EXPDTA 3D-JIGSAW_RECOM_TS4-scwrl MODEL 1 REMARK 44 REMARK 44 model 1 is called 3D-JIGSAW_RECOM_TS4-scwrl ATOM 1 C SER 3 -8.475 -12.109 -5.687 1.00 0.00 ATOM 2 N GLU A 4 -8.507 -10.778 -5.319 1.00 0.00 ATOM 3 CA GLU A 4 -8.906 -9.699 -5.965 1.00 0.00 ATOM 4 CB GLU A 4 -10.277 -9.247 -5.457 1.00 0.00 ATOM 5 CG GLU A 4 -11.403 -10.222 -5.759 1.00 0.00 ATOM 6 CD GLU A 4 -12.753 -9.714 -5.292 1.00 0.00 ATOM 7 OE1 GLU A 4 -12.805 -8.606 -4.718 1.00 0.00 ATOM 8 OE2 GLU A 4 -13.759 -10.424 -5.502 1.00 0.00 ATOM 9 O GLU A 4 -7.361 -8.501 -4.678 1.00 0.00 ATOM 10 C GLU A 4 -7.909 -8.609 -5.738 1.00 0.00 ATOM 11 N THR A 5 -7.657 -7.794 -6.753 1.00 0.00 ATOM 12 CA THR A 5 -6.712 -6.730 -6.736 1.00 0.00 ATOM 13 CB THR A 5 -5.763 -6.799 -7.947 1.00 0.00 ATOM 14 CG2 THR A 5 -4.767 -5.650 -7.909 1.00 0.00 ATOM 15 OG1 THR A 5 -5.043 -8.038 -7.924 1.00 0.00 ATOM 16 O THR A 5 -8.436 -5.310 -7.493 1.00 0.00 ATOM 17 C THR A 5 -7.481 -5.429 -6.776 1.00 0.00 ATOM 18 N PHE A 6 -7.074 -4.423 -5.996 1.00 0.00 ATOM 19 CA PHE A 6 -7.687 -3.121 -5.952 1.00 0.00 ATOM 20 CB PHE A 6 -8.423 -2.920 -4.626 1.00 0.00 ATOM 21 CG PHE A 6 -9.549 -3.889 -4.404 1.00 0.00 ATOM 22 CD1 PHE A 6 -9.338 -5.073 -3.719 1.00 0.00 ATOM 23 CD2 PHE A 6 -10.819 -3.616 -4.881 1.00 0.00 ATOM 24 CE1 PHE A 6 -10.374 -5.964 -3.516 1.00 0.00 ATOM 25 CE2 PHE A 6 -11.856 -4.508 -4.677 1.00 0.00 ATOM 26 CZ PHE A 6 -11.637 -5.678 -3.998 1.00 0.00 ATOM 27 O PHE A 6 -5.564 -2.243 -5.495 1.00 0.00 ATOM 28 C PHE A 6 -6.586 -2.138 -6.091 1.00 0.00 ATOM 29 N ASP A 7 -6.794 -1.143 -6.870 1.00 0.00 ATOM 30 CA ASP A 7 -5.875 -0.053 -7.021 1.00 0.00 ATOM 31 CB ASP A 7 -5.639 0.247 -8.503 1.00 0.00 ATOM 32 CG ASP A 7 -4.644 1.371 -8.718 1.00 0.00 ATOM 33 OD1 ASP A 7 -4.184 1.957 -7.715 1.00 0.00 ATOM 34 OD2 ASP A 7 -4.325 1.666 -9.889 1.00 0.00 ATOM 35 O ASP A 7 -7.482 1.539 -6.760 1.00 0.00 ATOM 36 C ASP A 7 -6.509 1.100 -6.343 1.00 0.00 ATOM 37 N VAL A 8 -5.979 1.577 -5.241 1.00 0.00 ATOM 38 CA VAL A 8 -6.525 2.555 -4.370 1.00 0.00 ATOM 39 CB VAL A 8 -6.603 2.040 -2.921 1.00 0.00 ATOM 40 CG1 VAL A 8 -7.144 3.122 -1.999 1.00 0.00 ATOM 41 CG2 VAL A 8 -7.521 0.830 -2.834 1.00 0.00 ATOM 42 O VAL A 8 -4.428 3.635 -4.261 1.00 0.00 ATOM 43 C VAL A 8 -5.629 3.751 -4.431 1.00 0.00 ATOM 44 N GLU A 9 -6.172 4.945 -4.707 1.00 0.00 ATOM 45 CA GLU A 9 -5.363 6.114 -4.842 1.00 0.00 ATOM 46 CB GLU A 9 -5.640 6.806 -6.178 1.00 0.00 ATOM 47 CG GLU A 9 -7.107 7.123 -6.420 1.00 0.00 ATOM 48 CD GLU A 9 -7.333 7.887 -7.710 1.00 0.00 ATOM 49 OE1 GLU A 9 -6.357 8.078 -8.466 1.00 0.00 ATOM 50 OE2 GLU A 9 -8.485 8.295 -7.965 1.00 0.00 ATOM 51 O GLU A 9 -6.823 7.367 -3.468 1.00 0.00 ATOM 52 C GLU A 9 -5.670 7.059 -3.735 1.00 0.00 ATOM 53 N LEU A 10 -4.883 7.365 -3.464 1.00 0.00 ATOM 54 CA LEU A 10 -5.196 7.921 -2.189 1.00 0.00 ATOM 55 CB LEU A 10 -4.814 6.948 -1.072 1.00 0.00 ATOM 56 CG LEU A 10 -5.609 5.642 -1.009 1.00 0.00 ATOM 57 CD1 LEU A 10 -4.998 4.689 0.007 1.00 0.00 ATOM 58 CD2 LEU A 10 -7.050 5.909 -0.604 1.00 0.00 ATOM 59 O LEU A 10 -3.238 9.265 -2.248 1.00 0.00 ATOM 60 C LEU A 10 -4.437 9.199 -2.002 1.00 0.00 ATOM 61 N THR A 11 -5.139 10.247 -1.530 1.00 0.00 ATOM 62 CA THR A 11 -4.541 11.477 -1.158 1.00 0.00 ATOM 63 CB THR A 11 -5.424 12.676 -1.551 1.00 0.00 ATOM 64 CG2 THR A 11 -4.777 13.981 -1.113 1.00 0.00 ATOM 65 OG1 THR A 11 -5.599 12.699 -2.973 1.00 0.00 ATOM 66 O THR A 11 -5.212 10.973 1.079 1.00 0.00 ATOM 67 C THR A 11 -4.375 11.428 0.300 1.00 0.00 ATOM 68 N LYS A 12 -3.181 11.867 0.627 1.00 0.00 ATOM 69 CA LYS A 12 -2.609 11.947 1.885 1.00 0.00 ATOM 70 CB LYS A 12 -1.136 12.347 1.779 1.00 0.00 ATOM 71 CG LYS A 12 -0.404 12.377 3.111 1.00 0.00 ATOM 72 CD LYS A 12 1.071 12.693 2.924 1.00 0.00 ATOM 73 CE LYS A 12 1.806 12.706 4.254 1.00 0.00 ATOM 74 NZ LYS A 12 3.254 13.012 4.085 1.00 0.00 ATOM 75 O LYS A 12 -3.709 14.080 2.114 1.00 0.00 ATOM 76 C LYS A 12 -3.404 12.983 2.587 1.00 0.00 ATOM 77 N ASN A 13 -3.810 12.561 3.778 1.00 0.00 ATOM 78 CA ASN A 13 -4.701 13.318 4.602 1.00 0.00 ATOM 79 CB ASN A 13 -5.533 12.388 5.487 1.00 0.00 ATOM 80 CG ASN A 13 -6.821 13.032 5.960 1.00 0.00 ATOM 81 ND2 ASN A 13 -7.750 12.213 6.439 1.00 0.00 ATOM 82 OD1 ASN A 13 -6.977 14.252 5.895 1.00 0.00 ATOM 