diff --git a/.gitattributes b/.gitattributes index c2549903fc46e91b8ea135a15aa2063c008e85ae..ba86500741f225459d3cc4aa8066e25231b07542 100644 --- a/.gitattributes +++ b/.gitattributes @@ -3,3 +3,5 @@ assays/S1_A2_Protein[[:space:]]Purification[[:space:]]for[[:space:]]structural[[ assays/S1_A3_Size[[:space:]]exclusion[[:space:]]chromatography[[:space:]]of[[:space:]]H-Rrm4-MLLE3/dataset/SEC[[:space:]]profile[[:space:]]of[[:space:]]H-Rrm4-MLLE3[[:space:]](p4704)[[:space:]]13122023[[:space:]]skd[[:space:]]v1.xlsx filter=lfs diff=lfs merge=lfs -text assays/S1_A6_X-ray[[:space:]]structure[[:space:]]of[[:space:]]Rrm4-MLLE3/dataset/Rrm4_MLLE3[[:space:]]-[[:space:]]Upa1_PAM2L1.mtz filter=lfs diff=lfs merge=lfs -text assays/S1_A6_X-ray[[:space:]]structure[[:space:]]of[[:space:]]Rrm4-MLLE3/dataset/Rrm4_MLLE3[[:space:]]-[[:space:]]Upa1_PAM2L2.mtz filter=lfs diff=lfs merge=lfs -text +assays/S2_A1_Structural[[:space:]]analysis[[:space:]]of[[:space:]]MLLE3[[:space:]]of[[:space:]]Rrm4/dataset/M3[[:space:]]with[[:space:]]PL1,2[[:space:]]v2[[:space:]]skd.pse filter=lfs diff=lfs merge=lfs -text +assays/S2_A1_Structural[[:space:]]analysis[[:space:]]of[[:space:]]MLLE3[[:space:]]of[[:space:]]Rrm4/dataset/M3[[:space:]]with[[:space:]]PL1,2.pse filter=lfs diff=lfs merge=lfs -text diff --git a/assays/S2_A1_Structural analysis of MLLE3 of Rrm4/README.md b/assays/S2_A1_Structural analysis of MLLE3 of Rrm4/README.md new file mode 100644 index 0000000000000000000000000000000000000000..e69de29bb2d1d6434b8b29ae775ad8c2e48c5391 diff --git a/assays/S2_A1_Structural analysis of MLLE3 of Rrm4/dataset/.gitkeep b/assays/S2_A1_Structural analysis of MLLE3 of Rrm4/dataset/.gitkeep new file mode 100644 index 0000000000000000000000000000000000000000..e69de29bb2d1d6434b8b29ae775ad8c2e48c5391 diff --git a/assays/S2_A1_Structural analysis of MLLE3 of Rrm4/dataset/M3 with PL1,2 v2 skd.pse b/assays/S2_A1_Structural analysis of MLLE3 of Rrm4/dataset/M3 with PL1,2 v2 skd.pse new file mode 100644 index 0000000000000000000000000000000000000000..ce2bc0904f7591fb9341f9b9c0771f3ff38e5310 --- /dev/null +++ b/assays/S2_A1_Structural analysis of MLLE3 of Rrm4/dataset/M3 with PL1,2 v2 skd.pse @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:970c758614b09420c0e7a46dc0fc6e60b1a1e4f9077eac3139bff99a039925d4 +size 8969167 diff --git a/assays/S2_A1_Structural analysis of MLLE3 of Rrm4/dataset/M3 with PL1,2.pse b/assays/S2_A1_Structural analysis of MLLE3 of Rrm4/dataset/M3 with PL1,2.pse new file mode 100644 index 0000000000000000000000000000000000000000..74311b66f914ae3f1e0917098e673f8f262b1fce --- /dev/null +++ b/assays/S2_A1_Structural analysis of MLLE3 of Rrm4/dataset/M3 with PL1,2.pse @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a9ec15ec524707cb55e086c8e287c464301f27532c39d84e6fc428bd44add720 +size 3276301 diff --git a/assays/S2_A1_Structural analysis of MLLE3 of Rrm4/dataset/M3PL1-pdb.pdb b/assays/S2_A1_Structural analysis of MLLE3 of Rrm4/dataset/M3PL1-pdb.pdb new file mode 100644 index 0000000000000000000000000000000000000000..12ce476cf1ea876eb25980a3390266219cdf6801 --- /dev/null +++ b/assays/S2_A1_Structural analysis of MLLE3 of Rrm4/dataset/M3PL1-pdb.pdb @@ -0,0 +1,1897 @@ +ATOM 1 N HIS A 2 -0.030 17.001 25.279 1.00 65.40 N +ATOM 2 CA HIS A 2 0.725 16.008 26.109 1.00 62.41 C +ATOM 3 C HIS A 2 1.767 15.444 25.126 1.00 60.64 C +ATOM 4 O HIS A 2 2.948 15.628 25.431 1.00 57.05 O +ATOM 5 CB HIS A 2 -0.325 15.084 26.830 1.00 74.47 C +ATOM 6 CG HIS A 2 -1.579 14.931 26.025 1.00 93.15 C +ATOM 7 CD2 HIS A 2 -2.270 13.797 25.742 1.00 95.33 C +ATOM 8 ND1 HIS A 2 -2.517 15.936 25.931 1.00106.33 N +ATOM 9 CE1 HIS A 2 -3.564 15.494 25.254 1.00109.36 C +ATOM 10 NE2 HIS A 2 -3.465 14.181 25.169 1.00106.70 N +ATOM 11 HA HIS A 2 1.241 16.294 26.879 1.00 74.91 H +ATOM 12 HB2 HIS A 2 0.062 14.204 26.962 1.00 89.38 H +ATOM 13 HB3 HIS A 2 -0.558 15.475 27.685 1.00 89.38 H +ATOM 14 HD2 HIS A 2 -1.991 12.925 25.904 1.00114.41 H +ATOM 15 HE1 HIS A 2 -4.248 16.017 24.901 1.00131.25 H +ATOM 16 HE2 HIS A 2 -4.046 13.654 24.816 1.00128.06 H +ATOM 17 N HIS A 3 1.431 14.909 23.944 1.00 50.17 N +ATOM 18 CA HIS A 3 2.516 14.528 23.037 1.00 39.36 C +ATOM 19 C HIS A 3 2.953 15.674 22.152 1.00 41.71 C +ATOM 20 O HIS A 3 2.117 16.437 21.667 1.00 39.42 O +ATOM 21 CB HIS A 3 2.234 13.368 22.072 1.00 39.86 C +ATOM 22 CG HIS A 3 2.088 12.034 22.728 1.00 35.14 C +ATOM 23 CD2 HIS A 3 1.007 11.253 22.955 1.00 36.21 C +ATOM 24 ND1 HIS A 3 3.185 11.235 22.968 1.00 34.38 N +ATOM 25 CE1 HIS A 3 2.790 10.071 23.445 1.00 31.83 C +ATOM 26 NE2 HIS A 3 1.471 10.068 23.480 1.00 36.21 N +ATOM 27 H HIS A 3 0.630 14.766 23.664 1.00 60.22 H +ATOM 28 HA HIS A 3 3.206 14.247 23.658 1.00 47.24 H +ATOM 29 HB2 HIS A 3 1.408 13.554 21.599 1.00 47.85 H +ATOM 30 HB3 HIS A 3 2.970 13.305 21.443 1.00 47.85 H +ATOM 31 HD2 HIS A 3 0.120 11.474 22.788 1.00 43.47 H +ATOM 32 HE1 HIS A 3 3.345 9.374 23.711 1.00 38.21 H +ATOM 33 HE2 HIS A 3 0.981 9.429 23.782 1.00 43.46 H +ATOM 34 N THR A 4 4.263 15.725 21.866 1.00 32.98 N +ATOM 35 CA THR A 4 4.723 16.453 20.698 1.00 33.71 C +ATOM 36 C THR A 4 4.696 15.488 19.513 1.00 32.88 C +ATOM 37 O THR A 4 4.537 14.261 19.677 1.00 29.33 O +ATOM 38 CB THR A 4 6.159 16.914 20.812 1.00 34.25 C +ATOM 39 CG2 THR A 4 6.296 17.968 21.925 1.00 54.72 C +ATOM 40 OG1 THR A 4 6.969 15.787 21.135 1.00 29.86 O +ATOM 41 H THR A 4 4.884 15.352 22.329 1.00 39.59 H +ATOM 42 HA THR A 4 4.153 17.230 20.591 1.00 40.47 H +ATOM 43 HB THR A 4 6.452 17.314 19.978 1.00 41.11 H +ATOM 44 HG1 THR A 4 7.772 15.946 20.947 1.00 35.85 H +ATOM 45 HG21 THR A 4 6.694 17.566 22.714 1.00 65.67 H +ATOM 46 HG22 THR A 4 6.860 18.697 21.624 1.00 65.67 H +ATOM 47 HG23 THR A 4 5.423 18.320 22.158 1.00 65.67 H +ATOM 48 N LEU A 5 4.889 16.016 18.305 1.00 28.35 N +ATOM 49 CA LEU A 5 5.086 15.097 17.180 1.00 28.38 C +ATOM 50 C LEU A 5 6.194 14.081 17.495 1.00 29.04 C +ATOM 51 O LEU A 5 6.092 12.875 17.212 1.00 26.13 O +ATOM 52 CB LEU A 5 5.480 15.857 15.924 1.00 32.20 C +ATOM 53 CG LEU A 5 5.053 15.185 14.598 1.00 30.17 C +ATOM 54 CD1 LEU A 5 3.663 14.712 14.431 1.00 32.33 C +ATOM 55 CD2 LEU A 5 5.500 16.187 13.449 1.00 44.93 C +ATOM 56 H LEU A 5 4.909 16.855 18.117 1.00 34.04 H +ATOM 57 HA LEU A 5 4.244 14.639 17.022 1.00 34.07 H +ATOM 58 HB2 LEU A 5 5.067 16.735 15.954 1.00 38.66 H +ATOM 59 HB3 LEU A 5 6.445 15.946 15.910 1.00 38.66 H +ATOM 60 HG LEU A 5 5.491 14.321 14.563 1.00 36.21 H +ATOM 61 HD11 LEU A 5 3.608 14.167 13.631 1.00 38.80 H +ATOM 62 HD12 LEU A 5 3.413 14.185 15.207 1.00 38.80 H +ATOM 63 HD13 LEU A 5 3.075 15.479 14.350 1.00 38.80 H +ATOM 64 HD21 LEU A 5 5.530 15.708 12.605 1.00 53.93 H +ATOM 65 HD22 LEU A 5 4.859 16.913 13.395 1.00 53.93 H +ATOM 66 HD23 LEU A 5 6.380 16.538 13.660 1.00 53.93 H +ATOM 67 N SER A 6 7.307 14.589 18.019 1.00 29.65 N +ATOM 68 CA SER A 6 8.468 13.751 18.239 1.00 32.85 C +ATOM 69 C SER A 6 8.176 12.639 19.236 1.00 30.37 C +ATOM 70 O SER A 6 8.529 11.482 18.972 1.00 28.92 O +ATOM 71 CB SER A 6 9.662 14.605 18.668 1.00 32.90 C +ATOM 72 OG SER A 6 10.768 13.757 18.863 1.00 43.43 O +ATOM 73 H SER A 6 7.410 15.411 18.253 1.00 35.59 H +ATOM 74 HA SER A 6 8.710 13.322 17.403 1.00 39.43 H +ATOM 75 HB2 SER A 6 9.866 15.252 17.975 1.00 39.50 H +ATOM 76 HB3 SER A 6 9.453 15.062 19.497 1.00 39.50 H +ATOM 77 HG SER A 6 10.734 13.112 18.326 1.00 52.13 H +ATOM 78 N THR A 7 7.500 12.938 20.372 1.00 26.15 N +ATOM 79 CA THR A 7 7.202 11.873 21.329 1.00 22.94 C +ATOM 80 C THR A 7 6.159 10.902 20.781 1.00 26.41 C +ATOM 81 O THR A 7 6.269 9.689 20.998 1.00 26.45 O +ATOM 82 CB THR A 7 6.754 12.417 22.708 1.00 27.99 C +ATOM 83 CG2 THR A 7 7.777 13.479 23.179 1.00 32.68 C +ATOM 84 OG1 THR A 7 5.439 12.982 22.645 1.00 32.27 O +ATOM 85 H THR A 7 7.220 13.721 20.593 1.00 31.39 H +ATOM 86 HA THR A 7 8.031 11.394 21.480 1.00 27.54 H +ATOM 87 HB THR A 7 6.719 11.693 23.353 1.00 33.61 H +ATOM 88 HG1 THR A 7 4.862 12.376 22.722 1.00 38.74 H +ATOM 89 HG21 THR A 7 7.653 13.665 24.123 1.00 39.24 H +ATOM 90 HG22 THR A 7 8.681 13.155 23.038 1.00 39.24 H +ATOM 91 HG23 THR A 7 7.657 14.302 22.678 1.00 39.24 H +ATOM 92 N LEU A 8 5.151 11.401 20.061 1.00 27.75 N +ATOM 93 CA LEU A 8 4.198 10.493 19.415 1.00 21.56 C +ATOM 94 C LEU A 8 4.894 9.539 18.455 1.00 23.03 C +ATOM 95 O LEU A 8 4.630 8.329 18.470 1.00 23.75 O +ATOM 96 CB LEU A 8 3.140 11.269 18.656 1.00 23.87 C +ATOM 97 CG LEU A 8 1.956 10.486 18.092 1.00 26.67 C +ATOM 98 CD1 LEU A 8 1.259 9.596 19.107 1.00 24.65 C +ATOM 99 CD2 LEU A 8 0.986 11.509 17.413 1.00 31.69 C +ATOM 100 H LEU A 8 4.999 12.238 19.934 1.00 33.31 H +ATOM 101 HA LEU A 8 3.767 9.980 20.116 1.00 25.88 H +ATOM 102 HB2 LEU A 8 2.773 11.936 19.258 1.00 28.65 H +ATOM 103 HB3 LEU A 8 3.572 11.703 17.904 1.00 28.65 H +ATOM 104 HG LEU A 8 2.276 9.849 17.433 1.00 32.02 H +ATOM 105 HD11 LEU A 8 0.519 9.144 18.674 1.00 29.59 H +ATOM 106 HD12 LEU A 8 1.894 8.945 19.444 1.00 29.59 H +ATOM 107 HD13 LEU A 8 0.931 10.146 19.835 1.00 29.59 H +ATOM 108 HD21 LEU A 8 0.247 11.025 17.012 1.00 38.04 H +ATOM 109 HD22 LEU A 8 0.654 12.123 18.087 1.00 38.04 H +ATOM 110 HD23 LEU A 8 1.471 11.998 16.730 1.00 38.04 H +ATOM 111 N ALA A 9 5.821 10.062 17.638 1.00 22.43 N +ATOM 112 CA ALA A 9 6.520 9.280 16.607 1.00 22.53 C +ATOM 113 C ALA A 9 7.424 8.205 17.172 1.00 22.31 C +ATOM 114 O ALA A 9 7.780 7.260 16.450 1.00 22.71 O +ATOM 115 CB ALA A 9 7.341 10.244 15.712 1.00 22.24 C +ATOM 116 H ALA A 9 6.070 10.885 17.661 1.00 26.93 H +ATOM 117 HA ALA A 9 5.857 8.826 16.061 1.00 27.05 H +ATOM 118 HB1 ALA A 9 7.859 9.723 15.079 1.00 26.70 H +ATOM 119 HB2 ALA A 9 6.731 10.830 15.236 1.00 26.70 H +ATOM 120 HB3 ALA A 9 7.933 10.768 16.272 1.00 26.70 H +ATOM 121 N ALA A 10 7.776 8.312 18.456 1.00 22.71 N +ATOM 122 CA ALA A 10 8.578 7.314 19.117 1.00 23.69 C +ATOM 123 C ALA A 10 7.763 6.096 19.529 1.00 21.53 C +ATOM 124 O ALA A 10 8.361 5.116 19.953 1.00 22.80 O +ATOM 125 CB ALA A 10 9.280 7.947 20.343 1.00 24.44 C +ATOM 126 H ALA A 10 7.554 8.970 18.965 1.00 27.26 H +ATOM 127 HA ALA A 10 9.273 7.002 18.517 1.00 28.44 H +ATOM 128 HB1 ALA A 10 9.709 7.246 20.859 1.00 29.34 H +ATOM 129 HB2 ALA A 10 9.944 8.584 20.034 1.00 29.34 H +ATOM 130 HB3 ALA A 10 8.617 8.400 20.888 1.00 29.34 H +ATOM 131 N LEU A 11 6.440 6.152 19.478 1.00 21.16 N +ATOM 132 CA LEU A 11 5.619 5.007 19.787 1.00 20.14 C +ATOM 133 C LEU A 11 5.512 4.126 18.546 1.00 21.24 C +ATOM 134 O LEU A 11 5.648 4.624 17.420 1.00 21.02 O +ATOM 135 CB LEU A 11 4.225 5.445 20.197 1.00 19.83 C +ATOM 136 CG LEU A 11 4.082 6.332 21.431 1.00 23.21 C +ATOM 137 CD1 LEU A 11 2.654 6.750 21.567 1.00 27.52 C +ATOM 138 CD2 LEU A 11 4.623 5.560 22.649 1.00 31.51 C +ATOM 139 H LEU A 11 5.992 6.854 19.264 1.00 25.40 H +ATOM 140 HA LEU A 11 6.004 4.502 20.520 1.00 24.18 H +ATOM 141 HB2 LEU A 11 3.843 5.938 19.455 1.00 23.81 H +ATOM 142 HB3 LEU A 11 3.704 4.645 20.368 1.00 23.81 H +ATOM 143 HG LEU A 11 4.598 7.151 21.365 1.00 27.87 H +ATOM 144 HD11 LEU A 11 2.429 6.802 22.509 1.00 33.04 H +ATOM 145 HD12 LEU A 11 2.538 7.619 21.151 1.00 33.04 H +ATOM 146 HD13 LEU A 11 2.090 6.095 21.127 1.00 33.04 H +ATOM 147 HD21 LEU A 11 4.334 6.007 23.461 1.00 37.83 H +ATOM 148 HD22 LEU A 11 4.276 4.654 22.629 1.00 37.83 H +ATOM 149 HD23 LEU A 11 5.592 5.544 22.609 1.00 37.83 H +ATOM 150 N PRO A 12 5.252 2.838 18.739 1.00 20.66 N +ATOM 151 CA PRO A 12 4.960 1.976 17.581 1.00 18.99 C +ATOM 152 C PRO A 12 3.797 2.537 16.769 1.00 21.67 C +ATOM 153 O PRO A 12 2.839 3.096 17.311 1.00 19.28 O +ATOM 154 CB PRO A 12 4.593 0.617 18.199 1.00 22.34 C +ATOM 155 CG PRO A 12 5.148 0.678 19.661 1.00 23.78 C +ATOM 156 CD PRO A 12 5.055 2.152 20.041 1.00 25.95 C +ATOM 157 HA PRO A 12 5.748 1.873 17.025 1.00 22.80 H +ATOM 158 HB2 PRO A 12 3.631 0.502 18.198 1.00 26.82 H +ATOM 159 HB3 PRO A 12 5.014 -0.099 17.697 1.00 26.82 H +ATOM 160 HG2 PRO A 12 4.601 0.131 20.247 1.00 28.55 H +ATOM 161 HG3 PRO A 12 6.067 0.369 19.681 1.00 28.55 H +ATOM 162 HD2 PRO A 12 4.185 2.360 20.415 1.00 31.15 H +ATOM 163 HD3 PRO A 12 5.753 2.392 20.670 1.00 31.15 H +ATOM 164 N ALA A 13 3.823 2.267 15.464 1.00 22.68 N +ATOM 165 CA ALA A 13 2.734 2.705 14.589 1.00 19.05 C +ATOM 166 C ALA A 13 1.371 2.251 15.093 1.00 17.22 C +ATOM 167 O ALA A 13 0.387 3.003 15.025 1.00 21.25 O +ATOM 168 CB ALA A 13 2.951 2.174 13.154 1.00 19.96 C +ATOM 169 H ALA A 13 4.449 1.836 15.063 1.00 27.23 H +ATOM 170 HA ALA A 13 2.747 3.675 14.572 1.00 22.87 H +ATOM 171 HB1 ALA A 13 2.343 2.631 12.553 1.00 23.96 H +ATOM 172 HB2 ALA A 13 3.868 2.344 12.889 1.00 23.96 H +ATOM 173 HB3 ALA A 13 2.775 1.220 13.141 1.00 23.96 H +ATOM 174 N ALA A 14 1.271 0.997 15.545 1.00 17.40 N +ATOM 175 CA ALA A 14 -0.026 0.492 15.983 1.00 21.36 C +ATOM 176 C ALA A 14 -0.589 1.326 17.133 1.00 22.63 C +ATOM 177 O ALA A 14 -1.817 1.503 17.251 1.00 19.47 O +ATOM 178 CB ALA A 14 0.088 -0.989 16.392 1.00 24.93 C +ATOM 179 H ALA A 14 1.920 0.438 15.606 1.00 20.90 H +ATOM 180 HA ALA A 14 -0.649 0.543 15.241 1.00 25.64 H +ATOM 181 HB1 ALA A 14 -0.750 -1.273 16.787 1.00 29.93 H +ATOM 182 HB2 ALA A 14 0.279 -1.520 15.603 1.00 29.93 H +ATOM 183 HB3 ALA A 14 0.807 -1.084 17.036 1.00 29.93 H +ATOM 184 N GLU A 15 0.295 1.831 17.998 1.00 20.00 N +ATOM 185 CA GLU A 15 -0.135 2.625 19.150 1.00 21.68 C +ATOM 186 C GLU A 15 -0.473 4.054 18.740 1.00 22.39 C +ATOM 187 O GLU A 15 -1.437 4.638 19.254 1.00 22.84 O +ATOM 188 CB GLU A 15 0.984 2.586 20.187 1.00 25.42 C +ATOM 189 CG GLU A 15 1.041 1.191 20.942 1.00 29.90 C +ATOM 190 CD GLU A 15 -0.331 0.727 21.465 1.00 36.26 C +ATOM 191 OE1 GLU A 15 -0.917 1.575 22.198 1.00 25.21 O +ATOM 192 OE2 GLU A 15 -0.762 -0.473 21.246 1.00 26.29 O1- +ATOM 193 H GLU A 15 1.146 1.728 17.940 1.00 24.01 H +ATOM 194 HA GLU A 15 -0.938 2.253 19.548 1.00 26.03 H +ATOM 195 HB2 GLU A 15 1.835 2.727 19.742 1.00 30.52 H +ATOM 196 HB3 GLU A 15 0.834 3.283 20.844 1.00 30.52 H +ATOM 197 HG2 GLU A 15 1.371 0.514 20.330 1.00 35.89 H +ATOM 198 HG3 GLU A 15 1.638 1.269 21.702 1.00 35.89 H +ATOM 199 N ILE A 16 0.263 4.593 17.759 1.00 20.35 N +ATOM 200 CA ILE A 16 -0.062 5.910 17.231 1.00 17.12 C +ATOM 201 C ILE A 16 -1.465 5.877 16.641 1.00 26.42 C +ATOM 202 O ILE A 16 -2.310 6.747 16.911 1.00 22.97 O +ATOM 203 CB ILE A 16 0.965 6.362 16.170 1.00 21.28 C +ATOM 204 CG1 ILE A 16 2.360 6.518 16.764 1.00 20.18 C +ATOM 205 CG2 ILE A 16 0.482 7.613 15.466 1.00 22.43 C +ATOM 206 CD1 ILE A 16 3.488 6.759 15.659 1.00 22.73 C +ATOM 207 H ILE A 16 0.944 4.219 17.390 1.00 24.43 H +ATOM 208 HA ILE A 16 -0.029 6.550 17.960 1.00 20.55 H +ATOM 209 HB ILE A 16 1.040 5.662 15.502 1.00 25.55 H +ATOM 210 HG12 ILE A 16 2.362 7.279 17.364 1.00 24.22 H +ATOM 211 HG13 ILE A 16 2.587 5.710 17.251 1.00 24.22 H +ATOM 212 HG21 ILE A 16 0.344 8.313 16.125 1.00 26.93 H +ATOM 213 HG22 ILE A 16 1.152 7.893 14.822 1.00 26.93 H +ATOM 214 HG23 ILE A 16 -0.352 7.418 15.012 1.00 26.93 H +ATOM 215 HD11 ILE A 16 4.358 6.595 16.055 1.00 27.29 H +ATOM 216 HD12 ILE A 16 3.341 6.149 14.920 1.00 27.29 H +ATOM 217 HD13 ILE A 16 3.433 7.677 15.347 1.00 27.29 H +ATOM 218 N VAL A 17 -1.740 4.839 15.850 1.00 21.44 N +ATOM 219 CA VAL A 17 -3.060 4.704 15.240 1.00 22.09 C +ATOM 220 C VAL A 17 -4.144 4.427 16.285 1.00 23.35 C +ATOM 221 O VAL A 17 -5.269 4.930 16.170 1.00 23.83 O +ATOM 222 CB VAL A 17 -3.024 3.620 14.145 1.00 23.09 C +ATOM 223 CG1 VAL A 17 -4.442 3.313 13.616 1.00 27.42 C +ATOM 224 CG2 VAL A 17 -2.129 4.067 12.977 1.00 24.60 C +ATOM 225 H VAL A 17 -1.190 4.209 15.653 1.00 25.75 H +ATOM 226 HA VAL A 17 -3.285 5.553 14.827 1.00 26.53 H +ATOM 227 HB VAL A 17 -2.660 2.812 14.536 1.00 27.72 H +ATOM 228 HG11 VAL A 17 -4.369 2.768 12.818 1.00 32.91 H +ATOM 229 HG12 VAL A 17 -4.936 2.836 14.299 1.00 32.91 H +ATOM 230 HG13 VAL A 17 -4.888 4.149 13.406 1.00 32.91 H +ATOM 231 HG21 VAL A 17 -2.128 3.375 12.297 1.00 29.53 H +ATOM 232 HG22 VAL A 17 -2.478 4.893 12.608 1.00 29.53 H +ATOM 233 HG23 VAL A 17 -1.227 4.208 13.307 1.00 29.53 H +ATOM 234 N ARG A 18 -3.867 3.570 17.268 1.00 24.55 N +ATOM 235 CA ARG A 18 -4.843 3.385 18.334 1.00 24.27 C +ATOM 236 C ARG A 18 -5.229 4.725 18.959 1.00 24.28 C +ATOM 237 O ARG A 18 -6.406 5.002 19.143 1.00 24.75 O +ATOM 238 CB ARG A 18 -4.301 2.401 19.358 1.00 24.67 C +ATOM 239 CG ARG A 18 -5.234 2.192 20.573 1.00 24.79 C +ATOM 240 CD ARG A 18 -4.562 1.312 21.613 1.00 30.05 C +ATOM 241 NE ARG A 18 -5.386 1.139 22.813 1.00 23.15 N +ATOM 242 CZ ARG A 18 -6.426 0.317 22.889 1.00 27.32 C +ATOM 243 NH1 ARG A 18 -6.772 -0.465 21.865 1.00 30.05 N1+ +ATOM 244 NH2 ARG A 18 -7.139 0.283 24.021 1.00 30.04 N +ATOM 245 H ARG A 18 -3.148 3.104 17.338 1.00 29.47 H +ATOM 246 HA ARG A 18 -5.657 2.999 17.974 1.00 29.14 H +ATOM 247 HB2 ARG A 18 -4.176 1.541 18.929 1.00 29.62 H +ATOM 248 HB3 ARG A 18 -3.452 2.732 19.691 1.00 29.62 H +ATOM 249 HG2 ARG A 18 -5.438 3.049 20.978 1.00 29.77 H +ATOM 250 HG3 ARG A 18 -6.052 1.758 20.283 1.00 29.77 H +ATOM 251 HD2 ARG A 18 -4.400 0.435 21.231 1.00 36.08 H +ATOM 252 HD3 ARG A 18 -3.723 1.719 21.880 1.00 36.08 H +ATOM 253 HE ARG A 18 -5.183 1.598 23.511 1.00 27.80 H +ATOM 254 HH11 ARG A 18 -6.317 -0.445 21.135 1.00 36.07 H +ATOM 255 HH12 ARG A 18 -7.450 -0.991 21.935 1.00 36.07 H +ATOM 256 HH21 ARG A 18 -6.921 0.787 24.682 1.00 36.07 H +ATOM 257 HH22 ARG A 18 -7.816 -0.244 24.086 1.00 36.07 H +ATOM 258 N LEU A 19 -4.256 5.577 19.265 1.00 23.92 N +ATOM 259 CA LEU A 19 -4.554 6.862 19.898 1.00 26.99 C +ATOM 260 C LEU A 19 -5.336 7.779 18.961 1.00 30.74 C +ATOM 261 O LEU A 19 -6.290 8.447 19.385 1.00 26.72 O +ATOM 262 CB LEU A 19 -3.241 7.506 20.281 1.00 24.58 C +ATOM 263 CG LEU A 19 -2.476 6.870 21.427 1.00 28.16 C +ATOM 264 CD1 LEU A 19 -1.183 7.616 21.578 1.00 26.06 C +ATOM 265 CD2 LEU A 19 -3.275 6.915 22.700 1.00 38.24 C +ATOM 266 H LEU A 19 -3.419 5.439 19.120 1.00 28.72 H +ATOM 267 HA LEU A 19 -5.097 6.722 20.690 1.00 32.40 H +ATOM 268 HB2 LEU A 19 -2.660 7.484 19.505 1.00 29.51 H +ATOM 269 HB3 LEU A 19 -3.421 8.425 20.535 1.00 29.51 H +ATOM 270 HG LEU A 19 -2.301 5.933 21.245 1.00 33.80 H +ATOM 271 HD11 LEU A 19 -1.090 7.904 22.501 1.00 31.28 H +ATOM 272 HD12 LEU A 19 -0.449 7.029 21.340 1.00 31.28 H +ATOM 273 HD13 LEU A 19 -1.193 8.389 20.991 1.00 31.28 H +ATOM 274 HD21 LEU A 19 -3.063 6.134 23.234 1.00 45.91 H +ATOM 275 HD22 LEU A 19 -3.045 7.721 23.188 1.00 45.91 H +ATOM 276 HD23 LEU A 19 -4.220 6.920 22.480 1.00 45.91 H +ATOM 277 N ALA A 20 -4.943 7.822 17.687 1.00 24.42 N +ATOM 278 CA ALA A 20 -5.659 8.616 16.686 1.00 27.02 C +ATOM 279 C ALA A 20 -7.128 8.220 16.645 1.00 31.26 C +ATOM 280 O ALA A 20 -8.011 9.054 16.414 1.00 33.29 O +ATOM 281 CB ALA A 20 -5.031 8.429 15.285 1.00 27.05 C +ATOM 282 H ALA A 20 -4.261 7.401 17.373 1.00 29.32 H +ATOM 283 HA ALA A 20 -5.582 9.554 16.924 1.00 32.44 H +ATOM 284 HB1 ALA A 20 -4.509 9.217 15.066 1.00 32.47 H +ATOM 285 HB2 ALA A 20 -4.461 7.646 15.297 1.00 32.47 H +ATOM 286 HB3 ALA A 20 -5.742 8.312 14.635 1.00 32.47 H +ATOM 287 N ASN A 21 -7.400 6.937 16.798 1.00 27.41 N +ATOM 288 CA ASN A 21 -8.748 6.452 16.631 1.00 26.65 C +ATOM 289 C ASN A 21 -9.561 6.494 17.909 1.00 35.08 C +ATOM 290 O ASN A 21 -10.749 6.178 17.861 1.00 36.09 O +ATOM 291 CB ASN A 21 -8.743 5.020 16.145 1.00 28.81 C +ATOM 292 CG ASN A 21 -8.316 4.918 14.704 1.00 27.21 C +ATOM 293 ND2 ASN A 21 -7.950 3.729 14.288 1.00 27.55 N +ATOM 294 OD1 ASN A 21 -8.299 5.921 13.981 1.00 31.97 O +ATOM 295 H ASN A 21 -6.822 6.333 16.998 1.00 32.91 H +ATOM 296 HA ASN A 21 -9.176 7.010 15.963 1.00 31.99 H +ATOM 297 HB2 ASN A 21 -8.124 4.502 16.684 1.00 34.59 H +ATOM 298 HB3 ASN A 21 -9.637 4.653 16.224 1.00 34.59 H +ATOM 299 HD21 ASN A 21 -7.697 3.619 13.473 1.00 33.07 H +ATOM 300 HD22 ASN A 21 -7.962 3.062 14.831 1.00 33.07 H +ATOM 301 N SER A 22 -8.961 6.836 19.036 1.00 33.45 N +ATOM 302 CA SER A 22 -9.703 6.829 20.297 1.00 41.30 C +ATOM 303 C SER A 22 -10.479 8.166 20.396 1.00 39.33 C +ATOM 304 O SER A 22 -9.930 9.220 20.060 1.00 49.31 O +ATOM 305 CB SER A 22 -8.766 6.637 21.489 1.00 38.59 C +ATOM 306 OG SER A 22 -9.324 7.285 22.612 1.00 61.61 O +ATOM 307 H SER A 22 -8.138 7.073 19.102 1.00 40.15 H +ATOM 308 HA SER A 22 -10.325 6.086 20.334 1.00 49.57 H +ATOM 309 HB2 SER A 22 -8.668 5.691 21.676 1.00 46.33 H +ATOM 310 HB3 SER A 22 -7.901 7.027 21.286 1.00 46.33 H +ATOM 311 HG SER A 22 -10.013 7.710 22.388 1.00 73.95 H +ATOM 312 N SER A 26 -8.827 15.115 20.634 1.00 30.00 N +ATOM 313 CA SER A 26 -7.882 14.482 21.589 1.00 30.00 C +ATOM 314 C SER A 26 -6.789 15.485 21.942 1.00 30.00 C +ATOM 315 O SER A 26 -6.328 15.446 23.091 1.00 30.00 O +ATOM 316 CB SER A 26 -7.282 13.235 20.993 1.00 30.00 C +ATOM 317 OG SER A 26 -6.936 13.426 19.631 1.00 30.00 O +ATOM 318 N GLY A 27 -6.405 16.345 20.996 1.00 54.64 N +ATOM 319 CA GLY A 27 -5.268 17.279 21.178 1.00 53.20 C +ATOM 320 C GLY A 27 -4.007 16.601 20.660 1.00 42.87 C +ATOM 321 O GLY A 27 -2.925 17.210 20.742 1.00 45.58 O +ATOM 322 H GLY A 27 -6.834 16.375 20.171 1.00 65.58 H +ATOM 323 HA2 GLY A 27 -5.426 18.137 20.677 1.00 63.86 H +ATOM 324 HA3 GLY A 27 -5.159 17.516 22.140 1.00 63.86 H +ATOM 325 N LEU A 28 -4.122 15.372 20.135 1.00 41.93 N +ATOM 326 CA LEU A 28 -2.966 14.708 19.547 1.00 36.80 C +ATOM 327 C LEU A 28 -2.475 15.482 18.331 1.00 35.89 C +ATOM 328 O LEU A 28 -3.283 15.952 17.530 1.00 36.80 O +ATOM 329 CB LEU A 28 -3.367 13.297 19.138 1.00 42.34 C +ATOM 330 CG LEU A 28 -3.485 12.259 20.246 1.00 51.82 C +ATOM 331 CD1 LEU A 28 -4.227 11.019 19.723 1.00 57.12 C +ATOM 332 CD2 LEU A 28 -2.145 11.836 20.761 1.00 39.49 C +ATOM 333 H LEU A 28 -4.846 14.909 20.120 1.00 50.34 H +ATOM 334 HA LEU A 28 -2.237 14.664 20.186 1.00 44.17 H +ATOM 335 HB2 LEU A 28 -4.234 13.347 18.705 1.00 50.82 H +ATOM 336 HB3 LEU A 28 -2.703 12.968 18.513 1.00 50.82 H +ATOM 337 HG LEU A 28 -3.978 12.660 20.979 1.00 62.20 H +ATOM 338 HD11 LEU A 28 -4.609 10.539 20.473 1.00 68.55 H +ATOM 339 HD12 LEU A 28 -4.930 11.303 19.119 1.00 68.55 H +ATOM 340 HD13 LEU A 28 -3.597 10.450 19.253 1.00 68.55 H +ATOM 341 HD21 LEU A 28 -2.264 11.104 21.387 1.00 47.40 H +ATOM 342 HD22 LEU A 28 -1.597 11.546 20.014 1.00 47.40 H +ATOM 343 HD23 LEU A 28 -1.726 12.588 21.207 1.00 47.40 H +ATOM 344 N PRO A 29 -1.180 15.615 18.154 1.00 36.80 N +ATOM 345 CA PRO A 29 -0.688 16.307 16.957 1.00 35.23 C +ATOM 346 C PRO A 29 -0.843 15.495 15.671 1.00 32.70 C +ATOM 347 O PRO A 29 0.137 15.186 14.991 1.00 35.85 O +ATOM 348 CB PRO A 29 0.789 16.587 17.300 1.00 39.12 C +ATOM 349 CG PRO A 29 1.156 15.479 18.261 1.00 36.23 C +ATOM 350 CD PRO A 29 -0.092 15.157 19.045 1.00 36.94 C +ATOM 351 HA PRO A 29 -1.156 17.149 16.842 1.00 42.29 H +ATOM 352 HB2 PRO A 29 1.331 16.550 16.498 1.00 46.95 H +ATOM 353 HB3 PRO A 29 0.875 17.458 17.719 1.00 46.95 H +ATOM 354 HG2 PRO A 29 1.453 14.703 17.762 1.00 43.49 H +ATOM 355 HG3 PRO A 29 1.860 15.783 18.853 1.00 43.49 H +ATOM 356 HD2 PRO A 29 -0.160 14.203 19.210 1.00 44.34 H +ATOM 357 HD3 PRO A 29 -0.107 15.642 19.885 1.00 44.34 H +ATOM 358 N LEU A 30 -2.073 15.138 15.327 1.00 30.92 N +ATOM 359 CA LEU A 30 -2.417 14.456 14.093 1.00 30.85 C +ATOM 360 C LEU A 30 -3.603 15.118 13.398 1.00 30.75 C +ATOM 361 O LEU A 30 -4.520 15.608 14.059 1.00 34.12 O +ATOM 362 CB LEU A 30 -2.760 12.980 14.340 1.00 27.08 C +ATOM 363 CG LEU A 30 -1.681 12.102 14.973 1.00 32.48 C +ATOM 364 CD1 LEU A 30 -2.254 10.724 15.303 1.00 35.97 C +ATOM 365 CD2 LEU A 30 -0.535 12.026 14.010 1.00 30.38 C +ATOM 366 H LEU A 30 -2.761 15.291 15.821 1.00 37.12 H +ATOM 367 HA LEU A 30 -1.652 14.511 13.500 1.00 37.03 H +ATOM 368 HB2 LEU A 30 -3.530 12.948 14.928 1.00 32.51 H +ATOM 369 HB3 LEU A 30 -2.981 12.579 13.484 1.00 32.51 H +ATOM 370 HG LEU A 30 -1.361 12.471 15.812 1.00 38.99 H +ATOM 371 HD11 LEU A 30 -1.522 10.099 15.424 1.00 43.18 H +ATOM 372 HD12 LEU A 30 -2.775 10.786 16.119 1.00 43.18 H +ATOM 373 HD13 LEU A 30 -2.819 10.434 14.571 1.00 43.18 H +ATOM 374 HD21 LEU A 30 -0.322 11.094 13.846 1.00 36.47 H +ATOM 375 HD22 LEU A 30 -0.790 12.459 13.181 1.00 36.47 H +ATOM 376 HD23 LEU A 30 0.232 12.478 14.396 1.00 36.47 H +ATOM 377 N PRO A 31 -3.635 15.084 12.067 1.00 27.67 N +ATOM 378 CA PRO A 31 -4.836 15.491 11.338 1.00 28.67 C +ATOM 379 C PRO A 31 -5.939 14.439 11.400 1.00 32.44 C +ATOM 380 O PRO A 31 -5.704 13.242 11.645 1.00 30.05 O +ATOM 381 CB PRO A 31 -4.310 15.681 9.907 1.00 24.93 C +ATOM 382 CG PRO A 31 -3.285 14.649 9.799 1.00 30.29 C +ATOM 383 CD PRO A 31 -2.590 14.601 11.147 1.00 33.04 C +ATOM 384 HA PRO A 31 -5.187 16.330 11.677 1.00 34.42 H +ATOM 385 HB2 PRO A 31 -5.021 15.542 9.263 1.00 29.93 H +ATOM 386 HB3 PRO A 31 -3.933 16.568 9.799 1.00 29.93 H +ATOM 387 HG2 PRO A 31 -3.702 13.796 9.598 1.00 36.36 H +ATOM 388 HG3 PRO A 31 -2.658 14.885 9.099 1.00 36.36 H +ATOM 389 HD2 PRO A 31 -2.323 13.695 11.369 1.00 39.66 H +ATOM 390 HD3 PRO A 31 -1.817 15.188 11.161 1.00 39.66 H +ATOM 391 N LYS A 32 -7.177 14.928 11.229 1.00 31.50 N +ATOM 392 CA LYS A 32 -8.323 14.034 11.050 1.00 28.43 C +ATOM 393 C LYS A 32 -8.149 13.259 9.745 1.00 27.75 C +ATOM 394 O LYS A 32 -8.083 13.862 8.677 1.00 28.79 O +ATOM 395 CB LYS A 32 -9.661 14.812 11.030 1.00 31.85 C +ATOM 396 CG LYS A 32 -10.273 15.277 12.475 1.00 49.54 C +ATOM 397 CD LYS A 32 -10.318 14.097 13.508 1.00 48.23 C +ATOM 398 CE LYS A 32 -11.760 13.783 14.160 1.00 60.58 C +ATOM 399 NZ LYS A 32 -12.472 14.693 15.069 1.00 63.81 N1+ +ATOM 400 H LYS A 32 -7.374 15.765 11.215 1.00 37.82 H +ATOM 401 HA LYS A 32 -8.358 13.418 11.800 1.00 34.13 H +ATOM 402 HB2 LYS A 32 -9.530 15.618 10.507 1.00 38.24 H +ATOM 403 HB3 LYS A 32 -10.329 14.249 10.609 1.00 38.24 H +ATOM 404 HG2 LYS A 32 -9.717 15.981 12.844 1.00 59.46 H +ATOM 405 HG3 LYS A 32 -11.178 15.601 12.347 1.00 59.46 H +ATOM 406 HD2 LYS A 32 -10.024 13.289 13.060 1.00 57.88 H +ATOM 407 HD3 LYS A 32 -9.715 14.310 14.238 1.00 57.88 H +ATOM 408 HE2 LYS A 32 -12.370 13.645 13.418 1.00 72.71 H +ATOM 409 HE3 LYS A 32 -11.657 12.959 14.661 1.00 72.71 H +ATOM 410 HZ1 LYS A 32 -13.259 14.345 15.294 1.00 76.58 H +ATOM 411 HZ2 LYS A 32 -11.992 14.822 15.807 1.00 76.58 H +ATOM 412 HZ3 LYS A 32 -12.605 15.478 14.671 1.00 76.58 H +ATOM 413 N ALA A 33 -8.147 11.932 9.795 1.00 24.17 N +ATOM 414 CA ALA A 33 -7.927 11.162 8.572 1.00 24.62 C +ATOM 415 C ALA A 33 -9.157 11.187 7.674 1.00 23.43 C +ATOM 416 O ALA A 33 -10.283 11.359 8.144 1.00 32.38 O +ATOM 417 CB ALA A 33 -7.606 9.699 8.881 1.00 30.09 C +ATOM 418 H ALA A 33 -8.268 11.463 10.506 1.00 29.02 H +ATOM 419 HA ALA A 33 -7.174 11.562 8.108 1.00 29.56 H +ATOM 420 HB1 ALA A 33 -7.665 9.559 9.838 1.00 36.12 H +ATOM 421 HB2 ALA A 33 -8.245 9.132 8.423 1.00 36.12 H +ATOM 422 HB3 ALA A 33 -6.708 9.502 8.573 1.00 36.12 H +ATOM 423 N ASP A 34 -8.929 10.992 6.375 1.00 24.64 N +ATOM 424 CA ASP A 34 -10.006 10.880 5.381 1.00 27.59 C +ATOM 425 C ASP A 34 -10.541 9.453 5.325 1.00 30.97 C +ATOM 426 O ASP A 34 -9.776 8.525 5.033 1.00 31.31 O +ATOM 427 CB ASP A 34 -9.479 11.301 4.012 1.00 34.72 C +ATOM 428 CG ASP A 34 -10.461 11.030 2.896 1.00 40.93 C +ATOM 429 OD1 ASP A 34 -11.656 