Browse entries in the PDBbind-CN Database
HEADER 4K0U_COMPLEX COMPND 4K0U_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 95 VAL PRO ALA ASN GLU GLN ILE SER GLN LEU ALA SER LEU SEQRES 2 A 95 VAL ALA ALA SER LYS TYR LEU ARG VAL GLN CYS GLU ARG SEQRES 3 A 95 SER ASP LEU PRO ASP ASP GLY THR ILE LEU LYS THR ALA SEQRES 4 A 95 VAL ASN VAL ALA VAL GLN LYS GLY TRP ASP THR GLY ARG SEQRES 5 A 95 TYR GLN SER LEU PRO GLN LEU SER GLU ASN LEU TYR GLN SEQRES 6 A 95 GLY LEU LEU LYS ASP GLY THR PRO LYS ALA THR GLN CYS SEQRES 7 A 95 SER SER PHE ASN ARG THR MET THR PRO PHE LEU ASP ALA SEQRES 8 A 95 MET ARG THR VAL SEQRES 1 B 95 VAL PRO ALA ASN GLU GLN ILE SER GLN LEU ALA SER LEU SEQRES 2 B 95 VAL ALA ALA SER LYS TYR LEU ARG VAL GLN CYS GLU ARG SEQRES 3 B 95 SER ASP LEU PRO ASP ASP GLY THR ILE LEU LYS THR ALA SEQRES 4 B 95 VAL ASN VAL ALA VAL GLN LYS GLY TRP ASP THR GLY ARG SEQRES 5 B 95 TYR GLN SER LEU PRO GLN LEU SER GLU ASN LEU TYR GLN SEQRES 6 B 95 GLY LEU LEU LYS ASP GLY THR PRO LYS ALA THR GLN CYS SEQRES 7 B 95 SER SER PHE ASN ARG THR MET THR PRO PHE LEU ASP ALA SEQRES 8 B 95 MET ARG THR VAL HET ARG A 218 252 SSBOND 1 CYS A 61 CYS A 115 SSBOND 2 CYS B 61 CYS B 115 ATOM 1 N VAL A 38 2.494 -33.388 3.540 1.00101.19 N ATOM 2 CA VAL A 38 2.238 -31.933 3.247 1.00 91.25 C ATOM 3 C VAL A 38 1.826 -31.731 1.770 1.00 79.33 C ATOM 4 O VAL A 38 2.658 -31.398 0.935 1.00 74.72 O ATOM 5 CB VAL A 38 3.448 -31.045 3.660 1.00 85.89 C ATOM 6 CG1 VAL A 38 3.202 -30.470 5.042 1.00 81.19 C ATOM 7 CG2 VAL A 38 4.782 -31.817 3.633 1.00 82.69 C ATOM 8 HA VAL A 38 1.397 -31.606 3.858 1.00 0.00 H ATOM 9 HB VAL A 38 3.534 -30.240 2.930 1.00 0.00 H ATOM 10 HG11 VAL A 38 2.295 -29.866 5.027 1.00 0.00 H ATOM 11 HG12 VAL A 38 3.086 -31.284 5.757 1.00 0.00 H ATOM 12 HG13 VAL A 38 4.049 -29.848 5.331 1.00 0.00 H ATOM 13 HG21 VAL A 38 4.729 -32.657 4.326 1.00 0.00 H ATOM 14 HG22 VAL A 38 4.965 -32.188 2.625 1.00 0.00 H ATOM 15 HG23 VAL A 38 5.592 -31.151 3.929 1.00 0.00 H ATOM 16 HN3 VAL A 38 3.261 -33.734 2.928 1.00 0.00 H ATOM 17 HN2 VAL A 38 1.629 -33.935 3.356 1.00 0.00 H ATOM 18 HN1 VAL A 38 2.769 -33.496 4.537 1.00 0.00 H ATOM 19 N PRO A 39 0.527 -31.937 1.449 1.00 79.19 N ATOM 20 CA PRO A 39 0.084 -32.000 0.044 1.00 81.35 C ATOM 21 C PRO A 39 0.218 -30.662 -0.713 1.00 87.31 C ATOM 22 O PRO A 39 0.085 -29.585 -0.115 1.00 90.68 O ATOM 23 CB PRO A 39 -1.385 -32.448 0.151 1.00 78.26 C ATOM 24 CG PRO A 39 -1.829 -32.035 1.512 1.00 77.42 C ATOM 25 CD PRO A 39 -0.614 -31.921 2.391 1.00 78.17 C ATOM 26 HA PRO A 39 0.706 -32.679 -0.539 1.00 0.00 H ATOM 27 HD3 PRO A 39 -0.634 -30.990 2.957 1.00 0.00 H ATOM 28 HD2 PRO A 39 -0.557 -32.763 3.081 1.00 0.00 H ATOM 29 HG3 PRO A 39 -2.511 -32.781 1.920 1.00 0.00 H ATOM 30 HG2 PRO A 39 -2.337 -31.072 1.458 1.00 0.00 H ATOM 31 HB2 PRO A 39 -1.990 -31.958 -0.612 1.00 0.00 H ATOM 32 HB3 PRO A 39 -1.463 -33.529 0.036 1.00 0.00 H ATOM 33 N ALA A 40 0.475 -30.739 -2.016 1.00 82.08 N ATOM 34 CA ALA A 40 0.837 -29.553 -2.810 1.00 84.64 C ATOM 35 C ALA A 40 -0.120 -28.369 -2.656 1.00 81.73 C ATOM 36 O ALA A 40 0.304 -27.217 -2.570 1.00 76.38 O ATOM 37 CB ALA A 40 0.958 -29.920 -4.278 1.00 85.05 C ATOM 38 HA ALA A 40 1.797 -29.221 -2.413 1.00 0.00 H ATOM 39 HB1 ALA A 40 1.730 -30.680 -4.399 1.00 0.00 H ATOM 40 HB2 ALA A 40 0.004 -30.310 -4.634 1.00 0.00 H ATOM 41 HB3 ALA A 40 1.226 -29.033 -4.852 1.00 0.00 H ATOM 42 H ALA A 40 0.419 -31.664 -2.488 1.00 0.00 H ATOM 43 N ASN A 41 -1.411 -28.656 -2.635 1.00 79.76 N ATOM 44 CA ASN A 41 -2.418 -27.599 -2.562 1.00 77.81 C ATOM 45 C ASN A 41 -2.393 -26.851 -1.228 1.00 73.00 C ATOM 46 O ASN A 41 -2.710 -25.658 -1.160 1.00 66.28 O ATOM 47 CB ASN A 41 -3.816 -28.157 -2.848 1.00 81.09 C ATOM 48 CG ASN A 41 -4.204 -29.294 -1.918 1.00 82.44 C ATOM 49 OD1 ASN A 41 -3.399 -30.177 -1.607 1.00 92.97 O ATOM 50 ND2 ASN A 41 -5.447 -29.283 -1.481 1.00 82.15 N ATOM 51 HA ASN A 41 -2.166 -26.872 -3.334 1.00 0.00 H ATOM 52 HB2 ASN A 41 -4.542 -27.352 -2.734 1.00 0.00 H ATOM 53 HB3 ASN A 41 -3.841 -28.524 -3.874 1.00 0.00 H ATOM 54 HD22 ASN A 41 -6.092 -28.520 -1.768 1.00 0.00 H ATOM 55 HD21 ASN A 41 -5.783 -30.038 -0.849 1.00 0.00 H ATOM 56 H ASN A 41 -1.715 -29.650 -2.671 1.00 0.00 H ATOM 57 N GLU A 42 -1.995 -27.547 -0.172 1.00 69.01 N ATOM 58 CA GLU A 42 -1.881 -26.921 1.137 1.00 72.47 C ATOM 59 C GLU A 42 -0.553 -26.192 1.221 1.00 60.69 C ATOM 60 O GLU A 42 -0.452 -25.121 1.820 1.00 65.04 O ATOM 61 CB GLU A 42 -2.005 -27.962 2.246 1.00 82.24 C ATOM 62 CG GLU A 42 -2.622 -27.439 3.537 1.00 93.49 C ATOM 63 CD GLU A 42 -2.594 -28.476 4.657 1.00108.40 C ATOM 64 OE1 GLU A 42 -3.059 -28.156 5.778 1.00113.63 O ATOM 65 OE2 GLU A 42 -2.106 -29.613 4.417 1.00107.01 O ATOM 66 HA GLU A 42 -2.692 -26.205 1.270 1.00 0.00 H ATOM 67 HB2 GLU A 42 -2.625 -28.779 1.878 1.00 0.00 H ATOM 68 HB3 GLU A 42 -1.008 -28.338 2.473 1.00 0.00 H ATOM 69 HG2 GLU A 42 -2.065 -26.559 3.860 1.00 0.00 H ATOM 70 HG3 GLU A 42 -3.658 -27.161 3.343 1.00 0.00 H ATOM 71 H GLU A 42 -1.761 -28.554 -0.281 1.00 0.00 H ATOM 72 N GLN A 43 0.469 -26.762 0.612 1.00 54.63 N ATOM 73 CA GLN A 43 1.710 -26.045 0.488 1.00 53.28 C ATOM 74 C GLN A 43 1.408 -24.643 -0.085 1.00 54.29 C ATOM 75 O GLN A 43 1.952 -23.644 0.388 1.00 48.02 O ATOM 76 CB GLN A 43 2.675 -26.764 -0.445 1.00 58.36 C ATOM 77 CG GLN A 43 3.086 -28.168 -0.046 1.00 63.93 C ATOM 78 CD GLN A 43 4.077 -28.774 -1.031 1.00 61.39 C ATOM 79 OE1 GLN A 43 4.656 -28.089 -1.874 1.00 59.95 O ATOM 80 NE2 GLN A 43 4.283 -30.063 -0.914 1.00 66.12 N ATOM 81 HA GLN A 43 2.175 -25.976 1.471 1.00 0.00 H ATOM 82 HB2 GLN A 43 2.204 -26.823 -1.426 1.00 0.00 H ATOM 83 HB3 GLN A 43 3.580 -26.161 -0.513 1.00 0.00 H ATOM 84 HG2 GLN A 43 3.547 -28.133 0.941 1.00 0.00 H ATOM 85 HG3 GLN A 43 2.197 -28.798 -0.008 1.00 0.00 H ATOM 86 HE22 GLN A 43 3.774 -30.607 -0.189 1.00 0.00 H ATOM 87 HE21 GLN A 43 4.956 -30.542 -1.547 1.00 0.00 H ATOM 88 H GLN A 43 0.378 -27.723 0.224 1.00 0.00 H ATOM 89 N ILE A 44 0.530 -24.596 -1.095 1.00 49.77 N ATOM 90 CA ILE A 44 0.186 -23.355 -1.808 1.00 51.34 C ATOM 91 C ILE A 44 -0.657 -22.432 -0.943 1.00 45.47 C ATOM 92 O ILE A 44 -0.393 -21.239 -0.905 1.00 45.40 O ATOM 93 CB ILE A 44 -0.552 -23.600 -3.183 1.00 52.82 C ATOM 94 CG1 ILE A 44 0.311 -24.388 -4.170 1.00 56.96 C ATOM 95 CG2 ILE A 44 -0.884 -22.280 -3.880 1.00 48.08 C ATOM 96 CD1 ILE A 44 -0.469 -24.865 -5.380 1.00 58.99 C ATOM 97 HA ILE A 44 1.142 -22.881 -2.030 1.00 0.00 H ATOM 98 HB ILE A 44 -1.453 -24.157 -2.928 1.00 0.00 H ATOM 99 HG12 ILE A 44 1.125 -23.748 -4.510 1.00 0.00 H ATOM 100 HG13 ILE A 44 0.724 -25.256 -3.656 1.00 0.00 H ATOM 101 HD11 ILE A 44 -1.281 -25.514 -5.054 1.00 0.00 H ATOM 102 HD12 ILE A 44 -0.880 -24.005 -5.908 1.00 0.00 H ATOM 103 HD13 ILE A 44 0.195 -25.418 -6.044 1.00 0.00 H ATOM 104 HG21 ILE A 44 -1.534 -21.685 -3.238 1.00 0.00 H ATOM 105 HG22 ILE A 44 0.038 -21.731 -4.074 1.00 0.00 H ATOM 106 HG23 ILE A 44 -1.391 -22.486 -4.823 1.00 0.00 H ATOM 107 H ILE A 44 0.068 -25.480 -1.390 1.00 0.00 H ATOM 108 N SER A 45 -1.686 -22.954 -0.285 1.00 42.65 N ATOM 109 CA SER A 45 -2.463 -22.138 0.650 1.00 45.67 C ATOM 110 C SER A 45 -1.603 -21.458 1.732 1.00 41.45 C ATOM 111 O SER A 45 -1.808 -20.297 2.105 1.00 41.78 O ATOM 112 CB SER A 45 -3.455 -23.039 1.352 1.00 46.52 C ATOM 113 OG SER A 45 -4.309 -23.581 0.381 1.00 60.15 O ATOM 114 HA SER A 45 -2.942 -21.352 0.067 1.00 0.00 H ATOM 115 HB2 SER A 45 -4.033 -22.462 2.074 1.00 0.00 H ATOM 116 HB3 SER A 45 -2.927 -23.840 1.869 1.00 0.00 H ATOM 117 HG SER A 45 -3.777 -24.101 -0.272 1.00 0.00 H ATOM 118 H SER A 45 -1.942 -23.951 -0.435 1.00 0.00 H ATOM 119 N GLN A 46 -0.677 -22.240 2.264 1.00 41.80 N ATOM 120 CA GLN A 46 0.163 -21.812 3.346 1.00 44.56 C ATOM 121 C GLN A 46 1.063 -20.690 2.850 1.00 46.59 C ATOM 122 O GLN A 46 1.002 -19.566 3.380 1.00 48.17 O ATOM 123 CB GLN A 46 0.987 -22.980 3.908 1.00 48.29 C ATOM 124 CG GLN A 46 0.290 -23.701 5.066 1.00 50.09 C ATOM 125 CD GLN A 46 0.965 -25.004 5.478 1.00 50.74 C ATOM 126 OE1 GLN A 46 2.187 -25.137 5.427 1.00 54.61 O ATOM 127 NE2 GLN A 46 0.168 -25.966 5.896 1.00 49.08 N ATOM 128 HA GLN A 46 -0.458 -21.444 4.163 1.00 0.00 H ATOM 129 HB2 GLN A 46 1.164 -23.698 3.107 1.00 0.00 H ATOM 130 HB3 GLN A 46 1.942 -22.593 4.264 1.00 0.00 H ATOM 131 HG2 GLN A 46 0.277 -23.034 5.928 1.00 0.00 H ATOM 132 HG3 GLN A 46 -0.734 -23.925 4.765 1.00 0.00 H ATOM 133 HE22 GLN A 46 -0.860 -25.814 5.924 1.00 0.00 H ATOM 134 HE21 GLN A 46 0.567 -26.878 6.198 1.00 0.00 H ATOM 135 H GLN A 46 -0.554 -23.200 1.884 1.00 0.00 H ATOM 136 N LEU A 47 1.860 -20.985 1.817 1.00 45.06 N ATOM 137 CA LEU A 47 2.765 -19.987 1.220 1.00 45.41 C ATOM 138 C LEU A 47 2.030 -18.732 0.781 1.00 38.25 C ATOM 139 O LEU A 47 2.491 -17.605 1.016 1.00 43.30 O ATOM 140 CB LEU A 47 3.555 -20.586 0.045 1.00 48.54 C ATOM 141 CG LEU A 47 4.471 -21.777 0.393 1.00 50.05 C ATOM 142 CD1 LEU A 47 4.957 -22.530 -0.862 1.00 48.27 C ATOM 143 CD2 LEU A 47 5.634 -21.297 1.259 1.00 50.23 C ATOM 144 HA LEU A 47 3.468 -19.697 2.001 1.00 0.00 H ATOM 145 HB2 LEU A 47 2.838 -20.922 -0.704 1.00 0.00 H ATOM 146 HB3 LEU A 47 4.177 -19.797 -0.378 1.00 0.00 H ATOM 147 HG LEU A 47 3.888 -22.500 0.964 1.00 0.00 H ATOM 148 HD21 LEU A 47 6.207 -20.548 0.713 1.00 0.00 H ATOM 149 HD22 LEU A 47 5.244 -20.860 2.178 1.00 0.00 H ATOM 150 HD23 LEU A 47 6.278 -22.142 1.502 1.00 0.00 H ATOM 151 HD11 LEU A 47 4.096 -22.915 -1.409 1.00 0.00 H ATOM 152 HD12 LEU A 47 5.519 -21.847 -1.499 1.00 0.00 H ATOM 153 HD13 LEU A 47 5.598 -23.359 -0.561 1.00 0.00 H ATOM 154 H LEU A 47 1.840 -21.947 1.423 1.00 0.00 H ATOM 155 N ALA A 48 0.868 -18.900 0.171 1.00 42.51 N ATOM 156 CA ALA A 48 0.085 -17.725 -0.276 1.00 40.79 C ATOM 157 C ALA A 48 -0.425 -16.892 0.899 1.00 45.03 C ATOM 158 O ALA A 48 -0.667 -15.671 0.773 1.00 41.86 O ATOM 159 CB ALA A 48 -1.105 -18.158 -1.111 1.00 43.40 C ATOM 160 HA ALA A 48 0.761 -17.113 -0.873 1.00 0.00 H ATOM 161 HB1 ALA A 48 -0.753 -18.701 -1.988 1.00 0.00 H ATOM 162 HB2 ALA A 48 -1.749 -18.805 -0.515 1.00 0.00 H ATOM 163 HB3 ALA A 48 -1.665 -17.278 -1.428 1.00 0.00 H ATOM 164 H ALA A 48 0.503 -19.860 0.005 1.00 0.00 H ATOM 165 N SER A 49 -0.678 -17.585 2.009 1.00 40.24 N ATOM 166 CA SER A 49 -1.065 -16.905 3.231 1.00 38.90 C ATOM 167 C SER A 49 0.087 -16.061 3.761 1.00 32.61 C ATOM 168 O SER A 49 -0.110 -14.928 4.189 1.00 37.40 O ATOM 169 CB SER A 49 -1.560 -17.949 4.206 1.00 39.81 C ATOM 170 OG SER A 49 -2.792 -18.456 3.703 1.00 40.35 O ATOM 171 HA SER A 49 -1.877 -16.199 3.055 1.00 0.00 H ATOM 172 HB2 SER A 49 -1.715 -17.499 5.186 1.00 0.00 H ATOM 173 HB3 SER A 49 -0.832 -18.756 4.289 1.00 0.00 H ATOM 174 HG SER A 49 -2.642 -18.859 2.811 1.00 0.00 H ATOM 175 H SER A 49 -0.597 -18.622 1.999 1.00 0.00 H ATOM 176 N LEU A 50 1.301 -16.582 3.681 1.00 32.81 N ATOM 177 CA LEU A 50 2.482 -15.835 4.117 1.00 31.94 C ATOM 178 C LEU A 50 2.770 -14.668 3.227 1.00 33.15 C ATOM 179 O LEU A 50 3.193 -13.562 3.648 1.00 28.07 O ATOM 180 CB LEU A 50 3.666 -16.772 4.092 1.00 35.80 C ATOM 181 CG LEU A 50 3.673 -17.946 5.084 1.00 39.70 C ATOM 182 CD1 LEU A 50 4.800 -18.952 4.752 1.00 37.58 C ATOM 183 CD2 LEU A 50 3.868 -17.326 6.473 1.00 38.61 C ATOM 184 HA LEU A 50 2.295 -15.449 5.119 1.00 0.00 H ATOM 185 HB2 LEU A 50 3.726 -17.194 3.089 1.00 0.00 H ATOM 186 HB3 LEU A 50 4.557 -16.175 4.288 1.00 0.00 H ATOM 187 HG LEU A 50 2.743 -18.512 5.034 1.00 0.00 H ATOM 188 HD21 LEU A 50 4.813 -16.784 6.498 1.00 0.00 H ATOM 189 HD22 LEU A 50 3.048 -16.639 6.681 1.00 0.00 H ATOM 190 HD23 LEU A 50 3.881 -18.116 7.224 1.00 0.00 H ATOM 191 HD11 LEU A 50 4.649 -19.346 3.747 1.00 0.00 H ATOM 192 HD12 LEU A 50 5.764 -18.446 4.804 1.00 0.00 H ATOM 193 HD13 LEU A 50 4.778 -19.770 5.472 1.00 0.00 H ATOM 194 H LEU A 50 1.418 -17.543 3.300 1.00 0.00 H ATOM 195 N VAL A 51 2.558 -14.904 1.933 1.00 38.36 N ATOM 196 CA VAL A 51 2.734 -13.809 0.966 1.00 34.63 C ATOM 197 C VAL A 51 1.691 -12.728 1.183 1.00 30.48 C ATOM 198 O VAL A 51 2.032 -11.560 1.209 1.00 31.28 O ATOM 199 CB VAL A 51 2.667 -14.292 -0.516 1.00 34.37 C ATOM 200 CG1 VAL A 51 2.783 -13.081 -1.434 1.00 33.24 C ATOM 201 CG2 VAL A 51 3.757 -15.319 -0.779 1.00 30.69 C ATOM 202 HA VAL A 51 3.732 -13.408 1.142 1.00 0.00 H ATOM 203 HB VAL A 51 1.713 -14.781 -0.715 1.00 0.00 H ATOM 204 HG11 VAL A 51 1.962 -12.393 -1.232 1.00 0.00 H ATOM 205 HG12 VAL A 51 3.733 -12.578 -1.252 1.00 0.00 H ATOM 206 HG13 VAL A 51 2.737 -13.408 -2.473 1.00 0.00 H ATOM 207 HG21 VAL A 51 4.732 -14.868 -0.592 1.00 0.00 H ATOM 208 HG22 VAL A 51 3.617 -16.173 -0.116 1.00 0.00 H ATOM 209 HG23 VAL A 51 3.701 -15.649 -1.816 1.00 0.00 H ATOM 210 H VAL A 51 2.272 -15.850 1.610 1.00 0.00 H ATOM 211 N ALA A 52 0.412 -13.107 1.281 1.00 31.88 N ATOM 212 CA ALA A 52 -0.653 -12.140 1.446 1.00 29.10 C ATOM 213 C ALA A 52 -0.488 -11.320 2.744 1.00 32.79 C ATOM 214 O ALA A 52 -0.683 -10.071 2.758 1.00 33.90 O ATOM 215 CB ALA A 52 -1.985 -12.857 1.442 1.00 30.93 C ATOM 216 HA ALA A 52 -0.609 -11.438 0.614 1.00 0.00 H ATOM 217 HB1 ALA A 52 -2.111 -13.381 0.495 1.00 0.00 H ATOM 218 HB2 ALA A 52 -2.013 -13.574 2.262 1.00 0.00 H ATOM 219 HB3 ALA A 52 -2.788 -12.130 1.566 1.00 0.00 H ATOM 220 H ALA A 52 0.177 -14.119 1.238 1.00 0.00 H ATOM 221 N ALA A 53 -0.103 -12.008 3.831 1.00 32.09 N ATOM 222 CA ALA A 53 0.046 -11.336 5.148 1.00 30.83 C ATOM 223 C ALA A 53 1.212 -10.348 5.135 1.00 29.13 C ATOM 224 O ALA A 53 1.145 -9.254 5.722 1.00 32.63 O ATOM 225 CB ALA A 53 0.247 -12.395 6.223 1.00 32.21 C ATOM 226 HA ALA A 53 -0.858 -10.766 5.363 1.00 0.00 H ATOM 227 HB1 ALA A 53 -0.617 -13.059 6.243 1.00 0.00 H ATOM 228 HB2 ALA A 53 1.145 -12.972 6.000 1.00 0.00 H ATOM 229 HB3 ALA A 53 0.357 -11.910 7.193 1.00 0.00 H ATOM 230 H ALA A 53 0.094 -13.026 3.750 1.00 0.00 H ATOM 231 N SER A 54 2.271 -10.703 4.410 1.00 29.88 N ATOM 232 CA SER A 54 3.430 -9.796 4.268 1.00 32.24 C ATOM 233 C SER A 54 3.097 -8.531 3.486 1.00 36.31 C ATOM 234 O SER A 54 3.605 -7.450 3.779 1.00 33.64 O ATOM 235 CB SER A 54 4.579 -10.490 3.561 1.00 35.35 C ATOM 236 OG SER A 54 4.947 -11.692 4.182 1.00 38.24 O ATOM 237 HA SER A 54 3.712 -9.519 5.284 1.00 0.00 H ATOM 238 HB2 SER A 54 5.440 -9.822 3.555 1.00 0.00 H ATOM 239 HB3 SER A 54 4.280 -10.704 2.535 1.00 0.00 H ATOM 240 HG SER A 54 4.174 -12.310 4.186 1.00 0.00 H ATOM 241 H SER A 54 2.283 -11.630 3.938 1.00 0.00 H ATOM 242 N LYS A 55 2.227 -8.677 2.488 1.00 33.07 N ATOM 243 CA LYS A 55 1.778 -7.540 1.728 1.00 32.78 C ATOM 244 C LYS A 55 0.858 -6.705 2.583 1.00 30.50 C ATOM 245 O LYS A 55 0.946 -5.492 2.565 1.00 28.39 O ATOM 246 CB LYS A 55 0.994 -7.970 0.440 1.00 32.08 C ATOM 247 CG LYS A 55 0.537 -6.748 -0.377 1.00 37.17 C ATOM 248 CD LYS A 55 0.311 -7.046 -1.875 1.00 39.37 C ATOM 249 CE LYS A 55 0.046 -5.755 -2.696 1.00 41.07 C ATOM 250 NZ LYS A 55 0.198 -5.900 -4.205 1.00 40.78 N ATOM 251 HA LYS A 55 2.660 -6.976 1.426 1.00 0.00 H ATOM 252 HB2 LYS A 55 1.643 -8.588 -0.180 1.00 0.00 H ATOM 253 HB3 LYS A 55 0.118 -8.547 0.735 1.00 0.00 H ATOM 254 HG2 LYS A 55 -0.399 -6.383 0.046 1.00 0.00 H ATOM 255 HG3 LYS A 55 1.299 -5.973 -0.292 1.00 0.00 H ATOM 256 HD2 LYS A 55 1.198 -7.540 -2.273 1.00 0.00 H ATOM 257 HD3 LYS A 55 -0.548 -7.709 -1.976 1.00 0.00 H ATOM 258 HE2 LYS A 55 0.747 -4.991 -2.359 1.00 0.00 H ATOM 259 HE3 LYS A 55 -0.973 -5.428 -2.490 1.00 0.00 H ATOM 260 HZ1 LYS A 55 1.169 -6.198 -4.427 1.00 0.00 H ATOM 261 HZ2 LYS A 55 -0.473 -6.614 -4.553 1.00 0.00 H ATOM 262 HZ3 LYS A 55 0.001 -4.987 -4.661 1.00 0.00 H ATOM 263 H LYS A 55 1.868 -9.625 2.255 1.00 0.00 H ATOM 264 N TYR A 56 -0.089 -7.367 3.230 1.00 28.65 N ATOM 265 CA TYR A 56 -0.900 -6.705 4.277 1.00 31.99 C ATOM 266 C TYR A 56 -0.013 -5.892 5.233 1.00 29.39 C ATOM 267 O TYR A 56 -0.267 -4.706 5.486 1.00 32.76 O ATOM 268 CB TYR A 56 -1.703 -7.750 5.049 1.00 32.42 C ATOM 269 CG TYR A 56 -2.749 -7.095 5.866 1.00 33.88 C ATOM 270 CD1 TYR A 56 -2.481 -6.620 7.130 1.00 34.23 C ATOM 271 CD2 TYR A 56 -4.019 -6.920 5.354 1.00 36.60 C ATOM 272 CE1 TYR A 56 -3.468 -5.961 7.854 1.00 34.95 C ATOM 273 CE2 TYR A 56 -4.995 -6.240 6.044 1.00 37.71 C ATOM 274 CZ TYR A 56 -4.713 -5.795 7.329 1.00 37.34 C ATOM 275 OH TYR A 56 -5.715 -5.139 8.002 1.00 38.08 O ATOM 276 HA TYR A 56 -1.589 -6.012 3.794 1.00 0.00 H ATOM 277 HB3 TYR A 56 -1.033 -8.308 5.703 1.00 0.00 H ATOM 278 HB2 TYR A 56 -2.174 -8.435 4.344 1.00 0.00 H ATOM 279 HD2 TYR A 56 -4.255 -7.333 4.373 1.00 0.00 H ATOM 280 HE2 TYR A 56 -5.969 -6.054 5.592 1.00 0.00 H ATOM 281 HE1 TYR A 56 -3.244 -5.575 8.848 1.00 0.00 H ATOM 282 HD1 TYR A 56 -1.491 -6.761 7.565 1.00 0.00 H ATOM 283 HH TYR A 56 -5.390 -4.875 8.899 1.00 0.00 H ATOM 284 H TYR A 56 -0.265 -8.366 3.000 1.00 0.00 H ATOM 285 N LEU A 57 1.041 -6.521 5.740 1.00 29.83 N ATOM 286 CA LEU A 57 1.979 -5.778 6.630 1.00 31.12 C ATOM 287 C LEU A 57 2.538 -4.542 5.973 1.00 31.37 C ATOM 288 O LEU A 57 2.583 -3.429 6.530 1.00 30.25 O ATOM 289 CB LEU A 57 3.130 -6.708 7.061 1.00 33.81 C ATOM 290 CG LEU A 57 2.813 -7.723 8.185 1.00 38.95 C ATOM 291 CD1 LEU A 57 3.974 -8.688 8.442 1.00 38.57 C ATOM 292 CD2 LEU A 57 2.477 -6.970 9.454 1.00 37.24 C ATOM 293 HA LEU A 57 1.413 -5.452 7.502 1.00 0.00 H ATOM 294 HB2 LEU A 57 3.446 -7.273 6.184 1.00 0.00 H ATOM 295 HB3 LEU A 57 3.953 -6.080 7.403 1.00 0.00 H ATOM 296 HG LEU A 57 1.962 -8.324 7.864 1.00 0.00 H ATOM 297 HD21 LEU A 57 3.328 -6.354 9.745 1.00 0.00 H ATOM 298 HD22 LEU A 57 1.609 -6.334 9.279 1.00 0.00 H ATOM 299 HD23 LEU A 57 2.253 -7.682 10.249 1.00 0.00 H ATOM 300 HD11 LEU A 57 4.188 -9.248 7.532 1.00 0.00 H ATOM 301 HD12 LEU A 57 4.857 -8.121 8.737 1.00 0.00 H ATOM 302 HD13 LEU A 57 3.701 -9.379 9.239 1.00 0.00 H ATOM 303 H LEU A 57 1.211 -7.523 5.518 1.00 0.00 H ATOM 304 N ARG A 58 2.979 -4.727 4.737 1.00 31.72 N ATOM 305 CA ARG A 58 3.646 -3.626 4.018 1.00 29.23 C ATOM 306 C ARG A 58 2.732 -2.451 3.853 1.00 27.80 C ATOM 307 O ARG A 58 3.118 -1.267 4.108 1.00 26.87 O ATOM 308 CB ARG A 58 4.174 -4.079 2.628 1.00 33.21 C ATOM 309 CG ARG A 58 5.198 -3.082 2.072 1.00 34.77 C ATOM 310 CD ARG A 58 5.702 -3.422 0.648 1.00 35.88 C ATOM 311 NE ARG A 58 4.592 -3.553 -0.299 1.00 33.57 N ATOM 312 CZ ARG A 58 4.380 -4.601 -1.109 1.00 31.98 C ATOM 313 NH1 ARG A 58 5.230 -5.612 -1.165 1.00 37.30 N ATOM 314 NH2 ARG A 58 3.297 -4.613 -1.906 1.00 34.53 N ATOM 315 HA ARG A 58 4.499 -3.327 4.628 1.00 0.00 H ATOM 316 HB2 ARG A 58 4.647 -5.056 2.728 1.00 0.00 H ATOM 317 HB3 ARG A 58 3.336 -4.152 1.935 1.00 0.00 H ATOM 318 HG2 ARG A 58 4.736 -2.095 2.045 1.00 0.00 H ATOM 319 HG3 ARG A 58 6.056 -3.062 2.744 1.00 0.00 H ATOM 320 HD2 ARG A 58 6.252 -4.363 0.682 1.00 0.00 H ATOM 321 HD3 ARG A 58 6.366 -2.627 0.308 1.00 0.00 H ATOM 322 HE ARG A 58 3.912 -2.768 -0.347 1.00 0.00 H ATOM 323 HH12 ARG A 58 5.044 -6.413 -1.801 1.00 0.00 H ATOM 324 HH11 ARG A 58 6.085 -5.606 -0.573 1.00 0.00 H ATOM 325 HH22 ARG A 58 3.125 -5.421 -2.537 1.00 0.00 H ATOM 326 HH21 ARG A 58 2.632 -3.814 -1.891 1.00 0.00 H ATOM 327 H ARG A 58 2.854 -5.650 4.274 1.00 0.00 H ATOM 328 N VAL A 59 1.503 -2.755 3.460 1.00 28.16 N ATOM 329 CA VAL A 59 0.601 -1.724 3.061 1.00 31.59 C ATOM 330 C VAL A 59 -0.336 -1.304 4.184 1.00 32.45 C ATOM 331 O VAL A 59 -0.471 -0.134 4.456 1.00 32.71 O ATOM 332 CB VAL A 59 -0.288 -2.197 1.896 1.00 33.32 C ATOM 333 CG1 VAL A 59 -1.238 -1.048 1.498 1.00 33.16 C ATOM 334 CG2 VAL A 59 0.539 -2.654 0.681 1.00 35.13 C ATOM 335 HA VAL A 59 1.228 -0.881 2.769 1.00 0.00 H ATOM 336 HB VAL A 59 -0.860 -3.063 2.229 1.00 0.00 H ATOM 337 HG11 VAL A 59 -1.859 -0.779 2.352 1.00 0.00 H ATOM 338 HG12 VAL A 59 -0.651 -0.184 1.188 1.00 0.00 H ATOM 339 HG13 VAL A 59 -1.873 -1.372 0.673 1.00 0.00 H ATOM 340 HG21 VAL A 59 1.150 -1.824 0.326 1.00 0.00 H ATOM 341 HG22 VAL A 59 1.184 -3.483 0.973 1.00 0.00 H ATOM 342 HG23 VAL A 59 -0.133 -2.978 -0.113 1.00 0.00 H ATOM 343 H VAL A 59 1.195 -3.748 3.442 1.00 0.00 H ATOM 344 N GLN A 60 -1.058 -2.246 4.777 1.00 35.96 N ATOM 345 CA GLN A 60 -2.016 -1.846 5.823 1.00 41.88 C ATOM 346 C GLN A 60 -1.298 -1.420 7.148 1.00 40.40 C ATOM 347 O GLN A 60 -1.643 -0.404 7.775 1.00 43.25 O ATOM 348 CB GLN A 60 -2.995 -2.960 6.086 1.00 42.30 C ATOM 349 CG GLN A 60 -3.806 -3.335 4.892 1.00 45.22 C ATOM 350 CD GLN A 60 -4.368 -2.139 4.177 1.00 49.15 C ATOM 351 OE1 GLN A 60 -4.940 -1.263 4.785 1.00 51.18 O ATOM 352 NE2 GLN A 60 -4.214 -2.103 2.874 1.00 51.23 N ATOM 353 HA GLN A 60 -2.557 -0.974 5.456 1.00 0.00 H ATOM 354 HB2 GLN A 60 -2.439 -3.838 6.415 1.00 0.00 H ATOM 355 HB3 GLN A 60 -3.673 -2.643 6.878 1.00 0.00 H ATOM 356 HG2 GLN A 60 -3.173 -3.890 4.200 1.00 0.00 H ATOM 357 HG3 GLN A 60 -4.632 -3.969 5.215 1.00 0.00 H ATOM 358 HE22 GLN A 60 -3.716 -2.876 2.388 1.00 0.00 H ATOM 359 HE21 GLN A 60 -4.590 -1.302 2.328 1.00 0.00 H ATOM 360 H GLN A 60 -0.950 -3.245 4.509 1.00 0.00 H ATOM 361 N CYS A 61 -0.273 -2.156 7.529 1.00 36.62 N ATOM 362 CA CYS A 61 0.513 -1.815 8.734 1.00 37.82 C ATOM 363 C CYS A 61 1.746 -0.957 8.491 1.00 36.16 C ATOM 364 O CYS A 61 2.542 -0.700 9.399 1.00 36.13 O ATOM 365 CB CYS A 61 0.902 -3.116 9.461 1.00 37.21 C ATOM 366 SG CYS A 61 -0.431 -4.339 9.432 1.00 39.29 S ATOM 367 HA CYS A 61 -0.136 -1.190 9.348 1.00 0.00 H ATOM 368 HB2 CYS A 61 1.141 -2.881 10.498 1.00 0.00 H ATOM 369 HB3 CYS A 61 1.780 -3.541 8.975 1.00 0.00 H ATOM 370 HG CYS A 61 -0.657 -3.812 8.177 1.00 0.00 H ATOM 371 H CYS A 61 -0.012 -2.994 6.971 1.00 0.00 H ATOM 372 N GLU A 62 1.917 -0.453 7.279 1.00 32.94 N ATOM 373 CA GLU A 62 2.987 0.448 7.009 1.00 27.06 C ATOM 374 C GLU A 62 4.348 -0.100 7.356 1.00 25.63 C ATOM 375 O GLU A 62 5.267 0.632 7.765 1.00 26.21 O ATOM 376 CB GLU A 62 2.782 1.816 7.701 1.00 31.35 C ATOM 377 CG GLU A 62 1.410 2.485 7.528 1.00 33.44 C ATOM 378 CD GLU A 62 1.067 2.949 6.071 1.00 39.34 C ATOM 379 OE1 GLU A 62 1.967 3.016 5.193 1.00 38.33 O ATOM 380 OE2 GLU A 62 -0.124 3.259 5.812 1.00 38.05 O ATOM 381 HA GLU A 62 2.963 0.587 5.928 1.00 0.00 H ATOM 382 HB2 GLU A 62 2.946 1.673 8.769 1.00 0.00 H ATOM 383 HB3 GLU A 62 3.534 2.500 7.308 1.00 0.00 H ATOM 384 HG2 GLU A 62 0.647 1.774 7.843 1.00 0.00 H ATOM 385 HG3 GLU A 62 1.378 3.361 8.176 1.00 0.00 H ATOM 386 H GLU A 62 1.263 -0.718 6.515 1.00 0.00 H ATOM 387 N ARG A 63 4.534 -1.369 7.125 1.00 29.26 N ATOM 388 CA ARG A 63 5.874 -1.929 7.206 1.00 29.62 C ATOM 389 C ARG A 63 6.703 -1.604 5.990 1.00 32.04 C ATOM 390 O ARG A 63 6.984 -2.485 5.169 1.00 33.91 O ATOM 391 CB ARG A 63 5.797 -3.432 7.381 1.00 30.60 C ATOM 392 CG ARG A 63 5.137 -3.851 8.700 1.00 35.14 C ATOM 393 CD ARG A 63 6.032 -3.490 9.893 1.00 34.22 C ATOM 394 NE ARG A 63 7.384 -4.005 9.793 1.00 31.33 N ATOM 395 CZ ARG A 63 7.771 -5.219 10.174 1.00 34.17 C ATOM 396 NH1 ARG A 63 6.934 -6.088 10.733 1.00 33.52 N ATOM 397 NH2 ARG A 63 9.044 -5.543 10.067 1.00 34.72 N ATOM 398 HA ARG A 63 6.362 -1.477 8.069 1.00 0.00 H ATOM 399 HB2 ARG A 63 5.219 -3.848 6.556 1.00 0.00 H ATOM 400 HB3 ARG A 63 6.809 -3.837 7.355 1.00 0.00 H ATOM 401 HG2 ARG A 63 4.181 -3.337 8.801 1.00 0.00 H ATOM 402 HG3 ARG A 63 4.970 -4.928 8.691 1.00 0.00 H ATOM 403 HD2 ARG A 63 5.577 -3.894 10.798 1.00 0.00 H ATOM 404 HD3 ARG A 63 6.083 -2.404 9.967 1.00 0.00 H ATOM 405 HE ARG A 63 8.108 -3.375 9.392 1.00 0.00 H ATOM 406 HH12 ARG A 63 7.275 -7.029 11.018 1.00 0.00 H ATOM 407 HH11 ARG A 63 5.939 -5.827 10.885 1.00 0.00 H ATOM 408 HH22 ARG A 63 9.367 -6.487 10.360 1.00 0.00 H ATOM 409 HH21 ARG A 63 9.726 -4.854 9.690 1.00 0.00 H ATOM 410 H ARG A 63 3.727 -1.979 6.884 1.00 0.00 H ATOM 411 N SER A 64 7.147 -0.348 5.970 1.00 34.86 N ATOM 412 CA SER A 64 7.930 0.267 4.951 1.00 36.49 C ATOM 413 C SER A 64 9.305 -0.306 4.855 1.00 41.53 C ATOM 414 O SER A 64 10.053 0.026 3.929 1.00 37.29 O ATOM 415 CB SER A 64 8.027 1.740 5.209 1.00 41.41 C ATOM 416 OG SER A 64 8.578 2.002 6.484 1.00 45.00 O ATOM 417 HA SER A 64 7.428 0.074 4.003 1.00 0.00 H ATOM 418 HB2 SER A 64 7.030 2.177 5.156 