 14.41 C ATOM 254 CE LYS A 17 -5.663 1.814 -8.538 1.00 22.03 C ATOM 255 NZ LYS A 17 -5.319 3.172 -8.033 1.00 40.20 N ATOM 0 H LYS A 17 -8.097 0.950 -4.339 1.00 50.01 H new ATOM 0 HA LYS A 17 -8.086 1.396 -7.107 1.00 20.42 H new ATOM 0 HB2 LYS A 17 -6.938 -0.658 -5.221 1.00 74.34 H new ATOM 0 HB3 LYS A 17 -6.834 -0.947 -6.947 1.00 74.34 H new ATOM 0 HG2 LYS A 17 -5.976 1.753 -6.005 1.00 71.33 H new ATOM 0 HG3 LYS A 17 -4.958 0.405 -5.538 1.00 71.33 H new ATOM 0 HD2 LYS A 17 -4.001 0.848 -7.579 1.00 14.41 H new ATOM 0 HD3 LYS A 17 -5.251 -0.253 -8.123 1.00 14.41 H new ATOM 0 HE2 LYS A 17 -5.290 1.700 -9.556 1.00 22.03 H new ATOM 0 HE3 LYS A 17 -6.747 1.707 -8.582 1.00 22.03 H new ATOM 0 HZ1 LYS A 17 -5.310 3.845 -8.826 1.00 40.20 H new ATOM 0 HZ2 LYS A 17 -6.027 3.471 -7.332 1.00 40.20 H new ATOM 0 HZ3 LYS A 17 -4.379 3.149 -7.588 1.00 40.20 H new ATOM 269 N LYS A 18 -10.113 -0.931 -6.096 1.00 53.55 N ATOM 270 CA LYS A 18 -11.161 -1.854 -6.516 1.00 52.51 C ATOM 271 C LYS A 18 -12.465 -1.110 -6.787 1.00 10.31 C ATOM 272 O LYS A 18 -12.851 -0.913 -7.939 1.00 44.04 O ATOM 273 CB LYS A 18 -11.385 -2.924 -5.446 1.00 12.14 C ATOM 274 CG LYS A 18 -10.348 -4.033 -5.468 1.00 61.22 C ATOM 275 CD LYS A 18 -10.868 -5.296 -4.802 1.00 65.32 C ATOM 276 CE LYS A 18 -11.683 -6.141 -5.769 1.00 65.32 C ATOM 277 NZ LYS A 18 -12.029 -7.469 -5.190 1.00 12.54 N ATOM 0 H LYS A 18 -10.075 -0.766 -5.090 1.00 53.55 H new ATOM 0 HA LYS A 18 -10.839 -2.334 -7.440 1.00 52.51 H new ATOM 0 HB2 LYS A 18 -11.378 -2.451 -4.464 1.00 12.14 H new ATOM 0 HB3 LYS A 18 -12.374 -3.361 -5.582 1.00 12.14 H new ATOM 0 HG2 LYS A 18 -10.070 -4.252 -6.499 1.00 61.22 H new ATOM 0 HG3 LYS A 18 -9.444 -3.698 -4.959 1.00 61.22 H new ATOM 0 HD2 LYS A 18 -10.030 -5.881 -4.424 1.00 65.32 H new ATOM 0 HD3 LYS A 18 -11.483 -5.029 -3.943 1.00 65.32 H new ATOM 0 HE2 LYS A 18 -12.598 -5.610 -6.033 1.00 65.32 H new ATOM 0 HE3 LYS A 18 -11.120 -6.283 -6.691 1.00 65.32 H new ATOM 0 HZ1 LYS A 18 -12.584 -8.014 -5.880 1.00 12.54 H new ATOM 0 HZ2 LYS A 18 -11.156 -7.986 -4.962 1.00 12.54 H new ATOM 0 HZ3 LYS A 18 -12.589 -7.335 -4.324 1.00 12.54 H new ATOM 291 N ASP A 19 -13.138 -0.698 -5.719 1.00 15.45 N ATOM 292 CA ASP A 19 -14.398 0.027 -5.841 1.00 40.23 C ATOM 293 C ASP A 19 -14.495 1.129 -4.791 1.00 53.20 C ATOM 294 O ASP A 19 -13.873 1.067 -3.730 1.00 71.45 O ATOM 295 CB ASP A 19 -15.580 -0.934 -5.701 1.00 43.33 C ATOM 296 CG ASP A 19 -15.447 -1.842 -4.495 1.00 34.21 C ATOM 297 OD1 ASP A 19 -15.250 -1.320 -3.378 1.00 25.35 O ATOM 298 OD2 ASP A 19 -15.543 -3.075 -4.668 1.00 24.11 O ATOM 0 H ASP A 19 -12.832 -0.853 -4.758 1.00 15.45 H new ATOM 0 HA ASP A 19 -14.429 0.487 -6.828 1.00 40.23 H new ATOM 0 HB2 ASP A 19 -16.503 -0.360 -5.620 1.00 43.33 H new ATOM 0 HB3 ASP A 19 -15.660 -1.541 -6.603 1.00 43.33 H new ATOM 303 N PRO A 20 -15.294 2.164 -5.091 1.00 44.43 N ATOM 304 CA PRO A 20 -15.491 3.301 -4.186 1.00 62.42 C ATOM 305 C PRO A 20 -16.288 2.920 -2.943 1.00 61.02 C ATOM 306 O PRO A 20 -16.412 3.710 -2.008 1.00 73.24 O ATOM 307 CB PRO A 20 -16.275 4.301 -5.039 1.00 11.23 C ATOM 308 CG PRO A 20 -16.978 3.466 -6.053 1.00 0.15 C ATOM 309 CD PRO A 20 -16.066 2.305 -6.337 1.00 43.23 C ATOM 0 HA PRO A 20 -14.546 3.691 -3.809 1.00 62.42 H new ATOM 0 HB2 PRO A 20 -16.983 4.868 -4.434 1.00 11.23 H new ATOM 0 HB3 PRO A 20 -15.610 5.023 -5.513 1.00 11.23 H new ATOM 0 HG2 PRO A 20 -17.941 3.122 -5.676 1.00 0.15 H new ATOM 0 HG3 PRO A 20 -17.176 4.038 -6.960 1.00 0.15 H new ATOM 0 HD2 PRO A 20 -16.628 1.399 -6.566 1.00 43.23 H new ATOM 0 HD3 PRO A 20 -15.418 2.503 -7.191 1.00 43.23 H new ATOM 317 N ASN A 21 -16.826 1.705 -2.940 1.00 23.51 N ATOM 318 CA ASN A 21 -17.611 1.219 -1.811 1.00 53.40 C ATOM 319 C ASN A 21 -16.776 1.202 -0.534 1.00 40.15 C ATOM 320 O ASN A 21 -16.031 0.256 -0.281 1.00 42.20 O ATOM 321 CB ASN A 21 -18.148 -0.184 -2.102 1.00 0.43 C ATOM 322 CG ASN A 21 -19.311 -0.168 -3.075 1.00 1.41 C ATOM 323 OD1 ASN A 21 -19.139 -0.415 -4.269 1.00 33.04 O ATOM 324 ND2 ASN A 21 -20.503 0.125 -2.568 1.00 22.15 N ATOM 0 H ASN A 21 -16.733 1.039 -3.707 1.00 23.51 H new ATOM 0 HA ASN A 21 -18.451 1.899 -1.665 1.00 53.40 H new ATOM 0 HB2 ASN A 21 -17.346 -0.800 -2.509 1.00 0.43 H new ATOM 0 HB3 ASN A 21 -18.465 -0.649 -1.169 1.00 0.43 H new ATOM 0 HD21 ASN A 21 -21.323 0.152 -3.175 1.00 22.15 H new ATOM 0 HD22 ASN A 21 -20.599 0.323 -1.572 1.00 22.15 H new ATOM 331 N ALA A 22 -16.907 2.255 0.266 1.00 22.21 N ATOM 332 CA ALA A 22 -16.167 2.360 1.517 1.00 24.44 C ATOM 333 C ALA A 22 -17.101 2.664 2.684 1.00 65.51 C ATOM 334 O ALA A 22 -18.226 3.130 2.504 1.00 22.34 O ATOM 335 CB ALA A 22 -15.092 3.431 1.407 1.00 64.34 C ATOM 0 H ALA A 22 -17.519 3.047 0.070 1.00 22.21 H new ATOM 0 HA ALA A 22 -15.689 1.399 1.708 1.00 24.44 H new ATOM 0 HB1 ALA A 22 -14.548 3.498 2.349 1.00 64.34 H new ATOM 0 HB2 ALA A 22 -14.400 3.171 0.606 1.00 64.34 H new ATOM 0 HB3 ALA A 22 -15.557 4.392 1.188 1.00 64.34 H new ATOM 341 N PRO A 23 -16.626 2.393 3.909 1.00 42.51 N ATOM 342 CA PRO A 23 -17.403 2.630 5.129 1.00 10.31 C ATOM 343 C PRO A 23 -17.586 4.116 5.421 1.00 70.24 C ATOM 344 O PRO A 23 -16.619 4.877 5.450 1.00 50.42 O ATOM 345 CB PRO A 23 -16.558 1.971 6.222 1.00 44.23 C ATOM 346 CG PRO A 23 -15.167 1.990 5.688 1.00 41.12 C ATOM 347 CD PRO A 23 -15.293 1.837 4.197 1.00 34.33 C ATOM 0 HA PRO A 23 -18.414 2.229 5.052 1.00 10.31 H new ATOM 0 HB2 PRO A 23 -16.629 2.519 7.162 1.00 44.23 H new ATOM 0 HB3 PRO A 23 -16.892 0.953 6.421 1.00 44.23 H new ATOM 0 HG2 PRO A 23 -14.664 2.923 5.943 1.00 41.12 H new ATOM 0 HG3 PRO A 23 -14.574 1.181 6.115 1.00 41.12 H new ATOM 0 HD2 PRO A 23 -14.509 2.380 3.670 1.00 34.33 H new ATOM 0 HD3 PRO A 23 -15.218 0.793 3.892 1.00 34.33 H new ATOM 355 N LYS A 24 -18.832 4.522 5.636 1.00 14.45 N ATOM 356 CA LYS A 24 -19.143 5.917 5.928 1.00 72.12 C ATOM 357 C LYS A 24 -19.263 6.145 7.431 1.00 2.02 C ATOM 358 O LYS A 24 -19.965 7.053 7.877 1.00 71.32 O ATOM 359 CB LYS A 24 -20.444 6.327 5.234 1.00 73.40 C ATOM 360 CG LYS A 24 -20.257 6.734 3.783 1.00 75.24 C ATOM 361 CD LYS A 24 -19.857 5.550 2.918 1.00 21.14 C ATOM 362 CE LYS A 24 -19.890 5.903 1.439 1.00 31.04 C ATOM 363 NZ LYS A 24 -21.231 5.656 0.840 1.00 22.11 N ATOM 0 H LYS A 24 -19.644 3.905 5.614 1.00 14.45 H new ATOM 0 HA LYS A 24 -18.327 6.532 5.549 1.00 72.12 H new ATOM 0 HB2 LYS A 24 -21.149 5.497 5.282 1.00 73.40 H new ATOM 0 HB3 LYS A 24 -20.892 7.157 5.781 1.00 73.40 H new ATOM 0 HG2 LYS A 24 -21.183 7.167 3.403 1.00 75.24 H new ATOM 0 HG3 LYS A 24 -19.493 7.508 3.717 1.00 75.24 H new ATOM 0 HD2 LYS A 24 -18.855 5.220 3.192 1.00 21.14 H new ATOM 0 HD3 LYS A 24 -20.531 4.715 3.109 1.00 21.14 H new ATOM 0 HE2 LYS A 24 -19.622 6.952 1.310 1.00 31.04 H new ATOM 0 HE3 LYS A 24 -19.141 5.315 0.908 1.00 31.04 H new ATOM 0 HZ1 LYS A 24 -21.213 5.909 -0.169 1.00 22.11 H new ATOM 0 HZ2 LYS A 24 -21.476 4.650 0.940 1.00 22.11 H new ATOM 0 HZ3 LYS A 24 -21.942 6.236 1.329 1.00 22.11 H new ATOM 377 N ARG A 25 -18.572 5.317 8.208 1.00 61.23 N ATOM 378 CA ARG A 25 -18.601 5.429 9.661 1.00 41.10 C ATOM 379 C ARG A 25 -18.245 6.845 10.104 1.00 4.01 C ATOM 380 O ARG A 25 -17.097 7.273 9.984 1.00 12.31 O ATOM 381 CB ARG A 25 -17.632 4.427 10.291 1.00 64.04 C ATOM 382 CG ARG A 25 -17.424 4.635 11.782 1.00 40.11 C ATOM 383 CD ARG A 25 -18.743 4.603 12.538 1.00 51.13 C ATOM 384 NE ARG A 25 -19.415 3.313 12.412 1.00 72.45 N ATOM 385 CZ ARG A 25 -19.031 2.218 13.058 1.00 20.40 C ATOM 386 NH1 ARG A 25 -17.985 2.257 13.872 1.00 32.01 N ATOM 387 NH2 ARG A 25 -19.694 1.080 12.891 1.00 3.32 N ATOM 0 H ARG A 25 -17.985 4.561 7.855 1.00 61.23 H new ATOM 0 HA ARG A 25 -19.613 5.205 9.997 1.00 41.10 H new ATOM 0 HB2 ARG A 25 -18.006 3.417 10.123 1.00 64.04 H new ATOM 0 HB3 ARG A 25 -16.669 4.498 9.785 1.00 64.04 H new ATOM 0 HG2 ARG A 25 -16.762 3.861 12.170 1.00 40.11 H new ATOM 0 HG3 ARG A 25 -16.929 5.591 11.952 1.00 40.11 H new ATOM 0 HD2 ARG A 25 -18.562 4.816 13.592 1.00 51.13 H new ATOM 0 HD3 ARG A 25 -19.396 5.390 12.161 1.00 51.13 H new ATOM 0 HE ARG A 25 -20.224 3.249 11.794 1.00 72.45 H new ATOM 0 HH11 ARG A 25 -17.473 3.129 14.003 1.00 32.01 H new ATOM 0 HH12 ARG A 25 -17.692 1.415 14.367 1.00 32.01 H new ATOM 0 HH21 ARG A 25 -20.499 1.046 12.266 1.00 3.32 H new ATOM 0 HH22 ARG A 25 -19.398 0.240 13.388 1.00 3.32 H new ATOM 401 N ALA A 26 -19.236 7.566 10.616 1.00 14.51 N ATOM 402 CA ALA A 26 -19.027 8.933 11.078 1.00 34.03 C ATOM 403 C ALA A 26 -17.849 9.012 12.043 1.00 42.13 C ATOM 404 O ALA A 26 -17.397 7.996 12.572 1.00 32.31 O ATOM 405 CB ALA A 26 -20.290 9.465 11.740 1.00 1.11 C ATOM 0 H ALA A 26 -20.192 7.227 10.722 1.00 14.51 H new ATOM 0 HA ALA A 26 -18.795 9.552 10.211 1.00 34.03 H new ATOM 0 HB1 ALA A 26 -20.120 10.486 12.080 1.00 1.11 H new ATOM 0 HB2 ALA A 26 -21.110 9.454 11.022 1.00 1.11 H new ATOM 0 HB3 ALA A 26 -20.546 8.836 12.593 1.00 1.11 H new ATOM 411 N LEU A 27 -17.354 10.224 12.266 1.00 0.44 N ATOM 412 CA LEU A 27 -16.226 10.436 13.167 1.00 13.33 C ATOM 413 C LEU A 27 -16.591 10.049 14.597 1.00 71.12 C ATOM 414 O LEU A 27 -17.587 10.523 15.144 1.00 23.20 O ATOM 415 CB LEU A 27 -15.779 11.898 13.121 1.00 11.43 C ATOM 416 CG LEU A 27 -14.759 12.255 12.039 1.00 21.53 C ATOM 417 CD1 LEU A 27 -15.134 11.604 10.717 1.00 72.11 C ATOM 418 CD2 LEU A 27 -14.654 13.764 11.882 1.00 45.40 C ATOM 0 H LEU A 27 -17.716 11.075 11.836 1.00 0.44 H new ATOM 0 