83 O ASN A 13 -2.648 14.191 5.331 1.00 0.00 ATOM 84 C ASN A 13 -3.871 14.216 5.448 1.00 0.00 ATOM 85 N VAL A 14 -4.507 15.026 6.329 1.00 0.00 ATOM 86 CA VAL A 14 -3.873 15.919 7.267 1.00 0.00 ATOM 87 CB VAL A 14 -4.791 16.224 8.465 1.00 0.00 ATOM 88 CG1 VAL A 14 -4.052 17.050 9.506 1.00 0.00 ATOM 89 CG2 VAL A 14 -6.015 17.006 8.012 1.00 0.00 ATOM 90 O VAL A 14 -1.612 16.041 8.017 1.00 0.00 ATOM 91 C VAL A 14 -2.594 15.330 7.819 1.00 0.00 ATOM 92 N GLN A 15 -2.571 13.999 8.048 1.00 0.00 ATOM 93 CA GLN A 15 -1.423 13.310 8.536 1.00 0.00 ATOM 94 CB GLN A 15 -1.812 12.353 9.664 1.00 0.00 ATOM 95 CG GLN A 15 -2.459 13.033 10.860 1.00 0.00 ATOM 96 CD GLN A 15 -1.525 14.006 11.552 1.00 0.00 ATOM 97 OE1 GLN A 15 -0.358 13.697 11.792 1.00 0.00 ATOM 98 NE2 GLN A 15 -2.038 15.188 11.875 1.00 0.00 ATOM 99 O GLN A 15 0.448 12.277 7.478 1.00 0.00 ATOM 100 C GLN A 15 -0.760 12.503 7.457 1.00 0.00 ATOM 101 N GLY A 16 -1.549 12.007 6.512 1.00 0.00 ATOM 102 CA GLY A 16 -1.060 11.166 5.511 1.00 0.00 ATOM 103 O GLY A 16 -2.553 9.562 6.019 1.00 0.00 ATOM 104 C GLY A 16 -1.544 9.833 5.405 1.00 0.00 ATOM 105 N LEU A 17 -0.918 9.007 4.557 1.00 0.00 ATOM 106 CA LEU A 17 -1.283 7.634 4.409 1.00 0.00 ATOM 107 CB LEU A 17 -0.424 6.964 3.335 1.00 0.00 ATOM 108 CG LEU A 17 -0.745 5.500 3.025 1.00 0.00 ATOM 109 CD1 LEU A 17 -2.149 5.367 2.455 1.00 0.00 ATOM 110 CD2 LEU A 17 0.237 4.938 2.009 1.00 0.00 ATOM 111 O LEU A 17 -0.151 6.143 5.992 1.00 0.00 ATOM 112 C LEU A 17 -1.091 6.866 5.713 1.00 0.00 ATOM 113 N GLY A 18 -1.935 6.933 6.536 1.00 0.00 ATOM 114 CA GLY A 18 -1.527 6.295 7.768 1.00 0.00 ATOM 115 O GLY A 18 -2.985 4.632 7.499 1.00 0.00 ATOM 116 C GLY A 18 -1.889 4.847 7.704 1.00 0.00 ATOM 117 N ILE A 19 -1.184 3.763 7.937 1.00 0.00 ATOM 118 CA ILE A 19 -1.458 2.383 7.581 1.00 0.00 ATOM 119 CB ILE A 19 -1.400 2.171 6.057 1.00 0.00 ATOM 120 CG1 ILE A 19 -1.856 0.755 5.697 1.00 0.00 ATOM 121 CG2 ILE A 19 0.019 2.365 5.545 1.00 0.00 ATOM 122 CD1 ILE A 19 -2.084 0.545 4.217 1.00 0.00 ATOM 123 O ILE A 19 0.768 2.585 8.348 1.00 0.00 ATOM 124 C ILE A 19 -0.279 1.929 8.390 1.00 0.00 ATOM 125 N THR A 20 -0.399 0.847 9.185 1.00 0.00 ATOM 126 CA THR A 20 0.743 0.208 9.773 1.00 0.00 ATOM 127 CB THR A 20 0.515 -0.093 11.266 1.00 0.00 ATOM 128 CG2 THR A 20 1.732 -0.783 11.862 1.00 0.00 ATOM 129 OG1 THR A 20 0.282 1.131 11.973 1.00 0.00 ATOM 130 O THR A 20 0.138 -1.993 9.083 1.00 0.00 ATOM 131 C THR A 20 0.941 -1.075 9.005 1.00 0.00 ATOM 132 N ILE A 21 2.014 -1.175 8.213 1.00 0.00 ATOM 133 CA ILE A 21 2.289 -2.296 7.359 1.00 0.00 ATOM 134 CB ILE A 21 2.512 -1.853 5.901 1.00 0.00 ATOM 135 CG1 ILE A 21 3.701 -0.894 5.811 1.00 0.00 ATOM 136 CG2 ILE A 21 1.279 -1.144 5.365 1.00 0.00 ATOM 137 CD1 ILE A 21 4.121 -0.573 4.393 1.00 0.00 ATOM 138 O ILE A 21 4.380 -2.360 8.501 1.00 0.00 ATOM 139 C ILE A 21 3.528 -2.976 7.860 1.00 0.00 ATOM 140 N ALA A 22 3.690 -4.309 7.632 1.00 0.00 ATOM 141 CA ALA A 22 4.747 -5.080 8.191 1.00 0.00 ATOM 142 CB ALA A 22 4.349 -5.613 9.559 1.00 0.00 ATOM 143 O ALA A 22 4.327 -6.418 6.307 1.00 0.00 ATOM 144 C ALA A 22 5.026 -6.200 7.290 1.00 0.00 ATOM 145 N GLY A 23 6.083 -6.928 7.629 1.00 0.00 ATOM 146 CA GLY A 23 6.354 -8.049 6.896 1.00 0.00 ATOM 147 O GLY A 23 8.610 -7.877 6.944 1.00 0.00 ATOM 148 C GLY A 23 7.660 -7.992 6.231 1.00 0.00 ATOM 149 N TYR A 24 7.784 -8.205 4.899 1.00 0.00 ATOM 150 CA TYR A 24 8.961 -8.354 4.056 1.00 0.00 ATOM 151 CB TYR A 24 9.788 -7.067 4.058 1.00 0.00 ATOM 152 CG TYR A 24 9.029 -5.850 3.577 1.00 0.00 ATOM 153 CD1 TYR A 24 8.639 -4.858 4.468 1.00 0.00 ATOM 154 CD2 TYR A 24 8.705 -5.699 2.235 1.00 0.00 ATOM 155 CE1 TYR A 24 7.945 -3.743 4.037 1.00 0.00 ATOM 156 CE2 TYR A 24 8.011 -4.590 1.787 1.00 0.00 ATOM 157 CZ TYR A 24 7.632 -3.609 2.702 1.00 0.00 ATOM 158 OH TYR A 24 6.941 -2.500 2.271 1.00 0.00 ATOM 159 O TYR A 24 9.700 -10.298 4.381 1.00 0.00 ATOM 160 C TYR A 24 10.067 -9.329 4.188 1.00 0.00 ATOM 161 N ILE A 25 11.396 -9.474 4.102 1.00 0.00 ATOM 162 CA ILE A 25 12.205 -10.649 4.414 1.00 0.00 ATOM 163 CB ILE A 25 12.564 -11.441 3.143 1.00 0.00 ATOM 164 CG1 ILE A 25 13.357 -10.561 2.173 1.00 0.00 ATOM 165 CG2 ILE A 25 11.304 -11.919 2.439 1.00 0.00 ATOM 166 CD1 ILE A 25 13.925 -11.315 0.991 