10.816 3.164 1.00 46.98 O +ATOM 430 OD2 ASP A 34 -10.014 10.929 1.744 1.00 49.55 O1- +ATOM 431 H ASP A 34 -8.143 10.919 6.033 1.00 29.58 H +ATOM 432 HA ASP A 34 -10.744 11.458 5.630 1.00 33.12 H +ATOM 433 HB2 ASP A 34 -9.295 12.254 4.024 1.00 41.68 H +ATOM 434 HB3 ASP A 34 -8.666 10.809 3.822 1.00 41.68 H +ATOM 435 N PRO A 35 -11.838 9.226 5.555 1.00 33.07 N +ATOM 436 CA PRO A 35 -12.281 7.834 5.654 1.00 28.32 C +ATOM 437 C PRO A 35 -12.114 7.060 4.370 1.00 32.52 C +ATOM 438 O PRO A 35 -11.910 5.855 4.449 1.00 29.36 O +ATOM 439 CB PRO A 35 -13.757 7.918 6.047 1.00 39.25 C +ATOM 440 CG PRO A 35 -14.077 9.333 6.190 1.00 43.30 C +ATOM 441 CD PRO A 35 -12.863 10.186 6.000 1.00 34.48 C +ATOM 442 HA PRO A 35 -11.791 7.405 6.374 1.00 34.00 H +ATOM 443 HB2 PRO A 35 -14.298 7.515 5.350 1.00 47.12 H +ATOM 444 HB3 PRO A 35 -13.895 7.451 6.886 1.00 47.12 H +ATOM 445 HG2 PRO A 35 -14.743 9.564 5.522 1.00 51.97 H +ATOM 446 HG3 PRO A 35 -14.437 9.476 7.079 1.00 51.97 H +ATOM 447 HD2 PRO A 35 -13.018 10.862 5.322 1.00 41.39 H +ATOM 448 HD3 PRO A 35 -12.602 10.606 6.834 1.00 41.39 H +ATOM 449 N ALA A 36 -12.241 7.682 3.192 1.00 28.06 N +ATOM 450 CA ALA A 36 -12.050 6.916 1.964 1.00 34.83 C +ATOM 451 C ALA A 36 -10.605 6.443 1.860 1.00 28.50 C +ATOM 452 O ALA A 36 -10.341 5.339 1.379 1.00 29.25 O +ATOM 453 CB ALA A 36 -12.428 7.751 0.732 1.00 37.73 C +ATOM 454 H ALA A 36 -12.432 8.514 3.085 1.00 33.69 H +ATOM 455 HA ALA A 36 -12.637 6.145 1.980 1.00 41.81 H +ATOM 456 HB1 ALA A 36 -13.369 7.984 0.786 1.00 45.29 H +ATOM 457 HB2 ALA A 36 -11.888 8.556 0.718 1.00 45.29 H +ATOM 458 HB3 ALA A 36 -12.262 7.226 -0.068 1.00 45.29 H +ATOM 459 N THR A 37 -9.658 7.281 2.296 1.00 29.04 N +ATOM 460 CA THR A 37 -8.253 6.890 2.337 1.00 29.29 C +ATOM 461 C THR A 37 -8.051 5.741 3.316 1.00 22.38 C +ATOM 462 O THR A 37 -7.403 4.737 2.997 1.00 25.30 O +ATOM 463 CB THR A 37 -7.420 8.102 2.732 1.00 30.51 C +ATOM 464 CG2 THR A 37 -5.934 7.721 2.872 1.00 26.13 C +ATOM 465 OG1 THR A 37 -7.617 9.123 1.737 1.00 30.58 O +ATOM 466 H THR A 37 -9.807 8.082 2.572 1.00 34.86 H +ATOM 467 HA THR A 37 -7.960 6.590 1.463 1.00 35.16 H +ATOM 468 HB THR A 37 -7.693 8.447 3.597 1.00 36.62 H +ATOM 469 HG1 THR A 37 -7.200 9.820 1.953 1.00 36.71 H +ATOM 470 HG21 THR A 37 -5.388 8.522 2.913 1.00 31.37 H +ATOM 471 HG22 THR A 37 -5.798 7.206 3.684 1.00 31.37 H +ATOM 472 HG23 THR A 37 -5.654 7.189 2.112 1.00 31.37 H +ATOM 473 N VAL A 38 -8.645 5.848 4.506 1.00 24.52 N +ATOM 474 CA VAL A 38 -8.520 4.767 5.478 1.00 27.13 C +ATOM 475 C VAL A 38 -9.023 3.459 4.885 1.00 23.93 C +ATOM 476 O VAL A 38 -8.383 2.405 5.006 1.00 25.69 O +ATOM 477 CB VAL A 38 -9.273 5.114 6.771 1.00 24.74 C +ATOM 478 CG1 VAL A 38 -9.270 3.938 7.705 1.00 27.88 C +ATOM 479 CG2 VAL A 38 -8.668 6.343 7.403 1.00 26.73 C +ATOM 480 H VAL A 38 -9.113 6.520 4.767 1.00 29.44 H +ATOM 481 HA VAL A 38 -7.581 4.660 5.696 1.00 32.57 H +ATOM 482 HB VAL A 38 -10.200 5.317 6.569 1.00 29.71 H +ATOM 483 HG11 VAL A 38 -9.374 4.257 8.615 1.00 33.47 H +ATOM 484 HG12 VAL A 38 -10.005 3.348 7.475 1.00 33.47 H +ATOM 485 HG13 VAL A 38 -8.426 3.466 7.615 1.00 33.47 H +ATOM 486 HG21 VAL A 38 -8.378 6.124 8.302 1.00 32.09 H +ATOM 487 HG22 VAL A 38 -7.910 6.631 6.872 1.00 32.09 H +ATOM 488 HG23 VAL A 38 -9.337 7.045 7.433 1.00 32.09 H +ATOM 489 N LYS A 39 -10.209 3.492 4.268 1.00 24.40 N +ATOM 490 CA LYS A 39 -10.753 2.254 3.725 1.00 21.63 C +ATOM 491 C LYS A 39 -9.880 1.708 2.597 1.00 24.83 C +ATOM 492 O LYS A 39 -9.634 0.495 2.526 1.00 23.05 O +ATOM 493 CB LYS A 39 -12.206 2.485 3.269 1.00 24.91 C +ATOM 494 CG LYS A 39 -12.782 1.315 2.482 1.00 34.36 C +ATOM 495 CD LYS A 39 -14.272 1.479 2.206 1.00 48.72 C +ATOM 496 CE LYS A 39 -14.814 0.148 1.713 1.00 67.52 C +ATOM 497 NZ LYS A 39 -14.198 -0.284 0.452 1.00 50.10 N1+ +ATOM 498 H LYS A 39 -10.697 4.192 4.158 1.00 29.30 H +ATOM 499 HA LYS A 39 -10.771 1.577 4.419 1.00 25.97 H +ATOM 500 HB2 LYS A 39 -12.762 2.621 4.051 1.00 29.91 H +ATOM 501 HB3 LYS A 39 -12.234 3.270 2.700 1.00 29.91 H +ATOM 502 HG2 LYS A 39 -12.324 1.249 1.630 1.00 41.25 H +ATOM 503 HG3 LYS A 39 -12.658 0.498 2.991 1.00 41.25 H +ATOM 504 HD2 LYS A 39 -14.736 1.730 3.020 1.00 58.48 H +ATOM 505 HD3 LYS A 39 -14.412 2.154 1.523 1.00 58.48 H +ATOM 506 HE2 LYS A 39 -14.638 -0.532 2.382 1.00 81.04 H +ATOM 507 HE3 LYS A 39 -15.769 0.230 1.567 1.00 81.04 H +ATOM 508 HZ1 LYS A 39 -13.541 0.273 0.228 1.00 60.14 H +ATOM 509 HZ2 LYS A 39 -13.863 -1.104 0.543 1.00 60.14 H +ATOM 510 HZ3 LYS A 39 -14.806 -0.291 -0.197 1.00 60.14 H +ATOM 511 N ALA A 40 -9.389 2.578 1.715 1.00 26.66 N +ATOM 512 CA ALA A 40 -8.477 2.124 0.669 1.00 26.56 C +ATOM 513 C ALA A 40 -7.223 1.497 1.261 1.00 25.44 C +ATOM 514 O ALA A 40 -6.701 0.494 0.748 1.00 23.51 O +ATOM 515 CB ALA A 40 -8.099 3.288 -0.243 1.00 31.89 C +ATOM 516 H ALA A 40 -9.566 3.419 1.700 1.00 32.01 H +ATOM 517 HA ALA A 40 -8.933 1.454 0.135 1.00 31.89 H +ATOM 518 HB1 ALA A 40 -7.651 2.939 -1.030 1.00 38.29 H +ATOM 519 HB2 ALA A 40 -8.905 3.760 -0.503 1.00 38.29 H +ATOM 520 HB3 ALA A 40 -7.505 3.885 0.238 1.00 38.29 H +ATOM 521 N THR A 41 -6.705 2.079 2.324 1.00 23.46 N +ATOM 522 CA THR A 41 -5.539 1.481 2.967 1.00 25.35 C +ATOM 523 C THR A 41 -5.867 0.104 3.559 1.00 20.21 C +ATOM 524 O THR A 41 -5.097 -0.852 3.406 1.00 22.09 O +ATOM 525 CB THR A 41 -5.007 2.425 4.044 1.00 20.69 C +ATOM 526 CG2 THR A 41 -3.802 1.823 4.726 1.00 24.35 C +ATOM 527 OG1 THR A 41 -4.606 3.678 3.456 1.00 21.22 O +ATOM 528 H THR A 41 -6.998 2.800 2.689 1.00 28.16 H +ATOM 529 HA THR A 41 -4.843 1.353 2.303 1.00 30.43 H +ATOM 530 HB THR A 41 -5.708 2.577 4.697 1.00 24.84 H +ATOM 531 HG1 THR A 41 -5.284 4.136 3.266 1.00 25.47 H +ATOM 532 HG21 THR A 41 -3.068 2.458 4.723 1.00 29.24 H +ATOM 533 HG22 THR A 41 -4.018 1.597 5.644 1.00 29.24 H +ATOM 534 HG23 THR A 41 -3.524 1.020 4.260 1.00 29.24 H +ATOM 535 N ASP A 42 -6.978 -0.007 4.276 1.00 22.82 N +ATOM 536 CA ASP A 42 -7.315 -1.285 4.880 1.00 26.63 C +ATOM 537 C ASP A 42 -7.624 -2.345 3.813 1.00 27.36 C +ATOM 538 O ASP A 42 -7.258 -3.503 3.975 1.00 22.91 O +ATOM 539 CB ASP A 42 -8.499 -1.109 5.813 1.00 21.48 C +ATOM 540 CG ASP A 42 -8.100 -0.554 7.155 1.00 29.61 C +ATOM 541 OD1 ASP A 42 -7.013 -0.942 7.635 1.00 25.65 O +ATOM 542 OD2 ASP A 42 -8.878 0.257 7.719 1.00 27.96 O1- +ATOM 543 H ASP A 42 -7.539 0.628 4.423 1.00 27.39 H +ATOM 544 HA ASP A 42 -6.559 -1.598 5.399 1.00 31.96 H +ATOM 545 HB2 ASP A 42 -9.132 -0.494 5.409 1.00 25.79 H +ATOM 546 HB3 ASP A 42 -8.919 -1.971 5.956 1.00 25.79 H +ATOM 547 N ASP A 43 -8.289 -1.978 2.708 1.00 26.09 N +ATOM 548 CA ASP A 43 -8.578 -2.973 1.669 1.00 25.27 C +ATOM 549 C ASP A 43 -7.288 -3.467 1.014 1.00 21.77 C +ATOM 550 O ASP A 43 -7.157 -4.645 0.668 1.00 25.91 O +ATOM 551 CB ASP A 43 -9.507 -2.357 0.604 1.00 24.92 C +ATOM 552 CG ASP A 43 -10.921 -2.152 1.100 1.00 40.61 C +ATOM 553 OD1 ASP A 43 -11.239 -2.633 2.207 1.00 38.65 O +ATOM 554 OD2 ASP A 43 -11.689 -1.429 0.422 1.00 37.07 O1- +ATOM 555 H ASP A 43 -8.574 -1.184 2.542 1.00 31.33 H +ATOM 556 HA ASP A 43 -9.030 -3.731 2.071 1.00 30.34 H +ATOM 557 HB2 ASP A 43 -9.154 -1.492 0.342 1.00 29.92 H +ATOM 558 HB3 ASP A 43 -9.541 -2.948 -0.164 1.00 29.92 H +ATOM 559 N PHE A 44 -6.320 -2.579 0.834 1.00 21.62 N +ATOM 560 CA PHE A 44 -5.020 -2.993 0.329 1.00 24.25 C +ATOM 561 C PHE A 44 -4.344 -3.963 1.272 1.00 26.60 C +ATOM 562 O PHE A 44 -3.863 -5.038 0.864 1.00 23.65 O +ATOM 563 CB PHE A 44 -4.160 -1.758 0.162 1.00 26.06 C +ATOM 564 CG PHE A 44 -2.721 -2.036 -0.090 1.00 24.92 C +ATOM 565 CD1 PHE A 44 -2.332 -2.573 -1.299 1.00 24.26 C +ATOM 566 CD2 PHE A 44 -1.764 -1.767 0.866 1.00 25.47 C +ATOM 567 CE1 PHE A 44 -1.016 -2.805 -1.585 1.00 24.11 C +ATOM 568 CE2 PHE A 44 -0.440 -1.985 0.591 1.00 21.20 C +ATOM 569 CZ PHE A 44 -0.054 -2.519 -0.654 1.00 23.97 C +ATOM 570 H PHE A 44 -6.389 -1.737 0.994 1.00 25.96 H +ATOM 571 HA PHE A 44 -5.134 -3.438 -0.526 1.00 29.11 H +ATOM 572 HB2 PHE A 44 -4.496 -1.247 -0.590 1.00 31.29 H +ATOM 573 HB3 PHE A 44 -4.217 -1.230 0.974 1.00 31.29 H +ATOM 574 HD1 PHE A 44 -2.979 -2.781 -1.934 1.00 29.12 H +ATOM 575 HD2 PHE A 44 -2.018 -1.438 1.698 1.00 30.58 H +ATOM 576 HE1 PHE A 44 -0.775 -3.157 -2.412 1.00 28.94 H +ATOM 577 HE2 PHE A 44 0.206 -1.779 1.229 1.00 25.46 H +ATOM 578 HZ PHE A 44 0.843 -2.676 -0.841 1.00 28.78 H +ATOM 579 N ILE A 45 -4.289 -3.605 2.551 1.00 23.23 N +ATOM 580 CA ILE A 45 -3.649 -4.517 3.494 1.00 20.52 C +ATOM 581 C ILE A 45 -4.404 -5.836 3.577 1.00 24.77 C +ATOM 582 O ILE A 45 -3.786 -6.907 3.671 1.00 23.24 O +ATOM 583 CB ILE A 45 -3.492 -3.854 4.867 1.00 22.65 C +ATOM 584 CG1 ILE A 45 -2.550 -2.651 4.714 1.00 19.17 C +ATOM 585 CG2 ILE A 45 -3.005 -4.881 5.897 1.00 25.49 C +ATOM 586 CD1 ILE A 45 -1.125 -3.020 4.505 1.00 21.99 C +ATOM 587 H ILE A 45 -4.599 -2.875 2.883 1.00 27.90 H +ATOM 588 HA ILE A 45 -2.760 -4.715 3.163 1.00 24.64 H +ATOM 589 HB ILE A 45 -4.344 -3.526 5.195 1.00 27.19 H +ATOM 590 HG12 ILE A 45 -2.835 -2.128 3.949 1.00 23.01 H +ATOM 591 HG13 ILE A 45 -2.599 -2.114 5.521 1.00 23.01 H +ATOM 592 HG21 ILE A 45 -2.942 -4.452 6.766 1.00 30.61 H +ATOM 593 HG22 ILE A 45 -3.639 -5.614 5.936 1.00 30.61 H +ATOM 594 HG23 ILE A 45 -2.133 -5.211 5.627 1.00 30.61 H +ATOM 595 HD11 ILE A 45 -0.599 -2.211 4.415 1.00 26.40 H +ATOM 596 HD12 ILE A 45 -0.815 -3.533 5.268 1.00 26.40 H +ATOM 597 HD13 ILE A 45 -1.052 -3.554 3.698 1.00 26.40 H +ATOM 598 N ASP A 46 -5.745 -5.791 3.542 1.00 25.99 N +ATOM 599 CA ASP A 46 -6.537 -7.025 3.526 1.00 26.25 C +ATOM 600 C ASP A 46 -6.111 -7.931 2.378 1.00 27.94 C +ATOM 601 O ASP A 46 -6.037 -9.165 2.535 1.00 25.33 O +ATOM 602 CB ASP A 46 -8.034 -6.714 3.361 1.00 27.96 C +ATOM 603 CG ASP A 46 -8.715 -6.252 4.619 1.00 30.50 C +ATOM 604 OD1 ASP A 46 -8.132 -6.263 5.721 1.00 27.85 O +ATOM 605 OD2 ASP A 46 -9.878 -5.809 4.497 1.00 27.55 O1- +ATOM 606 H ASP A 46 -6.211 -5.069 3.525 1.00 31.20 H +ATOM 607 HA ASP A 46 -6.400 -7.472 4.375 1.00 31.52 H +ATOM 608 HB2 ASP A 46 -8.133 -6.011 2.700 1.00 33.56 H +ATOM 609 HB3 ASP A 46 -8.486 -7.518 3.061 1.00 33.56 H +ATOM 610 N SER A 47 -5.839 -7.338 1.207 1.00 25.50 N +ATOM 611 CA SER A 47 -5.477 -8.098 0.020 1.00 24.20 C +ATOM 612 C SER A 47 -4.122 -8.764 0.145 1.00 28.43 C +ATOM 613 O SER A 47 -3.830 -9.654 -0.649 1.00 25.30 O +ATOM 614 CB SER A 47 -5.481 -7.209 -1.238 1.00 31.28 C +ATOM 615 OG SER A 47 -4.241 -6.529 -1.439 1.00 29.09 O +ATOM 616 H SER A 47 -5.858 -6.488 1.079 1.00 30.62 H +ATOM 617 HA SER A 47 -6.152 -8.784 -0.097 1.00 29.05 H +ATOM 618 HB2 SER A 47 -5.654 -7.769 -2.011 1.00 37.55 H +ATOM 619 HB3 SER A 47 -6.183 -6.546 -1.144 1.00 37.55 H +ATOM 620 HG SER A 47 -4.380 -5.714 -1.591 1.00 34.92 H +ATOM 621 N LEU A 48 -3.294 -8.355 1.107 1.00 24.78 N +ATOM 622 CA LEU A 48 -2.006 -8.993 1.324 1.00 21.63 C +ATOM 623 C LEU A 48 -2.100 -10.201 2.260 1.00 29.77 C +ATOM 624 O LEU A 48 -1.144 -10.991 2.348 1.00 25.82 O +ATOM 625 CB LEU A 48 -1.013 -7.977 1.901 1.00 23.87 C +ATOM 626 CG LEU A 48 -0.796 -6.709 1.070 1.00 28.28 C +ATOM 627 CD1 LEU A 48 0.141 -5.826 1.894 1.00 28.34 C +ATOM 628 CD2 LEU A 48 -0.172 -7.015 -0.278 1.00 25.19 C +ATOM 629 H LEU A 48 -3.460 -7.708 1.649 1.00 29.75 H +ATOM 630 HA LEU A 48 -1.653 -9.300 0.474 1.00 25.97 H +ATOM 631 HB2 LEU A 48 -1.337 -7.698 2.772 1.00 28.65 H +ATOM 632 HB3 LEU A 48 -0.151 -8.413 1.992 1.00 28.65 H +ATOM 633 HG LEU A 48 -1.640 -6.269 0.881 1.00 33.95 H +ATOM 634 HD11 LEU A 48 0.399 -5.057 1.362 1.00 34.03 H +ATOM 635 HD12 LEU A 48 -0.322 -5.534 2.694 1.00 34.03 H +ATOM 636 HD13 LEU A 48 0.928 -6.339 2.135 1.00 34.03 H +ATOM 637 HD21 LEU A 48 -0.456 -6.343 -0.917 1.00 30.24 H +ATOM 638 HD22 LEU A 48 0.794 -6.998 -0.190 1.00 30.24 H +ATOM 639 HD23 LEU A 48 -0.462 -7.893 -0.569 1.00 30.24 H +ATOM 640 N GLN A 49 -3.195 -10.332 3.008 1.00 28.80 N +ATOM 641 CA GLN A 49 -3.305 -11.411 3.981 1.00 34.91 C +ATOM 642 C GLN A 49 -3.104 -12.752 3.332 1.00 32.06 C +ATOM 643 O GLN A 49 -3.612 -13.016 2.247 1.00 35.59 O +ATOM 644 CB GLN A 49 -4.651 -11.347 4.691 1.00 42.45 C +ATOM 645 CG GLN A 49 -4.984 -10.112 5.492 1.00 45.44 C +ATOM 646 CD GLN A 49 -4.276 -10.020 6.855 1.00 58.48 C +ATOM 647 NE2 GLN A 49 -2.930 -9.974 6.898 1.00 44.97 N +ATOM 648 OE1 GLN A 49 -4.999 -10.020 7.892 1.00 55.67 O +ATOM 649 H GLN A 49 -3.880 -9.813 2.970 1.00 34.57 H +ATOM 650 HA GLN A 49 -2.611 -11.303 4.651 1.00 41.90 H +ATOM 651 HB2 GLN A 49 -5.343 -11.434 4.018 1.00 50.95 H +ATOM 652 HB3 GLN A 49 -4.693 -12.096 5.309 1.00 50.95 H +ATOM 653 HG2 GLN A 49 -4.726 -9.332 4.976 1.00 54.54 H +ATOM 654 HG3 GLN A 49 -5.939 -10.099 5.658 1.00 54.54 H +ATOM 655 HE21 GLN A 49 -2.474 -9.995 6.169 1.00 53.98 H +ATOM 656 HE22 GLN A 49 -2.526 -9.923 7.656 1.00 53.98 H +ATOM 657 N GLY A 50 -2.290 -13.568 3.975 1.00 41.05 N +ATOM 658 CA GLY A 50 -2.067 -14.913 3.504 1.00 37.69 C +ATOM 659 C GLY A 50 -0.973 -15.110 2.482 1.00 44.00 C +ATOM 660 O GLY A 50 -0.621 -16.256 2.217 1.00 36.61 O +ATOM 661 H GLY A 50 -1.857 -13.362 4.690 1.00 49.28 H +ATOM 662 HA2 GLY A 50 -1.848 -15.469 4.268 1.00 45.24 H +ATOM 663 HA3 GLY A 50 -2.891 -15.234 3.105 1.00 45.24 H +ATOM 664 N LYS A 51 -0.383 -14.045 1.951 1.00 32.26 N +ATOM 665 CA LYS A 51 0.712 -14.186 1.018 1.00 28.60 C +ATOM 666 C LYS A 51 2.028 -14.350 1.781 1.00 29.82 C +ATOM 667 O LYS A 51 2.120 -14.071 2.972 1.00 30.10 O +ATOM 668 CB LYS A 51 0.778 -12.962 0.091 1.00 37.24 C +ATOM 669 CG LYS A 51 -0.442 -12.531 -0.747 1.00 29.85 C +ATOM 670 CD LYS A 51 0.032 -11.211 -1.402 1.00 33.61 C +ATOM 671 CE LYS A 51 -0.490 -10.596 -2.705 1.00 54.69 C +ATOM 672 NZ LYS A 51 -1.681 -11.144 -3.446 1.00 56.92 N1+ +ATOM 673 H LYS A 51 -0.603 -13.231 2.120 1.00 38.73 H +ATOM 674 HA LYS A 51 0.572 -14.973 0.468 1.00 34.34 H +ATOM 675 HB2 LYS A 51 1.000 -12.199 0.647 1.00 44.70 H +ATOM 676 HB3 LYS A 51 1.491 -13.127 -0.546 1.00 44.70 H +ATOM 677 HG2 LYS A 51 -0.652 -13.189 -1.427 1.00 35.83 H +ATOM 678 HG3 LYS A 51 -1.216 -12.372 -0.187 1.00 35.83 H +ATOM 679 HD2 LYS A 51 -0.118 -10.520 -0.737 1.00 40.34 H +ATOM 680 HD3 LYS A 51 0.984 -11.321 -1.556 1.00 40.34 H +ATOM 681 HE2 LYS A 51 0.243 -10.628 -3.340 1.00 65.64 H +ATOM 682 HE3 LYS A 51 -0.717 -9.674 -2.505 1.00 65.64 H +ATOM 683 HZ1 LYS A 51 -2.183 -11.633 -2.897 1.00 68.32 H +ATOM 684 HZ2 LYS A 51 -1.410 -11.656 -4.122 1.00 68.32 H +ATOM 685 HZ3 LYS A 51 -2.173 -10.476 -3.768 1.00 68.32 H +ATOM 686 N ALA A 52 3.060 -14.772 1.065 1.00 29.10 N +ATOM 687 CA ALA A 52 4.367 -14.883 1.690 1.00 30.38 C +ATOM 688 C ALA A 52 4.733 -13.561 2.355 1.00 42.88 C +ATOM 689 O ALA A 52 4.381 -12.491 1.860 1.00 25.97 O +ATOM 690 CB ALA A 52 5.421 -15.234 0.658 1.00 35.28 C +ATOM 691 H ALA A 52 3.031 -14.994 0.235 1.00 34.93 H +ATOM 692 HA ALA A 52 4.349 -15.585 2.360 1.00 36.47 H +ATOM 693 HB1 ALA A 52 6.278 -15.330 1.102 1.00 42.35 H +ATOM 694 HB2 ALA A 52 5.176 -16.069 0.229 1.00 42.35 H +ATOM 695 HB3 ALA A 52 5.466 -14.524 -0.001 1.00 42.35 H +ATOM 696 N ALA A 53 5.486 -13.631 3.461 1.00 30.88 N +ATOM 697 CA ALA A 53 5.821 -12.413 4.199 1.00 32.55 C +ATOM 698 C ALA A 53 6.618 -11.460 3.328 1.00 32.19 C +ATOM 699 O ALA A 53 6.377 -10.245 3.344 1.00 30.83 O +ATOM 700 CB ALA A 53 6.620 -12.745 5.470 1.00 37.10 C +ATOM 701 H ALA A 53 5.806 -14.356 3.795 1.00 37.07 H +ATOM 702 HA ALA A 53 4.996 -11.982 4.472 1.00 39.07 H +ATOM 703 HB1 ALA A 53 6.826 -11.922 5.938 1.00 44.53 H +ATOM 704 HB2 ALA A 53 6.085 -13.323 6.035 1.00 44.53 H +ATOM 705 HB3 ALA A 53 7.440 -13.197 5.217 1.00 44.53 H +ATOM 706 N HIS A 54 7.590 -11.987 2.574 1.00 25.83 N +ATOM 707 CA HIS A 54 8.382 -11.122 1.698 1.00 28.92 C +ATOM 708 C HIS A 54 7.509 -10.368 0.704 1.00 33.67 C +ATOM 709 O HIS A 54 7.879 -9.274 0.256 1.00 27.84 O +ATOM 710 CB HIS A 54 9.427 -11.923 0.894 1.00 33.71 C +ATOM 711 CG HIS A 54 10.241 -12.872 1.705 1.00 36.13 C +ATOM 712 CD2 HIS A 54 11.513 -12.776 2.155 1.00 29.70 C +ATOM 713 ND1 HIS A 54 9.759 -14.086 2.154 1.00 28.80 N +ATOM 714 CE1 HIS A 54 10.695 -14.679 2.873 1.00 36.01 C +ATOM 715 NE2 HIS A 54 11.768 -13.908 2.879 1.00 35.12 N +ATOM 716 H HIS A 54 7.804 -12.820 2.552 1.00 31.01 H +ATOM 717 HA HIS A 54 8.842 -10.498 2.281 1.00 34.71 H +ATOM 718 HB2 HIS A 54 8.966 -12.439 0.214 1.00 40.46 H +ATOM 719 HB3 HIS A 54 10.040 -11.297 0.476 1.00 40.46 H +ATOM 720 HD1 HIS A 54 8.977 -14.404 1.993 1.00 34.57 H +ATOM 721 HD2 HIS A 54 12.104 -12.074 2.001 1.00 35.65 H +ATOM 722 HE1 HIS A 54 10.612 -15.500 3.302 1.00 43.23 H +ATOM 723 N ASP A 55 6.454 -11.023 0.205 1.00 29.61 N +ATOM 724 CA ASP A 55 5.576 -10.450 -0.808 1.00 29.47 C +ATOM 725 C ASP A 55 4.725 -9.346 -0.193 1.00 24.58 C +ATOM 726 O ASP A 55 4.576 -8.258 -0.780 1.00 25.04 O +ATOM 727 CB ASP A 55 4.699 -11.568 -1.394 1.00 33.70 C +ATOM 728 CG ASP A 55 5.497 -12.547 -2.313 1.00 49.19 C +ATOM 729 OD1 ASP A 55 6.647 -12.237 -2.697 1.00 47.39 O +ATOM 730 OD2 ASP A 55 4.987 -13.647 -2.622 1.00 50.83 O1- +ATOM 731 H ASP A 55 6.223 -11.817 0.444 1.00 35.55 H +ATOM 732 HA ASP A 55 6.094 -10.064 -1.531 1.00 35.37 H +ATOM 733 HB2 ASP A 55 4.317 -12.085 -0.666 1.00 40.45 H +ATOM 734 HB3 ASP A 55 3.991 -11.169 -1.924 1.00 40.45 H +ATOM 735 N GLN A 56 4.246 -9.572 1.039 1.00 24.46 N +ATOM 736 CA GLN A 56 3.498 -8.516 1.710 1.00 24.56 C +ATOM 737 C GLN A 56 4.393 -7.303 1.929 1.00 20.51 C +ATOM 738 O GLN A 56 3.987 -6.148 1.713 1.00 23.03 O +ATOM 739 CB GLN A 56 2.966 -8.992 3.065 1.00 25.42 C +ATOM 740 CG GLN A 56 1.982 -10.156 2.973 1.00 26.05 C +ATOM 741 CD GLN A 56 1.287 -10.430 4.280 1.00 28.84 C +ATOM 742 NE2 GLN A 56 1.065 -11.713 4.595 1.00 32.12 N +ATOM 743 OE1 GLN A 56 0.971 -9.517 5.005 1.00 30.36 O +ATOM 744 H GLN A 56 4.341 -10.301 1.485 1.00 29.37 H +ATOM 745 HA GLN A 56 2.739 -8.279 1.155 1.00 29.49 H +ATOM 746 HB2 GLN A 56 3.715 -9.283 3.608 1.00 30.52 H +ATOM 747 HB3 GLN A 56 2.509 -8.253 3.496 1.00 30.52 H +ATOM 748 HG2 GLN A 56 1.304 -9.946 2.312 1.00 31.27 H +ATOM 749 HG3 GLN A 56 2.462 -10.958 2.714 1.00 31.27 H +ATOM 750 HE21 GLN A 56 1.316 -12.338 4.059 1.00 38.56 H +ATOM 751 HE22 GLN A 56 0.671 -11.913 5.333 1.00 38.56 H +ATOM 752 N LYS A 57 5.614 -7.541 2.392 1.00 22.33 N +ATOM 753 CA LYS A 57 6.495 -6.414 2.691 1.00 20.59 C +ATOM 754 C LYS A 57 7.010 -5.760 1.414 1.00 23.41 C +ATOM 755 O LYS A 57 7.255 -4.550 1.392 1.00 22.54 O +ATOM 756 CB LYS A 57 7.637 -6.887 3.560 1.00 18.19 C +ATOM 757 CG LYS A 57 7.125 -7.309 4.964 1.00 22.12 C +ATOM 758 CD LYS A 57 8.237 -7.784 5.853 1.00 25.21 C +ATOM 759 CE LYS A 57 7.784 -7.917 7.325 1.00 25.27 C +ATOM 760 NZ LYS A 57 8.946 -8.568 8.098 1.00 22.73 N1+ +ATOM 761 H LYS A 57 5.949 -8.320 2.537 1.00 26.81 H +ATOM 762 HA LYS A 57 6.012 -5.736 3.188 1.00 24.72 H +ATOM 763 HB2 LYS A 57 8.063 -7.653 3.145 1.00 21.84 H +ATOM 764 HB3 LYS A 57 8.279 -6.169 3.670 1.00 21.84 H +ATOM 765 HG2 LYS A 57 6.701 -6.548 5.391 1.00 26.56 H +ATOM 766 HG3 LYS A 57 6.487 -8.033 4.866 1.00 26.56 H +ATOM 767 HD2 LYS A 57 8.540 -8.654 5.550 1.00 30.26 H +ATOM 768 HD3 LYS A 57 8.969 -7.147 5.818 1.00 30.26 H +ATOM 769 HE2 LYS A 57 7.595 -7.042 7.701 1.00 30.34 H +ATOM 770 HE3 LYS A 57 6.997 -8.480 7.387 1.00 30.34 H +ATOM 771 HZ1 LYS A 57 8.832 -9.450 8.133 1.00 27.29 H +ATOM 772 HZ2 LYS A 57 9.718 -8.394 7.690 1.00 27.29 H +ATOM 773 HZ3 LYS A 57 8.979 -8.247 8.928 1.00 27.29 H +ATOM 774 N GLN A 58 7.131 -6.533 0.334 1.00 22.55 N +ATOM 775 CA GLN A 58 7.489 -5.933 -0.946 1.00 25.90 C +ATOM 776 C GLN A 58 6.405 -4.990 -1.429 1.00 21.25 C +ATOM 777 O GLN A 58 6.703 -3.872 -1.865 1.00 23.99 O +ATOM 778 CB GLN A 58 7.763 -7.019 -2.002 1.00 23.08 C +ATOM 779 CG GLN A 58 8.093 -6.474 -3.427 1.00 27.08 C +ATOM 780 CD GLN A 58 9.393 -5.728 -3.448 1.00 25.48 C +ATOM 781 NE2 GLN A 58 9.387 -4.521 -4.018 1.00 26.86 N +ATOM 782 OE1 GLN A 58 10.418 -6.250 -2.990 1.00 30.57 O +ATOM 783 H GLN A 58 7.013 -7.385 0.317 1.00 27.08 H +ATOM 784 HA GLN A 58 8.308 -5.429 -0.826 1.00 31.09 H +ATOM 785 HB2 GLN A 58 8.521 -7.550 -1.710 1.00 27.71 H +ATOM 786 HB3 GLN A 58 6.975 -7.580 -2.080 1.00 27.71 H +ATOM 787 HG2 GLN A 58 8.158 -7.217 -4.047 1.00 32.51 H +ATOM 788 HG3 GLN A 58 7.390 -5.868 -3.709 1.00 32.51 H +ATOM 789 HE21 GLN A 58 8.660 -4.207 -4.351 1.00 32.24 H +ATOM 790 HE22 GLN A 58 10.111 -4.058 -4.052 1.00 32.24 H +ATOM 791 N LYS A 59 5.140 -5.426 -1.346 1.00 19.14 N +ATOM 792 CA ALYS A 59 4.030 -4.636 -1.858 0.53 22.59 C +ATOM 793 CA BLYS A 59 4.047 -4.627 -1.875 0.47 22.64 C +ATOM 794 C LYS A 59 3.809 -3.376 -1.034 1.00 25.27 C +ATOM 795 O LYS A 59 3.624 -2.296 -1.589 1.00 23.23 O +ATOM 796 CB ALYS A 59 2.761 -5.483 -1.890 0.53 25.39 C +ATOM 797 CB BLYS A 59 2.792 -5.470 -1.991 0.47 25.40 C +ATOM 798 CG ALYS A 59 2.716 -6.508 -3.050 0.53 29.93 C +ATOM 799 CG BLYS A 59 3.018 -6.626 -2.945 0.47 30.22 C +ATOM 800 CD ALYS A 59 2.519 -5.875 -4.400 0.53 31.95 C +ATOM 801 CD BLYS A 59 2.864 -6.156 -4.437 0.47 32.18 C +ATOM 802 CE ALYS A 59 2.822 -6.845 -5.559 0.53 31.39 C +ATOM 803 CE BLYS A 59 3.370 -7.322 -5.333 0.47 31.67 C +ATOM 804 NZ ALYS A 59 2.929 -6.090 -6.836 0.53 26.28 N1+ +ATOM 805 NZ BLYS A 59 2.707 -8.627 -4.993 0.47 28.51 N1+ +ATOM 806 H LYS A 59 4.902 -6.175 -0.997 1.00 22.98 H +ATOM 807 HA LYS A 59 4.241 -4.364 -2.765 1.00 27.18 H +ATOM 808 HB2ALYS A 59 2.695 -5.976 -1.058 0.53 30.48 H +ATOM 809 HB2BLYS A 59 2.561 -5.828 -1.120 0.47 30.50 H +ATOM 810 HB3ALYS A 59 1.997 -4.893 -1.988 0.53 30.48 H +ATOM 811 HB3BLYS A 59 2.066 -4.925 -2.330 0.47 30.50 H +ATOM 812 HG2ALYS A 59 3.553 -6.997 -3.070 0.53 35.93 H +ATOM 813 HG2BLYS A 59 3.913 -6.976 -2.824 0.47 36.27 H +ATOM 814 HG3ALYS A 59 1.978 -7.119 -2.899 0.53 35.93 H +ATOM 815 HG3BLYS A 59 2.363 -7.321 -2.772 0.47 36.27 H +ATOM 816 HD2ALYS A 59 1.597 -5.586 -4.484 0.53 38.36 H +ATOM 817 HD2BLYS A 59 1.933 -5.972 -4.639 0.47 38.62 H +ATOM 818 HD3ALYS A 59 3.115 -5.114 -4.483 0.53 38.36 H +ATOM 819 HD3BLYS A 59 3.402 -5.365 -4.600 0.47 38.62 H +ATOM 820 HE2ALYS A 59 3.663 -7.301 -5.393 0.53 37.68 H +ATOM 821 HE2BLYS A 59 3.175 -7.117 -6.261 0.47 38.02 H +ATOM 822 HE3ALYS A 59 2.105 -7.493 -5.639 0.53 37.68 H +ATOM 823 HE3BLYS A 59 4.326 -7.427 -5.209 0.47 38.02 H +ATOM 824 HZ1ALYS A 59 2.711 -6.616 -7.521 0.53 31.55 H +ATOM 825 HZ1BLYS A 59 2.513 -8.654 -4.126 0.47 34.23 H +ATOM 826 HZ2ALYS A 59 2.380 -5.390 -6.824 0.53 31.55 H +ATOM 827 HZ2BLYS A 59 1.953 -8.718 -5.460 0.47 34.23 H +ATOM 828 HZ3ALYS A 59 3.763 -5.801 -6.950 0.53 31.55 H +ATOM 829 HZ3BLYS A 59 3.250 -9.305 -5.189 0.47 34.23 H +ATOM 830 N LEU A 60 3.799 -3.488 0.302 1.00 22.96 N +ATOM 831 CA LEU A 60 3.720 -2.249 1.090 1.00 19.15 C +ATOM 832 C LEU A 60 4.995 -1.415 0.938 1.00 17.20 C +ATOM 833 O LEU A 60 4.944 -0.165 0.792 1.00 21.63 O +ATOM 834 CB LEU A 60 3.429 -2.568 2.569 1.00 18.21 C +ATOM 835 CG LEU A 60 3.401 -1.344 3.437 1.00 17.86 C +ATOM 836 CD1 LEU A 60 2.367 -0.282 3.013 1.00 20.96 C +ATOM 837 CD2 LEU A 60 3.134 -1.719 4.941 1.00 27.88 C +ATOM 838 H LEU A 60 3.833 -4.222 0.749 1.00 27.56 H +ATOM 839 HA LEU A 60 2.978 -1.717 0.762 1.00 22.99 H +ATOM 840 HB2 LEU A 60 2.564 -3.002 2.634 1.00 21.86 H +ATOM 841 HB3 LEU A 60 4.122 -3.158 2.905 1.00 21.86 H +ATOM 842 HG LEU A 60 4.279 -0.945 3.331 1.00 21.44 H +ATOM 843 HD11 LEU A 60 2.200 0.312 3.761 1.00 25.17 H +ATOM 844 HD12 LEU A 60 2.720 0.221 2.262 1.00 25.17 H +ATOM 845 HD13 LEU A 60 1.544 -0.728 2.755 1.00 25.17 H +ATOM 846 HD21 LEU A 60 3.054 -0.903 5.460 1.00 33.47 H +ATOM 847 HD22 LEU A 60 2.311 -2.229 4.998 1.00 33.47 H +ATOM 848 HD23 LEU A 60 3.876 -2.250 5.272 1.00 33.47 H +ATOM 849 N GLY A 61 6.144 -2.084 0.899 1.00 22.48 N +ATOM 850 CA GLY A 61 7.408 -1.386 0.808 1.00 24.19 C +ATOM 851 C GLY A 61 7.516 -0.568 -0.470 1.00 28.95 C +ATOM 852 O GLY A 61 8.073 0.532 -0.465 1.00 23.58 O +ATOM 853 H GLY A 61 6.213 -2.941 0.925 1.00 27.00 H +ATOM 854 HA2 GLY A 61 7.500 -0.787 1.565 1.00 29.04 H +ATOM 855 HA3 GLY A 61 8.133 -2.030 0.824 1.00 29.04 H +ATOM 856 N ASP A 62 6.968 -1.074 -1.576 1.00 22.44 N +ATOM 857 CA ASP A 62 6.980 -0.289 -2.827 1.00 24.45 C +ATOM 858 C ASP A 62 6.416 1.113 -2.595 1.00 26.19 C +ATOM 859 O ASP A 62 7.017 2.126 -3.005 1.00 27.11 O +ATOM 860 CB ASP A 62 6.118 -0.927 -3.920 1.00 30.37 C +ATOM 861 CG ASP A 62 6.744 -2.127 -4.555 1.00 39.55 C +ATOM 862 OD1 ASP A 62 5.959 -2.960 -5.081 1.00 45.23 O +ATOM 863 OD2 ASP A 62 8.000 -2.202 -4.565 1.00 42.45 O1- +ATOM 864 H ASP A 62 6.592 -1.847 -1.635 1.00 26.94 H +ATOM 865 HA ASP A 62 7.904 -0.264 -3.121 1.00 29.35 H +ATOM 866 HB2 ASP A 62 5.274 -1.206 -3.530 1.00 36.45 H +ATOM 867 HB3 ASP A 62 5.961 -0.271 -4.617 1.00 36.45 H +ATOM 868 N GLN A 63 5.257 1.178 -1.911 1.00 26.60 N +ATOM 869 CA GLN A 63 4.588 2.455 -1.619 1.00 25.26 C +ATOM 870 C GLN A 63 5.310 3.235 -0.530 1.00 25.64 C +ATOM 871 O GLN A 63 5.447 4.463 -0.619 1.00 21.75 O +ATOM 872 CB GLN A 63 3.136 2.194 -1.229 1.00 26.77 C +ATOM 873 CG GLN A 63 2.284 1.562 -2.352 1.00 28.51 C +ATOM 874 CD GLN A 63 0.794 1.470 -1.985 1.00 32.54 C +ATOM 875 NE2 GLN A 63 0.168 0.355 -2.383 1.00 33.76 N +ATOM 876 OE1 GLN A 63 0.202 2.394 -1.367 1.00 37.10 O +ATOM 877 H GLN A 63 4.839 0.493 -1.605 1.00 31.94 H +ATOM 878 HA GLN A 63 4.596 3.002 -2.419 1.00 30.33 H +ATOM 879 HB2 GLN A 63 3.121 1.588 -0.472 1.00 32.14 H +ATOM 880 HB3 GLN A 63 2.723 3.038 -0.986 1.00 32.14 H +ATOM 881 HG2 GLN A 63 2.364 2.105 -3.152 1.00 34.22 H +ATOM 882 HG3 GLN A 63 2.607 0.665 -2.526 1.00 34.22 H +ATOM 883 HE21 GLN A 63 0.600 -0.250 -2.815 1.00 40.53 H +ATOM 884 HE22 GLN A 63 -0.666 0.244 -2.208 1.00 40.53 H +ATOM 885 N LEU A 64 5.781 2.548 0.504 1.00 24.08 N +ATOM 886 CA LEU A 64 6.454 3.234 1.605 1.00 18.97 C +ATOM 887 C LEU A 64 7.795 3.791 1.166 1.00 24.53 C +ATOM 888 O LEU A 64 8.162 4.902 1.545 1.00 21.41 O +ATOM 889 CB LEU A 64 6.615 2.269 2.791 1.00 19.17 C +ATOM 890 CG LEU A 64 7.335 2.814 4.025 1.00 19.73 C +ATOM 891 CD1 LEU A 64 6.639 4.051 4.602 1.00 23.77 C +ATOM 892 CD2 LEU A 64 7.494 1.732 5.067 1.00 23.27 C +ATOM 893 H LEU A 64 5.726 1.695 0.595 1.00 28.91 H +ATOM 894 HA LEU A 64 5.909 3.980 1.900 1.00 22.78 H +ATOM 895 HB2 LEU A 64 5.730 1.993 3.077 1.00 23.02 H +ATOM 896 HB3 LEU A 64 7.118 1.498 2.485 1.00 23.02 H +ATOM 897 HG LEU A 64 8.221 3.102 3.755 1.00 23.69 H +ATOM 898 HD11 LEU A 64 7.048 4.275 5.452 1.00 28.53 H +ATOM 899 HD12 LEU A 64 6.741 4.788 3.981 1.00 28.53 H +ATOM 900 HD13 LEU A 64 5.698 3.852 4.729 1.00 28.53 H +ATOM 901 HD21 LEU A 64 7.653 2.147 5.929 1.00 27.94 H +ATOM 902 HD22 LEU A 64 6.682 1.203 5.100 1.00 27.94 H +ATOM 903 HD23 LEU A 64 8.246 1.170 4.827 1.00 27.94 H +ATOM 904 N PHE A 65 8.538 3.051 0.342 1.00 22.24 N +ATOM 905 CA PHE A 65 9.786 3.576 -0.200 1.00 21.59 C +ATOM 906 C PHE A 65 9.567 4.861 -1.000 1.00 22.13 C +ATOM 907 O PHE A 65 10.308 5.859 -0.853 1.00 24.14 O +ATOM 908 CB PHE A 65 10.395 2.474 -1.065 1.00 22.92 C +ATOM 909 CG PHE A 65 11.432 2.964 -2.005 1.00 22.35 C +ATOM 910 CD1 PHE A 65 12.711 3.279 -1.567 1.00 26.46 C +ATOM 911 CD2 PHE A 65 11.124 3.137 -3.348 1.00 28.99 C +ATOM 912 CE1 PHE A 65 13.686 3.740 -2.487 1.00 31.78 C +ATOM 913 CE2 PHE A 65 