EXPDTA 3Dpro_TS2-scwrl MODEL 1 REMARK 44 REMARK 44 model 1 is called 3Dpro_TS2-scwrl ATOM 1 N SER A 1 23.302 7.559 11.796 1.00 0.00 ATOM 2 CA SER A 1 23.025 8.401 12.982 1.00 0.00 ATOM 3 CB SER A 1 24.124 9.450 13.163 1.00 0.00 ATOM 4 OG SER A 1 24.119 10.383 12.096 1.00 0.00 ATOM 5 O SER A 1 20.836 8.645 12.108 1.00 0.00 ATOM 6 C SER A 1 21.721 9.106 12.828 1.00 0.00 ATOM 7 N MET A 2 21.564 10.246 13.527 1.00 0.00 ATOM 8 CA MET A 2 20.341 10.985 13.442 1.00 0.00 ATOM 9 CB MET A 2 20.153 11.855 14.686 1.00 0.00 ATOM 10 CG MET A 2 20.026 11.068 15.981 1.00 0.00 ATOM 11 SD MET A 2 18.632 9.925 15.966 1.00 0.00 ATOM 12 CE MET A 2 17.255 11.070 15.963 1.00 0.00 ATOM 13 O MET A 2 21.473 12.384 11.897 1.00 0.00 ATOM 14 C MET A 2 20.415 11.849 12.226 1.00 0.00 ATOM 15 N SER A 3 19.283 11.986 11.510 1.00 0.00 ATOM 16 CA SER A 3 19.251 12.792 10.324 1.00 0.00 ATOM 17 CB SER A 3 18.161 12.299 9.370 1.00 0.00 ATOM 18 OG SER A 3 16.871 12.512 9.917 1.00 0.00 ATOM 19 O SER A 3 18.620 14.460 11.881 1.00 0.00 ATOM 20 C SER A 3 18.966 14.197 10.731 1.00 0.00 ATOM 21 N GLU A 4 19.133 15.150 9.790 1.00 0.00 ATOM 22 CA GLU A 4 18.848 16.516 10.113 1.00 0.00 ATOM 23 CB GLU A 4 20.061 17.401 9.817 1.00 0.00 ATOM 24 CG GLU A 4 21.268 17.113 10.694 1.00 0.00 ATOM 25 CD GLU A 4 22.406 18.085 10.456 1.00 0.00 ATOM 26 OE1 GLU A 4 22.900 18.154 9.311 1.00 0.00 ATOM 27 OE2 GLU A 4 22.805 18.779 11.415 1.00 0.00 ATOM 28 O GLU A 4 17.771 16.991 8.048 1.00 0.00 ATOM 29 C GLU A 4 17.687 16.947 9.275 1.00 0.00 ATOM 30 N THR A 5 16.556 17.253 9.937 1.00 0.00 ATOM 31 CA THR A 5 15.375 17.732 9.283 1.00 0.00 ATOM 32 CB THR A 5 14.502 16.571 8.773 1.00 0.00 ATOM 33 CG2 THR A 5 15.310 15.654 7.867 1.00 0.00 ATOM 34 OG1 THR A 5 14.015 15.811 9.886 1.00 0.00 ATOM 35 O THR A 5 15.004 18.454 11.505 1.00 0.00 ATOM 36 C THR A 5 14.657 18.519 10.326 1.00 0.00 ATOM 37 N PHE A 6 13.648 19.309 9.925 1.00 0.00 ATOM 38 CA PHE A 6 12.923 20.041 10.918 1.00 0.00 ATOM 39 CB PHE A 6 13.055 21.546 10.677 1.00 0.00 ATOM 40 CG PHE A 6 14.459 22.062 10.817 1.00 0.00 ATOM 41 CD1 PHE A 6 15.294 22.145 9.717 1.00 0.00 ATOM 42 CD2 PHE A 6 14.944 22.464 12.050 1.00 0.00 ATOM 43 CE1 PHE A 6 16.586 22.619 9.846 1.00 0.00 ATOM 44 CE2 PHE A 6 16.235 22.938 12.179 1.00 0.00 ATOM 45 CZ PHE A 6 17.055 23.017 11.084 1.00 0.00 ATOM 46 O PHE A 6 10.958 19.421 9.748 1.00 0.00 ATOM 47 C PHE A 6 11.492 19.645 10.833 1.00 0.00 ATOM 48 N ASP A 7 10.844 19.536 12.007 1.00 0.00 ATOM 49 CA ASP A 7 9.446 19.243 12.067 1.00 0.00 ATOM 50 CB ASP A 7 9.193 18.016 12.945 1.00 0.00 ATOM 51 CG ASP A 7 7.729 17.623 12.989 1.00 0.00 ATOM 52 OD1 ASP A 7 6.905 18.331 12.374 1.00 0.00 ATOM 53 OD2 ASP A 7 7.407 16.606 13.638 1.00 0.00 ATOM 54 O ASP A 7 9.182 20.894 13.742 1.00 0.00 ATOM 55 C ASP A 7 8.810 20.460 12.653 1.00 0.00 ATOM 56 N VAL A 8 7.847 21.065 11.933 1.00 0.00 ATOM 57 CA VAL A 8 7.217 22.237 12.463 1.00 0.00 ATOM 58 CB VAL A 8 7.515 23.477 11.600 1.00 0.00 ATOM 59 CG1 VAL A 8 6.800 24.698 12.157 1.00 0.00 ATOM 60 CG2 VAL A 8 9.008 23.764 11.576 1.00 0.00 ATOM 61 O VAL A 8 5.162 21.573 11.485 1.00 0.00 ATOM 62 C VAL A 8 5.743 21.991 12.485 1.00 0.00 ATOM 63 N GLU A 9 5.100 22.251 13.641 1.00 0.00 ATOM 64 CA GLU A 9 3.680 22.076 13.758 1.00 0.00 ATOM 65 CB GLU A 9 3.342 21.254 15.004 1.00 0.00 ATOM 66 CG GLU A 9 1.858 20.978 15.182 1.00 0.00 ATOM 67 CD GLU A 9 1.563 20.159 16.422 1.00 0.00 ATOM 68 OE1 GLU A 9 2.518 19.820 17.152 1.00 0.00 ATOM 69 OE2 GLU A 9 0.375 19.856 16.665 1.00 0.00 ATOM 70 O GLU A 9 3.424 24.190 14.792 1.00 0.00 ATOM 71 C GLU A 9 3.113 23.452 13.858 1.00 0.00 ATOM 72 N LEU A 10 2.255 23.832 12.892 1.00 0.00 ATOM 73 CA LEU A 10 1.748 25.174 12.874 1.00 0.00 ATOM 74 CB LEU A 10 2.131 25.874 11.569 1.00 0.00 ATOM 75 CG LEU A 10 3.629 25.997 11.280 1.00 0.00 ATOM 76 CD1 LEU A 10 3.863 26.598 9.902 1.00 0.00 ATOM 77 CD2 LEU A 10 4.304 26.890 12.309 1.00 0.00 ATOM 78 O LEU A 10 -0.413 24.224 12.580 1.00 0.00 ATOM 79 C LEU A 10 0.262 25.167 12.989 1.00 0.00 ATOM 80 N THR A 11 -0.277 26.252 13.579 1.00 0.00 ATOM 81 CA THR A 11 -1.692 26.444 13.667 1.00 0.00 ATOM 82 CB THR A 11 -2.104 26.975 15.052 1.00 0.00 ATOM 83 CG2 THR A 11 -3.608 27.197 15.112 1.00 0.00 ATOM 84 OG1 THR A 11 -1.735 26.027 16.061 1.00 0.00 ATOM 85 O THR A 11 -1.325 28.472 12.497 1.00 0.00 ATOM 86 C THR A 11 -1.988 27.441 12.593 1.00 0.00 ATOM 87 N LYS A 12 -3.003 27.156 11.756 1.00 0.00 ATOM 88 CA LYS A 12 -3.273 27.981 10.611 1.00 0.00 ATOM 89 CB LYS A 12 -4.494 27.460 9.851 1.00 0.00 ATOM 90 CG LYS A 12 -4.829 28.251 8.597 1.00 0.00 ATOM 91 CD LYS A 12 -6.006 27.638 7.856 1.00 0.00 ATOM 92 CE LYS A 12 -6.373 28.457 6.629 1.00 0.00 ATOM 93 NZ LYS A 12 -7.539 27.882 