EXPDTA CIRCLE_TS3-scwrl MODEL 1 REMARK 44 REMARK 44 model 1 is called CIRCLE_TS3-scwrl ATOM 1 N SER A 1 10.339 10.456 -14.022 1.00 0.00 ATOM 2 CA SER A 1 9.932 9.375 -14.915 1.00 0.00 ATOM 3 CB SER A 1 11.155 8.605 -15.417 1.00 0.00 ATOM 4 OG SER A 1 11.790 7.909 -14.358 1.00 0.00 ATOM 5 O SER A 1 9.284 8.018 -13.039 1.00 0.00 ATOM 6 C SER A 1 8.998 8.379 -14.182 1.00 0.00 ATOM 7 N MET A 2 8.150 7.673 -14.935 1.00 0.00 ATOM 8 CA MET A 2 7.198 6.742 -14.348 1.00 0.00 ATOM 9 CB MET A 2 5.820 6.908 -14.991 1.00 0.00 ATOM 10 CG MET A 2 5.210 8.288 -14.805 1.00 0.00 ATOM 11 SD MET A 2 4.867 8.670 -13.077 1.00 0.00 ATOM 12 CE MET A 2 3.585 7.474 -12.714 1.00 0.00 ATOM 13 O MET A 2 8.045 4.886 -15.667 1.00 0.00 ATOM 14 C MET A 2 7.658 5.278 -14.558 1.00 0.00 ATOM 15 N SER A 3 7.744 4.558 -13.444 1.00 0.00 ATOM 16 CA SER A 3 8.109 3.134 -13.395 1.00 0.00 ATOM 17 CB SER A 3 8.942 2.837 -12.147 1.00 0.00 ATOM 18 OG SER A 3 8.172 3.000 -10.969 1.00 0.00 ATOM 19 O SER A 3 5.699 2.678 -13.483 1.00 0.00 ATOM 20 C SER A 3 6.843 2.219 -13.356 1.00 0.00 ATOM 21 N GLU A 4 7.089 0.936 -13.547 1.00 0.00 ATOM 22 CA GLU A 4 6.074 -0.096 -13.590 1.00 0.00 ATOM 23 CB GLU A 4 6.709 -1.461 -13.865 1.00 0.00 ATOM 24 CG GLU A 4 7.266 -1.614 -15.271 1.00 0.00 ATOM 25 CD GLU A 4 7.931 -2.958 -15.491 1.00 0.00 ATOM 26 OE1 GLU A 4 8.005 -3.749 -14.528 1.00 0.00 ATOM 27 OE2 GLU A 4 8.379 -3.220 -16.627 1.00 0.00 ATOM 28 O GLU A 4 5.806 0.045 -11.148 1.00 0.00 ATOM 29 C GLU A 4 5.290 -0.209 -12.258 1.00 0.00 ATOM 30 N THR A 5 4.035 -0.604 -12.403 1.00 0.00 ATOM 31 CA THR A 5 3.072 -0.819 -11.330 1.00 0.00 ATOM 32 CB THR A 5 1.745 -0.088 -11.608 1.00 0.00 ATOM 33 CG2 THR A 5 0.752 -0.342 -10.484 1.00 0.00 ATOM 34 OG1 THR A 5 1.984 1.321 -11.706 1.00 0.00 ATOM 35 O THR A 5 2.342 -2.979 -12.152 1.00 0.00 ATOM 36 C THR A 5 2.783 -2.326 -11.200 1.00 0.00 ATOM 37 N PHE A 6 2.896 -2.782 -9.977 1.00 0.00 ATOM 38 CA PHE A 6 2.672 -4.126 -9.542 1.00 0.00 ATOM 39 CB PHE A 6 3.829 -4.604 -8.662 1.00 0.00 ATOM 40 CG PHE A 6 5.132 -4.741 -9.396 1.00 0.00 ATOM 41 CD1 PHE A 6 6.032 -3.690 -9.439 1.00 0.00 ATOM 42 CD2 PHE A 6 5.459 -5.920 -10.043 1.00 0.00 ATOM 43 CE1 PHE A 6 7.231 -3.816 -10.114 1.00 0.00 ATOM 44 CE2 PHE A 6 6.658 -6.046 -10.718 1.00 0.00 ATOM 45 CZ PHE A 6 7.543 -5.000 -10.755 1.00 0.00 ATOM 46 O PHE A 6 1.185 -3.460 -7.729 1.00 0.00 ATOM 47 C PHE A 6 1.347 -4.199 -8.717 1.00 0.00 ATOM 48 N ASP A 7 0.573 -5.245 -8.935 1.00 0.00 ATOM 49 CA ASP A 7 -0.652 -5.522 -8.173 1.00 0.00 ATOM 50 CB ASP A 7 -1.688 -6.216 -9.059 1.00 0.00 ATOM 51 CG ASP A 7 -1.191 -7.537 -9.612 1.00 0.00 ATOM 52 OD1 ASP A 7 -0.085 -7.559 -10.193 1.00 0.00 ATOM 53 OD2 ASP A 7 -1.906 -8.550 -9.466 1.00 0.00 ATOM 54 O ASP A 7 0.517 -7.350 -7.032 1.00 0.00 ATOM 55 C ASP A 7 -0.329 -6.449 -6.962 1.00 0.00 ATOM 56 N VAL A 8 -1.150 -6.366 -5.948 1.00 0.00 ATOM 57 CA VAL A 8 -1.040 -7.116 -4.731 1.00 0.00 ATOM 58 CB VAL A 8 -0.696 -6.207 -3.537 1.00 0.00 ATOM 59 CG1 VAL A 8 -0.611 -7.020 -2.255 1.00 0.00 ATOM 60 CG2 VAL A 8 0.643 -5.519 -3.759 1.00 0.00 ATOM 61 O VAL A 8 -3.323 -7.237 -3.919 1.00 0.00 ATOM 62 C VAL A 8 -2.350 -7.853 -4.369 1.00 0.00 ATOM 63 N GLU A 9 -2.209 -9.167 -4.258 1.00 0.00 ATOM 64 CA GLU A 9 -3.292 -10.064 -3.900 1.00 0.00 ATOM 65 CB GLU A 9 -3.356 -11.243 -4.874 1.00 0.00 ATOM 66 CG GLU A 9 -4.491 -12.215 -4.597 1.00 0.00 ATOM 67 CD GLU A 9 -4.577 -13.319 -5.633 1.00 0.00 ATOM 68 OE1 GLU A 9 -3.741 -13.330 -6.561 1.00 0.00 ATOM 69 OE2 GLU A 9 -5.480 -14.174 -5.516 1.00 0.00 ATOM 70 O GLU A 9 -2.094 -11.339 -2.249 1.00 0.00 ATOM 71 C GLU A 9 -3.067 -10.604 -2.481 1.00 0.00 ATOM 72 N LEU A 10 -3.909 -10.182 -1.552 1.00 0.00 ATOM 73 CA LEU A 10 -3.830 -10.566 -0.151 1.00 0.00 ATOM 74 CB LEU A 10 -3.239 -9.428 0.684 1.00 0.00 ATOM 75 CG LEU A 10 -1.788 -9.049 0.382 1.00 0.00 ATOM 76 CD1 LEU A 10 -1.402 -7.773 1.115 1.00 0.00 ATOM 77 CD2 LEU A 10 -0.841 -10.155 0.822 1.00 0.00 ATOM 78 O LEU A 10 -6.235 -10.449 -0.167 1.00 0.00 ATOM 79 C LEU A 10 -5.234 -10.895 0.394 1.00 0.00 ATOM 80 N THR A 11 -5.303 -11.824 1.339 1.00 0.00 ATOM 81 CA THR A 11 -6.544 -12.173 1.994 1.00 0.00 ATOM 82 CB THR A 11 -6.510 -13.613 2.538 1.00 0.00 ATOM 83 CG2 THR A 11 -6.335 -14.608 1.401 1.00 0.00 ATOM 84 OG1 THR A 11 -5.415 -13.756 3.451 1.00 0.00 ATOM 85 O THR A 11 -5.944 -11.018 4.010 1.00 0.00 ATOM 86 C THR A 11 -6.837 -11.253 3.170 1.00 0.00 ATOM 87 N LYS A 12 -8.118 -10.841 3.306 1.00 0.00 ATOM 88 CA LYS A 12 -8.532 -9.981 4.400 1.00 0.00 ATOM 89 CB LYS A 12 -10.015 -9.626 4.271 1.00 0.00 ATOM 90 CG LYS A 12 -10.517 -8.662 5.333 1.00 0.00 ATOM 91 CD LYS A 12 -11.970 -8.287 5.096 1.00 0.00 ATOM 92 CE LYS A 12 -12.495 -7.383 6.200 1.00 