12.086 3.597 -4.247 1.00 32.97 C +ATOM 914 CZ PHE A 65 13.352 3.911 -3.818 1.00 32.97 C +ATOM 915 H PHE A 65 8.343 2.253 0.085 1.00 26.71 H +ATOM 916 HA PHE A 65 10.397 3.809 0.517 1.00 25.92 H +ATOM 917 HB2 PHE A 65 10.806 1.813 -0.487 1.00 27.52 H +ATOM 918 HB3 PHE A 65 9.689 2.063 -1.589 1.00 27.52 H +ATOM 919 HD1 PHE A 65 12.928 3.187 -0.668 1.00 31.76 H +ATOM 920 HD2 PHE A 65 10.267 2.943 -3.651 1.00 34.81 H +ATOM 921 HE1 PHE A 65 14.549 3.929 -2.196 1.00 38.15 H +ATOM 922 HE2 PHE A 65 11.868 3.693 -5.146 1.00 39.57 H +ATOM 923 HZ PHE A 65 13.981 4.236 -4.419 1.00 39.57 H +ATOM 924 N LYS A 66 8.550 4.865 -1.856 1.00 25.35 N +ATOM 925 CA LYS A 66 8.253 6.087 -2.605 1.00 23.73 C +ATOM 926 C LYS A 66 7.917 7.227 -1.658 1.00 27.32 C +ATOM 927 O LYS A 66 8.371 8.364 -1.840 1.00 27.16 O +ATOM 928 CB LYS A 66 7.090 5.847 -3.550 1.00 24.08 C +ATOM 929 CG LYS A 66 7.434 4.988 -4.795 1.00 36.25 C +ATOM 930 CD LYS A 66 6.132 4.592 -5.526 1.00 37.74 C +ATOM 931 CE LYS A 66 6.418 4.064 -6.932 1.00 56.56 C +ATOM 932 NZ LYS A 66 5.151 3.982 -7.735 1.00 69.69 N1+ +ATOM 933 H LYS A 66 8.031 4.199 -2.019 1.00 30.44 H +ATOM 934 HA LYS A 66 9.032 6.332 -3.130 1.00 28.49 H +ATOM 935 HB2 LYS A 66 6.387 5.389 -3.063 1.00 28.90 H +ATOM 936 HB3 LYS A 66 6.768 6.706 -3.868 1.00 28.90 H +ATOM 937 HG2 LYS A 66 7.992 5.498 -5.402 1.00 43.51 H +ATOM 938 HG3 LYS A 66 7.896 4.181 -4.518 1.00 43.51 H +ATOM 939 HD2 LYS A 66 5.681 3.895 -5.025 1.00 45.31 H +ATOM 940 HD3 LYS A 66 5.558 5.370 -5.603 1.00 45.31 H +ATOM 941 HE2 LYS A 66 7.033 4.663 -7.384 1.00 67.89 H +ATOM 942 HE3 LYS A 66 6.805 3.176 -6.873 1.00 67.89 H +ATOM 943 HZ1 LYS A 66 5.343 3.946 -8.603 1.00 83.64 H +ATOM 944 HZ2 LYS A 66 4.696 3.252 -7.509 1.00 83.64 H +ATOM 945 HZ3 LYS A 66 4.646 4.698 -7.580 1.00 83.64 H +ATOM 946 N LYS A 67 7.089 6.951 -0.655 1.00 23.78 N +ATOM 947 CA LYS A 67 6.746 8.000 0.304 1.00 21.77 C +ATOM 948 C LYS A 67 7.989 8.579 0.956 1.00 22.43 C +ATOM 949 O LYS A 67 8.159 9.809 1.018 1.00 23.50 O +ATOM 950 CB LYS A 67 5.792 7.428 1.336 1.00 25.54 C +ATOM 951 CG LYS A 67 5.177 8.495 2.284 1.00 28.18 C +ATOM 952 CD LYS A 67 4.519 9.611 1.549 1.00 26.98 C +ATOM 953 CE LYS A 67 3.662 10.534 2.472 1.00 35.95 C +ATOM 954 NZ LYS A 67 2.619 11.343 1.678 1.00 36.24 N1+ +ATOM 955 H LYS A 67 6.720 6.187 -0.510 1.00 28.55 H +ATOM 956 HA LYS A 67 6.302 8.730 -0.152 1.00 26.14 H +ATOM 957 HB2 LYS A 67 5.062 6.986 0.874 1.00 30.66 H +ATOM 958 HB3 LYS A 67 6.273 6.788 1.884 1.00 30.66 H +ATOM 959 HG2 LYS A 67 4.508 8.072 2.845 1.00 33.83 H +ATOM 960 HG3 LYS A 67 5.880 8.873 2.834 1.00 33.83 H +ATOM 961 HD2 LYS A 67 5.201 10.158 1.131 1.00 32.39 H +ATOM 962 HD3 LYS A 67 3.931 9.239 0.872 1.00 32.39 H +ATOM 963 HE2 LYS A 67 3.192 9.986 3.120 1.00 43.15 H +ATOM 964 HE3 LYS A 67 4.247 11.159 2.927 1.00 43.15 H +ATOM 965 HZ1 LYS A 67 2.990 11.683 0.945 1.00 43.50 H +ATOM 966 HZ2 LYS A 67 2.307 12.010 2.180 1.00 43.50 H +ATOM 967 HZ3 LYS A 67 1.940 10.818 1.444 1.00 43.50 H +ATOM 968 N ILE A 68 8.866 7.717 1.471 1.00 20.61 N +ATOM 969 CA ILE A 68 10.080 8.199 2.132 1.00 23.00 C +ATOM 970 C ILE A 68 10.965 8.969 1.147 1.00 27.87 C +ATOM 971 O ILE A 68 11.617 9.952 1.530 1.00 25.14 O +ATOM 972 CB ILE A 68 10.842 7.030 2.790 1.00 23.19 C +ATOM 973 CG1 ILE A 68 9.974 6.448 3.907 1.00 18.96 C +ATOM 974 CG2 ILE A 68 12.193 7.461 3.355 1.00 25.70 C +ATOM 975 CD1 ILE A 68 10.591 5.210 4.596 1.00 23.75 C +ATOM 976 H ILE A 68 8.785 6.861 1.451 1.00 24.75 H +ATOM 977 HA ILE A 68 9.818 8.812 2.837 1.00 27.61 H +ATOM 978 HB ILE A 68 11.019 6.365 2.107 1.00 27.85 H +ATOM 979 HG12 ILE A 68 9.841 7.128 4.587 1.00 22.77 H +ATOM 980 HG13 ILE A 68 9.119 6.182 3.533 1.00 22.77 H +ATOM 981 HG21 ILE A 68 12.455 6.841 4.054 1.00 30.86 H +ATOM 982 HG22 ILE A 68 12.851 7.453 2.642 1.00 30.86 H +ATOM 983 HG23 ILE A 68 12.112 8.357 3.720 1.00 30.86 H +ATOM 984 HD11 ILE A 68 10.187 5.101 5.472 1.00 28.51 H +ATOM 985 HD12 ILE A 68 10.415 4.426 4.052 1.00 28.51 H +ATOM 986 HD13 ILE A 68 11.547 5.343 4.688 1.00 28.51 H +ATOM 987 N ARG A 69 11.034 8.534 -0.121 1.00 24.71 N +ATOM 988 CA ARG A 69 11.771 9.313 -1.120 1.00 25.85 C +ATOM 989 C ARG A 69 11.196 10.729 -1.211 1.00 24.10 C +ATOM 990 O ARG A 69 11.950 11.719 -1.322 1.00 28.04 O +ATOM 991 CB ARG A 69 11.673 8.606 -2.478 1.00 28.46 C +ATOM 992 CG ARG A 69 12.879 7.708 -2.815 1.00 38.68 C +ATOM 993 CD ARG A 69 13.056 7.671 -4.376 1.00 44.74 C +ATOM 994 NE ARG A 69 11.757 7.525 -5.015 1.00 59.54 N +ATOM 995 CZ ARG A 69 11.503 6.922 -6.164 1.00 62.75 C +ATOM 996 NH1 ARG A 69 12.450 6.306 -6.852 1.00 63.24 N1+ +ATOM 997 NH2 ARG A 69 10.255 6.938 -6.629 1.00 52.06 N +ATOM 998 H ARG A 69 10.674 7.811 -0.417 1.00 29.67 H +ATOM 999 HA ARG A 69 12.707 9.374 -0.873 1.00 31.03 H +ATOM 1000 HB2 ARG A 69 10.880 8.047 -2.480 1.00 34.17 H +ATOM 1001 HB3 ARG A 69 11.605 9.280 -3.174 1.00 34.17 H +ATOM 1002 HG2 ARG A 69 13.685 8.068 -2.413 1.00 46.44 H +ATOM 1003 HG3 ARG A 69 12.722 6.806 -2.492 1.00 46.44 H +ATOM 1004 HD2 ARG A 69 13.461 8.499 -4.679 1.00 53.71 H +ATOM 1005 HD3 ARG A 69 13.613 6.918 -4.625 1.00 53.71 H +ATOM 1006 HE ARG A 69 11.084 7.866 -4.602 1.00 71.46 H +ATOM 1007 HH11 ARG A 69 13.257 6.292 -6.554 1.00 75.91 H +ATOM 1008 HH12 ARG A 69 12.259 5.921 -7.597 1.00 75.91 H +ATOM 1009 HH21 ARG A 69 9.636 7.333 -6.184 1.00 62.48 H +ATOM 1010 HH22 ARG A 69 10.070 6.550 -7.374 1.00 62.48 H +ATOM 1011 N THR A 70 9.869 10.863 -1.102 1.00 24.37 N +ATOM 1012 CA THR A 70 9.312 12.199 -1.233 1.00 26.28 C +ATOM 1013 C THR A 70 9.685 13.069 -0.044 1.00 32.55 C +ATOM 1014 O THR A 70 9.726 14.303 -0.167 1.00 29.37 O +ATOM 1015 CB THR A 70 7.791 12.261 -1.383 1.00 29.01 C +ATOM 1016 CG2 THR A 70 7.324 11.425 -2.570 1.00 33.56 C +ATOM 1017 OG1 THR A 70 7.093 11.860 -0.197 1.00 34.93 O +ATOM 1018 H THR A 70 9.306 10.228 -0.960 1.00 29.26 H +ATOM 1019 HA THR A 70 9.670 12.540 -2.068 1.00 31.55 H +ATOM 1020 HB THR A 70 7.558 13.188 -1.541 1.00 34.83 H +ATOM 1021 HG1 THR A 70 6.337 12.224 -0.173 1.00 41.93 H +ATOM 1022 HG21 THR A 70 6.631 11.898 -3.057 1.00 40.29 H +ATOM 1023 HG22 THR A 70 8.069 11.255 -3.169 1.00 40.29 H +ATOM 1024 HG23 THR A 70 6.970 10.577 -2.261 1.00 40.29 H +ATOM 1025 N PHE A 71 9.966 12.463 1.109 1.00 28.43 N +ATOM 1026 CA PHE A 71 10.469 13.214 2.258 1.00 26.89 C +ATOM 1027 C PHE A 71 11.867 13.786 2.040 1.00 26.45 C +ATOM 1028 O PHE A 71 12.323 14.610 2.848 1.00 29.38 O +ATOM 1029 CB PHE A 71 10.519 12.295 3.485 1.00 24.81 C +ATOM 1030 CG PHE A 71 9.175 11.763 3.915 1.00 26.52 C +ATOM 1031 CD1 PHE A 71 8.008 12.371 3.503 1.00 31.38 C +ATOM 1032 CD2 PHE A 71 9.087 10.698 4.816 1.00 23.33 C +ATOM 1033 CE1 PHE A 71 6.799 11.923 3.908 1.00 28.73 C +ATOM 1034 CE2 PHE A 71 7.874 10.293 5.286 1.00 21.83 C +ATOM 1035 CZ PHE A 71 6.717 10.857 4.797 1.00 23.58 C +ATOM 1036 H PHE A 71 9.874 11.620 1.252 1.00 34.13 H +ATOM 1037 HA PHE A 71 9.861 13.951 2.424 1.00 32.29 H +ATOM 1038 HB2 PHE A 71 11.084 11.534 3.278 1.00 29.78 H +ATOM 1039 HB3 PHE A 71 10.892 12.792 4.229 1.00 29.78 H +ATOM 1040 HD1 PHE A 71 8.054 13.104 2.933 1.00 37.67 H +ATOM 1041 HD2 PHE A 71 9.860 10.264 5.097 1.00 28.01 H +ATOM 1042 HE1 PHE A 71 6.023 12.328 3.594 1.00 34.49 H +ATOM 1043 HE2 PHE A 71 7.827 9.635 5.941 1.00 26.21 H +ATOM 1044 HZ PHE A 71 5.888 10.526 5.058 1.00 28.31 H +ATOM 1045 N GLY A 72 12.588 13.336 1.012 1.00 25.83 N +ATOM 1046 CA GLY A 72 13.944 13.801 0.796 1.00 28.87 C +ATOM 1047 C GLY A 72 15.009 13.094 1.596 1.00 28.11 C +ATOM 1048 O GLY A 72 16.129 13.614 1.723 1.00 30.06 O +ATOM 1049 H GLY A 72 12.310 12.766 0.430 1.00 31.01 H +ATOM 1050 HA2 GLY A 72 14.161 13.691 -0.143 1.00 34.66 H +ATOM 1051 HA3 GLY A 72 13.985 14.743 1.021 1.00 34.66 H +ATOM 1052 N VAL A 73 14.730 11.907 2.130 1.00 26.68 N +ATOM 1053 CA VAL A 73 15.655 11.242 3.043 1.00 25.46 C +ATOM 1054 C VAL A 73 16.480 10.239 2.272 1.00 32.13 C +ATOM 1055 O VAL A 73 15.921 9.346 1.623 1.00 32.07 O +ATOM 1056 CB VAL A 73 14.906 10.559 4.196 1.00 30.82 C +ATOM 1057 CG1 VAL A 73 15.843 9.793 5.093 1.00 34.11 C +ATOM 1058 CG2 VAL A 73 14.121 11.636 4.980 1.00 28.99 C +ATOM 1059 H VAL A 73 14.006 11.466 1.978 1.00 32.03 H +ATOM 1060 HA VAL A 73 16.259 11.905 3.414 1.00 30.57 H +ATOM 1061 HB VAL A 73 14.283 9.906 3.838 1.00 37.00 H +ATOM 1062 HG11 VAL A 73 15.328 9.368 5.797 1.00 40.94 H +ATOM 1063 HG12 VAL A 73 16.304 9.120 4.569 1.00 40.94 H +ATOM 1064 HG13 VAL A 73 16.485 10.409 5.480 1.00 40.94 H +ATOM 1065 HG21 VAL A 73 13.430 11.204 5.506 1.00 34.80 H +ATOM 1066 HG22 VAL A 73 14.734 12.110 5.564 1.00 34.80 H +ATOM 1067 HG23 VAL A 73 13.718 12.255 4.350 1.00 34.80 H +ATOM 1068 N LYS A 74 17.799 10.339 2.382 1.00 23.30 N +ATOM 1069 CA LYS A 74 18.659 9.335 1.769 1.00 34.57 C +ATOM 1070 C LYS A 74 18.635 8.026 2.561 1.00 31.23 C +ATOM 1071 O LYS A 74 18.346 8.000 3.768 1.00 27.51 O +ATOM 1072 CB LYS A 74 20.126 9.773 1.659 1.00 38.87 C +ATOM 1073 CG LYS A 74 20.468 11.198 1.181 1.00 51.85 C +ATOM 1074 CD LYS A 74 20.629 11.302 -0.343 1.00 53.84 C +ATOM 1075 CE LYS A 74 20.562 12.762 -0.886 1.00 63.74 C +ATOM 1076 NZ LYS A 74 19.583 13.717 -0.217 1.00 54.25 N1+ +ATOM 1077 H LYS A 74 18.214 10.967 2.800 1.00 27.97 H +ATOM 1078 HA LYS A 74 18.314 9.200 0.874 1.00 41.50 H +ATOM 1079 HB2 LYS A 74 20.520 9.682 2.541 1.00 46.66 H +ATOM 1080 HB3 LYS A 74 20.560 9.168 1.038 1.00 46.66 H +ATOM 1081 HG2 LYS A 74 19.755 11.799 1.447 1.00 62.23 H +ATOM 1082 HG3 LYS A 74 21.303 11.474 1.588 1.00 62.23 H +ATOM 1083 HD2 LYS A 74 21.491 10.934 -0.592 1.00 64.63 H +ATOM 1084 HD3 LYS A 74 19.918 10.796 -0.767 1.00 64.63 H +ATOM 1085 HE2 LYS A 74 21.443 13.157 -0.793 1.00 76.51 H +ATOM 1086 HE3 LYS A 74 20.315 12.722 -1.823 1.00 76.51 H +ATOM 1087 HZ1 LYS A 74 19.211 14.248 -0.826 1.00 65.11 H +ATOM 1088 HZ2 LYS A 74 18.941 13.256 0.193 1.00 65.11 H +ATOM 1089 HZ3 LYS A 74 20.007 14.218 0.383 1.00 65.11 H +ATOM 1090 N GLY A 75 18.972 6.926 1.879 1.00 29.80 N +ATOM 1091 CA GLY A 75 18.853 5.606 2.505 1.00 30.67 C +ATOM 1092 C GLY A 75 17.433 5.083 2.639 1.00 25.07 C +ATOM 1093 O GLY A 75 17.149 4.276 3.540 1.00 26.59 O +ATOM 1094 H GLY A 75 19.266 6.917 1.070 1.00 35.78 H +ATOM 1095 HA2 GLY A 75 19.355 4.966 1.976 1.00 36.81 H +ATOM 1096 HA3 GLY A 75 19.237 5.650 3.395 1.00 36.81 H +ATOM 1097 N ALA A 76 16.534 5.535 1.763 1.00 23.60 N +ATOM 1098 CA ALA A 76 15.137 5.138 1.857 1.00 21.32 C +ATOM 1099 C ALA A 76 14.944 3.629 1.793 1.00 26.96 C +ATOM 1100 O ALA A 76 14.069 3.123 2.511 1.00 26.52 O +ATOM 1101 CB ALA A 76 14.318 5.829 0.765 1.00 24.25 C +ATOM 1102 H ALA A 76 16.709 6.067 1.111 1.00 28.33 H +ATOM 1103 HA ALA A 76 14.808 5.444 2.717 1.00 25.60 H +ATOM 1104 HB1 ALA A 76 13.382 5.818 1.018 1.00 29.12 H +ATOM 1105 HB2 ALA A 76 14.626 6.743 0.670 1.00 29.12 H +ATOM 1106 HB3 ALA A 76 14.441 5.352 -0.070 1.00 29.12 H +ATOM 1107 N PRO A 77 15.670 2.861 0.972 1.00 24.77 N +ATOM 1108 CA PRO A 77 15.429 1.400 1.000 1.00 22.35 C +ATOM 1109 C PRO A 77 15.693 0.797 2.372 1.00 21.05 C +ATOM 1110 O PRO A 77 14.895 0.003 2.881 1.00 22.73 O +ATOM 1111 CB PRO A 77 16.400 0.847 -0.059 1.00 28.86 C +ATOM 1112 CG PRO A 77 16.651 2.011 -0.989 1.00 34.47 C +ATOM 1113 CD PRO A 77 16.667 3.239 -0.042 1.00 29.55 C +ATOM 1114 HA PRO A 77 14.520 1.209 0.719 1.00 26.83 H +ATOM 1115 HB2 PRO A 77 17.222 0.554 0.365 1.00 34.64 H +ATOM 1116 HB3 PRO A 77 15.989 0.105 -0.532 1.00 34.64 H +ATOM 1117 HG2 PRO A 77 17.502 1.903 -1.440 1.00 41.38 H +ATOM 1118 HG3 PRO A 77 15.935 2.080 -1.640 1.00 41.38 H +ATOM 1119 HD2 PRO A 77 17.543 3.363 0.355 1.00 35.48 H +ATOM 1120 HD3 PRO A 77 16.400 4.046 -0.512 1.00 35.48 H +ATOM 1121 N LYS A 78 16.790 1.194 3.003 1.00 22.05 N +ATOM 1122 CA LYS A 78 17.136 0.665 4.299 1.00 28.48 C +ATOM 1123 C LYS A 78 16.101 1.063 5.338 1.00 25.88 C +ATOM 1124 O LYS A 78 15.686 0.245 6.174 1.00 20.69 O +ATOM 1125 CB LYS A 78 18.509 1.170 4.648 1.00 31.43 C +ATOM 1126 CG LYS A 78 19.648 0.326 4.103 1.00 45.76 C +ATOM 1127 CD LYS A 78 20.162 -0.402 5.311 1.00 55.48 C +ATOM 1128 CE LYS A 78 21.234 0.536 5.915 1.00 61.89 C +ATOM 1129 NZ LYS A 78 21.340 0.266 7.467 1.00 74.52 N1+ +ATOM 1130 H LYS A 78 17.348 1.773 2.697 1.00 26.48 H +ATOM 1131 HA LYS A 78 17.159 -0.304 4.288 1.00 34.19 H +ATOM 1132 HB2 LYS A 78 18.609 2.065 4.289 1.00 37.74 H +ATOM 1133 HB3 LYS A 78 18.595 1.189 5.614 1.00 37.74 H +ATOM 1134 HG2 LYS A 78 19.331 -0.305 3.439 1.00 54.93 H +ATOM 1135 HG3 LYS A 78 20.347 0.883 3.724 1.00 54.93 H +ATOM 1136 HD2 LYS A 78 19.450 -0.551 5.954 1.00 66.59 H +ATOM 1137 HD3 LYS A 78 20.565 -1.248 5.060 1.00 66.59 H +ATOM 1138 HE2 LYS A 78 22.095 0.361 5.505 1.00 74.28 H +ATOM 1139 HE3 LYS A 78 20.982 1.462 5.773 1.00 74.28 H +ATOM 1140 HZ1 LYS A 78 21.955 0.800 7.827 1.00 89.44 H +ATOM 1141 HZ2 LYS A 78 20.556 0.423 7.857 1.00 89.44 H +ATOM 1142 HZ3 LYS A 78 21.571 -0.581 7.613 1.00 89.44 H +ATOM 1143 N LEU A 79 15.640 2.309 5.280 1.00 24.16 N +ATOM 1144 CA LEU A 79 14.627 2.736 6.245 1.00 24.08 C +ATOM 1145 C LEU A 79 13.326 1.968 6.064 1.00 21.37 C +ATOM 1146 O LEU A 79 12.665 1.592 7.050 1.00 21.97 O +ATOM 1147 CB LEU A 79 14.350 4.221 6.094 1.00 19.47 C +ATOM 1148 CG LEU A 79 15.540 5.059 6.510 1.00 23.29 C +ATOM 1149 CD1 LEU A 79 15.464 6.450 5.970 1.00 26.08 C +ATOM 1150 CD2 LEU A 79 15.569 5.140 8.049 1.00 27.10 C +ATOM 1151 H LEU A 79 15.887 2.908 4.713 1.00 29.01 H +ATOM 1152 HA LEU A 79 14.972 2.566 7.136 1.00 28.91 H +ATOM 1153 HB2 LEU A 79 14.151 4.415 5.164 1.00 23.38 H +ATOM 1154 HB3 LEU A 79 13.595 4.465 6.653 1.00 23.38 H +ATOM 1155 HG LEU A 79 16.344 4.646 6.160 1.00 27.96 H +ATOM 1156 HD11 LEU A 79 16.271 6.929 6.217 1.00 31.31 H +ATOM 1157 HD12 LEU A 79 15.386 6.410 5.004 1.00 31.31 H +ATOM 1158 HD13 LEU A 79 14.689 6.894 6.347 1.00 31.31 H +ATOM 1159 HD21 LEU A 79 16.405 5.547 8.328 1.00 32.54 H +ATOM 1160 HD22 LEU A 79 14.822 5.680 8.351 1.00 32.54 H +ATOM 1161 HD23 LEU A 79 15.499 4.244 8.413 1.00 32.54 H +ATOM 1162 N THR A 80 12.933 1.777 4.798 1.00 19.33 N +ATOM 1163 CA THR A 80 11.716 1.057 4.469 1.00 18.90 C +ATOM 1164 C THR A 80 11.799 -0.347 5.038 1.00 20.74 C +ATOM 1165 O THR A 80 10.882 -0.797 5.727 1.00 23.20 O +ATOM 1166 CB THR A 80 11.498 1.072 2.951 1.00 24.43 C +ATOM 1167 CG2 THR A 80 10.226 0.360 2.532 1.00 21.91 C +ATOM 1168 OG1 THR A 80 11.454 2.445 2.527 1.00 22.32 O +ATOM 1169 H THR A 80 13.362 2.061 4.109 1.00 23.21 H +ATOM 1170 HA THR A 80 10.938 1.490 4.857 1.00 22.70 H +ATOM 1171 HB THR A 80 12.222 0.594 2.517 1.00 29.33 H +ATOM 1172 HG1 THR A 80 12.235 2.746 2.451 1.00 26.80 H +ATOM 1173 HG21 THR A 80 10.305 0.050 1.617 1.00 26.31 H +ATOM 1174 HG22 THR A 80 10.068 -0.404 3.110 1.00 26.31 H +ATOM 1175 HG23 THR A 80 9.471 0.964 2.596 1.00 26.31 H +ATOM 1176 N ILE A 81 12.921 -1.034 4.795 1.00 25.00 N +ATOM 1177 CA ILE A 81 13.104 -2.393 5.340 1.00 21.64 C +ATOM 1178 C ILE A 81 13.000 -2.380 6.853 1.00 27.60 C +ATOM 1179 O ILE A 81 12.349 -3.235 7.461 1.00 23.32 O +ATOM 1180 CB ILE A 81 14.449 -2.995 4.904 1.00 23.31 C +ATOM 1181 CG1 ILE A 81 14.412 -3.214 3.402 1.00 22.75 C +ATOM 1182 CG2 ILE A 81 14.703 -4.293 5.711 1.00 25.67 C +ATOM 1183 CD1 ILE A 81 15.824 -3.395 2.776 1.00 24.58 C +ATOM 1184 H ILE A 81 13.581 -0.745 4.327 1.00 30.01 H +ATOM 1185 HA ILE A 81 12.393 -2.944 4.979 1.00 25.98 H +ATOM 1186 HB ILE A 81 15.191 -2.397 5.091 1.00 27.99 H +ATOM 1187 HG12 ILE A 81 13.897 -4.014 3.214 1.00 27.31 H +ATOM 1188 HG13 ILE A 81 13.996 -2.445 2.983 1.00 27.31 H +ATOM 1189 HG21 ILE A 81 15.565 -4.658 5.457 1.00 30.82 H +ATOM 1190 HG22 ILE A 81 14.698 -4.082 6.657 1.00 30.82 H +ATOM 1191 HG23 ILE A 81 14.002 -4.931 5.510 1.00 30.82 H +ATOM 1192 HD11 ILE A 81 15.753 -3.326 1.811 1.00 29.51 H +ATOM 1193 HD12 ILE A 81 16.411 -2.701 3.114 1.00 29.51 H +ATOM 1194 HD13 ILE A 81 16.169 -4.267 3.021 1.00 29.51 H +ATOM 1195 N HIS A 82 13.691 -1.440 7.486 1.00 22.25 N +ATOM 1196 CA HIS A 82 13.671 -1.413 8.933 1.00 22.64 C +ATOM 1197 C HIS A 82 12.255 -1.213 9.474 1.00 25.29 C +ATOM 1198 O HIS A 82 11.848 -1.894 10.429 1.00 24.59 O +ATOM 1199 CB HIS A 82 14.557 -0.318 9.484 1.00 23.11 C +ATOM 1200 CG HIS A 82 14.355 -0.103 10.953 1.00 23.29 C +ATOM 1201 CD2 HIS A 82 13.615 0.818 11.614 1.00 32.73 C +ATOM 1202 ND1 HIS A 82 14.883 -0.931 11.919 1.00 29.56 N +ATOM 1203 CE1 HIS A 82 14.530 -0.495 13.115 1.00 33.38 C +ATOM 1204 NE2 HIS A 82 13.738 0.550 12.957 1.00 29.55 N +ATOM 1205 H HIS A 82 14.164 -0.827 7.111 1.00 26.72 H +ATOM 1206 HA HIS A 82 14.017 -2.268 9.234 1.00 27.18 H +ATOM 1207 HB2 HIS A 82 15.485 -0.559 9.339 1.00 27.75 H +ATOM 1208 HB3 HIS A 82 14.355 0.513 9.026 1.00 27.75 H +ATOM 1209 HD1 HIS A 82 15.368 -1.624 11.767 1.00 35.49 H +ATOM 1210 HD2 HIS A 82 13.117 1.504 11.233 1.00 39.30 H +ATOM 1211 HE1 HIS A 82 14.793 -0.862 13.928 1.00 40.07 H +ATOM 1212 N LEU A 83 11.480 -0.311 8.852 1.00 21.82 N +ATOM 1213 CA LEU A 83 10.112 -0.059 9.302 1.00 21.93 C +ATOM 1214 C LEU A 83 9.230 -1.288 9.076 1.00 19.73 C +ATOM 1215 O LEU A 83 8.456 -1.669 9.962 1.00 18.47 O +ATOM 1216 CB LEU A 83 9.515 1.160 8.590 1.00 17.89 C +ATOM 1217 CG LEU A 83 10.094 2.521 8.971 1.00 20.28 C +ATOM 1218 CD1 LEU A 83 9.693 3.595 8.009 1.00 21.68 C +ATOM 1219 CD2 LEU A 83 9.574 2.918 10.345 1.00 21.22 C +ATOM 1220 H LEU A 83 11.725 0.161 8.176 1.00 26.20 H +ATOM 1221 HA LEU A 83 10.135 0.141 10.251 1.00 26.33 H +ATOM 1222 HB2 LEU A 83 9.653 1.050 7.636 1.00 21.48 H +ATOM 1223 HB3 LEU A 83 8.566 1.188 8.787 1.00 21.48 H +ATOM 1224 HG LEU A 83 11.061 2.443 8.966 1.00 24.35 H +ATOM 1225 HD11 LEU A 83 10.224 4.389 8.181 1.00 26.03 H +ATOM 1226 HD12 LEU A 83 9.850 3.284 7.104 1.00 26.03 H +ATOM 1227 HD13 LEU A 83 8.751 3.794 8.131 1.00 26.03 H +ATOM 1228 HD21 LEU A 83 9.181 3.803 10.290 1.00 25.48 H +ATOM 1229 HD22 LEU A 83 8.904 2.276 10.627 1.00 25.48 H +ATOM 1230 HD23 LEU A 83 10.313 2.923 10.973 1.00 25.48 H +ATOM 1231 N LEU A 84 9.378 -1.948 7.915 1.00 18.90 N +ATOM 1232 CA LEU A 84 8.558 -3.121 7.605 1.00 18.96 C +ATOM 1233 C LEU A 84 8.847 -4.254 8.574 1.00 24.38 C +ATOM 1234 O LEU A 84 7.993 -5.126 8.800 1.00 22.30 O +ATOM 1235 CB LEU A 84 8.862 -3.606 6.192 1.00 18.27 C +ATOM 1236 CG LEU A 84 8.440 -2.683 5.048 1.00 19.63 C +ATOM 1237 CD1 LEU A 84 9.184 -3.072 3.748 1.00 24.14 C +ATOM 1238 CD2 LEU A 84 6.893 -2.792 4.868 1.00 19.77 C +ATOM 1239 H LEU A 84 9.941 -1.736 7.299 1.00 22.70 H +ATOM 1240 HA LEU A 84 7.622 -2.872 7.663 1.00 22.77 H +ATOM 1241 HB2 LEU A 84 9.820 -3.732 6.117 1.00 21.94 H +ATOM 1242 HB3 LEU A 84 8.404 -4.451 6.059 1.00 21.94 H +ATOM 1243 HG LEU A 84 8.669 -1.761 5.244 1.00 23.58 H +ATOM 1244 HD11 LEU A 84 8.844 -2.532 3.017 1.00 28.98 H +ATOM 1245 HD12 LEU A 84 10.132 -2.907 3.867 1.00 28.98 H +ATOM 1246 HD13 LEU A 84 9.031 -4.011 3.566 1.00 28.98 H +ATOM 1247 HD21 LEU A 84 6.660 -2.519 3.967 1.00 23.74 H +ATOM 1248 HD22 LEU A 84 6.623 -3.712 5.016 1.00 23.74 H +ATOM 1249 HD23 LEU A 84 6.459 -2.212 5.512 1.00 23.74 H +ATOM 1250 N ASP A 85 10.061 -4.274 9.123 1.00 20.58 N +ATOM 1251 CA ASP A 85 10.490 -5.333 10.014 1.00 24.47 C +ATOM 1252 C ASP A 85 10.232 -5.011 11.472 1.00 27.89 C +ATOM 1253 O ASP A 85 10.380 -5.902 12.303 1.00 29.58 O +ATOM 1254 CB ASP A 85 11.994 -5.670 9.808 1.00 25.30 C +ATOM 1255 CG ASP A 85 12.270 -6.432 8.506 1.00 25.13 C +ATOM 1256 OD1 ASP A 85 11.308 -6.927 7.850 1.00 22.29 O +ATOM 1257 OD2 ASP A 85 13.486 -6.494 8.152 1.00 26.73 O1- +ATOM 1258 H ASP A 85 10.660 -3.671 8.987 1.00 24.71 H +ATOM 1259 HA ASP A 85 9.994 -6.135 9.789 1.00 29.38 H +ATOM 1260 HB2 ASP A 85 12.501 -4.843 9.783 1.00 30.37 H +ATOM 1261 HB3 ASP A 85 12.296 -6.222 10.547 1.00 30.37 H +ATOM 1262 N SER A 86 9.834 -3.783 11.819 1.00 16.72 N +ATOM 1263 CA SER A 86 9.687 -3.383 13.214 1.00 21.43 C +ATOM 1264 C SER A 86 8.317 -2.825 13.540 1.00 23.13 C +ATOM 1265 O SER A 86 8.097 -2.434 14.698 1.00 25.58 O +ATOM 1266 CB SER A 86 10.750 -2.343 13.593 1.00 23.51 C +ATOM 1267 OG SER A 86 10.604 -1.156 12.794 1.00 25.74 O +ATOM 1268 H SER A 86 9.643 -3.162 11.256 1.00 20.08 H +ATOM 1269 HA SER A 86 9.827 -4.170 13.763 1.00 25.73 H +ATOM 1270 HB2 SER A 86 10.646 -2.110 14.528 1.00 28.22 H +ATOM 1271 HB3 SER A 86 11.630 -2.721 13.441 1.00 28.22 H +ATOM 1272 HG SER A 86 11.343 -0.944 12.456 1.00 30.91 H +ATOM 1273 N GLU A 87 7.401 -2.750 12.568 1.00 20.19 N +ATOM 1274 CA GLU A 87 6.096 -2.135 12.781 1.00 21.43 C +ATOM 1275 C GLU A 87 5.011 -3.074 12.288 1.00 19.27 C +ATOM 1276 O GLU A 87 5.253 -3.907 11.407 1.00 19.65 O +ATOM 1277 CB GLU A 87 5.933 -0.783 12.059 1.00 20.14 C +ATOM 1278 CG GLU A 87 6.939 0.269 12.400 1.00 21.74 C +ATOM 1279 CD GLU A 87 6.697 0.949 13.725 1.00 22.58 C +ATOM 1280 OE1 GLU A 87 5.718 0.550 14.388 1.00 23.11 O +ATOM 1281 OE2 GLU A 87 7.480 1.886 14.055 1.00 22.02 O1- +ATOM 1282 H GLU A 87 7.518 -3.053 11.772 1.00 24.24 H +ATOM 1283 HA GLU A 87 5.993 -1.977 13.733 1.00 25.73 H +ATOM 1284 HB2 GLU A 87 5.995 -0.939 11.104 1.00 24.18 H +ATOM 1285 HB3 GLU A 87 5.058 -0.425 12.280 1.00 24.18 H +ATOM 1286 HG2 GLU A 87 7.816 -0.142 12.438 1.00 26.10 H +ATOM 1287 HG3 GLU A 87 6.921 0.951 11.712 1.00 26.10 H +ATOM 1288 N ASP A 88 3.816 -2.930 12.874 1.00 17.98 N +ATOM 1289 CA ASP A 88 2.634 -3.601 12.351 1.00 22.26 C +ATOM 1290 C ASP A 88 2.319 -3.073 10.960 1.00 19.12 C +ATOM 1291 O ASP A 88 2.197 -1.852 10.742 1.00 19.54 O +ATOM 1292 CB ASP A 88 1.439 -3.396 13.260 1.00 23.52 C +ATOM 1293 CG ASP A 88 0.158 -3.928 12.667 1.00 24.56 C +ATOM 1294 OD1 ASP A 88 0.001 -5.159 12.603 1.00 25.18 O +ATOM 1295 OD2 ASP A 88 -0.709 -3.104 12.270 1.00 21.08 O1- +ATOM 1296 H ASP A 88 3.670 -2.450 13.573 1.00 21.59 H +ATOM 1297 HA ASP A 88 2.808 -4.555 12.306 1.00 26.72 H +ATOM 1298 HB2 ASP A 88 1.596 -3.858 14.098 1.00 28.24 H +ATOM 1299 HB3 ASP A 88 1.324 -2.446 13.421 1.00 28.24 H +ATOM 1300 N LEU A 89 2.191 -4.008 10.009 1.00 20.78 N +ATOM 1301 CA LEU A 89 2.100 -3.594 8.614 1.00 19.19 C +ATOM 1302 C LEU A 89 0.884 -2.716 8.375 1.00 19.60 C +ATOM 1303 O LEU A 89 0.981 -1.727 7.638 1.00 19.30 O +ATOM 1304 CB LEU A 89 2.068 -4.808 7.703 1.00 24.97 C +ATOM 1305 CG LEU A 89 3.474 -5.425 7.619 1.00 39.51 C +ATOM 1306 CD1 LEU A 89 3.435 -6.215 6.226 1.00 35.42 C +ATOM 1307 CD2 LEU A 89 4.711 -4.551 7.675 1.00 35.89 C +ATOM 1308 H LEU A 89 2.157 -4.857 10.144 1.00 24.95 H +ATOM 1309 HA LEU A 89 2.891 -3.078 8.395 1.00 23.04 H +ATOM 1310 HB2 LEU A 89 1.455 -5.470 8.060 1.00 29.98 H +ATOM 1311 HB3 LEU A 89 1.788 -4.542 6.813 1.00 29.98 H +ATOM 1312 HG LEU A 89 3.613 -5.936 8.432 1.00 47.42 H +ATOM 1313 HD11 LEU A 89 4.046 -6.966 6.273 1.00 42.52 H +ATOM 1314 HD12 LEU A 89 2.532 -6.531 6.069 1.00 42.52 H +ATOM 1315 HD13 LEU A 89 3.704 -5.613 5.515 1.00 42.52 H +ATOM 1316 HD21 LEU A 89 5.417 -4.972 7.162 1.00 43.08 H +ATOM 1317 HD22 LEU A 89 4.500 -3.683 7.298 1.00 43.08 H +ATOM 1318 HD23 LEU A 89 4.985 -4.452 8.600 1.00 43.08 H +ATOM 1319 N ARG A 90 -0.277 -3.062 8.981 1.00 18.95 N +ATOM 1320 CA ARG A 90 -1.480 -2.270 8.715 1.00 24.86 C +ATOM 1321 C ARG A 90 -1.328 -0.857 9.266 1.00 21.65 C +ATOM 1322 O ARG A 90 -1.616 0.119 8.590 1.00 19.48 O +ATOM 1323 CB ARG A 90 -2.716 -2.948 9.301 1.00 24.66 C +ATOM 1324 CG ARG A 90 -3.987 -2.254 8.939 1.00 21.13 C +ATOM 1325 CD ARG A 90 -5.169 -2.979 9.520 1.00 23.94 C +ATOM 1326 NE ARG A 90 -5.288 -4.352 9.010 1.00 22.43 N +ATOM 1327 CZ ARG A 90 -5.970 -4.649 7.915 1.00 25.49 C +ATOM 1328 NH1 ARG A 90 -6.576 -3.700 7.215 1.00 26.54 N1+ +ATOM 1329 NH2 ARG A 90 -6.066 -5.926 7.524 1.00 26.91 N +ATOM 1330 H ARG A 90 -0.380 -3.721 9.523 1.00 22.75 H +ATOM 1331 HA ARG A 90 -1.608 -2.216 7.755 1.00 29.84 H +ATOM 1332 HB2 ARG A 90 -2.766 -3.857 8.966 1.00 29.60 H +ATOM 1333 HB3 ARG A 90 -2.643 -2.954 10.268 1.00 29.60 H +ATOM 1334 HG2 ARG A 90 -3.975 -1.350 9.291 1.00 25.37 H +ATOM 1335 HG3 ARG A 90 -4.082 -2.233 7.973 1.00 25.37 H +ATOM 1336 HD2 ARG A 90 -5.074 -3.021 10.483 1.00 28.75 H +ATOM 1337 HD3 ARG A 90 -5.981 -2.500 9.287 1.00 28.75 H +ATOM 1338 HE ARG A 90 -4.900 -4.987 9.441 1.00 26.93 H +ATOM 1339 HH11 ARG A 90 -6.528 -2.881 7.473 1.00 31.86 H +ATOM 1340 HH12 ARG A 90 -7.015 -3.903 6.505 1.00 31.86 H +ATOM 1341 HH21 ARG A 90 -5.688 -6.546 7.984 1.00 32.30 H +ATOM 1342 HH22 ARG A 90 -6.507 -6.126 6.813 1.00 32.30 H +ATOM 1343 N ALA A 91 -0.902 -0.744 10.514 1.00 18.46 N +ATOM 1344 CA ALA A 91 -0.701 0.569 11.111 1.00 20.52 C +ATOM 1345 C ALA A 91 0.317 1.400 10.334 1.00 21.61 C +ATOM 1346 O ALA A 91 0.145 2.619 10.180 1.00 20.23 O +ATOM 1347 CB ALA A 91 -0.279 0.352 12.566 1.00 19.96 C +ATOM 1348 H ALA A 91 -0.720 -1.405 11.033 1.00 22.17 H +ATOM 1349 HA ALA A 91 -1.524 1.082 11.094 1.00 24.64 H +ATOM 1350 HB1 ALA A 91 -0.321 1.199 13.036 1.00 23.96 H +ATOM 1351 HB2 ALA A 91 -0.883 -0.286 12.978 1.00 23.96 H +ATOM 1352 HB3 ALA A 91 0.627 0.009 12.583 1.00 23.96 H +ATOM 1353 N LEU A 92 1.421 0.784 9.921 1.00 19.47 N +ATOM 1354 CA LEU A 92 2.446 1.495 9.162 1.00 16.95 C +ATOM 1355 C LEU A 92 1.870 2.081 7.883 1.00 17.84 C +ATOM 1356 O LEU A 92 2.187 3.226 7.502 1.00 18.30 O +ATOM 1357 CB LEU A 92 3.592 0.543 8.889 1.00 14.06 C +ATOM 1358 CG LEU A 92 4.767 0.946 7.990 1.00 19.19 C +ATOM 1359 CD1 LEU A 92 5.436 2.174 8.670 1.00 21.31 C +ATOM 1360 CD2 LEU A 92 5.768 -0.153 7.805 1.00 21.13 C +ATOM 1361 H LEU A 92 1.603 -0.044 10.065 1.00 23.38 H +ATOM 1362 HA LEU A 92 2.794 2.241 9.676 1.00 20.36 H +ATOM 1363 HB2 LEU A 92 3.982 0.318 9.748 1.00 16.89 H +ATOM 1364 HB3 LEU A 92 3.208 -0.249 8.482 1.00 16.89 H +ATOM 1365 HG LEU A 92 4.448 1.152 7.098 1.00 23.04 H +ATOM 1366 HD11 LEU A 92 6.220 2.430 8.159 1.00 25.59 H +ATOM 1367 HD12 LEU A 92 4.801 2.907 8.692 1.00 25.59 H +ATOM 1368 HD13 LEU A 92 5.694 1.933 9.573 1.00 25.59 H +ATOM 1369 HD21 LEU A 92 6.191 -0.053 6.937 1.00 25.37 H +ATOM 1370 HD22 LEU A 92 6.435 -0.094 8.507 1.00 25.37 H +ATOM 1371 HD23 LEU A 92 5.311 -1.008 7.853 1.00 25.37 H +ATOM 1372 N ALA A 93 1.034 1.295 7.197 1.00 19.20 N +ATOM 1373 CA ALA A 93 0.376 1.754 5.976 1.00 19.45 C +ATOM 1374 C ALA A 93 -0.532 2.950 6.269 1.00 18.00 C +ATOM 1375 O ALA A 93 -0.582 3.901 5.480 1.00 20.41 O +ATOM 1376 CB ALA A 93 -0.407 0.590 5.351 1.00 20.36 C +ATOM 1377 H ALA A 93 0.831 0.490 7.421 1.00 23.06 H +ATOM 1378 HA ALA A 93 1.039 2.041 5.329 1.00 23.35 H +ATOM 1379 HB1 ALA A 93 -1.348 0.822 5.321 1.00 24.45 H +ATOM 1380 HB2 ALA A 93 -0.077 0.434 4.452 1.00 24.45 H +ATOM 1381 HB3 ALA A 93 -0.278 -0.205 5.892 1.00 24.45 H +ATOM 1382 N HIS A 94 -1.244 2.933 7.409 1.00 21.11 N +ATOM 1383 CA HIS A 94 -2.050 4.095 7.758 1.00 20.52 C +ATOM 1384 C HIS A 94 -1.168 5.302 8.030 1.00 22.58 C +ATOM 1385 O HIS A 94 -1.522 6.425 7.662 1.00 22.37 O +ATOM 1386 CB HIS A 94 -2.964 3.804 8.955 1.00 22.63 C +ATOM 1387 CG HIS A 94 -4.138 2.959 8.594 1.00 22.57 C +ATOM 1388 CD2 HIS A 94 -4.481 1.708 8.989 1.00 21.56 C +ATOM 1389 ND1 HIS A 94 -5.059 3.332 7.635 1.00 22.50 N +ATOM 1390 CE1 HIS A 94 -5.939 2.352 7.486 1.00 21.61 C +ATOM 1391 NE2 HIS A 94 -5.596 1.348 8.279 1.00 23.04 N +ATOM 1392 H HIS A 94 -1.271 2.282 7.971 1.00 25.35 H +ATOM 1393 HA