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*** fix_dps_dpe ***elNémo ID: 22081223400717290Job options:ID = 22081223400717290 JOBID = fix_dps_dpe USERID = unknown PRIVAT = 0 NMODES = 25 DQMIN = -100 DQMAX = 100 DQSTEP = 20 DOGRAPHS = on DOPROJMODS = 0 DORMSD = 0 NRBL = 0 CUTOFF = 0 CAONLY = 0 Input data for this run:HEADER fix_dps_dpe REMARK GENERATED BY CHARMM-GUI (HTTP://WWW.CHARMM-GUI.ORG) V3.7 ON AUG, 11. 2022. JOB REMARK READ PDB, MANIPULATE STRUCTURE IF NEEDED, AND GENERATE TOPOLOGY FILE REMARK DATE: 8/11/22 21:39:20 CREATED BY USER: apache ATOM 1 N TYR P 1 39.147 -0.421 -8.474 1.00 0.00 PROA ATOM 2 HT1 TYR P 1 39.239 0.612 -8.396 1.00 0.00 PROA ATOM 3 HT2 TYR P 1 39.740 -0.764 -9.256 1.00 0.00 PROA ATOM 4 HT3 TYR P 1 39.455 -0.864 -7.585 1.00 0.00 PROA ATOM 5 CA TYR P 1 37.723 -0.775 -8.738 1.00 0.00 PROA ATOM 6 HA TYR P 1 37.481 -0.456 -9.741 1.00 0.00 PROA ATOM 7 CB TYR P 1 37.522 -2.282 -8.590 1.00 0.00 PROA ATOM 8 HB1 TYR P 1 37.763 -2.586 -7.549 1.00 0.00 PROA ATOM 9 HB2 TYR P 1 38.183 -2.815 -9.306 1.00 0.00 PROA ATOM 10 CG TYR P 1 36.105 -2.721 -8.872 1.00 0.00 PROA ATOM 11 CD1 TYR P 1 35.650 -2.881 -10.185 1.00 0.00 PROA ATOM 12 HD1 TYR P 1 36.330 -2.710 -11.007 1.00 0.00 PROA ATOM 13 CE1 TYR P 1 34.332 -3.258 -10.452 1.00 0.00 PROA ATOM 14 HE1 TYR P 1 33.996 -3.379 -11.471 1.00 0.00 PROA ATOM 15 CZ TYR P 1 33.460 -3.475 -9.398 1.00 0.00 PROA ATOM 16 OH TYR P 1 32.156 -3.833 -9.650 1.00 0.00 PROA ATOM 17 HH TYR P 1 31.637 -3.636 -8.867 1.00 0.00 PROA ATOM 18 CD2 TYR P 1 35.206 -2.948 -7.832 1.00 0.00 PROA ATOM 19 HD2 TYR P 1 35.536 -2.832 -6.810 1.00 0.00 PROA ATOM 20 CE2 TYR P 1 33.888 -3.322 -8.087 1.00 0.00 PROA ATOM 21 HE2 TYR P 1 33.204 -3.492 -7.269 1.00 0.00 PROA ATOM 22 C TYR P 1 36.785 -0.067 -7.771 1.00 0.00 PROA ATOM 23 O TYR P 1 37.083 0.050 -6.587 1.00 0.00 PROA ATOM 24 N ASN P 2 35.647 0.402 -8.268 1.00 0.00 PROA ATOM 25 HN ASN P 2 35.407 0.320 -9.232 1.00 0.00 PROA ATOM 26 CA ASN P 2 34.681 1.070 -7.409 1.00 0.00 PROA ATOM 27 HA ASN P 2 35.174 1.316 -6.480 1.00 0.00 PROA ATOM 28 CB ASN P 2 34.144 2.340 -8.078 1.00 0.00 PROA ATOM 29 HB1 ASN P 2 33.312 2.747 -7.465 1.00 0.00 PROA ATOM 30 HB2 ASN P 2 33.761 2.082 -9.088 1.00 0.00 PROA ATOM 31 CG ASN P 2 35.206 3.417 -8.225 1.00 0.00 PROA ATOM 32 OD1 ASN P 2 35.951 3.691 -7.289 1.00 0.00 PROA ATOM 33 ND2 ASN P 2 35.268 4.043 -9.399 1.00 0.00 PROA ATOM 34 HD21 ASN P 2 35.949 4.760 -9.548 1.00 0.00 PROA ATOM 35 HD22 ASN P 2 34.634 3.796 -10.131 1.00 0.00 PROA ATOM 36 C ASN P 2 33.518 0.138 -7.066 1.00 0.00 PROA ATOM 37 O ASN P 2 32.712 -0.216 -7.929 1.00 0.00 PROA ATOM 38 N SER P 3 33.435 -0.261 -5.802 1.00 0.00 PROA ATOM 39 HN SER P 3 34.095 0.019 -5.109 1.00 0.00 PROA ATOM 40 CA SER P 3 32.364 -1.139 -5.357 1.00 0.00 PROA ATOM 41 HA SER P 3 32.279 -1.953 -6.062 1.00 0.00 PROA ATOM 42 CB SER P 3 32.674 -1.672 -3.960 1.00 0.00 PROA ATOM 43 HB1 SER P 3 31.834 -2.307 -3.608 1.00 0.00 PROA ATOM 44 HB2 SER P 3 32.814 -0.822 -3.259 1.00 0.00 PROA ATOM 45 OG SER P 3 33.859 -2.451 -3.974 1.00 0.00 PROA ATOM 46 HG1 SER P 3 34.587 -1.825 -3.959 1.00 0.00 PROA ATOM 47 C SER P 3 31.021 -0.402 -5.367 1.00 0.00 PROA ATOM 48 O SER P 3 29.958 -1.027 -5.307 1.00 0.00 PROA ATOM 49 N GLY P 4 31.080 0.928 -5.440 1.00 0.00 PROA ATOM 50 HN GLY P 4 31.946 1.422 -5.463 1.00 0.00 PROA ATOM 51 CA GLY P 4 29.874 1.740 -5.491 1.00 0.00 PROA ATOM 52 HA1 GLY P 4 29.176 1.222 -6.132 1.00 0.00 PROA ATOM 53 HA2 GLY P 4 30.153 2.686 -5.930 1.00 0.00 PROA ATOM 54 C GLY P 4 29.179 2.022 -4.173 1.00 0.00 PROA ATOM 55 O GLY P 4 27.954 2.155 -4.122 1.00 0.00 PROA ATOM 56 N LYS P 5 29.953 2.113 -3.100 1.00 0.00 PROA ATOM 57 HN LYS P 5 30.943 2.001 -3.142 1.00 0.00 PROA ATOM 58 CA LYS P 5 29.385 2.385 -1.790 1.00 0.00 PROA ATOM 59 HA LYS P 5 28.312 2.453 -1.894 1.00 0.00 PROA ATOM 60 CB LYS P 5 29.760 1.263 -0.818 1.00 0.00 PROA ATOM 61 HB1 LYS P 5 29.659 1.646 0.220 1.00 0.00 PROA ATOM 62 HB2 LYS P 5 30.819 0.981 -0.996 1.00 0.00 PROA ATOM 63 CG LYS P 5 28.895 0.016 -0.962 1.00 0.00 PROA ATOM 64 HG1 LYS P 5 28.488 -0.027 -1.994 1.00 0.00 PROA ATOM 65 HG2 LYS P 5 28.049 0.075 -0.244 1.00 0.00 PROA ATOM 66 CD LYS P 5 29.694 -1.253 -0.688 1.00 0.00 PROA ATOM 67 HD1 LYS P 5 30.094 -1.214 0.348 1.00 0.00 PROA ATOM 68 HD2 LYS P 5 30.545 -1.307 -1.400 1.00 0.00 PROA ATOM 69 CE LYS P 5 28.831 -2.506 -0.844 1.00 0.00 PROA ATOM 70 HE1 LYS P 5 29.441 -3.409 -0.629 1.00 0.00 PROA ATOM 71 HE2 LYS P 5 28.426 -2.555 -1.877 1.00 0.00 PROA ATOM 72 NZ LYS P 5 27.672 -2.506 0.098 1.00 0.00 PROA ATOM 73 HZ1 LYS P 5 27.075 -1.675 -0.087 1.00 0.00 PROA ATOM 74 HZ2 LYS P 5 28.021 -2.472 1.077 1.00 0.00 PROA ATOM 75 HZ3 LYS P 5 27.113 -3.372 -0.040 1.00 0.00 PROA ATOM 76 C LYS P 5 29.895 3.732 -1.287 1.00 0.00 PROA ATOM 77 O LYS P 5 29.454 4.787 -1.756 1.00 0.00 PROA ATOM 78 N LEU P 6 30.832 3.705 -0.344 1.00 0.00 PROA ATOM 79 HN LEU P 6 31.197 2.855 0.027 1.00 0.00 PROA ATOM 80 CA LEU P 6 31.376 4.943 0.198 1.00 0.00 PROA ATOM 81 HA LEU P 6 30.924 5.767 -0.334 1.00 0.00 PROA ATOM 82 CB LEU P 6 31.084 5.055 1.700 1.00 0.00 PROA ATOM 83 HB1 LEU P 6 31.657 5.924 2.082 1.00 0.00 PROA ATOM 84 HB2 LEU P 6 31.466 4.130 2.178 1.00 0.00 PROA ATOM 85 CG LEU P 6 29.633 5.234 2.155 1.00 0.00 PROA ATOM 86 HG LEU P 6 29.019 4.387 1.781 1.00 0.00 PROA ATOM 87 CD1 LEU P 6 29.570 5.276 3.670 1.00 0.00 PROA ATOM 88 HD11 LEU P 6 30.176 6.124 4.054 1.00 0.00 PROA ATOM 89 HD12 LEU P 6 29.975 4.331 4.092 1.00 0.00 PROA ATOM 90 HD13 LEU P 6 28.518 5.413 4.001 1.00 0.00 PROA ATOM 91 CD2 LEU P 6 29.066 6.514 1.573 1.00 0.00 PROA ATOM 92 HD21 LEU P 6 29.094 6.474 0.463 1.00 0.00 PROA ATOM 93 HD22 LEU P 6 29.669 7.383 1.912 1.00 0.00 PROA ATOM 94 HD23 LEU P 6 28.011 6.642 1.897 1.00 0.00 PROA ATOM 95 C LEU P 6 