EXPDTA SPARKS2_TS4-scwrl MODEL 1 REMARK 44 REMARK 44 model 1 is called SPARKS2_TS4-scwrl ATOM 1 N MET 1 -0.963 46.470 70.096 1.00 0.00 ATOM 2 CA MET 1 -1.824 47.365 69.292 1.00 0.00 ATOM 3 CB MET 1 -1.163 48.734 69.123 1.00 0.00 ATOM 4 CG MET 1 -1.021 49.519 70.416 1.00 0.00 ATOM 5 SD MET 1 -2.610 49.904 71.175 1.00 0.00 ATOM 6 CE MET 1 -3.259 51.102 70.013 1.00 0.00 ATOM 7 O MET 1 -2.895 45.907 67.758 1.00 0.00 ATOM 8 C MET 1 -2.074 46.805 67.934 1.00 0.00 ATOM 9 N ASP 2 -1.359 47.343 66.929 1.00 0.00 ATOM 10 CA ASP 2 -1.562 46.927 65.574 1.00 0.00 ATOM 11 CB ASP 2 -0.715 47.773 64.621 1.00 0.00 ATOM 12 CG ASP 2 -0.999 47.469 63.163 1.00 0.00 ATOM 13 OD1 ASP 2 -1.774 46.528 62.893 1.00 0.00 ATOM 14 OD2 ASP 2 -0.447 48.173 62.291 1.00 0.00 ATOM 15 O ASP 2 -0.026 45.113 65.704 1.00 0.00 ATOM 16 C ASP 2 -1.166 45.489 65.438 1.00 0.00 ATOM 17 N ALA 3 -2.145 44.652 65.045 1.00 0.00 ATOM 18 CA ALA 3 -2.013 43.245 64.781 1.00 0.00 ATOM 19 CB ALA 3 -3.383 42.608 64.605 1.00 0.00 ATOM 20 O ALA 3 -0.463 42.065 63.413 1.00 0.00 ATOM 21 C ALA 3 -1.217 43.030 63.528 1.00 0.00 ATOM 22 N LYS 4 -1.364 43.953 62.560 1.00 0.00 ATOM 23 CA LYS 4 -0.856 43.815 61.223 1.00 0.00 ATOM 24 CB LYS 4 -1.124 45.086 60.414 1.00 0.00 ATOM 25 CG LYS 4 -2.588 45.307 60.072 1.00 0.00 ATOM 26 CD LYS 4 -2.781 46.583 59.268 1.00 0.00 ATOM 27 CE LYS 4 -4.248 46.817 58.947 1.00 0.00 ATOM 28 NZ LYS 4 -4.455 48.081 58.189 1.00 0.00 ATOM 29 O LYS 4 1.105 42.807 60.378 1.00 0.00 ATOM 30 C LYS 4 0.618 43.570 61.211 1.00 0.00 ATOM 31 N PHE 5 1.384 44.200 62.113 1.00 0.00 ATOM 32 CA PHE 5 2.796 43.954 62.101 1.00 0.00 ATOM 33 CB PHE 5 3.492 44.776 63.188 1.00 0.00 ATOM 34 CG PHE 5 3.499 46.254 62.919 1.00 0.00 ATOM 35 CD1 PHE 5 3.208 46.744 61.658 1.00 0.00 ATOM 36 CD2 PHE 5 3.796 47.154 63.928 1.00 0.00 ATOM 37 CE1 PHE 5 3.214 48.104 61.411 1.00 0.00 ATOM 38 CE2 PHE 5 3.802 48.513 63.681 1.00 0.00 ATOM 39 CZ PHE 5 3.513 48.990 62.429 1.00 0.00 ATOM 40 O PHE 5 3.768 41.820 61.704 1.00 0.00 ATOM 41 C PHE 5 2.973 42.495 62.356 1.00 0.00 ATOM 42 N LEU 6 2.195 41.967 63.313 1.00 0.00 ATOM 43 CA LEU 6 2.277 40.582 63.656 1.00 0.00 ATOM 44 CB LEU 6 1.323 40.258 64.807 1.00 0.00 ATOM 45 CG LEU 6 1.687 40.839 66.174 1.00 0.00 ATOM 46 CD1 LEU 6 0.570 40.596 67.178 1.00 0.00 ATOM 47 CD2 LEU 6 2.957 40.196 66.711 1.00 0.00 ATOM 48 O LEU 6 2.567 38.780 62.144 1.00 0.00 ATOM 49 C LEU 6 1.903 39.766 62.458 1.00 0.00 ATOM 50 N GLU 7 0.833 40.168 61.744 1.00 0.00 ATOM 51 CA GLU 7 0.348 39.373 60.652 1.00 0.00 ATOM 52 CB GLU 7 -0.931 39.981 60.073 1.00 0.00 ATOM 53 CG GLU 7 -2.143 39.859 60.982 1.00 0.00 ATOM 54 CD GLU 7 -3.359 40.579 60.432 1.00 0.00 ATOM 55 OE1 GLU 7 -3.233 41.235 59.377 1.00 0.00 ATOM 56 OE2 GLU 7 -4.437 40.487 61.056 1.00 0.00 ATOM 57 O GLU 7 1.556 38.241 58.968 1.00 0.00 ATOM 58 C GLU 7 1.369 39.299 59.566 1.00 0.00 ATOM 59 N ILE 8 2.070 40.411 59.276 1.00 0.00 ATOM 60 CA ILE 8 2.985 40.350 58.176 1.00 0.00 ATOM 61 CB ILE 8 3.673 41.707 57.938 1.00 0.00 ATOM 62 CG1 ILE 8 2.642 42.764 57.535 1.00 0.00 ATOM 63 CG2 ILE 8 4.706 41.593 56.828 1.00 0.00 ATOM 64 CD1 ILE 8 1.922 42.452 56.241 1.00 0.00 ATOM 65 O ILE 8 4.338 38.481 57.648 1.00 0.00 ATOM 66 C ILE 8 4.026 39.323 58.488 1.00 0.00 ATOM 67 N LEU 9 4.584 39.354 59.712 1.00 0.00 ATOM 68 CA LEU 9 5.587 38.397 60.093 1.00 0.00 ATOM 69 CB LEU 9 6.168 38.747 61.465 1.00 0.00 ATOM 