5.905 1.00 0.00 ATOM 94 O LYS A 12 -2.928 30.324 10.532 1.00 0.00 ATOM 95 C LYS A 12 -3.544 29.389 11.042 1.00 0.00 ATOM 96 N ASN A 13 -4.467 29.582 12.003 1.00 0.00 ATOM 97 CA ASN A 13 -4.762 30.914 12.451 1.00 0.00 ATOM 98 CB ASN A 13 -3.470 31.686 12.723 1.00 0.00 ATOM 99 CG ASN A 13 -2.709 31.148 13.919 1.00 0.00 ATOM 100 ND2 ASN A 13 -1.393 31.324 13.910 1.00 0.00 ATOM 101 OD1 ASN A 13 -3.300 30.581 14.838 1.00 0.00 ATOM 102 O ASN A 13 -5.799 31.083 10.309 1.00 0.00 ATOM 103 C ASN A 13 -5.547 31.621 11.385 1.00 0.00 ATOM 104 N VAL A 14 -5.965 32.867 11.675 1.00 0.00 ATOM 105 CA VAL A 14 -6.784 33.633 10.778 1.00 0.00 ATOM 106 CB VAL A 14 -7.146 35.005 11.377 1.00 0.00 ATOM 107 CG1 VAL A 14 -7.841 35.873 10.338 1.00 0.00 ATOM 108 CG2 VAL A 14 -8.080 34.837 12.565 1.00 0.00 ATOM 109 O VAL A 14 -6.654 33.812 8.414 1.00 0.00 ATOM 110 C VAL A 14 -6.057 33.864 9.490 1.00 0.00 ATOM 111 N GLN A 15 -4.750 34.162 9.587 1.00 0.00 ATOM 112 CA GLN A 15 -3.891 34.454 8.475 1.00 0.00 ATOM 113 CB GLN A 15 -2.557 35.023 8.963 1.00 0.00 ATOM 114 CG GLN A 15 -2.670 36.384 9.630 1.00 0.00 ATOM 115 CD GLN A 15 -3.235 37.442 8.703 1.00 0.00 ATOM 116 OE1 GLN A 15 -2.828 37.549 7.546 1.00 0.00 ATOM 117 NE2 GLN A 15 -4.177 38.229 9.209 1.00 0.00 ATOM 118 O GLN A 15 -3.294 33.337 6.468 1.00 0.00 ATOM 119 C GLN A 15 -3.591 33.230 7.657 1.00 0.00 ATOM 120 N GLY A 16 -3.591 32.031 8.270 1.00 0.00 ATOM 121 CA GLY A 16 -3.301 30.854 7.497 1.00 0.00 ATOM 122 O GLY A 16 -1.110 31.279 8.309 1.00 0.00 ATOM 123 C GLY A 16 -1.840 30.550 7.639 1.00 0.00 ATOM 124 N LEU A 17 -1.379 29.456 6.991 1.00 0.00 ATOM 125 CA LEU A 17 -0.010 29.033 7.097 1.00 0.00 ATOM 126 CB LEU A 17 0.219 27.752 6.292 1.00 0.00 ATOM 127 CG LEU A 17 -0.441 26.483 6.836 1.00 0.00 ATOM 128 CD1 LEU A 17 -0.286 25.333 5.852 1.00 0.00 ATOM 129 CD2 LEU A 17 0.195 26.069 8.154 1.00 0.00 ATOM 130 O LEU A 17 1.910 30.420 7.149 1.00 0.00 ATOM 131 C LEU A 17 0.872 30.119 6.562 1.00 0.00 ATOM 132 N GLY A 18 0.486 30.727 5.424 1.00 0.00 ATOM 133 CA GLY A 18 1.180 31.880 4.918 1.00 0.00 ATOM 134 O GLY A 18 3.512 32.243 4.703 1.00 0.00 ATOM 135 C GLY A 18 2.535 31.586 4.345 1.00 0.00 ATOM 136 N ILE A 19 2.645 30.574 3.467 1.00 0.00 ATOM 137 CA ILE A 19 3.896 30.349 2.791 1.00 0.00 ATOM 138 CB ILE A 19 4.699 29.214 3.453 1.00 0.00 ATOM 139 CG1 ILE A 19 3.892 27.914 3.443 1.00 0.00 ATOM 140 CG2 ILE A 19 5.029 29.565 4.895 1.00 0.00 ATOM 141 CD1 ILE A 19 4.674 26.706 3.911 1.00 0.00 ATOM 142 O ILE A 19 2.541 29.393 1.090 1.00 0.00 ATOM 143 C ILE A 19 3.586 29.978 1.372 1.00 0.00 ATOM 144 N THR A 20 4.497 30.320 0.436 1.00 0.00 ATOM 145 CA THR A 20 4.301 29.997 -0.948 1.00 0.00 ATOM 146 CB THR A 20 4.547 31.219 -1.853 1.00 0.00 ATOM 147 CG2 THR A 20 4.300 30.860 -3.310 1.00 0.00 ATOM 148 OG1 THR A 20 3.660 32.280 -1.479 1.00 0.00 ATOM 149 O THR A 20 6.364 28.832 -0.732 1.00 0.00 ATOM 150 C THR A 20 5.273 28.911 -1.298 1.00 0.00 ATOM 151 N ILE A 21 4.878 28.022 -2.234 1.00 0.00 ATOM 152 CA ILE A 21 5.718 26.921 -2.609 1.00 0.00 ATOM 153 CB ILE A 21 5.131 25.577 -2.139 1.00 0.00 ATOM 154 CG1 ILE A 21 3.751 25.351 -2.761 1.00 0.00 ATOM 155 CG2 ILE A 21 4.985 25.560 -0.625 1.00 0.00 ATOM 156 CD1 ILE A 21 3.184 23.973 -2.504 1.00 0.00 ATOM 157 O ILE A 21 4.957 27.290 -4.836 1.00 0.00 ATOM 158 C ILE A 21 5.854 26.884 -4.099 1.00 0.00 ATOM 159 N ALA A 22 7.021 26.389 -4.563 1.00 0.00 ATOM 160 CA ALA A 22 7.347 26.253 -5.952 1.00 0.00 ATOM 161 CB ALA A 22 8.371 27.301 -6.361 1.00 0.00 ATOM 162 O ALA A 22 7.952 24.116 -5.126 1.00 0.00 ATOM 163 C ALA A 22 7.905 24.871 -6.096 1.00 0.00 ATOM 164 N GLY A 23 8.293 24.480 -7.326 1.00 0.00 ATOM 165 CA GLY A 23 8.844 23.170 -7.513 1.00 0.00 ATOM 166 O GLY A 23 6.554 22.686 -7.746 1.00 0.00 ATOM 167 C GLY A 23 7.704 22.254 -7.784 1.00 0.00 ATOM 168 N TYR A 24 8.026 20.980 -8.108 1.00 0.00 ATOM 169 CA TYR A 24 7.083 19.923 -8.380 1.00 0.00 ATOM 170 CB TYR A 24 5.663 20.484 -8.475 1.00 0.00 ATOM 171 CG TYR A 24 5.452 21.425 -9.639 1.00 0.00 ATOM 172 CD1 TYR A 24 5.039 20.946 -10.876 1.00 0.00 ATOM 173 CD2 TYR A 24 5.667 22.790 -9.498 1.00 0.00 ATOM 174 CE1 TYR A 24 4.844 21.799 -11.945 1.00 0.00 ATOM 175 CE2 TYR A 24 5.477 23.658 -10.556 1.00 0.00 ATOM 176 CZ TYR A 24 5.062 23.150 -11.787 1.00 0.00 ATOM 177 OH TYR A 24 4.869 24.001 -12.850 1.00 0.00 ATOM 178 O TYR A 24 8.169 19.899 -10.475 1.00 0.00 ATOM 179 C TYR A 24 7.464 19.294 -9.674 1.00 0.00 ATOM 180 N ILE A 25 7.040 18.038 -9.901 1.00 0.00 ATOM 181 CA ILE A 25 7.410 17.396 -11.129 1.00 0.00 ATOM 182 CB ILE A 25 6.906 15.942 -11.180 1.00 0.00 ATOM 183 CG1 ILE A 25 7.584 15.104 -10.095 1.00 0.00 ATOM 184 CG2 ILE A 25 7.213 15.319 -12.533 1.00 0.00 ATOM 185 CD1 ILE A 