HEADER 08-JUN-21 XXXX EXPDTA THEORETICAL MODEL REMARK 220 REMARK 220 EXPERIMENTAL DETAILS REMARK 220 EXPERIMENT TYPE : THEORETICAL MODELLING REMARK 220 DATE OF DATA COLLECTION : 08-JUN-21 REMARK 220 REMARK 220 REMARK: MODEL GENERATED BY ROSETTA REMARK 220 VERSION 2020.08+release.cb1caba ATOM 1 N MET A 1 81.636 65.734 85.345 1.00 0.00 N ATOM 2 CA MET A 1 81.830 64.571 86.204 1.00 0.00 C ATOM 3 C MET A 1 80.925 64.617 87.432 1.00 0.00 C ATOM 4 O MET A 1 79.862 63.996 87.447 1.00 0.00 O ATOM 5 CB MET A 1 83.295 64.464 86.632 1.00 0.00 C ATOM 6 CG MET A 1 84.278 64.140 85.516 1.00 0.00 C ATOM 7 SD MET A 1 83.915 62.578 84.666 1.00 0.00 S ATOM 8 CE MET A 1 84.255 61.363 85.922 1.00 0.00 C ATOM 9 1H MET A 1 82.249 65.669 84.545 1.00 0.00 H ATOM 10 2H MET A 1 80.676 65.765 85.030 1.00 0.00 H ATOM 11 3H MET A 1 81.847 66.575 85.863 1.00 0.00 H ATOM 12 HA MET A 1 81.565 63.677 85.640 1.00 0.00 H ATOM 13 1HB MET A 1 83.604 65.397 87.077 1.00 0.00 H ATOM 14 2HB MET A 1 83.402 63.693 87.386 1.00 0.00 H ATOM 15 1HG MET A 1 84.260 64.940 84.777 1.00 0.00 H ATOM 16 2HG MET A 1 85.285 64.076 85.931 1.00 0.00 H ATOM 17 1HE MET A 1 84.072 60.364 85.526 1.00 0.00 H ATOM 18 2HE MET A 1 85.281 61.441 86.229 1.00 0.00 H ATOM 19 3HE MET A 1 83.616 61.537 86.761 1.00 0.00 H ATOM 20 N VAL A 2 81.349 65.386 88.432 1.00 0.00 N ATOM 21 CA VAL A 2 80.636 65.506 89.696 1.00 0.00 C ATOM 22 C VAL A 2 79.271 66.168 89.592 1.00 0.00 C ATOM 23 O VAL A 2 78.380 65.843 90.363 1.00 0.00 O ATOM 24 CB VAL A 2 81.484 66.311 90.705 1.00 0.00 C ATOM 25 CG1 VAL A 2 82.757 65.598 90.990 1.00 0.00 C ATOM 26 CG2 VAL A 2 81.756 67.704 90.167 1.00 0.00 C ATOM 27 H VAL A 2 82.208 65.903 88.314 1.00 0.00 H ATOM 28 HA VAL A 2 80.490 64.500 90.091 1.00 0.00 H ATOM 29 HB VAL A 2 80.949 66.388 91.634 1.00 0.00 H ATOM 30 1HG1 VAL A 2 83.344 66.176 91.703 1.00 0.00 H ATOM 31 2HG1 VAL A 2 82.544 64.628 91.406 1.00 0.00 H ATOM 32 3HG1 VAL A 2 83.316 65.481 90.071 1.00 0.00 H ATOM 33 1HG2 VAL A 2 82.353 68.259 90.888 1.00 0.00 H ATOM 34 2HG2 VAL A 2 82.298 67.626 89.223 1.00 0.00 H ATOM 35 3HG2 VAL A 2 80.825 68.232 89.997 1.00 0.00 H ATOM 36 N ALA A 3 79.031 66.982 88.571 1.00 0.00 N ATOM 37 CA ALA A 3 77.723 67.616 88.474 1.00 0.00 C ATOM 38 C ALA A 3 76.650 66.535 88.422 1.00 0.00 C ATOM 39 O ALA A 3 75.710 66.537 89.219 1.00 0.00 O ATOM 40 CB ALA A 3 77.660 68.491 87.236 1.00 0.00 C ATOM 41 H ALA A 3 79.764 67.214 87.916 1.00 0.00 H ATOM 42 HA ALA A 3 77.547 68.248 89.344 1.00 0.00 H ATOM 43 1HB ALA A 3 76.658 68.909 87.137 1.00 0.00 H ATOM 44 2HB ALA A 3 78.384 69.300 87.326 1.00 0.00 H ATOM 45 3HB ALA A 3 77.892 67.892 86.356 1.00 0.00 H ATOM 46 N TYR A 4 76.859 65.560 87.546 1.00 0.00 N ATOM 47 CA TYR A 4 75.935 64.455 87.378 1.00 0.00 C ATOM 48 C TYR A 4 75.829 63.561 88.595 1.00 0.00 C ATOM 49 O TYR A 4 74.746 63.410 89.159 1.00 0.00 O ATOM 50 CB TYR A 4 76.313 63.602 86.174 1.00 0.00 C ATOM 51 CG TYR A 4 75.438 62.375 86.051 1.00 0.00 C ATOM 52 CD1 TYR A 4 74.154 62.480 85.546 1.00 0.00 C ATOM 53 CD2 TYR A 4 75.926 61.147 86.445 1.00 0.00 C ATOM 54 CE1 TYR A 4 73.364 61.352 85.438 1.00 0.00 C ATOM 55 CE2 TYR A 4 75.141 60.021 86.339 1.00 0.00 C ATOM 56 CZ TYR A 4 73.865 60.118 85.838 1.00 0.00 C ATOM 57 OH TYR A 4 73.079 58.994 85.731 1.00 0.00 O ATOM 58 H TYR A 4 77.644 65.635 86.915 1.00 0.00 H ATOM 59 HA TYR A 4 74.947 64.871 87.178 1.00 0.00 H ATOM 60 1HB TYR A 4 76.225 64.191 85.260 1.00 0.00 H ATOM 61 2HB TYR A 4 77.354 63.287 86.255 1.00 0.00 H ATOM 62 HD1 TYR A 4 73.767 63.450 85.234 1.00 0.00 H ATOM 63 HD2 TYR A 4 76.930 61.076 86.839 1.00 0.00 H ATOM 64 HE1 TYR A 4 72.352 61.430 85.041 1.00 0.00 H ATOM 65 HE2 TYR A 4 75.528 59.058 86.650 1.00 0.00 H ATOM 66 HH TYR A 4 73.570 58.231 86.047 1.00 0.00 H ATOM 67 N TRP A 5 76.983 63.141 89.105 1.00 0.00 N ATOM 68 CA TRP A 5 76.995 62.152 90.169 1.00 0.00 C ATOM 69 C TRP A 5 76.510 62.709 91.512 1.00 0.00 C ATOM 70 O TRP A 5 75.946 61.972 92.330 1.00 0.00 O ATOM 71 CB TRP A 5 78.400 61.602 90.323 1.00 0.00 C ATOM 72 CG TRP A 5 78.768 60.707 89.138 1.00 0.00 C ATOM 73 CD1 TRP A 5 79.729 60.922 88.203 1.00 0.00 C ATOM 74 CD2 TRP A 5 78.155 59.440 88.780 1.00 0.00 C ATOM 75 NE1 TRP A 5 79.756 59.894 87.301 1.00 0.00 N ATOM 76 CE2 TRP A 5 78.805 58.981 87.638 1.00 0.00 C ATOM 77 CE3 TRP A 5 77.126 58.673 89.329 1.00 0.00 C ATOM 78 CZ2 TRP A 5 78.460 57.791 87.031 1.00 0.00 C ATOM 79 CZ3 TRP A 5 76.782 57.482 88.724 1.00 0.00 C ATOM 80 CH2 TRP A 5 77.432 57.051 87.604 1.00 0.00 C ATOM 81 H TRP A 5 77.838 63.301 88.582 1.00 0.00 H ATOM 82 HA TRP A 5 76.336 61.347 89.873 1.00 0.00 H ATOM 83 1HB TRP A 5 79.112 62.425 90.394 1.00 0.00 H ATOM 84 2HB TRP A 5 78.470 61.035 91.241 1.00 0.00 H ATOM 85 HD1 TRP A 5 80.379 61.774 88.168 1.00 0.00 H ATOM 86 HE1 TRP A 5 80.381 59.823 86.510 1.00 0.00 H ATOM 87 HE3 TRP A 5 76.610 59.000 90.211 1.00 0.00 H ATOM 88 HZ2 TRP A 5 78.967 57.429 86.136 1.00 0.00 H ATOM 89 HZ3 TRP A 5 75.976 56.894 89.163 1.00 0.00 H ATOM 90 HH2 TRP A 5 77.136 56.105 87.150 1.00 0.00 H ATOM 91 N ARG A 6 76.668 64.016 91.726 1.00 0.00 N ATOM 92 CA ARG A 6 76.256 64.623 92.990 1.00 0.00 C ATOM 93 C ARG A 6 74.739 64.637 93.104 1.00 0.00 C ATOM 94 O ARG A 6 74.150 63.917 93.912 1.00 0.00 O ATOM 95 CB ARG A 6 76.763 66.054 93.129 1.00 0.00 C ATOM 96 CG ARG A 6 78.250 66.211 93.426 1.00 0.00 C ATOM 97 CD ARG A 6 78.657 67.643 93.420 1.00 0.00 C ATOM 98 NE ARG A 6 80.063 67.806 93.734 1.00 0.00 N ATOM 99 CZ ARG A 6 80.741 68.963 93.660 1.00 0.00 C ATOM 100 NH1 ARG A 6 80.129 70.062 93.279 1.00 0.00 N ATOM 101 NH2 ARG A 6 82.024 68.994 93.971 1.00 0.00 N ATOM 102 H ARG A 6 77.298 64.532 91.132 1.00 0.00 H ATOM 103 HA ARG A 6 76.673 64.033 93.806 1.00 0.00 H ATOM 104 1HB ARG A 6 76.558 66.598 92.206 1.00 0.00 H ATOM 105 2HB ARG A 6 76.221 66.552 93.933 1.00 0.00 H ATOM 106 1HG ARG A 6 78.470 65.793 94.407 1.00 0.00 H ATOM 107 2HG ARG A 6 78.835 65.697 92.687 1.00 0.00 H ATOM 108 1HD ARG A 6 78.475 68.066 92.431 1.00 0.00 H ATOM 109 2HD ARG A 6 78.078 68.189 94.162 1.00 0.00 H ATOM 110 HE ARG A 6 80.570 66.988 94.030 1.00 0.00 H ATOM 111 1HH1 ARG A 6 79.147 70.037 93.041 1.00 0.00 H ATOM 112 2HH1 ARG A 6 80.639 70.931 93.224 1.00 0.00 H ATOM 113 1HH2 ARG A 6 82.493 68.147 94.264 1.00 0.00 H ATOM 114 2HH2 ARG A 6 82.536 69.862 93.916 1.00 0.00 H ATOM 115 N GLN A 7 74.147 64.732 91.912 1.00 0.00 N ATOM 116 CA GLN A 7 72.695 64.711 91.831 1.00 0.00 C ATOM 117 C GLN A 7 72.188 63.279 91.745 1.00 0.00 C ATOM 118 O GLN A 7 71.067 62.985 92.162 1.00 0.00 O ATOM 119 CB GLN A 7 72.225 65.509 90.618 1.00 0.00 C ATOM 120 CG GLN A 7 72.612 66.974 90.671 1.00 0.00 C ATOM 121 CD GLN