HA LEU A 27 -15.404 9.801 12.836 1.00 13.33 H new ATOM 0 HB2 LEU A 27 -16.661 12.522 12.980 1.00 11.43 H new ATOM 0 HB3 LEU A 27 -15.356 12.158 14.091 1.00 11.43 H new ATOM 0 HG LEU A 27 -13.785 11.874 12.345 1.00 21.53 H new ATOM 0 HD11 LEU A 27 -14.397 11.869 9.959 1.00 72.11 H new ATOM 0 HD12 LEU A 27 -15.156 10.521 10.838 1.00 72.11 H new ATOM 0 HD13 LEU A 27 -16.118 11.955 10.405 1.00 72.11 H new ATOM 0 HD21 LEU A 27 -13.924 13.999 11.108 1.00 45.40 H new ATOM 0 HD22 LEU A 27 -15.626 14.169 11.599 1.00 45.40 H new ATOM 0 HD23 LEU A 27 -14.337 14.207 12.826 1.00 45.40 H new ATOM 430 N SER A 28 -15.777 9.186 15.197 1.00 52.22 N ATOM 431 CA SER A 28 -16.015 8.734 16.562 1.00 20.15 C ATOM 432 C SER A 28 -16.211 9.920 17.501 1.00 0.43 C ATOM 433 O SER A 28 -15.945 11.065 17.136 1.00 1.54 O ATOM 434 CB SER A 28 -14.847 7.873 17.048 1.00 73.44 C ATOM 435 OG SER A 28 -15.144 6.493 16.920 1.00 63.24 O ATOM 0 H SER A 28 -14.947 8.786 14.759 1.00 52.22 H new ATOM 0 HA SER A 28 -16.926 8.135 16.566 1.00 20.15 H new ATOM 0 HB2 SER A 28 -13.952 8.111 16.473 1.00 73.44 H new ATOM 0 HB3 SER A 28 -14.628 8.106 18.090 1.00 73.44 H new ATOM 0 HG SER A 28 -14.382 5.964 17.235 1.00 63.24 H new ATOM 441 N SER A 29 -16.679 9.637 18.713 1.00 45.30 N ATOM 442 CA SER A 29 -16.914 10.680 19.704 1.00 14.42 C ATOM 443 C SER A 29 -15.597 11.193 20.278 1.00 62.30 C ATOM 444 O SER A 29 -15.226 12.349 20.075 1.00 14.21 O ATOM 445 CB SER A 29 -17.803 10.151 20.831 1.00 21.35 C ATOM 446 OG SER A 29 -17.314 8.917 21.329 1.00 1.44 O ATOM 0 H SER A 29 -16.903 8.694 19.032 1.00 45.30 H new ATOM 0 HA SER A 29 -17.421 11.508 19.209 1.00 14.42 H new ATOM 0 HB2 SER A 29 -17.845 10.882 21.639 1.00 21.35 H new ATOM 0 HB3 SER A 29 -18.821 10.021 20.465 1.00 21.35 H new ATOM 0 HG SER A 29 -16.852 9.068 22.180 1.00 1.44 H new ATOM 452 N TYR A 30 -14.894 10.323 20.995 1.00 3.41 N ATOM 453 CA TYR A 30 -13.618 10.687 21.601 1.00 13.01 C ATOM 454 C TYR A 30 -12.482 10.568 20.590 1.00 5.55 C ATOM 455 O TYR A 30 -11.515 11.329 20.635 1.00 22.53 O ATOM 456 CB TYR A 30 -13.333 9.798 22.813 1.00 74.24 C ATOM 457 CG TYR A 30 -14.370 9.915 23.907 1.00 73.22 C ATOM 458 CD1 TYR A 30 -14.448 11.054 24.698 1.00 2.33 C ATOM 459 CD2 TYR A 30 -15.272 8.886 24.150 1.00 23.10 C ATOM 460 CE1 TYR A 30 -15.393 11.166 25.700 1.00 60.53 C ATOM 461 CE2 TYR A 30 -16.221 8.989 25.148 1.00 10.02 C ATOM 462 CZ TYR A 30 -16.278 10.131 25.920 1.00 24.54 C ATOM 463 OH TYR A 30 -17.221 10.237 26.917 1.00 61.54 O ATOM 0 H TYR A 30 -15.186 9.362 21.171 1.00 3.41 H new ATOM 0 HA TYR A 30 -13.682 11.725 21.928 1.00 13.01 H new ATOM 0 HB2 TYR A 30 -13.277 8.760 22.486 1.00 74.24 H new ATOM 0 HB3 TYR A 30 -12.356 10.057 23.221 1.00 74.24 H new ATOM 0 HD1 TYR A 30 -13.758 11.867 24.527 1.00 2.33 H new ATOM 0 HD2 TYR A 30 -15.230 7.990 23.548 1.00 23.10 H new ATOM 0 HE1 TYR A 30 -15.438 12.058 26.307 1.00 60.53 H new ATOM 0 HE2 TYR A 30 -16.915 8.180 25.323 1.00 10.02 H new ATOM 0 HH TYR A 30 -17.766 9.423 26.940 1.00 61.54 H new ATOM 473 N MET A 31 -12.606 9.609 19.679 1.00 14.12 N ATOM 474 CA MET A 31 -11.591 9.391 18.656 1.00 41.25 C ATOM 475 C MET A 31 -11.671 10.463 17.573 1.00 35.10 C ATOM 476 O MET A 31 -10.833 10.515 16.673 1.00 22.51 O ATOM 477 CB MET A 31 -11.756 8.005 18.030 1.00 21.32 C ATOM 478 CG MET A 31 -10.487 7.169 18.062 1.00 23.33 C ATOM 479 SD MET A 31 -9.966 6.761 19.740 1.00 61.14 S ATOM 480 CE MET A 31 -11.358 5.782 20.298 1.00 60.22 C ATOM 0 H MET A 31 -13.400 8.970 19.628 1.00 14.12 H new ATOM 0 HA MET A 31 -10.613 9.453 19.132 1.00 41.25 H new ATOM 0 HB2 MET A 31 -12.547 7.470 18.555 1.00 21.32 H new ATOM 0 HB3 MET A 31 -12.080 8.119 16.996 1.00 21.32 H new ATOM 0 HG2 MET A 31 -10.649 6.248 17.502 1.00 23.33 H new ATOM 0 HG3 MET A 31 -9.686 7.711 17.559 1.00 23.33 H new ATOM 0 HE1 MET A 31 -11.046 5.145 21.126 1.00 60.22 H new ATOM 0 HE2 MET A 31 -12.158 6.443 20.630 1.00 60.22 H new ATOM 0 HE3 MET A 31 -11.718 5.161 19.478 1.00 60.22 H new ATOM 490 N PHE A 32 -12.686 11.317 17.666 1.00 23.41 N ATOM 491 CA PHE A 32 -12.876 12.386 16.694 1.00 51.43 C ATOM 492 C PHE A 32 -11.555 13.086 16.389 1.00 43.00 C ATOM 493 O PHE A 32 -11.326 13.546 15.270 1.00 73.21 O ATOM 494 CB PHE A 32 -13.896 13.402 17.214 1.00 64.20 C ATOM 495 CG PHE A 32 -13.325 14.365 18.216 1.00 71.24 C ATOM 496 CD1 PHE A 32 -12.874 13.918 19.447 1.00 32.31 C ATOM 497 CD2 PHE A 32 -13.239 15.717 17.925 1.00 31.24 C ATOM 498 CE1 PHE A 32 -12.350 14.802 20.371 1.00 65.23 C ATOM 499 CE2 PHE A 32 -12.715 16.606 18.845 1.00 20.30 C ATOM 500 CZ PHE A 32 -12.269 16.147 20.069 1.00 43.31 C ATOM 0 H PHE A 32 -13.389 11.289 18.405 1.00 23.41 H new ATOM 0 HA PHE A 32 -13.253 11.942 15.773 1.00 51.43 H new ATOM 0 HB2 PHE A 32 -14.300 13.963 16.371 1.00 64.20 H new ATOM 0 HB3 PHE A 32 -14.730 12.868 17.670 1.00 64.20 H new ATOM 0 HD1 PHE A 32 -12.933 12.867 19.687 1.00 32.31 H new ATOM 0 HD2 PHE A 32 -13.585 16.080 16.969 1.00 31.24 H new ATOM 0 HE1 PHE A 32 -12.004 14.441 21.328 1.00 65.23 H new ATOM 0 HE2 PHE A 32 -12.654 17.658 18.607 1.00 20.30 H new ATOM 0 HZ PHE A 32 -11.858 16.839 20.789 1.00 43.31 H new ATOM 510 N PHE A 33 -10.688 13.163 17.393 1.00 3.12 N ATOM 511 CA PHE A 33 -9.389 13.808 17.234 1.00 34.24 C ATOM 512 C PHE A 33 -8.641 13.235 16.035 1.00 64.43 C ATOM 513 O PHE A 33 -8.180 13.974 15.166 1.00 3.30 O ATOM 514 CB PHE A 33 -8.552 13.635 18.503 1.00 23.40 C ATOM 515 CG PHE A 33 -7.154 14.169 18.376 1.00 63.22 C ATOM 516 CD1 PHE A 33 -6.927 15.440 17.873 1.00 64.42 C ATOM 517 CD2 PHE A 33 -6.067 13.400 18.759 1.00 64.21 C ATOM 518 CE1 PHE A 33 -5.641 15.935 17.755 1.00 74.52 C ATOM 519 CE2 PHE A 33 -4.779 13.889 18.644 1.00 53.54 C ATOM 520 CZ PHE A 33 -4.566 15.158 18.140 1.00 73.22 C ATOM 0 H PHE A 33 -10.861 12.787 18.325 1.00 3.12 H new ATOM 0 HA PHE A 33 -9.557 14.871 17.060 1.00 34.24 H new ATOM 0 HB2 PHE A 33 -9.052 14.140 19.330 1.00 23.40 H new ATOM 0 HB3 PHE A 33 -8.506 12.576 18.757 1.00 23.40 H new ATOM 0 HD1 PHE A 33 -7.764 16.051 17.570 1.00 64.42 H new ATOM 0 HD2 PHE A 33 -6.228 12.407 19.152 1.00 64.21 H new ATOM 0 HE1 PHE A 33 -5.478 16.928 17.362 1.00 74.52 H new ATOM 0 HE2 PHE A 33 -3.940 13.280 18.948 1.00 53.54 H new ATOM 0 HZ PHE A 33 -3.561 15.542 18.047 1.00 73.22 H new ATOM 530 N ALA A 34 -8.523 11.911 15.995 1.00 14.42 N ATOM 531 CA ALA A 34 -7.832 11.238 14.903 1.00 54.04 C ATOM 532 C ALA A 34 -8.763 11.024 13.714 1.00 71.42 C ATOM 533 O ALA A 34 -8.375 11.227 12.563 1.00 22.02 O ATOM 534 CB ALA A 34 -7.264 9.909 15.377 1.00 32.30 C ATOM 0 H ALA A 34 -8.898 11.284 16.707 1.00 14.42 H new ATOM 0 HA ALA A 34 -7.010 11.876 14.578 1.00 54.04 H new ATOM 0 HB1 ALA A 34 -6.751 9.417 14.551 1.00 32.30 H new ATOM 0 HB2 ALA A 34 -6.559 10.084 16.190 1.00 32.30 H new ATOM 0 HB3 ALA A 34 -8.075 9.272 15.731 1.00 32.30 H new ATOM 540 N LYS A 35 -9.993 10.611 13.999 1.00 75.25 N ATOM 541 CA LYS A 35 -10.981 10.369 12.953 1.00 20.14 C ATOM 542 C LYS A 35 -11.220 11.629 12.128 1.00 3.31 C ATOM 543 O LYS A 35 -11.694 11.559 10.995 1.00 33.20 O ATOM 544 CB LYS A 35 -12.299 9.892 13.569 1.00 44.24 C ATOM 545 CG LYS A 35 -12.174 8.590 14.341 1.00 45.14 C ATOM 546 CD LYS A 35 -11.551 7.495 13.490 1.00 3.45 C ATOM 547 CE LYS A 35 -12.379 7.218 12.245 1.00 23.32 C ATOM 548 NZ LYS A 35 -12.743 5.778 12.131 1.00 41.30 N ATOM 0 H LYS A 35 -10.330 10.437 14.946 1.00 75.25 H new ATOM 0 HA LYS A 35 -10.593 9.593 12.294 1.00 20.14 H new ATOM 0 HB2 LYS A 35 -12.679 10.665 14.237 1.00 44.24 H new ATOM 0 HB3 LYS A 35 -13.036 9.765 12.776 1.00 44.24 H new ATOM 0 HG2 LYS A 35 -11.566 8.751 15.231 1.00 45.14 H new ATOM 0 HG3 LYS A 35 -13.159 8.272 14.681 1.00 45.14 H new ATOM 0 HD2 LYS A 35 -10.542 7.788 13.200 1.00 3.45 H new ATOM 0 HD3 LYS A 35 -11.461 6.582 14.079 1.00 3.45 H new ATOM 0 HE2 LYS A 35 -13.286 7.821 12.271 1.00 23.32 H new ATOM 0 HE3 LYS A 35 -11.819 7.522 11.361 1.00 23.32 H new ATOM 0 HZ1 LYS A 35 -13.569 5.677 11.508 1.00 41.30 H new ATOM 0 HZ2 LYS A 35 -11.942 5.248 11.732 1.00 41.30 H new ATOM 0 HZ3 LYS A 35 -12.972 5.402 13.073 1.00 41.30 H new ATOM 562 N GLU A 36 -10.886 12.780 12.704 1.00 50.24 N ATOM 563 CA GLU A 36 -11.064 14.056 12.019 1.00 32.54 C ATOM 564 C GLU A 36 -10.305 14.074 10.696 1.00 61.41 C ATOM 565 O GLU A 36 -10.643 14.827 9.783 1.00 41.40 O ATOM 566 CB GLU A 36 -10.589 15.207 12.908 1.00 14.11 C ATOM 567 CG GLU A 36 -10.612 16.559 12.216 1.00 50.41 C ATOM 568 CD GLU A 36 -9.229 17.028 11.806 1.00 14.43 C ATOM 569 OE1 GLU A 36 -8.276 16.813 12.584 1.00 12.41 O ATOM 570 OE2 GLU A 36 -9.100 17.610 10.709 1.00 14.20 O ATOM 0 H GLU A 36 -10.491 12.855 13.642 1.00 50.24 H new ATOM 0 HA GLU A 36 -12.126 14.182 11.810 1.00 32.54 H new ATOM 0 HB2 GLU A 36 -11.218 15.252 13.797 1.00 14.11 H new ATOM 0 HB3 GLU A 36 -9.574 14.999 13.247 1.00 14.11 H new ATOM 0 HG2 GLU A 36 -11.248 16.500 11.333 1.00 50.41 H new ATOM 0 HG3 GLU A 36 -11.059 17.297 12.882 1.00 50.41 H new ATOM 577 N LYS A 37 -9.276 13.238 10.599 1.00 11.34 N ATOM 578 CA LYS A 37 -8.468 13.156 9.389 1.00 43.03 C ATOM 579 C LYS A 37 -9.171 12.325 8.320 1.00 21.14 C ATOM 580 O LYS A 37 -8.714 12.248 7.180 1.00 50.32 O ATOM 581 CB LYS A 37 -7.099 12.548 9.705 1.00 75.42 C ATOM 582 CG LYS A 37 -7.138 11.045 9.926 1.00 13.42 C ATOM 583 CD LYS A 37 -6.061 10.597 10.900 1.00 40.25 C ATOM 584 CE LYS A 37 -6.130 9.100 11.157 1.00 72.34 C ATOM 585 NZ LYS A 37 -7.451 8.693 11.712 1.00 63.43 N ATOM 0 H LYS A 37 -8.982 12.607 11.345 1.00 11.34 H new ATOM 0 HA LYS A 37 -8.330 14.167 9.005 1.00 43.03 H new ATOM 0 HB2 LYS A 37 -6.415 12.769 8.886 1.00 75.42 H new ATOM 0 HB3 LYS A 37 -6.695 13.028 10.596 1.00 75.42 H new ATOM 0 HG2 LYS A 37 -8.118 10.758 10.308 1.00 13.42 H new ATOM 0 HG3 LYS A 37 -7.004 10.533 8.973 1.00 13.42 H new ATOM 0 HD2 LYS A 37 -5.079 10.854 10.502 1.00 40.25 H new ATOM 0 HD3 LYS A 37 -6.174 11.134 11.842 1.00 40.25 H new ATOM 0 HE2 LYS A 37 -5.946 8.563 10.227 1.00 72.34 H new ATOM 0 HE3 LYS A 37 -5.340 8.814 11.852 1.00 72.34 H new ATOM 0 HZ1 LYS A 37 -7.307 8.149 12.587 1.00 63.43 H new ATOM 0 HZ2 LYS A 37 -8.016 9.541 11.920 1.00 63.43 H new ATOM 0 HZ3 LYS A 37 -7.953 8.104 11.017 1.00 63.43 H new ATOM 599 N ARG A 38 -10.285 11.705 8.697 1.00 3.41 N ATOM 600 CA ARG A 38 -11.051 10.880 7.771 1.00 43.42 C ATOM 601 C ARG A 38 -11.350 11.643 6.483 1.00 21.14 C ATOM 602 O ARG A 38 -11.386 11.061 5.399 1.00 54.30 O ATOM 603 CB ARG A 38 -12.358 10.425 8.422 1.00 61.43 C ATOM 604 CG ARG A 38 -13.122 9.399 7.600 1.00 12.22 C ATOM 605 CD ARG A 38 -14.535 9.203 8.128 1.00 24.04 C ATOM 606 NE ARG A 38 -15.100 7.921 7.717 1.00 24.41 N ATOM 607 CZ ARG A 38 -14.706 6.752 8.211 1.00 34.03 C ATOM 608 NH1 ARG A 38 -13.752 6.704 9.130 1.00 1.43 N ATOM 609 NH2 ARG A 38 -15.269 5.628 7.787 1.00 62.34 N ATOM 0 H ARG A 38 -10.677 11.759 9.637 1.00 3.41 H new ATOM 0 HA ARG A 38 -10.452 10.004 7.523 1.00 43.42 H new ATOM 0 HB2 ARG A 38 -12.138 10.002 9.402 1.00 61.43 H new ATOM 0 HB3 ARG A 38 -12.995 11.294 8.586 1.00 61.43 H new ATOM 0 HG2 ARG A 38 -13.163 9.722 6.560 1.00 12.22 H new ATOM 0 HG3 ARG A 38 -12.590 8.448 7.618 1.00 12.22 H new ATOM 0 HD2 ARG A 38 -14.527 9.263 9.216 1.00 24.04 H new ATOM 0 HD3 ARG A 38 -15.172 10.012 7.769 1.00 24.04 H new ATOM 0 HE ARG A 38 -15.837 7.923 7.012 1.00 24.41 H new ATOM 0 HH11 ARG A 38 -13.318 7.566 9.460 1.00 1.43 H new ATOM 0 HH12 ARG A 38 -13.452 5.805 9.507 1.00 1.43 H new ATOM 0 HH21 ARG A 38 -16.005 5.661 7.081 1.00 62.34 H new ATOM 0 HH22 ARG A 38 -14.966 4.731 8.167 1.00 62.34 H new ATOM 623 N VAL A 39 -11.564 12.949 6.611 1.00 31.42 N ATOM 624 CA VAL A 39 -11.860 13.791 5.459 1.00 43.34 C ATOM 625 C VAL A 39 -10.762 13.686 4.405 1.00 15.34 C ATOM 626 O VAL A 39 -10.979 14.002 3.236 1.00 34.10 O ATOM 627 CB VAL A 39 -12.023 15.267 5.869 1.00 24.21 C ATOM 628 CG1 VAL A 39 -12.271 16.137 4.647 1.00 43.14 C ATOM 629 CG2 VAL A 39 -13.151 15.417 6.879 1.00 44.14 C ATOM 0 H VAL A 39 -11.538 13.446 7.501 1.00 31.42 H new ATOM 0 HA VAL A 39 -12.800 13.433 5.038 1.00 43.34 H new ATOM 0 HB VAL A 39 -11.098 15.600 6.339 1.00 24.21 H new ATOM 0 HG11 VAL A 39 -12.384 17.176 4.957 1.00 43.14 H new ATOM 0 HG12 VAL A 39 -11.427 16.052 3.962 1.00 43.14 H new ATOM 0 HG13 VAL A 39 -13.180 15.808 4.144 1.00 43.14 H new ATOM 0 HG21 VAL A 39 -13.253 16.466 7.158 1.00 44.14 H new ATOM 0 HG22 VAL A 39 -14.084 15.067 6.437 1.00 44.14 H new ATOM 0 HG23 VAL A 39 -12.926 14.826 7.767 1.00 44.14 H new ATOM 639 N GLU A 40 -9.584 13.240 4.829 1.00 41.32 N ATOM 640 CA GLU A 40 -8.452 13.094 3.921 1.00 52.20 C ATOM 641 C GLU A 40 -8.711 11.987 2.903 1.00 25.23 C ATOM 642 O GLU A 40 -8.176 12.012 1.794 1.00 33.01 O ATOM 643 CB GLU A 40 -7.175 12.791 4.707 1.00 1.52 C ATOM 644 CG GLU A 40 -5.919 12.795 3.852 1.00 3.15 C ATOM 645 CD GLU A 40 -5.928 13.893 2.806 1.00 31.24 C ATOM 646 OE1 GLU A 40 -6.096 15.071 3.185 1.00 33.02 O ATOM 647 OE2 GLU A 40 -5.768 13.574 1.610 1.00 44.22 O ATOM 0 H GLU A 40 -9.389 12.974 5.794 1.00 41.32 H new ATOM 0 HA GLU A 40 -8.325 14.035 3.385 1.00 52.20 H new ATOM 0 HB2 GLU A 40 -7.065 13.527 5.503 1.00 1.52 H new ATOM 0 HB3 GLU A 40 -7.275 11.817 5.186 1.00 1.52 H new ATOM 0 HG2 GLU A 40 -5.047 12.918 4.495 1.00 3.15 H new ATOM 0 HG3 GLU A 40 -5.817 11.829 3.358 1.00 3.15 H new ATOM 654 N ILE A 41 -9.532 11.017 3.289 1.00 32.44 N ATOM 655 CA ILE A 41 -9.862 9.901 2.411 1.00 22.13 C ATOM 656 C ILE A 41 -10.352 10.395 1.055 1.00 41.25 C ATOM 657 O ILE A 41 -10.235 9.695 0.048 1.00 0.04 O ATOM 658 CB ILE A 41 -10.939 8.993 3.034 1.00 11.51 C ATOM 659 CG1 ILE A 41 -12.280 9.727 3.098 1.00 53.02 C ATOM 660 CG2 ILE A 41 -10.511 8.539 4.422 1.00 53.13 C ATOM 661 CD1 ILE A 41 -13.227 9.353 1.979 1.00 34.33 C ATOM 0 H ILE A 41 -9.981 10.981 4.204 1.00 32.44 H new ATOM 0 HA ILE A 41 -8.947 9.325 2.276 1.00 22.13 H new ATOM 0 HB ILE A 41 -11.058 8.111 2.405 1.00 11.51 H new ATOM 0 HG12 ILE A 41 -12.757 9.512 4.054 1.00 53.02 H new ATOM 0 HG13 ILE A 41 -12.099 10.801 3.066 1.00 53.02 H new ATOM 0 HG21 ILE A 41 -11.282 7.898 4.849 1.00 53.13 H new ATOM 0 HG22 ILE A 41 -9.576 7.983 4.351 1.00 53.13 H new ATOM 0 HG23 ILE A 41 -10.368 9.410 5.062 1.00 53.13 H new ATOM 0 HD11 ILE A 41 -14.157 9.911 2.088 1.00 34.33 H new ATOM 0 HD12 ILE A 41 -12.769 9.593 1.019 1.00 34.33 H new ATOM 0 HD13 ILE A 41 -13.438 8.285 2.023 1.00 34.33 H new ATOM 673 N ILE A 42 -10.899 11.606 1.035 1.00 61.15 N ATOM 674 CA ILE A 42 -11.404 12.195 -0.199 1.00 41.23 C ATOM 675 C ILE A 42 -10.358 12.130 -1.308 1.00 15.24 C ATOM 676 O ILE A 42 -10.695 12.045 -2.488 1.00 72.51 O ATOM 677 CB ILE A 42 -11.825 13.662 0.008 1.00 21.04 C ATOM 678 CG1 ILE A 42 -12.634 14.158 -1.192 1.00 4.21 C ATOM 679 CG2 ILE A 42 -10.601 14.538 0.228 1.00 2.30 C ATOM 680 CD1 ILE A 42 -11.788 14.818 -2.259 1.00 15.12 C ATOM 0 H ILE A 42 -11.004 12.198 1.859 1.00 61.15 H new ATOM 0 HA ILE A 42 -12.278 11.613 -0.492 1.00 41.23 H new ATOM 0 HB ILE A 42 -12.455 13.722 0.896 1.00 21.04 H new ATOM 0 HG12 ILE A 42 -13.169 13.316 -1.632 1.00 4.21 H new ATOM 0 HG13 ILE A 42 -13.386 14.867 -0.845 1.00 4.21 H new ATOM 0 HG21 ILE A 42 -10.915 15.572 0.373 1.00 2.30 H new ATOM 0 HG22 ILE A 42 -10.062 14.195 1.111 1.00 2.30 H new ATOM 0 HG23 ILE A 42 -9.948 14.476 -0.642 1.00 2.30 H new ATOM 0 HD11 ILE A 42 -12.427 15.145 -3.079 1.00 15.12 H new ATOM 0 HD12 ILE A 42 -11.274 15.680 -1.834 1.00 15.12 H new ATOM 0 HD13 ILE A 42 -11.053 14.105 -2.633 1.00 15.12 H new ATOM 692 N ALA A 43 -9.088 12.170 -0.919 1.00 34.35 N ATOM 693 CA ALA A 43 -7.993 12.111 -1.879 1.00 11.34 C ATOM 694 C ALA A 43 -7.730 10.677 -2.325 1.00 1.15 C ATOM 695 O ALA A 43 -7.539 10.412 -3.511 1.00 11.01 O ATOM 696 CB ALA A 43 -6.734 12.720 -1.280 1.00 25.41 C ATOM 0 H ALA A 43 -8.792 12.243 0.054 1.00 34.35 H new ATOM 0 HA ALA A 43 -8.280 12.689 -2.757 1.00 11.34 H new ATOM 0 HB1 ALA A 43 -5.924 12.670 -2.007 1.00 25.41 H new ATOM 0 HB2 ALA A 43 -6.922 13.761 -1.018 1.00 25.41 H new ATOM 0 HB3 ALA A 43 -6.453 12.166 -0.384 1.00 25.41 H new ATOM 702 N GLU A 44 -7.720 9.756 -1.366 1.00 14.33 N ATOM 703 CA GLU A 44 -7.479 8.349 -1.661 1.00 63.04 C ATOM 704 C GLU A 44 -8.580 7.783 -2.553 1.00 52.43 C ATOM 705 O GLU A 44 -8.362 6.827 -3.296 1.00 11.30 O ATOM 706 CB GLU A 44 -7.391 7.540 -0.365 1.00 53.33 C ATOM 707 CG GLU A 44 -7.060 6.074 -0.584 1.00 74.42 C ATOM 708 CD GLU A 44 -5.874 5.875 -1.507 1.00 61.33 C ATOM 709 OE1 GLU A 44 -4.919 6.676 -1.428 1.00 72.44 O ATOM 710 OE2 GLU A 44 -5.901 4.917 -2.309 1.00 4.13 O ATOM 0 H GLU A 44 -7.876 9.959 -0.379 1.00 14.33 H new ATOM 0 HA GLU A 44 -6.530 8.274 -2.193 1.00 63.04 H new ATOM 0 HB2 GLU A 44 -6.631 7.983 0.279 1.00 53.33 H new ATOM 0 HB3 GLU A 44 -8.341 7.614 0.165 1.00 53.33 H new ATOM 0 HG2 GLU A 44 -6.850 5.605 0.377 1.00 74.42 H new ATOM 0 HG3 GLU A 44 -7.930 5.568 -1.002 1.00 74.42 H new ATOM 717 N ASN A 45 -9.764 8.382 -2.473 1.00 32.11 N ATOM 718 CA ASN A 45 -10.901 7.938 -3.272 1.00 22.25 C ATOM 719 C ASN A 45 -11.352 9.034 -4.232 1.00 60.33 C ATOM 720 O ASN A 45 -12.393 9.665 -4.048 1.00 42.14 O ATOM 721 CB ASN A 45 -12.062 7.532 -2.362 1.00 31.40 C ATOM 722 CG ASN A 45 -12.153 6.029 -2.176 1.00 41.22 C ATOM 723 OD1 ASN A 45 -11.262 5.410 -1.594 1.00 73.45 O ATOM 724 ND2 ASN A 45 -13.233 5.436 -2.672 1.00 1.24 N ATOM 0 H ASN A 45 -9.961 9.176 -1.863 1.00 32.11 H new ATOM 0 HA ASN A 45 -10.587 7.074 -3.857 1.00 22.25 H new ATOM 0 HB2 ASN A 45 -11.942 8.009 -1.389 1.00 31.40 H new ATOM 0 HB3 ASN A 45 -12.997 7.900 -2.784 1.00 31.40 H new ATOM 0 HD21 ASN A 45 -13.349 4.427 -2.578 1.00 1.24 H new ATOM 0 HD22 ASN A 45 -13.946 5.990 -3.147 1.00 1.24 H new ATOM 731 N PRO A 46 -10.551 9.266 -5.283 1.00 73.31 N ATOM 732 CA PRO A 46 -10.848 10.284 -6.295 1.00 0.54 C ATOM 733 C PRO A 46 -12.043 9.908 -7.164 1.00 21.23 C ATOM 734 O PRO A 46 -12.520 10.714 -7.961 1.00 11.40 O ATOM 735 CB PRO A 46 -9.570 10.333 -7.135 1.00 65.41 C ATOM 736 CG PRO A 46 -8.952 8.988 -6.962 1.00 43.13 C ATOM 737 CD PRO A 46 -9.295 8.551 -5.565 1.00 51.01 C ATOM 0 HA PRO A 46 -11.115 11.240 -5.844 1.00 0.54 H new ATOM 0 HB2 PRO A 46 -9.792 10.535 -8.183 1.00 65.41 H new ATOM 0 HB3 PRO A 46 -8.901 11.123 -6.793 1.00 65.41 H new ATOM 0 HG2 PRO A 46 -9.339 8.283 -7.698 1.00 43.13 H new ATOM 0 HG3 PRO A 46 -7.872 9.034 -7.102 1.00 43.13 H new ATOM 0 HD2 PRO A 46 -9.425 7.471 -5.502 1.00 51.01 H new ATOM 0 HD3 PRO A 46 -8.512 8.820 -4.856 1.00 51.01 H new ATOM 745 N GLU A 47 -12.521 8.678 -7.003 1.00 73.13 N ATOM 746 CA GLU A 47 -13.661 8.196 -7.775 1.00 20.43 C ATOM 747 C GLU A 47 -14.906 9.029 -7.485 1.00 41.31 C ATOM 748 O GLU A 47 -15.548 9.543 -8.401 1.00 54.13 O ATOM 749 CB GLU A 47 -13.934 6.724 -7.457 1.00 70.01 C ATOM 750 CG GLU A 47 -15.114 6.146 -8.219 1.00 74.34 C ATOM 751 CD GLU A 47 -14.938 6.235 -9.723 1.00 14.42 C ATOM 752 OE1 GLU