0.00 ATOM 93 NZ LYS A 12 -13.897 -6.951 5.945 1.00 0.00 ATOM 94 O LYS A 12 -9.024 -11.708 6.022 1.00 0.00 ATOM 95 C LYS A 12 -8.278 -10.772 5.697 1.00 0.00 ATOM 96 N ASN A 13 -7.431 -10.169 6.534 1.00 0.00 ATOM 97 CA ASN A 13 -7.025 -10.709 7.805 1.00 0.00 ATOM 98 CB ASN A 13 -5.730 -10.047 8.279 1.00 0.00 ATOM 99 CG ASN A 13 -5.057 -10.818 9.398 1.00 0.00 ATOM 100 ND2 ASN A 13 -4.375 -10.100 10.283 1.00 0.00 ATOM 101 OD1 ASN A 13 -5.150 -12.044 9.463 1.00 0.00 ATOM 102 O ASN A 13 -9.250 -10.153 8.602 1.00 0.00 ATOM 103 C ASN A 13 -8.091 -10.490 8.917 1.00 0.00 ATOM 104 N VAL A 14 -7.907 -11.269 9.981 1.00 0.00 ATOM 105 CA VAL A 14 -8.739 -11.148 11.186 1.00 0.00 ATOM 106 CB VAL A 14 -8.110 -11.885 12.383 1.00 0.00 ATOM 107 CG1 VAL A 14 -8.872 -11.572 13.661 1.00 0.00 ATOM 108 CG2 VAL A 14 -8.143 -13.389 12.159 1.00 0.00 ATOM 109 O VAL A 14 -9.933 -9.235 12.032 1.00 0.00 ATOM 110 C VAL A 14 -8.871 -9.628 11.527 1.00 0.00 ATOM 111 N GLN A 15 -7.752 -8.874 11.506 1.00 0.00 ATOM 112 CA GLN A 15 -7.682 -7.444 11.697 1.00 0.00 ATOM 113 CB GLN A 15 -6.274 -7.030 12.130 1.00 0.00 ATOM 114 CG GLN A 15 -5.881 -7.521 13.514 1.00 0.00 ATOM 115 CD GLN A 15 -4.439 -7.202 13.857 1.00 0.00 ATOM 116 OE1 GLN A 15 -3.801 -6.382 13.198 1.00 0.00 ATOM 117 NE2 GLN A 15 -3.922 -7.851 14.894 1.00 0.00 ATOM 118 O GLN A 15 -8.078 -5.401 10.526 1.00 0.00 ATOM 119 C GLN A 15 -8.021 -6.639 10.400 1.00 0.00 ATOM 120 N GLY A 16 -8.511 -7.249 9.294 1.00 0.00 ATOM 121 CA GLY A 16 -8.809 -6.394 8.141 1.00 0.00 ATOM 122 O GLY A 16 -7.327 -4.593 7.510 1.00 0.00 ATOM 123 C GLY A 16 -7.543 -5.815 7.444 1.00 0.00 ATOM 124 N LEU A 17 -6.610 -6.691 7.048 1.00 0.00 ATOM 125 CA LEU A 17 -5.352 -6.336 6.434 1.00 0.00 ATOM 126 CB LEU A 17 -5.579 -5.378 5.263 1.00 0.00 ATOM 127 CG LEU A 17 -6.375 -5.932 4.079 1.00 0.00 ATOM 128 CD1 LEU A 17 -6.640 -4.841 3.052 1.00 0.00 ATOM 129 CD2 LEU A 17 -5.609 -7.053 3.393 1.00 0.00 ATOM 130 O LEU A 17 -3.988 -6.268 8.378 1.00 0.00 ATOM 131 C LEU A 17 -4.333 -5.627 7.379 1.00 0.00 ATOM 132 N GLY A 18 -4.184 -4.305 7.324 1.00 0.00 ATOM 133 CA GLY A 18 -3.169 -3.637 8.114 1.00 0.00 ATOM 134 O GLY A 18 -1.077 -2.799 7.353 1.00 0.00 ATOM 135 C GLY A 18 -2.293 -2.621 7.304 1.00 0.00 ATOM 136 N ILE A 19 -2.863 -1.985 6.284 1.00 0.00 ATOM 137 CA ILE A 19 -2.253 -0.933 5.445 1.00 0.00 ATOM 138 CB ILE A 19 -2.641 -1.097 3.964 1.00 0.00 ATOM 139 CG1 ILE A 19 -2.167 -2.453 3.435 1.00 0.00 ATOM 140 CG2 ILE A 19 -2.003 -0.002 3.122 1.00 0.00 ATOM 141 CD1 ILE A 19 -2.691 -2.787 2.056 1.00 0.00 ATOM 142 O ILE A 19 -3.992 0.657 6.005 1.00 0.00 ATOM 143 C ILE A 19 -2.769 0.430 5.969 1.00 0.00 ATOM 144 N THR A 20 -1.876 1.188 6.647 1.00 0.00 ATOM 145 CA THR A 20 -2.234 2.532 7.141 1.00 0.00 ATOM 146 CB THR A 20 -1.358 2.945 8.338 1.00 0.00 ATOM 147 CG2 THR A 20 -1.844 4.262 8.925 1.00 0.00 ATOM 148 OG1 THR A 20 -1.422 1.934 9.352 1.00 0.00 ATOM 149 O THR A 20 -1.179 4.417 6.069 1.00 0.00 ATOM 150 C THR A 20 -2.030 3.545 6.003 1.00 0.00 ATOM 151 N ILE A 21 -2.976 3.549 5.041 1.00 0.00 ATOM 152 CA ILE A 21 -2.827 4.502 3.979 1.00 0.00 ATOM 153 CB ILE A 21 -3.531 4.029 2.694 1.00 0.00 ATOM 154 CG1 ILE A 21 -2.893 2.737 2.180 1.00 0.00 ATOM 155 CG2 ILE A 21 -3.420 5.087 1.606 1.00 0.00 ATOM 156 CD1 ILE A 21 -3.684 2.059 1.083 1.00 0.00 ATOM 157 O ILE A 21 -4.653 5.915 4.653 1.00 0.00 ATOM 158 C ILE A 21 -3.438 5.840 4.398 1.00 0.00 ATOM 159 N ALA A 22 -2.770 6.864 3.926 1.00 0.00 ATOM 160 CA ALA A 22 -3.177 8.247 4.150 1.00 0.00 ATOM 161 CB ALA A 22 -2.178 8.954 5.054 1.00 0.00 ATOM 162 O ALA A 22 -2.677 8.596 1.770 1.00 0.00 ATOM 163 C ALA A 22 -3.249 9.006 2.798 1.00 0.00 ATOM 164 N GLY A 23 -4.239 9.905 2.754 1.00 0.00 ATOM 165 CA GLY A 23 -4.385 10.711 1.568 1.00 0.00 ATOM 166 O GLY A 23 -2.529 12.078 2.413 1.00 0.00 ATOM 167 C GLY A 23 -3.106 11.576 1.407 1.00 0.00 ATOM 168 N TYR A 24 -2.619 11.701 0.179 1.00 0.00 ATOM 169 CA TYR A 24 -1.485 12.529 -0.168 1.00 0.00 ATOM 170 CB TYR A 24 -1.319 12.601 -1.687 1.00 0.00 ATOM 171 CG TYR A 24 -0.770 11.335 -2.304 1.00 0.00 ATOM 172 CD1 TYR A 24 -1.603 10.459 -2.989 1.00 0.00 ATOM 173 CD2 TYR A 24 0.578 11.019 -2.200 1.00 0.00 ATOM 174 CE1 TYR A 24 -1.110 9.299 -3.556 1.00 0.00 ATOM 175 CE2 TYR A 24 1.089 9.864 -2.761 1.00 0.00 ATOM 176 CZ TYR A 24 0.231 9.002 -3.443 1.00 0.00 ATOM 177 OH TYR A 24 0.724 7.848 -4.007 1.00 0.00 ATOM 178 O TYR A 24 -0.620 14.593 0.535 1.00 0.00 ATOM 179 C TYR A 24 -1.653 13.965 0.358 1.00 0.00 ATOM 180 N ILE A 25 -2.835 14.582 0.256 1.00 0.00 ATOM 181 CA ILE A 25 -3.076 15.911 0.822 1.00 0.00 ATOM 182 CB ILE A 25 -4.580 16.240 0.869 1.00 0.00 ATOM 183 CG1 ILE A 25 -5.142 16.366 -0.548 1.00 0.00 ATOM 184 CG2 ILE A 25 -4.815 