32.873 5.036 -0.018 1.00 0.00 PROA ATOM 96 O LEU P 6 33.514 5.952 0.497 1.00 0.00 PROA ATOM 97 N CGU P 7 33.438 4.113 -0.793 1.00 0.00 PROA ATOM 98 HN CGU P 7 32.926 3.390 -1.249 1.00 0.00 PROA ATOM 99 CA CGU P 7 34.876 4.146 -0.996 1.00 0.00 PROA ATOM 100 HA CGU P 7 35.345 4.341 -0.043 1.00 0.00 PROA ATOM 101 CB CGU P 7 35.389 2.817 -1.563 1.00 0.00 PROA ATOM 102 HB1 CGU P 7 35.028 2.014 -0.888 1.00 0.00 PROA ATOM 103 HB2 CGU P 7 36.497 2.853 -1.525 1.00 0.00 PROA ATOM 104 CG CGU P 7 35.001 2.417 -2.984 1.00 0.00 PROA ATOM 105 HG CGU P 7 34.618 3.323 -3.498 1.00 0.00 PROA ATOM 106 CD1 CGU P 7 36.078 1.831 -3.855 1.00 0.00 PROA ATOM 107 OE12 CGU P 7 35.951 0.642 -4.202 1.00 0.00 PROA ATOM 108 OE11 CGU P 7 37.052 2.541 -4.177 1.00 0.00 PROA ATOM 109 CD2 CGU P 7 33.552 2.495 -3.429 1.00 0.00 PROA ATOM 110 OE22 CGU P 7 33.303 2.964 -4.565 1.00 0.00 PROA ATOM 111 OE21 CGU P 7 32.667 2.059 -2.656 1.00 0.00 PROA ATOM 112 C CGU P 7 35.419 5.312 -1.805 1.00 0.00 PROA ATOM 113 O CGU P 7 36.623 5.563 -1.791 1.00 0.00 PROA ATOM 114 N CGU P 8 34.554 6.046 -2.496 1.00 0.00 PROA ATOM 115 HN CGU P 8 33.574 5.866 -2.526 1.00 0.00 PROA ATOM 116 CA CGU P 8 35.059 7.181 -3.255 1.00 0.00 PROA ATOM 117 HA CGU P 8 36.093 6.988 -3.500 1.00 0.00 PROA ATOM 118 CB CGU P 8 34.254 7.392 -4.540 1.00 0.00 PROA ATOM 119 HB1 CGU P 8 34.180 8.482 -4.739 1.00 0.00 PROA ATOM 120 HB2 CGU P 8 33.232 6.983 -4.392 1.00 0.00 PROA ATOM 121 CG CGU P 8 34.888 6.707 -5.766 1.00 0.00 PROA ATOM 122 HG CGU P 8 35.309 5.739 -5.425 1.00 0.00 PROA ATOM 123 CD1 CGU P 8 34.013 6.410 -6.961 1.00 0.00 PROA ATOM 124 OE12 CGU P 8 34.312 6.959 -8.042 1.00 0.00 PROA ATOM 125 OE11 CGU P 8 33.037 5.639 -6.827 1.00 0.00 PROA ATOM 126 CD2 CGU P 8 36.389 6.455 -5.784 1.00 0.00 PROA ATOM 127 OE22 CGU P 8 36.819 5.298 -5.606 1.00 0.00 PROA ATOM 128 OE21 CGU P 8 37.146 7.420 -5.983 1.00 0.00 PROA ATOM 129 C CGU P 8 35.119 8.463 -2.433 1.00 0.00 PROA ATOM 130 O CGU P 8 35.393 9.531 -2.962 1.00 0.00 PROA ATOM 131 N PHE P 9 34.867 8.342 -1.132 1.00 0.00 PROA ATOM 132 HN PHE P 9 34.618 7.469 -0.720 1.00 0.00 PROA ATOM 133 CA PHE P 9 34.939 9.483 -0.222 1.00 0.00 PROA ATOM 134 HA PHE P 9 34.834 10.383 -0.809 1.00 0.00 PROA ATOM 135 CB PHE P 9 33.839 9.413 0.839 1.00 0.00 PROA ATOM 136 HB1 PHE P 9 34.081 10.118 1.663 1.00 0.00 PROA ATOM 137 HB2 PHE P 9 33.775 8.375 1.230 1.00 0.00 PROA ATOM 138 CG PHE P 9 32.476 9.779 0.329 1.00 0.00 PROA ATOM 139 CD1 PHE P 9 31.775 8.916 -0.508 1.00 0.00 PROA ATOM 140 HD1 PHE P 9 32.212 7.969 -0.790 1.00 0.00 PROA ATOM 141 CE1 PHE P 9 30.517 9.263 -0.984 1.00 0.00 PROA ATOM 142 HE1 PHE P 9 29.980 8.588 -1.634 1.00 0.00 PROA ATOM 143 CZ PHE P 9 29.947 10.484 -0.623 1.00 0.00 PROA ATOM 144 HZ PHE P 9 28.969 10.756 -0.993 1.00 0.00 PROA ATOM 145 CD2 PHE P 9 31.895 10.993 0.681 1.00 0.00 PROA ATOM 146 HD2 PHE P 9 32.430 11.670 1.330 1.00 0.00 PROA ATOM 147 CE2 PHE P 9 30.639 11.347 0.211 1.00 0.00 PROA ATOM 148 HE2 PHE P 9 30.202 12.293 0.494 1.00 0.00 PROA ATOM 149 C PHE P 9 36.300 9.425 0.461 1.00 0.00 PROA ATOM 150 O PHE P 9 36.785 10.412 1.005 1.00 0.00 PROA ATOM 151 N VAL P 10 36.898 8.240 0.426 1.00 0.00 PROA ATOM 152 HN VAL P 10 36.469 7.453 -0.011 1.00 0.00 PROA ATOM 153 CA VAL P 10 38.206 7.995 1.012 1.00 0.00 PROA ATOM 154 HA VAL P 10 38.314 8.637 1.874 1.00 0.00 PROA ATOM 155 CB VAL P 10 38.338 6.518 1.423 1.00 0.00 PROA ATOM 156 HB VAL P 10 37.755 5.887 0.719 1.00 0.00 PROA ATOM 157 CG1 VAL P 10 39.781 6.087 1.400 1.00 0.00 PROA ATOM 158 HG11 VAL P 10 40.405 6.813 1.963 1.00 0.00 PROA ATOM 159 HG12 VAL P 10 40.146 6.044 0.352 1.00 0.00 PROA ATOM 160 HG13 VAL P 10 39.885 5.087 1.874 1.00 0.00 PROA ATOM 161 CG2 VAL P 10 37.762 6.327 2.805 1.00 0.00 PROA ATOM 162 HG21 VAL P 10 36.689 6.613 2.814 1.00 0.00 PROA ATOM 163 HG22 VAL P 10 38.306 6.966 3.533 1.00 0.00 PROA ATOM 164 HG23 VAL P 10 37.847 5.261 3.106 1.00 0.00 PROA ATOM 165 C VAL P 10 39.306 8.360 0.020 1.00 0.00 PROA ATOM 166 O VAL P 10 39.146 8.215 -1.194 1.00 0.00 PROA ATOM 167 N GLN P 11 40.423 8.844 0.549 1.00 0.00 PROA ATOM 168 HN GLN P 11 40.536 8.954 1.533 1.00 0.00 PROA ATOM 169 CA GLN P 11 41.554 9.245 -0.270 1.00 0.00 PROA ATOM 170 HA GLN P 11 41.231 10.035 -0.931 1.00 0.00 PROA ATOM 171 CB GLN P 11 42.688 9.727 0.629 1.00 0.00 PROA ATOM 172 HB1 GLN P 11 43.054 8.863 1.223 1.00 0.00 PROA ATOM 173 HB2 GLN P 11 42.283 10.495 1.321 1.00 0.00 PROA ATOM 174 CG GLN P 11 43.854 10.322 -0.106 1.00 0.00 PROA ATOM 175 HG1 GLN P 11 43.512 11.217 -0.669 1.00 0.00 PROA ATOM 176 HG2 GLN P 11 44.254 9.572 -0.821 1.00 0.00 PROA ATOM 177 CD GLN P 11 44.966 10.737 0.835 1.00 0.00 PROA ATOM 178 OE1 GLN P 11 45.576 9.900 1.501 1.00 0.00 PROA ATOM 179 NE2 GLN P 11 45.233 12.036 0.897 1.00 0.00 PROA ATOM 180 HE21 GLN P 11 45.957 12.369 1.501 1.00 0.00 PROA ATOM 181 HE22 GLN P 11 44.710 12.681 0.340 1.00 0.00 PROA ATOM 182 C GLN P 11 42.027 8.073 -1.122 1.00 0.00 PROA ATOM 183 O GLN P 11 42.131 6.948 -0.638 1.00 0.00 PROA ATOM 184 N GLY P 12 42.315 8.344 -2.391 1.00 0.00 PROA ATOM 185 HN GLY P 12 42.235 9.259 -2.779 1.00 0.00 PROA ATOM 186 CA GLY P 12 42.768 7.295 -3.283 1.00 0.00 PROA ATOM 187 HA1 GLY P 12 42.866 7.720 -4.271 1.00 0.00 PROA ATOM 188 HA2 GLY P 12 42.019 6.517 -3.285 1.00 0.00 PROA ATOM 189 C GLY P 12 44.098 6.698 -2.870 1.00 0.00 PROA ATOM 190 O GLY P 12 44.943 7.377 -2.284 1.00 0.00 PROA ATOM 191 N ASN P 13 44.273 5.415 -3.167 1.00 0.00 PROA ATOM 192 HN ASN P 13 43.565 4.878 -3.619 1.00 0.00 PROA ATOM 193 CA ASN P 13 45.505 4.705 -2.856 1.00 0.00 PROA ATOM 194 HA ASN P 13 46.296 5.434 -2.756 1.00 0.00 PROA ATOM 195 CB ASN P 13 45.351 3.905 -1.558 1.00 0.00 PROA ATOM 196 HB1 ASN P 13 44.531 3.166 -1.684 1.00 0.00 PROA ATOM 197 HB2 ASN P 13 45.090 4.602 -0.733 1.00 0.00 PROA