A 47 -13.796 6.464 -10.173 1.00 71.11 O ATOM 753 OE2 GLU A 47 -15.942 6.077 -10.449 1.00 0.53 O ATOM 0 H GLU A 47 -12.138 7.998 -6.346 1.00 73.13 H new ATOM 0 HA GLU A 47 -13.418 8.293 -8.833 1.00 20.43 H new ATOM 0 HB2 GLU A 47 -13.043 6.140 -7.687 1.00 70.01 H new ATOM 0 HB3 GLU A 47 -14.117 6.620 -6.387 1.00 70.01 H new ATOM 0 HG2 GLU A 47 -15.250 5.103 -7.934 1.00 74.34 H new ATOM 0 HG3 GLU A 47 -16.022 6.676 -7.931 1.00 74.34 H new ATOM 760 N ILE A 48 -15.240 9.158 -6.206 1.00 20.05 N ATOM 761 CA ILE A 48 -16.407 9.929 -5.795 1.00 61.00 C ATOM 762 C ILE A 48 -16.004 11.315 -5.302 1.00 35.55 C ATOM 763 O ILE A 48 -16.831 12.063 -4.781 1.00 3.30 O ATOM 764 CB ILE A 48 -17.195 9.210 -4.684 1.00 63.53 C ATOM 765 CG1 ILE A 48 -16.614 9.554 -3.312 1.00 3.45 C ATOM 766 CG2 ILE A 48 -17.176 7.705 -4.911 1.00 3.22 C ATOM 767 CD1 ILE A 48 -15.132 9.271 -3.194 1.00 14.51 C ATOM 0 H ILE A 48 -14.719 8.739 -5.436 1.00 20.05 H new ATOM 0 HA ILE A 48 -17.044 10.029 -6.674 1.00 61.00 H new ATOM 0 HB ILE A 48 -18.230 9.550 -4.715 1.00 63.53 H new ATOM 0 HG12 ILE A 48 -16.791 10.609 -3.106 1.00 3.45 H new ATOM 0 HG13 ILE A 48 -17.146 8.986 -2.549 1.00 3.45 H new ATOM 0 HG21 ILE A 48 -17.737 7.210 -4.118 1.00 3.22 H new ATOM 0 HG22 ILE A 48 -17.632 7.477 -5.874 1.00 3.22 H new ATOM 0 HG23 ILE A 48 -16.146 7.349 -4.903 1.00 3.22 H new ATOM 0 HD11 ILE A 48 -14.789 9.539 -2.195 1.00 14.51 H new ATOM 0 HD12 ILE A 48 -14.949 8.211 -3.368 1.00 14.51 H new ATOM 0 HD13 ILE A 48 -14.589 9.859 -3.934 1.00 14.51 H new ATOM 779 N ALA A 49 -14.730 11.650 -5.471 1.00 24.45 N ATOM 780 CA ALA A 49 -14.218 12.947 -5.046 1.00 21.20 C ATOM 781 C ALA A 49 -15.011 14.084 -5.681 1.00 1.23 C ATOM 782 O ALA A 49 -15.072 15.189 -5.141 1.00 42.33 O ATOM 783 CB ALA A 49 -12.742 13.072 -5.394 1.00 20.51 C ATOM 0 H ALA A 49 -14.033 11.041 -5.899 1.00 24.45 H new ATOM 0 HA ALA A 49 -14.332 13.018 -3.964 1.00 21.20 H new ATOM 0 HB1 ALA A 49 -12.373 14.045 -5.071 1.00 20.51 H new ATOM 0 HB2 ALA A 49 -12.181 12.286 -4.889 1.00 20.51 H new ATOM 0 HB3 ALA A 49 -12.613 12.975 -6.472 1.00 20.51 H new ATOM 789 N LYS A 50 -15.617 13.807 -6.830 1.00 52.10 N ATOM 790 CA LYS A 50 -16.408 14.806 -7.539 1.00 45.31 C ATOM 791 C LYS A 50 -17.900 14.533 -7.380 1.00 63.23 C ATOM 792 O LYS A 50 -18.692 14.817 -8.279 1.00 64.43 O ATOM 793 CB LYS A 50 -16.036 14.821 -9.024 1.00 31.33 C ATOM 794 CG LYS A 50 -14.758 15.585 -9.324 1.00 13.25 C ATOM 795 CD LYS A 50 -15.006 17.083 -9.383 1.00 4.21 C ATOM 796 CE LYS A 50 -15.686 17.485 -10.683 1.00 31.34 C ATOM 797 NZ LYS A 50 -14.732 17.505 -11.825 1.00 64.24 N ATOM 0 H LYS A 50 -15.576 12.898 -7.291 1.00 52.10 H new ATOM 0 HA LYS A 50 -16.188 15.782 -7.106 1.00 45.31 H new ATOM 0 HB2 LYS A 50 -15.926 13.794 -9.373 1.00 31.33 H new ATOM 0 HB3 LYS A 50 -16.855 15.264 -9.591 1.00 31.33 H new ATOM 0 HG2 LYS A 50 -14.015 15.368 -8.557 1.00 13.25 H new ATOM 0 HG3 LYS A 50 -14.344 15.246 -10.274 1.00 13.25 H new ATOM 0 HD2 LYS A 50 -15.626 17.384 -8.539 1.00 4.21 H new ATOM 0 HD3 LYS A 50 -14.059 17.614 -9.287 1.00 4.21 H new ATOM 0 HE2 LYS A 50 -16.496 16.789 -10.899 1.00 31.34 H new ATOM 0 HE3 LYS A 50 -16.135 18.471 -10.568 1.00 31.34 H new ATOM 0 HZ1 LYS A 50 -15.209 17.881 -12.669 1.00 64.24 H new ATOM 0 HZ2 LYS A 50 -13.920 18.110 -11.588 1.00 64.24 H new ATOM 0 HZ3 LYS A 50 -14.399 16.538 -12.016 1.00 64.24 H new ATOM 811 N ASP A 51 -18.276 13.982 -6.232 1.00 35.22 N ATOM 812 CA ASP A 51 -19.674 13.673 -5.954 1.00 73.43 C ATOM 813 C ASP A 51 -20.459 14.942 -5.637 1.00 20.33 C ATOM 814 O ASP A 51 -20.865 15.164 -4.496 1.00 74.21 O ATOM 815 CB ASP A 51 -19.779 12.688 -4.789 1.00 14.04 C ATOM 816 CG ASP A 51 -19.072 13.187 -3.544 1.00 20.11 C ATOM 817 OD1 ASP A 51 -18.604 14.345 -3.551 1.00 21.11 O ATOM 818 OD2 ASP A 51 -18.987 12.420 -2.563 1.00 31.44 O ATOM 0 H ASP A 51 -17.633 13.740 -5.478 1.00 35.22 H new ATOM 0 HA ASP A 51 -20.103 13.216 -6.845 1.00 73.43 H new ATOM 0 HB2 ASP A 51 -20.830 12.511 -4.560 1.00 14.04 H new ATOM 0 HB3 ASP A 51 -19.352 11.730 -5.087 1.00 14.04 H new ATOM 823 N VAL A 52 -20.668 15.772 -6.653 1.00 45.53 N ATOM 824 CA VAL A 52 -21.403 17.020 -6.483 1.00 33.42 C ATOM 825 C VAL A 52 -22.811 16.760 -5.959 1.00 31.15 C ATOM 826 O VAL A 52 -23.442 17.644 -5.381 1.00 13.42 O ATOM 827 CB VAL A 52 -21.496 17.802 -7.806 1.00 74.24 C ATOM 828 CG1 VAL A 52 -22.300 17.019 -8.834 1.00 2.11 C ATOM 829 CG2 VAL A 52 -22.109 19.174 -7.572 1.00 2.43 C ATOM 0 H VAL A 52 -20.339 15.603 -7.603 1.00 45.53 H new ATOM 0 HA VAL A 52 -20.851 17.616 -5.756 1.00 33.42 H new ATOM 0 HB VAL A 52 -20.488 17.941 -8.197 1.00 74.24 H new ATOM 0 HG11 VAL A 52 -22.355 17.587 -9.762 1.00 2.11 H new ATOM 0 HG12 VAL A 52 -21.815 16.061 -9.023 1.00 2.11 H new ATOM 0 HG13 VAL A 52 -23.307 16.847 -8.454 1.00 2.11 H new ATOM 0 HG21 VAL A 52 -22.167 19.713 -8.518 1.00 2.43 H new ATOM 0 HG22 VAL A 52 -23.111 19.059 -7.158 1.00 2.43 H new ATOM 0 HG23 VAL A 52 -21.489 19.735 -6.872 1.00 2.43 H new ATOM 839 N ALA A 53 -23.297 15.540 -6.164 1.00 13.22 N ATOM 840 CA ALA A 53 -24.630 15.163 -5.710 1.00 21.45 C ATOM 841 C ALA A 53 -24.607 14.716 -4.252 1.00 1.34 C ATOM 842 O ALA A 53 -25.597 14.857 -3.534 1.00 62.41 O ATOM 843 CB ALA A 53 -25.196 14.060 -6.592 1.00 43.02 C ATOM 0 H ALA A 53 -22.788 14.796 -6.641 1.00 13.22 H new ATOM 0 HA ALA A 53 -25.273 16.040 -5.785 1.00 21.45 H new ATOM 0 HB1 ALA A 53 -26.192 13.789 -6.241 1.00 43.02 H new ATOM 0 HB2 ALA A 53 -25.258 14.413 -7.621 1.00 43.02 H new ATOM 0 HB3 ALA A 53 -24.545 13.187 -6.546 1.00 43.02 H new ATOM 849 N ALA A 54 -23.471 14.178 -3.820 1.00 72.53 N ATOM 850 CA ALA A 54 -23.319 13.712 -2.447 1.00 75.25 C ATOM 851 C ALA A 54 -23.692 14.806 -1.452 1.00 72.44 C ATOM 852 O ALA A 54 -24.172 14.521 -0.354 1.00 43.44 O ATOM 853 CB ALA A 54 -21.894 13.239 -2.205 1.00 61.31 C ATOM 0 H ALA A 54 -22.642 14.054 -4.401 1.00 72.53 H new ATOM 0 HA ALA A 54 -23.999 12.873 -2.296 1.00 75.25 H new ATOM 0 HB1 ALA A 54 -21.795 12.894 -1.176 1.00 61.31 H new ATOM 0 HB2 ALA A 54 -21.662 12.420 -2.886 1.00 61.31 H new ATOM 0 HB3 ALA A 54 -21.202 14.063 -2.379 1.00 61.31 H new ATOM 859 N ILE A 55 -23.468 16.056 -1.843 1.00 73.31 N ATOM 860 CA ILE A 55 -23.781 17.191 -0.985 1.00 14.43 C ATOM 861 C ILE A 55 -25.280 17.282 -0.718 1.00 30.03 C ATOM 862 O ILE A 55 -25.705 17.630 0.383 1.00 52.20 O ATOM 863 CB ILE A 55 -23.301 18.516 -1.606 1.00 51.14 C ATOM 864 CG1 ILE A 55 -21.786 18.486 -1.817 1.00 60.03 C ATOM 865 CG2 ILE A 55 -23.695 19.690 -0.722 1.00 31.30 C ATOM 866 CD1 ILE A 55 -21.380 18.158 -3.237 1.00 21.41 C ATOM 0 H ILE A 55 -23.071 16.308 -2.748 1.00 73.31 H new ATOM 0 HA ILE A 55 -23.256 17.029 -0.044 1.00 14.43 H new ATOM 0 HB ILE A 55 -23.782 18.640 -2.576 1.00 51.14 H new ATOM 0 HG12 ILE A 55 -21.370 19.456 -1.544 1.00 60.03 H new ATOM 0 HG13 ILE A 55 -21.348 17.750 -1.143 1.00 60.03 H new ATOM 0 HG21 ILE A 55 -23.348 20.619 -1.175 1.00 31.30 H new ATOM 0 HG22 ILE A 55 -24.780 19.719 -0.618 1.00 31.30 H new ATOM 0 HG23 ILE A 55 -23.240 19.574 0.261 1.00 31.30 H new ATOM 0 HD11 ILE A 55 -20.293 18.154 -3.313 1.00 21.41 H new ATOM 0 HD12 ILE A 55 -21.766 17.175 -3.508 1.00 21.41 H new ATOM 0 HD13 ILE A 55 -21.788 18.908 -3.915 1.00 21.41 H new ATOM 878 N GLY A 56 -26.077 16.964 -1.733 1.00 51.04 N ATOM 879 CA GLY A 56 -27.520 17.014 -1.588 1.00 11.21 C ATOM 880 C GLY A 56 -28.085 15.750 -0.971 1.00 2.13 C ATOM 881 O GLY A 56 -29.131 15.780 -0.322 1.00 50.13 O ATOM 0 H GLY A 56 -25.749 16.672 -2.654 1.00 51.04 H new ATOM 0 HA2 GLY A 56 -27.790 17.869 -0.969 1.00 11.21 H new ATOM 0 HA3 GLY A 56 -27.975 17.172 -2.566 1.00 11.21 H new ATOM 885 N LYS A 57 -27.392 14.634 -1.173 1.00 53.32 N ATOM 886 CA LYS A 57 -27.830 13.353 -0.633 1.00 30.23 C ATOM 887 C LYS A 57 -27.384 13.193 0.817 1.00 14.24 C ATOM 888 O LYS A 57 -27.955 12.402 1.568 1.00 3.30 O ATOM 889 CB LYS A 57 -27.275 12.204 -1.477 1.00 74.53 C ATOM 890 CG LYS A 57 -28.100 11.907 -2.718 1.00 35.04 C ATOM 891 CD LYS A 57 -27.820 10.513 -3.254 1.00 2.30 C ATOM 892 CE LYS A 57 -26.477 10.450 -3.966 1.00 31.01 C ATOM 893 NZ LYS A 57 -26.547 11.034 -5.334 1.00 5.42 N ATOM 0 H LYS A 57 -26.524 14.591 -1.707 1.00 53.32 H new ATOM 0 HA LYS A 57 -28.919 13.327 -0.665 1.00 30.23 H new ATOM 0 HB2 LYS A 57 -26.255 12.445 -1.778 1.00 74.53 H new ATOM 0 HB3 LYS A 57 -27.222 11.305 -0.862 1.00 74.53 H new ATOM 0 HG2 LYS A 57 -29.160 12.001 -2.482 1.00 35.04 H new ATOM 0 HG3 LYS A 57 -27.878 12.645 -3.489 1.00 35.04 H new ATOM 0 HD2 LYS A 57 -27.832 9.797 -2.432 1.00 2.30 H new ATOM 0 HD3 LYS A 57 -28.613 10.221 -3.943 1.00 2.30 H new ATOM 0 HE2 LYS A 57 -25.730 10.986 -3.380 1.00 31.01 H new ATOM 0 HE3 LYS A 57 -26.148 9.413 -4.030 1.00 31.01 H new ATOM 0 HZ1 LYS A 57 -25.650 11.513 -5.553 1.00 5.42 H new ATOM 0 HZ2 LYS A 57 -26.714 10.276 -6.027 1.00 5.42 H new ATOM 0 HZ3 LYS A 57 -27.326 11.721 -5.379 1.00 5.42 H new ATOM 907 N MET A 58 -26.363 13.950 1.205 1.00 50.35 N ATOM 908 CA MET A 58 -25.843 13.894 2.566 1.00 74.00 C ATOM 909 C MET A 58 -26.969 14.046 3.584 1.00 0.42 C ATOM 910 O MET A 58 -26.884 13.529 4.698 1.00 14.24 O ATOM 911 CB MET A 58 -24.795 14.987 2.780 1.00 3.11 C ATOM 912 CG MET A 58 -25.392 16.349 3.093 1.00 11.35 C ATOM 913 SD MET A 58 -24.164 17.669 3.066 1.00 51.34 S ATOM 914 CE MET A 58 -25.212 19.111 3.245 1.00 31.42 C ATOM 0 H MET A 58 -25.879 14.610 0.596 1.00 50.35 H