70 CG LEU 9 7.037 40.004 61.532 1.00 0.00 ATOM 71 CD1 LEU 9 7.389 40.338 62.974 1.00 0.00 ATOM 72 CD2 LEU 9 8.332 39.804 60.760 1.00 0.00 ATOM 73 O LEU 9 5.539 36.070 59.597 1.00 0.00 ATOM 74 C LEU 9 5.003 37.020 60.166 1.00 0.00 ATOM 75 N VAL 10 3.860 36.901 60.863 1.00 0.00 ATOM 76 CA VAL 10 3.241 35.643 61.175 1.00 0.00 ATOM 77 CB VAL 10 2.016 35.828 62.090 1.00 0.00 ATOM 78 CG1 VAL 10 1.269 34.513 62.252 1.00 0.00 ATOM 79 CG2 VAL 10 2.448 36.309 63.467 1.00 0.00 ATOM 80 O VAL 10 2.880 33.728 59.852 1.00 0.00 ATOM 81 C VAL 10 2.779 34.950 59.949 1.00 0.00 ATOM 82 N CYS 11 2.262 35.721 58.982 1.00 0.00 ATOM 83 CA CYS 11 1.720 35.135 57.799 1.00 0.00 ATOM 84 CB CYS 11 1.234 36.221 56.837 1.00 0.00 ATOM 85 SG CYS 11 -0.135 37.219 57.468 1.00 0.00 ATOM 86 O CYS 11 3.999 34.572 57.479 1.00 0.00 ATOM 87 C CYS 11 2.825 34.348 57.190 1.00 0.00 ATOM 88 N PRO 12 2.474 33.403 56.373 1.00 0.00 ATOM 89 CA PRO 12 3.484 32.598 55.766 1.00 0.00 ATOM 90 CB PRO 12 2.698 31.574 54.945 1.00 0.00 ATOM 91 CG PRO 12 1.400 32.249 54.650 1.00 0.00 ATOM 92 CD PRO 12 1.074 33.074 55.863 1.00 0.00 ATOM 93 O PRO 12 5.419 33.003 54.526 1.00 0.00 ATOM 94 C PRO 12 4.345 33.458 54.918 1.00 0.00 ATOM 95 N LEU 13 3.902 34.692 54.606 1.00 0.00 ATOM 96 CA LEU 13 4.761 35.474 53.778 1.00 0.00 ATOM 97 CB LEU 13 4.125 36.833 53.478 1.00 0.00 ATOM 98 CG LEU 13 2.908 36.822 52.550 1.00 0.00 ATOM 99 CD1 LEU 13 2.265 38.199 52.491 1.00 0.00 ATOM 100 CD2 LEU 13 3.313 36.425 51.139 1.00 0.00 ATOM 101 O LEU 13 7.111 35.348 53.982 1.00 0.00 ATOM 102 C LEU 13 6.045 35.671 54.502 1.00 0.00 ATOM 103 N CYS 14 5.978 36.195 55.737 1.00 0.00 ATOM 104 CA CYS 14 7.186 36.358 56.485 1.00 0.00 ATOM 105 CB CYS 14 6.947 37.258 57.699 1.00 0.00 ATOM 106 SG CYS 14 6.641 38.993 57.293 1.00 0.00 ATOM 107 O CYS 14 8.871 34.770 57.005 1.00 0.00 ATOM 108 C CYS 14 7.669 35.029 56.960 1.00 0.00 ATOM 109 N LYS 15 6.727 34.133 57.299 1.00 0.00 ATOM 110 CA LYS 15 7.076 32.855 57.839 1.00 0.00 ATOM 111 CB LYS 15 8.097 32.154 56.940 1.00 0.00 ATOM 112 CG LYS 15 7.586 31.848 55.542 1.00 0.00 ATOM 113 CD LYS 15 8.642 31.136 54.712 1.00 0.00 ATOM 114 CE LYS 15 8.168 30.919 53.284 1.00 0.00 ATOM 115 NZ LYS 15 9.206 30.253 52.450 1.00 0.00 ATOM 116 O LYS 15 8.272 32.173 59.771 1.00 0.00 ATOM 117 C LYS 15 7.664 33.075 59.197 1.00 0.00 ATOM 118 N GLY 16 7.460 34.285 59.757 1.00 0.00 ATOM 119 CA GLY 16 7.882 34.599 61.094 1.00 0.00 ATOM 120 O GLY 16 9.126 36.477 61.818 1.00 0.00 ATOM 121 C GLY 16 9.070 35.509 61.062 1.00 0.00 ATOM 122 N PRO 17 10.044 35.215 60.252 1.00 0.00 ATOM 123 CA PRO 17 11.151 36.133 60.204 1.00 0.00 ATOM 124 CB PRO 17 12.336 35.262 59.781 1.00 0.00 ATOM 125 CG PRO 17 11.738 34.224 58.892 1.00 0.00 ATOM 126 CD PRO 17 10.386 33.910 59.469 1.00 0.00 ATOM 127 O PRO 17 10.126 37.027 58.290 1.00 0.00 ATOM 128 C PRO 17 10.903 37.228 59.222 1.00 0.00 ATOM 129 N LEU 18 11.543 38.397 59.413 1.00 0.00 ATOM 130 CA LEU 18 11.413 39.459 58.462 1.00 0.00 ATOM 131 CB LEU 18 10.065 40.164 58.627 1.00 0.00 ATOM 132 CG LEU 18 9.793 41.335 57.681 1.00 0.00 ATOM 133 CD1 LEU 18 9.643 40.846 56.249 1.00 0.00 ATOM 134 CD2 LEU 18 8.512 42.056 58.074 1.00 0.00 ATOM 135 O LEU 18 12.905 40.626 59.892 1.00 0.00 ATOM 136 C LEU 18 12.540 40.404 58.738 1.00 0.00 ATOM 137 N VAL 19 13.140 40.980 57.680 1.00 0.00 ATOM 138 CA VAL 19 14.203 41.914 57.908 1.00 0.00 ATOM 139 CB