HIS A 94 -2.632 4.299 7.009 1.00 24.63 H +ATOM 1394 HB2 HIS A 94 -2.454 3.334 9.634 1.00 27.17 H +ATOM 1395 HB3 HIS A 94 -3.296 4.643 9.310 1.00 27.17 H +ATOM 1396 HD2 HIS A 94 -4.039 1.190 9.622 1.00 25.88 H +ATOM 1397 HE1 HIS A 94 -6.676 2.366 6.919 1.00 25.94 H +ATOM 1398 HE2 HIS A 94 -6.006 0.595 8.340 1.00 27.66 H +ATOM 1399 N LEU A 95 -0.003 5.122 8.662 1.00 20.90 N +ATOM 1400 CA LEU A 95 0.858 6.301 8.822 1.00 19.48 C +ATOM 1401 C LEU A 95 1.228 6.874 7.460 1.00 23.23 C +ATOM 1402 O LEU A 95 1.189 8.100 7.245 1.00 22.85 O +ATOM 1403 CB LEU A 95 2.142 5.970 9.581 1.00 24.29 C +ATOM 1404 CG LEU A 95 2.026 5.427 11.002 1.00 22.05 C +ATOM 1405 CD1 LEU A 95 3.499 5.432 11.605 1.00 20.92 C +ATOM 1406 CD2 LEU A 95 1.126 6.258 11.875 1.00 23.14 C +ATOM 1407 H LEU A 95 0.293 4.382 8.985 1.00 25.10 H +ATOM 1408 HA LEU A 95 0.363 6.952 9.345 1.00 23.39 H +ATOM 1409 HB2 LEU A 95 2.621 5.301 9.067 1.00 29.16 H +ATOM 1410 HB3 LEU A 95 2.666 6.784 9.637 1.00 29.16 H +ATOM 1411 HG LEU A 95 1.635 4.540 10.984 1.00 26.47 H +ATOM 1412 HD11 LEU A 95 3.454 5.228 12.552 1.00 25.11 H +ATOM 1413 HD12 LEU A 95 4.030 4.761 11.148 1.00 25.11 H +ATOM 1414 HD13 LEU A 95 3.891 6.310 11.474 1.00 25.11 H +ATOM 1415 HD21 LEU A 95 1.068 5.847 12.751 1.00 27.78 H +ATOM 1416 HD22 LEU A 95 1.498 7.151 11.953 1.00 27.78 H +ATOM 1417 HD23 LEU A 95 0.245 6.302 11.470 1.00 27.78 H +ATOM 1418 N MET A 96 1.679 5.998 6.555 1.00 20.12 N +ATOM 1419 CA MET A 96 2.017 6.397 5.192 1.00 23.15 C +ATOM 1420 C MET A 96 0.902 7.196 4.517 1.00 20.62 C +ATOM 1421 O MET A 96 1.156 8.212 3.862 1.00 23.20 O +ATOM 1422 CB MET A 96 2.291 5.147 4.355 1.00 20.44 C +ATOM 1423 CG MET A 96 2.614 5.397 2.853 1.00 20.52 C +ATOM 1424 SD MET A 96 2.977 3.785 2.061 1.00 24.69 S +ATOM 1425 CE MET A 96 1.270 3.219 1.879 1.00 23.20 C +ATOM 1426 H MET A 96 1.798 5.161 6.709 1.00 24.16 H +ATOM 1427 HA MET A 96 2.813 6.949 5.245 1.00 27.79 H +ATOM 1428 HB2 MET A 96 3.051 4.684 4.740 1.00 24.54 H +ATOM 1429 HB3 MET A 96 1.505 4.579 4.390 1.00 24.54 H +ATOM 1430 HG2 MET A 96 1.852 5.803 2.411 1.00 24.64 H +ATOM 1431 HG3 MET A 96 3.391 5.973 2.772 1.00 24.64 H +ATOM 1432 HE1 MET A 96 1.172 2.784 1.017 1.00 27.86 H +ATOM 1433 HE2 MET A 96 1.067 2.592 2.591 1.00 27.86 H +ATOM 1434 HE3 MET A 96 0.676 3.984 1.932 1.00 27.86 H +ATOM 1435 N ASN A 97 -0.328 6.695 4.564 1.00 23.28 N +ATOM 1436 CA ASN A 97 -1.371 7.289 3.732 1.00 22.46 C +ATOM 1437 C ASN A 97 -2.162 8.386 4.429 1.00 26.89 C +ATOM 1438 O ASN A 97 -2.727 9.249 3.737 1.00 27.22 O +ATOM 1439 CB ASN A 97 -2.318 6.209 3.248 1.00 19.35 C +ATOM 1440 CG ASN A 97 -1.729 5.421 2.095 1.00 26.53 C +ATOM 1441 ND2 ASN A 97 -2.274 4.241 1.825 1.00 24.07 N +ATOM 1442 OD1 ASN A 97 -0.765 5.852 1.489 1.00 25.20 O +ATOM 1443 H ASN A 97 -0.577 6.033 5.054 1.00 27.95 H +ATOM 1444 HA ASN A 97 -0.952 7.694 2.957 1.00 26.97 H +ATOM 1445 HB2 ASN A 97 -2.500 5.593 3.976 1.00 23.24 H +ATOM 1446 HB3 ASN A 97 -3.144 6.619 2.947 1.00 23.24 H +ATOM 1447 HD21 ASN A 97 -1.968 3.765 1.178 1.00 28.90 H +ATOM 1448 HD22 ASN A 97 -2.933 3.954 2.298 1.00 28.90 H +ATOM 1449 N SER A 98 -2.205 8.393 5.770 1.00 24.62 N +ATOM 1450 CA SER A 98 -3.005 9.375 6.485 1.00 22.75 C +ATOM 1451 C SER A 98 -2.221 10.264 7.417 1.00 29.10 C +ATOM 1452 O SER A 98 -2.722 11.354 7.766 1.00 23.16 O +ATOM 1453 CB SER A 98 -4.111 8.688 7.307 1.00 24.89 C +ATOM 1454 OG SER A 98 -5.063 8.065 6.489 1.00 23.74 O +ATOM 1455 H SER A 98 -1.780 7.841 6.275 1.00 29.56 H +ATOM 1456 HA SER A 98 -3.429 9.943 5.824 1.00 27.31 H +ATOM 1457 HB2 SER A 98 -3.703 8.016 7.876 1.00 29.88 H +ATOM 1458 HB3 SER A 98 -4.557 9.357 7.849 1.00 29.88 H +ATOM 1459 HG SER A 98 -4.691 7.753 5.802 1.00 28.50 H +ATOM 1460 N TYR A 99 -1.031 9.845 7.860 1.00 22.13 N +ATOM 1461 CA TYR A 99 -0.321 10.584 8.916 1.00 22.62 C +ATOM 1462 C TYR A 99 1.127 10.801 8.502 1.00 24.49 C +ATOM 1463 O TYR A 99 2.074 10.451 9.210 1.00 23.42 O +ATOM 1464 CB TYR A 99 -0.416 9.898 10.303 1.00 22.58 C +ATOM 1465 CG TYR A 99 -1.847 9.633 10.752 1.00 22.59 C +ATOM 1466 CD1 TYR A 99 -2.735 10.671 11.014 1.00 26.46 C +ATOM 1467 CD2 TYR A 99 -2.312 8.356 10.866 1.00 20.72 C +ATOM 1468 CE1 TYR A 99 -4.053 10.436 11.349 1.00 25.41 C +ATOM 1469 CE2 TYR A 99 -3.643 8.089 11.232 1.00 24.31 C +ATOM 1470 CZ TYR A 99 -4.496 9.128 11.502 1.00 25.10 C +ATOM 1471 OH TYR A 99 -5.799 8.878 11.870 1.00 26.86 O +ATOM 1472 H TYR A 99 -0.621 9.147 7.569 1.00 26.57 H +ATOM 1473 HA TYR A 99 -0.749 11.451 8.999 1.00 27.16 H +ATOM 1474 HB2 TYR A 99 0.046 9.047 10.262 1.00 27.11 H +ATOM 1475 HB3 TYR A 99 0.002 10.471 10.964 1.00 27.11 H +ATOM 1476 HD1 TYR A 99 -2.431 11.547 10.963 1.00 31.77 H +ATOM 1477 HD2 TYR A 99 -1.736 7.645 10.697 1.00 24.87 H +ATOM 1478 HE1 TYR A 99 -4.639 11.147 11.470 1.00 30.51 H +ATOM 1479 HE2 TYR A 99 -3.944 7.210 11.290 1.00 29.19 H +ATOM 1480 HH TYR A 99 -6.055 8.148 11.540 1.00 32.25 H +ATOM 1481 N GLU A 100 1.290 11.502 7.372 1.00 22.31 N +ATOM 1482 CA GLU A 100 2.618 11.597 6.791 1.00 23.79 C +ATOM 1483 C GLU A 100 3.587 12.349 7.681 1.00 23.79 C +ATOM 1484 O GLU A 100 4.781 12.019 7.700 1.00 21.70 O +ATOM 1485 CB GLU A 100 2.566 12.239 5.399 1.00 23.61 C +ATOM 1486 CG GLU A 100 1.844 13.583 5.408 1.00 37.50 C +ATOM 1487 CD GLU A 100 1.850 14.277 4.040 1.00 49.52 C +ATOM 1488 OE1 GLU A 100 2.205 13.594 3.018 1.00 43.70 O +ATOM 1489 OE2 GLU A 100 1.460 15.487 3.997 1.00 34.43 O1- +ATOM 1490 H GLU A 100 0.668 11.914 6.944 1.00 26.79 H +ATOM 1491 HA GLU A 100 2.955 10.693 6.684 1.00 28.56 H +ATOM 1492 HB2 GLU A 100 3.471 12.384 5.083 1.00 28.34 H +ATOM 1493 HB3 GLU A 100 2.093 11.645 4.794 1.00 28.34 H +ATOM 1494 HG2 GLU A 100 0.919 13.442 5.668 1.00 45.01 H +ATOM 1495 HG3 GLU A 100 2.281 14.171 6.044 1.00 45.01 H +ATOM 1496 N ASP A 101 3.101 13.332 8.449 1.00 20.59 N +ATOM 1497 CA ASP A 101 4.004 14.147 9.247 1.00 24.43 C +ATOM 1498 C ASP A 101 4.567 13.350 10.413 1.00 20.99 C +ATOM 1499 O ASP A 101 5.758 13.446 10.720 1.00 22.18 O +ATOM 1500 CB ASP A 101 3.265 15.391 9.739 1.00 25.96 C +ATOM 1501 CG ASP A 101 3.064 16.408 8.595 1.00 31.45 C +ATOM 1502 OD1 ASP A 101 4.060 16.831 8.007 1.00 39.64 O +ATOM 1503 OD2 ASP A 101 1.916 16.742 8.259 1.00 34.61 O1- +ATOM 1504 H ASP A 101 2.270 13.539 8.520 1.00 24.72 H +ATOM 1505 HA ASP A 101 4.751 14.438 8.701 1.00 29.32 H +ATOM 1506 HB2 ASP A 101 2.393 15.136 10.078 1.00 31.17 H +ATOM 1507 HB3 ASP A 101 3.782 15.817 10.440 1.00 31.17 H +ATOM 1508 N VAL A 102 3.740 12.518 11.047 1.00 23.54 N +ATOM 1509 CA VAL A 102 4.297 11.693 12.103 1.00 23.16 C +ATOM 1510 C VAL A 102 5.195 10.611 11.515 1.00 20.90 C +ATOM 1511 O VAL A 102 6.203 10.247 12.122 1.00 20.20 O +ATOM 1512 CB VAL A 102 3.174 11.125 12.996 1.00 23.82 C +ATOM 1513 CG1 VAL A 102 2.529 9.975 12.449 1.00 22.82 C +ATOM 1514 CG2 VAL A 102 3.750 10.775 14.396 1.00 27.70 C +ATOM 1515 H VAL A 102 2.901 12.421 10.890 1.00 28.26 H +ATOM 1516 HA VAL A 102 4.855 12.244 12.675 1.00 27.80 H +ATOM 1517 HB VAL A 102 2.495 11.815 13.063 1.00 28.59 H +ATOM 1518 HG11 VAL A 102 1.568 10.089 12.518 1.00 27.40 H +ATOM 1519 HG12 VAL A 102 2.785 9.882 11.518 1.00 27.40 H +ATOM 1520 HG13 VAL A 102 2.805 9.190 12.947 1.00 27.40 H +ATOM 1521 HG21 VAL A 102 3.075 10.957 15.070 1.00 33.26 H +ATOM 1522 HG22 VAL A 102 3.988 9.834 14.413 1.00 33.26 H +ATOM 1523 HG23 VAL A 102 4.535 11.318 14.560 1.00 33.26 H +ATOM 1524 N LEU A 103 4.889 10.121 10.316 1.00 21.35 N +ATOM 1525 CA LEU A 103 5.796 9.178 9.664 1.00 21.66 C +ATOM 1526 C LEU A 103 7.144 9.823 9.404 1.00 21.17 C +ATOM 1527 O LEU A 103 8.195 9.213 9.666 1.00 20.54 O +ATOM 1528 CB LEU A 103 5.187 8.646 8.372 1.00 18.97 C +ATOM 1529 CG LEU A 103 6.057 7.612 7.648 1.00 22.09 C +ATOM 1530 CD1 LEU A 103 6.335 6.380 8.501 1.00 19.61 C +ATOM 1531 CD2 LEU A 103 5.359 7.210 6.330 1.00 24.67 C +ATOM 1532 H LEU A 103 4.179 10.314 9.869 1.00 25.63 H +ATOM 1533 HA LEU A 103 5.929 8.418 10.252 1.00 26.01 H +ATOM 1534 HB2 LEU A 103 4.339 8.225 8.581 1.00 22.78 H +ATOM 1535 HB3 LEU A 103 5.048 9.391 7.767 1.00 22.78 H +ATOM 1536 HG LEU A 103 6.921 8.008 7.459 1.00 26.52 H +ATOM 1537 HD11 LEU A 103 6.870 5.755 7.988 1.00 23.55 H +ATOM 1538 HD12 LEU A 103 6.818 6.651 9.299 1.00 23.55 H +ATOM 1539 HD13 LEU A 103 5.492 5.970 8.749 1.00 23.55 H +ATOM 1540 HD21 LEU A 103 5.920 6.576 5.857 1.00 29.62 H +ATOM 1541 HD22 LEU A 103 4.503 6.803 6.537 1.00 29.62 H +ATOM 1542 HD23 LEU A 103 5.226 8.003 5.788 1.00 29.62 H +ATOM 1543 N LYS A 104 7.145 11.066 8.894 1.00 20.45 N +ATOM 1544 CA LYS A 104 8.437 11.702 8.638 1.00 22.82 C +ATOM 1545 C LYS A 104 9.222 11.880 9.934 1.00 19.21 C +ATOM 1546 O LYS A 104 10.439 11.663 9.970 1.00 21.93 O +ATOM 1547 CB LYS A 104 8.276 13.049 7.926 1.00 30.17 C +ATOM 1548 CG LYS A 104 9.635 13.644 7.590 1.00 36.01 C +ATOM 1549 CD LYS A 104 9.605 14.693 6.473 1.00 40.98 C +ATOM 1550 CE LYS A 104 11.002 15.148 6.101 1.00 40.30 C +ATOM 1551 NZ LYS A 104 10.922 16.319 5.106 1.00 41.17 N1+ +ATOM 1552 H LYS A 104 6.449 11.532 8.702 1.00 24.55 H +ATOM 1553 HA LYS A 104 8.938 11.125 8.040 1.00 27.40 H +ATOM 1554 HB2 LYS A 104 7.783 12.922 7.101 1.00 36.22 H +ATOM 1555 HB3 LYS A 104 7.803 13.667 8.504 1.00 36.22 H +ATOM 1556 HG2 LYS A 104 9.990 14.073 8.384 1.00 43.22 H +ATOM 1557 HG3 LYS A 104 10.225 12.929 7.305 1.00 43.22 H +ATOM 1558 HD2 LYS A 104 9.188 14.311 5.684 1.00 49.19 H +ATOM 1559 HD3 LYS A 104 9.102 15.467 6.771 1.00 49.19 H +ATOM 1560 HE2 LYS A 104 11.472 15.446 6.894 1.00 48.38 H +ATOM 1561 HE3 LYS A 104 11.484 14.417 5.683 1.00 48.38 H +ATOM 1562 HZ1 LYS A 104 10.217 16.829 5.294 1.00 49.42 H +ATOM 1563 HZ2 LYS A 104 11.660 16.814 5.158 1.00 49.42 H +ATOM 1564 HZ3 LYS A 104 10.840 16.008 4.276 1.00 49.42 H +ATOM 1565 N GLU A 105 8.525 12.195 11.020 1.00 24.93 N +ATOM 1566 CA GLU A 105 9.207 12.325 12.301 1.00 28.17 C +ATOM 1567 C GLU A 105 9.734 10.978 12.792 1.00 22.32 C +ATOM 1568 O GLU A 105 10.850 10.912 13.320 1.00 23.96 O +ATOM 1569 CB GLU A 105 8.308 12.929 13.383 1.00 28.11 C +ATOM 1570 CG GLU A 105 8.147 14.425 13.329 1.00 43.37 C +ATOM 1571 CD GLU A 105 9.465 15.179 13.556 1.00 32.82 C +ATOM 1572 OE1 GLU A 105 10.147 14.950 14.575 1.00 36.90 O +ATOM 1573 OE2 GLU A 105 9.796 15.998 12.674 1.00 54.95 O1- +ATOM 1574 H GLU A 105 7.676 12.335 11.043 1.00 29.93 H +ATOM 1575 HA GLU A 105 9.946 12.937 12.158 1.00 33.82 H +ATOM 1576 HB2 GLU A 105 7.424 12.540 13.296 1.00 33.75 H +ATOM 1577 HB3 GLU A 105 8.684 12.709 14.249 1.00 33.75 H +ATOM 1578 HG2 GLU A 105 7.807 14.674 12.456 1.00 52.06 H +ATOM 1579 HG3 GLU A 105 7.523 14.700 14.019 1.00 52.06 H +ATOM 1580 N LYS A 106 8.949 9.896 12.629 1.00 22.14 N +ATOM 1581 CA LYS A 106 9.448 8.565 12.973 1.00 22.67 C +ATOM 1582 C LYS A 106 10.693 8.250 12.159 1.00 19.93 C +ATOM 1583 O LYS A 106 11.704 7.766 12.681 1.00 18.80 O +ATOM 1584 CB LYS A 106 8.369 7.507 12.714 1.00 21.05 C +ATOM 1585 CG LYS A 106 8.813 6.083 13.047 1.00 18.59 C +ATOM 1586 CD LYS A 106 7.576 5.097 12.841 1.00 19.94 C +ATOM 1587 CE LYS A 106 6.641 5.245 14.067 1.00 21.03 C +ATOM 1588 NZ LYS A 106 7.282 4.506 15.209 1.00 21.93 N1+ +ATOM 1589 H LYS A 106 8.144 9.911 12.329 1.00 26.58 H +ATOM 1590 HA LYS A 106 9.667 8.539 13.918 1.00 27.22 H +ATOM 1591 HB2 LYS A 106 7.594 7.712 13.260 1.00 25.28 H +ATOM 1592 HB3 LYS A 106 8.128 7.530 11.774 1.00 25.28 H +ATOM 1593 HG2 LYS A 106 9.533 5.813 12.456 1.00 22.33 H +ATOM 1594 HG3 LYS A 106 9.105 6.034 13.970 1.00 22.33 H +ATOM 1595 HD2 LYS A 106 7.088 5.335 12.038 1.00 23.94 H +ATOM 1596 HD3 LYS A 106 7.884 4.180 12.783 1.00 23.94 H +ATOM 1597 HE2 LYS A 106 6.541 6.180 14.304 1.00 25.25 H +ATOM 1598 HE3 LYS A 106 5.773 4.855 13.878 1.00 25.25 H +ATOM 1599 HZ1 LYS A 106 7.029 3.652 15.200 1.00 26.33 H +ATOM 1600 HZ2 LYS A 106 8.168 4.544 15.138 1.00 26.33 H +ATOM 1601 HZ3 LYS A 106 7.038 4.871 15.983 1.00 26.33 H +ATOM 1602 N VAL A 107 10.677 8.627 10.880 1.00 19.62 N +ATOM 1603 CA VAL A 107 11.848 8.415 10.032 1.00 21.52 C +ATOM 1604 C VAL A 107 13.053 9.198 10.556 1.00 21.75 C +ATOM 1605 O VAL A 107 14.195 8.716 10.507 1.00 23.08 O +ATOM 1606 CB VAL A 107 11.502 8.791 8.579 1.00 18.17 C +ATOM 1607 CG1 VAL A 107 12.800 8.948 7.758 1.00 22.30 C +ATOM 1608 CG2 VAL A 107 10.581 7.703 7.982 1.00 21.40 C +ATOM 1609 H VAL A 107 10.010 9.002 10.486 1.00 23.56 H +ATOM 1610 HA VAL A 107 12.089 7.477 10.058 1.00 25.84 H +ATOM 1611 HB VAL A 107 11.031 9.639 8.548 1.00 21.82 H +ATOM 1612 HG11 VAL A 107 12.570 9.201 6.850 1.00 26.77 H +ATOM 1613 HG12 VAL A 107 13.349 9.635 8.164 1.00 26.77 H +ATOM 1614 HG13 VAL A 107 13.275 8.103 7.755 1.00 26.77 H +ATOM 1615 HG21 VAL A 107 10.319 7.969 7.087 1.00 25.69 H +ATOM 1616 HG22 VAL A 107 11.065 6.864 7.949 1.00 25.69 H +ATOM 1617 HG23 VAL A 107 9.796 7.611 8.544 1.00 25.69 H +ATOM 1618 N GLN A 108 12.813 10.397 11.103 1.00 24.33 N +ATOM 1619 CA GLN A 108 13.908 11.209 11.630 1.00 25.79 C +ATOM 1620 C GLN A 108 14.527 10.586 12.866 1.00 26.06 C +ATOM 1621 O GLN A 108 15.750 10.638 13.036 1.00 24.73 O +ATOM 1622 CB GLN A 108 13.434 12.627 11.956 1.00 26.74 C +ATOM 1623 CG GLN A 108 13.104 13.506 10.779 1.00 36.06 C +ATOM 1624 CD GLN A 108 14.241 13.621 9.790 1.00 39.72 C +ATOM 1625 NE2 GLN A 108 13.912 13.651 8.513 1.00 44.73 N +ATOM 1626 OE1 GLN A 108 15.406 13.732 10.178 1.00 41.83 O +ATOM 1627 H GLN A 108 12.034 10.755 11.179 1.00 29.21 H +ATOM 1628 HA GLN A 108 14.585 11.267 10.937 1.00 30.96 H +ATOM 1629 HB2 GLN A 108 12.631 12.559 12.496 1.00 32.10 H +ATOM 1630 HB3 GLN A 108 14.134 13.071 12.458 1.00 32.10 H +ATOM 1631 HG2 GLN A 108 12.338 13.135 10.314 1.00 43.29 H +ATOM 1632 HG3 GLN A 108 12.896 14.397 11.100 1.00 43.29 H +ATOM 1633 HE21 GLN A 108 13.085 13.605 8.281 1.00 53.69 H +ATOM 1634 HE22 GLN A 108 14.524 13.715 7.913 1.00 53.69 H +ATOM 1635 N HIS A 109 13.700 9.991 13.739 1.00 28.15 N +ATOM 1636 CA HIS A 109 14.225 9.145 14.817 1.00 26.99 C +ATOM 1637 C HIS A 109 15.179 8.101 14.249 1.00 30.72 C +ATOM 1638 O HIS A 109 16.270 7.873 14.786 1.00 30.98 O +ATOM 1639 CB HIS A 109 13.107 8.410 15.608 1.00 26.13 C +ATOM 1640 CG HIS A 109 12.333 9.284 16.550 1.00 23.35 C +ATOM 1641 CD2 HIS A 109 11.036 9.670 16.562 1.00 30.41 C +ATOM 1642 ND1 HIS A 109 12.910 9.856 17.663 1.00 31.09 N +ATOM 1643 CE1 HIS A 109 12.013 10.587 18.297 1.00 34.69 C +ATOM 1644 NE2 HIS A 109 10.864 10.487 17.656 1.00 33.47 N +ATOM 1645 H HIS A 109 12.843 10.062 13.729 1.00 33.79 H +ATOM 1646 HA HIS A 109 14.680 9.735 15.439 1.00 32.40 H +ATOM 1647 HB2 HIS A 109 12.477 8.034 14.974 1.00 31.37 H +ATOM 1648 HB3 HIS A 109 13.513 7.703 16.133 1.00 31.37 H +ATOM 1649 HD2 HIS A 109 10.382 9.428 15.946 1.00 36.50 H +ATOM 1650 HE1 HIS A 109 12.165 11.090 19.065 1.00 41.64 H +ATOM 1651 HE2 HIS A 109 10.128 10.870 17.884 1.00 40.18 H +ATOM 1652 N LYS A 110 14.760 7.402 13.191 1.00 22.10 N +ATOM 1653 CA LYS A 110 15.622 6.402 12.586 1.00 24.57 C +ATOM 1654 C LYS A 110 16.910 6.994 12.016 1.00 29.02 C +ATOM 1655 O LYS A 110 17.988 6.387 12.141 1.00 29.93 O +ATOM 1656 CB LYS A 110 14.862 5.653 11.498 1.00 21.27 C +ATOM 1657 CG LYS A 110 13.494 5.123 11.897 1.00 22.17 C +ATOM 1658 CD LYS A 110 13.585 4.206 13.139 1.00 27.97 C +ATOM 1659 CE LYS A 110 12.215 3.741 13.528 1.00 29.78 C +ATOM 1660 NZ LYS A 110 12.282 2.746 14.612 1.00 26.07 N1+ +ATOM 1661 H LYS A 110 13.992 7.491 12.814 1.00 26.54 H +ATOM 1662 HA LYS A 110 15.880 5.777 13.282 1.00 29.50 H +ATOM 1663 HB2 LYS A 110 14.731 6.254 10.749 1.00 25.53 H +ATOM 1664 HB3 LYS A 110 15.396 4.891 11.223 1.00 25.53 H +ATOM 1665 HG2 LYS A 110 12.910 5.868 12.110 1.00 26.62 H +ATOM 1666 HG3 LYS A 110 13.122 4.608 11.164 1.00 26.62 H +ATOM 1667 HD2 LYS A 110 14.131 3.431 12.934 1.00 33.58 H +ATOM 1668 HD3 LYS A 110 13.971 4.697 13.881 1.00 33.58 H +ATOM 1669 HE2 LYS A 110 11.693 4.499 13.838 1.00 35.76 H +ATOM 1670 HE3 LYS A 110 11.783 3.332 12.762 1.00 35.76 H +ATOM 1671 HZ1 LYS A 110 11.515 2.299 14.662 1.00 31.29 H +ATOM 1672 HZ2 LYS A 110 12.943 2.171 14.457 1.00 31.29 H +ATOM 1673 HZ3 LYS A 110 12.430 3.153 15.390 1.00 31.29 H +ATOM 1674 N VAL A 111 16.818 8.141 11.337 1.00 24.59 N +ATOM 1675 CA VAL A 111 18.035 8.721 10.767 1.00 27.21 C +ATOM 1676 C VAL A 111 18.991 9.114 11.891 1.00 26.47 C +ATOM 1677 O VAL A 111 20.208 8.927 11.777 1.00 29.26 O +ATOM 1678 CB VAL A 111 17.700 9.914 9.867 1.00 27.18 C +ATOM 1679 CG1 VAL A 111 18.975 10.725 9.541 1.00 32.39 C +ATOM 1680 CG2 VAL A 111 16.965 9.459 8.593 1.00 28.93 C +ATOM 1681 H VAL A 111 16.094 8.585 11.198 1.00 29.52 H +ATOM 1682 HA VAL A 111 18.468 8.056 10.208 1.00 32.67 H +ATOM 1683 HB VAL A 111 17.094 10.505 10.343 1.00 32.63 H +ATOM 1684 HG11 VAL A 111 18.733 11.487 8.992 1.00 38.88 H +ATOM 1685 HG12 VAL A 111 19.378 11.027 10.370 1.00 38.88 H +ATOM 1686 HG13 VAL A 111 19.596 10.154 9.061 1.00 38.88 H +ATOM 1687 HG21 VAL A 111 16.409 10.187 8.273 1.00 34.74 H +ATOM 1688 HG22 VAL A 111 17.621 9.223 7.919 1.00 34.74 H +ATOM 1689 HG23 VAL A 111 16.415 8.689 8.804 1.00 34.74 H +ATOM 1690 N ALA A 112 18.451 9.561 13.025 1.00 31.81 N +ATOM 1691 CA ALA A 112 19.262 9.910 14.186 1.00 37.58 C +ATOM 1692 C ALA A 112 20.016 8.703 14.758 1.00 38.89 C +ATOM 1693 O ALA A 112 21.099 8.875 15.324 1.00 40.70 O +ATOM 1694 CB ALA A 112 18.355 10.559 15.239 1.00 40.57 C +ATOM 1695 H ALA A 112 17.608 9.673 13.149 1.00 38.19 H +ATOM 1696 HA ALA A 112 19.943 10.552 13.928 1.00 45.11 H +ATOM 1697 HB1 ALA A 112 18.835 10.613 16.080 1.00 48.70 H +ATOM 1698 HB2 ALA A 112 18.111 11.449 14.940 1.00 48.70 H +ATOM 1699 HB3 ALA A 112 17.558 10.016 15.346 1.00 48.70 H +ATOM 1700 N ALA A 113 19.474 7.485 14.641 1.00 33.48 N +ATOM 1701 CA ALA A 113 20.167 6.268 15.074 1.00 34.17 C +ATOM 1702 C ALA A 113 21.054 5.672 13.986 1.00 39.38 C +ATOM 1703 O ALA A 113 21.617 4.584 14.172 1.00 43.22 O +ATOM 1704 CB ALA A 113 19.156 5.202 15.520 1.00 40.50 C +ATOM 1705 H ALA A 113 18.694 7.337 14.309 1.00 40.19 H +ATOM 1706 HA ALA A 113 20.724 6.495 15.835 1.00 41.01 H +ATOM 1707 HB1 ALA A 113 19.531 4.701 16.260 1.00 48.61 H +ATOM 1708 HB2 ALA A 113 18.338 5.641 15.800 1.00 48.61 H +ATOM 1709 HB3 ALA A 113 18.974 4.608 14.775 1.00 48.61 H +ATOM 1710 N GLY A 114 21.164 6.329 12.843 1.00 32.88 N +ATOM 1711 CA GLY A 114 21.988 5.823 11.761 1.00 30.65 C +ATOM 1712 C GLY A 114 21.370 4.694 10.976 1.00 36.06 C +ATOM 1713 O GLY A 114 22.073 4.039 10.211 1.00 41.32 O +ATOM 1714 H GLY A 114 20.770 7.073 12.669 1.00 39.48 H +ATOM 1715 HA2 GLY A 114 22.170 6.547 11.142 1.00 36.79 H +ATOM 1716 HA3 GLY A 114 22.825 5.504 12.130 1.00 36.79 H +ATOM 1717 N LEU A 115 20.073 4.457 11.116 1.00 36.53 N +ATOM 1718 CA LEU A 115 19.499 3.257 10.542 1.00 33.55 C +ATOM 1719 C LEU A 115 19.336 3.345 9.034 1.00 40.03 C +ATOM 1720 O LEU A 115 18.973 2.348 8.399 1.00 35.86 O +ATOM 1721 CB LEU A 115 18.148 2.916 11.166 1.00 36.31 C +ATOM 1722 CG LEU A 115 18.328 2.367 12.593 1.00 36.32 C +ATOM 1723 CD1 LEU A 115 17.020 2.510 13.381 1.00 39.04 C +ATOM 1724 CD2 LEU A 115 18.881 0.923 12.581 1.00 47.81 C +ATOM 1725 H LEU A 115 19.519 4.967 11.530 1.00 43.85 H +ATOM 1726 HA LEU A 115 20.097 2.523 10.751 1.00 40.28 H +ATOM 1727 HB2 LEU A 115 17.601 3.717 11.210 1.00 43.58 H +ATOM 1728 HB3 LEU A 115 17.704 2.241 10.630 1.00 43.58 H +ATOM 1729 HG LEU A 115 18.996 2.890 13.063 1.00 43.60 H +ATOM 1730 HD11 LEU A 115 17.112 2.058 14.233 1.00 46.86 H +ATOM 1731 HD12 LEU A 115 16.840 3.453 13.525 1.00 46.86 H +ATOM 1732 HD13 LEU A 115 16.298 2.110 12.870 1.00 46.86 H +ATOM 1733 HD21 LEU A 115 18.462 0.417 13.294 1.00 57.38 H +ATOM 1734 HD22 LEU A 115 18.680 0.515 11.724 1.00 57.38 H +ATOM 1735 HD23 LEU A 115 19.842 0.951 12.716 1.00 57.38 H +ATOM 1736 N ASN A 116 19.577 4.506 8.446 1.00 35.54 N +ATOM 1737 CA ASN A 116 19.584 4.663 7.010 1.00 38.53 C +ATOM 1738 C ASN A 116 20.968 4.554 6.417 1.00 33.64 C +ATOM 1739 O ASN A 116 21.120 4.799 5.220 1.00 37.40 O +ATOM 1740 CB ASN A 116 18.988 6.005 6.625 1.00 29.37 C +ATOM 1741 CG ASN A 116 19.842 7.166 7.078 1.00 33.06 C +ATOM 1742 ND2 ASN A 116 19.853 8.211 6.277 1.00 27.80 N +ATOM 1743 OD1 ASN A 116 20.517 7.110 8.127 1.00 35.86 O +ATOM 1744 H ASN A 116 19.742 5.235 8.873 1.00 42.67 H +ATOM 1745 HA ASN A 116 19.031 3.965 6.625 1.00 46.25 H +ATOM 1746 HB2 ASN A 116 18.906 6.050 5.659 1.00 35.25 H +ATOM 1747 HB3 ASN A 116 18.114 6.094 7.037 1.00 35.25 H +ATOM 1748 HD21 ASN A 116 20.321 8.904 6.481 1.00 33.37 H +ATOM 1749 HD22 ASN A 116 19.392 8.202 5.551 1.00 33.37 H +ATOM 1750 N LYS A 117 21.965 4.257 7.243 1.00 44.33 N +ATOM 1751 CA LYS A 117 23.360 4.167 6.813 1.00 45.99 C +ATOM 1752 C LYS A 117 23.679 2.715 6.481 1.00 52.65 C +ATOM 1753 O LYS A 117 23.388 1.807 7.266 1.00 55.57 O +ATOM 1754 CB LYS A 117 24.288 4.686 7.910 1.00 40.95 C +ATOM 1755 CG LYS A 117 24.405 6.227 7.913 1.00 51.67 C +ATOM 1756 CD LYS A 117 25.158 6.725 9.170 1.00 51.89 C +ATOM 1757 CE LYS A 117 25.665 8.182 8.944 1.00 58.97 C +ATOM 1758 NZ LYS A 117 26.401 8.673 10.150 1.00 69.10 N1+ +ATOM 1759 H LYS A 117 21.860 4.099 8.081 1.00 53.20 H +ATOM 1760 HA LYS A 117 23.516 4.715 6.028 1.00 55.20 H +ATOM 1761 HB2 LYS A 117 23.941 4.409 8.773 1.00 49.15 H +ATOM 1762 HB3 LYS A 117 25.174 4.318 7.775 1.00 49.15 H +ATOM 1763 HG2 LYS A 117 24.894 6.515 7.128 1.00 62.01 H +ATOM 1764 HG3 LYS A 117 23.517 6.618 7.913 1.00 62.01 H +ATOM 1765 HD2 LYS A 117 24.562 6.719 9.934 1.00 62.28 H +ATOM 1766 HD3 LYS A 117 25.923 6.153 9.341 1.00 62.28 H +ATOM 1767 HE2 LYS A 117 26.268 8.202 8.183 1.00 70.78 H +ATOM 1768 HE3 LYS A 117 24.909 8.768 8.782 1.00 70.78 H +ATOM 1769 HZ1 LYS A 117 26.957 9.330 9.922 1.00 82.93 H +ATOM 1770 HZ2 LYS A 117 25.825 8.980 10.755 1.00 82.93 H +ATOM 1771 HZ3 LYS A 117 26.872 8.009 10.511 1.00 82.93 H +TER +ATOM 1772 N ASP E 206 12.240 3.843 -8.007 1.00 63.70 N +ATOM 1773 CA ASP E 206 13.615 3.392 -8.012 1.00 62.87 C +ATOM 1774 C ASP E 206 13.628 1.906 -7.685 1.00 65.18 C +ATOM 1775 O ASP E 206 12.661 1.185 -7.925 1.00 72.81 O +ATOM 1776 CB ASP E 206 14.464 4.170 -7.022 1.00 66.53 C +ATOM 1777 CG ASP E 206 15.957 4.196 -7.420 1.00 74.21 C +ATOM 1778 OD1 ASP E 206 16.269 3.949 -8.623 1.00 78.42 O +ATOM 1779 OD2 ASP E 206 16.806 4.412 -6.520 1.00 70.80 O1- +ATOM 1780 HA ASP E 206 14.017 3.544 -8.882 1.00 75.45 H +ATOM 1781 HB2 ASP E 206 14.147 5.087 -6.984 1.00 79.85 H +ATOM 1782 HB3 ASP E 206 14.392 3.757 -6.148 1.00 79.85 H +ATOM 1783 N ASP E 207 14.738 1.361 -7.161 1.00 66.51 N +ATOM 1784 CA ASP E 207 14.916 -0.101 -6.953 1.00 72.30 C +ATOM 1785 C ASP E 207 14.653 -0.442 -5.481 1.00 58.94 C +ATOM 1786 O ASP E 207 15.656 -0.646 -4.767 1.00 54.46 O +ATOM 1787 CB ASP E 207 16.297 -0.560 -7.485 1.00 72.35 C +ATOM 1788 CG ASP E 207 16.495 -2.072 -7.612 1.00 66.68 C +ATOM 1789 OD1 ASP E 207 15.547 -2.754 -8.057 1.00 74.35 O +ATOM 1790 OD2 ASP E 207 17.610 -2.569 -7.310 1.00 63.24 O1- +ATOM 1791 H ASP E 207 15.438 1.812 -6.819 1.00 79.83 H +ATOM 1792 HA ASP E 207 14.232 -0.592 -7.489 1.00 86.77 H +ATOM 1793 HB2 ASP E 207 16.449 -0.184 -8.386 1.00 86.83 H +ATOM 1794 HB3 ASP E 207 16.995 -0.175 -6.905 1.00 86.83 H +ATOM 1795 N PHE E 208 13.409 -0.372 -4.993 1.00 43.67 N +ATOM 1796 CA PHE E 208 13.069 -0.971 -3.706 1.00 32.52 C +ATOM 1797 C PHE E 208 12.857 -2.472 -3.917 1.00 23.35 C +ATOM 1798 O PHE E 208 11.889 -2.876 -4.571 1.00 27.74 O +ATOM 1799 CB PHE E 208 11.832 -0.424 -2.975 1.00 29.56 C +ATOM 1800 CG PHE E 208 11.636 -1.152 -1.662 1.00 25.85 C +ATOM 1801 CD1 PHE E 208 12.608 -1.022 -0.658 1.00 26.32 C +ATOM 1802 CD2 PHE E 208 10.609 -2.024 -1.466 1.00 23.66 C +ATOM 1803 CE1 PHE E 208 12.546 -1.729 0.501 1.00 26.91 C +ATOM 1804 CE2 PHE E 208 10.490 -2.749 -0.249 1.00 25.94 C +ATOM 1805 CZ PHE E 208 11.456 -2.625 0.719 1.00 21.23 C +ATOM 1806 H PHE E 208 12.736 -0.191 -5.499 1.00 52.41 H +ATOM 1807 HA PHE E 208 13.824 -0.761 -3.134 1.00 39.04 H +ATOM 1808 HB2 PHE E 208 11.953 0.520 -2.792 1.00 35.48 H +ATOM 1809 HB3 PHE E 208 11.044 -0.557 -3.524 1.00 35.48 H +ATOM 1810 HD1 PHE E 208 13.315 -0.434 -0.790 1.00 31.60 H +ATOM 1811 HD2 PHE E 208 9.977 -2.148 -2.136 1.00 28.40 H +ATOM 1812 HE1 PHE E 208 13.208 -1.630 1.146 1.00 32.30 H +ATOM 1813 HE2 PHE E 208 9.758 -3.306 -0.108 1.00 31.15 H +ATOM 1814 HZ PHE E 208 11.400 -3.116 1.506 1.00 25.49 H +ATOM 1815 N VAL E 209 13.719 -3.286 -3.320 1.00 24.80 N +ATOM 1816 CA VAL E 209 13.563 -4.739 -3.309 1.00 22.93 C +ATOM 1817 C VAL E 209 13.690 -5.194 -1.860 1.00 25.08 C +ATOM 1818 O VAL E 209 14.729 -4.984 -1.218 1.00 31.72 O +ATOM 1819 CB VAL E 209 14.597 -5.433 -4.212 1.00 28.80 C +ATOM 1820 CG1 VAL E 209 14.275 -6.910 -4.309 1.00 32.96 C +ATOM 1821 CG2 VAL E 209 14.606 -4.736 -5.588 1.00 40.76 C +ATOM 1822 H VAL E 209 14.421 -3.015 -2.904 1.00 29.78 H +ATOM 1823 HA VAL E 209 12.677 -4.981 -3.622 1.00 27.53 H +ATOM 1824 HB VAL E 209 15.492 -5.363 -3.842 1.00 34.57 H +ATOM 1825 HG11 VAL E 209 14.701 -7.275 -5.100 1.00 39.57 H +ATOM 1826 HG12 VAL E 209 14.609 -7.358 -3.517 1.00 39.57 H +ATOM 1827 HG13 VAL E 209 13.314 -7.020 -4.371 1.00 39.57 H +ATOM 1828 HG21 VAL E 209 15.105 -5.282 -6.216 1.00 48.93 H +ATOM 1829 HG22 VAL E 209 13.692 -4.631 -5.895 1.00 48.93 H +ATOM 1830 HG23 VAL E 209 15.027 -3.867 -5.500 1.00 48.93 H +ATOM 1831 N TYR E 210 12.624 -5.742 -1.331 1.00 24.83 N +ATOM 1832 CA TYR E 210 12.667 -6.350 -0.024 1.00 23.34 C +ATOM 1833 C TYR E 210 13.478 -7.636 -0.110 1.00 32.42 C +ATOM 1834 O TYR E 210 13.213 -8.453 -0.994 1.00 29.74 O +ATOM 1835 CB TYR E 210 11.261 -6.701 0.459 1.00 22.45 C +ATOM 1836 CG TYR E 210 11.339 -7.149 1.904 1.00 25.67 C +ATOM 1837 CD1 TYR E 210 11.326 -6.224 2.959 1.00 24.41 C +ATOM 1838 CD2 TYR E 210 11.460 -8.481 2.225 1.00 24.29 C +ATOM 1839 CE1 TYR E 210 11.440 -6.631 4.269 1.00 22.21 C +ATOM 1840 CE2 TYR E 210 11.555 -8.897 3.515 1.00 23.51 C +ATOM 1841 CZ TYR E 210 11.557 -8.004 4.548 1.00 23.90 C +ATOM 1842 OH TYR E 210 11.636 -8.488 5.847 1.00 22.82 O +ATOM 1843 H TYR E 210 11.853 -5.777 -1.709 1.00 29.81 H +ATOM 1844 HA TYR E 210 13.069 -5.731 0.605 1.00 28.02 H +ATOM 1845 HB2 TYR E 210 10.687 -5.921 0.400 1.00 26.96 H +ATOM 1846 HB3 TYR E 210 10.897 -7.423 -0.077 1.00 26.96 H +ATOM 1847 HD1 TYR E 210 11.240 -5.318 2.770 1.00 29.31 H +ATOM 1848 HD2 TYR E 210 11.477 -9.113 1.543 1.00 29.16 H +ATOM 1849 HE1 TYR E 210 11.439 -6.008 4.959 1.00 26.66 H +ATOM 1850 HE2 TYR E 210 11.622 -9.807 3.698 1.00 28.23 H +ATOM 1851 HH TYR E 210 12.433 -8.675 6.036 1.00 27.40 H +ATOM 1852 N PRO E 211 14.459 -7.856 0.762 1.00 25.64 N +ATOM 1853 CA PRO E 211 15.372 -8.993 0.540 1.00 26.81 C +ATOM 1854 C PRO E 211 14.631 -10.312 0.569 1.00 29.89 C +ATOM 1855 O PRO E 211 13.841 -10.576 1.477 1.00 28.71 O +ATOM 1856 CB PRO E 211 16.384 -8.898 1.678 1.00 26.40 C +ATOM 1857 CG PRO E 211 15.888 -7.761 2.596 1.00 44.46 C +ATOM 1858 CD PRO E 211 14.972 -6.905 1.763 1.00 29.14 C +ATOM 1859 HA PRO E 211 15.830 -8.886 -0.309 1.00 32.19 H +ATOM 1860 HB2 PRO E 211 16.413 -9.740 2.159 1.00 31.70 H +ATOM 1861 HB3 PRO E 211 17.261 -8.692 1.317 1.00 31.70 H +ATOM 1862 HG2 PRO E 211 15.409 -8.138 3.351 1.00 53.37 H +ATOM 