17.554 1.599 1.00 0.00 ATOM 185 CD1 ILE A 25 -6.654 16.408 -0.604 1.00 0.00 ATOM 186 O ILE A 25 -1.875 16.935 2.619 1.00 0.00 ATOM 187 C ILE A 25 -2.502 15.916 2.258 1.00 0.00 ATOM 188 N GLY A 26 -2.947 14.986 3.141 1.00 0.00 ATOM 189 CA GLY A 26 -2.386 14.888 4.462 1.00 0.00 ATOM 190 O GLY A 26 -0.287 14.819 5.566 1.00 0.00 ATOM 191 C GLY A 26 -0.864 14.585 4.501 1.00 0.00 ATOM 192 N ASP A 27 -0.210 14.232 3.373 1.00 0.00 ATOM 193 CA ASP A 27 1.182 13.902 3.271 1.00 0.00 ATOM 194 CB ASP A 27 1.404 12.843 2.189 1.00 0.00 ATOM 195 CG ASP A 27 2.814 12.286 2.200 1.00 0.00 ATOM 196 OD1 ASP A 27 3.763 13.069 1.991 1.00 0.00 ATOM 197 OD2 ASP A 27 2.969 11.066 2.417 1.00 0.00 ATOM 198 O ASP A 27 1.570 16.034 2.360 1.00 0.00 ATOM 199 C ASP A 27 2.114 15.102 2.903 1.00 0.00 ATOM 200 N LYS A 28 3.171 15.200 3.762 1.00 0.00 ATOM 201 CA LYS A 28 4.359 16.114 3.765 1.00 0.00 ATOM 202 CB LYS A 28 5.542 15.457 3.051 1.00 0.00 ATOM 203 CG LYS A 28 6.076 14.216 3.748 1.00 0.00 ATOM 204 CD LYS A 28 7.249 13.618 2.988 1.00 0.00 ATOM 205 CE LYS A 28 7.753 12.351 3.659 1.00 0.00 ATOM 206 NZ LYS A 28 8.872 11.728 2.900 1.00 0.00 ATOM 207 O LYS A 28 5.214 17.999 2.724 1.00 0.00 ATOM 208 C LYS A 28 4.178 17.444 3.092 1.00 0.00 ATOM 209 N LYS A 29 3.026 18.050 3.144 1.00 0.00 ATOM 210 CA LYS A 29 2.836 19.168 2.263 1.00 0.00 ATOM 211 CB LYS A 29 3.905 20.234 2.512 1.00 0.00 ATOM 212 CG LYS A 29 3.805 20.909 3.870 1.00 0.00 ATOM 213 CD LYS A 29 5.000 21.812 4.127 1.00 0.00 ATOM 214 CE LYS A 29 4.908 22.474 5.492 1.00 0.00 ATOM 215 NZ LYS A 29 6.142 23.238 5.823 1.00 0.00 ATOM 216 O LYS A 29 2.945 19.273 -0.147 1.00 0.00 ATOM 217 C LYS A 29 2.962 18.533 0.836 1.00 0.00 ATOM 218 N LEU A 30 3.260 17.183 0.662 1.00 0.00 ATOM 219 CA LEU A 30 3.287 16.439 -0.577 1.00 0.00 ATOM 220 CB LEU A 30 3.227 14.935 -0.301 1.00 0.00 ATOM 221 CG LEU A 30 3.310 14.018 -1.522 1.00 0.00 ATOM 222 CD1 LEU A 30 4.641 14.194 -2.238 1.00 0.00 ATOM 223 CD2 LEU A 30 3.183 12.560 -1.109 1.00 0.00 ATOM 224 O LEU A 30 2.193 17.682 -2.303 1.00 0.00 ATOM 225 C LEU A 30 2.039 16.972 -1.258 1.00 0.00 ATOM 226 N GLU A 31 0.946 16.891 -0.518 1.00 0.00 ATOM 227 CA GLU A 31 -0.261 17.401 -0.918 1.00 0.00 ATOM 228 CB GLU A 31 -0.158 18.912 -1.138 1.00 0.00 ATOM 229 CG GLU A 31 0.156 19.702 0.122 1.00 0.00 ATOM 230 CD GLU A 31 0.289 21.189 -0.141 1.00 0.00 ATOM 231 OE1 GLU A 31 0.104 21.605 -1.304 1.00 0.00 ATOM 232 OE2 GLU A 31 0.576 21.939 0.816 1.00 0.00 ATOM 233 O GLU A 31 -1.525 17.318 -2.779 1.00 0.00 ATOM 234 C GLU A 31 -0.651 16.723 -2.214 1.00 0.00 ATOM 235 N PRO A 32 0.084 15.765 -2.953 1.00 0.00 ATOM 236 CA PRO A 32 -0.607 15.261 -4.080 1.00 0.00 ATOM 237 CB PRO A 32 0.353 14.226 -4.670 1.00 0.00 ATOM 238 CG PRO A 32 1.696 14.627 -4.159 1.00 0.00 ATOM 239 CD PRO A 32 1.467 15.188 -2.783 1.00 0.00 ATOM 240 O PRO A 32 -2.463 14.842 -2.588 1.00 0.00 ATOM 241 C PRO A 32 -1.967 14.604 -3.688 1.00 0.00 ATOM 242 N SER A 33 -2.759 14.427 -4.726 1.00 0.00 ATOM 243 CA SER A 33 -4.047 13.743 -4.641 1.00 0.00 ATOM 244 CB SER A 33 -4.914 14.081 -5.855 1.00 0.00 ATOM 245 OG SER A 33 -4.360 13.545 -7.044 1.00 0.00 ATOM 246 O SER A 33 -2.878 11.720 -5.322 1.00 0.00 ATOM 247 C SER A 33 -3.772 12.209 -4.600 1.00 0.00 ATOM 248 N GLY A 34 -4.782 11.452 -4.168 1.00 0.00 ATOM 249 CA GLY A 34 -4.689 9.962 -4.063 1.00 0.00 ATOM 250 O GLY A 34 -4.140 10.268 -1.766 1.00 0.00 ATOM 251 C GLY A 34 -4.153 9.491 -2.687 1.00 0.00 ATOM 252 N ILE A 35 -4.250 8.179 -2.577 1.00 0.00 ATOM 253 CA ILE A 35 -3.957 7.284 -1.473 1.00 0.00 ATOM 254 CB ILE A 35 -4.859 6.036 -1.504 1.00 0.00 ATOM 255 CG1 ILE A 35 -6.333 6.442 -1.463 1.00 0.00 ATOM 256 CG2 ILE A 35 -4.572 5.142 -0.307 1.00 0.00 ATOM 257 CD1 ILE A 35 -6.719 7.216 -0.222 1.00 0.00 ATOM 258 O ILE A 35 -2.105 6.201 -2.537 1.00 0.00 ATOM 259 C ILE A 35 -2.480 6.794 -1.517 1.00 0.00 ATOM 260 N PHE A 36 -1.684 6.772 -0.407 1.00 0.00 ATOM 261 CA PHE A 36 -0.265 6.246 -0.343 1.00 0.00 ATOM 262 CB PHE A 36 0.735 7.404 -0.318 1.00 0.00 ATOM 263 CG PHE A 36 0.593 8.301 0.878 1.00 0.00 ATOM 264 CD1 PHE A 36 1.325 8.066 2.029 1.00 0.00 ATOM 265 CD2 PHE A 36 -0.272 9.381 0.852 1.00 0.00 ATOM 266 CE1 PHE A 36 1.195 8.892 3.129 1.00 0.00 ATOM 267 CE2 PHE A 36 -0.403 10.207 1.953 1.00 0.00 ATOM 268 CZ PHE A 36 0.326 9.966 3.088 1.00 0.00 ATOM 269 O PHE A 36 -0.460 5.869 2.125 1.00 0.00 ATOM 270 C PHE A 36 -0.173 5.387 1.009 1.00 0.00 ATOM 271 N VAL A 37 0.592 4.322 0.952 1.00 0.00 ATOM 272 CA VAL A 37 0.810 3.385 2.069 1.00 0.00 ATOM 273 CB VAL A 37 1.478 2.082 1.591 1.00 0.00 ATOM 274 CG1 VAL A 37 1.726 1.148 2.765 1.00 0.00 ATOM 275 CG2 VAL A 37 0.589 1.366 0.586 1.00 0.00 ATOM 276 O VAL A 37 2.771 4.670 2.685 1.00 0.00 