EXPDTA keasar-server_TS2-scwrl MODEL 1 REMARK 44 REMARK 44 model 1 is called keasar-server_TS2-scwrl ATOM 1 N MET 1 -19.856 11.113 108.591 1.00 0.00 ATOM 2 CA MET 1 -19.358 12.115 107.656 1.00 0.00 ATOM 3 CB MET 1 -18.362 13.047 108.349 1.00 0.00 ATOM 4 CG MET 1 -18.980 13.927 109.423 1.00 0.00 ATOM 5 SD MET 1 -20.295 14.983 108.786 1.00 0.00 ATOM 6 CE MET 1 -19.355 16.118 107.769 1.00 0.00 ATOM 7 O MET 1 -18.066 10.391 106.603 1.00 0.00 ATOM 8 C MET 1 -18.648 11.469 106.469 1.00 0.00 ATOM 9 N ASP 2 -18.728 12.109 105.300 1.00 0.00 ATOM 10 CA ASP 2 -18.018 11.635 104.108 1.00 0.00 ATOM 11 CB ASP 2 -18.920 10.721 103.275 1.00 0.00 ATOM 12 CG ASP 2 -20.109 11.455 102.688 1.00 0.00 ATOM 13 OD1 ASP 2 -20.102 12.704 102.700 1.00 0.00 ATOM 14 OD2 ASP 2 -21.048 10.781 102.215 1.00 0.00 ATOM 15 O ASP 2 -17.898 13.946 103.440 1.00 0.00 ATOM 16 C ASP 2 -17.566 12.783 103.200 1.00 0.00 ATOM 17 N ALA 3 -16.769 12.454 102.183 1.00 0.00 ATOM 18 CA ALA 3 -16.306 13.424 101.188 1.00 0.00 ATOM 19 CB ALA 3 -17.480 14.214 100.631 1.00 0.00 ATOM 20 O ALA 3 -14.109 14.351 101.455 1.00 0.00 ATOM 21 C ALA 3 -15.308 14.448 101.735 1.00 0.00 ATOM 22 N LYS 4 -15.793 15.464 102.451 1.00 0.00 ATOM 23 CA LYS 4 -14.923 16.514 102.986 1.00 0.00 ATOM 24 CB LYS 4 -15.755 17.696 103.487 1.00 0.00 ATOM 25 CG LYS 4 -14.929 18.857 104.017 1.00 0.00 ATOM 26 CD LYS 4 -15.813 20.027 104.416 1.00 0.00 ATOM 27 CE LYS 4 -14.990 21.174 104.979 1.00 0.00 ATOM 28 NZ LYS 4 -15.848 22.306 105.425 1.00 0.00 ATOM 29 O LYS 4 -12.875 16.183 104.203 1.00 0.00 ATOM 30 C LYS 4 -14.092 15.987 104.151 1.00 0.00 ATOM 31 N PHE 5 -14.766 15.356 105.104 1.00 0.00 ATOM 32 CA PHE 5 -14.096 14.697 106.220 1.00 0.00 ATOM 33 CB PHE 5 -14.657 15.197 107.553 1.00 0.00 ATOM 34 CG PHE 5 -14.365 16.645 107.828 1.00 0.00 ATOM 35 CD1 PHE 5 -15.272 17.628 107.474 1.00 0.00 ATOM 36 CD2 PHE 5 -13.183 17.023 108.441 1.00 0.00 ATOM 37 CE1 PHE 5 -15.004 18.960 107.727 1.00 0.00 ATOM 38 CE2 PHE 5 -12.915 18.355 108.694 1.00 0.00 ATOM 39 CZ PHE 5 -13.819 19.322 108.340 1.00 0.00 ATOM 40 O PHE 5 -15.345 12.783 105.510 1.00 0.00 ATOM 41 C PHE 5 -14.337 13.194 106.089 1.00 0.00 ATOM 42 N LEU 6 -13.423 12.354 106.564 1.00 0.00 ATOM 43 CA LEU 6 -13.685 10.917 106.518 1.00 0.00 ATOM 44 CB LEU 6 -14.250 10.519 105.153 1.00 0.00 ATOM 45 CG LEU 6 -14.591 9.039 104.966 1.00 0.00 ATOM 46 CD1 LEU 6 -15.691 8.615 105.927 1.00 0.00 ATOM 47 CD2 LEU 6 -15.071 8.773 103.547 1.00 0.00 ATOM 48 O LEU 6 -11.582 10.465 107.569 1.00 0.00 ATOM 49 C LEU 6 -12.428 10.097 106.750 1.00 0.00 ATOM 50 N GLU 7 -12.278 9.021 105.988 1.00 0.00 ATOM 51 CA GLU 7 -11.147 8.126 106.177 1.00 0.00 ATOM 52 CB GLU 7 -9.939 8.895 106.717 1.00 0.00 ATOM 53 CG GLU 7 -9.353 9.897 105.736 1.00 0.00 ATOM 54 CD GLU 7 -8.200 10.684 106.326 1.00 0.00 ATOM 55 OE1 GLU 7 -7.889 10.479 107.518 1.00 0.00 ATOM 56 OE2 GLU 7 -7.606 11.506 105.597 1.00 0.00 ATOM 57 O GLU 7 -11.047 5.855 106.921 1.00 0.00 ATOM 58 C GLU 7 -11.445 6.996 107.167 1.00 0.00 ATOM 59 N ILE 8 -12.147 7.272 108.274 1.00 0.00 ATOM 60 CA ILE 8 -12.548 6.208 109.201 1.00 0.00 ATOM 61 CB ILE 8 -12.011 6.465 110.621 1.00 0.00 ATOM 62 CG1 ILE 8 -12.570 7.777 111.174 1.00 0.00 ATOM 63 CG2 ILE 8 -10.492 6.556 110.608 1.00 0.00 ATOM 64 CD1 ILE 8 -12.306 7.979 112.650 1.00 0.00 ATOM 65 O ILE 8 -14.553 5.127 109.943 1.00 0.00 ATOM 66 C ILE 8 -14.071 6.075 109.321 1.00 0.00 ATOM 67 N LEU 9 -14.834 6.985 108.716 1.00 0.00 ATOM 68 CA LEU 9 -16.293 6.965 108.867 1.00 0.00 ATOM 69 CB LEU 9 -16.811 8.352 