1863 HG3 PRO E 211 16.646 -7.243 2.909 1.00 53.37 H +ATOM 1864 HD2 PRO E 211 14.250 -6.544 2.301 1.00 34.99 H +ATOM 1865 HD3 PRO E 211 15.462 -6.184 1.338 1.00 34.99 H +ATOM 1866 N GLY E 212 14.887 -11.128 -0.452 1.00 39.44 N +ATOM 1867 CA GLY E 212 14.236 -12.402 -0.575 1.00 41.08 C +ATOM 1868 C GLY E 212 12.928 -12.380 -1.323 1.00 47.29 C +ATOM 1869 O GLY E 212 12.395 -13.451 -1.620 1.00 37.37 O +ATOM 1870 H GLY E 212 15.441 -10.953 -1.086 1.00 47.34 H +ATOM 1871 HA2 GLY E 212 14.831 -13.011 -1.040 1.00 49.30 H +ATOM 1872 HA3 GLY E 212 14.061 -12.749 0.314 1.00 49.30 H +ATOM 1873 N ALA E 213 12.398 -11.205 -1.653 1.00 38.89 N +ATOM 1874 CA ALA E 213 11.203 -11.149 -2.474 1.00 44.98 C +ATOM 1875 C ALA E 213 11.552 -11.413 -3.937 1.00 51.41 C +ATOM 1876 O ALA E 213 12.688 -11.198 -4.381 1.00 47.90 O +ATOM 1877 CB ALA E 213 10.518 -9.787 -2.345 1.00 40.94 C +ATOM 1878 H ALA E 213 12.710 -10.440 -1.415 1.00 46.68 H +ATOM 1879 HA ALA E 213 10.579 -11.830 -2.176 1.00 53.99 H +ATOM 1880 HB1 ALA E 213 9.711 -9.787 -2.882 1.00 49.15 H +ATOM 1881 HB2 ALA E 213 10.296 -9.633 -1.413 1.00 49.15 H +ATOM 1882 HB3 ALA E 213 11.125 -9.098 -2.658 1.00 49.15 H +ATOM 1883 N ASP E 214 10.548 -11.877 -4.685 1.00 52.73 N +ATOM 1884 CA ASP E 214 10.676 -12.016 -6.140 1.00 56.11 C +ATOM 1885 C ASP E 214 9.394 -12.010 -6.955 1.00 55.33 C +ATOM 1886 O ASP E 214 8.390 -11.415 -6.575 1.00 59.84 O +ATOM 1887 CB ASP E 214 11.401 -13.329 -6.465 1.00 50.27 C +ATOM 1888 CG ASP E 214 11.926 -13.394 -7.906 1.00 59.88 C +ATOM 1889 OD1 ASP E 214 12.116 -12.331 -8.530 1.00 57.82 O +ATOM 1890 OD2 ASP E 214 12.061 -14.524 -8.437 1.00 66.41 O1- +ATOM 1891 H ASP E 214 9.783 -12.119 -4.375 1.00 63.29 H +ATOM 1892 HA ASP E 214 11.166 -11.225 -6.415 1.00 67.34 H +ATOM 1893 HB2 ASP E 214 12.159 -13.425 -5.869 1.00 60.34 H +ATOM 1894 HB3 ASP E 214 10.784 -14.068 -6.341 1.00 60.34 H +TER +END diff --git a/assays/S2_A1_Structural analysis of MLLE3 of Rrm4/dataset/M3PL2-pdb.pdb b/assays/S2_A1_Structural analysis of MLLE3 of Rrm4/dataset/M3PL2-pdb.pdb new file mode 100644 index 0000000000000000000000000000000000000000..41d6f0a6963a4c2cb18191a86966defa7a1a84f6 --- /dev/null +++ b/assays/S2_A1_Structural analysis of MLLE3 of Rrm4/dataset/M3PL2-pdb.pdb @@ -0,0 +1,1864 @@ +CRYST1 72.904 81.725 165.397 90.00 90.00 90.00 C 2 2 21 0 +ATOM 1 N HIS D 3 1.705 14.888 24.823 1.00 62.53 N +ATOM 2 CA HIS D 3 2.335 14.202 23.684 1.00 54.05 C +ATOM 3 C HIS D 3 2.784 15.142 22.537 1.00 44.92 C +ATOM 4 O HIS D 3 1.955 15.847 21.963 1.00 45.26 O +ATOM 5 CB HIS D 3 1.348 13.168 23.092 1.00 63.63 C +ATOM 6 CG HIS D 3 1.738 11.726 23.279 1.00 60.04 C +ATOM 7 CD2 HIS D 3 1.012 10.589 23.140 1.00 51.02 C +ATOM 8 ND1 HIS D 3 3.010 11.322 23.631 1.00 57.68 N +ATOM 9 CE1 HIS D 3 3.048 10.003 23.712 1.00 44.77 C +ATOM 10 NE2 HIS D 3 1.848 9.534 23.422 1.00 48.15 N +ATOM 11 HA HIS D 3 3.134 13.774 24.027 1.00 64.90 H +ATOM 12 HB2 HIS D 3 0.484 13.291 23.514 1.00 76.40 H +ATOM 13 HB3 HIS D 3 1.276 13.325 22.137 1.00 76.40 H +ATOM 14 HD2 HIS D 3 0.115 10.533 22.899 1.00 61.25 H +ATOM 15 HE1 HIS D 3 3.793 9.492 23.934 1.00 53.76 H +ATOM 16 HE2 HIS D 3 1.626 8.704 23.412 1.00 57.82 H +ATOM 17 N THR D 4 4.078 15.141 22.182 1.00 51.21 N +ATOM 18 CA THR D 4 4.522 15.847 20.985 1.00 48.85 C +ATOM 19 C THR D 4 4.453 14.930 19.764 1.00 53.20 C +ATOM 20 O THR D 4 4.262 13.713 19.864 1.00 55.14 O +ATOM 21 CB THR D 4 5.977 16.335 21.054 1.00 47.16 C +ATOM 22 CG2 THR D 4 6.125 17.487 22.046 1.00 54.10 C +ATOM 23 OG1 THR D 4 6.854 15.261 21.433 1.00 51.78 O +ATOM 24 H THR D 4 4.704 14.741 22.615 1.00 61.49 H +ATOM 25 HA THR D 4 3.932 16.615 20.910 1.00 58.66 H +ATOM 26 HB THR D 4 6.235 16.655 20.175 1.00 56.63 H +ATOM 27 HG1 THR D 4 7.623 15.560 21.590 1.00 62.17 H +ATOM 28 HG21 THR D 4 7.017 17.862 21.986 1.00 64.96 H +ATOM 29 HG22 THR D 4 5.477 18.181 21.846 1.00 64.96 H +ATOM 30 HG23 THR D 4 5.977 17.168 22.949 1.00 64.96 H +ATOM 31 N LEU D 5 4.652 15.527 18.590 1.00 62.65 N +ATOM 32 CA LEU D 5 4.856 14.715 17.394 1.00 60.14 C +ATOM 33 C LEU D 5 6.046 13.777 17.569 1.00 57.90 C +ATOM 34 O LEU D 5 6.026 12.640 17.081 1.00 60.74 O +ATOM 35 CB LEU D 5 5.092 15.591 16.167 1.00 50.42 C +ATOM 36 CG LEU D 5 4.534 14.957 14.898 1.00 55.89 C +ATOM 37 CD1 LEU D 5 3.101 14.433 15.095 1.00 65.46 C +ATOM 38 CD2 LEU D 5 4.585 15.932 13.751 1.00 46.85 C +ATOM 39 H LEU D 5 4.673 16.378 18.463 1.00 75.21 H +ATOM 40 HA LEU D 5 4.050 14.196 17.248 1.00 72.21 H +ATOM 41 HB2 LEU D 5 4.653 16.446 16.298 1.00 60.54 H +ATOM 42 HB3 LEU D 5 6.046 15.722 16.048 1.00 60.54 H +ATOM 43 HG LEU D 5 5.089 14.192 14.680 1.00 67.11 H +ATOM 44 HD11 LEU D 5 2.719 14.226 14.227 1.00 78.59 H +ATOM 45 HD12 LEU D 5 3.129 13.633 15.644 1.00 78.59 H +ATOM 46 HD13 LEU D 5 2.573 15.117 15.535 1.00 78.59 H +ATOM 47 HD21 LEU D 5 4.201 15.516 12.965 1.00 56.26 H +ATOM 48 HD22 LEU D 5 4.077 16.724 13.988 1.00 56.26 H +ATOM 49 HD23 LEU D 5 5.509 16.172 13.581 1.00 56.26 H +ATOM 50 N SER D 6 7.122 14.260 18.204 1.00 52.10 N +ATOM 51 CA SER D 6 8.300 13.420 18.389 1.00 45.86 C +ATOM 52 C SER D 6 8.031 12.291 19.379 1.00 52.04 C +ATOM 53 O SER D 6 8.363 11.135 19.094 1.00 58.47 O +ATOM 54 CB SER D 6 9.506 14.237 18.838 1.00 48.78 C +ATOM 55 OG SER D 6 10.384 14.491 17.752 1.00 60.57 O +ATOM 56 H SER D 6 7.190 15.053 18.529 1.00 62.55 H +ATOM 57 HA SER D 6 8.516 13.031 17.527 1.00 55.07 H +ATOM 58 HB2 SER D 6 9.197 15.083 19.198 1.00 58.57 H +ATOM 59 HB3 SER D 6 9.985 13.742 19.522 1.00 58.57 H +ATOM 60 HG SER D 6 11.067 14.898 18.023 1.00 72.72 H +ATOM 61 N THR D 7 7.418 12.581 20.544 1.00 35.37 N +ATOM 62 CA THR D 7 7.177 11.466 21.458 1.00 40.20 C +ATOM 63 C THR D 7 6.148 10.505 20.859 1.00 43.52 C +ATOM 64 O THR D 7 6.272 9.284 21.006 1.00 51.83 O +ATOM 65 CB THR D 7 6.698 11.916 22.850 1.00 56.59 C +ATOM 66 CG2 THR D 7 7.688 12.865 23.521 1.00 39.23 C +ATOM 67 OG1 THR D 7 5.403 12.522 22.751 1.00 55.13 O +ATOM 68 H THR D 7 7.155 13.357 20.803 1.00 42.48 H +ATOM 69 HA THR D 7 8.028 11.022 21.590 1.00 48.28 H +ATOM 70 HB THR D 7 6.636 11.135 23.423 1.00 67.94 H +ATOM 71 HG1 THR D 7 4.914 12.073 22.238 1.00 66.19 H +ATOM 72 HG21 THR D 7 7.323 13.187 24.360 1.00 47.12 H +ATOM 73 HG22 THR D 7 8.523 12.404 23.698 1.00 47.12 H +ATOM 74 HG23 THR D 7 7.864 13.623 22.943 1.00 47.12 H +ATOM 75 N LEU D 8 5.121 11.032 20.182 1.00 45.96 N +ATOM 76 CA LEU D 8 4.181 10.177 19.463 1.00 38.79 C +ATOM 77 C LEU D 8 4.900 9.308 18.430 1.00 49.12 C +ATOM 78 O LEU D 8 4.784 8.069 18.439 1.00 38.92 O +ATOM 79 CB LEU D 8 3.148 11.058 18.787 1.00 34.82 C +ATOM 80 CG LEU D 8 1.842 10.389 18.435 1.00 40.95 C +ATOM 81 CD1 LEU D 8 1.262 9.751 19.639 1.00 38.07 C +ATOM 82 CD2 LEU D 8 0.882 11.413 17.869 1.00 48.13 C +ATOM 83 H LEU D 8 4.952 11.873 20.127 1.00 55.19 H +ATOM 84 HA LEU D 8 3.736 9.583 20.087 1.00 46.59 H +ATOM 85 HB2 LEU D 8 2.942 11.795 19.384 1.00 41.81 H +ATOM 86 HB3 LEU D 8 3.531 11.395 17.962 1.00 41.81 H +ATOM 87 HG LEU D 8 1.992 9.704 17.766 1.00 49.17 H +ATOM 88 HD11 LEU D 8 0.294 9.764 19.569 1.00 45.72 H +ATOM 89 HD12 LEU D 8 1.576 8.834 19.693 1.00 45.72 H +ATOM 90 HD13 LEU D 8 1.543 10.244 20.425 1.00 45.72 H +ATOM 91 HD21 LEU D 8 0.030 10.984 17.694 1.00 57.80 H +ATOM 92 HD22 LEU D 8 0.767 12.128 18.514 1.00 57.80 H +ATOM 93 HD23 LEU D 8 1.249 11.768 17.044 1.00 57.80 H +ATOM 94 N ALA D 9 5.715 9.939 17.574 1.00 43.74 N +ATOM 95 CA ALA D 9 6.432 9.203 16.543 1.00 42.63 C +ATOM 96 C ALA D 9 7.261 8.064 17.131 1.00 43.82 C +ATOM 97 O ALA D 9 7.526 7.078 16.432 1.00 34.26 O +ATOM 98 CB ALA D 9 7.348 10.165 15.788 1.00 36.53 C +ATOM 99 H ALA D 9 5.865 10.786 17.574 1.00 52.53 H +ATOM 100 HA ALA D 9 5.795 8.821 15.918 1.00 51.19 H +ATOM 101 HB1 ALA D 9 7.813 9.677 15.091 1.00 43.88 H +ATOM 102 HB2 ALA D 9 6.810 10.871 15.395 1.00 43.88 H +ATOM 103 HB3 ALA D 9 7.988 10.545 16.411 1.00 43.88 H +ATOM 104 N ALA D 10 7.654 8.170 18.405 1.00 37.43 N +ATOM 105 CA ALA D 10 8.423 7.130 19.079 1.00 36.77 C +ATOM 106 C ALA D 10 7.587 5.898 19.379 1.00 38.44 C +ATOM 107 O ALA D 10 8.137 4.869 19.785 1.00 27.37 O +ATOM 108 CB ALA D 10 9.020 7.670 20.380 1.00 34.32 C +ATOM 109 H ALA D 10 7.483 8.847 18.906 1.00 44.95 H +ATOM 110 HA ALA D 10 9.159 6.868 18.504 1.00 44.16 H +ATOM 111 HB1 ALA D 10 9.524 6.963 20.813 1.00 41.22 H +ATOM 112 HB2 ALA D 10 9.605 8.415 20.174 1.00 41.22 H +ATOM 113 HB3 ALA D 10 8.300 7.965 20.959 1.00 41.22 H +ATOM 114 N LEU D 11 6.279 6.003 19.277 1.00 33.54 N +ATOM 115 CA LEU D 11 5.430 4.868 19.559 1.00 33.43 C +ATOM 116 C LEU D 11 5.376 3.903 18.391 1.00 32.16 C +ATOM 117 O LEU D 11 5.656 4.276 17.247 1.00 35.19 O +ATOM 118 CB LEU D 11 4.018 5.346 19.867 1.00 38.60 C +ATOM 119 CG LEU D 11 3.750 5.902 21.258 1.00 34.68 C +ATOM 120 CD1 LEU D 11 2.280 6.213 21.268 1.00 34.83 C +ATOM 121 CD2 LEU D 11 4.157 4.882 22.289 1.00 40.77 C +ATOM 122 H LEU D 11 5.861 6.718 19.047 1.00 40.28 H +ATOM 123 HA LEU D 11 5.789 4.395 20.327 1.00 40.15 H +ATOM 124 HB2 LEU D 11 3.800 6.051 19.237 1.00 46.36 H +ATOM 125 HB3 LEU D 11 3.417 4.595 19.745 1.00 46.36 H +ATOM 126 HG LEU D 11 4.255 6.699 21.481 1.00 41.65 H +ATOM 127 HD11 LEU D 11 2.046 6.609 22.121 1.00 41.83 H +ATOM 128 HD12 LEU D 11 2.086 6.835 20.549 1.00 41.83 H +ATOM 129 HD13 LEU D 11 1.783 5.391 21.136 1.00 41.83 H +ATOM 130 HD21 LEU D 11 3.845 5.172 23.161 1.00 48.96 H +ATOM 131 HD22 LEU D 11 3.759 4.027 22.063 1.00 48.96 H +ATOM 132 HD23 LEU D 11 5.124 4.805 22.294 1.00 48.96 H +ATOM 133 N PRO D 12 5.009 2.650 18.649 1.00 36.27 N +ATOM 134 CA PRO D 12 4.717 1.734 17.534 1.00 27.29 C +ATOM 135 C PRO D 12 3.558 2.255 16.697 1.00 32.41 C +ATOM 136 O PRO D 12 2.586 2.802 17.228 1.00 30.49 O +ATOM 137 CB PRO D 12 4.392 0.413 18.242 1.00 25.25 C +ATOM 138 CG PRO D 12 5.096 0.507 19.567 1.00 20.78 C +ATOM 139 CD PRO D 12 4.937 1.970 19.952 1.00 26.39 C +ATOM 140 HA PRO D 12 5.491 1.604 16.963 1.00 32.79 H +ATOM 141 HB2 PRO D 12 3.433 0.328 18.362 1.00 30.34 H +ATOM 142 HB3 PRO D 12 4.728 -0.334 17.722 1.00 30.34 H +ATOM 143 HG2 PRO D 12 4.672 -0.076 20.215 1.00 24.97 H +ATOM 144 HG3 PRO D 12 6.032 0.270 19.468 1.00 24.97 H +ATOM 145 HD2 PRO D 12 4.080 2.126 20.380 1.00 31.70 H +ATOM 146 HD3 PRO D 12 5.656 2.256 20.536 1.00 31.70 H +ATOM 147 N ALA D 13 3.649 2.057 15.370 1.00 35.27 N +ATOM 148 CA ALA D 13 2.588 2.551 14.491 1.00 30.69 C +ATOM 149 C ALA D 13 1.212 2.085 14.950 1.00 36.58 C +ATOM 150 O ALA D 13 0.245 2.862 14.909 1.00 33.27 O +ATOM 151 CB ALA D 13 2.818 2.113 13.052 1.00 36.64 C +ATOM 152 H ALA D 13 4.295 1.653 14.971 1.00 42.36 H +ATOM 153 HA ALA D 13 2.615 3.520 14.520 1.00 36.86 H +ATOM 154 HB1 ALA D 13 2.122 2.489 12.491 1.00 44.01 H +ATOM 155 HB2 ALA D 13 3.687 2.433 12.759 1.00 44.01 H +ATOM 156 HB3 ALA D 13 2.791 1.144 13.007 1.00 44.01 H +ATOM 157 N ALA D 14 1.111 0.821 15.409 1.00 34.05 N +ATOM 158 CA ALA D 14 -0.170 0.270 15.865 1.00 35.10 C +ATOM 159 C ALA D 14 -0.706 1.028 17.071 1.00 40.20 C +ATOM 160 O ALA D 14 -1.915 1.261 17.187 1.00 42.50 O +ATOM 161 CB ALA D 14 -0.012 -1.205 16.227 1.00 30.05 C +ATOM 162 H ALA D 14 1.768 0.270 15.467 1.00 40.89 H +ATOM 163 HA ALA D 14 -0.805 0.350 15.137 1.00 42.16 H +ATOM 164 HB1 ALA D 14 -0.859 -1.540 16.559 1.00 36.10 H +ATOM 165 HB2 ALA D 14 0.251 -1.697 15.434 1.00 36.10 H +ATOM 166 HB3 ALA D 14 0.670 -1.290 16.912 1.00 36.10 H +ATOM 167 N GLU D 15 0.179 1.450 17.966 1.00 43.32 N +ATOM 168 CA GLU D 15 -0.256 2.284 19.076 1.00 36.82 C +ATOM 169 C GLU D 15 -0.557 3.709 18.608 1.00 37.83 C +ATOM 170 O GLU D 15 -1.530 4.328 19.063 1.00 42.96 O +ATOM 171 CB GLU D 15 0.817 2.274 20.160 1.00 35.24 C +ATOM 172 CG GLU D 15 0.909 0.928 20.908 1.00 46.77 C +ATOM 173 CD GLU D 15 -0.426 0.479 21.490 1.00 48.65 C +ATOM 174 OE1 GLU D 15 -1.056 1.253 22.268 1.00 46.92 O +ATOM 175 OE2 GLU D 15 -0.841 -0.653 21.171 1.00 50.00 O1- +ATOM 176 H GLU D 15 1.020 1.272 17.954 1.00 52.02 H +ATOM 177 HA GLU D 15 -1.072 1.925 19.456 1.00 44.22 H +ATOM 178 HB2 GLU D 15 1.679 2.448 19.752 1.00 42.32 H +ATOM 179 HB3 GLU D 15 0.612 2.963 20.811 1.00 42.32 H +ATOM 180 HG2 GLU D 15 1.211 0.244 20.290 1.00 56.16 H +ATOM 181 HG3 GLU D 15 1.540 1.016 21.639 1.00 56.16 H +ATOM 182 N ILE D 16 0.271 4.265 17.721 1.00 31.30 N +ATOM 183 CA ILE D 16 -0.057 5.575 17.161 1.00 36.73 C +ATOM 184 C ILE D 16 -1.457 5.537 16.573 1.00 33.03 C +ATOM 185 O ILE D 16 -2.300 6.392 16.848 1.00 34.07 O +ATOM 186 CB ILE D 16 0.979 5.999 16.103 1.00 34.76 C +ATOM 187 CG1 ILE D 16 2.393 5.940 16.685 1.00 42.58 C +ATOM 188 CG2 ILE D 16 0.674 7.392 15.662 1.00 36.47 C +ATOM 189 CD1 ILE D 16 3.481 6.631 15.878 1.00 40.29 C +ATOM 190 H ILE D 16 1.003 3.915 17.438 1.00 37.59 H +ATOM 191 HA ILE D 16 -0.030 6.233 17.873 1.00 44.11 H +ATOM 192 HB ILE D 16 0.932 5.390 15.350 1.00 41.75 H +ATOM 193 HG12 ILE D 16 2.377 6.358 17.560 1.00 51.13 H +ATOM 194 HG13 ILE D 16 2.647 5.007 16.768 1.00 51.13 H +ATOM 195 HG21 ILE D 16 1.286 7.638 14.950 1.00 43.80 H +ATOM 196 HG22 ILE D 16 -0.240 7.427 15.340 1.00 43.80 H +ATOM 197 HG23 ILE D 16 0.784 7.993 16.415 1.00 43.80 H +ATOM 198 HD11 ILE D 16 4.346 6.316 16.180 1.00 48.38 H +ATOM 199 HD12 ILE D 16 3.360 6.419 14.939 1.00 48.38 H +ATOM 200 HD13 ILE D 16 3.412 7.589 16.012 1.00 48.38 H +ATOM 201 N VAL D 17 -1.702 4.555 15.706 1.00 39.64 N +ATOM 202 CA VAL D 17 -2.996 4.455 15.042 1.00 39.01 C +ATOM 203 C VAL D 17 -4.083 4.202 16.060 1.00 36.77 C +ATOM 204 O VAL D 17 -5.231 4.619 15.869 1.00 41.32 O +ATOM 205 CB VAL D 17 -2.954 3.377 13.943 1.00 29.98 C +ATOM 206 CG1 VAL D 17 -4.355 3.081 13.391 1.00 32.94 C +ATOM 207 CG2 VAL D 17 -2.076 3.862 12.825 1.00 31.35 C +ATOM 208 H VAL D 17 -1.142 3.940 15.487 1.00 47.60 H +ATOM 209 HA VAL D 17 -3.194 5.297 14.603 1.00 46.84 H +ATOM 210 HB VAL D 17 -2.605 2.556 14.322 1.00 36.01 H +ATOM 211 HG11 VAL D 17 -4.271 2.527 12.598 1.00 39.57 H +ATOM 212 HG12 VAL D 17 -4.869 2.613 14.068 1.00 39.57 H +ATOM 213 HG13 VAL D 17 -4.790 3.919 13.165 1.00 39.57 H +ATOM 214 HG21 VAL D 17 -2.049 3.188 12.130 1.00 37.66 H +ATOM 215 HG22 VAL D 17 -2.442 4.688 12.472 1.00 37.66 H +ATOM 216 HG23 VAL D 17 -1.183 4.017 13.172 1.00 37.66 H +ATOM 217 N ARG D 18 -3.755 3.511 17.148 1.00 38.32 N +ATOM 218 CA ARG D 18 -4.779 3.241 18.149 1.00 45.53 C +ATOM 219 C ARG D 18 -5.200 4.508 18.896 1.00 44.62 C +ATOM 220 O ARG D 18 -6.391 4.712 19.144 1.00 51.42 O +ATOM 221 CB ARG D 18 -4.284 2.201 19.157 1.00 40.56 C +ATOM 222 CG ARG D 18 -5.238 2.088 20.328 1.00 44.25 C +ATOM 223 CD ARG D 18 -4.611 1.409 21.539 1.00 54.98 C +ATOM 224 NE ARG D 18 -5.097 0.037 21.673 1.00 56.21 N +ATOM 225 CZ ARG D 18 -6.330 -0.314 22.020 1.00 53.35 C +ATOM 226 NH1 ARG D 18 -7.250 0.587 22.306 1.00 61.48 N1+ +ATOM 227 NH2 ARG D 18 -6.660 -1.606 22.034 1.00 64.35 N +ATOM 228 H ARG D 18 -2.974 3.198 17.324 1.00 46.01 H +ATOM 229 HA ARG D 18 -5.553 2.884 17.685 1.00 54.67 H +ATOM 230 HB2 ARG D 18 -4.223 1.336 18.724 1.00 48.71 H +ATOM 231 HB3 ARG D 18 -3.414 2.467 19.494 1.00 48.71 H +ATOM 232 HG2 ARG D 18 -5.517 2.977 20.595 1.00 53.13 H +ATOM 233 HG3 ARG D 18 -6.008 1.564 20.058 1.00 53.13 H +ATOM 234 HD2 ARG D 18 -3.647 1.386 21.434 1.00 66.01 H +ATOM 235 HD3 ARG D 18 -4.847 1.900 22.342 1.00 66.01 H +ATOM 236 HE ARG D 18 -4.537 -0.597 21.515 1.00 67.49 H +ATOM 237 HH11 ARG D 18 -7.058 1.425 22.270 1.00 73.82 H +ATOM 238 HH12 ARG D 18 -8.042 0.338 22.528 1.00 73.82 H +ATOM 239 HH21 ARG D 18 -6.077 -2.200 21.819 1.00 77.25 H +ATOM 240 HH22 ARG D 18 -7.455 -1.845 22.256 1.00 77.25 H +ATOM 241 N LEU D 19 -4.249 5.373 19.264 1.00 44.44 N +ATOM 242 CA LEU D 19 -4.638 6.617 19.918 1.00 39.06 C +ATOM 243 C LEU D 19 -5.538 7.444 19.013 1.00 47.87 C +ATOM 244 O LEU D 19 -6.458 8.116 19.487 1.00 55.40 O +ATOM 245 CB LEU D 19 -3.415 7.440 20.310 1.00 38.35 C +ATOM 246 CG LEU D 19 -2.455 6.821 21.323 1.00 39.69 C +ATOM 247 CD1 LEU D 19 -1.171 7.637 21.496 1.00 42.61 C +ATOM 248 CD2 LEU D 19 -3.110 6.687 22.649 1.00 33.98 C +ATOM 249 H LEU D 19 -3.403 5.265 19.151 1.00 53.36 H +ATOM 250 HA LEU D 19 -5.117 6.391 20.730 1.00 46.90 H +ATOM 251 HB2 LEU D 19 -2.902 7.614 19.505 1.00 46.06 H +ATOM 252 HB3 LEU D 19 -3.728 8.276 20.691 1.00 46.06 H +ATOM 253 HG LEU D 19 -2.212 5.947 20.981 1.00 47.67 H +ATOM 254 HD11 LEU D 19 -0.650 7.257 22.222 1.00 51.17 H +ATOM 255 HD12 LEU D 19 -0.663 7.605 20.671 1.00 51.17 H +ATOM 256 HD13 LEU D 19 -1.406 8.556 21.704 1.00 51.17 H +ATOM 257 HD21 LEU D 19 -2.462 6.352 23.289 1.00 40.81 H +ATOM 258 HD22 LEU D 19 -3.433 7.557 22.931 1.00 40.81 H +ATOM 259 HD23 LEU D 19 -3.852 6.067 22.574 1.00 40.81 H +ATOM 260 N ALA D 20 -5.253 7.454 17.710 1.00 50.95 N +ATOM 261 CA ALA D 20 -6.017 8.296 16.792 1.00 49.91 C +ATOM 262 C ALA D 20 -7.486 7.913 16.750 1.00 46.90 C +ATOM 263 O ALA D 20 -8.347 8.783 16.554 1.00 48.48 O +ATOM 264 CB ALA D 20 -5.416 8.250 15.389 1.00 48.59 C +ATOM 265 H ALA D 20 -4.631 6.990 17.338 1.00 61.18 H +ATOM 266 HA ALA D 20 -5.959 9.211 17.110 1.00 59.93 H +ATOM 267 HB1 ALA D 20 -5.940 8.818 14.804 1.00 58.35 H +ATOM 268 HB2 ALA D 20 -4.501 8.569 15.427 1.00 58.35 H +ATOM 269 HB3 ALA D 20 -5.435 7.335 15.067 1.00 58.35 H +ATOM 270 N ASN D 21 -7.801 6.628 16.902 1.00 56.51 N +ATOM 271 CA ASN D 21 -9.200 6.217 16.865 1.00 65.68 C +ATOM 272 C ASN D 21 -9.916 6.348 18.200 1.00 58.55 C +ATOM 273 O ASN D 21 -11.138 6.169 18.244 1.00 67.73 O +ATOM 274 CB ASN D 21 -9.300 4.758 16.423 1.00 46.74 C +ATOM 275 CG ASN D 21 -9.068 4.592 14.968 1.00 51.35 C +ATOM 276 ND2 ASN D 21 -7.800 4.498 14.593 1.00 54.92 N +ATOM 277 OD1 ASN D 21 -10.001 4.612 14.168 1.00 70.37 O +ATOM 278 H ASN D 21 -7.236 5.993 17.022 1.00 67.85 H +ATOM 279 HA ASN D 21 -9.653 6.784 16.223 1.00 78.86 H +ATOM 280 HB2 ASN D 21 -8.632 4.236 16.895 1.00 56.12 H +ATOM 281 HB3 ASN D 21 -10.187 4.424 16.627 1.00 56.12 H +ATOM 282 HD21 ASN D 21 -7.604 4.400 13.761 1.00 65.95 H +ATOM 283 HD22 ASN D 21 -7.174 4.533 15.180 1.00 65.95 H +ATOM 284 N SER D 22 -9.224 6.705 19.268 1.00 52.87 N +ATOM 285 CA SER D 22 -9.920 6.928 20.528 1.00 62.53 C +ATOM 286 C SER D 22 -10.418 8.377 20.630 1.00 65.53 C +ATOM 287 O SER D 22 -9.757 9.317 20.164 1.00 78.30 O +ATOM 288 CB SER D 22 -9.010 6.596 21.695 1.00 61.01 C +ATOM 289 OG SER D 22 -8.027 7.604 21.850 1.00 67.19 O +ATOM 290 H SER D 22 -8.372 6.823 19.291 1.00 63.48 H +ATOM 291 HA SER D 22 -10.694 6.344 20.577 1.00 75.07 H +ATOM 292 HB2 SER D 22 -9.539 6.540 22.507 1.00 73.25 H +ATOM 293 HB3 SER D 22 -8.571 5.747 21.527 1.00 73.25 H +ATOM 294 HG SER D 22 -7.646 7.749 21.115 1.00 80.66 H +ATOM 295 N LEU D 28 -3.635 15.345 20.851 1.00 59.95 N +ATOM 296 CA LEU D 28 -2.915 14.615 19.801 1.00 66.07 C +ATOM 297 C LEU D 28 -2.646 15.501 18.586 1.00 56.99 C +ATOM 298 O LEU D 28 -3.585 15.953 17.926 1.00 54.70 O +ATOM 299 CB LEU D 28 -3.723 13.394 19.357 1.00 54.16 C +ATOM 300 CG LEU D 28 -3.918 12.281 20.378 1.00 57.40 C +ATOM 301 CD1 LEU D 28 -4.796 11.159 19.858 1.00 63.53 C +ATOM 302 CD2 LEU D 28 -2.510 11.802 20.748 1.00 57.59 C +ATOM 303 H LEU D 28 -4.476 15.422 20.705 1.00 71.98 H +ATOM 304 HA LEU D 28 -2.064 14.323 20.160 1.00 79.32 H +ATOM 305 HB2 LEU D 28 -4.607 13.699 19.099 1.00 65.02 H +ATOM 306 HB3 LEU D 28 -3.272 13.001 18.594 1.00 65.02 H +ATOM 307 HG LEU D 28 -4.391 12.599 21.162 1.00 68.91 H +ATOM 308 HD11 LEU D 28 -5.193 10.694 20.612 1.00 76.27 H +ATOM 309 HD12 LEU D 28 -5.492 11.535 19.297 1.00 76.27 H +ATOM 310 HD13 LEU D 28 -4.251 10.544 19.342 1.00 76.27 H +ATOM 311 HD21 LEU D 28 -2.563 10.891 21.076 1.00 69.14 H +ATOM 312 HD22 LEU D 28 -1.946 11.838 19.960 1.00 69.14 H +ATOM 313 HD23 LEU D 28 -2.151 12.381 21.439 1.00 69.14 H +ATOM 314 N PRO D 29 -1.373 15.690 18.236 1.00 52.81 N +ATOM 315 CA PRO D 29 -1.077 16.534 17.065 1.00 74.73 C +ATOM 316 C PRO D 29 -1.431 15.897 15.734 1.00 67.21 C +ATOM 317 O PRO D 29 -0.613 15.966 14.804 1.00 67.98 O +ATOM 318 CB PRO D 29 0.443 16.751 17.173 1.00 76.41 C +ATOM 319 CG PRO D 29 0.960 15.485 17.854 1.00 68.65 C +ATOM 320 CD PRO D 29 -0.148 15.136 18.851 1.00 58.40 C +ATOM 321 HA PRO D 29 -1.554 17.375 17.148 1.00 89.72 H +ATOM 322 HB2 PRO D 29 0.828 16.855 16.290 1.00 91.73 H +ATOM 323 HB3 PRO D 29 0.629 17.538 17.710 1.00 91.73 H +ATOM 324 HG2 PRO D 29 1.081 14.778 17.201 1.00 82.42 H +ATOM 325 HG3 PRO D 29 1.798 15.665 18.309 1.00 82.42 H +ATOM 326 HD2 PRO D 29 -0.223 14.174 18.956 1.00 70.12 H +ATOM 327 HD3 PRO D 29 0.021 15.552 19.710 1.00 70.12 H +ATOM 328 N LEU D 30 -2.618 15.297 15.581 1.00 63.42 N +ATOM 329 CA LEU D 30 -2.936 14.530 14.381 1.00 57.78 C +ATOM 330 C LEU D 30 -4.159 15.083 13.665 1.00 55.63 C +ATOM 331 O LEU D 30 -5.202 15.295 14.297 1.00 49.19 O +ATOM 332 CB LEU D 30 -3.167 13.070 14.769 1.00 56.65 C +ATOM 333 CG LEU D 30 -1.895 12.416 15.298 1.00 54.99 C +ATOM 334 CD1 LEU D 30 -1.850 10.958 14.901 1.00 57.08 C +ATOM 335 CD2 LEU D 30 -0.659 13.153 14.775 1.00 54.01 C +ATOM 336 H LEU D 30 -3.252 15.324 16.161 1.00 76.14 H +ATOM 337 HA LEU D 30 -2.200 14.594 13.751 1.00 69.37 H +ATOM 338 HB2 LEU D 30 -3.843 13.028 15.464 1.00 68.02 H +ATOM 339 HB3 LEU D 30 -3.463 12.575 13.989 1.00 68.02 H +ATOM 340 HG LEU D 30 -1.890 12.467 16.267 1.00 66.02 H +ATOM 341 HD11 LEU D 30 -1.035 10.562 15.247 1.00 68.53 H +ATOM 342 HD12 LEU D 30 -2.621 10.504 15.274 1.00 68.53 H +ATOM 343 HD13 LEU D 30 -1.864 10.892 13.933 1.00 68.53 H +ATOM 344 HD21 LEU D 30 0.136 12.721 15.123 1.00 64.85 H +ATOM 345 HD22 LEU D 30 -0.658 13.118 13.806 1.00 64.85 H +ATOM 346 HD23 LEU D 30 -0.692 14.075 15.072 1.00 64.85 H +ATOM 347 N PRO D 31 -4.091 15.251 12.344 1.00 52.77 N +ATOM 348 CA PRO D 31 -5.173 15.866 11.548 1.00 52.54 C +ATOM 349 C PRO D 31 -6.319 14.881 11.316 1.00 54.59 C +ATOM 350 O PRO D 31 -6.223 13.740 11.706 1.00 50.19 O +ATOM 351 CB PRO D 31 -4.428 16.240 10.266 1.00 39.91 C +ATOM 352 CG PRO D 31 -3.424 15.168 10.149 1.00 45.06 C +ATOM 353 CD PRO D 31 -2.984 14.764 11.507 1.00 38.05 C +ATOM 354 HA PRO D 31 -5.541 16.664 11.956 1.00 63.08 H +ATOM 355 HB2 PRO D 31 -5.036 16.242 9.509 1.00 47.92 H +ATOM 356 HB3 PRO D 31 -4.011 17.110 10.359 1.00 47.92 H +ATOM 357 HG2 PRO D 31 -3.825 14.412 9.691 1.00 54.11 H +ATOM 358 HG3 PRO D 31 -2.668 15.500 9.640 1.00 54.11 H +ATOM 359 HD2 PRO D 31 -2.893 13.800 11.573 1.00 45.70 H +ATOM 360 HD3 PRO D 31 -2.149 15.193 11.747 1.00 45.70 H +ATOM 361 N LYS D 32 -7.422 15.268 10.679 1.00 56.67 N +ATOM 362 CA LYS D 32 -8.416 14.199 10.616 1.00 61.04 C +ATOM 363 C LYS D 32 -7.941 13.373 9.432 1.00 54.66 C +ATOM 364 O LYS D 32 -7.609 13.897 8.347 1.00 66.53 O +ATOM 365 CB LYS D 32 -9.893 14.697 10.513 1.00 63.70 C +ATOM 366 CG LYS D 32 -10.696 13.705 11.608 1.00 79.09 C +ATOM 367 CD LYS D 32 -12.231 14.320 12.180 1.00119.94 C +ATOM 368 CE LYS D 32 -13.328 14.419 11.105 1.00111.65 C +ATOM 369 NZ LYS D 32 -13.903 13.082 11.077 1.00 96.12 N1+ +ATOM 370 H LYS D 32 -7.594 16.033 10.326 1.00 68.04 H +ATOM 371 HA LYS D 32 -8.478 13.677 11.431 1.00 73.29 H +ATOM 372 HB2 LYS D 32 -9.970 15.628 10.775 1.00 76.48 H +ATOM 373 HB3 LYS D 32 -10.246 14.574 9.617 1.00 76.48 H +ATOM 374 HG2 LYS D 32 -10.868 12.851 11.180 1.00 94.95 H +ATOM 375 HG3 LYS D 32 -10.127 13.578 12.383 1.00 94.95 H +ATOM 376 HD2 LYS D 32 -12.560 13.731 12.878 1.00143.97 H +ATOM 377 HD3 LYS D 32 -12.092 15.212 12.537 1.00143.97 H +ATOM 378 HE2 LYS D 32 -14.002 15.071 11.350 1.00134.02 H +ATOM 379 HE3 LYS D 32 -12.950 14.641 10.239 1.00134.02 H +ATOM 380 HZ1 LYS D 32 -14.494 13.018 10.415 1.00115.38 H +ATOM 381 HZ2 LYS D 32 -13.263 12.477 10.951 1.00115.38 H +ATOM 382 HZ3 LYS D 32 -14.314 12.911 11.848 1.00115.38 H +ATOM 383 N ALA D 33 -8.085 12.090 9.615 1.00 59.36 N +ATOM 384 CA ALA D 33 -7.933 11.156 8.533 1.00 60.76 C +ATOM 385 C ALA D 33 -9.080 11.339 7.550 1.00 47.81 C +ATOM 386 O ALA D 33 -10.259 11.437 7.928 1.00 53.74 O +ATOM 387 CB ALA D 33 -7.947 9.792 9.190 1.00 51.70 C +ATOM 388 H ALA D 33 -8.276 11.723 10.369 1.00 71.27 H +ATOM 389 HA ALA D 33 -7.118 11.266 8.018 1.00 72.95 H +ATOM 390 HB1 ALA D 33 -7.859 9.111 8.505 1.00 62.07 H +ATOM 391 HB2 ALA D 33 -7.206 9.733 9.812 1.00 62.07 H +ATOM 392 HB3 ALA D 33 -8.787 9.678 9.662 1.00 62.07 H +ATOM 393 N ASP D 34 -8.733 11.301 6.290 1.00 36.72 N +ATOM 394 CA ASP D 34 -9.762 11.337 5.253 1.00 45.69 C +ATOM 395 C ASP D 34 -10.371 9.944 5.092 1.00 50.39 C +ATOM 396 O ASP D 34 -9.627 8.960 4.981 1.00 49.84 O +ATOM 397 CB ASP D 34 -9.191 11.847 3.933 1.00 36.54 C +ATOM 398 CG ASP D 34 -10.156 11.684 2.764 1.00 43.26 C +ATOM 399 OD1 ASP D 34 -11.374 11.396 2.930 1.00 44.68 O +ATOM 400 OD2 ASP D 34 -9.689 11.893 1.633 1.00 63.39 O1- +ATOM 401 H ASP D 34 -7.924 11.255 6.000 1.00 44.11 H +ATOM 402 HA ASP D 34 -10.470 11.948 5.509 1.00 54.86 H +ATOM 403 HB2 ASP D 34 -8.987 12.791 4.022 1.00 43.89 H +ATOM 404 HB3 ASP D 34 -8.384 11.351 3.726 1.00 43.89 H +ATOM 405 N PRO D 35 -11.705 9.798 5.165 1.00 52.85 N +ATOM 406 CA PRO D 35 -12.268 8.437 5.089 1.00 52.74 C +ATOM 407 C PRO D 35 -12.010 7.763 3.763 1.00 40.00 C +ATOM 408 O PRO D 35 -11.964 6.535 3.706 1.00 48.21 O +ATOM 409 CB PRO D 35 -13.772 8.642 5.359 1.00 54.01 C +ATOM 410 CG PRO D 35 -14.031 10.069 5.127 1.00 48.22 C +ATOM 411 CD PRO D 35 -12.749 10.810 5.414 1.00 50.24 C +ATOM 412 HA PRO D 35 -11.906 7.888 5.801 1.00 63.33 H +ATOM 413 HB2 PRO D 35 -14.291 8.095 4.749 1.00 64.85 H +ATOM 414 HB3 PRO D 35 -13.975 8.401 6.276 1.00 64.85 H +ATOM 415 HG2 PRO D 35 -14.297 10.201 4.204 1.00 57.90 H +ATOM 416 HG3 PRO D 35 -14.735 10.368 5.723 1.00 57.90 H +ATOM 417 HD2 PRO D 35 -12.647 11.566 4.816 1.00 60.33 H +ATOM 418 HD3 PRO D 35 -12.725 11.110 6.337 1.00 60.33 H +ATOM 419 N ALA D 36 -11.831 8.528 2.689 1.00 46.26 N +ATOM 420 CA ALA D 36 -11.507 7.916 1.406 1.00 35.29 C +ATOM 421 C ALA D 36 -10.074 7.413 1.400 1.00 35.92 C +ATOM 422 O ALA D 36 -9.753 6.414 0.739 1.00 37.83 O +ATOM 423 CB ALA D 36 -11.746 8.915 0.297 1.00 26.29 C +ATOM 424 H ALA D 36 -11.889 9.385 2.677 1.00 55.55 H +ATOM 425 HA ALA D 36 -12.087 7.155 1.247 1.00 42.38 H +ATOM 426 HB1 ALA D 36 -11.460 8.527 -0.545 1.00 31.59 H +ATOM 427 HB2 ALA D 36 -12.693 9.123 0.259 1.00 31.59 H +ATOM 428 HB3 ALA D 36 -11.237 9.720 0.481 1.00 31.59 H +ATOM 429 N THR D 37 -9.184 8.151 2.058 1.00 45.25 N +ATOM 430 CA THR D 37 -7.823 7.683 2.277 1.00 38.51 C +ATOM 431 C THR D 37 -7.800 6.459 3.180 1.00 37.35 C +ATOM 432 O THR D 37 -7.071 5.500 2.915 1.00 40.56 O +ATOM 433 CB THR D 37 -7.008 8.814 2.897 1.00 35.32 C +ATOM 434 CG2 THR D 37 -5.546 8.463 3.016 1.00 48.89 C +ATOM 435 OG1 THR D 37 -7.143 9.991 2.087 1.00 45.58 O +ATOM 436 H THR D 37 -9.345 8.928 2.390 1.00 54.34 H +ATOM 437 HA THR D 37 -7.424 7.434 1.428 1.00 46.25 H +ATOM 438 HB THR D 37 -7.341 8.979 3.794 1.00 42.43 H +ATOM 439 HG1 THR D 37 -6.784 10.646 2.470 1.00 54.73 H +ATOM 440 HG21 THR D 37 -5.063 9.191 3.436 1.00 58.70 H +ATOM 441 HG22 THR D 37 -5.440 7.662 3.553 1.00 58.70 H +ATOM 442 HG23 THR D 37 -5.172 8.303 2.135 1.00 58.70 H +ATOM 443 N VAL D 38 -8.587 6.470 4.258 1.00 39.24 N +ATOM 444 CA VAL D 38 -8.551 5.346 5.202 1.00 46.45 C +ATOM 445 C VAL D 38 -9.104 