EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 11:58:19 REMARK 6 MODELLER OBJECTIVE FUNCTION: 448.0576 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 85.075 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -5216.49707 REMARK 6 GA341 score: 1.00000 REMARK 6 Normalized DOPE score: -0.27661 REMARK 6 TEMPLATE: 1lcyA02 127:A - 202:A MODELS 1: - 76: AT 85.1% ATOM 1 N MET 1 11.314 14.508 55.261 1.00 35.10 N ATOM 2 CA MET 1 10.063 15.261 55.489 1.00 35.10 C ATOM 3 CB MET 1 10.158 16.101 56.773 1.00 35.10 C ATOM 4 CG MET 1 10.406 15.282 58.042 1.00 35.10 C ATOM 5 SD MET 1 9.129 14.046 58.422 1.00 35.10 S ATOM 6 CE MET 1 9.722 12.840 57.201 1.00 35.10 C ATOM 7 C MET 1 9.807 16.202 54.360 1.00 35.10 C ATOM 8 O MET 1 10.739 16.722 53.747 1.00 35.10 O ATOM 9 N GLY 2 8.516 16.436 54.056 1.00 19.34 N ATOM 10 CA GLY 2 8.143 17.337 53.008 1.00 19.34 C ATOM 11 C GLY 2 6.877 17.983 53.463 1.00 19.34 C ATOM 12 O GLY 2 6.192 17.458 54.340 1.00 19.34 O ATOM 13 N SER 3 6.528 19.146 52.884 1.00 82.33 N ATOM 14 CA SER 3 5.332 19.805 53.323 1.00 82.33 C ATOM 15 CB SER 3 5.239 21.289 52.922 1.00 82.33 C ATOM 16 OG SER 3 5.064 21.409 51.518 1.00 82.33 O ATOM 17 C SER 3 4.152 19.114 52.731 1.00 82.33 C ATOM 18 O SER 3 4.206 18.539 51.642 1.00 82.33 O ATOM 19 N PRO 4 3.068 19.155 53.449 1.00 65.64 N ATOM 20 CA PRO 4 1.866 18.554 52.947 1.00 65.64 C ATOM 21 CD PRO 4 3.135 19.115 54.901 1.00 65.64 C ATOM 22 CB PRO 4 0.900 18.532 54.128 1.00 65.64 C ATOM 23 CG PRO 4 1.833 18.430 55.350 1.00 65.64 C ATOM 24 C PRO 4 1.382 19.299 51.749 1.00 65.64 C ATOM 25 O PRO 4 0.638 18.731 50.949 1.00 65.64 O ATOM 26 N PHE 5 1.772 20.581 51.616 1.00 50.18 N ATOM 27 CA PHE 5 1.342 21.385 50.512 1.00 50.18 C ATOM 28 CB PHE 5 1.772 22.855 50.641 1.00 50.18 C ATOM 29 CG PHE 5 0.989 23.463 51.751 1.00 50.18 C ATOM 30 CD1 PHE 5 1.357 23.268 53.063 1.00 50.18 C ATOM 31 CD2 PHE 5 -0.115 24.236 51.473 1.00 50.18 C ATOM 32 CE1 PHE 5 0.630 23.840 54.079 1.00 50.18 C ATOM 33 CE2 PHE 5 -0.846 24.811 52.484 1.00 50.18 C ATOM 34 CZ PHE 5 -0.473 24.608 53.792 1.00 50.18 C ATOM 35 C PHE 5 1.917 20.876 49.226 1.00 50.18 C ATOM 36 O PHE 5 1.213 20.804 48.219 1.00 50.18 O ATOM 37 N SER 6 3.220 20.518 49.216 1.00114.63 N ATOM 38 CA SER 6 3.830 20.109 47.981 1.00114.63 C ATOM 39 CB SER 6 5.367 20.090 48.021 1.00114.63 C ATOM 40 OG SER 6 5.864 21.403 48.240 1.00114.63 O ATOM 41 C SER 6 3.360 18.735 47.684 1.00114.63 C ATOM 42 O SER 6 3.438 17.881 48.567 1.00114.63 O ATOM 43 N ILE 7 2.924 18.500 46.416 1.00211.26 N ATOM 44 CA ILE 7 2.344 17.236 46.068 1.00211.26 C ATOM 45 CB ILE 7 3.316 16.091 45.823 1.00211.26 C ATOM 46 CG1 ILE 7 2.563 14.918 45.175 1.00211.26 C ATOM 47 CG2 ILE 7 4.086 15.691 47.091 1.00211.26 C ATOM 48 CD1 ILE 7 3.486 13.830 44.625 1.00211.26 C ATOM 49 C ILE 7 1.330 16.972 47.128 1.00211.26 C ATOM 50 O ILE 7 0.453 17.809 47.354 1.00211.26 O ATOM 51 N LYS 8 1.336 15.769 47.720 1.00180.02 N ATOM 52 CA LYS 8 0.434 15.552 48.808 1.00180.02 C ATOM 53 CB LYS 8 -0.537 14.380 48.578 1.00180.02 C ATOM 54 CG LYS 8 0.108 12.998 48.470 1.00180.02 C ATOM 55 CD LYS 8 -0.925 11.874 48.351 1.00180.02 C ATOM 56 CE LYS 8 -2.028 11.932 49.412 1.00180.02 C ATOM 57 NZ LYS 8 -1.481 11.564 50.736 1.00180.02 N ATOM 58 C LYS 8 1.261 15.305 50.028 1.00180.02 C ATOM 59 O LYS 8 2.479 15.481 49.999 1.00180.02 O ATOM 60 N ASN 9 0.628 14.938 51.159 1.00130.96 N ATOM 61 CA ASN 9 1.454 14.741 52.309 1.00130.96 C ATOM 62 CB ASN 9 0.737 14.928 53.653 1.00130.96 C ATOM 63 CG ASN 9 1.832 15.151 54.686 1.00130.96 C ATOM 64 OD1 ASN 9 1.655 14.871 55.869 1.00130.96 O ATOM 65 ND2 ASN 9 3.001 15.678 