109.253 1.00 0.00 ATOM 70 CG LEU 9 -16.304 8.920 110.580 1.00 0.00 ATOM 71 CD1 LEU 9 -16.825 10.333 110.794 1.00 0.00 ATOM 72 CD2 LEU 9 -16.768 8.060 111.745 1.00 0.00 ATOM 73 O LEU 9 -18.024 7.198 107.241 1.00 0.00 ATOM 74 C LEU 9 -17.034 6.555 107.595 1.00 0.00 ATOM 75 N VAL 10 -16.622 5.484 106.926 1.00 0.00 ATOM 76 CA VAL 10 -17.300 5.068 105.698 1.00 0.00 ATOM 77 CB VAL 10 -16.420 5.311 104.458 1.00 0.00 ATOM 78 CG1 VAL 10 -17.139 4.855 103.197 1.00 0.00 ATOM 79 CG2 VAL 10 -16.094 6.790 104.317 1.00 0.00 ATOM 80 O VAL 10 -16.767 2.724 105.563 1.00 0.00 ATOM 81 C VAL 10 -17.643 3.574 105.740 1.00 0.00 ATOM 82 N CYS 11 -18.924 3.260 105.939 1.00 0.00 ATOM 83 CA CYS 11 -19.369 1.874 106.101 1.00 0.00 ATOM 84 CB CYS 11 -20.894 1.788 106.017 1.00 0.00 ATOM 85 SG CYS 11 -21.761 2.464 107.452 1.00 0.00 ATOM 86 O CYS 11 -19.115 1.060 103.852 1.00 0.00 ATOM 87 C CYS 11 -18.813 0.926 105.039 1.00 0.00 ATOM 88 N PRO 12 -18.027 -0.062 105.470 1.00 0.00 ATOM 89 CA PRO 12 -17.426 -1.040 104.558 1.00 0.00 ATOM 90 CB PRO 12 -16.620 -1.958 105.479 1.00 0.00 ATOM 91 CG PRO 12 -17.301 -1.851 106.802 1.00 0.00 ATOM 92 CD PRO 12 -17.773 -0.429 106.914 1.00 0.00 ATOM 93 O PRO 12 -18.096 -2.520 102.795 1.00 0.00 ATOM 94 C PRO 12 -18.448 -1.848 103.768 1.00 0.00 ATOM 95 N LEU 13 -19.705 -1.809 104.192 1.00 0.00 ATOM 96 CA LEU 13 -20.744 -2.618 103.567 1.00 0.00 ATOM 97 CB LEU 13 -21.986 -2.677 104.458 1.00 0.00 ATOM 98 CG LEU 13 -21.819 -3.376 105.809 1.00 0.00 ATOM 99 CD1 LEU 13 -23.090 -3.259 106.636 1.00 0.00 ATOM 100 CD2 LEU 13 -21.513 -4.854 105.615 1.00 0.00 ATOM 101 O LEU 13 -20.937 -2.693 101.178 1.00 0.00 ATOM 102 C LEU 13 -21.180 -2.061 102.209 1.00 0.00 ATOM 103 N CYS 14 -21.816 -0.891 102.190 1.00 0.00 ATOM 104 CA CYS 14 -22.256 -0.285 100.938 1.00 0.00 ATOM 105 CB CYS 14 -23.765 -0.034 100.966 1.00 0.00 ATOM 106 SG CYS 14 -24.769 -1.531 101.099 1.00 0.00 ATOM 107 O CYS 14 -21.216 1.383 99.563 1.00 0.00 ATOM 108 C CYS 14 -21.555 1.051 100.701 1.00 0.00 ATOM 109 N LYS 15 -21.337 1.812 101.772 1.00 0.00 ATOM 110 CA LYS 15 -20.616 3.080 101.679 1.00 0.00 ATOM 111 CB LYS 15 -20.157 3.331 100.241 1.00 0.00 ATOM 112 CG LYS 15 -19.338 4.599 100.064 1.00 0.00 ATOM 113 CD LYS 15 -18.856 4.749 98.630 1.00 0.00 ATOM 114 CE LYS 15 -18.048 6.024 98.450 1.00 0.00 ATOM 115 NZ LYS 15 -17.567 6.183 97.050 1.00 0.00 ATOM 116 O LYS 15 -21.946 5.035 101.253 1.00 0.00 ATOM 117 C LYS 15 -21.479 4.268 102.100 1.00 0.00 ATOM 118 N GLY 16 -21.650 4.458 103.405 1.00 0.00 ATOM 119 CA GLY 16 -22.451 5.568 103.892 1.00 0.00 ATOM 120 O GLY 16 -21.286 5.419 105.983 1.00 0.00 ATOM 121 C GLY 16 -22.018 6.092 105.251 1.00 0.00 ATOM 122 N PRO 17 -22.432 7.320 105.582 1.00 0.00 ATOM 123 CA PRO 17 -22.105 7.972 106.853 1.00 0.00 ATOM 124 CB PRO 17 -22.566 9.418 106.657 1.00 0.00 ATOM 125 CG PRO 17 -23.659 9.327 105.645 1.00 0.00 ATOM 126 CD PRO 17 -23.268 8.218 104.708 1.00 0.00 ATOM 127 O PRO 17 -23.945 6.858 107.921 1.00 0.00 ATOM 128 C PRO 17 -22.814 7.339 108.046 1.00 0.00 ATOM 129 N LEU 18 -22.173 7.388 109.211 1.00 0.00 ATOM 130 CA LEU 18 -22.707 6.759 110.417 1.00 0.00 ATOM 131 CB LEU 18 -21.820 5.590 110.849 1.00 0.00 ATOM 132 CG LEU 18 -21.875 4.337 109.973 1.00 0.00 ATOM 133 CD1 LEU 18 -21.060 4.533 108.704 1.00 0.00 ATOM 134 CD2 LEU 18 -21.314 3.135 110.718 1.00 0.00 ATOM 135 O LEU 18 -21.833 8.474 111.853 1.00 0.00 ATOM 136 C LEU 18 -22.785 7.738 111.587 1.00 0.00 ATOM 137 N VAL 19 -23.905 7.731 112.302 1.00 0.00 ATOM 138 CA VAL 19 -24.050 8.550 113.503 1.00 