25 6.988 13.723 -9.927 1.00 0.00 ATOM 186 O ILE A 25 5.595 18.146 -12.453 1.00 0.00 ATOM 187 C ILE A 25 6.809 18.156 -12.262 1.00 0.00 ATOM 188 N GLY A 26 7.681 18.767 -13.091 1.00 0.00 ATOM 189 CA GLY A 26 7.284 19.575 -14.206 1.00 0.00 ATOM 190 O GLY A 26 7.761 21.836 -14.751 1.00 0.00 ATOM 191 C GLY A 26 7.565 21.011 -13.861 1.00 0.00 ATOM 192 N ASP A 27 7.529 21.352 -12.555 1.00 0.00 ATOM 193 CA ASP A 27 7.808 22.679 -12.054 1.00 0.00 ATOM 194 CB ASP A 27 7.214 22.860 -10.656 1.00 0.00 ATOM 195 CG ASP A 27 7.245 24.303 -10.192 1.00 0.00 ATOM 196 OD1 ASP A 27 6.649 25.160 -10.878 1.00 0.00 ATOM 197 OD2 ASP A 27 7.864 24.576 -9.142 1.00 0.00 ATOM 198 O ASP A 27 9.603 24.122 -11.837 1.00 0.00 ATOM 199 C ASP A 27 9.258 22.955 -11.956 1.00 0.00 ATOM 200 N LYS A 28 10.082 21.907 -11.762 1.00 0.00 ATOM 201 CA LYS A 28 11.518 21.975 -11.777 1.00 0.00 ATOM 202 CB LYS A 28 12.041 21.943 -13.215 1.00 0.00 ATOM 203 CG LYS A 28 11.812 20.622 -13.929 1.00 0.00 ATOM 204 CD LYS A 28 12.404 20.641 -15.329 1.00 0.00 ATOM 205 CE LYS A 28 12.159 19.326 -16.050 1.00 0.00 ATOM 206 NZ LYS A 28 12.722 19.335 -17.429 1.00 0.00 ATOM 207 O LYS A 28 12.300 24.219 -11.822 1.00 0.00 ATOM 208 C LYS A 28 12.064 23.227 -11.139 1.00 0.00 ATOM 209 N LYS A 29 12.186 23.274 -9.799 1.00 0.00 ATOM 210 CA LYS A 29 12.805 24.445 -9.244 1.00 0.00 ATOM 211 CB LYS A 29 12.754 24.405 -7.715 1.00 0.00 ATOM 212 CG LYS A 29 13.350 25.630 -7.042 1.00 0.00 ATOM 213 CD LYS A 29 12.538 26.878 -7.347 1.00 0.00 ATOM 214 CE LYS A 29 13.062 28.079 -6.577 1.00 0.00 ATOM 215 NZ LYS A 29 12.290 29.315 -6.884 1.00 0.00 ATOM 216 O LYS A 29 14.747 25.414 -10.234 1.00 0.00 ATOM 217 C LYS A 29 14.219 24.422 -9.732 1.00 0.00 ATOM 218 N LEU A 30 14.847 23.237 -9.598 1.00 0.00 ATOM 219 CA LEU A 30 16.179 22.942 -10.033 1.00 0.00 ATOM 220 CB LEU A 30 17.127 22.854 -8.835 1.00 0.00 ATOM 221 CG LEU A 30 17.337 24.145 -8.041 1.00 0.00 ATOM 222 CD1 LEU A 30 18.157 23.878 -6.788 1.00 0.00 ATOM 223 CD2 LEU A 30 18.073 25.178 -8.880 1.00 0.00 ATOM 224 O LEU A 30 14.985 21.298 -11.238 1.00 0.00 ATOM 225 C LEU A 30 16.050 21.633 -10.729 1.00 0.00 ATOM 226 N GLU A 31 17.134 20.846 -10.782 1.00 0.00 ATOM 227 CA GLU A 31 17.002 19.583 -11.439 1.00 0.00 ATOM 228 CB GLU A 31 18.333 18.829 -11.423 1.00 0.00 ATOM 229 CG GLU A 31 19.398 19.430 -12.325 1.00 0.00 ATOM 230 CD GLU A 31 20.737 18.732 -12.190 1.00 0.00 ATOM 231 OE1 GLU A 31 20.852 17.827 -11.338 1.00 0.00 ATOM 232 OE2 GLU A 31 21.672 19.090 -12.938 1.00 0.00 ATOM 233 O GLU A 31 15.153 18.108 -11.351 1.00 0.00 ATOM 234 C GLU A 31 15.958 18.784 -10.708 1.00 0.00 ATOM 235 N PRO A 32 15.927 18.821 -9.399 1.00 0.00 ATOM 236 CA PRO A 32 14.939 18.045 -8.689 1.00 0.00 ATOM 237 CB PRO A 32 15.469 17.995 -7.254 1.00 0.00 ATOM 238 CG PRO A 32 16.234 19.266 -7.094 1.00 0.00 ATOM 239 CD PRO A 32 16.882 19.533 -8.424 1.00 0.00 ATOM 240 O PRO A 32 13.346 19.800 -8.808 1.00 0.00 ATOM 241 C PRO A 32 13.539 18.592 -8.676 1.00 0.00 ATOM 242 N SER A 33 12.550 17.684 -8.537 1.00 0.00 ATOM 243 CA SER A 33 11.138 17.959 -8.488 1.00 0.00 ATOM 244 CB SER A 33 10.336 16.717 -8.882 1.00 0.00 ATOM 245 OG SER A 33 10.522 15.671 -7.944 1.00 0.00 ATOM 246 O SER A 33 9.508 18.514 -6.855 1.00 0.00 ATOM 247 C SER A 33 10.704 18.371 -7.108 1.00 0.00 ATOM 248 N GLY A 34 11.646 18.566 -6.168 1.00 0.00 ATOM 249 CA GLY A 34 11.256 18.838 -4.811 1.00 0.00 ATOM 250 O GLY A 34 10.557 20.977 -5.605 1.00 0.00 ATOM 251 C GLY A 34 10.470 20.111 -4.737 1.00 0.00 ATOM 252 N ILE A 35 9.660 20.236 -3.664 1.00 0.00 ATOM 253 CA ILE A 35 8.853 21.399 -3.431 1.00 0.00 ATOM 254 CB ILE A 35 7.513 21.032 -2.766 1.00 0.00 ATOM 255 CG1 ILE A 35 6.744 20.033 -3.632 1.00 0.00 ATOM 256 CG2 ILE A 35 6.653 22.273 -2.581 1.00 0.00 ATOM 257 CD1 ILE A 35 6.406 20.555 -5.012 1.00 0.00 ATOM 258 O ILE A 35 10.146 21.845 -1.496 1.00 0.00 ATOM 259 C ILE A 35 9.647 22.291 -2.528 1.00 0.00 ATOM 260 N PHE A 36 9.802 23.578 -2.906 1.00 0.00 ATOM 261 CA PHE A 36 10.585 24.485 -2.111 1.00 0.00 ATOM 262 CB PHE A 36 11.764 25.027 -2.922 1.00 0.00 ATOM 263 CG PHE A 36 12.753 23.974 -3.331 1.00 0.00 ATOM 264 CD1 PHE A 36 12.645 23.341 -4.557 1.00 0.00 ATOM 265 CD2 PHE A 36 13.792 23.615 -2.490 1.00 0.00 ATOM 266 CE1 PHE A 36 13.555 22.372 -4.934 1.00 0.00 ATOM 267 CE2 PHE A 36 14.703 22.646 -2.867 1.00 0.00 ATOM 268 CZ PHE A 36 14.588 22.026 -4.083 1.00 0.00 ATOM 269 O PHE A 36 8.799 26.036 -2.353 1.00 0.00 ATOM 270 C PHE A 36 9.738 25.634 -1.668 1.00 0.00 ATOM 271 N VAL A 37 10.058 26.183 -0.476 1.00 0.00 ATOM 272 CA VAL A 37 9.351 27.321 0.038 1.00 0.00 ATOM 273 CB VAL A 37 9.441 27.395 1.574 1.00 0.00 ATOM 274 CG1 VAL A 37 8.731 28.637 2.089 1.00 0.00 ATOM 275 CG2 VAL