ATOM 198 CG ASN P 13 46.619 3.159 -1.177 1.00 0.00 PROA ATOM 199 OD1 ASN P 13 46.937 2.121 -1.751 1.00 0.00 PROA ATOM 200 ND2 ASN P 13 47.357 3.695 -0.211 1.00 0.00 PROA ATOM 201 HD21 ASN P 13 48.202 3.246 0.080 1.00 0.00 PROA ATOM 202 HD22 ASN P 13 47.068 4.547 0.225 1.00 0.00 PROA ATOM 203 C ASN P 13 45.817 3.782 -4.030 1.00 0.00 PROA ATOM 204 O ASN P 13 44.959 3.021 -4.479 1.00 0.00 PROA ATOM 205 N LEU P 14 47.046 3.865 -4.526 1.00 0.00 PROA ATOM 206 HN LEU P 14 47.729 4.477 -4.134 1.00 0.00 PROA ATOM 207 CA LEU P 14 47.487 3.075 -5.671 1.00 0.00 PROA ATOM 208 HA LEU P 14 46.752 3.176 -6.456 1.00 0.00 PROA ATOM 209 CB LEU P 14 48.852 3.574 -6.146 1.00 0.00 PROA ATOM 210 HB1 LEU P 14 49.618 3.191 -5.441 1.00 0.00 PROA ATOM 211 HB2 LEU P 14 48.843 4.683 -6.102 1.00 0.00 PROA ATOM 212 CG LEU P 14 49.269 3.165 -7.558 1.00 0.00 PROA ATOM 213 HG LEU P 14 49.302 2.057 -7.633 1.00 0.00 PROA ATOM 214 CD1 LEU P 14 48.259 3.719 -8.555 1.00 0.00 PROA ATOM 215 HD11 LEU P 14 48.091 4.801 -8.367 1.00 0.00 PROA ATOM 216 HD12 LEU P 14 47.290 3.186 -8.448 1.00 0.00 PROA ATOM 217 HD13 LEU P 14 48.642 3.594 -9.590 1.00 0.00 PROA ATOM 218 CD2 LEU P 14 50.656 3.702 -7.865 1.00 0.00 PROA ATOM 219 HD21 LEU P 14 51.392 3.294 -7.140 1.00 0.00 PROA ATOM 220 HD22 LEU P 14 50.658 4.810 -7.787 1.00 0.00 PROA ATOM 221 HD23 LEU P 14 50.961 3.398 -8.889 1.00 0.00 PROA ATOM 222 C LEU P 14 47.565 1.577 -5.399 1.00 0.00 PROA ATOM 223 O LEU P 14 47.167 0.765 -6.234 1.00 0.00 PROA ATOM 224 N CGU P 15 48.076 1.217 -4.228 1.00 0.00 PROA ATOM 225 HN CGU P 15 48.380 1.886 -3.555 1.00 0.00 PROA ATOM 226 CA CGU P 15 48.225 -0.185 -3.851 1.00 0.00 PROA ATOM 227 HA CGU P 15 48.793 -0.689 -4.619 1.00 0.00 PROA ATOM 228 CB CGU P 15 48.955 -0.283 -2.507 1.00 0.00 PROA ATOM 229 HB1 CGU P 15 48.276 0.103 -1.718 1.00 0.00 PROA ATOM 230 HB2 CGU P 15 49.855 0.365 -2.557 1.00 0.00 PROA ATOM 231 CG CGU P 15 49.405 -1.687 -2.099 1.00 0.00 PROA ATOM 232 HG CGU P 15 48.621 -2.103 -1.433 1.00 0.00 PROA ATOM 233 CD1 CGU P 15 49.660 -2.724 -3.176 1.00 0.00 PROA ATOM 234 OE12 CGU P 15 49.333 -3.909 -2.950 1.00 0.00 PROA ATOM 235 OE11 CGU P 15 50.203 -2.361 -4.238 1.00 0.00 PROA ATOM 236 CD2 CGU P 15 49.624 -1.976 -0.627 1.00 0.00 PROA ATOM 237 OE22 CGU P 15 48.971 -2.900 -0.094 1.00 0.00 PROA ATOM 238 OE21 CGU P 15 50.454 -1.280 -0.001 1.00 0.00 PROA ATOM 239 C CGU P 15 46.899 -0.944 -3.777 1.00 0.00 PROA ATOM 240 O CGU P 15 46.790 -2.045 -4.317 1.00 0.00 PROA ATOM 241 N ARG P 16 45.888 -0.365 -3.129 1.00 0.00 PROA ATOM 242 HN ARG P 16 45.957 0.541 -2.718 1.00 0.00 PROA ATOM 243 CA ARG P 16 44.607 -1.055 -2.994 1.00 0.00 PROA ATOM 244 HA ARG P 16 44.793 -2.118 -3.024 1.00 0.00 PROA ATOM 245 CB ARG P 16 43.932 -0.668 -1.675 1.00 0.00 PROA ATOM 246 HB1 ARG P 16 44.706 -0.640 -0.879 1.00 0.00 PROA ATOM 247 HB2 ARG P 16 43.183 -1.448 -1.422 1.00 0.00 PROA ATOM 248 CG ARG P 16 43.238 0.665 -1.711 1.00 0.00 PROA ATOM 249 HG1 ARG P 16 42.941 0.892 -2.757 1.00 0.00 PROA ATOM 250 HG2 ARG P 16 43.941 1.450 -1.359 1.00 0.00 PROA ATOM 251 CD ARG P 16 41.999 0.675 -0.829 1.00 0.00 PROA ATOM 252 HD1 ARG P 16 42.291 0.652 0.243 1.00 0.00 PROA ATOM 253 HD2 ARG P 16 41.352 -0.196 -1.067 1.00 0.00 PROA ATOM 254 NE ARG P 16 41.231 1.892 -1.066 1.00 0.00 PROA ATOM 255 HE ARG P 16 40.330 1.806 -1.490 1.00 0.00 PROA ATOM 256 CZ ARG P 16 41.661 3.107 -0.751 1.00 0.00 PROA ATOM 257 NH1 ARG P 16 42.847 3.257 -0.173 1.00 0.00 PROA ATOM 258 HH11 ARG P 16 43.412 2.456 0.023 1.00 0.00 PROA ATOM 259 HH12 ARG P 16 43.175 4.171 0.066 1.00 0.00 PROA ATOM 260 NH2 ARG P 16 40.925 4.169 -1.038 1.00 0.00 PROA ATOM 261 HH21 ARG P 16 39.983 4.054 -1.354 1.00 0.00 PROA ATOM 262 HH22 ARG P 16 41.311 5.086 -0.938 1.00 0.00 PROA ATOM 263 C ARG P 16 43.606 -0.875 -4.145 1.00 0.00 PROA ATOM 264 O ARG P 16 42.719 -1.711 -4.329 1.00 0.00 PROA ATOM 265 N CGU P 17 43.738 0.205 -4.908 1.00 0.00 PROA ATOM 266 HN CGU P 17 44.450 0.885 -4.752 1.00 0.00 PROA ATOM 267 CA CGU P 17 42.833 0.455 -6.031 1.00 0.00 PROA ATOM 268 HA CGU P 17 41.905 -0.061 -5.836 1.00 0.00 PROA ATOM 269 CB CGU P 17 42.565 1.956 -6.203 1.00 0.00 PROA ATOM 270 HB1 CGU P 17 42.380 2.141 -7.281 1.00 0.00 PROA ATOM 271 HB2 CGU P 17 43.484 2.497 -5.896 1.00 0.00 PROA ATOM 272 CG CGU P 17 41.392 2.559 -5.423 1.00 0.00 PROA ATOM 273 HG CGU P 17 41.379 2.088 -4.418 1.00 0.00 PROA ATOM 274 CD1 CGU P 17 41.379 4.051 -5.214 1.00 0.00 PROA ATOM 275 OE12 CGU P 17 42.463 4.663 -5.208 1.00 0.00 PROA ATOM 276 OE11 CGU P 17 40.279 4.612 -5.056 1.00 0.00 PROA ATOM 277 CD2 CGU P 17 40.232 1.681 -4.997 1.00 0.00 PROA ATOM 278 OE22 CGU P 17 40.227 1.205 -3.840 1.00 0.00 PROA ATOM 279 OE21 CGU P 17 39.324 1.470 -5.827 1.00 0.00 PROA ATOM 280 C CGU P 17 43.351 -0.085 -7.368 1.00 0.00 PROA ATOM 281 O CGU P 17 42.589 -0.667 -8.140 1.00 0.00 PROA ATOM 282 N CYS P 18 44.639 0.110 -7.644 1.00 0.00 PROA ATOM 283 HN CYS P 18 45.262 0.560 -7.009 1.00 0.00 PROA ATOM 284 CA CYS P 18 45.210 -0.335 -8.914 1.00 0.00 PROA ATOM 285 HA CYS P 18 44.399 -0.634 -9.561 1.00 0.00 PROA ATOM 286 CB CYS P 18 46.015 0.795 -9.555 1.00 0.00 PROA ATOM 287 HB1 CYS P 18 46.447 0.404 -10.499 1.00 0.00 PROA ATOM 288 HB2 CYS P 18 46.845 1.048 -8.864 1.00 0.00 PROA ATOM 289 SG CYS P 18 45.103 2.327 -9.936 1.00 0.00 PROA ATOM 290 C CYS P 18 46.084 -1.587 -8.874 1.00 0.00 PROA ATOM 291 O CYS P 18 46.421 -2.134 -9.926 1.00 0.00 PROA ATOM 292 N MET P 19 46.475 -2.038 -7.687 1.00 0.00 PROA ATOM 293 HN MET P 19 46.233 -1.593 -6.828 1.00 0.00 PROA ATOM 294 CA MET P 19 47.298 -3.238 -7.604 1.00 0.00 PROA ATOM 295 HA MET P 19 47.542 -3.543 -8.611 1.00 0.00 PROA ATOM 296 CB MET P 19 48.580 -2.978 -6.805 1.00 0.00 PROA ATOM 297 HB1 MET P 19 49.168 -3.919 -6.774 1.00 0.00 PROA ATOM 298 HB2 MET P 19 48.294 -2.697 -5.769 1.00 0.00 PROA ATOM 299 CG MET P 19 49.474 -1.870 -7.375 1.00 0.00 PROA ATOM 300 HG1 MET P 19 50.451 -1.920 -6.851 1.00 0.00 PROA ATOM 301 HG2 MET P 19 48.999 -0.896 -7.138 1.00 0.00 PROA ATOM 302 SD MET P 19 49.769 -1.954 -9.169 1.00 0.00 PROA ATOM 303 CE MET P 19 50.966 -3.309 -9.286 1.00 0.00 PROA ATOM 304 HE1 MET P 19 50.546 -4.254 -8.881 1.00 0.00 PROA ATOM 305 HE2 MET P 19 51.881 -3.064 -8.706 1.00 0.00 PROA ATOM 306 HE3 MET P 19 51.245 -3.484 -10.347 1.00 0.00 PROA ATOM 307 C MET P 19 46.510 -4.381 -6.981 1.00 0.00 PROA ATOM 308 O MET P 19 46.601 -5.519 -7.433 1.00 0.00 PROA ATOM 309 N CGU P 20 45.734 -4.076 -5.945 1.00 0.00 PROA ATOM 310 HN CGU P 20 45.681 -3.153 -5.573 1.00 0.00 PROA ATOM 311 CA CGU P 20 44.908 -5.086 -5.288 1.00 0.00 PROA ATOM 312 HA CGU P 20 45.470 -6.007 -5.248 1.00 0.00 PROA ATOM 313 CB CGU P 20 44.528 -4.647 -3.867 1.00 0.00 PROA ATOM 314 HB1 CGU P 20 43.568 -5.138 -3.601 1.00 0.00 PROA ATOM 315 HB2 CGU P 20 44.381 -3.547 -3.875 1.00 0.00 PROA ATOM 316 CG CGU P 20 45.545 -4.979 -2.780 1.00 0.00 PROA ATOM 317 HG CGU P 20 46.553 -4.935 -3.242 1.00 0.00 PROA ATOM 318 CD1 CGU P 20 45.585 -4.103 -1.541 1.00 0.00 PROA ATOM 319 OE12 CGU P 20 44.936 -4.459 -0.535 1.00 0.00 PROA ATOM 320 OE11 CGU P 20 46.255 -3.052 -1.575 1.00 0.00 PROA ATOM 321 CD2 CGU P 20 46.434 -6.197 -2.960 1.00 0.00 PROA ATOM 322 OE22 CGU P 20 47.668 -6.026 -3.053 1.00 0.00 PROA ATOM 323 OE21 CGU P 20 45.903 -7.325 -3.009 1.00 0.00 PROA ATOM 324 C CGU P 20 43.638 -5.250 -6.116 1.00 0.00 PROA ATOM 325 O CGU P 20 43.040 -6.324 -6.160 1.00 0.00 PROA ATOM 326 N CGU P 21 43.237 -4.161 -6.764 1.00 0.00 PROA ATOM 327 HN CGU P 21 43.741 -3.303 -6.707 1.00 0.00 PROA ATOM 328 CA CGU P 21 42.042 -4.135 -7.600 1.00 0.00 PROA ATOM 329 HA CGU P 21 41.628 -5.132 -7.628 1.00 0.00 PROA ATOM 330 CB CGU P 21 41.001 -3.155 -7.040 1.00 0.00 PROA ATOM 331 HB1 CGU P 21 40.195 -3.060 -7.796 1.00 0.00 PROA ATOM 332 HB2 CGU P 21 41.502 -2.173 -6.919 1.00 0.00 PROA ATOM 333 CG CGU P 21 40.341 -3.496 -5.712 1.00 0.00 PROA ATOM 334 HG CGU P 21 40.990 -3.092 -4.908 1.00 0.00 PROA ATOM 335 CD1 CGU P 21 40.076 -4.944 -5.372 1.00 0.00 PROA ATOM 336 OE12 CGU P 21 40.680 -5.456 -4.403 1.00 0.00 PROA ATOM 337 OE11 CGU P 21 39.256 -5.571 -6.075 1.00 0.00 PROA ATOM 338 CD2 CGU P 21 39.882 -2.352 -4.833 1.00 0.00 PROA ATOM 339 OE22 CGU P 21 40.133 -2.393 -3.614 1.00 0.00 PROA ATOM 340 OE21 CGU P 21 39.256 -1.412 -5.367 1.00 0.00 PROA ATOM 341 C CGU P 21 42.425 -3.643 -8.992 1.00 0.00 PROA ATOM 342 O CGU P 21 43.548 -3.189 -9.215 1.00 0.00 PROA ATOM 343 N LYS P 22 41.488 -3.738 -9.928 1.00 0.00 PROA ATOM 344 HN LYS P 22 40.597 -4.151 -9.758 1.00 0.00 PROA ATOM 345 CA LYS P 22 41.727 -3.233 -11.268 1.00 0.00 PROA ATOM 346 HA LYS P 22 42.794 -3.229 -11.431 1.00 0.00 PROA ATOM 347 CB LYS P 22 41.038 -4.086 -12.336 1.00 0.00 PROA ATOM 348 HB1 LYS P 22 39.988 -4.274 -12.026 1.00 0.00 PROA ATOM 349 HB2 LYS P 22 41.568 -5.058 -12.419 1.00 0.00 PROA ATOM 350 CG LYS P 22 41.038 -3.400 -13.704 1.00 0.00 PROA ATOM 351 HG1 LYS P 22 42.008 -2.877 -13.840 1.00 0.00 PROA ATOM 352 HG2 LYS P 22 40.219 -2.650 -13.726 1.00 0.00 PROA ATOM 353 CD LYS P 22 40.842 -4.365 -14.854 1.00 0.00 PROA ATOM 354 HD1 LYS P 22 39.823 -4.804 -14.798 1.00 0.00 PROA ATOM 355 HD2 LYS P 22 41.590 -5.183 -14.781 1.00 0.00 PROA ATOM 356 CE LYS P 22 41.010 -3.644 -16.183 1.00 0.00 PROA ATOM 357 HE1 LYS P 22 40.165 -2.940 -16.338 1.00 0.00 PROA ATOM 358 HE2 LYS P 22 41.047 -4.384 -17.010 1.00 0.00 PROA ATOM 359 NZ LYS P 22 42.276 -2.853 -16.222 1.00 0.00 PROA ATOM 360 HZ1 LYS P 22 43.070 -3.454 -15.923 1.00 0.00 PROA ATOM 361 HZ2 LYS P 22 42.196 -2.039 -15.580 1.00 0.00 PROA ATOM 362 HZ3 LYS P 22 42.443 -2.514 -17.191 1.00 0.00 PROA ATOM 363 C LYS P 22 41.113 -1.845 -11.253 1.00 0.00 PROA ATOM 364 O LYS P 22 39.941 -1.688 -10.906 1.00 0.00 PROA ATOM 365 N CYS P 23 41.896 -0.839 -11.623 1.00 0.00 PROA ATOM 366 HN CYS P 23 42.839 -0.968 -11.920 1.00 0.00 PROA ATOM 367 CA CYS P 23 41.394 0.523 -11.608 1.00 0.00 PROA ATOM 368 HA CYS P 23 40.392 0.510 -11.206 1.00 0.00 PROA ATOM 369 CB CYS P 23 42.309 1.405 -10.746 1.00 0.00 PROA ATOM 370 HB1 CYS P 23 42.509 0.865 -9.797 1.00 0.00 PROA ATOM 371 HB2 CYS P 23 41.759 2.340 -10.510 1.00 0.00 PROA ATOM 372 SG CYS P 23 43.902 1.845 -11.512 1.00 0.00 PROA ATOM 373 C CYS P 23 41.252 1.135 -12.997 1.00 0.00 PROA ATOM 374 O CYS P 23 41.828 0.647 -13.971 1.00 0.00 PROA ATOM 375 N SER P 24 40.466 2.206 -13.074 1.00 0.00 PROA ATOM 376 HN SER P 24 39.985 2.567 -12.279 1.00 0.00 PROA ATOM 377 CA SER P 24 40.257 2.921 -14.325 1.00 0.00 PROA ATOM 378 HA SER P 24 40.422 2.229 -15.138 1.00 0.00 PROA ATOM 379 CB SER P 24 38.838 3.488 -14.390 1.00 0.00 PROA ATOM 380 HB1 SER P 24 38.115 2.719 -14.044 1.00 0.00 PROA ATOM 381 HB2 SER P 24 38.600 3.775 -15.437 1.00 0.00 PROA ATOM 382 OG SER P 24 38.709 4.636 -13.565 1.00 0.00 PROA ATOM 383 HG1 SER P 24 38.288 4.335 -12.757 1.00 0.00 PROA ATOM 384 C SER P 24 41.260 4.070 -14.354 1.00 0.00 PROA ATOM 385 O SER P 24 41.854 4.407 -13.333 1.00 0.00 PROA ATOM 386 N PHE P 25 41.442 4.673 -15.522 1.00 0.00 PROA ATOM 387 HN PHE P 25 40.953 4.398 -16.346 1.00 0.00 PROA ATOM 388 CA PHE P 25 42.376 5.781 -15.663 1.00 0.00 PROA ATOM 389 HA PHE P 25 43.362 5.423 -15.405 1.00 0.00 PROA ATOM 390 CB PHE P 25 42.362 6.317 -17.102 1.00 0.00 PROA ATOM 391 HB1 PHE P 25 41.444 6.922 -17.259 1.00 0.00 PROA ATOM 392 HB2 PHE P 25 42.382 5.462 -17.811 1.00 0.00 PROA ATOM 393 CG PHE P 25 43.538 7.197 -17.431 1.00 0.00 PROA ATOM 394 CD1 PHE P 25 44.757 6.640 -17.802 1.00 0.00 PROA ATOM 395 HD1 PHE P 25 44.848 5.567 -17.887 1.00 0.00 PROA ATOM 396 CE1 PHE P 25 45.864 7.448 -18.066 1.00 0.00 PROA ATOM 397 HE1 PHE P 25 46.804 6.999 -18.352 1.00 0.00 