USER MOD reduce.3.24.130724 H: found=0, std=0, add=789, rem=0, adj=22 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 58 ASN : amide:sc= 0.12 K(o=0.63,f=-8.1!) USER MOD Set 1.2: A 62 LYS NZ :NH3+ 142:sc= 0.513 (180deg=0) USER MOD Set 2.1: A 9 GLN : amide:sc= -1.57 K(o=-1.8,f=-3.5) USER MOD Set 2.2: A 51 THR OG1 : rot -105:sc= -0.204 USER MOD Single : A 1 MET CE :methyl 161:sc= -0.0977 (180deg=-0.554) USER MOD Single : A 1 MET N :NH3+ -167:sc= -0.0304 (180deg=-0.336) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN :FLIP amide:sc= -0.646 F(o=-2.3,f=-0.65) USER MOD Single : A 17 GLN : amide:sc= -1.47 K(o=-1.5,f=-3.2) USER MOD Single : A 22 GLN :FLIP amide:sc= -0.353 F(o=-1.1,f=-0.35) USER MOD Single : A 23 SER OG : rot 3:sc= 0.957 USER MOD Single : A 24 ASN : amide:sc= -1 X(o=-1,f=-0.69) USER MOD Single : A 27 ASN : amide:sc=-0.00905 X(o=-0.0091,f=0) USER MOD Single : A 28 MET CE :methyl -157:sc= -0.167 (180deg=-0.816) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 64:sc= 0.528 USER MOD Single : A 40 LYS NZ :NH3+ 166:sc=-0.00684 (180deg=-0.146) 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+ 158:sc= 1.04 (180deg=0.298) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 172:sc= 0.968 (180deg=0.816) USER MOD Single : A 64 THR OG1 : rot -115:sc= 0.767 USER MOD Single : A 65 LYS NZ :NH3+ -98:sc= 0.775 (180deg=-0.975!) USER MOD Single : A 66 ASN : amide:sc= 0.539 K(o=0.54,f=-12!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 177:sc= 1.21 (180deg=1.15) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.0392 X(o=-0.039,f=-0.018) USER MOD Single : A 82 LYS NZ :NH3+ 174:sc= 0.829 (180deg=0.532) USER MOD Single : A 88 HIS : no HD1:sc= -0.0769 K(o=-0.077,f=-0.59) USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.210 -0.825 -2.125 1.00 34.24 N ATOM 2 CA MET A 1 4.065 -1.394 -2.887 1.00 42.45 C ATOM 3 C MET A 1 4.177 -2.922 -3.007 1.00 62.01 C ATOM 4 O MET A 1 3.170 -3.631 -2.987 1.00 3.44 O ATOM 5 CB MET A 1 3.995 -0.769 -4.287 1.00 4.05 C ATOM 6 CG MET A 1 3.856 0.748 -4.282 1.00 4.34 C ATOM 7 SD MET A 1 3.763 1.443 -5.945 1.00 4.24 S ATOM 8 CE MET A 1 2.229 0.723 -6.536 1.00 71.35 C ATOM 0 H1 MET A 1 5.002 0.162 -1.871 1.00 34.24 H new ATOM 0 H2 MET A 1 5.362 -1.381 -1.259 1.00 34.24 H new ATOM 0 H3 MET A 1 6.068 -0.857 -2.712 1.00 34.24 H new ATOM 0 HA MET A 1 3.152 -1.159 -2.339 1.00 42.45 H new ATOM 0 HB2 MET A 1 4.895 -1.039 -4.840 1.00 4.05 H new ATOM 0 HB3 MET A 1 3.150 -1.199 -4.824 1.00 4.05 H new ATOM 0 HG2 MET A 1 2.960 1.025 -3.726 1.00 4.34 H new ATOM 0 HG3 MET A 1 4.705 1.185 -3.757 1.00 4.34 H new ATOM 0 HE1 MET A 1 1.861 1.298 -7.386 1.00 71.35 H new ATOM 0 HE2 MET A 1 2.406 -0.308 -6.844 1.00 71.35 H new ATOM 0 HE3 MET A 1 1.487 0.741 -5.738 1.00 71.35 H new ATOM 20 N THR A 2 5.404 -3.426 -3.134 1.00 24.14 N ATOM 21 CA THR A 2 5.640 -4.872 -3.232 1.00 73.53 C ATOM 22 C THR A 2 6.883 -5.296 -2.428 1.00 4.52 C ATOM 23 O THR A 2 7.962 -5.535 -2.976 1.00 25.24 O ATOM 24 CB THR A 2 5.763 -5.337 -4.709 1.00 53.43 C ATOM 25 OG1 THR A 2 6.111 -6.728 -4.774 1.00 32.01 O ATOM 26 CG2 THR A 2 6.793 -4.511 -5.476 1.00 50.41 C ATOM 0 H THR A 2 6.251 -2.858 -3.172 1.00 24.14 H new ATOM 0 HA THR A 2 4.770 -5.364 -2.798 1.00 73.53 H new ATOM 0 HB THR A 2 4.790 -5.187 -5.177 1.00 53.43 H new ATOM 0 HG1 THR A 2 6.183 -7.004 -5.712 1.00 32.01 H new ATOM 0 HG21 THR A 2 6.851 -4.866 -6.505 1.00 50.41 H new ATOM 0 HG22 THR A 2 6.496 -3.462 -5.470 1.00 50.41 H new ATOM 0 HG23 THR A 2 7.769 -4.614 -5.001 1.00 50.41 H new ATOM 34 N ALA A 3 6.720 -5.366 -1.110 1.00 10.25 N ATOM 35 CA ALA A 3 7.798 -5.771 -0.203 1.00 51.22 C ATOM 36 C ALA A 3 7.229 -6.401 1.076 1.00 0.21 C ATOM 37 O ALA A 3 6.173 -5.988 1.569 1.00 13.52 O ATOM 38 CB ALA A 3 8.686 -4.577 0.141 1.00 13.23 C ATOM 0 H ALA A 3 5.843 -5.145 -0.639 1.00 10.25 H new ATOM 0 HA ALA A 3 8.405 -6.520 -0.712 1.00 51.22 H new ATOM 0 HB1 ALA A 3 9.481 -4.897 0.815 1.00 13.23 H new ATOM 0 HB2 ALA A 3 9.125 -4.175 -0.772 1.00 13.23 H new ATOM 0 HB3 ALA A 3 8.087 -3.806 0.626 1.00 13.23 H new ATOM 44 N ALA A 4 7.926 -7.404 1.603 1.00 74.41 N ATOM 45 CA ALA A 4 7.497 -8.093 2.824 1.00 75.30 C ATOM 46 C ALA A 4 7.926 -7.318 4.086 1.00 65.41 C ATOM 47 O ALA A 4 8.974 -6.672 4.094 1.00 41.25 O ATOM 48 CB ALA A 4 8.067 -9.510 2.850 1.00 41.20 C ATOM 0 H ALA A 4 8.794 -7.761 1.204 1.00 74.41 H new ATOM 0 HA ALA A 4 6.408 -8.145 2.821 1.00 75.30 H new ATOM 0 HB1 ALA A 4 7.744 -10.015 3.760 1.00 41.20 H new ATOM 0 HB2 ALA A 4 7.709 -10.062 1.981 1.00 41.20 H new ATOM 0 HB3 ALA A 4 9.156 -9.465 2.827 1.00 41.20 H new ATOM 54 N PRO A 5 7.120 -7.367 5.172 1.00 21.32 N ATOM 55 CA PRO A 5 7.440 -6.669 6.435 1.00 0.52 C ATOM 56 C PRO A 5 8.857 -6.977 6.947 1.00 64.53 C ATOM 57 O PRO A 5 9.611 -6.065 7.281 1.00 22.03 O ATOM 58 CB PRO A 5 6.384 -7.201 7.410 1.00 21.04 C ATOM 59 CG PRO A 5 5.235 -7.591 6.542 1.00 14.50 C ATOM 60 CD PRO A 5 5.837 -8.091 5.253 1.00 55.54 C ATOM 0 HA PRO A 5 7.423 -5.586 6.313 1.00 0.52 H new ATOM 0 HB2 PRO A 5 6.760 -8.053 7.976 1.00 21.04 H new ATOM 0 HB3 PRO A 5 6.094 -6.440 8.134 1.00 21.04 H new ATOM 0 HG2 PRO A 5 4.633 -8.365 7.017 1.00 14.50 H new ATOM 0 HG3 PRO A 5 4.577 -6.741 6.361 1.00 14.50 H new ATOM 0 HD2 PRO A 5 5.985 -9.171 5.271 1.00 55.54 H new ATOM 0 HD3 PRO A 5 5.197 -7.871 4.399 1.00 55.54 H new ATOM 68 N ALA A 6 9.196 -8.269 7.013 1.00 15.12 N ATOM 69 CA ALA A 6 10.547 -8.728 7.385 1.00 22.51 C ATOM 70 C ALA A 6 11.053 -8.122 8.710 1.00 4.11 C ATOM 71 O ALA A 6 10.973 -8.755 9.765 1.00 63.32 O ATOM 72 CB ALA A 6 11.531 -8.441 6.253 1.00 32.21 C ATOM 0 H ALA A 6 8.546 -9.028 6.811 1.00 15.12 H new ATOM 0 HA ALA A 6 10.479 -9.804 7.547 1.00 22.51 H new ATOM 0 HB1 ALA A 6 12.525 -8.784 6.539 1.00 32.21 H new ATOM 0 HB2 ALA A 6 11.212 -8.965 5.352 1.00 32.21 H new ATOM 0 HB3 ALA A 6 11.559 -7.369 6.059 1.00 32.21 H new ATOM 78 N SER A 7 11.574 -6.897 8.647 1.00 34.53 N ATOM 79 CA SER A 7 12.140 -6.225 9.825 1.00 4.53 C ATOM 80 C SER A 7 11.082 -5.399 10.577 1.00 45.22 C ATOM 81 O SER A 7 10.508 -4.457 10.022 1.00 44.54 O ATOM 82 CB SER A 7 13.296 -5.301 9.411 1.00 65.21 C ATOM 83 OG SER A 7 14.330 -6.016 8.752 1.00 33.32 O ATOM 0 H SER A 7 11.618 -6.345 7.791 1.00 34.53 H new ATOM 0 HA SER A 7 12.507 -7.005 10.492 1.00 4.53 H new ATOM 0 HB2 SER A 7 12.918 -4.518 8.753 1.00 65.21 H new ATOM 0 HB3 SER A 7 13.701 -4.807 10.294 1.00 65.21 H new ATOM 0 HG SER A 7 15.047 -5.397 8.502 1.00 33.32 H new ATOM 89 N PRO A 8 10.830 -5.722 11.866 1.00 25.00 N ATOM 90 CA PRO A 8 9.897 -4.961 12.728 1.00 61.52 C ATOM 91 C PRO A 8 10.155 -3.441 12.710 1.00 50.33 C ATOM 92 O PRO A 8 9.251 -2.642 12.955 1.00 42.33 O ATOM 93 CB PRO A 8 10.160 -5.540 14.122 1.00 62.24 C ATOM 94 CG PRO A 8 10.624 -6.934 13.863 1.00 51.44 C ATOM 95 CD PRO A 8 11.427 -6.867 12.589 1.00 14.50 C ATOM 0 HA PRO A 8 8.865 -5.061 12.392 1.00 61.52 H new ATOM 0 HB2 PRO A 8 10.915 -4.963 14.656 1.00 62.24 H new ATOM 0 HB3 PRO A 8 9.258 -5.529 14.734 1.00 62.24 H new ATOM 0 HG2 PRO A 8 11.231 -7.304 14.689 1.00 51.44 H new ATOM 0 HG3 PRO A 8 9.779 -7.615 13.758 1.00 51.44 H new ATOM 0 HD2 PRO A 8 12.486 -6.707 12.790 1.00 14.50 H new ATOM 0 HD3 PRO A 8 11.347 -7.790 12.015 1.00 14.50 H new ATOM 103 N GLN A 9 11.393 -3.057 12.400 1.00 54.32 N ATOM 104 CA GLN A 9 11.804 -1.644 12.388 1.00 51.24 C ATOM 105 C GLN A 9 10.952 -0.821 11.403 1.00 21.23 C ATOM 106 O GLN A 9 10.638 0.344 11.651 1.00 61.41 O ATOM 107 CB GLN A 9 13.280 -1.542 11.968 1.00 54.34 C ATOM 108 CG GLN A 9 14.213 -2.534 12.661 1.00 14.02 C ATOM 109 CD GLN A 9 14.295 -2.343 14.167 1.00 30.34 C ATOM 110 OE1 GLN A 9 14.093 -1.251 14.683 1.00 70.04 O ATOM 111 NE2 GLN A 9 14.613 -3.400 14.883 1.00 64.40 N ATOM 0 H GLN A 9 12.138 -3.708 12.151 1.00 54.32 H new ATOM 0 HA GLN A 9 11.663 -1.245 13.392 1.00 51.24 H new ATOM 0 HB2 GLN A 9 13.348 -1.693 10.891 1.00 54.34 H new ATOM 0 HB3 GLN A 9 13.632 -0.531 12.171 1.00 54.34 H new ATOM 0 HG2 GLN A 9 13.873 -3.548 12.450 1.00 14.02 H new ATOM 0 HG3 GLN A 9 15.212 -2.438 12.236 1.00 14.02 H new ATOM 0 HE21 GLN A 9 14.775 -4.297 14.424 1.00 64.40 H new ATOM 0 HE22 GLN A 9 14.697 -3.323 15.897 1.00 64.40 H new ATOM 120 N GLN A 10 10.585 -1.446 10.288 1.00 64.23 N ATOM 121 CA GLN A 10 9.789 -0.794 9.239 1.00 2.32 C ATOM 122 C GLN A 10 8.347 -0.501 9.700 1.00 41.03 C ATOM 123 O GLN A 10 7.721 0.457 9.247 1.00 75.03 O ATOM 124 CB GLN A 10 9.792 -1.659 7.973 1.00 14.12 C ATOM 125 CG GLN A 10 11.159 -1.730 7.290 1.00 42.31 C ATOM 126 CD GLN A 10 11.217 -2.761 6.172 1.00 11.53 C ATOM 127 OE1 GLN A 10 10.545 -3.876 6.356 1.00 20.34 O flip ATOM 128 NE2 GLN A 10 11.903 -2.579 5.172 1.00 73.41 N flip ATOM 0 H GLN A 10 10.827 -2.415 10.081 1.00 64.23 H new ATOM 0 HA GLN A 10 10.250 0.169 9.019 1.00 2.32 H new ATOM 0 HB2 GLN A 10 9.470 -2.668 8.230 1.00 14.12 H new ATOM 0 HB3 GLN A 10 9.062 -1.261 7.268 1.00 14.12 H new ATOM 0 HG2 GLN A 10 11.407 -0.749 6.884 1.00 42.31 H new ATOM 0 HG3 GLN A 10 11.918 -1.968 8.035 1.00 42.31 H new ATOM 0 HE21 GLN A 10 12.414 -1.704 5.056 1.00 73.41 H new ATOM 0 HE22 GLN A 10 11.963 -3.303 4.456 1.00 73.41 H new ATOM 137 N ILE A 11 7.834 -1.330 10.607 1.00 64.32 N ATOM 138 CA ILE A 11 6.454 -1.202 11.102 1.00 40.40 C ATOM 139 C ILE A 11 6.208 0.175 11.755 1.00 64.23 C ATOM 140 O ILE A 11 5.100 0.716 11.691 1.00 54.22 O ATOM 141 CB ILE A 11 6.117 -2.331 12.114 1.00 61.01 C ATOM 142 CG1 ILE A 11 6.281 -3.711 11.448 1.00 51.04 C ATOM 143 CG2 ILE A 11 4.699 -2.165 12.662 1.00 24.04 C ATOM 144 CD1 ILE A 11 6.014 -4.883 12.375 1.00 10.54 C ATOM 0 H ILE A 11 8.353 -2.105 11.020 1.00 64.32 H new ATOM 0 HA ILE A 11 5.797 -1.294 10.237 1.00 40.40 H new ATOM 0 HB ILE A 11 6.813 -2.262 12.950 1.00 61.01 H new ATOM 0 HG12 ILE A 11 5.604 -3.774 10.596 1.00 51.04 H new ATOM 0 HG13 ILE A 11 7.295 -3.795 11.056 1.00 51.04 H new ATOM 0 HG21 ILE A 11 4.486 -2.967 13.369 1.00 24.04 H new ATOM 0 HG22 ILE A 11 4.615 -1.203 13.168 1.00 24.04 H new ATOM 0 HG23 ILE A 11 3.984 -2.206 11.840 1.00 24.04 H new ATOM 0 HD11 ILE A 11 6.151 -5.817 11.830 1.00 10.54 H new ATOM 0 HD12 ILE A 11 6.708 -4.848 13.215 1.00 10.54 H new ATOM 0 HD13 ILE A 11 4.991 -4.827 12.747 1.00 10.54 H new ATOM 156 N ARG A 12 7.254 0.744 12.362 1.00 34.41 N ATOM 157 CA ARG A 12 7.161 2.048 13.038 1.00 63.13 C ATOM 158 C ARG A 12 6.615 3.148 12.106 1.00 22.23 C ATOM 159 O ARG A 12 5.862 4.020 12.547 1.00 4.20 O ATOM 160 CB ARG A 12 8.545 2.450 13.583 1.00 74.25 C ATOM 161 CG ARG A 12 8.613 3.867 14.155 1.00 2.13 C ATOM 162 CD ARG A 12 9.976 4.166 14.780 1.00 34.21 C ATOM 163 NE ARG A 12 10.146 5.589 15.086 1.00 52.25 N ATOM 164 CZ ARG A 12 10.256 6.084 16.293 1.00 23.42 C ATOM 165 NH1 ARG A 12 10.189 5.323 17.335 1.00 43.10 N1+ ATOM 166 NH2 ARG A 12 10.438 7.350 16.459 1.00 22.24 N ATOM 0 H ARG A 12 8.182 0.321 12.401 1.00 34.41 H new ATOM 0 HA ARG A 12 6.456 1.945 13.863 1.00 63.13 H new ATOM 0 HB2 ARG A 12 8.835 1.743 14.361 1.00 74.25 H new ATOM 0 