REMARK ID 128520 MODEL 1 2021-09-18_00000196_1_11 PFRMAT TS TARGET 2021-09-18_00000196_1_11 AUTHOR BAKER-ROBETTA METHOD ROSETTA provides both ab initio and METHOD comparative models of protein domains. METHOD Comparative models are built from structures METHOD detected and aligned by HHSEARCH, SPARKS, and METHOD Raptor. Loop regions are assembled from fragments and METHOD optimized to fit the aligned template structures. METHOD De novo models are built using the Rosetta de METHOD novo protocol. The procedure is fully automated. MODEL 1 PARENT N/A REMARK PARENT N/A REMARK PARSRC TrRefineRosetta REMARK SCORE 0.00 ATOM 1 N GLY A 1 -0.297 -2.535 -2.800 1.00 1.13 N ATOM 2 CA GLY A 1 0.978 -1.886 -2.520 1.00 1.13 C ATOM 3 C GLY A 1 0.800 -0.392 -2.295 1.00 1.13 C ATOM 4 O GLY A 1 -0.130 0.030 -1.605 1.00 1.13 O ATOM 5 H GLY A 1 -1.075 -2.325 -2.191 1.00 1.13 H ATOM 6 1HA GLY A 1 1.440 -2.337 -1.641 1.00 1.13 H ATOM 7 2HA GLY A 1 1.651 -2.052 -3.353 1.00 1.13 H ATOM 8 N PHE A 2 1.671 0.415 -2.900 1.00 1.06 N ATOM 9 CA PHE A 2 1.559 1.863 -2.719 1.00 1.06 C ATOM 10 C PHE A 2 1.304 2.562 -4.058 1.00 1.06 C ATOM 11 O PHE A 2 1.853 2.143 -5.067 1.00 1.06 O ATOM 12 CB PHE A 2 2.838 2.404 -2.076 1.00 1.06 C ATOM 13 CG PHE A 2 3.059 1.878 -0.699 1.00 1.06 C ATOM 14 CD1 PHE A 2 3.709 0.666 -0.502 1.00 1.06 C ATOM 15 CD2 PHE A 2 2.614 2.582 0.403 1.00 1.06 C ATOM 16 CE1 PHE A 2 3.910 0.175 0.772 1.00 1.06 C ATOM 17 CE2 PHE A 2 2.813 2.095 1.679 1.00 1.06 C ATOM 18 CZ PHE A 2 3.463 0.890 1.863 1.00 1.06 C ATOM 19 H PHE A 2 2.418 -0.004 -3.461 1.00 1.06 H ATOM 20 HA PHE A 2 0.749 2.040 -2.027 1.00 1.06 H ATOM 21 1HB PHE A 2 3.699 2.132 -2.690 1.00 1.06 H ATOM 22 2HB PHE A 2 2.798 3.492 -2.030 1.00 1.06 H ATOM 23 HD1 PHE A 2 4.062 0.102 -1.369 1.00 1.06 H ATOM 24 HD2 PHE A 2 2.099 3.532 0.255 1.00 1.06 H ATOM 25 HE1 PHE A 2 4.423 -0.777 0.915 1.00 1.06 H ATOM 26 HE2 PHE A 2 2.458 2.658 2.541 1.00 1.06 H ATOM 27 HZ PHE A 2 3.622 0.504 2.870 1.00 1.06 H ATOM 28 N PRO A 3 0.505 3.637 -4.120 1.00 0.99 N ATOM 29 CA PRO A 3 0.227 4.377 -5.341 1.00 0.99 C ATOM 30 C PRO A 3 1.514 4.813 -6.026 1.00 0.99 C ATOM 31 O PRO A 3 2.422 5.314 -5.362 1.00 0.99 O ATOM 32 CB PRO A 3 -0.544 5.594 -4.808 1.00 0.99 C ATOM 33 CG PRO A 3 -1.215 5.097 -3.554 1.00 0.99 C ATOM 34 CD PRO A 3 -0.218 4.140 -2.928 1.00 0.99 C ATOM 35 HA PRO A 3 -0.396 3.766 -6.005 1.00 0.99 H ATOM 36 1HB PRO A 3 0.149 6.429 -4.628 1.00 0.99 H ATOM 37 2HB PRO A 3 -1.266 5.933 -5.568 1.00 0.99 H ATOM 38 1HG PRO A 3 -1.464 5.945 -2.895 1.00 0.99 H ATOM 39 2HG PRO A 3 -2.167 4.613 -3.814 1.00 0.99 H ATOM 40 1HD PRO A 3 0.465 4.652 -2.236 1.00 0.99 H ATOM 41 2HD PRO A 3 -0.812 3.354 -2.443 1.00 0.99 H ATOM 42 N CYS A 4 1.578 4.687 -7.356 1.00 0.94 N ATOM 43 CA CYS A 4 2.791 5.112 -8.063 1.00 0.94 C ATOM 44 C CYS A 4 2.607 6.502 -8.673 1.00 0.94 C ATOM 45 O CYS A 4 3.546 7.087 -9.211 1.00 0.94 O ATOM 46 CB CYS A 4 3.191 4.128 -9.172 1.00 0.94 C ATOM 47 SG CYS A 4 2.233 4.245 -10.724 1.00 0.94 S ATOM 48 H CYS A 4 0.811 4.243 -7.853 1.00 0.94 H ATOM 49 HA CYS A 4 3.610 5.157 -7.346 1.00 0.94 H ATOM 50 1HB CYS A 4 4.242 4.272 -9.417 1.00 0.94 H ATOM 51 2HB CYS A 4 3.087 3.110 -8.794 1.00 0.94 H ATOM 52 N GLY A 5 1.377 7.018 -8.601 1.00 0.90 N ATOM 53 CA GLY A 5 0.999 8.337 -9.120 1.00 0.90 C ATOM 54 C GLY A 5 0.331 8.367 -10.509 1.00 0.90 C ATOM 55 O GLY A 5 -0.278 9.372 -10.874 1.00 0.90 O ATOM 56 H GLY A 5 0.670 6.458 -8.148 1.00 0.90 H ATOM 57 1HA GLY A 5 0.330 8.811 -8.402 1.00 0.90 H ATOM 58 2HA GLY A 5 1.890 8.960 -9.153 1.00 0.90 H ATOM 59 N GLU A 6 0.423 7.288 -11.274 1.00 0.89 N ATOM 60 CA GLU A 6 -0.201 7.237 -12.600 1.00 0.89 C ATOM 61 C GLU A 6 -1.620 6.643 -12.514 1.00 0.89 C ATOM 62 O GLU A 6 -1.841 5.614 -11.870 1.00 0.89 O ATOM 63 CB GLU A 6 0.684 6.442 -13.583 1.00 0.89 C ATOM 64 CG GLU A 6 0.163 6.399 -15.031 1.00 0.89 C ATOM 65 CD GLU A 6 1.041 5.618 -16.009 1.00 0.89 C ATOM 66 OE1 GLU A 6 2.091 5.159 -15.646 1.00 0.89 O ATOM 67 OE2 GLU A 6 0.649 5.457 -17.129 1.00 0.89 O ATOM 68 H GLU A 6 0.936 6.485 -10.932 1.00 0.89 H ATOM 69 HA GLU A 6 -0.289 8.254 -12.980 1.00 0.89 H ATOM 70 1HB GLU A 6 1.691 6.860 -13.589 1.00 0.89 H ATOM 71 2HB GLU A 6 0.764 5.410 -13.238 1.00 0.89 H ATOM 72 1HG GLU A 6 -0.816 5.930 -15.018 1.00 0.89 H ATOM 73 2HG GLU A 6 0.036 7.419 -15.391 1.00 0.89 H ATOM 74 N SER A 7 -2.600 7.310 -13.122 1.00 0.88 N ATOM 75 CA SER A 7 -3.954 6.757 -13.092 1.00 0.88 C ATOM 76 C SER A 7 -4.077 5.622 -14.111 1.00 0.88 C ATOM 77 O SER A 7 -3.345 5.595 -15.095 1.00 0.88 O ATOM 78 CB SER A 7 -4.972 7.854 -13.373 1.00 0.88 C ATOM 79 OG SER A 7 -4.871 8.329 -14.696 1.00 0.88 O ATOM 80 H SER A 7 -2.400 8.168 -13.616 1.00 0.88 H ATOM 81 HA SER A 7 -4.150 6.349 -12.099 1.00 0.88 H ATOM 82 1HB SER A 7 -5.965 7.471 -13.190 1.00 0.88 H ATOM 83 2HB SER A 7 -4.812 8.677 -12.679 1.00 0.88 H ATOM 84 HG SER A 7 -5.510 9.043 -14.769 1.00 0.88 H ATOM 85 N CYS A 8 -5.066 4.751 -13.930 1.00 0.88 N ATOM 86 CA CYS A 8 -5.347 3.659 -14.865 1.00 0.88 C ATOM 87 C CYS A 8 -6.754 3.790 -15.439 1.00 0.88 C ATOM 88 O CYS A 8 -7.440 2.795 -15.667 1.00 0.88 O ATOM 89 CB CYS A 8 -5.226 2.297 -14.179 1.00 0.88 C ATOM 90 SG CYS A 8 -3.569 1.925 -13.490 1.00 0.88 S ATOM 91 H CYS A 8 -5.640 4.850 -13.104 1.00 0.88 H ATOM 92 HA CYS A 8 -4.631 3.702 -15.684 1.00 0.88 H ATOM 93 1HB CYS A 8 -5.949 2.226 -13.371 1.00 0.88 H ATOM 94 2HB CYS A 8 -5.472 1.515 -14.899 1.00 0.88 H ATOM 95 N VAL A 9 -7.203 5.020 -15.641 1.00 0.88 N ATOM 96 CA VAL A 9 -8.559 5.258 -16.129 1.00 0.88 C ATOM 97 C VAL A 9 -8.790 4.806 -17.575 1.00 0.88 C ATOM 98 O VAL A 9 -9.828 4.212 -17.883 1.00 0.88 O ATOM 99 CB VAL A 9 -8.910 6.744 -15.993 1.00 0.88 C ATOM 100 CG1 VAL A 9 -10.251 7.018 -16.624 1.00 0.88 C ATOM 101 CG2 VAL A 9 -8.913 7.107 -14.523 1.00 0.88 C ATOM 102 H VAL A 9 -6.586 5.798 -15.443 1.00 0.88 H ATOM 103 HA VAL A 9 -9.234 4.697 -15.495 1.00 0.88 H ATOM 104 HB VAL A 9 -8.167 7.339 -16.523 1.00 0.88 H ATOM 105 1HG1 VAL A 9 -10.490 8.078 -16.537 1.00 0.88 H ATOM 106 2HG1 VAL A 9 -10.217 6.739 -17.662 1.00 0.88 H ATOM 107 3HG1 VAL A 9 -11.013 6.433 -16.121 1.00 0.88 H ATOM 108 1HG2 VAL A 9 -9.146 8.164 -14.406 1.00 0.88 H ATOM 109 2HG2 VAL A 9 -9.657 6.515 -14.005 1.00 0.88 H ATOM 110 3HG2 VAL A 9 -7.939 6.902 -14.104 1.00 0.88 H ATOM 111 N TYR A 10 -7.842 5.113 -18.461 1.00 0.90 N ATOM 112 CA TYR A 10 -7.963 4.759 -19.874 1.00 0.90 C ATOM 113 C TYR A 10 -6.810 3.865 -20.323 1.00 0.90 C ATOM 114 O TYR A 10 -5.780 4.352 -20.791 1.00 0.90 O ATOM 115 CB TYR A 10 -8.012 6.021 -20.738 1.00 0.90 C ATOM 116 CG TYR A 10 -9.178 6.932 -20.422 1.00 0.90 C ATOM 117 CD1 TYR A 10 -8.945 8.203 -19.912 1.00 0.90 C ATOM 118 CD2 TYR A 10 -10.476 6.497 -20.632 1.00 0.90 C ATOM 119 CE1 TYR A 10 -10.010 9.033 -19.616 1.00 0.90 C ATOM 120 CE2 TYR A 10 -11.539 7.324 -20.336 1.00 0.90 C ATOM 121 CZ TYR A 10 -11.311 8.588 -19.829 1.00 0.90 C ATOM 122 OH TYR A 10 -12.372 9.410 -19.530 1.00 0.90 O ATOM 123 H TYR A 10 -7.011 5.586 -18.140 1.00 0.90 H ATOM 124 HA TYR A 10 -8.887 4.199 -20.016 1.00 0.90 H ATOM 125 1HB TYR A 10 -7.091 6.588 -20.605 1.00 0.90 H ATOM 126 2HB TYR A 10 -8.075 5.739 -21.788 1.00 0.90 H ATOM 127 HD1 TYR A 10 -7.924 8.545 -19.745 1.00 0.90 H ATOM 128 HD2 TYR A 10 -10.656 5.498 -21.028 1.00 0.90 H ATOM 129 HE1 TYR A 10 -9.829 10.030 -19.216 1.00 0.90 H ATOM 130 HE2 TYR A 10 -12.559 6.978 -20.499 1.00 0.90 H ATOM 131 HH TYR A 10 -13.194 8.958 -19.735 1.00 0.90 H ATOM 132 N GLY A 11 -7.000 2.557 -20.186 1.00 0.92 N ATOM 133 CA GLY A 11 -5.952 1.583 -20.467 1.00 0.92 C ATOM 134 C GLY A 11 -5.114 1.382 -19.207 1.00 0.92 C ATOM 135 O GLY A 11 -5.331 2.086 -18.227 1.00 0.92 O ATOM 136 H GLY A 11 -7.889 2.238 -19.824 1.00 0.92 H ATOM 137 1HA GLY A 11 -6.404 0.643 -20.784 1.00 0.92 H ATOM 138 2HA GLY A 11 -5.329 1.952 -21.280 1.00 0.92 H ATOM 139 N PRO A 12 -4.174 0.434 -19.208 1.00 0.96 N ATOM 140 CA PRO A 12 -3.291 0.081 -18.111 1.00 0.96 C ATOM 141 C PRO A 12 -2.262 1.166 -17.928 1.00 0.96 C ATOM 142 O PRO A 12 -2.049 1.957 -18.835 1.00 0.96 O ATOM 143 CB PRO A 12 -2.649 -1.220 -18.600 1.00 0.96 C ATOM 144 CG PRO A 12 -2.662 -1.100 -20.105 1.00 0.96 C ATOM 145 CD PRO A 12 -3.951 -0.362 -20.430 1.00 0.96 C ATOM 146 HA PRO A 12 -3.878 -0.066 -17.192 1.00 0.96 H ATOM 147 1HB PRO A 12 -1.624 -1.295 -18.193 1.00 0.96 H ATOM 148 2HB PRO A 12 -3.211 -2.085 -18.222 1.00 0.96 H ATOM 149 1HG PRO A 12 -1.765 -0.553 -20.430 1.00 0.96 H ATOM 150 2HG PRO A 12 -2.609 -2.098 -20.567 1.00 0.96 H ATOM 151 1HD PRO A 12 -3.787 0.279 -21.299 1.00 0.96 H ATOM 152 2HD PRO A 12 -4.770 -1.078 -20.585 1.00 0.96 H ATOM 153 N CYS A 13 -1.614 1.214 -16.783 1.00 1.03 N ATOM 154 CA CYS A 13 -0.536 2.174 -16.627 1.00 1.03 C ATOM 155 C CYS A 13 0.550 1.862 -17.641 1.00 1.03 C ATOM 156 O CYS A 13 0.759 0.693 -17.983 1.00 1.03 O ATOM 157 CB CYS A 13 0.017 2.115 -15.207 1.00 1.03 C ATOM 158 SG CYS A 13 0.828 0.567 -14.751 1.00 1.03 S ATOM 159 H CYS A 13 -1.841 0.577 -16.032 1.00 1.03 H ATOM 160 HA CYS A 13 -0.921 3.177 -16.815 1.00 1.03 H ATOM 161 1HB CYS A 13 0.741 2.917 -15.072 1.00 1.03 H ATOM 162 2HB CYS A 13 -0.785 2.296 -14.501 1.00 1.03 H ATOM 163 HG CYS A 13 1.803 0.661 -15.655 1.00 1.03 H ATOM 164 N PHE A 14 1.268 2.892 -18.090 1.00 1.11 N ATOM 165 CA PHE A 14 2.319 2.689 -19.071 1.00 1.11 C ATOM 166 C PHE A 14 3.738 2.983 -18.573 1.00 1.11 C ATOM 167 O PHE A 14 4.703 2.548 -19.205 1.00 1.11 O ATOM 168 CB PHE A 14 2.006 3.530 -20.307 1.00 1.11 C ATOM 169 CG PHE A 14 0.658 3.172 -20.922 1.00 1.11 C ATOM 170 CD1 PHE A 14 -0.433 4.027 -20.791 1.00 1.11 C ATOM 171 CD2 PHE A 14 0.477 1.976 -21.604 1.00 1.11 C ATOM 172 CE1 PHE A 14 -1.668 3.696 -21.336 1.00 1.11 C ATOM 173 CE2 PHE A 14 -0.754 1.647 -22.147 1.00 1.11 C ATOM 174 CZ PHE A 14 -1.825 2.509 -22.012 1.00 1.11 C ATOM 175 H PHE A 14 1.055 3.838 -17.772 1.00 1.11 H ATOM 176 HA PHE A 14 2.294 1.643 -19.371 1.00 1.11 H ATOM 177 1HB PHE A 14 1.989 4.586 -20.032 1.00 1.11 H ATOM 178 2HB PHE A 14 2.780 3.390 -21.058 1.00 1.11 H ATOM 179 HD1 PHE A 14 -0.309 4.965 -20.246 1.00 1.11 H ATOM 180 HD2 PHE A 14 1.318 1.291 -21.707 1.00 1.11 H ATOM 181 HE1 PHE A 14 -2.519 4.372 -21.221 1.00 1.11 H ATOM 182 HE2 PHE A 14 -0.880 0.705 -22.676 1.00 1.11 H ATOM 183 HZ PHE A 14 -2.794 2.252 -22.431 1.00 1.11 H ATOM 184 N THR A 15 3.905 3.719 -17.468 1.00 1.20 N ATOM 185 CA THR A 15 5.267 4.014 -17.031 1.00 1.20 C ATOM 186 C THR A 15 5.995 2.714 -16.734 1.00 1.20 C ATOM 187 O THR A 15 5.499 1.879 -15.975 1.00 1.20 O ATOM 188 CB THR A 15 5.298 4.900 -15.769 1.00 1.20 C ATOM 189 OG1 THR A 15 4.611 6.122 -16.028 1.00 1.20 O ATOM 190 CG2 THR A 15 6.738 5.196 -15.358 1.00 1.20 C ATOM 191 H THR A 15 3.118 4.097 -16.928 1.00 1.20 H ATOM 192 HA THR A 15 5.793 4.528 -17.834 1.00 1.20 H ATOM 193 HB THR A 15 4.791 4.382 -14.953 1.00 1.20 H ATOM 194 HG1 THR A 15 3.648 5.928 -16.016 1.00 1.20 H ATOM 195 1HG2 THR A 15 6.736 5.821 -14.467 1.00 1.20 H ATOM 196 2HG2 THR A 15 7.259 4.270 -15.144 1.00 1.20 H ATOM 197 3HG2 THR A 15 7.246 5.717 -16.166 1.00 1.20 H ATOM 198 N ALA A 16 7.204 2.548 -17.267 1.00 1.28 N ATOM 199 CA ALA A 16 7.963 1.318 -17.032 1.00 1.28 C ATOM 200 C ALA A 16 8.629 1.328 -15.659 1.00 1.28 C ATOM 201 O ALA A 16 9.855 1.351 -15.542 1.00 1.28 O ATOM 202 CB ALA A 16 9.016 1.142 -18.111 1.00 1.28 C ATOM 203 H ALA A 16 7.580 3.264 -17.870 1.00 1.28 H ATOM 204 HA ALA A 16 7.268 0.479 -17.066 1.00 1.28 H ATOM 205 1HB ALA A 16 9.558 0.212 -17.941 1.00 1.28 H ATOM 206 2HB ALA A 16 8.533 1.108 -19.089 1.00 1.28 H ATOM 207 3HB ALA A 16 9.711 1.978 -18.078 1.00 1.28 H ATOM 208 N ALA A 17 7.801 1.327 -14.626 1.00 1.32 N ATOM 209 CA ALA A 17 8.254 1.369 -13.249 1.00 1.32 C ATOM 210 C ALA A 17 8.330 -0.039 -12.677 1.00 1.32 C ATOM 211 O ALA A 17 7.455 -0.886 -12.904 1.00 1.32 O ATOM 212 CB ALA A 17 7.332 2.256 -12.435 1.00 1.32 C ATOM 213 H ALA A 17 6.808 1.308 -14.841 1.00 1.32 H ATOM 214 HA ALA A 17 9.257 1.791 -13.225 1.00 1.32 H ATOM 215 1HB ALA A 17 7.680 2.297 -11.405 1.00 1.32 H ATOM 216 2HB ALA A 17 7.324 3.257 -12.857 1.00 1.32 H ATOM 217 3HB ALA A 17 6.335 1.849 -12.470 1.00 1.32 H ATOM 218 N ILE A 18 9.365 -0.283 -11.896 1.00 1.32 N ATOM 219 CA ILE A 18 9.557 -1.594 -11.311 1.00 1.32 C ATOM 220 C ILE A 18 8.503 -1.901 -10.270 1.00 1.32 C ATOM 221 O ILE A 18 8.230 -1.089 -9.388 1.00 1.32 O ATOM 222 CB ILE A 18 10.958 -1.698 -10.684 1.00 1.32 C ATOM 223 CG1 ILE A 18 12.019 -1.570 -11.779 1.00 1.32 C ATOM 224 CG2 ILE A 18 11.114 -3.013 -9.933 1.00 1.32 C ATOM 225 CD1 ILE A 18 13.422 -1.423 -11.243 1.00 1.32 C ATOM 226 H ILE A 18 10.048 0.443 -11.732 1.00 1.32 H ATOM 227 HA ILE A 18 9.482 -2.337 -12.105 1.00 1.32 H ATOM 228 HB ILE A 18 11.104 -0.873 -9.990 1.00 1.32 H ATOM 229 1HG1 ILE A 18 11.981 -2.458 -12.410 1.00 1.32 H ATOM 230 2HG1 ILE A 18 11.791 -0.699 -12.394 1.00 1.32 H ATOM 231 1HG2 ILE A 18 12.108 -3.064 -9.493 1.00 1.32 H ATOM 232 2HG2 ILE A 18 10.370 -3.075 -9.142 1.00 1.32 H ATOM 233 3HG2 ILE A 18 10.980 -3.845 -10.623 1.00 1.32 H ATOM 234 1HD1 ILE A 18 14.122 -1.338 -12.074 1.00 1.32 H ATOM 235 2HD1 ILE A 18 13.483 -0.526 -10.625 1.00 1.32 H ATOM 236 3HD1 ILE A 18 13.677 -2.295 -10.643 1.00 1.32 H ATOM 237 N GLY A 19 7.879 -3.068 -10.400 1.00 1.27 N ATOM 238 CA GLY A 19 6.867 -3.504 -9.449 1.00 1.27 C ATOM 239 C GLY A 19 5.484 -2.910 -9.691 1.00 1.27 C ATOM 240 O GLY A 19 4.584 -3.115 -8.878 1.00 1.27 O ATOM 241 H GLY A 19 8.129 -3.674 -11.167 1.00 1.27 H ATOM 242 1HA GLY A 19 6.799 -4.592 -9.476 1.00 1.27 H ATOM 243 2HA GLY A 19 7.194 -3.248 -8.441 1.00 1.27 H ATOM 244 N CYS A 20 5.286 -2.145 -10.769 1.00 1.19 N ATOM 245 CA CYS A 20 3.966 -1.540 -10.914 1.00 1.19 C ATOM 246 C CYS A 20 2.954 -2.249 -11.808 1.00 1.19 C ATOM 247 O CYS A 20 3.276 -2.795 -12.868 1.00 1.19 O ATOM 248 CB CYS A 20 4.105 -0.098 -11.360 1.00 1.19 C ATOM 249 SG CYS A 20 4.935 0.923 -10.113 1.00 1.19 S ATOM 250 H CYS A 20 6.030 -1.947 -11.445 1.00 1.19 H ATOM 251 HA CYS A 20 3.539 -1.500 -9.927 1.00 1.19 H ATOM 252 1HB CYS A 20 4.681 -0.051 -12.285 1.00 1.19 H ATOM 253 2HB CYS A 20 3.116 0.326 -11.553 1.00 1.19 H ATOM 254 HG CYS A 20 6.096 0.258 -10.134 1.00 1.19 H ATOM 255 N SER