A 7 72.033 67.680 91.881 1.00 0.00 C ATOM 122 OE1 GLN A 7 70.816 67.702 92.081 1.00 0.00 O ATOM 123 NE2 GLN A 7 72.904 68.264 92.698 1.00 0.00 N ATOM 124 H GLN A 7 74.651 65.193 91.159 1.00 0.00 H ATOM 125 HA GLN A 7 72.287 65.177 92.728 1.00 0.00 H ATOM 126 1HB GLN A 7 72.648 65.076 89.710 1.00 0.00 H ATOM 127 2HB GLN A 7 71.141 65.444 90.536 1.00 0.00 H ATOM 128 1HG GLN A 7 73.696 67.050 90.717 1.00 0.00 H ATOM 129 2HG GLN A 7 72.241 67.470 89.775 1.00 0.00 H ATOM 130 1HE2 GLN A 7 72.580 68.746 93.513 1.00 0.00 H ATOM 131 2HE2 GLN A 7 73.883 68.222 92.498 1.00 0.00 H ATOM 132 N ALA A 8 73.078 62.366 91.361 1.00 0.00 N ATOM 133 CA ALA A 8 72.715 60.969 91.191 1.00 0.00 C ATOM 134 C ALA A 8 72.671 60.246 92.534 1.00 0.00 C ATOM 135 O ALA A 8 72.100 59.160 92.639 1.00 0.00 O ATOM 136 CB ALA A 8 73.666 60.277 90.226 1.00 0.00 C ATOM 137 H ALA A 8 73.931 62.688 90.923 1.00 0.00 H ATOM 138 HA ALA A 8 71.708 60.945 90.777 1.00 0.00 H ATOM 139 1HB ALA A 8 73.339 59.253 90.059 1.00 0.00 H ATOM 140 2HB ALA A 8 73.677 60.811 89.275 1.00 0.00 H ATOM 141 3HB ALA A 8 74.652 60.276 90.652 1.00 0.00 H ATOM 142 N GLY A 9 73.253 60.862 93.571 1.00 0.00 N ATOM 143 CA GLY A 9 73.318 60.239 94.887 1.00 0.00 C ATOM 144 C GLY A 9 74.449 59.218 94.983 1.00 0.00 C ATOM 145 O GLY A 9 74.401 58.321 95.826 1.00 0.00 O ATOM 146 H GLY A 9 73.702 61.760 93.441 1.00 0.00 H ATOM 147 1HA GLY A 9 73.463 61.012 95.642 1.00 0.00 H ATOM 148 2HA GLY A 9 72.370 59.748 95.101 1.00 0.00 H ATOM 149 N LEU A 10 75.513 59.427 94.212 1.00 0.00 N ATOM 150 CA LEU A 10 76.634 58.494 94.191 1.00 0.00 C ATOM 151 C LEU A 10 77.365 58.343 95.523 1.00 0.00 C ATOM 152 O LEU A 10 77.723 59.328 96.169 1.00 0.00 O ATOM 153 CB LEU A 10 77.660 58.908 93.136 1.00 0.00 C ATOM 154 CG LEU A 10 78.835 57.924 92.945 1.00 0.00 C ATOM 155 CD1 LEU A 10 78.295 56.618 92.393 1.00 0.00 C ATOM 156 CD2 LEU A 10 79.860 58.519 92.024 1.00 0.00 C ATOM 157 H LEU A 10 75.495 60.162 93.510 1.00 0.00 H ATOM 158 HA LEU A 10 76.241 57.509 93.943 1.00 0.00 H ATOM 159 1HB LEU A 10 77.155 59.010 92.206 1.00 0.00 H ATOM 160 2HB LEU A 10 78.075 59.878 93.412 1.00 0.00 H ATOM 161 HG LEU A 10 79.295 57.718 93.887 1.00 0.00 H ATOM 162 1HD1 LEU A 10 79.106 55.917 92.254 1.00 0.00 H ATOM 163 2HD1 LEU A 10 77.574 56.198 93.092 1.00 0.00 H ATOM 164 3HD1 LEU A 10 77.811 56.797 91.441 1.00 0.00 H ATOM 165 1HD2 LEU A 10 80.678 57.829 91.893 1.00 0.00 H ATOM 166 2HD2 LEU A 10 79.419 58.720 91.076 1.00 0.00 H ATOM 167 3HD2 LEU A 10 80.232 59.437 92.442 1.00 0.00 H ATOM 168 N SER A 11 77.581 57.090 95.922 1.00 0.00 N ATOM 169 CA SER A 11 78.322 56.751 97.131 1.00 0.00 C ATOM 170 C SER A 11 79.769 57.180 97.005 1.00 0.00 C ATOM 171 O SER A 11 80.352 57.056 95.928 1.00 0.00 O ATOM 172 CB SER A 11 78.259 55.267 97.403 1.00 0.00 C ATOM 173 OG SER A 11 79.079 54.935 98.488 1.00 0.00 O ATOM 174 H SER A 11 77.229 56.339 95.344 1.00 0.00 H ATOM 175 HA SER A 11 77.851 57.253 97.978 1.00 0.00 H ATOM 176 1HB SER A 11 77.230 54.978 97.614 1.00 0.00 H ATOM 177 2HB SER A 11 78.575 54.720 96.516 1.00 0.00 H ATOM 178 HG SER A 11 78.995 53.986 98.602 1.00 0.00 H ATOM 179 N TYR A 12 80.364 57.620 98.115 1.00 0.00 N ATOM 180 CA TYR A 12 81.758 58.052 98.096 1.00 0.00 C ATOM 181 C TYR A 12 82.768 56.934 97.874 1.00 0.00 C ATOM 182 O TYR A 12 83.957 57.198 97.676 1.00 0.00 O ATOM 183 CB TYR A 12 82.094 58.773 99.392 1.00 0.00 C ATOM 184 CG TYR A 12 81.449 60.135 99.433 1.00 0.00 C ATOM 185 CD1 TYR A 12 80.249 60.322 100.095 1.00 0.00 C ATOM 186 CD2 TYR A 12 82.069 61.204 98.800 1.00 0.00 C ATOM 187 CE1 TYR A 12 79.670 61.576 100.125 1.00 0.00 C ATOM 188 CE2 TYR A 12 81.492 62.456 98.829 1.00 0.00 C ATOM 189 CZ TYR A 12 80.297 62.645 99.487 1.00 0.00 C ATOM 190 OH TYR A 12 79.719 63.893 99.518 1.00 0.00 O ATOM 191 H TYR A 12 79.834 57.685 98.972 1.00 0.00 H ATOM 192 HA TYR A 12 81.869 58.720 97.271 1.00 0.00 H ATOM 193 1HB TYR A 12 81.755 58.183 100.244 1.00 0.00 H ATOM 194 2HB TYR A 12 83.174 58.880 99.486 1.00 0.00 H ATOM 195 HD1 TYR A 12 79.762 59.481 100.592 1.00 0.00 H ATOM 196 HD2 TYR A 12 83.015 61.053 98.279 1.00 0.00 H ATOM 197 HE1 TYR A 12 78.724 61.727 100.645 1.00 0.00 H ATOM 198 HE2 TYR A 12 81.981 63.293 98.330 1.00 0.00 H ATOM 199 HH TYR A 12 80.272 64.513 99.036 1.00 0.00 H ATOM 200 N ILE A 13 82.266 55.716 97.705 1.00 0.00 N ATOM 201 CA ILE A 13 83.095 54.588 97.339 1.00 0.00 C ATOM 202 C ILE A 13 83.731 54.870 95.986 1.00 0.00 C ATOM 203 O ILE A 13 84.890 54.534 95.745 1.00 0.00 O ATOM 204 CB ILE A 13 82.256 53.303 97.276 1.00 0.00 C ATOM 205 CG1 ILE A 13 81.804 52.920 98.682 1.00 0.00 C ATOM 206 CG2 ILE A 13 83.056 52.183 96.633 1.00 0.00 C ATOM 207 CD1 ILE A 13 80.748 51.842 98.705 1.00 0.00 C ATOM 208 H ILE A 13 81.286 55.551 97.911 1.00 0.00 H ATOM 209 HA ILE A 13 83.850 54.438 98.108 1.00 0.00 H ATOM 210 HB ILE A 13 81.356 53.485 96.685 1.00 0.00 H ATOM 211 1HG1 ILE A 13 82.669 52.576 99.247 1.00 0.00 H ATOM 212 2HG1 ILE A 13 81.408 53.808 99.177 1.00 0.00 H ATOM 213 1HG2 ILE A 13 82.450 51.278 96.595 1.00 0.00 H ATOM 214 2HG2 ILE A 13 83.338 52.473 95.621 1.00 0.00 H ATOM 215 3HG2 ILE A 13 83.955 51.994 97.220 1.00 0.00 H ATOM 216 1HD1 ILE A 13 80.474 51.622 99.737 1.00 0.00 H ATOM 217 2HD1 ILE A 13 79.866 52.185 98.161 1.00 0.00 H ATOM 218 3HD1 ILE A 13 81.136 50.941 98.234 1.00 0.00 H ATOM 219 N ARG A 14 82.930 55.461 95.101 1.00 0.00 N ATOM 220 CA ARG A 14 83.323 55.794 93.744 1.00 0.00 C ATOM 221 C ARG A 14 83.556 57.286 93.557 1.00 0.00 C ATOM 222 O ARG A 14 84.547 57.674 92.949 1.00 0.00 O ATOM 223 CB ARG A 14 82.274 55.344 92.748 1.00 0.00 C ATOM 224 CG ARG A 14 82.631 55.655 91.298 1.00 0.00 C ATOM 225 CD ARG A 14 81.620 55.142 90.345 1.00 0.00 C ATOM 226 NE ARG A 14 81.944 55.498 88.979 1.00 0.00 N ATOM 227 CZ ARG A 14 81.183 55.204 87.913 1.00 0.00 C ATOM 228 NH1 ARG A 14 80.055 54.548 88.071 1.00 0.00 N ATOM 229 NH2 ARG A 14 81.569 55.575 86.704 1.00 0.00 N ATOM 230 H ARG A 14 81.983 55.680 95.385 1.00 0.00 H ATOM 231 HA ARG A 14 84.257 55.277 93.522 1.00 0.00 H ATOM 232 1HB ARG A 14 82.121 54.270 92.836 1.00 0.00 H ATOM 233 2HB ARG A 14 81.334 55.829 92.981 1.00 0.00 H ATOM 234 1HG ARG A 14 82.701 56.731 91.166 1.00 0.00 H ATOM 235 2HG ARG A 14 83.589 55.194 91.053 1.00 0.00 H ATOM 236 1HD ARG A 14 81.572 54.057 90.414 1.00 0.00 H ATOM 237 2HD ARG A 14 80.648 55.559 90.581 1.00 0.00 H ATOM 238 HE ARG A 14 82.805 56.003 88.817 1.00 0.00 H ATOM 239 1HH1 ARG A 14 79.760 54.267 88.995 1.00 0.00 H ATOM 240 2HH1 ARG A 14 79.482 54.328 87.269 1.00 0.00 H ATOM 241 1HH2 ARG A 14 82.437 56.079 86.583 1.00 0.00 H ATOM 242 2HH2 ARG A 14 80.997 55.355 85.903 1.00 0.00 H