1.00 0.00 ATOM 167 O ILE A 25 13.808 -9.729 6.193 1.00 0.00 ATOM 168 C ILE A 25 13.488 -10.139 5.091 1.00 0.00 ATOM 169 N GLY A 26 13.064 -11.025 5.152 1.00 0.00 ATOM 170 CA GLY A 26 14.125 -11.085 6.112 1.00 0.00 ATOM 171 O GLY A 26 14.292 -9.788 8.112 1.00 0.00 ATOM 172 C GLY A 26 13.559 -10.361 7.295 1.00 0.00 ATOM 173 N ASP A 27 12.219 -10.413 7.420 1.00 0.00 ATOM 174 CA ASP A 27 11.547 -9.622 8.391 1.00 0.00 ATOM 175 CB ASP A 27 10.127 -9.294 7.925 1.00 0.00 ATOM 176 CG ASP A 27 9.268 -10.531 7.757 1.00 0.00 ATOM 177 OD1 ASP A 27 9.641 -11.408 6.950 1.00 0.00 ATOM 178 OD2 ASP A 27 8.222 -10.625 8.434 1.00 0.00 ATOM 179 O ASP A 27 11.778 -11.745 9.365 1.00 0.00 ATOM 180 C ASP A 27 11.599 -10.541 9.527 1.00 0.00 ATOM 181 N LYS A 28 11.516 -9.978 10.734 1.00 0.00 ATOM 182 CA LYS A 28 11.726 -10.777 11.888 1.00 0.00 ATOM 183 CB LYS A 28 12.424 -9.966 12.982 1.00 0.00 ATOM 184 CG LYS A 28 13.826 -9.508 12.615 1.00 0.00 ATOM 185 CD LYS A 28 14.501 -8.807 13.784 1.00 0.00 ATOM 186 CE LYS A 28 15.886 -8.310 13.404 1.00 0.00 ATOM 187 NZ LYS A 28 16.569 -7.643 14.546 1.00 0.00 ATOM 188 O LYS A 28 10.282 -11.855 13.409 1.00 0.00 ATOM 189 C LYS A 28 10.383 -11.228 12.359 1.00 0.00 ATOM 190 N LYS A 29 9.330 -10.974 11.567 1.00 0.00 ATOM 191 CA LYS A 29 8.021 -11.122 12.119 1.00 0.00 ATOM 192 CB LYS A 29 7.087 -10.035 11.583 1.00 0.00 ATOM 193 CG LYS A 29 7.489 -8.623 11.976 1.00 0.00 ATOM 194 CD LYS A 29 6.450 -7.608 11.526 1.00 0.00 ATOM 195 CE LYS A 29 6.864 -6.193 11.895 1.00 0.00 ATOM 196 NZ LYS A 29 5.857 -5.187 11.459 1.00 0.00 ATOM 197 O LYS A 29 7.335 -13.331 12.439 1.00 0.00 ATOM 198 C LYS A 29 7.691 -12.474 11.636 1.00 0.00 ATOM 199 N LEU A 30 7.775 -12.670 10.309 1.00 0.00 ATOM 200 CA LEU A 30 7.137 -13.790 9.738 1.00 0.00 ATOM 201 CB LEU A 30 6.066 -13.345 8.740 1.00 0.00 ATOM 202 CG LEU A 30 4.916 -12.511 9.307 1.00 0.00 ATOM 203 CD1 LEU A 30 4.015 -12.008 8.189 1.00 0.00 ATOM 204 CD2 LEU A 30 4.070 -13.340 10.262 1.00 0.00 ATOM 205 O LEU A 30 7.544 -15.727 8.712 1.00 0.00 ATOM 206 C LEU A 30 8.054 -14.657 9.025 1.00 0.00 ATOM 207 N GLU A 31 9.315 -14.226 8.726 1.00 0.00 ATOM 208 CA GLU A 31 10.305 -14.965 7.976 1.00 0.00 ATOM 209 CB GLU A 31 9.734 -16.306 7.510 1.00 0.00 ATOM 210 CG GLU A 31 9.453 -17.286 8.638 1.00 0.00 ATOM 211 CD GLU A 31 8.839 -18.581 8.144 1.00 0.00 ATOM 212 OE1 GLU A 31 8.594 -18.696 6.925 1.00 0.00 ATOM 213 OE2 GLU A 31 8.603 -19.482 8.977 1.00 0.00 ATOM 214 O GLU A 31 10.865 -12.893 7.062 1.00 0.00 ATOM 215 C GLU A 31 10.634 -14.068 6.810 1.00 0.00 ATOM 216 N PRO A 32 10.798 -14.514 5.584 1.00 0.00 ATOM 217 CA PRO A 32 10.527 -13.633 4.436 1.00 0.00 ATOM 218 CB PRO A 32 11.351 -14.242 3.300 1.00 0.00 ATOM 219 CG PRO A 32 11.413 -15.697 3.621 1.00 0.00 ATOM 220 CD PRO A 32 11.458 -15.791 5.121 1.00 0.00 ATOM 221 O PRO A 32 8.533 -14.527 3.536 1.00 0.00 ATOM 222 C PRO A 32 9.089 -13.541 4.018 1.00 0.00 ATOM 223 N SER A 33 8.490 -12.341 4.158 1.00 0.00 ATOM 224 CA SER A 33 7.101 -12.156 3.914 1.00 0.00 ATOM 225 CB SER A 33 6.369 -11.815 5.214 1.00 0.00 ATOM 226 OG SER A 33 6.792 -10.562 5.723 1.00 0.00 ATOM 227 O SER A 33 7.799 -10.225 2.684 1.00 0.00 ATOM 228 C SER A 33 6.908 -11.029 2.935 1.00 0.00 ATOM 229 N GLY A 34 5.674 -10.910 2.419 1.00 0.00 ATOM 230 CA GLY A 34 5.291 -9.783 1.612 1.00 0.00 ATOM 231 O GLY A 34 5.107 -8.861 3.802 1.00 0.00 ATOM 232 C GLY A 34 4.911 -8.709 2.599 1.00 0.00 ATOM 233 N ILE A 35 4.344 -7.590 2.117 1.00 0.00 ATOM 234 CA ILE A 35 4.170 -6.415 2.922 1.00 0.00 ATOM 235 CB ILE A 35 4.652 -5.151 2.187 1.00 0.00 ATOM 236 CG1 ILE A 35 6.144 -5.256 1.866 1.00 0.00 ATOM 237 CG2 ILE A 35 4.430 -3.917 3.048 1.00 0.00 ATOM 238 CD1 ILE A 35 6.649 -4.166 0.946 1.00 0.00 ATOM 239 O ILE A 35 1.966 -6.539 2.156 1.00 0.00 ATOM 240 C ILE A 35 2.699 -6.434 3.132 1.00 0.00 ATOM 241 N PHE A 36 2.246 -6.359 4.398 1.00 0.00 ATOM 242 CA PHE A 36 0.882 -6.625 4.735 1.00 0.00 ATOM 243 CB PHE A 36 0.762 -7.965 5.464 1.00 0.00 ATOM 244 CG PHE A 36 1.197 -9.144 4.641 1.00 0.00 ATOM 245 CD1 PHE A 36 2.499 -9.609 4.706 1.00 0.00 ATOM 246 CD2 PHE A 36 0.305 -9.787 3.801 1.00 0.00 ATOM 247 CE1 PHE A 36 2.899 -10.693 3.949 1.00 0.00 ATOM 248 CE2 PHE A 36 0.706 -10.872 3.044 