1.00 0.00 H ATOM 419 HB3 SER A 64 8.662 2.193 4.447 1.00 0.00 H ATOM 420 HG SER A 64 8.629 2.981 6.625 1.00 0.00 H ATOM 421 H SER A 64 6.895 0.247 6.785 1.00 0.00 H ATOM 422 N ASP A 65 9.625 -1.216 5.763 1.00 35.80 N ATOM 423 CA ASP A 65 10.881 -1.904 5.712 1.00 33.91 C ATOM 424 C ASP A 65 10.831 -3.184 4.846 1.00 32.71 C ATOM 425 O ASP A 65 11.856 -3.758 4.543 1.00 29.86 O ATOM 426 CB ASP A 65 11.354 -2.201 7.175 1.00 37.77 C ATOM 427 CG ASP A 65 10.370 -3.050 7.982 1.00 33.25 C ATOM 428 OD1 ASP A 65 9.165 -2.792 7.997 1.00 33.21 O ATOM 429 OD2 ASP A 65 10.818 -4.039 8.588 1.00 37.09 O ATOM 430 HA ASP A 65 11.609 -1.259 5.220 1.00 0.00 H ATOM 431 HB2 ASP A 65 12.306 -2.730 7.128 1.00 0.00 H ATOM 432 HB3 ASP A 65 11.492 -1.251 7.691 1.00 0.00 H ATOM 433 H ASP A 65 8.953 -1.435 6.526 1.00 0.00 H ATOM 434 N LEU A 66 9.641 -3.652 4.505 1.00 32.58 N ATOM 435 CA LEU A 66 9.431 -4.837 3.712 1.00 33.96 C ATOM 436 C LEU A 66 9.515 -4.573 2.155 1.00 36.79 C ATOM 437 O LEU A 66 9.101 -3.526 1.672 1.00 30.39 O ATOM 438 CB LEU A 66 8.043 -5.386 4.025 1.00 35.14 C ATOM 439 CG LEU A 66 7.780 -5.686 5.498 1.00 36.10 C ATOM 440 CD1 LEU A 66 6.455 -6.432 5.632 1.00 35.81 C ATOM 441 CD2 LEU A 66 8.924 -6.527 5.995 1.00 36.75 C ATOM 442 HA LEU A 66 10.225 -5.539 3.968 1.00 0.00 H ATOM 443 HB2 LEU A 66 7.307 -4.653 3.693 1.00 0.00 H ATOM 444 HB3 LEU A 66 7.911 -6.311 3.463 1.00 0.00 H ATOM 445 HG LEU A 66 7.710 -4.771 6.086 1.00 0.00 H ATOM 446 HD21 LEU A 66 8.971 -7.451 5.419 1.00 0.00 H ATOM 447 HD22 LEU A 66 9.857 -5.975 5.877 1.00 0.00 H ATOM 448 HD23 LEU A 66 8.770 -6.762 7.048 1.00 0.00 H ATOM 449 HD11 LEU A 66 5.650 -5.814 5.235 1.00 0.00 H ATOM 450 HD12 LEU A 66 6.507 -7.366 5.072 1.00 0.00 H ATOM 451 HD13 LEU A 66 6.265 -6.647 6.684 1.00 0.00 H ATOM 452 H LEU A 66 8.802 -3.130 4.831 1.00 0.00 H ATOM 453 N PRO A 67 10.007 -5.553 1.394 1.00 36.50 N ATOM 454 CA PRO A 67 10.250 -5.340 -0.012 1.00 39.33 C ATOM 455 C PRO A 67 9.026 -5.631 -0.895 1.00 38.79 C ATOM 456 O PRO A 67 7.900 -5.958 -0.421 1.00 33.91 O ATOM 457 CB PRO A 67 11.353 -6.361 -0.290 1.00 38.05 C ATOM 458 CG PRO A 67 10.908 -7.531 0.489 1.00 39.43 C ATOM 459 CD PRO A 67 10.364 -6.926 1.774 1.00 39.00 C ATOM 460 HA PRO A 67 10.501 -4.303 -0.237 1.00 0.00 H ATOM 461 HD3 PRO A 67 9.487 -7.473 2.120 1.00 0.00 H ATOM 462 HD2 PRO A 67 11.124 -6.927 2.556 1.00 0.00 H ATOM 463 HG3 PRO A 67 11.743 -8.200 0.697 1.00 0.00 H ATOM 464 HG2 PRO A 67 10.130 -8.079 -0.043 1.00 0.00 H ATOM 465 HB2 PRO A 67 11.415 -6.595 -1.353 1.00 0.00 H ATOM 466 HB3 PRO A 67 12.321 -6.000 0.058 1.00 0.00 H ATOM 467 N ASP A 68 9.294 -5.557 -2.194 1.00 36.55 N ATOM 468 CA ASP A 68 8.282 -5.672 -3.256 1.00 32.88 C ATOM 469 C ASP A 68 7.676 -7.053 -3.324 1.00 28.19 C ATOM 470 O ASP A 68 8.286 -7.956 -2.832 1.00 29.24 O ATOM 471 CB ASP A 68 8.997 -5.393 -4.585 1.00 33.77 C ATOM 472 CG ASP A 68 9.950 -6.484 -4.951 1.00 29.87 C ATOM 473 OD1 ASP A 68 9.508 -7.530 -5.524 1.00 36.14 O ATOM 474 OD2 ASP A 68 11.154 -6.353 -4.622 1.00 33.01 O ATOM 475 HA ASP A 68 7.474 -4.969 -3.053 1.00 0.00 H ATOM 476 HB2 ASP A 68 8.250 -5.299 -5.373 1.00 0.00 H ATOM 477 HB3 ASP A 68 9.550 -4.458 -4.497 1.00 0.00 H ATOM 478 H ASP A 68 10.283 -5.408 -2.479 1.00 0.00 H ATOM 479 N ASP A 69 6.524 -7.225 -3.991 1.00 27.93 N ATOM 480 CA ASP A 69 5.832 -8.522 -4.115 1.00 28.90 C ATOM 481 C ASP A 69 6.588 -9.625 -4.717 1.00 31.73 C ATOM 482 O ASP A 69 6.336 -10.785 -4.397 1.00 33.17 O ATOM 483 CB ASP A 69 4.510 -8.425 -4.897 1.00 33.63 C ATOM 484 CG ASP A 69 3.517 -7.424 -4.281 1.00 36.39 C ATOM 485 OD1 ASP A 69 3.859 -6.849 -3.241 1.00 40.78 O ATOM 486 OD2 ASP A 69 2.404 -7.181 -4.831 1.00 36.97 O ATOM 487 HA ASP A 69 5.674 -8.761 -3.063 1.00 0.00 H ATOM 488 HB2 ASP A 69 4.732 -8.111 -5.917 1.00 0.00 H ATOM 489 HB3 ASP A 69 4.044 -9.410 -4.915 1.00 0.00 H ATOM 490 H ASP A 69 6.094 -6.395 -4.447 1.00 0.00 H ATOM 491 N GLY A 70 7.537 -9.297 -5.579 1.00 37.93 N ATOM 492 CA GLY A 70 8.347 -10.338 -6.230 1.00 33.84 C ATOM 493 C GLY A 70 9.351 -10.944 -5.279 1.00 33.57 C ATOM 494 O GLY A 70 9.520 -12.141 -5.258 1.00 31.41 O ATOM 495 HA3 GLY A 70 8.880 -9.896 -7.072 1.00 0.00 H ATOM 496 HA2 GLY A 70 7.685 -11.124 -6.593 1.00 0.00 H ATOM 497 H GLY A 70 7.711 -8.295 -5.798 1.00 0.00 H ATOM 498 N THR A 71 10.020 -10.115 -4.503 1.00 32.00 N ATOM 499 CA THR A 71 10.936 -10.625 -3.441 1.00 35.41 C ATOM 500 C THR A 71 10.167 -11.431 -2.391 1.00 35.50 C ATOM 501 O THR A 71 10.632 -12.451 -1.879 1.00 38.88 O ATOM 502 CB THR A 71 11.529 -9.451 -2.727 1.00 35.54 C ATOM 503 OG1 THR A 71 12.044 -8.546 -3.711 1.00 34.52 O ATOM 504 CG2 THR A 71 12.623 -9.891 -1.706 1.00 35.62 C ATOM 505 HA THR A 71 11.691 -11.254 -3.914 1.00 0.00 H ATOM 506 HB THR A 71 10.761 -8.949 -2.139 1.00 0.00 H ATOM 507 HG1 THR A 71 11.308 -8.250 -4.303 1.00 0.00 H ATOM 508 HG23 THR A 71 12.186 -10.576 -0.980 1.00 0.00 H ATOM 509 HG21 THR A 71 13.434 -10.390 -2.237 1.00 0.00 H ATOM 510 HG22 THR A 71 13.011 -9.013 -1.190 1.00 0.00 H ATOM 511 H THR A 71 9.908 -9.089 -4.633 1.00 0.00 H ATOM 512 N ILE A 72 8.952 -10.974 -2.106 1.00 35.02 N ATOM 513 CA ILE A 72 8.123 -11.695 -1.190 1.00 32.97 C ATOM 514 C ILE A 72 7.813 -13.073 -1.744 1.00 36.45 C ATOM 515 O ILE A 72 7.936 -14.062 -1.023 1.00 33.68 O ATOM 516 CB ILE A 72 6.863 -10.928 -0.824 1.00 31.59 C ATOM 517 CG1 ILE A 72 7.209 -9.656 -0.051 1.00 30.52 C ATOM 518 CG2 ILE A 72 5.953 -11.778 0.074 1.00 33.16 C ATOM 519 CD1 ILE A 72 5.971 -8.856 0.276 1.00 29.18 C ATOM 520 HA ILE A 72 8.676 -11.817 -0.259 1.00 0.00 H ATOM 521 HB ILE A 72 6.355 -10.680 -1.756 1.00 0.00 H ATOM 522 HG12 ILE A 72 7.710 -9.930 0.877 1.00 0.00 H ATOM 523 HG13 ILE A 72 7.878 -9.044 -0.656 1.00 0.00 H ATOM 524 HD11 ILE A 72 5.468 -8.573 -0.649 1.00 0.00 H ATOM 525 HD12 ILE A 72 5.300 -9.461 0.886 1.00 0.00 H ATOM 526 HD13 ILE A 72 6.255 -7.959 0.826 1.00 0.00 H ATOM 527 HG21 ILE A 72 5.671 -12.689 -0.455 1.00 0.00 H ATOM 528 HG22 ILE A 72 6.487 -12.037 0.988 1.00 0.00 H ATOM 529 HG23 ILE A 72 5.057 -11.209 0.324 1.00 0.00 H ATOM 530 H ILE A 72 8.606 -10.098 -2.546 1.00 0.00 H ATOM 531 N LEU A 73 7.479 -13.161 -3.035 1.00 40.12 N ATOM 532 CA LEU A 73 7.227 -14.480 -3.671 1.00 38.03 C ATOM 533 C LEU A 73 8.455 -15.388 -3.725 1.00 35.12 C ATOM 534 O LEU A 73 8.365 -16.578 -3.473 1.00 36.93 O ATOM 535 CB LEU A 73 6.639 -14.314 -5.078 1.00 38.46 C ATOM 536 CG LEU A 73 5.155 -14.037 -5.137 1.00 44.87 C ATOM 537 CD1 LEU A 73 4.778 -13.502 -6.518 1.00 50.56 C ATOM 538 CD2 LEU A 73 4.367 -15.302 -4.812 1.00 46.74 C ATOM 539 HA LEU A 73 6.501 -14.974 -3.025 1.00 0.00 H ATOM 540 HB2 LEU A 73 7.155 -13.484 -5.562 1.00 0.00 H ATOM 541 HB3 LEU A 73 6.831 -15.232 -5.633 1.00 0.00 H ATOM 542 HG LEU A 73 4.905 -13.281 -4.393 1.00 0.00 H ATOM 543 HD21 LEU A 73 4.614 -16.078 -5.536 1.00 0.00 H ATOM 544 HD22 LEU A 73 4.626 -15.643 -3.810 1.00 0.00 H ATOM 545 HD23 LEU A 73 3.300 -15.086 -4.859 1.00 0.00 H ATOM 546 HD11 LEU A 73 5.324 -12.578 -6.710 1.00 0.00 H ATOM 547 HD12 LEU A 73 5.036 -14.242 -7.276 1.00 0.00 H ATOM 548 HD13 LEU A 73 3.706 -13.306 -6.550 1.00 0.00 H ATOM 549 H LEU A 73 7.394 -12.294 -3.603 1.00 0.00 H ATOM 550 N LYS A 74 9.582 -14.808 -4.096 1.00 41.25 N ATOM 551 CA LYS A 74 10.911 -15.448 -4.045 1.00 44.53 C ATOM 552 C LYS A 74 11.161 -16.130 -2.695 1.00 45.44 C ATOM 553 O LYS A 74 11.618 -17.272 -2.619 1.00 48.08 O ATOM 554 CB LYS A 74 11.958 -14.334 -4.251 1.00 56.10 C ATOM 555 CG LYS A 74 13.203 -14.659 -5.069 1.00 66.17 C ATOM 556 CD LYS A 74 13.838 -13.389 -5.680 1.00 77.18 C ATOM 557 CE LYS A 74 13.050 -12.837 -6.887 1.00 84.49 C ATOM 558 NZ LYS A 74 13.638 -11.608 -7.516 1.00 81.35 N ATOM 559 HA LYS A 74 10.974 -16.217 -4.815 1.00 0.00 H ATOM 560 HB2 LYS A 74 11.454 -13.503 -4.745 1.00 0.00 H ATOM 561 HB3 LYS A 74 12.293 -14.018 -3.263 1.00 0.00 H ATOM 562 HG2 LYS A 74 13.934 -15.143 -4.421 1.00 0.00 H ATOM 563 HG3 LYS A 74 12.928 -15.339 -5.875 1.00 0.00 H ATOM 564 HD2 LYS A 74 13.880 -12.618 -4.911 1.00 0.00 H ATOM 565 HD3 LYS A 74 14.850 -13.630 -6.007 1.00 0.00 H ATOM 566 HE2 LYS A 74 12.041 -12.597 -6.552 1.00 0.00 H ATOM 567 HE3 LYS A 74 13.003 -13.617 -7.647 1.00 0.00 H ATOM 568 HZ1 LYS A 74 13.679 -10.845 -6.811 1.00 0.00 H ATOM 569 HZ2 LYS A 74 14.598 -11.819 -7.856 1.00 0.00 H ATOM 570 HZ3 LYS A 74 13.043 -11.311 -8.316 1.00 0.00 H ATOM 571 H LYS A 74 9.529 -13.831 -4.449 1.00 0.00 H ATOM 572 N THR A 75 10.879 -15.404 -1.614 1.00 45.42 N ATOM 573 CA THR A 75 11.124 -15.925 -0.259 1.00 41.41 C ATOM 574 C THR A 75 10.281 -17.166 -0.027 1.00 38.71 C ATOM 575 O THR A 75 10.748 -18.206 0.433 1.00 39.34 O ATOM 576 CB THR A 75 10.802 -14.840 0.792 1.00 44.68 C ATOM 577 OG1 THR A 75 11.701 -13.737 0.609 1.00 39.65 O ATOM 578 CG2 THR A 75 10.921 -15.387 2.230 1.00 44.83 C ATOM 579 HA THR A 75 12.175 -16.195 -0.161 1.00 0.00 H ATOM 580 HB THR A 75 9.771 -14.514 0.652 1.00 0.00 H ATOM 581 HG1 THR A 75 11.586 -13.367 -0.302 1.00 0.00 H ATOM 582 HG23 THR A 75 10.234 -16.224 2.357 1.00 0.00 H ATOM 583 HG21 THR A 75 11.943 -15.724 2.406 1.00 0.00 H ATOM 584 HG22 THR A 75 10.670 -14.598 2.939 1.00 0.00 H ATOM 585 H THR A 75 10.478 -14.451 -1.730 1.00 0.00 H ATOM 586 N ALA A 76 9.022 -17.069 -0.384 1.00 38.84 N ATOM 587 CA ALA A 76 8.132 -18.165 -0.146 1.00 38.03 C ATOM 588 C ALA A 76 8.614 -19.388 -0.904 1.00 42.16 C ATOM 589 O ALA A 76 8.571 -20.511 -0.431 1.00 36.10 O ATOM 590 CB ALA A 76 6.749 -17.778 -0.597 1.00 38.57 C ATOM 591 HA ALA A 76 8.109 -18.404 0.917 1.00 0.00 H ATOM 592 HB1 ALA A 76 6.416 -16.904 -0.036 1.00 0.00 H ATOM 593 HB2 ALA A 76 6.768 -17.543 -1.661 1.00 0.00 H ATOM 594 HB3 ALA A 76 6.065 -18.608 -0.419 1.00 0.00 H ATOM 595 H ALA A 76 8.673 -16.201 -0.837 1.00 0.00 H ATOM 596 N VAL A 77 9.050 -19.151 -2.123 1.00 45.32 N ATOM 597 CA VAL A 77 9.550 -20.241 -2.938 1.00 49.46 C ATOM 598 C VAL A 77 10.805 -20.816 -2.323 1.00 45.26 C ATOM 599 O VAL A 77 10.939 -22.023 -2.246 1.00 48.84 O ATOM 600 CB VAL A 77 9.771 -19.756 -4.392 1.00 49.43 C ATOM 601 CG1 VAL A 77 10.823 -20.596 -5.118 1.00 49.53 C ATOM 602 CG2 VAL A 77 8.421 -19.762 -5.099 1.00 44.60 C ATOM 603 HA VAL A 77 8.813 -21.044 -2.973 1.00 0.00 H ATOM 604 HB VAL A 77 10.170 -18.742 -4.392 1.00 0.00 H ATOM 605 HG11 VAL A 77 11.772 -20.527 -4.586 1.00 0.00 H ATOM 606 HG12 VAL A 77 10.497 -21.636 -5.149 1.00 0.00 H ATOM 607 HG13 VAL A 77 10.947 -20.222 -6.134 1.00 0.00 H ATOM 608 HG21 VAL A 77 8.015 -20.774 -5.096 1.00 0.00 H ATOM 609 HG22 VAL A 77 7.736 -19.093 -4.578 1.00 0.00 H ATOM 610 HG23 VAL A 77 8.549 -19.424 -6.127 1.00 0.00 H ATOM 611 H VAL A 77 9.036 -18.182 -2.501 1.00 0.00 H ATOM 612 N ASN A 78 11.723 -19.950 -1.893 1.00 49.39 N ATOM 613 CA ASN A 78 12.948 -20.402 -1.212 1.00 46.95 C ATOM 614 C ASN A 78 12.652 -21.247 -0.009 1.00 51.38 C ATOM 615 O ASN A 78 13.334 -22.217 0.270 1.00 49.20 O ATOM 616 CB ASN A 78 13.738 -19.229 -0.704 1.00 47.81 C ATOM 617 CG ASN A 78 14.387 -18.452 -1.802 1.00 52.38 C ATOM 618 OD1 ASN A 78 14.394 -18.879 -2.956 1.00 55.48 O ATOM 619 ND2 ASN A 78 14.927 -17.275 -1.456 1.00 58.31 N ATOM 620 HA ASN A 78 13.500 -20.977 -1.955 1.00 0.00 H ATOM 621 HB2 ASN A 78 13.067 -18.567 -0.157 1.00 0.00 H ATOM 622 HB3 ASN A 78 14.513 -19.595 -0.031 1.00 0.00 H ATOM 623 HD22 ASN A 78 14.895 -16.959 -0.466 1.00 0.00 H ATOM 624 HD21 ASN A 78 15.378 -16.678 -2.178 1.00 0.00 H ATOM 625 H ASN A 78 11.570 -18.932 -2.042 1.00 0.00 H ATOM 626 N VAL A 79 11.626 -20.822 0.705 1.00 52.16 N ATOM 627 CA VAL A 79 11.150 -21.473 1.909 1.00 59.85 C ATOM 628 C VAL A 79 10.559 -22.882 1.635 1.00 57.85 C ATOM 629 O VAL A 79 10.757 -23.824 2.392 1.00 57.76 O ATOM 630 CB VAL A 79 10.136 -20.511 2.597 1.00 59.25 C ATOM 631 CG1 VAL A 79 9.145 -21.257 3.440 1.00 65.25 C ATOM 632 CG2 VAL A 79 10.868 -19.458 3.413 1.00 54.07 C ATOM 633 HA VAL A 79 11.986 -21.662 2.582 1.00 0.00 H ATOM 634 HB VAL A 79 9.573 -20.007 1.812 1.00 0.00 H ATOM 635 HG11 VAL A 79 8.587 -21.952 2.813 1.00 0.00 H ATOM 636 HG12 VAL A 79 9.674 -21.810 4.216 1.00 0.00 H ATOM 637 HG13 VAL A 79 8.457 -20.549 3.901 1.00 0.00 H ATOM 638 HG21 VAL A 79 11.468 -19.947 4.180 1.00 0.00 H ATOM 639 HG22 VAL A 79 11.517 -18.878 2.757 1.00 0.00 H ATOM 640 HG23 VAL A 79 10.142 -18.796 3.885 1.00 0.00 H ATOM 641 H VAL A 79 11.129 -19.967 0.383 1.00 0.00 H ATOM 642 N ALA A 80 9.830 -23.029 0.550 1.00 57.64 N ATOM 643 CA ALA A 80 9.340 -24.336 0.189 1.00 58.01 C ATOM 644 C ALA A 80 10.531 -25.251 -0.208 1.00 61.30 C ATOM 645 O ALA A 80 10.542 -26.429 0.102 1.00 66.34 O ATOM 646 CB ALA A 80 8.320 -24.202 -0.936 1.00 60.39 C ATOM 647 HA ALA A 80 8.840 -24.800 1.039 1.00 0.00 H ATOM 648 HB1 ALA A 80 7.489 -23.582 -0.600 1.00 0.00 H ATOM 649 HB2 ALA A 80 8.794 -23.739 -1.801 1.00 0.00 H ATOM 650 HB3 ALA A 80 7.950 -25.190 -1.209 1.00 0.00 H ATOM 651 H ALA A 80 9.608 -22.206 -0.045 1.00 0.00 H ATOM 652 N VAL A 81 11.533 -24.703 -0.877 1.00 55.01 N ATOM 653 CA VAL A 81 12.739 -25.444 -1.232 1.00 60.52 C ATOM 654 C VAL A 81 13.514 -25.899 0.001 1.00 68.84 C ATOM 655 O VAL A 81 13.982 -27.037 0.062 1.00 71.54 O ATOM 656 CB VAL A 81 13.647 -24.548 -2.097 1.00 64.41 C ATOM 657 CG1 VAL A 81 15.100 -25.009 -2.113 1.00 58.31 C ATOM 658 CG2 VAL A 81 13.058 -24.421 -3.500 1.00 61.62 C ATOM 659 HA VAL A 81 12.435 -26.334 -1.783 1.00 0.00 H ATOM 660 HB VAL A 81 13.674 -23.558 -1.642 1.00 0.00 H ATOM 661 HG11 VAL A 81 15.495 -24.998 -1.097 1.00 0.00 H ATOM 662 HG12 VAL A 81 15.154 -26.021 -2.514 1.00 0.00 H ATOM 663 HG13 VAL A 81 15.686 -24.337 -2.739 1.00 0.00 H ATOM 664 HG21 VAL A 81 12.987 -25.410 -3.954 1.00 0.00 H ATOM 665 HG22 VAL A 81 12.065 -23.976 -3.437 1.00 0.00 H ATOM 666 HG23 VAL A 81 13.703 -23.787 -4.108 1.00 0.00 H ATOM 667 H VAL A 81 11.458 -23.705 -1.161 1.00 0.00 H ATOM 668 N GLN A 82 13.649 -25.013 0.982 1.00 74.75 N ATOM 669 CA GLN A 82 14.245 -25.372 2.273 1.00 78.82 C ATOM 670 C GLN A 82 13.564 -26.596 2.839 1.00 80.98 C ATOM 671 O GLN A 82 14.157 -27.305 3.634 1.00 95.20 O ATOM 672 CB GLN A 82 14.070 -24.279 3.321 1.00 85.43 C ATOM 673 CG GLN A 82 14.465 -22.886 2.883 1.00 97.60 C ATOM 674 CD GLN A 82 15.744 -22.416 3.502 1.00103.08 C ATOM 675 OE1 GLN A 82 15.748 -21.878 4.619 1.00106.57 O ATOM 676 NE2 GLN A 82 16.843 -22.589 2.773 1.00111.28 N ATOM 677 HA GLN A 82 15.304 -25.537 2.075 1.00 0.00 H ATOM 678 HB2 GLN A 82 13.019 -24.255 3.609 1.00 0.00 H ATOM 679 HB3 GLN A 82 14.677 -24.544 4.187 1.00 0.00 H ATOM 680 HG2 GLN A 82 14.582 -22.883 1.799 1.00 0.00 H ATOM 681 HG3 GLN A 82 13.670 -22.195 3.163 1.00 0.00 H ATOM 682 HE22 GLN A 82 16.782 -23.047 1.841 1.00 0.00 H ATOM 683 HE21 GLN A 82 17.763 -22.266 3.135 1.00 0.00 H ATOM 684 H GLN A 82 13.323 -24.037 0.830 1.00 0.00 H ATOM 685 N LYS A 83 12.294 -26.795 2.488 1.00 78.92 N ATOM 686 CA LYS A 83 11.526 -27.948 2.939 1.00 70.04 C ATOM 687 C LYS A 83 11.558 -29.103 1.951 1.00 69.58 C ATOM 688 O LYS A 83 10.884 -30.089 2.165 1.00 63.65 O ATOM 689 CB LYS A 83 10.077 -27.532 3.194 1.00 71.78 C ATOM 690 CG LYS A 83 9.946 -26.543 4.341 1.00 76.96 C ATOM 691 CD LYS A 83 8.489 -26.336 4.737 1.00 84.76 C ATOM 692 CE LYS A 83 8.291 -26.155 6.241 1.00 85.88 C ATOM 693 NZ LYS A 83 6.838 -26.171 6.608 1.00 86.73 N ATOM 694 HA LYS A 83 11.990 -28.301 3.860 1.00 0.00 H ATOM 695 HB2 LYS A 83 9.681 -27.072 2.289 1.00 0.00 H ATOM 696 HB3 LYS A 83 9.495 -28.422 3.432 1.00 0.00 H ATOM 697 HG2 LYS A 83 10.497 -26.923 5.201 1.00 0.00 H ATOM 698 HG3 LYS A 83 10.369 -25.586 4.034 1.00 0.00 H ATOM 699 HD2 LYS A 83 8.115 -25.447 4.229 1.00 0.00 H ATOM 700 HD3 LYS A 83 7.916 -27.205 4.414 1.00 0.00 H ATOM 701 HE2 LYS A 83 8.723 -25.201 6.543 1.00 0.00 H ATOM 702 HE3 LYS A 83 8.798 -26.965 6.766 1.00 0.00 H ATOM 703 HZ1 LYS A 83 6.349 -25.397 6.115 1.00 0.00 H ATOM 704 HZ2 LYS A 83 6.421 -27.081 6.327 1.00 0.00 H ATOM 705 HZ3 LYS A 83 6.740 -26.046 7.636 1.00 0.00 H ATOM 706 H LYS A 83 11.833 -26.100 1.867 1.00 0.00 H ATOM 707 N GLY A 84 12.350 -28.986 0.886 1.00 73.90 N ATOM 708 CA GLY A 84 12.297 -29.922 -0.240 1.00 73.71 C ATOM 709 C GLY A 84 10.889 -30.092 -0.775 1.00 75.80 C ATOM 710 O GLY A 84 10.318 -31.176 -0.689 1.00 87.68 O ATOM 711 HA3 GLY A 84 12.667 -30.892 0.092 1.00 0.00 H ATOM 712 HA2 GLY A 84 12.934 -29.546 -1.040 1.00 0.00 H ATOM 713 H GLY A 84 13.031 -28.201 0.853 1.00 0.00 H ATOM 714 N TRP A 85 10.321 -29.011 -1.296 1.00 72.24 N ATOM 715 CA TRP A 85 8.983 -29.020 -1.886 1.00 71.29 C ATOM 716 C TRP A 85 9.112 -28.721 -3.376 1.00 68.11 C ATOM 717 O TRP A 85 9.997 -27.968 -3.807 1.00 72.38 O ATOM 718 CB TRP A 85 8.057 -27.964 -1.234 1.00 71.50 C ATOM 719 CG TRP A 85 7.463 -28.314 0.120 1.00 69.95 C ATOM 720 CD1 TRP A 85 7.590 -29.493 0.794 1.00 69.06 C ATOM 721 CD2 TRP A 85 6.615 -27.474 0.940 1.00 68.73 C ATOM 722 NE1 TRP A 85 6.887 -29.444 1.979 1.00 65.70 N ATOM 723 CE2 TRP A 85 6.271 -28.223 2.091 1.00 67.04 C ATOM 724 CE3 TRP A 85 6.116 -26.159 0.815 1.00 65.47 C ATOM 725 CZ2 TRP A 85 5.447 -27.698 3.126 1.00 62.86 C ATOM 726 CZ3 TRP A 85 5.288 -25.645 1.840 1.00 60.88 C ATOM 727 CH2 TRP A 85 4.971 -26.416 2.978 1.00 58.26 C ATOM 728 HA TRP A 85 8.538 -30.000 -1.717 1.00 0.00 H ATOM 729 HB2 TRP A 85 8.635 -27.048 -1.114 1.00 0.00 H ATOM 730 HB3 TRP A 85 7.230 -27.782 -1.920 1.00 0.00 H ATOM 731 HE1 TRP A 85 6.832 -30.212 2.678 1.00 0.00 H ATOM 732 HD1 TRP A 85 8.165 -30.351 0.446 1.00 0.00 H ATOM 733 HZ2 TRP A 85 5.201 -28.292 4.006 1.00 0.00 H ATOM 734 HH2 TRP A 85 4.337 -25.988 3.754 1.00 0.00 H ATOM 735 HZ3 TRP A 85 4.888 -24.635 1.749 1.00 0.00 H ATOM 736 HE3 TRP A 85 6.364 -25.551 -0.055 1.00 0.00 H ATOM 737 H TRP A 85 10.852 -28.117 -1.284 1.00 0.00 H ATOM 738 N ASP A 86 8.212 -29.300 -4.157 1.00 66.89 N ATOM 739 CA ASP A 86 8.234 -29.142 -5.599 1.00 66.84 C ATOM 740 C ASP A 86 7.544 -27.834 -6.006 1.00 60.31 C ATOM 741 O ASP A 86 6.312 -27.717 -6.034 1.00 60.05 O ATOM 742 CB ASP A 86 7.575 -30.360 -6.252 1.00 73.51 C ATOM 743 CG ASP A 86 7.692 -30.350 -7.754 1.00 80.23 C ATOM 744 OD1 ASP A 86 8.383 -29.463 -8.312 1.00 85.87 O ATOM 745 OD2 ASP A 86 7.077 -31.235 -8.378 1.00 89.00 O ATOM 746 HA ASP A 86 9.265 -29.083 -5.947 1.00 0.00 H ATOM 747 HB2 ASP A 86 8.054 -31.262 -5.871 1.00 0.00 H ATOM 748 HB3 ASP A 86 6.518 -30.370 -5.984 1.00 0.00 H ATOM 749 H ASP A 86 7.469 -29.884 -3.724 1.00 0.00 H ATOM 750 N THR A 87 8.345 -26.840 -6.333 1.00 57.35 N ATOM 751 CA THR A 87 7.796 -25.517 -6.549 1.00 65.31 C ATOM 752 C THR A 87 7.307 -25.342 -7.970 1.00 71.80 C ATOM 753 O THR A 87 6.712 -24.308 -8.331 1.00 63.57 O ATOM 754 CB THR A 87 8.849 -24.463 -6.251 1.00 72.39 C ATOM 755 OG1 THR A 87 9.832 -24.490 -7.289 1.00 73.51 O ATOM 756 CG2 THR A 87 9.509 -24.722 -4.864 1.00 70.09 C ATOM 757 HA THR A 87 6.947 -25.399 -5.876 1.00 0.00 H ATOM 758 HB THR A 87 8.381 -23.479 -6.216 1.00 0.00 H ATOM 759 HG1 THR A 87 10.524 -23.806 -7.105 1.00 0.00 H ATOM 760 HG23 THR A 87 8.743 -24.697 -4.088 1.00 0.00 H ATOM 761 HG21 THR A 87 9.991 -25.700 -4.869 1.00 0.00 H ATOM 762 HG22 THR A 87 10.253 -23.950 -4.667 1.00 0.00 H ATOM 763 H THR A 87 9.367 -27.005 -6.436 1.00 0.00 H ATOM 764 N GLY A 88 7.589 -26.366 -8.773 1.00 80.75 N ATOM 765 CA GLY A 88 7.103 -26.470 -10.129 1.00 76.61 C ATOM 766 C GLY A 88 5.597 -26.574 -10.167 1.00 78.01 C ATOM 767 O GLY A 88 4.989 -26.327 -11.208 1.00 88.90 O ATOM 768 HA3 GLY A 88 7.532 -27.358 -10.593 1.00 0.00 H ATOM 769 HA2 GLY A 88 7.412 -25.585 -10.686 1.00 0.00 H ATOM 770 H GLY A 88 8.190 -27.130 -8.405 1.00 0.00 H ATOM 771 N ARG A 89 4.978 -26.914 -9.044 1.00 73.52 N ATOM 772 CA ARG A 89 3.515 -26.915 -8.970 1.00 72.22 C ATOM 773 C ARG A 89 2.892 -25.578 -8.475 1.00 60.80 C ATOM 774 O ARG A 89 1.693 -25.515 -8.223 1.00 45.06 O ATOM 775 CB ARG A 89 3.065 -28.081 -8.098 1.00 75.60 C ATOM 776 CG ARG A 89 3.594 -29.410 -8.609 1.00 84.07 C ATOM 777 CD ARG A 89 3.142 -30.585 -7.759 1.00 87.81 C ATOM 778 NE ARG A 89 1.688 -30.764 -7.762 1.00 90.64 N ATOM 779 CZ ARG A 89 1.056 -31.809 -7.227 1.00 84.96 C ATOM 780 NH1 ARG A 89 1.744 -32.784 -6.648 1.00 82.37 N ATOM 781 NH2 ARG A 89 -0.273 -31.882 -7.273 1.00 78.27 N ATOM 782 HA ARG A 89 3.147 -27.030 -9.990 1.00 0.00 H ATOM 783 HB2 ARG A 89 3.430 -27.923 -7.083 1.00 0.00 H ATOM 784 HB3 ARG A 89 1.976 -28.115 -8.090 1.00 0.00 H ATOM 785 HG2 ARG A 89 3.238 -29.559 -9.628 1.00 0.00 H ATOM 786 HG3 ARG A 89 4.683 -29.376 -8.607 1.00 0.00 H ATOM 787 HD2 ARG A 89 3.470 -30.419 -6.733 1.00 0.00 H ATOM 788 HD3 ARG A 89 3.605 -31.493 -8.145 1.00 0.00 H ATOM 789 HE ARG A 89 1.110 -30.026 -8.212 1.00 0.00 H ATOM 790 HH12 ARG A 89 1.245 -33.597 -6.232 1.00 0.00 H ATOM 791 HH11 ARG A 89 2.782 -32.736 -6.610 1.00 0.00 H ATOM 792 HH22 ARG A 89 -0.764 -32.698 -6.855 1.00 0.00 H ATOM 793 HH21 ARG A 89 -0.820 -31.123 -7.727 1.00 0.00 H ATOM 794 H ARG A 89 5.536 -27.182 -8.209 1.00 0.00 H ATOM 795 N TYR A 90 3.686 -24.509 -8.398 1.00 60.66 N ATOM 796 CA TYR A 90 3.223 -23.241 -7.785 1.00 61.81 C ATOM 797 C TYR A 90 2.710 -22.201 -8.787 1.00 62.47 C ATOM 798 O TYR A 90 2.930 -20.998 -8.629 1.00 51.87 O ATOM 799 CB TYR A 90 4.338 -22.626 -6.899 1.00 59.40 C ATOM 800 CG TYR A 90 4.737 -23.450 -5.671 1.00 52.76 C ATOM 801 CD1 TYR A 90 3.976 -24.556 -5.242 1.00 49.74 C ATOM 802 CD2 TYR A 90 5.853 -23.101 -4.934 1.00 47.73 C ATOM 803 CE1 TYR A 90 4.333 -25.290 -4.125 1.00 51.56 C ATOM 804 CE2 TYR A 90 6.223 -23.838 -3.820 1.00 53.18 C ATOM 805 CZ TYR A 90 5.456 -24.922 -3.421 1.00 50.93 C ATOM 806 OH TYR A 90 5.818 -25.627 -2.322 1.00 51.86 O ATOM 807 HA TYR A 90 2.363 -23.512 -7.172 1.00 0.00 H ATOM 808 HB3 TYR A 90 3.992 -21.652 -6.552 1.00 0.00 H ATOM 809 HB2 TYR A 90 5.225 -22.495 -7.518 1.00 0.00 H ATOM 810 HD2 TYR A 90 6.448 -22.238 -5.232 1.00 0.00 H ATOM 811 HE2 TYR A 90 7.116 -23.566 -3.258 1.00 0.00 H ATOM 812 HE1 TYR A 90 3.735 -26.145 -3.808 1.00 0.00 H ATOM 813 HD1 TYR A 90 3.086 -24.840 -5.803 1.00 0.00 H ATOM 814 HH TYR A 90 5.171 -26.362 -2.175 1.00 0.00 H ATOM 815 H TYR A 90 4.653 -24.566 -8.777 1.00 0.00 H ATOM 816 N GLN A 91 1.961 -22.684 -9.772 1.00 70.45 N ATOM 817 CA GLN A 91 1.457 -21.863 -10.869 1.00 66.53 C ATOM 818 C GLN A 91 0.438 -20.854 -10.355 1.00 55.80 C ATOM 819 O GLN A 91 0.470 -19.684 -10.722 1.00 51.04 O ATOM 820 CB GLN A 91 0.821 -22.767 -11.947 1.00 70.80 C ATOM 821 CG GLN A 91 1.813 -23.768 -12.591 1.00 79.10 C ATOM 822 CD GLN A 91 1.738 -25.236 -12.099 1.00 76.68 C ATOM 823 OE1 GLN A 91 1.021 -25.581 -11.158 1.00 85.14 O ATOM 824 NE2 GLN A 91 2.485 -26.108 -12.770 1.00 81.49 N ATOM 825 HA GLN A 91 2.289 -21.314 -11.311 1.00 0.00 H ATOM 826 HB2 GLN A 91 0.012 -23.333 -11.487 1.00 0.00 H ATOM 827 HB3 GLN A 91 0.416 -22.131 -12.734 1.00 0.00 H ATOM 828 HG2 GLN A 91 1.630 -23.770 -13.666 1.00 0.00 H ATOM 829 HG3 GLN A 91 2.822 -23.405 -12.396 1.00 0.00 H ATOM 830 HE22 GLN A 91 3.079 -25.784 -13.560 1.00 0.00 H ATOM 831 HE21 GLN A 91 2.475 -27.114 -12.505 1.00 0.00 H ATOM 832 H GLN A 91 1.722 -23.696 -9.761 1.00 0.00 H ATOM 833 N SER A 92 -0.475 -21.334 -9.521 1.00 50.97 N ATOM 834 CA SER A 92 -1.540 -20.524 -8.951 1.00 51.69 C ATOM 835 C SER A 92 -1.096 -19.611 -7.785 1.00 49.62 C ATOM 836 O SER A 92 -1.877 -18.780 -7.329 1.00 46.61 O ATOM 837 CB SER A 92 -2.629 -21.465 -8.453 1.00 60.14 C ATOM 838 OG SER A 92 -2.075 -22.606 -7.791 1.00 68.07 O ATOM 839 HA SER A 92 -1.888 -19.856 -9.739 1.00 0.00 H ATOM 840 HB2 SER A 92 -3.222 -21.802 -9.303 1.00 0.00 H ATOM 841 HB3 SER A 92 -3.270 -20.927 -7.755 1.00 0.00 H ATOM 842 HG SER A 92 -2.808 -23.195 -7.481 1.00 0.00 H ATOM 843 H SER A 92 -0.427 -22.340 -9.262 1.00 0.00 H ATOM 844 N LEU A 93 0.157 -19.733 -7.338 1.00 44.10 N ATOM 845 CA LEU A 93 0.548 -19.150 -6.059 1.00 45.63 C ATOM 846 C LEU A 93 0.400 -17.631 -6.082 1.00 42.53 C ATOM 847 O LEU A 93 -0.318 -17.082 -5.253 1.00 43.75 O ATOM 848 CB LEU A 93 1.957 -19.621 -5.636 1.00 47.10 C ATOM 849 CG LEU A 93 2.666 -18.939 -4.445 1.00 49.74 C ATOM 850 CD1 