A 37 8.792 26.173 2.205 1.00 0.00 ATOM 276 O VAL A 37 11.142 28.848 -0.341 1.00 0.00 ATOM 277 C VAL A 37 9.966 28.558 -0.553 1.00 0.00 ATOM 278 N LYS A 38 9.173 29.263 -1.387 1.00 0.00 ATOM 279 CA LYS A 38 9.529 30.480 -2.065 1.00 0.00 ATOM 280 CB LYS A 38 8.598 30.723 -3.254 1.00 0.00 ATOM 281 CG LYS A 38 8.948 31.953 -4.076 1.00 0.00 ATOM 282 CD LYS A 38 8.097 32.038 -5.333 1.00 0.00 ATOM 283 CE LYS A 38 8.451 33.265 -6.157 1.00 0.00 ATOM 284 NZ LYS A 38 7.660 33.335 -7.417 1.00 0.00 ATOM 285 O LYS A 38 10.315 32.569 -1.265 1.00 0.00 ATOM 286 C LYS A 38 9.448 31.700 -1.197 1.00 0.00 ATOM 287 N SER A 39 8.383 31.828 -0.380 1.00 0.00 ATOM 288 CA SER A 39 8.264 33.044 0.375 1.00 0.00 ATOM 289 CB SER A 39 7.562 34.122 -0.453 1.00 0.00 ATOM 290 OG SER A 39 6.215 33.769 -0.714 1.00 0.00 ATOM 291 O SER A 39 6.740 31.812 1.721 1.00 0.00 ATOM 292 C SER A 39 7.470 32.797 1.611 1.00 0.00 ATOM 293 N ILE A 40 7.623 33.707 2.595 1.00 0.00 ATOM 294 CA ILE A 40 6.871 33.636 3.810 1.00 0.00 ATOM 295 CB ILE A 40 7.792 33.633 5.044 1.00 0.00 ATOM 296 CG1 ILE A 40 8.725 32.421 5.010 1.00 0.00 ATOM 297 CG2 ILE A 40 6.969 33.572 6.322 1.00 0.00 ATOM 298 CD1 ILE A 40 9.805 32.452 6.070 1.00 0.00 ATOM 299 O ILE A 40 6.487 35.978 3.745 1.00 0.00 ATOM 300 C ILE A 40 5.997 34.851 3.811 1.00 0.00 ATOM 301 N THR A 41 4.666 34.643 3.876 1.00 0.00 ATOM 302 CA THR A 41 3.737 35.732 3.786 1.00 0.00 ATOM 303 CB THR A 41 2.319 35.238 3.444 1.00 0.00 ATOM 304 CG2 THR A 41 1.348 36.407 3.381 1.00 0.00 ATOM 305 OG1 THR A 41 2.334 34.578 2.172 1.00 0.00 ATOM 306 O THR A 41 3.802 35.856 6.163 1.00 0.00 ATOM 307 C THR A 41 3.683 36.452 5.094 1.00 0.00 ATOM 308 N LYS A 42 3.486 37.781 5.029 1.00 0.00 ATOM 309 CA LYS A 42 3.448 38.594 6.207 1.00 0.00 ATOM 310 CB LYS A 42 3.446 40.078 5.834 1.00 0.00 ATOM 311 CG LYS A 42 4.748 40.565 5.220 1.00 0.00 ATOM 312 CD LYS A 42 4.692 42.053 4.915 1.00 0.00 ATOM 313 CE LYS A 42 5.976 42.531 4.256 1.00 0.00 ATOM 314 NZ LYS A 42 5.943 43.991 3.969 1.00 0.00 ATOM 315 O LYS A 42 1.122 38.142 6.429 1.00 0.00 ATOM 316 C LYS A 42 2.208 38.290 6.989 1.00 0.00 ATOM 317 N SER A 43 2.370 38.236 8.328 1.00 0.00 ATOM 318 CA SER A 43 1.342 38.022 9.312 1.00 0.00 ATOM 319 CB SER A 43 0.149 38.944 9.050 1.00 0.00 ATOM 320 OG SER A 43 0.527 40.306 9.146 1.00 0.00 ATOM 321 O SER A 43 -0.142 36.313 10.007 1.00 0.00 ATOM 322 C SER A 43 0.825 36.613 9.312 1.00 0.00 ATOM 323 N SER A 44 1.479 35.688 8.589 1.00 0.00 ATOM 324 CA SER A 44 1.010 34.332 8.539 1.00 0.00 ATOM 325 CB SER A 44 1.432 33.667 7.227 1.00 0.00 ATOM 326 OG SER A 44 2.838 33.504 7.167 1.00 0.00 ATOM 327 O SER A 44 2.425 34.064 10.434 1.00 0.00 ATOM 328 C SER A 44 1.591 33.560 9.685 1.00 0.00 ATOM 329 N ALA A 45 1.137 32.299 9.847 1.00 0.00 ATOM 330 CA ALA A 45 1.568 31.444 10.918 1.00 0.00 ATOM 331 CB ALA A 45 0.810 30.126 10.882 1.00 0.00 ATOM 332 O ALA A 45 3.755 31.150 11.786 1.00 0.00 ATOM 333 C ALA A 45 3.032 31.158 10.792 1.00 0.00 ATOM 334 N VAL A 46 3.512 30.917 9.558 1.00 0.00 ATOM 335 CA VAL A 46 4.888 30.565 9.351 1.00 0.00 ATOM 336 CB VAL A 46 5.182 30.286 7.865 1.00 0.00 ATOM 337 CG1 VAL A 46 6.676 30.112 7.641 1.00 0.00 ATOM 338 CG2 VAL A 46 4.477 29.017 7.412 1.00 0.00 ATOM 339 O VAL A 46 6.796 31.452 10.442 1.00 0.00 ATOM 340 C VAL A 46 5.771 31.686 9.802 1.00 0.00 ATOM 341 N GLU A 47 5.396 32.937 9.486 1.00 0.00 ATOM 342 CA GLU A 47 6.210 34.064 9.844 1.00 0.00 ATOM 343 CB GLU A 47 5.615 35.356 9.280 1.00 0.00 ATOM 344 CG GLU A 47 6.447 36.596 9.559 1.00 0.00 ATOM 345 CD GLU A 47 5.857 37.846 8.936 1.00 0.00 ATOM 346 OE1 GLU A 47 4.806 37.739 8.271 1.00 0.00 ATOM 347 OE2 GLU A 47 6.445 38.933 9.114 1.00 0.00 ATOM 348 O GLU A 47 7.365 34.396 11.889 1.00 0.00 ATOM 349 C GLU A 47 6.288 34.179 11.335 1.00 0.00 ATOM 350 N HIS A 48 5.153 34.017 12.041 1.00 0.00 ATOM 351 CA HIS A 48 5.215 34.193 13.464 1.00 0.00 ATOM 352 CB HIS A 48 3.819 34.079 14.079 1.00 0.00 ATOM 353 CG HIS A 48 3.798 34.254 15.566 1.00 0.00 ATOM 354 CD2 HIS A 48 3.600 33.378 16.712 1.00 0.00 ATOM 355 ND1 HIS A 48 3.995 35.474 16.175 1.00 0.00 ATOM 356 CE1 HIS A 48 3.919 35.316 17.508 1.00 0.00 ATOM 357 NE2 HIS A 48 3.683 34.060 17.837 1.00 0.00 ATOM 358 O HIS A 48 6.924 33.439 14.922 1.00 0.00 ATOM 359 C HIS A 48 6.093 33.144 14.063 1.00 0.00 ATOM 360 N ASP A 49 5.931 31.885 13.618 1.00 0.00 ATOM 361 CA ASP A 49 6.683 30.797 14.174 1.00 0.00 ATOM 362 CB ASP A 49 6.291 29.478 13.505 1.00 0.00 ATOM 363 CG ASP A 49 7.008 28.285 14.106 1.00 0.00 ATOM 364 OD1 ASP A 49 6.823 28.027 15.314 1.00 0.00 ATOM 365 OD2 ASP A 49 7.755 27.607 13.369 1.00 0.00 ATOM 366 O ASP A 49 8.947 30.965 14.866 1.00 0.00 ATOM 367 C ASP A 49 8.139 31.062 13.943 1.00 0.00 ATOM 