54.231 1.00130.96 N ATOM 66 C ASN 9 1.973 13.342 52.257 1.00130.96 C ATOM 67 O ASN 9 1.386 12.423 52.826 1.00130.96 O ATOM 68 N THR 10 3.106 13.150 51.554 1.00 52.75 N ATOM 69 CA THR 10 3.689 11.848 51.462 1.00 52.75 C ATOM 70 CB THR 10 3.818 11.359 50.048 1.00 52.75 C ATOM 71 OG1 THR 10 2.540 11.325 49.433 1.00 52.75 O ATOM 72 CG2 THR 10 4.440 9.951 50.056 1.00 52.75 C ATOM 73 C THR 10 5.074 11.953 52.006 1.00 52.75 C ATOM 74 O THR 10 5.949 12.561 51.392 1.00 52.75 O ATOM 75 N ILE 11 5.317 11.340 53.176 1.00164.99 N ATOM 76 CA ILE 11 6.612 11.392 53.782 1.00164.99 C ATOM 77 CB ILE 11 6.618 11.877 55.204 1.00164.99 C ATOM 78 CG1 ILE 11 5.662 11.059 56.092 1.00164.99 C ATOM 79 CG2 ILE 11 6.341 13.383 55.181 1.00164.99 C ATOM 80 CD1 ILE 11 4.181 11.256 55.754 1.00164.99 C ATOM 81 C ILE 11 7.189 10.027 53.740 1.00164.99 C ATOM 82 O ILE 11 6.475 9.034 53.870 1.00164.99 O ATOM 83 N THR 12 8.516 9.948 53.516 1.00113.65 N ATOM 84 CA THR 12 9.153 8.676 53.376 1.00113.65 C ATOM 85 CB THR 12 9.915 8.559 52.092 1.00113.65 C ATOM 86 OG1 THR 12 9.061 8.819 50.993 1.00113.65 O ATOM 87 CG2 THR 12 10.454 7.130 51.988 1.00113.65 C ATOM 88 C THR 12 10.141 8.509 54.485 1.00113.65 C ATOM 89 O THR 12 10.622 9.491 55.059 1.00113.65 O ATOM 90 N SER 13 10.453 7.244 54.827 1.00 33.49 N ATOM 91 CA SER 13 11.391 6.956 55.873 1.00 33.49 C ATOM 92 CB SER 13 10.738 6.392 57.147 1.00 33.49 C ATOM 93 OG SER 13 11.726 6.140 58.135 1.00 33.49 O ATOM 94 C SER 13 12.337 5.918 55.348 1.00 33.49 C ATOM 95 O SER 13 12.059 5.272 54.336 1.00 33.49 O ATOM 96 N GLY 14 13.497 5.741 56.016 1.00 27.48 N ATOM 97 CA GLY 14 14.434 4.767 55.532 1.00 27.48 C ATOM 98 C GLY 14 15.694 4.824 56.343 1.00 27.48 C ATOM 99 O GLY 14 15.709 5.306 57.475 1.00 27.48 O ATOM 100 N ILE 15 16.794 4.328 55.742 1.00 58.19 N ATOM 101 CA ILE 15 18.071 4.184 56.386 1.00 58.19 C ATOM 102 CB ILE 15 18.542 2.763 56.334 1.00 58.19 C ATOM 103 CG1 ILE 15 18.728 2.353 54.858 1.00 58.19 C ATOM 104 CG2 ILE 15 17.539 1.881 57.097 1.00 58.19 C ATOM 105 CD1 ILE 15 19.420 1.005 54.665 1.00 58.19 C ATOM 106 C ILE 15 19.095 4.961 55.613 1.00 58.19 C ATOM 107 O ILE 15 18.921 5.231 54.428 1.00 58.19 O ATOM 108 N VAL 16 20.192 5.359 56.296 1.00 44.32 N ATOM 109 CA VAL 16 21.274 6.030 55.634 1.00 44.32 C ATOM 110 CB VAL 16 22.132 6.827 56.571 1.00 44.32 C ATOM 111 CG1 VAL 16 23.301 7.422 55.772 1.00 44.32 C ATOM 112 CG2 VAL 16 21.261 7.880 57.273 1.00 44.32 C ATOM 113 C VAL 16 22.135 4.945 55.065 1.00 44.32 C ATOM 114 O VAL 16 22.792 4.206 55.797 1.00 44.32 O ATOM 115 N SER 17 22.125 4.817 53.727 1.00 42.38 N ATOM 116 CA SER 17 22.865 3.789 53.053 1.00 42.38 C ATOM 117 CB SER 17 22.496 3.686 51.563 1.00 42.38 C ATOM 118 OG SER 17 21.123 3.357 51.418 1.00 42.38 O ATOM 119 C SER 17 24.334 4.074 53.128 1.00 42.38 C ATOM 120 O SER 17 25.144 3.162 53.277 1.00 42.38 O ATOM 121 N SER 18 24.713 5.360 53.038 1.00 45.35 N ATOM 122 CA SER 18 26.099 5.733 52.949 1.00 45.35 C ATOM 123 CB SER 18 26.305 7.101 52.283 1.00 45.35 C ATOM 124 OG SER 18 25.653 8.108 53.045 1.00 45.35 O ATOM 125 C SER 18 26.757 5.795 54.290 1.00 45.35 C ATOM 126 O SER 18 26.107 5.783 55.335 1.00 45.35 O ATOM 127 N ALA 19 28.105 5.849 54.271 1.00 36.14 N ATOM 128 CA ALA 19 28.879 5.965 55.472 1.00 36.14 C ATOM 129 CB ALA 19 30.078 5.001 55.521 1.00 36.14 C ATOM 130 C ALA 19 29.427 7.355 55.466 1.00 36.14 C ATOM 131 O ALA 19 29.946 7.815 54.450 1.00 36.14 O ATOM 132 N GLN 20 29.315 8.074 56.601 1.00 95.36 N ATOM 133 CA GLN 20 29.801 9.422 56.608 1.00 95.36 C ATOM 134 CB GLN 20 28.712 10.490 56.835 1.00 95.36 C ATOM 135 CG GLN 20 27.722 10.655 55.681 1.00 