ATOM 243 N PHE A 15 82.811 58.110 94.304 1.00 0.00 N ATOM 244 CA PHE A 15 82.866 59.560 94.114 1.00 0.00 C ATOM 245 C PHE A 15 84.281 60.104 94.248 1.00 0.00 C ATOM 246 O PHE A 15 84.664 61.010 93.513 1.00 0.00 O ATOM 247 CB PHE A 15 81.989 60.329 95.081 1.00 0.00 C ATOM 248 CG PHE A 15 81.859 61.758 94.722 1.00 0.00 C ATOM 249 CD1 PHE A 15 80.917 62.169 93.783 1.00 0.00 C ATOM 250 CD2 PHE A 15 82.666 62.710 95.309 1.00 0.00 C ATOM 251 CE1 PHE A 15 80.793 63.488 93.449 1.00 0.00 C ATOM 252 CE2 PHE A 15 82.542 64.035 94.976 1.00 0.00 C ATOM 253 CZ PHE A 15 81.608 64.424 94.046 1.00 0.00 C ATOM 254 H PHE A 15 82.004 57.727 94.780 1.00 0.00 H ATOM 255 HA PHE A 15 82.525 59.776 93.108 1.00 0.00 H ATOM 256 1HB PHE A 15 80.992 59.882 95.104 1.00 0.00 H ATOM 257 2HB PHE A 15 82.390 60.263 96.058 1.00 0.00 H ATOM 258 HD1 PHE A 15 80.273 61.437 93.311 1.00 0.00 H ATOM 259 HD2 PHE A 15 83.407 62.396 96.046 1.00 0.00 H ATOM 260 HE1 PHE A 15 80.051 63.792 92.712 1.00 0.00 H ATOM 261 HE2 PHE A 15 83.186 64.778 95.447 1.00 0.00 H ATOM 262 HZ PHE A 15 81.516 65.469 93.786 1.00 0.00 H ATOM 263 N SER A 16 85.070 59.564 95.185 1.00 0.00 N ATOM 264 CA SER A 16 86.464 59.997 95.308 1.00 0.00 C ATOM 265 C SER A 16 87.184 60.042 93.950 1.00 0.00 C ATOM 266 O SER A 16 87.882 61.010 93.652 1.00 0.00 O ATOM 267 CB SER A 16 87.208 59.057 96.231 1.00 0.00 C ATOM 268 OG SER A 16 86.722 59.147 97.542 1.00 0.00 O ATOM 269 H SER A 16 84.741 58.776 95.736 1.00 0.00 H ATOM 270 HA SER A 16 86.470 60.986 95.767 1.00 0.00 H ATOM 271 1HB SER A 16 87.099 58.034 95.868 1.00 0.00 H ATOM 272 2HB SER A 16 88.269 59.300 96.217 1.00 0.00 H ATOM 273 HG SER A 16 85.792 58.911 97.497 1.00 0.00 H ATOM 274 N GLN A 17 86.863 59.090 93.070 1.00 0.00 N ATOM 275 CA GLN A 17 87.518 58.988 91.776 1.00 0.00 C ATOM 276 C GLN A 17 86.893 59.983 90.816 1.00 0.00 C ATOM 277 O GLN A 17 87.585 60.593 90.009 1.00 0.00 O ATOM 278 CB GLN A 17 87.400 57.573 91.212 1.00 0.00 C ATOM 279 CG GLN A 17 88.119 56.519 92.024 1.00 0.00 C ATOM 280 CD GLN A 17 87.952 55.139 91.438 1.00 0.00 C ATOM 281 OE1 GLN A 17 86.949 54.844 90.785 1.00 0.00 O ATOM 282 NE2 GLN A 17 88.936 54.279 91.668 1.00 0.00 N ATOM 283 H GLN A 17 86.378 58.274 93.411 1.00 0.00 H ATOM 284 HA GLN A 17 88.566 59.259 91.888 1.00 0.00 H ATOM 285 1HB GLN A 17 86.350 57.290 91.151 1.00 0.00 H ATOM 286 2HB GLN A 17 87.804 57.553 90.199 1.00 0.00 H ATOM 287 1HG GLN A 17 89.180 56.749 92.054 1.00 0.00 H ATOM 288 2HG GLN A 17 87.708 56.519 93.036 1.00 0.00 H ATOM 289 1HE2 GLN A 17 88.882 53.348 91.304 1.00 0.00 H ATOM 290 2HE2 GLN A 17 89.732 54.561 92.203 1.00 0.00 H ATOM 291 N ILE A 18 85.637 60.321 91.089 1.00 0.00 N ATOM 292 CA ILE A 18 84.879 61.192 90.203 1.00 0.00 C ATOM 293 C ILE A 18 85.364 62.617 90.313 1.00 0.00 C ATOM 294 O ILE A 18 85.745 63.227 89.316 1.00 0.00 O ATOM 295 CB ILE A 18 83.383 61.131 90.536 1.00 0.00 C ATOM 296 CG1 ILE A 18 82.881 59.715 90.313 1.00 0.00 C ATOM 297 CG2 ILE A 18 82.616 62.091 89.728 1.00 0.00 C ATOM 298 CD1 ILE A 18 83.072 59.213 88.915 1.00 0.00 C ATOM 299 H ILE A 18 85.117 59.682 91.682 1.00 0.00 H ATOM 300 HA ILE A 18 84.999 60.839 89.179 1.00 0.00 H ATOM 301 HB ILE A 18 83.230 61.365 91.576 1.00 0.00 H ATOM 302 1HG1 ILE A 18 83.404 59.052 90.995 1.00 0.00 H ATOM 303 2HG1 ILE A 18 81.831 59.682 90.549 1.00 0.00 H ATOM 304 1HG2 ILE A 18 81.573 62.009 89.997 1.00 0.00 H ATOM 305 2HG2 ILE A 18 82.963 63.077 89.920 1.00 0.00 H ATOM 306 3HG2 ILE A 18 82.739 61.870 88.691 1.00 0.00 H ATOM 307 1HD1 ILE A 18 82.690 58.199 88.839 1.00 0.00 H ATOM 308 2HD1 ILE A 18 82.537 59.853 88.221 1.00 0.00 H ATOM 309 3HD1 ILE A 18 84.134 59.219 88.668 1.00 0.00 H ATOM 310 N CYS A 19 85.576 63.050 91.552 1.00 0.00 N ATOM 311 CA CYS A 19 86.043 64.398 91.799 1.00 0.00 C ATOM 312 C CYS A 19 87.515 64.511 91.451 1.00 0.00 C ATOM 313 O CYS A 19 87.956 65.558 90.985 1.00 0.00 O ATOM 314 CB CYS A 19 85.840 64.778 93.258 1.00 0.00 C ATOM 315 SG CYS A 19 86.828 63.836 94.426 1.00 0.00 S ATOM 316 H CYS A 19 85.209 62.506 92.321 1.00 0.00 H ATOM 317 HA CYS A 19 85.479 65.082 91.176 1.00 0.00 H ATOM 318 1HB CYS A 19 86.081 65.832 93.394 1.00 0.00 H ATOM 319 2HB CYS A 19 84.801 64.641 93.512 1.00 0.00 H ATOM 320 HG CYS A 19 86.336 62.640 94.098 1.00 0.00 H ATOM 321 N ALA A 20 88.221 63.379 91.473 1.00 0.00 N ATOM 322 CA ALA A 20 89.635 63.408 91.159 1.00 0.00 C ATOM 323 C ALA A 20 89.779 63.732 89.684 1.00 0.00 C ATOM 324 O ALA A 20 90.599 64.565 89.298 1.00 0.00 O ATOM 325 CB ALA A 20 90.290 62.086 91.514 1.00 0.00 C ATOM 326 H ALA A 20 87.871 62.590 92.002 1.00 0.00 H ATOM 327 HA ALA A 20 90.114 64.194 91.745 1.00 0.00 H ATOM 328 1HB ALA A 20 91.350 62.124 91.265 1.00 0.00 H ATOM 329 2HB ALA A 20 90.176 61.898 92.581 1.00 0.00 H ATOM 330 3HB ALA A 20 89.818 61.291 90.957 1.00 0.00 H ATOM 331 N LYS A 21 88.854 63.173 88.899 1.00 0.00 N ATOM 332 CA LYS A 21 88.849 63.314 87.456 1.00 0.00 C ATOM 333 C LYS A 21 88.274 64.663 87.057 1.00 0.00 C ATOM 334 O LYS A 21 88.730 65.279 86.094 1.00 0.00 O ATOM 335 CB LYS A 21 88.048 62.179 86.832 1.00 0.00 C ATOM 336 CG LYS A 21 88.705 60.805 86.941 1.00 0.00 C ATOM 337 CD LYS A 21 87.810 59.725 86.349 1.00 0.00 C ATOM 338 CE LYS A 21 88.447 58.349 86.464 1.00 0.00 C ATOM 339 NZ LYS A 21 87.578 57.277 85.881 1.00 0.00 N ATOM 340 H LYS A 21 88.315 62.411 89.287 1.00 0.00 H ATOM 341 HA LYS A 21 89.874 63.228 87.094 1.00 0.00 H ATOM 342 1HB LYS A 21 87.080 62.131 87.314 1.00 0.00 H ATOM 343 2HB LYS A 21 87.885 62.388 85.774 1.00 0.00 H ATOM 344 1HG LYS A 21 89.655 60.813 86.407 1.00 0.00 H ATOM 345 2HG LYS A 21 88.901 60.566 87.975 1.00 0.00 H ATOM 346 1HD LYS A 21 86.854 59.721 86.876 1.00 0.00 H ATOM 347 2HD LYS A 21 87.626 59.943 85.296 1.00 0.00 H ATOM 348 1HE LYS A 21 89.404 58.355 85.941 1.00 0.00 H ATOM 349 2HE LYS A 21 88.626 58.129 87.517 1.00 0.00 H ATOM 350 1HZ LYS A 21 88.036 56.382 85.977 1.00 0.00 H ATOM 351 2HZ LYS A 21 86.693 57.257 86.369 1.00 0.00 H ATOM 352 3HZ LYS A 21 87.418 57.468 84.903 1.00 0.00 H ATOM 353 N ALA A 22 87.428 65.221 87.928 1.00 0.00 N ATOM 354 CA ALA A 22 86.815 66.510 87.657 1.00 0.00 C ATOM 355 C ALA A 22 87.924 67.544 87.626 1.00 0.00 C ATOM 356 O ALA A 22 88.035 68.327 86.681 1.00 0.00 O ATOM 357 CB ALA A 22 85.770 66.844 88.709 1.00 0.00 C ATOM 358 H ALA A 22 87.032 64.643 88.655 1.00 0.00 H ATOM 359 HA ALA A 22 86.315 66.482 86.687 1.00 0.00 H ATOM 360 1HB ALA A 22 85.352 67.828 88.509 1.00 0.00 H ATOM 361 2HB ALA A 22 84.985 66.106 88.678 1.00 0.00 H ATOM 362 3HB ALA A 22 86.225 66.843 89.690 1.00 0.00 H ATOM 363 N VAL A 23 88.872 67.364 88.546 1.00 0.00 N ATOM 364 CA VAL A 23 89.981 68.285 