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*** ESTRONE 2LP1 DOCK ***elNémo ID: 210329034338140420Job options:ID = 210329034338140420 JOBID = ESTRONE 2LP1 DOCK USERID = NIK PRIVAT = 0 NMODES = 5 DQMIN = -50 DQMAX = 50 DQSTEP = 20 DOGRAPHS = on DOPROJMODS = 0 DORMSD = 0 NRBL = 0 CUTOFF = 0 CAONLY = 0 Input data for this run:HEADER ESTRONE 2LP1 DOCK ATOM 1 N VAL 1 74.289 12.412 -7.263 1.00 0.00 ATOM 2 CA VAL 1 73.330 11.584 -7.986 1.00 0.00 ATOM 3 C VAL 1 71.902 11.932 -7.571 1.00 0.00 ATOM 4 O VAL 1 71.602 12.029 -6.380 1.00 0.00 ATOM 5 CB VAL 1 73.602 10.101 -7.703 1.00 0.00 ATOM 6 CG1 VAL 1 72.662 9.235 -8.549 1.00 0.00 ATOM 7 CG2 VAL 1 75.056 9.768 -8.055 1.00 0.00 ATOM 8 HA VAL 1 73.441 11.765 -9.046 1.00 99.99 ATOM 9 HB VAL 1 73.431 9.898 -6.657 1.00 99.99 ATOM 10 HG11 VAL 1 72.656 9.597 -9.567 1.00 99.99 ATOM 11 HG12 VAL 1 71.664 9.284 -8.143 1.00 99.99 ATOM 12 HG13 VAL 1 73.006 8.210 -8.535 1.00 99.99 ATOM 13 HG21 VAL 1 75.710 10.160 -7.291 1.00 99.99 ATOM 14 HG22 VAL 1 75.308 10.210 -9.007 1.00 99.99 ATOM 15 HG23 VAL 1 75.176 8.695 -8.114 1.00 99.99 ATOM 16 N HIS 2 71.002 11.973 -8.551 1.00 0.00 ATOM 17 CA HIS 2 69.604 12.302 -8.287 1.00 0.00 ATOM 18 C HIS 2 68.770 11.030 -8.143 1.00 0.00 ATOM 19 O HIS 2 69.313 9.924 -8.120 1.00 0.00 ATOM 20 CB HIS 2 69.047 13.157 -9.430 1.00 0.00 ATOM 21 CG HIS 2 67.875 13.961 -8.937 1.00 0.00 ATOM 22 ND1 HIS 2 66.602 13.809 -9.464 1.00 0.00 ATOM 23 CD2 HIS 2 67.738 14.827 -7.879 1.00 0.00 ATOM 24 CE1 HIS 2 65.752 14.488 -8.675 1.00 0.00 ATOM 25 NE2 HIS 2 66.397 15.161 -7.718 1.00 0.00 ATOM 26 H HIS 2 71.280 11.764 -9.467 1.00 99.99 ATOM 27 HA HIS 2 69.544 12.865 -7.366 1.00 99.99 ATOM 28 HB2 HIS 2 69.816 13.825 -9.787 1.00 99.99 ATOM 29 HB3 HIS 2 68.727 12.514 -10.238 1.00 99.99 ATOM 30 HD2 HIS 2 68.555 15.241 -7.306 1.00 99.99 ATOM 31 HE1 HIS 2 64.678 14.477 -8.789 1.00 99.99 ATOM 32 HE2 HIS 2 66.019 15.821 -7.099 1.00 99.99 ATOM 33 N HIS 3 67.471 11.204 -7.909 1.00 0.00 ATOM 34 CA HIS 3 66.552 10.072 -7.837 1.00 0.00 ATOM 35 C HIS 3 65.470 10.184 -8.909 1.00 0.00 ATOM 36 O HIS 3 65.289 11.247 -9.506 1.00 0.00 ATOM 37 CB HIS 3 65.902 10.017 -6.450 1.00 0.00 ATOM 38 CG HIS 3 64.934 11.160 -6.297 1.00 0.00 ATOM 39 ND1 HIS 3 65.360 12.477 -6.221 1.00 0.00 ATOM 40 CD2 HIS 3 63.567 11.223 -6.425 1.00 0.00 ATOM 41 CE1 HIS 3 64.265 13.238 -6.056 1.00 0.00 ATOM 42 NE2 HIS 3 63.151 12.547 -6.306 1.00 0.00 ATOM 43 H HIS 3 67.129 12.110 -7.755 1.00 99.99 ATOM 44 HA HIS 3 67.106 9.159 -7.997 1.00 99.99 ATOM 45 HB2 HIS 3 65.373 9.081 -6.338 1.00 99.99 ATOM 46 HB3 HIS 3 66.667 10.090 -5.692 1.00 99.99 ATOM 47 HD2 HIS 3 62.937 10.402 -6.730 1.00 99.99 ATOM 48 HE1 HIS 3 64.280 14.249 -5.676 1.00 99.99 ATOM 49 HE2 HIS 3 62.232 12.887 -6.329 1.00 99.99 ATOM 50 N GLN 4 64.622 9.160 -8.986 1.00 0.00 ATOM 51 CA GLN 4 63.503 9.167 -9.922 1.00 0.00 ATOM 52 C GLN 4 62.346 8.333 -9.375 1.00 0.00 ATOM 53 O GLN 4 62.256 7.134 -9.643 1.00 0.00 ATOM 54 CB GLN 4 63.956 8.607 -11.277 1.00 0.00 ATOM 55 CG GLN 4 62.880 8.880 -12.334 1.00 0.00 ATOM 56 CD GLN 4 63.358 8.418 -13.710 1.00 0.00 ATOM 57 OE1 GLN 4 62.610 8.499 -14.684 1.00 0.00 ATOM 58 NE2 GLN 4 64.567 7.944 -13.853 1.00 0.00 ATOM 59 H GLN 4 64.746 8.390 -8.392 1.00 99.99 ATOM 60 HA GLN 4 63.166 10.184 -10.059 1.00 99.99 ATOM 61 HB2 GLN 4 64.878 9.086 -11.571 1.00 99.99 ATOM 62 HB3 GLN 4 64.115 7.542 -11.192 1.00 99.99 ATOM 63 HG2 GLN 4 61.978 8.346 -12.072 1.00 99.99 ATOM 64 HG3 GLN 4 62.671 9.939 -12.366 1.00 99.99 ATOM 65 HE21 GLN 4 65.150 7.844 -13.072 1.00 99.99 ATOM 66 HE22 GLN 4 64.892 7.691 -14.742 1.00 99.99 ATOM 67 N LYS 5 61.607 8.918 -8.433 1.00 0.00 ATOM 68 CA LYS 5 60.470 8.233 -7.822 1.00 0.00 ATOM 69 C LYS 5 59.168 8.633 -8.513 1.00 0.00 ATOM 70 O LYS 5 58.082 8.270 -8.058 1.00 0.00 ATOM 71 CB LYS 5 60.394 8.580 -6.329 1.00 0.00 ATOM 72 CG LYS 5 60.653 7.322 -5.493 1.00 0.00 ATOM 73 CD LYS 5 60.438 7.637 -4.007 1.00 0.00 ATOM 74 CE LYS 5 59.400 6.674 -3.420 1.00 0.00 ATOM 75 NZ LYS 5 59.962 5.294 -3.388 1.00 0.00 ATOM 76 H LYS 5 61.825 9.831 -8.151 1.00 99.99 ATOM 77 HA LYS 5 60.605 7.166 -7.927 1.00 99.99 ATOM 78 HB2 LYS 5 61.139 9.326 -6.095 1.00 99.99 ATOM 79 HB3 LYS 5 59.413 8.969 -6.098 1.00 99.99 ATOM 80 HG2 LYS 5 59.973 6.541 -5.799 1.00 99.99 ATOM 81 HG3 LYS 5 61.670 6.992 -5.646 1.00 99.99 ATOM 82 HD2 LYS 5 61.372 7.524 -3.477 1.00 99.99 ATOM 83 HD3 LYS 5 60.085 8.652 -3.901 1.00 99.99 ATOM 84 HE2 LYS 5 59.151 6.984 -2.416 1.00 99.99 ATOM 85 HE3 LYS 5 58.510 6.687 -4.031 1.00 99.99 ATOM 86 HZ1 LYS 5 60.311 5.040 -4.333 1.00 99.99 ATOM 87 HZ2 LYS 5 59.219 4.625 -3.101 1.00 99.99 ATOM 88 HZ3 LYS 5 60.746 5.255 -2.706 1.00 99.99 ATOM 89 N LEU 6 59.296 9.159 -9.729 1.00 0.00 ATOM 90 CA LEU 6 58.130 9.483 -10.544 1.00 0.00 ATOM 91 C LEU 6 57.438 8.209 -11.026 1.00 0.00 ATOM 92 O LEU 6 56.237 8.218 -11.300 1.00 0.00 ATOM 93 CB LEU 6 58.560 10.325 -11.752 1.00 0.00 ATOM 94 CG LEU 6 58.345 11.814 -11.448 1.00 0.00 ATOM 95 CD1 LEU 6 59.152 12.212 -10.206 1.00 0.00 ATOM 96 CD2 LEU 6 58.803 12.653 -12.645 1.00 0.00 ATOM 97 H LEU 6 60.193 9.305 -10.096 1.00 99.99 ATOM 98 HA LEU 6 57.434 10.054 -9.947 1.00 99.99 ATOM 99 HB2 LEU 6 59.605 10.149 -11.960 1.00 99.99 ATOM 100 HB3 LEU 6 57.971 10.047 -12.613 1.00 99.99 ATOM 101 HG LEU 6 57.295 11.995 -11.266 1.00 99.99 ATOM 102 HD11 LEU 6 59.322 13.279 -10.214 1.00 99.99 ATOM 103 HD12 LEU 6 60.101 11.697 -10.211 1.00 99.99 ATOM 104 HD13 LEU 6 58.601 11.943 -9.317 1.00 99.99 ATOM 105 HD21 LEU 6 58.242 13.575 -12.675 1.00 99.99 ATOM 106 HD22 LEU 6 58.636 12.101 -13.559 1.00 99.99 ATOM 107 HD23 LEU 6 59.856 12.876 -12.548 1.00 99.99 ATOM 108 N VAL 7 58.146 7.086 -10.921 1.00 0.00 ATOM 109 CA VAL 7 57.587 5.795 -11.314 1.00 0.00 ATOM 110 C VAL 7 56.704 5.224 -10.205 1.00 0.00 ATOM 111 O VAL 7 56.164 4.125 -10.334 1.00 0.00 ATOM 112 CB VAL 7 58.718 4.807 -11.630 1.00 0.00 ATOM 113 CG1 VAL 7 59.604 5.380 -12.741 1.00 0.00 ATOM 114 CG2 VAL 7 59.564 4.567 -10.373 1.00 0.00 ATOM 115 H VAL 7 59.063 7.127 -10.579 1.00 99.99 ATOM 116 HA VAL 7 56.986 5.930 -12.201 1.00 99.99 ATOM 117 HB VAL 7 58.294 3.870 -11.959 1.00 99.99 ATOM 118 HG11 VAL 7 59.013 5.522 -13.635 1.00 99.99 ATOM 119 HG12 VAL 7 60.410 4.692 -12.950 1.00 99.99 ATOM 120 HG13 VAL 7 60.012 6.329 -12.425 1.00 99.99 ATOM 121 HG21 VAL 7 59.132 3.763 -9.797 1.00 99.99 ATOM 122 HG22 VAL 7 59.587 5.466 -9.774 1.00 99.99 ATOM 123 HG23 VAL 7 60.571 4.302 -10.661 1.00 99.99 ATOM 124 N PHE 8 56.595 5.960 -9.100 1.00 0.00 ATOM 125 CA PHE 8 55.777 5.519 -7.975 1.00 0.00 ATOM 126 C PHE 8 54.293 5.623 -8.315 1.00 0.00 ATOM 127 O PHE 8 53.496 4.779 -7.905 1.00 0.00 ATOM 128 CB PHE 8 56.084 6.377 -6.743 1.00 0.00 ATOM 129 CG PHE 8 55.482 5.734 -5.515 1.00 0.00 ATOM 130 CD1 PHE 8 56.158 4.691 -4.870 1.00 0.00 ATOM 131 CD2 PHE 8 54.195 6.096 -5.097 1.00 0.00 ATOM 132 CE1 PHE 8 55.552 4.016 -3.803 1.00 0.00 ATOM 133 CE2 PHE 8 53.592 5.427 -4.026 1.00 0.00 ATOM 134 CZ PHE 8 54.277 4.399 -3.367 1.00 0.00 ATOM 135 H PHE 8 57.050 6.826 -9.053 1.00 99.99 ATOM 136 HA PHE 8 56.014 4.489 -7.752 1.00 99.99 ATOM 137 HB2 PHE 8 57.154 6.457 -6.619 1.00 99.99 ATOM 138 HB3 PHE 8 55.663 7.363 -6.877 1.00 99.99 ATOM 139 HD1 PHE 8 57.126 4.372 -5.229 1.00 99.99 ATOM 140 HD2 PHE 8 53.656 6.873 -5.619 1.00 99.99 ATOM 141 HE1 PHE 8 56.098 3.254 -3.268 1.00 99.99 ATOM 142 HE2 PHE 8 52.635 5.761 -3.652 1.00 99.99 ATOM 143 HZ PHE 8 53.861 3.961 -2.472 1.00 99.99 ATOM 144 N PHE 9 53.963 6.556 -9.205 1.00 0.00 ATOM 145 CA PHE 9 52.581 6.734 -9.641 1.00 0.00 ATOM 146 C PHE 9 52.229 5.741 -10.747 1.00 0.00 ATOM 147 O PHE 9 51.111 5.752 -11.263 1.00 0.00 ATOM 148 CB PHE 9 52.377 8.164 -10.152 1.00 0.00 ATOM 149 CG PHE 9 52.600 9.144 -9.022 1.00 0.00 ATOM 150 CD1 PHE 9 53.902 9.498 -8.647 1.00 0.00 ATOM 151 CD2 PHE 9 51.504 9.702 -8.350 1.00 0.00 ATOM 152 CE1 PHE 9 54.109 10.294 -7.516 1.00 0.00 ATOM 153 CE2 PHE 9 51.714 10.592 -7.290 1.00 0.00 ATOM 154 CZ PHE 9 53.017 10.873 -6.859 1.00 0.00 ATOM 155 H PHE 9 54.661 7.136 -9.574 1.00 99.99 ATOM 156 HA PHE 9 51.924 6.568 -8.799 1.00 99.99 ATOM 157 HB2 PHE 9 53.081 8.365 -10.947 1.00 99.99 ATOM 158 HB3 PHE 9 51.371 8.271 -10.529 1.00 99.99 ATOM 159 HD1 PHE 9 54.742 9.195 -9.256 1.00 99.99 ATOM 160 HD2 PHE 9 50.501 9.503 -8.697 1.00 99.99 ATOM 161 HE1 PHE 9 55.113 10.477 -7.160 1.00 99.99 ATOM 162 HE2 PHE 9 50.879 11.130 -6.865 1.00 99.99 ATOM 163 HZ PHE 9 53.181 11.607 -6.084 1.00 99.99 ATOM 164 N ALA 10 53.130 4.792 -10.993 1.00 0.00 ATOM 165 CA ALA 10 52.902 3.777 -12.017 1.00 0.00 ATOM 166 C ALA 10 51.865 2.759 -11.549 1.00 0.00 ATOM 167 O ALA 10 51.303 2.018 -12.356 1.00 0.00 ATOM 168 CB ALA 10 54.214 3.057 -12.340 1.00 0.00 ATOM 169 H ALA 10 53.951 4.759 -10.459 1.00 99.99 ATOM 170 HA ALA 10 52.539 4.259 -12.913 1.00 99.99 ATOM 171 HB1 ALA 10 54.968 3.784 -12.603 1.00 99.99 ATOM 172 HB2 ALA 10 54.060 2.382 -13.169 1.00 99.99 ATOM 173 HB3 ALA 10 54.540 2.497 -11.476 1.00 99.99 ATOM 174 N GLU 11 51.587 2.754 -10.246 1.00 0.00 ATOM 175 CA GLU 11 50.646 1.796 -9.673 1.00 0.00 ATOM 176 C GLU 11 49.219 2.102 -10.124 1.00 0.00 ATOM 177 O GLU 11 48.321 1.275 -9.956 1.00 0.00 ATOM 178 CB GLU 11 50.718 1.845 -8.144 1.00 0.00 ATOM 179 CG GLU 11 52.154 1.573 -7.682 1.00 0.00 ATOM 180 CD GLU 11 52.154 1.043 -6.248 1.00 0.00 ATOM 181 OE1 GLU 11 51.720 1.769 -5.368 1.00 0.00 ATOM 182 OE2 GLU 11 52.648 -0.054 -6.044 1.00 0.00 ATOM 183 H GLU 11 52.031 3.401 -9.658 1.00 99.99 ATOM 184 HA GLU 11 50.911 0.803 -10.006 1.00 99.99 ATOM 185 HB2 GLU 11 50.410 2.822 -7.803 1.00 99.99 ATOM 186 HB3 GLU 11 50.058 1.096 -7.731 1.00 99.99 ATOM 187 HG2 GLU 11 52.610 0.842 -8.334 1.00 99.99 ATOM 188 HG3 GLU 11 52.722 2.491 -7.723 