HB3 ARG A 12 9.278 2.360 12.781 1.00 74.25 H new ATOM 0 HG2 ARG A 12 8.411 4.588 13.363 1.00 2.13 H new ATOM 0 HG3 ARG A 12 7.834 3.993 14.907 1.00 2.13 H new ATOM 0 HD2 ARG A 12 10.090 3.584 15.694 1.00 34.21 H new ATOM 0 HD3 ARG A 12 10.764 3.846 14.098 1.00 34.21 H new ATOM 0 HE ARG A 12 10.181 6.241 14.302 1.00 52.25 H new ATOM 0 HH11 ARG A 12 10.048 4.319 17.225 1.00 43.10 H new ATOM 0 HH12 ARG A 12 10.277 5.726 18.268 1.00 43.10 H new ATOM 0 HH21 ARG A 12 10.496 7.967 15.649 1.00 22.24 H new ATOM 0 HH22 ARG A 12 10.523 7.734 17.400 1.00 22.24 H new ATOM 180 N ASP A 13 6.973 3.093 10.820 1.00 75.33 N ATOM 181 CA ASP A 13 6.502 4.085 9.844 1.00 43.11 C ATOM 182 C ASP A 13 4.964 4.153 9.813 1.00 44.44 C ATOM 183 O ASP A 13 4.377 5.238 9.782 1.00 44.30 O ATOM 184 CB ASP A 13 7.032 3.746 8.445 1.00 33.42 C ATOM 185 CG ASP A 13 6.660 4.803 7.418 1.00 22.14 C ATOM 186 OD1 ASP A 13 7.421 5.784 7.265 1.00 23.40 O ATOM 187 OD2 ASP A 13 5.606 4.669 6.764 1.00 61.25 O1- ATOM 0 H ASP A 13 7.585 2.376 10.430 1.00 75.33 H new ATOM 0 HA ASP A 13 6.883 5.059 10.150 1.00 43.11 H new ATOM 0 HB2 ASP A 13 8.117 3.646 8.484 1.00 33.42 H new ATOM 0 HB3 ASP A 13 6.634 2.781 8.131 1.00 33.42 H new ATOM 192 N ARG A 14 4.321 2.984 9.841 1.00 63.13 N ATOM 193 CA ARG A 14 2.858 2.908 9.820 1.00 63.52 C ATOM 194 C ARG A 14 2.232 3.625 11.026 1.00 13.12 C ATOM 195 O ARG A 14 1.136 4.175 10.926 1.00 1.34 O ATOM 196 CB ARG A 14 2.386 1.447 9.765 1.00 24.03 C ATOM 197 CG ARG A 14 2.687 0.748 8.440 1.00 61.13 C ATOM 198 CD ARG A 14 1.972 -0.598 8.338 1.00 53.14 C ATOM 199 NE ARG A 14 2.152 -1.238 7.034 1.00 2.00 N ATOM 200 CZ ARG A 14 1.488 -0.913 5.952 1.00 62.32 C ATOM 201 NH1 ARG A 14 0.682 0.100 5.948 1.00 34.23 N1+ ATOM 202 NH2 ARG A 14 1.645 -1.598 4.869 1.00 64.40 N ATOM 0 H ARG A 14 4.789 2.078 9.878 1.00 63.13 H new ATOM 0 HA ARG A 14 2.522 3.419 8.918 1.00 63.52 H new ATOM 0 HB2 ARG A 14 2.861 0.891 10.574 1.00 24.03 H new ATOM 0 HB3 ARG A 14 1.311 1.416 9.945 1.00 24.03 H new ATOM 0 HG2 ARG A 14 2.379 1.388 7.613 1.00 61.13 H new ATOM 0 HG3 ARG A 14 3.762 0.597 8.344 1.00 61.13 H new ATOM 0 HD2 ARG A 14 2.344 -1.262 9.118 1.00 53.14 H new ATOM 0 HD3 ARG A 14 0.908 -0.454 8.523 1.00 53.14 H new ATOM 0 HE ARG A 14 2.840 -1.987 6.963 1.00 2.00 H new ATOM 0 HH11 ARG A 14 0.558 0.656 6.794 1.00 34.23 H new ATOM 0 HH12 ARG A 14 0.171 0.342 5.099 1.00 34.23 H new ATOM 0 HH21 ARG A 14 2.286 -2.392 4.856 1.00 64.40 H new ATOM 0 HH22 ARG A 14 1.128 -1.346 4.026 1.00 64.40 H new ATOM 216 N LEU A 15 2.926 3.614 12.159 1.00 41.04 N ATOM 217 CA LEU A 15 2.456 4.310 13.366 1.00 0.33 C ATOM 218 C LEU A 15 2.395 5.831 13.129 1.00 24.32 C ATOM 219 O LEU A 15 1.371 6.472 13.372 1.00 32.13 O ATOM 220 CB LEU A 15 3.384 3.966 14.554 1.00 22.02 C ATOM 221 CG LEU A 15 2.941 4.464 15.950 1.00 73.10 C ATOM 222 CD1 LEU A 15 3.625 3.650 17.048 1.00 24.15 C ATOM 223 CD2 LEU A 15 3.255 5.951 16.142 1.00 41.31 C ATOM 0 H LEU A 15 3.818 3.132 12.273 1.00 41.04 H new ATOM 0 HA LEU A 15 1.446 3.976 13.603 1.00 0.33 H new ATOM 0 HB2 LEU A 15 3.492 2.882 14.598 1.00 22.02 H new ATOM 0 HB3 LEU A 15 4.372 4.377 14.344 1.00 22.02 H new ATOM 0 HG LEU A 15 1.861 4.330 16.017 1.00 73.10 H new ATOM 0 HD11 LEU A 15 3.303 4.013 18.024 1.00 24.15 H new ATOM 0 HD12 LEU A 15 3.355 2.599 16.944 1.00 24.15 H new ATOM 0 HD13 LEU A 15 4.706 3.757 16.960 1.00 24.15 H new ATOM 0 HD21 LEU A 15 2.930 6.266 17.134 1.00 41.31 H new ATOM 0 HD22 LEU A 15 4.329 6.112 16.044 1.00 41.31 H new ATOM 0 HD23 LEU A 15 2.730 6.534 15.386 1.00 41.31 H new ATOM 235 N LEU A 16 3.491 6.395 12.620 1.00 12.42 N ATOM 236 CA LEU A 16 3.601 7.848 12.403 1.00 10.15 C ATOM 237 C LEU A 16 2.523 8.384 11.441 1.00 33.40 C ATOM 238 O LEU A 16 2.006 9.489 11.625 1.00 54.52 O ATOM 239 CB LEU A 16 5.000 8.209 11.866 1.00 50.15 C ATOM 240 CG LEU A 16 6.137 8.243 12.908 1.00 73.45 C ATOM 241 CD1 LEU A 16 6.308 6.893 13.598 1.00 12.52 C ATOM 242 CD2 LEU A 16 7.446 8.680 12.252 1.00 22.20 C ATOM 0 H LEU A 16 4.322 5.869 12.347 1.00 12.42 H new ATOM 0 HA LEU A 16 3.444 8.322 13.372 1.00 10.15 H new ATOM 0 HB2 LEU A 16 5.266 7.491 11.091 1.00 50.15 H new ATOM 0 HB3 LEU A 16 4.943 9.187 11.388 1.00 50.15 H new ATOM 0 HG LEU A 16 5.865 8.971 13.673 1.00 73.45 H new ATOM 0 HD11 LEU A 16 7.118 6.956 14.325 1.00 12.52 H new ATOM 0 HD12 LEU A 16 5.383 6.625 14.108 1.00 12.52 H new ATOM 0 HD13 LEU A 16 6.546 6.132 12.855 1.00 12.52 H new ATOM 0 HD21 LEU A 16 8.239 8.699 13.000 1.00 22.20 H new ATOM 0 HD22 LEU A 16 7.709 7.977 11.462 1.00 22.20 H new ATOM 0 HD23 LEU A 16 7.325 9.676 11.826 1.00 22.20 H new ATOM 254 N GLN A 17 2.211 7.615 10.402 1.00 43.54 N ATOM 255 CA GLN A 17 1.206 8.021 9.407 1.00 41.41 C ATOM 256 C GLN A 17 -0.240 7.803 9.900 1.00 30.21 C ATOM 257 O GLN A 17 -1.182 8.398 9.366 1.00 21.32 O ATOM 258 CB GLN A 17 1.455 7.277 8.080 1.00 13.20 C ATOM 259 CG GLN A 17 1.364 5.752 8.176 1.00 23.21 C ATOM 260 CD GLN A 17 -0.032 5.209 7.908 1.00 24.24 C ATOM 261 OE1 GLN A 17 -0.785 5.761 7.116 1.00 24.44 O ATOM 262 NE2 GLN A 17 -0.398 4.137 8.584 1.00 1.14 N ATOM 0 H GLN A 17 2.636 6.706 10.221 1.00 43.54 H new ATOM 0 HA GLN A 17 1.316 9.093 9.246 1.00 41.41 H new ATOM 0 HB2 GLN A 17 0.732 7.625 7.343 1.00 13.20 H new ATOM 0 HB3 GLN A 17 2.444 7.546 7.708 1.00 13.20 H new ATOM 0 HG2 GLN A 17 2.060 5.309 7.464 1.00 23.21 H new ATOM 0 HG3 GLN A 17 1.682 5.439 9.170 1.00 23.21 H new ATOM 0 HE21 GLN A 17 0.252 3.699 9.237 1.00 1.14 H new ATOM 0 HE22 GLN A 17 -1.331 3.746 8.454 1.00 1.14 H new ATOM 271 N ALA A 18 -0.417 6.969 10.926 1.00 24.24 N ATOM 272 CA ALA A 18 -1.760 6.574 11.374 1.00 51.52 C ATOM 273 C ALA A 18 -2.347 7.508 12.448 1.00 51.24 C ATOM 274 O ALA A 18 -3.566 7.698 12.512 1.00 11.24 O ATOM 275 CB ALA A 18 -1.723 5.143 11.899 1.00 42.00 C ATOM 0 H ALA A 18 0.346 6.554 11.462 1.00 24.24 H new ATOM 0 HA ALA A 18 -2.415 6.648 10.506 1.00 51.52 H new ATOM 0 HB1 ALA A 18 -2.719 4.851 12.231 1.00 42.00 H new ATOM 0 HB2 ALA A 18 -1.394 4.473 11.105 1.00 42.00 H new ATOM 0 HB3 ALA A 18 -1.029 5.081 12.737 1.00 42.00 H new ATOM 281 N ILE A 19 -1.490 8.131 13.254 1.00 0.04 N ATOM 282 CA ILE A 19 -1.954 8.921 14.412 1.00 52.15 C ATOM 283 C ILE A 19 -1.137 10.205 14.627 1.00 51.11 C ATOM 284 O ILE A 19 -0.031 10.355 14.107 1.00 14.31 O ATOM 285 CB ILE A 19 -1.868 8.092 15.723 1.00 34.31 C ATOM 286 CG1 ILE A 19 -0.415 7.642 15.960 1.00 32.13 C ATOM 287 CG2 ILE A 19 -2.817 6.892 15.683 1.00 23.13 C ATOM 288 CD1 ILE A 19 -0.191 6.933 17.277 1.00 72.21 C ATOM 0 H ILE A 19 -0.477 8.110 13.136 1.00 0.04 H new ATOM 0 HA ILE A 19 -2.986 9.188 14.184 1.00 52.15 H new ATOM 0 HB ILE A 19 -2.180 8.723 16.555 1.00 34.31 H new ATOM 0 HG12 ILE A 19 -0.115 6.979 15.148 1.00 32.13 H new ATOM 0 HG13 ILE A 19 0.236 8.515 15.915 1.00 32.13 H new ATOM 0 HG21 ILE A 19 -2.734 6.331 16.614 1.00 23.13 H new ATOM 0 HG22 ILE A 19 -3.842 7.243 15.560 1.00 23.13 H new ATOM 0 HG23 ILE A 19 -2.552 6.246 14.846 1.00 23.13 H new ATOM 0 HD11 ILE A 19 0.858 6.650 17.364 1.00 72.21 H new ATOM 0 HD12 ILE A 19 -0.457 7.599 18.098 1.00 72.21 H new ATOM 0 HD13 ILE A 19 -0.813 6.039 17.319 1.00 72.21 H new ATOM 300 N ASP A 20 -1.702 11.126 15.407 1.00 44.25 N ATOM 301 CA ASP A 20 -0.962 12.284 15.918 1.00 22.54 C ATOM 302 C ASP A 20 -0.174 11.891 17.180 1.00 73.13 C ATOM 303 O ASP A 20 -0.510 10.904 17.837 1.00 13.33 O ATOM 304 CB ASP A 20 -1.932 13.431 16.246 1.00 34.30 C ATOM 305 CG ASP A 20 -2.437 14.162 15.014 1.00 53.31 C ATOM 306 OD1 ASP A 20 -2.877 15.325 15.149 1.00 50.12 O ATOM 307 OD2 ASP A 20 -2.395 13.590 13.908 1.00 33.13 O1- ATOM 0 H ASP A 20 -2.678 11.093 15.702 1.00 44.25 H new ATOM 0 HA ASP A 20 -0.264 12.619 15.151 1.00 22.54 H new ATOM 0 HB2 ASP A 20 -2.783 13.031 16.797 1.00 34.30 H new ATOM 0 HB3 ASP A 20 -1.433 14.143 16.903 1.00 34.30 H new ATOM 312 N PRO A 21 0.872 12.663 17.553 1.00 44.33 N ATOM 313 CA PRO A 21 1.684 12.377 18.757 1.00 63.04 C ATOM 314 C PRO A 21 0.844 12.128 20.030 1.00 72.41 C ATOM 315 O PRO A 21 1.305 11.478 20.968 1.00 74.23 O ATOM 316 CB PRO A 21 2.532 13.646 18.909 1.00 73.11 C ATOM 317 CG PRO A 21 2.666 14.177 17.522 1.00 21.33 C ATOM 318 CD PRO A 21 1.365 13.856 16.829 1.00 53.32 C ATOM 0 HA PRO A 21 2.260 11.459 18.640 1.00 63.04 H new ATOM 0 HB2 PRO A 21 2.049 14.370 19.566 1.00 73.11 H new ATOM 0 HB3 PRO A 21 3.506 13.422 19.344 1.00 73.11 H new ATOM 0 HG2 PRO A 21 2.849 15.251 17.531 1.00 21.33 H new ATOM 0 HG3 PRO A 21 3.508 13.715 17.006 1.00 21.33 H new ATOM 0 HD2 PRO A 21 0.660 14.685 16.895 1.00 53.32 H new ATOM 0 HD3 PRO A 21 1.515 13.649 15.770 1.00 53.32 H new ATOM 326 N GLN A 22 -0.386 12.641 20.053 1.00 71.34 N ATOM 327 CA GLN A 22 -1.291 12.458 21.200 1.00 62.52 C ATOM 328 C GLN A 22 -2.248 11.264 21.020 1.00 15.12 C ATOM 329 O GLN A 22 -3.318 11.229 21.628 1.00 32.32 O ATOM 330 CB GLN A 22 -2.089 13.745 21.461 1.00 5.24 C ATOM 331 CG GLN A 22 -1.291 14.819 22.192 1.00 62.33 C ATOM 332 CD GLN A 22 -0.769 14.344 23.543 1.00 3.42 C ATOM 333 OE1 GLN A 22 -1.504 13.466 24.202 1.00 42.03 O flip ATOM 334 NE2 GLN A 22 0.290 14.771 23.998 1.00 1.33 N flip ATOM 0 H GLN A 22 -0.784 13.189 19.290 1.00 71.34 H new ATOM 0 HA GLN A 22 -0.665 12.236 22.064 1.00 62.52 H new ATOM 0 HB2 GLN A 22 -2.436 14.147 20.509 1.00 5.24 H new ATOM 0 HB3 GLN A 22 -2.975 13.501 22.046 1.00 5.24 H new ATOM 0 HG2 GLN A 22 -0.451 15.128 21.570 1.00 62.33 H new ATOM 0 HG3 GLN A 22 -1.920 15.697 22.338 1.00 62.33 H new ATOM 0 HE21 GLN A 22 0.837 15.449 23.467 1.00 1.33 H new ATOM 0 HE22 GLN A 22 0.622 14.448 24.907 1.00 1.33 H new ATOM 343 N SER A 23 -1.866 10.305 20.174 1.00 71.21 N ATOM 344 CA SER A 23 -2.598 9.028 20.015 1.00 74.45 C ATOM 345 C SER A 23 -4.093 9.226 19.697 1.00 63.15 C ATOM 346 O SER A 23 -4.930 8.392 20.046 1.00 13.24 O ATOM 347 CB SER A 23 -2.434 8.145 21.276 1.00 10.04 C ATOM 348 OG SER A 23 -3.048 8.713 22.432 1.00 34.43 O ATOM 0 H SER A 23 -1.043 10.383 19.577 1.00 71.21 H new ATOM 0 HA SER A 23 -2.155 8.523 19.157 1.00 74.45 H new ATOM 0 HB2 SER A 23 -2.867 7.163 21.085 1.00 10.04 H new ATOM 0 HB3 SER A 23 -1.373 7.992 21.472 1.00 10.04 H new ATOM 0 HG SER A 23 -3.496 9.550 22.187 1.00 34.43 H new ATOM 354 N ASN A 24 -4.431 10.319 19.017 1.00 63.55 N ATOM 355 CA ASN A 24 -5.827 10.585 18.635 1.00 71.04 C ATOM 356 C ASN A 24 -6.101 10.187 17.171 1.00 15.21 C ATOM 357 O ASN A 24 -5.200 10.192 16.327 1.00 32.22 O ATOM 358 CB ASN A 24 -6.190 12.055 18.879 1.00 70.40 C ATOM 359 CG ASN A 24 -5.201 13.018 18.257 1.00 33.35 C ATOM 360 OD1 ASN A 24 -5.312 13.375 17.094 1.00 33.23 O ATOM 361 ND2 ASN A 24 -4.234 13.463 19.032 1.00 54.32 N ATOM 0 H ASN A 24 -3.767 11.034 18.718 1.00 63.55 H new ATOM 0 HA ASN A 24 -6.463 9.966 19.267 1.00 71.04 H new ATOM 0 HB2 ASN A 24 -7.183 12.251 18.474 1.00 70.40 H new ATOM 0 HB3 ASN A 24 -6.241 12.238 19.952 1.00 70.40 H new ATOM 0 HD21 ASN A 24 -3.550 14.125 18.665 1.00 54.32 H new ATOM 0 HD22 ASN A 24 -4.169 13.146 19.999 1.00 