88.671 1.00 0.00 C ATOM 365 C VAL A 23 90.941 68.063 87.531 1.00 0.00 C ATOM 366 O VAL A 23 91.366 69.020 86.903 1.00 0.00 O ATOM 367 CB VAL A 23 90.721 68.091 89.998 1.00 0.00 C ATOM 368 CG1 VAL A 23 91.980 68.953 90.004 1.00 0.00 C ATOM 369 CG2 VAL A 23 89.789 68.444 91.138 1.00 0.00 C ATOM 370 H VAL A 23 88.649 66.781 89.342 1.00 0.00 H ATOM 371 HA VAL A 23 89.597 69.304 88.646 1.00 0.00 H ATOM 372 HB VAL A 23 91.039 67.053 90.094 1.00 0.00 H ATOM 373 1HG1 VAL A 23 92.511 68.819 90.946 1.00 0.00 H ATOM 374 2HG1 VAL A 23 92.628 68.658 89.178 1.00 0.00 H ATOM 375 3HG1 VAL A 23 91.705 70.002 89.892 1.00 0.00 H ATOM 376 1HG2 VAL A 23 90.308 68.309 92.086 1.00 0.00 H ATOM 377 2HG2 VAL A 23 89.475 69.483 91.041 1.00 0.00 H ATOM 378 3HG2 VAL A 23 88.919 67.803 91.112 1.00 0.00 H ATOM 379 N ARG A 24 91.224 66.794 87.225 1.00 0.00 N ATOM 380 CA ARG A 24 92.164 66.457 86.166 1.00 0.00 C ATOM 381 C ARG A 24 91.823 67.230 84.899 1.00 0.00 C ATOM 382 O ARG A 24 92.680 67.883 84.314 1.00 0.00 O ATOM 383 CB ARG A 24 92.134 64.969 85.872 1.00 0.00 C ATOM 384 CG ARG A 24 93.100 64.519 84.812 1.00 0.00 C ATOM 385 CD ARG A 24 92.956 63.087 84.516 1.00 0.00 C ATOM 386 NE ARG A 24 91.677 62.795 83.891 1.00 0.00 N ATOM 387 CZ ARG A 24 91.158 61.566 83.749 1.00 0.00 C ATOM 388 NH1 ARG A 24 91.819 60.522 84.192 1.00 0.00 N ATOM 389 NH2 ARG A 24 89.985 61.405 83.166 1.00 0.00 N ATOM 390 H ARG A 24 90.919 66.061 87.852 1.00 0.00 H ATOM 391 HA ARG A 24 93.166 66.706 86.502 1.00 0.00 H ATOM 392 1HB ARG A 24 92.359 64.414 86.782 1.00 0.00 H ATOM 393 2HB ARG A 24 91.140 64.679 85.552 1.00 0.00 H ATOM 394 1HG ARG A 24 92.917 65.080 83.896 1.00 0.00 H ATOM 395 2HG ARG A 24 94.111 64.693 85.142 1.00 0.00 H ATOM 396 1HD ARG A 24 93.740 62.779 83.845 1.00 0.00 H ATOM 397 2HD ARG A 24 93.025 62.514 85.440 1.00 0.00 H ATOM 398 HE ARG A 24 91.138 63.576 83.538 1.00 0.00 H ATOM 399 1HH1 ARG A 24 92.718 60.645 84.639 1.00 0.00 H ATOM 400 2HH1 ARG A 24 91.431 59.596 84.086 1.00 0.00 H ATOM 401 1HH2 ARG A 24 89.475 62.209 82.825 1.00 0.00 H ATOM 402 2HH2 ARG A 24 89.597 60.479 83.060 1.00 0.00 H ATOM 403 N ASP A 25 90.528 67.274 84.574 1.00 0.00 N ATOM 404 CA ASP A 25 90.059 67.952 83.372 1.00 0.00 C ATOM 405 C ASP A 25 90.267 69.461 83.498 1.00 0.00 C ATOM 406 O ASP A 25 90.674 70.120 82.541 1.00 0.00 O ATOM 407 CB ASP A 25 88.575 67.659 83.126 1.00 0.00 C ATOM 408 CG ASP A 25 88.305 66.229 82.653 1.00 0.00 C ATOM 409 OD1 ASP A 25 89.238 65.549 82.302 1.00 0.00 O ATOM 410 OD2 ASP A 25 87.162 65.836 82.649 1.00 0.00 O ATOM 411 H ASP A 25 89.900 66.631 85.040 1.00 0.00 H ATOM 412 HA ASP A 25 90.644 67.600 82.522 1.00 0.00 H ATOM 413 1HB ASP A 25 88.016 67.828 84.046 1.00 0.00 H ATOM 414 2HB ASP A 25 88.191 68.348 82.375 1.00 0.00 H ATOM 415 N ALA A 26 90.126 69.972 84.724 1.00 0.00 N ATOM 416 CA ALA A 26 90.211 71.406 84.992 1.00 0.00 C ATOM 417 C ALA A 26 91.654 71.911 84.891 1.00 0.00 C ATOM 418 O ALA A 26 91.881 73.082 84.581 1.00 0.00 O ATOM 419 CB ALA A 26 89.632 71.715 86.366 1.00 0.00 C ATOM 420 H ALA A 26 89.666 69.397 85.421 1.00 0.00 H ATOM 421 HA ALA A 26 89.629 71.931 84.236 1.00 0.00 H ATOM 422 1HB ALA A 26 89.689 72.786 86.551 1.00 0.00 H ATOM 423 2HB ALA A 26 88.591 71.394 86.398 1.00 0.00 H ATOM 424 3HB ALA A 26 90.190 71.191 87.131 1.00 0.00 H ATOM 425 N LEU A 27 92.614 70.998 84.998 1.00 0.00 N ATOM 426 CA LEU A 27 94.029 71.357 85.017 1.00 0.00 C ATOM 427 C LEU A 27 94.540 71.860 83.671 1.00 0.00 C ATOM 428 O LEU A 27 94.005 71.513 82.617 1.00 0.00 O ATOM 429 CB LEU A 27 94.878 70.163 85.449 1.00 0.00 C ATOM 430 CG LEU A 27 94.677 69.662 86.852 1.00 0.00 C ATOM 431 CD1 LEU A 27 95.523 68.438 87.060 1.00 0.00 C ATOM 432 CD2 LEU A 27 95.042 70.760 87.824 1.00 0.00 C ATOM 433 H LEU A 27 92.349 70.090 85.357 1.00 0.00 H ATOM 434 HA LEU A 27 94.160 72.178 85.721 1.00 0.00 H ATOM 435 1HB LEU A 27 94.675 69.336 84.783 1.00 0.00 H ATOM 436 2HB LEU A 27 95.902 70.424 85.354 1.00 0.00 H ATOM 437 HG LEU A 27 93.663 69.385 86.998 1.00 0.00 H ATOM 438 1HD1 LEU A 27 95.384 68.068 88.075 1.00 0.00 H ATOM 439 2HD1 LEU A 27 95.224 67.673 86.350 1.00 0.00 H ATOM 440 3HD1 LEU A 27 96.567 68.684 86.908 1.00 0.00 H ATOM 441 1HD2 LEU A 27 94.898 70.404 88.844 1.00 0.00 H ATOM 442 2HD2 LEU A 27 96.083 71.043 87.682 1.00 0.00 H ATOM 443 3HD2 LEU A 27 94.404 71.627 87.646 1.00 0.00 H ATOM 444 N LYS A 28 95.615 72.649 83.722 1.00 0.00 N ATOM 445 CA LYS A 28 96.288 73.147 82.527 1.00 0.00 C ATOM 446 C LYS A 28 96.863 72.001 81.720 1.00 0.00 C ATOM 447 O LYS A 28 96.906 70.876 82.199 1.00 0.00 O ATOM 448 CB LYS A 28 97.403 74.125 82.894 1.00 0.00 C ATOM 449 CG LYS A 28 96.940 75.411 83.546 1.00 0.00 C ATOM 450 CD LYS A 28 98.122 76.335 83.809 1.00 0.00 C ATOM 451 CE LYS A 28 97.687 77.621 84.486 1.00 0.00 C ATOM 452 NZ LYS A 28 98.839 78.531 84.736 1.00 0.00 N ATOM 453 H LYS A 28 95.984 72.899 84.628 1.00 0.00 H ATOM 454 HA LYS A 28 95.570 73.718 81.938 1.00 0.00 H ATOM 455 1HB LYS A 28 98.095 73.639 83.578 1.00 0.00 H ATOM 456 2HB LYS A 28 97.962 74.395 81.998 1.00 0.00 H ATOM 457 1HG LYS A 28 96.228 75.914 82.892 1.00 0.00 H ATOM 458 2HG LYS A 28 96.443 75.181 84.489 1.00 0.00 H ATOM 459 1HD LYS A 28 98.845 75.832 84.446 1.00 0.00 H ATOM 460 2HD LYS A 28 98.606 76.581 82.865 1.00 0.00 H ATOM 461 1HE LYS A 28 96.962 78.129 83.852 1.00 0.00 H ATOM 462 2HE LYS A 28 97.211 77.379 85.437 1.00 0.00 H ATOM 463 1HZ LYS A 28 98.512 79.374 85.186 1.00 0.00 H ATOM 464 2HZ LYS A 28 99.511 78.068 85.334 1.00 0.00 H ATOM 465 3HZ LYS A 28 99.278 78.768 83.858 1.00 0.00 H ATOM 466 N THR A 29 97.286 72.271 80.493 1.00 0.00 N ATOM 467 CA THR A 29 97.849 71.225 79.645 1.00 0.00 C ATOM 468 C THR A 29 98.980 70.462 80.327 1.00 0.00 C ATOM 469 O THR A 29 98.953 69.233 80.380 1.00 0.00 O ATOM 470 CB THR A 29 98.377 71.809 78.325 1.00 0.00 C ATOM 471 OG1 THR A 29 97.299 72.419 77.605 1.00 0.00 O ATOM 472 CG2 THR A 29 98.998 70.712 77.477 1.00 0.00 C ATOM 473 H THR A 29 97.196 73.211 80.134 1.00 0.00 H ATOM 474 HA THR A 29 97.067 70.492 79.444 1.00 0.00 H ATOM 475 HB THR A 29 99.130 72.569 78.542 1.00 0.00 H ATOM 476 HG1 THR A 29 96.912 73.117 78.140 1.00 0.00 H ATOM 477 1HG2 THR A 29 99.369 71.138 76.545 1.00 0.00 H ATOM 478 2HG2 THR A 29 99.825 70.254 78.021 1.00 0.00 H ATOM 479 3HG2 THR A 29 98.247 69.955 77.255 1.00 0.00 H ATOM 480 N GLU A 30 99.929 71.193 80.904 1.00 0.00 N ATOM 481 CA GLU A 30 101.078 70.581 81.558 1.00 0.00 C ATOM 482 C GLU A 30 100.702 69.872 82.853 1.00 0.00 C ATOM 483 O GLU A 30 101.213 68.788 83.150 1.00 0.00 O ATOM 484 CB GLU A 30 102.130 71.650 81.841 1.00 0.00 C ATOM 485 CG GLU A 30 102.777 72.229 80.594 1.00 0.00 