VAL 19 14.936 42.265 56.600 1.00 0.00 ATOM 140 CG1 VAL 19 15.924 43.398 56.831 1.00 0.00 ATOM 141 CG2 VAL 19 15.702 41.059 56.078 1.00 0.00 ATOM 142 O VAL 19 12.391 43.414 58.173 1.00 0.00 ATOM 143 C VAL 19 13.543 43.122 58.483 1.00 0.00 ATOM 144 N PHE 20 14.249 43.853 59.362 1.00 0.00 ATOM 145 CA PHE 20 13.666 45.005 59.986 1.00 0.00 ATOM 146 CB PHE 20 14.654 45.642 60.965 1.00 0.00 ATOM 147 CG PHE 20 14.120 46.863 61.657 1.00 0.00 ATOM 148 CD1 PHE 20 13.252 46.745 62.729 1.00 0.00 ATOM 149 CD2 PHE 20 14.486 48.130 61.237 1.00 0.00 ATOM 150 CE1 PHE 20 12.760 47.869 63.365 1.00 0.00 ATOM 151 CE2 PHE 20 13.994 49.254 61.874 1.00 0.00 ATOM 152 CZ PHE 20 13.135 49.127 62.934 1.00 0.00 ATOM 153 O PHE 20 12.246 46.563 58.888 1.00 0.00 ATOM 154 C PHE 20 13.325 45.971 58.902 1.00 0.00 ATOM 155 N ASP 21 14.259 46.139 57.952 1.00 0.00 ATOM 156 CA ASP 21 14.106 47.082 56.883 1.00 0.00 ATOM 157 CB ASP 21 15.382 47.150 56.042 1.00 0.00 ATOM 158 CG ASP 21 16.513 47.863 56.755 1.00 0.00 ATOM 159 OD1 ASP 21 16.247 48.516 57.786 1.00 0.00 ATOM 160 OD2 ASP 21 17.666 47.770 56.284 1.00 0.00 ATOM 161 O ASP 21 12.249 47.558 55.488 1.00 0.00 ATOM 162 C ASP 21 12.970 46.693 55.980 1.00 0.00 ATOM 163 N LYS 22 12.794 45.380 55.742 1.00 0.00 ATOM 164 CA LYS 22 11.839 44.825 54.817 1.00 0.00 ATOM 165 CB LYS 22 12.039 43.314 54.682 1.00 0.00 ATOM 166 CG LYS 22 13.314 42.920 53.953 1.00 0.00 ATOM 167 CD LYS 22 13.451 41.409 53.860 1.00 0.00 ATOM 168 CE LYS 22 14.726 41.015 53.131 1.00 0.00 ATOM 169 NZ LYS 22 14.888 39.536 53.057 1.00 0.00 ATOM 170 O LYS 22 9.515 45.115 54.438 1.00 0.00 ATOM 171 C LYS 22 10.430 45.058 55.261 1.00 0.00 ATOM 172 N SER 23 10.216 45.183 56.581 1.00 0.00 ATOM 173 CA SER 23 8.889 45.283 57.109 1.00 0.00 ATOM 174 CB SER 23 8.930 45.547 58.616 1.00 0.00 ATOM 175 OG SER 23 9.525 44.463 59.307 1.00 0.00 ATOM 176 O SER 23 6.971 46.303 56.199 1.00 0.00 ATOM 177 C SER 23 8.169 46.406 56.441 1.00 0.00 ATOM 178 N LYS 24 8.891 47.482 56.087 1.00 0.00 ATOM 179 CA LYS 24 8.300 48.642 55.486 1.00 0.00 ATOM 180 CB LYS 24 9.368 49.698 55.196 1.00 0.00 ATOM 181 CG LYS 24 9.940 50.361 56.439 1.00 0.00 ATOM 182 CD LYS 24 10.991 51.398 56.077 1.00 0.00 ATOM 183 CE LYS 24 11.580 52.043 57.321 1.00 0.00 ATOM 184 NZ LYS 24 12.636 53.038 56.984 1.00 0.00 ATOM 185 O LYS 24 6.518 48.712 53.931 1.00 0.00 ATOM 186 C LYS 24 7.632 48.270 54.198 1.00 0.00 ATOM 187 N ASP 25 8.279 47.450 53.349 1.00 0.00 ATOM 188 CA ASP 25 7.661 47.139 52.090 1.00 0.00 ATOM 189 CB ASP 25 8.587 46.268 51.239 1.00 0.00 ATOM 190 CG ASP 25 9.769 47.041 50.687 1.00 0.00 ATOM 191 OD1 ASP 25 9.750 48.287 50.760 1.00 0.00 ATOM 192 OD2 ASP 25 10.715 46.399 50.183 1.00 0.00 ATOM 193 O ASP 25 5.344 46.733 51.770 1.00 0.00 ATOM 194 C ASP 25 6.383 46.398 52.338 1.00 0.00 ATOM 195 N GLU 26 6.415 45.384 53.223 1.00 0.00 ATOM 196 CA GLU 26 5.230 44.611 53.482 1.00 0.00 ATOM 197 CB GLU 26 5.529 43.491 54.480 1.00 0.00 ATOM 198 CG GLU 26 6.388 42.371 53.917 1.00 0.00 ATOM 199 CD GLU 26 5.759 41.704 52.710 1.00 0.00 ATOM 200 OE1 GLU 26 4.587 41.285 52.806 1.00 0.00 ATOM 201 OE2 GLU 26 6.439 41.600 51.667 1.00 0.00 ATOM 202 O GLU 26 3.031 45.519 53.644 1.00 0.00 ATOM 203 C GLU 26 4.192 45.524 54.049 1.00 0.00 ATOM 204 N LEU 27 4.646 46.351 54.997 1.00 0.00 ATOM 205 CA LEU 27 3.944 47.313 55.788 1.00 0.00 ATOM 206 CB LEU 27 4.840 47.840 56.910 1.00 0.00 