ATOM 277 C VAL A 37 1.753 4.136 3.099 1.00 0.00 ATOM 278 N LYS A 38 1.230 4.518 4.284 1.00 0.00 ATOM 279 CA LYS A 38 2.048 5.144 5.324 1.00 0.00 ATOM 280 CB LYS A 38 1.207 6.114 6.156 1.00 0.00 ATOM 281 CG LYS A 38 1.989 6.847 7.233 1.00 0.00 ATOM 282 CD LYS A 38 1.133 7.903 7.915 1.00 0.00 ATOM 283 CE LYS A 38 1.921 8.648 8.980 1.00 0.00 ATOM 284 NZ LYS A 38 1.138 9.772 9.565 1.00 0.00 ATOM 285 O LYS A 38 3.833 4.405 6.754 1.00 0.00 ATOM 286 C LYS A 38 2.694 4.151 6.339 1.00 0.00 ATOM 287 N SER A 39 2.006 3.116 6.718 1.00 0.00 ATOM 288 CA SER A 39 2.500 2.132 7.711 1.00 0.00 ATOM 289 CB SER A 39 2.001 2.489 9.113 1.00 0.00 ATOM 290 OG SER A 39 2.436 1.535 10.067 1.00 0.00 ATOM 291 O SER A 39 0.911 0.572 6.700 1.00 0.00 ATOM 292 C SER A 39 1.984 0.733 7.332 1.00 0.00 ATOM 293 N ILE A 40 2.814 -0.208 7.674 1.00 0.00 ATOM 294 CA ILE A 40 2.503 -1.595 7.424 1.00 0.00 ATOM 295 CB ILE A 40 3.588 -2.271 6.565 1.00 0.00 ATOM 296 CG1 ILE A 40 3.721 -1.559 5.217 1.00 0.00 ATOM 297 CG2 ILE A 40 3.233 -3.727 6.307 1.00 0.00 ATOM 298 CD1 ILE A 40 4.885 -2.046 4.382 1.00 0.00 ATOM 299 O ILE A 40 3.447 -2.293 9.538 1.00 0.00 ATOM 300 C ILE A 40 2.423 -2.274 8.850 1.00 0.00 ATOM 301 N THR A 41 1.240 -2.718 9.361 1.00 0.00 ATOM 302 CA THR A 41 1.101 -3.391 10.691 1.00 0.00 ATOM 303 CB THR A 41 -0.375 -3.505 11.114 1.00 0.00 ATOM 304 CG2 THR A 41 -0.489 -4.176 12.475 1.00 0.00 ATOM 305 OG1 THR A 41 -0.956 -2.198 11.192 1.00 0.00 ATOM 306 O THR A 41 1.610 -5.466 9.564 1.00 0.00 ATOM 307 C THR A 41 1.703 -4.811 10.597 1.00 0.00 ATOM 308 N LYS A 42 2.537 -5.087 11.642 1.00 0.00 ATOM 309 CA LYS A 42 3.194 -6.341 11.652 1.00 0.00 ATOM 310 CB LYS A 42 3.890 -6.571 12.995 1.00 0.00 ATOM 311 CG LYS A 42 4.666 -7.875 13.077 1.00 0.00 ATOM 312 CD LYS A 42 5.370 -8.015 14.417 1.00 0.00 ATOM 313 CE LYS A 42 6.117 -9.336 14.512 1.00 0.00 ATOM 314 NZ LYS A 42 6.834 -9.475 15.810 1.00 0.00 ATOM 315 O LYS A 42 2.576 -8.382 10.550 1.00 0.00 ATOM 316 C LYS A 42 2.259 -7.572 11.431 1.00 0.00 ATOM 317 N SER A 43 1.262 -7.820 12.286 1.00 0.00 ATOM 318 CA SER A 43 0.354 -8.918 12.093 1.00 0.00 ATOM 319 CB SER A 43 -0.281 -9.329 13.423 1.00 0.00 ATOM 320 OG SER A 43 0.703 -9.769 14.343 1.00 0.00 ATOM 321 O SER A 43 -1.919 -8.388 11.492 1.00 0.00 ATOM 322 C SER A 43 -0.732 -8.462 11.121 1.00 0.00 ATOM 323 N SER A 44 -0.399 -8.348 9.862 1.00 0.00 ATOM 324 CA SER A 44 -1.221 -7.842 8.781 1.00 0.00 ATOM 325 CB SER A 44 -1.087 -6.322 8.673 1.00 0.00 ATOM 326 OG SER A 44 0.212 -5.953 8.242 1.00 0.00 ATOM 327 O SER A 44 0.430 -8.725 7.292 1.00 0.00 ATOM 328 C SER A 44 -0.767 -8.482 7.464 1.00 0.00 ATOM 329 N ALA A 45 -1.733 -8.967 6.701 1.00 0.00 ATOM 330 CA ALA A 45 -1.420 -9.580 5.377 1.00 0.00 ATOM 331 CB ALA A 45 -2.700 -9.836 4.596 1.00 0.00 ATOM 332 O ALA A 45 0.371 -9.155 3.901 1.00 0.00 ATOM 333 C ALA A 45 -0.515 -8.616 4.565 1.00 0.00 ATOM 334 N VAL A 46 -0.972 -7.406 4.257 1.00 0.00 ATOM 335 CA VAL A 46 -0.066 -6.496 3.583 1.00 0.00 ATOM 336 CB VAL A 46 -0.496 -5.029 3.771 1.00 0.00 ATOM 337 CG1 VAL A 46 -0.343 -4.612 5.225 1.00 0.00 ATOM 338 CG2 VAL A 46 0.360 -4.109 2.914 1.00 0.00 ATOM 339 O VAL A 46 2.248 -6.643 3.187 1.00 0.00 ATOM 340 C VAL A 46 1.370 -6.582 4.077 1.00 0.00 ATOM 341 N GLU A 47 1.628 -6.487 5.363 1.00 0.00 ATOM 342 CA GLU A 47 2.979 -6.632 5.916 1.00 0.00 ATOM 343 CB GLU A 47 2.943 -6.565 7.444 1.00 0.00 ATOM 344 CG GLU A 47 4.308 -6.398 8.091 1.00 0.00 ATOM 345 CD GLU A 47 5.048 -7.713 8.237 1.00 0.00 ATOM 346 OE1 GLU A 47 4.439 -8.685 8.731 1.00 0.00 ATOM 347 OE2 GLU A 47 6.237 -7.771 7.859 1.00 0.00 ATOM 348 O GLU A 47 4.750 -8.035 5.191 1.00 0.00 ATOM 349 C GLU A 47 3.556 -8.009 5.475 1.00 0.00 ATOM 350 N HIS A 48 2.862 -9.126 5.791 1.00 0.00 ATOM 351 CA HIS A 48 3.255 -10.486 5.388 1.00 0.00 ATOM 352 CB HIS A 48 2.067 -11.443 5.503 1.00 0.00 ATOM 353 CG HIS A 48 2.378 -12.846 5.082 1.00 0.00 ATOM 354 CD2 HIS A 48 2.128 -13.655 3.898 1.00 0.00 ATOM 355 ND1 HIS A 48 3.063 -13.730 5.888 1.00 0.00 ATOM 356 CE1 HIS A 48 3.189 -14.903 5.242 1.00 0.00 ATOM 357 NE2 HIS A 48 2.631 -14.865 4.048 1.00 0.00 ATOM 358 O HIS A 48 4.743 -11.267 3.644 1.00 0.00 ATOM 359 C HIS A 48 3.768 -10.537 3.894 1.00 0.00 ATOM 360 N ASP A 49 3.109 -9.894 2.922 1.00 0.00 ATOM 361 CA ASP A 49 3.510 -9.809 1.544 1.00 0.00 ATOM 362 CB ASP A 49 2.665 -8.770 0.803 1.00 0.00 ATOM 363 CG ASP A 49 2.885 -8.803 -0.696 1.00 0.00 ATOM 364 OD1 ASP A 49 3.689 -9.638 -1.161 1.00 0.00 ATOM 365 OD2 ASP A 49 2.252 -7.995 -1.407 1.00 0.00 ATOM 366 O ASP A 49 5.710 -10.222 0.801 1.00 0.00 ATOM 367 C ASP A 49 4.997 -9.398 1.357 1.00 0.00 ATOM 368 N GLY A 50 5.471 -8.268 1.912 1.00 0.00 ATOM 369 CA GLY A 50 6.866 -7.825 1.695 1.00 0.00 