C ATOM 486 CD GLU A 30 103.751 73.336 80.899 1.00 0.00 C ATOM 487 OE1 GLU A 30 103.841 73.727 82.038 1.00 0.00 O ATOM 488 OE2 GLU A 30 104.405 73.789 79.990 1.00 0.00 O ATOM 489 H GLU A 30 99.878 72.200 80.846 1.00 0.00 H ATOM 490 HA GLU A 30 101.513 69.854 80.873 1.00 0.00 H ATOM 491 1HB GLU A 30 101.673 72.470 82.398 1.00 0.00 H ATOM 492 2HB GLU A 30 102.918 71.229 82.465 1.00 0.00 H ATOM 493 1HG GLU A 30 103.302 71.434 80.067 1.00 0.00 H ATOM 494 2HG GLU A 30 101.994 72.609 79.937 1.00 0.00 H ATOM 495 N PHE A 31 99.792 70.480 83.609 1.00 0.00 N ATOM 496 CA PHE A 31 99.366 69.936 84.890 1.00 0.00 C ATOM 497 C PHE A 31 98.520 68.689 84.692 1.00 0.00 C ATOM 498 O PHE A 31 98.697 67.704 85.406 1.00 0.00 O ATOM 499 CB PHE A 31 98.575 70.978 85.667 1.00 0.00 C ATOM 500 CG PHE A 31 99.375 72.094 86.211 1.00 0.00 C ATOM 501 CD1 PHE A 31 100.705 71.922 86.553 1.00 0.00 C ATOM 502 CD2 PHE A 31 98.793 73.335 86.388 1.00 0.00 C ATOM 503 CE1 PHE A 31 101.439 72.976 87.062 1.00 0.00 C ATOM 504 CE2 PHE A 31 99.522 74.390 86.894 1.00 0.00 C ATOM 505 CZ PHE A 31 100.848 74.210 87.233 1.00 0.00 C ATOM 506 H PHE A 31 99.417 71.366 83.303 1.00 0.00 H ATOM 507 HA PHE A 31 100.253 69.683 85.473 1.00 0.00 H ATOM 508 1HB PHE A 31 97.819 71.399 85.018 1.00 0.00 H ATOM 509 2HB PHE A 31 98.074 70.498 86.496 1.00 0.00 H ATOM 510 HD1 PHE A 31 101.173 70.946 86.417 1.00 0.00 H ATOM 511 HD2 PHE A 31 97.744 73.474 86.120 1.00 0.00 H ATOM 512 HE1 PHE A 31 102.486 72.831 87.329 1.00 0.00 H ATOM 513 HE2 PHE A 31 99.051 75.364 87.027 1.00 0.00 H ATOM 514 HZ PHE A 31 101.424 75.042 87.635 1.00 0.00 H ATOM 515 N LYS A 32 97.815 68.667 83.567 1.00 0.00 N ATOM 516 CA LYS A 32 96.902 67.588 83.251 1.00 0.00 C ATOM 517 C LYS A 32 97.699 66.404 82.779 1.00 0.00 C ATOM 518 O LYS A 32 97.462 65.286 83.217 1.00 0.00 O ATOM 519 CB LYS A 32 95.879 67.998 82.197 1.00 0.00 C ATOM 520 CG LYS A 32 94.875 66.914 81.869 1.00 0.00 C ATOM 521 CD LYS A 32 93.814 67.410 80.901 1.00 0.00 C ATOM 522 CE LYS A 32 92.819 66.307 80.561 1.00 0.00 C ATOM 523 NZ LYS A 32 91.824 66.748 79.537 1.00 0.00 N ATOM 524 H LYS A 32 97.617 69.553 83.137 1.00 0.00 H ATOM 525 HA LYS A 32 96.350 67.320 84.151 1.00 0.00 H ATOM 526 1HB LYS A 32 95.331 68.875 82.535 1.00 0.00 H ATOM 527 2HB LYS A 32 96.397 68.275 81.277 1.00 0.00 H ATOM 528 1HG LYS A 32 95.391 66.063 81.419 1.00 0.00 H ATOM 529 2HG LYS A 32 94.394 66.585 82.784 1.00 0.00 H ATOM 530 1HD LYS A 32 93.278 68.251 81.353 1.00 0.00 H ATOM 531 2HD LYS A 32 94.290 67.756 79.984 1.00 0.00 H ATOM 532 1HE LYS A 32 93.362 65.446 80.179 1.00 0.00 H ATOM 533 2HE LYS A 32 92.288 66.013 81.469 1.00 0.00 H ATOM 534 1HZ LYS A 32 91.185 65.991 79.340 1.00 0.00 H ATOM 535 2HZ LYS A 32 91.308 67.541 79.890 1.00 0.00 H ATOM 536 3HZ LYS A 32 92.306 67.011 78.689 1.00 0.00 H ATOM 537 N ALA A 33 98.757 66.680 82.021 1.00 0.00 N ATOM 538 CA ALA A 33 99.579 65.619 81.472 1.00 0.00 C ATOM 539 C ALA A 33 100.160 64.811 82.620 1.00 0.00 C ATOM 540 O ALA A 33 100.034 63.587 82.650 1.00 0.00 O ATOM 541 CB ALA A 33 100.678 66.206 80.603 1.00 0.00 C ATOM 542 H ALA A 33 98.842 67.604 81.618 1.00 0.00 H ATOM 543 HA ALA A 33 98.967 64.963 80.850 1.00 0.00 H ATOM 544 1HB ALA A 33 101.315 65.403 80.231 1.00 0.00 H ATOM 545 2HB ALA A 33 100.232 66.735 79.760 1.00 0.00 H ATOM 546 3HB ALA A 33 101.275 66.900 81.193 1.00 0.00 H ATOM 547 N ASN A 34 100.566 65.521 83.674 1.00 0.00 N ATOM 548 CA ASN A 34 101.153 64.868 84.828 1.00 0.00 C ATOM 549 C ASN A 34 100.086 64.098 85.592 1.00 0.00 C ATOM 550 O ASN A 34 100.324 62.971 86.020 1.00 0.00 O ATOM 551 CB ASN A 34 101.833 65.890 85.716 1.00 0.00 C ATOM 552 CG ASN A 34 103.106 66.419 85.109 1.00 0.00 C ATOM 553 OD1 ASN A 34 103.705 65.780 84.236 1.00 0.00 O ATOM 554 ND2 ASN A 34 103.528 67.575 85.555 1.00 0.00 N ATOM 555 H ASN A 34 100.681 66.524 83.572 1.00 0.00 H ATOM 556 HA ASN A 34 101.898 64.151 84.485 1.00 0.00 H ATOM 557 1HB ASN A 34 101.155 66.725 85.899 1.00 0.00 H ATOM 558 2HB ASN A 34 102.063 65.437 86.680 1.00 0.00 H ATOM 559 1HD2 ASN A 34 104.368 67.976 85.188 1.00 0.00 H ATOM 560 2HD2 ASN A 34 103.011 68.057 86.261 1.00 0.00 H ATOM 561 N ALA A 35 98.884 64.672 85.663 1.00 0.00 N ATOM 562 CA ALA A 35 97.790 64.074 86.416 1.00 0.00 C ATOM 563 C ALA A 35 97.378 62.759 85.768 1.00 0.00 C ATOM 564 O ALA A 35 97.157 61.766 86.454 1.00 0.00 O ATOM 565 CB ALA A 35 96.619 65.034 86.484 1.00 0.00 C ATOM 566 H ALA A 35 98.790 65.638 85.378 1.00 0.00 H ATOM 567 HA ALA A 35 98.126 63.866 87.431 1.00 0.00 H ATOM 568 1HB ALA A 35 95.798 64.571 87.032 1.00 0.00 H ATOM 569 2HB ALA A 35 96.933 65.939 86.995 1.00 0.00 H ATOM 570 3HB ALA A 35 96.290 65.277 85.484 1.00 0.00 H ATOM 571 N GLU A 36 97.411 62.709 84.441 1.00 0.00 N ATOM 572 CA GLU A 36 97.017 61.500 83.738 1.00 0.00 C ATOM 573 C GLU A 36 98.003 60.378 84.039 1.00 0.00 C ATOM 574 O GLU A 36 97.607 59.241 84.287 1.00 0.00 O ATOM 575 CB GLU A 36 96.946 61.730 82.223 1.00 0.00 C ATOM 576 CG GLU A 36 95.801 62.601 81.735 1.00 0.00 C ATOM 577 CD GLU A 36 95.827 62.802 80.244 1.00 0.00 C ATOM 578 OE1 GLU A 36 96.771 62.375 79.624 1.00 0.00 O ATOM 579 OE2 GLU A 36 94.906 63.383 79.722 1.00 0.00 O ATOM 580 H GLU A 36 97.511 63.569 83.925 1.00 0.00 H ATOM 581 HA GLU A 36 96.023 61.208 84.080 1.00 0.00 H ATOM 582 1HB GLU A 36 97.873 62.197 81.887 1.00 0.00 H ATOM 583 2HB GLU A 36 96.857 60.769 81.717 1.00 0.00 H ATOM 584 1HG GLU A 36 94.863 62.135 82.014 1.00 0.00 H ATOM 585 2HG GLU A 36 95.852 63.568 82.229 1.00 0.00 H ATOM 586 N LYS A 37 99.263 60.768 84.222 1.00 0.00 N ATOM 587 CA LYS A 37 100.349 59.823 84.429 1.00 0.00 C ATOM 588 C LYS A 37 100.559 59.433 85.892 1.00 0.00 C ATOM 589 O LYS A 37 101.118 58.371 86.163 1.00 0.00 O ATOM 590 CB LYS A 37 101.640 60.407 83.864 1.00 0.00 C ATOM 591 CG LYS A 37 101.640 60.578 82.354 1.00 0.00 C ATOM 592 CD LYS A 37 102.935 61.211 81.872 1.00 0.00 C ATOM 593 CE LYS A 37 102.937 61.392 80.361 1.00 0.00 C ATOM 594 NZ LYS A 37 104.201 62.016 79.877 1.00 0.00 N ATOM 595 H LYS A 37 99.512 61.701 83.909 1.00 0.00 H ATOM 596 HA LYS A 37 100.109 58.909 83.886 1.00 0.00 H ATOM 597 1HB LYS A 37 101.823 61.385 84.314 1.00 0.00 H ATOM 598 2HB LYS A 37 102.478 59.764 84.131 1.00 0.00 H ATOM 599 1HG LYS A 37 101.522 59.604 81.879 1.00 0.00 H ATOM 600 2HG LYS A 37 100.804 61.209 82.059 1.00 0.00 H ATOM 601 1HD LYS A 37 103.058 62.187 82.349 1.00 0.00 H ATOM 602 2HD LYS A 37 103.777 60.579 82.153 1.00 0.00 H ATOM 603 1HE LYS A 37 102.816 60.419 79.887 1.00 0.00 H ATOM 604 2HE LYS A 37 102.095 62.025 80.079 1.00 0.00 H ATOM 605 1HZ LYS A 37 104.163 62.119 78.872 1.00 0.00 H ATOM 606 2HZ LYS A 37 104.312 62.925 