0.00 ATOM 139 CB VAL 19 -24.841 9.840 113.215 1.00 0.00 ATOM 140 CG1 VAL 19 -24.039 10.765 112.311 1.00 0.00 ATOM 141 CG2 VAL 19 -26.156 9.515 112.524 1.00 0.00 ATOM 142 O VAL 19 -25.739 8.309 115.179 1.00 0.00 ATOM 143 C VAL 19 -24.794 7.776 114.592 1.00 0.00 ATOM 144 N PHE 20 -24.365 6.553 114.917 1.00 0.00 ATOM 145 CA PHE 20 -25.098 5.767 115.910 1.00 0.00 ATOM 146 CB PHE 20 -25.754 4.551 115.253 1.00 0.00 ATOM 147 CG PHE 20 -26.636 3.763 116.179 1.00 0.00 ATOM 148 CD1 PHE 20 -27.915 4.199 116.477 1.00 0.00 ATOM 149 CD2 PHE 20 -26.187 2.587 116.753 1.00 0.00 ATOM 150 CE1 PHE 20 -28.727 3.475 117.329 1.00 0.00 ATOM 151 CE2 PHE 20 -26.998 1.862 117.605 1.00 0.00 ATOM 152 CZ PHE 20 -28.264 2.302 117.894 1.00 0.00 ATOM 153 O PHE 20 -23.492 4.257 116.859 1.00 0.00 ATOM 154 C PHE 20 -24.210 5.241 117.038 1.00 0.00 ATOM 155 N ASP 21 -24.230 5.902 118.194 1.00 0.00 ATOM 156 CA ASP 21 -23.391 5.484 119.316 1.00 0.00 ATOM 157 CB ASP 21 -22.671 6.689 119.924 1.00 0.00 ATOM 158 CG ASP 21 -21.671 6.292 120.993 1.00 0.00 ATOM 159 OD1 ASP 21 -22.025 5.464 121.859 1.00 0.00 ATOM 160 OD2 ASP 21 -20.534 6.808 120.964 1.00 0.00 ATOM 161 O ASP 21 -25.080 5.459 121.024 1.00 0.00 ATOM 162 C ASP 21 -24.210 4.824 120.424 1.00 0.00 ATOM 163 N LYS 22 -23.905 3.564 120.719 1.00 0.00 ATOM 164 CA LYS 22 -24.577 2.827 121.787 1.00 0.00 ATOM 165 CB LYS 22 -24.868 1.391 121.346 1.00 0.00 ATOM 166 CG LYS 22 -25.682 0.587 122.347 1.00 0.00 ATOM 167 CD LYS 22 -26.036 -0.784 121.796 1.00 0.00 ATOM 168 CE LYS 22 -26.883 -1.573 122.782 1.00 0.00 ATOM 169 NZ LYS 22 -27.255 -2.912 122.246 1.00 0.00 ATOM 170 O LYS 22 -24.207 2.827 124.161 1.00 0.00 ATOM 171 C LYS 22 -23.704 2.779 123.036 1.00 0.00 ATOM 172 N SER 23 -22.392 2.705 122.835 1.00 0.00 ATOM 173 CA SER 23 -21.445 2.581 123.938 1.00 0.00 ATOM 174 CB SER 23 -20.805 1.191 123.941 1.00 0.00 ATOM 175 OG SER 23 -20.034 0.982 122.771 1.00 0.00 ATOM 176 O SER 23 -20.076 4.147 122.743 1.00 0.00 ATOM 177 C SER 23 -20.331 3.614 123.825 1.00 0.00 ATOM 178 N LYS 24 -19.629 3.858 124.926 1.00 0.00 ATOM 179 CA LYS 24 -18.511 4.795 124.922 1.00 0.00 ATOM 180 CB LYS 24 -18.258 5.334 126.332 1.00 0.00 ATOM 181 CG LYS 24 -19.395 6.176 126.887 1.00 0.00 ATOM 182 CD LYS 24 -19.029 6.778 128.234 1.00 0.00 ATOM 183 CE LYS 24 -20.169 7.614 128.793 1.00 0.00 ATOM 184 NZ LYS 24 -19.834 8.188 130.126 1.00 0.00 ATOM 185 O LYS 24 -16.270 3.988 125.195 1.00 0.00 ATOM 186 C LYS 24 -17.231 4.121 124.435 1.00 0.00 ATOM 187 N ASP 25 -17.223 3.674 123.180 1.00 0.00 ATOM 188 CA ASP 25 -16.033 3.067 122.588 1.00 0.00 ATOM 189 CB ASP 25 -15.446 2.012 123.527 1.00 0.00 ATOM 190 CG ASP 25 -14.085 1.520 123.074 1.00 0.00 ATOM 191 OD1 ASP 25 -13.604 1.991 122.022 1.00 0.00 ATOM 192 OD2 ASP 25 -13.500 0.665 123.771 1.00 0.00 ATOM 193 O ASP 25 -15.424 1.940 120.567 1.00 0.00 ATOM 194 C ASP 25 -16.340 2.383 121.259 1.00 0.00 ATOM 195 N GLU 26 -17.616 2.256 120.908 1.00 0.00 ATOM 196 CA GLU 26 -17.976 1.670 119.620 1.00 0.00 ATOM 197 CB GLU 26 -18.693 0.334 119.821 1.00 0.00 ATOM 198 CG GLU 26 -17.834 -0.740 120.469 1.00 0.00 ATOM 199 CD GLU 26 -18.574 -2.053 120.641 1.00 0.00 ATOM 200 OE1 GLU 26 -19.774 -2.107 120.300 1.00 0.00 ATOM 201 OE2 GLU 26 -17.953 -3.026 121.117 1.00 0.00 ATOM 202 O GLU 26 -19.729 3.292 119.429 1.00 0.00 ATOM 203 C GLU 26 -18.903 2.593 118.839 1.00 0.00 ATOM 204 N LEU 27 -18.807 2.570 117.515 1.00 0.00 ATOM 205 CA LEU 27 -19.729 3.338 116.687 1.00 0.00 ATOM 206 CB LEU 27 -18.959 4.278 115.758 1.00 0.00 ATOM 207 CG LEU 27 -18.067 5.321 116.435 1.00 0.00 ATOM 208 CD1 LEU 27 -17.266 6.096 115.401 1.00 0.00 ATOM 209 CD2 LEU 27 -18.906 6.312 117.228 1.00 0.00 ATOM 210 O LEU 27 -20.092 1.352 115.389 1.00 0.00 ATOM 211 C LEU 27 -20.576 2.394 115.836 1.00 0.00 ATOM 212 N ILE 28 -21.852 2.725 115.648 1.00 0.00 ATOM 213 CA ILE 28 -22.759 1.869 114.886 1.00 0.00 ATOM 214 CB ILE 28 -24.015 1.509 115.702 1.00 0.00 ATOM 215 CG1 ILE 28 -23.624 0.779 116.988 1.00 0.00 ATOM 216 CG2 ILE 28 -24.934 0.605 114.895 1.00 0.00 ATOM 217 CD1 ILE 28 -22.902 -0.529 116.753 1.00 0.00 ATOM 218 O ILE 28 -23.382 3.805 113.601 1.00 0.00 ATOM 219 C ILE 28 -23.212 2.576 113.612 1.00 0.00 ATOM 220 N CYS 29 -23.445 1.794 112.556 1.00 0.00 ATOM 221 CA CYS 29 -23.963 2.336 111.301 1.00 0.00 ATOM 222 CB CYS 29 -23.369 1.585 110.107 1.00 0.00 ATOM 223 SG CYS 29 -23.935 2.178 108.496 1.00 0.00 ATOM 224 O CYS 29 -26.049 1.147 111.470 1.00 0.00 ATOM 225 C CYS 29 -25.484 2.214 111.222 1.00 0.00 ATOM 226 N LYS 30 -26.151 3.301 110.850 1.00 0.00 ATOM 227 CA LYS 30 -27.609 3.303 110.757 1.00 0.00 ATOM 228 CB LYS 30 -28.139 4.736 110.682 1.00 0.00 ATOM 229 CG LYS 30 -27.907 5.551 111.945 1.00 0.00 ATOM 230 CD LYS 30 -28.323 7.000 111.751 1.00 0.00 ATOM 231 CE LYS 30 -29.812 7.114 111.470 1.00 0.00 ATOM 232 NZ LYS 30 -30.254 8.533 111.382 1.00 0.00 ATOM 233 O LYS 30 -29.292 2.444 109.261 1.00 0.00 ATOM 234 C LYS 30 -28.088 2.556 109.510 1.00 0.00 ATOM 235 N GLY 31 -27.150 2.009 108.741 1.00 0.00 ATOM 236 CA GLY 31 -27.501 1.309 107.514 1.00 0.00 ATOM 237 O GLY 31 -29.155 -0.292 108.168 1.00 0.00 ATOM 238 C GLY 31 -28.010 -0.103 107.751 1.00 0.00 ATOM 239 N ASP 32 -27.186 -1.103 107.444 1.00 0.00 ATOM 240 CA ASP 32 -27.542 -2.496 107.702 1.00 0.00 ATOM 241 CB ASP 32 -26.686 -3.435 106.850 1.00 0.00 ATOM 242 CG ASP 32 -27.061 -3.393 105.381 1.00 0.00 ATOM 243 OD1 ASP 32 -28.137 -2.849 105.058 1.00 0.00 ATOM 244 OD2 ASP 32 -26.278 -3.905 104.554 1.00 0.00 ATOM 245 O ASP 32 -27.870 -3.813 109.684 1.00 0.00 ATOM 246 C ASP 32 -27.318 -2.837 109.171 1.00 0.00 ATOM 247 N ARG 33 -26.471 -2.054 109.833 1.00 0.00 ATOM 248 CA ARG 33 -26.247 -2.200 111.266 1.00 0.00 ATOM 249 CB ARG 33 -27.363 -3.032 111.901 1.00 0.00 ATOM 250 CG ARG 33 -28.722 -2.351 111.902 1.00 0.00 ATOM 251 CD ARG 33 -29.784 -3.239 112.530 1.00 0.00 ATOM 252 NE ARG 33 -31.102 -2.608 112.516 1.00 0.00 ATOM 253 CZ ARG 33 -32.215 -3.196 112.942 1.00 0.00 ATOM 254 NH1 ARG 33 -33.369 -2.545 112.891 1.00 0.00 ATOM 255 NH2 ARG 33 -32.172 -4.433 113.418 1.00 0.00 ATOM 256 O ARG 33 -24.921 -3.786 112.467 1.00 0.00 ATOM 257 C ARG 33 -24.934 -2.889 111.618 1.00 0.00 ATOM 258 N LEU 34 -23.834 -2.521 110.963 1.00 0.00 ATOM 259 CA LEU 34 -22.537 -3.069 111.353 1.00 0.00 ATOM 260 CB LEU 34 -21.672 -3.329 110.118 1.00 0.00 ATOM 261 CG LEU 34 -20.265 -3.870 110.378 1.00 0.00 ATOM 262 CD1 LEU 34 -20.328 -5.275 110.959 1.00 0.00 ATOM 263 CD2 LEU 34 -19.463 -3.926 109.087 1.00 0.00 ATOM 264 O LEU 34 -21.782 -0.881 111.977 1.00 0.00 ATOM 265 C LEU 34 -21.814 -2.084 112.260 1.00 0.00 ATOM 266 N ALA 35 -21.290 -2.565 113.380 1.00 0.00 ATOM 267 CA ALA 35 -20.630 -1.663 114.311 1.00 0.00 ATOM 268 CB ALA 35 -21.005 -2.012 115.743 1.00 0.00 ATOM 269 O ALA 35 -18.569 -2.529 113.420 1.00 0.00 ATOM 270 C ALA 35 -19.117 -1.740 114.196 1.00 0.00 ATOM 271 N PHE 36 -18.450 -0.869 114.942 1.00 0.00 ATOM 272 CA PHE 36 -16.999 -0.884 115.008 1.00 0.00 ATOM 273 CB PHE 36 -16.399 -0.262 113.745 1.00 0.00 ATOM 274 CG PHE 36 -14.901 -0.357 113.676 1.00 0.00 ATOM 275 CD1 PHE 36 -14.286 -1.529 113.271 1.00 0.00 ATOM 276 CD2 PHE 36 -14.108 0.725 114.016 1.00 0.00 ATOM 277 CE1 PHE 36 -12.908 -1.616 113.207 1.00 0.00 ATOM 278 CE2 PHE 36 -12.730 0.637 113.952 1.00 0.00 ATOM 279 CZ PHE 36 -12.130 -0.527 113.550 1.00 0.00 ATOM 280 O PHE 36 -16.925 1.044 116.431 1.00 0.00 ATOM 281 C PHE 36 -16.501 -0.093 116.211 1.00 0.00 ATOM 282 N PRO 37 -15.655 -0.703 117.049 1.00 0.00 ATOM 283 CA PRO 37 -15.118 -0.018 118.223 1.00 0.00 ATOM 284 CB PRO 37 -14.582 -1.151 119.100 1.00 0.00 ATOM 285 CG PRO 37 -14.182 -2.215 118.133 1.00 0.00 ATOM 286 CD PRO 37 -15.187 -2.162 117.016 1.00 0.00 ATOM 287 O PRO 37 -13.255 0.634 116.870 1.00 0.00 ATOM 288 C PRO 37 -14.018 0.942 117.790 1.00 0.00 ATOM 289 N ILE 38 -13.893 2.077 118.460 1.00 0.00 ATOM 290 CA ILE 38 -12.915 3.067 118.033 1.00 0.00 ATOM 291 CB ILE 38 -13.237 4.461 118.603 1.00 0.00 ATOM 292 CG1 ILE 38 -13.136 4.450 120.129 1.00 0.00 ATOM 293 CG2 ILE 38 -14.647 4.881 118.216 1.00 0.00 ATOM 294 CD1 ILE 38 -13.216 5.824 120.756 1.00 0.00 ATOM 295 O ILE 38 -10.590 3.529 118.362 1.00 0.00 ATOM 296 C ILE 38 -11.504 2.712 118.490 1.00 0.00 ATOM 297 N LYS 39 -11.316 1.489 118.973 1.00 0.00 ATOM 298 CA LYS 39 -9.988 1.014 119.348 1.00 0.00 ATOM 299 CB LYS 39 -10.081 0.029 120.515 1.00 0.00 ATOM 300 CG LYS 39 -8.736 -0.478 121.008 1.00 0.00 ATOM 301 CD LYS 39 -8.903 -1.459 122.157 1.00 0.00 ATOM 302 CE LYS 39 -7.558 -1.981 122.637 1.00 0.00 ATOM 303 NZ LYS 39 -7.711 -3.029 123.684 1.00 0.00 ATOM 304 O LYS 39 -8.285 0.770 117.671 1.00 0.00 ATOM 305 C LYS 39 -9.306 0.301 118.177 1.00 0.00 ATOM 306 N ASP 40 -9.842 -0.852 117.774 1.00 0.00 ATOM 307 CA ASP 40 -9.322 -1.606 116.632 1.00 0.00 ATOM 308 CB ASP 40 -9.575 -3.103 116.819 1.00 0.00 ATOM 309 CG ASP 40 -8.789 -3.687 117.976 1.00 0.00 ATOM 310 OD1 ASP 40 -7.576 -3.405 118.073 1.00 0.00 ATOM 311 OD2 ASP 40 -9.386 -4.427 118.786 1.00 0.00 ATOM 312 O ASP 40 -9.302 -0.763 114.378 1.00 0.00 ATOM 313 C ASP 40 -9.984 -1.183 115.318 1.00 0.00 ATOM 314 N GLY 41 -11.308 -1.311 115.239 1.00 0.00 ATOM 315 CA GLY 41 -12.030 -1.004 114.012 1.00 0.00 ATOM 316 O GLY 41 -13.583 -2.099 112.549 1.00 0.00 ATOM 317 C GLY 41 -12.730 -2.221 113.431 1.00 0.00 ATOM 318 N ILE 42 -12.330 -3.398 113.906 1.00 0.00 ATOM 319 CA ILE 42 -12.934 -4.669 113.515 1.00 0.00 ATOM 320 CB ILE 42 -12.364 -5.841 114.336 1.00 0.00 ATOM 321 CG1 ILE 42 -12.663 -5.645 115.823 1.00 0.00 ATOM 322 CG2 ILE 42 -10.857 -5.935 114.155 1.00 0.00 ATOM 323 CD1 ILE 42 -12.290 -6.833 116.683 1.00 0.00 ATOM 324 O ILE 42 -14.923 -3.787 114.505 1.00 0.00 ATOM 325 C ILE 42 -14.440 -4.619 113.739 1.00 0.00 ATOM 326 N PRO 43 -15.212 -5.461 113.044 1.00 0.00 ATOM 327 CA PRO 43 -16.661 -5.469 113.225 1.00 0.00 ATOM 328 CB PRO 43 -17.193 -6.077 111.926 1.00 0.00 ATOM 329 CG PRO 43 -16.136 -7.043 111.505 1.00 0.00 ATOM 330 CD PRO 43 -14.823 -6.408 111.869 1.00 0.00 ATOM 331 O PRO 43 -17.659 -7.377 114.289 1.00 0.00 ATOM 332 C PRO 43 -17.066 -6.304 114.434 1.00 0.00 ATOM 333 N MET 44 -16.746 -5.794 115.619 1.00 0.00 ATOM 334 CA MET 44 -16.989 -6.492 116.878 1.00 0.00 ATOM 335 CB MET 44 -16.819 -5.537 118.061 1.00 0.00 ATOM 336 CG MET 44 -16.901 -6.213 119.421 1.00 0.00 ATOM 337 SD MET 44 -15.544 -7.366 119.707 1.00 0.00 ATOM 338 CE MET 44 -14.169 -6.232 119.886 1.00 0.00 ATOM 339 O MET 44 -18.657 -7.894 117.867 1.00 0.00 ATOM 340 C MET 44 -18.392 -7.081 116.978 1.00 0.00 ATOM 341 N MET 45 -19.311 -6.656 116.118 1.00 0.00 ATOM 342 CA MET 45 -20.649 -7.235 116.136 1.00 0.00 ATOM 343 CB MET 45 -21.325 -6.980 117.485 1.00 0.00 ATOM 344 CG MET 45 -21.616 -5.515 117.765 1.00 0.00 ATOM 345 SD MET 45 -22.373 -5.253 119.381 1.00 0.00 ATOM 346 CE MET 45 -20.944 -5.391 120.451 1.00 0.00 ATOM 347 O MET 45 -21.371 -5.525 114.595 1.00 0.00 ATOM 348 C MET 45 -21.563 -6.657 115.058 1.00 0.00 ATOM 349 N LEU 46 -22.578 -7.435 114.689 1.00 0.00 ATOM 350 CA LEU 46 -23.535 -7.041 113.659 1.00 0.00 ATOM 351 CB LEU 46 -23.364 -7.907 112.409 1.00 0.00 ATOM 352 CG LEU 46 -24.286 -7.586 111.231 1.00 0.00 ATOM 353 CD1 LEU 46 -24.059 -6.164 110.742 1.00 0.00 ATOM 354 CD2 LEU 46 -24.026 -8.535 110.071 1.00 0.00 ATOM 355 O LEU 46 -25.516 -8.308 114.133 1.00 0.00 ATOM 356 C LEU 46 -24.969 -7.205 114.168 1.00 0.00 ATOM 357 N GLU 47 -25.605 -6.104 114.565 1.00 0.00 ATOM 358 CA GLU 47 -26.940 -6.150 115.166 1.00 0.00 ATOM 359 CB GLU 47 -27.507 -4.737 115.320 1.00 0.00 ATOM 360 CG GLU 47 -26.745 -3.867 116.306 1.00 0.00 ATOM 361 CD GLU 47 -27.383 -2.504 116.494 1.00 0.00 ATOM 362 OE1 GLU 47 -27.531 -1.774 115.491 1.00 0.00 ATOM 363 OE2 GLU 47 -27.735 -2.167 117.644 1.00 0.00 ATOM 364 O GLU 47 -29.053 -7.247 114.881 1.00 0.00 ATOM 365 C GLU 47 -27.976 -6.941 114.364 1.00 0.00 ATOM 366 N SER 48 -27.657 -7.309 113.127 1.00 0.00 ATOM 367 CA SER 48 -28.601 -8.050 112.291 1.00 0.00 ATOM 368 CB SER 48 -28.496 -7.597 110.833 1.00 0.00 ATOM 369 OG SER 48 -28.747 -6.208 110.711 1.00 0.00 ATOM 370 O SER 48 -29.291 -10.333 112.560 1.00 0.00 ATOM 371 C SER 48 -28.361 -9.559 112.311 1.00 0.00 ATOM 372 N GLU 49 -27.141 -9.992 112.005 1.00 0.00 ATOM 373 CA GLU 49 -26.835 -11.421 111.985 1.00 0.00 ATOM 374 CB GLU 49 -26.489 -11.875 110.565 1.00 0.00 ATOM 375 CG GLU 49 -27.696 -12.046 109.657 1.00 0.00 ATOM 376 CD GLU 49 -28.385 -13.383 109.850 1.00 0.00 ATOM 377 OE1 GLU 49 -27.935 -14.164 110.715 1.00 0.00 ATOM 378 OE2 GLU 49 -29.375 -13.649 109.137 1.00 0.00 ATOM 379 O GLU 49 -24.502 -11.743 112.433 1.00 0.00 ATOM 380 C GLU 49 -25.649 -11.748 112.885 1.00 0.00 ATOM 381 N ALA 50 -25.914 -12.048 114.154 1.00 0.00 ATOM 382 CA ALA 50 -24.847 -12.423 115.075 1.00 0.00 ATOM 383 CB ALA 50 -25.401 -12.612 116.479 1.00 0.00 ATOM 384 O ALA 50 -23.307 -14.252 115.293 1.00 0.00 ATOM 385 C ALA 50 -24.202 -13.728 114.624 1.00 0.00 ATOM 386 N ARG 51 -24.635 -14.223 113.465 1.00 0.00 ATOM 387 CA ARG 51 -24.163 -15.501 112.942 1.00 0.00 ATOM 388 CB ARG 51 -25.333 -16.468 112.754 1.00 0.00 ATOM 389 CG ARG 51 -25.973 -16.929 114.054 1.00 0.00 ATOM 390 CD ARG 51 -27.225 -17.750 113.793 1.00 0.00 ATOM 391 NE ARG 51 -27.775 -18.316 115.022 1.00 0.00 ATOM 392 CZ ARG 51 -28.551 -17.648 115.870 1.00 0.00 ATOM 393 NH1 ARG 51 -29.005 -18.245 116.964 1.00 0.00 ATOM 394 NH2 ARG 51 -28.870 -16.385 115.623 1.00 0.00 ATOM 395 O ARG 51 -23.212 -16.322 110.904 1.00 0.00 ATOM 396 C ARG 51 -23.472 -15.331 111.590 1.00 0.00 ATOM 397 N GLU 52 -23.198 -14.090 111.188 1.00 0.00 ATOM 398 CA GLU 52 -22.603 -13.828 109.878 1.00 0.00 ATOM 399 CB GLU 52 -22.503 -12.322 109.627 1.00 0.00 ATOM 400 CG GLU 52 -23.845 -11.610 109.578 1.00 0.00 ATOM 401 CD GLU 52 -24.620 -11.915 108.311 1.00 0.00 ATOM 402 OE1 GLU 52 -24.070 -12.609 107.430 1.00 0.00 ATOM 403 OE2 GLU 52 -25.777 -11.459 108.198 1.00 0.00 ATOM 404 O GLU 52 -20.652 -14.958 110.715 1.00 0.00 ATOM 405 C GLU 52 -21.197 -14.408 109.754 1.00 0.00 ATOM 406 N LEU 53 -20.597 -14.267 108.575 1.00 0.00 ATOM 407 CA LEU 53 -19.284 -14.846 108.309 1.00 0.00 ATOM 408 CB LEU 53 -19.326 -15.713 107.049 1.00 0.00 ATOM 409 CG LEU 53 -20.273 -16.914 107.084 1.00 0.00 ATOM 