LEU A 93 1.868 -19.096 -3.154 1.00 54.77 C ATOM 851 CD2 LEU A 93 4.075 -19.472 -4.247 1.00 47.85 C ATOM 852 HA LEU A 93 -0.134 -19.512 -5.289 1.00 0.00 H ATOM 853 HB2 LEU A 93 1.877 -20.680 -5.392 1.00 0.00 H ATOM 854 HB3 LEU A 93 2.606 -19.497 -6.503 1.00 0.00 H ATOM 855 HG LEU A 93 2.731 -17.878 -4.688 1.00 0.00 H ATOM 856 HD21 LEU A 93 4.033 -20.544 -4.053 1.00 0.00 H ATOM 857 HD22 LEU A 93 4.662 -19.287 -5.147 1.00 0.00 H ATOM 858 HD23 LEU A 93 4.538 -18.966 -3.400 1.00 0.00 H ATOM 859 HD11 LEU A 93 0.886 -18.640 -3.278 1.00 0.00 H ATOM 860 HD12 LEU A 93 1.752 -20.156 -2.926 1.00 0.00 H ATOM 861 HD13 LEU A 93 2.398 -18.604 -2.339 1.00 0.00 H ATOM 862 H LEU A 93 0.860 -20.248 -7.906 1.00 0.00 H ATOM 863 N PRO A 94 1.020 -16.951 -7.076 1.00 47.04 N ATOM 864 CA PRO A 94 0.911 -15.488 -7.206 1.00 39.92 C ATOM 865 C PRO A 94 -0.508 -14.963 -7.174 1.00 42.81 C ATOM 866 O PRO A 94 -0.776 -13.989 -6.481 1.00 39.90 O ATOM 867 CB PRO A 94 1.524 -15.229 -8.575 1.00 43.88 C ATOM 868 CG PRO A 94 2.500 -16.353 -8.746 1.00 42.52 C ATOM 869 CD PRO A 94 1.743 -17.529 -8.232 1.00 42.67 C ATOM 870 HA PRO A 94 1.398 -14.985 -6.371 1.00 0.00 H ATOM 871 HD3 PRO A 94 1.050 -17.912 -8.981 1.00 0.00 H ATOM 872 HD2 PRO A 94 2.416 -18.327 -7.919 1.00 0.00 H ATOM 873 HG3 PRO A 94 3.404 -16.181 -8.161 1.00 0.00 H ATOM 874 HG2 PRO A 94 2.767 -16.485 -9.794 1.00 0.00 H ATOM 875 HB2 PRO A 94 0.762 -15.254 -9.354 1.00 0.00 H ATOM 876 HB3 PRO A 94 2.033 -14.265 -8.597 1.00 0.00 H ATOM 877 N GLN A 95 -1.422 -15.627 -7.884 1.00 38.64 N ATOM 878 CA GLN A 95 -2.793 -15.184 -7.951 1.00 41.90 C ATOM 879 C GLN A 95 -3.569 -15.444 -6.649 1.00 39.23 C ATOM 880 O GLN A 95 -4.444 -14.676 -6.272 1.00 40.83 O ATOM 881 CB GLN A 95 -3.517 -15.920 -9.097 1.00 44.29 C ATOM 882 CG GLN A 95 -4.936 -15.413 -9.354 1.00 52.62 C ATOM 883 CD GLN A 95 -4.986 -13.944 -9.834 1.00 62.70 C ATOM 884 OE1 GLN A 95 -4.705 -13.651 -11.013 1.00 76.95 O ATOM 885 NE2 GLN A 95 -5.325 -13.011 -8.913 1.00 60.02 N ATOM 886 HA GLN A 95 -2.767 -14.108 -8.120 1.00 0.00 H ATOM 887 HB2 GLN A 95 -2.935 -15.792 -10.010 1.00 0.00 H ATOM 888 HB3 GLN A 95 -3.570 -16.979 -8.846 1.00 0.00 H ATOM 889 HG2 GLN A 95 -5.395 -16.042 -10.117 1.00 0.00 H ATOM 890 HG3 GLN A 95 -5.505 -15.494 -8.428 1.00 0.00 H ATOM 891 HE22 GLN A 95 -5.552 -13.299 -7.940 1.00 0.00 H ATOM 892 HE21 GLN A 95 -5.358 -12.006 -9.179 1.00 0.00 H ATOM 893 H GLN A 95 -1.139 -16.484 -8.401 1.00 0.00 H ATOM 894 N LEU A 96 -3.322 -16.583 -6.035 1.00 41.93 N ATOM 895 CA LEU A 96 -4.004 -16.902 -4.775 1.00 45.56 C ATOM 896 C LEU A 96 -3.543 -15.910 -3.710 1.00 43.36 C ATOM 897 O LEU A 96 -4.358 -15.297 -3.062 1.00 42.59 O ATOM 898 CB LEU A 96 -3.742 -18.347 -4.346 1.00 45.23 C ATOM 899 CG LEU A 96 -4.434 -18.790 -3.045 1.00 45.27 C ATOM 900 CD1 LEU A 96 -5.939 -18.756 -3.204 1.00 43.90 C ATOM 901 CD2 LEU A 96 -3.947 -20.153 -2.615 1.00 43.77 C ATOM 902 HA LEU A 96 -5.082 -16.813 -4.912 1.00 0.00 H ATOM 903 HB2 LEU A 96 -4.083 -19.002 -5.148 1.00 0.00 H ATOM 904 HB3 LEU A 96 -2.667 -18.468 -4.212 1.00 0.00 H ATOM 905 HG LEU A 96 -4.171 -18.087 -2.255 1.00 0.00 H ATOM 906 HD21 LEU A 96 -4.169 -20.880 -3.396 1.00 0.00 H ATOM 907 HD22 LEU A 96 -2.871 -20.116 -2.446 1.00 0.00 H ATOM 908 HD23 LEU A 96 -4.451 -20.443 -1.693 1.00 0.00 H ATOM 909 HD11 LEU A 96 -6.255 -17.741 -3.445 1.00 0.00 H ATOM 910 HD12 LEU A 96 -6.233 -19.430 -4.009 1.00 0.00 H ATOM 911 HD13 LEU A 96 -6.409 -19.073 -2.273 1.00 0.00 H ATOM 912 H LEU A 96 -2.643 -17.257 -6.443 1.00 0.00 H ATOM 913 N SER A 97 -2.235 -15.729 -3.583 1.00 41.52 N ATOM 914 CA SER A 97 -1.696 -14.644 -2.747 1.00 39.70 C ATOM 915 C SER A 97 -2.403 -13.296 -2.897 1.00 41.69 C ATOM 916 O SER A 97 -2.803 -12.667 -1.888 1.00 35.73 O ATOM 917 CB SER A 97 -0.247 -14.447 -3.075 1.00 39.44 C ATOM 918 OG SER A 97 0.413 -15.660 -2.858 1.00 47.96 O ATOM 919 HA SER A 97 -1.857 -14.965 -1.718 1.00 0.00 H ATOM 920 HB2 SER A 97 0.176 -13.675 -2.433 1.00 0.00 H ATOM 921 HB3 SER A 97 -0.141 -14.149 -4.118 1.00 0.00 H ATOM 922 HG SER A 97 0.021 -16.357 -3.442 1.00 0.00 H ATOM 923 H SER A 97 -1.580 -16.364 -4.082 1.00 0.00 H ATOM 924 N GLU A 98 -2.535 -12.825 -4.142 1.00 40.90 N ATOM 925 CA GLU A 98 -3.196 -11.558 -4.369 1.00 41.62 C ATOM 926 C GLU A 98 -4.674 -11.671 -4.027 1.00 39.59 C ATOM 927 O GLU A 98 -5.252 -10.695 -3.530 1.00 42.02 O ATOM 928 CB GLU A 98 -2.970 -10.978 -5.790 1.00 43.57 C ATOM 929 CG GLU A 98 -3.583 -9.564 -6.001 1.00 46.24 C ATOM 930 CD GLU A 98 -2.809 -8.341 -5.387 1.00 50.71 C ATOM 931 OE1 GLU A 98 -1.603 -8.466 -5.049 1.00 52.08 O ATOM 932 OE2 GLU A 98 -3.401 -7.202 -5.258 1.00 48.06 O ATOM 933 HA GLU A 98 -2.733 -10.835 -3.698 1.00 0.00 H ATOM 934 HB2 GLU A 98 -1.897 -10.917 -5.969 1.00 0.00 H ATOM 935 HB3 GLU A 98 -3.419 -11.658 -6.514 1.00 0.00 H ATOM 936 HG2 GLU A 98 -3.659 -9.397 -7.075 1.00 0.00 H ATOM 937 HG3 GLU A 98 -4.582 -9.572 -5.564 1.00 0.00 H ATOM 938 H GLU A 98 -2.163 -13.369 -4.946 1.00 0.00 H ATOM 939 N ASN A 99 -5.295 -12.824 -4.271 1.00 39.44 N ATOM 940 CA ASN A 99 -6.717 -13.016 -3.868 1.00 40.62 C ATOM 941 C ASN A 99 -6.925 -13.028 -2.329 1.00 40.04 C ATOM 942 O ASN A 99 -7.907 -12.506 -1.828 1.00 37.70 O ATOM 943 CB ASN A 99 -7.295 -14.319 -4.426 1.00 44.07 C ATOM 944 CG ASN A 99 -7.684 -14.220 -5.903 1.00 51.71 C ATOM 945 OD1 ASN A 99 -7.486 -13.207 -6.587 1.00 56.01 O ATOM 946 ND2 ASN A 99 -8.248 -15.280 -6.397 1.00 55.85 N ATOM 947 HA ASN A 99 -7.238 -12.156 -4.288 1.00 0.00 H ATOM 948 HB2 ASN A 99 -6.548 -15.105 -4.316 1.00 0.00 H ATOM 949 HB3 ASN A 99 -8.183 -14.580 -3.850 1.00 0.00 H ATOM 950 HD22 ASN A 99 -8.401 -16.115 -5.797 1.00 0.00 H ATOM 951 HD21 ASN A 99 -8.547 -15.294 -7.393 1.00 0.00 H ATOM 952 H ASN A 99 -4.784 -13.595 -4.746 1.00 0.00 H ATOM 953 N LEU A 100 -6.022 -13.681 -1.605 1.00 38.96 N ATOM 954 CA LEU A 100 -6.066 -13.643 -0.127 1.00 37.38 C ATOM 955 C LEU A 100 -5.808 -12.219 0.386 1.00 35.30 C ATOM 956 O LEU A 100 -6.517 -11.764 1.277 1.00 41.75 O ATOM 957 CB LEU A 100 -5.077 -14.632 0.449 1.00 36.51 C ATOM 958 CG LEU A 100 -5.443 -16.093 0.172 1.00 36.72 C ATOM 959 CD1 LEU A 100 -4.338 -17.083 0.551 1.00 34.74 C ATOM 960 CD2 LEU A 100 -6.702 -16.439 0.921 1.00 39.47 C ATOM 961 HA LEU A 100 -7.063 -13.933 0.206 1.00 0.00 H ATOM 962 HB2 LEU A 100 -4.097 -14.433 0.015 1.00 0.00 H ATOM 963 HB3 LEU A 100 -5.031 -14.486 1.528 1.00 0.00 H ATOM 964 HG LEU A 100 -5.587 -16.183 -0.905 1.00 0.00 H ATOM 965 HD21 LEU A 100 -6.538 -16.299 1.989 1.00 0.00 H ATOM 966 HD22 LEU A 100 -7.511 -15.789 0.588 1.00 0.00 H ATOM 967 HD23 LEU A 100 -6.965 -17.479 0.726 1.00 0.00 H ATOM 968 HD11 LEU A 100 -3.438 -16.858 -0.021 1.00 0.00 H ATOM 969 HD12 LEU A 100 -4.124 -16.996 1.616 1.00 0.00 H ATOM 970 HD13 LEU A 100 -4.668 -18.097 0.327 1.00 0.00 H ATOM 971 H LEU A 100 -5.276 -14.225 -2.083 1.00 0.00 H ATOM 972 N TYR A 101 -4.847 -11.488 -0.189 1.00 31.81 N ATOM 973 CA TYR A 101 -4.647 -10.083 0.212 1.00 33.05 C ATOM 974 C TYR A 101 -5.912 -9.223 0.100 1.00 41.94 C ATOM 975 O TYR A 101 -6.259 -8.444 1.038 1.00 36.83 O ATOM 976 CB TYR A 101 -3.492 -9.452 -0.527 1.00 32.57 C ATOM 977 CG TYR A 101 -3.338 -8.014 -0.274 1.00 32.88 C ATOM 978 CD1 TYR A 101 -2.886 -7.549 0.959 1.00 35.67 C ATOM 979 CD2 TYR A 101 -3.642 -7.084 -1.251 1.00 33.26 C ATOM 980 CE1 TYR A 101 -2.783 -6.196 1.213 1.00 33.14 C ATOM 981 CE2 TYR A 101 -3.518 -5.731 -1.009 1.00 35.00 C ATOM 982 CZ TYR A 101 -3.089 -5.304 0.234 1.00 36.88 C ATOM 983 OH TYR A 101 -3.023 -3.973 0.465 1.00 37.12 O ATOM 984 HA TYR A 101 -4.399 -10.116 1.273 1.00 0.00 H ATOM 985 HB3 TYR A 101 -3.647 -9.598 -1.596 1.00 0.00 H ATOM 986 HB2 TYR A 101 -2.574 -9.955 -0.223 1.00 0.00 H ATOM 987 HD2 TYR A 101 -3.985 -7.425 -2.228 1.00 0.00 H ATOM 988 HE2 TYR A 101 -3.756 -5.007 -1.789 1.00 0.00 H ATOM 989 HE1 TYR A 101 -2.458 -5.845 2.193 1.00 0.00 H ATOM 990 HD1 TYR A 101 -2.610 -8.264 1.734 1.00 0.00 H ATOM 991 HH TYR A 101 -2.396 -3.558 -0.179 1.00 0.00 H ATOM 992 H TYR A 101 -4.240 -11.911 -0.920 1.00 0.00 H ATOM 993 N GLN A 102 -6.627 -9.352 -1.021 1.00 39.87 N ATOM 994 CA GLN A 102 -7.856 -8.563 -1.197 1.00 38.76 C ATOM 995 C GLN A 102 -8.921 -9.046 -0.234 1.00 36.74 C ATOM 996 O GLN A 102 -9.746 -8.249 0.218 1.00 38.84 O ATOM 997 CB GLN A 102 -8.406 -8.689 -2.637 1.00 42.20 C ATOM 998 CG GLN A 102 -7.480 -8.161 -3.707 1.00 39.72 C ATOM 999 CD GLN A 102 -7.253 -6.667 -3.603 1.00 38.42 C ATOM 1000 OE1 GLN A 102 -8.184 -5.911 -3.324 1.00 45.11 O ATOM 1001 NE2 GLN A 102 -6.006 -6.224 -3.839 1.00 42.49 N ATOM 1002 HA GLN A 102 -7.607 -7.520 -1.001 1.00 0.00 H ATOM 1003 HB2 GLN A 102 -8.595 -9.743 -2.839 1.00 0.00 H ATOM 1004 HB3 GLN A 102 -9.344 -8.136 -2.694 1.00 0.00 H ATOM 1005 HG2 GLN A 102 -6.519 -8.667 -3.616 1.00 0.00 H ATOM 1006 HG3 GLN A 102 -7.914 -8.380 -4.683 1.00 0.00 H ATOM 1007 HE22 GLN A 102 -5.250 -6.899 -4.071 1.00 0.00 H ATOM 1008 HE21 GLN A 102 -5.798 -5.206 -3.789 1.00 0.00 H ATOM 1009 H GLN A 102 -6.316 -10.007 -1.766 1.00 0.00 H ATOM 1010 N GLY A 103 -8.932 -10.343 0.074 1.00 34.65 N ATOM 1011 CA GLY A 103 -9.888 -10.861 1.085 1.00 40.04 C ATOM 1012 C GLY A 103 -9.661 -10.221 2.455 1.00 40.98 C ATOM 1013 O GLY A 103 -10.605 -9.882 3.188 1.00 43.30 O ATOM 1014 HA3 GLY A 103 -9.760 -11.940 1.173 1.00 0.00 H ATOM 1015 HA2 GLY A 103 -10.904 -10.642 0.756 1.00 0.00 H ATOM 1016 H GLY A 103 -8.270 -10.993 -0.395 1.00 0.00 H ATOM 1017 N LEU A 104 -8.392 -10.072 2.795 1.00 40.25 N ATOM 1018 CA LEU A 104 -7.997 -9.463 4.054 1.00 40.14 C ATOM 1019 C LEU A 104 -8.462 -8.030 4.149 1.00 46.16 C ATOM 1020 O LEU A 104 -8.836 -7.572 5.235 1.00 40.64 O ATOM 1021 CB LEU A 104 -6.481 -9.547 4.277 1.00 36.89 C ATOM 1022 CG LEU A 104 -5.933 -10.929 4.584 1.00 37.90 C ATOM 1023 CD1 LEU A 104 -4.419 -10.859 4.536 1.00 38.48 C ATOM 1024 CD2 LEU A 104 -6.427 -11.516 5.914 1.00 39.40 C ATOM 1025 HA LEU A 104 -8.486 -10.033 4.843 1.00 0.00 H ATOM 1026 HB2 LEU A 104 -5.989 -9.185 3.374 1.00 0.00 H ATOM 1027 HB3 LEU A 104 -6.229 -8.894 5.113 1.00 0.00 H ATOM 1028 HG LEU A 104 -6.311 -11.616 3.827 1.00 0.00 H ATOM 1029 HD21 LEU A 104 -6.127 -10.861 6.732 1.00 0.00 H ATOM 1030 HD22 LEU A 104 -7.514 -11.598 5.892 1.00 0.00 H ATOM 1031 HD23 LEU A 104 -5.990 -12.504 6.058 1.00 0.00 H ATOM 1032 HD11 LEU A 104 -4.103 -10.542 3.542 1.00 0.00 H ATOM 1033 HD12 LEU A 104 -4.066 -10.142 5.277 1.00 0.00 H ATOM 1034 HD13 LEU A 104 -4.004 -11.843 4.754 1.00 0.00 H ATOM 1035 H LEU A 104 -7.653 -10.401 2.141 1.00 0.00 H ATOM 1036 N LEU A 105 -8.456 -7.320 3.031 1.00 42.87 N ATOM 1037 CA LEU A 105 -8.840 -5.901 3.043 1.00 44.62 C ATOM 1038 C LEU A 105 -10.321 -5.697 3.213 1.00 49.14 C ATOM 1039 O LEU A 105 -10.764 -4.613 3.592 1.00 53.65 O ATOM 1040 CB LEU A 105 -8.446 -5.204 1.728 1.00 48.91 C ATOM 1041 CG LEU A 105 -6.999 -5.255 1.276 1.00 46.10 C ATOM 1042 CD1 LEU A 105 -6.855 -4.439 -0.003 1.00 48.90 C ATOM 1043 CD2 LEU A 105 -6.102 -4.706 2.377 1.00 49.29 C ATOM 1044 HA LEU A 105 -8.310 -5.473 3.894 1.00 0.00 H ATOM 1045 HB2 LEU A 105 -9.045 -5.653 0.936 1.00 0.00 H ATOM 1046 HB3 LEU A 105 -8.712 -4.152 1.831 1.00 0.00 H ATOM 1047 HG LEU A 105 -6.700 -6.284 1.075 1.00 0.00 H ATOM 1048 HD21 LEU A 105 -6.380 -3.674 2.590 1.00 0.00 H ATOM 1049 HD22 LEU A 105 -6.223 -5.309 3.277 1.00 0.00 H ATOM 1050 HD23 LEU A 105 -5.063 -4.744 2.050 1.00 0.00 H ATOM 1051 HD11 LEU A 105 -7.499 -4.860 -0.775 1.00 0.00 H ATOM 1052 HD12 LEU A 105 -7.146 -3.407 0.192 1.00 0.00 H ATOM 1053 HD13 LEU A 105 -5.818 -4.469 -0.337 1.00 0.00 H ATOM 1054 H LEU A 105 -8.177 -7.771 2.136 1.00 0.00 H ATOM 1055 N LYS A 106 -11.111 -6.698 2.892 1.00 47.82 N ATOM 1056 CA LYS A 106 -12.517 -6.566 3.102 1.00 53.33 C ATOM 1057 C LYS A 106 -12.996 -7.526 4.176 1.00 51.08 C ATOM 1058 O LYS A 106 -14.175 -7.771 4.314 1.00 53.41 O ATOM 1059 CB LYS A 106 -13.257 -6.729 1.775 1.00 67.40 C ATOM 1060 CG LYS A 106 -13.038 -8.048 1.064 1.00 76.67 C ATOM 1061 CD LYS A 106 -13.645 -8.044 -0.347 1.00 89.84 C ATOM 1062 CE LYS A 106 -12.968 -7.061 -1.304 1.00 91.85 C ATOM 1063 NZ LYS A 106 -13.145 -7.470 -2.734 1.00 89.21 N ATOM 1064 HA LYS A 106 -12.740 -5.565 3.473 1.00 0.00 H ATOM 1065 HB2 LYS A 106 -14.324 -6.626 1.971 1.00 0.00 H ATOM 1066 HB3 LYS A 106 -12.932 -5.930 1.109 1.00 0.00 H ATOM 1067 HG2 LYS A 106 -11.967 -8.234 0.987 1.00 0.00 H ATOM 1068 HG3 LYS A 106 -13.503 -8.844 1.646 1.00 0.00 H ATOM 1069 HD2 LYS A 106 -13.556 -9.047 -0.763 1.00 0.00 H ATOM 1070 HD3 LYS A 106 -14.699 -7.777 -0.268 1.00 0.00 H ATOM 1071 HE2 LYS A 106 -11.903 -7.023 -1.076 1.00 0.00 H ATOM 1072 HE3 LYS A 106 -13.404 -6.072 -1.162 1.00 0.00 H ATOM 1073 HZ1 LYS A 106 -12.725 -8.411 -2.879 1.00 0.00 H ATOM 1074 HZ2 LYS A 106 -14.159 -7.503 -2.961 1.00 0.00 H ATOM 1075 HZ3 LYS A 106 -12.673 -6.780 -3.352 1.00 0.00 H ATOM 1076 H LYS A 106 -10.717 -7.573 2.491 1.00 0.00 H ATOM 1077 N ASP A 107 -12.072 -8.024 4.977 1.00 50.90 N ATOM 1078 CA ASP A 107 -12.387 -8.995 6.016 1.00 53.78 C ATOM 1079 C ASP A 107 -13.151 -8.405 7.219 1.00 56.73 C ATOM 1080 O ASP A 107 -13.826 -9.152 7.918 1.00 55.24 O ATOM 1081 CB ASP A 107 -11.110 -9.714 6.483 1.00 54.76 C ATOM 1082 CG ASP A 107 -11.332 -10.564 7.679 1.00 57.13 C ATOM 1083 OD1 ASP A 107 -11.380 -9.961 8.771 1.00 59.04 O ATOM 1084 OD2 ASP A 107 -11.463 -11.811 7.546 1.00 55.57 O ATOM 1085 HA ASP A 107 -13.068 -9.713 5.559 1.00 0.00 H ATOM 1086 HB2 ASP A 107 -10.748 -10.344 5.670 1.00 0.00 H ATOM 1087 HB3 ASP A 107 -10.356 -8.964 6.724 1.00 0.00 H ATOM 1088 H ASP A 107 -11.086 -7.713 4.862 1.00 0.00 H ATOM 1089 N GLY A 108 -13.063 -7.101 7.480 1.00 57.14 N ATOM 1090 CA GLY A 108 -13.809 -6.536 8.630 1.00 62.78 C ATOM 1091 C GLY A 108 -13.236 -6.705 10.052 1.00 55.70 C ATOM 1092 O GLY A 108 -13.643 -5.976 10.962 1.00 56.39 O ATOM 1093 HA3 GLY A 108 -14.797 -6.997 8.627 1.00 0.00 H ATOM 1094 HA2 GLY A 108 -13.908 -5.465 8.451 1.00 0.00 H ATOM 1095 H GLY A 108 -12.476 -6.485 6.882 1.00 0.00 H ATOM 1096 N THR A 109 -12.322 -7.655 10.248 1.00 50.26 N ATOM 1097 CA THR A 109 -11.394 -7.596 11.393 1.00 47.87 C ATOM 1098 C THR A 109 -10.589 -6.338 11.315 1.00 44.49 C ATOM 1099 O THR A 109 -9.976 -6.087 10.269 1.00 42.97 O ATOM 1100 CB THR A 109 -10.357 -8.703 11.375 1.00 46.13 C ATOM 1101 OG1 THR A 109 -11.003 -9.941 11.577 1.00 45.94 O ATOM 1102 CG2 THR A 109 -9.339 -8.521 12.503 1.00 49.92 C ATOM 1103 HA THR A 109 -12.021 -7.672 12.282 1.00 0.00 H ATOM 1104 HB THR A 109 -9.844 -8.672 10.414 1.00 0.00 H ATOM 1105 HG1 THR A 109 -11.663 -10.089 10.854 1.00 0.00 H ATOM 1106 HG23 THR A 109 -8.822 -7.570 12.374 1.00 0.00 H ATOM 1107 HG21 THR A 109 -9.857 -8.527 13.462 1.00 0.00 H ATOM 1108 HG22 THR A 109 -8.616 -9.336 12.473 1.00 0.00 H ATOM 1109 H THR A 109 -12.262 -8.452 9.582 1.00 0.00 H ATOM 1110 N PRO A 110 -10.549 -5.541 12.418 1.00 43.03 N ATOM 1111 CA PRO A 110 -9.858 -4.272 12.185 1.00 36.73 C ATOM 1112 C PRO A 110 -8.394 -4.417 11.912 1.00 35.43 C ATOM 1113 O PRO A 110 -7.777 -5.447 12.178 1.00 36.03 O ATOM 1114 CB PRO A 110 -10.087 -3.447 13.472 1.00 39.79 C ATOM 1115 CG PRO A 110 -11.152 -4.154 14.225 1.00 43.09 C ATOM 1116 CD PRO A 110 -11.481 -5.472 13.558 1.00 42.55 C ATOM 1117 HA PRO A 110 -10.255 -3.795 11.289 1.00 0.00 H ATOM 1118 HD3 PRO A 110 -11.317 -6.304 14.243 1.00 0.00 H ATOM 1119 HD2 PRO A 110 -12.515 -5.484 13.214 1.00 0.00 H ATOM 1120 HG3 PRO A 110 -12.047 -3.532 14.253 1.00 0.00 H ATOM 1121 HG2 PRO A 110 -10.809 -4.341 15.243 1.00 0.00 H ATOM 1122 HB2 PRO A 110 -9.171 -3.402 14.062 1.00 0.00 H ATOM 1123 HB3 PRO A 110 -10.407 -2.435 13.222 1.00 0.00 H ATOM 1124 N LYS A 111 -7.838 -3.338 11.398 1.00 32.57 N ATOM 1125 CA LYS A 111 -6.503 -3.346 10.953 1.00 35.38 C ATOM 1126 C LYS A 111 -5.591 -3.448 12.156 1.00 36.34 C ATOM 1127 O LYS A 111 -4.564 -4.075 12.071 1.00 36.55 O ATOM 1128 CB LYS A 111 -6.300 -2.036 10.179 1.00 38.79 C ATOM 1129 CG LYS A 111 -4.886 -1.579 10.034 1.00 47.19 C ATOM 1130 CD LYS A 111 -4.808 -0.072 9.933 1.00 57.59 C ATOM 1131 CE LYS A 111 -5.665 0.512 8.815 1.00 62.31 C ATOM 1132 NZ LYS A 111 -5.196 -0.017 7.528 1.00 68.43 N ATOM 1133 HA LYS A 111 -6.275 -4.192 10.304 1.00 0.00 H ATOM 1134 HB2 LYS A 111 -6.712 -2.171 9.179 1.00 0.00 H ATOM 1135 HB3 LYS A 111 -6.854 -1.252 10.696 1.00 0.00 H ATOM 1136 HG2 LYS A 111 -4.315 -1.908 10.902 1.00 0.00 H ATOM 1137 HG3 LYS A 111 -4.460 -2.019 9.132 1.00 0.00 H ATOM 1138 HD2 LYS A 111 -5.140 0.354 10.880 1.00 0.00 H ATOM 1139 HD3 LYS A 111 -3.770 0.208 9.754 1.00 0.00 H ATOM 1140 HE2 LYS A 111 -5.579 1.599 8.817 1.00 0.00 H ATOM 1141 HE3 LYS A 111 -6.707 0.231 8.968 1.00 0.00 H ATOM 1142 HZ1 LYS A 111 -4.202 0.252 7.386 1.00 0.00 H ATOM 1143 HZ2 LYS A 111 -5.279 -1.054 7.530 1.00 0.00 H ATOM 1144 HZ3 LYS A 111 -5.776 0.377 6.760 1.00 0.00 H ATOM 1145 H LYS A 111 -8.397 -2.464 11.320 1.00 0.00 H ATOM 1146 N ALA A 112 -5.934 -2.764 13.257 1.00 37.51 N ATOM 1147 CA ALA A 112 -5.084 -2.777 14.472 1.00 35.24 C ATOM 1148 C ALA A 112 -4.892 -4.195 14.854 1.00 31.73 C ATOM 1149 O ALA A 112 -3.790 -4.624 15.101 1.00 36.46 O ATOM 1150 CB ALA A 112 -5.744 -1.979 15.627 1.00 36.22 C ATOM 1151 HA ALA A 112 -4.126 -2.298 14.270 1.00 0.00 H ATOM 1152 HB1 ALA A 112 -5.890 -0.945 15.315 1.00 0.00 H ATOM 1153 HB2 ALA A 112 -6.708 -2.426 15.871 1.00 0.00 H ATOM 1154 HB3 ALA A 112 -5.096 -2.008 16.503 1.00 0.00 H ATOM 1155 H ALA A 112 -6.816 -2.212 13.259 1.00 0.00 H ATOM 1156 N THR A 113 -5.975 -4.964 14.806 1.00 33.68 N ATOM 1157 CA THR A 113 -5.942 -6.385 15.192 1.00 35.27 C ATOM 1158 C THR A 113 -5.165 -7.290 14.240 1.00 38.91 C ATOM 1159 O THR A 113 -4.393 -8.195 14.673 1.00 33.16 O ATOM 1160 CB THR A 113 -7.375 -6.919 15.252 1.00 35.32 C ATOM 1161 OG1 THR A 113 -8.203 -5.998 15.973 1.00 41.61 O ATOM 1162 CG2 THR A 113 -7.439 -8.279 15.849 1.00 35.84 C ATOM 1163 HA THR A 113 -5.431 -6.411 16.154 1.00 0.00 H ATOM 1164 HB THR A 113 -7.747 -7.010 14.231 1.00 0.00 H ATOM 1165 HG1 THR A 113 -9.129 -6.347 16.009 1.00 0.00 H ATOM 1166 HG23 THR A 113 -6.800 -8.955 15.280 1.00 0.00 H ATOM 1167 HG21 THR A 113 -7.096 -8.237 16.883 1.00 0.00 H ATOM 1168 HG22 THR A 113 -8.467 -8.639 15.821 1.00 0.00 H ATOM 1169 H THR A 113 -6.874 -4.550 14.486 1.00 0.00 H ATOM 1170 N GLN A 114 -5.376 -7.064 12.933 1.00 34.79 N ATOM 1171 CA GLN A 114 -4.731 -7.924 11.925 1.00 36.04 C ATOM 1172 C GLN A 114 -3.230 -7.667 11.998 1.00 28.41 C ATOM 1173 O GLN A 114 -2.427 -8.586 11.965 1.00 33.33 O ATOM 1174 CB GLN A 114 -5.308 -7.631 10.523 1.00 38.96 C ATOM 1175 CG GLN A 114 -6.773 -8.065 10.272 1.00 45.06 C ATOM 1176 CD GLN A 114 -7.128 -8.260 8.771 1.00 44.17 C ATOM 1177 OE1 GLN A 114 -6.377 -8.897 8.034 1.00 43.04 O ATOM 1178 NE2 GLN A 114 -8.257 -7.688 8.328 1.00 42.32 N ATOM 1179 HA GLN A 114 -4.925 -8.978 12.122 1.00 0.00 H ATOM 1180 HB2 GLN A 114 -5.249 -6.555 10.359 1.00 0.00 H ATOM 1181 HB3 GLN A 114 -4.681 -8.144 9.793 1.00 0.00 H ATOM 1182 HG2 GLN A 114 -6.945 -9.008 10.790 1.00 0.00 H ATOM 1183 HG3 GLN A 114 -7.432 -7.301 10.684 1.00 0.00 H ATOM 1184 HE22 GLN A 114 -8.864 -7.158 8.985 1.00 0.00 H ATOM 1185 HE21 GLN A 114 -8.526 -7.775 7.327 1.00 0.00 H ATOM 1186 H GLN A 114 -5.994 -6.283 12.633 1.00 0.00 H ATOM 1187 N CYS A 115 -2.860 -6.401 12.130 1.00 30.35 N ATOM 1188 CA CYS A 115 -1.447 -6.000 12.273 1.00 33.32 C ATOM 1189 C CYS A 115 -0.752 -6.538 13.530 1.00 30.58 C ATOM 1190 O CYS A 115 0.426 -6.870 13.496 1.00 29.58 O ATOM 1191 CB CYS A 115 -1.328 -4.468 12.283 1.00 34.00 C ATOM 1192 SG CYS A 115 -1.845 -3.636 10.728 1.00 41.36 S ATOM 1193 HA CYS A 115 -0.943 -6.442 11.413 1.00 0.00 H ATOM 1194 HB2 CYS A 115 -0.286 -4.211 12.473 1.00 0.00 H ATOM 1195 HB3 CYS A 115 -1.949 -4.086 13.093 1.00 0.00 H ATOM 1196 HG CYS A 115 -2.908 -4.516 10.768 1.00 0.00 H ATOM 1197 H CYS A 115 -3.593 -5.663 12.133 1.00 0.00 H ATOM 1198 N SER A 116 -1.460 -6.587 14.650 1.00 32.38 N ATOM 1199 CA SER A 116 -0.852 -7.138 15.925 1.00 31.70 C ATOM 1200 C SER A 116 -0.593 -8.634 15.670 1.00 30.05 C ATOM 1201 O SER A 116 0.478 -9.219 15.962 1.00 34.25 O ATOM 1202 CB SER A 116 -1.820 -6.883 17.138 1.00 32.36 C ATOM 1203 OG SER A 116 -1.320 -7.428 18.347 1.00 37.49 O ATOM 1204 HA SER A 116 0.085 -6.645 16.185 1.00 0.00 H ATOM 1205 HB2 SER A 116 -2.785 -7.340 16.919 1.00 0.00 H ATOM 1206 HB3 SER A 116 -1.949 -5.808 17.264 1.00 0.00 H ATOM 1207 HG SER A 116 -0.446 -7.013 18.558 1.00 0.00 H ATOM 1208 H SER A 116 -2.442 -6.244 14.654 1.00 0.00 H ATOM 1209 N SER A 117 -1.560 -9.253 15.035 1.00 28.87 N ATOM 1210 CA SER A 117 -1.460 -10.661 14.797 1.00 30.83 C ATOM 1211 C SER A 117 -0.296 -11.015 13.873 1.00 30.76 C ATOM 1212 O SER A 117 0.583 -11.851 14.226 1.00 32.45 O ATOM 1213 CB SER A 117 -2.779 -11.162 14.271 1.00 34.05 C ATOM 1214 OG SER A 117 -2.771 -12.582 14.278 1.00 38.64 O ATOM 1215 HA SER A 117 -1.240 -11.162 15.739 1.00 0.00 H ATOM 1216 HB2 SER A 117 -2.927 -10.802 13.253 1.00 0.00 H ATOM 1217 HB3 SER A 117 -3.588 -10.798 14.905 1.00 0.00 H ATOM 1218 HG SER A 117 -3.636 -12.917 13.933 1.00 0.00 H ATOM 1219 H SER A 117 -2.393 -8.724 14.707 1.00 0.00 H ATOM 1220 N PHE A 118 -0.228 -10.295 12.749 1.00 32.17 N ATOM 1221 CA PHE A 118 0.759 -10.606 11.685 1.00 32.53 C ATOM 1222 C PHE A 118 2.149 -10.169 12.071 1.00 29.39 C ATOM 1223 O PHE A 118 3.140 -10.896 11.900 1.00 32.96 O ATOM 1224 CB PHE A 118 0.329 -9.931 10.359 1.00 32.89 C ATOM 1225 CG PHE A 118 -0.872 -10.554 9.734 1.00 30.47 C ATOM 1226 CD1 PHE A 118 -1.097 -11.915 9.820 1.00 29.65 C ATOM 1227 CD2 PHE A 118 -1.748 -9.781 8.992 1.00 36.41 C ATOM 1228 CE1 PHE A 118 -2.210 -12.500 9.228 1.00 36.05 C ATOM 1229 CE2 PHE A 118 -2.865 -10.340 8.372 1.00 34.58 C ATOM 1230 CZ PHE A 118 -3.121 -11.703 8.520 1.00 36.06 C ATOM 1231 HA PHE A 118 0.783 -11.687 11.550 1.00 0.00 H ATOM 1232 HB2 PHE A 118 0.108 -8.883 10.561 1.00 0.00 H ATOM 1233 HB3 PHE A 118 1.158 -9.997 9.654 1.00 0.00 H ATOM 1234 HD2 PHE A 118 -1.561 -8.712 8.890 1.00 0.00 H ATOM 1235 HE2 PHE A 118 -3.532 -9.717 7.777 1.00 0.00 H ATOM 1236 HZ PHE A 118 -4.020 -12.144 8.090 1.00 0.00 H ATOM 1237 HE1 PHE A 118 -2.374 -13.574 9.314 1.00 0.00 H ATOM 1238 HD1 PHE A 118 -0.388 -12.541 10.362 1.00 0.00 H ATOM 1239 H PHE A 118 -0.882 -9.498 12.617 1.00 0.00 H ATOM 1240 N ASN A 119 2.244 -8.996 12.666 1.00 33.00 N ATOM 1241 CA ASN A 119 3.547 -8.569 13.185 1.00 30.56 C ATOM 1242 C ASN A 119 4.269 -9.533 14.080 1.00 30.77 C ATOM 1243 O ASN A 119 5.509 -9.576 14.074 1.00 33.73 O ATOM 1244 CB ASN A 119 3.429 -7.238 13.879 1.00 35.14 C ATOM 1245 CG ASN A 119 3.546 -6.062 12.909 1.00 34.37 C ATOM 1246 OD1 ASN A 119 4.371 -6.072 11.985 1.00 39.66 O ATOM 1247 ND2 ASN A 119 2.775 -5.029 13.148 1.00 34.24 N ATOM 1248 HA ASN A 119 4.166 -8.506 12.290 1.00 0.00 H ATOM 1249 HB2 ASN A 119 2.460 -7.187 14.376 1.00 0.00 H ATOM 1250 HB3 ASN A 119 4.222 -7.159 14.622 1.00 0.00 H ATOM 1251 HD22 ASN A 119 2.094 -5.059 13.934 1.00 0.00 H ATOM 1252 HD21 ASN A 119 2.844 -4.180 12.552 1.00 0.00 H ATOM 1253 H ASN A 119 1.409 -8.384 12.765 1.00 0.00 H ATOM 1254 N ARG A 120 3.496 -10.276 14.866 1.00 38.37 N ATOM 1255 CA ARG A 120 3.991 -11.314 15.758 1.00 41.71 C ATOM 1256 C ARG A 120 4.223 -12.641 15.000 1.00 38.95 C ATOM 1257 O ARG A 120 5.296 -13.212 15.136 1.00 37.71 O ATOM 1258 CB ARG A 120 3.040 -11.525 16.991 1.00 46.94 C ATOM 1259 CG ARG A 120 3.293 -12.813 17.812 1.00 51.38 C ATOM 1260 CD ARG A 120 4.531 -12.726 18.701 1.00 56.79 C ATOM 1261 NE ARG A 120 4.325 -11.606 19.607 1.00 75.33 N ATOM 1262 CZ ARG A 120 3.548 -11.611 20.710 1.00 71.66 C ATOM 1263 NH1 ARG A 120 2.934 -12.738 21.132 1.00 71.90 N ATOM 1264 NH2 ARG A 120 3.393 -10.465 21.399 1.00 48.78 N ATOM 1265 HA ARG A 120 4.953 -10.976 16.143 1.00 0.00 H ATOM 1266 HB2 ARG A 120 3.160 -10.672 17.658 1.00 0.00 H ATOM 1267 HB3 ARG A 120 2.014 -11.556 16.623 1.00 0.00 H ATOM 1268 HG2 ARG A 120 2.424 -12.997 18.444 1.00 0.00 H ATOM 1269 HG3 ARG A 120 3.421 -13.646 