new ATOM 0 HA MET A 58 -25.375 12.920 2.710 1.00 74.00 H new ATOM 0 HB2 MET A 58 -24.136 14.692 3.597 1.00 3.11 H new ATOM 0 HB3 MET A 58 -24.178 15.067 1.885 1.00 3.11 H new ATOM 0 HG2 MET A 58 -26.176 16.573 2.369 1.00 11.35 H new ATOM 0 HG3 MET A 58 -25.864 16.317 4.075 1.00 11.35 H new ATOM 0 HE1 MET A 58 -24.610 20.014 3.139 1.00 31.42 H new ATOM 0 HE2 MET A 58 -25.984 19.097 2.476 1.00 31.42 H new ATOM 0 HE3 MET A 58 -25.680 19.101 4.229 1.00 31.42 H new ATOM 924 N ILE A 59 -28.021 14.759 3.195 1.00 63.24 N ATOM 925 CA ILE A 59 -29.162 14.978 4.074 1.00 75.22 C ATOM 926 C ILE A 59 -29.655 13.665 4.673 1.00 23.20 C ATOM 927 O ILE A 59 -29.985 13.595 5.856 1.00 4.42 O ATOM 928 CB ILE A 59 -30.326 15.656 3.327 1.00 10.41 C ATOM 929 CG1 ILE A 59 -29.873 16.996 2.743 1.00 54.05 C ATOM 930 CG2 ILE A 59 -31.511 15.853 4.260 1.00 34.13 C ATOM 931 CD1 ILE A 59 -29.345 17.961 3.781 1.00 63.41 C ATOM 0 H ILE A 59 -28.106 15.195 2.277 1.00 63.24 H new ATOM 0 HA ILE A 59 -28.822 15.635 4.874 1.00 75.22 H new ATOM 0 HB ILE A 59 -30.638 15.009 2.507 1.00 10.41 H new ATOM 0 HG12 ILE A 59 -29.097 16.815 1.999 1.00 54.05 H new ATOM 0 HG13 ILE A 59 -30.712 17.458 2.223 1.00 54.05 H new ATOM 0 HG21 ILE A 59 -32.325 16.333 3.717 1.00 34.13 H new ATOM 0 HG22 ILE A 59 -31.845 14.885 4.633 1.00 34.13 H new ATOM 0 HG23 ILE A 59 -31.213 16.482 5.099 1.00 34.13 H new ATOM 0 HD11 ILE A 59 -29.043 18.889 3.295 1.00 63.41 H new ATOM 0 HD12 ILE A 59 -30.126 18.172 4.512 1.00 63.41 H new ATOM 0 HD13 ILE A 59 -28.486 17.519 4.285 1.00 63.41 H new ATOM 943 N GLY A 60 -29.700 12.624 3.847 1.00 22.42 N ATOM 944 CA GLY A 60 -30.151 11.326 4.314 1.00 71.31 C ATOM 945 C GLY A 60 -29.055 10.548 5.014 1.00 25.11 C ATOM 946 O GLY A 60 -29.331 9.635 5.791 1.00 33.31 O ATOM 0 H GLY A 60 -29.432 12.656 2.863 1.00 22.42 H new ATOM 0 HA2 GLY A 60 -30.990 11.461 4.997 1.00 71.31 H new ATOM 0 HA3 GLY A 60 -30.519 10.747 3.467 1.00 71.31 H new ATOM 950 N ALA A 61 -27.806 10.909 4.737 1.00 2.15 N ATOM 951 CA ALA A 61 -26.664 10.239 5.347 1.00 61.22 C ATOM 952 C ALA A 61 -26.420 10.748 6.763 1.00 0.33 C ATOM 953 O ALA A 61 -25.726 10.108 7.552 1.00 32.35 O ATOM 954 CB ALA A 61 -25.420 10.433 4.492 1.00 11.44 C ATOM 0 H ALA A 61 -27.560 11.662 4.094 1.00 2.15 H new ATOM 0 HA ALA A 61 -26.888 9.174 5.406 1.00 61.22 H new ATOM 0 HB1 ALA A 61 -24.575 9.928 4.959 1.00 11.44 H new ATOM 0 HB2 ALA A 61 -25.591 10.013 3.501 1.00 11.44 H new ATOM 0 HB3 ALA A 61 -25.202 11.497 4.403 1.00 11.44 H new ATOM 960 N ALA A 62 -26.994 11.905 7.078 1.00 33.44 N ATOM 961 CA ALA A 62 -26.840 12.499 8.400 1.00 0.03 C ATOM 962 C ALA A 62 -27.158 11.488 9.497 1.00 0.51 C ATOM 963 O ALA A 62 -26.379 11.309 10.433 1.00 10.03 O ATOM 964 CB ALA A 62 -27.731 13.725 8.535 1.00 30.10 C ATOM 0 H ALA A 62 -27.570 12.449 6.435 1.00 33.44 H new ATOM 0 HA ALA A 62 -25.800 12.805 8.515 1.00 0.03 H new ATOM 0 HB1 ALA A 62 -27.606 14.158 9.527 1.00 30.10 H new ATOM 0 HB2 ALA A 62 -27.454 14.461 7.780 1.00 30.10 H new ATOM 0 HB3 ALA A 62 -28.772 13.435 8.395 1.00 30.10 H new ATOM 970 N TRP A 63 -28.306 10.832 9.375 1.00 0.13 N ATOM 971 CA TRP A 63 -28.727 9.840 10.358 1.00 62.32 C ATOM 972 C TRP A 63 -28.076 8.489 10.080 1.00 2.15 C ATOM 973 O TRP A 63 -28.016 7.627 10.956 1.00 15.22 O ATOM 974 CB TRP A 63 -30.250 9.697 10.349 1.00 3.10 C ATOM 975 CG TRP A 63 -30.804 9.326 9.007 1.00 41.43 C ATOM 976 CD1 TRP A 63 -30.583 8.166 8.321 1.00 43.54 C ATOM 977 CD2 TRP A 63 -31.670 10.120 8.188 1.00 5.31 C ATOM 978 NE1 TRP A 63 -31.259 8.191 7.125 1.00 43.53 N ATOM 979 CE2 TRP A 63 -31.934 9.379 7.020 1.00 62.31 C ATOM 980 CE3 TRP A 63 -32.249 11.384 8.329 1.00 42.11 C ATOM 981 CZ2 TRP A 63 -32.750 9.862 6.001 1.00 74.41 C ATOM 982 CZ3 TRP A 63 -33.059 11.862 7.316 1.00 1.15 C ATOM 983 CH2 TRP A 63 -33.304 11.102 6.165 1.00 14.11 C ATOM 0 H TRP A 63 -28.962 10.969 8.606 1.00 0.13 H new ATOM 0 HA TRP A 63 -28.407 10.182 11.342 1.00 62.32 H new ATOM 0 HB2 TRP A 63 -30.541 8.939 11.076 1.00 3.10 H new ATOM 0 HB3 TRP A 63 -30.698 10.637 10.672 1.00 3.10 H new ATOM 0 HD1 TRP A 63 -29.967 7.349 8.668 1.00 43.54 H new ATOM 0 HE1 TRP A 63 -31.258 7.446 6.428 1.00 43.53 H new ATOM 0 HE3 TRP A 63 -32.067 11.977 9.213 1.00 42.11 H new ATOM 0 HZ2 TRP A 63 -32.939 9.278 5.112 1.00 74.41 H new ATOM 0 HZ3 TRP A 63 -33.511 12.838 7.414 1.00 1.15 H new ATOM 0 HH2 TRP A 63 -33.943 11.503 5.392 1.00 14.11 H new ATOM 994 N ASN A 64 -27.589 8.312 8.857 1.00 64.03 N ATOM 995 CA ASN A 64 -26.942 7.065 8.465 1.00 61.14 C ATOM 996 C ASN A 64 -25.430 7.157 8.644 1.00 24.42 C ATOM 997 O ASN A 64 -24.684 6.308 8.156 1.00 42.55 O ATOM 998 CB ASN A 64 -27.274 6.729 7.009 1.00 15.34 C ATOM 999 CG ASN A 64 -28.317 5.634 6.892 1.00 11.34 C ATOM 1000 OD1 ASN A 64 -28.286 4.651 7.632 1.00 33.14 O ATOM 1001 ND2 ASN A 64 -29.247 5.800 5.959 1.00 10.31 N ATOM 0 H ASN A 64 -27.630 9.016 8.120 1.00 64.03 H new ATOM 0 HA ASN A 64 -27.319 6.271 9.110 1.00 61.14 H new ATOM 0 HB2 ASN A 64 -27.634 7.626 6.505 1.00 15.34 H new ATOM 0 HB3 ASN A 64 -26.365 6.418 6.494 1.00 15.34 H new ATOM 0 HD21 ASN A 64 -29.975 5.096 5.833 1.00 10.31 H new ATOM 0 HD22 ASN A 64 -29.234 6.631 5.368 1.00 10.31 H new ATOM 1008 N ALA A 65 -24.985 8.192 9.349 1.00 24.42 N ATOM 1009 CA ALA A 65 -23.562 8.393 9.596 1.00 72.11 C ATOM 1010 C ALA A 65 -23.033 7.385 10.610 1.00 22.41 C ATOM 1011 O ALA A 65 -21.902 6.909 10.496 1.00 74.21 O ATOM 1012 CB ALA A 65 -23.306 9.813 10.078 1.00 41.24 C ATOM 0 H ALA A 65 -25.589 8.904 9.759 1.00 24.42 H new ATOM 0 HA ALA A 65 -23.030 8.238 8.657 1.00 72.11 H new ATOM 0 HB1 ALA A 65 -22.240 9.949 10.259 1.00 41.24 H new ATOM 0 HB2 ALA A 65 -23.639 10.521 9.319 1.00 41.24 H new ATOM 0 HB3 ALA A 65 -23.856 9.988 11.003 1.00 41.24 H new ATOM 1018 N LEU A 66 -23.856 7.063 11.602 1.00 5.12 N ATOM 1019 CA LEU A 66 -23.470 6.111 12.638 1.00 43.00 C ATOM 1020 C LEU A 66 -23.950 4.705 12.292 1.00 51.32 C ATOM 1021 O LEU A 66 -24.609 4.497 11.273 1.00 1.00 O ATOM 1022 CB LEU A 66 -24.042 6.539 13.991 1.00 42.15 C ATOM 1023 CG LEU A 66 -23.213 7.553 14.779 1.00 3.24 C ATOM 1024 CD1 LEU A 66 -21.877 6.950 15.185 1.00 1.23 C ATOM 1025 CD2 LEU A 66 -23.002 8.820 13.963 1.00 10.10 C ATOM 0 H LEU A 66 -24.795 7.447 11.711 1.00 5.12 H new ATOM 0 HA LEU A 66 -22.382 6.099 12.698 1.00 43.00 H new ATOM 0 HB2 LEU A 66 -25.034 6.960 13.827 1.00 42.15 H new ATOM 0 HB3 LEU A 66 -24.171 5.649 14.606 1.00 42.15 H new ATOM 0 HG LEU A 66 -23.761 7.815 15.684 1.00 3.24 H new ATOM 0 HD11 LEU A 66 -21.301 7.686 15.745 1.00 1.23 H new ATOM 0 HD12 LEU A 66 -22.048 6.073 15.809 1.00 1.23 H new ATOM 0 HD13 LEU A 66 -21.323 6.658 14.293 1.00 1.23 H new ATOM 0 HD21 LEU A 66 -22.410 9.530 14.540 1.00 10.10 H new ATOM 0 HD22 LEU A 66 -22.476 8.575 13.040 1.00 10.10 H new ATOM 0 HD23 LEU A 66 -23.968 9.264 13.723 1.00 10.10 H new ATOM 1037 N SER A 67 -23.617 3.744 13.148 1.00 53.25 N ATOM 1038 CA SER A 67 -24.013 2.358 12.931 1.00 34.45 C ATOM 1039 C SER A 67 -25.533 2.220 12.932 1.00 42.22 C ATOM 1040 O SER A 67 -26.231 2.932 13.653 1.00 14.43 O ATOM 1041 CB SER A 67 -23.408 1.458 14.011 1.00 14.11 C ATOM 1042 OG SER A 67 -23.703 0.094 13.763 1.00 40.43 O ATOM 0 H SER A 67 -23.074 3.900 13.997 1.00 53.25 H new ATOM 0 HA SER A 67 -23.638 2.047 11.956 1.00 34.45 H new ATOM 0 HB2 SER A 67 -22.328 1.600 14.043 1.00 14.11 H new ATOM 0 HB3 SER A 67 -23.797 1.745 14.988 1.00 14.11 H new ATOM 0 HG SER A 67 -23.177 -0.470 14.368 1.00 40.43 H new ATOM 1048 N ASP A 68 -26.037 1.300 12.118 1.00 73.33 N ATOM 1049 CA ASP A 68 -27.474 1.067 12.024 1.00 62.24 C ATOM 1050 C ASP A 68 -27.999 0.392 13.287 1.00 1.10 C ATOM 1051 O ASP A 68 -28.956 0.863 13.901 1.00 63.20 O ATOM 1052 CB ASP A 68 -27.793 0.206 10.800 1.00 14.04 C ATOM 1053 CG ASP A 68 -27.256 0.804 9.515 1.00 1.12 C ATOM 1054 OD1 ASP A 68 -26.055 0.615 9.230 1.00 30.01 O ATOM 1055 OD2 ASP A 68 -28.036 1.462 8.795 1.00 62.02 O ATOM 0 H ASP A 68 -25.472 0.703 11.514 1.00 73.33 H new ATOM 0 HA ASP A 68 -27.968 2.033 11.918 1.00 62.24 H new ATOM 0 HB2 ASP A 68 -27.370 -0.789 10.939 1.00 14.04 H new ATOM 0 HB3 ASP A 68 -28.873 0.084 10.717 1.00 14.04 H new ATOM 1060 N GLU A 69 -27.366 -0.713 13.668 1.00 35.40 N ATOM 1061 CA GLU A 69 -27.772 -1.453 14.857 1.00 30.33 C ATOM 1062 C GLU A 69 -27.722 -0.563 16.095 1.00 14.34 C ATOM 1063 O GLU A 69 -28.457 -0.781 17.058 1.00 3.45 O ATOM 1064 CB GLU A 69 -26.871 -2.674 15.057 1.00 35.14 C ATOM 1065 CG GLU A 69 -25.473 -2.326 15.540 1.00 72.43 C ATOM 1066 CD GLU A 69 -24.559 -3.535 15.598 1.00 41.31 C ATOM 1067 OE1 GLU A 69 -25.076 -4.671 15.565 1.00 21.25 O ATOM 1068 OE2 GLU A 69 -23.327 -3.344 15.676 1.00 33.42 O ATOM 0 H GLU A 69 -26.571 -1.115 13.171 1.00 35.40 H new ATOM 0 HA GLU A 69 -28.799 -1.788 14.712 1.00 30.33 H new ATOM 0 HB2 GLU A 69 -27.338 -3.346 15.777 1.00 35.14 H new ATOM 0 HB3 GLU A 69 -26.796 -3.218 14.115 1.00 35.14 H new ATOM 0 HG2 GLU A 69 -25.039 -1.578 14.876 1.00 72.43 H new ATOM 0 HG3 GLU A 69 -25.536 -1.875 16.530 1.00 72.43 H new ATOM 1075 N GLU A 70 -26.851 0.440 16.061 1.00 2.51 N ATOM 1076 CA GLU A 70 -26.704 1.363 17.181 1.00 54.02 C ATOM 1077 C GLU A 70 -27.557 2.612 16.972 1.00 24.41 C ATOM 1078 O GLU A 70 -27.611 3.491 17.832 1.00 42.44 O ATOM 1079 CB GLU A 70 -25.237 1.758 17.357 1.00 64.42 C ATOM 1080 CG GLU A 70 -24.839 1.994 18.804 1.00 12.02 C ATOM 1081 CD GLU A 70 -24.776 0.710 19.609 1.00 