410 CD1 LEU 53 -20.307 -17.612 105.733 1.00 0.00 ATOM 411 CD2 LEU 53 -19.822 -17.924 108.129 1.00 0.00 ATOM 412 O LEU 53 -17.074 -14.069 107.783 1.00 0.00 ATOM 413 C LEU 53 -18.227 -13.764 108.099 1.00 0.00 ATOM 414 N ALA 54 -18.618 -12.500 108.249 1.00 0.00 ATOM 415 CA ALA 54 -17.700 -11.385 108.026 1.00 0.00 ATOM 416 CB ALA 54 -18.398 -10.267 107.267 1.00 0.00 ATOM 417 O ALA 54 -16.125 -10.179 109.377 1.00 0.00 ATOM 418 C ALA 54 -17.186 -10.809 109.343 1.00 0.00 ATOM 419 N PRO 55 -17.907 -11.021 110.448 1.00 0.00 ATOM 420 CA PRO 55 -17.481 -10.500 111.748 1.00 0.00 ATOM 421 CB PRO 55 -18.503 -11.075 112.730 1.00 0.00 ATOM 422 CG PRO 55 -19.731 -11.288 111.910 1.00 0.00 ATOM 423 CD PRO 55 -19.256 -11.758 110.563 1.00 0.00 ATOM 424 O PRO 55 -15.662 -12.066 111.876 1.00 0.00 ATOM 425 C PRO 55 -16.068 -10.930 112.132 1.00 0.00 ATOM 426 N GLU 56 -15.329 -10.025 112.768 1.00 0.00 ATOM 427 CA GLU 56 -13.963 -10.295 113.206 1.00 0.00 ATOM 428 CB GLU 56 -13.945 -11.422 114.241 1.00 0.00 ATOM 429 CG GLU 56 -14.668 -11.088 115.535 1.00 0.00 ATOM 430 CD GLU 56 -14.663 -12.240 116.520 1.00 0.00 ATOM 431 OE1 GLU 56 -14.067 -13.291 116.202 1.00 0.00 ATOM 432 OE2 GLU 56 -15.255 -12.093 117.610 1.00 0.00 ATOM 433 O GLU 56 -11.848 -10.929 112.272 1.00 0.00 ATOM 434 C GLU 56 -13.045 -10.719 112.062 1.00 0.00 ATOM 435 N GLU 57 -13.581 -10.811 110.848 1.00 0.00 ATOM 436 CA GLU 57 -12.763 -11.140 109.683 1.00 0.00 ATOM 437 CB GLU 57 -13.350 -12.340 108.938 1.00 0.00 ATOM 438 CG GLU 57 -13.356 -13.629 109.744 1.00 0.00 ATOM 439 CD GLU 57 -13.922 -14.801 108.966 1.00 0.00 ATOM 440 OE1 GLU 57 -14.262 -14.616 107.778 1.00 0.00 ATOM 441 OE2 GLU 57 -14.026 -15.903 109.544 1.00 0.00 ATOM 442 O GLU 57 -12.023 -10.025 107.672 1.00 0.00 ATOM 443 C GLU 57 -12.694 -9.962 108.708 1.00 0.00 ATOM 444 N GLU 58 -13.345 -8.857 109.066 1.00 0.00 ATOM 445 CA GLU 58 -13.402 -7.683 108.199 1.00 0.00 ATOM 446 CB GLU 58 -14.842 -7.184 108.066 1.00 0.00 ATOM 447 CG GLU 58 -15.764 -8.138 107.324 1.00 0.00 ATOM 448 CD GLU 58 -15.312 -8.395 105.900 1.00 0.00 ATOM 449 OE1 GLU 58 -15.119 -7.413 105.152 1.00 0.00 ATOM 450 OE2 GLU 58 -15.151 -9.577 105.532 1.00 0.00 ATOM 451 O GLU 58 -13.107 -5.490 109.083 1.00 0.00 ATOM 452 C GLU 58 -12.557 -6.542 108.756 1.00 0.00 ATOM 453 N VAL 59 -11.239 -6.724 108.830 1.00 0.00 ATOM 454 CA VAL 59 -10.348 -5.658 109.291 1.00 0.00 ATOM 455 CB VAL 59 -11.116 -4.345 109.533 1.00 0.00 ATOM 456 CG1 VAL 59 -10.190 -3.284 110.106 1.00 0.00 ATOM 457 CG2 VAL 59 -11.699 -3.821 108.230 1.00 0.00 ATOM 458 O VAL 59 -9.570 -5.243 111.525 1.00 0.00 ATOM 459 C VAL 59 -9.672 -6.056 110.603 1.00 0.00 ATOM 460 N LYS 60 -9.167 -7.286 110.661 1.00 0.00 ATOM 461 CA LYS 60 -8.584 -7.842 111.882 1.00 0.00 ATOM 462 CB LYS 60 -8.261 -9.326 111.694 1.00 0.00 ATOM 463 CG LYS 60 -7.694 -9.999 112.933 1.00 0.00 ATOM 464 CD LYS 60 -7.477 -11.486 112.703 1.00 0.00 ATOM 465 CE LYS 60 -6.878 -12.153 113.931 1.00 0.00 ATOM 466 NZ LYS 60 -6.609 -13.599 113.701 1.00 0.00 ATOM 467 O LYS 60 -7.139 -6.778 113.473 1.00 0.00 ATOM 468 C LYS 60 -7.285 -7.160 112.309 1.00 0.00 ATOM 469 N LEU 61 -6.327 -7.035 111.395 1.00 0.00 ATOM 470 CA LEU 61 -5.027 -6.464 111.741 1.00 0.00 ATOM 471 CB LEU 61 -3.970 -7.565 111.851 1.00 0.00 ATOM 472 CG LEU 61 -4.164 -8.580 112.979 1.00 0.00 ATOM 473 CD1 LEU 61 -3.157 -9.714 112.860 1.00 0.00 ATOM 474 CD2 LEU 61 -3.977 -7.918 114.336 1.00 0.00 ATOM 475 O LEU 61 -3.545 -5.706 110.018 1.00 0.00 ATOM 476 C LEU 61 -4.547 -5.464 110.694 1.00 0.00 ATOM 