54.32 H new ATOM 368 N ILE A 25 -7.358 9.854 16.883 1.00 4.14 N ATOM 369 CA ILE A 25 -7.750 9.300 15.581 1.00 62.44 C ATOM 370 C ILE A 25 -7.819 10.361 14.469 1.00 72.22 C ATOM 371 O ILE A 25 -8.639 11.279 14.515 1.00 64.24 O ATOM 372 CB ILE A 25 -9.126 8.583 15.667 1.00 64.43 C ATOM 373 CG1 ILE A 25 -9.065 7.409 16.657 1.00 24.14 C ATOM 374 CG2 ILE A 25 -9.578 8.096 14.286 1.00 34.13 C ATOM 375 CD1 ILE A 25 -8.117 6.305 16.234 1.00 64.15 C ATOM 0 H ILE A 25 -8.132 9.958 17.539 1.00 4.14 H new ATOM 0 HA ILE A 25 -6.968 8.586 15.322 1.00 62.44 H new ATOM 0 HB ILE A 25 -9.859 9.304 16.030 1.00 64.43 H new ATOM 0 HG12 ILE A 25 -8.759 7.784 17.634 1.00 24.14 H new ATOM 0 HG13 ILE A 25 -10.065 6.992 16.775 1.00 24.14 H new ATOM 0 HG21 ILE A 25 -10.543 7.598 14.374 1.00 34.13 H new ATOM 0 HG22 ILE A 25 -9.669 8.948 13.612 1.00 34.13 H new ATOM 0 HG23 ILE A 25 -8.843 7.396 13.889 1.00 34.13 H new ATOM 0 HD11 ILE A 25 -8.127 5.511 16.981 1.00 64.15 H new ATOM 0 HD12 ILE A 25 -8.434 5.902 15.272 1.00 64.15 H new ATOM 0 HD13 ILE A 25 -7.108 6.707 16.144 1.00 64.15 H new ATOM 387 N ARG A 26 -6.937 10.230 13.479 1.00 75.21 N ATOM 388 CA ARG A 26 -7.056 10.975 12.215 1.00 61.01 C ATOM 389 C ARG A 26 -7.431 10.020 11.070 1.00 2.22 C ATOM 390 O ARG A 26 -8.301 10.315 10.251 1.00 12.22 O ATOM 391 CB ARG A 26 -5.732 11.689 11.880 1.00 44.02 C ATOM 392 CG ARG A 26 -5.634 13.131 12.373 1.00 5.44 C ATOM 393 CD ARG A 26 -5.944 13.268 13.856 1.00 20.45 C ATOM 394 NE ARG A 26 -5.555 14.579 14.367 1.00 22.51 N ATOM 395 CZ ARG A 26 -6.383 15.515 14.738 1.00 30.43 C ATOM 396 NH1 ARG A 26 -7.660 15.377 14.580 1.00 70.25 N1+ ATOM 397 NH2 ARG A 26 -5.921 16.608 15.246 1.00 34.43 N ATOM 0 H ARG A 26 -6.126 9.613 13.524 1.00 75.21 H new ATOM 0 HA ARG A 26 -7.840 11.723 12.332 1.00 61.01 H new ATOM 0 HB2 ARG A 26 -4.909 11.117 12.310 1.00 44.02 H new ATOM 0 HB3 ARG A 26 -5.595 11.680 10.799 1.00 44.02 H new ATOM 0 HG2 ARG A 26 -4.630 13.509 12.180 1.00 5.44 H new ATOM 0 HG3 ARG A 26 -6.324 13.753 11.803 1.00 5.44 H new ATOM 0 HD2 ARG A 26 -7.010 13.114 14.021 1.00 20.45 H new ATOM 0 HD3 ARG A 26 -5.420 12.490 14.411 1.00 20.45 H new ATOM 0 HE ARG A 26 -4.557 14.778 14.439 1.00 22.51 H new ATOM 0 HH11 ARG A 26 -8.033 14.526 14.160 1.00 70.25 H new ATOM 0 HH12 ARG A 26 -8.294 16.119 14.876 1.00 70.25 H new ATOM 0 HH21 ARG A 26 -4.915 16.734 15.355 1.00 34.43 H new ATOM 0 HH22 ARG A 26 -6.562 17.345 15.539 1.00 34.43 H new ATOM 411 N ASN A 27 -6.771 8.862 11.034 1.00 20.44 N ATOM 412 CA ASN A 27 -7.013 7.851 9.997 1.00 4.15 C ATOM 413 C ASN A 27 -7.096 6.435 10.594 1.00 42.02 C ATOM 414 O ASN A 27 -6.076 5.774 10.798 1.00 53.31 O ATOM 415 CB ASN A 27 -5.911 7.916 8.930 1.00 20.13 C ATOM 416 CG ASN A 27 -5.995 9.181 8.095 1.00 34.12 C ATOM 417 OD1 ASN A 27 -6.639 9.207 7.055 1.00 44.24 O ATOM 418 ND2 ASN A 27 -5.350 10.239 8.541 1.00 11.44 N ATOM 0 H ASN A 27 -6.059 8.597 11.715 1.00 20.44 H new ATOM 0 HA ASN A 27 -7.975 8.071 9.534 1.00 4.15 H new ATOM 0 HB2 ASN A 27 -4.936 7.866 9.414 1.00 20.13 H new ATOM 0 HB3 ASN A 27 -5.988 7.046 8.277 1.00 20.13 H new ATOM 0 HD21 ASN A 27 -5.379 11.113 8.015 1.00 11.44 H new ATOM 0 HD22 ASN A 27 -4.822 10.185 9.412 1.00 11.44 H new ATOM 425 N MET A 28 -8.314 5.973 10.877 1.00 43.12 N ATOM 426 CA MET A 28 -8.518 4.633 11.439 1.00 65.13 C ATOM 427 C MET A 28 -8.058 3.546 10.456 1.00 74.11 C ATOM 428 O MET A 28 -7.509 2.521 10.859 1.00 62.24 O ATOM 429 CB MET A 28 -9.990 4.421 11.822 1.00 34.43 C ATOM 430 CG MET A 28 -10.267 3.066 12.473 1.00 45.10 C ATOM 431 SD MET A 28 -11.968 2.896 13.052 1.00 1.43 S ATOM 432 CE MET A 28 -12.044 4.207 14.273 1.00 64.53 C ATOM 0 H MET A 28 -9.173 6.503 10.728 1.00 43.12 H new ATOM 0 HA MET A 28 -7.911 4.554 12.341 1.00 65.13 H new ATOM 0 HB2 MET A 28 -10.296 5.212 12.507 1.00 34.43 H new ATOM 0 HB3 MET A 28 -10.606 4.517 10.928 1.00 34.43 H new ATOM 0 HG2 MET A 28 -10.052 2.274 11.756 1.00 45.10 H new ATOM 0 HG3 MET A 28 -9.587 2.927 13.314 1.00 45.10 H new ATOM 0 HE1 MET A 28 -12.837 3.992 14.989 1.00 64.53 H new ATOM 0 HE2 MET A 28 -11.090 4.272 14.797 1.00 64.53 H new ATOM 0 HE3 MET A 28 -12.251 5.155 13.776 1.00 64.53 H new ATOM 442 N VAL A 29 -8.279 3.782 9.165 1.00 71.25 N ATOM 443 CA VAL A 29 -7.812 2.863 8.120 1.00 63.14 C ATOM 444 C VAL A 29 -6.281 2.696 8.171 1.00 34.04 C ATOM 445 O VAL A 29 -5.753 1.598 7.969 1.00 13.23 O ATOM 446 CB VAL A 29 -8.233 3.347 6.707 1.00 34.12 C ATOM 447 CG1 VAL A 29 -7.664 4.737 6.405 1.00 42.40 C ATOM 448 CG2 VAL A 29 -7.810 2.334 5.641 1.00 21.41 C ATOM 0 H VAL A 29 -8.778 4.600 8.814 1.00 71.25 H new ATOM 0 HA VAL A 29 -8.282 1.898 8.312 1.00 63.14 H new ATOM 0 HB VAL A 29 -9.320 3.426 6.687 1.00 34.12 H new ATOM 0 HG11 VAL A 29 -7.976 5.049 5.408 1.00 42.40 H new ATOM 0 HG12 VAL A 29 -8.035 5.450 7.141 1.00 42.40 H new ATOM 0 HG13 VAL A 29 -6.575 4.702 6.450 1.00 42.40 H new ATOM 0 HG21 VAL A 29 -8.114 2.692 4.658 1.00 21.41 H new ATOM 0 HG22 VAL A 29 -6.727 2.213 5.664 1.00 21.41 H new ATOM 0 HG23 VAL A 29 -8.287 1.375 5.841 1.00 21.41 H new ATOM 458 N ALA A 30 -5.580 3.792 8.464 1.00 70.13 N ATOM 459 CA ALA A 30 -4.119 3.772 8.588 1.00 63.53 C ATOM 460 C ALA A 30 -3.680 2.989 9.834 1.00 64.13 C ATOM 461 O ALA A 30 -2.627 2.347 9.842 1.00 62.31 O ATOM 462 CB ALA A 30 -3.580 5.194 8.629 1.00 71.24 C ATOM 0 H ALA A 30 -6.000 4.708 8.621 1.00 70.13 H new ATOM 0 HA ALA A 30 -3.707 3.265 7.716 1.00 63.53 H new ATOM 0 HB1 ALA A 30 -2.494 5.169 8.721 1.00 71.24 H new ATOM 0 HB2 ALA A 30 -3.854 5.714 7.711 1.00 71.24 H new ATOM 0 HB3 ALA A 30 -4.005 5.720 9.484 1.00 71.24 H new ATOM 468 N VAL A 31 -4.491 3.062 10.890 1.00 43.11 N ATOM 469 CA VAL A 31 -4.294 2.236 12.087 1.00 13.11 C ATOM 470 C VAL A 31 -4.418 0.744 11.741 1.00 5.50 C ATOM 471 O VAL A 31 -3.574 -0.068 12.116 1.00 41.31 O ATOM 472 CB VAL A 31 -5.315 2.610 13.202 1.00 24.32 C ATOM 473 CG1 VAL A 31 -5.373 1.548 14.298 1.00 11.21 C ATOM 474 CG2 VAL A 31 -4.968 3.963 13.810 1.00 14.33 C ATOM 0 H VAL A 31 -5.295 3.687 10.943 1.00 43.11 H new ATOM 0 HA VAL A 31 -3.289 2.430 12.462 1.00 13.11 H new ATOM 0 HB VAL A 31 -6.299 2.665 12.736 1.00 24.32 H new ATOM 0 HG11 VAL A 31 -6.097 1.847 15.056 1.00 11.21 H new ATOM 0 HG12 VAL A 31 -5.674 0.594 13.865 1.00 11.21 H new ATOM 0 HG13 VAL A 31 -4.389 1.444 14.756 1.00 11.21 H new ATOM 0 HG21 VAL A 31 -5.691 4.209 14.587 1.00 14.33 H new ATOM 0 HG22 VAL A 31 -3.969 3.921 14.244 1.00 14.33 H new ATOM 0 HG23 VAL A 31 -4.995 4.728 13.034 1.00 14.33 H new ATOM 484 N LEU A 32 -5.459 0.395 10.991 1.00 42.02 N ATOM 485 CA LEU A 32 -5.671 -0.992 10.556 1.00 1.21 C ATOM 486 C LEU A 32 -4.440 -1.537 9.807 1.00 61.41 C ATOM 487 O LEU A 32 -4.127 -2.725 9.887 1.00 1.53 O ATOM 488 CB LEU A 32 -6.919 -1.077 9.665 1.00 1.33 C ATOM 489 CG LEU A 32 -8.227 -0.606 10.325 1.00 32.23 C ATOM 490 CD1 LEU A 32 -9.385 -0.655 9.333 1.00 11.24 C ATOM 491 CD2 LEU A 32 -8.539 -1.445 11.562 1.00 34.12 C ATOM 0 H LEU A 32 -6.172 1.050 10.669 1.00 42.02 H new ATOM 0 HA LEU A 32 -5.822 -1.608 11.443 1.00 1.21 H new ATOM 0 HB2 LEU A 32 -6.748 -0.481 8.769 1.00 1.33 H new ATOM 0 HB3 LEU A 32 -7.045 -2.110 9.341 1.00 1.33 H new ATOM 0 HG LEU A 32 -8.095 0.429 10.639 1.00 32.23 H new ATOM 0 HD11 LEU A 32 -10.298 -0.318 9.823 1.00 11.24 H new ATOM 0 HD12 LEU A 32 -9.166 -0.005 8.486 1.00 11.24 H new ATOM 0 HD13 LEU A 32 -9.519 -1.678 8.980 1.00 11.24 H new ATOM 0 HD21 LEU A 32 -9.468 -1.096 12.014 1.00 34.12 H new ATOM 0 HD22 LEU A 32 -8.646 -2.491 11.275 1.00 34.12 H new ATOM 0 HD23 LEU A 32 -7.726 -1.348 12.282 1.00 34.12 H new ATOM 503 N GLU A 33 -3.744 -0.655 9.092 1.00 33.20 N ATOM 504 CA GLU A 33 -2.508 -1.015 8.385 1.00 42.32 C ATOM 505 C GLU A 33 -1.421 -1.545 9.344 1.00 14.15 C ATOM 506 O GLU A 33 -0.806 -2.586 9.087 1.00 51.42 O ATOM 507 CB GLU A 33 -1.974 0.207 7.620 1.00 3.13 C ATOM 508 CG GLU A 33 -2.781 0.576 6.374 1.00 14.32 C ATOM 509 CD GLU A 33 -2.482 -0.327 5.183 1.00 12.23 C ATOM 510 OE1 GLU A 33 -1.618 0.042 4.356 1.00 72.51 O ATOM 511 OE2 GLU A 33 -3.099 -1.408 5.070 1.00 13.12 O1- ATOM 0 H GLU A 33 -4.015 0.323 8.984 1.00 33.20 H new ATOM 0 HA GLU A 33 -2.750 -1.817 7.688 1.00 42.32 H new ATOM 0 HB2 GLU A 33 -1.958 1.063 8.294 1.00 3.13 H new ATOM 0 HB3 GLU A 33 -0.943 0.014 7.326 1.00 3.13 H new ATOM 0 HG2 GLU A 33 -3.844 0.521 6.607 1.00 14.32 H new ATOM 0 HG3 GLU A 33 -2.567 1.610 6.102 1.00 14.32 H new ATOM 518 N VAL A 34 -1.182 -0.835 10.454 1.00 30.03 N ATOM 519 CA VAL A 34 -0.142 -1.248 11.409 1.00 63.43 C ATOM 520 C VAL A 34 -0.576 -2.486 12.216 1.00 74.24 C ATOM 521 O VAL A 34 0.214 -3.409 12.410 1.00 61.52 O ATOM 522 CB VAL A 34 0.284 -0.094 12.364 1.00 62.42 C ATOM 523 CG1 VAL A 34 -0.889 0.436 13.179 1.00 41.31 C ATOM 524 CG2 VAL A 34 1.425 -0.542 13.282 1.00 1.22 C ATOM 0 H VAL A 34 -1.684 0.014 10.712 1.00 30.03 H new ATOM 0 HA VAL A 34 0.731 -1.514 10.813 1.00 63.43 H new ATOM 0 HB VAL A 34 0.641 0.726 11.741 1.00 62.42 H new ATOM 0 HG11 VAL A 34 -0.546 1.239 13.831 1.00 41.31 H new ATOM 0 HG12 VAL A 34 -1.657 0.818 12.506 1.00 41.31 H new ATOM 0 HG13 VAL A 34 -1.305 -0.370 13.784 1.00 41.31 H new ATOM 0 HG21 VAL A 34 1.706 0.280 13.940 1.00 1.22 H new ATOM 0 HG22 VAL A 34 1.098 -1.391 13.882 1.00 1.22 H new ATOM 0 HG23 VAL A 34 2.284 -0.834 12.678 1.00 1.22 H new ATOM 534 N ILE A 35 -1.837 -2.518 12.657 1.00 51.15 N ATOM 535 CA ILE A 35 -2.380 -3.705 13.338 1.00 53.14 C ATOM 536 C ILE A 35 -2.255 -4.951 12.440 1.00 11.02 C ATOM 537 O ILE A 35 -1.783 -6.000 12.879 1.00 23.25 O ATOM 538 CB ILE A 35 -3.871 -3.511 13.764 1.00 0.53 C ATOM 539 CG1 ILE A 35 -3.988 -2.625 15.025 1.00 73.10 C ATOM 540 CG2 ILE A 35 -4.555 -4.859 14.010 1.00 24.42 C ATOM 541 CD1 ILE A 35 -3.502 -1.208 14.853 1.00 24.24 C ATOM 0 H ILE A 35 -2.497 -1.747 12.558 1.00 51.15 H new ATOM 0 HA ILE A 35 -1.790 -3.848 14.243 1.00 53.14 H new ATOM 0 HB ILE A 35 -4.376 -3.007 12.940 1.00 0.53 H new ATOM 0 HG12 ILE A 35 -5.032 -2.600 15.338 1.00 73.10 H new ATOM 0 HG13 ILE A 35 -3.424 -3.092 15.833 1.00 73.10 H new ATOM 0 HG21 ILE A 35 -5.591 -4.693 14.305 1.00 24.42 H new ATOM 0 HG22 ILE A 35 -4.529 -5.453 13.096 1.00 24.42 H new ATOM 0 HG23 ILE A 35 -4.033 -5.392 14.804 1.00 24.42 H new ATOM 0 HD11 ILE A 35 -3.624 -0.665 15.790 1.00 24.24 H new ATOM 0 HD12 ILE A 35 -2.449 -1.216 14.573 1.00 24.24 H new ATOM 0 HD13 ILE A 35 -4.081 -0.717 14.071 1.00 24.24 H new ATOM 553 N SER A 36 -2.650 -4.813 11.172 1.00 51.12 N ATOM 554 CA SER A 36 -2.581 -5.923 10.208 1.00 71.42 C ATOM 555 C SER A 36 -1.150 -6.454 10.053 1.00 75.22 C ATOM 556 O SER A 36 -0.944 -7.647 9.829 1.00 60.01 O ATOM 557 CB SER A 36 -3.117 -5.492 8.837 1.00 23.24 C ATOM 558 OG SER A 36 -3.121 -6.577 7.913 1.00 74.42 O ATOM 0 H SER A 36 -3.021 -3.945 10.785 1.00 51.12 H new ATOM 0 HA SER A 36 -3.205 -6.725 10.603 1.00 71.42 H new ATOM 0 HB2 SER A 36 -4.129 -5.103 8.947 1.00 23.24 H new ATOM 0 HB3 SER A 36 -2.504 -4.681 8.444 1.00 23.24 H new ATOM 0 HG SER A 36 -3.469 -6.270 