1.00 99.99 ATOM 189 N ASP 12 49.065 3.191 -10.875 1.00 0.00 ATOM 190 CA ASP 12 47.747 3.614 -11.339 1.00 0.00 ATOM 191 C ASP 12 47.219 2.664 -12.411 1.00 0.00 ATOM 192 O ASP 12 46.035 2.695 -12.749 1.00 0.00 ATOM 193 CB ASP 12 47.827 5.034 -11.910 1.00 0.00 ATOM 194 CG ASP 12 46.606 5.844 -11.481 1.00 0.00 ATOM 195 OD1 ASP 12 45.514 5.511 -11.912 1.00 0.00 ATOM 196 OD2 ASP 12 46.787 6.818 -10.766 1.00 0.00 ATOM 197 H ASP 12 49.851 3.718 -11.126 1.00 99.99 ATOM 198 HA ASP 12 47.064 3.609 -10.502 1.00 99.99 ATOM 199 HB2 ASP 12 48.723 5.515 -11.545 1.00 99.99 ATOM 200 HB3 ASP 12 47.864 4.985 -12.989 1.00 99.99 ATOM 201 N VAL 13 48.115 1.861 -12.977 1.00 0.00 ATOM 202 CA VAL 13 47.719 0.862 -13.963 1.00 0.00 ATOM 203 C VAL 13 46.769 -0.166 -13.349 1.00 0.00 ATOM 204 O VAL 13 46.107 -0.915 -14.068 1.00 0.00 ATOM 205 CB VAL 13 48.963 0.153 -14.514 1.00 0.00 ATOM 206 CG1 VAL 13 49.888 1.182 -15.173 1.00 0.00 ATOM 207 CG2 VAL 13 49.713 -0.545 -13.372 1.00 0.00 ATOM 208 H VAL 13 49.062 1.951 -12.740 1.00 99.99 ATOM 209 HA VAL 13 47.212 1.360 -14.776 1.00 99.99 ATOM 210 HB VAL 13 48.661 -0.582 -15.248 1.00 99.99 ATOM 211 HG11 VAL 13 49.960 2.057 -14.544 1.00 99.99 ATOM 212 HG12 VAL 13 50.870 0.751 -15.304 1.00 99.99 ATOM 213 HG13 VAL 13 49.489 1.462 -16.137 1.00 99.99 ATOM 214 HG21 VAL 13 49.227 -1.481 -13.140 1.00 99.99 ATOM 215 HG22 VAL 13 50.733 -0.737 -13.675 1.00 99.99 ATOM 216 HG23 VAL 13 49.711 0.089 -12.497 1.00 99.99 ATOM 217 N GLY 14 46.795 -0.276 -12.022 1.00 0.00 ATOM 218 CA GLY 14 45.909 -1.202 -11.323 1.00 0.00 ATOM 219 C GLY 14 44.467 -0.701 -11.343 1.00 0.00 ATOM 220 O GLY 14 44.057 -0.006 -12.276 1.00 0.00 ATOM 221 H GLY 14 47.425 0.270 -11.506 1.00 99.99 ATOM 222 HA2 GLY 14 45.954 -2.167 -11.805 1.00 99.99 ATOM 223 HA3 GLY 14 46.237 -1.303 -10.299 1.00 99.99 ATOM 224 N SER 15 43.673 -1.162 -10.376 1.00 0.00 ATOM 225 CA SER 15 42.261 -0.791 -10.304 1.00 0.00 ATOM 226 C SER 15 41.858 -0.484 -8.861 1.00 0.00 ATOM 227 O SER 15 41.957 0.660 -8.415 1.00 0.00 ATOM 228 CB SER 15 41.392 -1.928 -10.855 1.00 0.00 ATOM 229 OG SER 15 41.570 -2.026 -12.261 1.00 0.00 ATOM 230 H SER 15 44.045 -1.763 -9.698 1.00 99.99 ATOM 231 HA SER 15 42.100 0.092 -10.905 1.00 99.99 ATOM 232 HB2 SER 15 41.680 -2.860 -10.388 1.00 99.99 ATOM 233 HB3 SER 15 40.353 -1.724 -10.640 1.00 99.99 ATOM 234 HG SER 15 42.347 -1.517 -12.499 1.00 99.99 ATOM 235 N ASN 16 41.488 -1.525 -8.114 1.00 0.00 ATOM 236 CA ASN 16 40.935 -1.342 -6.773 1.00 0.00 ATOM 237 C ASN 16 41.243 -2.559 -5.895 1.00 0.00 ATOM 238 O ASN 16 42.389 -2.761 -5.490 1.00 0.00 ATOM 239 CB ASN 16 39.418 -1.107 -6.851 1.00 0.00 ATOM 240 CG ASN 16 38.736 -2.235 -7.624 1.00 0.00 ATOM 241 OD1 ASN 16 39.107 -2.526 -8.761 1.00 0.00 ATOM 242 ND2 ASN 16 37.704 -2.840 -7.099 1.00 0.00 ATOM 243 H ASN 16 41.634 -2.433 -8.453 1.00 99.99 ATOM 244 HA ASN 16 41.396 -0.472 -6.327 1.00 99.99 ATOM 245 HB2 ASN 16 39.013 -1.065 -5.850 1.00 99.99 ATOM 246 HB3 ASN 16 39.228 -0.168 -7.350 1.00 99.99 ATOM 247 HD21 ASN 16 37.406 -2.603 -6.195 1.00 99.99 ATOM 248 HD22 ASN 16 37.251 -3.554 -7.592 1.00 99.99 ATOM 249 N LYS 17 40.207 -3.324 -5.546 1.00 0.00 ATOM 250 CA LYS 17 40.387 -4.527 -4.738 1.00 0.00 ATOM 251 C LYS 17 41.411 -5.461 -5.373 1.00 0.00 ATOM 252 O LYS 17 42.326 -5.932 -4.701 1.00 0.00 ATOM 253 CB LYS 17 39.050 -5.261 -4.590 1.00 0.00 ATOM 254 CG LYS 17 38.283 -4.693 -3.392 1.00 0.00 ATOM 255 CD LYS 17 38.744 -5.392 -2.108 1.00 0.00 ATOM 256 CE LYS 17 37.933 -6.675 -1.904 1.00 0.00 ATOM 257 NZ LYS 17 36.603 -6.332 -1.327 1.00 0.00 ATOM 258 H LYS 17 39.300 -3.027 -5.760 1.00 99.99 ATOM 259 HA LYS 17 40.738 -4.241 -3.757 1.00 99.99 ATOM 260 HB2 LYS 17 38.465 -5.128 -5.488 1.00 99.99 ATOM 261 HB3 LYS 17 39.232 -6.315 -4.435 1.00 99.99 ATOM 262 HG2 LYS 17 38.473 -3.633 -3.312 1.00 99.99 ATOM 263 HG3 LYS 17 37.225 -4.858 -3.532 1.00 99.99 ATOM 264 HD2 LYS 17 39.793 -5.639 -2.187 1.00 99.99 ATOM 265 HD3 LYS 17 38.592 -4.734 -1.266 1.00 99.99 ATOM 266 HE2 LYS 17 37.796 -7.171 -2.853 1.00 99.99 ATOM 267 HE3 LYS 17 38.461 -7.331 -1.228 1.00 99.99 ATOM 268 HZ1 LYS 17 35.995 -7.175 -1.333 1.00 99.99 ATOM 269 HZ2 LYS 17 36.162 -5.582 -1.895 1.00 99.99 ATOM 270 HZ3 LYS 17 36.725 -5.999 -0.349 1.00 99.99 ATOM 271 N GLY 18 41.346 -5.590 -6.696 1.00 0.00 ATOM 272 CA GLY 18 42.238 -6.498 -7.411 1.00 0.00 ATOM 273 C GLY 18 43.680 -5.999 -7.359 1.00 0.00 ATOM 274 O GLY 18 44.618 -6.796 -7.403 1.00 0.00 ATOM 275 H GLY 18 40.721 -5.031 -7.203 1.00 99.99 ATOM 276 HA2 GLY 18 42.183 -7.477 -6.960 1.00 99.99 ATOM 277 HA3 GLY 18 41.922 -6.567 -8.441 1.00 99.99 ATOM 278 N ALA 19 43.839 -4.714 -7.047 1.00 0.00 ATOM 279 CA ALA 19 45.166 -4.117 -6.946 1.00 0.00 ATOM 280 C ALA 19 45.865 -4.557 -5.661 1.00 0.00 ATOM 281 O ALA 19 47.088 -4.467 -5.554 1.00 0.00 ATOM 282 CB ALA 19 45.054 -2.590 -6.972 1.00 0.00 