17.120 1.00 0.00 H ATOM 1270 HD2 ARG A 120 5.419 -12.557 18.092 1.00 0.00 H ATOM 1271 HD3 ARG A 120 4.651 -13.649 19.268 1.00 0.00 H ATOM 1272 HE ARG A 120 4.822 -10.720 19.384 1.00 0.00 H ATOM 1273 HH12 ARG A 120 2.340 -12.718 21.985 1.00 0.00 H ATOM 1274 HH11 ARG A 120 3.056 -13.625 20.604 1.00 0.00 H ATOM 1275 HH22 ARG A 120 2.798 -10.447 22.252 1.00 0.00 H ATOM 1276 HH21 ARG A 120 3.868 -9.597 21.078 1.00 0.00 H ATOM 1277 H ARG A 120 2.471 -10.104 14.842 1.00 0.00 H ATOM 1278 N THR A 121 3.263 -13.133 14.213 1.00 39.28 N ATOM 1279 CA THR A 121 3.419 -14.504 13.665 1.00 40.58 C ATOM 1280 C THR A 121 4.370 -14.616 12.474 1.00 39.76 C ATOM 1281 O THR A 121 4.836 -15.698 12.156 1.00 38.23 O ATOM 1282 CB THR A 121 2.063 -15.097 13.280 1.00 43.77 C ATOM 1283 OG1 THR A 121 1.433 -14.265 12.323 1.00 46.35 O ATOM 1284 CG2 THR A 121 1.174 -15.104 14.489 1.00 49.96 C ATOM 1285 HA THR A 121 3.873 -15.072 14.478 1.00 0.00 H ATOM 1286 HB THR A 121 2.219 -16.101 12.885 1.00 0.00 H ATOM 1287 HG1 THR A 121 1.300 -13.363 12.708 1.00 0.00 H ATOM 1288 HG23 THR A 121 1.617 -15.734 15.260 1.00 0.00 H ATOM 1289 HG21 THR A 121 1.068 -14.087 14.866 1.00 0.00 H ATOM 1290 HG22 THR A 121 0.194 -15.496 14.216 1.00 0.00 H ATOM 1291 H THR A 121 2.421 -12.566 13.988 1.00 0.00 H ATOM 1292 N MET A 122 4.697 -13.479 11.871 1.00 41.09 N ATOM 1293 CA MET A 122 5.355 -13.446 10.563 1.00 41.34 C ATOM 1294 C MET A 122 6.855 -13.342 10.681 1.00 44.38 C ATOM 1295 O MET A 122 7.569 -13.493 9.718 1.00 44.53 O ATOM 1296 CB MET A 122 4.818 -12.268 9.727 1.00 39.87 C ATOM 1297 CG MET A 122 3.437 -12.475 9.105 1.00 40.04 C ATOM 1298 SD MET A 122 3.283 -13.983 8.073 1.00 41.98 S ATOM 1299 CE MET A 122 4.362 -13.376 6.788 1.00 49.20 C ATOM 1300 HA MET A 122 5.126 -14.388 10.065 1.00 0.00 H ATOM 1301 HB2 MET A 122 4.767 -11.393 10.375 1.00 0.00 H ATOM 1302 HB3 MET A 122 5.525 -12.080 8.919 1.00 0.00 H ATOM 1303 HG2 MET A 122 3.212 -11.611 8.480 1.00 0.00 H ATOM 1304 HG3 MET A 122 2.707 -12.539 9.912 1.00 0.00 H ATOM 1305 HE1 MET A 122 3.948 -12.458 6.371 1.00 0.00 H ATOM 1306 HE2 MET A 122 5.347 -13.174 7.208 1.00 0.00 H ATOM 1307 HE3 MET A 122 4.448 -14.127 6.003 1.00 0.00 H ATOM 1308 H MET A 122 4.478 -12.579 12.345 1.00 0.00 H ATOM 1309 N THR A 123 7.342 -13.141 11.893 1.00 46.56 N ATOM 1310 CA THR A 123 8.747 -12.853 12.132 1.00 41.38 C ATOM 1311 C THR A 123 9.786 -13.757 11.457 1.00 37.11 C ATOM 1312 O THR A 123 10.756 -13.248 10.931 1.00 37.12 O ATOM 1313 CB THR A 123 9.011 -12.736 13.664 1.00 46.36 C ATOM 1314 OG1 THR A 123 8.624 -11.407 14.105 1.00 43.66 O ATOM 1315 CG2 THR A 123 10.478 -12.943 13.963 1.00 51.62 C ATOM 1316 HA THR A 123 8.907 -11.901 11.626 1.00 0.00 H ATOM 1317 HB THR A 123 8.431 -13.498 14.186 1.00 0.00 H ATOM 1318 HG1 THR A 123 8.788 -11.323 15.078 1.00 0.00 H ATOM 1319 HG23 THR A 123 10.777 -13.938 13.635 1.00 0.00 H ATOM 1320 HG21 THR A 123 11.065 -12.193 13.433 1.00 0.00 H ATOM 1321 HG22 THR A 123 10.646 -12.847 15.036 1.00 0.00 H ATOM 1322 H THR A 123 6.696 -13.191 12.706 1.00 0.00 H ATOM 1323 N PRO A 124 9.625 -15.088 11.503 1.00 38.74 N ATOM 1324 CA PRO A 124 10.601 -15.984 10.809 1.00 37.88 C ATOM 1325 C PRO A 124 10.637 -15.783 9.272 1.00 40.55 C ATOM 1326 O PRO A 124 11.705 -15.794 8.657 1.00 40.66 O ATOM 1327 CB PRO A 124 10.089 -17.399 11.119 1.00 40.44 C ATOM 1328 CG PRO A 124 8.882 -17.266 12.007 1.00 42.47 C ATOM 1329 CD PRO A 124 8.550 -15.820 12.202 1.00 40.74 C ATOM 1330 HA PRO A 124 11.616 -15.781 11.152 1.00 0.00 H ATOM 1331 HD3 PRO A 124 7.579 -15.586 11.765 1.00 0.00 H ATOM 1332 HD2 PRO A 124 8.540 -15.568 13.262 1.00 0.00 H ATOM 1333 HG3 PRO A 124 9.092 -17.722 12.974 1.00 0.00 H ATOM 1334 HG2 PRO A 124 8.035 -17.772 11.544 1.00 0.00 H ATOM 1335 HB2 PRO A 124 9.815 -17.906 10.194 1.00 0.00 H ATOM 1336 HB3 PRO A 124 10.864 -17.971 11.629 1.00 0.00 H ATOM 1337 N PHE A 125 9.463 -15.627 8.677 1.00 39.12 N ATOM 1338 CA PHE A 125 9.341 -15.291 7.228 1.00 40.31 C ATOM 1339 C PHE A 125 10.021 -13.998 6.836 1.00 38.82 C ATOM 1340 O PHE A 125 10.781 -13.936 5.845 1.00 36.96 O ATOM 1341 CB PHE A 125 7.882 -15.178 6.826 1.00 41.28 C ATOM 1342 CG PHE A 125 7.676 -15.299 5.346 1.00 40.67 C ATOM 1343 CD1 PHE A 125 7.968 -16.508 4.696 1.00 41.67 C ATOM 1344 CD2 PHE A 125 7.246 -14.202 4.589 1.00 39.54 C ATOM 1345 CE1 PHE A 125 7.800 -16.627 3.304 1.00 48.63 C ATOM 1346 CE2 PHE A 125 7.081 -14.315 3.202 1.00 42.99 C ATOM 1347 CZ PHE A 125 7.364 -15.524 2.557 1.00 43.25 C ATOM 1348 HA PHE A 125 9.841 -16.109 6.709 1.00 0.00 H ATOM 1349 HB2 PHE A 125 7.321 -15.970 7.322 1.00 0.00 H ATOM 1350 HB3 PHE A 125 7.505 -14.209 7.152 1.00 0.00 H ATOM 1351 HD2 PHE A 125 7.038 -13.253 5.083 1.00 0.00 H ATOM 1352 HE2 PHE A 125 6.731 -13.459 2.624 1.00 0.00 H ATOM 1353 HZ PHE A 125 7.246 -15.608 1.477 1.00 0.00 H ATOM 1354 HE1 PHE A 125 8.008 -17.575 2.808 1.00 0.00 H ATOM 1355 HD1 PHE A 125 8.327 -17.360 5.273 1.00 0.00 H ATOM 1356 H PHE A 125 8.596 -15.743 9.240 1.00 0.00 H ATOM 1357 N LEU A 126 9.797 -12.973 7.649 1.00 35.43 N ATOM 1358 CA LEU A 126 10.376 -11.687 7.398 1.00 37.11 C ATOM 1359 C LEU A 126 11.892 -11.697 7.590 1.00 40.48 C ATOM 1360 O LEU A 126 12.618 -11.009 6.885 1.00 41.86 O ATOM 1361 CB LEU A 126 9.690 -10.597 8.238 1.00 38.13 C ATOM 1362 CG LEU A 126 8.153 -10.458 8.267 1.00 38.24 C ATOM 1363 CD1 LEU A 126 7.752 -9.324 9.205 1.00 35.53 C ATOM 1364 CD2 LEU A 126 7.547 -10.215 6.882 1.00 41.83 C ATOM 1365 HA LEU A 126 10.201 -11.445 6.350 1.00 0.00 H ATOM 1366 HB2 LEU A 126 10.005 -10.757 9.269 1.00 0.00 H ATOM 1367 HB3 LEU A 126 10.080 -9.643 7.884 1.00 0.00 H ATOM 1368 HG LEU A 126 7.759 -11.408 8.628 1.00 0.00 H ATOM 1369 HD21 LEU A 126 7.955 -9.294 6.465 1.00 0.00 H ATOM 1370 HD22 LEU A 126 7.792 -11.052 6.228 1.00 0.00 H ATOM 1371 HD23 LEU A 126 6.464 -10.126 6.971 1.00 0.00 H ATOM 1372 HD11 LEU A 126 8.113 -9.541 10.210 1.00 0.00 H ATOM 1373 HD12 LEU A 126 8.191 -8.391 8.853 1.00 0.00 H ATOM 1374 HD13 LEU A 126 6.666 -9.233 9.219 1.00 0.00 H ATOM 1375 H LEU A 126 9.190 -13.106 8.483 1.00 0.00 H ATOM 1376 N ASP A 127 12.374 -12.436 8.573 1.00 42.55 N ATOM 1377 CA ASP A 127 13.806 -12.712 8.679 1.00 45.50 C ATOM 1378 C ASP A 127 14.320 -13.400 7.363 1.00 43.60 C ATOM 1379 O ASP A 127 15.371 -13.072 6.847 1.00 39.95 O ATOM 1380 CB ASP A 127 14.071 -13.672 9.870 1.00 49.88 C ATOM 1381 CG ASP A 127 13.796 -13.038 11.249 1.00 52.55 C ATOM 1382 OD1 ASP A 127 13.782 -11.808 11.374 1.00 46.32 O ATOM 1383 OD2 ASP A 127 13.596 -13.780 12.219 1.00 55.55 O ATOM 1384 HA ASP A 127 14.330 -11.769 8.834 1.00 0.00 H ATOM 1385 HB2 ASP A 127 13.429 -14.546 9.758 1.00 0.00 H ATOM 1386 HB3 ASP A 127 15.115 -13.983 9.836 1.00 0.00 H ATOM 1387 H ASP A 127 11.724 -12.828 9.284 1.00 0.00 H ATOM 1388 N ALA A 128 13.581 -14.392 6.879 1.00 42.96 N ATOM 1389 CA ALA A 128 13.911 -15.056 5.605 1.00 49.81 C ATOM 1390 C ALA A 128 14.093 -14.032 4.471 1.00 49.26 C ATOM 1391 O ALA A 128 15.078 -14.054 3.750 1.00 45.34 O ATOM 1392 CB ALA A 128 12.842 -16.072 5.243 1.00 47.95 C ATOM 1393 HA ALA A 128 14.858 -15.579 5.735 1.00 0.00 H ATOM 1394 HB1 ALA A 128 12.777 -16.824 6.029 1.00 0.00 H ATOM 1395 HB2 ALA A 128 11.882 -15.567 5.141 1.00 0.00 H ATOM 1396 HB3 ALA A 128 13.103 -16.552 4.300 1.00 0.00 H ATOM 1397 H ALA A 128 12.747 -14.709 7.413 1.00 0.00 H ATOM 1398 N MET A 129 13.163 -13.093 4.365 1.00 53.48 N ATOM 1399 CA MET A 129 13.239 -12.070 3.332 1.00 50.65 C ATOM 1400 C MET A 129 14.519 -11.282 3.379 1.00 52.18 C ATOM 1401 O MET A 129 14.900 -10.678 2.386 1.00 57.05 O ATOM 1402 CB MET A 129 12.106 -11.063 3.451 1.00 45.64 C ATOM 1403 CG MET A 129 10.809 -11.518 2.885 1.00 46.40 C ATOM 1404 SD MET A 129 9.680 -10.165 3.136 1.00 45.74 S ATOM 1405 CE MET A 129 8.184 -11.118 3.308 1.00 47.31 C ATOM 1406 HA MET A 129 13.177 -12.623 2.395 1.00 0.00 H ATOM 1407 HB2 MET A 129 11.957 -10.842 4.508 1.00 0.00 H ATOM 1408 HB3 MET A 129 12.404 -10.153 2.930 1.00 0.00 H ATOM 1409 HG2 MET A 129 10.458 -12.409 3.405 1.00 0.00 H ATOM 1410 HG3 MET A 129 10.912 -11.736 1.822 1.00 0.00 H ATOM 1411 HE1 MET A 129 8.015 -11.694 2.398 1.00 0.00 H ATOM 1412 HE2 MET A 129 8.282 -11.796 4.155 1.00 0.00 H ATOM 1413 HE3 MET A 129 7.343 -10.445 3.475 1.00 0.00 H ATOM 1414 H MET A 129 12.365 -13.087 5.032 1.00 0.00 H ATOM 1415 N ARG A 130 15.150 -11.218 4.532 1.00 55.07 N ATOM 1416 CA ARG A 130 16.316 -10.354 4.674 1.00 63.59 C ATOM 1417 C ARG A 130 17.504 -10.728 3.786 1.00 62.78 C ATOM 1418 O ARG A 130 18.315 -9.857 3.484 1.00 62.11 O ATOM 1419 CB ARG A 130 16.766 -10.316 6.131 1.00 69.87 C ATOM 1420 CG ARG A 130 15.782 -9.605 7.039 1.00 73.96 C ATOM 1421 CD ARG A 130 15.902 -8.093 6.909 1.00 73.12 C ATOM 1422 NE ARG A 130 15.521 -7.517 8.181 1.00 86.30 N ATOM 1423 CZ ARG A 130 16.323 -6.853 9.009 1.00 84.08 C ATOM 1424 NH1 ARG A 130 17.575 -6.564 8.697 1.00 77.70 N ATOM 1425 NH2 ARG A 130 15.830 -6.424 10.155 1.00 97.82 N ATOM 1426 HA ARG A 130 15.987 -9.371 4.338 1.00 0.00 H ATOM 1427 HB2 ARG A 130 16.887 -11.340 6.484 1.00 0.00 H ATOM 1428 HB3 ARG A 130 17.724 -9.799 6.185 1.00 0.00 H ATOM 1429 HG2 ARG A 130 14.769 -9.905 6.770 1.00 0.00 H ATOM 1430 HG3 ARG A 130 15.982 -9.890 8.072 1.00 0.00 H ATOM 1431 HD2 ARG A 130 15.238 -7.733 6.123 1.00 0.00 H ATOM 1432 HD3 ARG A 130 16.930 -7.820 6.669 1.00 0.00 H ATOM 1433 HE ARG A 130 14.530 -7.633 8.474 1.00 0.00 H ATOM 1434 HH12 ARG A 130 18.172 -6.043 9.371 1.00 0.00 H ATOM 1435 HH11 ARG A 130 17.963 -6.858 7.778 1.00 0.00 H ATOM 1436 HH22 ARG A 130 16.437 -5.902 10.819 1.00 0.00 H ATOM 1437 HH21 ARG A 130 14.835 -6.607 10.394 1.00 0.00 H ATOM 1438 H ARG A 130 14.818 -11.782 5.340 1.00 0.00 H ATOM 1439 N THR A 131 17.621 -11.997 3.385 1.00 68.37 N ATOM 1440 CA THR A 131 18.758 -12.438 2.529 1.00 83.59 C ATOM 1441 C THR A 131 18.506 -12.525 1.019 1.00 83.94 C ATOM 1442 O THR A 131 19.439 -12.843 0.278 1.00 91.15 O ATOM 1443 CB THR A 131 19.349 -13.815 2.955 1.00 86.34 C ATOM 1444 OG1 THR A 131 18.371 -14.578 3.687 1.00 74.62 O ATOM 1445 CG2 THR A 131 20.654 -13.621 3.772 1.00 85.46 C ATOM 1446 HA THR A 131 19.455 -11.618 2.703 1.00 0.00 H ATOM 1447 HB THR A 131 19.605 -14.379 2.058 1.00 0.00 H ATOM 1448 HG1 THR A 131 18.762 -15.449 3.950 1.00 0.00 H ATOM 1449 HG23 THR A 131 21.366 -13.041 3.185 1.00 0.00 H ATOM 1450 HG21 THR A 131 20.427 -13.091 4.697 1.00 0.00 H ATOM 1451 HG22 THR A 131 21.083 -14.595 4.006 1.00 0.00 H ATOM 1452 H THR A 131 16.904 -12.691 3.676 1.00 0.00 H ATOM 1453 N VAL A 132 17.284 -12.250 0.559 1.00 84.23 N ATOM 1454 CA VAL A 132 16.951 -12.402 -0.873 1.00 79.97 C ATOM 1455 C VAL A 132 17.247 -11.140 -1.699 1.00 74.40 C ATOM 1456 O VAL A 132 17.890 -10.200 -1.231 1.00 74.92 O ATOM 1457 CB VAL A 132 15.478 -12.830 -1.092 1.00 75.82 C ATOM 1458 CG1 VAL A 132 15.275 -13.269 -2.537 1.00 82.81 C ATOM 1459 CG2 VAL A 132 15.082 -13.968 -0.161 1.00 70.03 C ATOM 1460 HA VAL A 132 17.605 -13.198 -1.229 1.00 0.00 H ATOM 1461 HB VAL A 132 14.846 -11.970 -0.870 1.00 0.00 H ATOM 1462 HG11 VAL A 132 15.512 -12.440 -3.204 1.00 0.00 H ATOM 1463 HG12 VAL A 132 15.931 -14.112 -2.755 1.00 0.00 H ATOM 1464 HG13 VAL A 132 14.237 -13.568 -2.682 1.00 0.00 H ATOM 1465 HG21 VAL A 132 15.723 -14.829 -0.349 1.00 0.00 H ATOM 1466 HG22 VAL A 132 15.198 -13.646 0.874 1.00 0.00 H ATOM 1467 HG23 VAL A 132 14.043 -14.241 -0.344 1.00 0.00 H ATOM 1468 H VAL A 132 16.552 -11.922 1.221 1.00 0.00 H TER 1469 VAL A 132 ATOM 1470 N VAL B 38 30.162 14.534 20.200 1.00101.19 N ATOM 1471 CA VAL B 38 28.774 14.028 20.493 1.00 91.25 C ATOM 1472 C VAL B 38 28.393 14.284 21.970 1.00 79.33 C ATOM 1473 O VAL B 38 28.520 13.397 22.805 1.00 74.72 O ATOM 1474 CB VAL B 38 28.610 12.536 20.080 1.00 85.89 C ATOM 1475 CG1 VAL B 38 27.989 12.462 18.698 1.00 81.19 C ATOM 1476 CG2 VAL B 38 29.945 11.767 20.107 1.00 82.69 C ATOM 1477 HA VAL B 38 28.070 14.592 19.881 1.00 0.00 H ATOM 1478 HB VAL B 38 27.956 12.059 20.810 1.00 0.00 H ATOM 1479 HG11 VAL B 38 27.012 12.946 18.714 1.00 0.00 H ATOM 1480 HG12 VAL B 38 28.636 12.970 17.983 1.00 0.00 H ATOM 1481 HG13 VAL B 38 27.874 11.418 18.408 1.00 0.00 H ATOM 1482 HG21 VAL B 38 30.645 12.233 19.414 1.00 0.00 H ATOM 1483 HG22 VAL B 38 30.358 11.794 21.115 1.00 0.00 H ATOM 1484 HG23 VAL B 38 29.773 10.732 19.811 1.00 0.00 H ATOM 1485 HN3 VAL B 38 30.845 14.043 20.812 1.00 0.00 H ATOM 1486 HN2 VAL B 38 30.203 15.557 20.384 1.00 0.00 H ATOM 1487 HN1 VAL B 38 30.393 14.350 19.203 1.00 0.00 H ATOM 1488 N PRO B 39 27.922 15.512 22.291 1.00 79.19 N ATOM 1489 CA PRO B 39 27.755 15.927 23.696 1.00 81.35 C ATOM 1490 C PRO B 39 26.663 15.142 24.453 1.00 87.31 C ATOM 1491 O PRO B 39 25.664 14.719 23.855 1.00 90.68 O ATOM 1492 CB PRO B 39 27.408 17.423 23.589 1.00 78.26 C ATOM 1493 CG PRO B 39 26.829 17.602 22.228 1.00 77.42 C ATOM 1494 CD PRO B 39 27.337 16.492 21.349 1.00 78.17 C ATOM 1495 HA PRO B 39 28.654 15.728 24.279 1.00 0.00 H ATOM 1496 HD3 PRO B 39 26.520 16.043 20.784 1.00 0.00 H ATOM 1497 HD2 PRO B 39 28.094 16.863 20.659 1.00 0.00 H ATOM 1498 HG3 PRO B 39 27.136 18.565 21.820 1.00 0.00 H ATOM 1499 HG2 PRO B 39 25.741 17.562 22.282 1.00 0.00 H ATOM 1500 HB2 PRO B 39 26.681 17.701 24.352 1.00 0.00 H ATOM 1501 HB3 PRO B 39 28.305 18.031 23.705 1.00 0.00 H ATOM 1502 N ALA B 40 26.858 14.958 25.756 1.00 82.08 N ATOM 1503 CA ALA B 40 26.012 14.052 26.550 1.00 84.64 C ATOM 1504 C ALA B 40 24.508 14.288 26.396 1.00 81.73 C ATOM 1505 O ALA B 40 23.723 13.345 26.310 1.00 76.38 O ATOM 1506 CB ALA B 40 26.390 14.130 28.018 1.00 85.05 C ATOM 1507 HA ALA B 40 26.205 13.055 26.153 1.00 0.00 H ATOM 1508 HB1 ALA B 40 27.434 13.841 28.139 1.00 0.00 H ATOM 1509 HB2 ALA B 40 26.251 15.151 28.374 1.00 0.00 H ATOM 1510 HB3 ALA B 40 25.755 13.454 28.592 1.00 0.00 H ATOM 1511 H ALA B 40 27.631 15.469 26.228 1.00 0.00 H ATOM 1512 N ASN B 41 24.111 15.550 26.375 1.00 79.76 N ATOM 1513 CA ASN B 41 22.692 15.893 26.302 1.00 77.81 C ATOM 1514 C ASN B 41 22.057 15.498 24.968 1.00 73.00 C ATOM 1515 O ASN B 41 20.866 15.176 24.900 1.00 66.28 O ATOM 1516 CB ASN B 41 22.477 17.383 26.588 1.00 81.09 C ATOM 1517 CG ASN B 41 23.267 18.288 25.658 1.00 82.44 C ATOM 1518 OD1 ASN B 41 24.434 18.032 25.347 1.00 92.97 O ATOM 1519 ND2 ASN B 41 22.636 19.359 25.221 1.00 82.15 N ATOM 1520 HA ASN B 41 22.188 15.311 27.074 1.00 0.00 H ATOM 1521 HB2 ASN B 41 21.417 17.609 26.475 1.00 0.00 H ATOM 1522 HB3 ASN B 41 22.783 17.587 27.614 1.00 0.00 H ATOM 1523 HD22 ASN B 41 21.652 19.536 25.508 1.00 0.00 H ATOM 1524 HD21 ASN B 41 23.122 20.027 24.589 1.00 0.00 H ATOM 1525 H ASN B 41 24.820 16.310 26.411 1.00 0.00 H ATOM 1526 N GLU B 42 22.859 15.501 23.912 1.00 69.01 N ATOM 1527 CA GLU B 42 22.374 15.089 22.603 1.00 72.47 C ATOM 1528 C GLU B 42 22.406 13.575 22.519 1.00 60.69 C ATOM 1529 O GLU B 42 21.529 12.952 21.920 1.00 65.04 O ATOM 1530 CB GLU B 42 23.213 15.717 21.494 1.00 82.24 C ATOM 1531 CG GLU B 42 22.452 15.990 20.203 1.00 93.49 C ATOM 1532 CD GLU B 42 23.364 16.485 19.083 1.00108.40 C ATOM 1533 OE1 GLU B 42 22.854 16.727 17.962 1.00113.63 O ATOM 1534 OE2 GLU B 42 24.593 16.630 19.323 1.00107.01 O ATOM 1535 HA GLU B 42 21.348 15.433 22.470 1.00 0.00 H ATOM 1536 HB2 GLU B 42 23.610 16.663 21.862 1.00 0.00 H ATOM 1537 HB3 GLU B 42 24.038 15.042 21.267 1.00 0.00 H ATOM 1538 HG2 GLU B 42 21.969 15.068 19.880 1.00 0.00 H ATOM 1539 HG3 GLU B 42 21.693 16.748 20.397 1.00 0.00 H ATOM 1540 H GLU B 42 23.849 15.802 24.021 1.00 0.00 H ATOM 1541 N GLN B 43 23.411 12.975 23.128 1.00 54.63 N ATOM 1542 CA GLN B 43 23.411 11.542 23.252 1.00 53.28 C ATOM 1543 C GLN B 43 22.046 11.102 23.825 1.00 54.29 C ATOM 1544 O GLN B 43 21.452 10.132 23.352 1.00 48.02 O ATOM 1545 CB GLN B 43 24.516 11.065 24.185 1.00 58.36 C ATOM 1546 CG GLN B 43 25.937 11.411 23.786 1.00 63.93 C ATOM 1547 CD GLN B 43 26.957 10.856 24.771 1.00 61.39 C ATOM 1548 OE1 GLN B 43 26.654 10.012 25.614 1.00 59.95 O ATOM 1549 NE2 GLN B 43 28.177 11.322 24.654 1.00 66.12 N ATOM 1550 HA GLN B 43 23.584 11.106 22.268 1.00 0.00 H ATOM 1551 HB2 GLN B 43 24.332 11.502 25.167 1.00 0.00 H ATOM 1552 HB3 GLN B 43 24.446 9.979 24.253 1.00 0.00 H ATOM 1553 HG2 GLN B 43 26.137 10.994 22.799 1.00 0.00 H ATOM 1554 HG3 GLN B 43 26.038 12.496 23.748 1.00 0.00 H ATOM 1555 HE22 GLN B 43 28.394 12.035 23.929 1.00 0.00 H ATOM 1556 HE21 GLN B 43 28.928 10.978 25.286 1.00 0.00 H ATOM 1557 H GLN B 43 24.198 13.534 23.516 1.00 0.00 H ATOM 1558 N ILE B 44 21.566 11.839 24.835 1.00 49.77 N ATOM 1559 CA ILE B 44 20.319 11.516 25.548 1.00 51.34 C ATOM 1560 C ILE B 44 19.098 11.785 24.683 1.00 45.47 C ATOM 1561 O ILE B 44 18.197 10.960 24.645 1.00 45.40 O ATOM 1562 CB ILE B 44 20.162 12.278 26.923 1.00 52.82 C ATOM 1563 CG1 ILE B 44 21.276 11.925 27.910 1.00 56.96 C ATOM 1564 CG2 ILE B 44 18.853 11.906 27.620 1.00 48.08 C ATOM 1565 CD1 ILE B 44 21.299 12.839 29.120 1.00 58.99 C ATOM 1566 HA ILE B 44 20.386 10.451 25.770 1.00 0.00 H ATOM 1567 HB ILE B 44 20.194 13.337 26.667 1.00 0.00 H ATOM 1568 HG12 ILE B 44 21.129 10.900 28.250 1.00 0.00 H ATOM 1569 HG13 ILE B 44 22.234 12.002 27.396 1.00 0.00 H ATOM 1570 HD11 ILE B 44 21.455 13.867 28.794 1.00 0.00 H ATOM 1571 HD12 ILE B 44 20.349 12.764 29.648 1.00 0.00 H ATOM 1572 HD13 ILE B 44 22.110 12.540 29.784 1.00 0.00 H ATOM 1573 HG21 ILE B 44 18.013 12.172 26.978 1.00 0.00 H ATOM 1574 HG22 ILE B 44 18.838 10.834 27.814 1.00 0.00 H ATOM 1575 HG23 ILE B 44 18.778 12.448 28.563 1.00 0.00 H ATOM 1576 H ILE B 44 22.100 12.681 25.130 1.00 0.00 H ATOM 1577 N SER B 45 19.036 12.937 24.025 1.00 42.65 N ATOM 1578 CA SER B 45 17.941 13.202 23.090 1.00 45.67 C ATOM 1579 C SER B 45 17.782 12.117 22.008 1.00 41.45 C ATOM 1580 O SER B 45 16.674 11.714 21.635 1.00 41.78 O ATOM 1581 CB SER B 45 18.225 14.512 22.388 1.00 46.52 C ATOM 1582 OG SER B 45 18.267 15.522 23.359 1.00 60.15 O ATOM 1583 HA SER B 45 17.021 13.224 23.673 1.00 0.00 H ATOM 1584 HB2 SER B 45 17.436 14.724 21.666 1.00 0.00 H ATOM 1585 HB3 SER B 45 19.183 14.455 21.871 1.00 0.00 H ATOM 1586 HG SER B 45 18.983 15.321 24.012 1.00 0.00 H ATOM 1587 H SER B 45 19.771 13.657 24.175 1.00 0.00 H ATOM 1588 N GLN B 46 18.922 11.706 21.476 1.00 41.80 N ATOM 1589 CA GLN B 46 18.971 10.765 20.394 1.00 44.56 C ATOM 1590 C GLN B 46 18.450 9.424 20.890 1.00 46.59 C ATOM 1591 O GLN B 46 17.446 8.915 20.360 1.00 48.17 O ATOM 1592 CB GLN B 46 20.395 10.635 19.832 1.00 48.29 C ATOM 1593 CG GLN B 46 20.671 11.599 18.674 1.00 50.09 C ATOM 1594 CD GLN B 46 22.137 11.666 18.262 1.00 50.74 C ATOM 1595 OE1 GLN B 46 22.863 10.675 18.313 1.00 54.61 O ATOM 1596 NE2 GLN B 46 22.571 12.838 17.844 1.00 49.08 N ATOM 1597 HA GLN B 46 18.342 11.119 19.577 1.00 0.00 H ATOM 1598 HB2 GLN B 46 21.105 10.841 20.633 1.00 0.00 H ATOM 1599 HB3 GLN B 46 20.537 9.614 19.476 1.00 0.00 H ATOM 1600 HG2 GLN B 46 20.086 11.277 17.812 1.00 0.00 H ATOM 1601 HG3 GLN B 46 20.353 12.597 18.975 1.00 0.00 H ATOM 1602 HE22 GLN B 46 21.924 13.652 17.816 1.00 0.00 H ATOM 1603 HE21 GLN B 46 23.560 12.949 17.542 1.00 0.00 H ATOM 1604 H GLN B 46 19.815 12.079 21.856 1.00 0.00 H ATOM 1605 N LEU B 47 19.104 8.882 21.923 1.00 45.06 N ATOM 1606 CA LEU B 47 18.692 7.599 22.520 1.00 45.41 C ATOM 1607 C LEU B 47 17.237 7.608 22.959 1.00 38.25 C ATOM 1608 O LEU B 47 16.492 6.645 22.724 1.00 43.30 O ATOM 1609 CB LEU B 47 19.605 7.214 23.695 1.00 48.54 C ATOM 1610 CG LEU B 47 21.095 7.016 23.347 1.00 50.05 C ATOM 1611 CD1 LEU B 47 21.990 6.972 24.602 1.00 48.27 C ATOM 1612 CD2 LEU B 47 21.261 5.769 22.481 1.00 50.23 C ATOM 1613 HA LEU B 47 18.793 6.845 21.739 1.00 0.00 H ATOM 1614 HB2 LEU B 47 19.538 8.003 24.444 1.00 0.00 H ATOM 1615 HB3 LEU B 47 19.232 6.281 24.117 1.00 0.00 H ATOM 1616 HG LEU B 47 21.429 7.882 22.776 1.00 0.00 H ATOM 1617 HD21 LEU B 47 20.898 4.898 23.027 1.00 0.00 H ATOM 1618 HD22 LEU B 47 20.688 5.888 21.562 1.00 0.00 H ATOM 1619 HD23 LEU B 47 22.315 5.634 22.238 1.00 0.00 H ATOM 1620 HD11 LEU B 47 21.893 7.910 25.149 1.00 0.00 H ATOM 1621 HD12 LEU B 47 21.679 6.144 25.239 1.00 0.00 H ATOM 1622 HD13 LEU B 47 23.028 6.831 24.302 1.00 0.00 H ATOM 1623 H LEU B 47 19.928 9.380 22.317 1.00 0.00 H ATOM 1624 N ALA B 48 16.802 8.698 23.569 1.00 42.51 N ATOM 1625 CA ALA B 48 15.393 8.789 24.016 1.00 40.79 C ATOM 1626 C ALA B 48 14.416 8.814 22.841 1.00 45.03 C ATOM 1627 O ALA B 48 13.238 8.413 22.967 1.00 41.86 O ATOM 1628 CB ALA B 48 15.173 10.036 24.851 1.00 43.40 C ATOM 1629 HA ALA B 48 15.201 7.897 24.613 1.00 0.00 H ATOM 1630 HB1 ALA B 48 15.819 10.003 25.728 1.00 0.00 H ATOM 1631 HB2 ALA B 48 15.411 10.917 24.255 1.00 0.00 H ATOM 1632 HB3 ALA B 48 14.131 10.081 25.168 1.00 0.00 H ATOM 1633 H ALA B 48 17.451 9.493 23.735 1.00 0.00 H ATOM 1634 N SER B 49 14.890 9.380 21.731 1.00 40.24 N ATOM 1635 CA SER B 49 14.108 9.375 20.509 1.00 38.90 C ATOM 1636 C SER B 49 13.953 7.955 19.979 1.00 32.61 C ATOM 1637 O SER B 49 12.873 7.559 19.551 1.00 37.40 O ATOM 1638 CB SER B 49 14.764 10.325 19.534 1.00 39.81 C ATOM 1639 OG SER B 49 14.587 11.646 20.037 1.00 40.35 O ATOM 1640 HA SER B 49 13.091 9.725 20.685 1.00 0.00 H ATOM 1641 HB2 SER B 49 14.296 10.234 18.554 1.00 0.00 H ATOM 1642 HB3 SER B 49 15.827 10.098 19.451 1.00 0.00 H ATOM 1643 HG SER B 49 15.011 11.718 20.929 1.00 0.00 H ATOM 1644 H SER B 49 15.828 9.829 21.741 1.00 0.00 H ATOM 1645 N LEU B 50 15.011 7.164 20.059 1.00 32.81 N ATOM 1646 CA LEU B 50 14.954 5.768 19.623 1.00 31.94 C ATOM 1647 C LEU B 50 14.088 4.935 20.513 1.00 33.15 C ATOM 1648 O LEU B 50 13.341 4.016 20.092 1.00 28.07 O ATOM 1649 CB LEU B 50 16.358 5.211 19.648 1.00 35.80 C ATOM 1650 CG LEU B 50 17.378 5.792 18.656 1.00 39.70 C ATOM 1651 CD1 LEU B 50 18.813 5.319 18.988 1.00 37.58 C ATOM 1652 CD2 LEU B 50 16.939 5.313 17.267 1.00 38.61 C ATOM 1653 HA LEU B 50 14.525 5.737 18.621 1.00 0.00 H ATOM 1654 HB2 LEU B 50 16.753 5.370 20.651 1.00 0.00 H ATOM 1655 HB3 LEU B 50 16.287 4.141 19.452 1.00 0.00 H ATOM 1656 HG LEU B 50 17.402 6.881 18.706 1.00 0.00 H ATOM 1657 HD21 LEU B 50 16.942 4.223 17.242 1.00 0.00 H ATOM 1658 HD22 LEU B 50 15.934 5.680 17.059 1.00 0.00 H ATOM 1659 HD23 LEU B 50 17.630 5.697 16.517 1.00 0.00 H ATOM 1660 HD11 LEU B 50 19.079 5.647 19.993 1.00 0.00 H ATOM 1661 HD12 LEU B 50 18.857 4.231 18.936 1.00 0.00 H ATOM 1662 HD13 LEU B 50 19.511 5.747 18.268 1.00 0.00 H ATOM 1663 H LEU B 50 15.902 7.542 20.440 1.00 0.00 H ATOM 1664 N VAL B 51 14.186 5.237 21.807 1.00 38.36 N ATOM 1665 CA VAL B 51 13.326 4.537 22.774 1.00 34.63 C ATOM 1666 C VAL B 51 11.868 4.900 22.557 1.00 30.48 C ATOM 1667 O VAL B 51 11.027 4.020 22.531 1.00 31.28 O ATOM 1668 CB VAL B 51 13.711 4.836 24.256 1.00 34.37 C ATOM 1669 CG1 VAL B 51 12.720 4.130 25.174 1.00 33.24 C ATOM 1670 CG2 VAL B 51 15.145 4.406 24.519 1.00 30.69 C ATOM 1671 HA VAL B 51 13.478 3.472 22.598 1.00 0.00 H ATOM 1672 HB VAL B 51 13.658 5.906 24.455 1.00 0.00 H ATOM 1673 HG11 VAL B 51 11.714 4.498 24.972 1.00 0.00 H ATOM 1674 HG12 VAL B 51 12.759 3.056 24.991 1.00 0.00 H ATOM 1675 HG13 VAL B 51 12.981 4.333 26.213 1.00 0.00 H ATOM 1676 HG21 VAL B 51 15.242 3.337 24.332 1.00 0.00 H ATOM 1677 HG22 VAL B 51 15.815 4.955 23.857 1.00 0.00 H ATOM 1678 HG23 VAL B 51 15.403 4.620 25.556 1.00 0.00 H ATOM 1679 H VAL B 51 14.862 5.959 22.129 1.00 0.00 H ATOM 1680 N ALA B 52 11.557 6.197 22.459 1.00 31.88 N ATOM 1681 CA ALA B 52 10.187 6.636 22.294 1.00 29.10 C ATOM 1682 C ALA B 52 9.559 6.083 20.996 1.00 32.79 C ATOM 1683 O ALA B 52 8.380 5.627 20.982 1.00 33.90 O ATOM 1684 CB ALA B 52 10.142 8.148 22.298 1.00 30.93 C ATOM 1685 HA ALA B 52 9.601 6.247 23.127 1.00 0.00 H ATOM 1686 HB1 ALA B 52 10.533 8.519 23.245 1.00 0.00 H ATOM 1687 HB2 ALA B 52 10.749 8.530 21.478 1.00 0.00 H ATOM 1688 HB3 ALA B 52 9.111 8.480 22.174 1.00 0.00 H ATOM 1689 H ALA B 52 12.316 6.906 22.502 1.00 0.00 H ATOM 1690 N ALA B 53 10.348 6.093 19.909 1.00 32.09 N ATOM 1691 CA ALA B 53 9.840 5.628 18.592 1.00 30.83 C