44.32 C ATOM 1082 OE1 GLU A 70 -24.139 -0.255 19.136 1.00 52.33 O ATOM 1083 OE2 GLU A 70 -25.362 0.670 20.711 1.00 42.24 O ATOM 0 H GLU A 70 -26.236 0.635 15.271 1.00 2.51 H new ATOM 0 HA GLU A 70 -27.047 0.856 18.083 1.00 54.02 H new ATOM 0 HB2 GLU A 70 -24.606 0.974 16.939 1.00 64.42 H new ATOM 0 HB3 GLU A 70 -25.042 2.664 16.783 1.00 64.42 H new ATOM 0 HG2 GLU A 70 -23.866 2.485 18.834 1.00 12.02 H new ATOM 0 HG3 GLU A 70 -25.554 2.674 19.267 1.00 12.02 H new ATOM 1090 N LYS A 71 -28.221 2.682 15.824 1.00 61.05 N ATOM 1091 CA LYS A 71 -29.072 3.821 15.500 1.00 64.04 C ATOM 1092 C LYS A 71 -30.494 3.599 16.005 1.00 63.04 C ATOM 1093 O LYS A 71 -31.300 4.528 16.048 1.00 55.01 O ATOM 1094 CB LYS A 71 -29.087 4.059 13.988 1.00 71.41 C ATOM 1095 CG LYS A 71 -29.995 5.199 13.561 1.00 73.33 C ATOM 1096 CD LYS A 71 -29.740 5.605 12.119 1.00 72.52 C ATOM 1097 CE LYS A 71 -30.360 4.616 11.144 1.00 70.55 C ATOM 1098 NZ LYS A 71 -30.729 5.264 9.855 1.00 44.42 N ATOM 0 H LYS A 71 -28.186 1.963 15.101 1.00 61.05 H new ATOM 0 HA LYS A 71 -28.663 4.701 15.996 1.00 64.04 H new ATOM 0 HB2 LYS A 71 -28.072 4.269 13.652 1.00 71.41 H new ATOM 0 HB3 LYS A 71 -29.406 3.145 13.488 1.00 71.41 H new ATOM 0 HG2 LYS A 71 -31.036 4.899 13.677 1.00 73.33 H new ATOM 0 HG3 LYS A 71 -29.836 6.056 14.215 1.00 73.33 H new ATOM 0 HD2 LYS A 71 -30.151 6.599 11.942 1.00 72.52 H new ATOM 0 HD3 LYS A 71 -28.666 5.668 11.942 1.00 72.52 H new ATOM 0 HE2 LYS A 71 -29.658 3.804 10.954 1.00 70.55 H new ATOM 0 HE3 LYS A 71 -31.248 4.171 11.594 1.00 70.55 H new ATOM 0 HZ1 LYS A 71 -31.642 4.889 9.527 1.00 44.42 H new ATOM 0 HZ2 LYS A 71 -30.806 6.292 9.993 1.00 44.42 H new ATOM 0 HZ3 LYS A 71 -29.997 5.064 9.144 1.00 44.42 H new ATOM 1112 N LYS A 72 -30.795 2.363 16.387 1.00 25.42 N ATOM 1113 CA LYS A 72 -32.118 2.018 16.892 1.00 12.22 C ATOM 1114 C LYS A 72 -32.401 2.734 18.209 1.00 31.44 C ATOM 1115 O LYS A 72 -33.430 3.389 18.379 1.00 23.55 O ATOM 1116 CB LYS A 72 -32.235 0.505 17.086 1.00 22.33 C ATOM 1117 CG LYS A 72 -31.551 -0.303 15.996 1.00 14.33 C ATOM 1118 CD LYS A 72 -31.997 0.139 14.613 1.00 55.05 C ATOM 1119 CE LYS A 72 -33.500 -0.018 14.435 1.00 62.04 C ATOM 1120 NZ LYS A 72 -33.938 -1.427 14.635 1.00 22.13 N ATOM 0 H LYS A 72 -30.139 1.582 16.356 1.00 25.42 H new ATOM 0 HA LYS A 72 -32.855 2.341 16.157 1.00 12.22 H new ATOM 0 HB2 LYS A 72 -31.804 0.236 18.050 1.00 22.33 H new ATOM 0 HB3 LYS A 72 -33.290 0.232 17.121 1.00 22.33 H new ATOM 0 HG2 LYS A 72 -30.470 -0.192 16.084 1.00 14.33 H new ATOM 0 HG3 LYS A 72 -31.775 -1.361 16.131 1.00 14.33 H new ATOM 0 HD2 LYS A 72 -31.718 1.181 14.455 1.00 55.05 H new ATOM 0 HD3 LYS A 72 -31.477 -0.449 13.857 1.00 55.05 H new ATOM 0 HE2 LYS A 72 -34.019 0.628 15.143 1.00 62.04 H new ATOM 0 HE3 LYS A 72 -33.784 0.312 13.436 1.00 62.04 H new ATOM 0 HZ1 LYS A 72 -34.926 -1.531 14.326 1.00 22.13 H new ATOM 0 HZ2 LYS A 72 -33.332 -2.061 14.077 1.00 22.13 H new ATOM 0 HZ3 LYS A 72 -33.863 -1.674 15.642 1.00 22.13 H new ATOM 1134 N PRO A 73 -31.467 2.608 19.164 1.00 15.23 N ATOM 1135 CA PRO A 73 -31.594 3.238 20.482 1.00 25.31 C ATOM 1136 C PRO A 73 -31.461 4.755 20.415 1.00 50.33 C ATOM 1137 O PRO A 73 -31.819 5.462 21.357 1.00 31.13 O ATOM 1138 CB PRO A 73 -30.432 2.634 21.276 1.00 12.30 C ATOM 1139 CG PRO A 73 -29.428 2.249 20.245 1.00 52.10 C ATOM 1140 CD PRO A 73 -30.217 1.843 19.031 1.00 64.33 C ATOM 0 HA PRO A 73 -32.573 3.058 20.927 1.00 25.31 H new ATOM 0 HB2 PRO A 73 -30.018 3.354 21.982 1.00 12.30 H new ATOM 0 HB3 PRO A 73 -30.756 1.769 21.856 1.00 12.30 H new ATOM 0 HG2 PRO A 73 -28.763 3.082 20.018 1.00 52.10 H new ATOM 0 HG3 PRO A 73 -28.803 1.428 20.596 1.00 52.10 H new ATOM 0 HD2 PRO A 73 -29.691 2.090 18.109 1.00 64.33 H new ATOM 0 HD3 PRO A 73 -30.403 0.769 19.014 1.00 64.33 H new ATOM 1148 N TYR A 74 -30.945 5.250 19.295 1.00 12.22 N ATOM 1149 CA TYR A 74 -30.764 6.684 19.106 1.00 42.50 C ATOM 1150 C TYR A 74 -29.763 7.244 20.112 1.00 2.40 C ATOM 1151 O TYR A 74 -29.685 8.455 20.318 1.00 14.00 O ATOM 1152 CB TYR A 74 -32.103 7.412 19.243 1.00 25.40 C ATOM 1153 CG TYR A 74 -32.076 8.832 18.726 1.00 4.33 C ATOM 1154 CD1 TYR A 74 -32.039 9.096 17.362 1.00 35.44 C ATOM 1155 CD2 TYR A 74 -32.085 9.911 19.602 1.00 53.24 C ATOM 1156 CE1 TYR A 74 -32.014 10.392 16.886 1.00 71.14 C ATOM 1157 CE2 TYR A 74 -32.062 11.211 19.134 1.00 63.23 C ATOM 1158 CZ TYR A 74 -32.026 11.446 17.775 1.00 2.01 C ATOM 1159 OH TYR A 74 -32.001 12.739 17.305 1.00 3.11 O ATOM 0 H TYR A 74 -30.645 4.679 18.505 1.00 12.22 H new ATOM 0 HA TYR A 74 -30.372 6.845 18.102 1.00 42.50 H new ATOM 0 HB2 TYR A 74 -32.868 6.853 18.704 1.00 25.40 H new ATOM 0 HB3 TYR A 74 -32.396 7.422 20.293 1.00 25.40 H new ATOM 0 HD1 TYR A 74 -32.030 8.273 16.662 1.00 35.44 H new ATOM 0 HD2 TYR A 74 -32.110 9.730 20.666 1.00 53.24 H new ATOM 0 HE1 TYR A 74 -31.985 10.579 15.823 1.00 71.14 H new ATOM 0 HE2 TYR A 74 -32.072 12.038 19.828 1.00 63.23 H new ATOM 0 HH TYR A 74 -32.015 13.362 18.061 1.00 3.11 H new ATOM 1169 N GLU A 75 -28.998 6.353 20.735 1.00 72.00 N ATOM 1170 CA GLU A 75 -28.002 6.758 21.720 1.00 61.42 C ATOM 1171 C GLU A 75 -26.717 7.217 21.037 1.00 51.54 C ATOM 1172 O GLU A 75 -26.223 8.315 21.295 1.00 22.00 O ATOM 1173 CB GLU A 75 -27.699 5.602 22.676 1.00 43.02 C ATOM 1174 CG GLU A 75 -27.033 6.041 23.969 1.00 35.14 C ATOM 1175 CD GLU A 75 -28.028 6.557 24.991 1.00 51.10 C ATOM 1176 OE1 GLU A 75 -29.219 6.192 24.896 1.00 24.41 O ATOM 1177 OE2 GLU A 75 -27.617 7.326 25.884 1.00 2.34 O ATOM 0 H GLU A 75 -29.049 5.347 20.575 1.00 72.00 H new ATOM 0 HA GLU A 75 -28.410 7.594 22.289 1.00 61.42 H new ATOM 0 HB2 GLU A 75 -28.629 5.085 22.913 1.00 43.02 H new ATOM 0 HB3 GLU A 75 -27.054 4.883 22.171 1.00 43.02 H new ATOM 0 HG2 GLU A 75 -26.484 5.201 24.394 1.00 35.14 H new ATOM 0 HG3 GLU A 75 -26.304 6.821 23.751 1.00 35.14 H new ATOM 1184 N ARG A 76 -26.182 6.370 20.164 1.00 23.23 N ATOM 1185 CA ARG A 76 -24.954 6.687 19.445 1.00 1.52 C ATOM 1186 C ARG A 76 -25.187 7.814 18.443 1.00 2.52 C ATOM 1187 O ARG A 76 -24.451 8.801 18.422 1.00 71.34 O ATOM 1188 CB ARG A 76 -24.427 5.448 18.721 1.00 64.52 C ATOM 1189 CG ARG A 76 -22.932 5.490 18.449 1.00 3.44 C ATOM 1190 CD ARG A 76 -22.131 5.073 19.673 1.00 71.20 C ATOM 1191 NE ARG A 76 -20.764 4.691 19.329 1.00 52.14 N ATOM 1192 CZ ARG A 76 -19.791 5.567 19.106 1.00 64.10 C ATOM 1193 NH1 ARG A 76 -20.032 6.868 19.192 1.00 71.23 N ATOM 1194 NH2 ARG A 76 -18.572 5.142 18.797 1.00 30.04 N ATOM 0 H ARG A 76 -26.580 5.459 19.937 1.00 23.23 H new ATOM 0 HA ARG A 76 -24.212 7.017 20.172 1.00 1.52 H new ATOM 0 HB2 ARG A 76 -24.654 4.565 19.318 1.00 64.52 H new ATOM 0 HB3 ARG A 76 -24.957 5.338 17.775 1.00 64.52 H new ATOM 0 HG2 ARG A 76 -22.694 4.830 17.615 1.00 3.44 H new ATOM 0 HG3 ARG A 76 -22.644 6.498 18.150 1.00 3.44 H new ATOM 0 HD2 ARG A 76 -22.108 5.895 20.389 1.00 71.20 H new ATOM 0 HD3 ARG A 76 -22.628 4.237 20.164 1.00 71.20 H new ATOM 0 HE ARG A 76 -20.545 3.698 19.256 1.00 52.14 H new ATOM 0 HH11 ARG A 76 -20.967 7.199 19.430 1.00 71.23 H new ATOM 0 HH12 ARG A 76 -19.282 7.538 19.020 1.00 71.23 H new ATOM 0 HH21 ARG A 76 -18.382 4.142 18.731 1.00 30.04 H new ATOM 0 HH22 ARG A 76 -17.825 5.815 18.626 1.00 30.04 H new ATOM 1208 N MET A 77 -26.215 7.660 17.615 1.00 23.01 N ATOM 1209 CA MET A 77 -26.545 8.665 16.611 1.00 4.13 C ATOM 1210 C MET A 77 -26.816 10.017 17.264 1.00 23.20 C ATOM 1211 O MET A 77 -26.723 11.059 16.616 1.00 0.30 O ATOM 1212 CB MET A 77 -27.764 8.224 15.799 1.00 43.33 C ATOM 1213 CG MET A 77 -28.380 9.342 14.973 1.00 60.10 C ATOM 1214 SD MET A 77 -29.305 8.727 13.552 1.00 4.03 S ATOM 1215 CE MET A 77 -30.806 9.694 13.681 1.00 15.45 C ATOM 0 H MET A 77 -26.834 6.849 17.619 1.00 23.01 H new ATOM 0 HA MET A 77 -25.691 8.769 15.942 1.00 4.13 H new ATOM 0 HB2 MET A 77 -27.473 7.410 15.135 1.00 43.33 H new ATOM 0 HB3 MET A 77 -28.518 7.827 16.478 1.00 43.33 H new ATOM 0 HG2 MET A 77 -29.043 9.933 15.605 1.00 60.10 H new ATOM 0 HG3 MET A 77 -27.591 10.010 14.627 1.00 60.10 H new ATOM 0 HE1 MET A 77 -31.232 9.839 12.688 1.00 15.45 H new ATOM 0 HE2 MET A 77 -31.524 9.169 14.311 1.00 15.45 H new ATOM 0 HE3 MET A 77 -30.577 10.664 14.123 1.00 15.45 H new ATOM 1225 N SER A 78 -27.151 9.991 18.550 1.00 52.41 N ATOM 1226 CA SER A 78 -27.440 11.215 19.289 1.00 62.11 C ATOM 1227 C SER A 78 -26.156 11.982 19.593 1.00 73.43 C ATOM 1228 O SER A 78 -26.061 13.181 19.334 1.00 44.45 O ATOM 1229 CB SER A 78 -28.173 10.888 20.592 1.00 44.24 C ATOM 1230 OG SER A 78 -27.959 11.897 21.564 1.00 64.32 O ATOM 0 H SER A 78 -27.229 9.137 19.102 1.00 52.41 H new ATOM 0 HA SER A 78 -28.079 11.843 18.668 1.00 62.11 H new ATOM 0 HB2 SER A 78 -29.241 10.787 20.397 1.00 44.24 H new ATOM 0 HB3 SER A 78 -27.827 9.929 20.977 1.00 44.24 H new ATOM 0 HG SER A 78 -28.439 11.666 22.387 1.00 64.32 H new ATOM 1236 N ASP A 79 -25.172 11.280 20.144 1.00 51.01 N ATOM 1237 CA ASP A 79 -23.893 11.893 20.483 1.00 61.22 C ATOM 1238 C ASP A 79 -23.228 12.483 19.243 1.00 24.22 C ATOM 1239 O ASP A 79 -22.352 13.341 19.347 1.00 52.32 O ATOM 1240 CB ASP A 79 -22.967 10.864 21.133 1.00 3.11 C ATOM 1241 CG ASP A 79 -21.771 11.507 21.809 1.00 74.30 C ATOM 1242 OD1 ASP A 79 -20.801 11.847 21.100 1.00 1.53 O ATOM 1243 OD2 ASP A 79 -21.807 11.670 23.046 1.00 22.34 O ATOM 0 H ASP A 79 -25.235 10.286 20.365 1.00 51.01 H new ATOM 0 HA ASP A 79 -24.081 12.700 21.191 1.00 61.22 