7.050 1.00 74.42 H new ATOM 564 N SER A 37 -0.166 -5.561 10.153 1.00 22.35 N ATOM 565 CA SER A 37 1.251 -5.954 10.079 1.00 12.13 C ATOM 566 C SER A 37 1.618 -6.915 11.222 1.00 3.30 C ATOM 567 O SER A 37 2.258 -7.946 11.002 1.00 74.21 O ATOM 568 CB SER A 37 2.161 -4.715 10.130 1.00 35.50 C ATOM 569 OG SER A 37 1.900 -3.833 9.044 1.00 62.50 O ATOM 0 H SER A 37 -0.318 -4.561 10.285 1.00 22.35 H new ATOM 0 HA SER A 37 1.403 -6.468 9.130 1.00 12.13 H new ATOM 0 HB2 SER A 37 2.009 -4.189 11.072 1.00 35.50 H new ATOM 0 HB3 SER A 37 3.205 -5.027 10.104 1.00 35.50 H new ATOM 0 HG SER A 37 0.989 -3.480 9.121 1.00 62.50 H new ATOM 575 N LEU A 38 1.189 -6.576 12.438 1.00 4.32 N ATOM 576 CA LEU A 38 1.458 -7.405 13.623 1.00 70.10 C ATOM 577 C LEU A 38 0.695 -8.741 13.577 1.00 45.32 C ATOM 578 O LEU A 38 1.117 -9.725 14.188 1.00 65.04 O ATOM 579 CB LEU A 38 1.094 -6.645 14.911 1.00 30.11 C ATOM 580 CG LEU A 38 2.115 -5.590 15.389 1.00 44.14 C ATOM 581 CD1 LEU A 38 2.353 -4.519 14.328 1.00 72.42 C ATOM 582 CD2 LEU A 38 1.647 -4.953 16.697 1.00 34.42 C ATOM 0 H LEU A 38 0.652 -5.731 12.633 1.00 4.32 H new ATOM 0 HA LEU A 38 2.525 -7.626 13.621 1.00 70.10 H new ATOM 0 HB2 LEU A 38 0.135 -6.150 14.758 1.00 30.11 H new ATOM 0 HB3 LEU A 38 0.953 -7.373 15.710 1.00 30.11 H new ATOM 0 HG LEU A 38 3.063 -6.099 15.563 1.00 44.14 H new ATOM 0 HD11 LEU A 38 3.077 -3.794 14.699 1.00 72.42 H new ATOM 0 HD12 LEU A 38 2.738 -4.985 13.421 1.00 72.42 H new ATOM 0 HD13 LEU A 38 1.414 -4.013 14.105 1.00 72.42 H new ATOM 0 HD21 LEU A 38 2.377 -4.211 17.022 1.00 34.42 H new ATOM 0 HD22 LEU A 38 0.683 -4.469 16.542 1.00 34.42 H new ATOM 0 HD23 LEU A 38 1.548 -5.723 17.462 1.00 34.42 H new ATOM 594 N GLU A 39 -0.427 -8.768 12.857 1.00 15.41 N ATOM 595 CA GLU A 39 -1.264 -9.974 12.765 1.00 12.03 C ATOM 596 C GLU A 39 -0.494 -11.173 12.186 1.00 71.13 C ATOM 597 O GLU A 39 -0.633 -12.301 12.664 1.00 21.44 O ATOM 598 CB GLU A 39 -2.500 -9.696 11.895 1.00 54.54 C ATOM 599 CG GLU A 39 -3.477 -8.693 12.499 1.00 61.34 C ATOM 600 CD GLU A 39 -4.139 -9.215 13.763 1.00 62.32 C ATOM 601 OE1 GLU A 39 -5.041 -10.073 13.653 1.00 44.45 O ATOM 602 OE2 GLU A 39 -3.762 -8.784 14.868 1.00 3.31 O1- ATOM 0 H GLU A 39 -0.781 -7.971 12.328 1.00 15.41 H new ATOM 0 HA GLU A 39 -1.570 -10.229 13.780 1.00 12.03 H new ATOM 0 HB2 GLU A 39 -2.171 -9.326 10.924 1.00 54.54 H new ATOM 0 HB3 GLU A 39 -3.024 -10.635 11.718 1.00 54.54 H new ATOM 0 HG2 GLU A 39 -2.949 -7.767 12.725 1.00 61.34 H new ATOM 0 HG3 GLU A 39 -4.245 -8.451 11.764 1.00 61.34 H new ATOM 609 N LYS A 40 0.294 -10.941 11.137 1.00 0.13 N ATOM 610 CA LYS A 40 1.101 -12.016 10.542 1.00 0.33 C ATOM 611 C LYS A 40 2.571 -11.980 10.994 1.00 32.42 C ATOM 612 O LYS A 40 3.268 -12.994 10.924 1.00 45.54 O ATOM 613 CB LYS A 40 1.020 -11.966 9.008 1.00 60.12 C ATOM 614 CG LYS A 40 -0.354 -12.332 8.449 1.00 24.21 C ATOM 615 CD LYS A 40 -0.860 -13.652 9.027 1.00 4.25 C ATOM 616 CE LYS A 40 -2.078 -14.179 8.280 1.00 32.42 C ATOM 617 NZ LYS A 40 -1.722 -14.650 6.918 1.00 53.43 N1+ ATOM 0 H LYS A 40 0.394 -10.033 10.684 1.00 0.13 H new ATOM 0 HA LYS A 40 0.679 -12.955 10.899 1.00 0.33 H new ATOM 0 HB2 LYS A 40 1.283 -10.963 8.672 1.00 60.12 H new ATOM 0 HB3 LYS A 40 1.764 -12.646 8.592 1.00 60.12 H new ATOM 0 HG2 LYS A 40 -1.064 -11.537 8.678 1.00 24.21 H new ATOM 0 HG3 LYS A 40 -0.298 -12.407 7.363 1.00 24.21 H new ATOM 0 HD2 LYS A 40 -0.062 -14.394 8.986 1.00 4.25 H new ATOM 0 HD3 LYS A 40 -1.113 -13.513 10.078 1.00 4.25 H new ATOM 0 HE2 LYS A 40 -2.525 -14.998 8.844 1.00 32.42 H new ATOM 0 HE3 LYS A 40 -2.830 -13.393 8.209 1.00 32.42 H new ATOM 0 HZ1 LYS A 40 -2.506 -15.212 6.529 1.00 53.43 H new ATOM 0 HZ2 LYS A 40 -1.545 -13.831 6.303 1.00 53.43 H new ATOM 0 HZ3 LYS A 40 -0.866 -15.238 6.967 1.00 53.43 H new ATOM 631 N TYR A 41 3.045 -10.824 11.457 1.00 30.45 N ATOM 632 CA TYR A 41 4.441 -10.687 11.897 1.00 74.44 C ATOM 633 C TYR A 41 4.557 -9.859 13.186 1.00 71.03 C ATOM 634 O TYR A 41 4.557 -8.627 13.149 1.00 54.32 O ATOM 635 CB TYR A 41 5.301 -10.073 10.778 1.00 53.21 C ATOM 636 CG TYR A 41 5.425 -10.978 9.564 1.00 73.02 C ATOM 637 CD1 TYR A 41 4.673 -10.754 8.414 1.00 54.43 C ATOM 638 CD2 TYR A 41 6.284 -12.073 9.579 1.00 32.45 C ATOM 639 CE1 TYR A 41 4.771 -11.595 7.321 1.00 15.44 C ATOM 640 CE2 TYR A 41 6.389 -12.914 8.489 1.00 72.34 C ATOM 641 CZ TYR A 41 5.632 -12.672 7.363 1.00 64.42 C ATOM 642 OH TYR A 41 5.731 -13.514 6.277 1.00 40.43 O ATOM 0 H TYR A 41 2.491 -9.972 11.539 1.00 30.45 H new ATOM 0 HA TYR A 41 4.814 -11.687 12.119 1.00 74.44 H new ATOM 0 HB2 TYR A 41 4.866 -9.121 10.473 1.00 53.21 H new ATOM 0 HB3 TYR A 41 6.296 -9.858 11.168 1.00 53.21 H new ATOM 0 HD1 TYR A 41 4.002 -9.909 8.375 1.00 54.43 H new ATOM 0 HD2 TYR A 41 6.879 -12.268 10.459 1.00 32.45 H new ATOM 0 HE1 TYR A 41 4.176 -11.410 6.439 1.00 15.44 H new ATOM 0 HE2 TYR A 41 7.062 -13.758 8.519 1.00 72.34 H new ATOM 0 HH TYR A 41 6.382 -14.221 6.469 1.00 40.43 H new ATOM 652 N PRO A 42 4.655 -10.528 14.351 1.00 74.05 N ATOM 653 CA PRO A 42 4.784 -9.845 15.645 1.00 60.01 C ATOM 654 C PRO A 42 6.171 -9.205 15.844 1.00 60.13 C ATOM 655 O PRO A 42 7.204 -9.807 15.529 1.00 33.25 O ATOM 656 CB PRO A 42 4.549 -10.971 16.663 1.00 53.01 C ATOM 657 CG PRO A 42 4.977 -12.214 15.955 1.00 3.11 C ATOM 658 CD PRO A 42 4.644 -12.001 14.499 1.00 52.52 C ATOM 0 HA PRO A 42 4.084 -9.015 15.739 1.00 60.01 H new ATOM 0 HB2 PRO A 42 5.130 -10.812 17.571 1.00 53.01 H new ATOM 0 HB3 PRO A 42 3.502 -11.025 16.960 1.00 53.01 H new ATOM 0 HG2 PRO A 42 6.044 -12.391 16.089 1.00 3.11 H new ATOM 0 HG3 PRO A 42 4.457 -13.087 16.350 1.00 3.11 H new ATOM 0 HD2 PRO A 42 5.377 -12.475 13.847 1.00 52.52 H new ATOM 0 HD3 PRO A 42 3.671 -12.422 14.244 1.00 52.52 H new ATOM 666 N ILE A 43 6.185 -7.976 16.355 1.00 60.13 N ATOM 667 CA ILE A 43 7.433 -7.265 16.651 1.00 75.31 C ATOM 668 C ILE A 43 8.302 -8.049 17.653 1.00 11.41 C ATOM 669 O ILE A 43 7.794 -8.593 18.632 1.00 13.25 O ATOM 670 CB ILE A 43 7.136 -5.851 17.220 1.00 0.30 C ATOM 671 CG1 ILE A 43 6.337 -5.018 16.197 1.00 44.24 C ATOM 672 CG2 ILE A 43 8.429 -5.137 17.620 1.00 64.05 C ATOM 673 CD1 ILE A 43 5.889 -3.665 16.718 1.00 71.14 C ATOM 0 H ILE A 43 5.342 -7.446 16.575 1.00 60.13 H new ATOM 0 HA ILE A 43 7.983 -7.170 15.715 1.00 75.31 H new ATOM 0 HB ILE A 43 6.530 -5.963 18.119 1.00 0.30 H new ATOM 0 HG12 ILE A 43 6.949 -4.869 15.308 1.00 44.24 H new ATOM 0 HG13 ILE A 43 5.459 -5.586 15.888 1.00 44.24 H new ATOM 0 HG21 ILE A 43 8.192 -4.149 18.015 1.00 64.05 H new ATOM 0 HG22 ILE A 43 8.945 -5.719 18.384 1.00 64.05 H new ATOM 0 HG23 ILE A 43 9.073 -5.033 16.746 1.00 64.05 H new ATOM 0 HD11 ILE A 43 5.334 -3.141 15.940 1.00 71.14 H new ATOM 0 HD12 ILE A 43 5.249 -3.804 17.589 1.00 71.14 H new ATOM 0 HD13 ILE A 43 6.762 -3.076 17.000 1.00 71.14 H new ATOM 685 N THR A 44 9.606 -8.117 17.393 1.00 73.11 N ATOM 686 CA THR A 44 10.536 -8.809 18.297 1.00 64.22 C ATOM 687 C THR A 44 11.013 -7.861 19.410 1.00 21.21 C ATOM 688 O THR A 44 11.008 -6.642 19.236 1.00 70.30 O ATOM 689 CB THR A 44 11.766 -9.342 17.517 1.00 71.20 C ATOM 690 OG1 THR A 44 11.334 -10.065 16.354 1.00 13.10 O ATOM 691 CG2 THR A 44 12.624 -10.259 18.382 1.00 72.52 C ATOM 0 H THR A 44 10.045 -7.705 16.570 1.00 73.11 H new ATOM 0 HA THR A 44 10.004 -9.650 18.743 1.00 64.22 H new ATOM 0 HB THR A 44 12.367 -8.481 17.223 1.00 71.20 H new ATOM 0 HG1 THR A 44 12.116 -10.397 15.866 1.00 13.10 H new ATOM 0 HG21 THR A 44 13.476 -10.613 17.802 1.00 72.52 H new ATOM 0 HG22 THR A 44 12.981 -9.709 19.253 1.00 72.52 H new ATOM 0 HG23 THR A 44 12.029 -11.111 18.710 1.00 72.52 H new ATOM 699 N LYS A 45 11.461 -8.417 20.538 1.00 11.41 N ATOM 700 CA LYS A 45 11.869 -7.592 21.688 1.00 35.11 C ATOM 701 C LYS A 45 13.187 -6.824 21.445 1.00 65.21 C ATOM 702 O LYS A 45 13.415 -5.785 22.066 1.00 14.13 O ATOM 703 CB LYS A 45 11.910 -8.415 22.998 1.00 32.13 C ATOM 704 CG LYS A 45 12.216 -9.905 22.839 1.00 51.22 C ATOM 705 CD LYS A 45 13.637 -10.168 22.359 1.00 12.33 C ATOM 706 CE LYS A 45 13.951 -11.660 22.322 1.00 24.23 C ATOM 707 NZ LYS A 45 15.326 -11.923 21.825 1.00 74.14 N1+ ATOM 0 H LYS A 45 11.552 -9.422 20.684 1.00 11.41 H new ATOM 0 HA LYS A 45 11.098 -6.831 21.805 1.00 35.11 H new ATOM 0 HB2 LYS A 45 12.661 -7.978 23.656 1.00 32.13 H new ATOM 0 HB3 LYS A 45 10.948 -8.313 23.499 1.00 32.13 H new ATOM 0 HG2 LYS A 45 12.061 -10.407 23.794 1.00 51.22 H new ATOM 0 HG3 LYS A 45 11.512 -10.342 22.131 1.00 51.22 H new ATOM 0 HD2 LYS A 45 13.770 -9.743 21.364 1.00 12.33 H new ATOM 0 HD3 LYS A 45 14.343 -9.663 23.018 1.00 12.33 H new ATOM 0 HE2 LYS A 45 13.840 -12.080 23.322 1.00 24.23 H new ATOM 0 HE3 LYS A 45 13.230 -12.167 21.681 1.00 24.23 H new ATOM 0 HZ1 LYS A 45 15.640 -12.860 22.151 1.00 74.14 H new ATOM 0 HZ2 LYS A 45 15.330 -11.899 20.785 1.00 74.14 H new ATOM 0 HZ3 LYS A 45 15.972 -11.195 22.191 1.00 74.14 H new ATOM 721 N GLU A 46 14.052 -7.320 20.550 1.00 4.04 N ATOM 722 CA GLU A 46 15.220 -6.531 20.105 1.00 22.13 C ATOM 723 C GLU A 46 14.765 -5.191 19.499 1.00 33.43 C ATOM 724 O GLU A 46 15.285 -4.124 19.835 1.00 23.02 O ATOM 725 CB GLU A 46 16.051 -7.300 19.059 1.00 60.21 C ATOM 726 CG GLU A 46 17.060 -8.296 19.633 1.00 70.33 C ATOM 727 CD GLU A 46 16.419 -9.457 20.367 1.00 63.02 C ATOM 728 OE1 GLU A 46 15.645 -10.211 19.736 1.00 12.01 O ATOM 729 OE2 GLU A 46 16.696 -9.632 21.574 1.00 22.24 O1- ATOM 0 H GLU A 46 13.973 -8.244 20.124 1.00 4.04 H new ATOM 0 HA GLU A 46 15.841 -6.347 20.981 1.00 22.13 H new ATOM 0 HB2 GLU A 46 15.369 -7.837 18.400 1.00 60.21 H new ATOM 0 HB3 GLU A 46 16.587 -6.578 18.443 1.00 60.21 H new ATOM 0 HG2 GLU A 46 17.675 -8.685 18.822 1.00 70.33 H new ATOM 0 HG3 GLU A 46 17.728 -7.771 20.315 1.00 70.33 H new ATOM 736 N ALA A 47 13.773 -5.266 18.616 1.00 62.42 N ATOM 737 CA ALA A 47 13.215 -4.087 17.944 1.00 12.04 C ATOM 738 C ALA A 47 12.485 -3.154 18.917 1.00 64.52 C ATOM 739 O ALA A 47 12.491 -1.934 18.742 1.00 31.13 O ATOM 740 CB ALA A 47 12.270 -4.522 16.830 1.00 70.45 C ATOM 0 H ALA A 47 13.331 -6.144 18.343 1.00 62.42 H new ATOM 0 HA ALA A 47 14.050 -3.527 17.522 1.00 12.04 H new ATOM 0 HB1 ALA A 47 11.860 -3.641 16.336 1.00 70.45 H new ATOM 0 HB2 ALA A 47 12.816 -5.124 16.104 1.00 70.45 H new ATOM 0 HB3 ALA A 47 11.457 -5.113 17.252 1.00 70.45 H new ATOM 746 N LEU A 48 11.870 -3.736 19.945 1.00 12.32 N ATOM 747 CA LEU A 48 10.990 -2.990 20.853 1.00 3.31 C ATOM 748 C LEU A 48 11.713 -1.799 21.511 1.00 0.44 C ATOM 749 O LEU A 48 11.183 -0.688 21.557 1.00 22.31 O ATOM 750 CB LEU A 48 10.474 -3.937 21.948 1.00 12.15 C ATOM 751 CG LEU A 48 9.359 -3.373 22.846 1.00 14.41 C ATOM 752 CD1 LEU A 48 8.035 -3.320 22.090 1.00 14.15 C ATOM 753 CD2 LEU A 48 9.226 -4.195 24.128 1.00 4.53 C ATOM 0 H LEU A 48 11.963 -4.726 20.173 1.00 12.32 H new ATOM 0 HA LEU A 48 10.163 -2.593 20.265 1.00 3.31 H new ATOM 0 HB2 LEU A 48 10.107 -4.847 21.473 1.00 12.15 H new ATOM 0 HB3 LEU A 48 11.314 -4.224 22.580 1.00 12.15 H