4.082 4.560 1.00 38.02 C +ATOM 446 O VAL D 38 -8.605 2.988 4.820 1.00 35.87 O +ATOM 447 CB VAL D 38 -9.273 5.688 6.520 1.00 40.08 C +ATOM 448 CG1 VAL D 38 -9.323 4.463 7.461 1.00 26.67 C +ATOM 449 CG2 VAL D 38 -8.554 6.829 7.222 1.00 38.63 C +ATOM 450 H VAL D 38 -9.136 7.098 4.463 1.00 47.13 H +ATOM 451 HA VAL D 38 -7.621 5.185 5.425 1.00 55.78 H +ATOM 452 HB VAL D 38 -10.182 5.953 6.312 1.00 48.14 H +ATOM 453 HG11 VAL D 38 -9.460 4.769 8.371 1.00 32.04 H +ATOM 454 HG12 VAL D 38 -10.058 3.889 7.191 1.00 32.04 H +ATOM 455 HG13 VAL D 38 -8.485 3.981 7.396 1.00 32.04 H +ATOM 456 HG21 VAL D 38 -9.020 7.035 8.048 1.00 46.39 H +ATOM 457 HG22 VAL D 38 -7.643 6.558 7.414 1.00 46.39 H +ATOM 458 HG23 VAL D 38 -8.552 7.606 6.641 1.00 46.39 H +ATOM 459 N LYS D 39 -10.196 4.195 3.795 1.00 39.23 N +ATOM 460 CA LYS D 39 -10.774 3.015 3.177 1.00 38.06 C +ATOM 461 C LYS D 39 -9.841 2.465 2.114 1.00 42.75 C +ATOM 462 O LYS D 39 -9.773 1.251 1.909 1.00 41.22 O +ATOM 463 CB LYS D 39 -12.140 3.294 2.550 1.00 55.46 C +ATOM 464 CG LYS D 39 -12.964 2.002 2.539 1.00 68.39 C +ATOM 465 CD LYS D 39 -14.365 2.083 1.969 1.00114.39 C +ATOM 466 CE LYS D 39 -14.420 1.351 0.652 1.00112.20 C +ATOM 467 NZ LYS D 39 -15.488 0.324 0.739 1.00120.85 N1+ +ATOM 468 H LYS D 39 -10.608 4.931 3.626 1.00 47.11 H +ATOM 469 HA LYS D 39 -10.913 2.359 3.880 1.00 45.71 H +ATOM 470 HB2 LYS D 39 -12.610 3.963 3.071 1.00 66.59 H +ATOM 471 HB3 LYS D 39 -12.025 3.603 1.638 1.00 66.59 H +ATOM 472 HG2 LYS D 39 -12.485 1.344 2.011 1.00 82.10 H +ATOM 473 HG3 LYS D 39 -13.051 1.694 3.454 1.00 82.10 H +ATOM 474 HD2 LYS D 39 -14.994 1.673 2.582 1.00137.30 H +ATOM 475 HD3 LYS D 39 -14.604 3.012 1.820 1.00137.30 H +ATOM 476 HE2 LYS D 39 -14.630 1.968 -0.065 1.00134.68 H +ATOM 477 HE3 LYS D 39 -13.572 0.913 0.478 1.00134.68 H +ATOM 478 HZ1 LYS D 39 -15.768 0.105 -0.077 1.00145.05 H +ATOM 479 HZ2 LYS D 39 -15.178 -0.406 1.144 1.00145.05 H +ATOM 480 HZ3 LYS D 39 -16.178 0.640 1.205 1.00145.05 H +ATOM 481 N ALA D 40 -9.149 3.350 1.386 1.00 44.49 N +ATOM 482 CA ALA D 40 -8.234 2.872 0.356 1.00 35.31 C +ATOM 483 C ALA D 40 -7.091 2.080 0.966 1.00 31.11 C +ATOM 484 O ALA D 40 -6.746 1.004 0.479 1.00 42.14 O +ATOM 485 CB ALA D 40 -7.687 4.042 -0.454 1.00 40.46 C +ATOM 486 H ALA D 40 -9.194 4.205 1.468 1.00 53.42 H +ATOM 487 HA ALA D 40 -8.724 2.292 -0.247 1.00 42.41 H +ATOM 488 HB1 ALA D 40 -7.130 3.697 -1.170 1.00 48.59 H +ATOM 489 HB2 ALA D 40 -8.430 4.544 -0.825 1.00 48.59 H +ATOM 490 HB3 ALA D 40 -7.162 4.612 0.129 1.00 48.59 H +ATOM 491 N THR D 41 -6.509 2.570 2.051 1.00 32.70 N +ATOM 492 CA THR D 41 -5.386 1.862 2.650 1.00 31.50 C +ATOM 493 C THR D 41 -5.814 0.484 3.126 1.00 35.10 C +ATOM 494 O THR D 41 -5.106 -0.502 2.943 1.00 34.16 O +ATOM 495 CB THR D 41 -4.831 2.672 3.820 1.00 30.36 C +ATOM 496 CG2 THR D 41 -3.710 1.954 4.504 1.00 37.21 C +ATOM 497 OG1 THR D 41 -4.334 3.925 3.353 1.00 34.63 O +ATOM 498 H THR D 41 -6.737 3.296 2.451 1.00 39.27 H +ATOM 499 HA THR D 41 -4.685 1.756 1.988 1.00 37.84 H +ATOM 500 HB THR D 41 -5.547 2.811 4.458 1.00 36.47 H +ATOM 501 HG1 THR D 41 -4.966 4.391 3.053 1.00 41.59 H +ATOM 502 HG21 THR D 41 -3.262 2.551 5.122 1.00 44.69 H +ATOM 503 HG22 THR D 41 -4.057 1.192 4.994 1.00 44.69 H +ATOM 504 HG23 THR D 41 -3.068 1.641 3.848 1.00 44.69 H +ATOM 505 N ASP D 42 -6.959 0.401 3.772 1.00 33.10 N +ATOM 506 CA ASP D 42 -7.319 -0.865 4.363 1.00 34.83 C +ATOM 507 C ASP D 42 -7.605 -1.892 3.292 1.00 40.38 C +ATOM 508 O ASP D 42 -7.246 -3.067 3.444 1.00 37.64 O +ATOM 509 CB ASP D 42 -8.542 -0.695 5.255 1.00 40.90 C +ATOM 510 CG ASP D 42 -8.200 -0.325 6.713 1.00 40.63 C +ATOM 511 OD1 ASP D 42 -7.137 -0.728 7.258 1.00 35.46 O +ATOM 512 OD2 ASP D 42 -9.059 0.356 7.319 1.00 40.46 O1- +ATOM 513 H ASP D 42 -7.524 1.041 3.877 1.00 39.76 H +ATOM 514 HA ASP D 42 -6.582 -1.178 4.911 1.00 41.83 H +ATOM 515 HB2 ASP D 42 -9.097 0.014 4.892 1.00 49.12 H +ATOM 516 HB3 ASP D 42 -9.036 -1.528 5.269 1.00 49.12 H +ATOM 517 N ASP D 43 -8.275 -1.466 2.217 1.00 37.18 N +ATOM 518 CA ASP D 43 -8.586 -2.359 1.111 1.00 42.61 C +ATOM 519 C ASP D 43 -7.308 -2.926 0.521 1.00 38.44 C +ATOM 520 O ASP D 43 -7.184 -4.131 0.294 1.00 29.93 O +ATOM 521 CB ASP D 43 -9.432 -1.591 0.092 1.00 41.14 C +ATOM 522 CG ASP D 43 -10.899 -1.460 0.547 1.00 45.50 C +ATOM 523 OD1 ASP D 43 -11.189 -1.787 1.723 1.00 60.00 O +ATOM 524 OD2 ASP D 43 -11.766 -1.051 -0.241 1.00 39.64 O1- +ATOM 525 H ASP D 43 -8.561 -0.662 2.109 1.00 44.65 H +ATOM 526 HA ASP D 43 -9.112 -3.120 1.402 1.00 51.17 H +ATOM 527 HB2 ASP D 43 -9.069 -0.698 -0.017 1.00 49.41 H +ATOM 528 HB3 ASP D 43 -9.419 -2.061 -0.756 1.00 49.41 H +ATOM 529 N PHE D 44 -6.313 -2.083 0.357 1.00 38.44 N +ATOM 530 CA PHE D 44 -5.035 -2.556 -0.143 1.00 46.04 C +ATOM 531 C PHE D 44 -4.449 -3.607 0.794 1.00 35.53 C +ATOM 532 O PHE D 44 -4.120 -4.716 0.373 1.00 41.64 O +ATOM 533 CB PHE D 44 -4.112 -1.343 -0.273 1.00 34.78 C +ATOM 534 CG PHE D 44 -2.686 -1.684 -0.506 1.00 38.85 C +ATOM 535 CD1 PHE D 44 -2.312 -2.463 -1.564 1.00 40.07 C +ATOM 536 CD2 PHE D 44 -1.715 -1.224 0.344 1.00 32.64 C +ATOM 537 CE1 PHE D 44 -0.980 -2.752 -1.782 1.00 41.74 C +ATOM 538 CE2 PHE D 44 -0.397 -1.534 0.131 1.00 36.68 C +ATOM 539 CZ PHE D 44 -0.038 -2.296 -0.927 1.00 37.82 C +ATOM 540 H PHE D 44 -6.347 -1.240 0.523 1.00 46.17 H +ATOM 541 HA PHE D 44 -5.132 -2.974 -1.012 1.00 55.28 H +ATOM 542 HB2 PHE D 44 -4.412 -0.805 -1.022 1.00 41.77 H +ATOM 543 HB3 PHE D 44 -4.161 -0.827 0.547 1.00 41.77 H +ATOM 544 HD1 PHE D 44 -2.958 -2.800 -2.142 1.00 48.12 H +ATOM 545 HD2 PHE D 44 -1.953 -0.696 1.072 1.00 39.20 H +ATOM 546 HE1 PHE D 44 -0.730 -3.263 -2.518 1.00 50.13 H +ATOM 547 HE2 PHE D 44 0.253 -1.219 0.717 1.00 44.06 H +ATOM 548 HZ PHE D 44 0.858 -2.505 -1.066 1.00 45.42 H +ATOM 549 N ILE D 45 -4.374 -3.299 2.084 1.00 36.18 N +ATOM 550 CA ILE D 45 -3.754 -4.233 3.016 1.00 35.15 C +ATOM 551 C ILE D 45 -4.589 -5.502 3.114 1.00 38.31 C +ATOM 552 O ILE D 45 -4.050 -6.605 3.239 1.00 43.64 O +ATOM 553 CB ILE D 45 -3.559 -3.578 4.397 1.00 43.73 C +ATOM 554 CG1 ILE D 45 -2.579 -2.393 4.295 1.00 29.42 C +ATOM 555 CG2 ILE D 45 -3.124 -4.652 5.419 1.00 37.24 C +ATOM 556 CD1 ILE D 45 -1.163 -2.825 4.030 1.00 33.62 C +ATOM 557 H ILE D 45 -4.665 -2.573 2.438 1.00 43.45 H +ATOM 558 HA ILE D 45 -2.877 -4.468 2.675 1.00 42.21 H +ATOM 559 HB ILE D 45 -4.398 -3.207 4.713 1.00 52.51 H +ATOM 560 HG12 ILE D 45 -2.858 -1.815 3.567 1.00 35.34 H +ATOM 561 HG13 ILE D 45 -2.590 -1.902 5.132 1.00 35.34 H +ATOM 562 HG21 ILE D 45 -2.703 -4.215 6.176 1.00 44.72 H +ATOM 563 HG22 ILE D 45 -3.907 -5.143 5.714 1.00 44.72 H +ATOM 564 HG23 ILE D 45 -2.496 -5.256 4.994 1.00 44.72 H +ATOM 565 HD11 ILE D 45 -0.633 -2.046 3.800 1.00 40.38 H +ATOM 566 HD12 ILE D 45 -0.805 -3.245 4.828 1.00 40.38 H +ATOM 567 HD13 ILE D 45 -1.158 -3.457 3.294 1.00 40.38 H +ATOM 568 N ASP D 46 -5.917 -5.364 3.074 1.00 37.48 N +ATOM 569 CA ASP D 46 -6.773 -6.540 3.034 1.00 32.84 C +ATOM 570 C ASP D 46 -6.377 -7.445 1.874 1.00 34.12 C +ATOM 571 O ASP D 46 -6.234 -8.657 2.042 1.00 42.80 O +ATOM 572 CB ASP D 46 -8.247 -6.130 2.940 1.00 38.00 C +ATOM 573 CG ASP D 46 -8.816 -5.548 4.270 1.00 49.82 C +ATOM 574 OD1 ASP D 46 -8.094 -5.405 5.301 1.00 38.71 O +ATOM 575 OD2 ASP D 46 -10.027 -5.237 4.289 1.00 53.10 O1- +ATOM 576 H ASP D 46 -6.335 -4.612 3.068 1.00 45.01 H +ATOM 577 HA ASP D 46 -6.671 -7.039 3.860 1.00 39.44 H +ATOM 578 HB2 ASP D 46 -8.340 -5.450 2.255 1.00 45.63 H +ATOM 579 HB3 ASP D 46 -8.775 -6.909 2.707 1.00 45.63 H +ATOM 580 N SER D 47 -6.111 -6.865 0.712 1.00 39.02 N +ATOM 581 CA SER D 47 -5.765 -7.668 -0.450 1.00 46.20 C +ATOM 582 C SER D 47 -4.431 -8.378 -0.269 1.00 49.03 C +ATOM 583 O SER D 47 -4.128 -9.310 -1.028 1.00 48.96 O +ATOM 584 CB SER D 47 -5.713 -6.795 -1.717 1.00 48.24 C +ATOM 585 OG SER D 47 -4.390 -6.353 -2.018 1.00 46.31 O +ATOM 586 H SER D 47 -6.124 -6.016 0.571 1.00 46.86 H +ATOM 587 HA SER D 47 -6.459 -8.335 -0.580 1.00 55.48 H +ATOM 588 HB2 SER D 47 -6.042 -7.317 -2.466 1.00 57.93 H +ATOM 589 HB3 SER D 47 -6.276 -6.018 -1.581 1.00 57.93 H +ATOM 590 HG SER D 47 -4.055 -5.972 -1.349 1.00 55.61 H +ATOM 591 N LEU D 48 -3.626 -7.953 0.705 1.00 38.38 N +ATOM 592 CA LEU D 48 -2.366 -8.627 0.955 1.00 39.49 C +ATOM 593 C LEU D 48 -2.500 -9.832 1.861 1.00 45.66 C +ATOM 594 O LEU D 48 -1.566 -10.638 1.935 1.00 47.69 O +ATOM 595 CB LEU D 48 -1.355 -7.695 1.636 1.00 35.18 C +ATOM 596 CG LEU D 48 -1.054 -6.331 1.041 1.00 37.59 C +ATOM 597 CD1 LEU D 48 0.267 -5.805 1.534 1.00 41.54 C +ATOM 598 CD2 LEU D 48 -1.097 -6.416 -0.471 1.00 46.07 C +ATOM 599 H LEU D 48 -3.789 -7.288 1.224 1.00 46.09 H +ATOM 600 HA LEU D 48 -2.030 -8.895 0.085 1.00 47.42 H +ATOM 601 HB2 LEU D 48 -1.678 -7.530 2.536 1.00 42.25 H +ATOM 602 HB3 LEU D 48 -0.508 -8.167 1.668 1.00 42.25 H +ATOM 603 HG LEU D 48 -1.729 -5.694 1.327 1.00 45.14 H +ATOM 604 HD11 LEU D 48 0.445 -4.951 1.109 1.00 49.88 H +ATOM 605 HD12 LEU D 48 0.224 -5.692 2.496 1.00 49.88 H +ATOM 606 HD13 LEU D 48 0.965 -6.438 1.306 1.00 49.88 H +ATOM 607 HD21 LEU D 48 -0.770 -5.582 -0.843 1.00 55.32 H +ATOM 608 HD22 LEU D 48 -0.533 -7.150 -0.761 1.00 55.32 H +ATOM 609 HD23 LEU D 48 -2.012 -6.569 -0.753 1.00 55.32 H +ATOM 610 N GLN D 49 -3.600 -9.962 2.592 1.00 42.82 N +ATOM 611 CA GLN D 49 -3.666 -11.015 3.590 1.00 42.88 C +ATOM 612 C GLN D 49 -3.638 -12.394 2.920 1.00 43.82 C +ATOM 613 O GLN D 49 -4.395 -12.663 1.986 1.00 44.00 O +ATOM 614 CB GLN D 49 -4.922 -10.836 4.450 1.00 45.50 C +ATOM 615 CG GLN D 49 -4.903 -9.618 5.393 1.00 46.35 C +ATOM 616 CD GLN D 49 -3.500 -9.288 5.900 1.00 51.86 C +ATOM 617 NE2 GLN D 49 -2.925 -10.214 6.659 1.00 52.02 N +ATOM 618 OE1 GLN D 49 -2.920 -8.250 5.563 1.00 40.92 O +ATOM 619 H GLN D 49 -4.300 -9.468 2.529 1.00 51.42 H +ATOM 620 HA GLN D 49 -2.894 -10.965 4.175 1.00 51.49 H +ATOM 621 HB2 GLN D 49 -5.685 -10.734 3.860 1.00 54.64 H +ATOM 622 HB3 GLN D 49 -5.030 -11.628 5.000 1.00 54.64 H +ATOM 623 HG2 GLN D 49 -5.240 -8.843 4.917 1.00 55.65 H +ATOM 624 HG3 GLN D 49 -5.464 -9.804 6.163 1.00 55.65 H +ATOM 625 HE21 GLN D 49 -3.341 -10.945 6.838 1.00 62.46 H +ATOM 626 HE22 GLN D 49 -2.135 -10.082 6.973 1.00 62.46 H +ATOM 627 N GLY D 50 -2.774 -13.278 3.421 1.00 40.76 N +ATOM 628 CA GLY D 50 -2.585 -14.586 2.830 1.00 39.47 C +ATOM 629 C GLY D 50 -1.406 -14.748 1.898 1.00 50.07 C +ATOM 630 O GLY D 50 -1.185 -15.862 1.396 1.00 64.43 O +ATOM 631 H GLY D 50 -2.282 -13.133 4.111 1.00 48.95 H +ATOM 632 HA2 GLY D 50 -2.475 -15.228 3.548 1.00 47.40 H +ATOM 633 HA3 GLY D 50 -3.384 -14.808 2.327 1.00 47.40 H +ATOM 634 N LYS D 51 -0.656 -13.693 1.631 1.00 42.64 N +ATOM 635 CA LYS D 51 0.573 -13.819 0.861 1.00 45.57 C +ATOM 636 C LYS D 51 1.750 -14.066 1.809 1.00 46.78 C +ATOM 637 O LYS D 51 1.714 -13.736 3.000 1.00 36.99 O +ATOM 638 CB LYS D 51 0.800 -12.569 -0.023 1.00 37.78 C +ATOM 639 CG LYS D 51 -0.475 -12.191 -0.767 1.00 32.94 C +ATOM 640 CD LYS D 51 -0.276 -11.600 -2.127 1.00 53.09 C +ATOM 641 CE LYS D 51 -1.597 -11.562 -2.930 1.00 46.94 C +ATOM 642 NZ LYS D 51 -2.863 -11.535 -2.129 1.00 50.86 N1+ +ATOM 643 H LYS D 51 -0.836 -12.891 1.882 1.00 51.20 H +ATOM 644 HA LYS D 51 0.518 -14.576 0.256 1.00 54.72 H +ATOM 645 HB2 LYS D 51 1.064 -11.821 0.537 1.00 45.37 H +ATOM 646 HB3 LYS D 51 1.493 -12.755 -0.675 1.00 45.37 H +ATOM 647 HG2 LYS D 51 -1.014 -12.990 -0.877 1.00 39.57 H +ATOM 648 HG3 LYS D 51 -0.957 -11.537 -0.237 1.00 39.57 H +ATOM 649 HD2 LYS D 51 0.054 -10.692 -2.037 1.00 63.74 H +ATOM 650 HD3 LYS D 51 0.364 -12.137 -2.619 1.00 63.74 H +ATOM 651 HE2 LYS D 51 -1.593 -10.763 -3.482 1.00 56.37 H +ATOM 652 HE3 LYS D 51 -1.633 -12.353 -3.491 1.00 56.37 H +ATOM 653 HZ1 LYS D 51 -3.554 -11.342 -2.656 1.00 61.07 H +ATOM 654 HZ2 LYS D 51 -3.001 -12.329 -1.750 1.00 61.07 H +ATOM 655 HZ3 LYS D 51 -2.806 -10.917 -1.491 1.00 61.07 H +ATOM 656 N ALA D 52 2.797 -14.672 1.258 1.00 43.59 N +ATOM 657 CA ALA D 52 4.012 -14.867 2.021 1.00 44.72 C +ATOM 658 C ALA D 52 4.395 -13.549 2.687 1.00 35.66 C +ATOM 659 O ALA D 52 4.230 -12.479 2.114 1.00 35.40 O +ATOM 660 CB ALA D 52 5.123 -15.355 1.092 1.00 41.60 C +ATOM 661 H ALA D 52 2.825 -14.973 0.453 1.00 52.35 H +ATOM 662 HA ALA D 52 3.890 -15.539 2.710 1.00 53.70 H +ATOM 663 HB1 ALA D 52 5.919 -15.534 1.618 1.00 49.96 H +ATOM 664 HB2 ALA D 52 4.831 -16.166 0.649 1.00 49.96 H +ATOM 665 HB3 ALA D 52 5.309 -14.668 0.434 1.00 49.96 H +ATOM 666 N ALA D 53 4.923 -13.640 3.901 1.00 39.14 N +ATOM 667 CA ALA D 53 5.323 -12.449 4.635 1.00 36.50 C +ATOM 668 C ALA D 53 6.209 -11.544 3.784 1.00 42.08 C +ATOM 669 O ALA D 53 5.933 -10.342 3.638 1.00 37.67 O +ATOM 670 CB ALA D 53 6.033 -12.879 5.923 1.00 28.20 C +ATOM 671 H ALA D 53 5.060 -14.377 4.321 1.00 47.01 H +ATOM 672 HA ALA D 53 4.538 -11.933 4.876 1.00 43.83 H +ATOM 673 HB1 ALA D 53 6.396 -12.094 6.360 1.00 33.87 H +ATOM 674 HB2 ALA D 53 5.392 -13.316 6.506 1.00 33.87 H +ATOM 675 HB3 ALA D 53 6.748 -13.494 5.699 1.00 33.87 H +ATOM 676 N HIS D 54 7.272 -12.107 3.193 1.00 42.56 N +ATOM 677 CA HIS D 54 8.153 -11.309 2.338 1.00 43.17 C +ATOM 678 C HIS D 54 7.383 -10.672 1.187 1.00 35.82 C +ATOM 679 O HIS D 54 7.697 -9.552 0.771 1.00 37.37 O +ATOM 680 CB HIS D 54 9.307 -12.152 1.776 1.00 41.82 C +ATOM 681 CG HIS D 54 10.435 -12.367 2.739 1.00 45.28 C +ATOM 682 CD2 HIS D 54 11.680 -12.863 2.549 1.00 52.09 C +ATOM 683 ND1 HIS D 54 10.352 -12.051 4.081 1.00 41.21 N +ATOM 684 CE1 HIS D 54 11.495 -12.350 4.675 1.00 40.82 C +ATOM 685 NE2 HIS D 54 12.317 -12.849 3.769 1.00 45.73 N +ATOM 686 H HIS D 54 7.499 -12.933 3.269 1.00 51.10 H +ATOM 687 HA HIS D 54 8.540 -10.610 2.888 1.00 51.84 H +ATOM 688 HB2 HIS D 54 8.961 -13.024 1.527 1.00 50.22 H +ATOM 689 HB3 HIS D 54 9.668 -11.703 0.996 1.00 50.22 H +ATOM 690 HD2 HIS D 54 12.039 -13.158 1.743 1.00 62.55 H +ATOM 691 HE1 HIS D 54 11.688 -12.229 5.577 1.00 49.02 H +ATOM 692 HE2 HIS D 54 13.119 -13.122 3.917 1.00 54.91 H +ATOM 693 N ASP D 55 6.360 -11.346 0.683 1.00 36.53 N +ATOM 694 CA ASP D 55 5.614 -10.780 -0.431 1.00 40.07 C +ATOM 695 C ASP D 55 4.886 -9.523 -0.004 1.00 36.48 C +ATOM 696 O ASP D 55 4.767 -8.572 -0.779 1.00 31.20 O +ATOM 697 CB ASP D 55 4.613 -11.803 -0.971 1.00 43.16 C +ATOM 698 CG ASP D 55 4.238 -11.542 -2.426 1.00 50.08 C +ATOM 699 OD1 ASP D 55 5.062 -10.936 -3.159 1.00 45.30 O +ATOM 700 OD2 ASP D 55 3.134 -11.968 -2.843 1.00 54.84 O1- +ATOM 701 H ASP D 55 6.084 -12.113 0.958 1.00 43.87 H +ATOM 702 HA ASP D 55 6.236 -10.557 -1.143 1.00 48.12 H +ATOM 703 HB2 ASP D 55 5.002 -12.689 -0.915 1.00 51.83 H +ATOM 704 HB3 ASP D 55 3.802 -11.762 -0.440 1.00 51.83 H +ATOM 705 N GLN D 56 4.333 -9.535 1.210 1.00 37.06 N +ATOM 706 CA GLN D 56 3.634 -8.371 1.732 1.00 34.10 C +ATOM 707 C GLN D 56 4.588 -7.210 1.957 1.00 34.07 C +ATOM 708 O GLN D 56 4.230 -6.053 1.705 1.00 31.41 O +ATOM 709 CB GLN D 56 2.916 -8.733 3.023 1.00 38.93 C +ATOM 710 CG GLN D 56 1.960 -9.856 2.852 1.00 38.41 C +ATOM 711 CD GLN D 56 1.212 -10.182 4.108 1.00 46.44 C +ATOM 712 NE2 GLN D 56 0.182 -11.019 3.982 1.00 58.51 N +ATOM 713 OE1 GLN D 56 1.578 -9.738 5.190 1.00 41.05 O +ATOM 714 H GLN D 56 4.349 -10.206 1.748 1.00 44.51 H +ATOM 715 HA GLN D 56 2.969 -8.089 1.086 1.00 40.95 H +ATOM 716 HB2 GLN D 56 3.572 -8.996 3.687 1.00 46.76 H +ATOM 717 HB3 GLN D 56 2.420 -7.960 3.335 1.00 46.76 H +ATOM 718 HG2 GLN D 56 1.312 -9.617 2.170 1.00 46.13 H +ATOM 719 HG3 GLN D 56 2.449 -10.648 2.580 1.00 46.13 H +ATOM 720 HE21 GLN D 56 -0.020 -11.339 3.210 1.00 70.24 H +ATOM 721 HE22 GLN D 56 -0.280 -11.237 4.674 1.00 70.24 H +ATOM 722 N LYS D 57 5.781 -7.502 2.487 1.00 27.92 N +ATOM 723 CA LYS D 57 6.747 -6.458 2.773 1.00 30.59 C +ATOM 724 C LYS D 57 7.228 -5.811 1.488 1.00 39.52 C +ATOM 725 O LYS D 57 7.409 -4.591 1.432 1.00 41.72 O +ATOM 726 CB LYS D 57 7.902 -7.051 3.573 1.00 35.27 C +ATOM 727 CG LYS D 57 7.413 -7.463 4.977 1.00 32.54 C +ATOM 728 CD LYS D 57 8.539 -7.722 5.957 1.00 38.07 C +ATOM 729 CE LYS D 57 7.990 -8.331 7.257 1.00 31.16 C +ATOM 730 NZ LYS D 57 9.074 -8.783 8.188 1.00 34.73 N1+ +ATOM 731 H LYS D 57 6.048 -8.295 2.688 1.00 33.54 H +ATOM 732 HA LYS D 57 6.342 -5.763 3.315 1.00 36.75 H +ATOM 733 HB2 LYS D 57 8.244 -7.837 3.119 1.00 42.36 H +ATOM 734 HB3 LYS D 57 8.605 -6.391 3.669 1.00 42.36 H +ATOM 735 HG2 LYS D 57 6.863 -6.751 5.339 1.00 39.08 H +ATOM 736 HG3 LYS D 57 6.893 -8.278 4.902 1.00 39.08 H +ATOM 737 HD2 LYS D 57 9.173 -8.344 5.567 1.00 45.72 H +ATOM 738 HD3 LYS D 57 8.982 -6.886 6.170 1.00 45.72 H +ATOM 739 HE2 LYS D 57 7.457 -7.665 7.719 1.00 37.43 H +ATOM 740 HE3 LYS D 57 7.442 -9.101 7.039 1.00 37.43 H +ATOM 741 HZ1 LYS D 57 8.724 -9.022 8.970 1.00 41.71 H +ATOM 742 HZ2 LYS D 57 9.504 -9.480 7.840 1.00 41.71 H +ATOM 743 HZ3 LYS D 57 9.656 -8.123 8.322 1.00 41.71 H +ATOM 744 N GLN D 58 7.387 -6.601 0.429 1.00 39.80 N +ATOM 745 CA GLN D 58 7.753 -6.033 -0.857 1.00 29.24 C +ATOM 746 C GLN D 58 6.659 -5.118 -1.388 1.00 36.71 C +ATOM 747 O GLN D 58 6.928 -3.972 -1.766 1.00 39.26 O +ATOM 748 CB GLN D 58 8.034 -7.154 -1.856 1.00 32.66 C +ATOM 749 CG GLN D 58 8.337 -6.708 -3.289 1.00 27.20 C +ATOM 750 CD GLN D 58 9.604 -5.876 -3.396 1.00 29.42 C +ATOM 751 NE2 GLN D 58 9.472 -4.651 -3.927 1.00 38.94 N +ATOM 752 OE1 GLN D 58 10.682 -6.316 -3.011 1.00 23.12 O +ATOM 753 H GLN D 58 7.290 -7.455 0.432 1.00 47.80 H +ATOM 754 HA GLN D 58 8.560 -5.507 -0.747 1.00 35.12 H +ATOM 755 HB2 GLN D 58 8.803 -7.655 -1.541 1.00 39.23 H +ATOM 756 HB3 GLN D 58 7.255 -7.731 -1.892 1.00 39.23 H +ATOM 757 HG2 GLN D 58 8.447 -7.495 -3.847 1.00 32.67 H +ATOM 758 HG3 GLN D 58 7.597 -6.172 -3.615 1.00 32.67 H +ATOM 759 HE21 GLN D 58 8.699 -4.376 -4.185 1.00 46.76 H +ATOM 760 HE22 GLN D 58 10.159 -4.143 -4.008 1.00 46.76 H +ATOM 761 N LYS D 59 5.414 -5.594 -1.424 1.00 33.88 N +ATOM 762 CA LYS D 59 4.362 -4.809 -2.076 1.00 34.35 C +ATOM 763 C LYS D 59 4.070 -3.497 -1.333 1.00 44.50 C +ATOM 764 O LYS D 59 4.010 -2.427 -1.961 1.00 44.97 O +ATOM 765 CB LYS D 59 3.087 -5.636 -2.221 1.00 38.90 C +ATOM 766 CG LYS D 59 3.218 -6.842 -3.122 1.00 37.04 C +ATOM 767 CD LYS D 59 1.841 -7.505 -3.363 1.00 42.01 C +ATOM 768 CE LYS D 59 1.984 -8.879 -4.069 1.00 46.60 C +ATOM 769 NZ LYS D 59 3.122 -8.843 -5.047 1.00 50.35 N1+ +ATOM 770 H LYS D 59 5.157 -6.343 -1.089 1.00 40.69 H +ATOM 771 HA LYS D 59 4.677 -4.579 -2.964 1.00 41.26 H +ATOM 772 HB2 LYS D 59 2.825 -5.955 -1.343 1.00 46.72 H +ATOM 773 HB3 LYS D 59 2.391 -5.069 -2.590 1.00 46.72 H +ATOM 774 HG2 LYS D 59 3.580 -6.566 -3.979 1.00 44.49 H +ATOM 775 HG3 LYS D 59 3.804 -7.493 -2.708 1.00 44.49 H +ATOM 776 HD2 LYS D 59 1.399 -7.644 -2.511 1.00 50.44 H +ATOM 777 HD3 LYS D 59 1.302 -6.928 -3.927 1.00 50.44 H +ATOM 778 HE2 LYS D 59 2.163 -9.568 -3.409 1.00 55.95 H +ATOM 779 HE3 LYS D 59 1.168 -9.085 -4.550 1.00 55.95 H +ATOM 780 HZ1 LYS D 59 3.139 -9.596 -5.522 1.00 60.45 H +ATOM 781 HZ2 LYS D 59 3.025 -8.154 -5.601 1.00 60.45 H +ATOM 782 HZ3 LYS D 59 3.895 -8.759 -4.613 1.00 60.45 H +ATOM 783 N LEU D 60 3.903 -3.541 0.002 1.00 35.63 N +ATOM 784 CA LEU D 60 3.761 -2.291 0.745 1.00 29.91 C +ATOM 785 C LEU D 60 5.058 -1.493 0.704 1.00 31.39 C +ATOM 786 O LEU D 60 5.041 -0.260 0.596 1.00 24.68 O +ATOM 787 CB LEU D 60 3.359 -2.567 2.188 1.00 35.31 C +ATOM 788 CG LEU D 60 3.413 -1.384 3.167 1.00 30.64 C +ATOM 789 CD1 LEU D 60 2.592 -0.162 2.807 1.00 30.07 C +ATOM 790 CD2 LEU D 60 3.022 -1.898 4.563 1.00 33.98 C +ATOM 791 H LEU D 60 3.872 -4.257 0.476 1.00 42.79 H +ATOM 792 HA LEU D 60 3.054 -1.766 0.339 1.00 35.93 H +ATOM 793 HB2 LEU D 60 2.445 -2.891 2.187 1.00 42.41 H +ATOM 794 HB3 LEU D 60 3.952 -3.251 2.537 1.00 42.41 H +ATOM 795 HG LEU D 60 4.324 -1.049 3.138 1.00 36.81 H +ATOM 796 HD11 LEU D 60 2.734 0.524 3.477 1.00 36.12 H +ATOM 797 HD12 LEU D 60 2.873 0.162 1.937 1.00 36.12 H +ATOM 798 HD13 LEU D 60 1.654 -0.408 2.779 1.00 36.12 H +ATOM 799 HD21 LEU D 60 2.674 -1.160 5.086 1.00 40.82 H +ATOM 800 HD22 LEU D 60 2.344 -2.586 4.469 1.00 40.82 H +ATOM 801 HD23 LEU D 60 3.808 -2.268 4.996 1.00 40.82 H +ATOM 802 N GLY D 61 6.189 -2.174 0.775 1.00 27.55 N +ATOM 803 CA GLY D 61 7.441 -1.457 0.679 1.00 33.48 C +ATOM 804 C GLY D 61 7.537 -0.604 -0.576 1.00 38.31 C +ATOM 805 O GLY D 61 8.093 0.501 -0.534 1.00 36.96 O +ATOM 806 H GLY D 61 6.256 -3.025 0.875 1.00 33.10 H +ATOM 807 HA2 GLY D 61 7.536 -0.876 1.450 1.00 40.21 H +ATOM 808 HA3 GLY D 61 8.173 -2.093 0.671 1.00 40.21 H +ATOM 809 N ASP D 62 6.969 -1.077 -1.698 1.00 36.44 N +ATOM 810 CA ASP D 62 6.989 -0.275 -2.923 1.00 36.10 C +ATOM 811 C ASP D 62 6.437 1.128 -2.627 1.00 34.44 C +ATOM 812 O ASP D 62 7.062 2.136 -2.944 1.00 30.81 O +ATOM 813 CB ASP D 62 6.145 -0.905 -4.056 1.00 41.89 C +ATOM 814 CG ASP D 62 6.619 -2.304 -4.533 1.00 43.39 C +ATOM 815 OD1 ASP D 62 7.823 -2.630 -4.518 1.00 35.77 O +ATOM 816 OD2 ASP D 62 5.731 -3.083 -4.967 1.00 38.42 O1- +ATOM 817 H ASP D 62 6.577 -1.839 -1.771 1.00 43.77 H +ATOM 818 HA ASP D 62 7.907 -0.238 -3.234 1.00 43.35 H +ATOM 819 HB2 ASP D 62 5.232 -1.001 -3.741 1.00 50.30 H +ATOM 820 HB3 ASP D 62 6.171 -0.313 -4.824 1.00 50.30 H +ATOM 821 N GLN D 63 5.295 1.207 -1.943 1.00 38.58 N +ATOM 822 CA GLN D 63 4.692 2.508 -1.655 1.00 38.20 C +ATOM 823 C GLN D 63 5.473 3.288 -0.622 1.00 33.89 C +ATOM 824 O GLN D 63 5.679 4.501 -0.769 1.00 37.14 O +ATOM 825 CB GLN D 63 3.268 2.347 -1.143 1.00 36.80 C +ATOM 826 CG GLN D 63 2.504 1.348 -1.913 1.00 45.06 C +ATOM 827 CD GLN D 63 1.169 1.863 -2.315 1.00 61.83 C +ATOM 828 NE2 GLN D 63 1.033 2.146 -3.607 1.00 71.27 N +ATOM 829 OE1 GLN D 63 0.276 2.075 -1.477 1.00 58.10 O +ATOM 830 H GLN D 63 4.856 0.533 -1.637 1.00 46.34 H +ATOM 831 HA GLN D 63 4.685 2.999 -2.492 1.00 45.88 H +ATOM 832 HB2 GLN D 63 3.294 2.059 -0.218 1.00 44.19 H +ATOM 833 HB3 GLN D 63 2.808 3.198 -1.214 1.00 44.19 H +ATOM 834 HG2 GLN D 63 2.996 1.121 -2.718 1.00 54.11 H +ATOM 835 HG3 GLN D 63 2.373 0.558 -1.368 1.00 54.11 H +ATOM 836 HE21 GLN D 63 1.694 2.027 -4.146 1.00 85.56 H +ATOM 837 HE22 GLN D 63 0.285 2.447 -3.906 1.00 85.56 H +ATOM 838 N LEU D 64 5.824 2.632 0.480 1.00 29.74 N +ATOM 839 CA LEU D 64 6.536 3.319 1.550 1.00 33.49 C +ATOM 840 C LEU D 64 7.857 3.858 1.049 1.00 31.83 C +ATOM 841 O LEU D 64 8.222 5.010 1.318 1.00 32.36 O +ATOM 842 CB LEU D 64 6.778 2.374 2.717 1.00 37.25 C +ATOM 843 CG LEU D 64 7.316 3.010 3.990 1.00 39.73 C +ATOM 844 CD1 LEU D 64 6.276 3.988 4.605 1.00 42.75 C +ATOM 845 CD2 LEU D 64 7.698 1.833 4.870 1.00 37.82 C +ATOM 846 H LEU D 64 5.665 1.801 0.631 1.00 35.72 H +ATOM 847 HA LEU D 64 5.989 4.056 1.865 1.00 40.23 H +ATOM 848 HB2 LEU D 64 5.936 1.950 2.942 1.00 44.74 H +ATOM 849 HB3 LEU D 64 7.421 1.705 2.435 1.00 44.74 H +ATOM 850 HG LEU D 64 8.091 3.578 3.859 1.00 47.71 H +ATOM 851 HD11 LEU D 64 6.472 4.104 5.548 1.00 51.33 H +ATOM 852 HD12 LEU D 64 6.335 4.840 4.148 1.00 51.33 H +ATOM 853 HD13 LEU D 64 5.388 3.613 4.495 1.00 51.33 H +ATOM 854 HD21 LEU D 64 8.078 2.167 5.697 1.00 45.42 H +ATOM 855 HD22 LEU D 64 6.903 1.309 5.059 1.00 45.42 H +ATOM 856 HD23 LEU D 64 8.349 1.287 4.403 1.00 45.42 H +ATOM 857 N PHE D 65 8.565 3.055 0.270 1.00 37.55 N +ATOM 858 CA PHE D 65 9.831 3.510 -0.278 1.00 39.50 C +ATOM 859 C PHE D 65 9.641 4.804 -1.034 1.00 28.08 C +ATOM 860 O PHE D 65 10.439 5.734 -0.908 1.00 27.17 O +ATOM 861 CB PHE D 65 10.387 2.457 -1.212 1.00 37.02 C +ATOM 862 CG PHE D 65 11.434 2.961 -2.127 1.00 37.46 C +ATOM 863 CD1 PHE D 65 12.728 3.123 -1.683 1.00 38.16 C +ATOM 864 CD2 PHE D 65 11.130 3.245 -3.460 1.00 39.71 C +ATOM 865 CE1 PHE D 65 13.710 3.559 -2.541 1.00 46.26 C +ATOM 866 CE2 PHE D 65 12.101 3.686 -4.324 1.00 42.24 C +ATOM 867 CZ PHE D 65 13.394 3.844 -3.872 1.00 50.46 C +ATOM 868 H PHE D 65 8.339 2.255 0.049 1.00 45.09 H +ATOM 869 HA PHE D 65 10.461 3.654 0.446 1.00 47.44 H +ATOM 870 HB2 PHE D 65 10.776 1.744 -0.681 1.00 44.46 H +ATOM 871 HB3 PHE D 65 9.663 2.108 -1.755 1.00 44.46 H +ATOM 872 HD1 PHE D 65 12.938 2.935 -0.797 1.00 45.83 H +ATOM 873 HD2 PHE D 65 10.258 3.135 -3.767 1.00 47.69 H +ATOM 874 HE1 PHE D 65 14.582 3.665 -2.235 1.00 55.55 H +ATOM 875 HE2 PHE D 65 11.888 3.876 -5.209 1.00 50.73 H +ATOM 876 HZ PHE D 65 14.057 4.139 -4.453 1.00 60.59 H +ATOM 877 N LYS D 66 8.592 4.863 -1.844 1.00 32.41 N +ATOM 878 CA LYS D 66 8.238 6.084 -2.556 1.00 37.06 C +ATOM 879 C LYS D 66 7.903 7.189 -1.564 1.00 41.05 C +ATOM 880 O LYS D 66 8.368 8.331 -1.691 1.00 36.63 O +ATOM 881 CB LYS D 66 7.034 5.783 -3.454 1.00 42.24 C +ATOM 882 CG LYS D 66 7.019 6.289 -4.862 1.00 48.85 C +ATOM 883 CD LYS D 66 5.998 5.456 -5.659 1.00 42.47 C +ATOM 884 CE LYS D 66 4.601 6.121 -5.641 1.00 54.64 C +ATOM 885 NZ LYS D 66 3.560 5.458 -6.529 1.00 57.12 N1+ +ATOM 886 H LYS D 66 8.062 4.205 -2.001 1.00 38.93 H +ATOM 887 HA LYS D 66 8.978 6.385 -3.108 1.00 44.51 H +ATOM 888 HB2 LYS D 66 6.950 4.819 -3.511 1.00 50.72 H +ATOM 889 HB3 LYS D 66 6.250 6.160 -3.023 1.00 50.72 H +ATOM 890 HG2 LYS D 66 6.753 7.221 -4.880 1.00 58.65 H +ATOM 891 HG3 LYS D 66 7.896 6.186 -5.263 1.00 58.65 H +ATOM 892 HD2 LYS D 66 6.290 5.383 -6.582 1.00 51.00 H +ATOM 893 HD3 LYS D 66 5.922 4.574 -5.265 1.00 51.00 H +ATOM 894 HE2 LYS D 66 4.262 6.101 -4.733 1.00 65.60 H +ATOM 895 HE3 LYS D 66 4.693 7.040 -5.940 1.00 65.60 H +ATOM 896 HZ1 LYS D 66 2.781 5.883 -6.454 1.00 68.58 H +ATOM 897 HZ2 LYS D 66 3.823 5.485 -7.378 1.00 68.58 H +ATOM 898 HZ3 LYS D 66 3.450 4.608 -6.288 1.00 68.58 H +ATOM 899 N LYS D 67 7.105 6.860 -0.542 1.00 39.21 N +ATOM 900 CA LYS D 67 6.761 7.904 0.407 1.00 36.32 C +ATOM 901 C LYS D 67 8.026 8.481 1.015 1.00 40.42 C +ATOM 902 O LYS D 67 8.180 9.712 1.102 1.00 38.91 O +ATOM 903 CB LYS D 67 5.835 7.393 1.497 1.00 35.84 C +ATOM 904 CG LYS D 67 5.620 8.433 2.566 1.00 43.90 C +ATOM 905 CD LYS D 67 5.018 9.676 2.011 1.00 39.07 C +ATOM 906 CE LYS D 67 3.788 9.343 1.224 1.00 36.36 C +ATOM 907 NZ LYS D 67 2.798 10.437 1.403 1.00 61.24 N1+ +ATOM 908 H LYS D 67 6.772 6.082 -0.390 1.00 47.09 H +ATOM 909 HA LYS D 67 6.274 8.599 -0.063 1.00 43.61 H +ATOM 910 HB2 LYS D 67 4.975 7.169 1.109 1.00 43.04 H +ATOM 911 HB3 LYS D 67 6.228 6.606 1.909 1.00 43.04 H +ATOM 912 HG2 LYS D 67 5.020 8.080 3.241 1.00 52.71 H +ATOM 913 HG3 LYS D 67 6.473 8.663 2.968 1.00 52.71 H +ATOM 914 HD2 LYS D 67 4.771 10.272 2.735 1.00 46.92 H +ATOM 915 HD3 LYS D 67 5.654 10.113 1.423 1.00 46.92 H +ATOM 916 HE2 LYS D 67 4.007 9.265 0.283 1.00 43.67 H +ATOM 917 HE3 LYS D 67 3.403 8.512 1.544 1.00 43.67 H +ATOM 918 HZ1 LYS D 67 2.075 10.279 0.909 1.00 73.52 H +ATOM 919 HZ2 LYS D 67 2.557 10.493 2.258 1.00 73.52 H +ATOM 920 HZ3 LYS D 67 3.154 11.213 1.153 1.00 73.52 H +ATOM 921 N ILE D 68 8.973 7.612 1.385 1.00 31.29 N +ATOM 922 CA ILE D 68 10.168 8.130 2.032 1.00 31.98 C +ATOM 923 C ILE D 68 10.965 8.974 1.060 1.00 32.17 C +ATOM 924 O ILE D 68 11.532 10.001 1.436 1.00 35.29 O +ATOM 925 CB ILE D 68 10.996 6.986 2.630 1.00 34.89 C +ATOM 926 CG1 ILE D 68 10.071 6.121 3.491 1.00 48.45 C +ATOM 927 CG2 ILE D 68 12.108 7.521 3.485 1.00 45.95 C +ATOM 928 CD1 ILE D 68 10.758 5.360 4.621 1.00 39.10 C +ATOM 929 H ILE D 68 8.944 6.760 1.275 1.00 37.58 H +ATOM 930 HA ILE D 68 9.904 8.702 