ATOM 1692 C ALA B 53 9.568 4.124 18.605 1.00 29.13 C ATOM 1693 O ALA B 53 8.587 3.635 18.018 1.00 32.63 O ATOM 1694 CB ALA B 53 10.858 5.984 17.517 1.00 32.21 C ATOM 1695 HA ALA B 53 8.894 6.125 18.378 1.00 0.00 H ATOM 1696 HB1 ALA B 53 11.001 7.064 17.497 1.00 0.00 H ATOM 1697 HB2 ALA B 53 11.806 5.495 17.740 1.00 0.00 H ATOM 1698 HB3 ALA B 53 10.493 5.646 16.547 1.00 0.00 H ATOM 1699 H ALA B 53 11.328 6.431 19.990 1.00 0.00 H ATOM 1700 N SER B 54 10.405 3.385 19.330 1.00 29.88 N ATOM 1701 CA SER B 54 10.199 1.927 19.472 1.00 32.24 C ATOM 1702 C SER B 54 8.937 1.583 20.254 1.00 36.31 C ATOM 1703 O SER B 54 8.254 0.603 19.961 1.00 33.64 O ATOM 1704 CB SER B 54 11.374 1.280 20.179 1.00 35.35 C ATOM 1705 OG SER B 54 12.599 1.562 19.558 1.00 38.24 O ATOM 1706 HA SER B 54 10.100 1.544 18.456 1.00 0.00 H ATOM 1707 HB2 SER B 54 11.226 0.200 20.186 1.00 0.00 H ATOM 1708 HB3 SER B 54 11.410 1.647 21.205 1.00 0.00 H ATOM 1709 HG SER B 54 12.748 2.541 19.553 1.00 0.00 H ATOM 1710 H SER B 54 11.213 3.838 19.802 1.00 0.00 H ATOM 1711 N LYS B 55 8.628 2.410 21.252 1.00 33.07 N ATOM 1712 CA LYS B 55 7.419 2.230 22.012 1.00 32.78 C ATOM 1713 C LYS B 55 6.236 2.610 21.157 1.00 30.50 C ATOM 1714 O LYS B 55 5.229 1.927 21.175 1.00 28.39 O ATOM 1715 CB LYS B 55 7.399 3.124 23.300 1.00 32.08 C ATOM 1716 CG LYS B 55 6.112 2.909 24.117 1.00 37.17 C ATOM 1717 CD LYS B 55 6.258 3.254 25.615 1.00 39.37 C ATOM 1718 CE LYS B 55 5.007 2.838 26.436 1.00 41.07 C ATOM 1719 NZ LYS B 55 5.208 2.779 27.945 1.00 40.78 N ATOM 1720 HA LYS B 55 7.372 1.184 22.314 1.00 0.00 H ATOM 1721 HB2 LYS B 55 8.259 2.871 23.920 1.00 0.00 H ATOM 1722 HB3 LYS B 55 7.461 4.172 23.005 1.00 0.00 H ATOM 1723 HG2 LYS B 55 5.328 3.537 23.695 1.00 0.00 H ATOM 1724 HG3 LYS B 55 5.822 1.862 24.032 1.00 0.00 H ATOM 1725 HD2 LYS B 55 7.129 2.733 26.013 1.00 0.00 H ATOM 1726 HD3 LYS B 55 6.403 4.330 25.716 1.00 0.00 H ATOM 1727 HE2 LYS B 55 4.696 1.849 26.099 1.00 0.00 H ATOM 1728 HE3 LYS B 55 4.214 3.557 26.230 1.00 0.00 H ATOM 1729 HZ1 LYS B 55 5.951 2.087 28.168 1.00 0.00 H ATOM 1730 HZ2 LYS B 55 5.491 3.717 28.293 1.00 0.00 H ATOM 1731 HZ3 LYS B 55 4.318 2.493 28.401 1.00 0.00 H ATOM 1732 H LYS B 55 9.269 3.196 21.485 1.00 0.00 H ATOM 1733 N TYR B 56 6.335 3.761 20.510 1.00 28.65 N ATOM 1734 CA TYR B 56 5.357 4.132 19.463 1.00 31.99 C ATOM 1735 C TYR B 56 5.096 2.957 18.507 1.00 29.39 C ATOM 1736 O TYR B 56 3.942 2.584 18.254 1.00 32.76 O ATOM 1737 CB TYR B 56 5.860 5.350 18.691 1.00 32.42 C ATOM 1738 CG TYR B 56 4.770 5.928 17.874 1.00 33.88 C ATOM 1739 CD1 TYR B 56 4.493 5.459 16.610 1.00 34.23 C ATOM 1740 CD2 TYR B 56 3.983 6.941 18.386 1.00 36.60 C ATOM 1741 CE1 TYR B 56 3.428 5.984 15.886 1.00 34.95 C ATOM 1742 CE2 TYR B 56 2.906 7.446 17.696 1.00 37.71 C ATOM 1743 CZ TYR B 56 2.662 6.979 16.411 1.00 37.34 C ATOM 1744 OH TYR B 56 1.593 7.519 15.738 1.00 38.08 O ATOM 1745 HA TYR B 56 4.413 4.382 19.946 1.00 0.00 H ATOM 1746 HB3 TYR B 56 6.678 5.049 18.037 1.00 0.00 H ATOM 1747 HB2 TYR B 56 6.217 6.100 19.396 1.00 0.00 H ATOM 1748 HD2 TYR B 56 4.223 7.353 19.366 1.00 0.00 H ATOM 1749 HE2 TYR B 56 2.258 8.197 18.148 1.00 0.00 H ATOM 1750 HE1 TYR B 56 3.205 5.596 14.892 1.00 0.00 H ATOM 1751 HD1 TYR B 56 5.111 4.673 16.175 1.00 0.00 H ATOM 1752 HH TYR B 56 1.527 7.106 14.841 1.00 0.00 H ATOM 1753 H TYR B 56 7.111 4.414 20.741 1.00 0.00 H ATOM 1754 N LEU B 57 6.168 2.359 18.000 1.00 29.83 N ATOM 1755 CA LEU B 57 5.993 1.175 17.110 1.00 31.12 C ATOM 1756 C LEU B 57 5.202 0.073 17.767 1.00 31.37 C ATOM 1757 O LEU B 57 4.261 -0.522 17.210 1.00 30.25 O ATOM 1758 CB LEU B 57 7.374 0.643 16.679 1.00 33.81 C ATOM 1759 CG LEU B 57 8.095 1.425 15.555 1.00 38.95 C ATOM 1760 CD1 LEU B 57 9.511 0.902 15.298 1.00 38.57 C ATOM 1761 CD2 LEU B 57 7.275 1.340 14.286 1.00 37.24 C ATOM 1762 HA LEU B 57 5.427 1.502 16.238 1.00 0.00 H ATOM 1763 HB2 LEU B 57 8.021 0.651 17.556 1.00 0.00 H ATOM 1764 HB3 LEU B 57 7.242 -0.383 16.336 1.00 0.00 H ATOM 1765 HG LEU B 57 8.190 2.462 15.877 1.00 0.00 H ATOM 1766 HD21 LEU B 57 7.166 0.295 13.994 1.00 0.00 H ATOM 1767 HD22 LEU B 57 6.291 1.774 14.461 1.00 0.00 H ATOM 1768 HD23 LEU B 57 7.780 1.890 13.491 1.00 0.00 H ATOM 1769 HD11 LEU B 57 10.103 0.997 16.209 1.00 0.00 H ATOM 1770 HD12 LEU B 57 9.462 -0.146 15.002 1.00 0.00 H ATOM 1771 HD13 LEU B 57 9.973 1.484 14.501 1.00 0.00 H ATOM 1772 H LEU B 57 7.121 2.713 18.221 1.00 0.00 H ATOM 1773 N ARG B 58 5.583 -0.216 19.003 1.00 31.72 N ATOM 1774 CA ARG B 58 4.963 -1.345 19.722 1.00 29.23 C ATOM 1775 C ARG B 58 3.489 -1.141 19.887 1.00 27.80 C ATOM 1776 O ARG B 58 2.656 -2.067 19.632 1.00 26.87 O ATOM 1777 CB ARG B 58 5.620 -1.575 21.112 1.00 33.21 C ATOM 1778 CG ARG B 58 5.268 -2.961 21.668 1.00 34.77 C ATOM 1779 CD ARG B 58 5.814 -3.227 23.092 1.00 35.88 C ATOM 1780 NE ARG B 58 5.373 -2.200 24.039 1.00 33.57 N ATOM 1781 CZ ARG B 58 6.175 -1.493 24.849 1.00 31.98 C ATOM 1782 NH1 ARG B 58 7.475 -1.723 24.905 1.00 37.30 N ATOM 1783 NH2 ARG B 58 5.644 -0.549 25.646 1.00 34.53 N ATOM 1784 HA ARG B 58 5.130 -2.233 19.113 1.00 0.00 H ATOM 1785 HB2 ARG B 58 6.702 -1.496 21.012 1.00 0.00 H ATOM 1786 HB3 ARG B 58 5.264 -0.812 21.805 1.00 0.00 H ATOM 1787 HG2 ARG B 58 4.182 -3.054 21.694 1.00 0.00 H ATOM 1788 HG3 ARG B 58 5.680 -3.714 20.997 1.00 0.00 H ATOM 1789 HD2 ARG B 58 6.903 -3.233 23.058 1.00 0.00 H ATOM 1790 HD3 ARG B 58 5.457 -4.199 23.432 1.00 0.00 H ATOM 1791 HE ARG B 58 4.353 -2.003 24.087 1.00 0.00 H ATOM 1792 HH12 ARG B 58 8.076 -1.161 25.541 1.00 0.00 H ATOM 1793 HH11 ARG B 58 7.898 -2.466 24.313 1.00 0.00 H ATOM 1794 HH22 ARG B 58 6.258 0.004 26.277 1.00 0.00 H ATOM 1795 HH21 ARG B 58 4.619 -0.372 25.631 1.00 0.00 H ATOM 1796 H ARG B 58 6.320 0.354 19.466 1.00 0.00 H ATOM 1797 N VAL B 59 3.137 0.076 20.280 1.00 28.16 N ATOM 1798 CA VAL B 59 1.794 0.342 20.679 1.00 31.59 C ATOM 1799 C VAL B 59 0.961 0.943 19.556 1.00 32.45 C ATOM 1800 O VAL B 59 -0.119 0.475 19.284 1.00 32.71 O ATOM 1801 CB VAL B 59 1.759 1.348 21.844 1.00 33.32 C ATOM 1802 CG1 VAL B 59 0.289 1.596 22.242 1.00 33.16 C ATOM 1803 CG2 VAL B 59 2.568 0.860 23.059 1.00 35.13 C ATOM 1804 HA VAL B 59 1.378 -0.622 20.971 1.00 0.00 H ATOM 1805 HB VAL B 59 2.223 2.276 21.511 1.00 0.00 H ATOM 1806 HG11 VAL B 59 -0.254 2.000 21.388 1.00 0.00 H ATOM 1807 HG12 VAL B 59 -0.166 0.655 22.552 1.00 0.00 H ATOM 1808 HG13 VAL B 59 0.252 2.308 23.067 1.00 0.00 H ATOM 1809 HG21 VAL B 59 2.154 -0.084 23.414 1.00 0.00 H ATOM 1810 HG22 VAL B 59 3.608 0.716 22.767 1.00 0.00 H ATOM 1811 HG23 VAL B 59 2.512 1.604 23.854 1.00 0.00 H ATOM 1812 H VAL B 59 3.843 0.839 20.297 1.00 0.00 H ATOM 1813 N GLN B 60 1.416 2.039 18.963 1.00 35.96 N ATOM 1814 CA GLN B 60 0.591 2.669 17.917 1.00 41.88 C ATOM 1815 C GLN B 60 0.581 1.834 16.592 1.00 40.40 C ATOM 1816 O GLN B 60 -0.472 1.625 15.965 1.00 43.25 O ATOM 1817 CB GLN B 60 1.066 4.074 17.654 1.00 42.30 C ATOM 1818 CG GLN B 60 0.985 4.964 18.848 1.00 45.22 C ATOM 1819 CD GLN B 60 -0.332 4.852 19.563 1.00 49.15 C ATOM 1820 OE1 GLN B 60 -1.376 4.910 18.955 1.00 51.18 O ATOM 1821 NE2 GLN B 60 -0.286 4.701 20.866 1.00 51.23 N ATOM 1822 HA GLN B 60 -0.435 2.702 18.284 1.00 0.00 H ATOM 1823 HB2 GLN B 60 2.104 4.031 17.325 1.00 0.00 H ATOM 1824 HB3 GLN B 60 0.453 4.503 16.862 1.00 0.00 H ATOM 1825 HG2 GLN B 60 1.783 4.694 19.540 1.00 0.00 H ATOM 1826 HG3 GLN B 60 1.120 5.996 18.525 1.00 0.00 H ATOM 1827 HE22 GLN B 60 0.632 4.656 21.352 1.00 0.00 H ATOM 1828 HE21 GLN B 60 -1.168 4.627 21.412 1.00 0.00 H ATOM 1829 H GLN B 60 2.335 2.445 19.231 1.00 0.00 H ATOM 1830 N CYS B 61 1.731 1.314 16.211 1.00 36.62 N ATOM 1831 CA CYS B 61 1.828 0.463 15.006 1.00 37.82 C ATOM 1832 C CYS B 61 1.702 -1.034 15.249 1.00 36.16 C ATOM 1833 O CYS B 61 1.877 -1.851 14.341 1.00 36.13 O ATOM 1834 CB CYS B 61 3.150 0.777 14.279 1.00 37.21 C ATOM 1835 SG CYS B 61 3.542 2.543 14.308 1.00 39.29 S ATOM 1836 HA CYS B 61 0.962 0.712 14.392 1.00 0.00 H ATOM 1837 HB2 CYS B 61 3.066 0.453 13.242 1.00 0.00 H ATOM 1838 HB3 CYS B 61 3.957 0.230 14.766 1.00 0.00 H ATOM 1839 HG CYS B 61 2.973 2.476 15.563 1.00 0.00 H ATOM 1840 H CYS B 61 2.587 1.506 16.769 1.00 0.00 H ATOM 1841 N GLU B 62 1.351 -1.434 16.461 1.00 32.94 N ATOM 1842 CA GLU B 62 1.105 -2.811 16.731 1.00 27.06 C ATOM 1843 C GLU B 62 2.261 -3.716 16.384 1.00 25.63 C ATOM 1844 O GLU B 62 2.086 -4.877 15.975 1.00 26.21 O ATOM 1845 CB GLU B 62 -0.182 -3.317 16.039 1.00 31.35 C ATOM 1846 CG GLU B 62 -1.447 -2.464 16.212 1.00 33.44 C ATOM 1847 CD GLU B 62 -2.020 -2.398 17.669 1.00 39.34 C ATOM 1848 OE1 GLU B 62 -1.628 -3.212 18.547 1.00 38.33 O ATOM 1849 OE2 GLU B 62 -2.884 -1.522 17.928 1.00 38.05 O ATOM 1850 HA GLU B 62 0.972 -2.860 17.812 1.00 0.00 H ATOM 1851 HB2 GLU B 62 0.024 -3.387 14.971 1.00 0.00 H ATOM 1852 HB3 GLU B 62 -0.398 -4.310 16.432 1.00 0.00 H ATOM 1853 HG2 GLU B 62 -1.213 -1.447 15.896 1.00 0.00 H ATOM 1854 HG3 GLU B 62 -2.221 -2.875 15.564 1.00 0.00 H ATOM 1855 H GLU B 62 1.254 -0.735 17.225 1.00 0.00 H ATOM 1856 N ARG B 63 3.453 -3.242 16.615 1.00 29.26 N ATOM 1857 CA ARG B 63 4.608 -4.122 16.534 1.00 29.62 C ATOM 1858 C ARG B 63 4.741 -5.003 17.750 1.00 32.04 C ATOM 1859 O ARG B 63 5.644 -4.806 18.571 1.00 33.91 O ATOM 1860 CB ARG B 63 5.871 -3.304 16.359 1.00 30.60 C ATOM 1861 CG ARG B 63 5.904 -2.523 15.040 1.00 35.14 C ATOM 1862 CD ARG B 63 6.038 -3.479 13.847 1.00 34.22 C ATOM 1863 NE ARG B 63 7.160 -4.392 13.947 1.00 31.33 N ATOM 1864 CZ ARG B 63 8.405 -4.120 13.566 1.00 34.17 C ATOM 1865 NH1 ARG B 63 8.739 -2.961 13.007 1.00 33.52 N ATOM 1866 NH2 ARG B 63 9.322 -5.061 13.673 1.00 34.72 N ATOM 1867 HA ARG B 63 4.460 -4.770 15.670 1.00 0.00 H ATOM 1868 HB2 ARG B 63 5.943 -2.595 17.184 1.00 0.00 H ATOM 1869 HB3 ARG B 63 6.727 -3.978 16.385 1.00 0.00 H ATOM 1870 HG2 ARG B 63 4.981 -1.951 14.939 1.00 0.00 H ATOM 1871 HG3 ARG B 63 6.754 -1.840 15.049 1.00 0.00 H ATOM 1872 HD2 ARG B 63 6.160 -2.884 12.942 1.00 0.00 H ATOM 1873 HD3 ARG B 63 5.123 -4.067 13.774 1.00 0.00 H ATOM 1874 HE ARG B 63 6.977 -5.334 14.348 1.00 0.00 H ATOM 1875 HH12 ARG B 63 9.724 -2.786 12.722 1.00 0.00 H ATOM 1876 HH11 ARG B 63 8.015 -2.230 12.854 1.00 0.00 H ATOM 1877 HH22 ARG B 63 10.301 -4.868 13.381 1.00 0.00 H ATOM 1878 HH21 ARG B 63 9.066 -5.996 14.050 1.00 0.00 H ATOM 1879 H ARG B 63 3.578 -2.238 16.856 1.00 0.00 H ATOM 1880 N SER B 64 3.875 -6.016 17.770 1.00 34.86 N ATOM 1881 CA SER B 64 3.734 -7.001 18.789 1.00 36.49 C ATOM 1882 C SER B 64 4.918 -7.905 18.885 1.00 41.53 C ATOM 1883 O SER B 64 5.004 -8.719 19.811 1.00 37.29 O ATOM 1884 CB SER B 64 2.507 -7.822 18.531 1.00 41.41 C ATOM 1885 OG SER B 64 2.555 -8.430 17.256 1.00 45.00 O ATOM 1886 HA SER B 64 3.649 -6.469 19.737 1.00 0.00 H ATOM 1887 HB2 SER B 64 1.630 -7.177 18.584 1.00 0.00 H ATOM 1888 HB3 SER B 64 2.432 -8.598 19.292 1.00 0.00 H ATOM 1889 HG SER B 64 1.733 -8.964 17.115 1.00 0.00 H ATOM 1890 H SER B 64 3.234 -6.096 16.955 1.00 0.00 H ATOM 1891 N ASP B 65 5.866 -7.728 17.977 1.00 35.80 N ATOM 1892 CA ASP B 65 7.089 -8.471 18.028 1.00 33.91 C ATOM 1893 C ASP B 65 8.173 -7.788 18.894 1.00 32.71 C ATOM 1894 O ASP B 65 9.182 -8.389 19.197 1.00 29.86 O ATOM 1895 CB ASP B 65 7.583 -8.732 16.565 1.00 37.77 C ATOM 1896 CG ASP B 65 7.826 -7.456 15.758 1.00 33.25 C ATOM 1897 OD1 ASP B 65 7.000 -6.541 15.743 1.00 33.21 O ATOM 1898 OD2 ASP B 65 8.907 -7.349 15.152 1.00 37.09 O ATOM 1899 HA ASP B 65 6.894 -9.424 18.520 1.00 0.00 H ATOM 1900 HB2 ASP B 65 8.517 -9.292 16.612 1.00 0.00 H ATOM 1901 HB3 ASP B 65 6.830 -9.327 16.049 1.00 0.00 H ATOM 1902 H ASP B 65 5.719 -7.037 17.214 1.00 0.00 H ATOM 1903 N LEU B 66 7.983 -6.523 19.235 1.00 32.58 N ATOM 1904 CA LEU B 66 8.905 -5.749 20.028 1.00 33.96 C ATOM 1905 C LEU B 66 8.718 -5.954 21.585 1.00 36.79 C ATOM 1906 O LEU B 66 7.604 -6.119 22.068 1.00 30.39 O ATOM 1907 CB LEU B 66 8.686 -4.272 19.715 1.00 35.14 C ATOM 1908 CG LEU B 66 8.814 -3.895 18.242 1.00 36.10 C ATOM 1909 CD1 LEU B 66 8.798 -2.374 18.108 1.00 35.81 C ATOM 1910 CD2 LEU B 66 10.114 -4.465 17.745 1.00 36.75 C ATOM 1911 HA LEU B 66 9.910 -6.085 19.772 1.00 0.00 H ATOM 1912 HB2 LEU B 66 7.684 -4.002 20.047 1.00 0.00 H ATOM 1913 HB3 LEU B 66 9.421 -3.695 20.276 1.00 0.00 H ATOM 1914 HG LEU B 66 7.987 -4.293 17.654 1.00 0.00 H ATOM 1915 HD21 LEU B 66 10.938 -4.044 18.321 1.00 0.00 H ATOM 1916 HD22 LEU B 66 10.103 -5.549 17.863 1.00 0.00 H ATOM 1917 HD23 LEU B 66 10.240 -4.215 16.692 1.00 0.00 H ATOM 1918 HD11 LEU B 66 7.860 -1.985 18.505 1.00 0.00 H ATOM 1919 HD12 LEU B 66 9.633 -1.952 18.667 1.00 0.00 H ATOM 1920 HD13 LEU B 66 8.889 -2.102 17.056 1.00 0.00 H ATOM 1921 H LEU B 66 7.112 -6.057 18.910 1.00 0.00 H ATOM 1922 N PRO B 67 9.812 -5.890 22.346 1.00 36.50 N ATOM 1923 CA PRO B 67 9.750 -6.207 23.752 1.00 39.33 C ATOM 1924 C PRO B 67 9.390 -5.001 24.635 1.00 38.79 C ATOM 1925 O PRO B 67 9.110 -3.863 24.161 1.00 33.91 O ATOM 1926 CB PRO B 67 11.185 -6.652 24.030 1.00 38.05 C ATOM 1927 CG PRO B 67 11.976 -5.681 23.251 1.00 39.43 C ATOM 1928 CD PRO B 67 11.180 -5.513 21.966 1.00 39.00 C ATOM 1929 HA PRO B 67 8.978 -6.943 23.977 1.00 0.00 H ATOM 1930 HD3 PRO B 67 11.216 -4.480 21.619 1.00 0.00 H ATOM 1931 HD2 PRO B 67 11.561 -6.171 21.185 1.00 0.00 H ATOM 1932 HG3 PRO B 67 12.973 -6.070 23.043 1.00 0.00 H ATOM 1933 HG2 PRO B 67 12.061 -4.733 23.783 1.00 0.00 H ATOM 1934 HB2 PRO B 67 11.419 -6.589 25.093 1.00 0.00 H ATOM 1935 HB3 PRO B 67 11.357 -7.670 23.682 1.00 0.00 H ATOM 1936 N ASP B 68 9.460 -5.270 25.934 1.00 36.55 N ATOM 1937 CA ASP B 68 9.053 -4.336 26.996 1.00 32.88 C ATOM 1938 C ASP B 68 9.946 -3.121 27.064 1.00 28.19 C ATOM 1939 O ASP B 68 11.033 -3.198 26.572 1.00 29.24 O ATOM 1940 CB ASP B 68 9.169 -5.095 28.325 1.00 33.77 C ATOM 1941 CG ASP B 68 10.590 -5.375 28.691 1.00 29.87 C ATOM 1942 OD1 ASP B 68 11.275 -4.469 29.264 1.00 36.14 O ATOM 1943 OD2 ASP B 68 11.079 -6.483 28.362 1.00 33.01 O ATOM 1944 HA ASP B 68 8.040 -3.988 26.793 1.00 0.00 H ATOM 1945 HB2 ASP B 68 8.715 -4.495 29.113 1.00 0.00 H ATOM 1946 HB3 ASP B 68 8.635 -6.041 28.237 1.00 0.00 H ATOM 1947 H ASP B 68 9.826 -6.201 26.219 1.00 0.00 H ATOM 1948 N ASP B 69 9.519 -2.037 27.731 1.00 27.93 N ATOM 1949 CA ASP B 69 10.296 -0.790 27.855 1.00 28.90 C ATOM 1950 C ASP B 69 11.630 -0.893 28.457 1.00 31.73 C ATOM 1951 O ASP B 69 12.508 -0.095 28.137 1.00 33.17 O ATOM 1952 CB ASP B 69 9.551 0.307 28.637 1.00 33.63 C ATOM 1953 CG ASP B 69 8.188 0.666 28.021 1.00 36.39 C ATOM 1954 OD1 ASP B 69 7.861 0.083 26.981 1.00 40.78 O ATOM 1955 OD2 ASP B 69 7.421 1.509 28.571 1.00 36.97 O ATOM 1956 HA ASP B 69 10.424 -0.534 26.803 1.00 0.00 H ATOM 1957 HB2 ASP B 69 9.390 -0.042 29.657 1.00 0.00 H ATOM 1958 HB3 ASP B 69 10.171 1.203 28.654 1.00 0.00 H ATOM 1959 H ASP B 69 8.585 -2.079 28.187 1.00 0.00 H ATOM 1960 N GLY B 70 11.820 -1.879 29.319 1.00 37.93 N ATOM 1961 CA GLY B 70 13.127 -2.060 29.970 1.00 33.84 C ATOM 1962 C GLY B 70 14.153 -2.626 29.019 1.00 33.57 C ATOM 1963 O GLY B 70 15.274 -2.174 28.998 1.00 31.41 O ATOM 1964 HA3 GLY B 70 13.011 -2.743 30.812 1.00 0.00 H ATOM 1965 HA2 GLY B 70 13.477 -1.094 30.333 1.00 0.00 H ATOM 1966 H GLY B 70 11.040 -2.531 29.538 1.00 0.00 H ATOM 1967 N THR B 71 13.770 -3.620 28.243 1.00 32.00 N ATOM 1968 CA THR B 71 14.669 -4.158 27.181 1.00 35.41 C ATOM 1969 C THR B 71 14.983 -3.089 26.131 1.00 35.50 C ATOM 1970 O THR B 71 16.099 -2.982 25.619 1.00 38.88 O ATOM 1971 CB THR B 71 13.949 -5.259 26.467 1.00 35.54 C ATOM 1972 OG1 THR B 71 13.423 -6.157 27.451 1.00 34.52 O ATOM 1973 CG2 THR B 71 14.877 -5.986 25.446 1.00 35.62 C ATOM 1974 HA THR B 71 15.591 -4.497 27.654 1.00 0.00 H ATOM 1975 HB THR B 71 13.130 -4.846 25.878 1.00 0.00 H ATOM 1976 HG1 THR B 71 12.798 -5.667 28.043 1.00 0.00 H ATOM 1977 HG23 THR B 71 15.252 -5.265 24.720 1.00 0.00 H ATOM 1978 HG21 THR B 71 15.715 -6.438 25.977 1.00 0.00 H ATOM 1979 HG22 THR B 71 14.311 -6.762 24.931 1.00 0.00 H ATOM 1980 H THR B 71 12.826 -4.036 28.373 1.00 0.00 H ATOM 1981 N ILE B 72 13.980 -2.266 25.846 1.00 35.02 N ATOM 1982 CA ILE B 72 14.190 -1.187 24.930 1.00 32.97 C ATOM 1983 C ILE B 72 15.228 -0.230 25.484 1.00 36.45 C ATOM 1984 O ILE B 72 16.146 0.158 24.763 1.00 33.68 O ATOM 1985 CB ILE B 72 12.895 -0.479 24.564 1.00 31.59 C ATOM 1986 CG1 ILE B 72 11.967 -1.415 23.791 1.00 30.52 C ATOM 1987 CG2 ILE B 72 13.177 0.734 23.666 1.00 33.16 C ATOM 1988 CD1 ILE B 72 10.655 -0.743 23.464 1.00 29.18 C ATOM 1989 HA ILE B 72 14.572 -1.604 23.998 1.00 0.00 H ATOM 1990 HB ILE B 72 12.426 -0.163 25.496 1.00 0.00 H ATOM 1991 HG12 ILE B 72 12.455 -1.712 22.863 1.00 0.00 H ATOM 1992 HG13 ILE B 72 11.771 -2.300 24.396 1.00 0.00 H ATOM 1993 HD11 ILE B 72 10.159 -0.449 24.389 1.00 0.00 H ATOM 1994 HD12 ILE B 72 10.843 0.140 22.854 1.00 0.00 H ATOM 1995 HD13 ILE B 72 10.020 -1.437 22.914 1.00 0.00 H ATOM 1996 HG21 ILE B 72 13.825 1.433 24.195 1.00 0.00 H ATOM 1997 HG22 ILE B 72 13.669 0.401 22.752 1.00 0.00 H ATOM 1998 HG23 ILE B 72 12.237 1.226 23.416 1.00 0.00 H ATOM 1999 H ILE B 72 13.048 -2.405 26.286 1.00 0.00 H ATOM 2000 N LEU B 73 15.137 0.103 26.775 1.00 40.12 N ATOM 2001 CA LEU B 73 16.154 0.981 27.411 1.00 38.03 C ATOM 2002 C LEU B 73 17.554 0.372 27.465 1.00 35.12 C ATOM 2003 O LEU B 73 18.540 1.045 27.213 1.00 36.93 O ATOM 2004 CB LEU B 73 15.716 1.407 28.818 1.00 38.46 C ATOM 2005 CG LEU B 73 14.734 2.554 28.877 1.00 44.87 C ATOM 2006 CD1 LEU B 73 14.082 2.613 30.258 1.00 50.56 C ATOM 2007 CD2 LEU B 73 15.435 3.869 28.552 1.00 46.74 C ATOM 2008 HA LEU B 73 16.220 1.857 26.765 1.00 0.00 H ATOM 2009 HB2 LEU B 73 15.255 0.545 29.301 1.00 0.00 H ATOM 2010 HB3 LEU B 73 16.607 1.700 29.373 1.00 0.00 H ATOM 2011 HG LEU B 73 13.954 2.392 28.133 1.00 0.00 H ATOM 2012 HD21 LEU B 73 16.231 4.044 29.276 1.00 0.00 H ATOM 2013 HD22 LEU B 73 15.860 3.815 27.550 1.00 0.00 H ATOM 2014 HD23 LEU B 73 14.714 4.685 28.599 1.00 0.00 H ATOM 2015 HD11 LEU B 73 13.555 1.678 30.450 1.00 0.00 H ATOM 2016 HD12 LEU B 73 14.852 2.760 31.016 1.00 0.00 H ATOM 2017 HD13 LEU B 73 13.376 3.443 30.290 1.00 0.00 H ATOM 2018 H LEU B 73 14.344 -0.257 27.343 1.00 0.00 H ATOM 2019 N LYS B 74 17.615 -0.894 27.836 1.00 41.25 N ATOM 2020 CA LYS B 74 18.834 -1.725 27.785 1.00 44.53 C ATOM 2021 C LYS B 74 19.549 -1.601 26.435 1.00 45.44 C ATOM 2022 O LYS B 74 20.767 -1.425 26.359 1.00 48.08 O ATOM 2023 CB LYS B 74 18.393 -3.189 27.991 1.00 56.10 C ATOM 2024 CG LYS B 74 19.297 -4.105 28.809 1.00 66.17 C ATOM 2025 CD LYS B 74 18.514 -5.290 29.420 1.00 77.18 C ATOM 2026 CE LYS B 74 17.642 -4.883 30.627 1.00 84.49 C ATOM 2027 NZ LYS B 74 16.872 -6.007 31.256 1.00 81.35 N ATOM 2028 HA LYS B 74 19.531 -1.395 28.555 1.00 0.00 H ATOM 2029 HB2 LYS B 74 17.422 -3.168 28.485 1.00 0.00 H ATOM 2030 HB3 LYS B 74 18.287 -3.637 27.003 1.00 0.00 H ATOM 2031 HG2 LYS B 74 20.081 -4.497 28.161 1.00 0.00 H ATOM 2032 HG3 LYS B 74 19.748 -3.527 29.615 1.00 0.00 H ATOM 2033 HD2 LYS B 74 17.867 -5.712 28.651 1.00 0.00 H ATOM 2034 HD3 LYS B 74 19.228 -6.046 29.747 1.00 0.00 H ATOM 2035 HE2 LYS B 74 16.929 -4.130 30.292 1.00 0.00 H ATOM 2036 HE3 LYS B 74 18.294 -4.452 31.387 1.00 0.00 H ATOM 2037 HZ1 LYS B 74 16.232 -6.424 30.551 1.00 0.00 H ATOM 2038 HZ2 LYS B 74 17.535 -6.732 31.596 1.00 0.00 H ATOM 2039 HZ3 LYS B 74 16.317 -5.641 32.056 1.00 0.00 H ATOM 2040 H LYS B 74 16.743 -1.337 28.189 1.00 0.00 H ATOM 2041 N THR B 75 18.780 -1.720 25.354 1.00 45.42 N ATOM 2042 CA THR B 75 19.354 -1.671 23.999 1.00 41.41 C ATOM 2043 C THR B 75 20.007 -0.321 23.767 1.00 38.71 C ATOM 2044 O THR B 75 21.141 -0.205 23.307 1.00 39.34 O ATOM 2045 CB THR B 75 18.253 -1.935 22.948 1.00 44.68 C ATOM 2046 OG1 THR B 75 17.747 -3.265 23.131 1.00 39.65 O ATOM 2047 CG2 THR B 75 18.786 -1.764 21.510 1.00 44.83 C ATOM 2048 HA THR B 75 20.114 -2.446 23.901 1.00 0.00 H ATOM 2049 HB THR B 75 17.455 -1.205 23.088 1.00 0.00 H ATOM 2050 HG1 THR B 75 17.369 -3.351 24.042 1.00 0.00 H ATOM 2051 HG23 THR B 75 19.167 -0.751 21.383 1.00 0.00 H ATOM 2052 HG21 THR B 75 19.589 -2.480 21.334 1.00 0.00 H ATOM 2053 HG22 THR B 75 17.977 -1.941 20.801 1.00 0.00 H ATOM 2054 H THR B 75 17.755 -1.850 25.469 1.00 0.00 H ATOM 2055 N ALA B 76 19.293 0.721 24.124 1.00 38.84 N ATOM 2056 CA ALA B 76 19.797 2.040 23.886 1.00 38.03 C ATOM 2057 C ALA B 76 21.098 2.234 24.644 1.00 42.16 C ATOM 2058 O ALA B 76 22.049 2.833 24.171 1.00 36.10 O ATOM 2059 CB ALA B 76 18.771 3.044 24.337 1.00 38.57 C ATOM 2060 HA ALA B 76 19.992 2.179 22.823 1.00 0.00 H ATOM 2061 HB1 ALA B 76 17.848 2.895 23.776 1.00 0.00 H ATOM 2062 HB2 ALA B 76 18.577 2.910 25.401 1.00 0.00 H ATOM 2063 HB3 ALA B 76 19.147 4.051 24.159 1.00 0.00 H ATOM 2064 H ALA B 76 18.366 0.589 24.577 1.00 0.00 H ATOM 2065 N VAL B 77 21.110 1.738 25.863 1.00 45.32 N ATOM 2066 CA VAL B 77 22.304 1.850 26.678 1.00 49.46 C ATOM 2067 C VAL B 77 23.430 1.051 26.063 1.00 45.26 C ATOM 2068 O VAL B 77 24.542 1.538 25.986 1.00 48.84 O ATOM 2069 CB VAL B 77 21.995 1.416 28.132 1.00 49.43 C ATOM 2070 CG1 VAL B 77 23.248 0.925 28.858 1.00 49.53 C ATOM 2071 CG2 VAL B 77 21.325 2.588 28.839 1.00 44.60 C ATOM 2072 HA VAL B 77 22.630 2.889 26.713 1.00 0.00 H ATOM 2073 HB VAL B 77 21.316 0.563 28.132 1.00 0.00 H ATOM 2074 HG11 VAL B 77 23.663 0.069 28.326 1.00 0.00 H ATOM 2075 HG12 VAL B 77 23.986 1.727 28.890 1.00 0.00 H ATOM 2076 HG13 VAL B 77 22.986 0.631 29.874 1.00 0.00 H ATOM 2077 HG21 VAL B 77 21.998 3.445 28.836 1.00 0.00 H ATOM 2078 HG22 VAL B 77 20.403 2.846 28.318 1.00 0.00 H ATOM 2079 HG23 VAL B 77 21.096 2.308 29.867 1.00 0.00 H ATOM 2080 H VAL B 77 20.264 1.266 26.241 1.00 0.00 H ATOM 2081 N ASN B 78 23.139 -0.177 25.633 1.00 49.39 N ATOM 2082 CA ASN B 78 24.143 -1.012 24.952 1.00 46.95 C ATOM 2083 C ASN B 78 24.726 -0.334 23.749 1.00 51.38 C ATOM 2084 O ASN B 78 25.907 -0.439 23.470 1.00 49.20 O ATOM 2085 CB ASN B 78 23.522 -2.283 24.444 1.00 47.81 C ATOM 2086 CG ASN B 78 23.173 -3.233 25.542 1.00 52.38 C ATOM 2087 OD1 ASN B 78 23.547 -3.026 26.696 1.00 55.48 O ATOM 2088 ND2 ASN B 78 22.424 -4.290 25.196 1.00 58.31 N ATOM 2089 HA ASN B 78 24.917 -1.202 25.696 1.00 0.00 H ATOM 2090 HB2 ASN B 78 22.613 -2.033 23.897 1.00 0.00 H ATOM 2091 HB3 ASN B 78 24.227 -2.771 23.771 1.00 0.00 H ATOM 2092 HD22 ASN B 78 22.134 -4.420 24.206 1.00 0.00 H ATOM 2093 HD21 ASN B 78 22.133 -4.980 25.918 1.00 0.00 H ATOM 2094 H ASN B 78 22.181 -0.554 25.782 1.00 0.00 H ATOM 2095 N VAL B 79 23.845 0.343 23.035 1.00 52.16 N ATOM 2096 CA VAL B 79 24.171 1.080 21.831 1.00 59.85 C ATOM 2097 C VAL B 79 25.096 2.297 22.105 1.00 57.85 C ATOM 2098 O VAL B 79 26.011 2.596 21.348 1.00 57.76 O ATOM 2099 CB VAL B 79 22.831 1.478 21.143 1.00 59.25 C ATOM 2100 CG1 VAL B 79 22.982 2.709 20.300 1.00 65.25 C ATOM 2101 CG2 VAL B 79 22.285 0.317 20.327 1.00 54.07 C ATOM 2102 HA VAL B 79 24.753 0.450 21.158 1.00 0.00 H ATOM 2103 HB VAL B 79 22.113 1.715 21.928 1.00 0.00 H ATOM 2104 HG11 VAL B 79 23.305 3.540 20.927 1.00 0.00 H ATOM 2105 HG12 VAL B 79 23.725 2.527 19.524 1.00 0.00 H ATOM 2106 HG13 VAL B 79 22.025 2.952 19.839 1.00 0.00 H ATOM 2107 HG21 VAL B 79 23.009 0.041 19.560 1.00 0.00 H ATOM 2108 HG22 VAL B 79 22.107 -0.535 20.983 1.00 0.00 H ATOM 2109 HG23 VAL B 79 21.349 0.615 19.855 1.00 0.00 H ATOM 2110 H VAL B 79 22.856 0.347 23.357 1.00 0.00 H ATOM 2111 N ALA B 80 24.859 3.002 23.190 1.00 57.64 N ATOM 2112 CA ALA B 80 25.746 4.079 23.551 1.00 58.01 C ATOM 2113 C ALA B 80 27.134 3.505 23.948 1.00 61.30 C ATOM 2114 O ALA B 80 28.159 4.085 23.638 1.00 66.34 O ATOM 2115 CB ALA B 80 25.119 4.896 24.676 1.00 60.39 C ATOM 2116 HA ALA B 80 25.898 4.744 22.701 1.00 0.00 H ATOM 2117 HB1 ALA B 80 24.167 5.305 24.339 1.00 0.00 H ATOM 2118 HB2 ALA B 80 24.954 4.254 25.541 1.00 0.00 H ATOM 2119 HB3 ALA B 80 25.790 5.711 24.949 1.00 0.00 H ATOM 2120 H ALA B 80 24.035 2.783 23.785 1.00 0.00 H ATOM 2121 N VAL B 81 27.160 2.364 24.617 1.00 55.01 N ATOM 2122 CA VAL B 81 28.405 