PROA ATOM 398 CZ PHE P 25 45.758 8.823 -17.962 1.00 0.00 PROA ATOM 399 HZ PHE P 25 46.614 9.449 -18.165 1.00 0.00 PROA ATOM 400 CD2 PHE P 25 43.441 8.580 -17.332 1.00 0.00 PROA ATOM 401 HD2 PHE P 25 42.501 9.030 -17.049 1.00 0.00 PROA ATOM 402 CE2 PHE P 25 44.547 9.396 -17.595 1.00 0.00 PROA ATOM 403 HE2 PHE P 25 44.459 10.469 -17.513 1.00 0.00 PROA ATOM 404 C PHE P 25 42.024 6.913 -14.694 1.00 0.00 PROA ATOM 405 O PHE P 25 42.910 7.476 -14.047 1.00 0.00 PROA ATOM 406 N CGU P 26 40.737 7.246 -14.594 1.00 0.00 PROA ATOM 407 HN CGU P 26 40.024 6.784 -15.115 1.00 0.00 PROA ATOM 408 CA CGU P 26 40.299 8.320 -13.704 1.00 0.00 PROA ATOM 409 HA CGU P 26 40.854 9.213 -13.951 1.00 0.00 PROA ATOM 410 CB CGU P 26 38.796 8.577 -13.870 1.00 0.00 PROA ATOM 411 HB1 CGU P 26 38.251 7.696 -13.470 1.00 0.00 PROA ATOM 412 HB2 CGU P 26 38.582 8.672 -14.955 1.00 0.00 PROA ATOM 413 CG CGU P 26 38.249 9.839 -13.163 1.00 0.00 PROA ATOM 414 HG CGU P 26 38.699 9.876 -12.149 1.00 0.00 PROA ATOM 415 CD1 CGU P 26 36.753 9.965 -12.989 1.00 0.00 PROA ATOM 416 OE12 CGU P 26 36.010 9.224 -13.667 1.00 0.00 PROA ATOM 417 OE11 CGU P 26 36.317 10.818 -12.183 1.00 0.00 PROA ATOM 418 CD2 CGU P 26 39.205 10.957 -12.742 1.00 0.00 PROA ATOM 419 OE22 CGU P 26 39.094 11.446 -11.597 1.00 0.00 PROA ATOM 420 OE21 CGU P 26 40.051 11.365 -13.563 1.00 0.00 PROA ATOM 421 C CGU P 26 40.606 7.955 -12.256 1.00 0.00 PROA ATOM 422 O CGU P 26 40.964 8.818 -11.457 1.00 0.00 PROA ATOM 423 N CGU P 27 40.467 6.675 -11.926 1.00 0.00 PROA ATOM 424 HN CGU P 27 40.166 5.987 -12.582 1.00 0.00 PROA ATOM 425 CA CGU P 27 40.748 6.197 -10.577 1.00 0.00 PROA ATOM 426 HA CGU P 27 40.134 6.753 -9.884 1.00 0.00 PROA ATOM 427 CB CGU P 27 40.436 4.706 -10.471 1.00 0.00 PROA ATOM 428 HB1 CGU P 27 41.338 4.197 -10.073 1.00 0.00 PROA ATOM 429 HB2 CGU P 27 40.230 4.328 -11.494 1.00 0.00 PROA ATOM 430 CG CGU P 27 39.250 4.322 -9.582 1.00 0.00 PROA ATOM 431 HG CGU P 27 38.502 3.827 -10.235 1.00 0.00 PROA ATOM 432 CD1 CGU P 27 38.502 5.391 -8.802 1.00 0.00 PROA ATOM 433 OE12 CGU P 27 38.784 5.523 -7.593 1.00 0.00 PROA ATOM 434 OE11 CGU P 27 37.638 6.087 -9.373 1.00 0.00 PROA ATOM 435 CD2 CGU P 27 38.896 2.866 -9.466 1.00 0.00 PROA ATOM 436 OE22 CGU P 27 38.815 2.378 -8.320 1.00 0.00 PROA ATOM 437 OE21 CGU P 27 38.697 2.211 -10.510 1.00 0.00 PROA ATOM 438 C CGU P 27 42.223 6.434 -10.245 1.00 0.00 PROA ATOM 439 O CGU P 27 42.562 6.823 -9.127 1.00 0.00 PROA ATOM 440 N ALA P 28 43.097 6.199 -11.220 1.00 0.00 PROA ATOM 441 HN ALA P 28 42.814 5.883 -12.122 1.00 0.00 PROA ATOM 442 CA ALA P 28 44.530 6.391 -11.024 1.00 0.00 PROA ATOM 443 HA ALA P 28 44.797 5.977 -10.063 1.00 0.00 PROA ATOM 444 CB ALA P 28 45.310 5.701 -12.134 1.00 0.00 PROA ATOM 445 HB1 ALA P 28 45.024 6.124 -13.121 1.00 0.00 PROA ATOM 446 HB2 ALA P 28 45.084 4.613 -12.135 1.00 0.00 PROA ATOM 447 HB3 ALA P 28 46.400 5.857 -11.983 1.00 0.00 PROA ATOM 448 C ALA P 28 44.886 7.875 -10.977 1.00 0.00 PROA ATOM 449 O ALA P 28 45.737 8.289 -10.185 1.00 0.00 PROA ATOM 450 N ARG P 29 44.235 8.679 -11.818 1.00 0.00 PROA ATOM 451 HN ARG P 29 43.547 8.347 -12.459 1.00 0.00 PROA ATOM 452 CA ARG P 29 44.511 10.110 -11.833 1.00 0.00 PROA ATOM 453 HA ARG P 29 45.572 10.240 -11.982 1.00 0.00 PROA ATOM 454 CB ARG P 29 43.733 10.819 -12.942 1.00 0.00 PROA ATOM 455 HB1 ARG P 29 42.658 10.841 -12.664 1.00 0.00 PROA ATOM 456 HB2 ARG P 29 43.850 10.241 -13.883 1.00 0.00 PROA ATOM 457 CG ARG P 29 44.204 12.253 -13.187 1.00 0.00 PROA ATOM 458 HG1 ARG P 29 45.076 12.238 -13.875 1.00 0.00 PROA ATOM 459 HG2 ARG P 29 44.517 12.704 -12.221 1.00 0.00 PROA ATOM 460 CD ARG P 29 43.105 13.098 -13.797 1.00 0.00 PROA ATOM 461 HD1 ARG P 29 42.733 12.621 -14.729 1.00 0.00 PROA ATOM 462 HD2 ARG P 29 43.488 14.117 -14.017 1.00 0.00 PROA ATOM 463 NE ARG P 29 41.978 13.229 -12.877 1.00 0.00 PROA ATOM 464 HE ARG P 29 41.112 12.802 -13.136 1.00 0.00 PROA ATOM 465 CZ ARG P 29 42.028 13.879 -11.717 1.00 0.00 PROA ATOM 466 NH1 ARG P 29 43.153 14.474 -11.330 1.00 0.00 PROA ATOM 467 HH11 ARG P 29 43.965 14.434 -11.912 1.00 0.00 PROA ATOM 468 HH12 ARG P 29 43.186 14.961 -10.457 1.00 0.00 PROA ATOM 469 NH2 ARG P 29 40.953 13.924 -10.934 1.00 0.00 PROA ATOM 470 HH21 ARG P 29 40.109 13.470 -11.218 1.00 0.00 PROA ATOM 471 HH22 ARG P 29 40.990 14.412 -10.062 1.00 0.00 PROA ATOM 472 C ARG P 29 44.110 10.690 -10.485 1.00 0.00 PROA ATOM 473 O ARG P 29 44.656 11.706 -10.051 1.00 0.00 PROA ATOM 474 N CGU P 30 43.149 10.044 -9.830 1.00 0.00 PROA ATOM 475 HN CGU P 30 42.699 9.236 -10.203 1.00 0.00 PROA ATOM 476 CA CGU P 30 42.697 10.487 -8.518 1.00 0.00 PROA ATOM 477 HA CGU P 30 42.435 11.532 -8.586 1.00 0.00 PROA ATOM 478 CB CGU P 30 41.481 9.676 -8.056 1.00 0.00 PROA ATOM 479 HB1 CGU P 30 41.588 9.478 -6.969 1.00 0.00 PROA ATOM 480 HB2 CGU P 30 41.482 8.708 -8.600 1.00 0.00 PROA ATOM 481 CG CGU P 30 40.128 10.354 -8.288 1.00 0.00 PROA ATOM 482 HG CGU P 30 39.849 10.180 -9.348 1.00 0.00 PROA ATOM 483 CD1 CGU P 30 39.999 11.844 -8.040 1.00 0.00 PROA ATOM 484 OE12 CGU P 30 40.790 12.396 -7.242 1.00 0.00 PROA ATOM 485 OE11 CGU P 30 39.087 12.461 -8.632 1.00 0.00 PROA ATOM 486 CD2 CGU P 30 38.930 9.493 -8.660 1.00 0.00 PROA ATOM 487 OE22 CGU P 30 38.257 9.800 -9.664 1.00 0.00 PROA ATOM 488 OE21 CGU P 30 38.654 8.514 -7.938 1.00 0.00 PROA ATOM 489 C CGU P 30 43.841 10.332 -7.518 1.00 0.00 PROA ATOM 490 O CGU P 30 43.881 11.028 -6.510 1.00 0.00 PROA ATOM 491 N VAL P 31 44.765 9.417 -7.806 1.00 0.00 PROA ATOM 492 HN VAL P 31 44.707 8.846 -8.621 1.00 0.00 PROA ATOM 493 CA VAL P 31 45.925 9.190 -6.945 1.00 0.00 PROA ATOM 494 HA VAL P 31 45.621 9.375 -5.926 1.00 0.00 PROA ATOM 495 CB VAL P 31 46.464 7.744 -7.086 1.00 0.00 PROA ATOM 496 HB VAL P 31 46.850 7.591 -8.116 1.00 0.00 PROA ATOM 497 CG1 VAL P 