2.768 1.00 38.41 H +ATOM 931 HB ILE D 68 11.386 6.467 1.909 1.00 41.90 H +ATOM 932 HG12 ILE D 68 9.401 6.696 3.893 1.00 58.18 H +ATOM 933 HG13 ILE D 68 9.644 5.465 2.917 1.00 58.18 H +ATOM 934 HG21 ILE D 68 12.613 6.776 3.848 1.00 55.18 H +ATOM 935 HG22 ILE D 68 12.686 8.078 2.941 1.00 55.18 H +ATOM 936 HG23 ILE D 68 11.727 8.045 4.206 1.00 55.18 H +ATOM 937 HD11 ILE D 68 10.094 4.845 5.105 1.00 46.95 H +ATOM 938 HD12 ILE D 68 11.425 4.766 4.242 1.00 46.95 H +ATOM 939 HD13 ILE D 68 11.182 5.996 5.217 1.00 46.95 H +ATOM 940 N ARG D 69 10.995 8.593 -0.208 1.00 40.07 N +ATOM 941 CA ARG D 69 11.754 9.380 -1.168 1.00 39.66 C +ATOM 942 C ARG D 69 11.245 10.823 -1.208 1.00 42.04 C +ATOM 943 O ARG D 69 12.037 11.765 -1.090 1.00 39.06 O +ATOM 944 CB ARG D 69 11.673 8.683 -2.528 1.00 42.28 C +ATOM 945 CG ARG D 69 12.921 8.769 -3.384 1.00 52.54 C +ATOM 946 CD ARG D 69 13.228 7.460 -4.097 1.00 55.54 C +ATOM 947 NE ARG D 69 14.466 7.459 -4.880 1.00 70.30 N +ATOM 948 CZ ARG D 69 15.645 6.986 -4.480 1.00 63.97 C +ATOM 949 NH1 ARG D 69 15.907 6.741 -3.204 1.00 48.07 N1+ +ATOM 950 NH2 ARG D 69 16.595 6.768 -5.387 1.00 66.82 N +ATOM 951 H ARG D 69 10.596 7.903 -0.532 1.00 48.12 H +ATOM 952 HA ARG D 69 12.689 9.430 -0.919 1.00 47.62 H +ATOM 953 HB2 ARG D 69 11.491 7.742 -2.379 1.00 50.77 H +ATOM 954 HB3 ARG D 69 10.949 9.085 -3.034 1.00 50.77 H +ATOM 955 HG2 ARG D 69 12.798 9.457 -4.058 1.00 63.08 H +ATOM 956 HG3 ARG D 69 13.679 8.989 -2.821 1.00 63.08 H +ATOM 957 HD2 ARG D 69 13.304 6.758 -3.432 1.00 66.68 H +ATOM 958 HD3 ARG D 69 12.498 7.262 -4.705 1.00 66.68 H +ATOM 959 HE ARG D 69 14.427 7.795 -5.670 1.00 84.40 H +ATOM 960 HH11 ARG D 69 15.306 6.889 -2.606 1.00 57.72 H +ATOM 961 HH12 ARG D 69 16.677 6.437 -2.974 1.00 57.72 H +ATOM 962 HH21 ARG D 69 16.442 6.931 -6.218 1.00 80.22 H +ATOM 963 HH22 ARG D 69 17.361 6.463 -5.143 1.00 80.22 H +ATOM 964 N THR D 70 9.922 11.020 -1.166 1.00 41.43 N +ATOM 965 CA THR D 70 9.411 12.387 -1.236 1.00 39.40 C +ATOM 966 C THR D 70 9.712 13.169 0.043 1.00 53.58 C +ATOM 967 O THR D 70 9.871 14.395 -0.019 1.00 61.37 O +ATOM 968 CB THR D 70 7.892 12.396 -1.523 1.00 39.76 C +ATOM 969 CG2 THR D 70 7.535 11.472 -2.673 1.00 42.78 C +ATOM 970 OG1 THR D 70 7.152 11.971 -0.368 1.00 55.67 O +ATOM 971 H THR D 70 9.326 10.403 -1.102 1.00 49.75 H +ATOM 972 HA THR D 70 9.841 12.839 -1.978 1.00 47.31 H +ATOM 973 HB THR D 70 7.646 13.304 -1.759 1.00 47.74 H +ATOM 974 HG1 THR D 70 7.380 11.192 -0.150 1.00 66.85 H +ATOM 975 HG21 THR D 70 6.686 11.735 -3.059 1.00 51.37 H +ATOM 976 HG22 THR D 70 8.220 11.515 -3.358 1.00 51.37 H +ATOM 977 HG23 THR D 70 7.468 10.558 -2.355 1.00 51.37 H +ATOM 978 N PHE D 71 9.882 12.490 1.184 1.00 53.05 N +ATOM 979 CA PHE D 71 10.338 13.190 2.378 1.00 50.21 C +ATOM 980 C PHE D 71 11.720 13.797 2.155 1.00 48.32 C +ATOM 981 O PHE D 71 12.134 14.663 2.940 1.00 35.79 O +ATOM 982 CB PHE D 71 10.391 12.236 3.579 1.00 47.92 C +ATOM 983 CG PHE D 71 9.050 11.800 4.068 1.00 40.89 C +ATOM 984 CD1 PHE D 71 7.899 12.438 3.637 1.00 45.51 C +ATOM 985 CD2 PHE D 71 8.942 10.744 4.938 1.00 32.99 C +ATOM 986 CE1 PHE D 71 6.669 12.030 4.062 1.00 39.60 C +ATOM 987 CE2 PHE D 71 7.726 10.345 5.389 1.00 36.99 C +ATOM 988 CZ PHE D 71 6.578 10.980 4.940 1.00 43.05 C +ATOM 989 H PHE D 71 9.745 11.647 1.284 1.00 63.70 H +ATOM 990 HA PHE D 71 9.704 13.891 2.598 1.00 60.29 H +ATOM 991 HB2 PHE D 71 10.885 11.442 3.322 1.00 57.54 H +ATOM 992 HB3 PHE D 71 10.841 12.685 4.311 1.00 57.54 H +ATOM 993 HD1 PHE D 71 7.966 13.154 3.048 1.00 54.65 H +ATOM 994 HD2 PHE D 71 9.708 10.300 5.221 1.00 39.62 H +ATOM 995 HE1 PHE D 71 5.901 12.459 3.760 1.00 47.55 H +ATOM 996 HE2 PHE D 71 7.663 9.645 5.998 1.00 44.42 H +ATOM 997 HZ PHE D 71 5.744 10.693 5.234 1.00 51.70 H +ATOM 998 N GLY D 72 12.413 13.384 1.077 1.00 43.97 N +ATOM 999 CA GLY D 72 13.740 13.875 0.762 1.00 34.09 C +ATOM 1000 C GLY D 72 14.860 13.235 1.543 1.00 43.34 C +ATOM 1001 O GLY D 72 15.955 13.811 1.619 1.00 53.59 O +ATOM 1002 H GLY D 72 12.119 12.809 0.510 1.00 52.81 H +ATOM 1003 HA2 GLY D 72 13.912 13.720 -0.180 1.00 40.95 H +ATOM 1004 HA3 GLY D 72 13.767 14.828 0.936 1.00 40.95 H +ATOM 1005 N VAL D 73 14.615 12.064 2.132 1.00 39.26 N +ATOM 1006 CA VAL D 73 15.579 11.398 3.001 1.00 47.74 C +ATOM 1007 C VAL D 73 16.466 10.463 2.190 1.00 36.78 C +ATOM 1008 O VAL D 73 15.965 9.611 1.455 1.00 46.11 O +ATOM 1009 CB VAL D 73 14.850 10.613 4.115 1.00 44.38 C +ATOM 1010 CG1 VAL D 73 15.793 10.234 5.232 1.00 44.61 C +ATOM 1011 CG2 VAL D 73 13.710 11.422 4.685 1.00 36.81 C +ATOM 1012 H VAL D 73 13.879 11.627 2.043 1.00 47.14 H +ATOM 1013 HA VAL D 73 16.151 12.075 3.395 1.00 57.32 H +ATOM 1014 HB VAL D 73 14.500 9.802 3.715 1.00 53.30 H +ATOM 1015 HG11 VAL D 73 15.310 9.711 5.891 1.00 53.57 H +ATOM 1016 HG12 VAL D 73 16.524 9.712 4.867 1.00 53.57 H +ATOM 1017 HG13 VAL D 73 16.139 11.043 5.642 1.00 53.57 H +ATOM 1018 HG21 VAL D 73 13.405 11.004 5.505 1.00 44.21 H +ATOM 1019 HG22 VAL D 73 14.020 12.323 4.868 1.00 44.21 H +ATOM 1020 HG23 VAL D 73 12.986 11.447 4.038 1.00 44.21 H +ATOM 1021 N LYS D 74 17.776 10.560 2.406 1.00 34.60 N +ATOM 1022 CA LYS D 74 18.713 9.558 1.953 1.00 34.84 C +ATOM 1023 C LYS D 74 18.428 8.236 2.661 1.00 43.53 C +ATOM 1024 O LYS D 74 17.851 8.200 3.748 1.00 51.70 O +ATOM 1025 CB LYS D 74 20.144 10.006 2.247 1.00 44.24 C +ATOM 1026 CG LYS D 74 20.953 10.461 1.035 1.00 58.87 C +ATOM 1027 CD LYS D 74 22.405 10.824 1.423 1.00 70.30 C +ATOM 1028 CE LYS D 74 23.367 10.571 0.250 1.00 85.48 C +ATOM 1029 NZ LYS D 74 24.818 10.779 0.573 1.00 91.26 N1+ +ATOM 1030 H LYS D 74 18.149 11.213 2.824 1.00 41.56 H +ATOM 1031 HA LYS D 74 18.628 9.427 0.995 1.00 41.84 H +ATOM 1032 HB2 LYS D 74 20.108 10.751 2.867 1.00 53.12 H +ATOM 1033 HB3 LYS D 74 20.619 9.263 2.650 1.00 53.12 H +ATOM 1034 HG2 LYS D 74 20.982 9.745 0.381 1.00 70.68 H +ATOM 1035 HG3 LYS D 74 20.536 11.247 0.646 1.00 70.68 H +ATOM 1036 HD2 LYS D 74 22.451 11.762 1.661 1.00 84.39 H +ATOM 1037 HD3 LYS D 74 22.685 10.277 2.174 1.00 84.39 H +ATOM 1038 HE2 LYS D 74 23.263 9.652 -0.043 1.00102.62 H +ATOM 1039 HE3 LYS D 74 23.139 11.177 -0.473 1.00102.62 H +ATOM 1040 HZ1 LYS D 74 25.315 10.615 -0.147 1.00109.55 H +ATOM 1041 HZ2 LYS D 74 24.953 11.619 0.832 1.00109.55 H +ATOM 1042 HZ3 LYS D 74 25.066 10.230 1.227 1.00109.55 H +ATOM 1043 N GLY D 75 18.865 7.140 2.043 1.00 49.51 N +ATOM 1044 CA GLY D 75 18.729 5.808 2.626 1.00 44.95 C +ATOM 1045 C GLY D 75 17.321 5.252 2.688 1.00 43.83 C +ATOM 1046 O GLY D 75 17.021 4.432 3.561 1.00 44.92 O +ATOM 1047 H GLY D 75 19.248 7.141 1.273 1.00 59.45 H +ATOM 1048 HA2 GLY D 75 19.265 5.190 2.105 1.00 53.98 H +ATOM 1049 HA3 GLY D 75 19.072 5.836 3.534 1.00 53.98 H +ATOM 1050 N ALA D 76 16.463 5.634 1.748 1.00 32.34 N +ATOM 1051 CA ALA D 76 15.083 5.189 1.802 1.00 36.70 C +ATOM 1052 C ALA D 76 14.950 3.670 1.741 1.00 40.09 C +ATOM 1053 O ALA D 76 13.989 3.140 2.326 1.00 36.80 O +ATOM 1054 CB ALA D 76 14.302 5.872 0.669 1.00 40.67 C +ATOM 1055 H ALA D 76 16.652 6.140 1.080 1.00 38.85 H +ATOM 1056 HA ALA D 76 14.688 5.470 2.643 1.00 44.08 H +ATOM 1057 HB1 ALA D 76 13.386 5.550 0.678 1.00 48.84 H +ATOM 1058 HB2 ALA D 76 14.316 6.831 0.809 1.00 48.84 H +ATOM 1059 HB3 ALA D 76 14.720 5.655 -0.179 1.00 48.84 H +ATOM 1060 N PRO D 77 15.811 2.933 1.051 1.00 46.55 N +ATOM 1061 CA PRO D 77 15.689 1.468 1.092 1.00 41.72 C +ATOM 1062 C PRO D 77 15.979 0.869 2.462 1.00 40.68 C +ATOM 1063 O PRO D 77 15.134 0.158 3.012 1.00 40.76 O +ATOM 1064 CB PRO D 77 16.706 1.017 0.036 1.00 34.81 C +ATOM 1065 CG PRO D 77 16.747 2.183 -0.923 1.00 39.63 C +ATOM 1066 CD PRO D 77 16.711 3.380 -0.023 1.00 40.16 C +ATOM 1067 HA PRO D 77 14.796 1.197 0.826 1.00 50.10 H +ATOM 1068 HB2 PRO D 77 17.572 0.865 0.446 1.00 41.81 H +ATOM 1069 HB3 PRO D 77 16.400 0.208 -0.402 1.00 41.81 H +ATOM 1070 HG2 PRO D 77 17.565 2.160 -1.445 1.00 47.60 H +ATOM 1071 HG3 PRO D 77 15.977 2.161 -1.512 1.00 47.60 H +ATOM 1072 HD2 PRO D 77 17.594 3.585 0.323 1.00 48.23 H +ATOM 1073 HD3 PRO D 77 16.349 4.153 -0.483 1.00 48.23 H +ATOM 1074 N LYS D 78 17.120 1.210 3.069 1.00 39.45 N +ATOM 1075 CA LYS D 78 17.430 0.648 4.378 1.00 43.37 C +ATOM 1076 C LYS D 78 16.380 1.068 5.399 1.00 36.37 C +ATOM 1077 O LYS D 78 15.924 0.242 6.188 1.00 30.86 O +ATOM 1078 CB LYS D 78 18.836 1.041 4.839 1.00 47.59 C +ATOM 1079 CG LYS D 78 19.940 0.887 3.784 1.00 52.80 C +ATOM 1080 CD LYS D 78 19.880 1.966 2.682 1.00 53.85 C +ATOM 1081 CE LYS D 78 20.404 1.455 1.373 1.00 44.93 C +ATOM 1082 NZ LYS D 78 20.052 2.419 0.322 1.00 60.15 N1+ +ATOM 1083 H LYS D 78 17.712 1.747 2.750 1.00 47.38 H +ATOM 1084 HA LYS D 78 17.426 -0.320 4.307 1.00 52.07 H +ATOM 1085 HB2 LYS D 78 18.819 1.973 5.107 1.00 57.14 H +ATOM 1086 HB3 LYS D 78 19.077 0.482 5.594 1.00 57.14 H +ATOM 1087 HG2 LYS D 78 20.804 0.955 4.221 1.00 63.39 H +ATOM 1088 HG3 LYS D 78 19.852 0.021 3.358 1.00 63.39 H +ATOM 1089 HD2 LYS D 78 18.959 2.241 2.553 1.00 64.66 H +ATOM 1090 HD3 LYS D 78 20.420 2.727 2.949 1.00 64.66 H +ATOM 1091 HE2 LYS D 78 21.369 1.368 1.413 1.00 53.95 H +ATOM 1092 HE3 LYS D 78 20.001 0.598 1.166 1.00 53.95 H +ATOM 1093 HZ1 LYS D 78 20.381 2.151 -0.460 1.00 72.21 H +ATOM 1094 HZ2 LYS D 78 19.167 2.486 0.254 1.00 72.21 H +ATOM 1095 HZ3 LYS D 78 20.387 3.220 0.517 1.00 72.21 H +ATOM 1096 N LEU D 79 15.925 2.322 5.335 1.00 38.26 N +ATOM 1097 CA LEU D 79 14.872 2.781 6.232 1.00 40.17 C +ATOM 1098 C LEU D 79 13.554 2.051 5.974 1.00 36.68 C +ATOM 1099 O LEU D 79 12.804 1.751 6.912 1.00 35.99 O +ATOM 1100 CB LEU D 79 14.669 4.285 6.072 1.00 35.08 C +ATOM 1101 CG LEU D 79 15.849 5.199 6.391 1.00 46.57 C +ATOM 1102 CD1 LEU D 79 15.622 6.676 5.996 1.00 44.21 C +ATOM 1103 CD2 LEU D 79 16.150 5.059 7.892 1.00 48.26 C +ATOM 1104 H LEU D 79 16.208 2.919 4.785 1.00 45.95 H +ATOM 1105 HA LEU D 79 15.148 2.598 7.145 1.00 48.24 H +ATOM 1106 HB2 LEU D 79 14.427 4.453 5.147 1.00 42.13 H +ATOM 1107 HB3 LEU D 79 13.943 4.550 6.658 1.00 42.13 H +ATOM 1108 HG LEU D 79 16.613 4.930 5.858 1.00 55.92 H +ATOM 1109 HD11 LEU D 79 16.376 7.204 6.302 1.00 53.09 H +ATOM 1110 HD12 LEU D 79 15.548 6.736 5.030 1.00 53.09 H +ATOM 1111 HD13 LEU D 79 14.805 6.993 6.411 1.00 53.09 H +ATOM 1112 HD21 LEU D 79 16.805 5.728 8.146 1.00 57.95 H +ATOM 1113 HD22 LEU D 79 15.330 5.192 8.392 1.00 57.95 H +ATOM 1114 HD23 LEU D 79 16.501 4.171 8.062 1.00 57.95 H +ATOM 1115 N THR D 80 13.250 1.751 4.712 1.00 42.97 N +ATOM 1116 CA THR D 80 11.994 1.071 4.389 1.00 41.38 C +ATOM 1117 C THR D 80 11.981 -0.350 4.932 1.00 37.02 C +ATOM 1118 O THR D 80 11.003 -0.787 5.545 1.00 39.40 O +ATOM 1119 CB THR D 80 11.786 1.040 2.880 1.00 28.61 C +ATOM 1120 CG2 THR D 80 10.484 0.347 2.560 1.00 36.50 C +ATOM 1121 OG1 THR D 80 11.751 2.375 2.379 1.00 34.12 O +ATOM 1122 H THR D 80 13.747 1.927 4.032 1.00 51.60 H +ATOM 1123 HA THR D 80 11.268 1.569 4.797 1.00 49.69 H +ATOM 1124 HB THR D 80 12.511 0.558 2.452 1.00 34.37 H +ATOM 1125 HG1 THR D 80 12.341 2.839 2.755 1.00 40.98 H +ATOM 1126 HG21 THR D 80 10.240 0.510 1.635 1.00 43.83 H +ATOM 1127 HG22 THR D 80 10.574 -0.610 2.697 1.00 43.83 H +ATOM 1128 HG23 THR D 80 9.779 0.682 3.135 1.00 43.83 H +ATOM 1129 N ILE D 81 13.064 -1.086 4.698 1.00 34.04 N +ATOM 1130 CA ILE D 81 13.213 -2.416 5.278 1.00 35.60 C +ATOM 1131 C ILE D 81 13.077 -2.344 6.789 1.00 32.76 C +ATOM 1132 O ILE D 81 12.353 -3.130 7.415 1.00 31.12 O +ATOM 1133 CB ILE D 81 14.574 -3.010 4.864 1.00 29.81 C +ATOM 1134 CG1 ILE D 81 14.638 -3.146 3.339 1.00 38.82 C +ATOM 1135 CG2 ILE D 81 14.807 -4.341 5.507 1.00 30.89 C +ATOM 1136 CD1 ILE D 81 15.997 -3.156 2.760 1.00 27.24 C +ATOM 1137 H ILE D 81 13.726 -0.839 4.209 1.00 40.88 H +ATOM 1138 HA ILE D 81 12.509 -2.992 4.940 1.00 42.76 H +ATOM 1139 HB ILE D 81 15.270 -2.406 5.169 1.00 35.81 H +ATOM 1140 HG12 ILE D 81 14.211 -3.980 3.089 1.00 46.62 H +ATOM 1141 HG13 ILE D 81 14.163 -2.398 2.946 1.00 46.62 H +ATOM 1142 HG21 ILE D 81 15.537 -4.787 5.051 1.00 37.10 H +ATOM 1143 HG22 ILE D 81 15.032 -4.206 6.440 1.00 37.10 H +ATOM 1144 HG23 ILE D 81 13.998 -4.871 5.434 1.00 37.10 H +ATOM 1145 HD11 ILE D 81 15.928 -3.246 1.796 1.00 32.72 H +ATOM 1146 HD12 ILE D 81 16.442 -2.325 2.984 1.00 32.72 H +ATOM 1147 HD13 ILE D 81 16.491 -3.906 3.127 1.00 32.72 H +ATOM 1148 N HIS D 82 13.799 -1.424 7.409 1.00 37.42 N +ATOM 1149 CA HIS D 82 13.760 -1.385 8.860 1.00 40.87 C +ATOM 1150 C HIS D 82 12.361 -1.129 9.371 1.00 35.81 C +ATOM 1151 O HIS D 82 11.923 -1.741 10.351 1.00 32.57 O +ATOM 1152 CB HIS D 82 14.619 -0.298 9.430 1.00 36.96 C +ATOM 1153 CG HIS D 82 14.312 -0.056 10.872 1.00 47.66 C +ATOM 1154 CD2 HIS D 82 13.459 0.811 11.468 1.00 42.83 C +ATOM 1155 ND1 HIS D 82 14.844 -0.825 11.883 1.00 47.07 N +ATOM 1156 CE1 HIS D 82 14.398 -0.387 13.045 1.00 39.53 C +ATOM 1157 NE2 HIS D 82 13.549 0.596 12.818 1.00 42.51 N +ATOM 1158 H HIS D 82 14.298 -0.836 7.030 1.00 44.94 H +ATOM 1159 HA HIS D 82 14.096 -2.247 9.149 1.00 49.08 H +ATOM 1160 HB2 HIS D 82 15.551 -0.553 9.355 1.00 44.38 H +ATOM 1161 HB3 HIS D 82 14.459 0.525 8.942 1.00 44.38 H +ATOM 1162 HD1 HIS D 82 15.382 -1.487 11.774 1.00 56.52 H +ATOM 1163 HD2 HIS D 82 12.915 1.434 11.042 1.00 51.43 H +ATOM 1164 HE1 HIS D 82 14.641 -0.716 13.880 1.00 47.48 H +ATOM 1165 N LEU D 83 11.673 -0.151 8.781 1.00 30.37 N +ATOM 1166 CA LEU D 83 10.305 0.106 9.202 1.00 33.33 C +ATOM 1167 C LEU D 83 9.427 -1.133 9.023 1.00 35.85 C +ATOM 1168 O LEU D 83 8.748 -1.556 9.972 1.00 36.63 O +ATOM 1169 CB LEU D 83 9.728 1.279 8.423 1.00 29.90 C +ATOM 1170 CG LEU D 83 10.250 2.634 8.852 1.00 31.20 C +ATOM 1171 CD1 LEU D 83 9.569 3.726 8.070 1.00 37.91 C +ATOM 1172 CD2 LEU D 83 10.006 2.876 10.277 1.00 29.09 C +ATOM 1173 H LEU D 83 11.969 0.360 8.156 1.00 36.48 H +ATOM 1174 HA LEU D 83 10.312 0.339 10.143 1.00 40.03 H +ATOM 1175 HB2 LEU D 83 9.948 1.164 7.486 1.00 35.91 H +ATOM 1176 HB3 LEU D 83 8.766 1.284 8.542 1.00 35.91 H +ATOM 1177 HG LEU D 83 11.206 2.648 8.686 1.00 37.47 H +ATOM 1178 HD11 LEU D 83 9.926 4.584 8.350 1.00 45.53 H +ATOM 1179 HD12 LEU D 83 9.739 3.591 7.124 1.00 45.53 H +ATOM 1180 HD13 LEU D 83 8.616 3.691 8.243 1.00 45.53 H +ATOM 1181 HD21 LEU D 83 9.978 3.833 10.435 1.00 34.94 H +ATOM 1182 HD22 LEU D 83 9.158 2.476 10.524 1.00 34.94 H +ATOM 1183 HD23 LEU D 83 10.724 2.477 10.792 1.00 34.94 H +ATOM 1184 N LEU D 84 9.515 -1.790 7.849 1.00 33.69 N +ATOM 1185 CA LEU D 84 8.661 -2.941 7.543 1.00 29.91 C +ATOM 1186 C LEU D 84 8.891 -4.114 8.499 1.00 33.89 C +ATOM 1187 O LEU D 84 7.937 -4.850 8.827 1.00 29.76 O +ATOM 1188 CB LEU D 84 8.873 -3.437 6.097 1.00 36.53 C +ATOM 1189 CG LEU D 84 8.312 -2.585 4.943 1.00 36.76 C +ATOM 1190 CD1 LEU D 84 8.999 -2.795 3.597 1.00 27.34 C +ATOM 1191 CD2 LEU D 84 6.786 -2.777 4.787 1.00 33.01 C +ATOM 1192 H LEU D 84 10.061 -1.586 7.218 1.00 40.46 H +ATOM 1193 HA LEU D 84 7.745 -2.635 7.633 1.00 35.93 H +ATOM 1194 HB2 LEU D 84 9.829 -3.509 5.949 1.00 43.87 H +ATOM 1195 HB3 LEU D 84 8.459 -4.311 6.023 1.00 43.87 H +ATOM 1196 HG LEU D 84 8.502 -1.668 5.196 1.00 44.14 H +ATOM 1197 HD11 LEU D 84 8.667 -2.134 2.967 1.00 32.84 H +ATOM 1198 HD12 LEU D 84 9.956 -2.690 3.711 1.00 32.84 H +ATOM 1199 HD13 LEU D 84 8.799 -3.687 3.276 1.00 32.84 H +ATOM 1200 HD21 LEU D 84 6.475 -2.244 4.038 1.00 39.65 H +ATOM 1201 HD22 LEU D 84 6.600 -3.715 4.626 1.00 39.65 H +ATOM 1202 HD23 LEU D 84 6.346 -2.488 5.602 1.00 39.65 H +ATOM 1203 N ASP D 85 10.129 -4.309 8.971 1.00 32.19 N +ATOM 1204 CA ASP D 85 10.407 -5.447 9.854 1.00 35.61 C +ATOM 1205 C ASP D 85 10.107 -5.172 11.321 1.00 25.66 C +ATOM 1206 O ASP D 85 10.191 -6.089 12.139 1.00 45.33 O +ATOM 1207 CB ASP D 85 11.875 -5.865 9.765 1.00 37.97 C +ATOM 1208 CG ASP D 85 12.248 -6.427 8.418 1.00 33.87 C +ATOM 1209 OD1 ASP D 85 11.346 -6.666 7.593 1.00 33.85 O +ATOM 1210 OD2 ASP D 85 13.451 -6.649 8.209 1.00 29.69 O1- +ATOM 1211 H ASP D 85 10.807 -3.808 8.798 1.00 38.66 H +ATOM 1212 HA ASP D 85 9.847 -6.176 9.546 1.00 42.77 H +ATOM 1213 HB2 ASP D 85 12.433 -5.090 9.931 1.00 45.60 H +ATOM 1214 HB3 ASP D 85 12.048 -6.548 10.432 1.00 45.60 H +ATOM 1215 N SER D 86 9.760 -3.947 11.673 1.00 37.97 N +ATOM 1216 CA SER D 86 9.586 -3.531 13.065 1.00 37.00 C +ATOM 1217 C SER D 86 8.210 -2.993 13.404 1.00 27.44 C +ATOM 1218 O SER D 86 7.934 -2.803 14.585 1.00 45.52 O +ATOM 1219 CB SER D 86 10.607 -2.446 13.427 1.00 33.49 C +ATOM 1220 OG SER D 86 10.343 -1.260 12.673 1.00 35.64 O +ATOM 1221 H SER D 86 9.615 -3.312 11.112 1.00 45.60 H +ATOM 1222 HA SER D 86 9.741 -4.309 13.623 1.00 44.44 H +ATOM 1223 HB2 SER D 86 10.538 -2.245 14.373 1.00 40.22 H +ATOM 1224 HB3 SER D 86 11.499 -2.764 13.220 1.00 40.22 H +ATOM 1225 HG SER D 86 10.540 -1.383 11.866 1.00 42.80 H +ATOM 1226 N GLU D 87 7.381 -2.679 12.422 1.00 36.46 N +ATOM 1227 CA GLU D 87 6.060 -2.131 12.640 1.00 36.18 C +ATOM 1228 C GLU D 87 4.975 -3.070 12.131 1.00 32.54 C +ATOM 1229 O GLU D 87 5.214 -3.952 11.304 1.00 42.24 O +ATOM 1230 CB GLU D 87 5.917 -0.775 11.927 1.00 29.67 C +ATOM 1231 CG GLU D 87 7.071 0.184 12.191 1.00 36.66 C +ATOM 1232 CD GLU D 87 7.041 0.872 13.567 1.00 38.39 C +ATOM 1233 OE1 GLU D 87 5.952 0.912 14.208 1.00 34.18 O +ATOM 1234 OE2 GLU D 87 8.126 1.394 13.973 1.00 35.11 O1- +ATOM 1235 H GLU D 87 7.573 -2.779 11.589 1.00 43.78 H +ATOM 1236 HA GLU D 87 5.926 -2.020 13.594 1.00 43.45 H +ATOM 1237 HB2 GLU D 87 5.875 -0.929 10.970 1.00 35.64 H +ATOM 1238 HB3 GLU D 87 5.101 -0.348 12.230 1.00 35.64 H +ATOM 1239 HG2 GLU D 87 7.902 -0.311 12.133 1.00 44.02 H +ATOM 1240 HG3 GLU D 87 7.051 0.882 11.518 1.00 44.02 H +ATOM 1241 N ASP D 88 3.756 -2.825 12.590 1.00 30.71 N +ATOM 1242 CA ASP D 88 2.603 -3.499 12.022 1.00 28.21 C +ATOM 1243 C ASP D 88 2.334 -2.903 10.654 1.00 37.72 C +ATOM 1244 O ASP D 88 2.132 -1.684 10.522 1.00 38.03 O +ATOM 1245 CB ASP D 88 1.367 -3.351 12.901 1.00 32.56 C +ATOM 1246 CG ASP D 88 0.197 -4.164 12.387 1.00 38.69 C +ATOM 1247 OD1 ASP D 88 0.282 -5.422 12.403 1.00 38.64 O +ATOM 1248 OD2 ASP D 88 -0.803 -3.539 11.973 1.00 33.96 O1- +ATOM 1249 H ASP D 88 3.573 -2.276 13.225 1.00 36.89 H +ATOM 1250 HA ASP D 88 2.792 -4.448 11.952 1.00 33.89 H +ATOM 1251 HB2 ASP D 88 1.576 -3.655 13.797 1.00 39.11 H +ATOM 1252 HB3 ASP D 88 1.102 -2.418 12.921 1.00 39.11 H +ATOM 1253 N LEU D 89 2.366 -3.775 9.642 1.00 34.36 N +ATOM 1254 CA LEU D 89 2.172 -3.361 8.267 1.00 29.71 C +ATOM 1255 C LEU D 89 0.918 -2.520 8.155 1.00 37.57 C +ATOM 1256 O LEU D 89 0.923 -1.434 7.555 1.00 36.63 O +ATOM 1257 CB LEU D 89 2.082 -4.596 7.376 1.00 30.97 C +ATOM 1258 CG LEU D 89 3.379 -4.960 6.629 1.00 49.40 C +ATOM 1259 CD1 LEU D 89 4.484 -5.313 7.684 1.00 37.14 C +ATOM 1260 CD2 LEU D 89 3.197 -6.088 5.598 1.00 35.13 C +ATOM 1261 H LEU D 89 2.501 -4.620 9.733 1.00 41.27 H +ATOM 1262 HA LEU D 89 2.927 -2.831 7.965 1.00 35.69 H +ATOM 1263 HB2 LEU D 89 1.843 -5.356 7.929 1.00 37.20 H +ATOM 1264 HB3 LEU D 89 1.395 -4.444 6.708 1.00 37.20 H +ATOM 1265 HG LEU D 89 3.661 -4.195 6.104 1.00 59.32 H +ATOM 1266 HD11 LEU D 89 5.329 -5.438 7.225 1.00 44.61 H +ATOM 1267 HD12 LEU D 89 4.557 -4.585 8.320 1.00 44.61 H +ATOM 1268 HD13 LEU D 89 4.233 -6.129 8.143 1.00 44.61 H +ATOM 1269 HD21 LEU D 89 4.026 -6.207 5.110 1.00 42.20 H +ATOM 1270 HD22 LEU D 89 2.965 -6.908 6.063 1.00 42.20 H +ATOM 1271 HD23 LEU D 89 2.485 -5.844 4.985 1.00 42.20 H +ATOM 1272 N ARG D 90 -0.173 -2.988 8.758 1.00 35.64 N +ATOM 1273 CA ARG D 90 -1.414 -2.255 8.579 1.00 35.52 C +ATOM 1274 C ARG D 90 -1.331 -0.861 9.193 1.00 32.49 C +ATOM 1275 O ARG D 90 -1.800 0.103 8.581 1.00 33.87 O +ATOM 1276 CB ARG D 90 -2.609 -3.005 9.147 1.00 34.69 C +ATOM 1277 CG ARG D 90 -3.871 -2.377 8.573 1.00 37.92 C +ATOM 1278 CD ARG D 90 -5.136 -3.002 9.019 1.00 31.14 C +ATOM 1279 NE ARG D 90 -5.307 -4.342 8.458 1.00 47.03 N +ATOM 1280 CZ ARG D 90 -6.033 -4.661 7.389 1.00 44.73 C +ATOM 1281 NH1 ARG D 90 -6.702 -3.747 6.693 1.00 37.44 N1+ +ATOM 1282 NH2 ARG D 90 -6.162 -5.944 7.060 1.00 51.25 N +ATOM 1283 H ARG D 90 -0.216 -3.692 9.252 1.00 42.81 H +ATOM 1284 HA ARG D 90 -1.560 -2.172 7.624 1.00 42.65 H +ATOM 1285 HB2 ARG D 90 -2.570 -3.939 8.890 1.00 41.66 H +ATOM 1286 HB3 ARG D 90 -2.623 -2.926 10.113 1.00 41.66 H +ATOM 1287 HG2 ARG D 90 -3.898 -1.443 8.836 1.00 45.54 H +ATOM 1288 HG3 ARG D 90 -3.838 -2.447 7.606 1.00 45.54 H +ATOM 1289 HD2 ARG D 90 -5.132 -3.075 9.987 1.00 37.40 H +ATOM 1290 HD3 ARG D 90 -5.883 -2.454 8.733 1.00 37.40 H +ATOM 1291 HE ARG D 90 -4.899 -4.985 8.857 1.00 56.47 H +ATOM 1292 HH11 ARG D 90 -6.674 -2.921 6.929 1.00 44.97 H +ATOM 1293 HH12 ARG D 90 -7.163 -3.982 6.006 1.00 44.97 H +ATOM 1294 HH21 ARG D 90 -5.781 -6.550 7.535 1.00 61.53 H +ATOM 1295 HH22 ARG D 90 -6.628 -6.167 6.371 1.00 61.53 H +ATOM 1296 N ALA D 91 -0.795 -0.728 10.417 1.00 37.43 N +ATOM 1297 CA ALA D 91 -0.713 0.605 11.023 1.00 32.77 C +ATOM 1298 C ALA D 91 0.239 1.490 10.245 1.00 35.91 C +ATOM 1299 O ALA D 91 -0.045 2.673 10.016 1.00 34.42 O +ATOM 1300 CB ALA D 91 -0.273 0.536 12.476 1.00 30.04 C +ATOM 1301 H ALA D 91 -0.486 -1.371 10.898 1.00 44.95 H +ATOM 1302 HA ALA D 91 -1.603 0.992 11.006 1.00 39.36 H +ATOM 1303 HB1 ALA D 91 -0.308 1.426 12.860 1.00 36.09 H +ATOM 1304 HB2 ALA D 91 -0.870 -0.057 12.959 1.00 36.09 H +ATOM 1305 HB3 ALA D 91 0.634 0.195 12.515 1.00 36.09 H +ATOM 1306 N LEU D 92 1.360 0.911 9.799 1.00 40.84 N +ATOM 1307 CA LEU D 92 2.345 1.640 8.994 1.00 41.10 C +ATOM 1308 C LEU D 92 1.717 2.223 7.746 1.00 36.23 C +ATOM 1309 O LEU D 92 2.008 3.362 7.373 1.00 36.52 O +ATOM 1310 CB LEU D 92 3.470 0.698 8.554 1.00 41.57 C +ATOM 1311 CG LEU D 92 4.837 1.165 8.061 1.00 41.69 C +ATOM 1312 CD1 LEU D 92 5.375 2.219 8.976 1.00 20.61 C +ATOM 1313 CD2 LEU D 92 5.743 -0.074 7.991 1.00 30.86 C +ATOM 1314 H LEU D 92 1.576 0.092 9.950 1.00 49.05 H +ATOM 1315 HA LEU D 92 2.706 2.351 9.547 1.00 49.36 H +ATOM 1316 HB2 LEU D 92 3.659 0.129 9.316 1.00 49.92 H +ATOM 1317 HB3 LEU D 92 3.108 0.169 7.826 1.00 49.92 H +ATOM 1318 HG LEU D 92 4.795 1.571 7.181 1.00 50.06 H +ATOM 1319 HD11 LEU D 92 6.318 2.350 8.788 1.00 24.77 H +ATOM 1320 HD12 LEU D 92 4.890 3.045 8.826 1.00 24.77 H +ATOM 1321 HD13 LEU D 92 5.258 1.929 9.895 1.00 24.77 H +ATOM 1322 HD21 LEU D 92 6.377 0.039 7.266 1.00 37.07 H +ATOM 1323 HD22 LEU D 92 6.217 -0.167 8.833 1.00 37.07 H +ATOM 1324 HD23 LEU D 92 5.194 -0.858 7.832 1.00 37.07 H +ATOM 1325 N ALA D 93 0.865 1.452 7.078 1.00 32.38 N +ATOM 1326 CA ALA D 93 0.229 1.957 5.875 1.00 32.97 C +ATOM 1327 C ALA D 93 -0.560 3.208 6.185 1.00 30.41 C +ATOM 1328 O ALA D 93 -0.522 4.168 5.412 1.00 30.70 O +ATOM 1329 CB ALA D 93 -0.687 0.896 5.261 1.00 35.55 C +ATOM 1330 H ALA D 93 0.644 0.650 7.297 1.00 38.89 H +ATOM 1331 HA ALA D 93 0.916 2.166 5.223 1.00 39.59 H +ATOM 1332 HB1 ALA D 93 -1.030 1.226 4.416 1.00 42.70 H +ATOM 1333 HB2 ALA D 93 -0.177 0.084 5.117 1.00 42.70 H +ATOM 1334 HB3 ALA D 93 -1.422 0.722 5.870 1.00 42.70 H +ATOM 1335 N HIS D 94 -1.277 3.228 7.324 1.00 39.04 N +ATOM 1336 CA HIS D 94 -2.067 4.410 7.697 1.00 30.25 C +ATOM 1337 C HIS D 94 -1.192 5.614 8.045 1.00 34.30 C +ATOM 1338 O HIS D 94 -1.494 6.750 7.649 1.00 31.72 O +ATOM 1339 CB HIS D 94 -2.964 4.071 8.847 1.00 24.46 C +ATOM 1340 CG HIS D 94 -4.096 3.188 8.463 1.00 21.74 C +ATOM 1341 CD2 HIS D 94 -4.291 1.859 8.635 1.00 23.94 C +ATOM 1342 ND1 HIS D 94 -5.193 3.653 7.776 1.00 24.16 N +ATOM 1343 CE1 HIS D 94 -6.024 2.651 7.543 1.00 27.37 C +ATOM 1344 NE2 HIS D 94 -5.499 1.549 8.053 1.00 29.99 N +ATOM 1345 H HIS D 94 -1.322 2.580 7.888 1.00 46.89 H +ATOM 1346 HA HIS D 94 -2.610 4.663 6.933 1.00 36.33 H +ATOM 1347 HB2 HIS D 94 -2.444 3.612 9.526 1.00 29.38 H +ATOM 1348 HB3 HIS D 94 -3.334 4.890 9.210 1.00 29.38 H +ATOM 1349 HD2 HIS D 94 -3.717 1.268 9.066 1.00 28.76 H +ATOM 1350 HE1 HIS D 94 -6.839 2.713 7.099 1.00 32.88 H +ATOM 1351 HE2 HIS D 94 -5.854 0.766 8.024 1.00 36.02 H +ATOM 1352 N LEU D 95 -0.088 5.400 8.758 1.00 32.61 N +ATOM 1353 CA LEU D 95 0.837 6.504 8.955 1.00 30.06 C +ATOM 1354 C LEU D 95 1.242 7.047 7.594 1.00 39.52 C +ATOM 1355 O LEU D 95 1.113 8.246 7.320 1.00 38.64 O +ATOM 1356 CB LEU D 95 2.067 6.035 9.741 1.00 33.04 C +ATOM 1357 CG LEU D 95 1.910 5.459 11.156 1.00 45.28 C +ATOM 1358 CD1 LEU D 95 3.267 5.220 11.860 1.00 34.73 C +ATOM 1359 CD2 LEU D 95 1.034 6.374 12.026 1.00 40.49 C +ATOM 1360 H LEU D 95 0.138 4.653 9.121 1.00 39.17 H +ATOM 1361 HA LEU D 95 0.416 7.204 9.478 1.00 36.11 H +ATOM 1362 HB2 LEU D 95 2.495 5.340 9.215 1.00 39.68 H +ATOM 1363 HB3 LEU D 95 2.660 6.799 9.827 1.00 39.68 H +ATOM 1364 HG LEU D 95 1.476 4.596 11.060 1.00 54.37 H +ATOM 1365 HD11 LEU D 95 3.104 4.959 12.780 1.00 41.71 H +ATOM 1366 HD12 LEU D 95 3.743 4.513 11.396 1.00 41.71 H +ATOM 1367 HD13 LEU D 95 3.784 6.040 11.835 1.00 41.71 H +ATOM 1368 HD21 LEU D 95 1.088 6.078 12.949 1.00 48.62 H +ATOM 1369 HD22 LEU D 95 1.358 7.285 11.952 1.00 48.62 H +ATOM 1370 HD23 LEU D 95 0.117 6.322 11.715 1.00 48.62 H +ATOM 1371 N MET D 96 1.695 6.135 6.712 1.00 42.40 N +ATOM 1372 CA MET D 96 2.173 6.465 5.371 1.00 31.20 C +ATOM 1373 C MET D 96 1.167 7.312 4.619 1.00 27.94 C +ATOM 1374 O MET D 96 1.511 8.356 4.061 1.00 32.98 O +ATOM 1375 CB MET D 96 2.469 5.156 4.601 1.00 30.05 C +ATOM 1376 CG MET D 96 2.978 5.327 3.143 1.00 40.09 C +ATOM 1377 SD MET D 96 3.048 3.813 2.119 1.00 42.39 S +ATOM 1378 CE MET D 96 1.418 3.159 2.389 1.00 33.33 C +ATOM 1379 H MET D 96 1.734 5.293 6.878 1.00 50.92 H +ATOM 1380 HA MET D 96 2.997 6.969 5.447 1.00 37.48 H +ATOM 1381 HB2 MET D 96 3.149 4.665 5.086 1.00 36.10 H +ATOM 1382 HB3 MET D 96 1.650 4.636 4.559 1.00 36.10 H +ATOM 1383 HG2 MET D 96 2.389 5.950 2.689 1.00 48.15 H +ATOM 1384 HG3 MET D 96 3.878 5.687 3.178 1.00 48.15 H +ATOM 1385 HE1 MET D 96 1.329 2.324 1.904 1.00 40.03 H +ATOM 1386 HE2 MET D 96 1.293 3.006 3.338 1.00 40.03 H +ATOM 1387 HE3 MET D 96 0.765 3.800 2.068 1.00 40.03 H +ATOM 1388 N ASN D 97 -0.089 6.880 4.611 1.00 36.89 N +ATOM 1389 CA ASN D 97 -1.089 7.500 3.751 1.00 36.78 C +ATOM 1390 C ASN D 97 -1.889 8.584 4.439 1.00 35.32 C +ATOM 1391 O ASN D 97 -2.415 9.449 3.750 1.00 42.32 O +ATOM 1392 CB ASN D 97 -2.117 6.483 3.210 1.00 37.23 C +ATOM 1393 CG ASN D 97 -1.506 5.424 2.294 1.00 31.24 C +ATOM 1394 ND2 ASN D 97 -2.024 4.190 2.344 1.00 26.41 N +ATOM 1395 OD1 ASN D 97 -0.578 5.713 1.573 1.00 35.12 O +ATOM 1396 H ASN D 97 -0.387 6.232 5.093 1.00 44.30 H +ATOM 1397 HA ASN D 97 -0.595 7.870 3.002 1.00 44.17 H +ATOM 1398 HB2 ASN D 97 -2.527 6.025 3.961 1.00 44.72 H +ATOM 1399 HB3 ASN D 97 -2.793 6.960 2.704 1.00 44.72 H +ATOM 1400 HD21 ASN D 97 -1.704 3.569 1.842 1.00 31.73 H +ATOM 1401 HD22 ASN D 97 -2.677 4.019 2.877 1.00 31.73 H +ATOM 1402 N SER D 98 -2.041 8.533 5.769 1.00 40.53 N +ATOM 1403 CA SER D 98 -2.936 9.436 6.483 1.00 33.10 C +ATOM 1404 C SER D 98 -2.256 10.294 7.543 1.00 41.05 C +ATOM 1405 O SER D 98 -2.862 11.261 8.015 1.00 42.73 O +ATOM 1406 CB SER D 98 -4.061 8.637 7.132 1.00 37.66 C +ATOM 1407 OG SER D 98 -5.216 8.682 6.332 1.00 37.73 O +ATOM 1408 H SER D 98 -1.631 7.977 6.281 1.00 48.67 H +ATOM 1409 HA SER D 98 -3.329 10.050 5.843 1.00 39.75 H +ATOM 1410 HB2 SER D 98 -3.779 7.714 7.232 1.00 