1.00 0.00 ATOM 249 CZ PHE A 36 1.997 -11.325 3.115 1.00 0.00 ATOM 250 O PHE A 36 1.166 -5.138 6.545 1.00 0.00 ATOM 251 C PHE A 36 0.438 -5.504 5.623 1.00 0.00 ATOM 252 N VAL A 37 -0.785 -4.980 5.407 1.00 0.00 ATOM 253 CA VAL A 37 -1.400 -3.965 6.228 1.00 0.00 ATOM 254 CB VAL A 37 -2.682 -3.413 5.577 1.00 0.00 ATOM 255 CG1 VAL A 37 -3.390 -2.455 6.523 1.00 0.00 ATOM 256 CG2 VAL A 37 -2.348 -2.663 4.296 1.00 0.00 ATOM 257 O VAL A 37 -2.221 -5.747 7.555 1.00 0.00 ATOM 258 C VAL A 37 -1.728 -4.619 7.532 1.00 0.00 ATOM 259 N LYS A 38 -1.445 -3.908 8.643 1.00 0.00 ATOM 260 CA LYS A 38 -1.628 -4.433 9.960 1.00 0.00 ATOM 261 CB LYS A 38 -0.351 -4.266 10.786 1.00 0.00 ATOM 262 CG LYS A 38 -0.436 -4.850 12.186 1.00 0.00 ATOM 263 CD LYS A 38 0.867 -4.660 12.944 1.00 0.00 ATOM 264 CE LYS A 38 0.777 -5.231 14.350 1.00 0.00 ATOM 265 NZ LYS A 38 2.049 -5.055 15.104 1.00 0.00 ATOM 266 O LYS A 38 -3.634 -4.398 11.104 1.00 0.00 ATOM 267 C LYS A 38 -2.728 -3.717 10.636 1.00 0.00 ATOM 268 N SER A 39 -2.085 -2.782 10.741 1.00 0.00 ATOM 269 CA SER A 39 -3.082 -2.031 11.447 1.00 0.00 ATOM 270 CB SER A 39 -2.555 -1.594 12.815 1.00 0.00 ATOM 271 OG SER A 39 -2.220 -2.714 13.615 1.00 0.00 ATOM 272 O SER A 39 -2.672 -0.365 9.780 1.00 0.00 ATOM 273 C SER A 39 -3.439 -0.805 10.635 1.00 0.00 ATOM 274 N ILE A 40 -4.637 -0.226 10.889 1.00 0.00 ATOM 275 CA ILE A 40 -5.126 0.958 10.212 1.00 0.00 ATOM 276 CB ILE A 40 -6.313 0.630 9.287 1.00 0.00 ATOM 277 CG1 ILE A 40 -7.468 0.032 10.093 1.00 0.00 ATOM 278 CG2 ILE A 40 -5.897 -0.374 8.223 1.00 0.00 ATOM 279 CD1 ILE A 40 -8.731 -0.176 9.288 1.00 0.00 ATOM 280 O ILE A 40 -6.155 1.401 12.297 1.00 0.00 ATOM 281 C ILE A 40 -5.547 1.878 11.370 1.00 0.00 ATOM 282 N THR A 41 -5.350 3.189 11.535 1.00 0.00 ATOM 283 CA THR A 41 -6.214 3.828 12.544 1.00 0.00 ATOM 284 CB THR A 41 -5.516 5.032 13.203 1.00 0.00 ATOM 285 CG2 THR A 41 -6.437 5.690 14.220 1.00 0.00 ATOM 286 OG1 THR A 41 -4.327 4.593 13.871 1.00 0.00 ATOM 287 O THR A 41 -7.561 5.087 11.039 1.00 0.00 ATOM 288 C THR A 41 -7.515 4.348 11.978 1.00 0.00 ATOM 289 N LYS A 42 -8.679 4.117 12.552 1.00 0.00 ATOM 290 CA LYS A 42 -9.869 4.624 11.933 1.00 0.00 ATOM 291 CB LYS A 42 -11.105 4.227 12.743 1.00 0.00 ATOM 292 CG LYS A 42 -12.422 4.656 12.116 1.00 0.00 ATOM 293 CD LYS A 42 -13.607 4.155 12.925 1.00 0.00 ATOM 294 CE LYS A 42 -14.924 4.598 12.307 1.00 0.00 ATOM 295 NZ LYS A 42 -16.095 4.102 13.081 1.00 0.00 ATOM 296 O LYS A 42 -9.684 6.634 12.885 1.00 0.00 ATOM 297 C LYS A 42 -9.891 6.087 11.814 1.00 0.00 ATOM 298 N SER A 43 -10.114 6.665 10.577 1.00 0.00 ATOM 299 CA SER A 43 -10.138 8.087 10.310 1.00 0.00 ATOM 300 CB SER A 43 -9.958 8.879 11.607 1.00 0.00 ATOM 301 OG SER A 43 -8.672 8.664 12.161 1.00 0.00 ATOM 302 O SER A 43 -9.105 9.563 8.763 1.00 0.00 ATOM 303 C SER A 43 -9.044 8.497 9.369 1.00 0.00 ATOM 304 N SER A 44 -7.977 7.722 9.227 1.00 0.00 ATOM 305 CA SER A 44 -6.909 8.272 8.432 1.00 0.00 ATOM 306 CB SER A 44 -5.590 7.559 8.739 1.00 0.00 ATOM 307 OG SER A 44 -5.625 6.212 8.303 1.00 0.00 ATOM 308 O SER A 44 -8.165 7.513 6.594 1.00 0.00 ATOM 309 C SER A 44 -7.174 8.127 6.943 1.00 0.00 ATOM 310 N ALA A 45 -6.368 8.761 6.045 1.00 0.00 ATOM 311 CA ALA A 45 -6.650 8.785 4.625 1.00 0.00 ATOM 312 CB ALA A 45 -5.440 9.288 3.853 1.00 0.00 ATOM 313 O ALA A 45 -8.122 7.135 3.764 1.00 0.00 ATOM 314 C ALA A 45 -6.987 7.392 4.161 1.00 0.00 ATOM 315 N VAL A 46 -6.011 6.468 4.284 1.00 0.00 ATOM 316 CA VAL A 46 -6.067 5.088 3.874 1.00 0.00 ATOM 317 CB VAL A 46 -4.705 4.392 4.049 1.00 0.00 ATOM 318 CG1 VAL A 46 -4.833 2.898 3.792 1.00 0.00 ATOM 319 CG2 VAL A 46 -3.686 4.961 3.074 1.00 0.00 ATOM 320 O VAL A 46 -7.887 3.568 4.236 1.00 0.00 ATOM 321 C VAL A 46 -7.086 4.364 4.710 1.00 0.00 ATOM 322 N GLU A 47 -7.275 4.598 5.848 1.00 0.00 ATOM 323 CA GLU A 47 -8.154 4.061 6.809 1.00 0.00 ATOM 324 CB GLU A 47 -7.913 4.706 8.175 1.00 0.00 ATOM 325 CG GLU A 47 -8.862 4.229 9.263 1.00 0.00 ATOM 326 CD GLU A 47 -8.648 2.773 9.626 1.00 0.00 ATOM 327 OE1 GLU A 47 -7.623 2.199 9.201 1.00 0.00 ATOM 328 OE2 GLU A 47 -9.505 2.206 10.336 1.00 0.00 ATOM 329 O GLU A 47 -10.323 3.280 6.456 1.00 0.00 ATOM 330 C GLU A 47 -9.594 4.260 6.498 1.00 0.00 ATOM 331 N HIS A 48 -10.064 