H new ATOM 0 HB2 ASP A 79 -23.529 10.287 21.867 1.00 3.11 H new ATOM 0 HB3 ASP A 79 -22.619 10.163 20.375 1.00 3.11 H new ATOM 1248 N GLU A 80 -23.649 12.015 18.072 1.00 1.13 N ATOM 1249 CA GLU A 80 -23.092 12.496 16.813 1.00 22.34 C ATOM 1250 C GLU A 80 -23.358 13.988 16.635 1.00 72.31 C ATOM 1251 O GLU A 80 -22.735 14.645 15.802 1.00 44.15 O ATOM 1252 CB GLU A 80 -23.684 11.716 15.637 1.00 12.54 C ATOM 1253 CG GLU A 80 -23.238 12.231 14.279 1.00 2.53 C ATOM 1254 CD GLU A 80 -24.320 13.022 13.571 1.00 54.33 C ATOM 1255 OE1 GLU A 80 -25.114 13.693 14.264 1.00 74.44 O ATOM 1256 OE2 GLU A 80 -24.374 12.971 12.324 1.00 20.23 O ATOM 0 H GLU A 80 -24.373 11.304 17.969 1.00 1.13 H new ATOM 0 HA GLU A 80 -22.014 12.338 16.838 1.00 22.34 H new ATOM 0 HB2 GLU A 80 -23.402 10.667 15.729 1.00 12.54 H new ATOM 0 HB3 GLU A 80 -24.772 11.760 15.694 1.00 12.54 H new ATOM 0 HG2 GLU A 80 -22.357 12.860 14.405 1.00 2.53 H new ATOM 0 HG3 GLU A 80 -22.942 11.388 13.654 1.00 2.53 H new ATOM 1263 N ASP A 81 -24.289 14.515 17.423 1.00 63.31 N ATOM 1264 CA ASP A 81 -24.638 15.929 17.353 1.00 33.23 C ATOM 1265 C ASP A 81 -23.389 16.801 17.418 1.00 3.31 C ATOM 1266 O ASP A 81 -23.344 17.883 16.832 1.00 41.00 O ATOM 1267 CB ASP A 81 -25.592 16.297 18.491 1.00 71.11 C ATOM 1268 CG ASP A 81 -26.358 17.575 18.213 1.00 0.54 C ATOM 1269 OD1 ASP A 81 -26.461 17.961 17.030 1.00 60.12 O ATOM 1270 OD2 ASP A 81 -26.855 18.190 19.180 1.00 52.32 O ATOM 0 H ASP A 81 -24.815 13.984 18.117 1.00 63.31 H new ATOM 0 HA ASP A 81 -25.135 16.109 16.400 1.00 33.23 H new ATOM 0 HB2 ASP A 81 -26.297 15.481 18.648 1.00 71.11 H new ATOM 0 HB3 ASP A 81 -25.025 16.410 19.415 1.00 71.11 H new ATOM 1275 N ARG A 82 -22.377 16.324 18.135 1.00 5.10 N ATOM 1276 CA ARG A 82 -21.127 17.062 18.278 1.00 32.34 C ATOM 1277 C ARG A 82 -20.187 16.771 17.112 1.00 31.42 C ATOM 1278 O ARG A 82 -19.837 17.667 16.344 1.00 33.03 O ATOM 1279 CB ARG A 82 -20.446 16.700 19.599 1.00 5.44 C ATOM 1280 CG ARG A 82 -19.020 17.215 19.710 1.00 43.32 C ATOM 1281 CD ARG A 82 -18.954 18.722 19.511 1.00 34.45 C ATOM 1282 NE ARG A 82 -19.702 19.442 20.538 1.00 35.24 N ATOM 1283 CZ ARG A 82 -19.300 19.552 21.800 1.00 60.15 C ATOM 1284 NH1 ARG A 82 -18.162 18.992 22.187 1.00 33.00 N ATOM 1285 NH2 ARG A 82 -20.036 20.224 22.676 1.00 62.32 N ATOM 0 H ARG A 82 -22.398 15.430 18.626 1.00 5.10 H new ATOM 0 HA ARG A 82 -21.360 18.127 18.276 1.00 32.34 H new ATOM 0 HB2 ARG A 82 -21.034 17.103 20.424 1.00 5.44 H new ATOM 0 HB3 ARG A 82 -20.442 15.616 19.711 1.00 5.44 H new ATOM 0 HG2 ARG A 82 -18.614 16.958 20.689 1.00 43.32 H new ATOM 0 HG3 ARG A 82 -18.395 16.721 18.966 1.00 43.32 H new ATOM 0 HD2 ARG A 82 -17.913 19.045 19.527 1.00 34.45 H new ATOM 0 HD3 ARG A 82 -19.351 18.976 18.528 1.00 34.45 H new ATOM 0 HE ARG A 82 -20.582 19.885 20.272 1.00 35.24 H new ATOM 0 HH11 ARG A 82 -17.593 18.476 21.516 1.00 33.00 H new ATOM 0 HH12 ARG A 82 -17.855 19.078 23.156 1.00 33.00 H new ATOM 0 HH21 ARG A 82 -20.911 20.657 22.381 1.00 62.32 H new ATOM 0 HH22 ARG A 82 -19.726 20.308 23.644 1.00 62.32 H new ATOM 1299 N VAL A 83 -19.781 15.511 16.986 1.00 0.14 N ATOM 1300 CA VAL A 83 -18.882 15.101 15.914 1.00 10.21 C ATOM 1301 C VAL A 83 -19.413 15.539 14.554 1.00 54.20 C ATOM 1302 O VAL A 83 -18.649 15.718 13.606 1.00 41.32 O ATOM 1303 CB VAL A 83 -18.678 13.575 15.906 1.00 64.31 C ATOM 1304 CG1 VAL A 83 -18.287 13.081 17.290 1.00 30.45 C ATOM 1305 CG2 VAL A 83 -19.934 12.872 15.415 1.00 72.11 C ATOM 0 H VAL A 83 -20.061 14.757 17.613 1.00 0.14 H new ATOM 0 HA VAL A 83 -17.924 15.587 16.100 1.00 10.21 H new ATOM 0 HB VAL A 83 -17.865 13.338 15.219 1.00 64.31 H new ATOM 0 HG11 VAL A 83 -18.147 12.000 17.265 1.00 30.45 H new ATOM 0 HG12 VAL A 83 -17.358 13.560 17.598 1.00 30.45 H new ATOM 0 HG13 VAL A 83 -19.076 13.328 18.001 1.00 30.45 H new ATOM 0 HG21 VAL A 83 -19.772 11.794 15.416 1.00 72.11 H new ATOM 0 HG22 VAL A 83 -20.768 13.114 16.074 1.00 72.11 H new ATOM 0 HG23 VAL A 83 -20.164 13.203 14.402 1.00 72.11 H new ATOM 1315 N ARG A 84 -20.728 15.710 14.466 1.00 54.32 N ATOM 1316 CA ARG A 84 -21.363 16.127 13.221 1.00 62.10 C ATOM 1317 C ARG A 84 -20.647 17.334 12.623 1.00 5.32 C ATOM 1318 O ARG A 84 -20.580 17.488 11.403 1.00 1.34 O ATOM 1319 CB ARG A 84 -22.836 16.462 13.462 1.00 41.03 C ATOM 1320 CG ARG A 84 -23.542 17.019 12.236 1.00 30.23 C ATOM 1321 CD ARG A 84 -24.940 17.513 12.575 1.00 4.22 C ATOM 1322 NE ARG A 84 -25.700 17.868 11.380 1.00 64.13 N ATOM 1323 CZ ARG A 84 -25.453 18.947 10.645 1.00 11.15 C ATOM 1324 NH1 ARG A 84 -24.472 19.772 10.983 1.00 43.43 N ATOM 1325 NH2 ARG A 84 -26.189 19.202 9.571 1.00 43.20 N ATOM 0 H ARG A 84 -21.375 15.566 15.242 1.00 54.32 H new ATOM 0 HA ARG A 84 -21.297 15.300 12.514 1.00 62.10 H new ATOM 0 HB2 ARG A 84 -23.355 15.562 13.793 1.00 41.03 H new ATOM 0 HB3 ARG A 84 -22.907 17.187 14.273 1.00 41.03 H new ATOM 0 HG2 ARG A 84 -22.957 17.838 11.818 1.00 30.23 H new ATOM 0 HG3 ARG A 84 -23.604 16.248 11.468 1.00 30.23 H new ATOM 0 HD2 ARG A 84 -25.474 16.740 13.127 1.00 4.22 H new ATOM 0 HD3 ARG A 84 -24.869 18.381 13.230 1.00 4.22 H new ATOM 0 HE ARG A 84 -26.462 17.254 11.094 1.00 64.13 H new ATOM 0 HH11 ARG A 84 -23.905 19.579 11.809 1.00 43.43 H new ATOM 0 HH12 ARG A 84 -24.284 20.600 10.417 1.00 43.43 H new ATOM 0 HH21 ARG A 84 -26.945 18.570 9.309 1.00 43.20 H new ATOM 0 HH22 ARG A 84 -25.999 20.031 9.007 1.00 43.20 H new ATOM 1339 N TYR A 85 -20.113 18.188 13.490 1.00 61.20 N ATOM 1340 CA TYR A 85 -19.404 19.383 13.048 1.00 13.01 C ATOM 1341 C TYR A 85 -18.169 19.014 12.232 1.00 33.31 C ATOM 1342 O TYR A 85 -17.889 19.623 11.201 1.00 41.52 O ATOM 1343 CB TYR A 85 -18.998 20.235 14.252 1.00 61.31 C ATOM 1344 CG TYR A 85 -20.081 21.181 14.718 1.00 73.13 C ATOM 1345 CD1 TYR A 85 -21.334 20.706 15.085 1.00 14.15 C ATOM 1346 CD2 TYR A 85 -19.853 22.549 14.789 1.00 3.41 C ATOM 1347 CE1 TYR A 85 -22.328 21.567 15.511 1.00 23.20 C ATOM 1348 CE2 TYR A 85 -20.839 23.417 15.215 1.00 55.22 C ATOM 1349 CZ TYR A 85 -22.075 22.921 15.574 1.00 13.34 C ATOM 1350 OH TYR A 85 -23.061 23.783 15.998 1.00 74.34 O ATOM 0 H TYR A 85 -20.158 18.075 14.503 1.00 61.20 H new ATOM 0 HA TYR A 85 -20.077 19.960 12.413 1.00 13.01 H new ATOM 0 HB2 TYR A 85 -18.723 19.577 15.076 1.00 61.31 H new ATOM 0 HB3 TYR A 85 -18.110 20.812 13.995 1.00 61.31 H new ATOM 0 HD1 TYR A 85 -21.535 19.646 15.037 1.00 14.15 H new ATOM 0 HD2 TYR A 85 -18.887 22.941 14.506 1.00 3.41 H new ATOM 0 HE1 TYR A 85 -23.297 21.182 15.793 1.00 23.20 H new ATOM 0 HE2 TYR A 85 -20.644 24.478 15.267 1.00 55.22 H new ATOM 0 HH TYR A 85 -22.720 24.702 15.985 1.00 74.34 H new ATOM 1360 N GLU A 86 -17.435 18.010 12.703 1.00 75.04 N ATOM 1361 CA GLU A 86 -16.230 17.559 12.017 1.00 32.20 C ATOM 1362 C GLU A 86 -16.578 16.618 10.867 1.00 53.42 C ATOM 1363 O GLU A 86 -15.915 16.617 9.829 1.00 12.45 O ATOM 1364 CB GLU A 86 -15.291 16.855 12.999 1.00 11.41 C ATOM 1365 CG GLU A 86 -15.135 17.587 14.322 1.00 62.32 C ATOM 1366 CD GLU A 86 -14.960 19.083 14.144 1.00 34.53 C ATOM 1367 OE1 GLU A 86 -14.057 19.489 13.385 1.00 42.14 O ATOM 1368 OE2 GLU A 86 -15.729 19.846 14.766 1.00 44.53 O ATOM 0 H GLU A 86 -17.654 17.494 13.556 1.00 75.04 H new ATOM 0 HA GLU A 86 -15.727 18.435 11.608 1.00 32.20 H new ATOM 0 HB2 GLU A 86 -15.667 15.850 13.191 1.00 11.41 H new ATOM 0 HB3 GLU A 86 -14.310 16.745 12.536 1.00 11.41 H new ATOM 0 HG2 GLU A 86 -16.011 17.399 14.943 1.00 62.32 H new ATOM 0 HG3 GLU A 86 -14.274 17.185 14.856 1.00 62.32 H new ATOM 1375 N ARG A 87 -17.622 15.819 11.059 1.00 34.12 N ATOM 1376 CA ARG A 87 -18.058 14.872 10.040 1.00 40.34 C ATOM 1377 C ARG A 87 -18.454 15.598 8.757 1.00 13.54 C ATOM 1378 O ARG A 87 -17.981 15.264 7.672 1.00 21.31 O ATOM 1379 CB ARG A 87 -19.236 14.043 10.554 1.00 70.35 C ATOM 1380 CG ARG A 87 -19.770 13.048 9.536 1.00 20.42 C ATOM 1381 CD ARG A 87 -21.091 13.512 8.943 1.00 32.33 C ATOM 1382 NE ARG A 87 -21.274 13.036 7.575 1.00 51.23 N ATOM 1383 CZ ARG A 87 -22.148 13.563 6.724 1.00 3.31 C ATOM 1384 NH1 ARG A 87 -22.914 14.578 7.099 1.00 1.15 N ATOM 1385 NH2 ARG A 87 -22.256 13.076 5.495 1.00 62.52 N ATOM 0 H ARG A 87 -18.182 15.809 11.911 1.00 34.12 H new ATOM 0 HA ARG A 87 -17.224 14.206 9.818 1.00 40.34 H new ATOM 0 HB2 ARG A 87 -18.927 13.504 11.449 1.00 70.35 H new ATOM 0 HB3 ARG A 87 -20.041 14.716 10.849 1.00 70.35 H new ATOM 0 HG2 ARG A 87 -19.039 12.914 8.739 1.00 20.42 H new ATOM 0 HG3 ARG A 87 -19.905 12.076 10.011 1.00 20.42 H new ATOM 0 HD2 ARG A 87 -21.912 13.155 9.564 1.00 32.33 H new ATOM 0 HD3 ARG A 87 -21.132 14.601 8.956 1.00 32.33 H new ATOM 0 HE ARG A 87 -20.700 12.256 7.255 1.00 51.23 H new ATOM 0 HH11 ARG A 87 -22.833 14.956 8.043 1.00 1.15 H new ATOM 0 HH12 ARG A 87 -23.584 14.981 6.444 1.00 1.15 H new ATOM 0 HH21 ARG A 87 -21.668 12.296 5.202 1.00 62.52 H new ATOM 0 HH22 ARG A 87 -22.927 13.482 4.843 1.00 62.52 H new ATOM 1399 N GLU A 88 -19.326 16.593 8.892 1.00 41.21 N ATOM 1400 CA GLU A 88 -19.786 17.365 7.744 1.00 53.04 C ATOM 1401 C GLU A 88 -18.605 17.903 6.941 1.00 54.12 C ATOM 1402 O GLU A 88 -18.700 18.096 5.728 1.00 21.44 O ATOM 1403 CB GLU A 88 -20.675 18.523 8.203 1.00 71.15 C ATOM 1404 CG GLU A 88 -21.081 19.461 7.078 1.00 2.34 C ATOM 1405 CD GLU A 88 -21.794 18.744 5.949 1.00 50.14 C ATOM 1406 OE1 GLU A 88 -22.749 17.992 6.234 1.00 74.11 O ATOM 1407 OE2 GLU A 88 -21.397 18.935 4.780 1.00 33.42 O ATOM 0 H