45.23 H +ATOM 1411 HB3 SER D 98 -4.262 9.018 8.002 1.00 45.23 H +ATOM 1412 HG SER D 98 -5.842 8.264 6.706 1.00 45.31 H +ATOM 1413 N TYR D 99 -1.041 9.959 7.953 1.00 45.92 N +ATOM 1414 CA TYR D 99 -0.311 10.707 8.959 1.00 37.09 C +ATOM 1415 C TYR D 99 1.148 10.866 8.551 1.00 36.80 C +ATOM 1416 O TYR D 99 2.071 10.504 9.285 1.00 33.18 O +ATOM 1417 CB TYR D 99 -0.467 10.008 10.297 1.00 37.58 C +ATOM 1418 CG TYR D 99 -1.910 9.852 10.719 1.00 42.09 C +ATOM 1419 CD1 TYR D 99 -2.710 10.957 10.926 1.00 44.39 C +ATOM 1420 CD2 TYR D 99 -2.465 8.591 10.960 1.00 51.28 C +ATOM 1421 CE1 TYR D 99 -4.028 10.821 11.359 1.00 51.14 C +ATOM 1422 CE2 TYR D 99 -3.788 8.446 11.389 1.00 38.82 C +ATOM 1423 CZ TYR D 99 -4.558 9.565 11.591 1.00 48.28 C +ATOM 1424 OH TYR D 99 -5.865 9.442 12.016 1.00 58.81 O +ATOM 1425 H TYR D 99 -0.607 9.279 7.653 1.00 55.14 H +ATOM 1426 HA TYR D 99 -0.667 11.608 9.027 1.00 44.54 H +ATOM 1427 HB2 TYR D 99 -0.076 9.123 10.236 1.00 45.14 H +ATOM 1428 HB3 TYR D 99 -0.010 10.527 10.977 1.00 45.14 H +ATOM 1429 HD1 TYR D 99 -2.364 11.807 10.774 1.00 53.31 H +ATOM 1430 HD2 TYR D 99 -1.942 7.832 10.833 1.00 61.57 H +ATOM 1431 HE1 TYR D 99 -4.553 11.577 11.494 1.00 61.40 H +ATOM 1432 HE2 TYR D 99 -4.143 7.600 11.536 1.00 46.62 H +ATOM 1433 HH TYR D 99 -6.069 8.631 12.090 1.00 70.61 H +ATOM 1434 N GLU D 100 1.371 11.412 7.352 1.00 45.51 N +ATOM 1435 CA GLU D 100 2.741 11.578 6.866 1.00 45.41 C +ATOM 1436 C GLU D 100 3.627 12.289 7.879 1.00 43.75 C +ATOM 1437 O GLU D 100 4.780 11.888 8.084 1.00 43.01 O +ATOM 1438 CB GLU D 100 2.768 12.353 5.556 1.00 34.68 C +ATOM 1439 CG GLU D 100 1.519 12.229 4.760 1.00 43.90 C +ATOM 1440 CD GLU D 100 1.637 12.918 3.442 1.00 68.32 C +ATOM 1441 OE1 GLU D 100 1.655 14.167 3.424 1.00 76.93 O +ATOM 1442 OE2 GLU D 100 1.737 12.198 2.423 1.00 68.67 O1- +ATOM 1443 H GLU D 100 0.761 11.690 6.813 1.00 54.65 H +ATOM 1444 HA GLU D 100 3.096 10.689 6.709 1.00 54.53 H +ATOM 1445 HB2 GLU D 100 2.902 13.293 5.752 1.00 41.66 H +ATOM 1446 HB3 GLU D 100 3.499 12.020 5.012 1.00 41.66 H +ATOM 1447 HG2 GLU D 100 1.334 11.290 4.598 1.00 52.71 H +ATOM 1448 HG3 GLU D 100 0.786 12.632 5.250 1.00 52.71 H +ATOM 1449 N ASP D 101 3.089 13.312 8.562 1.00 36.54 N +ATOM 1450 CA ASP D 101 3.921 14.121 9.458 1.00 42.21 C +ATOM 1451 C ASP D 101 4.459 13.280 10.597 1.00 38.86 C +ATOM 1452 O ASP D 101 5.586 13.482 11.058 1.00 43.34 O +ATOM 1453 CB ASP D 101 3.125 15.293 10.047 1.00 48.03 C +ATOM 1454 CG ASP D 101 2.842 16.391 9.034 1.00 57.03 C +ATOM 1455 OD1 ASP D 101 1.664 16.811 8.939 1.00 50.71 O +ATOM 1456 OD2 ASP D 101 3.784 16.832 8.324 1.00 68.87 O1- +ATOM 1457 H ASP D 101 2.265 13.551 8.524 1.00 43.88 H +ATOM 1458 HA ASP D 101 4.653 14.480 8.934 1.00 50.69 H +ATOM 1459 HB2 ASP D 101 2.274 14.963 10.376 1.00 57.67 H +ATOM 1460 HB3 ASP D 101 3.633 15.683 10.777 1.00 57.67 H +ATOM 1461 N VAL D 102 3.658 12.352 11.087 1.00 38.62 N +ATOM 1462 CA VAL D 102 4.160 11.436 12.100 1.00 42.96 C +ATOM 1463 C VAL D 102 5.144 10.444 11.505 1.00 35.32 C +ATOM 1464 O VAL D 102 6.190 10.140 12.101 1.00 31.47 O +ATOM 1465 CB VAL D 102 2.984 10.715 12.782 1.00 39.81 C +ATOM 1466 CG1 VAL D 102 3.467 10.142 14.062 1.00 36.47 C +ATOM 1467 CG2 VAL D 102 1.808 11.674 12.995 1.00 45.13 C +ATOM 1468 H VAL D 102 2.838 12.231 10.859 1.00 46.38 H +ATOM 1469 HA VAL D 102 4.636 11.955 12.768 1.00 51.59 H +ATOM 1470 HB VAL D 102 2.653 9.997 12.221 1.00 47.81 H +ATOM 1471 HG11 VAL D 102 2.731 9.694 14.505 1.00 43.80 H +ATOM 1472 HG12 VAL D 102 4.177 9.507 13.876 1.00 43.80 H +ATOM 1473 HG13 VAL D 102 3.804 10.859 14.621 1.00 43.80 H +ATOM 1474 HG21 VAL D 102 1.160 11.253 13.582 1.00 54.20 H +ATOM 1475 HG22 VAL D 102 2.137 12.492 13.398 1.00 54.20 H +ATOM 1476 HG23 VAL D 102 1.400 11.867 12.137 1.00 54.20 H +ATOM 1477 N LEU D 103 4.836 9.917 10.321 1.00 38.93 N +ATOM 1478 CA LEU D 103 5.756 8.959 9.728 1.00 32.89 C +ATOM 1479 C LEU D 103 7.112 9.597 9.502 1.00 36.65 C +ATOM 1480 O LEU D 103 8.149 8.940 9.669 1.00 35.47 O +ATOM 1481 CB LEU D 103 5.204 8.403 8.430 1.00 37.83 C +ATOM 1482 CG LEU D 103 6.137 7.350 7.813 1.00 38.43 C +ATOM 1483 CD1 LEU D 103 6.400 6.192 8.777 1.00 46.19 C +ATOM 1484 CD2 LEU D 103 5.514 6.815 6.524 1.00 36.69 C +ATOM 1485 H LEU D 103 4.130 10.092 9.863 1.00 46.75 H +ATOM 1486 HA LEU D 103 5.858 8.211 10.337 1.00 39.51 H +ATOM 1487 HB2 LEU D 103 4.346 7.987 8.603 1.00 45.43 H +ATOM 1488 HB3 LEU D 103 5.101 9.128 7.793 1.00 45.43 H +ATOM 1489 HG LEU D 103 6.990 7.767 7.618 1.00 46.15 H +ATOM 1490 HD11 LEU D 103 6.672 5.412 8.267 1.00 55.47 H +ATOM 1491 HD12 LEU D 103 7.105 6.447 9.391 1.00 55.47 H +ATOM 1492 HD13 LEU D 103 5.587 5.999 9.269 1.00 55.47 H +ATOM 1493 HD21 LEU D 103 6.145 6.217 6.092 1.00 44.06 H +ATOM 1494 HD22 LEU D 103 4.701 6.333 6.741 1.00 44.06 H +ATOM 1495 HD23 LEU D 103 5.311 7.560 5.937 1.00 44.06 H +ATOM 1496 N LYS D 104 7.121 10.854 9.042 1.00 37.98 N +ATOM 1497 CA LYS D 104 8.382 11.558 8.828 1.00 38.79 C +ATOM 1498 C LYS D 104 9.143 11.698 10.145 1.00 43.65 C +ATOM 1499 O LYS D 104 10.347 11.419 10.218 1.00 49.90 O +ATOM 1500 CB LYS D 104 8.127 12.933 8.197 1.00 40.65 C +ATOM 1501 CG LYS D 104 9.304 13.494 7.392 1.00 42.79 C +ATOM 1502 CD LYS D 104 8.948 14.780 6.622 1.00 44.82 C +ATOM 1503 CE LYS D 104 10.076 15.144 5.643 1.00 46.68 C +ATOM 1504 NZ LYS D 104 10.109 16.589 5.299 1.00 58.63 N1+ +ATOM 1505 H LYS D 104 6.420 11.313 8.849 1.00 45.61 H +ATOM 1506 HA LYS D 104 8.928 11.050 8.208 1.00 46.58 H +ATOM 1507 HB2 LYS D 104 7.370 12.860 7.595 1.00 48.82 H +ATOM 1508 HB3 LYS D 104 7.928 13.565 8.904 1.00 48.82 H +ATOM 1509 HG2 LYS D 104 10.031 13.702 7.999 1.00 51.38 H +ATOM 1510 HG3 LYS D 104 9.592 12.829 6.746 1.00 51.38 H +ATOM 1511 HD2 LYS D 104 8.132 14.641 6.116 1.00 53.82 H +ATOM 1512 HD3 LYS D 104 8.831 15.512 7.246 1.00 53.82 H +ATOM 1513 HE2 LYS D 104 10.928 14.914 6.047 1.00 56.06 H +ATOM 1514 HE3 LYS D 104 9.952 14.644 4.822 1.00 56.06 H +ATOM 1515 HZ1 LYS D 104 10.809 16.760 4.776 1.00 70.39 H +ATOM 1516 HZ2 LYS D 104 9.364 16.816 4.867 1.00 70.39 H +ATOM 1517 HZ3 LYS D 104 10.174 17.077 6.039 1.00 70.39 H +ATOM 1518 N GLU D 105 8.453 12.097 11.214 1.00 39.38 N +ATOM 1519 CA GLU D 105 9.130 12.182 12.502 1.00 43.18 C +ATOM 1520 C GLU D 105 9.648 10.816 12.917 1.00 39.98 C +ATOM 1521 O GLU D 105 10.791 10.689 13.372 1.00 38.80 O +ATOM 1522 CB GLU D 105 8.182 12.758 13.556 1.00 50.69 C +ATOM 1523 CG GLU D 105 8.844 13.480 14.748 1.00 50.95 C +ATOM 1524 CD GLU D 105 10.024 14.385 14.382 1.00 58.72 C +ATOM 1525 OE1 GLU D 105 9.995 15.083 13.324 1.00 45.60 O +ATOM 1526 OE2 GLU D 105 10.986 14.400 15.195 1.00 62.31 O1- +ATOM 1527 H GLU D 105 7.621 12.315 11.217 1.00 47.29 H +ATOM 1528 HA GLU D 105 9.885 12.786 12.435 1.00 51.86 H +ATOM 1529 HB2 GLU D 105 7.601 13.400 13.121 1.00 60.87 H +ATOM 1530 HB3 GLU D 105 7.657 12.029 13.920 1.00 60.87 H +ATOM 1531 HG2 GLU D 105 8.176 14.034 15.181 1.00 61.17 H +ATOM 1532 HG3 GLU D 105 9.173 12.810 15.368 1.00 61.17 H +ATOM 1533 N LYS D 106 8.833 9.774 12.745 1.00 32.35 N +ATOM 1534 CA LYS D 106 9.326 8.440 13.051 1.00 34.32 C +ATOM 1535 C LYS D 106 10.583 8.140 12.262 1.00 31.57 C +ATOM 1536 O LYS D 106 11.551 7.584 12.798 1.00 28.40 O +ATOM 1537 CB LYS D 106 8.260 7.394 12.759 1.00 37.52 C +ATOM 1538 CG LYS D 106 8.726 5.974 13.022 1.00 37.11 C +ATOM 1539 CD LYS D 106 7.556 5.022 12.905 1.00 34.70 C +ATOM 1540 CE LYS D 106 6.823 4.993 14.218 1.00 32.33 C +ATOM 1541 NZ LYS D 106 7.575 4.239 15.274 1.00 41.07 N1+ +ATOM 1542 H LYS D 106 8.022 9.815 12.462 1.00 38.85 H +ATOM 1543 HA LYS D 106 9.531 8.395 13.998 1.00 41.22 H +ATOM 1544 HB2 LYS D 106 7.490 7.564 13.323 1.00 45.05 H +ATOM 1545 HB3 LYS D 106 8.007 7.457 11.825 1.00 45.05 H +ATOM 1546 HG2 LYS D 106 9.399 5.724 12.370 1.00 44.56 H +ATOM 1547 HG3 LYS D 106 9.093 5.910 13.917 1.00 44.56 H +ATOM 1548 HD2 LYS D 106 6.950 5.326 12.211 1.00 41.68 H +ATOM 1549 HD3 LYS D 106 7.873 4.129 12.700 1.00 41.68 H +ATOM 1550 HE2 LYS D 106 6.695 5.902 14.531 1.00 38.84 H +ATOM 1551 HE3 LYS D 106 5.963 4.561 14.093 1.00 38.84 H +ATOM 1552 HZ1 LYS D 106 7.095 4.204 16.023 1.00 49.32 H +ATOM 1553 HZ2 LYS D 106 7.739 3.409 14.996 1.00 49.32 H +ATOM 1554 HZ3 LYS D 106 8.348 4.645 15.445 1.00 49.32 H +ATOM 1555 N VAL D 107 10.562 8.482 10.966 1.00 44.83 N +ATOM 1556 CA VAL D 107 11.690 8.269 10.050 1.00 36.50 C +ATOM 1557 C VAL D 107 12.959 8.974 10.522 1.00 36.18 C +ATOM 1558 O VAL D 107 14.058 8.421 10.442 1.00 31.64 O +ATOM 1559 CB VAL D 107 11.294 8.746 8.647 1.00 34.63 C +ATOM 1560 CG1 VAL D 107 12.520 8.856 7.790 1.00 41.77 C +ATOM 1561 CG2 VAL D 107 10.240 7.829 8.052 1.00 40.35 C +ATOM 1562 H VAL D 107 9.886 8.851 10.580 1.00 53.83 H +ATOM 1563 HA VAL D 107 11.885 7.319 10.035 1.00 43.83 H +ATOM 1564 HB VAL D 107 10.892 9.627 8.692 1.00 41.59 H +ATOM 1565 HG11 VAL D 107 12.255 8.861 6.858 1.00 50.16 H +ATOM 1566 HG12 VAL D 107 12.984 9.679 8.008 1.00 50.16 H +ATOM 1567 HG13 VAL D 107 13.098 8.095 7.966 1.00 50.16 H +ATOM 1568 HG21 VAL D 107 9.766 8.305 7.352 1.00 48.46 H +ATOM 1569 HG22 VAL D 107 10.676 7.045 7.680 1.00 48.46 H +ATOM 1570 HG23 VAL D 107 9.620 7.563 8.750 1.00 48.46 H +ATOM 1571 N GLN D 108 12.837 10.216 10.995 1.00 40.14 N +ATOM 1572 CA GLN D 108 14.011 10.919 11.504 1.00 37.75 C +ATOM 1573 C GLN D 108 14.573 10.262 12.752 1.00 34.03 C +ATOM 1574 O GLN D 108 15.795 10.204 12.912 1.00 43.60 O +ATOM 1575 CB GLN D 108 13.674 12.376 11.757 1.00 41.69 C +ATOM 1576 CG GLN D 108 13.824 13.180 10.477 1.00 45.34 C +ATOM 1577 CD GLN D 108 12.703 14.169 10.289 1.00 50.12 C +ATOM 1578 NE2 GLN D 108 12.352 14.436 9.040 1.00 40.83 N +ATOM 1579 OE1 GLN D 108 12.120 14.659 11.271 1.00 67.64 O +ATOM 1580 H GLN D 108 12.103 10.664 11.030 1.00 48.20 H +ATOM 1581 HA GLN D 108 14.707 10.892 10.829 1.00 45.34 H +ATOM 1582 HB2 GLN D 108 12.758 12.448 12.066 1.00 50.06 H +ATOM 1583 HB3 GLN D 108 14.278 12.738 12.424 1.00 50.06 H +ATOM 1584 HG2 GLN D 108 14.659 13.673 10.507 1.00 54.44 H +ATOM 1585 HG3 GLN D 108 13.822 12.575 9.719 1.00 54.44 H +ATOM 1586 HE21 GLN D 108 12.758 14.051 8.387 1.00 49.03 H +ATOM 1587 HE22 GLN D 108 11.717 14.995 8.881 1.00 49.03 H +ATOM 1588 N HIS D 109 13.719 9.746 13.636 1.00 39.99 N +ATOM 1589 CA HIS D 109 14.223 8.946 14.755 1.00 42.09 C +ATOM 1590 C HIS D 109 15.193 7.879 14.277 1.00 47.11 C +ATOM 1591 O HIS D 109 16.191 7.580 14.943 1.00 51.50 O +ATOM 1592 CB HIS D 109 13.062 8.276 15.461 1.00 46.26 C +ATOM 1593 CG HIS D 109 12.330 9.185 16.366 1.00 36.45 C +ATOM 1594 CD2 HIS D 109 11.879 9.022 17.623 1.00 44.23 C +ATOM 1595 ND1 HIS D 109 11.997 10.465 15.996 1.00 54.73 N +ATOM 1596 CE1 HIS D 109 11.389 11.066 16.997 1.00 51.55 C +ATOM 1597 NE2 HIS D 109 11.298 10.209 17.995 1.00 54.84 N +ATOM 1598 H HIS D 109 12.863 9.841 13.612 1.00 48.02 H +ATOM 1599 HA HIS D 109 14.682 9.535 15.374 1.00 50.55 H +ATOM 1600 HB2 HIS D 109 12.437 7.949 14.797 1.00 55.55 H +ATOM 1601 HB3 HIS D 109 13.401 7.538 15.991 1.00 55.55 H +ATOM 1602 HD2 HIS D 109 11.947 8.252 18.141 1.00 53.12 H +ATOM 1603 HE1 HIS D 109 11.077 11.942 16.999 1.00 61.89 H +ATOM 1604 HE2 HIS D 109 10.934 10.369 18.758 1.00 65.84 H +ATOM 1605 N LYS D 110 14.894 7.275 13.133 1.00 40.95 N +ATOM 1606 CA LYS D 110 15.705 6.190 12.608 1.00 45.07 C +ATOM 1607 C LYS D 110 16.971 6.724 11.968 1.00 39.36 C +ATOM 1608 O LYS D 110 18.050 6.118 12.086 1.00 38.19 O +ATOM 1609 CB LYS D 110 14.866 5.402 11.618 1.00 42.56 C +ATOM 1610 CG LYS D 110 13.458 5.183 12.149 1.00 46.81 C +ATOM 1611 CD LYS D 110 13.435 4.112 13.252 1.00 45.17 C +ATOM 1612 CE LYS D 110 11.992 3.703 13.599 1.00 55.86 C +ATOM 1613 NZ LYS D 110 11.854 2.421 14.359 1.00 56.93 N1+ +ATOM 1614 H LYS D 110 14.222 7.479 12.636 1.00 49.17 H +ATOM 1615 HA LYS D 110 15.976 5.587 13.319 1.00 54.12 H +ATOM 1616 HB2 LYS D 110 14.807 5.892 10.784 1.00 51.11 H +ATOM 1617 HB3 LYS D 110 15.275 4.536 11.467 1.00 51.11 H +ATOM 1618 HG2 LYS D 110 13.122 6.013 12.522 1.00 56.20 H +ATOM 1619 HG3 LYS D 110 12.882 4.889 11.425 1.00 56.20 H +ATOM 1620 HD2 LYS D 110 13.913 3.325 12.947 1.00 54.23 H +ATOM 1621 HD3 LYS D 110 13.855 4.465 14.053 1.00 54.23 H +ATOM 1622 HE2 LYS D 110 11.596 4.404 14.141 1.00 67.06 H +ATOM 1623 HE3 LYS D 110 11.495 3.602 12.771 1.00 67.06 H +ATOM 1624 HZ1 LYS D 110 11.007 2.302 14.605 1.00 68.35 H +ATOM 1625 HZ2 LYS D 110 12.106 1.735 13.851 1.00 68.35 H +ATOM 1626 HZ3 LYS D 110 12.365 2.443 15.088 1.00 68.35 H +ATOM 1627 N VAL D 111 16.856 7.871 11.307 1.00 43.14 N +ATOM 1628 CA VAL D 111 18.032 8.497 10.718 1.00 45.44 C +ATOM 1629 C VAL D 111 19.028 8.877 11.800 1.00 51.04 C +ATOM 1630 O VAL D 111 20.245 8.703 11.636 1.00 51.90 O +ATOM 1631 CB VAL D 111 17.614 9.725 9.895 1.00 48.84 C +ATOM 1632 CG1 VAL D 111 18.777 10.654 9.807 1.00 51.09 C +ATOM 1633 CG2 VAL D 111 17.138 9.316 8.475 1.00 49.23 C +ATOM 1634 H VAL D 111 16.120 8.300 11.188 1.00 51.81 H +ATOM 1635 HA VAL D 111 18.458 7.858 10.125 1.00 54.56 H +ATOM 1636 HB VAL D 111 16.868 10.170 10.329 1.00 58.64 H +ATOM 1637 HG11 VAL D 111 18.628 11.279 9.081 1.00 61.34 H +ATOM 1638 HG12 VAL D 111 18.861 11.134 10.646 1.00 61.34 H +ATOM 1639 HG13 VAL D 111 19.581 10.138 9.640 1.00 61.34 H +ATOM 1640 HG21 VAL D 111 17.252 10.070 7.874 1.00 59.12 H +ATOM 1641 HG22 VAL D 111 17.669 8.565 8.168 1.00 59.12 H +ATOM 1642 HG23 VAL D 111 16.202 9.065 8.516 1.00 59.12 H +ATOM 1643 N ALA D 112 18.517 9.369 12.935 1.00 48.79 N +ATOM 1644 CA ALA D 112 19.378 9.770 14.039 1.00 49.86 C +ATOM 1645 C ALA D 112 20.170 8.595 14.599 1.00 52.32 C +ATOM 1646 O ALA D 112 21.238 8.792 15.192 1.00 53.46 O +ATOM 1647 CB ALA D 112 18.528 10.421 15.135 1.00 55.15 C +ATOM 1648 H ALA D 112 17.677 9.478 13.087 1.00 58.59 H +ATOM 1649 HA ALA D 112 20.020 10.423 13.721 1.00 59.87 H +ATOM 1650 HB1 ALA D 112 19.105 10.677 15.872 1.00 66.21 H +ATOM 1651 HB2 ALA D 112 18.090 11.206 14.771 1.00 66.21 H +ATOM 1652 HB3 ALA D 112 17.864 9.784 15.440 1.00 66.21 H +ATOM 1653 N ALA D 113 19.669 7.378 14.423 1.00 55.21 N +ATOM 1654 CA ALA D 113 20.390 6.159 14.756 1.00 55.23 C +ATOM 1655 C ALA D 113 21.219 5.653 13.571 1.00 49.06 C +ATOM 1656 O ALA D 113 21.736 4.526 13.601 1.00 45.71 O +ATOM 1657 CB ALA D 113 19.401 5.092 15.240 1.00 52.37 C +ATOM 1658 H ALA D 113 18.886 7.228 14.101 1.00 66.29 H +ATOM 1659 HA ALA D 113 21.003 6.325 15.489 1.00 66.31 H +ATOM 1660 HB1 ALA D 113 19.896 4.306 15.516 1.00 62.88 H +ATOM 1661 HB2 ALA D 113 18.896 5.446 15.988 1.00 62.88 H +ATOM 1662 HB3 ALA D 113 18.800 4.866 14.512 1.00 62.88 H +ATOM 1663 N GLY D 114 21.346 6.457 12.523 1.00 57.74 N +ATOM 1664 CA GLY D 114 22.171 6.036 11.413 1.00 60.88 C +ATOM 1665 C GLY D 114 21.589 4.889 10.619 1.00 67.06 C +ATOM 1666 O GLY D 114 22.309 4.272 9.826 1.00 67.63 O +ATOM 1667 H GLY D 114 20.974 7.227 12.436 1.00 69.32 H +ATOM 1668 HA2 GLY D 114 22.293 6.787 10.810 1.00 73.09 H +ATOM 1669 HA3 GLY D 114 23.037 5.759 11.751 1.00 73.09 H +ATOM 1670 N LEU D 115 20.291 4.601 10.785 1.00 60.45 N +ATOM 1671 CA LEU D 115 19.736 3.388 10.200 1.00 48.33 C +ATOM 1672 C LEU D 115 19.594 3.460 8.704 1.00 58.54 C +ATOM 1673 O LEU D 115 19.224 2.439 8.109 1.00 68.15 O +ATOM 1674 CB LEU D 115 18.351 3.085 10.765 1.00 43.72 C +ATOM 1675 CG LEU D 115 18.393 2.248 12.057 1.00 52.91 C +ATOM 1676 CD1 LEU D 115 17.122 2.347 12.905 1.00 43.11 C +ATOM 1677 CD2 LEU D 115 18.686 0.785 11.821 1.00 38.85 C +ATOM 1678 H LEU D 115 19.729 5.083 11.223 1.00 72.58 H +ATOM 1679 HA LEU D 115 20.341 2.668 10.437 1.00 58.03 H +ATOM 1680 HB2 LEU D 115 17.903 3.921 10.965 1.00 52.50 H +ATOM 1681 HB3 LEU D 115 17.846 2.587 10.104 1.00 52.50 H +ATOM 1682 HG LEU D 115 19.128 2.641 12.556 1.00 63.53 H +ATOM 1683 HD11 LEU D 115 17.197 1.741 13.658 1.00 51.77 H +ATOM 1684 HD12 LEU D 115 17.024 3.259 13.223 1.00 51.77 H +ATOM 1685 HD13 LEU D 115 16.359 2.103 12.359 1.00 51.77 H +ATOM 1686 HD21 LEU D 115 18.639 0.313 12.668 1.00 46.65 H +ATOM 1687 HD22 LEU D 115 18.029 0.427 11.206 1.00 46.65 H +ATOM 1688 HD23 LEU D 115 19.576 0.698 11.444 1.00 46.65 H +ATOM 1689 N ASN D 116 19.906 4.593 8.071 1.00 55.43 N +ATOM 1690 CA ASN D 116 19.944 4.674 6.616 1.00 58.44 C +ATOM 1691 C ASN D 116 21.351 4.537 6.072 1.00 63.25 C +ATOM 1692 O ASN D 116 21.575 4.852 4.901 1.00 64.16 O +ATOM 1693 CB ASN D 116 19.342 5.980 6.102 1.00 64.20 C +ATOM 1694 CG ASN D 116 19.687 7.157 6.961 1.00 58.57 C +ATOM 1695 ND2 ASN D 116 19.330 8.327 6.492 1.00 49.95 N +ATOM 1696 OD1 ASN D 116 20.280 7.022 8.036 1.00 71.76 O +ATOM 1697 H ASN D 116 20.102 5.331 8.468 1.00 66.56 H +ATOM 1698 HA ASN D 116 19.393 3.950 6.276 1.00 70.16 H +ATOM 1699 HB2 ASN D 116 19.679 6.153 5.208 1.00 77.07 H +ATOM 1700 HB3 ASN D 116 18.376 5.897 6.083 1.00 77.07 H +ATOM 1701 HD21 ASN D 116 18.924 8.382 5.736 1.00 59.98 H +ATOM 1702 HD22 ASN D 116 19.501 9.041 6.940 1.00 59.98 H +ATOM 1703 N LYS D 117 22.303 4.099 6.899 1.00 74.45 N +ATOM 1704 CA LYS D 117 23.711 4.055 6.509 1.00 77.24 C +ATOM 1705 C LYS D 117 24.359 2.673 6.591 1.00 74.92 C +ATOM 1706 O LYS D 117 23.818 1.753 7.195 1.00 77.35 O +ATOM 1707 CB LYS D 117 24.505 5.035 7.403 1.00 72.33 C +ATOM 1708 CG LYS D 117 25.855 5.471 6.854 1.00 84.77 C +ATOM 1709 CD LYS D 117 27.006 4.996 7.738 1.00 79.98 C +ATOM 1710 CE LYS D 117 28.288 4.848 6.927 1.00 72.50 C +ATOM 1711 NZ LYS D 117 29.402 4.261 7.719 1.00 70.76 N1+ +ATOM 1712 H LYS D 117 22.156 3.820 7.699 1.00 89.38 H +ATOM 1713 HA LYS D 117 23.759 4.308 5.574 1.00 92.72 H +ATOM 1714 HB2 LYS D 117 23.971 5.836 7.528 1.00 86.83 H +ATOM 1715 HB3 LYS D 117 24.666 4.607 8.260 1.00 86.83 H +ATOM 1716 HG2 LYS D 117 25.977 5.095 5.968 1.00101.76 H +ATOM 1717 HG3 LYS D 117 25.886 6.440 6.810 1.00101.76 H +ATOM 1718 HD2 LYS D 117 27.161 5.644 8.442 1.00 96.01 H +ATOM 1719 HD3 LYS D 117 26.784 4.134 8.122 1.00 96.01 H +ATOM 1720 HE2 LYS D 117 28.118 4.266 6.170 1.00 87.03 H +ATOM 1721 HE3 LYS D 117 28.569 5.723 6.616 1.00 87.03 H +ATOM 1722 HZ1 LYS D 117 30.142 4.229 7.225 1.00 84.94 H +ATOM 1723 HZ2 LYS D 117 29.559 4.759 8.439 1.00 84.94 H +ATOM 1724 HZ3 LYS D 117 29.191 3.436 7.977 1.00 84.94 H +TER +ATOM 1725 N AASP H 116 16.397 3.778 -7.941 0.48 44.21 N +ATOM 1726 N BASP H 116 15.377 3.888 -10.042 0.52 54.11 N +ATOM 1727 CA AASP H 116 15.293 3.352 -8.800 0.48 51.36 C +ATOM 1728 CA BASP H 116 15.601 3.239 -8.754 0.52 51.40 C +ATOM 1729 C AASP H 116 14.276 2.554 -7.988 0.48 54.17 C +ATOM 1730 C BASP H 116 14.320 2.516 -8.336 0.52 54.28 C +ATOM 1731 O AASP H 116 13.350 3.094 -7.384 0.48 57.46 O +ATOM 1732 O BASP H 116 13.227 3.080 -8.392 0.52 57.19 O +ATOM 1733 CB AASP H 116 15.788 2.476 -9.969 0.48 48.12 C +ATOM 1734 CB BASP H 116 16.056 4.251 -7.705 0.52 45.64 C +ATOM 1735 CG AASP H 116 16.319 3.280 -11.142 0.48 47.42 C +ATOM 1736 CG BASP H 116 17.284 3.777 -6.957 0.52 45.74 C +ATOM 1737 OD1AASP H 116 15.908 4.443 -11.355 0.48 44.52 O +ATOM 1738 OD1BASP H 116 17.220 2.677 -6.369 0.52 51.23 O +ATOM 1739 OD2AASP H 116 17.191 2.735 -11.847 0.48 53.19 O1- +ATOM 1740 OD2BASP H 116 18.327 4.473 -6.994 0.52 38.93 O1- +ATOM 1741 HA AASP H 116 14.874 4.142 -9.174 0.48 61.66 H +ATOM 1742 HA BASP H 116 16.316 2.586 -8.814 0.52 61.72 H +ATOM 1743 HB2AASP H 116 16.505 1.904 -9.651 0.48 57.77 H +ATOM 1744 HB2BASP H 116 16.272 5.088 -8.144 0.52 54.81 H +ATOM 1745 HB3AASP H 116 15.050 1.935 -10.290 0.48 57.77 H +ATOM 1746 HB3BASP H 116 15.343 4.387 -7.063 0.52 54.81 H +ATOM 1747 N GLU H 117 14.479 1.247 -7.967 1.00 58.10 N +ATOM 1748 CA AGLU H 117 13.472 0.299 -7.525 0.50 52.02 C +ATOM 1749 CA BGLU H 117 13.433 0.349 -7.515 0.50 51.75 C +ATOM 1750 C GLU H 117 13.589 0.093 -6.021 1.00 49.02 C +ATOM 1751 O GLU H 117 14.609 0.412 -5.415 1.00 48.26 O +ATOM 1752 CB AGLU H 117 13.662 -1.024 -8.277 0.50 48.27 C +ATOM 1753 CB BGLU H 117 13.521 -0.976 -8.275 0.50 48.35 C +ATOM 1754 CG AGLU H 117 14.795 -1.877 -7.724 0.50 50.18 C +ATOM 1755 CG BGLU H 117 12.319 -1.346 -9.080 0.50 46.56 C +ATOM 1756 CD AGLU H 117 16.150 -1.219 -7.841 0.50 48.32 C +ATOM 1757 CD BGLU H 117 12.691 -2.307 -10.177 0.50 59.29 C +ATOM 1758 OE1AGLU H 117 16.396 -0.527 -8.859 0.50 49.52 O +ATOM 1759 OE1BGLU H 117 13.175 -3.408 -9.837 0.50 63.84 O +ATOM 1760 OE2AGLU H 117 16.941 -1.361 -6.876 0.50 42.83 O1- +ATOM 1761 OE2BGLU H 117 12.520 -1.964 -11.368 0.50 61.65 O1- +ATOM 1762 H AGLU H 117 15.214 0.872 -8.212 0.48 69.75 H +ATOM 1763 H BGLU H 117 15.245 0.857 -7.974 0.52 69.75 H +ATOM 1764 HA AGLU H 117 12.578 0.627 -7.709 0.50 62.45 H +ATOM 1765 HA BGLU H 117 12.560 0.745 -7.670 0.50 62.13 H +ATOM 1766 HB2AGLU H 117 12.842 -1.541 -8.213 0.50 57.96 H +ATOM 1767 HB2BGLU H 117 14.272 -0.925 -8.888 0.50 58.05 H +ATOM 1768 HB3AGLU H 117 13.861 -0.831 -9.207 0.50 57.96 H +ATOM 1769 HB3BGLU H 117 13.665 -1.686 -7.631 0.50 58.05 H +ATOM 1770 HG2AGLU H 117 14.629 -2.049 -6.784 0.50 60.25 H +ATOM 1771 HG2BGLU H 117 11.663 -1.770 -8.506 0.50 55.91 H +ATOM 1772 HG3AGLU H 117 14.828 -2.713 -8.214 0.50 60.25 H +ATOM 1773 HG3BGLU H 117 11.940 -0.549 -9.483 0.50 55.91 H +ATOM 1774 N PHE H 118 12.545 -0.471 -5.423 1.00 45.57 N +ATOM 1775 CA PHE H 118 12.617 -0.917 -4.040 1.00 42.29 C +ATOM 1776 C PHE H 118 12.676 -2.438 -4.042 1.00 41.59 C +ATOM 1777 O PHE H 118 11.789 -3.085 -4.619 1.00 35.68 O +ATOM 1778 CB PHE H 118 11.425 -0.460 -3.206 1.00 38.68 C +ATOM 1779 CG PHE H 118 11.359 -1.149 -1.870 1.00 38.73 C +ATOM 1780 CD1 PHE H 118 12.380 -0.978 -0.935 1.00 37.01 C +ATOM 1781 CD2 PHE H 118 10.333 -2.018 -1.570 1.00 35.71 C +ATOM 1782 CE1 PHE H 118 12.357 -1.651 0.287 1.00 37.64 C +ATOM 1783 CE2 PHE H 118 10.316 -2.686 -0.362 1.00 39.28 C +ATOM 1784 CZ PHE H 118 11.327 -2.493 0.575 1.00 34.41 C +ATOM 1785 H PHE H 118 11.784 -0.603 -5.800 1.00 54.72 H +ATOM 1786 HA PHE H 118 13.413 -0.542 -3.632 1.00 50.79 H +ATOM 1787 HB2 PHE H 118 11.495 0.494 -3.049 1.00 46.45 H +ATOM 1788 HB3 PHE H 118 10.606 -0.659 -3.687 1.00 46.45 H +ATOM 1789 HD1 PHE H 118 13.087 -0.406 -1.128 1.00 44.45 H +ATOM 1790 HD2 PHE H 118 9.649 -2.155 -2.185 1.00 42.88 H +ATOM 1791 HE1 PHE H 118 13.043 -1.525 0.902 1.00 45.20 H +ATOM 1792 HE2 PHE H 118 9.620 -3.273 -0.172 1.00 47.18 H +ATOM 1793 HZ PHE H 118 11.300 -2.936 1.393 1.00 41.32 H +ATOM 1794 N ILE H 119 13.664 -3.014 -3.342 1.00 32.50 N +ATOM 1795 CA ILE H 119 13.788 -4.472 -3.250 1.00 39.48 C +ATOM 1796 C ILE H 119 13.887 -4.865 -1.789 1.00 46.08 C +ATOM 1797 O ILE H 119 14.848 -4.495 -1.101 1.00 49.65 O +ATOM 1798 CB ILE H 119 15.006 -5.026 -4.022 1.00 48.18 C +ATOM 1799 CG1 ILE H 119 15.112 -4.389 -5.414 1.00 46.96 C +ATOM 1800 CG2 ILE H 119 14.944 -6.552 -4.161 1.00 51.91 C +ATOM 1801 CD1 ILE H 119 13.976 -4.797 -6.317 1.00 57.25 C +ATOM 1802 HA ILE H 119 12.981 -4.859 -3.625 1.00 47.41 H +ATOM 1803 HB ILE H 119 15.792 -4.794 -3.503 1.00 57.85 H +ATOM 1804 HG12 ILE H 119 15.096 -3.423 -5.322 1.00 56.39 H +ATOM 1805 HG13 ILE H 119 15.944 -4.669 -5.827 1.00 56.39 H +ATOM 1806 HG21 ILE H 119 15.683 -6.849 -4.714 1.00 62.33 H +ATOM 1807 HG22 ILE H 119 15.007 -6.952 -3.281 1.00 62.33 H +ATOM 1808 HG23 ILE H 119 14.101 -6.797 -4.576 1.00 62.33 H +ATOM 1809 HD11 ILE H 119 14.108 -4.397 -7.190 1.00 68.74 H +ATOM 1810 HD12 ILE H 119 13.965 -5.764 -6.394 1.00 68.74 H +ATOM 1811 HD13 ILE H 119 13.141 -4.486 -5.933 1.00 68.74 H +ATOM 1812 N TYR H 120 12.942 -5.701 -1.347 1.00 41.21 N +ATOM 1813 CA TYR H 120 12.953 -6.180 0.017 1.00 42.79 C +ATOM 1814 C TYR H 120 13.796 -7.434 0.105 1.00 42.26 C +ATOM 1815 O TYR H 120 13.538 -8.392 -0.631 1.00 43.41 O +ATOM 1816 CB TYR H 120 11.546 -6.489 0.480 1.00 42.06 C +ATOM 1817 CG TYR H 120 11.564 -6.982 1.891 1.00 50.51 C +ATOM 1818 CD1 TYR H 120 11.625 -6.092 2.960 1.00 37.30 C +ATOM 1819 CD2 TYR H 120 11.572 -8.341 2.163 1.00 40.62 C +ATOM 1820 CE1 TYR H 120 11.666 -6.549 4.237 1.00 33.97 C +ATOM 1821 CE2 TYR H 120 11.601 -8.788 3.440 1.00 45.02 C +ATOM 1822 CZ TYR H 120 11.640 -7.894 4.468 1.00 34.07 C +ATOM 1823 OH TYR H 120 11.681 -8.398 5.740 1.00 39.48 O +ATOM 1824 H TYR H 120 12.291 -5.999 -1.823 1.00 49.49 H +ATOM 1825 HA TYR H 120 13.329 -5.505 0.603 1.00 51.39 H +ATOM 1826 HB2 TYR H 120 11.005 -5.684 0.439 1.00 50.51 H +ATOM 1827 HB3 TYR H 120 11.161 -7.177 -0.085 1.00 50.51 H +ATOM 1828 HD1 TYR H 120 11.637 -5.177 2.796 1.00 44.80 H +ATOM 1829 HD2 TYR H 120 11.555 -8.950 1.461 1.00 48.78 H +ATOM 1830 HE1 TYR H 120 11.711 -5.950 4.947 1.00 40.80 H +ATOM 1831 HE2 TYR H 120 11.595 -9.701 3.615 1.00 54.07 H +ATOM 1832 HH TYR H 120 12.023 -7.835 6.261 1.00 47.41 H +ATOM 1833 N PRO H 121 14.780 -7.473 0.999 1.00 44.20 N +ATOM 1834 CA PRO H 121 15.592 -8.689 1.173 1.00 49.90 C +ATOM 1835 C PRO H 121 14.778 -9.981 1.222 1.00 52.73 C +ATOM 1836 O PRO H 121 14.413 -10.523 2.278 1.00 49.67 O +ATOM 1837 CB PRO H 121 16.367 -8.393 2.465 1.00 61.47 C +ATOM 1838 CG PRO H 121 16.536 -6.884 2.418 1.00 48.70 C +ATOM 1839 CD PRO H 121 15.189 -6.405 1.929 1.00 49.83 C +ATOM 1840 HA PRO H 121 16.223 -8.785 0.443 1.00 59.91 H +ATOM 1841 HB2 PRO H 121 15.852 -8.668 3.240 1.00 73.80 H +ATOM 1842 HB3 PRO H 121 17.224 -8.845 2.458 1.00 73.80 H +ATOM 1843 HG2 PRO H 121 16.733 -6.538 3.302 1.00 58.47 H +ATOM 1844 HG3 PRO H 121 17.243 -6.641 1.801 1.00 58.47 H +ATOM 1845 HD2 PRO H 121 14.560 -6.325 2.663 1.00 59.84 H +ATOM 1846 HD3 PRO H 121 15.268 -5.556 1.466 1.00 59.84 H +ATOM 1847 N ASN H 122 14.457 -10.379 -0.024 1.00 55.66 N +ATOM 1848 CA ASN H 122 14.219 -11.736 -0.579 1.00 56.12 C +ATOM 1849 C ASN H 122 12.721 -12.111 -0.740 1.00 47.73 C +ATOM 1850 O ASN H 122 11.968 -11.430 -1.442 1.00 45.63 O +ATOM 1851 CB ASN H 122 14.859 -12.876 0.251 1.00 59.00 C +ATOM 1852 CG ASN H 122 15.352 -14.080 -0.661 1.00 87.36 C +ATOM 1853 ND2 ASN H 122 16.478 -14.717 -0.290 1.00 70.26 N +ATOM 1854 OD1 ASN H 122 14.680 -14.452 -1.634 1.00 96.12 O +ATOM 1855 H ASN H 122 14.357 -9.807 -0.659 1.00 66.82 H +ATOM 1856 HA ASN H 122 14.641 -11.688 -1.450 1.00 67.38 H +ATOM 1857 HB2 ASN H 122 15.627 -12.527 0.731 1.00 70.84 H +ATOM 1858 HB3 ASN H 122 14.204 -13.221 0.878 1.00 70.84 H +ATOM 1859 HD21 ASN H 122 16.776 -15.374 -0.759 1.00 84.34 H +ATOM 1860 HD22 ASN H 122 16.901 -14.468 0.417 1.00 84.34 H +TER +END diff --git a/assays/S2_A1_Structural analysis of MLLE3 of Rrm4/isa.assay.xlsx b/assays/S2_A1_Structural analysis of MLLE3 of Rrm4/isa.assay.xlsx new file mode 100644 index 0000000000000000000000000000000000000000..828449fa334923ace132ca53ff2bf4a30900a9bf Binary files /dev/null and b/assays/S2_A1_Structural analysis of MLLE3 of Rrm4/isa.assay.xlsx differ diff --git a/assays/S2_A1_Structural analysis of MLLE3 of Rrm4/protocols/.gitkeep b/assays/S2_A1_Structural analysis of MLLE3 of Rrm4/protocols/.gitkeep new file mode 100644 index 0000000000000000000000000000000000000000..e69de29bb2d1d6434b8b29ae775ad8c2e48c5391 diff --git a/assays/S2_A2_Western blot analysis of GST pull-down experiments with MLLE3 variants/README.md b/assays/S2_A2_Western blot analysis of GST pull-down experiments with MLLE3 variants/README.md new file mode 100644 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