1.690 24.972 1.00 60.52 C ATOM 2123 C VAL B 81 29.186 1.246 23.739 1.00 68.84 C ATOM 2124 O VAL B 81 30.406 1.410 23.678 1.00 71.54 O ATOM 2125 CB VAL B 81 28.083 0.455 25.837 1.00 64.41 C ATOM 2126 CG1 VAL B 81 29.208 -0.573 25.853 1.00 58.31 C ATOM 2127 CG2 VAL B 81 27.678 0.902 27.240 1.00 61.62 C ATOM 2128 HA VAL B 81 29.023 2.399 25.523 1.00 0.00 H ATOM 2129 HB VAL B 81 27.239 -0.064 25.381 1.00 0.00 H ATOM 2130 HG11 VAL B 81 29.396 -0.920 24.837 1.00 0.00 H ATOM 2131 HG12 VAL B 81 30.112 -0.114 26.254 1.00 0.00 H ATOM 2132 HG13 VAL B 81 28.918 -1.417 26.479 1.00 0.00 H ATOM 2133 HG21 VAL B 81 28.498 1.458 27.694 1.00 0.00 H ATOM 2134 HG22 VAL B 81 26.796 1.540 27.176 1.00 0.00 H ATOM 2135 HG23 VAL B 81 27.451 0.026 27.848 1.00 0.00 H ATOM 2136 H VAL B 81 26.258 1.930 24.901 1.00 0.00 H ATOM 2137 N GLN B 82 28.486 0.686 22.758 1.00 74.75 N ATOM 2138 CA GLN B 82 29.095 0.349 21.467 1.00 78.82 C ATOM 2139 C GLN B 82 29.815 1.551 20.901 1.00 80.98 C ATOM 2140 O GLN B 82 30.725 1.392 20.106 1.00 95.20 O ATOM 2141 CB GLN B 82 28.061 -0.045 20.419 1.00 85.43 C ATOM 2142 CG GLN B 82 27.052 -1.084 20.857 1.00 97.60 C ATOM 2143 CD GLN B 82 27.285 -2.427 20.238 1.00103.08 C ATOM 2144 OE1 GLN B 82 26.821 -2.699 19.121 1.00106.57 O ATOM 2145 NE2 GLN B 82 27.984 -3.292 20.967 1.00111.28 N ATOM 2146 HA GLN B 82 29.767 -0.486 21.665 1.00 0.00 H ATOM 2147 HB2 GLN B 82 27.515 0.853 20.131 1.00 0.00 H ATOM 2148 HB3 GLN B 82 28.593 -0.438 19.553 1.00 0.00 H ATOM 2149 HG2 GLN B 82 27.108 -1.187 21.941 1.00 0.00 H ATOM 2150 HG3 GLN B 82 26.056 -0.741 20.577 1.00 0.00 H ATOM 2151 HE22 GLN B 82 28.350 -3.010 21.899 1.00 0.00 H ATOM 2152 HE21 GLN B 82 28.164 -4.250 20.605 1.00 0.00 H ATOM 2153 H GLN B 82 27.478 0.481 22.910 1.00 0.00 H ATOM 2154 N LYS B 83 29.352 2.751 21.252 1.00 78.92 N ATOM 2155 CA LYS B 83 29.967 3.992 20.801 1.00 70.04 C ATOM 2156 C LYS B 83 30.983 4.542 21.789 1.00 69.58 C ATOM 2157 O LYS B 83 31.500 5.619 21.575 1.00 63.65 O ATOM 2158 CB LYS B 83 28.882 5.039 20.546 1.00 71.78 C ATOM 2159 CG LYS B 83 27.960 4.658 19.399 1.00 76.96 C ATOM 2160 CD LYS B 83 27.052 5.816 19.003 1.00 84.76 C ATOM 2161 CE LYS B 83 26.796 5.897 17.499 1.00 85.88 C ATOM 2162 NZ LYS B 83 26.084 7.164 17.132 1.00 86.73 N ATOM 2163 HA LYS B 83 30.505 3.766 19.880 1.00 0.00 H ATOM 2164 HB2 LYS B 83 28.285 5.152 21.451 1.00 0.00 H ATOM 2165 HB3 LYS B 83 29.362 5.988 20.308 1.00 0.00 H ATOM 2166 HG2 LYS B 83 28.565 4.372 18.539 1.00 0.00 H ATOM 2167 HG3 LYS B 83 27.343 3.813 19.706 1.00 0.00 H ATOM 2168 HD2 LYS B 83 26.095 5.695 19.511 1.00 0.00 H ATOM 2169 HD3 LYS B 83 27.518 6.747 19.325 1.00 0.00 H ATOM 2170 HE2 LYS B 83 26.185 5.046 17.197 1.00 0.00 H ATOM 2171 HE3 LYS B 83 27.751 5.862 16.974 1.00 0.00 H ATOM 2172 HZ1 LYS B 83 25.169 7.201 17.625 1.00 0.00 H ATOM 2173 HZ2 LYS B 83 26.664 7.980 17.413 1.00 0.00 H ATOM 2174 HZ3 LYS B 83 25.926 7.186 16.104 1.00 0.00 H ATOM 2175 H LYS B 83 28.519 2.803 21.872 1.00 0.00 H ATOM 2176 N GLY B 84 31.278 3.798 22.854 1.00 73.90 N ATOM 2177 CA GLY B 84 32.062 4.311 23.980 1.00 73.71 C ATOM 2178 C GLY B 84 31.505 5.616 24.515 1.00 75.80 C ATOM 2179 O GLY B 84 32.158 6.652 24.429 1.00 87.68 O ATOM 2180 HA3 GLY B 84 33.087 4.476 23.649 1.00 0.00 H ATOM 2181 HA2 GLY B 84 32.054 3.571 24.780 1.00 0.00 H ATOM 2182 H GLY B 84 30.939 2.815 22.887 1.00 0.00 H ATOM 2183 N TRP B 85 30.285 5.567 25.036 1.00 72.24 N ATOM 2184 CA TRP B 85 29.624 6.731 25.626 1.00 71.29 C ATOM 2185 C TRP B 85 29.429 6.469 27.116 1.00 68.11 C ATOM 2186 O TRP B 85 29.220 5.326 27.547 1.00 72.38 O ATOM 2187 CB TRP B 85 28.246 7.004 24.974 1.00 71.50 C ATOM 2188 CG TRP B 85 28.252 7.694 23.620 1.00 69.95 C ATOM 2189 CD1 TRP B 85 29.337 8.173 22.946 1.00 69.06 C ATOM 2190 CD2 TRP B 85 27.101 8.008 22.800 1.00 68.73 C ATOM 2191 NE1 TRP B 85 28.943 8.758 21.761 1.00 65.70 N ATOM 2192 CE2 TRP B 85 27.577 8.681 21.649 1.00 67.04 C ATOM 2193 CE3 TRP B 85 25.712 7.783 22.925 1.00 65.47 C ATOM 2194 CZ2 TRP B 85 26.711 9.132 20.614 1.00 62.86 C ATOM 2195 CZ3 TRP B 85 24.853 8.243 21.900 1.00 60.88 C ATOM 2196 CH2 TRP B 85 25.362 8.903 20.762 1.00 58.26 C ATOM 2197 HA TRP B 85 30.250 7.607 25.457 1.00 0.00 H ATOM 2198 HB2 TRP B 85 27.742 6.045 24.853 1.00 0.00 H ATOM 2199 HB3 TRP B 85 27.674 7.629 25.660 1.00 0.00 H ATOM 2200 HE1 TRP B 85 29.581 9.190 21.062 1.00 0.00 H ATOM 2201 HD1 TRP B 85 30.368 8.103 23.294 1.00 0.00 H ATOM 2202 HZ2 TRP B 85 27.103 9.642 19.734 1.00 0.00 H ATOM 2203 HH2 TRP B 85 24.674 9.238 19.985 1.00 0.00 H ATOM 2204 HZ3 TRP B 85 23.778 8.085 21.991 1.00 0.00 H ATOM 2205 HE3 TRP B 85 25.310 7.264 23.795 1.00 0.00 H ATOM 2206 H TRP B 85 29.776 4.660 25.024 1.00 0.00 H ATOM 2207 N ASP B 86 29.480 7.538 27.897 1.00 66.89 N ATOM 2208 CA ASP B 86 29.355 7.440 29.339 1.00 66.84 C ATOM 2209 C ASP B 86 27.877 7.384 29.746 1.00 60.31 C ATOM 2210 O ASP B 86 27.160 8.392 29.774 1.00 60.05 O ATOM 2211 CB ASP B 86 30.080 8.620 29.992 1.00 73.51 C ATOM 2212 CG ASP B 86 30.130 8.514 31.494 1.00 80.23 C ATOM 2213 OD1 ASP B 86 29.707 7.472 32.052 1.00 85.87 O ATOM 2214 OD2 ASP B 86 30.589 9.489 32.118 1.00 89.00 O ATOM 2215 HA ASP B 86 29.820 6.517 29.687 1.00 0.00 H ATOM 2216 HB2 ASP B 86 31.100 8.657 29.611 1.00 0.00 H ATOM 2217 HB3 ASP B 86 29.560 9.540 29.724 1.00 0.00 H ATOM 2218 H ASP B 86 29.613 8.474 27.464 1.00 0.00 H ATOM 2219 N THR B 87 27.417 6.193 30.073 1.00 57.35 N ATOM 2220 CA THR B 87 25.996 6.007 30.289 1.00 65.31 C ATOM 2221 C THR B 87 25.600 6.343 31.710 1.00 71.80 C ATOM 2222 O THR B 87 24.407 6.341 32.071 1.00 63.57 O ATOM 2223 CB THR B 87 25.610 4.568 29.991 1.00 72.39 C ATOM 2224 OG1 THR B 87 26.125 3.730 31.029 1.00 73.51 O ATOM 2225 CG2 THR B 87 26.164 4.126 28.604 1.00 70.09 C ATOM 2226 HA THR B 87 25.469 6.683 29.616 1.00 0.00 H ATOM 2227 HB THR B 87 24.524 4.481 29.956 1.00 0.00 H ATOM 2228 HG1 THR B 87 25.879 2.789 30.844 1.00 0.00 H ATOM 2229 HG23 THR B 87 25.760 4.777 27.829 1.00 0.00 H ATOM 2230 HG21 THR B 87 27.252 4.197 28.609 1.00 0.00 H ATOM 2231 HG22 THR B 87 25.867 3.096 28.407 1.00 0.00 H ATOM 2232 H THR B 87 28.071 5.391 30.176 1.00 0.00 H ATOM 2233 N GLY B 88 26.628 6.611 32.513 1.00 80.75 N ATOM 2234 CA GLY B 88 26.475 7.084 33.869 1.00 76.61 C ATOM 2235 C GLY B 88 25.812 8.440 33.907 1.00 78.01 C ATOM 2236 O GLY B 88 25.294 8.843 34.948 1.00 88.90 O ATOM 2237 HA3 GLY B 88 27.459 7.157 34.333 1.00 0.00 H ATOM 2238 HA2 GLY B 88 25.864 6.374 34.426 1.00 0.00 H ATOM 2239 H GLY B 88 27.591 6.473 32.145 1.00 0.00 H ATOM 2240 N ARG B 89 25.797 9.146 32.784 1.00 73.52 N ATOM 2241 CA ARG B 89 25.067 10.413 32.710 1.00 72.22 C ATOM 2242 C ARG B 89 23.597 10.284 32.215 1.00 60.80 C ATOM 2243 O ARG B 89 22.943 11.291 31.963 1.00 45.06 O ATOM 2244 CB ARG B 89 25.851 11.386 31.838 1.00 75.60 C ATOM 2245 CG ARG B 89 27.267 11.592 32.349 1.00 84.07 C ATOM 2246 CD ARG B 89 28.058 12.571 31.499 1.00 87.81 C ATOM 2247 NE ARG B 89 27.486 13.920 31.502 1.00 90.64 N ATOM 2248 CZ ARG B 89 28.075 14.990 30.967 1.00 84.96 C ATOM 2249 NH1 ARG B 89 29.264 14.882 30.388 1.00 82.37 N ATOM 2250 NH2 ARG B 89 27.474 16.177 31.013 1.00 78.27 N ATOM 2251 HA ARG B 89 24.984 10.789 33.730 1.00 0.00 H ATOM 2252 HB2 ARG B 89 25.896 10.992 30.823 1.00 0.00 H ATOM 2253 HB3 ARG B 89 25.336 12.346 31.831 1.00 0.00 H ATOM 2254 HG2 ARG B 89 27.218 11.974 33.369 1.00 0.00 H ATOM 2255 HG3 ARG B 89 27.782 10.632 32.347 1.00 0.00 H ATOM 2256 HD2 ARG B 89 28.078 12.204 30.473 1.00 0.00 H ATOM 2257 HD3 ARG B 89 29.076 12.624 31.885 1.00 0.00 H ATOM 2258 HE ARG B 89 26.558 14.052 31.952 1.00 0.00 H ATOM 2259 HH12 ARG B 89 29.718 15.720 29.973 1.00 0.00 H ATOM 2260 HH11 ARG B 89 29.742 13.959 30.350 1.00 0.00 H ATOM 2261 HH22 ARG B 89 27.935 17.010 30.595 1.00 0.00 H ATOM 2262 HH21 ARG B 89 26.543 16.271 31.467 1.00 0.00 H ATOM 2263 H ARG B 89 26.308 8.796 31.949 1.00 0.00 H ATOM 2264 N TYR B 90 23.068 9.062 32.138 1.00 60.66 N ATOM 2265 CA TYR B 90 21.739 8.829 31.525 1.00 61.81 C ATOM 2266 C TYR B 90 20.582 8.754 32.527 1.00 62.47 C ATOM 2267 O TYR B 90 19.650 7.962 32.369 1.00 51.87 O ATOM 2268 CB TYR B 90 21.764 7.556 30.639 1.00 59.40 C ATOM 2269 CG TYR B 90 22.677 7.623 29.411 1.00 52.76 C ATOM 2270 CD1 TYR B 90 23.254 8.835 28.982 1.00 49.74 C ATOM 2271 CD2 TYR B 90 22.933 6.482 28.674 1.00 47.73 C ATOM 2272 CE1 TYR B 90 24.068 8.893 27.865 1.00 51.56 C ATOM 2273 CE2 TYR B 90 23.756 6.530 27.560 1.00 53.18 C ATOM 2274 CZ TYR B 90 24.311 7.736 27.161 1.00 50.93 C ATOM 2275 OH TYR B 90 25.103 7.775 26.062 1.00 51.86 O ATOM 2276 HA TYR B 90 21.544 9.709 30.912 1.00 0.00 H ATOM 2277 HB3 TYR B 90 20.748 7.368 30.292 1.00 0.00 H ATOM 2278 HB2 TYR B 90 22.095 6.722 31.258 1.00 0.00 H ATOM 2279 HD2 TYR B 90 22.483 5.535 28.972 1.00 0.00 H ATOM 2280 HE2 TYR B 90 23.967 5.620 26.998 1.00 0.00 H ATOM 2281 HE1 TYR B 90 24.509 9.838 27.548 1.00 0.00 H ATOM 2282 HD1 TYR B 90 23.054 9.748 29.543 1.00 0.00 H ATOM 2283 HH TYR B 90 25.416 8.703 25.915 1.00 0.00 H ATOM 2284 H TYR B 90 23.601 8.253 32.517 1.00 0.00 H ATOM 2285 N GLN B 91 20.625 9.644 33.512 1.00 70.45 N ATOM 2286 CA GLN B 91 19.662 9.670 34.609 1.00 66.53 C ATOM 2287 C GLN B 91 18.279 10.048 34.095 1.00 55.80 C ATOM 2288 O GLN B 91 17.282 9.435 34.462 1.00 51.04 O ATOM 2289 CB GLN B 91 20.127 10.672 35.687 1.00 70.80 C ATOM 2290 CG GLN B 91 21.490 10.314 36.331 1.00 79.10 C ATOM 2291 CD GLN B 91 22.724 11.113 35.839 1.00 76.68 C ATOM 2292 OE1 GLN B 91 22.664 11.906 34.898 1.00 85.14 O ATOM 2293 NE2 GLN B 91 23.853 10.902 36.510 1.00 81.49 N ATOM 2294 HA GLN B 91 19.602 8.675 35.051 1.00 0.00 H ATOM 2295 HB2 GLN B 91 20.213 11.656 35.227 1.00 0.00 H ATOM 2296 HB3 GLN B 91 19.373 10.704 36.474 1.00 0.00 H ATOM 2297 HG2 GLN B 91 21.400 10.473 37.406 1.00 0.00 H ATOM 2298 HG3 GLN B 91 21.681 9.259 36.136 1.00 0.00 H ATOM 2299 HE22 GLN B 91 23.870 10.226 37.300 1.00 0.00 H ATOM 2300 HE21 GLN B 91 24.719 11.413 36.245 1.00 0.00 H ATOM 2301 H GLN B 91 21.382 10.357 33.501 1.00 0.00 H ATOM 2302 N SER B 92 18.238 11.078 33.261 1.00 50.97 N ATOM 2303 CA SER B 92 17.004 11.596 32.691 1.00 51.69 C ATOM 2304 C SER B 92 16.436 10.755 31.525 1.00 49.62 C ATOM 2305 O SER B 92 15.325 11.015 31.069 1.00 46.61 O ATOM 2306 CB SER B 92 17.275 13.009 32.193 1.00 60.14 C ATOM 2307 OG SER B 92 18.540 13.100 31.531 1.00 68.07 O ATOM 2308 HA SER B 92 16.251 11.564 33.479 1.00 0.00 H ATOM 2309 HB2 SER B 92 17.270 13.691 33.043 1.00 0.00 H ATOM 2310 HB3 SER B 92 16.488 13.295 31.495 1.00 0.00 H ATOM 2311 HG SER B 92 18.683 14.029 31.221 1.00 0.00 H ATOM 2312 H SER B 92 19.133 11.539 33.001 1.00 0.00 H ATOM 2313 N LEU B 93 17.168 9.730 31.078 1.00 44.10 N ATOM 2314 CA LEU B 93 16.858 9.100 29.799 1.00 45.63 C ATOM 2315 C LEU B 93 15.469 8.469 29.822 1.00 42.53 C ATOM 2316 O LEU B 93 14.634 8.816 28.993 1.00 43.75 O ATOM 2317 CB LEU B 93 17.971 8.116 29.376 1.00 47.10 C ATOM 2318 CG LEU B 93 17.735 7.161 28.185 1.00 49.74 C ATOM 2319 CD1 LEU B 93 17.472 7.930 26.894 1.00 54.77 C ATOM 2320 CD2 LEU B 93 18.901 6.207 27.987 1.00 47.85 C ATOM 2321 HA LEU B 93 16.830 9.871 29.029 1.00 0.00 H ATOM 2322 HB2 LEU B 93 18.848 8.716 29.132 1.00 0.00 H ATOM 2323 HB3 LEU B 93 18.189 7.493 30.243 1.00 0.00 H ATOM 2324 HG LEU B 93 16.849 6.575 28.429 1.00 0.00 H ATOM 2325 HD21 LEU B 93 19.808 6.779 27.793 1.00 0.00 H ATOM 2326 HD22 LEU B 93 19.034 5.606 28.887 1.00 0.00 H ATOM 2327 HD23 LEU B 93 18.694 5.553 27.140 1.00 0.00 H ATOM 2328 HD11 LEU B 93 16.586 8.553 27.018 1.00 0.00 H ATOM 2329 HD12 LEU B 93 18.332 8.560 26.666 1.00 0.00 H ATOM 2330 HD13 LEU B 93 17.311 7.225 26.079 1.00 0.00 H ATOM 2331 H LEU B 93 17.965 9.379 31.646 1.00 0.00 H ATOM 2332 N PRO B 94 15.190 7.592 30.816 1.00 47.04 N ATOM 2333 CA PRO B 94 13.868 6.955 30.946 1.00 39.92 C ATOM 2334 C PRO B 94 12.704 7.921 30.914 1.00 42.81 C ATOM 2335 O PRO B 94 11.727 7.667 30.221 1.00 39.90 O ATOM 2336 CB PRO B 94 13.951 6.295 32.315 1.00 43.88 C ATOM 2337 CG PRO B 94 15.412 6.011 32.486 1.00 42.52 C ATOM 2338 CD PRO B 94 16.052 7.255 31.972 1.00 42.67 C ATOM 2339 HA PRO B 94 13.675 6.281 30.111 1.00 0.00 H ATOM 2340 HD3 PRO B 94 16.037 8.047 32.721 1.00 0.00 H ATOM 2341 HD2 PRO B 94 17.080 7.071 31.659 1.00 0.00 H ATOM 2342 HG3 PRO B 94 15.715 5.143 31.901 1.00 0.00 H ATOM 2343 HG2 PRO B 94 15.660 5.846 33.534 1.00 0.00 H ATOM 2344 HB2 PRO B 94 13.592 6.968 33.094 1.00 0.00 H ATOM 2345 HB3 PRO B 94 13.370 5.373 32.338 1.00 0.00 H ATOM 2346 N GLN B 95 12.822 9.045 31.624 1.00 38.64 N ATOM 2347 CA GLN B 95 11.753 10.011 31.691 1.00 41.90 C ATOM 2348 C GLN B 95 11.590 10.813 30.389 1.00 39.23 C ATOM 2349 O GLN B 95 10.488 11.187 30.012 1.00 40.83 O ATOM 2350 CB GLN B 95 12.029 11.006 32.837 1.00 44.29 C ATOM 2351 CG GLN B 95 10.880 11.981 33.094 1.00 52.62 C ATOM 2352 CD GLN B 95 9.583 11.290 33.574 1.00 62.70 C ATOM 2353 OE1 GLN B 95 9.470 10.900 34.753 1.00 76.95 O ATOM 2354 NE2 GLN B 95 8.605 11.117 32.653 1.00 60.02 N ATOM 2355 HA GLN B 95 10.834 9.450 31.861 1.00 0.00 H ATOM 2356 HB2 GLN B 95 12.210 10.438 33.750 1.00 0.00 H ATOM 2357 HB3 GLN B 95 12.920 11.582 32.586 1.00 0.00 H ATOM 2358 HG2 GLN B 95 11.195 12.693 33.857 1.00 0.00 H ATOM 2359 HG3 GLN B 95 10.665 12.514 32.168 1.00 0.00 H ATOM 2360 HE22 GLN B 95 8.741 11.458 31.680 1.00 0.00 H ATOM 2361 HE21 GLN B 95 7.718 10.643 32.919 1.00 0.00 H ATOM 2362 H GLN B 95 13.705 9.229 32.141 1.00 0.00 H ATOM 2363 N LEU B 96 12.700 11.168 29.775 1.00 41.93 N ATOM 2364 CA LEU B 96 12.636 11.919 28.515 1.00 45.56 C ATOM 2365 C LEU B 96 12.007 11.023 27.450 1.00 43.36 C ATOM 2366 O LEU B 96 11.069 11.423 26.802 1.00 42.59 O ATOM 2367 CB LEU B 96 14.018 12.414 28.086 1.00 45.23 C ATOM 2368 CG LEU B 96 14.056 13.235 26.785 1.00 45.27 C ATOM 2369 CD1 LEU B 96 13.274 14.521 26.944 1.00 43.90 C ATOM 2370 CD2 LEU B 96 15.479 13.495 26.355 1.00 43.77 C ATOM 2371 HA LEU B 96 12.021 12.808 28.652 1.00 0.00 H ATOM 2372 HB2 LEU B 96 14.415 13.037 28.888 1.00 0.00 H ATOM 2373 HB3 LEU B 96 14.660 11.543 27.952 1.00 0.00 H ATOM 2374 HG LEU B 96 13.579 12.655 25.995 1.00 0.00 H ATOM 2375 HD21 LEU B 96 15.998 14.051 27.136 1.00 0.00 H ATOM 2376 HD22 LEU B 96 15.985 12.545 26.186 1.00 0.00 H ATOM 2377 HD23 LEU B 96 15.478 14.077 25.433 1.00 0.00 H ATOM 2378 HD11 LEU B 96 12.237 14.287 27.184 1.00 0.00 H ATOM 2379 HD12 LEU B 96 13.710 15.113 27.749 1.00 0.00 H ATOM 2380 HD13 LEU B 96 13.314 15.086 26.013 1.00 0.00 H ATOM 2381 H LEU B 96 13.623 10.916 30.183 1.00 0.00 H ATOM 2382 N SER B 97 12.504 9.800 27.323 1.00 41.52 N ATOM 2383 CA SER B 97 11.834 8.791 26.487 1.00 39.70 C ATOM 2384 C SER B 97 10.313 8.729 26.637 1.00 41.69 C ATOM 2385 O SER B 97 9.568 8.761 25.628 1.00 35.73 O ATOM 2386 CB SER B 97 12.388 7.437 26.815 1.00 39.44 C ATOM 2387 OG SER B 97 13.768 7.472 26.598 1.00 47.96 O ATOM 2388 HA SER B 97 12.031 9.091 25.458 1.00 0.00 H ATOM 2389 HB2 SER B 97 11.931 6.684 26.173 1.00 0.00 H ATOM 2390 HB3 SER B 97 12.183 7.196 27.858 1.00 0.00 H ATOM 2391 HG SER B 97 14.175 8.160 27.182 1.00 0.00 H ATOM 2392 H SER B 97 13.381 9.550 27.822 1.00 0.00 H ATOM 2393 N GLU B 98 9.839 8.608 27.882 1.00 40.90 N ATOM 2394 CA GLU B 98 8.412 8.547 28.109 1.00 41.62 C ATOM 2395 C GLU B 98 7.770 9.883 27.767 1.00 39.59 C ATOM 2396 O GLU B 98 6.636 9.896 27.270 1.00 42.02 O ATOM 2397 CB GLU B 98 8.022 8.061 29.530 1.00 43.57 C ATOM 2398 CG GLU B 98 6.491 7.885 29.741 1.00 46.24 C ATOM 2399 CD GLU B 98 5.819 6.603 29.127 1.00 50.71 C ATOM 2400 OE1 GLU B 98 6.530 5.621 28.789 1.00 52.08 O ATOM 2401 OE2 GLU B 98 4.537 6.546 28.998 1.00 48.06 O ATOM 2402 HA GLU B 98 8.018 7.784 27.438 1.00 0.00 H ATOM 2403 HB2 GLU B 98 8.505 7.101 29.709 1.00 0.00 H ATOM 2404 HB3 GLU B 98 8.386 8.790 30.254 1.00 0.00 H ATOM 2405 HG2 GLU B 98 6.309 7.867 30.815 1.00 0.00 H ATOM 2406 HG3 GLU B 98 5.998 8.754 29.304 1.00 0.00 H ATOM 2407 H GLU B 98 10.496 8.558 28.686 1.00 0.00 H ATOM 2408 N ASN B 99 8.458 10.998 28.011 1.00 39.44 N ATOM 2409 CA ASN B 99 7.914 12.325 27.608 1.00 40.62 C ATOM 2410 C ASN B 99 7.820 12.511 26.069 1.00 40.04 C ATOM 2411 O ASN B 99 6.877 13.101 25.568 1.00 37.70 O ATOM 2412 CB ASN B 99 8.753 13.477 28.166 1.00 44.07 C ATOM 2413 CG ASN B 99 8.473 13.764 29.643 1.00 51.71 C ATOM 2414 OD1 ASN B 99 7.695 13.087 30.327 1.00 56.01 O ATOM 2415 ND2 ASN B 99 9.109 14.783 30.137 1.00 55.85 N ATOM 2416 HA ASN B 99 6.908 12.347 28.028 1.00 0.00 H ATOM 2417 HB2 ASN B 99 9.807 13.224 28.055 1.00 0.00 H ATOM 2418 HB3 ASN B 99 8.534 14.376 27.590 1.00 0.00 H ATOM 2419 HD22 ASN B 99 9.756 15.333 29.537 1.00 0.00 H ATOM 2420 HD21 ASN B 99 8.971 15.049 31.133 1.00 0.00 H ATOM 2421 H ASN B 99 9.381 10.941 28.486 1.00 0.00 H ATOM 2422 N LEU B 100 8.837 12.056 25.345 1.00 38.96 N ATOM 2423 CA LEU B 100 8.782 12.075 23.867 1.00 37.38 C ATOM 2424 C LEU B 100 7.678 11.139 23.354 1.00 35.30 C ATOM 2425 O LEU B 100 6.929 11.526 22.463 1.00 41.75 O ATOM 2426 CB LEU B 100 10.133 11.713 23.291 1.00 36.51 C ATOM 2427 CG LEU B 100 11.215 12.760 23.568 1.00 36.72 C ATOM 2428 CD1 LEU B 100 12.625 12.298 23.189 1.00 34.74 C ATOM 2429 CD2 LEU B 100 10.886 14.024 22.819 1.00 39.47 C ATOM 2430 HA LEU B 100 8.535 13.083 23.534 1.00 0.00 H ATOM 2431 HB2 LEU B 100 10.451 10.765 23.725 1.00 0.00 H ATOM 2432 HB3 LEU B 100 10.029 11.601 22.212 1.00 0.00 H ATOM 2433 HG LEU B 100 11.220 12.930 24.645 1.00 0.00 H ATOM 2434 HD21 LEU B 100 10.847 13.812 21.751 1.00 0.00 H ATOM 2435 HD22 LEU B 100 9.919 14.401 23.152 1.00 0.00 H ATOM 2436 HD23 LEU B 100 11.655 14.771 23.015 1.00 0.00 H ATOM 2437 HD11 LEU B 100 12.880 11.406 23.761 1.00 0.00 H ATOM 2438 HD12 LEU B 100 12.657 12.069 22.124 1.00 0.00 H ATOM 2439 HD13 LEU B 100 13.338 13.091 23.413 1.00 0.00 H ATOM 2440 H LEU B 100 9.682 11.682 25.823 1.00 0.00 H ATOM 2441 N TYR B 101 7.525 9.942 23.929 1.00 31.81 N ATOM 2442 CA TYR B 101 6.409 9.066 23.528 1.00 33.05 C ATOM 2443 C TYR B 101 5.031 9.731 23.640 1.00 41.94 C ATOM 2444 O TYR B 101 4.183 9.643 22.702 1.00 36.83 O ATOM 2445 CB TYR B 101 6.440 7.750 24.267 1.00 32.57 C ATOM 2446 CG TYR B 101 5.271 6.898 24.014 1.00 32.88 C ATOM 2447 CD1 TYR B 101 5.095 6.274 22.781 1.00 35.67 C ATOM 2448 CD2 TYR B 101 4.314 6.696 24.991 1.00 33.26 C ATOM 2449 CE1 TYR B 101 3.974 5.508 22.527 1.00 33.14 C ATOM 2450 CE2 TYR B 101 3.204 5.912 24.749 1.00 35.00 C ATOM 2451 CZ TYR B 101 3.049 5.327 23.506 1.00 36.88 C ATOM 2452 OH TYR B 101 1.929 4.604 23.275 1.00 37.12 O ATOM 2453 HA TYR B 101 6.562 8.868 22.467 1.00 0.00 H ATOM 2454 HB3 TYR B 101 6.489 7.957 25.336 1.00 0.00 H ATOM 2455 HB2 TYR B 101 7.334 7.206 23.962 1.00 0.00 H ATOM 2456 HD2 TYR B 101 4.438 7.163 25.968 1.00 0.00 H ATOM 2457 HE2 TYR B 101 2.458 5.756 25.529 1.00 0.00 H ATOM 2458 HE1 TYR B 101 3.832 5.052 21.547 1.00 0.00 H ATOM 2459 HD1 TYR B 101 5.852 6.392 22.006 1.00 0.00 H ATOM 2460 HH TYR B 101 1.884 3.853 23.919 1.00 0.00 H ATOM 2461 H TYR B 101 8.194 9.628 24.660 1.00 0.00 H ATOM 2462 N GLN B 102 4.786 10.415 24.761 1.00 39.87 N ATOM 2463 CA GLN B 102 3.488 11.085 24.937 1.00 38.76 C ATOM 2464 C GLN B 102 3.374 12.249 23.974 1.00 36.74 C ATOM 2465 O GLN B 102 2.271 12.565 23.522 1.00 38.84 O ATOM 2466 CB GLN B 102 3.322 11.624 26.377 1.00 42.20 C ATOM 2467 CG GLN B 102 3.328 10.558 27.447 1.00 39.72 C ATOM 2468 CD GLN B 102 2.147 9.615 27.343 1.00 38.42 C ATOM 2469 OE1 GLN B 102 1.027 10.043 27.064 1.00 45.11 O ATOM 2470 NE2 GLN B 102 2.387 8.313 27.579 1.00 42.49 N ATOM 2471 HA GLN B 102 2.709 10.348 24.741 1.00 0.00 H ATOM 2472 HB2 GLN B 102 4.140 12.315 26.579 1.00 0.00 H ATOM 2473 HB3 GLN B 102 2.374 12.159 26.434 1.00 0.00 H ATOM 2474 HG2 GLN B 102 4.246 9.978 27.356 1.00 0.00 H ATOM 2475 HG3 GLN B 102 3.302 11.043 28.423 1.00 0.00 H ATOM 2476 HE22 GLN B 102 3.350 7.995 27.811 1.00 0.00 H ATOM 2477 HE21 GLN B 102 1.610 7.624 27.529 1.00 0.00 H ATOM 2478 H GLN B 102 5.509 10.474 25.506 1.00 0.00 H ATOM 2479 N GLY B 103 4.491 12.907 23.666 1.00 34.65 N ATOM 2480 CA GLY B 103 4.462 13.994 22.655 1.00 40.04 C ATOM 2481 C GLY B 103 4.021 13.477 21.285 1.00 40.98 C ATOM 2482 O GLY B 103 3.256 14.125 20.552 1.00 43.30 O ATOM 2483 HA3 GLY B 103 5.460 14.422 22.567 1.00 0.00 H ATOM 2484 HA2 GLY B 103 3.765 14.765 22.984 1.00 0.00 H ATOM 2485 H GLY B 103 5.385 12.659 24.135 1.00 0.00 H ATOM 2486 N LEU B 104 4.527 12.304 20.945 1.00 40.25 N ATOM 2487 CA LEU B 104 4.197 11.657 19.686 1.00 40.14 C ATOM 2488 C LEU B 104 2.723 11.343 19.591 1.00 46.16 C ATOM 2489 O LEU B 104 2.139 11.438 18.505 1.00 40.64 O ATOM 2490 CB LEU B 104 5.027 10.386 19.463 1.00 36.89 C ATOM 2491 CG LEU B 104 6.498 10.603 19.156 1.00 37.90 C ATOM 2492 CD1 LEU B 104 7.195 9.257 19.204 1.00 38.48 C ATOM 2493 CD2 LEU B 104 6.760 11.324 17.826 1.00 39.40 C ATOM 2494 HA LEU B 104 4.447 12.366 18.897 1.00 0.00 H ATOM 2495 HB2 LEU B 104 4.959 9.779 20.366 1.00 0.00 H ATOM 2496 HB3 LEU B 104 4.587 9.841 18.627 1.00 0.00 H ATOM 2497 HG LEU B 104 6.903 11.274 19.913 1.00 0.00 H ATOM 2498 HD21 LEU B 104 6.344 10.737 17.008 1.00 0.00 H ATOM 2499 HD22 LEU B 104 6.287 12.306 17.847 1.00 0.00 H ATOM 2500 HD23 LEU B 104 7.834 11.439 17.682 1.00 0.00 H ATOM 2501 HD11 LEU B 104 7.079 8.824 20.198 1.00 0.00 H ATOM 2502 HD12 LEU B 104 6.751 8.593 18.463 1.00 0.00 H ATOM 2503 HD13 LEU B 104 8.255 9.390 18.986 1.00 0.00 H ATOM 2504 H LEU B 104 5.182 11.829 21.599 1.00 0.00 H ATOM 2505 N LEU B 105 2.111 10.983 20.709 1.00 42.87 N ATOM 2506 CA LEU B 105 0.690 10.606 20.697 1.00 44.62 C ATOM 2507 C LEU B 105 -0.227 11.787 20.527 1.00 49.14 C ATOM 2508 O LEU B 105 -1.387 11.628 20.148 1.00 53.65 O ATOM 2509 CB LEU B 105 0.284 9.916 22.012 1.00 48.91 C ATOM 2510 CG LEU B 105 1.052 8.689 22.464 1.00 46.10 C ATOM 2511 CD1 LEU B 105 0.417 8.156 23.743 1.00 48.90 C ATOM 2512 CD2 LEU B 105 1.024 7.638 21.363 1.00 49.29 C ATOM 2513 HA LEU B 105 0.584 9.933 19.846 1.00 0.00 H ATOM 2514 HB2 LEU B 105 0.373 10.659 22.804 1.00 0.00 H ATOM 2515 HB3 LEU B 105 -0.760 9.620 21.909 1.00 0.00 H ATOM 2516 HG LEU B 105 2.092 8.944 22.665 1.00 0.00 H ATOM 2517 HD21 LEU B 105 -0.009 7.363 21.151 1.00 0.00 H ATOM 2518 HD22 LEU B 105 1.485 8.044 20.463 1.00 0.00 H ATOM 2519 HD23 LEU B 105 1.576 6.757 21.689 1.00 0.00 H ATOM 2520 HD11 LEU B 105 0.459 8.924 24.515 1.00 0.00 H ATOM 2521 HD12 LEU B 105 -0.622 7.891 23.548 1.00 0.00 H ATOM 2522 HD13 LEU B 105 0.962 7.273 24.077 1.00 0.00 H ATOM 2523 H LEU B 105 2.641 10.967 21.604 1.00 0.00 H ATOM 2524 N LYS B 106 0.245 12.971 20.848 1.00 47.82 N ATOM 2525 CA LYS B 106 -0.572 14.123 20.638 1.00 53.33 C ATOM 2526 C LYS B 106 0.020 15.018 19.564 1.00 51.08 C ATOM 2527 O LYS B 106 -0.358 16.161 19.426 1.00 53.41 O ATOM 2528 CB LYS B 106 -0.801 14.845 21.965 1.00 67.40 C ATOM 2529 CG LYS B 106 0.451 15.315 22.676 1.00 76.67 C ATOM 2530 CD LYS B 106 0.144 15.839 24.087 1.00 89.84 C ATOM 2531 CE LYS B 106 -0.369 14.761 25.044 1.00 91.85 C ATOM 2532 NZ LYS B 106 -0.103 15.119 26.474 1.00 89.21 N ATOM 2533 HA LYS B 106 -1.550 13.816 20.267 1.00 0.00 H ATOM 2534 HB2 LYS B 106 -1.424 15.718 21.770 1.00 0.00 H ATOM 2535 HB3 LYS B 106 -1.330 14.164 22.631 1.00 0.00 H ATOM 2536 HG2 LYS B 106 1.148 14.480 22.753 1.00 0.00 H ATOM 2537 HG3 LYS B 106 0.908 16.115 22.094 1.00 0.00 H ATOM 2538 HD2 LYS B 106 1.058 16.263 24.503 1.00 0.00 H ATOM 2539 HD3 LYS B 106 -0.614 16.619 24.008 1.00 0.00 H ATOM 2540 HE2 LYS B 106 0.130 13.819 24.816 1.00 0.00 H ATOM 2541 HE3 LYS B 106 -1.443 14.645 24.902 1.00 0.00 H ATOM 2542 HZ1 LYS B 106 0.921 15.226 26.619 1.00 0.00 H ATOM 2543 HZ2 LYS B 106 -0.582 16.014 26.701 1.00 0.00 H ATOM 2544 HZ3 LYS B 106 -0.465 14.365 27.092 1.00 0.00 H ATOM 2545 H LYS B 106 1.200 13.067 21.249 1.00 0.00 H ATOM 2546 N ASP B 107 0.913 14.467 18.763 1.00 50.90 N ATOM 2547 CA ASP B 107 1.596 15.225 17.724 1.00 53.78 C ATOM 2548 C ASP B 107 0.703 15.592 16.521 1.00 56.73 C ATOM 2549 O ASP B 107 1.013 16.550 15.822 