5.495 6.310 1.00 0.00 ATOM 332 CA HIS A 48 -11.443 5.815 6.089 1.00 0.00 ATOM 333 CB HIS A 48 -11.672 7.322 6.226 1.00 0.00 ATOM 334 CG HIS A 48 -13.114 7.720 6.183 1.00 0.00 ATOM 335 CD2 HIS A 48 -13.951 8.495 5.278 1.00 0.00 ATOM 336 ND1 HIS A 48 -14.018 7.351 7.156 1.00 0.00 ATOM 337 CE1 HIS A 48 -15.226 7.854 6.845 1.00 0.00 ATOM 338 NE2 HIS A 48 -15.193 8.541 5.720 1.00 0.00 ATOM 339 O HIS A 48 -13.074 5.172 4.516 1.00 0.00 ATOM 340 C HIS A 48 -11.883 5.398 4.710 1.00 0.00 ATOM 341 N ASP A 49 -10.954 5.260 3.743 1.00 0.00 ATOM 342 CA ASP A 49 -11.237 4.830 2.390 1.00 0.00 ATOM 343 CB ASP A 49 -9.951 4.782 1.563 1.00 0.00 ATOM 344 CG ASP A 49 -10.204 4.421 0.113 1.00 0.00 ATOM 345 OD1 ASP A 49 -10.967 5.148 -0.556 1.00 0.00 ATOM 346 OD2 ASP A 49 -9.639 3.410 -0.355 1.00 0.00 ATOM 347 O ASP A 49 -12.998 3.288 1.939 1.00 0.00 ATOM 348 C ASP A 49 -11.856 3.454 2.368 1.00 0.00 ATOM 349 N GLY A 50 -11.132 2.424 2.854 1.00 0.00 ATOM 350 CA GLY A 50 -11.746 1.150 3.133 1.00 0.00 ATOM 351 O GLY A 50 -12.070 -0.969 2.120 1.00 0.00 ATOM 352 C GLY A 50 -11.574 0.153 2.017 1.00 0.00 ATOM 353 N ARG A 51 -10.848 0.509 0.937 1.00 0.00 ATOM 354 CA ARG A 51 -10.331 -0.487 0.035 1.00 0.00 ATOM 355 CB ARG A 51 -9.918 0.154 -1.291 1.00 0.00 ATOM 356 CG ARG A 51 -11.084 0.658 -2.127 1.00 0.00 ATOM 357 CD ARG A 51 -10.602 1.292 -3.421 1.00 0.00 ATOM 358 NE ARG A 51 -11.712 1.761 -4.247 1.00 0.00 ATOM 359 CZ ARG A 51 -11.569 2.509 -5.337 1.00 0.00 ATOM 360 NH1 ARG A 51 -12.636 2.888 -6.025 1.00 0.00 ATOM 361 NH2 ARG A 51 -10.358 2.874 -5.736 1.00 0.00 ATOM 362 O ARG A 51 -8.892 -2.320 0.476 1.00 0.00 ATOM 363 C ARG A 51 -9.137 -1.130 0.672 1.00 0.00 ATOM 364 N ILE A 52 -8.375 -0.348 1.460 1.00 0.00 ATOM 365 CA ILE A 52 -7.294 -0.852 2.258 1.00 0.00 ATOM 366 CB ILE A 52 -6.153 0.175 2.375 1.00 0.00 ATOM 367 CG1 ILE A 52 -5.550 0.462 0.999 1.00 0.00 ATOM 368 CG2 ILE A 52 -5.052 -0.353 3.283 1.00 0.00 ATOM 369 CD1 ILE A 52 -4.611 1.648 0.979 1.00 0.00 ATOM 370 O ILE A 52 -8.626 -0.362 4.173 1.00 0.00 ATOM 371 C ILE A 52 -7.849 -1.149 3.626 1.00 0.00 ATOM 372 N GLN A 53 -7.448 -2.300 4.220 1.00 0.00 ATOM 373 CA GLN A 53 -7.874 -2.634 5.552 1.00 0.00 ATOM 374 CB GLN A 53 -9.295 -3.200 5.534 1.00 0.00 ATOM 375 CG GLN A 53 -9.436 -4.499 4.757 1.00 0.00 ATOM 376 CD GLN A 53 -10.870 -4.989 4.697 1.00 0.00 ATOM 377 OE1 GLN A 53 -11.784 -4.325 5.186 1.00 0.00 ATOM 378 NE2 GLN A 53 -11.070 -6.157 4.097 1.00 0.00 ATOM 379 O GLN A 53 -6.191 -4.295 5.354 1.00 0.00 ATOM 380 C GLN A 53 -6.926 -3.665 6.102 1.00 0.00 ATOM 381 N ILE A 54 -6.904 -3.866 7.434 1.00 0.00 ATOM 382 CA ILE A 54 -5.880 -4.638 8.062 1.00 0.00 ATOM 383 CB ILE A 54 -5.996 -4.587 9.597 1.00 0.00 ATOM 384 CG1 ILE A 54 -5.756 -3.163 10.103 1.00 0.00 ATOM 385 CG2 ILE A 54 -4.969 -5.507 10.239 1.00 0.00 ATOM 386 CD1 ILE A 54 -6.100 -2.968 11.563 1.00 0.00 ATOM 387 O ILE A 54 -7.047 -6.672 7.531 1.00 0.00 ATOM 388 C ILE A 54 -5.969 -6.083 7.640 1.00 0.00 ATOM 389 N GLY A 55 -4.792 -6.662 7.345 1.00 0.00 ATOM 390 CA GLY A 55 -4.689 -8.000 6.858 1.00 0.00 ATOM 391 O GLY A 55 -4.685 -9.214 4.849 1.00 0.00 ATOM 392 C GLY A 55 -4.670 -8.094 5.356 1.00 0.00 ATOM 393 N ASP A 56 -4.622 -6.954 4.561 1.00 0.00 ATOM 394 CA ASP A 56 -4.402 -7.089 3.130 1.00 0.00 ATOM 395 CB ASP A 56 -4.941 -5.865 2.387 1.00 0.00 ATOM 396 CG ASP A 56 -6.456 -5.833 2.338 1.00 0.00 ATOM 397 OD1 ASP A 56 -7.082 -6.868 2.648 1.00 0.00 ATOM 398 OD2 ASP A 56 -7.017 -4.773 1.990 1.00 0.00 ATOM 399 O ASP A 56 -2.119 -7.051 3.547 1.00 0.00 ATOM 400 C ASP A 56 -3.016 -7.220 2.729 1.00 0.00 ATOM 401 N GLN A 57 -2.827 -7.569 1.441 1.00 0.00 ATOM 402 CA GLN A 57 -1.534 -7.806 0.887 1.00 0.00 ATOM 403 CB GLN A 57 -1.472 -9.194 0.246 1.00 0.00 ATOM 404 CG GLN A 57 -0.109 -9.555 -0.322 1.00 0.00 ATOM 405 CD GLN A 57 -0.060 -10.970 -0.863 1.00 0.00 ATOM 406 OE1 GLN A 57 -1.078 -11.659 -0.919 1.00 0.00 ATOM 407 NE2 GLN A 57 1.128 -11.408 -1.265 1.00 0.00 ATOM 408 O GLN A 57 -2.077 -6.570 -1.075 1.00 0.00 ATOM 409 C GLN A 57 -1.286 -6.750 -0.152 1.00 0.00 ATOM 410 N ILE A 58 -0.155 -6.037 -0.027 1.00 0.00 ATOM 411 CA ILE A 58 0.173 -4.945 -0.890 1.00 0.00 ATOM 412 CB ILE A 58 1.044 -3.899 -0.170 1.00 0.00 ATOM 413 CG1 ILE A 58 