A 21 1.700 -2.173 -11.357 1.00 1.10 N ATOM 256 CA SER A 21 0.513 -2.663 -12.059 1.00 1.10 C ATOM 257 C SER A 21 -0.717 -1.867 -11.623 1.00 1.10 C ATOM 258 O SER A 21 -0.585 -0.869 -10.923 1.00 1.10 O ATOM 259 CB SER A 21 0.292 -4.146 -11.804 1.00 1.10 C ATOM 260 OG SER A 21 -0.696 -4.639 -12.679 1.00 1.10 O ATOM 261 H SER A 21 1.579 -1.738 -10.440 1.00 1.10 H ATOM 262 HA SER A 21 0.653 -2.511 -13.130 1.00 1.10 H ATOM 263 1HB SER A 21 1.226 -4.687 -11.953 1.00 1.10 H ATOM 264 2HB SER A 21 -0.020 -4.297 -10.771 1.00 1.10 H ATOM 265 HG SER A 21 -0.768 -5.580 -12.493 1.00 1.10 H ATOM 266 N CYS A 22 -1.903 -2.293 -12.051 1.00 1.01 N ATOM 267 CA CYS A 22 -3.143 -1.584 -11.690 1.00 1.01 C ATOM 268 C CYS A 22 -4.055 -2.433 -10.816 1.00 1.01 C ATOM 269 O CYS A 22 -4.097 -3.654 -10.963 1.00 1.01 O ATOM 270 CB CYS A 22 -3.939 -1.174 -12.936 1.00 1.01 C ATOM 271 SG CYS A 22 -3.081 -0.020 -14.076 1.00 1.01 S ATOM 272 H CYS A 22 -1.908 -3.146 -12.601 1.00 1.01 H ATOM 273 HA CYS A 22 -2.891 -0.689 -11.132 1.00 1.01 H ATOM 274 1HB CYS A 22 -4.210 -2.064 -13.499 1.00 1.01 H ATOM 275 2HB CYS A 22 -4.874 -0.697 -12.617 1.00 1.01 H ATOM 276 N LYS A 23 -4.838 -1.784 -9.951 1.00 0.94 N ATOM 277 CA LYS A 23 -5.854 -2.525 -9.187 1.00 0.94 C ATOM 278 C LYS A 23 -7.265 -2.159 -9.646 1.00 0.94 C ATOM 279 O LYS A 23 -8.157 -3.007 -9.677 1.00 0.94 O ATOM 280 CB LYS A 23 -5.710 -2.301 -7.680 1.00 0.94 C ATOM 281 CG LYS A 23 -4.431 -2.875 -7.079 1.00 0.94 C ATOM 282 CD LYS A 23 -4.388 -2.674 -5.571 1.00 0.94 C ATOM 283 CE LYS A 23 -3.086 -3.183 -4.980 1.00 0.94 C ATOM 284 NZ LYS A 23 -2.944 -4.660 -5.136 1.00 0.94 N ATOM 285 H LYS A 23 -4.718 -0.774 -9.837 1.00 0.94 H ATOM 286 HA LYS A 23 -5.721 -3.590 -9.375 1.00 0.94 H ATOM 287 1HB LYS A 23 -5.734 -1.235 -7.468 1.00 0.94 H ATOM 288 2HB LYS A 23 -6.556 -2.753 -7.165 1.00 0.94 H ATOM 289 1HG LYS A 23 -4.382 -3.942 -7.297 1.00 0.94 H ATOM 290 2HG LYS A 23 -3.565 -2.396 -7.532 1.00 0.94 H ATOM 291 1HD LYS A 23 -4.499 -1.620 -5.330 1.00 0.94 H ATOM 292 2HD LYS A 23 -5.214 -3.216 -5.113 1.00 0.94 H ATOM 293 1HE LYS A 23 -2.253 -2.694 -5.478 1.00 0.94 H ATOM 294 2HE LYS A 23 -3.056 -2.934 -3.921 1.00 0.94 H ATOM 295 1HZ LYS A 23 -2.068 -4.958 -4.731 1.00 0.94 H ATOM 296 2HZ LYS A 23 -3.707 -5.124 -4.665 1.00 0.94 H ATOM 297 3HZ LYS A 23 -2.959 -4.897 -6.118 1.00 0.94 H ATOM 298 N SER A 24 -7.465 -0.892 -9.986 1.00 0.89 N ATOM 299 CA SER A 24 -8.760 -0.406 -10.450 1.00 0.89 C ATOM 300 C SER A 24 -8.516 0.769 -11.412 1.00 0.89 C ATOM 301 O SER A 24 -8.258 0.570 -12.597 1.00 0.89 O ATOM 302 CB SER A 24 -9.687 -0.048 -9.275 1.00 0.89 C ATOM 303 OG SER A 24 -9.181 1.007 -8.512 1.00 0.89 O ATOM 304 H SER A 24 -6.691 -0.252 -9.935 1.00 0.89 H ATOM 305 HA SER A 24 -9.248 -1.201 -11.017 1.00 0.89 H ATOM 306 1HB SER A 24 -10.672 0.219 -9.660 1.00 0.89 H ATOM 307 2HB SER A 24 -9.814 -0.927 -8.643 1.00 0.89 H ATOM 308 HG SER A 24 -9.723 1.032 -7.713 1.00 0.89 H ATOM 309 N LYS A 25 -8.589 1.992 -10.882 1.00 0.85 N ATOM 310 CA LYS A 25 -8.356 3.219 -11.643 1.00 0.85 C ATOM 311 C LYS A 25 -7.030 3.875 -11.250 1.00 0.85 C ATOM 312 O LYS A 25 -6.719 4.981 -11.692 1.00 0.85 O ATOM 313 CB LYS A 25 -9.522 4.187 -11.430 1.00 0.85 C ATOM 314 CG LYS A 25 -10.884 3.627 -11.875 1.00 0.85 C ATOM 315 CD LYS A 25 -10.933 3.417 -13.387 1.00 0.85 C ATOM 316 CE LYS A 25 -12.281 2.877 -13.849 1.00 0.85 C ATOM 317 NZ LYS A 25 -12.325 2.687 -15.332 1.00 0.85 N ATOM 318 H LYS A 25 -8.811 2.050 -9.901 1.00 0.85 H ATOM 319 HA LYS A 25 -8.304 2.966 -12.703 1.00 0.85 H ATOM 320 1HB LYS A 25 -9.588 4.449 -10.374 1.00 0.85 H ATOM 321 2HB LYS A 25 -9.335 5.102 -11.986 1.00 0.85 H ATOM 322 1HG LYS A 25 -11.068 2.674 -11.377 1.00 0.85 H ATOM 323 2HG LYS A 25 -11.671 4.323 -11.589 1.00 0.85 H ATOM 324 1HD LYS A 25 -10.781 4.372 -13.869 1.00 0.85 H ATOM 325 2HD LYS A 25 -10.135 2.736 -13.703 1.00 0.85 H ATOM 326 1HE LYS A 25 -12.456 1.916 -13.367 1.00 0.85 H ATOM 327 2HE LYS A 25 -13.070 3.569 -13.557 1.00 0.85 H ATOM 328 1HZ LYS A 25 -13.225 2.322 -15.605 1.00 0.85 H ATOM 329 2HZ LYS A 25 -12.175 3.583 -15.783 1.00 0.85 H ATOM 330 3HZ LYS A 25 -11.597 2.040 -15.615 1.00 0.85 H ATOM 331 N VAL A 26 -6.274 3.200 -10.386 1.00 0.83 N ATOM 332 CA VAL A 26 -4.988 3.667 -9.849 1.00 0.83 C ATOM 333 C VAL A 26 -3.870 2.613 -9.924 1.00 0.83 C ATOM 334 O VAL A 26 -4.096 1.434 -9.601 1.00 0.83 O ATOM 335 CB VAL A 26 -5.170 4.117 -8.372 1.00 0.83 C ATOM 336 CG1 VAL A 26 -3.825 4.536 -7.758 1.00 0.83 C ATOM 337 CG2 VAL A 26 -6.148 5.283 -8.307 1.00 0.83 C ATOM 338 H VAL A 26 -6.616 2.304 -10.086 1.00 0.83 H ATOM 339 HA VAL A 26 -4.667 4.531 -10.433 1.00 0.83 H ATOM 340 HB VAL A 26 -5.558 3.291 -7.790 1.00 0.83 H ATOM 341 1HG1 VAL A 26 -3.975 4.841 -6.723 1.00 0.83 H ATOM 342 2HG1 VAL A 26 -3.144 3.704 -7.779 1.00 0.83 H ATOM 343 3HG1 VAL A 26 -3.402 5.365 -8.324 1.00 0.83 H ATOM 344 1HG2 VAL A 26 -6.272 5.588 -7.268 1.00 0.83 H ATOM 345 2HG2 VAL A 26 -5.751 6.117 -8.889 1.00 0.83 H ATOM 346 3HG2 VAL A 26 -7.112 4.991 -8.706 1.00 0.83 H ATOM 347 N CYS A 27 -2.672 3.029 -10.370 1.00 0.83 N ATOM 348 CA CYS A 27 -1.512 2.138 -10.362 1.00 0.83 C ATOM 349 C CYS A 27 -0.933 1.974 -8.960 1.00 0.83 C ATOM 350 O CYS A 27 -0.874 2.940 -8.192 1.00 0.83 O ATOM 351 CB CYS A 27 -0.387 2.723 -11.156 1.00 0.83 C ATOM 352 SG CYS A 27 0.266 4.113 -10.261 1.00 0.83 S ATOM 353 H CYS A 27 -2.541 3.984 -10.715 1.00 0.83 H ATOM 354 HA CYS A 27 -1.806 1.181 -10.765 1.00 0.83 H ATOM 355 1HB CYS A 27 0.400 1.983 -11.308 1.00 0.83 H ATOM 356 2HB CYS A 27 -0.744 3.067 -12.131 1.00 0.83 H ATOM 357 N TYR A 28 -0.378 0.800 -8.680 1.00 0.84 N ATOM 358 CA TYR A 28 0.316 0.528 -7.418 1.00 0.84 C ATOM 359 C TYR A 28 1.651 -0.193 -7.602 1.00 0.84 C ATOM 360 O TYR A 28 1.794 -1.024 -8.500 1.00 0.84 O ATOM 361 CB TYR A 28 -0.581 -0.290 -6.477 1.00 0.84 C ATOM 362 CG TYR A 28 -1.831 0.448 -6.031 1.00 0.84 C ATOM 363 CD1 TYR A 28 -2.968 0.452 -6.811 1.00 0.84 C ATOM 364 CD2 TYR A 28 -1.836 1.106 -4.826 1.00 0.84 C ATOM 365 CE1 TYR A 28 -4.091 1.124 -6.391 1.00 0.84 C ATOM 366 CE2 TYR A 28 -2.952 1.777 -4.403 1.00 0.84 C ATOM 367 CZ TYR A 28 -4.079 1.794 -5.182 1.00 0.84 C ATOM 368 OH TYR A 28 -5.202 2.470 -4.754 1.00 0.84 O ATOM 369 H TYR A 28 -0.458 0.074 -9.382 1.00 0.84 H ATOM 370 HA TYR A 28 0.526 1.484 -6.948 1.00 0.84 H ATOM 371 1HB TYR A 28 -0.884 -1.211 -6.973 1.00 0.84 H ATOM 372 2HB TYR A 28 -0.010 -0.564 -5.586 1.00 0.84 H ATOM 373 HD1 TYR A 28 -2.974 -0.073 -7.767 1.00 0.84 H ATOM 374 HD2 TYR A 28 -0.954 1.087 -4.209 1.00 0.84 H ATOM 375 HE1 TYR A 28 -4.982 1.129 -7.013 1.00 0.84 H ATOM 376 HE2 TYR A 28 -2.945 2.296 -3.447 1.00 0.84 H ATOM 377 HH TYR A 28 -5.908 2.357 -5.396 1.00 0.84 H ATOM 378 N LYS A 29 2.612 0.107 -6.721 1.00 0.86 N ATOM 379 CA LYS A 29 3.912 -0.565 -6.676 1.00 0.86 C ATOM 380 C LYS A 29 3.942 -1.646 -5.607 1.00 0.86 C ATOM 381 O LYS A 29 3.649 -1.368 -4.435 1.00 0.86 O ATOM 382 CB LYS A 29 5.049 0.419 -6.383 1.00 0.86 C ATOM 383 CG LYS A 29 6.430 -0.223 -6.415 1.00 0.86 C ATOM 384 CD LYS A 29 7.537 0.793 -6.174 1.00 0.86 C ATOM 385 CE LYS A 29 8.904 0.117 -6.166 1.00 0.86 C ATOM 386 NZ LYS A 29 10.000 1.086 -5.925 1.00 0.86 N ATOM 387 H LYS A 29 2.420 0.828 -6.042 1.00 0.86 H ATOM 388 HA LYS A 29 4.096 -1.036 -7.635 1.00 0.86 H ATOM 389 1HB LYS A 29 5.029 1.229 -7.107 1.00 0.86 H ATOM 390 2HB LYS A 29 4.901 0.860 -5.397 1.00 0.86 H ATOM 391 1HG LYS A 29 6.491 -1.005 -5.658 1.00 0.86 H ATOM 392 2HG LYS A 29 6.580 -0.686 -7.394 1.00 0.86 H ATOM 393 1HD LYS A 29 7.519 1.538 -6.971 1.00 0.86 H ATOM 394 2HD LYS A 29 7.375 1.293 -5.222 1.00 0.86 H ATOM 395 1HE LYS A 29 8.921 -0.640 -5.384 1.00 0.86 H ATOM 396 2HE LYS A 29 9.069 -0.366 -7.126 1.00 0.86 H ATOM 397 1HZ LYS A 29 10.882 0.595 -5.932 1.00 0.86 H ATOM 398 2HZ LYS A 29 9.997 1.782 -6.656 1.00 0.86 H ATOM 399 3HZ LYS A 29 9.869 1.533 -5.031 1.00 0.86 H ATOM 400 N ASN A 30 4.309 -2.863 -6.004 1.00 0.88 N ATOM 401 CA ASN A 30 4.393 -3.984 -5.079 1.00 0.88 C ATOM 402 C ASN A 30 5.478 -4.955 -5.544 1.00 0.88 C ATOM 403 O ASN A 30 6.667 -4.684 -5.367 1.00 0.88 O ATOM 404 OXT ASN A 30 5.177 -5.862 -6.318 1.00 0.88 O ATOM 405 CB ASN A 30 3.042 -4.678 -4.954 1.00 0.88 C ATOM 406 CG ASN A 30 2.996 -5.731 -3.859 1.00 0.88 C ATOM 407 OD1 ASN A 30 3.753 -6.707 -3.875 1.00 0.88 O ATOM 408 ND2 ASN A 30 2.110 -5.548 -2.908 1.00 0.88 N ATOM 409 H ASN A 30 4.513 -3.015 -6.993 1.00 0.88 H ATOM 410 HA ASN A 30 4.690 -3.611 -4.098 1.00 0.88 H ATOM 411 1HB ASN A 30 2.270 -3.934 -4.757 1.00 0.88 H ATOM 412 2HB ASN A 30 2.795 -5.151 -5.903 1.00 0.88 H ATOM 413 1HD2 ASN A 30 2.033 -6.210 -2.162 1.00 0.88 H ATOM 414 2HD2 ASN A 30 1.508 -4.746 -2.929 1.00 0.88 H TER 415 ENDMDL REMARK ID 128520 MODEL 2 2021-09-18_00000196_1_11 PFRMAT TS TARGET 2021-09-18_00000196_1_11 AUTHOR BAKER-ROBETTA METHOD ROSETTA provides both ab initio and METHOD comparative models of protein domains. METHOD Comparative models are built from structures METHOD detected and aligned by HHSEARCH, SPARKS, and METHOD Raptor. Loop regions are assembled from fragments and METHOD optimized to fit the aligned template structures. METHOD De novo models are built using the Rosetta de METHOD novo protocol. The procedure is fully automated. MODEL 2 PARENT N/A REMARK PARENT N/A REMARK PARSRC TrRefineRosetta REMARK SCORE 0.00 ATOM 1 N GLY A 1 0.995 1.657 -3.694 1.00 1.23 N ATOM 2 CA GLY A 1 1.634 2.525 -2.719 1.00 1.23 C ATOM 3 C GLY A 1 2.235 3.784 -3.318 1.00 1.23 C ATOM 4 O GLY A 1 1.551 4.530 -4.028 1.00 1.23 O ATOM 5 H GLY A 1 1.190 0.665 -3.530 1.00 1.23 H ATOM 6 1HA GLY A 1 0.906 2.802 -1.958 1.00 1.23 H ATOM 7 2HA GLY A 1 2.405 1.961 -2.206 1.00 1.23 H ATOM 8 N PHE A 2 3.509 4.031 -3.014 1.00 1.15 N ATOM 9 CA PHE A 2 4.140 5.284 -3.426 1.00 1.15 C ATOM 10 C PHE A 2 5.225 5.056 -4.485 1.00 1.15 C ATOM 11 O PHE A 2 5.902 4.040 -4.442 1.00 1.15 O ATOM 12 CB PHE A 2 4.738 5.959 -2.191 1.00 1.15 C ATOM 13 CG PHE A 2 3.694 6.346 -1.201 1.00 1.15 C ATOM 14 CD1 PHE A 2 3.255 5.428 -0.255 1.00 1.15 C ATOM 15 CD2 PHE A 2 3.136 7.610 -1.211 1.00 1.15 C ATOM 16 CE1 PHE A 2 2.282 5.770 0.662 1.00 1.15 C ATOM 17 CE2 PHE A 2 2.161 7.957 -0.295 1.00 1.15 C ATOM 18 CZ PHE A 2 1.735 7.034 0.643 1.00 1.15 C ATOM 19 H PHE A 2 4.018 3.329 -2.469 1.00 1.15 H ATOM 20 HA PHE A 2 3.353 5.919 -3.802 1.00 1.15 H ATOM 21 1HB PHE A 2 5.439 5.279 -1.705 1.00 1.15 H ATOM 22 2HB PHE A 2 5.291 6.851 -2.479 1.00 1.15 H ATOM 23 HD1 PHE A 2 3.689 4.425 -0.243 1.00 1.15 H ATOM 24 HD2 PHE A 2 3.473 8.335 -1.953 1.00 1.15 H ATOM 25 HE1 PHE A 2 1.946 5.041 1.400 1.00 1.15 H ATOM 26 HE2 PHE A 2 1.728 8.956 -0.309 1.00 1.15 H ATOM 27 HZ PHE A 2 0.967 7.307 1.366 1.00 1.15 H ATOM 28 N PRO A 3 5.454 5.987 -5.427 1.00 1.07 N ATOM 29 CA PRO A 3 6.452 5.881 -6.486 1.00 1.07 C ATOM 30 C PRO A 3 7.859 5.588 -5.975 1.00 1.07 C ATOM 31 O PRO A 3 8.298 6.200 -5.000 1.00 1.07 O ATOM 32 CB PRO A 3 6.407 7.293 -7.101 1.00 1.07 C ATOM 33 CG PRO A 3 5.005 7.777 -6.848 1.00 1.07 C ATOM 34 CD PRO A 3 4.641 7.233 -5.488 1.00 1.07 C ATOM 35 HA PRO A 3 6.127 5.128 -7.213 1.00 1.07 H ATOM 36 1HB PRO A 3 7.172 7.928 -6.632 1.00 1.07 H ATOM 37 2HB PRO A 3 6.649 7.238 -8.172 1.00 1.07 H ATOM 38 1HG PRO A 3 4.970 8.878 -6.891 1.00 1.07 H ATOM 39 2HG PRO A 3 4.337 7.410 -7.642 1.00 1.07 H ATOM 40 1HD PRO A 3 4.914 7.932 -4.684 1.00 1.07 H ATOM 41 2HD PRO A 3 3.566 7.030 -5.532 1.00 1.07 H ATOM 42 N CYS A 4 8.600 4.708 -6.673 1.00 1.00 N ATOM 43 CA CYS A 4 9.976 4.429 -6.247 1.00 1.00 C ATOM 44 C CYS A 4 10.958 5.190 -7.140 1.00 1.00 C ATOM 45 O CYS A 4 12.166 5.192 -6.896 1.00 1.00 O ATOM 46 CB CYS A 4 10.318 2.935 -6.297 1.00 1.00 C ATOM 47 SG CYS A 4 10.758 2.297 -7.947 1.00 1.00 S ATOM 48 H CYS A 4 8.184 4.209 -7.453 1.00 1.00 H ATOM 49 HA CYS A 4 10.100 4.772 -5.220 1.00 1.00 H ATOM 50 1HB CYS A 4 11.153 2.733 -5.625 1.00 1.00 H ATOM 51 2HB CYS A 4 9.463 2.362 -5.934 1.00 1.00 H ATOM 52 N GLY A 5 10.424 5.821 -8.191 1.00 0.94 N ATOM 53 CA GLY A 5 11.179 6.630 -9.161 1.00 0.94 C ATOM 54 C GLY A 5 11.563 5.962 -10.497 1.00 0.94 C ATOM 55 O GLY A 5 11.889 6.661 -11.457 1.00 0.94 O ATOM 56 H GLY A 5 9.424 5.749 -8.307 1.00 0.94 H ATOM 57 1HA GLY A 5 10.601 7.528 -9.377 1.00 0.94 H ATOM 58 2HA GLY A 5 12.090 6.977 -8.676 1.00 0.94 H ATOM 59 N GLU A 6 11.512 4.640 -10.581 1.00 0.90 N ATOM 60 CA GLU A 6 11.853 3.938 -11.826 1.00 0.90 C ATOM 61 C GLU A 6 10.608 3.720 -12.713 1.00 0.90 C ATOM 62 O GLU A 6 9.546 3.333 -12.220 1.00 0.90 O ATOM 63 CB GLU A 6 12.557 2.606 -11.493 1.00 0.90 C ATOM 64 CG GLU A 6 13.044 1.797 -12.697 1.00 0.90 C ATOM 65 CD GLU A 6 13.750 0.500 -12.326 1.00 0.90 C ATOM 66 OE1 GLU A 6 13.960 0.242 -11.167 1.00 0.90 O ATOM 67 OE2 GLU A 6 14.069 -0.255 -13.194 1.00 0.90 O ATOM 68 H GLU A 6 11.246 4.109 -9.763 1.00 0.90 H ATOM 69 HA GLU A 6 12.555 4.554 -12.388 1.00 0.90 H ATOM 70 1HB GLU A 6 13.413 2.801 -10.847 1.00 0.90 H ATOM 71 2HB GLU A 6 11.870 1.969 -10.933 1.00 0.90 H ATOM 72 1HG GLU A 6 12.182 1.546 -13.308 1.00 0.90 H ATOM 73 2HG GLU A 6 13.709 2.415 -13.297 1.00 0.90 H ATOM 74 N SER A 7 10.705 4.013 -14.013 1.00 0.88 N ATOM 75 CA SER A 7 9.552 3.758 -14.886 1.00 0.88 C ATOM 76 C SER A 7 9.515 2.273 -15.258 1.00 0.88 C ATOM 77 O SER A 7 10.556 1.623 -15.266 1.00 0.88 O ATOM 78 CB SER A 7 9.634 4.628 -16.134 1.00 0.88 C ATOM 79 OG SER A 7 10.718 4.255 -16.951 1.00 0.88 O ATOM 80 H SER A 7 11.571 4.369 -14.391 1.00 0.88 H ATOM 81 HA SER A 7 8.637 4.004 -14.348 1.00 0.88 H ATOM 82 1HB SER A 7 8.707 4.546 -16.683 1.00 0.88 H ATOM 83 2HB SER A 7 9.742 5.668 -15.839 1.00 0.88 H ATOM 84 HG SER A 7 10.738 4.890 -17.674 1.00 0.88 H ATOM 85 N CYS A 8 8.350 1.762 -15.659 1.00 0.86 N ATOM 86 CA CYS A 8 8.216 0.375 -16.104 1.00 0.86 C ATOM 87 C CYS A 8 7.688 0.319 -17.535 1.00 0.86 C ATOM 88 O CYS A 8 6.902 -0.557 -17.890 1.00 0.86 O ATOM 89 CB CYS A 8 7.261 -0.404 -15.194 1.00 0.86 C ATOM 90 SG CYS A 8 7.772 -0.482 -13.430 1.00 0.86 S ATOM 91 H CYS A 8 7.522 2.347 -15.650 1.00 0.86 H ATOM 92 HA CYS A 8 9.197 -0.102 -16.073 1.00 0.86 H ATOM 93 1HB CYS A 8 6.270 0.044 -15.238 1.00 0.86 H ATOM 94 2HB CYS A 8 7.173 -1.427 -15.562 1.00 0.86 H ATOM 95 N VAL A 9 8.096 1.278 -18.356 1.00 0.86 N ATOM 96 CA VAL A 9 7.560 1.390 -19.712 1.00 0.86 C ATOM 97 C VAL A 9 7.906 0.248 -20.660 1.00 0.86 C ATOM 98 O VAL A 9 7.043 -0.216 -21.409 1.00 0.86 O ATOM 99 CB VAL A 9 8.018 2.705 -20.358 1.00 0.86 C ATOM 100 CG1 VAL A 9 7.591 2.743 -21.813 1.00 0.86 C ATOM 101 CG2 VAL A 9 7.420 3.852 -19.590 1.00 0.86 C ATOM 102 H VAL A 9 8.768 1.950 -18.014 1.00 0.86 H ATOM 103 HA VAL A 9 6.483 1.430 -19.623 1.00 0.86 H ATOM 104 HB VAL A 9 9.106 2.763 -20.328 1.00 0.86 H ATOM 105 1HG1 VAL A 9 7.927 3.674 -22.270 1.00 0.86 H ATOM 106 2HG1 VAL A 9 8.024 1.906 -22.343 1.00 0.86 H ATOM 107 3HG1 VAL A 9 6.507 2.681 -21.873 1.00 0.86 H ATOM 108 1HG2 VAL A 9 7.743 4.796 -20.027 1.00 0.86 H ATOM 109 2HG2 VAL A 9 6.336 3.786 -19.631 1.00 0.86 H ATOM 110 3HG2 VAL A 9 7.743 3.797 -18.562 1.00 0.86 H ATOM 111 N TYR A 10 9.165 -0.181 -20.654 1.00 0.87 N ATOM 112 CA TYR A 10 9.608 -1.227 -21.571 1.00 0.87 C ATOM 113 C TYR A 10 9.914 -2.547 -20.870 1.00 0.87 C ATOM 114 O TYR A 10 10.484 -3.459 -21.469 1.00 0.87 O ATOM 115 CB TYR A 10 10.841 -0.746 -22.329 1.00 0.87 C ATOM 116 CG TYR A 10 10.578 0.502 -23.129 1.00 0.87 C ATOM 117 CD1 TYR A 10 11.033 1.725 -22.657 1.00 0.87 C ATOM 118 CD2 TYR A 10 9.870 0.435 -24.316 1.00 0.87 C ATOM 119 CE1 TYR A 10 10.785 2.877 -23.372 1.00 0.87 C ATOM 120 CE2 TYR A 10 9.620 1.589 -25.034 1.00 0.87 C ATOM 121 CZ TYR A 10 10.075 2.807 -24.564 1.00 0.87 C ATOM 122 OH TYR A 10 9.823 3.956 -25.277 1.00 0.87 O ATOM 123 H TYR A 10 9.822 0.231 -20.008 1.00 0.87 H ATOM 124 HA TYR A 10 8.811 -1.417 -22.289 1.00 0.87 H ATOM 125 1HB TYR A 10 11.648 -0.542 -21.625 1.00 0.87 H ATOM 126 2HB TYR A 10 11.182 -1.526 -23.009 1.00 0.87 H ATOM 127 HD1 TYR A 10 11.585 1.775 -21.718 1.00 0.87 H ATOM 128 HD2 TYR A 10 9.508 -0.525 -24.683 1.00 0.87 H ATOM 129 HE1 TYR A 10 11.141 3.837 -23.000 1.00 0.87 H ATOM 130 HE2 TYR A 10 9.061 1.539 -25.968 1.00 0.87 H ATOM 131 HH TYR A 10 9.331 3.738 -26.072 1.00 0.87 H ATOM 132 N GLY A 11 9.571 -2.639 -19.596 1.00 0.90 N ATOM 133 CA GLY A 11 9.854 -3.845 -18.834 1.00 0.90 C ATOM 134 C GLY A 11 9.573 -3.619 -17.357 1.00 0.90 C ATOM 135 O GLY A 11 9.197 -2.520 -16.969 1.00 0.90 O ATOM 136 H GLY A 11 9.087 -1.866 -19.158 1.00 0.90 H ATOM 137 1HA GLY A 11 9.243 -4.663 -19.215 1.00 0.90 H ATOM 138 2HA GLY A 11 10.900 -4.109 -18.982 1.00 0.90 H ATOM 139 N PRO A 12 9.760 -4.638 -16.516 1.00 0.95 N ATOM 140 CA PRO A 12 9.561 -4.609 -15.085 1.00 0.95 C ATOM 141 C PRO A 12 10.654 -3.766 -14.484 1.00 0.95 C ATOM 142 O PRO A 12 11.685 -3.574 -15.118 1.00 0.95 O ATOM 143 CB PRO A 12 9.686 -6.084 -14.689 1.00 0.95 C ATOM 144 CG PRO A 12 10.584 -6.680 -15.748 1.00 0.95 C ATOM 145 CD PRO A 12 10.235 -5.937 -17.029 1.00 0.95 C ATOM 146 HA PRO A 12 8.566 -4.199 -14.853 1.00 0.95 H ATOM 147 1HB PRO A 12 10.127 -6.152 -13.679 1.00 0.95 H ATOM 148 2HB PRO A 12 8.694 -6.551 -14.643 1.00 0.95 H ATOM 149 1HG PRO A 12 11.632 -6.539 -15.451 1.00 0.95 H ATOM 150 2HG PRO A 12 10.419 -7.765 -15.821 1.00 0.95 H ATOM 151 1HD PRO A 12 11.145 -5.829 -17.624 1.00 0.95 H ATOM 152 2HD PRO A 12 9.435 -6.459 -17.575 1.00 0.95 H ATOM 153 N CYS A 13 10.449 -3.253 -13.291 1.00 1.02 N ATOM 154 CA CYS A 13 11.514 -2.512 -12.648 1.00 1.02 C ATOM 155 C CYS A 13 12.674 -3.442 -12.334 1.00 1.02 C ATOM 156 O CYS A 13 12.457 -4.616 -12.016 1.00 1.02 O ATOM 157 CB CYS A 13 10.989 -1.840 -11.384 1.00 1.02 C ATOM 158 SG CYS A 13 10.466 -2.954 -10.067 1.00 1.02 S ATOM 159 H CYS A 13 9.567 -3.393 -12.816 1.00 1.02 H ATOM 160 HA CYS A 13 11.863 -1.735 -13.333 1.00 1.02 H ATOM 161 1HB CYS A 13 11.759 -1.184 -10.976 1.00 1.02 H ATOM 162 2HB CYS A 13 10.143 -1.210 -11.641 1.00 1.02 H ATOM 163 HG CYS A 13 11.676 -3.462 -9.838 1.00 1.02 H ATOM 164 N PHE A 14 13.897 -2.913 -12.381 1.00 1.12 N ATOM 165 CA PHE A 14 15.075 -3.707 -12.086 1.00 1.12 C ATOM 166 C PHE A 14 15.822 -3.288 -10.815 1.00 1.12 C ATOM 167 O PHE A 14 16.648 -4.053 -10.314 1.00 1.12 O ATOM 168 CB PHE A 14 16.014 -3.668 -13.290 1.00 1.12 C ATOM 169 CG PHE A 14 15.352 -4.204 -14.545 1.00 1.12 C ATOM 170 CD1 PHE A 14 14.948 -3.341 -15.557 1.00 1.12 C ATOM 171 CD2 PHE A 14 15.114 -5.560 -14.704 1.00 1.12 C ATOM 172 CE1 PHE A 14 14.329 -3.825 -16.699 1.00 1.12 C ATOM 173 CE2 PHE A 14 14.497 -6.044 -15.841 1.00 1.12 C ATOM 174 CZ PHE A 14 14.105 -5.175 -16.841 1.00 1.12 C ATOM 175 H PHE A 14 14.011 -1.939 -12.661 1.00 1.12 H ATOM 176 HA PHE A 14 14.756 -4.740 -11.949 1.00 1.12 H ATOM 177 1HB PHE A 14 16.322 -2.638 -13.476 1.00 1.12 H ATOM 178 2HB PHE A 14 16.906 -4.256 -13.087 1.00 1.12 H ATOM 179 HD1 PHE A 14 15.118 -2.269 -15.439 1.00 1.12 H ATOM 180 HD2 PHE A 14 15.416 -6.248 -13.914 1.00 1.12 H ATOM 181 HE1 PHE A 14 14.013 -3.135 -17.481 1.00 1.12 H ATOM 182 HE2 PHE A 14 14.316 -7.111 -15.949 1.00 1.12 H ATOM 183 HZ PHE A 14 13.618 -5.554 -17.734 1.00 1.12 H ATOM 184 N THR A 15 15.559 -2.090 -10.280 1.00 1.25 N ATOM 185 CA THR A 15 16.286 -1.680 -9.079 1.00 1.25 C ATOM 186 C THR A 15 16.028 -2.663 -7.951 1.00 1.25 C ATOM 187 O THR A 15 14.877 -2.995 -7.658 1.00 1.25 O ATOM 188 CB THR A 15 15.888 -0.267 -8.608 1.00 1.25 C ATOM 189 OG1 THR A 15 16.155 0.676 -9.644 1.00 1.25 O ATOM 190 CG2 THR A 15 16.657 0.123 -7.345 1.00 1.25 C ATOM 191 H THR A 15 14.884 -1.439 -10.694 1.00 1.25 H ATOM 192 HA THR A 15 17.353 -1.684 -9.298 1.00 1.25 H ATOM 193 HB THR A 15 14.817 -0.249 -8.393 1.00 1.25 H ATOM 194 HG1 THR A 15 15.456 0.584 -10.324 1.00 1.25 H ATOM 195 1HG2 THR A 15 16.354 1.123 -7.035 1.00 1.25 H ATOM 196 2HG2 THR A 15 16.441 -0.577 -6.545 1.00 1.25 H ATOM 197 3HG2 THR A 15 17.724 0.116 -7.553 1.00 1.25 H ATOM 198 N ALA A 16 17.086 -3.104 -7.271 1.00 1.38 N ATOM 199 CA ALA A 16 16.934 -4.056 -6.170 1.00 1.38 C ATOM 200 C ALA A 16 16.437 -3.364 -4.902 1.00 1.38 C ATOM 201 O ALA A 16 17.158 -3.242 -3.912 1.00 1.38 O ATOM 202 CB ALA A 16 18.255 -4.748 -5.891 1.00 1.38 C ATOM 203 H ALA A 16 18.007 -2.796 -7.544 1.00 1.38 H ATOM 204 HA ALA A 16 16.192 -4.799 -6.463 1.00 1.38 H ATOM 205 1HB ALA A 16 18.121 -5.471 -5.086 1.00 1.38 H ATOM 206 2HB ALA A 16 18.591 -5.264 -6.791 1.00 1.38 H ATOM 207 3HB ALA A 16 18.997 -4.009 -5.596 1.00 1.38 H ATOM 208 N ALA A 17 15.200 -2.898 -4.971 1.00 1.47 N ATOM 209 CA ALA A 17 14.532 -2.178 -3.904 1.00 1.47 C ATOM 210 C ALA A 17 13.609 -3.122 -3.154 1.00 1.47 C ATOM 211 O ALA A 17 13.099 -4.093 -3.714 1.00 1.47 O ATOM 212 CB ALA A 17 13.770 -0.998 -4.474 1.00 1.47 C ATOM 213 H ALA A 17 14.711 -3.055 -5.848 1.00 1.47 H ATOM 214 HA ALA A 17 15.283 -1.814 -3.204 1.00 1.47 H ATOM 215 1HB ALA A 17 13.277 -0.458 -3.667 1.00 1.47 H ATOM 216 2HB ALA A 17 14.455 -0.332 -4.992 1.00 1.47 H ATOM 217 3HB ALA A 17 13.027 -1.365 -5.176 1.00 1.47 H ATOM 218 N ILE A 18 13.382 -2.835 -1.886 1.00 1.50 N ATOM 219 CA ILE A 18 12.512 -3.671 -1.079 1.00 1.50 C ATOM 220 C ILE A 18 11.072 -3.187 -1.097 1.00 1.50 C ATOM 221 O ILE A 18 10.810 -2.005 -0.888 1.00 1.50 O ATOM 222 CB ILE A 18 13.032 -3.729 0.365 1.00 1.50 C ATOM 223 CG1 ILE A 18 14.480 -4.233 0.355 1.00 1.50 C ATOM 224 CG2 ILE A 18 12.152 -4.631 1.220 1.00 1.50 C ATOM 225 CD1 ILE A 18 14.640 -5.602 -0.269 1.00 1.50 C ATOM 226 H ILE A 18 13.827 -2.030 -1.470 1.00 1.50 H ATOM 227 HA ILE A 18 12.534 -4.681 -1.485 1.00 1.50 H ATOM 228 HB ILE A 18 13.036 -2.727 0.788 1.00 1.50 H ATOM 229 1HG1 ILE A 18 15.096 -3.528 -0.203 1.00 1.50 H ATOM 230 2HG1 ILE A 18 14.846 -4.277 1.381 1.00 1.50 H ATOM 231 1HG2 ILE A 18 12.540 -4.655 2.237 1.00 1.50 H ATOM 232 2HG2 ILE A 18 11.135 -4.248 1.235 1.00 1.50 H ATOM 233 3HG2 ILE A 18 12.154 -5.639 0.807 1.00 1.50 H ATOM 234 1HD1 ILE A 18 15.690 -5.893 -0.242 1.00 1.50 H ATOM 235 2HD1 ILE A 18 14.047 -6.328 0.288 1.00 1.50 H ATOM 236 3HD1 ILE A 18 14.300 -5.575 -1.305 1.00 1.50 H ATOM 237 N GLY A 19 10.147 -4.112 -1.373 1.00 1.45 N ATOM 238 CA GLY A 19 8.718 -3.806 -1.410 1.00 1.45 C ATOM 239 C GLY A 19 8.231 -3.249 -2.747 1.00 1.45 C ATOM 240 O GLY A 19 7.086 -2.793 -2.849 1.00 1.45 O ATOM 241 H GLY A 19 10.449 -5.059 -1.550 1.00 1.45 H ATOM 242 1HA GLY A 19 8.157 -4.710 -1.174 1.00 1.45 H ATOM 243 2HA GLY A 19 8.492 -3.090 -0.622 1.00 1.45 H ATOM 244 N CYS A 20 9.084 -3.256 -3.770 1.00 1.35 N ATOM 245 CA CYS A 20 8.674 -2.674 -5.041 1.00 1.35 C ATOM 246 C CYS A 20 8.118 -3.605 -6.108 1.00 1.35 C ATOM 247 O CYS A 20 8.523 -4.763 -6.241 1.00 1.35 O ATOM 248 CB CYS A 20 9.812 -1.874 -5.647 1.00 1.35 C ATOM 249 SG CYS A 20 10.221 -0.427 -4.659 1.00 1.35 S ATOM 250 H CYS A 20 10.011 -3.643 -3.660 1.00 1.35 H ATOM 251 HA CYS A 20 7.898 -1.970 -4.804 1.00 1.35 H ATOM 252 1HB CYS A 20 10.703 -2.498 -5.731 1.00 1.35 H ATOM 253 2HB CYS A 20 9.536 -1.546 -6.643 1.00 1.35 H ATOM 254 HG CYS A 20 9.020 0.143 -4.789 1.00 1.35 H ATOM 255 N SER A 21 7.203 -3.032 -6.890 1.00 1.22 N ATOM 256 CA SER A 21 6.589 -3.660 -8.056 1.00 1.22 C ATOM 257 C SER A 21 6.109 -2.603 -9.050 1.00 1.22 C ATOM 258 O SER A 21 6.376 -1.417 -8.869 1.00 1.22 O ATOM 259 CB SER A 21 5.433 -4.559 -7.650 1.00 1.22 C ATOM 260 OG SER A 21 5.024 -5.344 -8.748 1.00 1.22 O ATOM 261 H SER A 21 6.929 -2.079 -6.642 1.00 1.22 H ATOM 262 HA SER A 21 7.343 -4.272 -8.554 1.00 1.22 H ATOM 263 1HB SER A 21 5.743 -5.204 -6.828 1.00 1.22 H ATOM 264 2HB SER A 21 4.603 -3.953 -7.299 1.00 1.22 H ATOM 265 HG SER A 21 4.338 -5.930 -8.411 1.00 1.22 H ATOM 266 N CYS A 22 5.415 -3.046 -10.102 1.00 1.09 N ATOM 267 CA CYS A 22 4.921 -2.128 -11.139 1.00 1.09 C ATOM 268 C CYS A 22 3.397 -2.087 -11.255 1.00 1.09 C ATOM 269 O CYS A 22 2.711 -3.091 -11.043 1.00 1.09 O ATOM 270 CB CYS A 22 5.470 -2.501 -12.522 1.00 1.09 C ATOM 271 SG CYS A 22 7.299 -2.409 -12.713 1.00 1.09 S ATOM 272 H CYS A 22 5.219 -4.041 -10.130 1.00 1.09 H ATOM 273 HA CYS A 22 5.266 -1.127 -10.896 1.00 1.09 H ATOM 274 1HB CYS A 22 5.158 -3.513 -12.770 1.00 1.09 H ATOM 275 2HB CYS A 22 5.022 -1.835 -13.266 1.00 1.09 H ATOM 276 N LYS A 23 2.886 -0.928 -11.660 1.00 0.99 N ATOM 277 CA LYS A 23 1.468 -0.724 -11.971 1.00 0.99 C ATOM 278 C LYS A 23 1.387 0.181 -13.189 1.00 0.99 C ATOM 279 O LYS A 23 2.254 1.032 -13.385 1.00 0.99 O ATOM 280 CB LYS A 23 0.716 -0.128 -10.774 1.00 0.99 C ATOM 281 CG LYS A 23 1.196 1.264 -10.343 1.00 0.99 C ATOM 282 CD LYS A 23 0.468 1.735 -9.068 1.00 0.99 C ATOM 283 CE LYS A 23 0.953 3.112 -8.606 1.00 0.99 C ATOM 284 NZ LYS A 23 0.248 3.568 -7.360 1.00 0.99 N ATOM 285 H LYS A 23 3.530 -0.142 -11.758 1.00 0.99 H ATOM 286 HA LYS A 23 1.016 -1.682 -12.231 1.00 0.99 H ATOM 287 1HB LYS A 23 -0.342 -0.046 -11.019 1.00 0.99 H ATOM 288 2HB LYS A 23 0.800 -0.797 -9.921 1.00 0.99 H ATOM 289 1HG LYS A 23 2.271 1.257 -10.178 1.00 0.99 H ATOM 290 2HG LYS A 23 0.983 1.973 -11.145 1.00 0.99 H ATOM 291 1HD LYS A 23 -0.603 1.786 -9.264 1.00 0.99 H ATOM 292 2HD LYS A 23 0.637 1.017 -8.263 1.00 0.99 H ATOM 293 1HE LYS A 23 2.018 3.058 -8.409 1.00 0.99 H ATOM 294 2HE LYS A 23 0.780 3.839 -9.400 1.00 0.99 H ATOM 295 1HZ LYS A 23 0.596 4.474 -7.074 1.00 0.99 H ATOM 296 2HZ LYS A 23 -0.743 3.632 -7.534 1.00 0.99 H ATOM 297 3HZ LYS A 23 0.410 2.902 -6.610 1.00 0.99 H ATOM 298 N SER A 24 0.343 0.048 -13.998 1.00 0.91 N ATOM 299 CA SER A 24 0.269 0.832 -15.233 1.00 0.91 C ATOM 300 C SER A 24 1.670 0.854 -15.914 1.00 0.91 C ATOM 301 O SER A 24 2.048 -0.130 -16.546 1.00 0.91 O ATOM 302 CB SER A 24 -0.276 2.239 -14.968 1.00 0.91 C ATOM 303 OG SER A 24 0.602 2.983 -14.185 1.00 0.91 O ATOM 304 H SER A 24 -0.374 -0.633 -13.789 1.00 0.91 H ATOM 305 HA SER A 24 -0.424 0.337 -15.916 1.00 0.91 H ATOM 306 1HB SER A 24 -0.409 2.738 -15.928 1.00 0.91 H ATOM 307 2HB SER A 24 -1.253 2.187 -14.490 1.00 0.91 H ATOM 308 HG SER A 24 1.419 2.456 -14.128 1.00 0.91 H ATOM 309 N LYS A 25 2.400 1.979 -15.825 1.00 0.86 N ATOM 310 CA LYS A 25 3.727 2.142 -16.436 1.00 0.86 C ATOM 311 C LYS A 25 4.828 2.580 -15.455 1.00 0.86 C ATOM 312 O LYS A 25 5.870 3.077 -15.895 1.00 0.86 O ATOM 313 CB LYS A 25 3.664 3.131 -17.606 1.00 0.86 C ATOM 314 CG LYS A 25 2.757 2.697 -18.768 1.00 0.86 C ATOM 315 CD LYS A 25 3.329 1.448 -19.455 1.00 0.86 C ATOM 316 CE LYS A 25 2.508 1.004 -20.652 1.00 0.86 C ATOM 317 NZ LYS A 25 3.067 -0.249 -21.268 1.00 0.86 N ATOM 318 H LYS A 25 2.014 2.716 -15.257 1.00 0.86 H ATOM 319 HA LYS A 25 4.032 1.174 -16.838 1.00 0.86 H ATOM 320 1HB LYS A 25 3.309 4.096 -17.242 1.00 0.86 H ATOM 321 2HB LYS A 25 4.665 3.278 -17.999 1.00 0.86 H ATOM 322 1HG LYS A 25 1.756 2.478 -18.401 1.00 0.86 H ATOM 323 2HG LYS A 25 2.691 3.504 -19.496 1.00 0.86 H ATOM 324 1HD LYS A 25 4.315 1.679 -19.815 1.00 0.86 H ATOM 325 2HD LYS A 25 3.404 0.626 -18.741 1.00 0.86 H ATOM 326 1HE LYS A 25 1.484 0.817 -20.334 1.00 0.86 H ATOM 327 2HE LYS A 25 2.509 1.795 -21.401 1.00 0.86 H ATOM 328 1HZ LYS A 25 2.503 -0.522 -22.058 1.00 0.86 H ATOM 329 2HZ LYS A 25 4.024 -0.090 -21.577 1.00 0.86 H ATOM 330 3HZ LYS A 25 3.061 -0.989 -20.577 1.00 0.86 H ATOM 331 N VAL A 26 4.571 2.482 -14.144 1.00 0.84 N ATOM 332 CA VAL A 26 5.511 2.958 -13.117 1.00 0.84 C ATOM 333 C VAL A 26 5.771 2.016 -11.928 1.00 0.84 C ATOM 334 O VAL A 26 4.913 1.226 -11.523 1.00 0.84 O ATOM 335 CB VAL A 26 4.983 4.284 -12.519 1.00 0.84 C ATOM 336 CG1 VAL A 26 4.885 5.373 -13.590 1.00 0.84 C ATOM 337 CG2 VAL A 26 3.618 4.016 -11.871 1.00 0.84 C ATOM 338 H VAL A 26 3.706 2.039 -13.855 1.00 0.84 H ATOM 339 HA VAL A 26 6.468 3.148 -13.600 1.00 0.84 H ATOM 340 HB VAL A 26 5.685 4.634 -11.760 1.00 0.84 H ATOM 341 1HG1 VAL A 26 4.529 6.297 -13.134 1.00 0.84 H ATOM 342 2HG1 VAL A 26 5.872 5.539 -14.027 1.00 0.84 H ATOM 343 3HG1 VAL A 26 4.190 5.073 -14.368 1.00 0.84 H ATOM 344 1HG2 VAL A 26 3.238 4.932 -11.422 1.00 0.84 H ATOM 345 2HG2 VAL A 26 2.914 3.662 -12.626 1.00 0.84 H ATOM 346 3HG2 VAL A 26 3.731 3.254 -11.099 1.00 0.84 H ATOM 347 N CYS A 27 6.950 2.176 -11.325 1.00 0.85 N ATOM 348 CA CYS A 27 7.363 1.505 -10.093 1.00 0.85 C ATOM 349 C CYS A 27 6.862 2.150 -8.810 1.00 0.85 C ATOM 350 O CYS A 27 6.946 3.373 -8.653 1.00 0.85 O ATOM 351 CB CYS A 27 8.858 1.469 -9.997 1.00 0.85 C ATOM 352 SG CYS A 27 9.507 0.781 -8.491 1.00 0.85 S ATOM 353 H CYS A 27 7.648 2.791 -11.746 1.00 0.85 H ATOM 354 HA CYS A 27 6.999 0.485 -10.141 1.00 0.85 H ATOM 355 1HB CYS A 27 9.271 0.918 -10.842 1.00 0.85 H ATOM 356 2HB CYS A 27 9.218 