ATOM 207 CG LEU 27 5.254 46.828 57.980 1.00 0.00 ATOM 208 CD1 LEU 27 6.233 47.453 58.962 1.00 0.00 ATOM 209 CD2 LEU 27 4.042 46.343 58.760 1.00 0.00 ATOM 210 O LEU 27 2.904 49.395 55.486 1.00 0.00 ATOM 211 C LEU 27 3.511 48.468 54.956 1.00 0.00 ATOM 212 N ILE 28 3.924 48.520 53.675 1.00 0.00 ATOM 213 CA ILE 28 3.484 49.601 52.842 1.00 0.00 ATOM 214 CB ILE 28 3.968 49.428 51.390 1.00 0.00 ATOM 215 CG1 ILE 28 5.489 49.576 51.314 1.00 0.00 ATOM 216 CG2 ILE 28 3.336 50.478 50.489 1.00 0.00 ATOM 217 CD1 ILE 28 6.077 49.161 49.983 1.00 0.00 ATOM 218 O ILE 28 1.327 50.572 52.979 1.00 0.00 ATOM 219 C ILE 28 2.001 49.545 52.923 1.00 0.00 ATOM 220 N CYS 29 1.460 48.318 52.967 1.00 0.00 ATOM 221 CA CYS 29 0.046 48.178 53.125 1.00 0.00 ATOM 222 CB CYS 29 -0.349 46.700 53.129 1.00 0.00 ATOM 223 SG CYS 29 -0.153 45.870 51.535 1.00 0.00 ATOM 224 O CYS 29 -1.315 49.555 54.510 1.00 0.00 ATOM 225 C CYS 29 -0.338 48.811 54.435 1.00 0.00 ATOM 226 N LYS 30 0.451 48.549 55.496 1.00 0.00 ATOM 227 CA LYS 30 0.213 49.039 56.832 1.00 0.00 ATOM 228 CB LYS 30 0.848 48.107 57.866 1.00 0.00 ATOM 229 CG LYS 30 0.019 46.873 58.181 1.00 0.00 ATOM 230 CD LYS 30 0.063 45.871 57.038 1.00 0.00 ATOM 231 CE LYS 30 -0.809 44.661 57.331 1.00 0.00 ATOM 232 NZ LYS 30 -0.806 43.689 56.203 1.00 0.00 ATOM 233 O LYS 30 1.029 51.080 55.931 1.00 0.00 ATOM 234 C LYS 30 0.826 50.414 56.944 1.00 0.00 ATOM 235 N GLY 31 1.111 50.898 58.182 1.00 0.00 ATOM 236 CA GLY 31 1.699 52.210 58.332 1.00 0.00 ATOM 237 O GLY 31 3.082 51.590 60.182 1.00 0.00 ATOM 238 C GLY 31 3.010 52.103 59.067 1.00 0.00 ATOM 239 N ASP 32 4.085 52.613 58.428 1.00 0.00 ATOM 240 CA ASP 32 5.442 52.600 58.912 1.00 0.00 ATOM 241 CB ASP 32 6.413 52.989 57.795 1.00 0.00 ATOM 242 CG ASP 32 6.583 51.892 56.763 1.00 0.00 ATOM 243 OD1 ASP 32 6.149 50.752 57.030 1.00 0.00 ATOM 244 OD2 ASP 32 7.149 52.173 55.685 1.00 0.00 ATOM 245 O ASP 32 6.450 53.260 60.950 1.00 0.00 ATOM 246 C ASP 32 5.669 53.553 60.045 1.00 0.00 ATOM 247 N ARG 33 4.986 54.715 60.036 1.00 0.00 ATOM 248 CA ARG 33 5.276 55.741 61.001 1.00 0.00 ATOM 249 CB ARG 33 4.332 56.931 60.818 1.00 0.00 ATOM 250 CG ARG 33 4.592 57.742 59.558 1.00 0.00 ATOM 251 CD ARG 33 3.592 58.877 59.416 1.00 0.00 ATOM 252 NE ARG 33 3.798 59.637 58.185 1.00 0.00 ATOM 253 CZ ARG 33 3.026 60.645 57.792 1.00 0.00 ATOM 254 NH1 ARG 33 3.290 61.277 56.656 1.00 0.00 ATOM 255 NH2 ARG 33 1.993 61.018 58.534 1.00 0.00 ATOM 256 O ARG 33 5.931 55.371 63.251 1.00 0.00 ATOM 257 C ARG 33 5.097 55.173 62.368 1.00 0.00 ATOM 258 N LEU 34 3.987 54.450 62.572 1.00 0.00 ATOM 259 CA LEU 34 3.712 53.822 63.826 1.00 0.00 ATOM 260 CB LEU 34 2.295 53.246 63.837 1.00 0.00 ATOM 261 CG LEU 34 1.150 54.261 63.815 1.00 0.00 ATOM 262 CD1 LEU 34 -0.191 53.557 63.673 1.00 0.00 ATOM 263 CD2 LEU 34 1.127 55.074 65.100 1.00 0.00 ATOM 264 O LEU 34 5.144 52.449 65.143 1.00 0.00 ATOM 265 C LEU 34 4.706 52.715 64.026 1.00 0.00 ATOM 266 N ALA 35 5.104 52.060 62.919 1.00 0.00 ATOM 267 CA ALA 35 5.907 50.868 62.939 1.00 0.00 ATOM 268 CB ALA 35 6.179 50.388 61.522 1.00 0.00 ATOM 269 O ALA 35 7.660 50.172 64.356 1.00 0.00 ATOM 270 C ALA 35 7.241 51.043 63.595 1.00 0.00 ATOM 271 N PHE 36 7.961 52.147 63.336 1.00 0.00 ATOM 272 CA PHE 36 9.280 52.199 63.897 1.00 0.00 ATOM 273 CB PHE 36 10.004 53.470 63.448 1.00 0.00 ATOM 274 CG PHE 36 11.382 53.620 64.027 1.00 0.00 ATOM 275 CD1 PHE 36 12.451 