31 47.584 7.504 -6.084 1.00 0.00 PROA ATOM 498 HG11 VAL P 31 47.207 7.647 -5.049 1.00 0.00 PROA ATOM 499 HG12 VAL P 31 48.412 8.223 -6.263 1.00 0.00 PROA ATOM 500 HG13 VAL P 31 47.963 6.464 -6.183 1.00 0.00 PROA ATOM 501 CG2 VAL P 31 45.339 6.741 -6.860 1.00 0.00 PROA ATOM 502 HG21 VAL P 31 44.532 6.897 -7.608 1.00 0.00 PROA ATOM 503 HG22 VAL P 31 44.911 6.875 -5.843 1.00 0.00 PROA ATOM 504 HG23 VAL P 31 45.728 5.706 -6.969 1.00 0.00 PROA ATOM 505 C VAL P 31 47.016 10.187 -7.350 1.00 0.00 PROA ATOM 506 O VAL P 31 47.381 11.063 -6.566 1.00 0.00 PROA ATOM 507 N PHE P 32 47.541 10.054 -8.567 1.00 0.00 PROA ATOM 508 HN PHE P 32 47.275 9.322 -9.189 1.00 0.00 PROA ATOM 509 CA PHE P 32 48.550 10.994 -9.055 1.00 0.00 PROA ATOM 510 HA PHE P 32 49.301 11.093 -8.286 1.00 0.00 PROA ATOM 511 CB PHE P 32 49.202 10.530 -10.364 1.00 0.00 PROA ATOM 512 HB1 PHE P 32 50.004 11.247 -10.642 1.00 0.00 PROA ATOM 513 HB2 PHE P 32 48.428 10.495 -11.160 1.00 0.00 PROA ATOM 514 CG PHE P 32 49.835 9.166 -10.309 1.00 0.00 PROA ATOM 515 CD1 PHE P 32 49.061 8.016 -10.429 1.00 0.00 PROA ATOM 516 HD1 PHE P 32 47.987 8.101 -10.508 1.00 0.00 PROA ATOM 517 CE1 PHE P 32 49.657 6.751 -10.448 1.00 0.00 PROA ATOM 518 HE1 PHE P 32 49.045 5.866 -10.544 1.00 0.00 PROA ATOM 519 CZ PHE P 32 51.038 6.635 -10.343 1.00 0.00 PROA ATOM 520 HZ PHE P 32 51.503 5.660 -10.358 1.00 0.00 PROA ATOM 521 CD2 PHE P 32 51.215 9.033 -10.201 1.00 0.00 PROA ATOM 522 HD2 PHE P 32 51.828 9.917 -10.102 1.00 0.00 PROA ATOM 523 CE2 PHE P 32 51.818 7.779 -10.218 1.00 0.00 PROA ATOM 524 HE2 PHE P 32 52.891 7.695 -10.134 1.00 0.00 PROA ATOM 525 C PHE P 32 47.743 12.243 -9.376 1.00 0.00 PROA ATOM 526 O PHE P 32 47.058 12.279 -10.397 1.00 0.00 PROA ATOM 527 N CGU P 33 47.802 13.262 -8.531 1.00 0.00 PROA ATOM 528 HN CGU P 33 48.355 13.254 -7.701 1.00 0.00 PROA ATOM 529 CA CGU P 33 47.027 14.469 -8.807 1.00 0.00 PROA ATOM 530 HA CGU P 33 46.024 14.175 -9.077 1.00 0.00 PROA ATOM 531 CB CGU P 33 46.992 15.371 -7.571 1.00 0.00 PROA ATOM 532 HB1 CGU P 33 47.902 16.006 -7.580 1.00 0.00 PROA ATOM 533 HB2 CGU P 33 47.013 14.724 -6.669 1.00 0.00 PROA ATOM 534 CG CGU P 33 45.770 16.289 -7.471 1.00 0.00 PROA ATOM 535 HG CGU P 33 45.647 16.790 -8.453 1.00 0.00 PROA ATOM 536 CD1 CGU P 33 45.779 17.376 -6.415 1.00 0.00 PROA ATOM 537 OE12 CGU P 33 46.859 17.651 -5.850 1.00 0.00 PROA ATOM 538 OE11 CGU P 33 44.706 17.958 -6.152 1.00 0.00 PROA ATOM 539 CD2 CGU P 33 44.583 16.051 -8.398 1.00 0.00 PROA ATOM 540 OE22 CGU P 33 43.445 15.915 -7.901 1.00 0.00 PROA ATOM 541 OE21 CGU P 33 44.786 16.007 -9.630 1.00 0.00 PROA ATOM 542 C CGU P 33 47.606 15.231 -10.003 1.00 0.00 PROA ATOM 543 O CGU P 33 47.528 16.455 -10.071 1.00 0.00 PROA ATOM 544 N ASN P 34 48.181 14.485 -10.942 1.00 0.00 PROA ATOM 545 HN ASN P 34 48.229 13.493 -10.858 1.00 0.00 PROA ATOM 546 CA ASN P 34 48.780 15.037 -12.153 1.00 0.00 PROA ATOM 547 HA ASN P 34 48.376 16.026 -12.308 1.00 0.00 PROA ATOM 548 CB ASN P 34 50.298 15.098 -12.007 1.00 0.00 PROA ATOM 549 HB1 ASN P 34 50.700 14.063 -11.987 1.00 0.00 PROA ATOM 550 HB2 ASN P 34 50.548 15.605 -11.051 1.00 0.00 PROA ATOM 551 CG ASN P 34 50.969 15.850 -13.137 1.00 0.00 PROA ATOM 552 OD1 ASN P 34 51.322 17.021 -12.994 1.00 0.00 PROA ATOM 553 ND2 ASN P 34 51.146 15.184 -14.270 1.00 0.00 PROA ATOM 554 HD21 ASN P 34 51.713 15.574 -14.996 1.00 0.00 PROA ATOM 555 HD22 ASN P 34 50.713 14.292 -14.399 1.00 0.00 PROA ATOM 556 C ASN P 34 48.409 14.064 -13.269 1.00 0.00 PROA ATOM 557 O ASN P 34 48.621 12.858 -13.135 1.00 0.00 PROA ATOM 558 N THR P 35 47.866 14.583 -14.364 1.00 0.00 PROA ATOM 559 HN THR P 35 47.723 15.564 -14.472 1.00 0.00 PROA ATOM 560 CA THR P 35 47.444 13.742 -15.482 1.00 0.00 PROA ATOM 561 HA THR P 35 46.854 12.930 -15.084 1.00 0.00 PROA ATOM 562 CB THR P 35 46.616 14.554 -16.503 1.00 0.00 PROA ATOM 563 HB THR P 35 47.248 15.345 -16.959 1.00 0.00 PROA ATOM 564 OG1 THR P 35 45.506 15.169 -15.836 1.00 0.00 PROA ATOM 565 HG1 THR P 35 45.029 15.657 -16.511 1.00 0.00 PROA ATOM 566 CG2 THR P 35 46.094 13.645 -17.612 1.00 0.00 PROA ATOM 567 HG21 THR P 35 45.599 12.752 -17.173 1.00 0.00 PROA ATOM 568 HG22 THR P 35 46.937 13.305 -18.251 1.00 0.00 PROA ATOM 569 HG23 THR P 35 45.352 14.192 -18.232 1.00 0.00 PROA ATOM 570 C THR P 35 48.575 13.040 -16.232 1.00 0.00 PROA ATOM 571 O THR P 35 48.469 11.854 -16.554 1.00 0.00 PROA ATOM 572 N CGU P 36 49.651 13.767 -16.515 1.00 0.00 PROA ATOM 573 HN CGU P 36 49.738 14.723 -16.245 1.00 0.00 PROA ATOM 574 CA CGU P 36 50.776 13.191 -17.247 1.00 0.00 PROA ATOM 575 HA CGU P 36 50.405 12.785 -18.176 1.00 0.00 PROA ATOM 576 CB CGU P 36 51.834 14.267 -17.531 1.00 0.00 PROA ATOM 577 HB1 CGU P 36 52.381 14.474 -16.588 1.00 0.00 PROA ATOM 578 HB2 CGU P 36 51.311 15.192 -17.855 1.00 0.00 PROA ATOM 579 CG CGU P 36 52.863 13.891 -18.613 1.00 0.00 PROA ATOM 580 HG CGU P 36 53.769 13.517 -18.093 1.00 0.00 PROA ATOM 581 CD1 CGU P 36 52.482 12.837 -19.656 1.00 0.00 PROA ATOM 582 OE12 CGU P 36 53.174 11.799 -19.743 1.00 0.00 PROA ATOM 583 OE11 CGU P 36 51.489 13.047 -20.393 1.00 0.00 PROA ATOM 584 CD2 CGU P 36 54.196 14.631 -18.628 1.00 0.00 PROA ATOM 585 OE22 CGU P 36 55.256 13.964 -18.645 1.00 0.00 PROA ATOM 586 OE21 CGU P 36 54.179 15.882 -18.628 1.00 0.00 PROA ATOM 587 C CGU P 36 51.403 12.025 -16.487 1.00 0.00 PROA ATOM 588 O CGU P 36 51.759 11.005 -17.083 1.00 0.00 PROA ATOM 589 N ARG P 37 51.533 12.176 -15.172 1.00 0.00 PROA ATOM 590 HN ARG P 37 51.241 13.005 -14.701 1.00 0.00 PROA ATOM 591 CA ARG P 37 52.115 11.131 -14.335 1.00 0.00 PROA ATOM 592 HA ARG P 37 53.091 10.889 -14.728 1.00 0.00 PROA ATOM 593 CB ARG P 37 52.227 11.618 -12.886 1.00 0.00 PROA ATOM 594 HB1 ARG P 37 52.832 10.883 -12.315 1.00 0.00 PROA ATOM 595 HB2 ARG P 37 51.207 11.660 -12.450 1.00 