2.479 -10.062 1.00 0.85 H ATOM 357 N TYR A 28 6.390 1.321 -7.882 1.00 0.88 N ATOM 358 CA TYR A 28 5.924 1.797 -6.580 1.00 0.88 C ATOM 359 C TYR A 28 6.314 0.857 -5.443 1.00 0.88 C ATOM 360 O TYR A 28 6.615 -0.315 -5.665 1.00 0.88 O ATOM 361 CB TYR A 28 4.401 1.910 -6.572 1.00 0.88 C ATOM 362 CG TYR A 28 3.723 0.562 -6.633 1.00 0.88 C ATOM 363 CD1 TYR A 28 3.335 -0.055 -5.458 1.00 0.88 C ATOM 364 CD2 TYR A 28 3.506 -0.074 -7.837 1.00 0.88 C ATOM 365 CE1 TYR A 28 2.722 -1.285 -5.486 1.00 0.88 C ATOM 366 CE2 TYR A 28 2.885 -1.308 -7.849 1.00 0.88 C ATOM 367 CZ TYR A 28 2.494 -1.906 -6.694 1.00 0.88 C ATOM 368 OH TYR A 28 1.871 -3.137 -6.737 1.00 0.88 O ATOM 369 H TYR A 28 6.363 0.331 -8.108 1.00 0.88 H ATOM 370 HA TYR A 28 6.377 2.761 -6.390 1.00 0.88 H ATOM 371 1HB TYR A 28 4.072 2.418 -5.663 1.00 0.88 H ATOM 372 2HB TYR A 28 4.079 2.503 -7.420 1.00 0.88 H ATOM 373 HD1 TYR A 28 3.511 0.439 -4.498 1.00 0.88 H ATOM 374 HD2 TYR A 28 3.822 0.393 -8.770 1.00 0.88 H ATOM 375 HE1 TYR A 28 2.414 -1.760 -4.552 1.00 0.88 H ATOM 376 HE2 TYR A 28 2.703 -1.814 -8.771 1.00 0.88 H ATOM 377 HH TYR A 28 1.861 -3.458 -7.646 1.00 0.88 H ATOM 378 N LYS A 29 6.274 1.373 -4.209 1.00 0.93 N ATOM 379 CA LYS A 29 6.547 0.597 -2.999 1.00 0.93 C ATOM 380 C LYS A 29 5.320 0.447 -2.105 1.00 0.93 C ATOM 381 O LYS A 29 4.667 1.450 -1.775 1.00 0.93 O ATOM 382 CB LYS A 29 7.683 1.224 -2.186 1.00 0.93 C ATOM 383 CG LYS A 29 8.024 0.449 -0.930 1.00 0.93 C ATOM 384 CD LYS A 29 9.242 0.999 -0.234 1.00 0.93 C ATOM 385 CE LYS A 29 9.487 0.267 1.078 1.00 0.93 C ATOM 386 NZ LYS A 29 10.741 0.714 1.728 1.00 0.93 N ATOM 387 H LYS A 29 6.041 2.350 -4.117 1.00 0.93 H ATOM 388 HA LYS A 29 6.855 -0.399 -3.298 1.00 0.93 H ATOM 389 1HB LYS A 29 8.578 1.296 -2.794 1.00 0.93 H ATOM 390 2HB LYS A 29 7.401 2.236 -1.894 1.00 0.93 H ATOM 391 1HG LYS A 29 7.189 0.478 -0.242 1.00 0.93 H ATOM 392 2HG LYS A 29 8.216 -0.590 -1.195 1.00 0.93 H ATOM 393 1HD LYS A 29 10.112 0.857 -0.881 1.00 0.93 H ATOM 394 2HD LYS A 29 9.113 2.062 -0.043 1.00 0.93 H ATOM 395 1HE LYS A 29 8.651 0.461 1.749 1.00 0.93 H ATOM 396 2HE LYS A 29 9.543 -0.802 0.892 1.00 0.93 H ATOM 397 1HZ LYS A 29 10.871 0.212 2.594 1.00 0.93 H ATOM 398 2HZ LYS A 29 11.515 0.519 1.105 1.00 0.93 H ATOM 399 3HZ LYS A 29 10.697 1.702 1.914 1.00 0.93 H ATOM 400 N ASN A 30 5.061 -0.814 -1.712 1.00 1.00 N ATOM 401 CA ASN A 30 3.952 -1.267 -0.854 1.00 1.00 C ATOM 402 C ASN A 30 2.643 -1.448 -1.631 1.00 1.00 C ATOM 403 O ASN A 30 2.201 -0.552 -2.351 1.00 1.00 O ATOM 404 OXT ASN A 30 1.981 -2.471 -1.460 1.00 1.00 O ATOM 405 CB ASN A 30 3.722 -0.351 0.351 1.00 1.00 C ATOM 406 CG ASN A 30 4.882 -0.333 1.330 1.00 1.00 C ATOM 407 OD1 ASN A 30 5.553 -1.349 1.552 1.00 1.00 O ATOM 408 ND2 ASN A 30 5.120 0.812 1.919 1.00 1.00 N ATOM 409 H ASN A 30 5.702 -1.535 -2.057 1.00 1.00 H ATOM 410 HA ASN A 30 4.218 -2.251 -0.464 1.00 1.00 H ATOM 411 1HB ASN A 30 3.467 0.657 0.061 1.00 1.00 H ATOM 412 2HB ASN A 30 2.854 -0.730 0.893 1.00 1.00 H ATOM 413 1HD2 ASN A 30 5.866 0.891 2.580 1.00 1.00 H ATOM 414 2HD2 ASN A 30 4.552 1.607 1.712 1.00 1.00 H TER 415 ENDMDL REMARK ID 128520 MODEL 3 2021-09-18_00000196_1_11 PFRMAT TS TARGET 2021-09-18_00000196_1_11 AUTHOR BAKER-ROBETTA METHOD ROSETTA provides both ab initio and METHOD comparative models of protein domains. METHOD Comparative models are built from structures METHOD detected and aligned by HHSEARCH, SPARKS, and METHOD Raptor. Loop regions are assembled from fragments and METHOD optimized to fit the aligned template structures. METHOD De novo models are built using the Rosetta de METHOD novo protocol. The procedure is fully automated. MODEL 3 PARENT N/A REMARK PARENT N/A REMARK PARSRC TrRefineRosetta REMARK SCORE 0.00 ATOM 1 N GLY A 1 1.398 1.076 -1.365 1.00 1.64 N ATOM 2 CA GLY A 1 2.669 1.114 -0.644 1.00 1.64 C ATOM 3 C GLY A 1 3.171 2.543 -0.481 1.00 1.64 C ATOM 4 O GLY A 1 2.384 3.449 -0.195 1.00 1.64 O ATOM 5 H GLY A 1 0.549 1.251 -0.844 1.00 1.64 H ATOM 6 1HA GLY A 1 2.560 0.642 0.333 1.00 1.64 H ATOM 7 2HA GLY A 1 3.399 0.537 -1.199 1.00 1.64 H ATOM 8 N PHE A 2 4.467 2.760 -0.692 1.00 1.43 N ATOM 9 CA PHE A 2 4.996 4.124 -0.591 1.00 1.43 C ATOM 10 C PHE A 2 6.049 4.403 -1.677 1.00 1.43 C ATOM 11 O PHE A 2 6.740 3.487 -2.093 1.00 1.43 O ATOM 12 CB PHE A 2 5.579 4.342 0.812 1.00 1.43 C ATOM 13 CG PHE A 2 6.737 3.448 1.150 1.00 1.43 C ATOM 14 CD1 PHE A 2 8.038 3.854 0.911 1.00 1.43 C ATOM 15 CD2 PHE A 2 6.523 2.199 1.725 1.00 1.43 C ATOM 16 CE1 PHE A 2 9.105 3.043 1.243 1.00 1.43 C ATOM 17 CE2 PHE A 2 7.584 1.383 2.057 1.00 1.43 C ATOM 18 CZ PHE A 2 8.878 1.807 1.822 1.00 1.43 C ATOM 19 H PHE A 2 5.062 1.955 -0.900 1.00 1.43 H ATOM 20 HA PHE A 2 4.155 4.791 -0.702 1.00 1.43 H ATOM 21 1HB PHE A 2 5.911 5.368 0.921 1.00 1.43 H ATOM 22 2HB PHE A 2 4.796 4.175 1.552 1.00 1.43 H ATOM 23 HD1 PHE A 2 8.215 4.834 0.455 1.00 1.43 H ATOM 24 HD2 PHE A 2 5.502 1.866 1.915 1.00 1.43 H ATOM 25 HE1 PHE A 2 10.122 3.381 1.051 1.00 1.43 H ATOM 26 HE2 PHE A 2 7.401 0.408 2.508 1.00 1.43 H ATOM 27 HZ PHE A 2 9.716 1.165 2.088 1.00 1.43 H ATOM 28 N PRO A 3 6.234 5.651 -2.144 1.00 1.25 N ATOM 29 CA PRO A 3 7.206 6.030 -3.168 1.00 1.25 C ATOM 30 C PRO A 3 8.641 5.615 -2.849 1.00 1.25 C ATOM 31 O PRO A 3 9.108 5.819 -1.727 1.00 1.25 O ATOM 32 CB PRO A 3 7.081 7.562 -3.168 1.00 1.25 C ATOM 33 CG PRO A 3 5.672 7.831 -2.723 1.00 1.25 C ATOM 34 CD PRO A 3 5.379 6.774 -1.688 1.00 1.25 C ATOM 35 HA PRO A 3 6.882 5.620 -4.132 1.00 1.25 H ATOM 36 1HB PRO A 3 7.835 7.999 -2.499 1.00 1.25 H ATOM 37 2HB PRO A 3 7.285 7.948 -4.178 1.00 1.25 H ATOM 38 1HG PRO A 3 5.587 8.855 -2.324 1.00 1.25 H ATOM 39 2HG PRO A 3 4.993 7.772 -3.589 1.00 1.25 H ATOM 40 1HD PRO A 3 5.660 7.113 -0.684 1.00 1.25 H ATOM 41 2HD PRO A 3 4.311 6.559 -1.782 1.00 1.25 H ATOM 42 N CYS A 4 9.377 5.125 -3.864 1.00 1.11 N ATOM 43 CA CYS A 4 10.776 4.751 -3.654 1.00 1.11 C ATOM 44 C CYS A 4 11.692 5.888 -4.109 1.00 1.11 C ATOM 45 O CYS A 4 12.906 5.843 -3.911 1.00 1.11 O ATOM 46 CB CYS A 4 11.163 3.477 -4.419 1.00 1.11 C ATOM 47 SG CYS A 4 11.528 3.711 -6.192 1.00 1.11 S ATOM 48 H CYS A 4 8.935 4.963 -4.761 1.00 1.11 H ATOM 49 HA CYS A 4 10.934 4.574 -2.590 1.00 1.11 H ATOM 50 1HB CYS A 4 12.039 3.028 -3.954 1.00 1.11 H ATOM 51 2HB CYS A 4 10.350 2.756 -4.343 1.00 1.11 H ATOM 52 N GLY A 5 11.090 6.901 -4.745 1.00 1.01 N ATOM 53 CA GLY A 5 11.766 8.101 -5.257 1.00 1.01 C ATOM 54 C GLY A 5 12.112 8.136 -6.762 1.00 1.01 C ATOM 55 O GLY A 5 12.367 9.211 -7.304 1.00 1.01 O ATOM 56 H GLY A 5 10.090 6.832 -4.861 1.00 1.01 H ATOM 57 1HA GLY A 5 11.143 8.965 -5.025 1.00 1.01 H ATOM 58 2HA GLY A 5 12.685 8.241 -4.690 1.00 1.01 H ATOM 59 N GLU A 6 12.105 6.994 -7.441 1.00 0.96 N ATOM 60 CA GLU A 6 12.419 6.955 -8.877 1.00 0.96 C ATOM 61 C GLU A 6 11.142 7.056 -9.745 1.00 0.96 C ATOM 62 O GLU A 6 10.131 6.412 -9.460 1.00 0.96 O ATOM 63 CB GLU A 6 13.237 5.684 -9.197 1.00 0.96 C ATOM 64 CG GLU A 6 13.710 5.540 -10.660 1.00 0.96 C ATOM 65 CD GLU A 6 14.562 4.287 -10.935 1.00 0.96 C ATOM 66 OE1 GLU A 6 14.914 3.591 -10.022 1.00 0.96 O ATOM 67 OE2 GLU A 6 14.839 4.004 -12.066 1.00 0.96 O ATOM 68 H GLU A 6 11.894 6.135 -6.950 1.00 0.96 H ATOM 69 HA GLU A 6 13.045 7.814 -9.115 1.00 0.96 H ATOM 70 1HB GLU A 6 14.117 5.649 -8.553 1.00 0.96 H ATOM 71 2HB GLU A 6 12.634 4.806 -8.966 1.00 0.96 H ATOM 72 1HG GLU A 6 12.829 5.484 -11.290 1.00 0.96 H ATOM 73 2HG GLU A 6 14.267 6.430 -10.944 1.00 0.96 H ATOM 74 N SER A 7 11.161 7.905 -10.778 1.00 0.94 N ATOM 75 CA SER A 7 9.996 7.983 -11.668 1.00 0.94 C ATOM 76 C SER A 7 10.010 6.784 -12.618 1.00 0.94 C ATOM 77 O SER A 7 11.075 6.241 -12.893 1.00 0.94 O ATOM 78 CB SER A 7 10.016 9.297 -12.449 1.00 0.94 C ATOM 79 OG SER A 7 11.097 9.341 -13.350 1.00 0.94 O ATOM 80 H SER A 7 11.988 8.456 -10.963 1.00 0.94 H ATOM 81 HA SER A 7 9.083 7.942 -11.071 1.00 0.94 H ATOM 82 1HB SER A 7 9.082 9.407 -12.986 1.00 0.94 H ATOM 83 2HB SER A 7 10.090 10.128 -11.751 1.00 0.94 H ATOM 84 HG SER A 7 11.050 10.201 -13.780 1.00 0.94 H ATOM 85 N CYS A 8 8.860 6.434 -13.197 1.00 0.94 N ATOM 86 CA CYS A 8 8.782 5.343 -14.171 1.00 0.94 C ATOM 87 C CYS A 8 8.296 5.857 -15.523 1.00 0.94 C ATOM 88 O CYS A 8 7.555 5.183 -16.245 1.00 0.94 O ATOM 89 CB CYS A 8 7.846 4.241 -13.678 1.00 0.94 C ATOM 90 SG CYS A 8 8.360 3.471 -12.100 1.00 0.94 S ATOM 91 H CYS A 8 8.011 6.924 -12.943 1.00 0.94 H ATOM 92 HA CYS A 8 9.777 4.916 -14.301 1.00 0.94 H ATOM 93 1HB CYS A 8 6.845 4.639 -13.549 1.00 0.94 H ATOM 94 2HB CYS A 8 7.785 3.458 -14.431 1.00 0.94 H ATOM 95 N VAL A 9 8.685 7.068 -15.866 1.00 0.95 N ATOM 96 CA VAL A 9 8.187 7.648 -17.097 1.00 0.95 C ATOM 97 C VAL A 9 8.906 7.047 -18.291 1.00 0.95 C ATOM 98 O VAL A 9 10.132 7.078 -18.384 1.00 0.95 O ATOM 99 CB VAL A 9 8.346 9.175 -17.047 1.00 0.95 C ATOM 100 CG1 VAL A 9 7.899 9.792 -18.338 1.00 0.95 C ATOM 101 CG2 VAL A 9 7.529 9.695 -15.884 1.00 0.95 C ATOM 102 H VAL A 9 9.317 7.577 -15.264 1.00 0.95 H ATOM 103 HA VAL A 9 7.123 7.421 -17.180 1.00 0.95 H ATOM 104 HB VAL A 9 9.398 9.425 -16.905 1.00 0.95 H ATOM 105 1HG1 VAL A 9 8.021 10.873 -18.294 1.00 0.95 H ATOM 106 2HG1 VAL A 9 8.499 9.396 -19.122 1.00 0.95 H ATOM 107 3HG1 VAL A 9 6.853 9.552 -18.521 1.00 0.95 H ATOM 108 1HG2 VAL A 9 7.630 10.777 -15.813 1.00 0.95 H ATOM 109 2HG2 VAL A 9 6.496 9.437 -16.048 1.00 0.95 H ATOM 110 3HG2 VAL A 9 7.874 9.237 -14.962 1.00 0.95 H ATOM 111 N TYR A 10 8.102 6.472 -19.185 1.00 0.98 N ATOM 112 CA TYR A 10 8.520 5.760 -20.393 1.00 0.98 C ATOM 113 C TYR A 10 9.237 4.432 -20.117 1.00 0.98 C ATOM 114 O TYR A 10 9.860 3.876 -21.024 1.00 0.98 O ATOM 115 CB TYR A 10 9.419 6.626 -21.288 1.00 0.98 C ATOM 116 CG TYR A 10 8.849 7.977 -21.622 1.00 0.98 C ATOM 117 CD1 TYR A 10 9.657 9.104 -21.556 1.00 0.98 C ATOM 118 CD2 TYR A 10 7.514 8.099 -21.965 1.00 0.98 C ATOM 119 CE1 TYR A 10 9.130 10.348 -21.841 1.00 0.98 C ATOM 120 CE2 TYR A 10 6.986 9.340 -22.247 1.00 0.98 C ATOM 121 CZ TYR A 10 7.787 10.464 -22.186 1.00 0.98 C ATOM 122 OH TYR A 10 7.257 11.702 -22.467 1.00 0.98 O ATOM 123 H TYR A 10 7.113 6.513 -18.993 1.00 0.98 H ATOM 124 HA TYR A 10 7.621 5.520 -20.960 1.00 0.98 H ATOM 125 1HB TYR A 10 10.392 6.768 -20.821 1.00 0.98 H ATOM 126 2HB TYR A 10 9.594 6.099 -22.226 1.00 0.98 H ATOM 127 HD1 TYR A 10 10.707 9.005 -21.278 1.00 0.98 H ATOM 128 HD2 TYR A 10 6.881 7.213 -22.009 1.00 0.98 H ATOM 129 HE1 TYR A 10 9.762 11.234 -21.789 1.00 0.98 H ATOM 130 HE2 TYR A 10 5.934 9.436 -22.516 1.00 0.98 H ATOM 131 HH TYR A 10 7.940 12.369 -22.376 1.00 0.98 H ATOM 132 N GLY A 11 9.141 3.894 -18.900 1.00 1.03 N ATOM 133 CA GLY A 11 9.782 2.602 -18.658 1.00 1.03 C ATOM 134 C GLY A 11 9.751 2.183 -17.192 1.00 1.03 C ATOM 135 O GLY A 11 9.317 2.943 -16.344 1.00 1.03 O ATOM 136 H GLY A 11 8.624 4.366 -18.153 1.00 1.03 H ATOM 137 1HA GLY A 11 9.289 1.849 -19.270 1.00 1.03 H ATOM 138 2HA GLY A 11 10.816 2.669 -18.996 1.00 1.03 H ATOM 139 N PRO A 12 10.219 0.975 -16.868 1.00 1.09 N ATOM 140 CA PRO A 12 10.275 0.418 -15.532 1.00 1.09 C ATOM 141 C PRO A 12 11.353 1.117 -14.746 1.00 1.09 C ATOM 142 O PRO A 12 12.270 1.682 -15.333 1.00 1.09 O ATOM 143 CB PRO A 12 10.627 -1.049 -15.791 1.00 1.09 C ATOM 144 CG PRO A 12 11.399 -1.027 -17.089 1.00 1.09 C ATOM 145 CD PRO A 12 10.763 0.088 -17.914 1.00 1.09 C ATOM 146 HA PRO A 12 9.296 0.525 -15.046 1.00 1.09 H ATOM 147 1HB PRO A 12 11.232 -1.431 -14.946 1.00 1.09 H ATOM 148 2HB PRO A 12 9.713 -1.656 -15.833 1.00 1.09 H ATOM 149 1HG PRO A 12 12.455 -0.839 -16.872 1.00 1.09 H ATOM 150 2HG PRO A 12 11.347 -2.009 -17.581 1.00 1.09 H ATOM 151 1HD PRO A 12 11.545 0.589 -18.497 1.00 1.09 H ATOM 152 2HD PRO A 12 9.957 -0.315 -18.545 1.00 1.09 H ATOM 153 N CYS A 13 11.268 1.070 -13.430 1.00 1.18 N ATOM 154 CA CYS A 13 12.345 1.601 -12.621 1.00 1.18 C ATOM 155 C CYS A 13 13.539 0.674 -12.725 1.00 1.18 C ATOM 156 O CYS A 13 13.363 -0.528 -12.949 1.00 1.18 O ATOM 157 CB CYS A 13 11.885 1.752 -11.174 1.00 1.18 C ATOM 158 SG CYS A 13 11.469 0.218 -10.308 1.00 1.18 S ATOM 159 H CYS A 13 10.468 0.639 -12.986 1.00 1.18 H ATOM 160 HA CYS A 13 12.627 2.586 -13.001 1.00 1.18 H ATOM 161 1HB CYS A 13 12.666 2.240 -10.600 1.00 1.18 H ATOM 162 2HB CYS A 13 11.018 2.403 -11.137 1.00 1.18 H ATOM 163 HG CYS A 13 11.259 0.795 -9.123 1.00 1.18 H ATOM 164 N PHE A 14 14.742 1.203 -12.509 1.00 1.30 N ATOM 165 CA PHE A 14 15.928 0.368 -12.580 1.00 1.30 C ATOM 166 C PHE A 14 16.705 0.236 -11.268 1.00 1.30 C ATOM 167 O PHE A 14 17.489 -0.703 -11.118 1.00 1.30 O ATOM 168 CB PHE A 14 16.843 0.903 -13.682 1.00 1.30 C ATOM 169 CG PHE A 14 16.152 0.933 -15.027 1.00 1.30 C ATOM 170 CD1 PHE A 14 15.724 2.136 -15.570 1.00 1.30 C ATOM 171 CD2 PHE A 14 15.910 -0.232 -15.735 1.00 1.30 C ATOM 172 CE1 PHE A 14 15.078 2.171 -16.793 1.00 1.30 C ATOM 173 CE2 PHE A 14 15.265 -0.200 -16.954 1.00 1.30 C ATOM 174 CZ PHE A 14 14.847 1.004 -17.484 1.00 1.30 C ATOM 175 H PHE A 14 14.834 2.206 -12.332 1.00 1.30 H ATOM 176 HA PHE A 14 15.613 -0.633 -12.870 1.00 1.30 H ATOM 177 1HB PHE A 14 17.159 1.915 -13.431 1.00 1.30 H ATOM 178 2HB PHE A 14 17.731 0.281 -13.760 1.00 1.30 H ATOM 179 HD1 PHE A 14 15.899 3.061 -15.016 1.00 1.30 H ATOM 180 HD2 PHE A 14 16.232 -1.185 -15.315 1.00 1.30 H ATOM 181 HE1 PHE A 14 14.745 3.122 -17.203 1.00 1.30 H ATOM 182 HE2 PHE A 14 15.079 -1.125 -17.496 1.00 1.30 H ATOM 183 HZ PHE A 14 14.336 1.029 -18.443 1.00 1.30 H ATOM 184 N THR A 15 16.536 1.165 -10.323 1.00 1.45 N ATOM 185 CA THR A 15 17.319 1.072 -9.098 1.00 1.45 C ATOM 186 C THR A 15 16.981 -0.203 -8.342 1.00 1.45 C ATOM 187 O THR A 15 15.812 -0.479 -8.070 1.00 1.45 O ATOM 188 CB THR A 15 17.062 2.272 -8.163 1.00 1.45 C ATOM 189 OG1 THR A 15 17.369 3.481 -8.849 1.00 1.45 O ATOM 190 CG2 THR A 15 17.919 2.171 -6.901 1.00 1.45 C ATOM 191 H THR A 15 15.885 1.950 -10.428 1.00 1.45 H ATOM 192 HA THR A 15 18.377 1.046 -9.358 1.00 1.45 H ATOM 193 HB THR A 15 16.007 2.288 -7.881 1.00 1.45 H ATOM 194 HG1 THR A 15 16.617 3.666 -9.455 1.00 1.45 H ATOM 195 1HG2 THR A 15 17.719 3.030 -6.262 1.00 1.45 H ATOM 196 2HG2 THR A 15 17.682 1.264 -6.362 1.00 1.45 H ATOM 197 3HG2 THR A 15 18.971 2.162 -7.176 1.00 1.45 H ATOM 198 N ALA A 16 17.990 -0.962 -7.916 