95.36 C ATOM 136 CD GLN 20 26.572 9.669 55.843 1.00 95.36 C ATOM 137 OE1 GLN 20 25.599 9.717 55.092 1.00 95.36 O ATOM 138 NE2 GLN 20 26.669 8.760 56.848 1.00 95.36 N ATOM 139 C GLN 20 30.780 9.592 57.717 1.00 95.36 C ATOM 140 O GLN 20 30.561 9.136 58.837 1.00 95.36 O ATOM 141 N ARG 21 31.906 10.262 57.393 1.00105.80 N ATOM 142 CA ARG 21 32.935 10.586 58.334 1.00105.80 C ATOM 143 CB ARG 21 32.568 11.758 59.262 1.00105.80 C ATOM 144 CG ARG 21 32.534 13.093 58.513 1.00105.80 C ATOM 145 CD ARG 21 32.180 14.297 59.385 1.00105.80 C ATOM 146 NE ARG 21 33.147 14.325 60.519 1.00105.80 N ATOM 147 CZ ARG 21 32.823 13.700 61.686 1.00105.80 C ATOM 148 NH1 ARG 21 31.614 13.082 61.813 1.00105.80 N ATOM 149 NH2 ARG 21 33.709 13.694 62.728 1.00105.80 N ATOM 150 C ARG 21 33.271 9.375 59.130 1.00105.80 C ATOM 151 O ARG 21 33.374 9.423 60.355 1.00105.80 O ATOM 152 N GLY 22 33.455 8.244 58.433 1.00114.55 N ATOM 153 CA GLY 22 33.793 7.025 59.094 1.00114.55 C ATOM 154 C GLY 22 34.573 6.244 58.099 1.00114.55 C ATOM 155 O GLY 22 34.872 6.737 57.012 1.00114.55 O ATOM 156 N SER 23 34.931 4.997 58.441 1.00166.25 N ATOM 157 CA SER 23 35.669 4.242 57.478 1.00166.25 C ATOM 158 CB SER 23 36.093 2.851 57.984 1.00166.25 C ATOM 159 OG SER 23 36.817 2.162 56.976 1.00166.25 O ATOM 160 C SER 23 34.758 4.066 56.315 1.00166.25 C ATOM 161 O SER 23 33.542 3.950 56.481 1.00166.25 O ATOM 162 N LYS 24 35.316 4.077 55.090 1.00242.34 N ATOM 163 CA LYS 24 34.501 3.925 53.926 1.00242.34 C ATOM 164 CB LYS 24 34.801 4.969 52.842 1.00242.34 C ATOM 165 CG LYS 24 36.269 4.969 52.426 1.00242.34 C ATOM 166 CD LYS 24 36.569 5.884 51.244 1.00242.34 C ATOM 167 CE LYS 24 38.063 5.988 50.950 1.00242.34 C ATOM 168 NZ LYS 24 38.781 6.366 52.188 1.00242.34 N ATOM 169 C LYS 24 34.792 2.577 53.366 1.00242.34 C ATOM 170 O LYS 24 35.948 2.185 53.212 1.00242.34 O ATOM 171 N GLU 25 33.723 1.823 53.056 1.00 87.86 N ATOM 172 CA GLU 25 33.891 0.494 52.560 1.00 87.86 C ATOM 173 CB GLU 25 32.549 -0.230 52.362 1.00 87.86 C ATOM 174 CG GLU 25 31.834 -0.495 53.689 1.00 87.86 C ATOM 175 CD GLU 25 30.506 -1.177 53.407 1.00 87.86 C ATOM 176 OE1 GLU 25 29.955 -0.978 52.292 1.00 87.86 O ATOM 177 OE2 GLU 25 30.017 -1.911 54.312 1.00 87.86 O ATOM 178 C GLU 25 34.598 0.561 51.251 1.00 87.86 C ATOM 179 O GLU 25 35.526 -0.205 50.999 1.00 87.86 O ATOM 180 N LEU 26 34.193 1.496 50.369 1.00222.07 N ATOM 181 CA LEU 26 34.870 1.582 49.112 1.00222.07 C ATOM 182 CB LEU 26 33.958 1.562 47.870 1.00222.07 C ATOM 183 CG LEU 26 33.248 0.217 47.623 1.00222.07 C ATOM 184 CD1 LEU 26 32.235 -0.101 48.733 1.00222.07 C ATOM 185 CD2 LEU 26 32.633 0.167 46.214 1.00222.07 C ATOM 186 C LEU 26 35.607 2.874 49.086 1.00222.07 C ATOM 187 O LEU 26 35.347 3.767 49.892 1.00222.07 O ATOM 188 N GLY 27 36.576 2.991 48.163 1.00 97.31 N ATOM 189 CA GLY 27 37.312 4.214 48.086 1.00 97.31 C ATOM 190 C GLY 27 36.321 5.273 47.754 1.00 97.31 C ATOM 191 O GLY 27 35.483 5.103 46.868 1.00 97.31 O ATOM 192 N LEU 28 36.401 6.407 48.474 1.00282.85 N ATOM 193 CA LEU 28 35.474 7.474 48.261 1.00282.85 C ATOM 194 CB LEU 28 34.712 7.887 49.532 1.00282.85 C ATOM 195 CG LEU 28 33.659 8.986 49.296 1.00282.85 C ATOM 196 CD1 LEU 28 32.514 8.490 48.396 1.00282.85 C ATOM 197 CD2 LEU 28 33.164 9.568 50.629 1.00282.85 C ATOM 198 C LEU 28 36.265 8.651 47.803 1.00282.85 C ATOM 199 O LEU 28 37.403 8.854 48.228 1.00282.85 O ATOM 200 N SER 29 35.682 9.450 46.897 1.00 85.97 N ATOM 201 CA SER 29 36.409 10.566 46.379 1.00 85.97 C ATOM 202 CB SER 29 35.611 11.356 45.327 1.00 85.97 C ATOM 203 OG SER 29 34.420 11.882 45.893 1.00 85.97 O ATOM 204 C SER 29 36.770 11.476 47.508 1.00 85.97 