ATOM 283 H ALA 19 43.049 -4.157 -6.886 1.00 99.99 ATOM 284 HA ALA 19 45.757 -4.438 -7.792 1.00 99.99 ATOM 285 HB1 ALA 19 44.836 -2.228 -5.978 1.00 99.99 ATOM 286 HB2 ALA 19 44.261 -2.299 -7.644 1.00 99.99 ATOM 287 HB3 ALA 19 45.988 -2.167 -7.313 1.00 99.99 ATOM 288 N ILE 20 45.098 -5.135 -4.735 1.00 0.00 ATOM 289 CA ILE 20 45.671 -5.658 -3.497 1.00 0.00 ATOM 290 C ILE 20 46.749 -6.694 -3.802 1.00 0.00 ATOM 291 O ILE 20 47.840 -6.647 -3.235 1.00 0.00 ATOM 292 CB ILE 20 44.572 -6.295 -2.634 1.00 0.00 ATOM 293 CG1 ILE 20 45.112 -6.538 -1.218 1.00 0.00 ATOM 294 CG2 ILE 20 44.133 -7.629 -3.253 1.00 0.00 ATOM 295 CD1 ILE 20 44.052 -7.253 -0.374 1.00 0.00 ATOM 296 H ILE 20 44.137 -5.232 -4.899 1.00 99.99 ATOM 297 HA ILE 20 46.117 -4.842 -2.947 1.00 99.99 ATOM 298 HB ILE 20 43.725 -5.627 -2.584 1.00 99.99 ATOM 299 HG12 ILE 20 46.000 -7.150 -1.272 1.00 99.99 ATOM 300 HG13 ILE 20 45.356 -5.591 -0.760 1.00 99.99 ATOM 301 HG21 ILE 20 44.838 -8.401 -2.983 1.00 99.99 ATOM 302 HG22 ILE 20 44.098 -7.533 -4.328 1.00 99.99 ATOM 303 HG23 ILE 20 43.153 -7.891 -2.884 1.00 99.99 ATOM 304 HD11 ILE 20 44.098 -8.315 -0.563 1.00 99.99 ATOM 305 HD12 ILE 20 43.071 -6.883 -0.635 1.00 99.99 ATOM 306 HD13 ILE 20 44.240 -7.065 0.673 1.00 99.99 ATOM 307 N ILE 21 46.504 -7.493 -4.838 1.00 0.00 ATOM 308 CA ILE 21 47.427 -8.561 -5.209 1.00 0.00 ATOM 309 C ILE 21 48.720 -7.974 -5.764 1.00 0.00 ATOM 310 O ILE 21 49.812 -8.373 -5.360 1.00 0.00 ATOM 311 CB ILE 21 46.784 -9.468 -6.265 1.00 0.00 ATOM 312 CG1 ILE 21 45.371 -9.864 -5.818 1.00 0.00 ATOM 313 CG2 ILE 21 47.642 -10.726 -6.447 1.00 0.00 ATOM 314 CD1 ILE 21 44.767 -10.849 -6.824 1.00 0.00 ATOM 315 H ILE 21 45.716 -7.326 -5.396 1.00 99.99 ATOM 316 HA ILE 21 47.655 -9.149 -4.332 1.00 99.99 ATOM 317 HB ILE 21 46.725 -8.937 -7.204 1.00 99.99 ATOM 318 HG12 ILE 21 45.418 -10.329 -4.844 1.00 99.99 ATOM 319 HG13 ILE 21 44.750 -8.983 -5.765 1.00 99.99 ATOM 320 HG21 ILE 21 47.367 -11.218 -7.369 1.00 99.99 ATOM 321 HG22 ILE 21 47.477 -11.399 -5.618 1.00 99.99 ATOM 322 HG23 ILE 21 48.685 -10.450 -6.485 1.00 99.99 ATOM 323 HD11 ILE 21 45.092 -10.592 -7.821 1.00 99.99 ATOM 324 HD12 ILE 21 43.689 -10.800 -6.773 1.00 99.99 ATOM 325 HD13 ILE 21 45.092 -11.851 -6.586 1.00 99.99 ATOM 326 N GLY 22 48.584 -6.897 -6.533 1.00 0.00 ATOM 327 CA GLY 22 49.746 -6.196 -7.066 1.00 0.00 ATOM 328 C GLY 22 50.516 -5.500 -5.948 1.00 0.00 ATOM 329 O GLY 22 51.723 -5.697 -5.799 1.00 0.00 ATOM 330 H GLY 22 47.686 -6.554 -6.727 1.00 99.99 ATOM 331 HA2 GLY 22 50.394 -6.906 -7.559 1.00 99.99 ATOM 332 HA3 GLY 22 49.416 -5.459 -7.783 1.00 99.99 ATOM 333 N LEU 23 49.778 -4.819 -5.073 1.00 0.00 ATOM 334 CA LEU 23 50.387 -4.085 -3.968 1.00 0.00 ATOM 335 C LEU 23 51.029 -5.045 -2.972 1.00 0.00 ATOM 336 O LEU 23 51.949 -4.669 -2.246 1.00 0.00 ATOM 337 CB LEU 23 49.322 -3.247 -3.252 1.00 0.00 ATOM 338 CG LEU 23 48.807 -2.147 -4.188 1.00 0.00 ATOM 339 CD1 LEU 23 47.611 -1.447 -3.538 1.00 0.00 ATOM 340 CD2 LEU 23 49.918 -1.126 -4.445 1.00 0.00 ATOM 341 H LEU 23 48.803 -4.818 -5.168 1.00 99.99 ATOM 342 HA LEU 23 51.148 -3.428 -4.360 1.00 99.99 ATOM 343 HB2 LEU 23 48.500 -3.885 -2.965 1.00 99.99 ATOM 344 HB3 LEU 23 49.750 -2.794 -2.369 1.00 99.99 ATOM 345 HG LEU 23 48.501 -2.585 -5.126 1.00 99.99 ATOM 346 HD11 LEU 23 46.821 -2.164 -3.369 1.00 99.99 ATOM 347 HD12 LEU 23 47.914 -1.018 -2.594 1.00 99.99 ATOM 348 HD13 LEU 23 47.253 -0.664 -4.190 1.00 99.99 ATOM 349 HD21 LEU 23 50.481 -0.971 -3.535 1.00 99.99 ATOM 350 HD22 LEU 23 50.575 -1.496 -5.218 1.00 99.99 ATOM 351 HD23 LEU 23 49.481 -0.191 -4.762 1.00 99.99 ATOM 352 N MET 24 50.476 -6.253 -2.879 1.00 0.00 ATOM 353 CA MET 24 50.999 -7.257 -1.957 1.00 0.00 ATOM 354 C MET 24 52.348 -7.777 -2.443 1.00 0.00 ATOM 355 O MET 24 53.361 -7.614 -1.762 1.00 0.00 ATOM 356 CB MET 24 50.013 -8.423 -1.833 1.00 0.00 ATOM 357 CG MET 24 49.010 -8.132 -0.712 1.00 0.00 ATOM 358 SD MET 24 49.753 -8.549 0.887 1.00 0.00 ATOM 359 CE MET 24 48.927 -7.266 1.860 1.00 0.00 ATOM 360 H MET 24 49.737 -6.490 -3.479 1.00 99.99 ATOM 361 HA MET 24 51.129 -6.804 -0.983 1.00 99.99 ATOM 362 HB2 MET 24 49.483 -8.548 -2.765 1.00 99.99 ATOM 363 HB3 MET 24 50.553 -9.331 -1.604 1.00 99.99 ATOM 364 HG2 MET 24 48.750 -7.084 -0.726 1.00 99.99 ATOM 365 HG3 MET 24 48.120 -8.725 -0.863 1.00 99.99 ATOM 366 HE1 MET 24 49.414 -6.317 1.691 1.00 99.99 ATOM 367 HE2 MET 24 48.983 -7.520 2.908 1.00 99.99 ATOM 368 HE3 MET 24 47.892 -7.197 1.561 1.00 99.99 ATOM 369 N VAL 25 52.388 -8.191 -3.707 1.00 0.00 ATOM 370 CA VAL 25 53.606 -8.753 -4.281 1.00 0.00 ATOM 371 C VAL 25 54.666 -7.668 -4.456 1.00 0.00 ATOM 372 O VAL 25 55.821 -7.853 -4.070 1.00 0.00 ATOM 373 CB VAL 25 53.301 -9.400 -5.638 1.00 0.00 ATOM 374 CG1 VAL 25 54.579 -10.032 -6.199 1.00 0.00 ATOM 375 CG2 VAL 25 52.227 -10.483 -5.468 1.00 0.00 ATOM 376 H VAL 25 51.594 -8.085 -4.273 