ATOM 370 O GLY A 50 7.707 -5.775 0.920 1.00 0.00 ATOM 371 C GLY A 50 7.022 -6.725 0.651 1.00 0.00 ATOM 372 N ARG A 51 6.159 -6.745 -0.367 1.00 0.00 ATOM 373 CA ARG A 51 6.220 -5.788 -1.411 1.00 0.00 ATOM 374 CB ARG A 51 5.510 -6.312 -2.661 1.00 0.00 ATOM 375 CG ARG A 51 6.239 -7.449 -3.358 1.00 0.00 ATOM 376 CD ARG A 51 5.435 -7.984 -4.531 1.00 0.00 ATOM 377 NE ARG A 51 6.144 -9.045 -5.243 1.00 0.00 ATOM 378 CZ ARG A 51 5.613 -9.774 -6.219 1.00 0.00 ATOM 379 NH1 ARG A 51 6.334 -10.718 -6.809 1.00 0.00 ATOM 380 NH2 ARG A 51 4.362 -9.557 -6.603 1.00 0.00 ATOM 381 O ARG A 51 6.035 -3.436 -1.418 1.00 0.00 ATOM 382 C ARG A 51 5.534 -4.468 -0.972 1.00 0.00 ATOM 383 N ILE A 52 4.444 -4.458 -0.206 1.00 0.00 ATOM 384 CA ILE A 52 3.928 -3.175 0.178 1.00 0.00 ATOM 385 CB ILE A 52 2.687 -3.313 1.079 1.00 0.00 ATOM 386 CG1 ILE A 52 1.560 -4.026 0.329 1.00 0.00 ATOM 387 CG2 ILE A 52 2.187 -1.942 1.510 1.00 0.00 ATOM 388 CD1 ILE A 52 1.104 -3.303 -0.920 1.00 0.00 ATOM 389 O ILE A 52 5.592 -2.900 1.930 1.00 0.00 ATOM 390 C ILE A 52 5.021 -2.414 0.950 1.00 0.00 ATOM 391 N GLN A 53 5.321 -1.230 0.460 1.00 0.00 ATOM 392 CA GLN A 53 6.398 -0.438 1.022 1.00 0.00 ATOM 393 CB GLN A 53 7.524 -0.263 0.001 1.00 0.00 ATOM 394 CG GLN A 53 8.211 -1.560 -0.394 1.00 0.00 ATOM 395 CD GLN A 53 9.342 -1.343 -1.380 1.00 0.00 ATOM 396 OE1 GLN A 53 9.622 -0.213 -1.780 1.00 0.00 ATOM 397 NE2 GLN A 53 9.996 -2.429 -1.776 1.00 0.00 ATOM 398 O GLN A 53 5.042 1.542 0.773 1.00 0.00 ATOM 399 C GLN A 53 5.917 0.972 1.440 1.00 0.00 ATOM 400 N ILE A 54 6.438 1.473 2.560 1.00 0.00 ATOM 401 CA ILE A 54 6.071 2.844 3.037 1.00 0.00 ATOM 402 CB ILE A 54 6.908 3.258 4.262 1.00 0.00 ATOM 403 CG1 ILE A 54 6.577 2.367 5.460 1.00 0.00 ATOM 404 CG2 ILE A 54 6.618 4.703 4.641 1.00 0.00 ATOM 405 CD1 ILE A 54 7.509 2.555 6.637 1.00 0.00 ATOM 406 O ILE A 54 7.282 3.732 1.122 1.00 0.00 ATOM 407 C ILE A 54 6.331 3.859 1.878 1.00 0.00 ATOM 408 N GLY A 55 5.242 4.562 1.552 1.00 0.00 ATOM 409 CA GLY A 55 5.191 5.620 0.534 1.00 0.00 ATOM 410 O GLY A 55 4.788 5.987 -1.790 1.00 0.00 ATOM 411 C GLY A 55 4.731 5.150 -0.878 1.00 0.00 ATOM 412 N ASP A 56 4.162 3.960 -1.050 1.00 0.00 ATOM 413 CA ASP A 56 3.725 3.407 -2.290 1.00 0.00 ATOM 414 CB ASP A 56 3.941 1.892 -2.307 1.00 0.00 ATOM 415 CG ASP A 56 3.658 1.279 -3.664 1.00 0.00 ATOM 416 OD1 ASP A 56 2.580 1.558 -4.230 1.00 0.00 ATOM 417 OD2 ASP A 56 4.515 0.519 -4.162 1.00 0.00 ATOM 418 O ASP A 56 1.370 3.160 -1.772 1.00 0.00 ATOM 419 C ASP A 56 2.211 3.707 -2.479 1.00 0.00 ATOM 420 N GLN A 57 1.865 4.461 -3.546 1.00 0.00 ATOM 421 CA GLN A 57 0.512 4.844 -3.878 1.00 0.00 ATOM 422 CB GLN A 57 0.513 5.991 -4.890 1.00 0.00 ATOM 423 CG GLN A 57 -0.874 6.478 -5.278 1.00 0.00 ATOM 424 CD GLN A 57 -0.833 7.694 -6.183 1.00 0.00 ATOM 425 OE1 GLN A 57 0.219 8.306 -6.368 1.00 0.00 ATOM 426 NE2 GLN A 57 -1.980 8.047 -6.750 1.00 0.00 ATOM 427 O GLN A 57 0.173 3.056 -5.441 1.00 0.00 ATOM 428 C GLN A 57 -0.289 3.681 -4.496 1.00 0.00 ATOM 429 N ILE A 58 -1.569 3.621 -4.133 1.00 0.00 ATOM 430 CA ILE A 58 -2.487 2.650 -4.669 1.00 0.00 ATOM 431 CB ILE A 58 -3.339 2.006 -3.559 1.00 0.00 ATOM 432 CG1 ILE A 58 -2.445 1.272 -2.559 1.00 0.00 ATOM 433 CG2 ILE A 58 -4.320 1.007 -4.153 1.00 0.00 ATOM 434 CD1 ILE A 58 -3.172 0.806 -1.317 1.00 0.00 ATOM 435 O ILE A 58 -3.978 4.426 -5.476 1.00 0.00 ATOM 436 C ILE A 58 -3.467 3.317 -5.698 1.00 0.00 ATOM 437 N ILE A 59 -3.497 2.712 -6.863 1.00 0.00 ATOM 438 CA ILE A 59 -4.427 3.111 -7.935 1.00 0.00 ATOM 439 CB ILE A 59 -3.777 2.977 -9.325 1.00 0.00 ATOM 440 CG1 ILE A 59 -2.640 3.988 -9.481 1.00 0.00 ATOM 441 CG2 ILE A 59 -4.803 3.232 -10.419 1.00 0.00 ATOM 442 CD1 ILE A 59 -1.781 3.756 -10.705 1.00 0.00 ATOM 443 O ILE A 59 -6.738 2.758 -8.442 1.00 0.00 ATOM 444 C ILE A 59 -5.732 2.227 -7.948 1.00 0.00 ATOM 445 N ALA A 60 -5.710 0.935 -7.576 1.00 0.00 ATOM 446 CA ALA A 60 -6.915 0.086 -7.623 1.00 0.00 ATOM 447 CB ALA A 60 -6.873 -0.828 -8.838 1.00 0.00 ATOM 448 O ALA A 60 -6.051 -1.112 -5.710 1.00 0.00 ATOM 449 C ALA A 60 -7.059 -0.822 -6.363 1.00 0.00 ATOM 450 N VAL A 61 -8.291 -1.044 -5.876 1.00 0.00 ATOM 451 CA VAL A 61 -8.566 -1.895 -4.696 1.00 0.00 ATOM 452 CB VAL A 61 -8.941 -1.049 -3.465 1.00 0.00 ATOM 453 CG1 VAL A 61 -9.245 -1.946 -2.275 1.00 0.00 ATOM 454 CG2 VAL A 61 -7.797 -0.121 -3.088 1.00 0.00 ATOM 455 O VAL A 61 -10.909 -2.360 -5.060 1.00 0.00 ATOM 456 C VAL A 61 -9.746 -2.840 -5.036 1.00 0.00 ATOM 457 N ASP A 62 -9.510 -4.157 -5.076 1.00 0.00 ATOM 458 CA ASP A 62 -10.543 -5.135 -5.474 1.00 0.00 ATOM 459 CB ASP A 62 -11.662 -5.186 -4.432 1.00 0.00 ATOM 460 CG ASP A 62 -12.538 -6.415 -4.578 1.00 0.00 ATOM 461 OD1 ASP A 62 -12.106 -7.376 -5.248 1.00 0.00 ATOM 