477 N GLU 62 -5.261 -4.353 110.543 1.00 0.00 ATOM 478 CA GLU 62 -4.834 -3.307 109.621 1.00 0.00 ATOM 479 CB GLU 62 -3.516 -3.693 108.946 1.00 0.00 ATOM 480 CG GLU 62 -2.960 -2.628 108.015 1.00 0.00 ATOM 481 CD GLU 62 -1.630 -3.023 107.406 1.00 0.00 ATOM 482 OE1 GLU 62 -1.136 -4.126 107.721 1.00 0.00 ATOM 483 OE2 GLU 62 -1.080 -2.229 106.614 1.00 0.00 ATOM 484 O GLU 62 -6.439 -4.001 107.975 1.00 0.00 ATOM 485 C GLU 62 -5.861 -3.059 108.521 1.00 0.00 ATOM 486 N HIS 63 -6.061 -1.793 108.168 1.00 0.00 ATOM 487 CA HIS 63 -6.967 -1.447 107.079 1.00 0.00 ATOM 488 CB HIS 63 -7.996 -2.559 106.864 1.00 0.00 ATOM 489 CG HIS 63 -7.398 -3.858 106.422 1.00 0.00 ATOM 490 CD2 HIS 63 -7.150 -5.151 107.042 1.00 0.00 ATOM 491 ND1 HIS 63 -6.913 -4.058 105.148 1.00 0.00 ATOM 492 CE1 HIS 63 -6.443 -5.314 105.051 1.00 0.00 ATOM 493 NE2 HIS 63 -6.582 -5.976 106.183 1.00 0.00 ATOM 494 O HIS 63 -7.536 0.837 106.650 1.00 0.00 ATOM 495 C HIS 63 -7.738 -0.159 107.347 1.00 0.00 ATOM 496 N HIS 64 -8.599 -0.151 108.363 1.00 0.00 ATOM 497 CA HIS 64 -9.425 1.026 108.632 1.00 0.00 ATOM 498 CB HIS 64 -10.899 0.632 108.744 1.00 0.00 ATOM 499 CG HIS 64 -11.487 0.121 107.465 1.00 0.00 ATOM 500 CD2 HIS 64 -12.255 0.699 106.372 1.00 0.00 ATOM 501 ND1 HIS 64 -11.368 -1.192 107.064 1.00 0.00 ATOM 502 CE1 HIS 64 -11.994 -1.347 105.883 1.00 0.00 ATOM 503 NE2 HIS 64 -12.528 -0.217 105.462 1.00 0.00 ATOM 504 O HIS 64 -8.020 1.456 110.537 1.00 0.00 ATOM 505 C HIS 64 -9.055 1.740 109.931 1.00 0.00 ATOM 506 N HIS 65 -9.922 2.648 110.371 1.00 0.00 ATOM 507 CA HIS 65 -9.670 3.458 111.562 1.00 0.00 ATOM 508 CB HIS 65 -9.639 2.577 112.812 1.00 0.00 ATOM 509 CG HIS 65 -9.789 3.339 114.092 1.00 0.00 ATOM 510 CD2 HIS 65 -10.891 3.652 114.991 1.00 0.00 ATOM 511 ND1 HIS 65 -8.731 3.962 114.717 1.00 0.00 ATOM 512 CE1 HIS 65 -9.174 4.560 115.837 1.00 0.00 ATOM 513 NE2 HIS 65 -10.469 4.378 116.008 1.00 0.00 ATOM 514 O HIS 65 -7.469 3.956 112.361 1.00 0.00 ATOM 515 C HIS 65 -8.345 4.217 111.533 1.00 0.00 ATOM 516 N HIS 66 -8.174 5.146 110.593 1.00 0.00 ATOM 517 CA HIS 66 -6.967 5.972 110.564 1.00 0.00 ATOM 518 CB HIS 66 -5.716 5.096 110.659 1.00 0.00 ATOM 519 CG HIS 66 -5.519 4.195 109.480 1.00 0.00 ATOM 520 CD2 HIS 66 -4.691 4.218 108.282 1.00 0.00 ATOM 521 ND1 HIS 66 -6.205 3.010 109.325 1.00 0.00 ATOM 522 CE1 HIS 66 -5.817 2.426 108.177 1.00 0.00 ATOM 523 NE2 HIS 66 -4.909 3.145 107.547 1.00 0.00 ATOM 524 O HIS 66 -7.880 7.278 108.777 1.00 0.00 ATOM 525 C HIS 66 -6.866 6.786 109.280 1.00 0.00 ATOM 526 N HIS 67 -5.656 6.893 108.736 1.00 0.00 ATOM 527 CA HIS 67 -5.421 7.714 107.554 1.00 0.00 ATOM 528 CB HIS 67 -4.039 8.368 107.622 1.00 0.00 ATOM 529 CG HIS 67 -3.895 9.362 108.731 1.00 0.00 ATOM 530 CD2 HIS 67 -3.318 9.350 110.068 1.00 0.00 ATOM 531 ND1 HIS 67 -4.365 10.654 108.639 1.00 0.00 ATOM 532 CE1 HIS 67 -4.090 11.303 109.785 1.00 0.00 ATOM 533 NE2 HIS 67 -3.462 10.526 110.646 1.00 0.00 ATOM 534 O HIS 67 -5.261 5.691 106.273 1.00 0.00 ATOM 535 C HIS 67 -5.481 6.904 106.264 1.00 0.00 ATOM 536 N HIS 68 -5.795 7.570 105.154 1.00 0.00 ATOM 537 CA HIS 68 -5.842 6.907 103.853 1.00 0.00 ATOM 538 CB HIS 68 -6.643 7.744 102.854 1.00 0.00 ATOM 539 CG HIS 68 -8.074 7.945 103.244 1.00 0.00 ATOM 540 CD2 HIS 68 -8.891 9.082 103.645 1.00 0.00 ATOM 541 ND1 HIS 68 -8.985 6.913 103.289 1.00 0.00 ATOM 542 CE1 HIS 68 -10.180 7.400 103.670 1.00 0.00 ATOM 543 NE2 HIS 68 -10.130 8.700 103.886 1.00 0.00 ATOM 544 O HIS 68 -4.186 5.734 102.575 1.00 0.00 ATOM 545 C HIS 68 -4.440 6.707 103.288 1.00 0.00 ENDMDL