52.922 63.494 1.00 0.00 ATOM 276 CD2 PHE 36 11.608 54.458 65.104 1.00 0.00 ATOM 277 CE1 PHE 36 13.719 53.060 64.027 1.00 0.00 ATOM 278 CE2 PHE 36 12.876 54.596 65.637 1.00 0.00 ATOM 279 CZ PHE 36 13.929 53.901 65.102 1.00 0.00 ATOM 280 O PHE 36 9.852 51.376 66.039 1.00 0.00 ATOM 281 C PHE 36 9.193 52.195 65.399 1.00 0.00 ATOM 282 N PRO 37 8.404 53.043 66.011 1.00 0.00 ATOM 283 CA PRO 37 8.351 53.037 67.448 1.00 0.00 ATOM 284 CB PRO 37 7.526 54.278 67.793 1.00 0.00 ATOM 285 CG PRO 37 6.724 54.548 66.564 1.00 0.00 ATOM 286 CD PRO 37 7.586 54.133 65.405 1.00 0.00 ATOM 287 O PRO 37 8.076 51.365 69.080 1.00 0.00 ATOM 288 C PRO 37 7.707 51.803 67.990 1.00 0.00 ATOM 289 N ILE 38 6.739 51.235 67.246 1.00 0.00 ATOM 290 CA ILE 38 6.004 50.108 67.734 1.00 0.00 ATOM 291 CB ILE 38 4.859 49.724 66.778 1.00 0.00 ATOM 292 CG1 ILE 38 3.789 50.817 66.761 1.00 0.00 ATOM 293 CG2 ILE 38 4.211 48.421 67.220 1.00 0.00 ATOM 294 CD1 ILE 38 2.764 50.650 65.661 1.00 0.00 ATOM 295 O ILE 38 6.838 48.226 68.882 1.00 0.00 ATOM 296 C ILE 38 6.903 48.929 67.875 1.00 0.00 ATOM 297 N LYS 39 7.784 48.695 66.882 1.00 0.00 ATOM 298 CA LYS 39 8.627 47.538 66.944 1.00 0.00 ATOM 299 CB LYS 39 9.552 47.483 65.726 1.00 0.00 ATOM 300 CG LYS 39 8.840 47.168 64.420 1.00 0.00 ATOM 301 CD LYS 39 9.817 47.127 63.256 1.00 0.00 ATOM 302 CE LYS 39 9.102 46.836 61.946 1.00 0.00 ATOM 303 NZ LYS 39 10.041 46.826 60.791 1.00 0.00 ATOM 304 O LYS 39 9.575 46.692 68.937 1.00 0.00 ATOM 305 C LYS 39 9.422 47.656 68.191 1.00 0.00 ATOM 306 N ASP 40 9.925 48.867 68.471 1.00 0.00 ATOM 307 CA ASP 40 10.659 49.013 69.682 1.00 0.00 ATOM 308 CB ASP 40 11.415 50.343 69.693 1.00 0.00 ATOM 309 CG ASP 40 12.602 50.347 68.750 1.00 0.00 ATOM 310 OD1 ASP 40 12.962 49.263 68.244 1.00 0.00 ATOM 311 OD2 ASP 40 13.172 51.433 68.517 1.00 0.00 ATOM 312 O ASP 40 8.527 49.401 70.653 1.00 0.00 ATOM 313 C ASP 40 9.669 48.972 70.791 1.00 0.00 ATOM 314 N GLY 41 10.079 48.396 71.927 1.00 0.00 ATOM 315 CA GLY 41 9.222 48.394 73.068 1.00 0.00 ATOM 316 O GLY 41 7.601 46.980 74.034 1.00 0.00 ATOM 317 C GLY 41 8.379 47.160 73.099 1.00 0.00 ATOM 318 N ILE 42 8.484 46.259 72.101 1.00 0.00 ATOM 319 CA ILE 42 7.614 45.123 72.223 1.00 0.00 ATOM 320 CB ILE 42 6.608 45.055 71.059 1.00 0.00 ATOM 321 CG1 ILE 42 5.724 46.304 71.045 1.00 0.00 ATOM 322 CG2 ILE 42 5.713 43.833 71.199 1.00 0.00 ATOM 323 CD1 ILE 42 4.863 46.429 69.807 1.00 0.00 ATOM 324 O ILE 42 9.261 43.588 71.387 1.00 0.00 ATOM 325 C ILE 42 8.395 43.842 72.222 1.00 0.00 ATOM 326 N PRO 43 8.074 43.042 73.203 1.00 0.00 ATOM 327 CA PRO 43 8.646 41.728 73.353 1.00 0.00 ATOM 328 CB PRO 43 8.206 41.290 74.752 1.00 0.00 ATOM 329 CG PRO 43 6.927 42.021 74.987 1.00 0.00 ATOM 330 CD PRO 43 7.075 43.352 74.305 1.00 0.00 ATOM 331 O PRO 43 8.515 39.699 72.159 1.00 0.00 ATOM 332 C PRO 43 8.096 40.850 72.278 1.00 0.00 ATOM 333 N MET 44 7.155 41.394 71.490 1.00 0.00 ATOM 334 CA MET 44 6.489 40.713 70.422 1.00 0.00 ATOM 335 CB MET 44 5.470 41.636 69.751 1.00 0.00 ATOM 336 CG MET 44 4.233 41.909 70.590 1.00 0.00 ATOM 337 SD MET 44 3.095 43.061 69.797 1.00 0.00 ATOM 338 CE MET 44 1.762 43.098 70.993 1.00 0.00 ATOM 339 O MET 44 7.437 39.289 68.766 1.00 0.00 ATOM 340 C MET 44 7.542 40.307 69.446 1.00 0.00 ATOM 341 N MET 45 8.585 41.127 69.289 1.00 0.00 ATOM 342 CA MET 45 9.590 40.666 68.391 1.00 0.00 ATOM 343 CB MET 45 9.490 41.400 67.052 1.00 