368 N GLY A 50 8.509 31.395 12.691 1.00 0.00 ATOM 369 CA GLY A 50 9.851 31.803 12.384 1.00 0.00 ATOM 370 O GLY A 50 11.844 30.858 11.529 1.00 0.00 ATOM 371 C GLY A 50 10.738 30.645 12.022 1.00 0.00 ATOM 372 N ARG A 51 10.312 29.392 12.270 1.00 0.00 ATOM 373 CA ARG A 51 11.168 28.270 11.980 1.00 0.00 ATOM 374 CB ARG A 51 10.587 26.985 12.573 1.00 0.00 ATOM 375 CG ARG A 51 10.660 26.913 14.090 1.00 0.00 ATOM 376 CD ARG A 51 9.996 25.651 14.615 1.00 0.00 ATOM 377 NE ARG A 51 10.054 25.568 16.073 1.00 0.00 ATOM 378 CZ ARG A 51 9.481 24.607 16.790 1.00 0.00 ATOM 379 NH1 ARG A 51 9.587 24.613 18.112 1.00 0.00 ATOM 380 NH2 ARG A 51 8.805 23.641 16.184 1.00 0.00 ATOM 381 O ARG A 51 12.450 27.759 10.044 1.00 0.00 ATOM 382 C ARG A 51 11.343 28.042 10.503 1.00 0.00 ATOM 383 N ILE A 52 10.257 28.169 9.713 1.00 0.00 ATOM 384 CA ILE A 52 10.318 27.890 8.303 1.00 0.00 ATOM 385 CB ILE A 52 8.911 27.740 7.696 1.00 0.00 ATOM 386 CG1 ILE A 52 8.190 26.538 8.311 1.00 0.00 ATOM 387 CG2 ILE A 52 8.999 27.532 6.192 1.00 0.00 ATOM 388 CD1 ILE A 52 6.719 26.466 7.965 1.00 0.00 ATOM 389 O ILE A 52 10.823 30.186 7.950 1.00 0.00 ATOM 390 C ILE A 52 11.020 29.018 7.618 1.00 0.00 ATOM 391 N GLN A 53 11.899 28.686 6.652 1.00 0.00 ATOM 392 CA GLN A 53 12.634 29.714 5.975 1.00 0.00 ATOM 393 CB GLN A 53 14.093 29.721 6.435 1.00 0.00 ATOM 394 CG GLN A 53 14.276 30.020 7.915 1.00 0.00 ATOM 395 CD GLN A 53 15.734 30.040 8.329 1.00 0.00 ATOM 396 OE1 GLN A 53 16.613 29.650 7.561 1.00 0.00 ATOM 397 NE2 GLN A 53 15.994 30.497 9.549 1.00 0.00 ATOM 398 O GLN A 53 12.366 28.339 4.053 1.00 0.00 ATOM 399 C GLN A 53 12.585 29.460 4.507 1.00 0.00 ATOM 400 N ILE A 54 12.786 30.532 3.721 1.00 0.00 ATOM 401 CA ILE A 54 12.767 30.418 2.298 1.00 0.00 ATOM 402 CB ILE A 54 12.897 31.794 1.620 1.00 0.00 ATOM 403 CG1 ILE A 54 11.681 32.665 1.942 1.00 0.00 ATOM 404 CG2 ILE A 54 12.991 31.637 0.110 1.00 0.00 ATOM 405 CD1 ILE A 54 11.841 34.113 1.533 1.00 0.00 ATOM 406 O ILE A 54 15.027 29.700 2.468 1.00 0.00 ATOM 407 C ILE A 54 13.931 29.551 1.930 1.00 0.00 ATOM 408 N GLY A 55 13.701 28.585 1.018 1.00 0.00 ATOM 409 CA GLY A 55 14.755 27.718 0.579 1.00 0.00 ATOM 410 O GLY A 55 15.247 25.409 0.769 1.00 0.00 ATOM 411 C GLY A 55 14.577 26.357 1.177 1.00 0.00 ATOM 412 N ASP A 56 13.669 26.208 2.159 1.00 0.00 ATOM 413 CA ASP A 56 13.479 24.912 2.741 1.00 0.00 ATOM 414 CB ASP A 56 12.643 25.016 4.018 1.00 0.00 ATOM 415 CG ASP A 56 13.414 25.630 5.170 1.00 0.00 ATOM 416 OD1 ASP A 56 14.646 25.787 5.044 1.00 0.00 ATOM 417 OD2 ASP A 56 12.785 25.955 6.199 1.00 0.00 ATOM 418 O ASP A 56 12.041 24.550 0.880 1.00 0.00 ATOM 419 C ASP A 56 12.767 24.053 1.741 1.00 0.00 ATOM 420 N GLN A 57 12.991 22.724 1.815 1.00 0.00 ATOM 421 CA GLN A 57 12.297 21.821 0.943 1.00 0.00 ATOM 422 CB GLN A 57 13.258 20.767 0.389 1.00 0.00 ATOM 423 CG GLN A 57 12.622 19.811 -0.608 1.00 0.00 ATOM 424 CD GLN A 57 13.620 18.832 -1.193 1.00 0.00 ATOM 425 OE1 GLN A 57 14.813 18.893 -0.895 1.00 0.00 ATOM 426 NE2 GLN A 57 13.134 17.923 -2.031 1.00 0.00 ATOM 427 O GLN A 57 11.489 20.761 2.904 1.00 0.00 ATOM 428 C GLN A 57 11.236 21.184 1.776 1.00 0.00 ATOM 429 N ILE A 58 10.009 21.093 1.231 1.00 0.00 ATOM 430 CA ILE A 58 8.931 20.550 2.000 1.00 0.00 ATOM 431 CB ILE A 58 7.599 21.255 1.681 1.00 0.00 ATOM 432 CG1 ILE A 58 7.704 22.752 1.978 1.00 0.00 ATOM 433 CG2 ILE A 58 6.474 20.674 2.524 1.00 0.00 ATOM 434 CD1 ILE A 58 6.520 23.556 1.487 1.00 0.00 ATOM 435 O ILE A 58 8.362 18.713 0.589 1.00 0.00 ATOM 436 C ILE A 58 8.803 19.096 1.673 1.00 0.00 ATOM 437 N ILE A 59 9.271 18.254 2.619 1.00 0.00 ATOM 438 CA ILE A 59 9.255 16.823 2.507 1.00 0.00 ATOM 439 CB ILE A 59 10.119 16.162 3.597 1.00 0.00 ATOM 440 CG1 ILE A 59 11.598 16.487 3.376 1.00 0.00 ATOM 441 CG2 ILE A 59 9.949 14.651 3.568 1.00 0.00 ATOM 442 CD1 ILE A 59 12.487 16.105 4.538 1.00 0.00 ATOM 443 O ILE A 59 7.468 15.407 1.870 1.00 0.00 ATOM 444 C ILE A 59 7.868 16.273 2.644 1.00 0.00 ATOM 445 N ALA A 60 7.091 16.736 3.647 1.00 0.00 ATOM 446 CA ALA A 60 5.797 16.134 3.809 1.00 0.00 ATOM 447 CB ALA A 60 5.916 14.816 4.559 1.00 0.00 ATOM 448 O ALA A 60 5.336 17.927 5.307 1.00 0.00 ATOM 449 C ALA A 60 4.893 17.038 4.581 1.00 0.00 ATOM 450 N VAL A 61 3.574 16.838 4.383 1.00 0.00 ATOM 451 CA VAL A 61 2.564 17.500 5.148 1.00 0.00 ATOM 452 CB VAL A 61 1.663 18.375 4.256 1.00 0.00 ATOM 453 CG1 VAL A 61 0.575 19.039 5.087 1.00 0.00 ATOM 454 CG2 VAL A 61 2.481 19.463 3.577 1.00 0.00 ATOM 455 O VAL A 61 1.297 15.516 5.038 1.00 0.00 ATOM 456 C VAL A 61 1.803 16.375 5.760 1.00 0.00 ATOM 457 N ASP A 62 1.684 16.365 7.104 1.00 0.00 ATOM 458 CA ASP A 62 1.040 15.271 7.771 1.00 0.00 ATOM 459 CB ASP A 62 -0.462 15.275 7.479 1.00 0.00 