new ATOM 0 HG LEU A 48 9.629 -2.355 23.128 1.00 14.41 H new ATOM 0 HD11 LEU A 48 7.259 -2.918 22.742 1.00 14.15 H new ATOM 0 HD12 LEU A 48 8.141 -2.679 21.215 1.00 14.15 H new ATOM 0 HD13 LEU A 48 7.757 -4.325 21.772 1.00 14.15 H new ATOM 0 HD21 LEU A 48 8.432 -3.778 24.747 1.00 4.53 H new ATOM 0 HD22 LEU A 48 8.984 -5.227 23.875 1.00 4.53 H new ATOM 0 HD23 LEU A 48 10.167 -4.167 24.677 1.00 4.53 H new ATOM 765 N GLU A 49 12.916 -2.034 22.026 1.00 13.41 N ATOM 766 CA GLU A 49 13.739 -0.962 22.601 1.00 55.43 C ATOM 767 C GLU A 49 14.366 -0.052 21.529 1.00 65.21 C ATOM 768 O GLU A 49 14.339 1.174 21.652 1.00 2.04 O ATOM 769 CB GLU A 49 14.824 -1.550 23.514 1.00 54.13 C ATOM 770 CG GLU A 49 14.303 -1.962 24.888 1.00 51.42 C ATOM 771 CD GLU A 49 13.777 -0.775 25.686 1.00 2.11 C ATOM 772 OE1 GLU A 49 12.554 -0.520 25.659 1.00 34.00 O ATOM 773 OE2 GLU A 49 14.594 -0.078 26.325 1.00 70.23 O1- ATOM 0 H GLU A 49 13.348 -2.957 22.059 1.00 13.41 H new ATOM 0 HA GLU A 49 13.073 -0.335 23.194 1.00 55.43 H new ATOM 0 HB2 GLU A 49 15.267 -2.418 23.026 1.00 54.13 H new ATOM 0 HB3 GLU A 49 15.619 -0.815 23.641 1.00 54.13 H new ATOM 0 HG2 GLU A 49 13.507 -2.697 24.767 1.00 51.42 H new ATOM 0 HG3 GLU A 49 15.103 -2.447 25.447 1.00 51.42 H new ATOM 780 N GLU A 50 14.911 -0.657 20.477 1.00 50.22 N ATOM 781 CA GLU A 50 15.694 0.074 19.468 1.00 1.22 C ATOM 782 C GLU A 50 14.889 1.200 18.793 1.00 3.53 C ATOM 783 O GLU A 50 15.322 2.355 18.760 1.00 52.42 O ATOM 784 CB GLU A 50 16.215 -0.903 18.408 1.00 14.33 C ATOM 785 CG GLU A 50 17.117 -0.256 17.361 1.00 44.05 C ATOM 786 CD GLU A 50 17.709 -1.269 16.397 1.00 73.11 C ATOM 787 OE1 GLU A 50 17.334 -1.263 15.209 1.00 33.03 O ATOM 788 OE2 GLU A 50 18.547 -2.085 16.835 1.00 3.11 O1- ATOM 0 H GLU A 50 14.828 -1.657 20.295 1.00 50.22 H new ATOM 0 HA GLU A 50 16.529 0.545 19.987 1.00 1.22 H new ATOM 0 HB2 GLU A 50 16.766 -1.702 18.904 1.00 14.33 H new ATOM 0 HB3 GLU A 50 15.366 -1.366 17.906 1.00 14.33 H new ATOM 0 HG2 GLU A 50 16.545 0.483 16.800 1.00 44.05 H new ATOM 0 HG3 GLU A 50 17.924 0.279 17.862 1.00 44.05 H new ATOM 795 N THR A 51 13.723 0.864 18.255 1.00 33.13 N ATOM 796 CA THR A 51 12.844 1.861 17.626 1.00 4.51 C ATOM 797 C THR A 51 11.756 2.350 18.591 1.00 64.41 C ATOM 798 O THR A 51 10.817 3.031 18.181 1.00 0.43 O ATOM 799 CB THR A 51 12.190 1.322 16.327 1.00 33.25 C ATOM 800 OG1 THR A 51 11.879 -0.072 16.465 1.00 13.22 O ATOM 801 CG2 THR A 51 13.101 1.531 15.120 1.00 0.05 C ATOM 0 H THR A 51 13.358 -0.088 18.238 1.00 33.13 H new ATOM 0 HA THR A 51 13.481 2.706 17.364 1.00 4.51 H new ATOM 0 HB THR A 51 11.269 1.881 16.163 1.00 33.25 H new ATOM 0 HG1 THR A 51 12.523 -0.603 15.952 1.00 13.22 H new ATOM 0 HG21 THR A 51 12.614 1.143 14.225 1.00 0.05 H new ATOM 0 HG22 THR A 51 13.298 2.595 14.993 1.00 0.05 H new ATOM 0 HG23 THR A 51 14.042 1.004 15.279 1.00 0.05 H new ATOM 809 N ARG A 52 11.890 1.989 19.871 1.00 3.23 N ATOM 810 CA ARG A 52 10.961 2.435 20.924 1.00 21.52 C ATOM 811 C ARG A 52 9.516 2.000 20.634 1.00 24.34 C ATOM 812 O ARG A 52 8.558 2.711 20.944 1.00 72.55 O ATOM 813 CB ARG A 52 11.034 3.962 21.094 1.00 11.52 C ATOM 814 CG ARG A 52 12.429 4.483 21.455 1.00 42.00 C ATOM 815 CD ARG A 52 12.390 5.444 22.639 1.00 52.42 C ATOM 816 NE ARG A 52 11.919 4.782 23.855 1.00 1.31 N ATOM 817 CZ ARG A 52 11.062 5.292 24.693 1.00 31.01 C ATOM 818 NH1 ARG A 52 10.558 6.466 24.500 1.00 22.33 N1+ ATOM 819 NH2 ARG A 52 10.714 4.620 25.736 1.00 30.20 N ATOM 0 H ARG A 52 12.638 1.384 20.209 1.00 3.23 H new ATOM 0 HA ARG A 52 11.269 1.958 21.854 1.00 21.52 H new ATOM 0 HB2 ARG A 52 10.709 4.436 20.168 1.00 11.52 H new ATOM 0 HB3 ARG A 52 10.332 4.265 21.871 1.00 11.52 H new ATOM 0 HG2 ARG A 52 13.080 3.642 21.692 1.00 42.00 H new ATOM 0 HG3 ARG A 52 12.862 4.988 20.592 1.00 42.00 H new ATOM 0 HD2 ARG A 52 13.386 5.853 22.809 1.00 52.42 H new ATOM 0 HD3 ARG A 52 11.736 6.284 22.405 1.00 52.42 H new ATOM 0 HE ARG A 52 12.288 3.854 24.062 1.00 1.31 H new ATOM 0 HH11 ARG A 52 10.830 7.009 23.681 1.00 22.33 H new ATOM 0 HH12 ARG A 52 9.888 6.849 25.167 1.00 22.33 H new ATOM 0 HH21 ARG A 52 11.109 3.694 25.902 1.00 30.20 H new ATOM 0 HH22 ARG A 52 10.043 5.014 26.396 1.00 30.20 H new ATOM 833 N LEU A 53 9.369 0.804 20.079 1.00 42.22 N ATOM 834 CA LEU A 53 8.050 0.269 19.722 1.00 32.04 C ATOM 835 C LEU A 53 7.208 -0.076 20.966 1.00 71.23 C ATOM 836 O LEU A 53 6.036 -0.429 20.854 1.00 43.43 O ATOM 837 CB LEU A 53 8.221 -0.955 18.810 1.00 72.32 C ATOM 838 CG LEU A 53 8.909 -0.655 17.464 1.00 11.23 C ATOM 839 CD1 LEU A 53 9.159 -1.934 16.671 1.00 34.31 C ATOM 840 CD2 LEU A 53 8.075 0.331 16.646 1.00 23.23 C ATOM 0 H LEU A 53 10.146 0.180 19.863 1.00 42.22 H new ATOM 0 HA LEU A 53 7.503 1.043 19.183 1.00 32.04 H new ATOM 0 HB2 LEU A 53 8.801 -1.710 19.340 1.00 72.32 H new ATOM 0 HB3 LEU A 53 7.240 -1.387 18.614 1.00 72.32 H new ATOM 0 HG LEU A 53 9.877 -0.201 17.676 1.00 11.23 H new ATOM 0 HD11 LEU A 53 9.645 -1.688 15.727 1.00 34.31 H new ATOM 0 HD12 LEU A 53 9.801 -2.600 17.247 1.00 34.31 H new ATOM 0 HD13 LEU A 53 8.209 -2.430 16.471 1.00 34.31 H new ATOM 0 HD21 LEU A 53 8.575 0.532 15.699 1.00 23.23 H new ATOM 0 HD22 LEU A 53 7.091 -0.097 16.453 1.00 23.23 H new ATOM 0 HD23 LEU A 53 7.963 1.262 17.202 1.00 23.23 H new ATOM 852 N GLY A 54 7.811 0.033 22.150 1.00 62.24 N ATOM 853 CA GLY A 54 7.064 -0.134 23.396 1.00 4.13 C ATOM 854 C GLY A 54 5.970 0.916 23.563 1.00 11.21 C ATOM 855 O GLY A 54 4.913 0.645 24.136 1.00 61.12 O ATOM 0 H GLY A 54 8.804 0.234 22.272 1.00 62.24 H new ATOM 0 HA2 GLY A 54 6.617 -1.128 23.418 1.00 4.13 H new ATOM 0 HA3 GLY A 54 7.752 -0.076 24.240 1.00 4.13 H new ATOM 859 N LYS A 55 6.225 2.117 23.050 1.00 70.32 N ATOM 860 CA LYS A 55 5.241 3.206 23.063 1.00 61.33 C ATOM 861 C LYS A 55 3.944 2.776 22.346 1.00 5.04 C ATOM 862 O LYS A 55 2.842 3.179 22.727 1.00 54.51 O ATOM 863 CB LYS A 55 5.848 4.447 22.387 1.00 64.21 C ATOM 864 CG LYS A 55 5.005 5.715 22.521 1.00 24.14 C ATOM 865 CD LYS A 55 5.739 6.947 21.988 1.00 54.44 C ATOM 866 CE LYS A 55 4.974 8.235 22.285 1.00 33.01 C ATOM 867 NZ LYS A 55 5.741 9.446 21.887 1.00 52.23 N1+ ATOM 0 H LYS A 55 7.113 2.366 22.615 1.00 70.32 H new ATOM 0 HA LYS A 55 4.987 3.448 24.095 1.00 61.33 H new ATOM 0 HB2 LYS A 55 6.833 4.633 22.815 1.00 64.21 H new ATOM 0 HB3 LYS A 55 5.995 4.233 21.328 1.00 64.21 H new ATOM 0 HG2 LYS A 55 4.068 5.587 21.978 1.00 24.14 H new ATOM 0 HG3 LYS A 55 4.748 5.871 23.569 1.00 24.14 H new ATOM 0 HD2 LYS A 55 6.731 7.002 22.437 1.00 54.44 H new ATOM 0 HD3 LYS A 55 5.881 6.848 20.912 1.00 54.44 H new ATOM 0 HE2 LYS A 55 4.021 8.220 21.756 1.00 33.01 H new ATOM 0 HE3 LYS A 55 4.747 8.284 23.350 1.00 33.01 H new ATOM 0 HZ1 LYS A 55 5.185 10.297 22.106 1.00 52.23 H new ATOM 0 HZ2 LYS A 55 6.639 9.475 22.410 1.00 52.23 H new ATOM 0 HZ3 LYS A 55 5.936 9.414 20.866 1.00 52.23 H new ATOM 881 N LEU A 56 4.102 1.939 21.317 1.00 3.24 N ATOM 882 CA LEU A 56 2.977 1.383 20.546 1.00 54.41 C ATOM 883 C LEU A 56 1.981 0.626 21.451 1.00 31.41 C ATOM 884 O LEU A 56 0.777 0.627 21.192 1.00 21.35 O ATOM 885 CB LEU A 56 3.523 0.464 19.428 1.00 13.02 C ATOM 886 CG LEU A 56 2.515 -0.006 18.352 1.00 24.43 C ATOM 887 CD1 LEU A 56 3.246 -0.372 17.059 1.00 2.44 C ATOM 888 CD2 LEU A 56 1.692 -1.202 18.839 1.00 54.51 C ATOM 0 H LEU A 56 5.016 1.624 20.991 1.00 3.24 H new ATOM 0 HA LEU A 56 2.426 2.208 20.094 1.00 54.41 H new ATOM 0 HB2 LEU A 56 4.336 0.988 18.925 1.00 13.02 H new ATOM 0 HB3 LEU A 56 3.955 -0.420 19.897 1.00 13.02 H new ATOM 0 HG LEU A 56 1.832 0.821 18.158 1.00 24.43 H new ATOM 0 HD11 LEU A 56 2.523 -0.701 16.313 1.00 2.44 H new ATOM 0 HD12 LEU A 56 3.783 0.500 16.685 1.00 2.44 H new ATOM 0 HD13 LEU A 56 3.954 -1.177 17.257 1.00 2.44 H new ATOM 0 HD21 LEU A 56 0.995 -1.506 18.058 1.00 54.51 H new ATOM 0 HD22 LEU A 56 2.359 -2.032 19.073 1.00 54.51 H new ATOM 0 HD23 LEU A 56 1.136 -0.921 19.733 1.00 54.51 H new ATOM 900 N ILE A 57 2.484 0.006 22.524 1.00 74.51 N ATOM 901 CA ILE A 57 1.646 -0.810 23.421 1.00 14.22 C ATOM 902 C ILE A 57 0.461 0.000 23.973 1.00 32.42 C ATOM 903 O ILE A 57 -0.676 -0.476 23.996 1.00 10.34 O ATOM 904 CB ILE A 57 2.480 -1.344 24.618 1.00 22.03 C ATOM 905 CG1 ILE A 57 3.636 -2.225 24.122 1.00 20.14 C ATOM 906 CG2 ILE A 57 1.600 -2.112 25.602 1.00 51.33 C ATOM 907 CD1 ILE A 57 4.535 -2.742 25.228 1.00 14.32 C ATOM 0 H ILE A 57 3.466 0.051 22.796 1.00 74.51 H new ATOM 0 HA ILE A 57 1.267 -1.644 22.831 1.00 14.22 H new ATOM 0 HB ILE A 57 2.901 -0.487 25.143 1.00 22.03 H new ATOM 0 HG12 ILE A 57 3.224 -3.074 23.576 1.00 20.14 H new ATOM 0 HG13 ILE A 57 4.238 -1.653 23.416 1.00 20.14 H new ATOM 0 HG21 ILE A 57 2.210 -2.474 26.430 1.00 51.33 H new ATOM 0 HG22 ILE A 57 0.822 -1.452 25.986 1.00 51.33 H new ATOM 0 HG23 ILE A 57 1.139 -2.959 25.093 1.00 51.33 H new ATOM 0 HD11 ILE A 57 5.326 -3.355 24.797 1.00 14.32 H new ATOM 0 HD12 ILE A 57 4.978 -1.900 25.760 1.00 14.32 H new ATOM 0 HD13 ILE A 57 3.948 -3.343 25.923 1.00 14.32 H new ATOM 919 N ASN A 58 0.736 1.228 24.403 1.00 43.45 N ATOM 920 CA ASN A 58 -0.315 2.149 24.847 1.00 4.34 C ATOM 921 C ASN A 58 -1.324 2.435 23.725 1.00 24.32 C ATOM 922 O ASN A 58 -2.538 2.415 23.941 1.00 42.11 O ATOM 923 CB ASN A 58 0.318 3.465 25.322 1.00 32.33 C ATOM 924 CG ASN A 58 -0.696 4.584 25.510 1.00 30.24 C ATOM 925 OD1 ASN A 58 -1.275 4.751 26.579 1.00 53.41 O ATOM 926 ND2 ASN A 58 -0.919 5.359 24.465 1.00 74.34 N ATOM 0 H ASN A 58 1.679 1.613 24.455 1.00 43.45 H new ATOM 0 HA ASN A 58 -0.852 1.677 25.670 1.00 4.34 H new ATOM 0 HB2 ASN A 58 0.837 3.292 26.265 1.00 32.33 H new ATOM 0 HB3 ASN A 58 1.069 3.782 24.598 1.00 32.33 H new ATOM 0 HD21 ASN A 58 -1.590 6.124 24.532 1.00 74.34 H new ATOM 0 HD22 ASN A 58 -0.420 5.193 23.591 1.00 74.34 H new ATOM 933 N ASP A 59 -0.810 2.689 22.527 1.00 45.30 N ATOM 934 CA ASP A 59 -1.640 3.158 21.423 1.00 24.23 C ATOM 935 C ASP A 59 -2.590 2.064 20.896 1.00 35.33 C ATOM 936 O ASP A 59 -3.780 2.312 20.715 1.00 75.44 O ATOM 937 CB ASP A 59 -0.741 3.670 20.298 1.00 54.14 C ATOM 938 CG ASP A 59 -1.527 4.434 19.257 1.00 40.52 C ATOM 939 OD1 ASP A 59 -1.815 3.866 18.186 1.00 14.41 O ATOM 940 OD2 ASP A 59 -1.881 5.601 19.529 1.00 42.11 O1- ATOM 0 H ASP A 59 0.177 2.578 22.295 1.00 45.30 H new ATOM 0 HA ASP A 59 -2.269 3.967 21.796 1.00 24.23 H new ATOM 0 HB2 ASP A 59 0.033 4.315 20.715 1.00 54.14 H new ATOM 0 HB3 ASP A 59 -0.234 2.828 19.826 1.00 54.14 H new ATOM 945 N VAL A 60 -2.078 0.845 20.704 1.00 55.40 N ATOM 946 CA VAL A 60 -2.898 -0.268 20.201 1.00 21.15 C ATOM 947 C VAL A 60 -3.970 -0.679 21.225 1.00 54.44 C ATOM 948 O VAL A 60 -5.103 -1.007 20.866 1.00 23.22 O ATOM 949 CB VAL A 60 -2.023 -1.498 19.831 1.00 12.41 C ATOM 950 CG1 VAL A 60 -1.285 -2.047 21.054 1.00 11.24 C ATOM 951 CG2 VAL A 60 -2.866 -2.587 19.165 1.00 2.33 C ATOM 0 H VAL A 60 -1.105 0.601 20.887 1.00 55.40 H new ATOM 0 HA VAL A 60 -3.395 0.086 19.298 1.00 21.15 H new ATOM 0 HB VAL A 60 -1.271 -1.166 19.115 1.00 12.41 