0.00 PROA ATOM 596 CG ARG P 37 52.871 12.991 -12.738 1.00 0.00 PROA ATOM 597 HG1 ARG P 37 52.923 13.247 -11.658 1.00 0.00 PROA ATOM 598 HG2 ARG P 37 52.236 13.741 -13.255 1.00 0.00 PROA ATOM 599 CD ARG P 37 54.280 13.052 -13.325 1.00 0.00 PROA ATOM 600 HD1 ARG P 37 54.293 12.567 -14.324 1.00 0.00 PROA ATOM 601 HD2 ARG P 37 54.994 12.542 -12.644 1.00 0.00 PROA ATOM 602 NE ARG P 37 54.731 14.436 -13.493 1.00 0.00 PROA ATOM 603 HE ARG P 37 54.908 14.759 -14.422 1.00 0.00 PROA ATOM 604 CZ ARG P 37 54.921 15.293 -12.490 1.00 0.00 PROA ATOM 605 NH1 ARG P 37 54.708 14.912 -11.236 1.00 0.00 PROA ATOM 606 HH11 ARG P 37 54.404 13.979 -11.042 1.00 0.00 PROA ATOM 607 HH12 ARG P 37 54.852 15.558 -10.486 1.00 0.00 PROA ATOM 608 NH2 ARG P 37 55.314 16.538 -12.741 1.00 0.00 PROA ATOM 609 HH21 ARG P 37 55.468 16.833 -13.684 1.00 0.00 PROA ATOM 610 HH22 ARG P 37 55.456 17.179 -11.987 1.00 0.00 PROA ATOM 611 C ARG P 37 51.258 9.864 -14.400 1.00 0.00 PROA ATOM 612 O ARG P 37 51.773 8.747 -14.342 1.00 0.00 PROA ATOM 613 N THR P 38 49.949 10.053 -14.528 1.00 0.00 PROA ATOM 614 HN THR P 38 49.549 10.965 -14.570 1.00 0.00 PROA ATOM 615 CA THR P 38 49.011 8.940 -14.616 1.00 0.00 PROA ATOM 616 HA THR P 38 49.206 8.276 -13.787 1.00 0.00 PROA ATOM 617 CB THR P 38 47.547 9.433 -14.571 1.00 0.00 PROA ATOM 618 HB THR P 38 47.320 10.027 -15.482 1.00 0.00 PROA ATOM 619 OG1 THR P 38 47.351 10.257 -13.417 1.00 0.00 PROA ATOM 620 HG1 THR P 38 47.838 11.067 -13.584 1.00 0.00 PROA ATOM 621 CG2 THR P 38 46.590 8.251 -14.505 1.00 0.00 PROA ATOM 622 HG21 THR P 38 46.790 7.648 -13.594 1.00 0.00 PROA ATOM 623 HG22 THR P 38 46.728 7.603 -15.397 1.00 0.00 PROA ATOM 624 HG23 THR P 38 45.541 8.615 -14.466 1.00 0.00 PROA ATOM 625 C THR P 38 49.232 8.200 -15.932 1.00 0.00 PROA ATOM 626 O THR P 38 49.313 6.970 -15.954 1.00 0.00 PROA ATOM 627 N THR P 39 49.326 8.953 -17.026 1.00 0.00 PROA ATOM 628 HN THR P 39 49.253 9.947 -16.998 1.00 0.00 PROA ATOM 629 CA THR P 39 49.544 8.356 -18.338 1.00 0.00 PROA ATOM 630 HA THR P 39 48.695 7.726 -18.558 1.00 0.00 PROA ATOM 631 CB THR P 39 49.705 9.429 -19.435 1.00 0.00 PROA ATOM 632 HB THR P 39 50.680 9.947 -19.316 1.00 0.00 PROA ATOM 633 OG1 THR P 39 48.649 10.393 -19.327 1.00 0.00 PROA ATOM 634 HG1 THR P 39 49.013 11.222 -19.647 1.00 0.00 PROA ATOM 635 CG2 THR P 39 49.636 8.782 -20.813 1.00 0.00 PROA ATOM 636 HG21 THR P 39 48.657 8.275 -20.948 1.00 0.00 PROA ATOM 637 HG22 THR P 39 50.444 8.027 -20.917 1.00 0.00 PROA ATOM 638 HG23 THR P 39 49.745 9.558 -21.601 1.00 0.00 PROA ATOM 639 C THR P 39 50.803 7.499 -18.285 1.00 0.00 PROA ATOM 640 O THR P 39 50.783 6.329 -18.673 1.00 0.00 PROA ATOM 641 N CGU P 40 51.897 8.084 -17.801 1.00 0.00 PROA ATOM 642 HN CGU P 40 51.907 9.037 -17.508 1.00 0.00 PROA ATOM 643 CA CGU P 40 53.155 7.353 -17.672 1.00 0.00 PROA ATOM 644 HA CGU P 40 53.554 7.187 -18.662 1.00 0.00 PROA ATOM 645 CB CGU P 40 54.156 8.153 -16.833 1.00 0.00 PROA ATOM 646 HB1 CGU P 40 54.834 7.435 -16.326 1.00 0.00 PROA ATOM 647 HB2 CGU P 40 53.589 8.718 -16.064 1.00 0.00 PROA ATOM 648 CG CGU P 40 55.009 9.141 -17.614 1.00 0.00 PROA ATOM 649 HG CGU P 40 54.400 10.055 -17.772 1.00 0.00 PROA ATOM 650 CD1 CGU P 40 55.539 8.719 -18.975 1.00 0.00 PROA ATOM 651 OE12 CGU P 40 55.260 9.414 -19.975 1.00 0.00 PROA ATOM 652 OE11 CGU P 40 56.243 7.688 -19.040 1.00 0.00 PROA ATOM 653 CD2 CGU P 40 55.378 10.458 -16.949 1.00 0.00 PROA ATOM 654 OE22 CGU P 40 55.328 10.529 -15.705 1.00 0.00 PROA ATOM 655 OE21 CGU P 40 55.729 11.419 -17.666 1.00 0.00 PROA ATOM 656 C CGU P 40 52.867 6.028 -16.978 1.00 0.00 PROA ATOM 657 O CGU P 40 53.160 4.952 -17.504 1.00 0.00 PROA ATOM 658 N PHE P 41 52.286 6.126 -15.787 1.00 0.00 PROA ATOM 659 HN PHE P 41 52.068 7.009 -15.380 1.00 0.00 PROA ATOM 660 CA PHE P 41 51.928 4.957 -14.996 1.00 0.00 PROA ATOM 661 HA PHE P 41 52.840 4.487 -14.658 1.00 0.00 PROA ATOM 662 CB PHE P 41 51.065 5.371 -13.800 1.00 0.00 PROA ATOM 663 HB1 PHE P 41 50.278 6.076 -14.142 1.00 0.00 PROA ATOM 664 HB2 PHE P 41 51.707 5.857 -13.035 1.00 0.00 PROA ATOM 665 CG PHE P 41 50.369 4.217 -13.130 1.00 0.00 PROA ATOM 666 CD1 PHE P 41 51.094 3.263 -12.420 1.00 0.00 PROA ATOM 667 HD1 PHE P 41 52.165 3.366 -12.330 1.00 0.00 PROA ATOM 668 CE1 PHE P 41 50.453 2.174 -11.822 1.00 0.00 PROA ATOM 669 HE1 PHE P 41 51.028 1.442 -11.274 1.00 0.00 PROA ATOM 670 CZ PHE P 41 49.070 2.034 -11.934 1.00 0.00 PROA ATOM 671 HZ PHE P 41 48.571 1.193 -11.474 1.00 0.00 PROA ATOM 672 CD2 PHE P 41 48.988 4.067 -13.234 1.00 0.00 PROA ATOM 673 HD2 PHE P 41 48.413 4.799 -13.781 1.00 0.00 PROA ATOM 674 CE2 PHE P 41 48.335 2.981 -12.640 1.00 0.00 PROA ATOM 675 HE2 PHE P 41 47.264 2.878 -12.729 1.00 0.00 PROA ATOM 676 C PHE P 41 51.153 3.936 -15.818 1.00 0.00 PROA ATOM 677 O PHE P 41 51.382 2.728 -15.714 1.00 0.00 PROA ATOM 678 N TRP P 42 50.227 4.428 -16.632 1.00 0.00 PROA ATOM 679 HN TRP P 42 50.060 5.406 -16.727 1.00 0.00 PROA ATOM 680 CA TRP P 42 49.402 3.548 -17.434 1.00 0.00 PROA ATOM 681 HA TRP P 42 49.053 2.745 -16.801 1.00 0.00 PROA ATOM 682 CB TRP P 42 48.221 4.314 -18.019 1.00 0.00 PROA ATOM 683 HB1 TRP P 42 48.161 4.129 -19.113 1.00 0.00 PROA ATOM 684 HB2 TRP P 42 48.357 5.402 -17.840 1.00 0.00 PROA ATOM 685 CG TRP P 42 46.963 3.871 -17.383 1.00 0.00 PROA ATOM 686 CD1 TRP P 42 46.477 4.255 -16.164 1.00 0.00 PROA ATOM 687 HD1 TRP P 42 46.915 5.016 -15.535 1.00 0.00 PROA ATOM 688 NE1 TRP P 42 45.350 3.532 -15.855 1.00 0.00 PROA ATOM 689 HE1 TRP P 42 44.824 3.621 -15.038 1.00 0.00 PROA ATOM 690 CE2 TRP P 42 45.086 2.665 -16.883 1.00 0.00 PROA ATOM 691 CD2 TRP P 42 46.085 2.855 -17.866 1.00 0.00 PROA ATOM 692 CE3 TRP P 42 46.047 2.082 -19.032 1.00 0.00 PROA ATOM 693 HE3 TRP P 42 46.788 2.192 -19.810 1.00 0.00 PROA ATOM 694 CZ3 TRP P 42 45.027 1.155 -19.182 