80.304 1.00 0.00 H ATOM 607 3HZ LYS A 37 104.984 61.429 80.125 1.00 0.00 H ATOM 608 N THR A 38 99.982 60.195 86.828 1.00 0.00 N ATOM 609 CA THR A 38 100.228 59.925 88.246 1.00 0.00 C ATOM 610 C THR A 38 98.975 59.597 89.059 1.00 0.00 C ATOM 611 O THR A 38 99.076 58.957 90.105 1.00 0.00 O ATOM 612 CB THR A 38 100.939 61.116 88.916 1.00 0.00 C ATOM 613 OG1 THR A 38 100.102 62.277 88.841 1.00 0.00 O ATOM 614 CG2 THR A 38 102.269 61.402 88.218 1.00 0.00 C ATOM 615 H THR A 38 99.594 61.089 86.556 1.00 0.00 H ATOM 616 HA THR A 38 100.866 59.047 88.319 1.00 0.00 H ATOM 617 HB THR A 38 101.122 60.881 89.963 1.00 0.00 H ATOM 618 HG1 THR A 38 99.927 62.487 87.919 1.00 0.00 H ATOM 619 1HG2 THR A 38 102.759 62.245 88.703 1.00 0.00 H ATOM 620 2HG2 THR A 38 102.908 60.522 88.283 1.00 0.00 H ATOM 621 3HG2 THR A 38 102.100 61.642 87.173 1.00 0.00 H ATOM 622 N SER A 39 97.797 59.943 88.547 1.00 0.00 N ATOM 623 CA SER A 39 96.571 59.784 89.327 1.00 0.00 C ATOM 624 C SER A 39 96.235 58.348 89.640 1.00 0.00 C ATOM 625 O SER A 39 96.018 57.547 88.734 1.00 0.00 O ATOM 626 CB SER A 39 95.373 60.382 88.632 1.00 0.00 C ATOM 627 OG SER A 39 94.195 60.046 89.330 1.00 0.00 O ATOM 628 H SER A 39 97.772 60.526 87.727 1.00 0.00 H ATOM 629 HA SER A 39 96.722 60.275 90.289 1.00 0.00 H ATOM 630 1HB SER A 39 95.481 61.465 88.580 1.00 0.00 H ATOM 631 2HB SER A 39 95.321 60.013 87.608 1.00 0.00 H ATOM 632 HG SER A 39 94.304 60.398 90.216 1.00 0.00 H ATOM 633 N GLY A 40 96.049 58.078 90.928 1.00 0.00 N ATOM 634 CA GLY A 40 95.726 56.750 91.435 1.00 0.00 C ATOM 635 C GLY A 40 94.398 56.192 90.909 1.00 0.00 C ATOM 636 O GLY A 40 94.102 55.016 91.129 1.00 0.00 O ATOM 637 H GLY A 40 96.234 58.810 91.600 1.00 0.00 H ATOM 638 1HA GLY A 40 96.527 56.066 91.157 1.00 0.00 H ATOM 639 2HA GLY A 40 95.683 56.787 92.522 1.00 0.00 H ATOM 640 N THR A 41 93.612 57.003 90.185 1.00 0.00 N ATOM 641 CA THR A 41 92.356 56.523 89.618 1.00 0.00 C ATOM 642 C THR A 41 92.586 55.473 88.523 1.00 0.00 C ATOM 643 O THR A 41 91.683 54.698 88.206 1.00 0.00 O ATOM 644 CB THR A 41 91.524 57.685 89.035 1.00 0.00 C ATOM 645 OG1 THR A 41 92.283 58.356 88.023 1.00 0.00 O ATOM 646 CG2 THR A 41 91.147 58.680 90.110 1.00 0.00 C ATOM 647 H THR A 41 93.890 57.969 90.013 1.00 0.00 H ATOM 648 HA THR A 41 91.775 56.060 90.416 1.00 0.00 H ATOM 649 HB THR A 41 90.618 57.282 88.589 1.00 0.00 H ATOM 650 HG1 THR A 41 92.980 58.875 88.439 1.00 0.00 H ATOM 651 1HG2 THR A 41 90.563 59.481 89.664 1.00 0.00 H ATOM 652 2HG2 THR A 41 90.561 58.185 90.874 1.00 0.00 H ATOM 653 3HG2 THR A 41 92.046 59.093 90.561 1.00 0.00 H ATOM 654 N SER A 42 93.796 55.443 87.958 1.00 0.00 N ATOM 655 CA SER A 42 94.130 54.494 86.900 1.00 0.00 C ATOM 656 C SER A 42 95.590 54.058 86.975 1.00 0.00 C ATOM 657 O SER A 42 95.984 53.076 86.343 1.00 0.00 O ATOM 658 CB SER A 42 93.859 55.110 85.539 1.00 0.00 C ATOM 659 OG SER A 42 94.682 56.217 85.312 1.00 0.00 O ATOM 660 H SER A 42 94.496 56.110 88.256 1.00 0.00 H ATOM 661 HA SER A 42 93.487 53.620 87.004 1.00 0.00 H ATOM 662 1HB SER A 42 94.027 54.363 84.765 1.00 0.00 H ATOM 663 2HB SER A 42 92.815 55.413 85.481 1.00 0.00 H ATOM 664 HG SER A 42 95.585 55.889 85.365 1.00 0.00 H ATOM 665 N ILE A 43 96.355 54.722 87.833 1.00 0.00 N ATOM 666 CA ILE A 43 97.794 54.517 87.914 1.00 0.00 C ATOM 667 C ILE A 43 98.158 53.731 89.158 1.00 0.00 C ATOM 668 O ILE A 43 97.705 54.052 90.256 1.00 0.00 O ATOM 669 CB ILE A 43 98.536 55.867 87.915 1.00 0.00 C ATOM 670 CG1 ILE A 43 98.165 56.646 86.648 1.00 0.00 C ATOM 671 CG2 ILE A 43 100.036 55.681 88.009 1.00 0.00 C ATOM 672 CD1 ILE A 43 98.563 55.968 85.372 1.00 0.00 C ATOM 673 H ILE A 43 95.987 55.564 88.253 1.00 0.00 H ATOM 674 HA ILE A 43 98.116 53.921 87.062 1.00 0.00 H ATOM 675 HB ILE A 43 98.211 56.452 88.763 1.00 0.00 H ATOM 676 1HG1 ILE A 43 97.092 56.802 86.630 1.00 0.00 H ATOM 677 2HG1 ILE A 43 98.641 57.609 86.685 1.00 0.00 H ATOM 678 1HG2 ILE A 43 100.520 56.651 88.005 1.00 0.00 H ATOM 679 2HG2 ILE A 43 100.287 55.159 88.923 1.00 0.00 H ATOM 680 3HG2 ILE A 43 100.383 55.099 87.156 1.00 0.00 H ATOM 681 1HD1 ILE A 43 98.264 56.586 84.526 1.00 0.00 H ATOM 682 2HD1 ILE A 43 99.644 55.828 85.358 1.00 0.00 H ATOM 683 3HD1 ILE A 43 98.070 54.999 85.306 1.00 0.00 H ATOM 684 N LYS A 44 99.040 52.752 89.007 1.00 0.00 N ATOM 685 CA LYS A 44 99.486 51.995 90.165 1.00 0.00 C ATOM 686 C LYS A 44 100.454 52.845 90.978 1.00 0.00 C ATOM 687 O LYS A 44 101.487 53.277 90.465 1.00 0.00 O ATOM 688 CB LYS A 44 100.153 50.690 89.733 1.00 0.00 C ATOM 689 CG LYS A 44 100.576 49.793 90.889 1.00 0.00 C ATOM 690 CD LYS A 44 101.172 48.485 90.385 1.00 0.00 C ATOM 691 CE LYS A 44 101.602 47.590 91.538 1.00 0.00 C ATOM 692 NZ LYS A 44 102.186 46.308 91.059 1.00 0.00 N ATOM 693 H LYS A 44 99.364 52.504 88.085 1.00 0.00 H ATOM 694 HA LYS A 44 98.622 51.753 90.783 1.00 0.00 H ATOM 695 1HB LYS A 44 99.467 50.124 89.101 1.00 0.00 H ATOM 696 2HB LYS A 44 101.038 50.914 89.138 1.00 0.00 H ATOM 697 1HG LYS A 44 101.321 50.310 91.497 1.00 0.00 H ATOM 698 2HG LYS A 44 99.711 49.572 91.514 1.00 0.00 H ATOM 699 1HD LYS A 44 100.431 47.957 89.782 1.00 0.00 H ATOM 700 2HD LYS A 44 102.039 48.697 89.760 1.00 0.00 H ATOM 701 1HE LYS A 44 102.341 48.116 92.139 1.00 0.00 H ATOM 702 2HE LYS A 44 100.734 47.374 92.162 1.00 0.00 H ATOM 703 1HZ LYS A 44 102.457 45.744 91.851 1.00 0.00 H ATOM 704 2HZ LYS A 44 101.499 45.810 90.510 1.00 0.00 H ATOM 705 3HZ LYS A 44 102.997 46.500 90.489 1.00 0.00 H ATOM 706 N THR A 45 100.099 53.105 92.231 1.00 0.00 N ATOM 707 CA THR A 45 100.919 53.937 93.105 1.00 0.00 C ATOM 708 C THR A 45 101.174 53.241 94.433 1.00 0.00 C ATOM 709 O THR A 45 100.581 52.201 94.726 1.00 0.00 O ATOM 710 CB THR A 45 100.259 55.314 93.356 1.00 0.00 C ATOM 711 OG1 THR A 45 99.031 55.125 94.072 1.00 0.00 O ATOM 712 CG2 THR A 45 99.964 56.043 92.033 1.00 0.00 C ATOM 713 H THR A 45 99.260 52.683 92.601 1.00 0.00 H ATOM 714 HA THR A 45 101.883 54.107 92.625 1.00 0.00 H ATOM 715 HB THR A 45 100.931 55.930 93.955 1.00 0.00 H ATOM 716 HG1 THR A 45 98.439 54.576 93.551 1.00 0.00 H ATOM 717 1HG2 THR A 45 99.500 57.008 92.242 1.00 0.00 H ATOM 718 2HG2 THR A 45 100.893 56.200 91.487 1.00 0.00 H ATOM 719 3HG2 THR A 45 99.296 55.457 91.432 1.00 0.00 H ATOM 720 N VAL A 46 102.039 53.838 95.244 1.00 0.00 N ATOM 721 CA VAL A 46 102.357 53.322 96.568 1.00 0.00 C ATOM 722 C VAL A 46 101.963 54.363 97.614 1.00 0.00 C ATOM 723 O VAL A 46 102.378 55.515 97.526 1.00 0.00 O ATOM 724 CB VAL A 46 103.866 53.006 96.665 1.00 0.00 C ATOM 725 CG1 VAL A 46 104.206 52.456 98.047 1.00 0.00 C ATOM 726 CG2 VAL A 46 104.238 52.021 95.573 1.00 0.00 C ATOM 727 H VAL A 46 