1.00 1.60 N ATOM 199 CA ALA A 16 17.717 -2.173 -7.136 1.00 1.60 C ATOM 200 C ALA A 16 17.431 -1.785 -5.690 1.00 1.60 C ATOM 201 O ALA A 16 18.217 -2.058 -4.786 1.00 1.60 O ATOM 202 CB ALA A 16 18.889 -3.137 -7.196 1.00 1.60 C ATOM 203 H ALA A 16 18.939 -0.711 -8.154 1.00 1.60 H ATOM 204 HA ALA A 16 16.830 -2.657 -7.546 1.00 1.60 H ATOM 205 1HB ALA A 16 18.653 -4.029 -6.614 1.00 1.60 H ATOM 206 2HB ALA A 16 19.077 -3.418 -8.234 1.00 1.60 H ATOM 207 3HB ALA A 16 19.775 -2.658 -6.784 1.00 1.60 H ATOM 208 N ALA A 17 16.293 -1.123 -5.497 1.00 1.71 N ATOM 209 CA ALA A 17 15.891 -0.555 -4.218 1.00 1.71 C ATOM 210 C ALA A 17 15.290 -1.598 -3.282 1.00 1.71 C ATOM 211 O ALA A 17 15.108 -1.326 -2.094 1.00 1.71 O ATOM 212 CB ALA A 17 14.909 0.575 -4.464 1.00 1.71 C ATOM 213 H ALA A 17 15.717 -0.963 -6.321 1.00 1.71 H ATOM 214 HA ALA A 17 16.782 -0.152 -3.739 1.00 1.71 H ATOM 215 1HB ALA A 17 14.644 1.035 -3.529 1.00 1.71 H ATOM 216 2HB ALA A 17 15.369 1.321 -5.113 1.00 1.71 H ATOM 217 3HB ALA A 17 14.020 0.187 -4.942 1.00 1.71 H ATOM 218 N ILE A 18 15.044 -2.787 -3.831 1.00 1.72 N ATOM 219 CA ILE A 18 14.501 -3.970 -3.169 1.00 1.72 C ATOM 220 C ILE A 18 13.070 -3.804 -2.659 1.00 1.72 C ATOM 221 O ILE A 18 12.783 -2.987 -1.788 1.00 1.72 O ATOM 222 CB ILE A 18 15.420 -4.416 -2.016 1.00 1.72 C ATOM 223 CG1 ILE A 18 16.843 -4.672 -2.569 1.00 1.72 C ATOM 224 CG2 ILE A 18 14.863 -5.675 -1.363 1.00 1.72 C ATOM 225 CD1 ILE A 18 16.903 -5.718 -3.653 1.00 1.72 C ATOM 226 H ILE A 18 15.254 -2.868 -4.813 1.00 1.72 H ATOM 227 HA ILE A 18 14.492 -4.776 -3.899 1.00 1.72 H ATOM 228 HB ILE A 18 15.488 -3.633 -1.268 1.00 1.72 H ATOM 229 1HG1 ILE A 18 17.243 -3.742 -2.969 1.00 1.72 H ATOM 230 2HG1 ILE A 18 17.482 -4.994 -1.748 1.00 1.72 H ATOM 231 1HG2 ILE A 18 15.520 -5.981 -0.551 1.00 1.72 H ATOM 232 2HG2 ILE A 18 13.869 -5.469 -0.967 1.00 1.72 H ATOM 233 3HG2 ILE A 18 14.800 -6.472 -2.101 1.00 1.72 H ATOM 234 1HD1 ILE A 18 17.936 -5.838 -3.983 1.00 1.72 H ATOM 235 2HD1 ILE A 18 16.532 -6.666 -3.266 1.00 1.72 H ATOM 236 3HD1 ILE A 18 16.290 -5.401 -4.494 1.00 1.72 H ATOM 237 N GLY A 19 12.160 -4.611 -3.208 1.00 1.65 N ATOM 238 CA GLY A 19 10.751 -4.547 -2.821 1.00 1.65 C ATOM 239 C GLY A 19 9.982 -3.506 -3.624 1.00 1.65 C ATOM 240 O GLY A 19 8.845 -3.163 -3.288 1.00 1.65 O ATOM 241 H GLY A 19 12.449 -5.279 -3.907 1.00 1.65 H ATOM 242 1HA GLY A 19 10.292 -5.526 -2.961 1.00 1.65 H ATOM 243 2HA GLY A 19 10.678 -4.312 -1.760 1.00 1.65 H ATOM 244 N CYS A 20 10.621 -2.964 -4.664 1.00 1.51 N ATOM 245 CA CYS A 20 9.982 -1.940 -5.477 1.00 1.51 C ATOM 246 C CYS A 20 9.332 -2.432 -6.772 1.00 1.51 C ATOM 247 O CYS A 20 9.723 -3.460 -7.335 1.00 1.51 O ATOM 248 CB CYS A 20 10.999 -0.860 -5.819 1.00 1.51 C ATOM 249 SG CYS A 20 12.381 -1.395 -6.839 1.00 1.51 S ATOM 250 H CYS A 20 11.553 -3.271 -4.886 1.00 1.51 H ATOM 251 HA CYS A 20 9.213 -1.486 -4.874 1.00 1.51 H ATOM 252 1HB CYS A 20 10.486 -0.081 -6.338 1.00 1.51 H ATOM 253 2HB CYS A 20 11.402 -0.432 -4.907 1.00 1.51 H ATOM 254 HG CYS A 20 11.682 -1.521 -7.970 1.00 1.51 H ATOM 255 N SER A 21 8.392 -1.626 -7.275 1.00 1.35 N ATOM 256 CA SER A 21 7.713 -1.842 -8.555 1.00 1.35 C ATOM 257 C SER A 21 7.074 -0.538 -9.052 1.00 1.35 C ATOM 258 O SER A 21 6.959 0.429 -8.304 1.00 1.35 O ATOM 259 CB SER A 21 6.650 -2.921 -8.418 1.00 1.35 C ATOM 260 OG SER A 21 5.596 -2.484 -7.612 1.00 1.35 O ATOM 261 H SER A 21 8.113 -0.834 -6.698 1.00 1.35 H ATOM 262 HA SER A 21 8.451 -2.163 -9.292 1.00 1.35 H ATOM 263 1HB SER A 21 6.270 -3.181 -9.405 1.00 1.35 H ATOM 264 2HB SER A 21 7.092 -3.820 -7.991 1.00 1.35 H ATOM 265 HG SER A 21 5.326 -1.636 -7.979 1.00 1.35 H ATOM 266 N CYS A 22 6.627 -0.505 -10.306 1.00 1.19 N ATOM 267 CA CYS A 22 5.969 0.712 -10.797 1.00 1.19 C ATOM 268 C CYS A 22 4.451 0.635 -10.868 1.00 1.19 C ATOM 269 O CYS A 22 3.882 -0.414 -11.177 1.00 1.19 O ATOM 270 CB CYS A 22 6.450 1.046 -12.207 1.00 1.19 C ATOM 271 SG CYS A 22 8.211 1.443 -12.345 1.00 1.19 S ATOM 272 H CYS A 22 6.731 -1.307 -10.910 1.00 1.19 H ATOM 273 HA CYS A 22 6.230 1.538 -10.140 1.00 1.19 H ATOM 274 1HB CYS A 22 6.239 0.209 -12.870 1.00 1.19 H ATOM 275 2HB CYS A 22 5.879 1.905 -12.579 1.00 1.19 H ATOM 276 N LYS A 23 3.822 1.793 -10.662 1.00 1.07 N ATOM 277 CA LYS A 23 2.392 1.991 -10.879 1.00 1.07 C ATOM 278 C LYS A 23 2.294 3.216 -11.782 1.00 1.07 C ATOM 279 O LYS A 23 2.870 4.267 -11.479 1.00 1.07 O ATOM 280 CB LYS A 23 1.634 2.242 -9.570 1.00 1.07 C ATOM 281 CG LYS A 23 1.701 1.113 -8.545 1.00 1.07 C ATOM 282 CD LYS A 23 0.870 1.445 -7.304 1.00 1.07 C ATOM 283 CE LYS A 23 0.967 0.348 -6.255 1.00 1.07 C ATOM 284 NZ LYS A 23 0.127 0.644 -5.063 1.00 1.07 N ATOM 285 H LYS A 23 4.378 2.590 -10.348 1.00 1.07 H ATOM 286 HA LYS A 23 1.970 1.132 -11.400 1.00 1.07 H ATOM 287 1HB LYS A 23 2.013 3.135 -9.109 1.00 1.07 H ATOM 288 2HB LYS A 23 0.583 2.420 -9.796 1.00 1.07 H ATOM 289 1HG LYS A 23 1.332 0.188 -8.992 1.00 1.07 H ATOM 290 2HG LYS A 23 2.738 0.962 -8.241 1.00 1.07 H ATOM 291 1HD LYS A 23 1.222 2.381 -6.869 1.00 1.07 H ATOM 292 2HD LYS A 23 -0.174 1.568 -7.590 1.00 1.07 H ATOM 293 1HE LYS A 23 0.643 -0.596 -6.692 1.00 1.07 H ATOM 294 2HE LYS A 23 2.007 0.253 -5.937 1.00 1.07 H ATOM 295 1HZ LYS A 23 0.222 -0.105 -4.391 1.00 1.07 H ATOM 296 2HZ LYS A 23 0.429 1.515 -4.645 1.00 1.07 H ATOM 297 3HZ LYS A 23 -0.839 0.724 -5.342 1.00 1.07 H ATOM 298 N SER A 24 1.559 3.120 -12.878 1.00 0.99 N ATOM 299 CA SER A 24 1.509 4.234 -13.828 1.00 0.99 C ATOM 300 C SER A 24 2.931 4.834 -14.084 1.00 0.99 C ATOM 301 O SER A 24 3.709 4.255 -14.839 1.00 0.99 O ATOM 302 CB SER A 24 0.518 5.301 -13.354 1.00 0.99 C ATOM 303 OG SER A 24 0.952 5.908 -12.173 1.00 0.99 O ATOM 304 H SER A 24 1.070 2.260 -13.082 1.00 0.99 H ATOM 305 HA SER A 24 1.140 3.849 -14.780 1.00 0.99 H ATOM 306 1HB SER A 24 0.432 6.059 -14.133 1.00 0.99 H ATOM 307 2HB SER A 24 -0.470 4.867 -13.209 1.00 0.99 H ATOM 308 HG SER A 24 1.877 5.635 -12.049 1.00 0.99 H ATOM 309 N LYS A 25 3.233 6.006 -13.504 1.00 0.94 N ATOM 310 CA LYS A 25 4.494 6.724 -13.738 1.00 0.94 C ATOM 311 C LYS A 25 5.426 6.851 -12.521 1.00 0.94 C ATOM 312 O LYS A 25 6.388 7.624 -12.563 1.00 0.94 O ATOM 313 CB LYS A 25 4.193 8.117 -14.289 1.00 0.94 C ATOM 314 CG LYS A 25 3.538 8.112 -15.666 1.00 0.94 C ATOM 315 CD LYS A 25 3.306 9.526 -16.184 1.00 0.94 C ATOM 316 CE LYS A 25 2.693 9.508 -17.576 1.00 0.94 C ATOM 317 NZ LYS A 25 2.437 10.884 -18.088 1.00 0.94 N ATOM 318 H LYS A 25 2.550 6.376 -12.859 1.00 0.94 H ATOM 319 HA LYS A 25 5.048 6.178 -14.505 1.00 0.94 H ATOM 320 1HB LYS A 25 3.525 8.638 -13.602 1.00 0.94 H ATOM 321 2HB LYS A 25 5.112 8.688 -14.343 1.00 0.94 H ATOM 322 1HG LYS A 25 4.184 7.576 -16.367 1.00 0.94 H ATOM 323 2HG LYS A 25 2.583 7.592 -15.612 1.00 0.94 H ATOM 324 1HD LYS A 25 2.630 10.051 -15.508 1.00 0.94 H ATOM 325 2HD LYS A 25 4.245 10.070 -16.220 1.00 0.94 H ATOM 326 1HE LYS A 25 3.373 8.999 -18.257 1.00 0.94 H ATOM 327 2HE LYS A 25 1.749 8.964 -17.545 1.00 0.94 H ATOM 328 1HZ LYS A 25 2.032 10.832 -19.012 1.00 0.94 H ATOM 329 2HZ LYS A 25 1.799 11.362 -17.467 1.00 0.94 H ATOM 330 3HZ LYS A 25 3.309 11.394 -18.131 1.00 0.94 H ATOM 331 N VAL A 26 5.113 6.157 -11.425 1.00 0.93 N ATOM 332 CA VAL A 26 5.882 6.256 -10.172 1.00 0.93 C ATOM 333 C VAL A 26 6.275 4.912 -9.522 1.00 0.93 C ATOM 334 O VAL A 26 5.472 3.978 -9.450 1.00 0.93 O ATOM 335 CB VAL A 26 5.090 7.114 -9.140 1.00 0.93 C ATOM 336 CG1 VAL A 26 5.831 7.170 -7.785 1.00 0.93 C ATOM 337 CG2 VAL A 26 4.899 8.529 -9.670 1.00 0.93 C ATOM 338 H VAL A 26 4.317 5.526 -11.463 1.00 0.93 H ATOM 339 HA VAL A 26 6.809 6.785 -10.394 1.00 0.93 H ATOM 340 HB VAL A 26 4.127 6.669 -8.979 1.00 0.93 H ATOM 341 1HG1 VAL A 26 5.252 7.769 -7.082 1.00 0.93 H ATOM 342 2HG1 VAL A 26 5.951 6.171 -7.378 1.00 0.93 H ATOM 343 3HG1 VAL A 26 6.813 7.622 -7.922 1.00 0.93 H ATOM 344 1HG2 VAL A 26 4.338 9.112 -8.938 1.00 0.93 H ATOM 345 2HG2 VAL A 26 5.875 8.988 -9.832 1.00 0.93 H ATOM 346 3HG2 VAL A 26 4.348 8.512 -10.603 1.00 0.93 H ATOM 347 N CYS A 27 7.529 4.823 -9.065 1.00 0.96 N ATOM 348 CA CYS A 27 8.043 3.679 -8.309 1.00 0.96 C ATOM 349 C CYS A 27 7.611 3.653 -6.842 1.00 0.96 C ATOM 350 O CYS A 27 7.819 4.633 -6.125 1.00 0.96 O ATOM 351 CB CYS A 27 9.541 3.718 -8.318 1.00 0.96 C ATOM 352 SG CYS A 27 10.343 2.496 -7.343 1.00 0.96 S ATOM 353 H CYS A 27 8.189 5.586 -9.228 1.00 0.96 H ATOM 354 HA CYS A 27 7.706 2.770 -8.796 1.00 0.96 H ATOM 355 1HB CYS A 27 9.911 3.646 -9.341 1.00 0.96 H ATOM 356 2HB CYS A 27 9.842 4.673 -7.932 1.00 0.96 H ATOM 357 N TYR A 28 7.047 2.527 -6.402 1.00 1.03 N ATOM 358 CA TYR A 28 6.595 2.324 -5.023 1.00 1.03 C ATOM 359 C TYR A 28 7.177 1.051 -4.399 1.00 1.03 C ATOM 360 O TYR A 28 7.512 0.102 -5.106 1.00 1.03 O ATOM 361 CB TYR A 28 5.061 2.216 -4.943 1.00 1.03 C ATOM 362 CG TYR A 28 4.306 3.440 -5.387 1.00 1.03 C ATOM 363 CD1 TYR A 28 4.018 3.621 -6.712 1.00 1.03 C ATOM 364 CD2 TYR A 28 3.880 4.367 -4.462 1.00 1.03 C ATOM 365 CE1 TYR A 28 3.317 4.724 -7.114 1.00 1.03 C ATOM 366 CE2 TYR A 28 3.182 5.479 -4.862 1.00 1.03 C ATOM 367 CZ TYR A 28 2.900 5.659 -6.190 1.00 1.03 C ATOM 368 OH TYR A 28 2.192 6.764 -6.609 1.00 1.03 O ATOM 369 H TYR A 28 6.930 1.770 -7.068 1.00 1.03 H ATOM 370 HA TYR A 28 6.933 3.168 -4.434 1.00 1.03 H ATOM 371 1HB TYR A 28 4.731 1.375 -5.558 1.00 1.03 H ATOM 372 2HB TYR A 28 4.774 1.998 -3.911 1.00 1.03 H ATOM 373 HD1 TYR A 28 4.348 2.885 -7.448 1.00 1.03 H ATOM 374 HD2 TYR A 28 4.089 4.216 -3.422 1.00 1.03 H ATOM 375 HE1 TYR A 28 3.093 4.860 -8.167 1.00 1.03 H ATOM 376 HE2 TYR A 28 2.848 6.210 -4.126 1.00 1.03 H ATOM 377 HH TYR A 28 2.056 6.714 -7.562 1.00 1.03 H ATOM 378 N LYS A 29 7.276 1.019 -3.069 1.00 1.13 N ATOM 379 CA LYS A 29 7.675 -0.185 -2.339 1.00 1.13 C ATOM 380 C LYS A 29 6.556 -0.744 -1.496 1.00 1.13 C ATOM 381 O LYS A 29 5.711 0.019 -1.017 1.00 1.13 O ATOM 382 CB LYS A 29 8.848 0.047 -1.394 1.00 1.13 C ATOM 383 CG LYS A 29 10.164 0.365 -2.031 1.00 1.13 C ATOM 384 CD LYS A 29 11.241 0.387 -0.965 1.00 1.13 C ATOM 385 CE LYS A 29 12.586 0.709 -1.513 1.00 1.13 C ATOM 386 NZ LYS A 29 13.639 0.648 -0.441 1.00 1.13 N ATOM 387 H LYS A 29 7.042 1.853 -2.551 1.00 1.13 H ATOM 388 HA LYS A 29 7.946 -0.948 -3.057 1.00 1.13 H ATOM 389 1HB LYS A 29 8.599 0.880 -0.760 1.00 1.13 H ATOM 390 2HB LYS A 29 8.980 -0.828 -0.758 1.00 1.13 H ATOM 391 1HG LYS A 29 10.406 -0.404 -2.756 1.00 1.13 H ATOM 392 2HG LYS A 29 10.111 1.324 -2.525 1.00 1.13 H ATOM 393 1HD LYS A 29 10.988 1.120 -0.206 1.00 1.13 H ATOM 394 2HD LYS A 29 11.292 -0.598 -0.494 1.00 1.13 H ATOM 395 1HE LYS A 29 12.829 -0.000 -2.302 1.00 1.13 H ATOM 396 2HE LYS A 29 12.564 1.713 -1.930 1.00 1.13 H ATOM 397 1HZ LYS A 29 14.556 0.881 -0.804 1.00 1.13 H ATOM 398 2HZ LYS A 29 13.407 1.299 0.287 1.00 1.13 H ATOM 399 3HZ LYS A 29 13.671 -0.293 -0.054 1.00 1.13 H ATOM 400 N ASN A 30 6.606 -2.073 -1.306 1.00 1.27 N ATOM 401 CA ASN A 30 5.720 -2.894 -0.453 1.00 1.27 C ATOM 402 C ASN A 30 5.710 -4.337 -0.949 1.00 1.27 C ATOM 403 O ASN A 30 6.704 -5.051 -0.805 1.00 1.27 O ATOM 404 OXT ASN A 30 4.746 -4.755 -1.592 1.00 1.27 O ATOM 405 CB ASN A 30 4.284 -2.365 -0.353 1.00 1.27 C ATOM 406 CG ASN A 30 3.428 -3.144 0.628 1.00 1.27 C ATOM 407 OD1 ASN A 30 3.930 -3.656 1.637 1.00 1.27 O ATOM 408 ND2 ASN A 30 2.149 -3.235 0.350 1.00 1.27 N ATOM 409 H ASN A 30 7.350 -2.561 -1.817 1.00 1.27 H ATOM 410 HA ASN A 30 6.138 -2.911 0.555 1.00 1.27 H ATOM 411 1HB ASN A 30 4.274 -1.372 0.041 1.00 1.27 H ATOM 412 2HB ASN A 30 3.807 -2.348 -1.334 1.00 1.27 H ATOM 413 1HD2 ASN A 30 1.536 -3.736 0.964 1.00 1.27 H ATOM 414 2HD2 ASN A 30 1.786 -2.803 -0.474 1.00 1.27 H TER 415 ENDMDL REMARK ID 128520 MODEL 4 2021-09-18_00000196_1_11 PFRMAT TS TARGET 2021-09-18_00000196_1_11 AUTHOR BAKER-ROBETTA METHOD ROSETTA provides both ab initio and METHOD comparative models of protein domains. METHOD Comparative models are built from structures METHOD detected and aligned by HHSEARCH, SPARKS, and METHOD Raptor. Loop regions are assembled from fragments and METHOD optimized to fit the aligned template structures. METHOD De novo models are built using the Rosetta de METHOD novo protocol. The procedure is fully automated. MODEL 4 PARENT N/A REMARK PARENT N/A REMARK PARSRC TrRefineRosetta REMARK SCORE 0.00 ATOM 1 N GLY A 1 4.587 -2.897 -0.460 1.00 5.91 N ATOM 2 CA GLY A 1 3.806 -2.572 -1.651 1.00 5.91 C ATOM 3 C GLY A 1 3.356 -1.117 -1.619 1.00 5.91 C ATOM 4 O GLY A 1 2.232 -0.787 -1.996 1.00 5.91 O ATOM 5 H GLY A 1 4.187 -2.701 0.447 1.00 5.91 H ATOM 6 1HA GLY A 1 4.406 -2.751 -2.543 1.00 5.91 H ATOM 7 2HA GLY A 1 2.937 -3.226 -1.709 1.00 5.91 H ATOM 8 N PHE A 2 4.240 -0.254 -1.148 1.00 4.75 N ATOM 9 CA PHE A 2 3.942 1.168 -1.042 1.00 4.75 C ATOM 10 C PHE A 2 4.145 1.916 -2.362 1.00 4.75 C ATOM 11 O PHE A 2 4.993 1.520 -3.157 1.00 4.75 O ATOM 12 CB PHE A 2 4.834 1.815 0.018 1.00 4.75 C ATOM 13 CG PHE A 2 4.460 1.474 1.422 1.00 4.75 C ATOM 14 CD1 PHE A 2 5.063 0.430 2.089 1.00 4.75 C ATOM 15 CD2 PHE A 2 3.504 2.215 2.084 1.00 4.75 C ATOM 16 CE1 PHE A 2 4.725 0.131 3.386 1.00 4.75 C ATOM 17 CE2 PHE A 2 3.157 1.918 3.382 1.00 4.75 C ATOM 18 CZ PHE A 2 3.772 0.874 4.035 1.00 4.75 C ATOM 19 H PHE A 2 5.142 -0.606 -0.862 1.00 4.75 H ATOM 20 HA PHE A 2 2.912 1.237 -0.711 1.00 4.75 H ATOM 21 1HB PHE A 2 5.864 1.507 -0.145 1.00 4.75 H ATOM 22 2HB PHE A 2 4.806 2.902 -0.092 1.00 4.75 H ATOM 23 HD1 PHE A 2 5.807 -0.161 1.582 1.00 4.75 H ATOM 24 HD2 PHE A 2 3.025 3.045 1.569 1.00 4.75 H ATOM 25 HE1 PHE A 2 5.213 -0.696 3.897 1.00 4.75 H ATOM 26 HE2 PHE A 2 2.405 2.513 3.895 1.00 4.75 H ATOM 27 HZ PHE A 2 3.503 0.641 5.063 1.00 4.75 H ATOM 28 N PRO A 3 3.317 2.931 -2.660 1.00 3.76 N ATOM 29 CA PRO A 3 3.458 3.883 -3.739 1.00 3.76 C ATOM 30 C PRO A 3 4.478 4.905 -3.300 1.00 3.76 C ATOM 31 O PRO A 3 4.789 4.973 -2.112 1.00 3.76 O ATOM 32 CB PRO A 3 2.060 4.480 -3.854 1.00 3.76 C ATOM 33 CG PRO A 3 1.543 4.456 -2.446 1.00 3.76 C ATOM 34 CD PRO A 3 2.097 3.165 -1.847 1.00 3.76 C ATOM 35 HA PRO A 3 3.774 3.364 -4.657 1.00 3.76 H ATOM 36 1HB PRO A 3 2.117 5.494 -4.265 1.00 3.76 H ATOM 37 2HB PRO A 3 1.451 3.882 -4.546 1.00 3.76 H ATOM 38 1HG PRO A 3 1.894 5.350 -1.908 1.00 3.76 H