1.00 99.99 ATOM 377 HA VAL 25 53.990 -9.510 -3.612 1.00 99.99 ATOM 378 HB VAL 25 52.944 -8.645 -6.324 1.00 99.99 ATOM 379 HG11 VAL 25 55.282 -9.255 -6.457 1.00 99.99 ATOM 380 HG12 VAL 25 54.340 -10.609 -7.080 1.00 99.99 ATOM 381 HG13 VAL 25 55.017 -10.680 -5.453 1.00 99.99 ATOM 382 HG21 VAL 25 51.345 -10.205 -6.026 1.00 99.99 ATOM 383 HG22 VAL 25 51.975 -10.582 -4.422 1.00 99.99 ATOM 384 HG23 VAL 25 52.603 -11.425 -5.838 1.00 99.99 ATOM 385 N GLY 26 54.228 -6.487 -4.887 1.00 0.00 ATOM 386 CA GLY 26 55.137 -5.356 -5.050 1.00 0.00 ATOM 387 C GLY 26 55.451 -4.704 -3.705 1.00 0.00 ATOM 388 O GLY 26 56.330 -3.847 -3.613 1.00 0.00 ATOM 389 H GLY 26 53.276 -6.371 -5.089 1.00 99.99 ATOM 390 HA2 GLY 26 56.056 -5.701 -5.500 1.00 99.99 ATOM 391 HA3 GLY 26 54.678 -4.624 -5.699 1.00 99.99 ATOM 392 N GLY 27 54.764 -5.156 -2.656 1.00 0.00 ATOM 393 CA GLY 27 54.860 -4.509 -1.351 1.00 0.00 ATOM 394 C GLY 27 56.078 -5.007 -0.580 1.00 0.00 ATOM 395 O GLY 27 56.326 -4.579 0.548 1.00 0.00 ATOM 396 H GLY 27 54.196 -5.948 -2.759 1.00 99.99 ATOM 397 HA2 GLY 27 54.940 -3.441 -1.488 1.00 99.99 ATOM 398 HA3 GLY 27 53.968 -4.726 -0.782 1.00 99.99 ATOM 399 N VAL 28 56.889 -5.834 -1.237 1.00 0.00 ATOM 400 CA VAL 28 58.023 -6.472 -0.575 1.00 0.00 ATOM 401 C VAL 28 59.106 -5.447 -0.254 1.00 0.00 ATOM 402 O VAL 28 59.683 -5.464 0.834 1.00 0.00 ATOM 403 CB VAL 28 58.605 -7.573 -1.472 1.00 0.00 ATOM 404 CG1 VAL 28 57.574 -8.695 -1.640 1.00 0.00 ATOM 405 CG2 VAL 28 58.962 -6.991 -2.846 1.00 0.00 ATOM 406 H VAL 28 56.715 -6.025 -2.182 1.00 99.99 ATOM 407 HA VAL 28 57.681 -6.919 0.348 1.00 99.99 ATOM 408 HB VAL 28 59.496 -7.973 -1.012 1.00 99.99 ATOM 409 HG11 VAL 28 56.578 -8.281 -1.590 1.00 99.99 ATOM 410 HG12 VAL 28 57.702 -9.422 -0.852 1.00 99.99 ATOM 411 HG13 VAL 28 57.717 -9.175 -2.598 1.00 99.99 ATOM 412 HG21 VAL 28 59.052 -7.793 -3.564 1.00 99.99 ATOM 413 HG22 VAL 28 59.900 -6.462 -2.779 1.00 99.99 ATOM 414 HG23 VAL 28 58.187 -6.310 -3.165 1.00 99.99 ATOM 415 N VAL 29 59.265 -4.468 -1.141 1.00 0.00 ATOM 416 CA VAL 29 60.285 -3.441 -0.959 1.00 0.00 ATOM 417 C VAL 29 59.825 -2.412 0.069 1.00 0.00 ATOM 418 O VAL 29 60.564 -2.088 0.999 1.00 0.00 ATOM 419 CB VAL 29 60.573 -2.743 -2.294 1.00 0.00 ATOM 420 CG1 VAL 29 61.859 -1.919 -2.174 1.00 0.00 ATOM 421 CG2 VAL 29 60.741 -3.794 -3.398 1.00 0.00 ATOM 422 H VAL 29 58.663 -4.417 -1.913 1.00 99.99 ATOM 423 HA VAL 29 61.192 -3.908 -0.605 1.00 99.99 ATOM 424 HB VAL 29 59.750 -2.090 -2.544 1.00 99.99 ATOM 425 HG11 VAL 29 61.774 -1.237 -1.341 1.00 99.99 ATOM 426 HG12 VAL 29 62.014 -1.357 -3.084 1.00 99.99 ATOM 427 HG13 VAL 29 62.698 -2.580 -2.013 1.00 99.99 ATOM 428 HG21 VAL 29 59.775 -4.204 -3.654 1.00 99.99 ATOM 429 HG22 VAL 29 61.387 -4.585 -3.047 1.00 99.99 ATOM 430 HG23 VAL 29 61.178 -3.333 -4.271 1.00 99.99 ATOM 431 N ILE 30 58.534 -2.093 0.032 1.00 0.00 ATOM 432 CA ILE 30 57.953 -1.174 1.005 1.00 0.00 ATOM 433 C ILE 30 57.932 -1.809 2.394 1.00 0.00 ATOM 434 O ILE 30 58.243 -1.149 3.385 1.00 0.00 ATOM 435 CB ILE 30 56.526 -0.799 0.585 1.00 0.00 ATOM 436 CG1 ILE 30 56.567 -0.063 -0.761 1.00 0.00 ATOM 437 CG2 ILE 30 55.900 0.110 1.649 1.00 0.00 ATOM 438 CD1 ILE 30 55.179 -0.088 -1.408 1.00 0.00 ATOM 439 H ILE 30 57.953 -2.519 -0.632 1.00 99.99 ATOM 440 HA ILE 30 58.554 -0.277 1.040 1.00 99.99 ATOM 441 HB ILE 30 55.934 -1.697 0.485 1.00 99.99 ATOM 442 HG12 ILE 30 56.870 0.962 -0.601 1.00 99.99 ATOM 443 HG13 ILE 30 57.276 -0.548 -1.416 1.00 99.99 ATOM 444 HG21 ILE 30 55.562 -0.489 2.481 1.00 99.99 ATOM 445 HG22 ILE 30 55.060 0.639 1.223 1.00 99.99 ATOM 446 HG23 ILE 30 56.635 0.822 1.993 1.00 99.99 ATOM 447 HD11 ILE 30 55.019 -1.047 -1.878 1.00 99.99 ATOM 448 HD12 ILE 30 55.115 0.692 -2.152 1.00 99.99 ATOM 449 HD13 ILE 30 54.425 0.073 -0.652 1.00 99.99 ATOM 450 N ALA 31 57.764 -3.129 2.432 1.00 0.00 ATOM 451 CA ALA 31 57.771 -3.855 3.697 1.00 0.00 ATOM 452 C ALA 31 59.099 -3.657 4.421 1.00 0.00 ATOM 453 O ALA 31 59.141 -3.011 5.467 1.00 0.00 ATOM 454 CB ALA 31 57.538 -5.348 3.448 1.00 0.00 ATOM 455 H ALA 31 57.672 -3.626 1.592 1.00 99.99 ATOM 456 HA ALA 31 56.974 -3.477 4.321 1.00 99.99 ATOM 457 HB1 ALA 31 56.626 -5.482 2.886 1.00 99.99 ATOM 458 HB2 ALA 31 57.455 -5.862 4.395 1.00 99.99 ATOM 459 HB3 ALA 31 58.368 -5.754 2.890 1.00 99.99 ATOM 460 N THR 32 60.189 -3.937 3.708 1.00 0.00 ATOM 461 CA THR 32 61.520 -3.893 4.308 1.00 0.00 ATOM 462 C THR 32 61.867 -2.472 4.746 1.00 0.00 ATOM 463 O THR 32 62.441 -2.273 5.816 1.00 0.00 ATOM 464 CB THR 32 62.563 -4.388 3.300 1.00 0.00 ATOM 465 OG1 THR 32 62.423 -3.673 2.080 1.00 0.00 ATOM 466 CG2 THR 32 62.356 -5.883 3.040 1.00 0.00 ATOM 467 H THR 32 60.098 -4.148 2.755 1.00 99.99 ATOM 468 HA THR 32 61.536 -4.539 5.173 1.00 99.99 ATOM 469 HB THR 32 63.554 -4.226 3.698 1.00 99.99 ATOM 470 HG1 THR 32 62.012 -2.828 2.276 1.00 99.99 ATOM 471 HG21 THR 