C ATOM 205 O SER 29 37.947 11.652 47.813 1.00 85.97 O ATOM 206 N ASN 30 35.762 12.068 48.178 1.00256.00 N ATOM 207 CA ASN 30 36.089 12.948 49.258 1.00256.00 C ATOM 208 CB ASN 30 36.416 14.378 48.800 1.00256.00 C ATOM 209 CG ASN 30 35.167 14.928 48.132 1.00256.00 C ATOM 210 OD1 ASN 30 34.910 14.675 46.956 1.00256.00 O ATOM 211 ND2 ASN 30 34.354 15.685 48.917 1.00256.00 N ATOM 212 C ASN 30 34.916 13.034 50.178 1.00256.00 C ATOM 213 O ASN 30 33.763 13.019 49.753 1.00256.00 O ATOM 214 N SER 31 35.211 13.106 51.489 1.00 95.80 N ATOM 215 CA SER 31 34.229 13.247 52.515 1.00 95.80 C ATOM 216 CB SER 31 34.825 13.019 53.916 1.00 95.80 C ATOM 217 OG SER 31 35.867 13.948 54.153 1.00 95.80 O ATOM 218 C SER 31 33.698 14.651 52.476 1.00 95.80 C ATOM 219 O SER 31 32.622 14.923 53.004 1.00 95.80 O ATOM 220 N ASN 32 34.427 15.579 51.820 1.00129.55 N ATOM 221 CA ASN 32 34.085 16.975 51.913 1.00129.55 C ATOM 222 CB ASN 32 34.981 17.849 51.026 1.00129.55 C ATOM 223 CG ASN 32 36.401 17.714 51.547 1.00129.55 C ATOM 224 OD1 ASN 32 37.077 16.716 51.298 1.00129.55 O ATOM 225 ND2 ASN 32 36.873 18.747 52.292 1.00129.55 N ATOM 226 C ASN 32 32.669 17.240 51.495 1.00129.55 C ATOM 227 O ASN 32 31.849 17.642 52.320 1.00129.55 O ATOM 228 N MET 33 32.309 17.012 50.218 1.00120.22 N ATOM 229 CA MET 33 30.933 17.260 49.886 1.00120.22 C ATOM 230 CB MET 33 30.737 18.192 48.683 1.00120.22 C ATOM 231 CG MET 33 31.229 19.613 48.966 1.00120.22 C ATOM 232 SD MET 33 30.886 20.811 47.646 1.00120.22 S ATOM 233 CE MET 33 29.116 20.953 48.029 1.00120.22 C ATOM 234 C MET 33 30.388 15.931 49.559 1.00120.22 C ATOM 235 O MET 33 30.225 15.555 48.398 1.00120.22 O ATOM 236 N ASP 34 30.084 15.178 50.620 1.00108.11 N ATOM 237 CA ASP 34 29.612 13.858 50.409 1.00108.11 C ATOM 238 CB ASP 34 30.367 12.831 51.272 1.00108.11 C ATOM 239 CG ASP 34 29.876 11.428 50.953 1.00108.11 C ATOM 240 OD1 ASP 34 28.750 11.081 51.395 1.00108.11 O ATOM 241 OD2 ASP 34 30.620 10.680 50.264 1.00108.11 O ATOM 242 C ASP 34 28.168 13.847 50.768 1.00108.11 C ATOM 243 O ASP 34 27.796 14.023 51.928 1.00108.11 O ATOM 244 N TYR 35 27.317 13.650 49.744 1.00 87.94 N ATOM 245 CA TYR 35 25.896 13.598 49.891 1.00 87.94 C ATOM 246 CB TYR 35 25.146 13.314 48.576 1.00 87.94 C ATOM 247 CG TYR 35 25.317 14.460 47.640 1.00 87.94 C ATOM 248 CD1 TYR 35 26.445 14.574 46.861 1.00 87.94 C ATOM 249 CD2 TYR 35 24.335 15.419 47.533 1.00 87.94 C ATOM 250 CE1 TYR 35 26.596 15.630 45.995 1.00 87.94 C ATOM 251 CE2 TYR 35 24.479 16.476 46.667 1.00 87.94 C ATOM 252 CZ TYR 35 25.613 16.584 45.896 1.00 87.94 C ATOM 253 OH TYR 35 25.768 17.666 45.005 1.00 87.94 O ATOM 254 C TYR 35 25.571 12.457 50.799 1.00 87.94 C ATOM 255 O TYR 35 26.304 11.478 50.870 1.00 87.94 O ATOM 256 N ILE 36 24.474 12.606 51.572 1.00 76.98 N ATOM 257 CA ILE 36 23.992 11.555 52.419 1.00 76.98 C ATOM 258 CB ILE 36 23.073 12.075 53.492 1.00 76.98 C ATOM 259 CG1 ILE 36 23.794 13.098 54.383 1.00 76.98 C ATOM 260 CG2 ILE 36 22.492 10.878 54.263 1.00 76.98 C ATOM 261 CD1 ILE 36 22.837 13.935 55.233 1.00 76.98 C ATOM 262 C ILE 36 23.136 10.726 51.514 1.00 76.98 C ATOM 263 O ILE 36 22.257 11.261 50.844 1.00 76.98 O ATOM 264 N GLN 37 23.372 9.400 51.457 1.00 66.74 N ATOM 265 CA GLN 37 22.580 8.584 50.578 1.00 66.74 C ATOM 266 CB GLN 37 23.385 7.524 49.806 1.00 66.74 C ATOM 267 CG GLN 37 24.371 8.108 48.795 1.00 66.74 C ATOM 268 CD GLN 37 25.071 6.940 48.117 1.00 66.74 C ATOM 269 OE1 GLN 37 25.445 7.017 46.947 1.00 66.74 O ATOM 270 NE2 GLN 37 25.252 5.823 48.869 1.00 66.74 N ATOM 271 C GLN 37 21.580 7.848 51.404 1.00 66.74 C ATOM 272 O GLN 37 21.906 7.305 52.459 1.00 66.74 O ATOM 