ATOM 39 2HG PRO A 3 0.444 4.493 -2.443 1.00 3.76 H ATOM 40 1HD PRO A 3 2.346 3.360 -0.796 1.00 3.76 H ATOM 41 2HD PRO A 3 1.375 2.338 -1.973 1.00 3.76 H ATOM 42 N CYS A 4 4.953 5.745 -4.210 1.00 3.03 N ATOM 43 CA CYS A 4 5.815 6.832 -3.759 1.00 3.03 C ATOM 44 C CYS A 4 5.043 7.753 -2.818 1.00 3.03 C ATOM 45 O CYS A 4 5.566 8.197 -1.794 1.00 3.03 O ATOM 46 CB CYS A 4 6.325 7.641 -4.949 1.00 3.03 C ATOM 47 SG CYS A 4 7.484 6.764 -6.019 1.00 3.03 S ATOM 48 H CYS A 4 4.724 5.651 -5.188 1.00 3.03 H ATOM 49 HA CYS A 4 6.657 6.410 -3.214 1.00 3.03 H ATOM 50 1HB CYS A 4 5.485 7.966 -5.562 1.00 3.03 H ATOM 51 2HB CYS A 4 6.819 8.530 -4.590 1.00 3.03 H ATOM 52 N GLY A 5 3.786 8.023 -3.170 1.00 2.58 N ATOM 53 CA GLY A 5 2.839 8.802 -2.367 1.00 2.58 C ATOM 54 C GLY A 5 2.728 10.314 -2.631 1.00 2.58 C ATOM 55 O GLY A 5 1.755 10.926 -2.199 1.00 2.58 O ATOM 56 H GLY A 5 3.457 7.634 -4.039 1.00 2.58 H ATOM 57 1HA GLY A 5 1.851 8.361 -2.495 1.00 2.58 H ATOM 58 2HA GLY A 5 3.087 8.654 -1.316 1.00 2.58 H ATOM 59 N GLU A 6 3.703 10.928 -3.304 1.00 2.38 N ATOM 60 CA GLU A 6 3.689 12.373 -3.576 1.00 2.38 C ATOM 61 C GLU A 6 3.503 13.295 -2.346 1.00 2.38 C ATOM 62 O GLU A 6 3.073 14.438 -2.502 1.00 2.38 O ATOM 63 CB GLU A 6 2.626 12.719 -4.629 1.00 2.38 C ATOM 64 CG GLU A 6 2.859 12.052 -5.985 1.00 2.38 C ATOM 65 CD GLU A 6 1.867 12.474 -7.052 1.00 2.38 C ATOM 66 OE1 GLU A 6 0.981 13.240 -6.752 1.00 2.38 O ATOM 67 OE2 GLU A 6 1.998 12.021 -8.167 1.00 2.38 O ATOM 68 H GLU A 6 4.498 10.411 -3.673 1.00 2.38 H ATOM 69 HA GLU A 6 4.647 12.618 -4.023 1.00 2.38 H ATOM 70 1HB GLU A 6 1.640 12.433 -4.274 1.00 2.38 H ATOM 71 2HB GLU A 6 2.615 13.796 -4.786 1.00 2.38 H ATOM 72 1HG GLU A 6 3.868 12.303 -6.322 1.00 2.38 H ATOM 73 2HG GLU A 6 2.811 10.973 -5.856 1.00 2.38 H ATOM 74 N SER A 7 3.843 12.825 -1.136 1.00 2.37 N ATOM 75 CA SER A 7 3.778 13.677 0.048 1.00 2.37 C ATOM 76 C SER A 7 4.483 13.084 1.250 1.00 2.37 C ATOM 77 O SER A 7 4.145 11.983 1.673 1.00 2.37 O ATOM 78 CB SER A 7 2.339 13.900 0.500 1.00 2.37 C ATOM 79 OG SER A 7 2.300 14.744 1.648 1.00 2.37 O ATOM 80 H SER A 7 4.156 11.868 -1.047 1.00 2.37 H ATOM 81 HA SER A 7 4.227 14.635 -0.194 1.00 2.37 H ATOM 82 1HB SER A 7 1.753 14.342 -0.299 1.00 2.37 H ATOM 83 2HB SER A 7 1.893 12.935 0.742 1.00 2.37 H ATOM 84 HG SER A 7 2.344 15.643 1.279 1.00 2.37 H ATOM 85 N CYS A 8 5.317 13.885 1.901 1.00 2.50 N ATOM 86 CA CYS A 8 5.907 13.519 3.186 1.00 2.50 C ATOM 87 C CYS A 8 5.370 14.463 4.248 1.00 2.50 C ATOM 88 O CYS A 8 6.017 14.728 5.262 1.00 2.50 O ATOM 89 CB CYS A 8 7.439 13.589 3.146 1.00 2.50 C ATOM 90 SG CYS A 8 8.228 12.468 1.935 1.00 2.50 S ATOM 91 H CYS A 8 5.582 14.761 1.468 1.00 2.50 H ATOM 92 HA CYS A 8 5.600 12.508 3.447 1.00 2.50 H ATOM 93 1HB CYS A 8 7.746 14.602 2.915 1.00 2.50 H ATOM 94 2HB CYS A 8 7.832 13.347 4.131 1.00 2.50 H ATOM 95 N VAL A 9 4.173 14.988 3.963 1.00 2.72 N ATOM 96 CA VAL A 9 3.445 15.898 4.829 1.00 2.72 C ATOM 97 C VAL A 9 2.315 15.118 5.478 1.00 2.72 C ATOM 98 O VAL A 9 2.114 15.187 6.689 1.00 2.72 O ATOM 99 CB VAL A 9 2.883 17.081 4.023 1.00 2.72 C ATOM 100 CG1 VAL A 9 2.064 17.978 4.925 1.00 2.72 C ATOM 101 CG2 VAL A 9 4.033 17.828 3.373 1.00 2.72 C ATOM 102 H VAL A 9 3.724 14.723 3.092 1.00 2.72 H ATOM 103 HA VAL A 9 4.114 16.273 5.604 1.00 2.72 H ATOM 104 HB VAL A 9 2.214 16.709 3.257 1.00 2.72 H ATOM 105 1HG1 VAL A 9 1.655 18.804 4.345 1.00 2.72 H ATOM 106 2HG1 VAL A 9 1.247 17.402 5.362 1.00 2.72 H ATOM 107 3HG1 VAL A 9 2.697 18.370 5.719 1.00 2.72 H ATOM 108 1HG2 VAL A 9 3.646 18.661 2.788 1.00 2.72 H ATOM 109 2HG2 VAL A 9 4.690 18.203 4.145 1.00 2.72 H ATOM 110 3HG2 VAL A 9 4.581 17.153 2.718 1.00 2.72 H ATOM 111 N TYR A 10 1.580 14.356 4.659 1.00 2.97 N ATOM 112 CA TYR A 10 0.490 13.516 5.159 1.00 2.97 C ATOM 113 C TYR A 10 0.984 12.598 6.278 1.00 2.97 C ATOM 114 O TYR A 10 0.342 12.444 7.317 1.00 2.97 O ATOM 115 CB TYR A 10 -0.107 12.670 4.038 1.00 2.97 C ATOM 116 CG TYR A 10 -1.164 11.705 4.529 1.00 2.97 C ATOM 117 CD1 TYR A 10 -2.464 12.139 4.759 1.00 2.97 C ATOM 118 CD2 TYR A 10 -0.825 10.378 4.761 1.00 2.97 C ATOM 119 CE1 TYR A 10 -3.417 11.246 5.220 1.00 2.97 C ATOM 120 CE2 TYR A 10 -1.775 9.489 5.221 1.00 2.97 C ATOM 121 CZ TYR A 10 -3.067 9.917 5.447 1.00 2.97 C ATOM 122 OH TYR A 10 -4.016 9.028 5.907 1.00 2.97 O ATOM 123 H TYR A 10 1.790 14.357 3.660 1.00 2.97 H ATOM 124 HA TYR A 10 -0.285 14.161 5.571 1.00 2.97 H ATOM 125 1HB TYR A 10 -0.553 13.319 3.285 1.00 2.97 H ATOM 126 2HB TYR A 10 0.683 12.099 3.551 1.00 2.97 H ATOM 127 HD1 TYR A 10 -2.730 13.181 4.582 1.00 2.97 H ATOM 128 HD2 TYR A 10 0.199 10.041 4.585 1.00 2.97 H ATOM 129 HE1 TYR A 10 -4.436 11.584 5.401 1.00 2.97 H ATOM 130 HE2 TYR A 10 -1.505 8.448 5.402 1.00 2.97 H ATOM 131 HH TYR A 10 -4.851 9.486 6.027 1.00 2.97 H ATOM 132 N GLY A 11 2.119 11.966 6.024 1.00 3.25 N ATOM 133 CA GLY A 11 2.733 11.026 6.937 1.00 3.25 C ATOM 134 C GLY A 11 4.079 10.602 6.358 1.00 3.25 C ATOM 135 O GLY A 11 4.522 11.176 5.370 1.00 3.25 O ATOM 136 H GLY A 11 2.576 12.159 5.147 1.00 3.25 H ATOM 137 1HA GLY A 11 2.867 11.509 7.904 1.00 3.25 H ATOM 138 2HA GLY A 11 2.081 10.165 7.068 1.00 3.25 H ATOM 139 N PRO A 12 4.760 9.632 6.975 1.00 3.61 N ATOM 140 CA PRO A 12 6.074 9.140 6.600 1.00 3.61 C ATOM 141 C PRO A 12 6.119 8.603 5.180 1.00 3.61 C ATOM 142 O PRO A 12 5.158 7.998 4.704 1.00 3.61 O ATOM 143 CB PRO A 12 6.290 7.990 7.592 1.00 3.61 C ATOM 144 CG PRO A 12 5.413 8.331 8.776 1.00 3.61 C ATOM 145 CD PRO A 12 4.192 8.985 8.172 1.00 3.61 C ATOM 146 HA PRO A 12 6.818 9.936 6.738 1.00 3.61 H ATOM 147 1HB PRO A 12 6.024 7.033 7.113 1.00 3.61 H ATOM 148 2HB PRO A 12 7.355 7.923 7.856 1.00 3.61 H ATOM 149 1HG PRO A 12 5.170 7.418 9.342 1.00 3.61 H ATOM 150 2HG PRO A 12 5.953 8.997 9.465 1.00 3.61 H ATOM 151 1HD PRO A 12 3.450 8.227 7.885 1.00 3.61 H ATOM 152 2HD PRO A 12 3.794 9.712 8.887 1.00 3.61 H ATOM 153 N CYS A 13 7.260 8.800 4.532 1.00 4.09 N ATOM 154 CA CYS A 13 7.493 8.266 3.200 1.00 4.09 C ATOM 155 C CYS A 13 8.238 6.950 3.324 1.00 4.09 C ATOM 156 O CYS A 13 8.964 6.737 4.294 1.00 4.09 O ATOM 157 CB CYS A 13 8.219 9.292 2.333 1.00 4.09 C ATOM 158 SG CYS A 13 7.138 10.708 1.979 1.00 4.09 S ATOM 159 H CYS A 13 7.996 9.324 4.979 1.00 4.09 H ATOM 160 HA CYS A 13 6.530 8.071 2.729 1.00 4.09 H ATOM 161 1HB CYS A 13 9.111 9.652 2.836 1.00 4.09 H ATOM 162 2HB CYS A 13 8.520 8.838 1.384 1.00 4.09 H ATOM 163 N PHE A 14 8.063 6.073 2.341 1.00 4.68 N ATOM 164 CA PHE A 14 8.689 4.761 2.399 1.00 4.68 C ATOM 165 C PHE A 14 9.682 4.504 1.286 1.00 4.68 C ATOM 166 O PHE A 14 9.471 4.888 0.136 1.00 4.68 O ATOM 167 CB PHE A 14 7.585 3.701 2.355 1.00 4.68 C ATOM 168 CG PHE A 14 6.699 3.772 3.550 1.00 4.68 C ATOM 169 CD1 PHE A 14 5.629 4.654 3.580 1.00 4.68 C ATOM 170 CD2 PHE A 14 6.927 2.970 4.647 1.00 4.68 C ATOM 171 CE1 PHE A 14 4.816 4.740 4.688 1.00 4.68 C ATOM 172 CE2 PHE A 14 6.110 3.047 5.757 1.00 4.68 C ATOM 173 CZ PHE A 14 5.054 3.938 5.777 1.00 4.68 C ATOM 174 H PHE A 14 7.466 6.314 1.561 1.00 4.68 H ATOM 175 HA PHE A 14 9.218 4.675 3.348 1.00 4.68 H ATOM 176 1HB PHE A 14 6.972 3.836 1.463 1.00 4.68 H ATOM 177 2HB PHE A 14 8.020 2.710 2.313 1.00 4.68 H ATOM 178 HD1 PHE A 14 5.437 5.293 2.718 1.00 4.68 H ATOM 179 HD2 PHE A 14 7.762 2.272 4.630 1.00 4.68 H ATOM 180 HE1 PHE A 14 3.985 5.447 4.698 1.00 4.68 H ATOM 181 HE2 PHE A 14 6.300 2.409 6.617 1.00 4.68 H ATOM 182 HZ PHE A 14 4.411 4.001 6.652 1.00 4.68 H ATOM 183 N THR A 15 10.730 3.759 1.624 1.00 5.27 N ATOM 184 CA THR A 15 11.746 3.344 0.667 1.00 5.27 C ATOM 185 C THR A 15 11.323 2.042 0.002 1.00 5.27 C ATOM 186 O THR A 15 11.869 1.630 -1.014 1.00 5.27 O ATOM 187 CB THR A 15 13.107 3.181 1.366 1.00 5.27 C ATOM 188 OG1 THR A 15 13.012 2.165 2.378 1.00 5.27 O ATOM 189 CG2 THR A 15 13.511 4.493 2.016 1.00 5.27 C ATOM 190 H THR A 15 10.841 3.493 2.594 1.00 5.27 H ATOM 191 HA THR A 15 11.837 4.110 -0.105 1.00 5.27 H ATOM 192 HB THR A 15 13.862 2.892 0.637 1.00 5.27 H ATOM 193 HG1 THR A 15 12.943 1.302 1.962 1.00 5.27 H ATOM 194 1HG2 THR A 15 14.475 4.371 2.510 1.00 5.27 H ATOM 195 2HG2 THR A 15 13.589 5.267 1.252 1.00 5.27 H ATOM 196 3HG2 THR A 15 12.760 4.783 2.750 1.00 5.27 H ATOM 197 N ALA A 16 10.283 1.434 0.563 1.00 5.67 N ATOM 198 CA ALA A 16 9.701 0.180 0.100 1.00 5.67 C ATOM 199 C ALA A 16 9.223 0.295 -1.341 1.00 5.67 C ATOM 200 O ALA A 16 9.214 -0.683 -2.082 1.00 5.67 O ATOM 201 CB ALA A 16 8.541 -0.193 0.993 1.00 5.67 C ATOM 202 H ALA A 16 9.892 1.865 1.383 1.00 5.67 H ATOM 203 HA ALA A 16 10.468 -0.594 0.142 1.00 5.67 H ATOM 204 1HB ALA A 16 8.109 -1.137 0.660 1.00 5.67 H ATOM 205 2HB ALA A 16 8.885 -0.294 2.023 1.00 5.67 H ATOM 206 3HB ALA A 16 7.804 0.591 0.932 1.00 5.67 H ATOM 207 N ALA A 17 8.798 1.499 -1.714 1.00 5.69 N ATOM 208 CA ALA A 17 8.308 1.823 -3.046 1.00 5.69 C ATOM 209 C ALA A 17 9.417 1.704 -4.116 1.00 5.69 C ATOM 210 O ALA A 17 9.138 1.603 -5.315 1.00 5.69 O ATOM 211 CB ALA A 17 7.722 3.218 -3.017 1.00 5.69 C ATOM 212 H ALA A 17 8.833 2.249 -1.038 1.00 5.69 H ATOM 213 HA ALA A 17 7.522 1.112 -3.303 1.00 5.69 H ATOM 214 1HB ALA A 17 7.318 3.466 -3.995 1.00 5.69 H ATOM 215 2HB ALA A 17 6.925 3.265 -2.277 1.00 5.69 H ATOM 216 3HB ALA A 17 8.503 3.923 -2.748 1.00 5.69 H ATOM 217 N ILE A 18 10.684 1.761 -3.677 1.00 5.29 N ATOM 218 CA ILE A 18 11.897 1.673 -4.499 1.00 5.29 C ATOM 219 C ILE A 18 12.081 2.776 -5.545 1.00 5.29 C ATOM 220 O ILE A 18 13.000 3.592 -5.463 1.00 5.29 O ATOM 221 CB ILE A 18 11.988 0.306 -5.221 1.00 5.29 C ATOM 222 CG1 ILE A 18 11.983 -0.834 -4.202 1.00 5.29 C ATOM 223 CG2 ILE A 18 13.261 0.236 -6.062 1.00 5.29 C ATOM 224 CD1 ILE A 18 13.125 -0.785 -3.229 1.00 5.29 C ATOM 225 H ILE A 18 10.847 1.824 -2.678 1.00 5.29 H ATOM 226 HA ILE A 18 12.744 1.732 -3.815 1.00 5.29 H ATOM 227 HB ILE A 18 11.128 0.171 -5.870 1.00 5.29 H ATOM 228 1HG1 ILE A 18 11.062 -0.798 -3.647 1.00 5.29 H ATOM 229 2HG1 ILE A 18 12.026 -1.783 -4.734 1.00 5.29 H ATOM 230 1HG2 ILE A 18 13.308 -0.729 -6.564 1.00 5.29 H ATOM 231 2HG2 ILE A 18 13.265 1.026 -6.805 1.00 5.29 H ATOM 232 3HG2 ILE A 18 14.127 0.350 -5.411 1.00 5.29 H ATOM 233 1HD1 ILE A 18 13.048 -1.622 -2.536 1.00 5.29 H ATOM 234 2HD1 ILE A 18 14.068 -0.843 -3.766 1.00 5.29 H ATOM 235 3HD1 ILE A 18 13.081 0.148 -2.672 1.00 5.29 H ATOM 236 N GLY A 19 11.216 2.796 -6.550 1.00 4.62 N ATOM 237 CA GLY A 19 11.355 3.702 -7.694 1.00 4.62 C ATOM 238 C GLY A 19 10.886 5.120 -7.416 1.00 4.62 C ATOM 239 O GLY A 19 9.963 5.606 -8.070 1.00 4.62 O ATOM 240 H GLY A 19 10.435 2.148 -6.500 1.00 4.62 H ATOM 241 1HA GLY A 19 12.399 3.730 -8.003 1.00 4.62 H ATOM 242 2HA GLY A 19 10.791 3.300 -8.534 1.00 4.62 H ATOM 243 N CYS A 20 11.495 5.766 -6.425 1.00 3.92 N ATOM 244 CA CYS A 20 11.066 7.110 -6.058 1.00 3.92 C ATOM 245 C CYS A 20 12.200 8.106 -5.863 1.00 3.92 C ATOM 246 O CYS A 20 13.340 7.738 -5.575 1.00 3.92 O ATOM 247 CB CYS A 20 10.266 7.065 -4.764 1.00 3.92 C ATOM 248 SG CYS A 20 8.897 5.926 -4.822 1.00 3.92 S ATOM 249 H CYS A 20 12.254 5.286 -5.943 1.00 3.92 H ATOM 250 HA CYS A 20 10.428 7.474 -6.852 1.00 3.92 H ATOM 251 1HB CYS A 20 10.916 6.777 -3.941 1.00 3.92 H ATOM 252 2HB CYS A 20 9.875 8.063 -4.544 1.00 3.92 H ATOM 253 N SER A 21 11.834 9.382 -5.915 1.00 3.34 N ATOM 254 CA SER A 21 12.726 10.497 -5.609 1.00 3.34 C ATOM 255 C SER A 21 11.934 11.548 -4.852 1.00 3.34 C ATOM 256 O SER A 21 10.895 12.009 -5.331 1.00 3.34 O ATOM 257 CB SER A 21 13.306 11.080 -6.881 1.00 3.34 C ATOM 258 OG SER A 21 14.128 12.176 -6.603 1.00 3.34 O ATOM 259 H SER A 21 10.880 9.578 -6.216 1.00 3.34 H ATOM 260 HA SER A 21 13.537 10.143 -4.970 1.00 3.34 H ATOM 261 1HB SER A 21 13.881 10.312 -7.403 1.00 3.34 H ATOM 262 2HB SER A 21 12.494 11.388 -7.538 1.00 3.34 H ATOM 263 HG SER A 21 14.735 11.882 -5.918 1.00 3.34 H ATOM 264 N CYS A 22 12.388 11.906 -3.653 1.00 2.93 N ATOM 265 CA CYS A 22 11.606 12.824 -2.836 1.00 2.93 C ATOM 266 C CYS A 22 12.263 14.192 -2.706 1.00 2.93 C ATOM 267 O CYS A 22 13.389 14.312 -2.224 1.00 2.93 O ATOM 268 CB CYS A 22 11.377 12.215 -1.455 1.00 2.93 C ATOM 269 SG CYS A 22 10.553 10.578 -1.511 1.00 2.93 S ATOM 270 H CYS A 22 13.253 11.527 -3.294 1.00 2.93 H ATOM 271 HA CYS A 22 10.648 12.962 -3.307 1.00 2.93 H ATOM 272 1HB CYS A 22 12.327 12.099 -0.941 1.00 2.93 H ATOM 273 2HB CYS A 22 10.756 12.886 -0.860 1.00 2.93 H ATOM 274 N LYS A 23 11.542 15.218 -3.165 1.00 2.65 N ATOM 275 CA LYS A 23 12.025 16.599 -3.173 1.00 2.65 C ATOM 276 C LYS A 23 10.956 17.535 -2.638 1.00 2.65 C ATOM 277 O LYS A 23 9.790 17.390 -2.985 1.00 2.65 O ATOM 278 CB LYS A 23 12.400 17.026 -4.595 1.00 2.65 C ATOM 279 CG LYS A 23 13.549 16.237 -5.216 1.00 2.65 C ATOM 280 CD LYS A 23 13.909 16.770 -6.600 1.00 2.65 C ATOM 281 CE LYS A 23 15.055 15.971 -7.213 1.00 2.65 C ATOM 282 NZ LYS A 23 15.418 16.467 -8.570 1.00 2.65 N ATOM 283 H LYS A 23 10.610 15.006 -3.529 1.00 2.65 H ATOM 284 HA LYS A 23 12.900 16.674 -2.527 1.00 2.65 H ATOM 285 1HB LYS A 23 11.530 16.913 -5.243 1.00 2.65 H ATOM 286 2HB LYS A 23 12.674 18.082 -4.597 1.00 2.65 H ATOM 287 1HG LYS A 23 14.422 16.287 -4.565 1.00 2.65 H ATOM 288 2HG LYS A 23 13.252 15.191 -5.318 1.00 2.65 H ATOM 289 1HD LYS A 23 13.040 16.702 -7.254 1.00 2.65 H ATOM 290 2HD LYS A 23 14.206 17.815 -6.521 1.00 2.65 H ATOM 291 1HE LYS A 23 15.927 16.047 -6.564 1.00 2.65 H ATOM 292 2HE LYS A 23 14.759 14.924 -7.285 1.00 2.65 H ATOM 293 1HZ LYS A 23 16.177 15.911 -8.937 1.00 2.65 H ATOM 294 2HZ LYS A 23 14.617 16.388 -9.179 1.00 2.65 H ATOM 295 3HZ LYS A 23 15.705 17.434 -8.514 1.00 2.65 H ATOM 296 N SER A 24 11.329 18.489 -1.787 1.00 2.49 N ATOM 297 CA SER A 24 10.356 19.432 -1.212 1.00 2.49 C ATOM 298 C SER A 24 9.144 18.694 -0.621 1.00 2.49 C ATOM 299 O SER A 24 8.003 19.132 -0.760 1.00 2.49 O ATOM 300 CB SER A 24 9.891 20.419 -2.266 1.00 2.49 C ATOM 301 OG SER A 24 10.971 21.162 -2.770 1.00 2.49 O ATOM 302 H SER A 24 12.306 18.570 -1.534 1.00 2.49 H ATOM 303 HA SER A 24 10.844 19.985 -0.408 1.00 2.49 H ATOM 304 1HB SER A 24 9.394 19.892 -3.079 1.00 2.49 H ATOM 305 2HB SER A 24 9.160 21.094 -1.825 1.00 2.49 H ATOM 306 HG SER A 24 10.590 21.794 -3.385 1.00 2.49 H ATOM 307 N LYS A 25 9.423 17.572 0.046 1.00 2.40 N ATOM 308 CA LYS