0.268 -3.263 0.985 1.00 0.00 ATOM 414 CG2 ILE A 58 1.461 -2.798 -1.134 1.00 0.00 ATOM 415 CD1 ILE A 58 1.132 -2.460 1.933 1.00 0.00 ATOM 416 O ILE A 58 1.739 -6.437 -1.896 1.00 0.00 ATOM 417 C ILE A 58 0.930 -5.523 -2.058 1.00 0.00 ATOM 418 N ILE A 59 0.707 -4.805 -3.209 1.00 0.00 ATOM 419 CA ILE A 59 1.350 -5.207 -4.421 1.00 0.00 ATOM 420 CB ILE A 59 0.342 -5.342 -5.577 1.00 0.00 ATOM 421 CG1 ILE A 59 -0.706 -6.408 -5.249 1.00 0.00 ATOM 422 CG2 ILE A 59 1.053 -5.744 -6.860 1.00 0.00 ATOM 423 CD1 ILE A 59 -1.825 -6.496 -6.263 1.00 0.00 ATOM 424 O ILE A 59 3.530 -4.486 -4.989 1.00 0.00 ATOM 425 C ILE A 59 2.367 -4.150 -4.759 1.00 0.00 ATOM 426 N ALA A 60 1.958 -2.860 -4.836 1.00 0.00 ATOM 427 CA ALA A 60 2.863 -1.858 -5.322 1.00 0.00 ATOM 428 CB ALA A 60 2.760 -1.739 -6.835 1.00 0.00 ATOM 429 O ALA A 60 1.406 -0.234 -4.385 1.00 0.00 ATOM 430 C ALA A 60 2.552 -0.520 -4.724 1.00 0.00 ATOM 431 N VAL A 61 3.603 0.320 -4.585 1.00 0.00 ATOM 432 CA VAL A 61 3.507 1.657 -4.065 1.00 0.00 ATOM 433 CB VAL A 61 4.290 1.808 -2.748 1.00 0.00 ATOM 434 CG1 VAL A 61 4.204 3.238 -2.238 1.00 0.00 ATOM 435 CG2 VAL A 61 3.724 0.882 -1.682 1.00 0.00 ATOM 436 O VAL A 61 5.237 2.615 -5.394 1.00 0.00 ATOM 437 C VAL A 61 4.062 2.646 -5.045 1.00 0.00 ATOM 438 N ASP A 62 3.255 3.614 -5.481 1.00 0.00 ATOM 439 CA ASP A 62 3.758 4.659 -6.350 1.00 0.00 ATOM 440 CB ASP A 62 4.726 5.568 -5.590 1.00 0.00 ATOM 441 CG ASP A 62 4.929 6.905 -6.276 1.00 0.00 ATOM 442 OD1 ASP A 62 4.104 7.260 -7.143 1.00 0.00 ATOM 443 OD2 ASP A 62 5.915 7.598 -5.946 1.00 0.00 ATOM 444 O ASP A 62 5.558 4.492 -7.926 1.00 0.00 ATOM 445 C ASP A 62 4.489 4.034 -7.524 1.00 0.00 ATOM 446 N GLY A 63 3.957 2.909 -8.053 1.00 0.00 ATOM 447 CA GLY A 63 4.530 2.247 -9.192 1.00 0.00 ATOM 448 O GLY A 63 6.216 0.694 -9.794 1.00 0.00 ATOM 449 C GLY A 63 5.648 1.277 -8.870 1.00 0.00 ATOM 450 N THR A 64 5.995 1.059 -7.583 1.00 0.00 ATOM 451 CA THR A 64 7.111 0.238 -7.221 1.00 0.00 ATOM 452 CB THR A 64 7.994 0.921 -6.160 1.00 0.00 ATOM 453 CG2 THR A 64 9.161 0.024 -5.780 1.00 0.00 ATOM 454 OG1 THR A 64 8.507 2.153 -6.683 1.00 0.00 ATOM 455 O THR A 64 5.872 -1.081 -5.670 1.00 0.00 ATOM 456 C THR A 64 6.598 -1.061 -6.660 1.00 0.00 ATOM 457 N ASN A 65 7.007 -2.189 -7.270 1.00 0.00 ATOM 458 CA ASN A 65 6.574 -3.508 -6.875 1.00 0.00 ATOM 459 CB ASN A 65 6.965 -4.540 -7.935 1.00 0.00 ATOM 460 CG ASN A 65 6.387 -5.913 -7.652 1.00 0.00 ATOM 461 ND2 ASN A 65 6.238 -6.718 -8.698 1.00 0.00 ATOM 462 OD1 ASN A 65 6.079 -6.243 -6.507 1.00 0.00 ATOM 463 O ASN A 65 8.443 -3.932 -5.468 1.00 0.00 ATOM 464 C ASN A 65 7.221 -3.877 -5.574 1.00 0.00 ATOM 465 N LEU A 66 6.489 -4.163 -4.508 1.00 0.00 ATOM 466 CA LEU A 66 6.982 -4.264 -3.165 1.00 0.00 ATOM 467 CB LEU A 66 5.883 -3.906 -2.162 1.00 0.00 ATOM 468 CG LEU A 66 5.334 -2.480 -2.238 1.00 0.00 ATOM 469 CD1 LEU A 66 4.185 -2.293 -1.259 1.00 0.00 ATOM 470 CD2 LEU A 66 6.418 -1.468 -1.898 1.00 0.00 ATOM 471 O LEU A 66 7.972 -5.904 -1.759 1.00 0.00 ATOM 472 C LEU A 66 7.455 -5.651 -2.850 1.00 0.00 ATOM 473 N GLN A 67 7.311 -6.582 -3.803 1.00 0.00 ATOM 474 CA GLN A 67 7.686 -7.933 -3.579 1.00 0.00 ATOM 475 CB GLN A 67 7.051 -8.847 -4.629 1.00 0.00 ATOM 476 CG GLN A 67 7.361 -10.322 -4.437 1.00 0.00 ATOM 477 CD GLN A 67 6.651 -11.203 -5.447 1.00 0.00 ATOM 478 OE1 GLN A 67 5.934 -10.711 -6.318 1.00 0.00 ATOM 479 NE2 GLN A 67 6.850 -12.511 -5.332 1.00 0.00 ATOM 480 O GLN A 67 9.797 -7.814 -4.692 1.00 0.00 ATOM 481 C GLN A 67 9.185 -8.077 -3.660 1.00 0.00 ATOM 482 N GLY A 68 9.809 -8.508 -2.535 1.00 0.00 ATOM 483 CA GLY A 68 11.235 -8.646 -2.450 1.00 0.00 ATOM 484 O GLY A 68 12.884 -7.758 -0.989 1.00 0.00 ATOM 485 C GLY A 68 11.789 -7.592 -1.531 1.00 0.00 ATOM 486 N PHE A 69 11.787 -5.735 -1.428 1.00 0.00 ATOM 487 CA PHE A 69 11.495 -4.761 -0.418 1.00 0.00 ATOM 488 CB PHE A 69 10.324 -3.876 -0.850 1.00 0.00 ATOM 489 CG PHE A 69 10.641 -2.975 -2.010 1.00 0.00 ATOM 490 CD1 PHE A 69 10.100 -3.217 -3.260 1.00 0.00 ATOM 491 CD2 PHE A 69 11.480 -1.886 -1.850 1.00 0.00 ATOM 492 CE1 PHE A 69 10.392 -2.389 -4.327 1.00 0.00 ATOM 493 CE2 PHE A 69 11.772 -1.058 -2.917 1.00 0.00 ATOM 494 CZ PHE A 69 11.231 -1.305 -4.152 1.00 0.00 ATOM 495 O PHE A 69 10.310 -6.327 0.911 1.00 