273 N THR 38 20.312 7.825 50.943 1.00124.25 N ATOM 274 CA THR 38 19.304 7.152 51.702 1.00124.25 C ATOM 275 CB THR 38 18.534 8.087 52.591 1.00124.25 C ATOM 276 OG1 THR 38 17.590 7.371 53.375 1.00124.25 O ATOM 277 CG2 THR 38 17.833 9.133 51.710 1.00124.25 C ATOM 278 C THR 38 18.330 6.475 50.789 1.00124.25 C ATOM 279 O THR 38 18.136 6.853 49.634 1.00124.25 O ATOM 280 N ASP 39 17.731 5.406 51.333 1.00141.03 N ATOM 281 CA ASP 39 16.718 4.557 50.787 1.00141.03 C ATOM 282 CB ASP 39 16.540 3.347 51.721 1.00141.03 C ATOM 283 CG ASP 39 15.639 2.316 51.080 1.00141.03 C ATOM 284 OD1 ASP 39 15.184 2.574 49.939 1.00141.03 O ATOM 285 OD2 ASP 39 15.396 1.260 51.721 1.00141.03 O ATOM 286 C ASP 39 15.428 5.324 50.759 1.00141.03 C ATOM 287 O ASP 39 14.528 5.025 49.976 1.00141.03 O ATOM 288 N ALA 40 15.281 6.309 51.665 1.00 51.67 N ATOM 289 CA ALA 40 14.050 7.048 51.736 1.00 51.67 C ATOM 290 CB ALA 40 13.988 8.028 52.920 1.00 51.67 C ATOM 291 C ALA 40 13.914 7.844 50.476 1.00 51.67 C ATOM 292 O ALA 40 14.808 8.605 50.111 1.00 51.67 O ATOM 293 N THR 41 12.749 7.723 49.806 1.00108.21 N ATOM 294 CA THR 41 12.576 8.341 48.520 1.00108.21 C ATOM 295 CB THR 41 11.390 7.837 47.751 1.00108.21 C ATOM 296 OG1 THR 41 11.410 8.355 46.430 1.00108.21 O ATOM 297 CG2 THR 41 10.107 8.275 48.473 1.00108.21 C ATOM 298 C THR 41 12.435 9.824 48.637 1.00108.21 C ATOM 299 O THR 41 11.749 10.343 49.517 1.00108.21 O ATOM 300 N ILE 42 13.110 10.543 47.717 1.00 56.93 N ATOM 301 CA ILE 42 13.075 11.976 47.679 1.00 56.93 C ATOM 302 CB ILE 42 14.411 12.600 47.961 1.00 56.93 C ATOM 303 CG1 ILE 42 14.856 12.294 49.400 1.00 56.93 C ATOM 304 CG2 ILE 42 14.322 14.100 47.640 1.00 56.93 C ATOM 305 CD1 ILE 42 16.310 12.669 49.684 1.00 56.93 C ATOM 306 C ILE 42 12.683 12.399 46.296 1.00 56.93 C ATOM 307 O ILE 42 13.260 11.937 45.312 1.00 56.93 O ATOM 308 N ASP 43 11.660 13.275 46.189 1.00 96.74 N ATOM 309 CA ASP 43 11.273 13.792 44.908 1.00 96.74 C ATOM 310 CB ASP 43 10.247 12.932 44.142 1.00 96.74 C ATOM 311 CG ASP 43 8.920 12.851 44.882 1.00 96.74 C ATOM 312 OD1 ASP 43 8.792 13.423 45.999 1.00 96.74 O ATOM 313 OD2 ASP 43 8.003 12.199 44.315 1.00 96.74 O ATOM 314 C ASP 43 10.707 15.163 45.100 1.00 96.74 C ATOM 315 O ASP 43 10.983 15.846 46.091 1.00 96.74 O ATOM 316 N PHE 44 9.852 15.586 44.159 1.00 72.22 N ATOM 317 CA PHE 44 9.271 16.894 44.171 1.00 72.22 C ATOM 318 CB PHE 44 8.302 17.123 43.004 1.00 72.22 C ATOM 319 CG PHE 44 7.662 18.439 43.259 1.00 72.22 C ATOM 320 CD1 PHE 44 8.406 19.592 43.185 1.00 72.22 C ATOM 321 CD2 PHE 44 6.321 18.519 43.555 1.00 72.22 C ATOM 322 CE1 PHE 44 7.824 20.814 43.418 1.00 72.22 C ATOM 323 CE2 PHE 44 5.734 19.740 43.788 1.00 72.22 C ATOM 324 CZ PHE 44 6.487 20.888 43.721 1.00 72.22 C ATOM 325 C PHE 44 8.508 17.060 45.445 1.00 72.22 C ATOM 326 O PHE 44 8.413 18.160 45.987 1.00 72.22 O ATOM 327 N GLY 45 7.924 15.963 45.945 1.00 63.89 N ATOM 328 CA GLY 45 7.115 16.005 47.126 1.00 63.89 C ATOM 329 C GLY 45 7.889 16.478 48.327 1.00 63.89 C ATOM 330 O GLY 45 7.306 17.121 49.199 1.00 63.89 O ATOM 331 N ASN 46 9.188 16.127 48.464 1.00134.03 N ATOM 332 CA ASN 46 9.847 16.565 49.669 1.00134.03 C ATOM 333 CB ASN 46 10.010 15.416 50.682 1.00134.03 C ATOM 334 CG ASN 46 10.800 14.297 50.016 1.00134.03 C ATOM 335 OD1 ASN 46 11.187 14.401 48.854 1.00134.03 O ATOM 336 ND2 ASN 46 11.026 13.182 50.763 1.00134.03 N ATOM 337 C ASN 46 11.203 17.165 49.418 1.00134.03 C ATOM 338 O ASN 46 11.973 17.342 50.360 1.00134.03 O ATOM 339 N SER 47 11.530 17.560 48.171 1.00 79.62 N ATOM 340 CA SER 47 12.836 18.121 47.960 1.00 79.62 C ATOM 341 CB SER 47 13.164 18.374 46.477 1.00 