H new ATOM 0 HG11 VAL A 60 -0.683 -2.906 20.760 1.00 11.24 H new ATOM 0 HG12 VAL A 60 -0.637 -1.273 21.465 1.00 11.24 H new ATOM 0 HG13 VAL A 60 -2.009 -2.353 21.809 1.00 11.24 H new ATOM 0 HG21 VAL A 60 -2.231 -3.437 18.916 1.00 2.33 H new ATOM 0 HG22 VAL A 60 -3.651 -2.909 19.849 1.00 2.33 H new ATOM 0 HG23 VAL A 60 -3.317 -2.192 18.255 1.00 2.33 H new ATOM 961 N ARG A 61 -3.604 -0.640 22.503 1.00 32.32 N ATOM 962 CA ARG A 61 -4.526 -0.963 23.594 1.00 42.11 C ATOM 963 C ARG A 61 -5.738 -0.011 23.595 1.00 61.43 C ATOM 964 O ARG A 61 -6.869 -0.421 23.866 1.00 74.35 O ATOM 965 CB ARG A 61 -3.770 -0.883 24.929 1.00 34.12 C ATOM 966 CG ARG A 61 -4.605 -1.230 26.157 1.00 71.31 C ATOM 967 CD ARG A 61 -3.748 -1.245 27.421 1.00 52.04 C ATOM 968 NE ARG A 61 -4.536 -1.520 28.622 1.00 63.30 N ATOM 969 CZ ARG A 61 -4.088 -2.156 29.671 1.00 20.42 C ATOM 970 NH1 ARG A 61 -2.881 -2.619 29.701 1.00 75.43 N1+ ATOM 971 NH2 ARG A 61 -4.859 -2.327 30.694 1.00 42.10 N ATOM 0 H ARG A 61 -2.666 -0.386 22.813 1.00 32.32 H new ATOM 0 HA ARG A 61 -4.907 -1.974 23.452 1.00 42.11 H new ATOM 0 HB2 ARG A 61 -2.914 -1.556 24.887 1.00 34.12 H new ATOM 0 HB3 ARG A 61 -3.376 0.126 25.048 1.00 34.12 H new ATOM 0 HG2 ARG A 61 -5.411 -0.504 26.269 1.00 71.31 H new ATOM 0 HG3 ARG A 61 -5.072 -2.205 26.019 1.00 71.31 H new ATOM 0 HD2 ARG A 61 -2.968 -2.000 27.320 1.00 52.04 H new ATOM 0 HD3 ARG A 61 -3.248 -0.283 27.530 1.00 52.04 H new ATOM 0 HE ARG A 61 -5.502 -1.193 28.642 1.00 63.30 H new ATOM 0 HH11 ARG A 61 -2.265 -2.489 28.898 1.00 75.43 H new ATOM 0 HH12 ARG A 61 -2.545 -3.114 30.527 1.00 75.43 H new ATOM 0 HH21 ARG A 61 -5.813 -1.966 30.680 1.00 42.10 H new ATOM 0 HH22 ARG A 61 -4.514 -2.823 31.516 1.00 42.10 H new ATOM 985 N LYS A 62 -5.490 1.261 23.284 1.00 11.44 N ATOM 986 CA LYS A 62 -6.552 2.276 23.232 1.00 61.21 C ATOM 987 C LYS A 62 -7.230 2.347 21.847 1.00 11.54 C ATOM 988 O LYS A 62 -8.432 2.607 21.751 1.00 34.32 O ATOM 989 CB LYS A 62 -5.976 3.651 23.604 1.00 53.52 C ATOM 990 CG LYS A 62 -5.445 3.728 25.034 1.00 42.21 C ATOM 991 CD LYS A 62 -4.791 5.076 25.326 1.00 54.13 C ATOM 992 CE LYS A 62 -4.303 5.164 26.767 1.00 12.13 C ATOM 993 NZ LYS A 62 -3.569 6.430 27.028 1.00 73.21 N1+ ATOM 0 H LYS A 62 -4.560 1.618 23.063 1.00 11.44 H new ATOM 0 HA LYS A 62 -7.317 1.985 23.952 1.00 61.21 H new ATOM 0 HB2 LYS A 62 -5.170 3.896 22.913 1.00 53.52 H new ATOM 0 HB3 LYS A 62 -6.750 4.407 23.472 1.00 53.52 H new ATOM 0 HG2 LYS A 62 -6.263 3.562 25.735 1.00 42.21 H new ATOM 0 HG3 LYS A 62 -4.720 2.930 25.196 1.00 42.21 H new ATOM 0 HD2 LYS A 62 -3.952 5.228 24.647 1.00 54.13 H new ATOM 0 HD3 LYS A 62 -5.505 5.877 25.134 1.00 54.13 H new ATOM 0 HE2 LYS A 62 -5.155 5.092 27.444 1.00 12.13 H new ATOM 0 HE3 LYS A 62 -3.652 4.316 26.982 1.00 12.13 H new ATOM 0 HZ1 LYS A 62 -3.802 6.776 27.981 1.00 73.21 H new ATOM 0 HZ2 LYS A 62 -2.545 6.258 26.963 1.00 73.21 H new ATOM 0 HZ3 LYS A 62 -3.846 7.143 26.323 1.00 73.21 H new ATOM 1007 N LYS A 63 -6.462 2.120 20.780 1.00 4.22 N ATOM 1008 CA LYS A 63 -6.975 2.242 19.401 1.00 44.44 C ATOM 1009 C LYS A 63 -7.515 0.916 18.846 1.00 2.55 C ATOM 1010 O LYS A 63 -7.794 0.811 17.651 1.00 25.32 O ATOM 1011 CB LYS A 63 -5.884 2.792 18.457 1.00 61.54 C ATOM 1012 CG LYS A 63 -6.057 4.271 18.088 1.00 71.04 C ATOM 1013 CD LYS A 63 -4.913 5.140 18.601 1.00 42.23 C ATOM 1014 CE LYS A 63 -4.932 5.284 20.119 1.00 33.11 C ATOM 1015 NZ LYS A 63 -6.084 6.101 20.580 1.00 23.24 N1+ ATOM 0 H LYS A 63 -5.480 1.850 20.837 1.00 4.22 H new ATOM 0 HA LYS A 63 -7.809 2.942 19.447 1.00 44.44 H new ATOM 0 HB2 LYS A 63 -4.911 2.659 18.929 1.00 61.54 H new ATOM 0 HB3 LYS A 63 -5.879 2.199 17.542 1.00 61.54 H new ATOM 0 HG2 LYS A 63 -6.123 4.366 17.004 1.00 71.04 H new ATOM 0 HG3 LYS A 63 -6.998 4.637 18.498 1.00 71.04 H new ATOM 0 HD2 LYS A 63 -3.962 4.706 18.291 1.00 42.23 H new ATOM 0 HD3 LYS A 63 -4.976 6.127 18.144 1.00 42.23 H new ATOM 0 HE2 LYS A 63 -4.980 4.296 20.577 1.00 33.11 H new ATOM 0 HE3 LYS A 63 -4.002 5.745 20.452 1.00 33.11 H new ATOM 0 HZ1 LYS A 63 -6.142 6.065 21.618 1.00 23.24 H new ATOM 0 HZ2 LYS A 63 -5.955 7.087 20.275 1.00 23.24 H new ATOM 0 HZ3 LYS A 63 -6.963 5.724 20.171 1.00 23.24 H new ATOM 1029 N THR A 64 -7.673 -0.087 19.702 1.00 33.11 N ATOM 1030 CA THR A 64 -8.254 -1.366 19.269 1.00 73.20 C ATOM 1031 C THR A 64 -9.708 -1.178 18.810 1.00 33.32 C ATOM 1032 O THR A 64 -10.478 -0.444 19.440 1.00 13.23 O ATOM 1033 CB THR A 64 -8.218 -2.436 20.389 1.00 44.21 C ATOM 1034 OG1 THR A 64 -8.871 -3.638 19.950 1.00 71.42 O ATOM 1035 CG2 THR A 64 -8.889 -1.931 21.663 1.00 23.51 C ATOM 0 H THR A 64 -7.413 -0.048 20.688 1.00 33.11 H new ATOM 0 HA THR A 64 -7.643 -1.715 18.437 1.00 73.20 H new ATOM 0 HB THR A 64 -7.172 -2.647 20.610 1.00 44.21 H new ATOM 0 HG1 THR A 64 -9.675 -3.789 20.489 1.00 71.42 H new ATOM 0 HG21 THR A 64 -8.846 -2.706 22.428 1.00 23.51 H new ATOM 0 HG22 THR A 64 -8.371 -1.041 22.019 1.00 23.51 H new ATOM 0 HG23 THR A 64 -9.930 -1.685 21.453 1.00 23.51 H new ATOM 1043 N LYS A 65 -10.083 -1.833 17.711 1.00 5.14 N ATOM 1044 CA LYS A 65 -11.427 -1.674 17.140 1.00 43.04 C ATOM 1045 C LYS A 65 -12.514 -2.086 18.151 1.00 64.11 C ATOM 1046 O LYS A 65 -13.530 -1.405 18.309 1.00 40.24 O ATOM 1047 CB LYS A 65 -11.555 -2.502 15.852 1.00 13.21 C ATOM 1048 CG LYS A 65 -12.819 -2.208 15.048 1.00 52.30 C ATOM 1049 CD LYS A 65 -12.832 -0.776 14.510 1.00 74.43 C ATOM 1050 CE LYS A 65 -14.075 -0.496 13.673 1.00 73.32 C ATOM 1051 NZ LYS A 65 -14.066 0.875 13.097 1.00 74.32 N1+ ATOM 0 H LYS A 65 -9.480 -2.477 17.198 1.00 5.14 H new ATOM 0 HA LYS A 65 -11.572 -0.620 16.902 1.00 43.04 H new ATOM 0 HB2 LYS A 65 -10.685 -2.314 15.223 1.00 13.21 H new ATOM 0 HB3 LYS A 65 -11.539 -3.561 16.110 1.00 13.21 H new ATOM 0 HG2 LYS A 65 -12.892 -2.909 14.216 1.00 52.30 H new ATOM 0 HG3 LYS A 65 -13.695 -2.368 15.677 1.00 52.30 H new ATOM 0 HD2 LYS A 65 -12.789 -0.074 15.343 1.00 74.43 H new ATOM 0 HD3 LYS A 65 -11.941 -0.607 13.905 1.00 74.43 H new ATOM 0 HE2 LYS A 65 -14.141 -1.227 12.867 1.00 73.32 H new ATOM 0 HE3 LYS A 65 -14.964 -0.623 14.291 1.00 73.32 H new ATOM 0 HZ1 LYS A 65 -14.640 1.505 13.692 1.00 74.32 H new ATOM 0 HZ2 LYS A 65 -13.089 1.229 13.059 1.00 74.32 H new ATOM 0 HZ3 LYS A 65 -14.462 0.850 12.136 1.00 74.32 H new ATOM 1065 N ASN A 66 -12.290 -3.215 18.822 1.00 60.14 N ATOM 1066 CA ASN A 66 -13.183 -3.693 19.888 1.00 4.24 C ATOM 1067 C ASN A 66 -12.381 -3.935 21.183 1.00 13.01 C ATOM 1068 O ASN A 66 -11.311 -4.544 21.150 1.00 22.52 O ATOM 1069 CB ASN A 66 -13.884 -4.991 19.449 1.00 50.34 C ATOM 1070 CG ASN A 66 -14.973 -5.441 20.415 1.00 0.32 C ATOM 1071 OD1 ASN A 66 -14.950 -5.117 21.594 1.00 60.21 O ATOM 1072 ND2 ASN A 66 -15.929 -6.206 19.927 1.00 75.13 N ATOM 0 H ASN A 66 -11.491 -3.824 18.647 1.00 60.14 H new ATOM 0 HA ASN A 66 -13.940 -2.932 20.080 1.00 4.24 H new ATOM 0 HB2 ASN A 66 -14.321 -4.844 18.461 1.00 50.34 H new ATOM 0 HB3 ASN A 66 -13.141 -5.783 19.354 1.00 50.34 H new ATOM 0 HD21 ASN A 66 -16.674 -6.543 20.537 1.00 75.13 H new ATOM 0 HD22 ASN A 66 -15.924 -6.461 18.939 1.00 75.13 H new ATOM 1079 N GLU A 67 -12.891 -3.468 22.322 1.00 61.43 N ATOM 1080 CA GLU A 67 -12.211 -3.679 23.611 1.00 40.01 C ATOM 1081 C GLU A 67 -12.133 -5.174 23.979 1.00 74.54 C ATOM 1082 O GLU A 67 -11.211 -5.607 24.673 1.00 23.33 O ATOM 1083 CB GLU A 67 -12.897 -2.874 24.722 1.00 11.34 C ATOM 1084 CG GLU A 67 -12.796 -1.365 24.513 1.00 3.15 C ATOM 1085 CD GLU A 67 -13.265 -0.560 25.714 1.00 70.00 C ATOM 1086 OE1 GLU A 67 -14.282 0.156 25.604 1.00 42.01 O ATOM 1087 OE2 GLU A 67 -12.608 -0.628 26.774 1.00 73.05 O1- ATOM 0 H GLU A 67 -13.764 -2.945 22.385 1.00 61.43 H new ATOM 0 HA GLU A 67 -11.187 -3.319 23.506 1.00 40.01 H new ATOM 0 HB2 GLU A 67 -13.948 -3.159 24.774 1.00 11.34 H new ATOM 0 HB3 GLU A 67 -12.449 -3.133 25.681 1.00 11.34 H new ATOM 0 HG2 GLU A 67 -11.761 -1.104 24.291 1.00 3.15 H new ATOM 0 HG3 GLU A 67 -13.389 -1.085 23.642 1.00 3.15 H new ATOM 1094 N GLU A 68 -13.100 -5.955 23.502 1.00 21.42 N ATOM 1095 CA GLU A 68 -13.053 -7.419 23.628 1.00 1.32 C ATOM 1096 C GLU A 68 -11.845 -7.988 22.865 1.00 72.34 C ATOM 1097 O GLU A 68 -11.245 -8.986 23.266 1.00 40.42 O ATOM 1098 CB GLU A 68 -14.339 -8.047 23.074 1.00 71.22 C ATOM 1099 CG GLU A 68 -15.615 -7.562 23.750 1.00 70.21 C ATOM 1100 CD GLU A 68 -16.864 -8.175 23.136 1.00 23.22 C ATOM 1101 OE1 GLU A 68 -17.309 -9.241 23.613 1.00 13.12 O ATOM 1102 OE2 GLU A 68 -17.399 -7.608 22.161 1.00 53.34 O1- ATOM 0 H GLU A 68 -13.929 -5.602 23.023 1.00 21.42 H new ATOM 0 HA GLU A 68 -12.958 -7.662 24.686 1.00 1.32 H new ATOM 0 HB2 GLU A 68 -14.403 -7.834 22.007 1.00 71.22 H new ATOM 0 HB3 GLU A 68 -14.275 -9.130 23.179 1.00 71.22 H new ATOM 0 HG2 GLU A 68 -15.577 -7.808 24.811 1.00 70.21 H new ATOM 0 HG3 GLU A 68 -15.672 -6.476 23.676 1.00 70.21 H new ATOM 1109 N LEU A 69 -11.510 -7.337 21.752 1.00 34.14 N ATOM 1110 CA LEU A 69 -10.351 -7.705 20.935 1.00 44.41 C ATOM 1111 C LEU A 69 -9.048 -7.387 21.688 1.00 74.32 C ATOM 1112 O LEU A 69 -8.067 -8.122 21.587 1.00 45.04 O ATOM 1113 CB LEU A 69 -10.418 -6.967 19.580 1.00 50.13 C ATOM 1114 CG LEU A 69 -9.469 -7.463 18.464 1.00 32.11 C ATOM 1115 CD1 LEU A 69 -9.966 -6.995 17.095 1.00 22.44 C ATOM 1116 CD2 LEU A 69 -8.032 -6.982 18.688 1.00 45.52 C ATOM 0 H LEU A 69 -12.033 -6.540 21.390 1.00 34.14 H new ATOM 0 HA LEU A 69 -10.365 -8.777 20.740 1.00 44.41 H new ATOM 0 HB2 LEU A 69 -11.441 -7.032 19.209 1.00 50.13 H new ATOM 0 HB3 LEU A 69 -10.210 -5.912 19.758 1.00 50.13 H new ATOM 0 HG LEU A 69 -9.469 -8.553 18.495 1.00 32.11 H new ATOM 0 HD11 LEU A 69 -9.288 -7.352 16.320 1.00 22.44 H new ATOM 0 HD12 LEU A 69 -10.964 -7.393 16.915 1.00 22.44 H new ATOM 0 HD13 LEU A 69 -10.001 -5.906 17.073 1.00 22.44 H new ATOM 0 HD21 LEU A 69 -7.395 -7.351 17.884 1.00 45.52 H new ATOM 0 HD22 LEU A 69 -8.010 -5.892 18.697 1.00 45.52 H new ATOM 0 HD23 LEU A 69 -7.666 -7.360 19.643 1.00 45.52 H new ATOM 1128 N ALA A 70 -9.053 -6.294 22.458 1.00 11.01 N ATOM 1129 CA ALA A 70 -7.880 -5.890 23.251 1.00 54.34 C ATOM 1130 C ALA A 70 -7.418 -7.018 24.188 1.00 4.34 C ATOM 1131 O ALA A 70 -6.222 -7.195 24.422 1.00 12.11 O ATOM 1132 CB ALA A 70 -8.192 -4.635 24.057 1.00 64.25 C ATOM 0 H ALA A 70 -9.855 -5.671 22.551 1.00 11.01 H new ATOM 0 HA ALA A 70 -7.068 -5.676 22.556 1.00 54.34 H new ATOM 0 HB1 ALA A 70 -7.315 -4.349 24.638 1.00 64.25 H new ATOM 0 HB2 ALA A 70 -8.459 -3.824 23.379 1.00 64.25 H new ATOM 0 HB3 ALA A 70 -9.025 -4.833 24.731 1.00 64.25 H new ATOM 1138 N LYS A 71 -8.378 -7.781 24.711 1.00 1.30 N ATOM 1139 CA LYS A 71 -8.073 -8.958 25.533 1.00 13.44 C ATOM 1140 C LYS A 71 -7.221 -9.962 24.737 1.00 1.42 C ATOM 1141 O LYS A 71 -6.268 -10.542 25.256 1.00 40.21 O ATOM 1142 CB LYS A 71 -9.374 -9.630 25.996 1.00 64.45 C ATOM 1143 CG LYS A 71 -10.357 -8.676 26.670 1.00 22.40 C ATOM 1144 CD LYS A 71 -11.658 -9.379 27.049 1.00 71.01 C ATOM 1145 CE LYS A 71 -12.691 -8.405 27.606 1.00 34.11 C ATOM 