ATOM 460 CG ASP A 62 -1.234 14.339 8.388 1.00 0.00 ATOM 461 OD1 ASP A 62 -1.124 14.486 9.624 1.00 0.00 ATOM 462 OD2 ASP A 62 -1.950 13.459 7.865 1.00 0.00 ATOM 463 O ASP A 62 2.873 13.852 7.216 1.00 0.00 ATOM 464 C ASP A 62 1.653 13.996 7.264 1.00 0.00 ATOM 465 N GLY A 63 0.787 13.028 6.911 1.00 0.00 ATOM 466 CA GLY A 63 1.133 11.732 6.395 1.00 0.00 ATOM 467 O GLY A 63 2.470 10.912 4.618 1.00 0.00 ATOM 468 C GLY A 63 1.694 11.787 4.999 1.00 0.00 ATOM 469 N THR A 64 1.268 12.778 4.183 1.00 0.00 ATOM 470 CA THR A 64 1.588 12.827 2.775 1.00 0.00 ATOM 471 CB THR A 64 0.749 13.890 2.042 1.00 0.00 ATOM 472 CG2 THR A 64 1.091 13.911 0.560 1.00 0.00 ATOM 473 OG1 THR A 64 -0.644 13.591 2.192 1.00 0.00 ATOM 474 O THR A 64 3.578 14.122 3.038 1.00 0.00 ATOM 475 C THR A 64 3.029 13.162 2.499 1.00 0.00 ATOM 476 N ASN A 65 3.660 12.380 1.587 1.00 0.00 ATOM 477 CA ASN A 65 5.037 12.569 1.201 1.00 0.00 ATOM 478 CB ASN A 65 5.723 11.219 0.986 1.00 0.00 ATOM 479 CG ASN A 65 7.198 11.359 0.663 1.00 0.00 ATOM 480 ND2 ASN A 65 7.950 10.282 0.857 1.00 0.00 ATOM 481 OD1 ASN A 65 7.653 12.424 0.244 1.00 0.00 ATOM 482 O ASN A 65 4.572 12.920 -1.117 1.00 0.00 ATOM 483 C ASN A 65 5.065 13.358 -0.081 1.00 0.00 ATOM 484 N LEU A 66 5.607 14.585 0.022 1.00 0.00 ATOM 485 CA LEU A 66 5.801 15.622 -0.958 1.00 0.00 ATOM 486 CB LEU A 66 5.960 16.982 -0.275 1.00 0.00 ATOM 487 CG LEU A 66 4.749 17.493 0.508 1.00 0.00 ATOM 488 CD1 LEU A 66 5.081 18.795 1.221 1.00 0.00 ATOM 489 CD2 LEU A 66 3.574 17.747 -0.424 1.00 0.00 ATOM 490 O LEU A 66 7.262 16.251 -2.710 1.00 0.00 ATOM 491 C LEU A 66 7.013 15.438 -1.822 1.00 0.00 ATOM 492 N GLN A 67 7.858 14.438 -1.532 1.00 0.00 ATOM 493 CA GLN A 67 9.126 14.306 -2.189 1.00 0.00 ATOM 494 CB GLN A 67 9.832 13.026 -1.739 1.00 0.00 ATOM 495 CG GLN A 67 11.236 12.861 -2.298 1.00 0.00 ATOM 496 CD GLN A 67 12.184 13.944 -1.820 1.00 0.00 ATOM 497 OE1 GLN A 67 12.222 14.269 -0.634 1.00 0.00 ATOM 498 NE2 GLN A 67 12.952 14.506 -2.746 1.00 0.00 ATOM 499 O GLN A 67 9.838 14.784 -4.387 1.00 0.00 ATOM 500 C GLN A 67 8.984 14.245 -3.684 1.00 0.00 ATOM 501 N GLY A 68 7.952 13.581 -4.244 1.00 0.00 ATOM 502 CA GLY A 68 7.890 13.605 -5.681 1.00 0.00 ATOM 503 O GLY A 68 5.801 12.677 -6.318 1.00 0.00 ATOM 504 C GLY A 68 6.463 13.696 -6.126 1.00 0.00 ATOM 505 N PHE A 69 5.963 14.931 -6.348 1.00 0.00 ATOM 506 CA PHE A 69 4.612 15.086 -6.808 1.00 0.00 ATOM 507 CB PHE A 69 3.644 15.125 -5.624 1.00 0.00 ATOM 508 CG PHE A 69 3.857 16.295 -4.706 1.00 0.00 ATOM 509 CD1 PHE A 69 3.146 17.469 -4.881 1.00 0.00 ATOM 510 CD2 PHE A 69 4.767 16.220 -3.666 1.00 0.00 ATOM 511 CE1 PHE A 69 3.342 18.545 -4.036 1.00 0.00 ATOM 512 CE2 PHE A 69 4.963 17.296 -2.821 1.00 0.00 ATOM 513 CZ PHE A 69 4.255 18.455 -3.003 1.00 0.00 ATOM 514 O PHE A 69 5.447 17.147 -7.652 1.00 0.00 ATOM 515 C PHE A 69 4.500 16.367 -7.577 1.00 0.00 ATOM 516 N THR A 70 3.325 16.590 -8.201 1.00 0.00 ATOM 517 CA THR A 70 3.073 17.779 -8.962 1.00 0.00 ATOM 518 CB THR A 70 1.896 17.586 -9.937 1.00 0.00 ATOM 519 CG2 THR A 70 2.168 16.422 -10.876 1.00 0.00 ATOM 520 OG1 THR A 70 0.699 17.316 -9.198 1.00 0.00 ATOM 521 O THR A 70 2.442 18.615 -6.827 1.00 0.00 ATOM 522 C THR A 70 2.745 18.872 -7.992 1.00 0.00 ATOM 523 N ASN A 71 2.801 20.137 -8.457 1.00 0.00 ATOM 524 CA ASN A 71 2.590 21.243 -7.562 1.00 0.00 ATOM 525 CB ASN A 71 2.786 22.571 -8.296 1.00 0.00 ATOM 526 CG ASN A 71 2.721 23.766 -7.365 1.00 0.00 ATOM 527 ND2 ASN A 71 1.732 24.627 -7.578 1.00 0.00 ATOM 528 OD1 ASN A 71 3.550 23.912 -6.467 1.00 0.00 ATOM 529 O ASN A 71 0.920 21.360 -5.913 1.00 0.00 ATOM 530 C ASN A 71 1.208 21.114 -7.080 1.00 0.00 ATOM 531 N GLN A 72 0.316 20.723 -8.003 1.00 0.00 ATOM 532 CA GLN A 72 -1.074 20.724 -7.682 1.00 0.00 ATOM 533 CB GLN A 72 -1.897 20.202 -8.862 1.00 0.00 ATOM 534 CG GLN A 72 -1.948 21.148 -10.050 1.00 0.00 ATOM 535 CD GLN A 72 -2.675 20.552 -11.239 1.00 0.00 ATOM 536 OE1 GLN A 72 -3.070 19.386 -11.216 1.00 0.00 ATOM 537 NE2 GLN A 72 -2.852 21.351 -12.284 1.00 0.00 ATOM 538 O GLN A 72 -2.061 20.190 -5.607 1.00 0.00 ATOM 539 C GLN A 72 -1.290 19.844 -6.501 1.00 0.00 ATOM 540 N GLN A 73 -0.619 18.680 -6.453 1.00 0.00 ATOM 541 CA GLN A 73 -0.815 17.838 -5.311 1.00 0.00 ATOM 542 CB GLN A 73 -0.106 16.496 -5.506 1.00 0.00 ATOM 543 CG GLN A 73 -0.741 15.606 -6.562 1.00 0.00 ATOM 544 CD GLN A 73 0.050 14.337 -6.807 1.00 0.00 ATOM 545 OE1 GLN A 73 1.138 14.157 -6.260 1.00 0.00 ATOM 546 NE2 GLN A 73 -0.495 13.451 -7.632 1.00 0.00 ATOM 547 O GLN A 73 -0.869 18.416 -3.017 1.00 0.00 ATOM 548 C GLN A 73 -0.264 18.494 -4.084 1.00 0.00 ATOM 549 N ALA A 74 0.902 19.159 -4.192 1.00 0.00 ATOM 550 CA ALA A 74 1.509 19.748 -3.029 1.00 0.00 ATOM 551 CB ALA A 74 2.845 20.380 -3.390 1.00 0.00 ATOM 552 O ALA A 74 0.410 20.893 -1.256 1.00 0.00 ATOM 553 C ALA A 74 0.609 20.807 -2.468 1.00 0.00 ATOM 554 N VAL A 75 0.029 21.651 -3.340 1.00 0.00 ATOM 555 CA VAL A 75 -0.830 22.700 -2.867 1.00 0.00 ATOM 556 CB VAL A 75 -1.299 23.608 -4.019 1.00 0.00 ATOM 557 CG1 VAL A 75 -2.359 24.584 -3.531 1.00 0.00 ATOM 558 CG2 VAL A 75 -0.131 24.406 -4.578 1.00 0.00 ATOM 559 O VAL A 75 -2.489 22.551 -1.169 1.00 0.00 ATOM 560 C VAL A 75 -2.034 22.091 -2.216 1.00 0.00 ATOM 561 N GLU A 76 -2.572 21.018 -2.822 1.00 0.00 ATOM 562 CA GLU A 76 -3.770 20.381 -2.353 1.00 0.00 ATOM 563 CB GLU A 76 -4.147 19.211 -3.265 1.00 0.00 ATOM 564 CG GLU A 76 -4.650 19.631 -4.636 1.00 0.00 ATOM 565 CD GLU A 76 -4.897 18.449 -5.553 1.00 0.00 ATOM 566 OE1 GLU A 76 -4.604 17.307 -5.141 1.00 0.00 ATOM 567 OE2 GLU A 76 -5.382 18.665 -6.683 1.00 0.00 ATOM 568 O GLU A 76 -4.388 19.998 -0.092 1.00 0.00 ATOM 569 C GLU A 76 -3.532 19.871 -0.965 1.00 0.00 ATOM 570 N VAL A 77 -2.338 19.301 -0.723 1.00 0.00 ATOM 571 CA VAL A 77 -2.016 18.725 0.548 1.00 0.00 ATOM 572 CB VAL A 77 -0.603 18.112 0.548 1.00 0.00 ATOM 573 CG1 VAL A 77 -0.207 17.687 1.954 1.00 0.00 ATOM 574 CG2 VAL A 77 -0.553 16.890 -0.356 1.00 0.00 ATOM 575 O VAL A 77 -2.566 19.540 2.704 1.00 0.00 ATOM 576 C VAL A 77 -2.073 19.784 1.605 1.00 0.00 ATOM 577 N LEU A 78 -1.552 20.988 1.305 1.00 0.00 ATOM 578 CA LEU A 78 -1.539 22.060 2.263 1.00 0.00 ATOM 579 CB LEU A 78 -0.786 23.269 1.704 1.00 0.00 ATOM 580 CG LEU A 78 0.727 23.108 1.541 1.00 0.00 ATOM 581 CD1 LEU A 78 1.319 24.306 0.813 1.00 0.00 ATOM 582 CD2 LEU A 78 1.405 22.994 2.898 1.00 0.00 ATOM 583 O LEU A 78 -3.276 22.758 3.728 1.00 0.00 ATOM 584 C LEU A 78 -2.949 22.470 2.580 1.00 0.00 ATOM 585 N ARG A 79 -3.815 22.527 1.551 1.00 0.00 ATOM 586 CA ARG A 79 -5.181 22.949 1.694 1.00 0.00 ATOM 587 CB ARG A 79 -5.852 23.066 0.324 1.00 0.00 ATOM 588 CG ARG A 79 -5.361 24.238 -0.510 1.00 0.00 ATOM 589 CD ARG A 79 -6.010 24.249 -1.884 1.00 0.00 ATOM 590 NE ARG A 79 -5.544 25.368 -2.700 1.00 0.00 ATOM 591 CZ ARG A 79 -5.894 25.564 -3.967 1.00 0.00 ATOM 592 NH1 ARG A 79 -5.421 26.610 -4.631 1.00 0.00 ATOM 593 NH2 ARG A 79 -6.716 24.714 -4.568 1.00 0.00 ATOM 594 O ARG A 79 -6.838 22.397 3.302 1.00 0.00 ATOM 595 C ARG A 79 -5.989 21.986 2.512 1.00 0.00 ATOM 596 N HIS A 80 -5.747 20.676 2.348 1.00 0.00 ATOM 597 CA HIS A 80 -6.533 19.659 2.991 1.00 0.00 ATOM 598 CB HIS A 80 -6.109 18.270 2.510 1.00 0.00 ATOM 599 CG HIS A 80 -6.515 17.969 1.101 1.00 0.00 ATOM 600 CD2 HIS A 80 -7.339 18.624 0.095 1.00 0.00 ATOM 601 ND1 HIS A 80 -6.100 16.838 0.432 1.00 0.00 ATOM 602 CE1 HIS A 80 -6.624 16.844 -0.807 1.00 0.00 ATOM 603 NE2 HIS A 80 -7.368 17.913 -1.016 1.00 0.00 ATOM 604 O HIS A 80 -7.252 19.149 5.181 1.00 0.00 ATOM 605 C HIS A 80 -6.392 19.675 4.481 1.00 0.00 ATOM 606 N THR A 81 -5.301 20.239 5.018 1.00 0.00 ATOM 607 CA THR A 81 -5.042 20.158 6.430 1.00 0.00 ATOM 608 CB THR A 81 -3.627 20.659 6.774 1.00 0.00 ATOM 609 CG2 THR A 81 -2.579 19.851 6.025 1.00 0.00 ATOM 610 OG1 THR A 81 -3.502 22.038 6.403 1.00 0.00 ATOM 611 O THR A 81 -6.620 21.927 6.795 1.00 0.00 ATOM 612 C THR A 81 -5.994 20.975 7.259 1.00 0.00 ATOM 613 N GLY A 82 -6.095 20.586 8.552 1.00 0.00 ATOM 614 CA GLY A 82 -6.961 21.192 9.526 1.00 0.00 ATOM 615 O GLY A 82 -5.307 22.891 9.597 1.00 0.00 ATOM 616 C GLY A 82 -6.212 22.305 10.189 1.00 0.00 ATOM 617 N GLN A 83 -6.598 22.644 11.438 1.00 0.00 ATOM 618 CA GLN A 83 -6.001 23.750 12.135 1.00 0.00 ATOM 619 CB GLN A 83 -6.735 24.013 13.451 1.00 0.00 ATOM 620 CG GLN A 83 -8.136 24.578 13.278 1.00 0.00 ATOM 621 CD GLN A 83 -8.873 24.721 14.595 1.00 0.00 ATOM 622 OE1 GLN A 83 -8.379 24.305 15.643 1.00 0.00 ATOM 623 NE2 GLN A 83 -10.061 25.312 14.545 1.00 0.00 ATOM 624 O GLN A 83 -3.718 24.368 12.254 1.00 0.00 ATOM 625 C GLN A 83 -4.558 23.493 12.461 1.00 0.00 ATOM 626 N THR A 84 -4.210 22.288 12.960 1.00 0.00 ATOM 627 CA THR A 84 -2.834 22.046 13.299 1.00 0.00 ATOM 628 CB THR A 84 -2.707 21.254 14.614 1.00 0.00 ATOM 629 CG2 THR A 84 -1.245 20.988 14.936 1.00 0.00 ATOM 630 OG1 THR A 84 -3.289 22.006 15.686 1.00 0.00 ATOM 631 O THR A 84 -2.837 20.274 11.733 1.00 0.00 ATOM 632 C THR A 84 -2.251 21.260 12.172 1.00 0.00 ATOM 633 N VAL A 85 -1.075 21.690 11.667 1.00 0.00 ATOM 634 CA VAL A 85 -0.517 21.031 10.523 1.00 0.00 ATOM 635 CB VAL A 85 -0.553 21.936 9.277 1.00 0.00 ATOM 636 CG1 VAL A 85 0.076 21.228 8.087 1.00 0.00 ATOM 637 CG2 VAL A 85 -1.987 22.295 8.921 1.00 0.00 ATOM 638 O VAL A 85 1.690 21.467 11.297 1.00 0.00 ATOM 639 C VAL A 85 0.907 20.663 10.795 1.00 0.00 ATOM 640 N LEU A 86 1.275 19.414 10.437 1.00 0.00 ATOM 641 CA LEU A 86 2.612 18.936 10.630 1.00 0.00 ATOM 642 CB LEU A 86 