79.62 C ATOM 342 OG SER 47 14.474 18.900 46.355 1.00 79.62 O ATOM 343 C SER 47 12.878 19.445 48.659 1.00 79.62 C ATOM 344 O SER 47 11.888 20.171 48.702 1.00 79.62 O ATOM 345 N GLY 48 14.039 19.788 49.251 1.00 20.83 N ATOM 346 CA GLY 48 14.181 21.050 49.920 1.00 20.83 C ATOM 347 C GLY 48 13.786 20.870 51.352 1.00 20.83 C ATOM 348 O GLY 48 14.073 21.722 52.193 1.00 20.83 O ATOM 349 N GLY 49 13.115 19.745 51.669 1.00 26.52 N ATOM 350 CA GLY 49 12.701 19.486 53.018 1.00 26.52 C ATOM 351 C GLY 49 13.865 18.883 53.735 1.00 26.52 C ATOM 352 O GLY 49 14.892 18.575 53.124 1.00 26.52 O ATOM 353 N PRO 50 13.750 18.726 55.026 1.00 85.81 N ATOM 354 CA PRO 50 14.837 18.160 55.781 1.00 85.81 C ATOM 355 CD PRO 50 12.985 19.679 55.817 1.00 85.81 C ATOM 356 CB PRO 50 14.777 18.799 57.170 1.00 85.81 C ATOM 357 CG PRO 50 13.349 19.355 57.273 1.00 85.81 C ATOM 358 C PRO 50 14.869 16.660 55.847 1.00 85.81 C ATOM 359 O PRO 50 13.814 16.025 55.811 1.00 85.81 O ATOM 360 N LEU 51 16.083 16.094 55.981 1.00144.53 N ATOM 361 CA LEU 51 16.306 14.691 56.198 1.00144.53 C ATOM 362 CB LEU 51 17.658 14.235 55.603 1.00144.53 C ATOM 363 CG LEU 51 17.918 12.713 55.538 1.00144.53 C ATOM 364 CD1 LEU 51 17.767 12.030 56.900 1.00144.53 C ATOM 365 CD2 LEU 51 17.102 12.036 54.431 1.00144.53 C ATOM 366 C LEU 51 16.468 14.667 57.688 1.00144.53 C ATOM 367 O LEU 51 17.358 15.339 58.201 1.00144.53 O ATOM 368 N ILE 52 15.628 13.909 58.428 1.00101.54 N ATOM 369 CA ILE 52 15.680 13.986 59.867 1.00101.54 C ATOM 370 CB ILE 52 14.358 14.325 60.487 1.00101.54 C ATOM 371 CG1 ILE 52 13.858 15.695 60.006 1.00101.54 C ATOM 372 CG2 ILE 52 14.526 14.234 62.011 1.00101.54 C ATOM 373 CD1 ILE 52 14.778 16.847 60.404 1.00101.54 C ATOM 374 C ILE 52 16.057 12.659 60.451 1.00101.54 C ATOM 375 O ILE 52 15.629 11.609 59.974 1.00101.54 O ATOM 376 N ASN 53 16.880 12.692 61.518 1.00 63.64 N ATOM 377 CA ASN 53 17.320 11.508 62.198 1.00 63.64 C ATOM 378 CB ASN 53 18.747 11.615 62.773 1.00 63.64 C ATOM 379 CG ASN 53 18.831 12.734 63.803 1.00 63.64 C ATOM 380 OD1 ASN 53 17.823 13.284 64.246 1.00 63.64 O ATOM 381 ND2 ASN 53 20.086 13.092 64.182 1.00 63.64 N ATOM 382 C ASN 53 16.352 11.175 63.289 1.00 63.64 C ATOM 383 O ASN 53 15.305 11.804 63.432 1.00 63.64 O ATOM 384 N LEU 54 16.703 10.149 64.087 1.00 46.94 N ATOM 385 CA LEU 54 15.887 9.607 65.134 1.00 46.94 C ATOM 386 CB LEU 54 16.622 8.481 65.880 1.00 46.94 C ATOM 387 CG LEU 54 17.005 7.291 64.981 1.00 46.94 C ATOM 388 CD1 LEU 54 17.737 6.198 65.776 1.00 46.94 C ATOM 389 CD2 LEU 54 15.783 6.758 64.218 1.00 46.94 C ATOM 390 C LEU 54 15.588 10.669 66.147 1.00 46.94 C ATOM 391 O LEU 54 14.462 10.760 66.642 1.00 46.94 O ATOM 392 N ASP 55 16.591 11.493 66.497 1.00 51.39 N ATOM 393 CA ASP 55 16.401 12.521 67.482 1.00 51.39 C ATOM 394 CB ASP 55 17.704 13.196 67.938 1.00 51.39 C ATOM 395 CG ASP 55 18.429 12.196 68.829 1.00 51.39 C ATOM 396 OD1 ASP 55 18.034 11.000 68.821 1.00 51.39 O ATOM 397 OD2 ASP 55 19.378 12.621 69.540 1.00 51.39 O ATOM 398 C ASP 55 15.474 13.561 66.942 1.00 51.39 C ATOM 399 O ASP 55 14.792 14.251 67.698 1.00 51.39 O ATOM 400 N GLY 56 15.405 13.711 65.608 1.00 27.50 N ATOM 401 CA GLY 56 14.544 14.733 65.092 1.00 27.50 C ATOM 402 C GLY 56 15.394 15.900 64.711 1.00 27.50 C ATOM 403 O GLY 56 14.898 17.013 64.534 1.00 27.50 O ATOM 404 N GLU 57 16.715 15.664 64.593 1.00 52.85 N ATOM 405 CA GLU 57 17.650 16.686 64.215 1.00 52.85 C ATOM 406 CB GLU 57 19.022 16.483 64.872 1.00 52.85 C ATOM 407 CG GLU 57 18.934 16.490 66.400 1.00 52.85 C ATOM 408 CD GLU 57 20.269 16.027 66.957 1.00 52.85 C ATOM 409 OE1 GLU 57 21.253 15.987 66.173 1.00 52.85 O ATOM 