A 25 8.439 16.680 0.661 1.00 2.40 C ATOM 309 C LYS A 25 7.448 16.046 -0.323 1.00 2.40 C ATOM 310 O LYS A 25 6.378 15.598 0.087 1.00 2.40 O ATOM 311 CB LYS A 25 7.655 17.399 1.766 1.00 2.40 C ATOM 312 CG LYS A 25 8.515 17.923 2.903 1.00 2.40 C ATOM 313 CD LYS A 25 7.662 18.493 4.025 1.00 2.40 C ATOM 314 CE LYS A 25 8.522 19.060 5.142 1.00 2.40 C ATOM 315 NZ LYS A 25 7.702 19.666 6.228 1.00 2.40 N ATOM 316 H LYS A 25 10.396 17.315 0.110 1.00 2.40 H ATOM 317 HA LYS A 25 8.989 15.863 1.126 1.00 2.40 H ATOM 318 1HB LYS A 25 7.091 18.231 1.350 1.00 2.40 H ATOM 319 2HB LYS A 25 6.934 16.714 2.193 1.00 2.40 H ATOM 320 1HG LYS A 25 9.122 17.109 3.300 1.00 2.40 H ATOM 321 2HG LYS A 25 9.177 18.702 2.531 1.00 2.40 H ATOM 322 1HD LYS A 25 7.009 19.276 3.634 1.00 2.40 H ATOM 323 2HD LYS A 25 7.039 17.693 4.438 1.00 2.40 H ATOM 324 1HE LYS A 25 9.127 18.259 5.563 1.00 2.40 H ATOM 325 2HE LYS A 25 9.182 19.824 4.731 1.00 2.40 H ATOM 326 1HZ LYS A 25 8.312 20.028 6.949 1.00 2.40 H ATOM 327 2HZ LYS A 25 7.144 20.419 5.850 1.00 2.40 H ATOM 328 3HZ LYS A 25 7.095 18.960 6.622 1.00 2.40 H ATOM 329 N VAL A 26 7.817 15.929 -1.596 1.00 2.38 N ATOM 330 CA VAL A 26 6.983 15.236 -2.572 1.00 2.38 C ATOM 331 C VAL A 26 7.747 14.092 -3.212 1.00 2.38 C ATOM 332 O VAL A 26 8.826 14.293 -3.771 1.00 2.38 O ATOM 333 CB VAL A 26 6.519 16.197 -3.679 1.00 2.38 C ATOM 334 CG1 VAL A 26 5.694 15.441 -4.713 1.00 2.38 C ATOM 335 CG2 VAL A 26 5.707 17.307 -3.070 1.00 2.38 C ATOM 336 H VAL A 26 8.675 16.364 -1.917 1.00 2.38 H ATOM 337 HA VAL A 26 6.107 14.832 -2.067 1.00 2.38 H ATOM 338 HB VAL A 26 7.391 16.613 -4.176 1.00 2.38 H ATOM 339 1HG1 VAL A 26 5.377 16.127 -5.495 1.00 2.38 H ATOM 340 2HG1 VAL A 26 6.285 14.641 -5.152 1.00 2.38 H ATOM 341 3HG1 VAL A 26 4.826 15.027 -4.240 1.00 2.38 H ATOM 342 1HG2 VAL A 26 5.384 17.989 -3.852 1.00 2.38 H ATOM 343 2HG2 VAL A 26 4.833 16.879 -2.570 1.00 2.38 H ATOM 344 3HG2 VAL A 26 6.313 17.849 -2.345 1.00 2.38 H ATOM 345 N CYS A 27 7.196 12.885 -3.134 1.00 2.42 N ATOM 346 CA CYS A 27 7.860 11.718 -3.703 1.00 2.42 C ATOM 347 C CYS A 27 7.320 11.344 -5.066 1.00 2.42 C ATOM 348 O CYS A 27 6.164 10.928 -5.203 1.00 2.42 O ATOM 349 CB CYS A 27 7.756 10.564 -2.748 1.00 2.42 C ATOM 350 SG CYS A 27 8.564 10.902 -1.222 1.00 2.42 S ATOM 351 H CYS A 27 6.316 12.778 -2.650 1.00 2.42 H ATOM 352 HA CYS A 27 8.901 11.937 -3.834 1.00 2.42 H ATOM 353 1HB CYS A 27 6.714 10.347 -2.539 1.00 2.42 H ATOM 354 2HB CYS A 27 8.208 9.676 -3.181 1.00 2.42 H ATOM 355 N TYR A 28 8.190 11.494 -6.060 1.00 2.52 N ATOM 356 CA TYR A 28 7.877 11.306 -7.465 1.00 2.52 C ATOM 357 C TYR A 28 8.360 9.956 -7.966 1.00 2.52 C ATOM 358 O TYR A 28 9.405 9.464 -7.538 1.00 2.52 O ATOM 359 CB TYR A 28 8.580 12.377 -8.291 1.00 2.52 C ATOM 360 CG TYR A 28 8.159 13.799 -8.028 1.00 2.52 C ATOM 361 CD1 TYR A 28 8.819 14.530 -7.046 1.00 2.52 C ATOM 362 CD2 TYR A 28 7.142 14.382 -8.760 1.00 2.52 C ATOM 363 CE1 TYR A 28 8.470 15.839 -6.807 1.00 2.52 C ATOM 364 CE2 TYR A 28 6.786 15.697 -8.520 1.00 2.52 C ATOM 365 CZ TYR A 28 7.445 16.426 -7.550 1.00 2.52 C ATOM 366 OH TYR A 28 7.091 17.738 -7.317 1.00 2.52 O ATOM 367 H TYR A 28 9.132 11.801 -5.818 1.00 2.52 H ATOM 368 HA TYR A 28 6.796 11.362 -7.598 1.00 2.52 H ATOM 369 1HB TYR A 28 9.653 12.310 -8.099 1.00 2.52 H ATOM 370 2HB TYR A 28 8.426 12.169 -9.349 1.00 2.52 H ATOM 371 HD1 TYR A 28 9.623 14.066 -6.464 1.00 2.52 H ATOM 372 HD2 TYR A 28 6.626 13.807 -9.530 1.00 2.52 H ATOM 373 HE1 TYR A 28 8.994 16.407 -6.036 1.00 2.52 H ATOM 374 HE2 TYR A 28 5.985 16.160 -9.099 1.00 2.52 H ATOM 375 HH TYR A 28 7.592 18.074 -6.569 1.00 2.52 H ATOM 376 N LYS A 29 7.648 9.389 -8.941 1.00 2.66 N ATOM 377 CA LYS A 29 8.042 8.101 -9.528 1.00 2.66 C ATOM 378 C LYS A 29 9.157 8.222 -10.568 1.00 2.66 C ATOM 379 O LYS A 29 8.921 8.061 -11.768 1.00 2.66 O ATOM 380 CB LYS A 29 6.837 7.434 -10.182 1.00 2.66 C ATOM 381 CG LYS A 29 5.731 7.026 -9.227 1.00 2.66 C ATOM 382 CD LYS A 29 4.556 6.433 -9.980 1.00 2.66 C ATOM 383 CE LYS A 29 3.439 6.016 -9.040 1.00 2.66 C ATOM 384 NZ LYS A 29 2.279 5.463 -9.787 1.00 2.66 N ATOM 385 H LYS A 29 6.806 9.840 -9.267 1.00 2.66 H ATOM 386 HA LYS A 29 8.410 7.458 -8.733 1.00 2.66 H ATOM 387 1HB LYS A 29 6.408 8.105 -10.923 1.00 2.66 H ATOM 388 2HB LYS A 29 7.169 6.538 -10.706 1.00 2.66 H ATOM 389 1HG LYS A 29 6.113 6.264 -8.553 1.00 2.66 H ATOM 390 2HG LYS A 29 5.406 7.883 -8.639 1.00 2.66 H ATOM 391 1HD LYS A 29 4.168 7.172 -10.681 1.00 2.66 H ATOM 392 2HD LYS A 29 4.889 5.562 -10.545 1.00 2.66 H ATOM 393 1HE LYS A 29 3.813 5.258 -8.352 1.00 2.66 H ATOM 394 2HE LYS A 29 3.113 6.883 -8.468 1.00 2.66 H ATOM 395 1HZ LYS A 29 1.550 5.197 -9.141 1.00 2.66 H ATOM 396 2HZ LYS A 29 1.924 6.165 -10.422 1.00 2.66 H ATOM 397 3HZ LYS A 29 2.572 4.653 -10.315 1.00 2.66 H ATOM 398 N ASN A 30 10.350 8.531 -10.079 1.00 2.82 N ATOM 399 CA ASN A 30 11.543 8.716 -10.897 1.00 2.82 C ATOM 400 C ASN A 30 12.611 7.662 -10.599 1.00 2.82 C ATOM 401 O ASN A 30 12.319 6.466 -10.541 1.00 2.82 O ATOM 402 OXT ASN A 30 13.795 7.988 -10.673 1.00 2.82 O ATOM 403 CB ASN A 30 12.107 10.115 -10.712 1.00 2.82 C ATOM 404 CG ASN A 30 11.204 11.207 -11.265 1.00 2.82 C ATOM 405 OD1 ASN A 30 10.604 11.056 -12.334 1.00 2.82 O ATOM 406 ND2 ASN A 30 11.112 12.304 -10.561 1.00 2.82 N ATOM 407 H ASN A 30 10.393 8.655 -9.069 1.00 2.82 H ATOM 408 HA ASN A 30 11.263 8.596 -11.944 1.00 2.82 H ATOM 409 1HB ASN A 30 12.255 10.294 -9.651 1.00 2.82 H ATOM 410 2HB ASN A 30 13.080 10.183 -11.194 1.00 2.82 H ATOM 411 1HD2 ASN A 30 10.540 13.060 -10.883 1.00 2.82 H ATOM 412 2HD2 ASN A 30 11.616 12.392 -9.702 1.00 2.82 H TER 413 ENDMDL REMARK ID 128520 MODEL 5 2021-09-18_00000196_1_11 PFRMAT TS TARGET 2021-09-18_00000196_1_11 AUTHOR BAKER-ROBETTA METHOD ROSETTA provides both ab initio and METHOD comparative models of protein domains. METHOD Comparative models are built from structures METHOD detected and aligned by HHSEARCH, SPARKS, and METHOD Raptor. Loop regions are assembled from fragments and METHOD optimized to fit the aligned template structures. METHOD De novo models are built using the Rosetta de METHOD novo protocol. The procedure is fully automated. MODEL 5 PARENT N/A REMARK PARENT N/A REMARK PARSRC TrRefineRosetta REMARK SCORE 0.00 ATOM 1 N GLY A 1 1.985 -0.159 -0.829 1.00 1.09 N ATOM 2 CA GLY A 1 3.266 -0.130 -0.125 1.00 1.09 C ATOM 3 C GLY A 1 3.830 1.286 -0.080 1.00 1.09 C ATOM 4 O GLY A 1 3.668 2.062 -1.024 1.00 1.09 O ATOM 5 H GLY A 1 1.306 0.561 -0.629 1.00 1.09 H ATOM 6 1HA GLY A 1 3.133 -0.500 0.893 1.00 1.09 H ATOM 7 2HA GLY A 1 3.969 -0.798 -0.616 1.00 1.09 H ATOM 8 N PHE A 2 4.452 1.643 1.038 1.00 1.06 N ATOM 9 CA PHE A 2 5.038 2.977 1.174 1.00 1.06 C ATOM 10 C PHE A 2 6.473 2.943 0.634 1.00 1.06 C ATOM 11 O PHE A 2 7.217 2.064 1.032 1.00 1.06 O ATOM 12 CB PHE A 2 5.047 3.424 2.631 1.00 1.06 C ATOM 13 CG PHE A 2 5.538 4.818 2.796 1.00 1.06 C ATOM 14 CD1 PHE A 2 4.708 5.887 2.500 1.00 1.06 C ATOM 15 CD2 PHE A 2 6.825 5.071 3.209 1.00 1.06 C ATOM 16 CE1 PHE A 2 5.160 7.185 2.623 1.00 1.06 C ATOM 17 CE2 PHE A 2 7.283 6.363 3.332 1.00 1.06 C ATOM 18 CZ PHE A 2 6.451 7.422 3.039 1.00 1.06 C ATOM 19 H PHE A 2 4.560 0.941 1.774 1.00 1.06 H ATOM 20 HA PHE A 2 4.424 3.677 0.619 1.00 1.06 H ATOM 21 1HB PHE A 2 4.041 3.363 3.045 1.00 1.06 H ATOM 22 2HB PHE A 2 5.688 2.761 3.217 1.00 1.06 H ATOM 23 HD1 PHE A 2 3.688 5.693 2.165 1.00 1.06 H ATOM 24 HD2 PHE A 2 7.489 4.236 3.428 1.00 1.06 H ATOM 25 HE1 PHE A 2 4.499 8.017 2.390 1.00 1.06 H ATOM 26 HE2 PHE A 2 8.309 6.545 3.652 1.00 1.06 H ATOM 27 HZ PHE A 2 6.814 8.443 3.134 1.00 1.06 H ATOM 28 N PRO A 3 6.922 3.823 -0.265 1.00 1.03 N ATOM 29 CA PRO A 3 8.279 3.795 -0.791 1.00 1.03 C ATOM 30 C PRO A 3 9.303 3.796 0.338 1.00 1.03 C ATOM 31 O PRO A 3 9.182 4.569 1.285 1.00 1.03 O ATOM 32 CB PRO A 3 8.337 5.100 -1.590 1.00 1.03 C ATOM 33 CG PRO A 3 6.905 5.340 -2.016 1.00 1.03 C ATOM 34 CD PRO A 3 6.059 4.869 -0.843 1.00 1.03 C ATOM 35 HA PRO A 3 8.410 2.924 -1.447 1.00 1.03 H ATOM 36 1HB PRO A 3 8.738 5.907 -0.958 1.00 1.03 H ATOM 37 2HB PRO A 3 9.020 4.984 -2.442 1.00 1.03 H ATOM 38 1HG PRO A 3 6.754 6.407 -2.243 1.00 1.03 H ATOM 39 2HG PRO A 3 6.700 4.792 -2.943 1.00 1.03 H ATOM 40 1HD PRO A 3 5.887 5.680 -0.128 1.00 1.03 H ATOM 41 2HD PRO A 3 5.128 4.445 -1.249 1.00 1.03 H ATOM 42 N CYS A 4 10.351 2.977 0.221 1.00 0.99 N ATOM 43 CA CYS A 4 11.363 2.939 1.278 1.00 0.99 C ATOM 44 C CYS A 4 12.515 3.876 0.915 1.00 0.99 C ATOM 45 O CYS A 4 13.434 4.089 1.707 1.00 0.99 O ATOM 46 CB CYS A 4 11.918 1.530 1.497 1.00 0.99 C ATOM 47 SG CYS A 4 13.175 1.006 0.313 1.00 0.99 S ATOM 48 H CYS A 4 10.418 2.349 -0.571 1.00 0.99 H ATOM 49 HA CYS A 4 10.910 3.281 2.207 1.00 0.99 H ATOM 50 1HB CYS A 4 12.351 1.465 2.491 1.00 0.99 H ATOM 51 2HB CYS A 4 11.098 0.812 1.450 1.00 0.99 H ATOM 52 N GLY A 5 12.461 4.398 -0.311 1.00 0.96 N ATOM 53 CA GLY A 5 13.454 5.311 -0.889 1.00 0.96 C ATOM 54 C GLY A 5 14.501 4.652 -1.800 1.00 0.96 C ATOM 55 O GLY A 5 15.179 5.340 -2.563 1.00 0.96 O ATOM 56 H GLY A 5 11.661 4.147 -0.873 1.00 0.96 H ATOM 57 1HA GLY A 5 12.929 6.084 -1.452 1.00 0.96 H ATOM 58 2HA GLY A 5 13.968 5.823 -0.078 1.00 0.96 H ATOM 59 N GLU A 6 14.627 3.335 -1.737 1.00 0.94 N ATOM 60 CA GLU A 6 15.585 2.601 -2.563 1.00 0.94 C ATOM 61 C GLU A 6 14.988 2.189 -3.923 1.00 0.94 C ATOM 62 O GLU A 6 13.806 1.861 -4.041 1.00 0.94 O ATOM 63 CB GLU A 6 16.154 1.381 -1.798 1.00 0.94 C ATOM 64 CG GLU A 6 17.262 0.655 -2.531 1.00 0.94 C ATOM 65 CD GLU A 6 17.937 -0.467 -1.785 1.00 0.94 C ATOM 66 OE1 GLU A 6 17.660 -0.743 -0.631 1.00 0.94 O ATOM 67 OE2 GLU A 6 18.763 -1.085 -2.384 1.00 0.94 O ATOM 68 H GLU A 6 14.046 2.827 -1.084 1.00 0.94 H ATOM 69 HA GLU A 6 16.425 3.265 -2.769 1.00 0.94 H ATOM 70 1HB GLU A 6 16.528 1.696 -0.822 1.00 0.94 H ATOM 71 2HB GLU A 6 15.373 0.659 -1.628 1.00 0.94 H ATOM 72 1HG GLU A 6 16.828 0.218 -3.422 1.00 0.94 H ATOM 73 2HG GLU A 6 18.011 1.379 -2.847 1.00 0.94 H ATOM 74 N SER A 7 15.792 2.267 -4.971 1.00 0.92 N ATOM 75 CA SER A 7 15.365 1.787 -6.286 1.00 0.92 C ATOM 76 C SER A 7 15.721 0.322 -6.431 1.00 0.92 C ATOM 77 O SER A 7 16.758 -0.099 -5.932 1.00 0.92 O ATOM 78 CB SER A 7 16.052 2.554 -7.382 1.00 0.92 C ATOM 79 OG SER A 7 15.773 2.001 -8.637 1.00 0.92 O ATOM 80 H SER A 7 16.738 2.601 -4.842 1.00 0.92 H ATOM 81 HA SER A 7 14.283 1.898 -6.381 1.00 0.92 H ATOM 82 1HB SER A 7 15.725 3.593 -7.359 1.00 0.92 H ATOM 83 2HB SER A 7 17.127 2.546 -7.209 1.00 0.92 H ATOM 84 HG SER A 7 14.835 2.184 -8.796 1.00 0.92 H ATOM 85 N CYS A 8 14.895 -0.440 -7.135 1.00 0.90 N ATOM 86 CA CYS A 8 15.217 -1.842 -7.392 1.00 0.90 C ATOM 87 C CYS A 8 15.449 -2.062 -8.884 1.00 0.90 C ATOM 88 O CYS A 8 15.272 -3.167 -9.395 1.00 0.90 O ATOM 89 CB CYS A 8 14.097 -2.763 -6.907 1.00 0.90 C ATOM 90 SG CYS A 8 13.751 -2.675 -5.122 1.00 0.90 S ATOM 91 H CYS A 8 14.051 -0.054 -7.537 1.00 0.90 H ATOM 92 HA CYS A 8 16.132 -2.097 -6.853 1.00 0.90 H ATOM 93 1HB CYS A 8 13.183 -2.533 -7.434 1.00 0.90 H ATOM 94 2HB CYS A 8 14.361 -3.793 -7.149 1.00 0.90 H ATOM 95 N VAL A 9 15.829 -0.990 -9.603 1.00 0.88 N ATOM 96 CA VAL A 9 16.108 -1.110 -11.041 1.00 0.88 C ATOM 97 C VAL A 9 17.318 -1.987 -11.345 1.00 0.88 C ATOM 98 O VAL A 9 17.288 -2.811 -12.260 1.00 0.88 O ATOM 99 CB VAL A 9 16.367 0.271 -11.678 1.00 0.88 C ATOM 100 CG1 VAL A 9 16.854 0.094 -13.111 1.00 0.88 C ATOM 101 CG2 VAL A 9 15.098 1.092 -11.692 1.00 0.88 C ATOM 102 H VAL A 9 15.921 -0.078 -9.145 1.00 0.88 H ATOM 103 HA VAL A 9 15.236 -1.558 -11.519 1.00 0.88 H ATOM 104 HB VAL A 9 17.136 0.783 -11.103 1.00 0.88 H ATOM 105 1HG1 VAL A 9 17.050 1.070 -13.552 1.00 0.88 H ATOM 106 2HG1 VAL A 9 17.768 -0.494 -13.119 1.00 0.88 H ATOM 107 3HG1 VAL A 9 16.093 -0.421 -13.691 1.00 0.88 H ATOM 108 1HG2 VAL A 9 15.305 2.065 -12.132 1.00 0.88 H ATOM 109 2HG2 VAL A 9 14.356 0.595 -12.280 1.00 0.88 H ATOM 110 3HG2 VAL A 9 14.726 1.223 -10.688 1.00 0.88 H ATOM 111 N TYR A 10 18.395 -1.784 -10.597 1.00 0.88 N ATOM 112 CA TYR A 10 19.617 -2.536 -10.801 1.00 0.88 C ATOM 113 C TYR A 10 19.797 -3.579 -9.706 1.00 0.88 C ATOM 114 O TYR A 10 20.681 -3.458 -8.858 1.00 0.88 O ATOM 115 CB TYR A 10 20.798 -1.577 -10.848 1.00 0.88 C ATOM 116 CG TYR A 10 20.643 -0.553 -11.942 1.00 0.88 C ATOM 117 CD1 TYR A 10 20.196 0.723 -11.629 1.00 0.88 C ATOM 118 CD2 TYR A 10 20.916 -0.891 -13.257 1.00 0.88 C ATOM 119 CE1 TYR A 10 20.027 1.661 -12.624 1.00 0.88 C ATOM 120 CE2 TYR A 10 20.749 0.048 -14.256 1.00 0.88 C ATOM 121 CZ TYR A 10 20.305 1.320 -13.942 1.00 0.88 C ATOM 122 OH TYR A 10 20.137 2.255 -14.937 1.00 0.88 O ATOM 123 H TYR A 10 18.351 -1.102 -9.855 1.00 0.88 H ATOM 124 HA TYR A 10 19.555 -3.064 -11.754 1.00 0.88 H ATOM 125 1HB TYR A 10 20.889 -1.054 -9.892 1.00 0.88 H ATOM 126 2HB TYR A 10 21.721 -2.130 -11.018 1.00 0.88 H ATOM 127 HD1 TYR A 10 19.972 0.983 -10.595 1.00 0.88 H ATOM 128 HD2 TYR A 10 21.259 -1.897 -13.503 1.00 0.88 H ATOM 129 HE1 TYR A 10 19.675 2.662 -12.377 1.00 0.88 H ATOM 130 HE2 TYR A 10 20.962 -0.215 -15.292 1.00 0.88 H ATOM 131 HH TYR A 10 20.387 1.870 -15.782 1.00 0.88 H ATOM 132 N GLY A 11 18.962 -4.606 -9.744 1.00 0.90 N ATOM 133 CA GLY A 11 18.945 -5.640 -8.721 1.00 0.90 C ATOM 134 C GLY A 11 17.977 -5.258 -7.597 1.00 0.90 C ATOM 135 O GLY A 11 17.483 -4.136 -7.575 1.00 0.90 O ATOM 136 H GLY A 11 18.281 -4.639 -10.498 1.00 0.90 H ATOM 137 1HA GLY A 11 18.649 -6.583 -9.176 1.00 0.90 H ATOM 138 2HA GLY A 11 19.952 -5.759 -8.328 1.00 0.90 H ATOM 139 N PRO A 12 17.727 -6.169 -6.648 1.00 0.94 N ATOM 140 CA PRO A 12 16.791 -6.068 -5.537 1.00 0.94 C ATOM 141 C PRO A 12 17.261 -5.115 -4.466 1.00 0.94 C ATOM 142 O PRO A 12 18.419 -4.737 -4.435 1.00 0.94 O ATOM 143 CB PRO A 12 16.758 -7.499 -4.999 1.00 0.94 C ATOM 144 CG PRO A 12 18.119 -8.058 -5.340 1.00 0.94 C ATOM 145 CD PRO A 12 18.466 -7.448 -6.678 1.00 0.94 C ATOM 146 HA PRO A 12 15.807 -5.761 -5.920 1.00 0.94 H ATOM 147 1HB PRO A 12 16.579 -7.476 -3.911 1.00 0.94 H ATOM 148 2HB PRO A 12 15.926 -8.053 -5.453 1.00 0.94 H ATOM 149 1HG PRO A 12 18.840 -7.775 -4.553 1.00 0.94 H ATOM 150 2HG PRO A 12 18.087 -9.157 -5.363 1.00 0.94 H ATOM 151 1HD PRO A 12 19.545 -7.291 -6.725 1.00 0.94 H ATOM 