32 62.906 -6.455 3.773 1.00 99.99 ATOM 472 HG22 THR 32 62.713 -6.129 2.051 1.00 99.99 ATOM 473 HG23 THR 32 61.305 -6.121 3.112 1.00 99.99 ATOM 474 N VAL 33 61.329 -1.493 4.024 1.00 0.00 ATOM 475 CA VAL 33 61.571 -0.090 4.344 1.00 0.00 ATOM 476 C VAL 33 60.900 0.279 5.665 1.00 0.00 ATOM 477 O VAL 33 61.577 0.647 6.626 1.00 0.00 ATOM 478 CB VAL 33 61.027 0.799 3.219 1.00 0.00 ATOM 479 CG1 VAL 33 61.201 2.276 3.592 1.00 0.00 ATOM 480 CG2 VAL 33 61.787 0.505 1.921 1.00 0.00 ATOM 481 H VAL 33 60.719 -1.718 3.290 1.00 99.99 ATOM 482 HA VAL 33 62.636 0.071 4.435 1.00 99.99 ATOM 483 HB VAL 33 59.977 0.589 3.074 1.00 99.99 ATOM 484 HG11 VAL 33 62.057 2.387 4.242 1.00 99.99 ATOM 485 HG12 VAL 33 60.315 2.626 4.101 1.00 99.99 ATOM 486 HG13 VAL 33 61.353 2.859 2.695 1.00 99.99 ATOM 487 HG21 VAL 33 62.173 -0.504 1.949 1.00 99.99 ATOM 488 HG22 VAL 33 62.607 1.200 1.818 1.00 99.99 ATOM 489 HG23 VAL 33 61.118 0.611 1.080 1.00 99.99 ATOM 490 N ILE 34 59.622 -0.073 5.777 1.00 0.00 ATOM 491 CA ILE 34 58.852 0.230 6.979 1.00 0.00 ATOM 492 C ILE 34 59.323 -0.640 8.145 1.00 0.00 ATOM 493 O ILE 34 59.447 -0.162 9.273 1.00 0.00 ATOM 494 CB ILE 34 57.356 -0.008 6.704 1.00 0.00 ATOM 495 CG1 ILE 34 56.714 1.283 6.177 1.00 0.00 ATOM 496 CG2 ILE 34 56.642 -0.432 7.993 1.00 0.00 ATOM 497 CD1 ILE 34 57.408 1.727 4.886 1.00 0.00 ATOM 498 H ILE 34 59.204 -0.591 5.058 1.00 99.99 ATOM 499 HA ILE 34 59.000 1.268 7.237 1.00 99.99 ATOM 500 HB ILE 34 57.248 -0.788 5.964 1.00 99.99 ATOM 501 HG12 ILE 34 55.667 1.106 5.977 1.00 99.99 ATOM 502 HG13 ILE 34 56.809 2.061 6.921 1.00 99.99 ATOM 503 HG21 ILE 34 55.574 -0.414 7.835 1.00 99.99 ATOM 504 HG22 ILE 34 56.899 0.251 8.790 1.00 99.99 ATOM 505 HG23 ILE 34 56.948 -1.432 8.263 1.00 99.99 ATOM 506 HD11 ILE 34 56.755 2.390 4.337 1.00 99.99 ATOM 507 HD12 ILE 34 57.633 0.863 4.281 1.00 99.99 ATOM 508 HD13 ILE 34 58.324 2.245 5.129 1.00 99.99 ATOM 509 N VAL 35 59.730 -1.869 7.832 1.00 0.00 ATOM 510 CA VAL 35 60.150 -2.815 8.862 1.00 0.00 ATOM 511 C VAL 35 61.504 -2.410 9.437 1.00 0.00 ATOM 512 O VAL 35 61.726 -2.498 10.645 1.00 0.00 ATOM 513 CB VAL 35 60.243 -4.227 8.267 1.00 0.00 ATOM 514 CG1 VAL 35 60.857 -5.183 9.296 1.00 0.00 ATOM 515 CG2 VAL 35 58.841 -4.718 7.888 1.00 0.00 ATOM 516 H VAL 35 59.778 -2.133 6.890 1.00 99.99 ATOM 517 HA VAL 35 59.418 -2.817 9.656 1.00 99.99 ATOM 518 HB VAL 35 60.865 -4.203 7.384 1.00 99.99 ATOM 519 HG11 VAL 35 61.913 -4.979 9.393 1.00 99.99 ATOM 520 HG12 VAL 35 60.717 -6.203 8.969 1.00 99.99 ATOM 521 HG13 VAL 35 60.374 -5.043 10.252 1.00 99.99 ATOM 522 HG21 VAL 35 58.904 -5.338 7.005 1.00 99.99 ATOM 523 HG22 VAL 35 58.202 -3.871 7.688 1.00 99.99 ATOM 524 HG23 VAL 35 58.428 -5.295 8.703 1.00 99.99 ATOM 525 N ILE 36 62.435 -2.067 8.550 1.00 0.00 ATOM 526 CA ILE 36 63.730 -1.544 8.972 1.00 0.00 ATOM 527 C ILE 36 63.546 -0.338 9.890 1.00 0.00 ATOM 528 O ILE 36 64.154 -0.266 10.958 1.00 0.00 ATOM 529 CB ILE 36 64.555 -1.143 7.738 1.00 0.00 ATOM 530 CG1 ILE 36 65.151 -2.400 7.085 1.00 0.00 ATOM 531 CG2 ILE 36 65.683 -0.186 8.148 1.00 0.00 ATOM 532 CD1 ILE 36 66.356 -2.899 7.892 1.00 0.00 ATOM 533 H ILE 36 62.236 -2.140 7.593 1.00 99.99 ATOM 534 HA ILE 36 64.259 -2.316 9.512 1.00 99.99 ATOM 535 HB ILE 36 63.911 -0.646 7.028 1.00 99.99 ATOM 536 HG12 ILE 36 64.400 -3.176 7.049 1.00 99.99 ATOM 537 HG13 ILE 36 65.467 -2.164 6.079 1.00 99.99 ATOM 538 HG21 ILE 36 65.276 0.801 8.314 1.00 99.99 ATOM 539 HG22 ILE 36 66.422 -0.141 7.361 1.00 99.99 ATOM 540 HG23 ILE 36 66.147 -0.541 9.057 1.00 99.99 ATOM 541 HD11 ILE 36 66.519 -3.946 7.684 1.00 99.99 ATOM 542 HD12 ILE 36 66.166 -2.767 8.946 1.00 99.99 ATOM 543 HD13 ILE 36 67.234 -2.336 7.611 1.00 99.99 ATOM 544 N THR 37 62.595 0.525 9.540 1.00 0.00 ATOM 545 CA THR 37 62.302 1.698 10.358 1.00 0.00 ATOM 546 C THR 37 61.736 1.279 11.711 1.00 0.00 ATOM 547 O THR 37 62.131 1.812 12.748 1.00 0.00 ATOM 548 CB THR 37 61.293 2.600 9.640 1.00 0.00 ATOM 549 OG1 THR 37 61.708 2.801 8.298 1.00 0.00 ATOM 550 CG2 THR 37 61.209 3.952 10.357 1.00 0.00 ATOM 551 H THR 37 62.060 0.352 8.738 1.00 99.99 ATOM 552 HA THR 37 63.216 2.252 10.516 1.00 99.99 ATOM 553 HB THR 37 60.321 2.129 9.648 1.00 99.99 ATOM 554 HG1 THR 37 61.280 3.596 7.970 1.00 99.99 ATOM 555 HG21 THR 37 61.834 3.935 11.238 1.00 99.99 ATOM 556 HG22 THR 37 60.186 4.143 10.647 1.00 99.99 ATOM 557 HG23 THR 37 61.546 4.734 9.693 1.00 99.99 ATOM 558 N LEU 38 60.937 0.216 11.702 1.00 0.00 ATOM 559 CA LEU 38 60.267 -0.240 12.914 1.00 0.00 ATOM 560 C LEU 38 61.286 -0.719 13.944 1.00 0.00 ATOM 561 O LEU 38 61.008 -0.735 15.143 1.00 0.00 ATOM 562 CB LEU 38 59.304 -1.384 12.576 1.00 0.00 ATOM 563 CG LEU 38 57.868 -0.971 12.918 1.00 0.00 ATOM 564 CD1 LEU 38 56.896 -2.041 12.410 1.00 0.00 ATOM 565 CD2 LEU 38 57.719 -0.820 14.438 1.00 0.00 ATOM 566 H LEU 38 60.801 -0.276 10.865 1.00 99.99 ATOM 567 