410 OE2 GLU 57 20.322 15.706 68.176 1.00 52.85 O ATOM 411 C GLU 57 17.821 16.607 62.725 1.00 52.85 C ATOM 412 O GLU 57 17.665 15.542 62.130 1.00 52.85 O ATOM 413 N VAL 58 18.136 17.749 62.074 1.00 53.89 N ATOM 414 CA VAL 58 18.246 17.752 60.641 1.00 53.89 C ATOM 415 CB VAL 58 17.898 19.075 60.017 1.00 53.89 C ATOM 416 CG1 VAL 58 18.135 18.984 58.498 1.00 53.89 C ATOM 417 CG2 VAL 58 16.454 19.436 60.406 1.00 53.89 C ATOM 418 C VAL 58 19.653 17.432 60.248 1.00 53.89 C ATOM 419 O VAL 58 20.578 18.210 60.476 1.00 53.89 O ATOM 420 N ILE 59 19.827 16.212 59.713 1.00182.74 N ATOM 421 CA ILE 59 21.021 15.654 59.152 1.00182.74 C ATOM 422 CB ILE 59 20.927 14.170 59.041 1.00182.74 C ATOM 423 CG1 ILE 59 22.188 13.596 58.401 1.00182.74 C ATOM 424 CG2 ILE 59 19.627 13.813 58.323 1.00182.74 C ATOM 425 CD1 ILE 59 22.115 12.082 58.263 1.00182.74 C ATOM 426 C ILE 59 21.314 16.181 57.776 1.00182.74 C ATOM 427 O ILE 59 22.478 16.290 57.387 1.00182.74 O ATOM 428 N GLY 60 20.277 16.434 56.953 1.00 35.18 N ATOM 429 CA GLY 60 20.577 16.858 55.613 1.00 35.18 C ATOM 430 C GLY 60 19.375 17.501 55.002 1.00 35.18 C ATOM 431 O GLY 60 18.301 17.540 55.602 1.00 35.18 O ATOM 432 N ILE 61 19.551 18.038 53.776 1.00 93.93 N ATOM 433 CA ILE 61 18.470 18.659 53.064 1.00 93.93 C ATOM 434 CB ILE 61 18.767 20.064 52.609 1.00 93.93 C ATOM 435 CG1 ILE 61 17.503 20.715 52.019 1.00 93.93 C ATOM 436 CG2 ILE 61 19.985 20.038 51.671 1.00 93.93 C ATOM 437 CD1 ILE 61 17.626 22.224 51.806 1.00 93.93 C ATOM 438 C ILE 61 18.180 17.802 51.866 1.00 93.93 C ATOM 439 O ILE 61 19.056 17.540 51.044 1.00 93.93 O ATOM 440 N ASN 62 16.924 17.334 51.736 1.00 80.36 N ATOM 441 CA ASN 62 16.587 16.432 50.665 1.00 80.36 C ATOM 442 CB ASN 62 15.138 15.929 50.740 1.00 80.36 C ATOM 443 CG ASN 62 15.034 15.094 52.009 1.00 80.36 C ATOM 444 OD1 ASN 62 15.967 14.378 52.370 1.00 80.36 O ATOM 445 ND2 ASN 62 13.875 15.193 52.713 1.00 80.36 N ATOM 446 C ASN 62 16.795 17.118 49.345 1.00 80.36 C ATOM 447 O ASN 62 16.164 18.135 49.060 1.00 80.36 O ATOM 448 N THR 63 17.814 16.663 48.583 1.00101.77 N ATOM 449 CA THR 63 18.117 17.187 47.275 1.00101.77 C ATOM 450 CB THR 63 19.594 17.181 47.016 1.00101.77 C ATOM 451 OG1 THR 63 20.260 17.933 48.020 1.00101.77 O ATOM 452 CG2 THR 63 19.864 17.802 45.633 1.00101.77 C ATOM 453 C THR 63 17.447 16.527 46.096 1.00101.77 C ATOM 454 O THR 63 16.727 17.180 45.340 1.00101.77 O ATOM 455 N MET 64 17.632 15.191 45.914 1.00122.92 N ATOM 456 CA MET 64 17.166 14.619 44.675 1.00122.92 C ATOM 457 CB MET 64 18.023 15.058 43.477 1.00122.92 C ATOM 458 CG MET 64 19.443 14.494 43.542 1.00122.92 C ATOM 459 SD MET 64 20.541 15.000 42.185 1.00122.92 S ATOM 460 CE MET 64 20.914 16.636 42.879 1.00122.92 C ATOM 461 C MET 64 17.201 13.115 44.702 1.00122.92 C ATOM 462 O MET 64 17.846 12.491 45.544 1.00122.92 O ATOM 463 N LYS 65 16.492 12.495 43.730 1.00 75.57 N ATOM 464 CA LYS 65 16.419 11.066 43.615 1.00 75.57 C ATOM 465 CB LYS 65 15.002 10.595 43.247 1.00 75.57 C ATOM 466 CG LYS 65 14.784 9.082 43.274 1.00 75.57 C ATOM 467 CD LYS 65 13.302 8.718 43.141 1.00 75.57 C ATOM 468 CE LYS 65 12.992 7.225 43.248 1.00 75.57 C ATOM 469 NZ LYS 65 12.884 6.834 44.671 1.00 75.57 N ATOM 470 C LYS 65 17.307 10.676 42.479 1.00 75.57 C ATOM 471 O LYS 65 17.001 10.957 41.321 1.00 75.57 O ATOM 472 N VAL 66 18.455 10.043 42.787 1.00 45.92 N ATOM 473 CA VAL 66 19.361 9.639 41.755 1.00 45.92 C ATOM 474 CB VAL 66 20.644 9.103 42.304 1.00 45.92 C ATOM 475 CG1 VAL 66 21.543 8.684 41.129 1.00 45.92 C ATOM 476 CG2 VAL 66 21.243 10.166 43.235 1.00 45.92 C ATOM 477 C VAL 66 18.739 8.539 40.947 1.00 45.92 C ATOM 478 O VAL 