0.00 ATOM 344 CG MET 45 9.793 42.887 67.135 1.00 0.00 ATOM 345 SD MET 45 9.519 43.741 65.571 1.00 0.00 ATOM 346 CE MET 45 7.731 43.840 65.547 1.00 0.00 ATOM 347 O MET 45 11.035 41.773 69.902 1.00 0.00 ATOM 348 C MET 45 10.914 40.933 69.014 1.00 0.00 ATOM 349 N LEU 46 11.938 40.172 68.585 1.00 0.00 ATOM 350 CA LEU 46 13.259 40.365 69.097 1.00 0.00 ATOM 351 CB LEU 46 13.840 39.040 69.595 1.00 0.00 ATOM 352 CG LEU 46 13.053 38.327 70.697 1.00 0.00 ATOM 353 CD1 LEU 46 13.694 36.990 71.036 1.00 0.00 ATOM 354 CD2 LEU 46 13.015 39.170 71.962 1.00 0.00 ATOM 355 O LEU 46 13.809 40.581 66.804 1.00 0.00 ATOM 356 C LEU 46 14.067 40.901 67.964 1.00 0.00 ATOM 357 N GLU 47 15.054 41.761 68.277 1.00 0.00 ATOM 358 CA GLU 47 15.882 42.314 67.250 1.00 0.00 ATOM 359 CB GLU 47 15.866 43.843 67.314 1.00 0.00 ATOM 360 CG GLU 47 16.719 44.517 66.252 1.00 0.00 ATOM 361 CD GLU 47 16.650 46.030 66.323 1.00 0.00 ATOM 362 OE1 GLU 47 15.983 46.551 67.242 1.00 0.00 ATOM 363 OE2 GLU 47 17.262 46.694 65.461 1.00 0.00 ATOM 364 O GLU 47 17.816 41.942 68.573 1.00 0.00 ATOM 365 C GLU 47 17.261 41.801 67.485 1.00 0.00 ATOM 366 N SER 48 17.854 41.173 66.455 1.00 0.00 ATOM 367 CA SER 48 19.166 40.631 66.623 1.00 0.00 ATOM 368 CB SER 48 19.101 39.283 67.343 1.00 0.00 ATOM 369 OG SER 48 18.492 38.297 66.527 1.00 0.00 ATOM 370 O SER 48 19.138 40.770 64.255 1.00 0.00 ATOM 371 C SER 48 19.758 40.453 65.269 1.00 0.00 ATOM 372 N GLU 49 21.013 39.971 65.229 1.00 0.00 ATOM 373 CA GLU 49 21.667 39.743 63.976 1.00 0.00 ATOM 374 CB GLU 49 23.136 39.376 64.197 1.00 0.00 ATOM 375 CG GLU 49 23.994 40.526 64.698 1.00 0.00 ATOM 376 CD GLU 49 25.411 40.097 65.023 1.00 0.00 ATOM 377 OE1 GLU 49 25.703 38.886 64.925 1.00 0.00 ATOM 378 OE2 GLU 49 26.231 40.971 65.375 1.00 0.00 ATOM 379 O GLU 49 20.765 38.680 62.056 1.00 0.00 ATOM 380 C GLU 49 20.976 38.615 63.266 1.00 0.00 ATOM 381 N ALA 50 20.600 37.547 64.002 1.00 0.00 ATOM 382 CA ALA 50 19.904 36.429 63.420 1.00 0.00 ATOM 383 CB ALA 50 20.050 35.197 64.300 1.00 0.00 ATOM 384 O ALA 50 18.043 37.815 63.886 1.00 0.00 ATOM 385 C ALA 50 18.460 36.815 63.307 1.00 0.00 ATOM 386 N ARG 51 17.646 36.052 62.545 1.00 0.00 ATOM 387 CA ARG 51 16.289 36.492 62.409 1.00 0.00 ATOM 388 CB ARG 51 15.944 36.718 60.936 1.00 0.00 ATOM 389 CG ARG 51 16.739 37.833 60.276 1.00 0.00 ATOM 390 CD ARG 51 16.386 37.967 58.804 1.00 0.00 ATOM 391 NE ARG 51 16.856 36.826 58.022 1.00 0.00 ATOM 392 CZ ARG 51 16.618 36.659 56.725 1.00 0.00 ATOM 393 NH1 ARG 51 17.086 35.589 56.097 1.00 0.00 ATOM 394 NH2 ARG 51 15.911 37.563 56.060 1.00 0.00 ATOM 395 O ARG 51 15.480 34.281 62.756 1.00 0.00 ATOM 396 C ARG 51 15.329 35.486 62.956 1.00 0.00 ATOM 397 N GLU 52 14.298 35.993 63.671 1.00 0.00 ATOM 398 CA GLU 52 13.294 35.160 64.261 1.00 0.00 ATOM 399 CB GLU 52 13.863 34.405 65.464 1.00 0.00 ATOM 400 CG GLU 52 14.377 35.306 66.575 1.00 0.00 ATOM 401 CD GLU 52 15.049 34.529 67.691 1.00 0.00 ATOM 402 OE1 GLU 52 15.142 33.288 67.578 1.00 0.00 ATOM 403 OE2 GLU 52 15.481 35.161 68.678 1.00 0.00 ATOM 404 O GLU 52 12.212 37.258 64.619 1.00 0.00 ATOM 405 C GLU 52 12.156 36.030 64.710 1.00 0.00 ATOM 406 N LEU 53 11.066 35.363 65.155 1.00 0.00 ATOM 407 CA LEU 53 9.899 35.939 65.764 1.00 0.00 ATOM 408 CB LEU 53 8.684 35.782 64.848 1.00 0.00 ATOM 409 CG LEU 53 7.351 36.296 65.396 1.00 0.00 ATOM 410 CD1 LEU 53 7.357 37.815 65.485 1.00 0.00 ATOM 411 CD2 