HA LEU 38 59.705 0.582 13.334 1.00 99.99 ATOM 568 HB2 LEU 38 59.371 -1.607 11.521 1.00 99.99 ATOM 569 HB3 LEU 38 59.572 -2.262 13.145 1.00 99.99 ATOM 570 HG LEU 38 57.642 -0.028 12.441 1.00 99.99 ATOM 571 HD11 LEU 38 57.326 -3.021 12.561 1.00 99.99 ATOM 572 HD12 LEU 38 56.711 -1.888 11.356 1.00 99.99 ATOM 573 HD13 LEU 38 55.965 -1.970 12.952 1.00 99.99 ATOM 574 HD21 LEU 38 57.396 0.185 14.668 1.00 99.99 ATOM 575 HD22 LEU 38 58.669 -1.009 14.915 1.00 99.99 ATOM 576 HD23 LEU 38 56.988 -1.525 14.802 1.00 99.99 ATOM 577 N VAL 39 62.423 -1.212 13.457 1.00 0.00 ATOM 578 CA VAL 39 63.498 -1.654 14.340 1.00 0.00 ATOM 579 C VAL 39 63.960 -0.505 15.233 1.00 0.00 ATOM 580 O VAL 39 63.892 -0.603 16.459 1.00 0.00 ATOM 581 CB VAL 39 64.680 -2.172 13.509 1.00 0.00 ATOM 582 CG1 VAL 39 65.822 -2.588 14.442 1.00 0.00 ATOM 583 CG2 VAL 39 64.236 -3.380 12.675 1.00 0.00 ATOM 584 H VAL 39 62.557 -1.240 12.486 1.00 99.99 ATOM 585 HA VAL 39 63.130 -2.457 14.963 1.00 99.99 ATOM 586 HB VAL 39 65.024 -1.389 12.849 1.00 99.99 ATOM 587 HG11 VAL 39 65.426 -3.175 15.258 1.00 99.99 ATOM 588 HG12 VAL 39 66.306 -1.706 14.835 1.00 99.99 ATOM 589 HG13 VAL 39 66.541 -3.176 13.891 1.00 99.99 ATOM 590 HG21 VAL 39 63.165 -3.354 12.541 1.00 99.99 ATOM 591 HG22 VAL 39 64.512 -4.291 13.186 1.00 99.99 ATOM 592 HG23 VAL 39 64.721 -3.349 11.710 1.00 99.99 ATOM 593 N MET 40 64.186 0.652 14.613 1.00 0.00 ATOM 594 CA MET 40 64.698 1.813 15.336 1.00 0.00 ATOM 595 C MET 40 63.584 2.473 16.144 1.00 0.00 ATOM 596 O MET 40 63.829 3.026 17.217 1.00 0.00 ATOM 597 CB MET 40 65.284 2.829 14.348 1.00 0.00 ATOM 598 CG MET 40 66.590 2.286 13.757 1.00 0.00 ATOM 599 SD MET 40 67.402 3.593 12.799 1.00 0.00 ATOM 600 CE MET 40 68.864 2.651 12.295 1.00 0.00 ATOM 601 H MET 40 63.989 0.731 13.656 1.00 99.99 ATOM 602 HA MET 40 65.477 1.490 16.012 1.00 99.99 ATOM 603 HB2 MET 40 64.576 3.007 13.552 1.00 99.99 ATOM 604 HB3 MET 40 65.484 3.757 14.864 1.00 99.99 ATOM 605 HG2 MET 40 67.243 1.967 14.556 1.00 99.99 ATOM 606 HG3 MET 40 66.374 1.447 13.111 1.00 99.99 ATOM 607 HE1 MET 40 69.058 1.870 13.016 1.00 99.99 ATOM 608 HE2 MET 40 69.717 3.313 12.243 1.00 99.99 ATOM 609 HE3 MET 40 68.692 2.209 11.325 1.00 99.99 ATOM 610 N LEU 41 62.353 2.352 15.651 1.00 0.00 ATOM 611 CA LEU 41 61.194 2.888 16.360 1.00 0.00 ATOM 612 C LEU 41 60.771 1.954 17.489 1.00 0.00 ATOM 613 O LEU 41 60.237 2.413 18.500 1.00 0.00 ATOM 614 CB LEU 41 60.026 3.074 15.387 1.00 0.00 ATOM 615 CG LEU 41 60.405 4.102 14.313 1.00 0.00 ATOM 616 CD1 LEU 41 59.294 4.166 13.261 1.00 0.00 ATOM 617 CD2 LEU 41 60.583 5.480 14.955 1.00 0.00 ATOM 618 H LEU 41 62.223 1.910 14.787 1.00 99.99 ATOM 619 HA LEU 41 61.456 3.847 16.781 1.00 99.99 ATOM 620 HB2 LEU 41 59.800 2.130 14.914 1.00 99.99 ATOM 621 HB3 LEU 41 59.157 3.422 15.928 1.00 99.99 ATOM 622 HG LEU 41 61.329 3.805 13.842 1.00 99.99 ATOM 623 HD11 LEU 41 59.261 3.235 12.715 1.00 99.99 ATOM 624 HD12 LEU 41 58.344 4.331 13.750 1.00 99.99 ATOM 625 HD13 LEU 41 59.492 4.979 12.577 1.00 99.99 ATOM 626 HD21 LEU 41 59.840 5.616 15.728 1.00 99.99 ATOM 627 HD22 LEU 41 61.571 5.550 15.389 1.00 99.99 ATOM 628 HD23 LEU 41 60.466 6.247 14.204 1.00 99.99 ATOM 629 N LYS 42 61.266 0.716 17.427 1.00 0.00 ATOM 630 CA LYS 42 60.910 -0.318 18.402 1.00 0.00 ATOM 631 C LYS 42 59.533 -0.060 19.020 1.00 0.00 ATOM 632 O LYS 42 59.427 0.419 20.151 1.00 0.00 ATOM 633 CB LYS 42 61.976 -0.397 19.505 1.00 0.00 ATOM 634 CG LYS 42 62.387 1.011 19.950 1.00 0.00 ATOM 635 CD LYS 42 63.406 0.906 21.088 1.00 0.00 ATOM 636 CE LYS 42 63.639 2.291 21.700 1.00 0.00 ATOM 637 NZ LYS 42 62.489 2.649 22.579 1.00 0.00 ATOM 638 H LYS 42 61.890 0.489 16.704 1.00 99.99 ATOM 639 HA LYS 42 60.880 -1.269 17.891 1.00 99.99 ATOM 640 HB2 LYS 42 61.577 -0.937 20.351 1.00 99.99 ATOM 641 HB3 LYS 42 62.842 -0.917 19.126 1.00 99.99 ATOM 642 HG2 LYS 42 62.832 1.537 19.117 1.00 99.99 ATOM 643 HG3 LYS 42 61.518 1.551 20.293 1.00 99.99 ATOM 644 HD2 LYS 42 63.030 0.236 21.847 1.00 99.99 ATOM 645 HD3 LYS 42 64.339 0.523 20.702 1.00 99.99 ATOM 646 HE2 LYS 42 64.547 2.277 22.284 1.00 99.99 ATOM 647 HE3 LYS 42 63.730 3.023 20.911 1.00 99.99 ATOM 648 HZ1 LYS 42 62.231 1.829 23.164 1.00 99.99 ATOM 649 HZ2 LYS 42 61.676 2.924 21.991 1.00 99.99 ATOM 650 HZ3 LYS 42 62.757 3.443 23.194 1.00 99.99 ATOM 651 N LYS 43 58.495 -0.537 18.337 1.00 0.00 ATOM 652 CA LYS 43 57.124 -0.324 18.789 1.00 0.00 ATOM 653 C LYS 43 56.906 -0.945 20.167 1.00 0.00 ATOM 654 O LYS 43 57.368 -2.055 20.435 1.00 0.00 ATOM 655 CB LYS 43 56.149 -0.943 17.783 1.00 0.00 ATOM 656 CG LYS 43 54.715 -0.841 18.316 1.00 0.00 ATOM 657 CD LYS 43 53.745 -0.645 17.147 1.00 0.00 ATOM 658 CE LYS 43 53.784 -1.874 16.234 1.00 0.00 ATOM 659 NZ LYS 43 52.500 -1.979 15.486 1.00 0.00 ATOM 660 H LYS 43 58.655 -1.019 17.499 1.00 99.99 ATOM 661 HA LYS 43 56.936 0.738 18.849 1.00 99.99 