102.482 54.692 94.937 1.00 0.00 H ATOM 728 HA VAL A 46 101.809 52.395 96.736 1.00 0.00 H ATOM 729 HB VAL A 46 104.438 53.925 96.539 1.00 0.00 H ATOM 730 1HG1 VAL A 46 105.273 52.239 98.097 1.00 0.00 H ATOM 731 2HG1 VAL A 46 103.962 53.165 98.799 1.00 0.00 H ATOM 732 3HG1 VAL A 46 103.642 51.541 98.221 1.00 0.00 H ATOM 733 1HG2 VAL A 46 105.302 51.795 95.635 1.00 0.00 H ATOM 734 2HG2 VAL A 46 103.663 51.103 95.700 1.00 0.00 H ATOM 735 3HG2 VAL A 46 104.018 52.454 94.598 1.00 0.00 H ATOM 736 N LYS A 47 101.302 53.902 98.681 1.00 0.00 N ATOM 737 CA LYS A 47 100.814 54.737 99.792 1.00 0.00 C ATOM 738 C LYS A 47 101.866 55.576 100.528 1.00 0.00 C ATOM 739 O LYS A 47 101.586 56.688 100.965 1.00 0.00 O ATOM 740 CB LYS A 47 100.109 53.850 100.813 1.00 0.00 C ATOM 741 CG LYS A 47 101.031 52.888 101.548 1.00 0.00 C ATOM 742 CD LYS A 47 100.249 52.008 102.510 1.00 0.00 C ATOM 743 CE LYS A 47 101.166 51.064 103.269 1.00 0.00 C ATOM 744 NZ LYS A 47 100.407 50.175 104.189 1.00 0.00 N ATOM 745 H LYS A 47 101.038 52.927 98.678 1.00 0.00 H ATOM 746 HA LYS A 47 100.104 55.448 99.373 1.00 0.00 H ATOM 747 1HB LYS A 47 99.615 54.477 101.557 1.00 0.00 H ATOM 748 2HB LYS A 47 99.338 53.263 100.314 1.00 0.00 H ATOM 749 1HG LYS A 47 101.547 52.256 100.823 1.00 0.00 H ATOM 750 2HG LYS A 47 101.776 53.450 102.108 1.00 0.00 H ATOM 751 1HD LYS A 47 99.714 52.636 103.225 1.00 0.00 H ATOM 752 2HD LYS A 47 99.520 51.419 101.953 1.00 0.00 H ATOM 753 1HE LYS A 47 101.717 50.452 102.555 1.00 0.00 H ATOM 754 2HE LYS A 47 101.879 51.650 103.849 1.00 0.00 H ATOM 755 1HZ LYS A 47 101.048 49.565 104.675 1.00 0.00 H ATOM 756 2HZ LYS A 47 99.903 50.738 104.861 1.00 0.00 H ATOM 757 3HZ LYS A 47 99.752 49.620 103.658 1.00 0.00 H ATOM 758 N ILE A 48 103.132 55.279 100.277 1.00 0.00 N ATOM 759 CA ILE A 48 104.254 56.020 100.839 1.00 0.00 C ATOM 760 C ILE A 48 104.316 57.455 100.308 1.00 0.00 C ATOM 761 O ILE A 48 104.916 58.327 100.936 1.00 0.00 O ATOM 762 CB ILE A 48 105.581 55.300 100.527 1.00 0.00 C ATOM 763 CG1 ILE A 48 106.660 55.784 101.491 1.00 0.00 C ATOM 764 CG2 ILE A 48 106.004 55.532 99.077 1.00 0.00 C ATOM 765 CD1 ILE A 48 107.914 54.942 101.463 1.00 0.00 C ATOM 766 H ILE A 48 103.326 54.409 99.811 1.00 0.00 H ATOM 767 HA ILE A 48 104.127 56.067 101.920 1.00 0.00 H ATOM 768 HB ILE A 48 105.455 54.230 100.689 1.00 0.00 H ATOM 769 1HG1 ILE A 48 106.919 56.811 101.239 1.00 0.00 H ATOM 770 2HG1 ILE A 48 106.255 55.776 102.503 1.00 0.00 H ATOM 771 1HG2 ILE A 48 106.942 55.015 98.885 1.00 0.00 H ATOM 772 2HG2 ILE A 48 105.242 55.152 98.413 1.00 0.00 H ATOM 773 3HG2 ILE A 48 106.139 56.595 98.897 1.00 0.00 H ATOM 774 1HD1 ILE A 48 108.638 55.345 102.173 1.00 0.00 H ATOM 775 2HD1 ILE A 48 107.670 53.916 101.737 1.00 0.00 H ATOM 776 3HD1 ILE A 48 108.343 54.960 100.462 1.00 0.00 H ATOM 777 N LYS A 49 103.695 57.684 99.152 1.00 0.00 N ATOM 778 CA LYS A 49 103.693 58.980 98.489 1.00 0.00 C ATOM 779 C LYS A 49 102.598 59.917 98.993 1.00 0.00 C ATOM 780 O LYS A 49 102.577 61.094 98.633 1.00 0.00 O ATOM 781 CB LYS A 49 103.552 58.778 96.981 1.00 0.00 C ATOM 782 CG LYS A 49 104.720 58.042 96.342 1.00 0.00 C ATOM 783 CD LYS A 49 104.525 57.864 94.847 1.00 0.00 C ATOM 784 CE LYS A 49 105.705 57.128 94.226 1.00 0.00 C ATOM 785 NZ LYS A 49 105.550 56.965 92.754 1.00 0.00 N ATOM 786 H LYS A 49 103.222 56.917 98.695 1.00 0.00 H ATOM 787 HA LYS A 49 104.634 59.480 98.717 1.00 0.00 H ATOM 788 1HB LYS A 49 102.641 58.214 96.774 1.00 0.00 H ATOM 789 2HB LYS A 49 103.456 59.747 96.491 1.00 0.00 H ATOM 790 1HG LYS A 49 105.639 58.602 96.512 1.00 0.00 H ATOM 791 2HG LYS A 49 104.820 57.061 96.801 1.00 0.00 H ATOM 792 1HD LYS A 49 103.609 57.297 94.665 1.00 0.00 H ATOM 793 2HD LYS A 49 104.426 58.841 94.374 1.00 0.00 H ATOM 794 1HE LYS A 49 106.618 57.686 94.428 1.00 0.00 H ATOM 795 2HE LYS A 49 105.788 56.142 94.687 1.00 0.00 H ATOM 796 1HZ LYS A 49 106.350 56.473 92.383 1.00 0.00 H ATOM 797 2HZ LYS A 49 104.710 56.437 92.559 1.00 0.00 H ATOM 798 3HZ LYS A 49 105.483 57.875 92.320 1.00 0.00 H ATOM 799 N LYS A 50 101.676 59.398 99.800 1.00 0.00 N ATOM 800 CA LYS A 50 100.568 60.193 100.318 1.00 0.00 C ATOM 801 C LYS A 50 101.025 61.271 101.297 1.00 0.00 C ATOM 802 O LYS A 50 100.417 62.339 101.375 1.00 0.00 O ATOM 803 CB LYS A 50 99.541 59.289 100.998 1.00 0.00 C ATOM 804 CG LYS A 50 98.759 58.398 100.044 1.00 0.00 C ATOM 805 CD LYS A 50 97.782 57.507 100.802 1.00 0.00 C ATOM 806 CE LYS A 50 96.986 56.617 99.857 1.00 0.00 C ATOM 807 NZ LYS A 50 96.037 55.731 100.593 1.00 0.00 N ATOM 808 H LYS A 50 101.761 58.438 100.098 1.00 0.00 H ATOM 809 HA LYS A 50 100.090 60.698 99.479 1.00 0.00 H ATOM 810 1HB LYS A 50 100.043 58.646 101.719 1.00 0.00 H ATOM 811 2HB LYS A 50 98.825 59.900 101.547 1.00 0.00 H ATOM 812 1HG LYS A 50 98.205 59.016 99.338 1.00 0.00 H ATOM 813 2HG LYS A 50 99.453 57.772 99.485 1.00 0.00 H ATOM 814 1HD LYS A 50 98.335 56.878 101.502 1.00 0.00 H ATOM 815 2HD LYS A 50 97.088 58.128 101.366 1.00 0.00 H ATOM 816 1HE LYS A 50 96.425 57.243 99.166 1.00 0.00 H ATOM 817 2HE LYS A 50 97.677 55.999 99.284 1.00 0.00 H ATOM 818 1HZ LYS A 50 95.530 55.159 99.934 1.00 0.00 H ATOM 819 2HZ LYS A 50 96.554 55.138 101.228 1.00 0.00 H ATOM 820 3HZ LYS A 50 95.385 56.297 101.117 1.00 0.00 H ATOM 821 N GLU A 51 102.095 60.989 102.037 1.00 0.00 N ATOM 822 CA GLU A 51 102.608 61.913 103.041 1.00 0.00 C ATOM 823 C GLU A 51 104.067 62.273 102.781 1.00 0.00 C ATOM 824 O GLU A 51 104.359 63.301 102.171 1.00 0.00 O ATOM 825 OXT GLU A 51 104.959 61.527 103.185 1.00 0.00 O ATOM 826 CB GLU A 51 102.466 61.304 104.439 1.00 0.00 C ATOM 827 CG GLU A 51 101.028 61.039 104.868 1.00 0.00 C ATOM 828 CD GLU A 51 100.928 60.450 106.246 1.00 0.00 C ATOM 829 OE1 GLU A 51 101.949 60.228 106.852 1.00 0.00 O ATOM 830 OE2 GLU A 51 99.830 60.220 106.695 1.00 0.00 O ATOM 831 H GLU A 51 102.562 60.103 101.903 1.00 0.00 H ATOM 832 HA GLU A 51 102.025 62.832 103.001 1.00 0.00 H ATOM 833 1HB GLU A 51 103.007 60.359 104.478 1.00 0.00 H ATOM 834 2HB GLU A 51 102.917 61.971 105.173 1.00 0.00 H ATOM 835 1HG GLU A 51 100.475 61.978 104.844 1.00 0.00 H ATOM 836 2HG GLU A 51 100.565 60.359 104.153 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE S_0001_0001.pdb label fa_atr fa_rep fa_sol fa_intra_rep fa_intra_sol_xover4 lk_ball_wtd fa_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 omega fa_dun p_aa_pp yhh_planarity ref rama_prepro total weights 1 0.55 1 0.005 1 1 1 1.25 1 1 1 1 1.25 0.4 0.7 0.6 0.625 1 0.45 NA pose -239.021 25.1548 160.171 0.59428 7.35686 -8.37414 -41.8867 0 -33.5252 -1.07563 -3.50034 -1.61827 0 -0.81151 45.0062 -5.50297 0 24.9951 -5.80617 -77.8434 