462 OD2 ASP A 62 -13.657 -6.416 -4.022 1.00 0.00 ATOM 463 O ASP A 62 -12.346 -5.145 -7.076 1.00 0.00 ATOM 464 C ASP A 62 -11.189 -4.772 -6.846 1.00 0.00 ATOM 465 N GLY A 63 -10.377 -4.461 -7.852 1.00 0.00 ATOM 466 CA GLY A 63 -10.821 -4.004 -9.161 1.00 0.00 ATOM 467 O GLY A 63 -12.391 -2.421 -10.072 1.00 0.00 ATOM 468 C GLY A 63 -11.627 -2.654 -9.138 1.00 0.00 ATOM 469 N THR A 64 -11.516 -1.811 -8.068 1.00 0.00 ATOM 470 CA THR A 64 -12.169 -0.513 -7.995 1.00 0.00 ATOM 471 CB THR A 64 -12.871 -0.310 -6.640 1.00 0.00 ATOM 472 CG2 THR A 64 -13.533 1.058 -6.582 1.00 0.00 ATOM 473 OG1 THR A 64 -13.874 -1.318 -6.462 1.00 0.00 ATOM 474 O THR A 64 -10.636 1.075 -7.125 1.00 0.00 ATOM 475 C THR A 64 -11.166 0.603 -8.165 1.00 0.00 ATOM 476 N ASN A 65 -11.234 1.260 -9.357 1.00 0.00 ATOM 477 CA ASN A 65 -10.351 2.350 -9.719 1.00 0.00 ATOM 478 CB ASN A 65 -10.708 2.891 -11.105 1.00 0.00 ATOM 479 CG ASN A 65 -9.696 3.898 -11.615 1.00 0.00 ATOM 480 ND2 ASN A 65 -9.661 4.085 -12.930 1.00 0.00 ATOM 481 OD1 ASN A 65 -8.957 4.499 -10.836 1.00 0.00 ATOM 482 O ASN A 65 -11.639 3.980 -8.442 1.00 0.00 ATOM 483 C ASN A 65 -10.540 3.440 -8.654 1.00 0.00 ATOM 484 N LEU A 66 -9.441 3.717 -8.000 1.00 0.00 ATOM 485 CA LEU A 66 -9.285 4.715 -6.910 1.00 0.00 ATOM 486 CB LEU A 66 -8.104 4.346 -6.010 1.00 0.00 ATOM 487 CG LEU A 66 -8.214 3.018 -5.258 1.00 0.00 ATOM 488 CD1 LEU A 66 -6.927 2.719 -4.504 1.00 0.00 ATOM 489 CD2 LEU A 66 -9.355 3.061 -4.254 1.00 0.00 ATOM 490 O LEU A 66 -8.594 7.022 -6.678 1.00 0.00 ATOM 491 C LEU A 66 -9.022 6.177 -7.454 1.00 0.00 ATOM 492 N GLN A 67 -9.224 6.478 -8.745 1.00 0.00 ATOM 493 CA GLN A 67 -9.091 7.770 -9.346 1.00 0.00 ATOM 494 CB GLN A 67 -8.815 7.638 -10.845 1.00 0.00 ATOM 495 CG GLN A 67 -8.592 8.964 -11.554 1.00 0.00 ATOM 496 CD GLN A 67 -8.348 8.795 -13.041 1.00 0.00 ATOM 497 OE1 GLN A 67 -8.165 7.679 -13.527 1.00 0.00 ATOM 498 NE2 GLN A 67 -8.344 9.906 -13.769 1.00 0.00 ATOM 499 O GLN A 67 -11.380 8.432 -9.887 1.00 0.00 ATOM 500 C GLN A 67 -10.408 8.587 -9.149 1.00 0.00 ATOM 501 N GLY A 68 -10.320 9.579 -8.244 1.00 0.00 ATOM 502 CA GLY A 68 -11.423 10.452 -7.876 1.00 0.00 ATOM 503 O GLY A 68 -13.054 10.756 -6.152 1.00 0.00 ATOM 504 C GLY A 68 -12.230 9.973 -6.627 1.00 0.00 ATOM 505 N PHE A 69 -12.107 8.706 -6.190 1.00 0.00 ATOM 506 CA PHE A 69 -12.781 8.138 -5.063 1.00 0.00 ATOM 507 CB PHE A 69 -12.500 6.637 -4.971 1.00 0.00 ATOM 508 CG PHE A 69 -13.218 5.821 -6.007 1.00 0.00 ATOM 509 CD1 PHE A 69 -14.148 6.407 -6.848 1.00 0.00 ATOM 510 CD2 PHE A 69 -12.965 4.467 -6.141 1.00 0.00 ATOM 511 CE1 PHE A 69 -14.810 5.656 -7.801 1.00 0.00 ATOM 512 CE2 PHE A 69 -13.626 3.716 -7.094 1.00 0.00 ATOM 513 CZ PHE A 69 -14.545 4.305 -7.922 1.00 0.00 ATOM 514 O PHE A 69 -11.104 8.644 -3.395 1.00 0.00 ATOM 515 C PHE A 69 -12.261 8.841 -3.827 1.00 0.00 ATOM 516 N THR A 70 -13.245 9.426 -3.132 1.00 0.00 ATOM 517 CA THR A 70 -13.102 10.093 -1.867 1.00 0.00 ATOM 518 CB THR A 70 -14.472 10.423 -1.245 1.00 0.00 ATOM 519 CG2 THR A 70 -14.294 11.173 0.066 1.00 0.00 ATOM 520 OG1 THR A 70 -15.226 11.240 -2.149 1.00 0.00 ATOM 521 O THR A 70 -12.473 7.969 -1.016 1.00 0.00 ATOM 522 C THR A 70 -12.322 9.167 -0.893 1.00 0.00 ATOM 523 N ASN A 71 -11.261 9.623 -0.214 1.00 0.00 ATOM 524 CA ASN A 71 -10.532 8.800 0.772 1.00 0.00 ATOM 525 CB ASN A 71 -9.740 9.690 1.732 1.00 0.00 ATOM 526 CG ASN A 71 -8.493 10.270 1.095 1.00 0.00 ATOM 527 ND2 ASN A 71 -7.916 11.279 1.737 1.00 0.00 ATOM 528 OD1 ASN A 71 -8.056 9.815 0.038 1.00 0.00 ATOM 529 O ASN A 71 -11.385 6.761 1.601 1.00 0.00 ATOM 530 C ASN A 71 -11.574 7.945 1.594 1.00 0.00 ATOM 531 N GLN A 72 -12.691 8.502 2.077 1.00 0.00 ATOM 532 CA GLN A 72 -13.718 7.746 2.751 1.00 0.00 ATOM 533 CB GLN A 72 -14.903 8.647 3.103 1.00 0.00 ATOM 534 CG GLN A 72 -14.614 9.650 4.208 1.00 0.00 ATOM 535 CD GLN A 72 -15.764 10.611 4.438 1.00 0.00 ATOM 536 OE1 GLN A 72 -16.760 10.586 3.716 1.00 0.00 ATOM 537 NE2 GLN A 72 -15.628 11.463 5.447 1.00 0.00 ATOM 538 O GLN A 72 -14.433 5.521 2.334 1.00 0.00 ATOM 539 C GLN A 72 -14.202 6.606 1.812 1.00 0.00 ATOM 540 N GLN A 73 -14.633 6.896 0.584 1.00 0.00 ATOM 541 CA GLN A 73 -15.036 5.866 -0.351 1.00 0.00 ATOM 542 CB GLN A 73 -15.378 6.480 -1.710 1.00 0.00 ATOM 543 CG GLN A 73 -16.663 7.292 -1.718 1.00 0.00 ATOM 544 CD GLN A 73 -16.901 7.993 -3.041 1.00 0.00 ATOM 545 OE1 GLN A 73 -16.063 7.941 -3.942 1.00 0.00 ATOM 546 NE2 GLN A 73 -18.047 8.653 -3.163 1.00 0.00 ATOM 547 O GLN A 73 -14.202 3.632 -0.613 1.00 0.00 ATOM 548 C GLN A 73 -13.875 4.810 -0.563 1.00 0.00 ATOM 549 N ALA A 74 -12.626 5.204 -0.872 1.00 0.00 ATOM 550 CA ALA A 74 -11.474 4.328 -1.000 1.00 0.00 ATOM 551 CB ALA A 74 -10.203 5.145 -1.171 1.00 0.00 ATOM 552 