152 2HD PRO A 12 18.099 -8.096 -7.489 1.00 0.94 H ATOM 153 N CYS A 13 16.364 -4.757 -3.569 1.00 1.02 N ATOM 154 CA CYS A 13 16.705 -3.908 -2.442 1.00 1.02 C ATOM 155 C CYS A 13 17.906 -4.484 -1.706 1.00 1.02 C ATOM 156 O CYS A 13 17.882 -5.640 -1.277 1.00 1.02 O ATOM 157 CB CYS A 13 15.487 -3.830 -1.506 1.00 1.02 C ATOM 158 SG CYS A 13 15.698 -2.862 0.021 1.00 1.02 S ATOM 159 H CYS A 13 15.414 -5.085 -3.659 1.00 1.02 H ATOM 160 HA CYS A 13 16.946 -2.915 -2.818 1.00 1.02 H ATOM 161 1HB CYS A 13 14.656 -3.381 -2.053 1.00 1.02 H ATOM 162 2HB CYS A 13 15.181 -4.833 -1.227 1.00 1.02 H ATOM 163 HG CYS A 13 16.215 -1.763 -0.571 1.00 1.02 H ATOM 164 N PHE A 14 18.948 -3.666 -1.543 1.00 1.13 N ATOM 165 CA PHE A 14 20.177 -4.091 -0.899 1.00 1.13 C ATOM 166 C PHE A 14 20.332 -3.553 0.515 1.00 1.13 C ATOM 167 O PHE A 14 21.158 -4.060 1.274 1.00 1.13 O ATOM 168 CB PHE A 14 21.380 -3.660 -1.731 1.00 1.13 C ATOM 169 CG PHE A 14 21.436 -4.283 -3.104 1.00 1.13 C ATOM 170 CD1 PHE A 14 21.197 -3.517 -4.238 1.00 1.13 C ATOM 171 CD2 PHE A 14 21.718 -5.632 -3.267 1.00 1.13 C ATOM 172 CE1 PHE A 14 21.249 -4.083 -5.498 1.00 1.13 C ATOM 173 CE2 PHE A 14 21.766 -6.199 -4.528 1.00 1.13 C ATOM 174 CZ PHE A 14 21.535 -5.418 -5.642 1.00 1.13 C ATOM 175 H PHE A 14 18.898 -2.720 -1.910 1.00 1.13 H ATOM 176 HA PHE A 14 20.171 -5.180 -0.846 1.00 1.13 H ATOM 177 1HB PHE A 14 21.353 -2.575 -1.855 1.00 1.13 H ATOM 178 2HB PHE A 14 22.298 -3.908 -1.205 1.00 1.13 H ATOM 179 HD1 PHE A 14 20.963 -2.456 -4.126 1.00 1.13 H ATOM 180 HD2 PHE A 14 21.900 -6.247 -2.386 1.00 1.13 H ATOM 181 HE1 PHE A 14 21.055 -3.468 -6.379 1.00 1.13 H ATOM 182 HE2 PHE A 14 21.990 -7.256 -4.642 1.00 1.13 H ATOM 183 HZ PHE A 14 21.575 -5.857 -6.632 1.00 1.13 H ATOM 184 N THR A 15 19.527 -2.555 0.911 1.00 1.24 N ATOM 185 CA THR A 15 19.664 -2.056 2.281 1.00 1.24 C ATOM 186 C THR A 15 19.057 -3.043 3.246 1.00 1.24 C ATOM 187 O THR A 15 19.354 -3.042 4.438 1.00 1.24 O ATOM 188 CB THR A 15 18.917 -0.731 2.502 1.00 1.24 C ATOM 189 OG1 THR A 15 17.507 -0.938 2.208 1.00 1.24 O ATOM 190 CG2 THR A 15 19.499 0.393 1.655 1.00 1.24 C ATOM 191 H THR A 15 18.848 -2.111 0.277 1.00 1.24 H ATOM 192 HA THR A 15 20.720 -1.932 2.514 1.00 1.24 H ATOM 193 HB THR A 15 19.001 -0.455 3.552 1.00 1.24 H ATOM 194 HG1 THR A 15 17.388 -0.843 1.225 1.00 1.24 H ATOM 195 1HG2 THR A 15 18.949 1.317 1.842 1.00 1.24 H ATOM 196 2HG2 THR A 15 20.548 0.534 1.918 1.00 1.24 H ATOM 197 3HG2 THR A 15 19.432 0.145 0.611 1.00 1.24 H ATOM 198 N ALA A 16 18.151 -3.855 2.719 1.00 1.33 N ATOM 199 CA ALA A 16 17.392 -4.825 3.482 1.00 1.33 C ATOM 200 C ALA A 16 16.682 -4.148 4.648 1.00 1.33 C ATOM 201 O ALA A 16 16.450 -4.774 5.684 1.00 1.33 O ATOM 202 CB ALA A 16 18.302 -5.934 3.988 1.00 1.33 C ATOM 203 H ALA A 16 17.984 -3.782 1.728 1.00 1.33 H ATOM 204 HA ALA A 16 16.633 -5.253 2.828 1.00 1.33 H ATOM 205 1HB ALA A 16 17.708 -6.665 4.537 1.00 1.33 H ATOM 206 2HB ALA A 16 18.785 -6.422 3.140 1.00 1.33 H ATOM 207 3HB ALA A 16 19.063 -5.524 4.649 1.00 1.33 H ATOM 208 N ALA A 17 16.283 -2.884 4.474 1.00 1.38 N ATOM 209 CA ALA A 17 15.610 -2.201 5.561 1.00 1.38 C ATOM 210 C ALA A 17 14.357 -2.983 5.937 1.00 1.38 C ATOM 211 O ALA A 17 13.699 -3.597 5.087 1.00 1.38 O ATOM 212 CB ALA A 17 15.313 -0.759 5.182 1.00 1.38 C ATOM 213 H ALA A 17 16.517 -2.373 3.615 1.00 1.38 H ATOM 214 HA ALA A 17 16.271 -2.199 6.426 1.00 1.38 H ATOM 215 1HB ALA A 17 14.830 -0.257 6.012 1.00 1.38 H ATOM 216 2HB ALA A 17 16.253 -0.255 4.949 1.00 1.38 H ATOM 217 3HB ALA A 17 14.690 -0.719 4.329 1.00 1.38 H ATOM 218 N ILE A 18 14.037 -2.969 7.221 1.00 1.36 N ATOM 219 CA ILE A 18 12.934 -3.756 7.738 1.00 1.36 C ATOM 220 C ILE A 18 11.599 -3.394 7.119 1.00 1.36 C ATOM 221 O ILE A 18 11.233 -2.221 7.043 1.00 1.36 O ATOM 222 CB ILE A 18 12.855 -3.600 9.268 1.00 1.36 C ATOM 223 CG1 ILE A 18 14.106 -4.202 9.908 1.00 1.36 C ATOM 224 CG2 ILE A 18 11.601 -4.269 9.817 1.00 1.36 C ATOM 225 CD1 ILE A 18 14.243 -3.889 11.376 1.00 1.36 C ATOM 226 H ILE A 18 14.603 -2.435 7.863 1.00 1.36 H ATOM 227 HA ILE A 18 13.138 -4.803 7.513 1.00 1.36 H ATOM 228 HB ILE A 18 12.832 -2.541 9.520 1.00 1.36 H ATOM 229 1HG1 ILE A 18 14.082 -5.283 9.783 1.00 1.36 H ATOM 230 2HG1 ILE A 18 14.987 -3.815 9.389 1.00 1.36 H ATOM 231 1HG2 ILE A 18 11.567 -4.140 10.898 1.00 1.36 H ATOM 232 2HG2 ILE A 18 10.717 -3.816 9.375 1.00 1.36 H ATOM 233 3HG2 ILE A 18 11.620 -5.334 9.582 1.00 1.36 H ATOM 234 1HD1 ILE A 18 15.152 -4.347 11.764 1.00 1.36 H ATOM 235 2HD1 ILE A 18 14.290 -2.809 11.516 1.00 1.36 H ATOM 236 3HD1 ILE A 18 13.381 -4.287 11.913 1.00 1.36 H ATOM 237 N GLY A 19 10.889 -4.439 6.676 1.00 1.30 N ATOM 238 CA GLY A 19 9.585 -4.341 6.035 1.00 1.30 C ATOM 239 C GLY A 19 9.661 -4.138 4.527 1.00 1.30 C ATOM 240 O GLY A 19 8.627 -4.054 3.864 1.00 1.30 O ATOM 241 H GLY A 19 11.294 -5.358 6.787 1.00 1.30 H ATOM 242 1HA GLY A 19 9.010 -5.244 6.249 1.00 1.30 H ATOM 243 2HA GLY A 19 9.034 -3.513 6.479 1.00 1.30 H ATOM 244 N CYS A 20 10.870 -4.064 3.966 1.00 1.22 N ATOM 245 CA CYS A 20 10.999 -3.799 2.536 1.00 1.22 C ATOM 246 C CYS A 20 10.878 -4.973 1.569 1.00 1.22 C ATOM 247 O CYS A 20 11.321 -6.092 1.842 1.00 1.22 O ATOM 248 CB CYS A 20 12.320 -3.135 2.259 1.00 1.22 C ATOM 249 SG CYS A 20 12.445 -1.579 3.042 1.00 1.22 S ATOM 250 H CYS A 20 11.721 -4.128 4.530 1.00 1.22 H ATOM 251 HA CYS A 20 10.232 -3.081 2.292 1.00 1.22 H ATOM 252 1HB CYS A 20 13.138 -3.760 2.605 1.00 1.22 H ATOM 253 2HB CYS A 20 12.434 -3.008 1.201 1.00 1.22 H ATOM 254 HG CYS A 20 12.803 -2.109 4.231 1.00 1.22 H ATOM 255 N SER A 21 10.341 -4.654 0.390 1.00 1.13 N ATOM 256 CA SER A 21 10.225 -5.558 -0.750 1.00 1.13 C ATOM 257 C SER A 21 10.245 -4.749 -2.049 1.00 1.13 C ATOM 258 O SER A 21 10.017 -3.540 -2.034 1.00 1.13 O ATOM 259 CB SER A 21 8.939 -6.359 -0.645 1.00 1.13 C ATOM 260 OG SER A 21 7.809 -5.528 -0.760 1.00 1.13 O ATOM 261 H SER A 21 9.953 -3.716 0.304 1.00 1.13 H ATOM 262 HA SER A 21 11.078 -6.239 -0.750 1.00 1.13 H ATOM 263 1HB SER A 21 8.918 -7.121 -1.424 1.00 1.13 H ATOM 264 2HB SER A 21 8.917 -6.872 0.317 1.00 1.13 H ATOM 265 HG SER A 21 7.936 -4.806 -0.129 1.00 1.13 H ATOM 266 N CYS A 22 10.501 -5.395 -3.184 1.00 1.06 N ATOM 267 CA CYS A 22 10.488 -4.639 -4.439 1.00 1.06 C ATOM 268 C CYS A 22 9.243 -4.891 -5.277 1.00 1.06 C ATOM 269 O CYS A 22 8.752 -6.020 -5.361 1.00 1.06 O ATOM 270 CB CYS A 22 11.699 -4.990 -5.293 1.00 1.06 C ATOM 271 SG CYS A 22 13.286 -4.587 -4.552 1.00 1.06 S ATOM 272 H CYS A 22 10.684 -6.389 -3.183 1.00 1.06 H ATOM 273 HA CYS A 22 10.532 -3.577 -4.209 1.00 1.06 H ATOM 274 1HB CYS A 22 11.690 -6.060 -5.507 1.00 1.06 H ATOM 275 2HB CYS A 22 11.624 -4.466 -6.247 1.00 1.06 H ATOM 276 N LYS A 23 8.786 -3.841 -5.955 1.00 1.01 N ATOM 277 CA LYS A 23 7.670 -3.914 -6.890 1.00 1.01 C ATOM 278 C LYS A 23 7.846 -2.869 -7.989 1.00 1.01 C ATOM 279 O LYS A 23 8.176 -1.724 -7.706 1.00 1.01 O ATOM 280 CB LYS A 23 6.347 -3.696 -6.152 1.00 1.01 C ATOM 281 CG LYS A 23 5.105 -3.853 -7.017 1.00 1.01 C ATOM 282 CD LYS A 23 3.832 -3.730 -6.188 1.00 1.01 C ATOM 283 CE LYS A 23 2.592 -3.866 -7.061 1.00 1.01 C ATOM 284 NZ LYS A 23 1.340 -3.756 -6.265 1.00 1.01 N ATOM 285 H LYS A 23 9.228 -2.939 -5.784 1.00 1.01 H ATOM 286 HA LYS A 23 7.664 -4.899 -7.353 1.00 1.01 H ATOM 287 1HB LYS A 23 6.278 -4.398 -5.318 1.00 1.01 H ATOM 288 2HB LYS A 23 6.327 -2.698 -5.738 1.00 1.01 H ATOM 289 1HG LYS A 23 5.100 -3.083 -7.792 1.00 1.01 H ATOM 290 2HG LYS A 23 5.121 -4.828 -7.501 1.00 1.01 H ATOM 291 1HD LYS A 23 3.817 -4.506 -5.421 1.00 1.01 H ATOM 292 2HD LYS A 23 3.815 -2.757 -5.697 1.00 1.01 H ATOM 293 1HE LYS A 23 2.602 -3.082 -7.818 1.00 1.01 H ATOM 294 2HE LYS A 23 2.612 -4.836 -7.557 1.00 1.01 H ATOM 295 1HZ LYS A 23 0.541 -3.853 -6.877 1.00 1.01 H ATOM 296 2HZ LYS A 23 1.319 -4.487 -5.568 1.00 1.01 H ATOM 297 3HZ LYS A 23 1.307 -2.856 -5.810 1.00 1.01 H ATOM 298 N SER A 24 7.680 -3.259 -9.249 1.00 0.96 N ATOM 299 CA SER A 24 7.821 -2.307 -10.362 1.00 0.96 C ATOM 300 C SER A 24 9.128 -1.497 -10.301 1.00 0.96 C ATOM 301 O SER A 24 9.137 -0.293 -10.556 1.00 0.96 O ATOM 302 CB SER A 24 6.636 -1.358 -10.386 1.00 0.96 C ATOM 303 OG SER A 24 5.437 -2.060 -10.581 1.00 0.96 O ATOM 304 H SER A 24 7.424 -4.218 -9.444 1.00 0.96 H ATOM 305 HA SER A 24 7.824 -2.875 -11.293 1.00 0.96 H ATOM 306 1HB SER A 24 6.589 -0.803 -9.450 1.00 0.96 H ATOM 307 2HB SER A 24 6.772 -0.632 -11.184 1.00 0.96 H ATOM 308 HG SER A 24 5.430 -2.315 -11.506 1.00 0.96 H ATOM 309 N LYS A 25 10.227 -2.179 -9.969 1.00 0.92 N ATOM 310 CA LYS A 25 11.578 -1.615 -9.847 1.00 0.92 C ATOM 311 C LYS A 25 11.751 -0.553 -8.738 1.00 0.92 C ATOM 312 O LYS A 25 12.723 0.213 -8.753 1.00 0.92 O ATOM 313 CB LYS A 25 12.016 -1.033 -11.184 1.00 0.92 C ATOM 314 CG LYS A 25 11.989 -2.036 -12.343 1.00 0.92 C ATOM 315 CD LYS A 25 12.490 -1.419 -13.648 1.00 0.92 C ATOM 316 CE LYS A 25 12.382 -2.403 -14.805 1.00 0.92 C ATOM 317 NZ LYS A 25 12.817 -1.798 -16.097 1.00 0.92 N ATOM 318 H LYS A 25 10.114 -3.164 -9.784 1.00 0.92 H ATOM 319 HA LYS A 25 12.255 -2.438 -9.614 1.00 0.92 H ATOM 320 1HB LYS A 25 11.423 -0.162 -11.445 1.00 0.92 H ATOM 321 2HB LYS A 25 13.022 -0.708 -11.071 1.00 0.92 H ATOM 322 1HG LYS A 25 12.625 -2.887 -12.090 1.00 0.92 H ATOM 323 2HG LYS A 25 10.975 -2.394 -12.492 1.00 0.92 H ATOM 324 1HD LYS A 25 11.915 -0.520 -13.877 1.00 0.92 H ATOM 325 2HD LYS A 25 13.534 -1.147 -13.540 1.00 0.92 H ATOM 326 1HE LYS A 25 13.006 -3.270 -14.593 1.00 0.92 H ATOM 327 2HE LYS A 25 11.345 -2.728 -14.899 1.00 0.92 H ATOM 328 1HZ LYS A 25 12.729 -2.482 -16.836 1.00 0.92 H ATOM 329 2HZ LYS A 25 12.237 -0.997 -16.311 1.00 0.92 H ATOM 330 3HZ LYS A 25 13.781 -1.504 -16.026 1.00 0.92 H ATOM 331 N VAL A 26 10.850 -0.544 -7.754 1.00 0.90 N ATOM 332 CA VAL A 26 10.907 0.347 -6.594 1.00 0.90 C ATOM 333 C VAL A 26 10.749 -0.388 -5.259 1.00 0.90 C ATOM 334 O VAL A 26 9.932 -1.300 -5.126 1.00 0.90 O ATOM 335 CB VAL A 26 9.818 1.442 -6.702 1.00 0.90 C ATOM 336 CG1 VAL A 26 9.809 2.334 -5.443 1.00 0.90 C ATOM 337 CG2 VAL A 26 10.060 2.291 -7.924 1.00 0.90 C ATOM 338 H VAL A 26 10.044 -1.156 -7.823 1.00 0.90 H ATOM 339 HA VAL A 26 11.880 0.840 -6.587 1.00 0.90 H ATOM 340 HB VAL A 26 8.860 0.973 -6.800 1.00 0.90 H ATOM 341 1HG1 VAL A 26 9.032 3.092 -5.541 1.00 0.90 H ATOM 342 2HG1 VAL A 26 9.600 1.733 -4.565 1.00 0.90 H ATOM 343 3HG1 VAL A 26 10.778 2.819 -5.330 1.00 0.90 H ATOM 344 1HG2 VAL A 26 9.279 3.046 -7.995 1.00 0.90 H ATOM 345 2HG2 VAL A 26 11.033 2.776 -7.841 1.00 0.90 H ATOM 346 3HG2 VAL A 26 10.036 1.669 -8.817 1.00 0.90 H ATOM 347 N CYS A 27 11.570 -0.027 -4.283 1.00 0.89 N ATOM 348 CA CYS A 27 11.460 -0.568 -2.939 1.00 0.89 C ATOM 349 C CYS A 27 10.355 0.067 -2.116 1.00 0.89 C ATOM 350 O CYS A 27 10.311 1.293 -1.982 1.00 0.89 O ATOM 351 CB CYS A 27 12.734 -0.348 -2.196 1.00 0.89 C ATOM 352 SG CYS A 27 12.670 -0.785 -0.521 1.00 0.89 S ATOM 353 H CYS A 27 12.285 0.685 -4.438 1.00 0.89 H ATOM 354 HA CYS A 27 11.277 -1.635 -3.017 1.00 0.89 H ATOM 355 1HB CYS A 27 13.552 -0.894 -2.667 1.00 0.89 H ATOM 356 2HB CYS A 27 12.965 0.688 -2.238 1.00 0.89 H ATOM 357 N TYR A 28 9.481 -0.770 -1.568 1.00 0.91 N ATOM 358 CA TYR A 28 8.362 -0.341 -0.740 1.00 0.91 C ATOM 359 C TYR A 28 8.309 -1.099 0.582 1.00 0.91 C ATOM 360 O TYR A 28 8.800 -2.222 0.682 1.00 0.91 O ATOM 361 CB TYR A 28 7.027 -0.571 -1.437 1.00 0.91 C ATOM 362 CG TYR A 28 6.810 0.133 -2.743 1.00 0.91 C ATOM 363 CD1 TYR A 28 7.135 -0.484 -3.922 1.00 0.91 C ATOM 364 CD2 TYR A 28 6.259 1.383 -2.760 1.00 0.91 C ATOM 365 CE1 TYR A 28 6.896 0.156 -5.112 1.00 0.91 C ATOM 366 CE2 TYR A 28 6.026 2.032 -3.942 1.00 0.91 C ATOM 367 CZ TYR A 28 6.341 1.424 -5.118 1.00 0.91 C ATOM 368 OH TYR A 28 6.100 2.070 -6.317 1.00 0.91 O ATOM 369 H TYR A 28 9.614 -1.763 -1.742 1.00 0.91 H ATOM 370 HA TYR A 28 8.482 0.711 -0.517 1.00 0.91 H ATOM 371 1HB TYR A 28 6.897 -1.641 -1.607 1.00 0.91 H ATOM 372 2HB TYR A 28 6.244 -0.258 -0.762 1.00 0.91 H ATOM 373 HD1 TYR A 28 7.571 -1.487 -3.917 1.00 0.91 H ATOM 374 HD2 TYR A 28 6.000 1.858 -1.839 1.00 0.91 H ATOM 375 HE1 TYR A 28 7.144 -0.332 -6.043 1.00 0.91 H ATOM 376 HE2 TYR A 28 5.583 3.023 -3.939 1.00 0.91 H ATOM 377 HH TYR A 28 6.438 1.538 -7.044 1.00 0.91 H ATOM 378 N LYS A 29 7.659 -0.505 1.587 1.00 0.95 N ATOM 379 CA LYS A 29 7.433 -1.167 2.861 1.00 0.95 C ATOM 380 C LYS A 29 5.988 -1.591 3.064 1.00 0.95 C ATOM 381 O LYS A 29 5.043 -0.874 2.687 1.00 0.95 O ATOM 382 CB LYS A 29 7.842 -0.289 4.035 1.00 0.95 C ATOM 383 CG LYS A 29 9.311 -0.025 4.151 1.00 0.95 C ATOM 384 CD LYS A 29 9.607 0.789 5.391 1.00 0.95 C ATOM 385 CE LYS A 29 11.090 1.060 5.555 1.00 0.95 C ATOM 386 NZ LYS A 29 11.363 1.844 6.791 1.00 0.95 N ATOM 387 H LYS A 29 7.317 0.431 1.457 1.00 0.95 H ATOM 388 HA LYS A 29 8.042 -2.056 2.876 1.00 0.95 H ATOM 389 1HB LYS A 29 7.341 0.677 3.954 1.00 0.95 H ATOM 390 2HB LYS A 29 7.511 -0.758 4.965 1.00 0.95 H ATOM 391 1HG LYS A 29 9.827 -0.978 4.227 1.00 0.95 H ATOM 392 2HG LYS A 29 9.659 0.499 3.272 1.00 0.95 H ATOM 393 1HD LYS A 29 9.074 1.738 5.331 1.00 0.95 H ATOM 394 2HD LYS A 29 9.254 0.242 6.268 1.00 0.95 H ATOM 395 1HE LYS A 29 11.628 0.111 5.613 1.00 0.95 H ATOM 396 2HE LYS A 29 11.451 1.619 4.697 1.00 0.95 H ATOM 397 1HZ LYS A 29 12.354 2.008 6.877 1.00 0.95 H ATOM 398 2HZ LYS A 29 10.878 2.726 6.747 1.00 0.95 H ATOM 399 3HZ LYS A 29 11.038 1.319 7.593 1.00 0.95 H ATOM 400 N ASN A 30 5.838 -2.736 3.727 1.00 1.01 N ATOM 401 CA ASN A 30 4.540 -3.296 4.090 1.00 1.01 C ATOM 402 C ASN A 30 4.648 -4.056 5.407 1.00 1.01 C ATOM 403 O ASN A 30 4.323 -3.513 6.465 1.00 1.01 O ATOM 404 OXT ASN A 30 5.326 -5.082 5.438 1.00 1.01 O ATOM 405 CB ASN A 30 4.020 -4.200 2.976 1.00 1.01 C ATOM 406 CG ASN A 30 2.607 -4.714 3.216 1.00 1.01 C ATOM 407 OD1 ASN A 30 2.331 -5.372 4.225 1.00 1.01 O ATOM 408 ND2 ASN A 30 1.715 -4.435 2.297 1.00 1.01 N ATOM 409 H ASN A 30 6.689 -3.253 3.968 1.00 1.01 H ATOM 410 HA ASN A 30 3.834 -2.477 4.239 1.00 1.01 H ATOM 411 1HB ASN A 30 4.037 -3.652 2.031 1.00 1.01 H ATOM 412 2HB ASN A 30 4.688 -5.055 2.866 1.00 1.01 H ATOM 413 1HD2 ASN A 30 0.773 -4.754 2.402 1.00 1.01 H ATOM 414 2HD2 ASN A 30 1.978 -3.908 1.489 1.00 1.01 H TER 415 ENDMDL