LEU 53 6.201 35.878 64.492 1.00 0.00 ATOM 412 O LEU 53 9.960 33.946 67.033 1.00 0.00 ATOM 413 C LEU 53 9.753 35.158 67.030 1.00 0.00 ATOM 414 N ALA 54 9.414 35.816 68.153 1.00 0.00 ATOM 415 CA ALA 54 9.356 35.057 69.368 1.00 0.00 ATOM 416 CB ALA 54 9.158 35.980 70.561 1.00 0.00 ATOM 417 O ALA 54 7.153 34.429 68.735 1.00 0.00 ATOM 418 C ALA 54 8.210 34.108 69.275 1.00 0.00 ATOM 419 N PRO 55 8.431 32.916 69.757 1.00 0.00 ATOM 420 CA PRO 55 7.379 31.942 69.771 1.00 0.00 ATOM 421 CB PRO 55 8.074 30.653 70.213 1.00 0.00 ATOM 422 CG PRO 55 9.290 31.115 70.943 1.00 0.00 ATOM 423 CD PRO 55 9.731 32.380 70.259 1.00 0.00 ATOM 424 O PRO 55 5.144 32.007 70.489 1.00 0.00 ATOM 425 C PRO 55 6.304 32.341 70.724 1.00 0.00 ATOM 426 N GLU 56 6.653 33.030 71.824 1.00 0.00 ATOM 427 CA GLU 56 5.603 33.440 72.701 1.00 0.00 ATOM 428 CB GLU 56 6.180 34.020 73.994 1.00 0.00 ATOM 429 CG GLU 56 6.843 32.991 74.895 1.00 0.00 ATOM 430 CD GLU 56 7.510 33.618 76.103 1.00 0.00 ATOM 431 OE1 GLU 56 7.517 34.863 76.199 1.00 0.00 ATOM 432 OE2 GLU 56 8.026 32.864 76.954 1.00 0.00 ATOM 433 O GLU 56 3.601 34.531 72.038 1.00 0.00 ATOM 434 C GLU 56 4.827 34.472 71.965 1.00 0.00 ATOM 435 N GLU 57 5.551 35.311 71.210 1.00 0.00 ATOM 436 CA GLU 57 4.925 36.369 70.493 1.00 0.00 ATOM 437 CB GLU 57 5.975 37.258 69.825 1.00 0.00 ATOM 438 CG GLU 57 6.837 38.042 70.801 1.00 0.00 ATOM 439 CD GLU 57 7.962 37.209 71.384 1.00 0.00 ATOM 440 OE1 GLU 57 8.102 36.035 70.981 1.00 0.00 ATOM 441 OE2 GLU 57 8.703 37.731 72.243 1.00 0.00 ATOM 442 O GLU 57 2.927 36.268 69.234 1.00 0.00 ATOM 443 C GLU 57 4.035 35.782 69.443 1.00 0.00 ATOM 444 N GLU 58 4.472 34.695 68.776 1.00 0.00 ATOM 445 CA GLU 58 3.663 34.117 67.736 1.00 0.00 ATOM 446 CB GLU 58 4.404 32.961 67.061 1.00 0.00 ATOM 447 CG GLU 58 3.646 32.329 65.905 1.00 0.00 ATOM 448 CD GLU 58 4.434 31.227 65.225 1.00 0.00 ATOM 449 OE1 GLU 58 5.581 30.970 65.647 1.00 0.00 ATOM 450 OE2 GLU 58 3.904 30.620 64.270 1.00 0.00 ATOM 451 O GLU 58 1.332 33.680 67.731 1.00 0.00 ATOM 452 C GLU 58 2.397 33.608 68.345 1.00 0.00 ATOM 453 N VAL 59 2.482 33.068 69.574 1.00 0.00 ATOM 454 CA VAL 59 1.313 32.576 70.243 1.00 0.00 ATOM 455 CB VAL 59 1.667 31.927 71.594 1.00 0.00 ATOM 456 CG1 VAL 59 0.403 31.594 72.372 1.00 0.00 ATOM 457 CG2 VAL 59 2.451 30.642 71.379 1.00 0.00 ATOM 458 O VAL 59 -0.826 33.595 70.368 1.00 0.00 ATOM 459 C VAL 59 0.392 33.731 70.479 1.00 0.00 ATOM 460 N LYS 60 0.959 34.910 70.802 1.00 0.00 ATOM 461 CA LYS 60 0.167 36.072 71.092 1.00 0.00 ATOM 462 CB LYS 60 1.066 37.260 71.440 1.00 0.00 ATOM 463 CG LYS 60 1.771 37.134 72.780 1.00 0.00 ATOM 464 CD LYS 60 2.643 38.346 73.062 1.00 0.00 ATOM 465 CE LYS 60 3.368 38.209 74.391 1.00 0.00 ATOM 466 NZ LYS 60 4.252 39.375 74.665 1.00 0.00 ATOM 467 O LYS 60 -1.815 36.761 69.986 1.00 0.00 ATOM 468 C LYS 60 -0.646 36.394 69.879 1.00 0.00 ATOM 469 N LEU 61 -0.042 36.259 68.683 1.00 0.00 ATOM 470 CA LEU 61 -0.740 36.561 67.467 1.00 0.00 ATOM 471 CB LEU 61 0.179 36.368 66.259 1.00 0.00 ATOM 472 CG LEU 61 -0.429 36.672 64.889 1.00 0.00 ATOM 473 CD1 LEU 61 -0.860 38.128 64.802 1.00 0.00 ATOM 474 CD2 LEU 61 0.580 36.408 63.782 1.00 0.00 ATOM 475 O LEU 61 -3.009 36.079 66.984 1.00 0.00 ATOM 476 C LEU 61 -1.915 35.646 67.342 1.00 0.00 ATOM 477 N GLU 62 -1.728 34.357 67.671 1.00 0.00 ATOM 478 CA GLU 62 -2.781 33.404 67.483 1.00 0.00 ATOM 479 CB GLU 62 -2.335 32.015 