MET:NtermProteinFull_1 -5.37566 0.62524 1.66079 0.00957 0.16242 -0.40083 -0.03218 0 0 0 0 0 0 0.01442 1.35903 0 0 1.65735 0 -0.31985 VAL_2 -7.12807 1.16272 1.86478 0.01837 0.03575 -0.36128 -0.6497 0 0 0 0 0 0 -0.05414 0.44927 0.34848 0 2.64269 -0.12521 -1.79634 ALA_3 -2.62351 0.34857 2.61633 0.00139 0 -0.28624 0.09992 0 0 0 0 0 0 0.01054 0 0.04788 0 1.32468 -0.04513 1.49443 TYR_4 -5.10239 0.33123 2.66037 0.02581 0.27031 -0.15587 -0.59151 0 0 0 0 0 0 0.16347 1.40964 -0.20615 0 0.58223 0.13825 -0.47461 TRP_5 -10.5232 1.39551 3.14197 0.02179 0.30176 -0.63826 -0.6966 0 0 0 0 0 0 -0.03397 1.3238 -0.05724 0 2.26099 -0.11309 -3.61656 ARG_6 -5.9693 0.53308 4.57747 0.01015 0.1741 -0.40311 -1.39086 0 0 0 0 0 0 0.09556 1.44918 -0.16592 0 -0.09474 -0.33495 -1.51935 GLN_7 -2.91857 0.29059 2.93208 0.01023 0.72687 -0.18281 -0.38766 0 0 0 0 0 0 -0.03347 1.95927 -0.15418 0 -1.45095 -0.32311 0.46829 ALA_8 -3.37213 0.30125 1.61633 0.0014 0 -0.05609 -0.36604 0 0 0 0 0 0 -0.0352 0 -0.02398 0 1.32468 -0.36556 -0.97534 GLY_9 -1.56722 0.11689 1.92076 9e-05 0 -0.15682 -1.01377 0 0 0 0 0 0 -0.12082 0 -1.32652 0 0.79816 -0.35577 -1.70503 LEU_10 -6.598 1.06905 1.02693 0.02012 0.07837 -0.11734 -0.24542 0 0 0 0 0 0 0.01272 0.39839 -0.1401 0 1.66147 -0.40821 -3.24202 SER_11 -3.60863 0.55483 3.35174 0.00219 0.05377 0.17235 -1.77087 0 0 0 -0.74176 0 0 -0.01067 0.60215 -0.04742 0 -0.28969 -0.50796 -2.23996 TYR_12 -3.61433 0.59048 2.27651 0.0224 0.27975 -0.03522 0.0574 0 0 0 0 0 0 0.16784 2.00404 0.28618 0 0.58223 -0.02046 2.59683 ILE_13 -2.44026 0.42286 2.31114 0.02754 0.07506 -0.07103 0.02676 0 0 0 -0.74176 0 0 -0.05345 0.19519 -0.22942 0 2.30374 0.16332 1.98967 ARG_14 -6.28589 0.59516 3.86671 0.01484 0.31811 -0.18722 -1.19909 0 0 0 0 0 0 -0.01691 2.00476 -0.14394 0 -0.09474 0.04303 -1.08518 PHE_15 -9.99636 1.55724 3.78594 0.02645 0.39744 -0.00214 -1.25685 0 0 0 0 0 0 0.14374 2.06303 0.12146 0 1.21829 0.04027 -1.90148 SER_16 -3.70372 0.34718 3.53963 0.00155 0.02367 0.10426 -1.37699 0 0 0 0 0 0 -0.08424 0.58066 0.23463 0 -0.28969 0.12035 -0.5027 GLN_17 -5.69718 0.57008 4.16359 0.00731 0.19232 -0.06318 -1.77974 0 0 0 0 0 0 -0.02687 2.25921 -0.15891 0 -1.45095 0.06592 -1.91841 ILE_18 -10.2157 1.33627 3.1214 0.04931 0.10843 -0.22349 -1.12027 0 0 0 0 0 0 -0.03101 1.03162 -0.44786 0 2.30374 -0.12673 -4.21434 CYS_19 -6.05613 0.63569 3.26395 0.00346 0.02697 -0.08332 -1.62213 0 0 0 0 0 0 -0.01108 0.91105 0.29147 0 3.25479 -0.17098 0.44372 ALA_20 -4.46295 0.33635 3.06551 0.0013 0 -0.09676 -1.41909 0 0 0 0 0 0 -0.04118 0 -0.07607 0 1.32468 -0.28502 -1.65323 LYS_21 -7.53517 0.60386 6.14566 0.00745 0.12107 -0.62281 -0.92143 0 0 0 0 0 0 0.01375 0.9231 -0.14408 0 -0.71458 -0.28685 -2.41001 ALA_22 -4.95735 0.35447 3.03703 0.00128 0 -0.05901 -1.20428 0 0 0 0 0 0 -0.04039 0 -0.177 0 1.32468 -0.3428 -2.06337 VAL_23 -5.16396 0.80557 3.5274 0.02174 0.05414 -0.11291 -1.23869 0 0 0 0 0 0 -0.03833 -0.00495 -0.3529 0 2.64269 -0.19508 -0.05528 ARG_24 -8.04207 0.59069 6.27263 0.01807 0.48707 -0.45923 -1.42322 0 0 0 0 0 0 -0.03072 1.66785 -0.19692 0 -0.09474 0.00335 -1.20725 ASP_25 -4.04563 0.3238 5.25052 0.00368 0.29173 -0.36937 -1.23023 0 0 0 0 0 0 -0.02919 1.41914 0.01441 0 -2.14574 -0.12418 -0.64106 ALA_26 -2.58058 0.23559 2.17373 0.00134 0 0.0117 -0.7324 0 0 0 0 0 0 0.00299 0 -0.05701 0 1.32468 -0.3698 0.01024 LEU_27 -6.86948 0.82277 2.85287 0.02016 0.04287 -0.22918 -0.07487 0 0 0 0 0 0 0.0024 0.07335 0.01022 0 1.66147 -0.31911 -2.00653 LYS_28 -4.23468 0.35063 3.59498 0.00759 0.10851 -0.09623 -0.73669 0 0 0 0 0 0 -0.00752 0.83306 0.43096 0 -0.71458 0.14816 -0.31581 THR_29 -2.54878 0.10062 2.23805 0.01287 0.06264 -0.05955 -0.38708 0 0 0 0 0 0 -0.0166 0.02108 0.0532 0 1.15175 0.40858 1.0368 GLU_30 -3.16831 0.17392 2.57945 0.00672 0.27668 -0.22038 -0.16456 0 0 0 0 0 0 -0.03506 2.59171 -0.27145 0 -2.72453 -0.00047 -0.95628 PHE_31 -6.14255 0.4405 3.35788 0.0444 0.22315 -0.30785 -0.33426 0 0 0 0 0 0 -0.03848 2.69088 0.04609 0 1.21829 -0.22831 0.96973 LYS_32 -8.27946 0.5924 7.55949 0.00921 0.19362 -0.32642 -2.92791 0 0 0 0 0 0 -0.03363 1.40306 -0.13504 0 -0.71458 -0.13962 -2.79888 ALA_33 -4.36889 0.19734 4.00161 0.00137 0 -0.12083 -1.49654 0 0 0 0 0 0 -0.03347 0 -0.27321 0 1.32468 -0.28285 -1.05081 ASN_34 -4.7633 0.32123 4.80607 0.00628 0.25505 -0.22038 -1.99138 0 0 0 0 0 0 -0.03892 1.15154 0.31045 0 -1.34026 -0.13681 -1.64044 ALA_35 -5.13439 0.48885 3.77552 0.00141 0 -0.02849 -1.98183 0 0 0 0 0 0 -0.03343 0 -0.1808 0 1.32468 -0.13218 -1.90066 GLU_36 -4.7842 0.27688 4.72563 0.00562 0.24989 -0.23614 -1.11426 0 0 0 0 0 0 -0.02175 2.56145 -0.35808 0 -2.72453 -0.46896 -1.88845 LYS_37 -4.11208 0.34498 3.06894 0.00816 0.14077 -0.30703 -0.82383 0 0 0 0 0 0 -0.01731 0.8311 -0.15748 0 -0.71458 -0.45425 -2.19262 THR_38 -4.0182 0.19748 3.37144 0.00624 0.06029 -0.03174 -1.33274 0 0 0 0 0 0 -0.02388 0.00921 -0.66526 0 1.15175 -0.24957 -1.52499 SER_39 -4.38425 0.64176 5.29362 0.00342 0.07743 0.18061 -2.97147 0 0 0 -1.00841 -0.80914 0 -0.05353 0.3138 0.27758 0 -0.28969 -0.03115 -2.75941 GLY_40 -2.309 0.23678 2.05105 7e-05 0 -0.05456 0.4764 0 0 0 0 0 0 -0.13317 0 0.21894 0 0.79816 0.36382 1.64848 THR_41 -3.92852 0.49172 2.98912 0.00527 0.05968 -0.07592 -0.68528 0 0 0 -1.00841 -0.80914 0 -0.05088 0.05976 0.12373 0 1.15175 0.23294 -1.44418 SER_42 -2.2285 0.22679 2.40154 0.00192 0.05409 -0.10818 -0.29797 0 0 0 0 0 0 0.07687 0.14763 -0.37342 0 -0.28969 0.59272 0.2038 ILE_43 -6.71518 0.65179 3.69505 0.03397 0.0815 -0.14933 -0.61051 0 0 0 0 0 0 -0.01663 0.85988 -0.64546 0 2.30374 0.54047 0.02929 LYS_44 -1.50308 0.16387 0.79672 0.00843 0.16519 -0.2 -0.11286 0 0 0 0 0 0 -0.06087 0.922 0.15202 0 -0.71458 -0.12802 -0.51117 THR_45 -2.81065 0.2196 1.13238 0.00535 0.07271 -0.23506 0.12708 0 0 0 0 0 0 -0.01058 0.04842 -0.66047 0 1.15175 -0.15043 -1.10992 VAL_46 -3.52314 0.56966 1.88055 0.0153 0.04244 0.05784 -0.26608 0 0 0 0 0 0 -0.04486 0.11426 -0.77771 0 2.64269 -0.34061 0.37035 LYS_47 -3.1523 0.31579 2.40817 0.01118 0.1712 -0.08844 -0.7344 0 0 0 0 0 0 -0.03946 1.09132 -0.03015 0 -0.71458 -0.04451 -0.80618 ILE_48 -3.26708 0.66844 1.6897 0.02777 0.14267 -0.18276 0.56486 0 0 0 0 0 0 -0.02468 0.94613 0.34985 0 2.30374 -0.00743 3.2112 LYS_49 -3.17914 0.36617 2.65477 0.00834 0.15129 -0.09232 -0.12031 0 0 0 0 0 0 -0.04192 0.83006 -0.12164 0 -0.71458 -0.36983 -0.6291 LYS_50 -2.80501 0.15856 2.51359 0.00732 0.12417 -0.08246 -0.71068 0 0 0 0 0 0 -0.04748 0.84365 -0.06474 0 -0.71458 -0.46254 -1.2402 GLU:CtermProteinFull_51 -1.20656 0.10202 1.56198 0.00711 0.42194 -0.30333 0.30536 0 0 0 0 0 0 0 2.65746 0 0 -2.72453 -0.2198 0.60164 #END_POSE_ENERGIES_TABLE S_0001_0001.pdb