66 18.617 8.644 39.727 1.00 45.92 O ATOM 479 N THR 67 18.312 7.456 41.628 1.00 47.38 N ATOM 480 CA THR 67 17.746 6.328 40.946 1.00 47.38 C ATOM 481 CB THR 67 18.807 5.398 40.417 1.00 47.38 C ATOM 482 OG1 THR 67 19.706 6.128 39.596 1.00 47.38 O ATOM 483 CG2 THR 67 18.163 4.286 39.568 1.00 47.38 C ATOM 484 C THR 67 16.914 5.607 41.960 1.00 47.38 C ATOM 485 O THR 67 16.901 5.980 43.133 1.00 47.38 O ATOM 486 N ALA 68 16.183 4.551 41.548 1.00 32.61 N ATOM 487 CA ALA 68 15.368 3.876 42.510 1.00 32.61 C ATOM 488 CB ALA 68 14.558 2.701 41.932 1.00 32.61 C ATOM 489 C ALA 68 16.261 3.335 43.580 1.00 32.61 C ATOM 490 O ALA 68 17.252 2.661 43.305 1.00 32.61 O ATOM 491 N GLY 69 15.916 3.638 44.846 1.00 23.92 N ATOM 492 CA GLY 69 16.641 3.143 45.981 1.00 23.92 C ATOM 493 C GLY 69 17.716 4.109 46.382 1.00 23.92 C ATOM 494 O GLY 69 18.279 3.983 47.470 1.00 23.92 O ATOM 495 N ILE 70 18.046 5.101 45.530 1.00 51.90 N ATOM 496 CA ILE 70 19.103 5.990 45.922 1.00 51.90 C ATOM 497 CB ILE 70 20.304 5.888 45.025 1.00 51.90 C ATOM 498 CG1 ILE 70 20.819 4.439 44.996 1.00 51.90 C ATOM 499 CG2 ILE 70 21.356 6.898 45.514 1.00 51.90 C ATOM 500 CD1 ILE 70 21.796 4.155 43.856 1.00 51.90 C ATOM 501 C ILE 70 18.615 7.408 45.839 1.00 51.90 C ATOM 502 O ILE 70 18.203 7.872 44.779 1.00 51.90 O ATOM 503 N SER 71 18.667 8.138 46.972 1.00 49.24 N ATOM 504 CA SER 71 18.278 9.524 47.000 1.00 49.24 C ATOM 505 CB SER 71 16.985 9.798 47.794 1.00 49.24 C ATOM 506 OG SER 71 15.862 9.244 47.123 1.00 49.24 O ATOM 507 C SER 71 19.388 10.259 47.688 1.00 49.24 C ATOM 508 O SER 71 20.060 9.693 48.548 1.00 49.24 O ATOM 509 N PHE 72 19.622 11.543 47.321 1.00142.79 N ATOM 510 CA PHE 72 20.694 12.276 47.944 1.00142.79 C ATOM 511 CB PHE 72 21.712 12.959 47.009 1.00142.79 C ATOM 512 CG PHE 72 22.579 11.961 46.332 1.00142.79 C ATOM 513 CD1 PHE 72 23.003 10.838 47.001 1.00142.79 C ATOM 514 CD2 PHE 72 22.937 12.137 45.017 1.00142.79 C ATOM 515 CE1 PHE 72 23.802 9.914 46.373 1.00142.79 C ATOM 516 CE2 PHE 72 23.739 11.217 44.387 1.00142.79 C ATOM 517 CZ PHE 72 24.178 10.106 45.065 1.00142.79 C ATOM 518 C PHE 72 20.168 13.423 48.750 1.00142.79 C ATOM 519 O PHE 72 19.107 13.980 48.468 1.00142.79 O ATOM 520 N ALA 73 20.932 13.796 49.802 1.00 41.48 N ATOM 521 CA ALA 73 20.612 14.933 50.614 1.00 41.48 C ATOM 522 CB ALA 73 19.870 14.579 51.914 1.00 41.48 C ATOM 523 C ALA 73 21.911 15.572 50.999 1.00 41.48 C ATOM 524 O ALA 73 22.915 14.895 51.209 1.00 41.48 O ATOM 525 N ILE 74 21.922 16.913 51.109 1.00 65.33 N ATOM 526 CA ILE 74 23.131 17.610 51.440 1.00 65.33 C ATOM 527 CB ILE 74 23.139 19.030 50.960 1.00 65.33 C ATOM 528 CG1 ILE 74 23.075 19.026 49.422 1.00 65.33 C ATOM 529 CG2 ILE 74 24.382 19.737 51.526 1.00 65.33 C ATOM 530 CD1 ILE 74 22.752 20.379 48.798 1.00 65.33 C ATOM 531 C ILE 74 23.318 17.558 52.924 1.00 65.33 C ATOM 532 O ILE 74 22.369 17.659 53.697 1.00 65.33 O ATOM 533 N PRO 75 24.541 17.365 53.334 1.00 65.48 N ATOM 534 CA PRO 75 24.824 17.225 54.738 1.00 65.48 C ATOM 535 CD PRO 75 25.495 16.643 52.512 1.00 65.48 C ATOM 536 CB PRO 75 26.262 16.722 54.821 1.00 65.48 C ATOM 537 CG PRO 75 26.447 15.950 53.502 1.00 65.48 C ATOM 538 C PRO 75 24.564 18.476 55.508 1.00 65.48 C ATOM 539 O PRO 75 24.757 19.569 54.978 1.00 65.48 O ATOM 540 N SER 76 24.121 18.326 56.770 1.00 61.43 N ATOM 541 CA SER 76 23.781 19.439 57.602 1.00 61.43 C ATOM 542 CB SER 76 22.670 19.096 58.609 1.00 61.43 C ATOM 543 OG SER 76 22.360 20.222 59.413 1.00 61.43 O ATOM 544 C SER 76 25.011 19.852 58.400 1.00 61.43 C ATOM 545 O SER 76 26.088 19.235 58.194 1.00 61.43 O ATOM 546 OXT SER 76 24.882 20.788 59.233 1.00 61.43 O