ATOM 662 HB2 LYS 43 56.221 -0.415 16.844 1.00 99.99 ATOM 663 HB3 LYS 43 56.401 -1.982 17.630 1.00 99.99 ATOM 664 HG2 LYS 43 54.462 -1.749 18.844 1.00 99.99 ATOM 665 HG3 LYS 43 54.638 -0.001 18.991 1.00 99.99 ATOM 666 HD2 LYS 43 52.743 -0.513 17.530 1.00 99.99 ATOM 667 HD3 LYS 43 54.032 0.231 16.584 1.00 99.99 ATOM 668 HE2 LYS 43 54.602 -1.777 15.535 1.00 99.99 ATOM 669 HE3 LYS 43 53.925 -2.763 16.832 1.00 99.99 ATOM 670 HZ1 LYS 43 51.967 -2.804 15.828 1.00 99.99 ATOM 671 HZ2 LYS 43 52.699 -2.091 14.471 1.00 99.99 ATOM 672 HZ3 LYS 43 51.940 -1.116 15.636 1.00 99.99 ATOM 673 N LYS 44 56.338 -0.153 21.076 1.00 0.00 ATOM 674 CA LYS 44 56.118 -0.596 22.452 1.00 0.00 ATOM 675 C LYS 44 57.408 -1.149 23.057 1.00 0.00 ATOM 676 O LYS 44 57.504 -2.340 23.358 1.00 0.00 ATOM 677 CB LYS 44 55.022 -1.667 22.493 1.00 0.00 ATOM 678 CG LYS 44 53.649 -0.997 22.402 1.00 0.00 ATOM 679 CD LYS 44 52.558 -2.069 22.353 1.00 0.00 ATOM 680 CE LYS 44 51.182 -1.404 22.460 1.00 0.00 ATOM 681 NZ LYS 44 50.205 -2.141 21.611 1.00 0.00 ATOM 682 H LYS 44 56.071 0.754 20.819 1.00 99.99 ATOM 683 HA LYS 44 55.797 0.252 23.040 1.00 99.99 ATOM 684 HB2 LYS 44 55.149 -2.344 21.661 1.00 99.99 ATOM 685 HB3 LYS 44 55.092 -2.218 23.419 1.00 99.99 ATOM 686 HG2 LYS 44 53.498 -0.369 23.268 1.00 99.99 ATOM 687 HG3 LYS 44 53.601 -0.394 21.508 1.00 99.99 ATOM 688 HD2 LYS 44 52.626 -2.609 21.420 1.00 99.99 ATOM 689 HD3 LYS 44 52.690 -2.756 23.176 1.00 99.99 ATOM 690 HE2 LYS 44 50.852 -1.424 23.488 1.00 99.99 ATOM 691 HE3 LYS 44 51.250 -0.380 22.124 1.00 99.99 ATOM 692 HZ1 LYS 44 49.891 -3.000 22.108 1.00 99.99 ATOM 693 HZ2 LYS 44 50.657 -2.407 20.712 1.00 99.99 ATOM 694 HZ3 LYS 44 49.384 -1.532 21.418 1.00 99.99 ATOM 695 N GLN 45 58.373 -0.260 23.285 1.00 0.00 ATOM 696 CA GLN 45 59.623 -0.643 23.938 1.00 0.00 ATOM 697 C GLN 45 60.277 -1.810 23.197 1.00 0.00 ATOM 698 O GLN 45 60.152 -1.924 21.978 1.00 0.00 ATOM 699 CB GLN 45 59.360 -1.034 25.399 1.00 0.00 ATOM 700 CG GLN 45 58.474 0.021 26.072 1.00 0.00 ATOM 701 CD GLN 45 57.013 -0.421 26.041 1.00 0.00 ATOM 702 OE1 GLN 45 56.143 0.337 25.610 1.00 0.00 ATOM 703 NE2 GLN 45 56.688 -1.606 26.480 1.00 0.00 ATOM 704 H GLN 45 58.256 0.664 22.981 1.00 99.99 ATOM 705 HA GLN 45 60.297 0.201 23.920 1.00 99.99 ATOM 706 HB2 GLN 45 58.865 -1.994 25.431 1.00 99.99 ATOM 707 HB3 GLN 45 60.300 -1.100 25.927 1.00 99.99 ATOM 708 HG2 GLN 45 58.786 0.147 27.099 1.00 99.99 ATOM 709 HG3 GLN 45 58.575 0.961 25.551 1.00 99.99 ATOM 710 HE21 GLN 45 57.378 -2.195 26.851 1.00 99.99 ATOM 711 HE22 GLN 45 55.777 -1.942 26.352 1.00 99.99 ATOM 712 N TYR 46 60.865 -2.734 23.955 1.00 0.00 ATOM 713 CA TYR 46 61.374 -3.975 23.378 1.00 0.00 ATOM 714 C TYR 46 60.291 -5.049 23.376 1.00 0.00 ATOM 715 O TYR 46 60.244 -5.896 22.484 1.00 0.00 ATOM 716 CB TYR 46 62.583 -4.469 24.180 1.00 0.00 ATOM 717 CG TYR 46 63.563 -3.333 24.371 1.00 0.00 ATOM 718 CD1 TYR 46 64.263 -2.828 23.268 1.00 0.00 ATOM 719 CD2 TYR 46 63.589 -2.639 25.588 1.00 0.00 ATOM 720 CE1 TYR 46 65.012 -1.652 23.391 1.00 0.00 ATOM 721 CE2 TYR 46 64.370 -1.485 25.722 1.00 0.00 ATOM 722 CZ TYR 46 65.078 -0.987 24.622 1.00 0.00 ATOM 723 OH TYR 46 65.974 0.048 24.796 1.00 0.00 ATOM 724 H TYR 46 60.975 -2.571 24.914 1.00 99.99 ATOM 725 HA TYR 46 61.684 -3.787 22.360 1.00 99.99 ATOM 726 HB2 TYR 46 62.253 -4.827 25.144 1.00 99.99 ATOM 727 HB3 TYR 46 63.065 -5.273 23.644 1.00 99.99 ATOM 728 HD1 TYR 46 64.140 -3.287 22.299 1.00 99.99 ATOM 729 HD2 TYR 46 62.969 -2.969 26.411 1.00 99.99 ATOM 730 HE1 TYR 46 65.573 -1.279 22.548 1.00 99.99 ATOM 731 HE2 TYR 46 64.502 -1.036 26.696 1.00 99.99 ATOM 732 HH TYR 46 66.023 0.539 23.974 1.00 99.99 ATOM 1 C UNL 1 53.106 -0.647 -10.754 1.00 0.00 C ATOM 2 C UNL 1 53.425 -1.975 -10.052 1.00 0.00 C ATOM 3 C UNL 1 53.270 -3.169 -10.996 1.00 0.00 C ATOM 4 C UNL 1 51.830 -3.634 -11.207 1.00 0.00 C ATOM 5 C UNL 1 50.751 -2.928 -10.360 1.00 0.00 C ATOM 6 C UNL 1 49.410 -3.660 -10.385 1.00 0.00 C ATOM 7 C UNL 1 49.036 -4.502 -11.449 1.00 0.00 C ATOM 8 C UNL 1 47.880 -5.282 -11.383 1.00 0.00 C ATOM 9 C UNL 1 47.069 -5.200 -10.262 1.00 0.00 C ATOM 10 C UNL 1 47.358 -4.301 -9.245 1.00 0.00 C ATOM 11 C UNL 1 48.522 -3.518 -9.301 1.00 0.00 C ATOM 12 C UNL 1 48.767 -2.522 -8.199 1.00 0.00 C ATOM 13 C UNL 1 50.206 -2.022 -8.064 1.00 0.00 C ATOM 14 C UNL 1 51.231 -2.809 -8.895 1.00 0.00 C ATOM 15 C UNL 1 54.858 -1.979 -9.517 1.00 0.00 C ATOM 16 O UNL 1 55.840 -1.649 -10.168 1.00 0.00 O ATOM 17 C UNL 1 54.940 -2.459 -8.092 1.00 0.00 C ATOM 18 C UNL 1 53.545 -3.017 -7.857 1.00 0.00 C ATOM 19 C UNL 1 52.625 -2.160 -8.744 1.00 0.00 C ATOM 20 O UNL 1 45.973 -5.997 -10.120 1.00 0.00 O ATOM 21 H UNL 1 46.242 -6.915 -10.289 1.00 0.00 H If you find results from this site helpful for your research, please cite one of our papers:
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