0.00 ATOM 496 C PHE A 69 11.133 -5.419 0.858 1.00 0.00 ATOM 497 N THR A 70 11.772 -4.880 1.912 1.00 0.00 ATOM 498 CA THR A 70 11.748 -5.301 3.257 1.00 0.00 ATOM 499 CB THR A 70 13.169 -5.407 3.841 1.00 0.00 ATOM 500 CG2 THR A 70 14.012 -6.370 3.019 1.00 0.00 ATOM 501 OG1 THR A 70 13.792 -4.117 3.826 1.00 0.00 ATOM 502 O THR A 70 10.119 -3.632 3.406 1.00 0.00 ATOM 503 C THR A 70 10.959 -4.270 4.007 1.00 0.00 ATOM 504 N ASN A 71 11.117 -4.128 5.343 1.00 0.00 ATOM 505 CA ASN A 71 10.170 -3.517 6.189 1.00 0.00 ATOM 506 CB ASN A 71 10.288 -4.068 7.611 1.00 0.00 ATOM 507 CG ASN A 71 9.288 -3.442 8.564 1.00 0.00 ATOM 508 ND2 ASN A 71 8.018 -3.795 8.403 1.00 0.00 ATOM 509 OD1 ASN A 71 9.655 -2.650 9.432 1.00 0.00 ATOM 510 O ASN A 71 9.715 -1.367 5.716 1.00 0.00 ATOM 511 C ASN A 71 10.555 -2.163 6.083 1.00 0.00 ATOM 512 N GLN A 72 11.837 -1.873 6.347 1.00 0.00 ATOM 513 CA GLN A 72 12.282 -0.526 6.393 1.00 0.00 ATOM 514 CB GLN A 72 13.755 -0.462 6.800 1.00 0.00 ATOM 515 CG GLN A 72 14.014 -0.825 8.253 1.00 0.00 ATOM 516 CD GLN A 72 15.492 -0.862 8.590 1.00 0.00 ATOM 517 OE1 GLN A 72 16.342 -0.702 7.715 1.00 0.00 ATOM 518 NE2 GLN A 72 15.802 -1.072 9.864 1.00 0.00 ATOM 519 O GLN A 72 11.750 1.320 5.010 1.00 0.00 ATOM 520 C GLN A 72 12.147 0.157 5.060 1.00 0.00 ATOM 521 N GLN A 73 12.480 -0.548 3.964 1.00 0.00 ATOM 522 CA GLN A 73 12.392 -0.003 2.638 1.00 0.00 ATOM 523 CB GLN A 73 12.953 -0.992 1.614 1.00 0.00 ATOM 524 CG GLN A 73 14.460 -1.175 1.689 1.00 0.00 ATOM 525 CD GLN A 73 14.966 -2.241 0.738 1.00 0.00 ATOM 526 OE1 GLN A 73 14.180 -2.926 0.083 1.00 0.00 ATOM 527 NE2 GLN A 73 16.283 -2.386 0.659 1.00 0.00 ATOM 528 O GLN A 73 10.651 1.325 1.761 1.00 0.00 ATOM 529 C GLN A 73 10.957 0.277 2.311 1.00 0.00 ATOM 530 N ALA A 74 10.029 -0.628 2.665 1.00 0.00 ATOM 531 CA ALA A 74 8.635 -0.399 2.406 1.00 0.00 ATOM 532 CB ALA A 74 7.805 -1.578 2.891 1.00 0.00 ATOM 533 O ALA A 74 7.500 1.681 2.532 1.00 0.00 ATOM 534 C ALA A 74 8.176 0.844 3.123 1.00 0.00 ATOM 535 N VAL A 75 8.551 1.008 4.406 1.00 0.00 ATOM 536 CA VAL A 75 8.197 2.169 5.184 1.00 0.00 ATOM 537 CB VAL A 75 8.819 2.116 6.592 1.00 0.00 ATOM 538 CG1 VAL A 75 8.600 3.433 7.321 1.00 0.00 ATOM 539 CG2 VAL A 75 8.186 1.002 7.412 1.00 0.00 ATOM 540 O VAL A 75 7.926 4.375 4.332 1.00 0.00 ATOM 541 C VAL A 75 8.691 3.426 4.498 1.00 0.00 ATOM 542 N GLU A 76 9.969 3.455 4.087 1.00 0.00 ATOM 543 CA GLU A 76 10.568 4.577 3.424 1.00 0.00 ATOM 544 CB GLU A 76 12.018 4.265 3.047 1.00 0.00 ATOM 545 CG GLU A 76 12.964 4.187 4.234 1.00 0.00 ATOM 546 CD GLU A 76 14.363 3.757 3.837 1.00 0.00 ATOM 547 OE1 GLU A 76 14.573 3.448 2.645 1.00 0.00 ATOM 548 OE2 GLU A 76 15.248 3.728 4.718 1.00 0.00 ATOM 549 O GLU A 76 9.536 6.088 1.913 1.00 0.00 ATOM 550 C GLU A 76 9.807 4.914 2.159 1.00 0.00 ATOM 551 N VAL A 77 9.424 3.898 1.344 1.00 0.00 ATOM 552 CA VAL A 77 8.739 4.097 0.088 1.00 0.00 ATOM 553 CB VAL A 77 8.506 2.763 -0.645 1.00 0.00 ATOM 554 CG1 VAL A 77 7.614 2.971 -1.859 1.00 0.00 ATOM 555 CG2 VAL A 77 9.827 2.175 -1.115 1.00 0.00 ATOM 556 O VAL A 77 7.111 5.800 -0.148 1.00 0.00 ATOM 557 C VAL A 77 7.411 4.741 0.384 1.00 0.00 ATOM 558 N LEU A 78 6.603 4.152 1.277 1.00 0.00 ATOM 559 CA LEU A 78 5.326 4.676 1.678 1.00 0.00 ATOM 560 CB LEU A 78 4.685 3.775 2.736 1.00 0.00 ATOM 561 CG LEU A 78 4.232 2.392 2.264 1.00 0.00 ATOM 562 CD1 LEU A 78 3.772 1.547 3.442 1.00 0.00 ATOM 563 CD2 LEU A 78 3.076 2.510 1.283 1.00 0.00 ATOM 564 O LEU A 78 4.406 6.819 2.164 1.00 0.00 ATOM 565 C LEU A 78 5.374 6.066 2.278 1.00 0.00 ATOM 566 N ARG A 79 6.470 6.462 2.946 1.00 0.00 ATOM 567 CA ARG A 79 6.516 7.747 3.590 1.00 0.00 ATOM 568 CB ARG A 79 7.480 7.717 4.778 1.00 0.00 ATOM 569 CG ARG A 79 7.091 6.731 5.868 1.00 0.00 ATOM 570 CD ARG A 79 8.053 6.799 7.042 1.00 0.00 ATOM 571 NE ARG A 79 8.025 8.104 7.699 1.00 0.00 ATOM 572 CZ ARG A 79 8.843 8.463 8.683 1.00 0.00 ATOM 573 NH1 ARG A 79 8.744 9.671 9.220 1.00 0.00 ATOM 574 NH2 ARG A 79 9.757 7.612 9.129 1.00 0.00 ATOM 575 O ARG A 79 6.622 9.992 2.876 1.00 0.00 ATOM 576 C ARG A 79 6.976 8.831 2.667 1.00 0.00 ATOM 577 N HIS A 80 7.755 8.485 1.629 1.00 0.00 ATOM 578 CA HIS A 80 8.379 9.464 0.781 1.00 0.00 ATOM 579 CB HIS A 80 9.824 9.065 0.475 1.00 0.00 