67.943 1.00 0.00 ATOM 480 CG GLU 62 -3.378 30.928 67.737 1.00 0.00 ATOM 481 CD GLU 62 -2.888 29.561 68.173 1.00 0.00 ATOM 482 OE1 GLU 62 -1.728 29.461 68.624 1.00 0.00 ATOM 483 OE2 GLU 62 -3.665 28.589 68.064 1.00 0.00 ATOM 484 O GLU 62 -5.087 33.878 67.757 1.00 0.00 ATOM 485 C GLU 62 -3.976 33.820 68.280 1.00 0.00 ATOM 486 N HIS 63 -3.773 34.151 69.566 1.00 0.00 ATOM 487 CA HIS 63 -4.876 34.501 70.413 1.00 0.00 ATOM 488 CB HIS 63 -4.402 34.707 71.853 1.00 0.00 ATOM 489 CG HIS 63 -3.991 33.442 72.540 1.00 0.00 ATOM 490 CD2 HIS 63 -2.747 32.908 73.076 1.00 0.00 ATOM 491 ND1 HIS 63 -4.876 32.423 72.815 1.00 0.00 ATOM 492 CE1 HIS 63 -4.218 31.426 73.433 1.00 0.00 ATOM 493 NE2 HIS 63 -2.940 31.710 73.593 1.00 0.00 ATOM 494 O HIS 63 -6.730 35.878 69.877 1.00 0.00 ATOM 495 C HIS 63 -5.506 35.768 69.928 1.00 0.00 ATOM 496 N HIS 64 -4.675 36.748 69.528 1.00 0.00 ATOM 497 CA HIS 64 -5.141 38.046 69.129 1.00 0.00 ATOM 498 CB HIS 64 -3.961 38.951 68.768 1.00 0.00 ATOM 499 CG HIS 64 -3.134 39.364 69.946 1.00 0.00 ATOM 500 CD2 HIS 64 -3.297 39.330 71.392 1.00 0.00 ATOM 501 ND1 HIS 64 -1.886 39.932 69.816 1.00 0.00 ATOM 502 CE1 HIS 64 -1.394 40.192 71.041 1.00 0.00 ATOM 503 NE2 HIS 64 -2.235 39.833 71.991 1.00 0.00 ATOM 504 O HIS 64 -7.046 38.619 67.858 1.00 0.00 ATOM 505 C HIS 64 -6.032 37.925 67.938 1.00 0.00 ATOM 506 N HIS 65 -5.689 37.034 66.987 1.00 0.00 ATOM 507 CA HIS 65 -6.484 36.927 65.798 1.00 0.00 ATOM 508 CB HIS 65 -5.934 35.831 64.883 1.00 0.00 ATOM 509 CG HIS 65 -6.711 35.658 63.615 1.00 0.00 ATOM 510 CD2 HIS 65 -7.625 34.656 63.085 1.00 0.00 ATOM 511 ND1 HIS 65 -6.669 36.573 62.586 1.00 0.00 ATOM 512 CE1 HIS 65 -7.464 36.147 61.588 1.00 0.00 ATOM 513 NE2 HIS 65 -8.040 34.997 61.881 1.00 0.00 ATOM 514 O HIS 65 -8.840 37.175 65.728 1.00 0.00 ATOM 515 C HIS 65 -7.875 36.590 66.218 1.00 0.00 ATOM 516 N HIS 66 -8.010 35.645 67.162 1.00 0.00 ATOM 517 CA HIS 66 -9.314 35.280 67.624 1.00 0.00 ATOM 518 CB HIS 66 -9.251 33.986 68.438 1.00 0.00 ATOM 519 CG HIS 66 -8.850 32.787 67.637 1.00 0.00 ATOM 520 CD2 HIS 66 -7.660 31.954 67.539 1.00 0.00 ATOM 521 ND1 HIS 66 -9.687 32.192 66.718 1.00 0.00 ATOM 522 CE1 HIS 66 -9.052 31.145 66.161 1.00 0.00 ATOM 523 NE2 HIS 66 -7.836 30.996 66.650 1.00 0.00 ATOM 524 O HIS 66 -9.065 37.257 68.911 1.00 0.00 ATOM 525 C HIS 66 -9.824 36.391 68.480 1.00 0.00 ATOM 526 N HIS 67 -11.149 36.411 68.723 1.00 0.00 ATOM 527 CA HIS 67 -11.709 37.495 69.470 1.00 0.00 ATOM 528 CB HIS 67 -13.217 37.305 69.642 1.00 0.00 ATOM 529 CG HIS 67 -13.871 38.371 70.464 1.00 0.00 ATOM 530 CD2 HIS 67 -14.412 38.458 71.813 1.00 0.00 ATOM 531 ND1 HIS 67 -14.098 39.644 69.987 1.00 0.00 ATOM 532 CE1 HIS 67 -14.696 40.372 70.948 1.00 0.00 ATOM 533 NE2 HIS 67 -14.887 39.666 72.046 1.00 0.00 ATOM 534 O HIS 67 -10.597 38.587 71.251 1.00 0.00 ATOM 535 C HIS 67 -11.058 37.534 70.813 1.00 0.00 ATOM 536 N HIS 68 -10.973 36.387 71.509 1.00 0.00 ATOM 537 CA HIS 68 -10.319 36.442 72.781 1.00 0.00 ATOM 538 CB HIS 68 -10.856 35.349 73.707 1.00 0.00 ATOM 539 CG HIS 68 -12.320 35.469 73.997 1.00 0.00 ATOM 540 CD2 HIS 68 -13.509 34.693 73.677 1.00 0.00 ATOM 541 ND1 HIS 68 -12.851 36.505 74.735 1.00 0.00 ATOM 542 CE1 HIS 68 -14.183 36.342 74.825 1.00 0.00 ATOM 543 NE2 HIS 68 -14.584 35.256 74.192 1.00 0.00 ATOM 544 O HIS 68 -8.230 37.081 71.816 1.00 0.00 ATOM 545 C HIS 68 -8.834 36.232 72.525 1.00 0.00 ENDMDL