1.00 55.24 O ATOM 2550 CB ASP B 107 2.858 14.479 17.257 1.00 54.76 C ATOM 2551 CG ASP B 107 3.483 15.096 16.061 1.00 57.13 C ATOM 2552 OD1 ASP B 107 2.937 14.836 14.969 1.00 59.04 O ATOM 2553 OD2 ASP B 107 4.497 15.833 16.194 1.00 55.57 O ATOM 2554 HA ASP B 107 1.877 16.174 18.181 1.00 0.00 H ATOM 2555 HB2 ASP B 107 3.584 14.481 18.070 1.00 0.00 H ATOM 2556 HB3 ASP B 107 2.586 13.451 17.017 1.00 0.00 H ATOM 2557 H ASP B 107 1.136 13.458 18.878 1.00 0.00 H ATOM 2558 N GLY B 108 -0.382 14.863 16.260 1.00 57.14 N ATOM 2559 CA GLY B 108 -1.244 15.227 15.110 1.00 62.78 C ATOM 2560 C GLY B 108 -0.811 14.815 13.688 1.00 55.70 C ATOM 2561 O GLY B 108 -1.646 14.803 12.778 1.00 56.39 O ATOM 2562 HA3 GLY B 108 -1.338 16.313 15.113 1.00 0.00 H ATOM 2563 HA2 GLY B 108 -2.221 14.778 15.289 1.00 0.00 H ATOM 2564 H GLY B 108 -0.622 14.046 16.858 1.00 0.00 H ATOM 2565 N THR B 109 0.468 14.499 13.492 1.00 50.26 N ATOM 2566 CA THR B 109 0.881 13.665 12.347 1.00 47.87 C ATOM 2567 C THR B 109 0.194 12.339 12.425 1.00 44.49 C ATOM 2568 O THR B 109 0.283 11.683 13.471 1.00 42.97 O ATOM 2569 CB THR B 109 2.358 13.321 12.365 1.00 46.13 C ATOM 2570 OG1 THR B 109 3.108 14.499 12.163 1.00 45.94 O ATOM 2571 CG2 THR B 109 2.710 12.348 11.237 1.00 49.92 C ATOM 2572 HA THR B 109 0.633 14.245 11.458 1.00 0.00 H ATOM 2573 HB THR B 109 2.587 12.862 13.327 1.00 0.00 H ATOM 2574 HG1 THR B 109 2.907 15.145 12.886 1.00 0.00 H ATOM 2575 HG23 THR B 109 2.145 11.425 11.365 1.00 0.00 H ATOM 2576 HG21 THR B 109 2.458 12.799 10.278 1.00 0.00 H ATOM 2577 HG22 THR B 109 3.777 12.129 11.268 1.00 0.00 H ATOM 2578 H THR B 109 1.188 14.846 14.157 1.00 0.00 H ATOM 2579 N PRO B 110 -0.476 11.906 11.322 1.00 43.03 N ATOM 2580 CA PRO B 110 -1.229 10.673 11.555 1.00 36.73 C ATOM 2581 C PRO B 110 -0.372 9.478 11.828 1.00 35.43 C ATOM 2582 O PRO B 110 0.829 9.459 11.562 1.00 36.03 O ATOM 2583 CB PRO B 110 -2.058 10.459 10.268 1.00 39.79 C ATOM 2584 CG PRO B 110 -1.978 11.735 9.515 1.00 43.09 C ATOM 2585 CD PRO B 110 -1.002 12.679 10.182 1.00 42.55 C ATOM 2586 HA PRO B 110 -1.840 10.778 12.452 1.00 0.00 H ATOM 2587 HD3 PRO B 110 -0.200 12.954 9.497 1.00 0.00 H ATOM 2588 HD2 PRO B 110 -1.509 13.580 10.526 1.00 0.00 H ATOM 2589 HG3 PRO B 110 -2.964 12.198 9.486 1.00 0.00 H ATOM 2590 HG2 PRO B 110 -1.644 11.532 8.498 1.00 0.00 H ATOM 2591 HB2 PRO B 110 -1.639 9.644 9.678 1.00 0.00 H ATOM 2592 HB3 PRO B 110 -3.094 10.230 10.518 1.00 0.00 H ATOM 2593 N LYS B 111 -1.028 8.457 12.342 1.00 32.57 N ATOM 2594 CA LYS B 111 -0.354 7.305 12.787 1.00 35.38 C ATOM 2595 C LYS B 111 0.191 6.566 11.584 1.00 36.34 C ATOM 2596 O LYS B 111 1.247 5.990 11.669 1.00 36.55 O ATOM 2597 CB LYS B 111 -1.387 6.474 13.561 1.00 38.79 C ATOM 2598 CG LYS B 111 -1.075 5.021 13.706 1.00 47.19 C ATOM 2599 CD LYS B 111 -2.342 4.200 13.807 1.00 57.59 C ATOM 2600 CE LYS B 111 -3.276 4.650 14.925 1.00 62.31 C ATOM 2601 NZ LYS B 111 -2.583 4.508 16.212 1.00 68.43 N ATOM 2602 HA LYS B 111 0.492 7.530 13.436 1.00 0.00 H ATOM 2603 HB2 LYS B 111 -1.477 6.899 14.561 1.00 0.00 H ATOM 2604 HB3 LYS B 111 -2.342 6.561 13.044 1.00 0.00 H ATOM 2605 HG2 LYS B 111 -0.504 4.691 12.838 1.00 0.00 H ATOM 2606 HG3 LYS B 111 -0.481 4.872 14.608 1.00 0.00 H ATOM 2607 HD2 LYS B 111 -2.877 4.274 12.860 1.00 0.00 H ATOM 2608 HD3 LYS B 111 -2.066 3.161 13.986 1.00 0.00 H ATOM 2609 HE2 LYS B 111 -4.174 4.032 14.923 1.00 0.00 H ATOM 2610 HE3 LYS B 111 -3.554 5.693 14.772 1.00 0.00 H ATOM 2611 HZ1 LYS B 111 -2.319 3.512 16.354 1.00 0.00 H ATOM 2612 HZ2 LYS B 111 -1.727 5.098 16.210 1.00 0.00 H ATOM 2613 HZ3 LYS B 111 -3.214 4.813 16.980 1.00 0.00 H ATOM 2614 H LYS B 111 -2.064 8.504 12.420 1.00 0.00 H ATOM 2615 N ALA B 112 -0.573 6.521 10.483 1.00 37.51 N ATOM 2616 CA ALA B 112 -0.137 5.791 9.268 1.00 35.24 C ATOM 2617 C ALA B 112 1.187 6.334 8.886 1.00 31.73 C ATOM 2618 O ALA B 112 2.110 5.594 8.639 1.00 36.46 O ATOM 2619 CB ALA B 112 -1.158 5.964 8.113 1.00 36.22 C ATOM 2620 HA ALA B 112 -0.073 4.722 9.470 1.00 0.00 H ATOM 2621 HB1 ALA B 112 -2.127 5.574 8.425 1.00 0.00 H ATOM 2622 HB2 ALA B 112 -1.252 7.022 7.869 1.00 0.00 H ATOM 2623 HB3 ALA B 112 -0.810 5.417 7.237 1.00 0.00 H ATOM 2624 H ALA B 112 -1.492 7.009 10.481 1.00 0.00 H ATOM 2625 N THR B 113 1.312 7.657 8.934 1.00 33.68 N ATOM 2626 CA THR B 113 2.559 8.338 8.548 1.00 35.27 C ATOM 2627 C THR B 113 3.731 8.118 9.500 1.00 38.91 C ATOM 2628 O THR B 113 4.901 7.902 9.067 1.00 33.16 O ATOM 2629 CB THR B 113 2.304 9.846 8.488 1.00 35.32 C ATOM 2630 OG1 THR B 113 1.093 10.103 7.767 1.00 41.61 O ATOM 2631 CG2 THR B 113 3.450 10.582 7.891 1.00 35.84 C ATOM 2632 HA THR B 113 2.838 7.908 7.586 1.00 0.00 H ATOM 2633 HB THR B 113 2.196 10.213 9.509 1.00 0.00 H ATOM 2634 HG1 THR B 113 0.933 11.079 7.731 1.00 0.00 H ATOM 2635 HG23 THR B 113 4.354 10.367 8.460 1.00 0.00 H ATOM 2636 HG21 THR B 113 3.585 10.264 6.857 1.00 0.00 H ATOM 2637 HG22 THR B 113 3.247 11.653 7.920 1.00 0.00 H ATOM 2638 H THR B 113 0.504 8.228 9.254 1.00 0.00 H ATOM 2639 N GLN B 114 3.430 8.188 10.807 1.00 34.79 N ATOM 2640 CA GLN B 114 4.497 8.059 11.815 1.00 36.04 C ATOM 2641 C GLN B 114 5.025 6.631 11.742 1.00 28.41 C ATOM 2642 O GLN B 114 6.222 6.395 11.775 1.00 33.33 O ATOM 2643 CB GLN B 114 3.955 8.412 13.217 1.00 38.96 C ATOM 2644 CG GLN B 114 3.598 9.898 13.468 1.00 45.06 C ATOM 2645 CD GLN B 114 3.589 10.303 14.969 1.00 44.17 C ATOM 2646 OE1 GLN B 114 4.516 9.971 15.706 1.00 43.04 O ATOM 2647 NE2 GLN B 114 2.530 10.995 15.412 1.00 42.32 N ATOM 2648 HA GLN B 114 5.313 8.754 11.618 1.00 0.00 H ATOM 2649 HB2 GLN B 114 3.053 7.822 13.381 1.00 0.00 H ATOM 2650 HB3 GLN B 114 4.713 8.126 13.947 1.00 0.00 H ATOM 2651 HG2 GLN B 114 4.329 10.518 12.950 1.00 0.00 H ATOM 2652 HG3 GLN B 114 2.607 10.087 13.056 1.00 0.00 H ATOM 2653 HE22 GLN B 114 1.767 11.256 14.755 1.00 0.00 H ATOM 2654 HE21 GLN B 114 2.471 11.271 16.413 1.00 0.00 H ATOM 2655 H GLN B 114 2.445 8.333 11.107 1.00 0.00 H ATOM 2656 N CYS B 115 4.113 5.677 11.610 1.00 30.35 N ATOM 2657 CA CYS B 115 4.473 4.253 11.467 1.00 33.32 C ATOM 2658 C CYS B 115 5.286 3.920 10.210 1.00 30.58 C ATOM 2659 O CYS B 115 6.163 3.066 10.244 1.00 29.58 O ATOM 2660 CB CYS B 115 3.205 3.384 11.457 1.00 34.00 C ATOM 2661 SG CYS B 115 2.226 3.416 13.012 1.00 41.36 S ATOM 2662 HA CYS B 115 5.108 4.038 12.327 1.00 0.00 H ATOM 2663 HB2 CYS B 115 3.503 2.353 11.267 1.00 0.00 H ATOM 2664 HB3 CYS B 115 2.564 3.731 10.647 1.00 0.00 H ATOM 2665 HG CYS B 115 2.456 4.776 12.972 1.00 0.00 H ATOM 2666 H CYS B 115 3.107 5.942 11.607 1.00 0.00 H ATOM 2667 N SER B 116 4.974 4.558 9.090 1.00 32.38 N ATOM 2668 CA SER B 116 5.756 4.307 7.815 1.00 31.70 C ATOM 2669 C SER B 116 7.181 4.831 8.070 1.00 30.05 C ATOM 2670 O SER B 116 8.223 4.196 7.778 1.00 34.25 O ATOM 2671 CB SER B 116 5.051 5.018 6.602 1.00 32.36 C ATOM 2672 OG SER B 116 5.773 4.857 5.393 1.00 37.49 O ATOM 2673 HA SER B 116 5.798 3.249 7.555 1.00 0.00 H ATOM 2674 HB2 SER B 116 4.965 6.082 6.821 1.00 0.00 H ATOM 2675 HB3 SER B 116 4.055 4.593 6.476 1.00 0.00 H ATOM 2676 HG SER B 116 5.850 3.893 5.182 1.00 0.00 H ATOM 2677 H SER B 116 4.186 5.237 9.086 1.00 0.00 H ATOM 2678 N SER B 117 7.233 5.978 8.705 1.00 28.87 N ATOM 2679 CA SER B 117 8.503 6.595 8.943 1.00 30.83 C ATOM 2680 C SER B 117 9.391 5.764 9.867 1.00 30.76 C ATOM 2681 O SER B 117 10.555 5.421 9.514 1.00 32.45 O ATOM 2682 CB SER B 117 8.277 7.988 9.469 1.00 34.05 C ATOM 2683 OG SER B 117 9.511 8.691 9.462 1.00 38.64 O ATOM 2684 HA SER B 117 9.048 6.655 8.001 1.00 0.00 H ATOM 2685 HB2 SER B 117 7.891 7.936 10.487 1.00 0.00 H ATOM 2686 HB3 SER B 117 7.557 8.506 8.835 1.00 0.00 H ATOM 2687 HG SER B 117 9.369 9.608 9.807 1.00 0.00 H ATOM 2688 H SER B 117 6.359 6.435 9.033 1.00 0.00 H ATOM 2689 N PHE B 118 8.802 5.345 10.991 1.00 32.17 N ATOM 2690 CA PHE B 118 9.565 4.646 12.055 1.00 32.53 C ATOM 2691 C PHE B 118 9.881 3.223 11.669 1.00 29.39 C ATOM 2692 O PHE B 118 11.006 2.729 11.840 1.00 32.96 O ATOM 2693 CB PHE B 118 8.765 4.681 13.381 1.00 32.89 C ATOM 2694 CG PHE B 118 8.704 6.032 14.006 1.00 30.47 C ATOM 2695 CD1 PHE B 118 9.770 6.907 13.920 1.00 29.65 C ATOM 2696 CD2 PHE B 118 7.597 6.404 14.748 1.00 36.41 C ATOM 2697 CE1 PHE B 118 9.720 8.164 14.512 1.00 36.05 C ATOM 2698 CE2 PHE B 118 7.522 7.651 15.368 1.00 34.58 C ATOM 2699 CZ PHE B 118 8.575 8.554 15.220 1.00 36.06 C ATOM 2700 HA PHE B 118 10.513 5.166 12.190 1.00 0.00 H ATOM 2701 HB2 PHE B 118 7.747 4.349 13.178 1.00 0.00 H ATOM 2702 HB3 PHE B 118 9.236 3.996 14.086 1.00 0.00 H ATOM 2703 HD2 PHE B 118 6.765 5.707 14.850 1.00 0.00 H ATOM 2704 HE2 PHE B 118 6.648 7.918 15.963 1.00 0.00 H ATOM 2705 HZ PHE B 118 8.508 9.553 15.651 1.00 0.00 H ATOM 2706 HE1 PHE B 118 10.568 8.843 14.426 1.00 0.00 H ATOM 2707 HD1 PHE B 118 10.667 6.606 13.378 1.00 0.00 H ATOM 2708 H PHE B 118 7.784 5.513 11.123 1.00 0.00 H ATOM 2709 N ASN B 119 8.913 2.555 11.074 1.00 33.00 N ATOM 2710 CA ASN B 119 9.194 1.213 10.555 1.00 30.56 C ATOM 2711 C ASN B 119 10.390 1.069 9.660 1.00 30.77 C ATOM 2712 O ASN B 119 11.048 0.017 9.666 1.00 33.73 O ATOM 2713 CB ASN B 119 7.983 0.649 9.861 1.00 35.14 C ATOM 2714 CG ASN B 119 7.023 -0.040 10.831 1.00 34.37 C ATOM 2715 OD1 ASN B 119 7.444 -0.749 11.755 1.00 39.66 O ATOM 2716 ND2 ASN B 119 5.743 0.111 10.592 1.00 34.24 N ATOM 2717 HA ASN B 119 9.448 0.646 11.451 1.00 0.00 H ATOM 2718 HB2 ASN B 119 7.454 1.462 9.363 1.00 0.00 H ATOM 2719 HB3 ASN B 119 8.312 -0.078 9.118 1.00 0.00 H ATOM 2720 HD22 ASN B 119 5.428 0.715 9.806 1.00 0.00 H ATOM 2721 HD21 ASN B 119 5.042 -0.373 11.188 1.00 0.00 H ATOM 2722 H ASN B 119 7.966 2.973 10.974 1.00 0.00 H ATOM 2723 N ARG B 120 10.647 2.110 8.874 1.00 38.37 N ATOM 2724 CA ARG B 120 11.794 2.201 7.982 1.00 41.71 C ATOM 2725 C ARG B 120 13.059 2.663 8.740 1.00 38.95 C ATOM 2726 O ARG B 120 14.090 2.019 8.604 1.00 37.71 O ATOM 2727 CB ARG B 120 11.501 3.130 6.749 1.00 46.94 C ATOM 2728 CG ARG B 120 12.743 3.555 5.928 1.00 51.38 C ATOM 2729 CD ARG B 120 13.287 2.439 5.039 1.00 56.79 C ATOM 2730 NE ARG B 120 12.214 2.057 4.133 1.00 75.33 N ATOM 2731 CZ ARG B 120 11.829 2.733 3.030 1.00 71.66 C ATOM 2732 NH1 ARG B 120 12.498 3.828 2.608 1.00 71.90 N ATOM 2733 NH2 ARG B 120 10.759 2.294 2.341 1.00 48.78 N ATOM 2734 HA ARG B 120 11.983 1.199 7.596 1.00 0.00 H ATOM 2735 HB2 ARG B 120 10.822 2.599 6.082 1.00 0.00 H ATOM 2736 HB3 ARG B 120 11.015 4.034 7.116 1.00 0.00 H ATOM 2737 HG2 ARG B 120 12.468 4.399 5.296 1.00 0.00 H ATOM 2738 HG3 ARG B 120 13.528 3.861 6.620 1.00 0.00 H ATOM 2739 HD2 ARG B 120 13.585 1.586 5.648 1.00 0.00 H ATOM 2740 HD3 ARG B 120 14.147 2.797 4.472 1.00 0.00 H ATOM 2741 HE ARG B 120 11.696 1.183 4.356 1.00 0.00 H ATOM 2742 HH12 ARG B 120 12.183 4.333 1.755 1.00 0.00 H ATOM 2743 HH11 ARG B 120 13.328 4.166 3.136 1.00 0.00 H ATOM 2744 HH22 ARG B 120 10.446 2.801 1.488 1.00 0.00 H ATOM 2745 HH21 ARG B 120 10.245 1.448 2.661 1.00 0.00 H ATOM 2746 H ARG B 120 9.985 2.912 8.898 1.00 0.00 H ATOM 2747 N THR B 121 13.005 3.741 9.527 1.00 39.28 N ATOM 2748 CA THR B 121 14.270 4.291 10.075 1.00 40.58 C ATOM 2749 C THR B 121 14.843 3.523 11.266 1.00 39.76 C ATOM 2750 O THR B 121 16.013 3.661 11.584 1.00 38.23 O ATOM 2751 CB THR B 121 14.106 5.762 10.460 1.00 43.77 C ATOM 2752 OG1 THR B 121 13.070 5.891 11.417 1.00 46.35 O ATOM 2753 CG2 THR B 121 13.667 6.535 9.251 1.00 49.96 C ATOM 2754 HA THR B 121 14.988 4.182 9.262 1.00 0.00 H ATOM 2755 HB THR B 121 15.053 6.129 10.854 1.00 0.00 H ATOM 2756 HG1 THR B 121 12.222 5.555 11.031 1.00 0.00 H ATOM 2757 HG23 THR B 121 14.434 6.467 8.480 1.00 0.00 H ATOM 2758 HG21 THR B 121 12.733 6.118 8.874 1.00 0.00 H ATOM 2759 HG22 THR B 121 13.516 7.579 9.524 1.00 0.00 H ATOM 2760 H THR B 121 12.093 4.187 9.752 1.00 0.00 H ATOM 2761 N MET B 122 14.022 2.672 11.869 1.00 41.09 N ATOM 2762 CA MET B 122 14.322 2.085 13.177 1.00 41.34 C ATOM 2763 C MET B 122 14.982 0.734 13.059 1.00 44.38 C ATOM 2764 O MET B 122 15.470 0.192 14.022 1.00 44.53 O ATOM 2765 CB MET B 122 13.033 1.962 14.013 1.00 39.87 C ATOM 2766 CG MET B 122 12.522 3.261 14.635 1.00 40.04 C ATOM 2767 SD MET B 122 13.751 4.148 15.667 1.00 41.98 S ATOM 2768 CE MET B 122 13.765 2.910 16.952 1.00 49.20 C ATOM 2769 HA MET B 122 15.024 2.753 13.676 1.00 0.00 H ATOM 2770 HB2 MET B 122 12.249 1.569 13.365 1.00 0.00 H ATOM 2771 HB3 MET B 122 13.223 1.255 14.821 1.00 0.00 H ATOM 2772 HG2 MET B 122 11.661 3.023 15.260 1.00 0.00 H ATOM 2773 HG3 MET B 122 12.212 3.925 13.829 1.00 0.00 H ATOM 2774 HE1 MET B 122 12.763 2.810 17.369 1.00 0.00 H ATOM 2775 HE2 MET B 122 14.082 1.956 16.532 1.00 0.00 H ATOM 2776 HE3 MET B 122 14.458 3.211 17.737 1.00 0.00 H ATOM 2777 H MET B 122 13.133 2.413 11.395 1.00 0.00 H ATOM 2778 N THR B 123 15.051 0.212 11.847 1.00 46.56 N ATOM 2779 CA THR B 123 15.505 -1.149 11.608 1.00 41.38 C ATOM 2780 C THR B 123 16.807 -1.596 12.283 1.00 37.11 C ATOM 2781 O THR B 123 16.851 -2.691 12.809 1.00 37.12 O ATOM 2782 CB THR B 123 15.535 -1.436 10.076 1.00 46.36 C ATOM 2783 OG1 THR B 123 14.191 -1.765 9.635 1.00 43.66 O ATOM 2784 CG2 THR B 123 16.448 -2.603 9.777 1.00 51.62 C ATOM 2785 HA THR B 123 14.761 -1.764 12.114 1.00 0.00 H ATOM 2786 HB THR B 123 15.904 -0.553 9.554 1.00 0.00 H ATOM 2787 HG1 THR B 123 14.200 -1.949 8.662 1.00 0.00 H ATOM 2788 HG23 THR B 123 17.460 -2.364 10.105 1.00 0.00 H ATOM 2789 HG21 THR B 123 16.092 -3.486 10.307 1.00 0.00 H ATOM 2790 HG22 THR B 123 16.449 -2.797 8.704 1.00 0.00 H ATOM 2791 H THR B 123 14.770 0.796 11.034 1.00 0.00 H ATOM 2792 N PRO B 124 17.879 -0.791 12.237 1.00 38.74 N ATOM 2793 CA PRO B 124 19.143 -1.189 12.931 1.00 37.88 C ATOM 2794 C PRO B 124 18.987 -1.320 14.468 1.00 40.55 C ATOM 2795 O PRO B 124 19.530 -2.240 15.083 1.00 40.66 O ATOM 2796 CB PRO B 124 20.113 -0.038 12.621 1.00 40.44 C ATOM 2797 CG PRO B 124 19.394 0.941 11.733 1.00 42.47 C ATOM 2798 CD PRO B 124 17.976 0.505 11.538 1.00 40.74 C ATOM 2799 HA PRO B 124 19.474 -2.169 12.588 1.00 0.00 H ATOM 2800 HD3 PRO B 124 17.288 1.229 11.974 1.00 0.00 H ATOM 2801 HD2 PRO B 124 17.753 0.387 10.478 1.00 0.00 H ATOM 2802 HG3 PRO B 124 19.895 0.987 10.766 1.00 0.00 H ATOM 2803 HG2 PRO B 124 19.409 1.928 12.196 1.00 0.00 H ATOM 2804 HB2 PRO B 124 20.415 0.452 13.546 1.00 0.00 H ATOM 2805 HB3 PRO B 124 20.996 -0.423 12.111 1.00 0.00 H ATOM 2806 N PHE B 125 18.265 -0.382 15.063 1.00 39.12 N ATOM 2807 CA PHE B 125 17.913 -0.444 16.512 1.00 40.31 C ATOM 2808 C PHE B 125 17.133 -1.679 16.904 1.00 38.82 C ATOM 2809 O PHE B 125 17.459 -2.369 17.895 1.00 36.96 O ATOM 2810 CB PHE B 125 17.085 0.763 16.914 1.00 41.28 C ATOM 2811 CG PHE B 125 17.087 1.002 18.394 1.00 40.67 C ATOM 2812 CD1 PHE B 125 18.280 1.353 19.044 1.00 41.67 C ATOM 2813 CD2 PHE B 125 15.922 0.826 19.151 1.00 39.54 C ATOM 2814 CE1 PHE B 125 18.299 1.558 20.436 1.00 48.63 C ATOM 2815 CE2 PHE B 125 15.938 1.025 20.538 1.00 42.99 C ATOM 2816 CZ PHE B 125 17.126 1.385 21.183 1.00 43.25 C ATOM 2817 HA PHE B 125 18.871 -0.467 17.031 1.00 0.00 H ATOM 2818 HB2 PHE B 125 17.491 1.645 16.418 1.00 0.00 H ATOM 2819 HB3 PHE B 125 16.057 0.605 16.588 1.00 0.00 H ATOM 2820 HD2 PHE B 125 14.996 0.532 18.658 1.00 0.00 H ATOM 2821 HE2 PHE B 125 15.022 0.899 21.116 1.00 0.00 H ATOM 2822 HZ PHE B 125 17.139 1.530 22.263 1.00 0.00 H ATOM 2823 HE1 PHE B 125 19.224 1.851 20.932 1.00 0.00 H ATOM 2824 HD1 PHE B 125 19.198 1.468 18.467 1.00 0.00 H ATOM 2825 H PHE B 125 17.932 0.426 14.500 1.00 0.00 H ATOM 2826 N LEU B 126 16.133 -1.998 16.091 1.00 35.43 N ATOM 2827 CA LEU B 126 15.309 -3.142 16.342 1.00 37.11 C ATOM 2828 C LEU B 126 16.076 -4.450 16.150 1.00 40.48 C ATOM 2829 O LEU B 126 15.843 -5.423 16.855 1.00 41.86 O ATOM 2830 CB LEU B 126 14.022 -3.093 15.502 1.00 38.13 C ATOM 2831 CG LEU B 126 13.133 -1.832 15.473 1.00 38.24 C ATOM 2832 CD1 LEU B 126 11.951 -2.051 14.535 1.00 35.53 C ATOM 2833 CD2 LEU B 126 12.620 -1.428 16.858 1.00 41.83 C ATOM 2834 HA LEU B 126 15.012 -3.111 17.390 1.00 0.00 H ATOM 2835 HB2 LEU B 126 14.318 -3.286 14.471 1.00 0.00 H ATOM 2836 HB3 LEU B 126 13.391 -3.908 15.856 1.00 0.00 H ATOM 2837 HG LEU B 126 13.759 -1.016 15.112 1.00 0.00 H ATOM 2838 HD21 LEU B 126 12.027 -2.242 17.276 1.00 0.00 H ATOM 2839 HD22 LEU B 126 13.467 -1.221 17.512 1.00 0.00 H ATOM 2840 HD23 LEU B 126 12.002 -0.535 16.769 1.00 0.00 H ATOM 2841 HD11 LEU B 126 12.320 -2.255 13.530 1.00 0.00 H ATOM 2842 HD12 LEU B 126 11.362 -2.898 14.886 1.00 0.00 H ATOM 2843 HD13 LEU B 126 11.329 -1.156 14.521 1.00 0.00 H ATOM 2844 H LEU B 126 15.945 -1.406 15.257 1.00 0.00 H ATOM 2845 N ASP B 127 16.957 -4.498 15.167 1.00 42.55 N ATOM 2846 CA ASP B 127 17.912 -5.600 15.061 1.00 45.50 C ATOM 2847 C ASP B 127 18.765 -5.702 16.377 1.00 43.60 C ATOM 2848 O ASP B 127 19.006 -6.776 16.893 1.00 39.95 O ATOM 2849 CB ASP B 127 18.876 -5.350 13.870 1.00 49.88 C ATOM 2850 CG ASP B 127 18.189 -5.429 12.491 1.00 52.55 C ATOM 2851 OD1 ASP B 127 17.117 -6.032 12.366 1.00 46.32 O ATOM 2852 OD2 ASP B 127 18.732 -4.885 11.521 1.00 55.55 O ATOM 2853 HA ASP B 127 17.356 -6.525 14.906 1.00 0.00 H ATOM 2854 HB2 ASP B 127 19.312 -4.357 13.982 1.00 0.00 H ATOM 2855 HB3 ASP B 127 19.668 -6.099 13.904 1.00 0.00 H ATOM 2856 H ASP B 127 16.972 -3.739 14.456 1.00 0.00 H ATOM 2857 N ALA B 128 19.254 -4.566 16.861 1.00 42.96 N ATOM 2858 CA ALA B 128 19.994 -4.519 18.135 1.00 49.81 C ATOM 2859 C ALA B 128 19.199 -5.189 19.269 1.00 49.26 C ATOM 2860 O ALA B 128 19.710 -6.031 19.990 1.00 45.34 O ATOM 2861 CB ALA B 128 20.340 -3.086 18.497 1.00 47.95 C ATOM 2862 HA ALA B 128 20.921 -5.078 18.005 1.00 0.00 H ATOM 2863 HB1 ALA B 128 20.959 -2.653 17.711 1.00 0.00 H ATOM 2864 HB2 ALA B 128 19.422 -2.507 18.598 1.00 0.00 H ATOM 2865 HB3 ALA B 128 20.886 -3.073 19.440 1.00 0.00 H ATOM 2866 H ALA B 128 19.111 -3.685 16.326 1.00 0.00 H ATOM 2867 N MET B 129 17.920 -4.853 19.375 1.00 53.48 N ATOM 2868 CA MET B 129 17.072 -5.430 20.408 1.00 50.65 C ATOM 2869 C MET B 129 17.030 -6.933 20.361 1.00 52.18 C ATOM 2870 O MET B 129 16.697 -7.565 21.354 1.00 57.05 O ATOM 2871 CB MET B 129 15.634 -4.953 20.289 1.00 45.64 C ATOM 2872 CG MET B 129 15.379 -3.602 20.855 1.00 46.40 C ATOM 2873 SD MET B 129 13.643 -3.301 20.604 1.00 45.74 S ATOM 2874 CE MET B 129 13.720 -1.529 20.432 1.00 47.31 C ATOM 2875 HA MET B 129 17.520 -5.100 21.345 1.00 0.00 H ATOM 2876 HB2 MET B 129 15.368 -4.934 19.232 1.00 0.00 H ATOM 2877 HB3 MET B 129 14.995 -5.666 20.810 1.00 0.00 H ATOM 2878 HG2 MET B 129 15.975 -2.852 20.335 1.00 0.00 H ATOM 2879 HG3 MET B 129 15.620 -3.582 21.918 1.00 0.00 H ATOM 2880 HE1 MET B 129 14.134 -1.095 21.342 1.00 0.00 H ATOM 2881 HE2 MET B 129 14.357 -1.275 19.585 1.00 0.00 H ATOM 2882 HE3 MET B 129 12.717 -1.138 20.265 1.00 0.00 H ATOM 2883 H MET B 129 17.516 -4.165 18.708 1.00 0.00 H ATOM 2884 N ARG B 130 17.290 -7.511 19.208 1.00 55.07 N ATOM 2885 CA ARG B 130 17.125 -8.953 19.066 1.00 63.59 C ATOM 2886 C ARG B 130 18.043 -9.795 19.954 1.00 62.78 C ATOM 2887 O ARG B 130 17.694 -10.933 20.256 1.00 62.11 O ATOM 2888 CB ARG B 130 17.317 -9.362 17.609 1.00 69.87 C ATOM 2889 CG ARG B 130 16.209 -8.865 16.701 1.00 73.96 C ATOM 2890 CD ARG B 130 14.960 -9.725 16.831 1.00 73.12 C ATOM 2891 NE ARG B 130 14.270 -9.683 15.559 1.00 86.30 N ATOM 2892 CZ ARG B 130 14.096 -10.710 14.731 1.00 84.08 C ATOM 2893 NH1 ARG B 130 14.472 -11.938 15.043 1.00 77.70 N ATOM 2894 NH2 ARG B 130 13.478 -10.497 13.585 1.00 97.82 N ATOM 2895 HA ARG B 130 16.109 -9.159 19.402 1.00 0.00 H ATOM 2896 HB2 ARG B 130 18.264 -8.955 17.256 1.00 0.00 H ATOM 2897 HB3 ARG B 130 17.348 -10.450 17.555 1.00 0.00 H ATOM 2898 HG2 ARG B 130 15.963 -7.838 16.970 1.00 0.00 H ATOM 2899 HG3 ARG B 130 16.556 -8.895 15.668 1.00 0.00 H ATOM 2900 HD2 ARG B 130 14.316 -9.331 17.617 1.00 0.00 H ATOM 2901 HD3 ARG B 130 15.238 -10.751 17.071 1.00 0.00 H ATOM 2902 HE ARG B 130 13.874 -8.767 15.266 1.00 0.00 H ATOM 2903 HH12 ARG B 130 14.319 -12.716 14.369 1.00 0.00 H ATOM 2904 HH11 ARG B 130 14.921 -12.127 15.962 1.00 0.00 H ATOM 2905 HH22 ARG B 130 13.329 -11.283 12.920 1.00 0.00 H ATOM 2906 HH21 ARG B 130 13.139 -9.543 13.346 1.00 0.00 H ATOM 2907 H ARG B 130 17.612 -6.941 18.400 1.00 0.00 H ATOM 2908 N THR B 131 19.200 -9.262 20.355 1.00 68.37 N ATOM 2909 CA THR B 131 20.151 -10.026 21.211 1.00 83.59 C ATOM 2910 C THR B 131 20.100 -9.764 22.721 1.00 83.94 C ATOM 2911 O THR B 131 20.842 -10.413 23.462 1.00 91.15 O ATOM 2912 CB THR B 131 21.639 -9.849 20.785 1.00 86.34 C ATOM 2913 OG1 THR B 131 21.810 -8.621 20.053 1.00 74.62 O ATOM 2914 CG2 THR B 131 22.123 -11.076 19.968 1.00 85.46 C ATOM 2915 HA THR B 131 19.790 -11.040 21.037 1.00 0.00 H ATOM 2916 HB THR B 131 22.256 -9.788 21.681 1.00 0.00 H ATOM 2917 HG1 THR B 131 22.760 -8.524 19.790 1.00 0.00 H ATOM 2918 HG23 THR B 131 21.977 -11.983 20.555 1.00 0.00 H ATOM 2919 HG21 THR B 131 21.550 -11.144 19.043 1.00 0.00 H ATOM 2920 HG22 THR B 131 23.181 -10.960 19.733 1.00 0.00 H ATOM 2921 H THR B 131 19.442 -8.293 20.064 1.00 0.00 H ATOM 2922 N VAL B 132 19.251 -8.843 23.181 1.00 84.23 N ATOM 2923 CA VAL B 132 19.216 -8.479 24.613 1.00 79.97 C ATOM 2924 C VAL B 132 18.271 -9.366 25.439 1.00 74.40 C ATOM 2925 O VAL B 132 17.779 -10.393 24.971 1.00 74.92 O ATOM 2926 CB VAL B 132 18.850 -6.989 24.832 1.00 75.82 C ATOM 2927 CG1 VAL B 132 19.129 -6.594 26.277 1.00 82.81 C ATOM 2928 CG2 VAL B 132 19.638 -6.077 23.901 1.00 70.03 C ATOM 2929 HA VAL B 132 20.232 -8.648 24.969 1.00 0.00 H ATOM 2930 HB VAL B 132 17.789 -6.872 24.610 1.00 0.00 H ATOM 2931 HG11 VAL B 132 18.530 -7.214 26.944 1.00 0.00 H ATOM 2932 HG12 VAL B 132 20.187 -6.741 26.495 1.00 0.00 H ATOM 2933 HG13 VAL B 132 18.869 -5.545 26.422 1.00 0.00 H ATOM 2934 HG21 VAL B 132 20.704 -6.202 24.089 1.00 0.00 H ATOM 2935 HG22 VAL B 132 19.417 -6.338 22.866 1.00 0.00 H ATOM 2936 HG23 VAL B 132 19.354 -5.041 24.084 1.00 0.00 H ATOM 2937 H VAL B 132 18.601 -8.372 22.519 1.00 0.00 H TER 2938 VAL B 132 HETATM 2939 O HOH 1 -3.512 -2.331 -1.636 1.00 33.73 O HETATM 2940 O HOH 2 3.418 -1.973 11.871 1.00 22.15 O HETATM 2941 O HOH 3 4.623 2.697 4.742 1.00 38.30 O HETATM 2942 O HOH 4 3.263 -0.986 -0.922 1.00 38.90 O HETATM 2943 O HOH 5 1.436 -2.134 -2.521 1.00 43.68 O HETATM 2944 O HOH 6 4.893 0.441 3.314 1.00 36.09 O HETATM 2945 O HOH 7 11.994 -8.551 6.271 1.00 45.65 O HETATM 2946 O HOH 8 -2.848 -4.534 -4.617 1.00 42.87 O HETATM 2947 O HOH 9 0.074 -33.808 -4.390 1.00 66.81 O HETATM 2948 O HOH 10 12.859 -7.077 4.438 1.00 44.99 O HETATM 2949 O HOH 11 -10.036 -0.444 10.615 1.00 45.79 O HETATM 2950 O HOH 12 -7.928 -0.717 13.452 1.00 35.81 O HETATM 2951 O HOH 13 -1.865 2.300 6.851 1.00 43.27 O HETATM 2952 O HOH 14 10.081 -19.342 7.666 1.00 48.70 O HETATM 2953 O HOH 15 0.263 4.207 25.376 1.00 33.73 O HETATM 2954 O HOH 16 -0.024 -5.352 18.998 1.00 38.30 O HETATM 2955 O HOH 17 2.485 -2.333 24.662 1.00 38.90 O HETATM 2956 O HOH 18 2.566 -0.177 26.261 1.00 43.68 O HETATM 2957 O HOH 19 2.065 -4.458 20.426 1.00 36.09 O HETATM 2958 O HOH 20 13.402 -6.112 17.469 1.00 45.65 O HETATM 2959 O HOH 21 2.503 4.733 28.357 1.00 42.87 O HETATM 2960 O HOH 22 29.316 16.840 28.130 1.00 66.81 O HETATM 2961 O HOH 23 12.558 -7.598 19.302 1.00 44.99 O HETATM 2962 O HOH 24 -4.633 8.913 13.125 1.00 45.79 O HETATM 2963 O HOH 25 -3.343 7.224 10.288 1.00 35.81 O HETATM 2964 O HOH 26 -2.924 0.465 16.889 1.00 43.27 O HETATM 2965 O HOH 27 21.791 0.941 16.074 1.00 48.70 O HETATM 2966 N ARG A 28 -14.458 -14.598 6.608 1.00 0.24 N HETATM 2967 CA ARG A 28 -13.262 -14.751 7.494 1.00 0.07 C HETATM 2968 C ARG A 28 -11.933 -15.135 6.784 1.00 0.23 C HETATM 2969 O ARG A 28 -11.351 -16.188 7.095 1.00 -0.39 O HETATM 2970 N ARG A 28 -11.455 -14.262 5.872 1.00 -0.26 N HETATM 2971 CA ARG A 28 -10.110 -14.376 5.252 1.00 0.16 C HETATM 2972 C ARG A 28 -9.005 -14.369 6.322 1.00 0.21 C HETATM 2973 O ARG A 28 -8.049 -15.176 6.270 1.00 -0.39 O HETATM 2974 N ARG A 28 -9.120 -13.444 