O ALA A 74 -11.135 2.260 0.142 1.00 0.00 ATOM 553 C ALA A 74 -11.364 3.461 0.289 1.00 0.00 ATOM 554 N VAL A 75 -11.206 4.099 1.478 1.00 0.00 ATOM 555 CA VAL A 75 -11.185 3.382 2.711 1.00 0.00 ATOM 556 CB VAL A 75 -11.249 4.335 3.919 1.00 0.00 ATOM 557 CG1 VAL A 75 -11.439 3.549 5.208 1.00 0.00 ATOM 558 CG2 VAL A 75 -9.963 5.140 4.032 1.00 0.00 ATOM 559 O VAL A 75 -12.087 1.276 3.255 1.00 0.00 ATOM 560 C VAL A 75 -12.378 2.396 2.860 1.00 0.00 ATOM 561 N GLU A 76 -13.636 2.797 2.703 1.00 0.00 ATOM 562 CA GLU A 76 -14.766 1.899 2.772 1.00 0.00 ATOM 563 CB GLU A 76 -16.056 2.631 2.396 1.00 0.00 ATOM 564 CG GLU A 76 -16.542 3.613 3.450 1.00 0.00 ATOM 565 CD GLU A 76 -17.780 4.371 3.013 1.00 0.00 ATOM 566 OE1 GLU A 76 -18.208 4.191 1.853 1.00 0.00 ATOM 567 OE2 GLU A 76 -18.322 5.145 3.829 1.00 0.00 ATOM 568 O GLU A 76 -15.266 -0.314 2.022 1.00 0.00 ATOM 569 C GLU A 76 -14.592 0.679 1.784 1.00 0.00 ATOM 570 N VAL A 77 -14.193 0.925 0.503 1.00 0.00 ATOM 571 CA VAL A 77 -13.959 -0.190 -0.423 1.00 0.00 ATOM 572 CB VAL A 77 -13.279 0.287 -1.720 1.00 0.00 ATOM 573 CG1 VAL A 77 -12.856 -0.903 -2.568 1.00 0.00 ATOM 574 CG2 VAL A 77 -14.232 1.145 -2.537 1.00 0.00 ATOM 575 O VAL A 77 -13.314 -2.428 0.016 1.00 0.00 ATOM 576 C VAL A 77 -13.044 -1.244 0.246 1.00 0.00 ATOM 577 N LEU A 78 -11.888 -0.867 0.783 1.00 0.00 ATOM 578 CA LEU A 78 -10.986 -1.779 1.528 1.00 0.00 ATOM 579 CB LEU A 78 -9.738 -1.031 1.999 1.00 0.00 ATOM 580 CG LEU A 78 -8.602 -1.891 2.559 1.00 0.00 ATOM 581 CD1 LEU A 78 -7.312 -1.090 2.642 1.00 0.00 ATOM 582 CD2 LEU A 78 -8.943 -2.390 3.954 1.00 0.00 ATOM 583 O LEU A 78 -11.525 -3.530 3.071 1.00 0.00 ATOM 584 C LEU A 78 -11.733 -2.353 2.776 1.00 0.00 ATOM 585 N ARG A 79 -12.268 -1.493 3.676 1.00 0.00 ATOM 586 CA ARG A 79 -13.038 -1.902 4.854 1.00 0.00 ATOM 587 CB ARG A 79 -13.723 -0.692 5.493 1.00 0.00 ATOM 588 CG ARG A 79 -14.534 -1.023 6.736 1.00 0.00 ATOM 589 CD ARG A 79 -15.092 0.235 7.381 1.00 0.00 ATOM 590 NE ARG A 79 -15.957 -0.071 8.518 1.00 0.00 ATOM 591 CZ ARG A 79 -16.547 0.848 9.276 1.00 0.00 ATOM 592 NH1 ARG A 79 -17.316 0.476 10.290 1.00 0.00 ATOM 593 NH2 ARG A 79 -16.367 2.136 9.018 1.00 0.00 ATOM 594 O ARG A 79 -14.243 -3.976 5.135 1.00 0.00 ATOM 595 C ARG A 79 -14.145 -2.945 4.462 1.00 0.00 ATOM 596 N HIS A 80 -14.888 -2.734 3.343 1.00 0.00 ATOM 597 CA HIS A 80 -15.953 -3.597 2.818 1.00 0.00 ATOM 598 CB HIS A 80 -17.149 -2.757 2.366 1.00 0.00 ATOM 599 CG HIS A 80 -17.813 -2.004 3.477 1.00 0.00 ATOM 600 CD2 HIS A 80 -17.845 -0.616 3.916 1.00 0.00 ATOM 601 ND1 HIS A 80 -18.628 -2.613 4.406 1.00 0.00 ATOM 602 CE1 HIS A 80 -19.074 -1.685 5.272 1.00 0.00 ATOM 603 NE2 HIS A 80 -18.608 -0.485 4.984 1.00 0.00 ATOM 604 O HIS A 80 -16.344 -4.875 0.736 1.00 0.00 ATOM 605 C HIS A 80 -15.498 -4.455 1.581 1.00 0.00 ATOM 606 N THR A 81 -14.208 -4.671 1.496 1.00 0.00 ATOM 607 CA THR A 81 -13.556 -5.504 0.512 1.00 0.00 ATOM 608 CB THR A 81 -12.043 -5.225 0.450 1.00 0.00 ATOM 609 CG2 THR A 81 -11.374 -5.624 1.757 1.00 0.00 ATOM 610 OG1 THR A 81 -11.458 -5.980 -0.619 1.00 0.00 ATOM 611 O THR A 81 -15.027 -7.292 1.211 1.00 0.00 ATOM 612 C THR A 81 -13.822 -6.988 0.964 1.00 0.00 ATOM 613 N GLY A 82 -12.985 -7.960 0.654 1.00 0.00 ATOM 614 CA GLY A 82 -13.363 -9.326 1.037 1.00 0.00 ATOM 615 O GLY A 82 -11.102 -9.872 1.555 1.00 0.00 ATOM 616 C GLY A 82 -12.197 -10.303 1.187 1.00 0.00 ATOM 617 N GLN A 83 -12.629 -11.562 1.435 1.00 0.00 ATOM 618 CA GLN A 83 -11.645 -12.642 1.642 1.00 0.00 ATOM 619 CB GLN A 83 -12.270 -14.003 1.331 1.00 0.00 ATOM 620 CG GLN A 83 -11.345 -15.183 1.582 1.00 0.00 ATOM 621 CD GLN A 83 -11.031 -15.375 3.053 1.00 0.00 ATOM 622 OE1 GLN A 83 -11.917 -15.283 3.903 1.00 0.00 ATOM 623 NE2 GLN A 83 -9.767 -15.642 3.357 1.00 0.00 ATOM 624 O GLN A 83 -9.352 -12.852 1.176 1.00 0.00 ATOM 625 C GLN A 83 -10.421 -12.452 0.725 1.00 0.00 ATOM 626 N THR A 84 -10.560 -12.107 -0.592 1.00 0.00 ATOM 627 CA THR A 84 -9.459 -11.814 -1.486 1.00 0.00 ATOM 628 CB THR A 84 -9.530 -12.666 -2.767 1.00 0.00 ATOM 629 CG2 THR A 84 -8.360 -12.346 -3.685 1.00 0.00 ATOM 630 OG1 THR A 84 -9.482 -14.056 -2.422 1.00 0.00 ATOM 631 O THR A 84 -10.403 -9.881 -2.612 1.00 0.00 ATOM 632 C THR A 84 -9.497 -10.311 -1.897 1.00 0.00 ATOM 633 N VAL A 85 -8.619 -9.495 -1.309 1.00 0.00 ATOM 634 CA VAL A 85 -8.505 -8.073 -1.615 1.00 0.00 ATOM 635 CB VAL A 85 -8.135 -7.254 -0.364 1.00 0.00 ATOM 636 CG1 VAL A 85 -7.923 -5.793 -0.728 1.00 0.00 ATOM 637 CG2 VAL A 85 -9.244 -7.336 0.673 1.00 0.00 ATOM 638 O VAL A 85 -6.249 -8.261 -2.530 1.00 0.00 ATOM 639 C VAL A 85 -7.410 -7.854 -2.678 1.00 0.00 ATOM 640 N LEU A 86 -7.678 -6.927 -3.592 1.00 0.00 ATOM 641 CA LEU A 86 -6.804 -6.597 -4.680 1.00 0.00 ATOM 642 