1146 NZ LYS A 71 -13.945 -9.097 28.008 1.00 45.43 N1+ ATOM 0 H LYS A 71 -9.375 -7.607 24.581 1.00 1.30 H new ATOM 0 HA LYS A 71 -7.508 -8.633 26.407 1.00 13.44 H new ATOM 0 HB2 LYS A 71 -9.861 -10.089 25.135 1.00 64.45 H new ATOM 0 HB3 LYS A 71 -9.129 -10.434 26.690 1.00 64.45 H new ATOM 0 HG2 LYS A 71 -9.898 -8.253 27.564 1.00 22.40 H new ATOM 0 HG3 LYS A 71 -10.575 -7.845 26.000 1.00 22.40 H new ATOM 0 HD2 LYS A 71 -12.068 -9.881 26.172 1.00 71.01 H new ATOM 0 HD3 LYS A 71 -11.451 -10.151 27.790 1.00 71.01 H new ATOM 0 HE2 LYS A 71 -12.272 -7.884 28.467 1.00 34.11 H new ATOM 0 HE3 LYS A 71 -12.918 -7.648 26.855 1.00 34.11 H new ATOM 0 HZ1 LYS A 71 -14.621 -8.401 28.381 1.00 45.43 H new ATOM 0 HZ2 LYS A 71 -14.359 -9.573 27.181 1.00 45.43 H new ATOM 0 HZ3 LYS A 71 -13.732 -9.802 28.743 1.00 45.43 H new ATOM 1160 N ARG A 72 -7.581 -10.147 23.467 1.00 43.53 N ATOM 1161 CA ARG A 72 -6.825 -10.999 22.542 1.00 64.03 C ATOM 1162 C ARG A 72 -5.482 -10.346 22.161 1.00 75.23 C ATOM 1163 O ARG A 72 -4.467 -11.029 22.016 1.00 30.05 O ATOM 1164 CB ARG A 72 -7.693 -11.287 21.295 1.00 20.40 C ATOM 1165 CG ARG A 72 -6.957 -11.915 20.105 1.00 22.11 C ATOM 1166 CD ARG A 72 -6.367 -10.855 19.173 1.00 73.11 C ATOM 1167 NE ARG A 72 -5.694 -11.439 18.017 1.00 54.54 N ATOM 1168 CZ ARG A 72 -5.105 -10.743 17.085 1.00 73.53 C ATOM 1169 NH1 ARG A 72 -5.063 -9.450 17.148 1.00 64.11 N1+ ATOM 1170 NH2 ARG A 72 -4.558 -11.343 16.083 1.00 2.41 N ATOM 0 H ARG A 72 -8.403 -9.712 23.049 1.00 43.53 H new ATOM 0 HA ARG A 72 -6.588 -11.944 23.031 1.00 64.03 H new ATOM 0 HB2 ARG A 72 -8.507 -11.951 21.587 1.00 20.40 H new ATOM 0 HB3 ARG A 72 -8.146 -10.352 20.966 1.00 20.40 H new ATOM 0 HG2 ARG A 72 -6.159 -12.560 20.472 1.00 22.11 H new ATOM 0 HG3 ARG A 72 -7.646 -12.547 19.545 1.00 22.11 H new ATOM 0 HD2 ARG A 72 -7.163 -10.194 18.830 1.00 73.11 H new ATOM 0 HD3 ARG A 72 -5.659 -10.240 19.729 1.00 73.11 H new ATOM 0 HE ARG A 72 -5.684 -12.455 17.933 1.00 54.54 H new ATOM 0 HH11 ARG A 72 -5.494 -8.963 17.934 1.00 64.11 H new ATOM 0 HH12 ARG A 72 -4.599 -8.918 16.412 1.00 64.11 H new ATOM 0 HH21 ARG A 72 -4.587 -12.361 16.020 1.00 2.41 H new ATOM 0 HH22 ARG A 72 -4.097 -10.800 15.353 1.00 2.41 H new ATOM 1184 N ALA A 73 -5.487 -9.023 22.006 1.00 61.21 N ATOM 1185 CA ALA A 73 -4.275 -8.269 21.666 1.00 43.43 C ATOM 1186 C ALA A 73 -3.201 -8.416 22.753 1.00 22.12 C ATOM 1187 O ALA A 73 -2.005 -8.440 22.463 1.00 4.23 O ATOM 1188 CB ALA A 73 -4.613 -6.800 21.440 1.00 12.51 C ATOM 0 H ALA A 73 -6.321 -8.445 22.111 1.00 61.21 H new ATOM 0 HA ALA A 73 -3.869 -8.682 20.743 1.00 43.43 H new ATOM 0 HB1 ALA A 73 -3.705 -6.252 21.189 1.00 12.51 H new ATOM 0 HB2 ALA A 73 -5.328 -6.713 20.622 1.00 12.51 H new ATOM 0 HB3 ALA A 73 -5.049 -6.383 22.348 1.00 12.51 H new ATOM 1194 N LYS A 74 -3.647 -8.546 24.001 1.00 73.11 N ATOM 1195 CA LYS A 74 -2.750 -8.733 25.148 1.00 73.01 C ATOM 1196 C LYS A 74 -1.786 -9.912 24.921 1.00 52.31 C ATOM 1197 O LYS A 74 -0.615 -9.852 25.299 1.00 11.34 O ATOM 1198 CB LYS A 74 -3.587 -8.973 26.414 1.00 22.43 C ATOM 1199 CG LYS A 74 -2.769 -9.275 27.667 1.00 70.35 C ATOM 1200 CD LYS A 74 -3.669 -9.632 28.850 1.00 70.41 C ATOM 1201 CE LYS A 74 -2.867 -10.053 30.075 1.00 54.24 C ATOM 1202 NZ LYS A 74 -3.751 -10.519 31.177 1.00 43.40 N1+ ATOM 0 H LYS A 74 -4.636 -8.525 24.249 1.00 73.11 H new ATOM 0 HA LYS A 74 -2.149 -7.831 25.267 1.00 73.01 H new ATOM 0 HB2 LYS A 74 -4.201 -8.092 26.600 1.00 22.43 H new ATOM 0 HB3 LYS A 74 -4.268 -9.804 26.231 1.00 22.43 H new ATOM 0 HG2 LYS A 74 -2.085 -10.100 27.467 1.00 70.35 H new ATOM 0 HG3 LYS A 74 -2.158 -8.409 27.922 1.00 70.35 H new ATOM 0 HD2 LYS A 74 -4.292 -8.774 29.103 1.00 70.41 H new ATOM 0 HD3 LYS A 74 -4.341 -10.440 28.562 1.00 70.41 H new ATOM 0 HE2 LYS A 74 -2.176 -10.850 29.801 1.00 54.24 H new ATOM 0 HE3 LYS A 74 -2.265 -9.213 30.422 1.00 54.24 H new ATOM 0 HZ1 LYS A 74 -3.170 -10.797 31.994 1.00 43.40 H new ATOM 0 HZ2 LYS A 74 -4.394 -9.750 31.455 1.00 43.40 H new ATOM 0 HZ3 LYS A 74 -4.308 -11.336 30.854 1.00 43.40 H new ATOM 1216 N LYS A 75 -2.286 -10.979 24.296 1.00 4.24 N ATOM 1217 CA LYS A 75 -1.465 -12.158 23.993 1.00 75.23 C ATOM 1218 C LYS A 75 -0.273 -11.791 23.088 1.00 52.11 C ATOM 1219 O LYS A 75 0.823 -12.329 23.242 1.00 13.31 O ATOM 1220 CB LYS A 75 -2.314 -13.264 23.335 1.00 12.20 C ATOM 1221 CG LYS A 75 -3.321 -13.940 24.277 1.00 35.10 C ATOM 1222 CD LYS A 75 -4.440 -12.997 24.713 1.00 33.33 C ATOM 1223 CE LYS A 75 -5.461 -13.690 25.610 1.00 74.12 C ATOM 1224 NZ LYS A 75 -4.870 -14.137 26.898 1.00 21.11 N1+ ATOM 0 H LYS A 75 -3.256 -11.053 23.989 1.00 4.24 H new ATOM 0 HA LYS A 75 -1.072 -12.536 24.937 1.00 75.23 H new ATOM 0 HB2 LYS A 75 -2.856 -12.835 22.492 1.00 12.20 H new ATOM 0 HB3 LYS A 75 -1.646 -14.025 22.931 1.00 12.20 H new ATOM 0 HG2 LYS A 75 -3.755 -14.807 23.778 1.00 35.10 H new ATOM 0 HG3 LYS A 75 -2.797 -14.309 25.159 1.00 35.10 H new ATOM 0 HD2 LYS A 75 -4.011 -12.147 25.243 1.00 33.33 H new ATOM 0 HD3 LYS A 75 -4.943 -12.601 23.831 1.00 33.33 H new ATOM 0 HE2 LYS A 75 -6.288 -13.008 25.810 1.00 74.12 H new ATOM 0 HE3 LYS A 75 -5.877 -14.550 25.086 1.00 74.12 H new ATOM 0 HZ1 LYS A 75 -5.612 -14.556 27.494 1.00 21.11 H new ATOM 0 HZ2 LYS A 75 -4.132 -14.847 26.714 1.00 21.11 H new ATOM 0 HZ3 LYS A 75 -4.451 -13.322 27.389 1.00 21.11 H new ATOM 1238 N LEU A 76 -0.494 -10.872 22.146 1.00 64.42 N ATOM 1239 CA LEU A 76 0.585 -10.370 21.281 1.00 15.25 C ATOM 1240 C LEU A 76 1.585 -9.526 22.088 1.00 24.13 C ATOM 1241 O LEU A 76 2.801 -9.698 21.969 1.00 71.13 O ATOM 1242 CB LEU A 76 0.017 -9.538 20.113 1.00 22.21 C ATOM 1243 CG LEU A 76 -0.776 -10.318 19.043 1.00 34.05 C ATOM 1244 CD1 LEU A 76 0.060 -11.458 18.468 1.00 10.54 C ATOM 1245 CD2 LEU A 76 -2.100 -10.841 19.601 1.00 23.23 C ATOM 0 H LEU A 76 -1.408 -10.458 21.960 1.00 64.42 H new ATOM 0 HA LEU A 76 1.107 -11.234 20.870 1.00 15.25 H new ATOM 0 HB2 LEU A 76 -0.633 -8.766 20.526 1.00 22.21 H new ATOM 0 HB3 LEU A 76 0.845 -9.028 19.621 1.00 22.21 H new ATOM 0 HG LEU A 76 -1.008 -9.625 18.234 1.00 34.05 H new ATOM 0 HD11 LEU A 76 -0.521 -11.992 17.716 1.00 10.54 H new ATOM 0 HD12 LEU A 76 0.962 -11.052 18.009 1.00 10.54 H new ATOM 0 HD13 LEU A 76 0.338 -12.145 19.268 1.00 10.54 H new ATOM 0 HD21 LEU A 76 -2.633 -11.385 18.822 1.00 23.23 H new ATOM 0 HD22 LEU A 76 -1.903 -11.508 20.440 1.00 23.23 H new ATOM 0 HD23 LEU A 76 -2.709 -10.003 19.939 1.00 23.23 H new ATOM 1257 N LEU A 77 1.055 -8.625 22.917 1.00 43.05 N ATOM 1258 CA LEU A 77 1.873 -7.770 23.792 1.00 73.14 C ATOM 1259 C LEU A 77 2.780 -8.605 24.715 1.00 42.35 C ATOM 1260 O LEU A 77 3.887 -8.183 25.060 1.00 1.23 O ATOM 1261 CB LEU A 77 0.971 -6.840 24.626 1.00 10.43 C ATOM 1262 CG LEU A 77 0.439 -5.584 23.899 1.00 20.32 C ATOM 1263 CD1 LEU A 77 -0.199 -5.934 22.557 1.00 33.33 C ATOM 1264 CD2 LEU A 77 -0.557 -4.836 24.785 1.00 32.20 C ATOM 0 H LEU A 77 0.051 -8.464 23.004 1.00 43.05 H new ATOM 0 HA LEU A 77 2.517 -7.164 23.155 1.00 73.14 H new ATOM 0 HB2 LEU A 77 0.118 -7.418 24.983 1.00 10.43 H new ATOM 0 HB3 LEU A 77 1.529 -6.518 25.505 1.00 10.43 H new ATOM 0 HG LEU A 77 1.291 -4.935 23.698 1.00 20.32 H new ATOM 0 HD11 LEU A 77 -0.560 -5.024 22.078 1.00 33.33 H new ATOM 0 HD12 LEU A 77 0.541 -6.412 21.916 1.00 33.33 H new ATOM 0 HD13 LEU A 77 -1.034 -6.616 22.718 1.00 33.33 H new ATOM 0 HD21 LEU A 77 -0.922 -3.954 24.258 1.00 32.20 H new ATOM 0 HD22 LEU A 77 -1.396 -5.490 25.022 1.00 32.20 H new ATOM 0 HD23 LEU A 77 -0.064 -4.529 25.708 1.00 32.20 H new ATOM 1276 N ARG A 78 2.309 -9.794 25.101 1.00 71.15 N ATOM 1277 CA ARG A 78 3.084 -10.708 25.955 1.00 62.14 C ATOM 1278 C ARG A 78 4.474 -10.999 25.367 1.00 73.35 C ATOM 1279 O ARG A 78 5.461 -11.078 26.100 1.00 3.13 O ATOM 1280 CB ARG A 78 2.326 -12.031 26.133 1.00 41.41 C ATOM 1281 CG ARG A 78 1.095 -11.948 27.030 1.00 4.14 C ATOM 1282 CD ARG A 78 1.467 -11.796 28.503 1.00 63.20 C ATOM 1283 NE ARG A 78 0.401 -12.283 29.381 1.00 3.32 N ATOM 1284 CZ ARG A 78 0.496 -12.356 30.681 1.00 12.31 C ATOM 1285 NH1 ARG A 78 1.557 -11.937 31.290 1.00 74.23 N1+ ATOM 1286 NH2 ARG A 78 -0.474 -12.850 31.375 1.00 61.24 N ATOM 0 H ARG A 78 1.391 -10.150 24.836 1.00 71.15 H new ATOM 0 HA ARG A 78 3.216 -10.218 26.920 1.00 62.14 H new ATOM 0 HB2 ARG A 78 2.019 -12.392 25.152 1.00 41.41 H new ATOM 0 HB3 ARG A 78 3.010 -12.772 26.546 1.00 41.41 H new ATOM 0 HG2 ARG A 78 0.480 -11.102 26.723 1.00 4.14 H new ATOM 0 HG3 ARG A 78 0.491 -12.846 26.900 1.00 4.14 H new ATOM 0 HD2 ARG A 78 2.386 -12.346 28.706 1.00 63.20 H new ATOM 0 HD3 ARG A 78 1.669 -10.747 28.722 1.00 63.20 H new ATOM 0 HE ARG A 78 -0.472 -12.585 28.949 1.00 3.32 H new ATOM 0 HH11 ARG A 78 2.331 -11.544 30.754 1.00 74.23 H new ATOM 0 HH12 ARG A 78 1.620 -11.999 32.306 1.00 74.23 H new ATOM 0 HH21 ARG A 78 -1.317 -13.184 30.908 1.00 61.24 H new ATOM 0 HH22 ARG A 78 -0.398 -12.906 32.391 1.00 61.24 H new ATOM 1300 N SER A 79 4.543 -11.143 24.042 1.00 31.23 N ATOM 1301 CA SER A 79 5.815 -11.416 23.351 1.00 33.45 C ATOM 1302 C SER A 79 6.856 -10.332 23.657 1.00 5.21 C ATOM 1303 O SER A 79 8.053 -10.607 23.760 1.00 62.14 O ATOM 1304 CB SER A 79 5.598 -11.497 21.831 1.00 35.22 C ATOM 1305 OG SER A 79 4.686 -12.533 21.489 1.00 31.23 O ATOM 0 H SER A 79 3.736 -11.076 23.422 1.00 31.23 H new ATOM 0 HA SER A 79 6.187 -12.373 23.716 1.00 33.45 H new ATOM 0 HB2 SER A 79 5.220 -10.542 21.465 1.00 35.22 H new ATOM 0 HB3 SER A 79 6.553 -11.673 21.335 1.00 35.22 H new ATOM 0 HG SER A 79 4.568 -12.557 20.516 1.00 31.23 H new ATOM 1311 N TRP A 80 6.383 -9.098 23.806 1.00 63.52 N ATOM 1312 CA TRP A 80 7.251 -7.961 24.120 1.00 64.31 C ATOM 1313 C TRP A 80 7.510 -7.876 25.631 1.00 55.31 C ATOM 1314 O TRP A 80 8.632 -7.625 26.075 1.00 61.44 O ATOM 1315 CB TRP A 80 6.603 -6.660 23.629 1.00 75.21 C ATOM 1316 CG TRP A 80 6.143 -6.716 22.201 1.00 41.31 C ATOM 1317 CD1 TRP A 80 6.577 -7.570 21.230 1.00 63.01 C ATOM 1318 CD2 TRP A 80 5.162 -5.876 21.584 1.00 22.30 C ATOM 1319 NE1 TRP A 80 5.915 -7.323 20.055 1.00 55.42 N ATOM 1320 CE2 TRP A 80 5.044 -6.283 20.243 1.00 33.44 C ATOM 1321 CE3 TRP A 80 4.373 -4.819 22.038 1.00 52.14 C ATOM 1322 CZ2 TRP A 80 4.165 -5.670 19.354 1.00 54.43 C ATOM 1323 CZ3 TRP A 80 3.503 -4.210 21.156 1.00 52.42 C ATOM 1324 CH2 TRP A 80 3.403 -4.637 19.827 1.00 44.13 C ATOM 0 H TRP A 80 5.396 -8.856 23.714 1.00 63.52 H new ATOM 0 HA TRP A 80 8.205 -8.104 23.613 1.00 64.31 H new ATOM 0 HB2 TRP A 80 5.751 -6.426 24.267 1.00 75.21 H new ATOM 0 HB3 TRP A 80 7.318 -5.844 23.739 1.00 75.21 H new ATOM 0 HD1 TRP A 80 7.332 -8.330 21.367 1.00 63.01 H new ATOM 0 HE1 TRP A 80 6.050 -7.832 19.181 1.00 55.42 H new ATOM 0 HE3 TRP A 80 4.442 -4.483 23.062 1.00 52.14 H new ATOM 0 HZ2 TRP A 80 4.088 -5.998 18.328 1.00 54.43 H new ATOM 0 HZ3 TRP A 80 2.889 -3.390 21.497 1.00 52.42 H new ATOM 0 HH2 TRP A 80 2.711 -4.142 19.162 1.00 44.13 H new ATOM 1335 N GLN A 81 6.456 -8.099 26.415 1.00 31.01 N ATOM 1336 CA GLN A 81 6.547 -8.065 27.878 1.00 72.03 C ATOM 1337 C GLN A 81 7.446 -9.193 28.412 1.00 13.44 C ATOM 1338 O GLN A 81 7.975 -9.102 29.516 1.00 13.44 O ATOM 1339 CB GLN A 81 5.143 -8.162 28.499 1.00 33.04 C ATOM 1340 CG GLN A 81 4.182 -7.071 28.028 1.00 21.15 C ATOM 1341 CD GLN A 81 4.610 -5.674 28.454 1.00 42.22 C ATOM 1342 OE1 GLN A 81 4.209 -5.177 29.503 1.00 14.42 O ATOM 1343 NE2 GLN A 81 5.422 -5.024 27.644 1.00 41.05 N ATOM 0 H GLN A 81 5.522 -8.307 26.060 1.00 31.01 H new ATOM 0 HA GLN A 81 6.999 -7.115 28.164 1.00 72.03 H new ATOM 0 HB2 GLN A 81 4.717 -9.136 28.260 1.00 33.04 H new ATOM 0 HB3 GLN A 81 5.232 -8.111 29.584 1.00 33.04 H new ATOM 0 HG2 GLN A 81 4.107 -7.106 26.941 1.00 21.15 H new ATOM 0 HG3 GLN A 81 3.187 -7.276 28.423 1.00 21.15 H new ATOM 0 HE21 GLN A 81 5.739 -5.463 26.779 1.00 41.05 H new ATOM 0 HE22 GLN A 81 5.734 -4.082 27.882 1.00 41.05 H new ATOM 1352 N LYS A 82 7.640 -10.241 27.609 1.00 12.52 N ATOM 1353 CA LYS A 82 8.514 -11.360 27.987 1.00 34.43 C ATOM 1354 C LYS A 82 9.965 -10.893 28.218 1.00 0.02 C ATOM 1355 O LYS A 82 10.762 -11.590 28.850 1.00 20.05 O ATOM 1356 CB LYS A 82 8.500 -12.434 26.886 1.00 15.53 C ATOM 1357 CG LYS A 82 9.284 -13.704 27.242 1.00 3.12 C ATOM 1358 CD LYS A 82 10.119 -14.228 26.075 1.00 11.14 C ATOM 1359 CE LYS A 82 11.284 -13.297 25.760 1.00 3.12 C ATOM 1360 NZ LYS A 82 12.172 -13.114 26.941 1.00 33.34 N1+ ATOM 0 H LYS A 82 7.205 -10.341 26.692 1.00 12.52 H new ATOM 0 HA LYS A 82 8.132 -11.775 28.920 1.00 34.43 H new ATOM 0 HB2 LYS A 82 7.467 -12.706 26.671 1.00 15.53 H new ATOM 0 HB3 LYS A 82 8.914 -12.008 25.972 1.00 15.53 H new ATOM 0 HG2 LYS A 82 9.939 -13.496 28.088 1.00 3.12 H new ATOM 0 HG3 LYS A 82 8.587 -14.479 27.561 1.00 3.12 H new ATOM 0 HD2 LYS A 82 10.500 -15.221 26.315 1.00 11.14 H new ATOM 0 HD3 LYS A 82 9.488 -14.334 25.193 1.00 11.14 H new ATOM 0 HE2 LYS A 82 11.861 -13.703 24.929 1.00 3.12 H new ATOM 0 HE3 LYS A 82 10.900 -12.329 25.439 1.00 3.12 H new ATOM 0 HZ1 LYS A 82 13.007 -12.559 26.665 1.00 33.34 H new ATOM 0 HZ2 LYS A 82 11.654 -12.612 27.690 1.00 33.34 H new ATOM 0 HZ3 LYS A 82 12.476 -14.044 27.294 1.00 33.34 H new ATOM 1374 N LEU A 83 10.314 -9.721 27.689 1.00 63.25 N ATOM 1375 CA LEU A 83 11.670 -9.179 27.840 1.00 72.40 C ATOM 1376 C LEU A 83 11.909 -8.645 29.265 1.00 22.12 C ATOM 1377 O LEU A 83 12.980 -8.840 29.842 1.00 41.11 O ATOM 1378 CB LEU A 83 11.902 -8.058 26.814 1.00 72.23 C ATOM 1379 CG LEU A 83 13.321 -7.460 26.787 1.00 41.42 C ATOM 1380 CD1 LEU A 83 14.350 -8.516 26.383 1.00 72.14 C ATOM 1381 CD2 LEU A 83 13.382 -6.255 25.847 1.00 40.33 C ATOM 0 H LEU A 83 9.681 -9.128 27.153 1.00 63.25 H new ATOM 0 HA LEU A 83 12.378 -9.989 27.663 1.00 72.40 H new ATOM 0 HB2 LEU A 83 11.672 -8.446 25.822 1.00 72.23 H new ATOM 0 HB3 LEU A 83 11.193 -7.255 27.014 1.00 72.23 H new ATOM 0 HG LEU A 83 13.565 -7.120 27.793 1.00 41.42 H new ATOM 0 HD11 LEU A 83 15.344 -8.069 26.371 1.00 72.14 H new ATOM 0 HD12 LEU A 83 14.329 -9.337 27.100 1.00 72.14 H new ATOM 0 HD13 LEU A 83 14.111 -8.896 25.390 1.00 72.14 H new ATOM 0 HD21 LEU A 83 14.393 -5.848 25.843 1.00 40.33 H new ATOM 0 HD22 LEU A 83 13.112 -6.567 24.838 1.00 40.33 H new ATOM 0 HD23 LEU A 83 12.684 -5.491 26.189 1.00 40.33 H new ATOM 1393 N ILE A 84 10.906 -7.967 29.827 1.00 33.02 N ATOM 1394 CA ILE A 84 11.009 -7.406 31.184 1.00 4.34 C ATOM 1395 C ILE A 84 10.169 -8.181 32.224 1.00 5.14 C ATOM 1396 O ILE A 84 10.186 -7.852 33.411 1.00 15.41 O ATOM 1397 CB ILE A 84 10.650 -5.887 31.206 1.00 72.41 C ATOM 1398 CG1 ILE A 84 9.463 -5.562 30.270 1.00 53.41 C ATOM 1399 CG2 ILE A 84 11.873 -5.049 30.825 1.00 41.31 C ATOM 1400 CD1 ILE A 84 8.129 -6.112 30.727 1.00 4.13 C ATOM 0 H ILE A 84 10.013 -7.791 29.367 1.00 33.02 H new ATOM 0 HA ILE A 84 12.054 -7.518 31.475 1.00 4.34 H new ATOM 0 HB ILE A 84 10.344 -5.635 32.222 1.00 72.41 H new ATOM 0 HG12 ILE A 84 9.380 -4.480 30.173 1.00 53.41 H new ATOM 0 HG13 ILE A 84 9.682 -5.955 29.277 1.00 53.41 H new ATOM 0 HG21 ILE A 84 11.610 -3.991 30.844 1.00 41.31 H new ATOM 0 HG22 ILE A 84 12.678 -5.235 31.536 1.00 41.31 H new ATOM 0 HG23 ILE A 84 12.204 -5.323 29.823 1.00 41.31 H new ATOM 0 HD11 ILE A 84 7.356 -5.835 30.010 1.00 4.13 H new ATOM 0 HD12 ILE A 84 8.188 -7.198 30.796 1.00 4.13 H new ATOM 0 HD13 ILE A 84 7.881 -5.699 31.705 1.00 4.13 H new ATOM 1412 N GLU A 85 9.442 -9.207 31.776 1.00 21.25 N ATOM 1413 CA GLU A 85 8.620 -10.039 32.675 1.00 22.43 C ATOM 1414 C GLU A 85 8.835 -11.543 32.409 1.00 44.44 C ATOM 1415 O GLU A 85 9.177 -11.942 31.294 1.00 50.14 O ATOM 1416 CB GLU A 85 7.128 -9.675 32.529 1.00 30.44 C ATOM 1417 CG GLU A 85 6.764 -8.324 33.141 1.00 72.15 C ATOM 1418 CD GLU A 85 5.300 -7.952 32.958 1.00 41.23 C ATOM 1419 OE1 GLU A 85 4.424 -8.758 33.333 1.00 55.44 O ATOM 1420 OE2 GLU A 85 5.016 -6.836 32.474 1.00 12.23 O1- ATOM 0 H GLU A 85 9.402 -9.486 30.796 1.00 21.25 H new ATOM 0 HA GLU A 85 8.936 -9.835 33.698 1.00 22.43 H new ATOM 0 HB2 GLU A 85 6.867 -9.667 31.471 1.00 30.44 H new ATOM 0 HB3 GLU A 85 6.526 -10.452 33.000 1.00 30.44 H new ATOM 0 HG2 GLU A 85 6.996 -8.342 34.206 1.00 72.15 H new ATOM 0 HG3 GLU A 85 7.387 -7.550 32.692 1.00 72.15 H new ATOM 1427 N PRO A 86 8.623 -12.404 33.432 1.00 52.00 N ATOM 1428 CA PRO A 86 8.873 -13.855 33.322 1.00 61.03 C ATOM 1429 C PRO A 86 7.757 -14.631 32.593 1.00 71.34 C ATOM 1430 O PRO A 86 7.667 -15.854 32.710 1.00 2.22 O ATOM 1431 CB PRO A 86 8.955 -14.287 34.789 1.00 12.24 C ATOM 1432 CG PRO A 86 8.028 -13.358 35.499 1.00 63.14 C ATOM 1433 CD PRO A 86 8.137 -12.034 34.782 1.00 22.12 C ATOM 0 HA PRO A 86 9.763 -14.064 32.728 1.00 61.03 H new ATOM 0 HB2 PRO A 86 8.651 -15.326 34.915 1.00 12.24 H new ATOM 0 HB3 PRO A 86 9.972 -14.204 35.172 1.00 12.24 H new ATOM 0 HG2 PRO A 86 7.005 -13.733 35.473 1.00 63.14 H new ATOM 0 HG3 PRO A 86 8.304 -13.257 36.549 1.00 63.14 H new ATOM 0 HD2 PRO A 86 7.175 -11.524 34.735 1.00 22.12 H new ATOM 0 HD3 PRO A 86 8.830 -11.361 35.287 1.00 22.12 H new ATOM 1441 N ALA A 87 6.920 -13.928 31.835 1.00 11.44 N ATOM 1442 CA ALA A 87 5.847 -14.572 31.066 1.00 24.23 C ATOM 1443 C ALA A 87 6.410 -15.302 29.835 1.00 62.41 C ATOM 1444 O ALA A 87 7.030 -14.686 28.974 1.00 32.14 O ATOM 1445 CB ALA A 87 4.809 -13.537 30.643 1.00 23.44 C ATOM 0 H ALA A 87 6.960 -12.914 31.734 1.00 11.44 H new ATOM 0 HA ALA A 87 5.367 -15.313 31.705 1.00 24.23 H new ATOM 0 HB1 ALA A 87 4.019 -14.026 30.074 1.00 23.44 H new ATOM 0 HB2 ALA A 87 4.381 -13.068 31.529 1.00 23.44 H new ATOM 0 HB3 ALA A 87 5.285 -12.777 30.024 1.00 23.44 H new ATOM 1451 N HIS A 88 6.196 -16.615 29.757 1.00 40.41 N ATOM 1452 CA HIS A 88 6.723 -17.428 28.648 1.00 71.45 C ATOM 1453 C HIS A 88 5.639 -18.349 28.059 1.00 43.35 C ATOM 1454 O HIS A 88 4.453 -18.207 28.359 1.00 0.21 O ATOM 1455 CB HIS A 88 7.891 -18.294 29.142 1.00 72.32 C ATOM 1456 CG HIS A 88 8.976 -17.538 29.845 1.00 21.23 C ATOM 1457 ND1 HIS A 88 9.253 -17.700 31.184 1.00 53.44 N ATOM 1458 CD2 HIS A 88 9.873 -16.632 29.389 1.00 72.04 C ATOM 1459 CE1 HIS A 88 10.270 -16.936 31.519 1.00 54.24 C ATOM 1460 NE2 HIS A 88 10.667 -16.277 30.451 1.00 21.15 N ATOM 0 H HIS A 88 5.662 -17.144 30.446 1.00 40.41 H new ATOM 0 HA HIS A 88 7.061 -16.743 27.871 1.00 71.45 H new ATOM 0 HB2 HIS A 88 7.501 -19.055 29.817 1.00 72.32 H new ATOM 0 HB3 HIS A 88 8.325 -18.816 28.289 1.00 72.32 H new ATOM 0 HD2 HIS A 88 9.949 -16.258 28.379 1.00 72.04 H new ATOM 0 HE1 HIS A 88 10.706 -16.862 32.504 1.00 54.24 H new ATOM 0 HE2 HIS A 88 11.439 -15.611 30.418 1.00 21.15 H new ATOM 1469 N GLN A 89 6.075 -19.302 27.224 1.00 22.23 N ATOM 1470 CA GLN A 89 5.214 -20.371 26.680 1.00 52.31 C ATOM 1471 C GLN A 89 3.806 -19.880 26.256 1.00 11.34 C ATOM 1472 O GLN A 89 3.685 -18.948 25.458 1.00 12.55 O ATOM 1473 CB GLN A 89 5.148 -21.555 27.673 1.00 13.30 C ATOM 1474 CG GLN A 89 4.761 -21.184 29.106 1.00 23.15 C ATOM 1475 CD GLN A 89 4.771 -22.378 30.046 1.00 3.41 C ATOM 1476 OE1 GLN A 89 4.510 -23.506 29.643 1.00 42.32 O ATOM 1477 NE2 GLN A 89 5.064 -22.144 31.309 1.00 71.03 N ATOM 0 H GLN A 89 7.041 -19.357 26.902 1.00 22.23 H new ATOM 0 HA GLN A 89 5.676 -20.716 25.755 1.00 52.31 H new ATOM 0 HB2 GLN A 89 4.430 -22.284 27.297 1.00 13.30 H new ATOM 0 HB3 GLN A 89 6.121 -22.047 27.692 1.00 13.30 H new ATOM 0 HG2 GLN A 89 5.451 -20.427 29.480 1.00 23.15 H new ATOM 0 HG3 GLN A 89 3.767 -20.736 29.105 1.00 23.15 H new ATOM 0 HE21 GLN A 89 5.277 -21.195 31.616 1.00 71.03 H new ATOM 0 HE22 GLN A 89 5.078 -22.912 31.980 1.00 71.03 H new ATOM 1486 N HIS A 90 2.742 -20.516 26.762 1.00 3.44 N ATOM 1487 CA HIS A 90 1.371 -20.174 26.350 1.00 14.20 C ATOM 1488 C HIS A 90 0.523 -19.612 27.507 1.00 34.30 C ATOM 1489 O HIS A 90 -0.706 -19.678 27.469 1.00 52.31 O ATOM 1490 CB HIS A 90 0.694 -21.411 25.745 1.00 25.10 C ATOM 1491 CG HIS A 90 1.346 -21.886 24.480 1.00 14.40 C ATOM 1492 ND1 HIS A 90 0.862 -21.588 23.224 1.00 4.30 N ATOM 1493 CD2 HIS A 90 2.454 -22.640 24.279 1.00 54.11 C ATOM 1494 CE1 HIS A 90 1.639 -22.134 22.313 1.00 23.03 C ATOM 1495 NE2 HIS A 90 2.610 -22.775 22.924 1.00 32.35 N ATOM 0 H HIS A 90 2.801 -21.265 27.452 1.00 3.44 H new ATOM 0 HA HIS A 90 1.442 -19.383 25.603 1.00 14.20 H new ATOM 0 HB2 HIS A 90 0.707 -22.218 26.477 1.00 25.10 H new ATOM 0 HB3 HIS A 90 -0.352 -21.181 25.542 1.00 25.10 H new ATOM 0 HD2 HIS A 90 3.094 -23.056 25.043 1.00 54.11 H new ATOM 0 HE1 HIS A 90 1.502 -22.067 21.244 1.00 23.03 H new ATOM 0 HE2 HIS A 90 3.360 -23.291 22.463 1.00 32.35 H new ATOM 1504 N GLU A 91 1.170 -19.018 28.509 1.00 52.31 N ATOM 1505 CA GLU A 91 0.447 -18.388 29.626 1.00 55.53 C ATOM 1506 C GLU A 91 -0.069 -16.989 29.236 1.00 22.30 C ATOM 1507 O GLU A 91 -0.705 -16.301 30.038 1.00 0.44 O ATOM 1508 CB GLU A 91 1.356 -18.289 30.861 1.00 71.31 C ATOM 1509 CG GLU A 91 2.547 -17.351 30.680 1.00 42.53 C ATOM 1510 CD GLU A 91 3.488 -17.353 31.874 1.00 13.11 C ATOM 1511 OE1 GLU A 91 4.560 -17.992 31.798 1.00 11.12 O ATOM 1512 OE2 GLU A 91 3.164 -16.716 32.895 1.00 70.00 O1- ATOM 0 H GLU A 91 2.186 -18.957 28.575 1.00 52.31 H new ATOM 0 HA GLU A 91 -0.413 -19.014 29.865 1.00 55.53 H new ATOM 0 HB2 GLU A 91 0.763 -17.948 31.710 1.00 71.31 H new ATOM 0 HB3 GLU A 91 1.725 -19.284 31.109 1.00 71.31 H new ATOM 0 HG2 GLU A 91 3.100 -17.642 29.787 1.00 42.53 H new ATOM 0 HG3 GLU A 91 2.183 -16.337 30.513 1.00 42.53 H new ATOM 1519 N ALA A 92 0.201 -16.598 27.987 1.00 74.14 N ATOM 1520 CA ALA A 92 -0.165 -15.277 27.446 1.00 61.12 C ATOM 1521 C ALA A 92 -1.635 -14.886 27.723 1.00 45.01 C ATOM 1522 O ALA A 92 -2.552 -15.542 27.170 1.00 38.03 O ATOM 1523 CB ALA A 92 0.121 -15.246 25.945 1.00 24.42 C ATOM 1524 OXT ALA A 92 -1.866 -13.900 28.466 1.00 38.03 O ATOM 0 H ALA A 92 0.684 -17.192 27.313 1.00 74.14 H new ATOM 0 HA ALA A 92 0.446 -14.538 27.963 1.00 61.12 H new ATOM 0 HB1 ALA A 92 -0.149 -14.269 25.543 1.00 24.42 H new ATOM 0 HB2 ALA A 92 1.182 -15.428 25.773 1.00 24.42 H new ATOM 0 HB3 ALA A 92 -0.465 -16.018 25.447 1.00 24.42 H new TER 1530 ALA A 92