GLU A 88 -19.727 16.883 9.784 1.00 41.21 H new ATOM 0 HA GLU A 88 -20.367 16.702 7.103 1.00 53.04 H new ATOM 0 HB2 GLU A 88 -21.573 18.118 8.669 1.00 71.15 H new ATOM 0 HB3 GLU A 88 -20.148 19.093 8.968 1.00 71.15 H new ATOM 0 HG2 GLU A 88 -21.731 20.240 7.476 1.00 2.34 H new ATOM 0 HG3 GLU A 88 -20.193 19.957 6.685 1.00 2.34 H new ATOM 1414 N LYS A 89 -17.493 18.145 7.626 1.00 61.30 N ATOM 1415 CA LYS A 89 -16.292 18.660 6.979 1.00 30.12 C ATOM 1416 C LYS A 89 -15.915 17.806 5.773 1.00 63.11 C ATOM 1417 O LYS A 89 -15.410 18.316 4.773 1.00 22.22 O ATOM 1418 CB LYS A 89 -15.129 18.699 7.973 1.00 12.13 C ATOM 1419 CG LYS A 89 -13.984 19.595 7.535 1.00 63.25 C ATOM 1420 CD LYS A 89 -14.430 21.040 7.389 1.00 72.15 C ATOM 1421 CE LYS A 89 -13.262 22.002 7.540 1.00 51.20 C ATOM 1422 NZ LYS A 89 -12.658 21.932 8.899 1.00 33.04 N ATOM 0 H LYS A 89 -17.398 17.993 8.630 1.00 61.30 H new ATOM 0 HA LYS A 89 -16.501 19.673 6.634 1.00 30.12 H new ATOM 0 HB2 LYS A 89 -15.499 19.043 8.939 1.00 12.13 H new ATOM 0 HB3 LYS A 89 -14.752 17.687 8.118 1.00 12.13 H new ATOM 0 HG2 LYS A 89 -13.175 19.535 8.263 1.00 63.25 H new ATOM 0 HG3 LYS A 89 -13.585 19.239 6.585 1.00 63.25 H new ATOM 0 HD2 LYS A 89 -14.895 21.181 6.414 1.00 72.15 H new ATOM 0 HD3 LYS A 89 -15.188 21.266 8.139 1.00 72.15 H new ATOM 0 HE2 LYS A 89 -12.503 21.771 6.793 1.00 51.20 H new ATOM 0 HE3 LYS A 89 -13.602 23.019 7.346 1.00 51.20 H new ATOM 0 HZ1 LYS A 89 -12.216 22.845 9.130 1.00 33.04 H new ATOM 0 HZ2 LYS A 89 -13.399 21.720 9.598 1.00 33.04 H new ATOM 0 HZ3 LYS A 89 -11.937 21.183 8.920 1.00 33.04 H new ATOM 1436 N ALA A 90 -16.164 16.504 5.874 1.00 55.44 N ATOM 1437 CA ALA A 90 -15.854 15.581 4.789 1.00 32.15 C ATOM 1438 C ALA A 90 -16.542 16.003 3.495 1.00 24.33 C ATOM 1439 O ALA A 90 -15.882 16.283 2.495 1.00 12.31 O ATOM 1440 CB ALA A 90 -16.262 14.165 5.169 1.00 14.21 C ATOM 0 H ALA A 90 -16.579 16.065 6.696 1.00 55.44 H new ATOM 0 HA ALA A 90 -14.777 15.605 4.621 1.00 32.15 H new ATOM 0 HB1 ALA A 90 -16.025 13.486 4.350 1.00 14.21 H new ATOM 0 HB2 ALA A 90 -15.720 13.858 6.063 1.00 14.21 H new ATOM 0 HB3 ALA A 90 -17.334 14.136 5.366 1.00 14.21 H new ATOM 1446 N GLU A 91 -17.870 16.044 3.523 1.00 51.25 N ATOM 1447 CA GLU A 91 -18.646 16.430 2.350 1.00 42.52 C ATOM 1448 C GLU A 91 -18.263 17.832 1.882 1.00 74.21 C ATOM 1449 O GLU A 91 -18.434 18.176 0.712 1.00 32.41 O ATOM 1450 CB GLU A 91 -20.143 16.375 2.660 1.00 10.43 C ATOM 1451 CG GLU A 91 -20.722 14.971 2.619 1.00 40.21 C ATOM 1452 CD GLU A 91 -20.770 14.401 1.215 1.00 50.24 C ATOM 1453 OE1 GLU A 91 -20.781 15.197 0.252 1.00 31.00 O ATOM 1454 OE2 GLU A 91 -20.797 13.160 1.078 1.00 41.31 O ATOM 0 H GLU A 91 -18.431 15.815 4.344 1.00 51.25 H new ATOM 0 HA GLU A 91 -18.422 15.724 1.550 1.00 42.52 H new ATOM 0 HB2 GLU A 91 -20.317 16.802 3.648 1.00 10.43 H new ATOM 0 HB3 GLU A 91 -20.677 17.000 1.944 1.00 10.43 H new ATOM 0 HG2 GLU A 91 -20.123 14.316 3.253 1.00 40.21 H new ATOM 0 HG3 GLU A 91 -21.729 14.985 3.036 1.00 40.21 H new ATOM 1461 N TYR A 92 -17.746 18.636 2.804 1.00 52.11 N ATOM 1462 CA TYR A 92 -17.342 20.001 2.488 1.00 72.12 C ATOM 1463 C TYR A 92 -16.030 20.014 1.710 1.00 50.33 C ATOM 1464 O TYR A 92 -15.791 20.899 0.889 1.00 54.44 O ATOM 1465 CB TYR A 92 -17.196 20.822 3.770 1.00 31.22 C ATOM 1466 CG TYR A 92 -17.073 22.309 3.526 1.00 32.04 C ATOM 1467 CD1 TYR A 92 -18.118 23.029 2.962 1.00 53.25 C ATOM 1468 CD2 TYR A 92 -15.912 22.994 3.862 1.00 2.02 C ATOM 1469 CE1 TYR A 92 -18.010 24.388 2.736 1.00 21.24 C ATOM 1470 CE2 TYR A 92 -15.795 24.353 3.642 1.00 30.11 C ATOM 1471 CZ TYR A 92 -16.847 25.045 3.079 1.00 45.25 C ATOM 1472 OH TYR A 92 -16.735 26.399 2.857 1.00 31.22 O ATOM 0 H TYR A 92 -17.597 18.366 3.776 1.00 52.11 H new ATOM 0 HA TYR A 92 -18.117 20.447 1.865 1.00 72.12 H new ATOM 0 HB2 TYR A 92 -18.059 20.637 4.410 1.00 31.22 H new ATOM 0 HB3 TYR A 92 -16.316 20.478 4.314 1.00 31.22 H new ATOM 0 HD1 TYR A 92 -19.031 22.518 2.695 1.00 53.25 H new ATOM 0 HD2 TYR A 92 -15.087 22.455 4.303 1.00 2.02 H new ATOM 0 HE1 TYR A 92 -18.831 24.932 2.294 1.00 21.24 H new ATOM 0 HE2 TYR A 92 -14.885 24.870 3.909 1.00 30.11 H new ATOM 0 HH TYR A 92 -15.854 26.708 3.155 1.00 31.22 H new ATOM 1482 N ALA A 93 -15.183 19.025 1.974 1.00 4.44 N ATOM 1483 CA ALA A 93 -13.896 18.921 1.298 1.00 24.52 C ATOM 1484 C ALA A 93 -14.035 18.199 -0.038 1.00 42.00 C ATOM 1485 O ALA A 93 -13.171 18.312 -0.907 1.00 3.01 O ATOM 1486 CB ALA A 93 -12.890 18.202 2.186 1.00 50.42 C ATOM 0 H ALA A 93 -15.365 18.284 2.651 1.00 4.44 H new ATOM 0 HA ALA A 93 -13.534 19.930 1.101 1.00 24.52 H new ATOM 0 HB1 ALA A 93 -11.933 18.131 1.669 1.00 50.42 H new ATOM 0 HB2 ALA A 93 -12.760 18.759 3.114 1.00 50.42 H new ATOM 0 HB3 ALA A 93 -13.255 17.200 2.412 1.00 50.42 H new ATOM 1492 N GLN A 94 -15.127 17.458 -0.194 1.00 62.40 N ATOM 1493 CA GLN A 94 -15.377 16.717 -1.425 1.00 30.33 C ATOM 1494 C GLN A 94 -15.887 17.643 -2.524 1.00 32.14 C ATOM 1495 O GLN A 94 -15.605 17.436 -3.704 1.00 4.11 O ATOM 1496 CB GLN A 94 -16.389 15.597 -1.174 1.00 51.31 C ATOM 1497 CG GLN A 94 -16.025 14.699 -0.003 1.00 13.22 C ATOM 1498 CD GLN A 94 -16.153 13.226 -0.335 1.00 74.34 C ATOM 1499 OE1 GLN A 94 -15.608 12.753 -1.333 1.00 55.03 O ATOM 1500 NE2 GLN A 94 -16.876 12.490 0.501 1.00 15.42 N ATOM 0 H GLN A 94 -15.852 17.355 0.516 1.00 62.40 H new ATOM 0 HA GLN A 94 -14.435 16.279 -1.754 1.00 30.33 H new ATOM 0 HB2 GLN A 94 -17.369 16.038 -0.992 1.00 51.31 H new ATOM 0 HB3 GLN A 94 -16.476 14.989 -2.074 1.00 51.31 H new ATOM 0 HG2 GLN A 94 -15.002 14.910 0.307 1.00 13.22 H new ATOM 0 HG3 GLN A 94 -16.670 14.934 0.844 1.00 13.22 H new ATOM 0 HE21 GLN A 94 -17.310 12.923 1.316 1.00 15.42 H new ATOM 0 HE22 GLN A 94 -16.997 11.492 0.328 1.00 15.42 H new ATOM 1509 N ARG A 95 -16.640 18.664 -2.128 1.00 33.12 N ATOM 1510 CA ARG A 95 -17.191 19.621 -3.080 1.00 33.04 C ATOM 1511 C ARG A 95 -16.080 20.430 -3.743 1.00 30.44 C ATOM 1512 O ARG A 95 -16.214 20.869 -4.885 1.00 3.32 O ATOM 1513 CB ARG A 95 -18.173 20.562 -2.379 1.00 1.02 C ATOM 1514 CG ARG A 95 -18.762 21.621 -3.296 1.00 72.25 C ATOM 1515 CD ARG A 95 -19.549 22.661 -2.514 1.00 62.21 C ATOM 1516 NE ARG A 95 -20.089 23.705 -3.381 1.00 30.40 N ATOM 1517 CZ ARG A 95 -19.341 24.634 -3.966 1.00 35.12 C ATOM 1518 NH1 ARG A 95 -18.029 24.649 -3.778 1.00 31.20 N ATOM 1519 NH2 ARG A 95 -19.907 25.551 -4.741 1.00 64.30 N ATOM 0 H ARG A 95 -16.882 18.850 -1.155 1.00 33.12 H new ATOM 0 HA ARG A 95 -17.721 19.063 -3.852 1.00 33.04 H new ATOM 0 HB2 ARG A 95 -18.984 19.973 -1.950 1.00 1.02 H new ATOM 0 HB3 ARG A 95 -17.663 21.054 -1.550 1.00 1.02 H new ATOM 0 HG2 ARG A 95 -17.961 22.110 -3.850 1.00 72.25 H new ATOM 0 HG3 ARG A 95 -19.413 21.147 -4.030 1.00 72.25 H new ATOM 0 HD2 ARG A 95 -20.366 22.173 -1.982 1.00 62.21 H new ATOM 0 HD3 ARG A 95 -18.904 23.113 -1.761 1.00 62.21 H new ATOM 0 HE ARG A 95 -21.095 23.722 -3.546 1.00 30.40 H new ATOM 0 HH11 ARG A 95 -17.591 23.946 -3.183 1.00 31.20 H new ATOM 0 HH12 ARG A 95 -17.457 25.364 -4.229 1.00 31.20 H new ATOM 0 HH21 ARG A 95 -20.916 25.542 -4.887 1.00 64.30 H new ATOM 0 HH22 ARG A 95 -19.333 26.264 -5.190 1.00 64.30 H new ATOM 1533 N LYS A 96 -14.983 20.623 -3.018 1.00 70.41 N ATOM 1534 CA LYS A 96 -13.847 21.377 -3.534 1.00 54.45 C ATOM 1535 C LYS A 96 -13.147 20.611 -4.652 1.00 32.53 C ATOM 1536 O LYS A 96 -13.033 21.098 -5.776 1.00 51.33 O ATOM 1537 CB LYS A 96 -12.855 21.679 -2.409 1.00 53.42 C ATOM 1538 CG LYS A 96 -13.469 22.435 -1.243 1.00 52.25 C ATOM 1539 CD LYS A 96 -13.476 23.934 -1.492 1.00 51.14 C ATOM 1540 CE LYS A 96 -13.771 24.710 -0.217 1.00 61.55 C ATOM 1541 NZ LYS A 96 -13.483 26.162 -0.373 1.00 5.24 N ATOM 0 H LYS A 96 -14.857 20.267 -2.070 1.00 70.41 H new ATOM 0 HA LYS A 96 -14.222 22.316 -3.941 1.00 54.45 H new ATOM 0 HB2 LYS A 96 -12.437 20.741 -2.043 1.00 53.42 H new ATOM 0 HB3 LYS A 96 -12.027 22.261 -2.813 1.00 53.42 H new ATOM 0 HG2 LYS A 96 -14.489 22.088 -1.080 1.00 52.25 H new ATOM 0 HG3 LYS A 96 -12.909 22.219 -0.333 1.00 52.25 H new ATOM 0 HD2 LYS A 96 -12.510 24.242 -1.891 1.00 51.14 H new ATOM 0 HD3 LYS A 96 -14.224 24.175 -2.247 1.00 51.14 H new ATOM 0 HE2 LYS A 96 -14.817 24.575 0.057 1.00 61.55 H new ATOM 0 HE3 LYS A 96 -13.173 24.307 0.600 1.00 61.55 H new ATOM 0 HZ1 LYS A 96 -13.697 26.656 0.517 1.00 5.24 H new ATOM 0 HZ2 LYS A 96 -12.479 26.293 -0.609 1.00 5.24 H new ATOM 0 HZ3 LYS A 96 -14.072 26.553 -1.136 1.00 5.24 H new ATOM 1555 N VAL A 97 -12.681 19.407 -4.335 1.00 22.30 N ATOM 1556 CA VAL A 97 -11.994 18.571 -5.313 1.00 11.22 C ATOM 1557 C VAL A 97 -12.948 18.114 -6.411 1.00 64.00 C ATOM 1558 O VAL A 97 -12.609 18.144 -7.594 1.00 4.30 O ATOM 1559 CB VAL A 97 -11.362 17.334 -4.649 1.00 33.54 C ATOM 1560 CG1 VAL A 97 -10.677 16.461 -5.689 1.00 21.54 C ATOM 1561 CG2 VAL A 97 -10.382 17.754 -3.564 1.00 32.34 C ATOM 0 H VAL A 97 -12.767 18.989 -3.409 1.00 22.30 H new ATOM 0 HA VAL A 97 -11.204 19.181 -5.752 1.00 11.22 H new ATOM 0 HB VAL A 97 -12.155 16.748 -4.183 1.00 33.54 H new ATOM 0 HG11 VAL A 97 -10.236 15.592 -5.201 1.00 21.54 H new ATOM 0 HG12 VAL A 97 -11.409 16.131 -6.426 1.00 21.54 H new ATOM 0 HG13 VAL A 97 -9.894 17.034 -6.186 1.00 21.54 H new ATOM 0 HG21 VAL A 97 -9.945 16.867 -3.105 1.00 32.34 H new ATOM 0 HG22 VAL A 97 -9.591 18.362 -4.003 1.00 32.34 H new ATOM 0 HG23 VAL A 97 -10.907 18.334 -2.805 1.00 32.34 H new TER 1571 VAL A 97