CB LEU A 86 -7.521 -6.782 -6.019 1.00 0.00 ATOM 643 CG LEU A 86 -8.028 -8.192 -6.327 1.00 0.00 ATOM 644 CD1 LEU A 86 -8.830 -8.205 -7.620 1.00 0.00 ATOM 645 CD2 LEU A 86 -6.864 -9.160 -6.480 1.00 0.00 ATOM 646 O LEU A 86 -6.994 -4.285 -3.956 1.00 0.00 ATOM 647 C LEU A 86 -6.336 -5.128 -4.579 1.00 0.00 ATOM 648 N LEU A 87 -5.041 -4.943 -4.799 1.00 0.00 ATOM 649 CA LEU A 87 -4.431 -3.601 -4.788 1.00 0.00 ATOM 650 CB LEU A 87 -3.718 -3.348 -3.458 1.00 0.00 ATOM 651 CG LEU A 87 -4.605 -3.292 -2.213 1.00 0.00 ATOM 652 CD1 LEU A 87 -3.757 -3.216 -0.952 1.00 0.00 ATOM 653 CD2 LEU A 87 -5.511 -2.071 -2.252 1.00 0.00 ATOM 654 O LEU A 87 -2.191 -3.696 -5.716 1.00 0.00 ATOM 655 C LEU A 87 -3.378 -3.370 -5.901 1.00 0.00 ATOM 656 N THR A 88 -3.722 -2.415 -6.772 1.00 0.00 ATOM 657 CA THR A 88 -2.777 -2.064 -7.831 1.00 0.00 ATOM 658 CB THR A 88 -3.501 -1.766 -9.157 1.00 0.00 ATOM 659 CG2 THR A 88 -2.497 -1.411 -10.244 1.00 0.00 ATOM 660 OG1 THR A 88 -4.242 -2.920 -9.570 1.00 0.00 ATOM 661 O THR A 88 -2.283 0.279 -7.871 1.00 0.00 ATOM 662 C THR A 88 -2.014 -0.802 -7.355 1.00 0.00 ATOM 663 N LEU A 89 -0.806 -1.077 -6.879 1.00 0.00 ATOM 664 CA LEU A 89 0.078 -0.112 -6.314 1.00 0.00 ATOM 665 CB LEU A 89 0.444 -0.496 -4.879 1.00 0.00 ATOM 666 CG LEU A 89 -0.588 -0.154 -3.802 1.00 0.00 ATOM 667 CD1 LEU A 89 -1.821 -1.033 -3.940 1.00 0.00 ATOM 668 CD2 LEU A 89 -0.005 -0.367 -2.413 1.00 0.00 ATOM 669 O LEU A 89 2.070 -1.054 -7.244 1.00 0.00 ATOM 670 C LEU A 89 1.336 -0.068 -7.170 1.00 0.00 ATOM 671 N MET A 90 1.761 1.147 -7.482 1.00 0.00 ATOM 672 CA MET A 90 2.964 1.455 -8.248 1.00 0.00 ATOM 673 CB MET A 90 2.813 2.797 -8.967 1.00 0.00 ATOM 674 CG MET A 90 3.953 3.124 -9.917 1.00 0.00 ATOM 675 SD MET A 90 3.719 4.696 -10.769 1.00 0.00 ATOM 676 CE MET A 90 2.457 4.253 -11.959 1.00 0.00 ATOM 677 O MET A 90 4.170 2.249 -6.346 1.00 0.00 ATOM 678 C MET A 90 4.173 1.536 -7.339 1.00 0.00 ATOM 679 N ARG A 91 5.340 1.101 -7.827 1.00 0.00 ATOM 680 CA ARG A 91 6.552 1.181 -7.038 1.00 0.00 ATOM 681 CB ARG A 91 7.583 0.165 -7.534 1.00 0.00 ATOM 682 CG ARG A 91 8.871 0.144 -6.729 1.00 0.00 ATOM 683 CD ARG A 91 9.826 -0.922 -7.242 1.00 0.00 ATOM 684 NE ARG A 91 11.093 -0.918 -6.514 1.00 0.00 ATOM 685 CZ ARG A 91 12.187 -1.556 -6.916 1.00 0.00 ATOM 686 NH1 ARG A 91 13.294 -1.496 -6.189 1.00 0.00 ATOM 687 NH2 ARG A 91 12.171 -2.254 -8.044 1.00 0.00 ATOM 688 O ARG A 91 7.895 2.942 -8.067 1.00 0.00 ATOM 689 C ARG A 91 7.146 2.592 -7.155 1.00 0.00 ATOM 690 N ARG A 92 6.983 3.305 -6.015 1.00 0.00 ATOM 691 CA ARG A 92 7.434 4.680 -5.814 1.00 0.00 ATOM 692 CB ARG A 92 6.507 5.411 -4.841 1.00 0.00 ATOM 693 CG ARG A 92 5.086 5.588 -5.352 1.00 0.00 ATOM 694 CD ARG A 92 5.018 6.652 -6.436 1.00 0.00 ATOM 695 NE ARG A 92 3.659 6.831 -6.941 1.00 0.00 ATOM 696 CZ ARG A 92 3.317 7.724 -7.865 1.00 0.00 ATOM 697 NH1 ARG A 92 2.056 7.816 -8.263 1.00 0.00 ATOM 698 NH2 ARG A 92 4.237 8.523 -8.387 1.00 0.00 ATOM 699 O ARG A 92 9.203 3.838 -4.414 1.00 0.00 ATOM 700 C ARG A 92 8.843 4.712 -5.242 1.00 0.00 ATOM 701 N GLY A 93 9.641 5.721 -5.600 1.00 0.00 ATOM 702 CA GLY A 93 10.966 5.819 -4.984 1.00 0.00 ATOM 703 O GLY A 93 9.793 6.611 -3.019 1.00 0.00 ATOM 704 C GLY A 93 10.876 6.244 -3.498 1.00 0.00 ATOM 705 N GLU A 94 12.001 6.191 -2.816 1.00 0.00 ATOM 706 CA GLU A 94 12.134 6.603 -1.382 1.00 0.00 ATOM 707 CB GLU A 94 13.594 6.520 -0.934 1.00 0.00 ATOM 708 CG GLU A 94 13.817 6.878 0.527 1.00 0.00 ATOM 709 CD GLU A 94 15.269 6.751 0.943 1.00 0.00 ATOM 710 OE1 GLU A 94 16.100 6.370 0.092 1.00 0.00 ATOM 711 OE2 GLU A 94 15.576 7.033 2.120 1.00 0.00 ATOM 712 O GLU A 94 10.999 8.194 -0.061 1.00 0.00 ATOM 713 C GLU A 94 11.674 8.045 -1.069 1.00 0.00 ATOM 714 N THR A 95 12.111 9.066 -1.856 1.00 0.00 ATOM 715 CA THR A 95 11.692 10.461 -1.674 1.00 0.00 ATOM 716 CB THR A 95 11.984 11.306 -2.928 1.00 0.00 ATOM 717 CG2 THR A 95 11.566 12.752 -2.705 1.00 0.00 ATOM 718 OG1 THR A 95 13.387 11.268 -3.217 1.00 0.00 ATOM 719 O THR A 95 9.803 11.164 -0.342 1.00 0.00 ATOM 720 C THR A 95 10.142 10.607 -1.381 1.00 0.00 ATOM 721 N SER A 96 9.282 10.099 -2.295 1.00 0.00 ATOM 722 CA SER A 96 7.824 10.175 -2.032 1.00 0.00 ATOM 723 CB SER A 96 7.048 9.378 -3.083 1.00 0.00 ATOM 724 OG SER A 96 7.164 9.974 -4.363 1.00 0.00 ATOM 725 O SER A 96 6.594 10.185 0.005 1.00 0.00 ATOM 726 C SER A 96 7.484 9.591 -0.625 1.00 0.00 ATOM 727 N VAL A 97 7.941 8.385 -0.245 1.00 0.00 ATOM 728 CA VAL A 97 7.746 7.784 1.037 1.00 0.00 ATOM 729 CB VAL A 97 8.429 6.406 1.124 1.00 0.00 ATOM 730 CG1 VAL A 97 8.277 5.824 2.521 1.00 0.00 ATOM 731 CG2 VAL A 97 7.805 5.439 0.130 1.00 0.00 ATOM 732 O VAL A 97 7.615 9.157 3.019 1.00 0.00 ATOM 733 C VAL A 97 8.335 8.674 2.150 1.00 0.00 ENDMDL