2.602 17.451 10.996 1.00 0.00 ATOM 643 CG LEU A 86 1.869 17.075 12.285 1.00 0.00 ATOM 644 CD1 LEU A 86 1.872 15.567 12.486 1.00 0.00 ATOM 645 CD2 LEU A 86 2.538 17.717 13.491 1.00 0.00 ATOM 646 O LEU A 86 2.893 18.705 8.283 1.00 0.00 ATOM 647 C LEU A 86 3.340 19.146 9.342 1.00 0.00 ATOM 648 N LEU A 87 4.488 19.847 9.406 1.00 0.00 ATOM 649 CA LEU A 87 5.257 20.107 8.224 1.00 0.00 ATOM 650 CB LEU A 87 5.298 21.608 7.931 1.00 0.00 ATOM 651 CG LEU A 87 3.949 22.286 7.677 1.00 0.00 ATOM 652 CD1 LEU A 87 4.123 23.790 7.532 1.00 0.00 ATOM 653 CD2 LEU A 87 3.312 21.755 6.402 1.00 0.00 ATOM 654 O LEU A 87 7.234 19.866 9.517 1.00 0.00 ATOM 655 C LEU A 87 6.640 19.594 8.475 1.00 0.00 ATOM 656 N THR A 88 7.186 18.817 7.520 1.00 0.00 ATOM 657 CA THR A 88 8.517 18.302 7.667 1.00 0.00 ATOM 658 CB THR A 88 8.536 16.763 7.614 1.00 0.00 ATOM 659 CG2 THR A 88 9.957 16.242 7.764 1.00 0.00 ATOM 660 OG1 THR A 88 7.733 16.235 8.677 1.00 0.00 ATOM 661 O THR A 88 8.932 18.728 5.374 1.00 0.00 ATOM 662 C THR A 88 9.314 18.862 6.537 1.00 0.00 ATOM 663 N LEU A 89 10.447 19.518 6.849 1.00 0.00 ATOM 664 CA LEU A 89 11.216 20.115 5.799 1.00 0.00 ATOM 665 CB LEU A 89 10.996 21.629 5.768 1.00 0.00 ATOM 666 CG LEU A 89 11.331 22.389 7.053 1.00 0.00 ATOM 667 CD1 LEU A 89 12.818 22.701 7.121 1.00 0.00 ATOM 668 CD2 LEU A 89 10.567 23.702 7.116 1.00 0.00 ATOM 669 O LEU A 89 13.119 19.558 7.112 1.00 0.00 ATOM 670 C LEU A 89 12.668 19.853 6.005 1.00 0.00 ATOM 671 N MET A 90 13.435 19.913 4.898 1.00 0.00 ATOM 672 CA MET A 90 14.852 19.765 5.010 1.00 0.00 ATOM 673 CB MET A 90 15.364 18.733 4.003 1.00 0.00 ATOM 674 CG MET A 90 16.859 18.470 4.090 1.00 0.00 ATOM 675 SD MET A 90 17.414 17.218 2.917 1.00 0.00 ATOM 676 CE MET A 90 16.828 15.725 3.714 1.00 0.00 ATOM 677 O MET A 90 15.052 21.789 3.781 1.00 0.00 ATOM 678 C MET A 90 15.443 21.106 4.728 1.00 0.00 ATOM 679 N ARG A 91 16.399 21.522 5.577 1.00 0.00 ATOM 680 CA ARG A 91 17.020 22.801 5.431 1.00 0.00 ATOM 681 CB ARG A 91 17.707 23.215 6.734 1.00 0.00 ATOM 682 CG ARG A 91 18.953 22.410 7.062 1.00 0.00 ATOM 683 CD ARG A 91 19.450 22.709 8.467 1.00 0.00 ATOM 684 NE ARG A 91 20.703 22.018 8.763 1.00 0.00 ATOM 685 CZ ARG A 91 20.785 20.740 9.120 1.00 0.00 ATOM 686 NH1 ARG A 91 21.969 20.197 9.370 1.00 0.00 ATOM 687 NH2 ARG A 91 19.684 20.010 9.227 1.00 0.00 ATOM 688 O ARG A 91 18.366 21.588 3.903 1.00 0.00 ATOM 689 C ARG A 91 18.028 22.687 4.338 1.00 0.00 ATOM 690 N ARG A 92 18.513 23.839 3.842 1.00 0.00 ATOM 691 CA ARG A 92 19.441 23.814 2.753 1.00 0.00 ATOM 692 CB ARG A 92 19.809 25.238 2.330 1.00 0.00 ATOM 693 CG ARG A 92 18.678 25.997 1.656 1.00 0.00 ATOM 694 CD ARG A 92 19.085 27.427 1.340 1.00 0.00 ATOM 695 NE ARG A 92 19.280 28.221 2.551 1.00 0.00 ATOM 696 CZ ARG A 92 19.798 29.444 2.567 1.00 0.00 ATOM 697 NH1 ARG A 92 19.938 30.090 3.717 1.00 0.00 ATOM 698 NH2 ARG A 92 20.175 30.019 1.434 1.00 0.00 ATOM 699 O ARG A 92 21.057 23.151 4.362 1.00 0.00 ATOM 700 C ARG A 92 20.665 23.095 3.197 1.00 0.00 ATOM 701 N GLY A 93 21.288 22.367 2.253 1.00 0.00 ATOM 702 CA GLY A 93 22.463 21.615 2.565 1.00 0.00 ATOM 703 O GLY A 93 23.515 23.713 2.196 1.00 0.00 ATOM 704 C GLY A 93 23.605 22.572 2.647 1.00 0.00 ATOM 705 N GLU A 94 24.724 22.106 3.233 1.00 0.00 ATOM 706 CA GLU A 94 25.889 22.925 3.391 1.00 0.00 ATOM 707 CB GLU A 94 26.969 22.175 4.174 1.00 0.00 ATOM 708 CG GLU A 94 26.645 21.978 5.645 1.00 0.00 ATOM 709 CD GLU A 94 27.676 21.127 6.360 1.00 0.00 ATOM 710 OE1 GLU A 94 28.604 20.630 5.689 1.00 0.00 ATOM 711 OE2 GLU A 94 27.555 20.957 7.592 1.00 0.00 ATOM 712 O GLU A 94 26.789 24.399 1.767 1.00 0.00 ATOM 713 C GLU A 94 26.394 23.264 2.030 1.00 0.00 ATOM 714 N THR A 95 26.376 22.281 1.113 1.00 0.00 ATOM 715 CA THR A 95 26.916 22.529 -0.189 1.00 0.00 ATOM 716 CB THR A 95 27.882 21.410 -0.622 1.00 0.00 ATOM 717 CG2 THR A 95 29.027 21.282 0.371 1.00 0.00 ATOM 718 OG1 THR A 95 27.178 20.164 -0.682 1.00 0.00 ATOM 719 O THR A 95 24.760 21.963 -1.013 1.00 0.00 ATOM 720 C THR A 95 25.799 22.602 -1.173 1.00 0.00 ATOM 721 N SER A 96 25.998 23.422 -2.223 1.00 0.00 ATOM 722 CA SER A 96 25.030 23.553 -3.268 1.00 0.00 ATOM 723 CB SER A 96 24.507 24.989 -3.337 1.00 0.00 ATOM 724 OG SER A 96 23.838 25.347 -2.140 1.00 0.00 ATOM 725 O SER A 96 26.972 23.286 -4.592 1.00 0.00 ATOM 726 C SER A 96 25.748 23.185 -4.521 1.00 0.00 ATOM 727 N VAL A 97 25.010 22.721 -5.545 1.00 0.00 ATOM 728 CA VAL A 97 25.678 22.364 -6.758 1.00 0.00 ATOM 729 CB VAL A 97 24.685 21.858 -7.821 1.00 0.00 ATOM 730 CG1 VAL A 97 25.408 21.562 -9.126 1.00 0.00 ATOM 731 CG2 VAL A 97 24.004 20.583 -7.349 1.00 0.00 ATOM 732 O VAL A 97 27.614 23.525 -7.533 1.00 0.00 ATOM 733 C VAL A 97 26.384 23.613 -7.273 1.00 0.00 ENDMDL