7.281 1.00 -0.26 N HETATM 2975 CA ARG A 28 -8.049 -13.267 8.301 1.00 0.14 C HETATM 2976 C ARG A 28 -7.861 -14.535 9.115 1.00 0.21 C HETATM 2977 O ARG A 28 -6.740 -15.015 9.299 1.00 -0.39 O HETATM 2978 N ARG A 28 -8.973 -15.080 9.589 1.00 -0.26 N HETATM 2979 CA ARG A 28 -8.927 -16.275 10.400 1.00 0.13 C HETATM 2980 C ARG A 28 -8.297 -17.397 9.597 1.00 0.20 C HETATM 2981 O ARG A 28 -7.379 -18.062 10.084 1.00 -0.39 O HETATM 2982 N ARG A 28 -8.784 -17.574 8.358 1.00 -0.26 N HETATM 2983 CA ARG A 28 -8.194 -18.510 7.396 1.00 0.13 C HETATM 2984 C ARG A 28 -6.707 -18.341 7.241 1.00 0.20 C HETATM 2985 O ARG A 28 -5.942 -19.306 7.303 1.00 -0.39 O HETATM 2986 N ARG A 28 -6.301 -17.097 7.015 1.00 -0.26 N HETATM 2987 CA ARG A 28 -4.903 -16.781 6.785 1.00 0.13 C HETATM 2988 C ARG A 28 -4.047 -16.989 8.037 1.00 0.20 C HETATM 2989 O ARG A 28 -2.981 -17.581 7.941 1.00 -0.39 O HETATM 2990 N ARG A 28 -4.515 -16.506 9.199 1.00 -0.26 N HETATM 2991 CA ARG A 28 -3.764 -16.670 10.487 1.00 0.13 C HETATM 2992 C ARG A 28 -3.628 -18.159 10.825 1.00 0.20 C HETATM 2993 O ARG A 28 -2.555 -18.658 11.165 1.00 -0.39 O HETATM 2994 N ARG A 28 -4.706 -18.888 10.618 1.00 -0.26 N HETATM 2995 CA ARG A 28 -4.677 -20.350 10.733 1.00 0.15 C HETATM 2996 C ARG A 28 -3.590 -20.969 9.847 1.00 0.21 C HETATM 2997 O ARG A 28 -2.729 -21.737 10.328 1.00 -0.39 O HETATM 2998 N ARG A 28 -3.594 -20.609 8.561 1.00 -0.26 N HETATM 2999 CA ARG A 28 -2.635 -21.195 7.619 1.00 0.15 C HETATM 3000 C ARG A 28 -1.219 -20.903 8.051 1.00 0.21 C HETATM 3001 O ARG A 28 -0.402 -21.817 8.038 1.00 -0.39 O HETATM 3002 N ARG A 28 -0.934 -19.646 8.425 1.00 -0.26 N HETATM 3003 CA ARG A 28 0.395 -19.265 8.938 1.00 0.13 C HETATM 3004 C ARG A 28 0.773 -20.194 10.116 1.00 0.20 C HETATM 3005 O ARG A 28 1.901 -20.682 10.188 1.00 -0.39 O HETATM 3006 N ARG A 28 -0.169 -20.391 11.049 1.00 -0.26 N HETATM 3007 CA ARG A 28 0.019 -21.300 12.206 1.00 0.15 C HETATM 3008 C ARG A 28 0.403 -22.689 11.748 1.00 0.21 C HETATM 3009 O ARG A 28 1.386 -23.242 12.233 1.00 -0.39 O HETATM 3010 N ARG A 28 -0.359 -23.241 10.800 1.00 -0.26 N HETATM 3011 CA ARG A 28 -0.029 -24.548 10.242 1.00 0.14 C HETATM 3012 C ARG A 28 1.412 -24.561 9.817 1.00 0.21 C HETATM 3013 O ARG A 28 2.187 -25.416 10.247 1.00 -0.39 O HETATM 3014 N ARG A 28 1.779 -23.576 9.004 1.00 -0.26 N HETATM 3015 CA ARG A 28 3.103 -23.552 8.429 1.00 0.14 C HETATM 3016 C ARG A 28 4.166 -23.661 9.516 1.00 0.21 C HETATM 3017 O ARG A 28 5.124 -24.398 9.372 1.00 -0.39 O HETATM 3018 N ARG A 28 4.008 -22.927 10.605 1.00 -0.26 N HETATM 3019 CA ARG A 28 5.065 -22.881 11.615 1.00 0.14 C HETATM 3020 C ARG A 28 4.884 -23.962 12.704 1.00 0.21 C HETATM 3021 O ARG A 28 4.630 -23.683 13.877 1.00 -0.39 O HETATM 3022 N ARG A 28 5.021 -25.213 12.259 1.00 -0.27 N HETATM 3023 CA ARG A 28 5.029 -26.391 13.124 1.00 0.11 C HETATM 3024 C ARG A 28 6.283 -27.194 12.826 1.00 0.06 C HETATM 3025 O ARG A 28 7.085 -27.453 13.719 1.00 -0.57 O HETATM 3026 OXT ARG A 28 6.512 -27.595 11.688 1.00 -0.57 O HETATM 3027 CB ARG A 28 3.803 -27.269 12.864 1.00 0.04 C HETATM 3028 CG ARG A 28 2.512 -26.641 13.371 1.00 0.04 C HETATM 3029 OD1 ARG A 28 2.574 -25.839 14.329 1.00 -0.57 O HETATM 3030 OD2 ARG A 28 1.432 -26.951 12.816 1.00 -0.57 O HETATM 3031 H120 ARG A 28 3.947 -28.234 13.371 1.00 0.05 H HETATM 3032 H121 ARG A 28 3.712 -27.434 11.780 1.00 0.05 H HETATM 3033 H119 ARG A 28 5.031 -26.072 14.177 1.00 0.07 H HETATM 3034 H118 ARG A 28 5.124 -25.353 11.274 1.00 0.19 H HETATM 3035 CB ARG A 28 5.230 -21.438 12.136 1.00 0.02 C HETATM 3036 CG ARG A 28 5.895 -20.522 11.095 1.00 -0.05 C HETATM 3037 CD1 ARG A 28 7.134 -20.875 10.551 1.00 -0.07 C HETATM 3038 CE1 ARG A 28 7.746 -20.100 9.588 1.00 -0.04 C HETATM 3039 CZ ARG A 28 7.139 -18.937 9.158 1.00 0.08 C HETATM 3040 CE2 ARG A 28 5.906 -18.535 9.681 1.00 -0.04 C HETATM 3041 CD2 ARG A 28 5.281 -19.330 10.633 1.00 -0.07 C HETATM 3042 H114 ARG A 28 4.315 -19.037 11.027 1.00 0.05 H HETATM 3043 H116 ARG A 28 5.443 -17.613 9.347 1.00 0.05 H HETATM 3044 OH ARG A 28 7.820 -18.214 8.201 1.00 -0.34 O HETATM 3045 H117 ARG A 28 8.631 -18.660 7.986 1.00 0.25 H HETATM 3046 H115 ARG A 28 8.700 -20.403 9.171 1.00 0.05 H HETATM 3047 H113 ARG A 28 7.625 -21.779 10.894 1.00 0.05 H HETATM 3048 H111 ARG A 28 5.853 -21.457 13.042 1.00 0.05 H HETATM 3049 H112 ARG A 28 4.237 -21.034 12.382 1.00 0.05 H HETATM 3050 H110 ARG A 28 6.005 -23.131 11.102 1.00 0.08 H HETATM 3051 H109 ARG A 28 3.166 -22.404 10.738 1.00 0.19 H HETATM 3052 CB ARG A 28 3.317 -22.289 7.586 1.00 0.02 C HETATM 3053 CG ARG A 28 4.572 -22.331 6.772 1.00 -0.04 C HETATM 3054 CD1 ARG A 28 4.587 -22.949 5.532 1.00 -0.06 C HETATM 3055 CE1 ARG A 28 5.747 -23.000 4.776 1.00 -0.07 C HETATM 3056 CZ ARG A 28 6.918 -22.440 5.269 1.00 -0.07 C HETATM 3057 CE2 ARG A 28 6.936 -21.827 6.516 1.00 -0.07 C HETATM 3058 CD2 ARG A 28 5.763 -21.775 7.260 1.00 -0.06 C HETATM 3059 H105 ARG A 28 5.769 -21.297 8.233 1.00 0.06 H HETATM 3060 H107 ARG A 28 7.852 -21.395 6.903 1.00 0.06 H HETATM 3061 H108 ARG A 28 7.825 -22.481 4.677 1.00 0.06 H HETATM 3062 H106 ARG A 28 5.740 -23.476 3.802 1.00 0.06 H HETATM 3063 H104 ARG A 28 3.679 -23.399 5.148 1.00 0.06 H HETATM 3064 H102 ARG A 28 3.367 -21.422 8.261 1.00 0.05 H HETATM 3065 H103 ARG A 28 2.462 -22.174 6.904 1.00 0.05 H HETATM 3066 H101 ARG A 28 3.202 -24.424 7.766 1.00 0.08 H HETATM 3067 H100 ARG A 28 1.132 -22.845 8.789 1.00 0.19 H HETATM 3068 CB ARG A 28 -0.941 -24.896 9.071 1.00 0.04 C HETATM 3069 CG ARG A 28 -2.347 -25.169 9.522 1.00 0.04 C HETATM 3070 OD1 ARG A 28 -2.566 -25.200 10.755 1.00 -0.57 O HETATM 3071 OD2 ARG A 28 -3.233 -25.330 8.667 1.00 -0.57 O HETATM 3072 H98 ARG A 28 -0.548 -25.792 8.568 1.00 0.05 H HETATM 3073 H99 ARG A 28 -0.951 -24.053 8.364 1.00 0.05 H HETATM 3074 H97 ARG A 28 -0.170 -25.307 11.025 1.00 0.08 H HETATM 3075 H96 ARG A 28 -1.166 -22.752 10.469 1.00 0.19 H HETATM 3076 CB ARG A 28 -1.252 -21.423 13.062 1.00 0.08 C HETATM 3077 OG ARG A 28 -1.779 -20.155 13.395 1.00 -0.39 O HETATM 3078 H95 ARG A 28 -1.997 -19.685 12.599 1.00 0.21 H HETATM 3079 H93 ARG A 28 -1.008 -21.963 13.989 1.00 0.06 H HETATM 3080 H94 ARG A 28 -2.009 -21.987 12.498 1.00 0.06 H HETATM 3081 H92 ARG A 28 0.828 -20.894 12.831 1.00 0.08 H HETATM 3082 H91 ARG A 28 -1.038 -19.903 10.961 1.00 0.19 H HETATM 3083 CB ARG A 28 0.472 -17.811 9.509 1.00 -0.00 C HETATM 3084 CG1 ARG A 28 -0.176 -16.738 8.625 1.00 -0.05 C HETATM 3085 CD1 ARG A 28 0.379 -16.650 7.243 1.00 -0.06 C HETATM 3086 H88 ARG A 28 -0.144 -15.858 6.688 1.00 0.02 H HETATM 3087 H89 ARG A 28 0.238 -17.612 6.729 1.00 0.02 H HETATM 3088 H90 ARG A 28 1.452 -16.415 7.293 1.00 0.02 H HETATM 3089 H83 ARG A 28 -0.037 -15.762 9.113 1.00 0.03 H HETATM 3090 H84 ARG A 28 -1.251 -16.960 8.549 1.00 0.03 H HETATM 3091 CG2 ARG A 28 1.916 -17.426 9.783 1.00 -0.06 C HETATM 3092 H85 ARG A 28 2.386 -18.192 10.417 1.00 0.02 H HETATM 3093 H86 ARG A 28 1.945 -16.455 10.299 1.00 0.02 H HETATM 3094 H87 ARG A 28 2.463 -17.352 8.831 1.00 0.02 H HETATM 3095 H82 ARG A 28 -0.069 -17.813 10.467 1.00 0.03 H HETATM 3096 H81 ARG A 28 1.125 -19.371 8.122 1.00 0.08 H HETATM 3097 H80 ARG A 28 -1.645 -18.946 8.354 1.00 0.19 H HETATM 3098 CB ARG A 28 -2.850 -20.696 6.195 1.00 0.08 C HETATM 3099 OG ARG A 28 -4.191 -20.886 5.790 1.00 -0.39 O HETATM 3100 H79 ARG A 28 -4.768 -20.406 6.372 1.00 0.21 H HETATM 3101 H77 ARG A 28 -2.187 -21.251 5.515 1.00 0.06 H HETATM 3102 H78 ARG A 28 -2.609 -19.624 6.149 1.00 0.06 H HETATM 3103 H76 ARG A 28 -2.781 -22.285 7.624 1.00 0.08 H HETATM 3104 H75 ARG A 28 -4.257 -19.934 8.238 1.00 0.19 H HETATM 3105 CB ARG A 28 -6.056 -20.906 10.373 1.00 0.08 C HETATM 3106 OG ARG A 28 -6.143 -22.261 10.708 1.00 -0.39 O HETATM 3107 H74 ARG A 28 -7.005 -22.588 10.478 1.00 0.21 H HETATM 3108 H72 ARG A 28 -6.222 -20.790 9.292 1.00 0.06 H HETATM 3109 H73 ARG A 28 -6.826 -20.347 10.924 1.00 0.06 H HETATM 3110 H71 ARG A 28 -4.455 -20.612 11.778 1.00 0.08 H HETATM 3111 H70 ARG A 28 -5.564 -18.434 10.377 1.00 0.19 H HETATM 3112 CB ARG A 28 -4.424 -15.864 11.630 1.00 0.00 C HETATM 3113 CG ARG A 28 -3.491 -15.403 12.771 1.00 0.04 C HETATM 3114 CD ARG A 28 -1.966 -15.226 12.416 1.00 0.17 C HETATM 3115 OE1 ARG A 28 -1.200 -16.212 12.301 1.00 -0.40 O HETATM 3116 NE2 ARG A 28 -1.519 -13.973 12.316 1.00 -0.30 N HETATM 3117 H68 ARG A 28 -0.560 -13.801 12.093 1.00 0.18 H HETATM 3118 H69 ARG A 28 -2.143 -13.206 12.464 1.00 0.18 H HETATM 3119 H66 ARG A 28 -3.560 -16.147 13.578 1.00 0.05 H HETATM 3120 H67 ARG A 28 -3.863 -14.433 13.133 1.00 0.05 H HETATM 3121 H64 ARG A 28 -5.210 -16.494 12.073 1.00 0.03 H HETATM 3122 H65 ARG A 28 -4.880 -14.966 11.187 1.00 0.03 H HETATM 3123 H63 ARG A 28 -2.751 -16.266 10.342 1.00 0.08 H HETATM 3124 H62 ARG A 28 -5.390 -16.023 9.206 1.00 0.19 H HETATM 3125 CB ARG A 28 -4.770 -15.343 6.270 1.00 -0.01 C HETATM 3126 CG1 ARG A 28 -3.328 -14.873 6.367 1.00 -0.06 C HETATM 3127 H56 ARG A 28 -3.253 -13.841 5.994 1.00 0.02 H HETATM 3128 H57 ARG A 28 -2.687 -15.530 5.761 1.00 0.02 H HETATM 3129 H58 ARG A 28 -3.001 -14.908 7.417 1.00 0.02 H HETATM 3130 CG2 ARG A 28 -5.289 -15.299 4.840 1.00 -0.06 C HETATM 3131 H59 ARG A 28 -6.332 -15.646 4.818 1.00 0.02 H HETATM 3132 H60 ARG A 28 -4.672 -15.952 4.206 1.00 0.02 H HETATM 3133 H61 ARG A 28 -5.238 -14.267 4.463 1.00 0.02 H HETATM 3134 H55 ARG A 28 -5.391 -14.681 6.891 1.00 0.03 H HETATM 3135 H54 ARG A 28 -4.527 -17.461 6.006 1.00 0.08 H HETATM 3136 H53 ARG A 28 -6.976 -16.359 7.003 1.00 0.19 H HETATM 3137 CB ARG A 28 -8.816 -18.329 5.997 1.00 0.00 C HETATM 3138 CG ARG A 28 -10.114 -19.095 5.781 1.00 0.04 C HETATM 3139 CD ARG A 28 -10.043 -20.558 6.274 1.00 0.17 C HETATM 3140 OE1 ARG A 28 -8.961 -21.199 6.271 1.00 -0.40 O HETATM 3141 NE2 ARG A 28 -11.201 -21.093 6.706 1.00 -0.30 N HETATM 3142 H51 ARG A 28 -11.223 -22.036 7.038 1.00 0.18 H HETATM 3143 H52 ARG A 28 -12.039 -20.547 6.695 1.00 0.18 H HETATM 3144 H49 ARG A 28 -10.344 -19.099 4.705 1.00 0.05 H HETATM 3145 H50 ARG A 28 -10.919 -18.581 6.326 1.00 0.05 H HETATM 3146 H47 ARG A 28 -8.086 -18.672 5.249 1.00 0.03 H HETATM 3147 H48 ARG A 28 -9.020 -17.259 5.847 1.00 0.03 H HETATM 3148 H46 ARG A 28 -8.397 -19.531 7.751 1.00 0.08 H HETATM 3149 H45 ARG A 28 -9.585 -17.044 8.079 1.00 0.19 H HETATM 3150 CB ARG A 28 -10.344 -16.635 10.872 1.00 -0.01 C HETATM 3151 CG ARG A 28 -10.392 -17.530 12.100 1.00 -0.02 C HETATM 3152 CD ARG A 28 -11.715 -17.392 12.849 1.00 0.06 C HETATM 3153 NE ARG A 28 -11.991 -18.570 13.676 1.00 -0.27 N HETATM 3154 CZ ARG A 28 -13.171 -18.847 14.248 1.00 0.29 C HETATM 3155 NH1 ARG A 28 -14.227 -18.024 14.107 1.00 -0.28 N HETATM 3156 H41 ARG A 28 -15.125 -18.256 14.555 1.00 0.26 H HETATM 3157 H42 ARG A 28 -14.137 -17.162 13.551 1.00 0.26 H HETATM 3158 NH2 ARG A 28 -13.296 -19.971 14.966 1.00 -0.28 N HETATM 3159 H43 ARG A 28 -12.491 -20.604 15.077 1.00 0.26 H HETATM 3160 H44 ARG A 28 -14.197 -20.203 15.408 1.00 0.26 H HETATM 3161 H40 ARG A 28 -11.220 -19.235 13.829 1.00 0.26 H HETATM 3162 H38 ARG A 28 -12.528 -17.270 12.118 1.00 0.07 H HETATM 3163 H39 ARG A 28 -11.668 -16.504 13.497 1.00 0.07 H HETATM 3164 H36 ARG A 28 -9.569 -17.252 12.776 1.00 0.03 H HETATM 3165 H37 ARG A 28 -10.269 -18.576 11.783 1.00 0.03 H HETATM 3166 H34 ARG A 28 -10.859 -17.153 10.049 1.00 0.03 H HETATM 3167 H35 ARG A 28 -10.875 -15.701 11.107 1.00 0.03 H HETATM 3168 H33 ARG A 28 -8.303 -16.084 11.285 1.00 0.08 H HETATM 3169 H32 ARG A 28 -9.856 -14.658 9.382 1.00 0.19 H HETATM 3170 CB ARG A 28 -8.320 -12.075 9.224 1.00 0.02 C HETATM 3171 CG ARG A 28 -7.447 -12.057 10.455 1.00 -0.04 C HETATM 3172 CD1 ARG A 28 -6.077 -11.783 10.351 1.00 -0.06 C HETATM 3173 CE1 ARG A 28 -5.271 -11.761 11.478 1.00 -0.07 C HETATM 3174 CZ ARG A 28 -5.829 -12.004 12.730 1.00 -0.07 C HETATM 3175 CE2 ARG A 28 -7.183 -12.287 12.853 1.00 -0.07 C HETATM 3176 CD2 ARG A 28 -7.992 -12.319 11.725 1.00 -0.06 C HETATM 3177 H28 ARG A 28 -9.047 -12.547 11.823 1.00 0.06 H HETATM 3178 H30 ARG A 28 -7.609 -12.483 13.831 1.00 0.06 H HETATM 3179 H31 ARG A 28 -5.203 -11.972 13.614 1.00 0.06 H HETATM 3180 H29 ARG A 28 -4.211 -11.556 11.385 1.00 0.06 H HETATM 3181 H27 ARG A 28 -5.643 -11.586 9.378 1.00 0.06 H HETATM 3182 H25 ARG A 28 -9.372 -12.114 9.543 1.00 0.05 H HETATM 3183 H26 ARG A 28 -8.143 -11.149 8.658 1.00 0.05 H HETATM 3184 H24 ARG A 28 -7.110 -13.067 7.765 1.00 0.08 H HETATM 3185 H23 ARG A 28 -9.934 -12.864 7.314 1.00 0.19 H HETATM 3186 CB ARG A 28 -9.759 -13.204 4.267 1.00 0.09 C HETATM 3187 OG1 ARG A 28 -10.936 -12.606 3.692 1.00 -0.39 O HETATM 3188 H19 ARG A 28 -10.679 -11.905 3.105 1.00 0.21 H HETATM 3189 CG2 ARG A 28 -8.803 -13.694 3.153 1.00 -0.03 C HETATM 3190 H20 ARG A 28 -8.571 -12.859 2.476 1.00 0.03 H HETATM 3191 H21 ARG A 28 -9.286 -14.503 2.585 1.00 0.03 H HETATM 3192 H22 ARG A 28 -7.873 -14.068 3.606 1.00 0.03 H HETATM 3193 H18 ARG A 28 -9.237 -12.427 4.845 1.00 0.06 H HETATM 3194 H17 ARG A 28 -10.075 -15.326 4.698 1.00 0.08 H HETATM 3195 H16 ARG A 28 -12.038 -13.497 5.599 1.00 0.19 H HETATM 3196 CB ARG A 28 -13.571 -15.763 8.601 1.00 0.01 C HETATM 3197 CG ARG A 28 -14.739 -15.366 9.489 1.00 -0.01 C HETATM 3198 CD ARG A 28 -14.506 -15.821 10.925 1.00 0.06 C HETATM 3199 NE ARG A 28 -15.740 -15.840 11.698 1.00 -0.27 N HETATM 3200 CZ ARG A 28 -16.688 -16.771 11.588 1.00 0.29 C HETATM 3201 NH1 ARG A 28 -16.571 -17.790 10.733 1.00 -0.28 N HETATM 3202 H12 ARG A 28 -17.318 -18.496 10.668 1.00 0.26 H HETATM 3203 H13 ARG A 28 -15.733 -17.870 10.139 1.00 0.26 H HETATM 3204 NH2 ARG A 28 -17.773 -16.681 12.339 1.00 -0.28 N HETATM 3205 H14 ARG A 28 -17.877 -15.900 13.003 1.00 0.26 H HETATM 3206 H15 ARG A 28 -18.514 -17.392 12.260 1.00 0.26 H HETATM 3207 H11 ARG A 28 -15.891 -15.081 12.377 1.00 0.26 H HETATM 3208 H9 ARG A 28 -13.796 -15.131 11.405 1.00 0.07 H HETATM 3209 H10 ARG A 28 -14.080 -16.835 10.912 1.00 0.07 H HETATM 3210 H7 ARG A 28 -15.658 -15.834 9.107 1.00 0.03 H HETATM 3211 H8 ARG A 28 -14.850 -14.272 9.471 1.00 0.03 H HETATM 3212 H5 ARG A 28 -12.677 -15.870 9.232 1.00 0.03 H HETATM 3213 H6 ARG A 28 -13.806 -16.730 8.131 1.00 0.03 H HETATM 3214 H4 ARG A 28 -13.094 -13.773 7.968 1.00 0.11 H HETATM 3215 H1 ARG A 28 -15.260 -14.350 7.166 1.00 0.20 H HETATM 3216 H2 ARG A 28 -14.636 -15.468 6.131 1.00 0.20 H HETATM 3217 H3 ARG A 28 -14.283 -13.873 5.930 1.00 0.20 H CONECT 1 2 16 17 18 CONECT 16 1 CONECT 17 1 CONECT 18 1 CONECT 366 365 370 1192 CONECT 1192 366 1191 1196 CONECT 1470 1471 1485 1486 1487 CONECT 1485 1470 CONECT 1486 1470 CONECT 1487 1470 CONECT 1835 1834 1839 2661 CONECT 2661 1835 2660 2665 CONECT 2966 2967 3215 3216 3217 CONECT 2967 2966 2968 3196 3214 CONECT 2968 2967 2969 2970 CONECT 2969 2968 CONECT 2970 2968 2971 3195 CONECT 2971 2970 2972 3186 3194 CONECT 2972 2971 2973 2974 CONECT 2973 2972 CONECT 2974 2972 2975 3185 CONECT 2975 2974 2976 3170 3184 CONECT 2976 2975 2977 2978 CONECT 2977 2976 CONECT 2978 2976 2979 3169 CONECT 2979 2978 2980 3150 3168 CONECT 2980 2979 2981 2982 CONECT 2981 2980 CONECT 2982 2980 2983 3149 CONECT 2983 2982 2984 3137 3148 CONECT 2984 2983 2985 2986 CONECT 2985 2984 CONECT 2986 2984 2987 3136 CONECT 2987 2986 2988 3125 3135 CONECT 2988 2987 2989 2990 CONECT 2989 2988 CONECT 2990 2988 2991 3124 CONECT 2991 2990 2992 3112 3123 CONECT 2992 2991 2993 2994 CONECT 2993 2992 CONECT 2994 2992 2995 3111 CONECT 2995 2994 2996 3105 3110 CONECT 2996 2995 2997 2998 CONECT 2997 2996 CONECT 2998 2996 2999 3104 CONECT 2999 2998 3000 3098 3103 CONECT 3000 2999 3001 3002 CONECT 3001 3000 CONECT 3002 3000 3003 3097 CONECT 3003 3002 3004 3083 3096 CONECT 3004 3003 3005 3006 CONECT 3005 3004 CONECT 3006 3004 3007 3082 CONECT 3007 3006 3008 3076 3081 CONECT 3008 3007 3009 3010 CONECT 3009 3008 CONECT 3010 3008 3011 3075 CONECT 3011 3010 3012 3068 3074 CONECT 3012 3011 3013 3014 CONECT 3013 3012 CONECT 3014 3012 3015 3067 CONECT 3015 3014 3016 3052 3066 CONECT 3016 3015 3017 3018 CONECT 3017 3016 CONECT 3018 3016 3019 3051 CONECT 3019 3018 3020 3035 3050 CONECT 3020 3019 3021 3022 CONECT 3021 3020 CONECT 3022 3020 3023 3034 CONECT 3023 3022 3024 3027 3033 CONECT 3024 3023 3025 3026 CONECT 3025 3024 CONECT 3026 3024 CONECT 3027 3023 3028 3031 3032 CONECT 3028 3027 3029 3030 CONECT 3029 3028 CONECT 3030 3028 CONECT 3031 3027 CONECT 3032 3027 CONECT 3033 3023 CONECT 3034 3022 CONECT 3035 3019 3036 3048 3049 CONECT 3036 3035 3037 3041 CONECT 3037 3036 3038 3047 CONECT 3038 3037 3039 3046 CONECT 3039 3038 3040 3044 CONECT 3040 3039 3041 3043 CONECT 3041 3036 3040 3042 CONECT 3042 3041 CONECT 3043 3040 CONECT 3044 3039 3045 CONECT 3045 3044 CONECT 3046 3038 CONECT 3047 3037 CONECT 3048 3035 CONECT 3049 3035 CONECT 3050 3019 CONECT 3051 3018 CONECT 3052 3015 3053 3064 3065 CONECT 3053 3052 3054 3058 CONECT 3054 3053 3055 3063 CONECT 3055 3054 3056 3062 CONECT 3056 3055 3057 3061 CONECT 3057 3056 3058 3060 CONECT 3058 3053 3057 3059 CONECT 3059 3058 CONECT 3060 3057 CONECT 3061 3056 CONECT 3062 3055 CONECT 3063 3054 CONECT 3064 3052 CONECT 3065 3052 CONECT 3066 3015 CONECT 3067 3014 CONECT 3068 3011 3069 3072 3073 CONECT 3069 3068 3070 3071 CONECT 3070 3069 CONECT 3071 3069 CONECT 3072 3068 CONECT 3073 3068 CONECT 3074 3011 CONECT 3075 3010 CONECT 3076 3007 3077 3079 3080 CONECT 3077 3076 3078 CONECT 3078 3077 CONECT 3079 3076 CONECT 3080 3076 CONECT 3081 3007 CONECT 3082 3006 CONECT 3083 3003 3084 3091 3095 CONECT 3084 3083 3085 3089 3090 CONECT 3085 3084 3086 3087 3088 CONECT 3086 3085 CONECT 3087 3085 CONECT 3088 3085 CONECT 3089 3084 CONECT 3090 3084 CONECT 3091 3083 3092 3093 3094 CONECT 3092 3091 CONECT 3093 3091 CONECT 3094 3091 CONECT 3095 3083 CONECT 3096 3003 CONECT 3097 3002 CONECT 3098 2999 3099 3101 3102 CONECT 3099 3098 3100 CONECT 3100 3099 CONECT 3101 3098 CONECT 3102 3098 CONECT 3103 2999 CONECT 3104 2998 CONECT 3105 2995 3106 3108 3109 CONECT 3106 3105 3107 CONECT 3107 3106 CONECT 3108 3105 CONECT 3109 3105 CONECT 3110 2995 CONECT 3111 2994 CONECT 3112 2991 3113 3121 3122 CONECT 3113 3112 3114 3119 3120 CONECT 3114 3113 3115 3116 CONECT 3115 3114 CONECT 3116 3114 3117 3118 CONECT 3117 3116 CONECT 3118 3116 CONECT 3119 3113 CONECT 3120 3113 CONECT 3121 3112 CONECT 3122 3112 CONECT 3123 2991 CONECT 3124 2990 CONECT 3125 2987 3126 3130 3134 CONECT 3126 3125 3127 3128 3129 CONECT 3127 3126 CONECT 3128 3126 CONECT 3129 3126 CONECT 3130 3125 3131 3132 3133 CONECT 3131 3130 CONECT 3132 3130 CONECT 3133 3130 CONECT 3134 3125 CONECT 3135 2987 CONECT 3136 2986 CONECT 3137 2983 3138 3146 3147 CONECT 3138 3137 3139 3144 3145 CONECT 3139 3138 3140 3141 CONECT 3140 3139 CONECT 3141 3139 3142 3143 CONECT 3142 3141 CONECT 3143 3141 CONECT 3144 3138 CONECT 3145 3138 CONECT 3146 3137 CONECT 3147 3137 CONECT 3148 2983 CONECT 3149 2982 CONECT 3150 2979 3151 3166 3167 CONECT 3151 3150 3152 3164 3165 CONECT 3152 3151 3153 3162 3163 CONECT 3153 3152 3154 3161 CONECT 3154 3153 3155 3158 CONECT 3155 3154 3156 3157 CONECT 3156 3155 CONECT 3157 3155 CONECT 3158 3154 3159 3160 CONECT 3159 3158 CONECT 3160 3158 CONECT 3161 3153 CONECT 3162 3152 CONECT 3163 3152 CONECT 3164 3151 CONECT 3165 3151 CONECT 3166 3150 CONECT 3167 3150 CONECT 3168 2979 CONECT 3169 2978 CONECT 3170 2975 3171 3182 3183 CONECT 3171 3170 3172 3176 CONECT 3172 3171 3173 3181 CONECT 3173 3172 3174 3180 CONECT 3174 3173 3175 3179 CONECT 3175 3174 3176 3178 CONECT 3176 3171 3175 3177 CONECT 3177 3176 CONECT 3178 3175 CONECT 3179 3174 CONECT 3180 3173 CONECT 3181 3172 CONECT 3182 3170 CONECT 3183 3170 CONECT 3184 2975 CONECT 3185 2974 CONECT 3186 2971 3187 3189 3193 CONECT 3187 3186 3188 CONECT 3188 3187 CONECT 3189 3186 3190 3191 3192 CONECT 3190 3189 CONECT 3191 3189 CONECT 3192 3189 CONECT 3193 3186 CONECT 3194 2971 CONECT 3195 2970 CONECT 3196 2967 3197 3212 3213 CONECT 3197 3196 3198 3210 3211 CONECT 3198 3197 3199 3208 3209 CONECT 3199 3198 3200 3207 CONECT 3200 3199 3201 3204 CONECT 3201 3200 3202 3203 CONECT 3202 3201 CONECT 3203 3201 CONECT 3204 3200 3205 3206 CONECT 3205 3204 CONECT 3206 3204 CONECT 3207 3199 CONECT 3208 3198 CONECT 3209 3198 CONECT 3210 3197 CONECT 3211 3197 CONECT 3212 3196 CONECT 3213 3196 CONECT 3214 2967 CONECT 3215 2966 CONECT 3216 2966 CONECT 3217 2966 MASTER 0 0 0 0 0 0 0 0 3215 2 264 16 END
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5kzp
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5mlo
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5o45
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5svz
RCSB PDB
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15-mer
5t1i
RCSB PDB
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15-mer
5twg
RCSB PDB
PDBbind
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5u66
RCSB PDB
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15-mer
5ul6
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15-mer
5uwj
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5v4b
RCSB PDB
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15-mer
5vb9
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15-mer
5vzy
RCSB PDB
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15-mer
5wir
RCSB PDB
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15-mer
5ypo
RCSB PDB
PDBbind
15-mer
5znp
RCSB PDB
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5zuj
RCSB PDB
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15-mer
6atv
RCSB PDB
PDBbind
15-mer
6b5m
RCSB PDB
PDBbind
15-mer
6b5o
RCSB PDB
PDBbind
15-mer
6b5r
RCSB PDB
PDBbind
15-mer
6b5t
RCSB PDB
PDBbind
15-mer
6biz
RCSB PDB
PDBbind
15-mer
6f0y
RCSB PDB
PDBbind
15-mer
6rmm
RCSB PDB
PDBbind
15-mer
6rml
RCSB PDB
PDBbind
15-mer
6q9t
RCSB PDB
PDBbind
15-mer
6hol
RCSB PDB
PDBbind
15-mer
6e5x
RCSB PDB
PDBbind
15-mer
6bnt
RCSB PDB
PDBbind
15-mer
5zk9
RCSB PDB
PDBbind
15-mer
5zjz
RCSB PDB
PDBbind
15-mer
5vtb
RCSB PDB
PDBbind
15-mer
6a5e
RCSB PDB
PDBbind
15-mer
Entry Information
PDB ID
4k0u
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Lipoprotein outS
Ligand Name
15-mer
EC.Number
E.C.-.-.-.-
Resolution
2.11(Å)
Affinity (Kd/Ki/IC50)
Kd=55nM
Release Year
2012
Protein/NA Sequence
Check fasta file
Primary Reference
(2012) Plos Pathog. Vol. 8: pp. e1002531-e1002531
Ligand Properties
Formula
C
8
1
H
1
2
4
N
2
3
O
2
7
Molecular Weight
1851.990
Exact Mass
1850.900
No. of atoms
255
No. of bonds
257
Polar Surface Area
866.29
LOGP Value
-2.10 (
Computed with XLOGP3
)
-5.61 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 22
No. of Hydrogen Bond Acceptors: 27
No. of Rotatable Bonds: 76
No. of Nitrogen and Oxygen Atoms: 50
No. of Rings: 3
Canonical SMILES
CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(=O)O)Cc1ccc(cc1)O)Cc1ccccc1)CC(=O)O)CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@H](CCC[NH+]=C(N)N)[NH3+])Cc1ccccc1)CCC[NH+]=C(N)N)CCC(=O)N)CCC(=O)N)CO)CO)C
InChI String
InChI=1S/C81H121N23O27/c1-6-40(4)63(77(128)101-56(37-106)73(124)96-53(34-60(112)113)72(123)95-50(31-42-15-9-7-10-16-42)70(121)94-51(33-44-21-23-45(109)24-22-44)71(122)98-54(79(130)131)35-61(114)115)103-75(126)57(38-107)100-74(125)55(36-105)99-67(118)48(25-27-58(83)110)93-76(127)62(39(2)3)102-68(119)49(26-28-59(84)111)92-66(117)47(20-14-30-90-81(87)88)91-69(120)52(32-43-17-11-8-12-18-43)97-78(129)64(41(5)108)104-65(116)46(82)19-13-29-89-80(85)86/h7-12,15-18,21-24,39-41,46-57,62-64,105-109H,6,13-14,19-20,25-38,82H2,1-5H3,(H2,83,110)(H2,84,111)(H,91,120)(H,92,117)(H,93,127)(H,94,121)(H,95,123)(H,96,124)(H,97,129)(H,98,122)(H,99,118)(H,100,125)(H,101,128)(H,102,119)(H,103,126)(H,104,116)(H,112,113)(H,114,115)(H,130,131)(H4,85,86,89)(H4,87,88,90)/p+3/t40-,41+,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,62-,63-,64-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q01565
Q01567
Entrez Gene ID
NCBI Entrez Gene ID:
9734624
9734629
ASD
Information of known allosteric effects of PDB entries
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