ATOM 580 CG HIS A 80 10.707 9.018 1.683 1.00 0.00 ATOM 581 CD2 HIS A 80 11.404 7.974 2.419 1.00 0.00 ATOM 582 ND1 HIS A 80 11.049 10.145 2.398 1.00 0.00 ATOM 583 CE1 HIS A 80 11.847 9.788 3.421 1.00 0.00 ATOM 584 NE2 HIS A 80 12.064 8.487 3.440 1.00 0.00 ATOM 585 O HIS A 80 7.881 10.442 -1.305 1.00 0.00 ATOM 586 C HIS A 80 7.606 9.550 -0.495 1.00 0.00 ATOM 587 N THR A 81 6.600 8.627 -0.610 1.00 0.00 ATOM 588 CA THR A 81 5.772 8.263 -1.734 1.00 0.00 ATOM 589 CB THR A 81 4.632 7.317 -1.312 1.00 0.00 ATOM 590 CG2 THR A 81 3.747 6.986 -2.504 1.00 0.00 ATOM 591 OG1 THR A 81 5.184 6.102 -0.792 1.00 0.00 ATOM 592 O THR A 81 4.891 9.470 -3.544 1.00 0.00 ATOM 593 C THR A 81 5.156 9.473 -2.349 1.00 0.00 ATOM 594 N GLY A 82 4.909 10.536 -1.555 1.00 0.00 ATOM 595 CA GLY A 82 4.446 11.773 -2.112 1.00 0.00 ATOM 596 O GLY A 82 2.519 11.272 -0.849 1.00 0.00 ATOM 597 C GLY A 82 3.025 11.963 -1.721 1.00 0.00 ATOM 598 N GLN A 83 2.333 12.944 -2.312 1.00 0.00 ATOM 599 CA GLN A 83 1.131 13.407 -1.689 1.00 0.00 ATOM 600 CB GLN A 83 0.792 14.821 -2.164 1.00 0.00 ATOM 601 CG GLN A 83 1.766 15.886 -1.689 1.00 0.00 ATOM 602 CD GLN A 83 1.438 17.262 -2.236 1.00 0.00 ATOM 603 OE1 GLN A 83 0.501 17.422 -3.018 1.00 0.00 ATOM 604 NE2 GLN A 83 2.212 18.260 -1.826 1.00 0.00 ATOM 605 O GLN A 83 -0.907 12.279 -1.269 1.00 0.00 ATOM 606 C GLN A 83 0.014 12.473 -2.058 1.00 0.00 ATOM 607 N THR A 84 0.079 11.886 -3.262 1.00 0.00 ATOM 608 CA THR A 84 -0.955 11.052 -3.802 1.00 0.00 ATOM 609 CB THR A 84 -1.395 11.531 -5.198 1.00 0.00 ATOM 610 CG2 THR A 84 -2.479 10.621 -5.756 1.00 0.00 ATOM 611 OG1 THR A 84 -1.910 12.865 -5.108 1.00 0.00 ATOM 612 O THR A 84 0.812 9.607 -4.430 1.00 0.00 ATOM 613 C THR A 84 -0.257 9.706 -3.839 1.00 0.00 ATOM 614 N VAL A 85 -0.771 8.655 -3.166 1.00 0.00 ATOM 615 CA VAL A 85 -0.091 7.382 -3.112 1.00 0.00 ATOM 616 CB VAL A 85 0.370 7.049 -1.681 1.00 0.00 ATOM 617 CG1 VAL A 85 1.059 5.693 -1.645 1.00 0.00 ATOM 618 CG2 VAL A 85 1.350 8.099 -1.179 1.00 0.00 ATOM 619 O VAL A 85 -2.160 6.264 -3.000 1.00 0.00 ATOM 620 C VAL A 85 -1.093 6.382 -3.589 1.00 0.00 ATOM 621 N LEU A 86 -0.786 5.642 -4.671 1.00 0.00 ATOM 622 CA LEU A 86 -1.666 4.616 -5.153 1.00 0.00 ATOM 623 CB LEU A 86 -1.776 4.677 -6.678 1.00 0.00 ATOM 624 CG LEU A 86 -2.728 5.730 -7.248 1.00 0.00 ATOM 625 CD1 LEU A 86 -2.371 7.114 -6.730 1.00 0.00 ATOM 626 CD2 LEU A 86 -2.655 5.756 -8.767 1.00 0.00 ATOM 627 O LEU A 86 -0.045 2.868 -5.190 1.00 0.00 ATOM 628 C LEU A 86 -1.107 3.287 -4.742 1.00 0.00 ATOM 629 N LEU A 87 -1.948 2.925 -4.360 1.00 0.00 ATOM 630 CA LEU A 87 -1.543 1.705 -3.747 1.00 0.00 ATOM 631 CB LEU A 87 -1.975 1.673 -2.280 1.00 0.00 ATOM 632 CG LEU A 87 -1.417 2.781 -1.384 1.00 0.00 ATOM 633 CD1 LEU A 87 -1.981 2.671 0.024 1.00 0.00 ATOM 634 CD2 LEU A 87 0.099 2.689 -1.297 1.00 0.00 ATOM 635 O LEU A 87 -3.422 0.544 -4.583 1.00 0.00 ATOM 636 C LEU A 87 -2.205 0.609 -4.509 1.00 0.00 ATOM 637 N THR A 88 -1.404 -0.295 -5.082 1.00 0.00 ATOM 638 CA THR A 88 -1.897 -1.495 -5.683 1.00 0.00 ATOM 639 CB THR A 88 -0.982 -1.970 -6.827 1.00 0.00 ATOM 640 CG2 THR A 88 -1.517 -3.257 -7.437 1.00 0.00 ATOM 641 OG1 THR A 88 -0.924 -0.964 -7.846 1.00 0.00 ATOM 642 O THR A 88 -0.901 -2.788 -3.998 1.00 0.00 ATOM 643 C THR A 88 -1.920 -2.490 -4.564 1.00 0.00 ATOM 644 N LEU A 89 -3.092 -2.998 -4.215 1.00 0.00 ATOM 645 CA LEU A 89 -3.283 -3.857 -3.096 1.00 0.00 ATOM 646 CB LEU A 89 -4.163 -3.179 -2.044 1.00 0.00 ATOM 647 CG LEU A 89 -3.614 -1.889 -1.431 1.00 0.00 ATOM 648 CD1 LEU A 89 -4.657 -1.231 -0.540 1.00 0.00 ATOM 649 CD2 LEU A 89 -2.382 -2.177 -0.587 1.00 0.00 ATOM 650 O LEU A 89 -4.745 -5.084 -4.494 1.00 0.00 ATOM 651 C LEU A 89 -3.948 -5.112 -3.566 1.00 0.00 ATOM 652 N MET A 90 -3.630 -6.240 -2.916 1.00 0.00 ATOM 653 CA MET A 90 -4.236 -7.519 -3.136 1.00 0.00 ATOM 654 CB MET A 90 -3.166 -8.581 -3.398 1.00 0.00 ATOM 655 CG MET A 90 -3.724 -9.948 -3.759 1.00 0.00 ATOM 656 SD MET A 90 -2.432 -11.165 -4.076 1.00 0.00 ATOM 657 CE MET A 90 -1.815 -10.599 -5.660 1.00 0.00 ATOM 658 O MET A 90 -4.557 -7.524 -0.794 1.00 0.00 ATOM 659 C MET A 90 -4.986 -7.812 -1.891 1.00 0.00 ATOM 660 N ARG 91 -6.151 -8.272 -2.080 1.00 0.00 ATOM 661 CA ARG 91 -6.993 -8.662 -1.022 1.00 0.00 ENDMDL