1.00 0.00 PROA ATOM 695 HZ3 TRP P 42 44.985 0.551 -20.076 1.00 0.00 PROA ATOM 696 CZ2 TRP P 42 44.059 1.735 -17.031 1.00 0.00 PROA ATOM 697 HZ2 TRP P 42 43.297 1.593 -16.279 1.00 0.00 PROA ATOM 698 CH2 TRP P 42 44.042 0.989 -18.183 1.00 0.00 PROA ATOM 699 HH2 TRP P 42 43.259 0.260 -18.329 1.00 0.00 PROA ATOM 700 C TRP P 42 50.123 2.782 -18.528 1.00 0.00 PROA ATOM 701 O TRP P 42 49.672 1.706 -18.930 1.00 0.00 PROA ATOM 702 N LYS P 43 51.162 3.623 -18.901 1.00 0.00 PROA ATOM 703 HN LYS P 43 51.305 4.564 -18.612 1.00 0.00 PROA ATOM 704 CA LYS P 43 52.087 2.970 -19.812 1.00 0.00 PROA ATOM 705 HA LYS P 43 51.513 2.507 -20.601 1.00 0.00 PROA ATOM 706 CB LYS P 43 53.060 3.995 -20.390 1.00 0.00 PROA ATOM 707 HB1 LYS P 43 53.872 3.449 -20.915 1.00 0.00 PROA ATOM 708 HB2 LYS P 43 53.499 4.572 -19.549 1.00 0.00 PROA ATOM 709 CG LYS P 43 52.433 4.977 -21.369 1.00 0.00 PROA ATOM 710 HG1 LYS P 43 51.598 5.512 -20.868 1.00 0.00 PROA ATOM 711 HG2 LYS P 43 52.030 4.419 -22.241 1.00 0.00 PROA ATOM 712 CD LYS P 43 53.466 5.993 -21.853 1.00 0.00 PROA ATOM 713 HD1 LYS P 43 54.295 5.454 -22.359 1.00 0.00 PROA ATOM 714 HD2 LYS P 43 53.875 6.539 -20.977 1.00 0.00 PROA ATOM 715 CE LYS P 43 52.861 6.994 -22.823 1.00 0.00 PROA ATOM 716 HE1 LYS P 43 52.019 7.529 -22.334 1.00 0.00 PROA ATOM 717 HE2 LYS P 43 52.501 6.466 -23.732 1.00 0.00 PROA ATOM 718 NZ LYS P 43 53.858 8.014 -23.255 1.00 0.00 PROA ATOM 719 HZ1 LYS P 43 54.655 7.542 -23.727 1.00 0.00 PROA ATOM 720 HZ2 LYS P 43 54.205 8.533 -22.423 1.00 0.00 PROA ATOM 721 HZ3 LYS P 43 53.409 8.680 -23.916 1.00 0.00 PROA ATOM 722 C LYS P 43 52.864 1.860 -19.085 1.00 0.00 PROA ATOM 723 O LYS P 43 52.953 0.725 -19.557 1.00 0.00 PROA ATOM 724 N GLN P 44 53.316 2.132 -17.861 1.00 0.00 PROA ATOM 725 HN GLN P 44 53.157 3.004 -17.405 1.00 0.00 PROA ATOM 726 CA GLN P 44 54.084 1.128 -17.125 1.00 0.00 PROA ATOM 727 HA GLN P 44 54.755 0.643 -17.818 1.00 0.00 PROA ATOM 728 CB GLN P 44 54.872 1.794 -15.994 1.00 0.00 PROA ATOM 729 HB1 GLN P 44 55.334 0.998 -15.373 1.00 0.00 PROA ATOM 730 HB2 GLN P 44 54.162 2.373 -15.367 1.00 0.00 PROA ATOM 731 CG GLN P 44 55.980 2.740 -16.469 1.00 0.00 PROA ATOM 732 HG1 GLN P 44 55.523 3.564 -17.057 1.00 0.00 PROA ATOM 733 HG2 GLN P 44 56.683 2.175 -17.117 1.00 0.00 PROA ATOM 734 CD GLN P 44 56.770 3.350 -15.315 1.00 0.00 PROA ATOM 735 OE1 GLN P 44 56.896 2.744 -14.242 1.00 0.00 PROA ATOM 736 NE2 GLN P 44 57.308 4.547 -15.525 1.00 0.00 PROA ATOM 737 HE21 GLN P 44 57.836 4.992 -14.801 1.00 0.00 PROA ATOM 738 HE22 GLN P 44 57.185 5.003 -16.407 1.00 0.00 PROA ATOM 739 C GLN P 44 53.225 -0.008 -16.547 1.00 0.00 PROA ATOM 740 O GLN P 44 53.735 -1.094 -16.261 1.00 0.00 PROA ATOM 741 N TYR P 45 51.933 0.252 -16.373 1.00 0.00 PROA ATOM 742 HN TYR P 45 51.547 1.130 -16.642 1.00 0.00 PROA ATOM 743 CA TYR P 45 50.982 -0.685 -15.792 1.00 0.00 PROA ATOM 744 HA TYR P 45 51.527 -1.414 -15.211 1.00 0.00 PROA ATOM 745 CB TYR P 45 50.009 0.098 -14.909 1.00 0.00 PROA ATOM 746 HB1 TYR P 45 49.523 0.876 -15.534 1.00 0.00 PROA ATOM 747 HB2 TYR P 45 50.589 0.572 -14.089 1.00 0.00 PROA ATOM 748 CG TYR P 45 48.889 -0.665 -14.243 1.00 0.00 PROA ATOM 749 CD1 TYR P 45 49.112 -1.612 -13.261 1.00 0.00 PROA ATOM 750 HD1 TYR P 45 50.119 -1.865 -12.964 1.00 0.00 PROA ATOM 751 CE1 TYR P 45 48.020 -2.237 -12.659 1.00 0.00 PROA ATOM 752 HE1 TYR P 45 48.172 -2.986 -11.896 1.00 0.00 PROA ATOM 753 CZ TYR P 45 46.730 -1.884 -13.054 1.00 0.00 PROA ATOM 754 OH TYR P 45 45.621 -2.474 -12.494 1.00 0.00 PROA ATOM 755 HH TYR P 45 45.839 -2.720 -11.592 1.00 0.00 PROA ATOM 756 CD2 TYR P 45 47.628 -0.342 -14.581 1.00 0.00 PROA ATOM 757 HD2 TYR P 45 47.463 0.415 -15.333 1.00 0.00 PROA ATOM 758 CE2 TYR P 45 46.551 -0.947 -13.998 1.00 0.00 PROA ATOM 759 HE2 TYR P 45 45.551 -0.670 -14.298 1.00 0.00 PROA ATOM 760 C TYR P 45 50.283 -1.586 -16.824 1.00 0.00 PROA ATOM 761 O TYR P 45 50.166 -2.790 -16.590 1.00 0.00 PROA ATOM 762 N VAL P 46 49.797 -1.032 -17.947 1.00 0.00 PROA ATOM 763 HN VAL P 46 49.891 -0.064 -18.168 1.00 0.00 PROA ATOM 764 CA VAL P 46 49.088 -1.880 -18.909 1.00 0.00 PROA ATOM 765 HA VAL P 46 49.022 -2.871 -18.485 1.00 0.00 PROA ATOM 766 CB VAL P 46 47.675 -1.346 -19.223 1.00 0.00 PROA ATOM 767 HB VAL P 46 47.186 -2.001 -19.975 1.00 0.00 PROA ATOM 768 CG1 VAL P 46 46.866 -1.329 -17.971 1.00 0.00 PROA ATOM 769 HG11 VAL P 46 47.242 -0.540 -17.284 1.00 0.00 PROA ATOM 770 HG12 VAL P 46 46.942 -2.312 -17.458 1.00 0.00 PROA ATOM 771 HG13 VAL P 46 45.803 -1.114 -18.211 1.00 0.00 PROA ATOM 772 CG2 VAL P 46 47.727 0.033 -19.830 1.00 0.00 PROA ATOM 773 HG21 VAL P 46 48.572 0.102 -20.548 1.00 0.00 PROA ATOM 774 HG22 VAL P 46 47.876 0.792 -19.032 1.00 0.00 PROA ATOM 775 HG23 VAL P 46 46.781 0.243 -20.373 1.00 0.00 PROA ATOM 776 C VAL P 46 49.810 -2.157 -20.235 1.00 0.00 PROA ATOM 777 O VAL P 46 49.393 -3.071 -20.961 1.00 0.00 PROA ATOM 778 N ASP P 47 50.909 -1.468 -20.582 1.00 0.00 PROA ATOM 779 HN ASP P 47 51.310 -0.726 -20.051 1.00 0.00 PROA ATOM 780 CA ASP P 47 51.541 -1.862 -21.839 1.00 0.00 PROA ATOM 781 HA ASP P 47 50.756 -2.181 -22.508 1.00 0.00 PROA ATOM 782 CB ASP P 47 52.348 -0.733 -22.492 1.00 0.00 PROA ATOM 783 HB1 ASP P 47 52.961 -1.162 -23.312 1.00 0.00 PROA ATOM 784 HB2 ASP P 47 53.020 -0.288 -21.728 1.00 0.00 PROA ATOM 785 CG ASP P 47 51.468 0.403 -23.086 1.00 0.00 PROA ATOM 786 OD1 ASP P 47 50.324 0.149 -23.406 1.00 0.00 PROA ATOM 787 OD2 ASP P 47 51.966 1.495 -23.251 1.00 0.00 PROA ATOM 788 C ASP P 47 52.407 -3.093 -21.579 1.00 0.00 PROA ATOM 789 O ASP P 47 53.604 -3.007 -21.304 1.00 0.00 PROA ATOM 790 N GLY P 48 51.750 -4.246 -21.650 1.00 0.00 PROA ATOM 791 HN GLY P 48 50.794 -4.276 -21.929 1.00 0.00 PROA ATOM 792 CA GLY P 48 52.340 -5.539 -21.338 1.00 0.00 PROA ATOM 793 HA1 GLY P 48 51.553 -6.200 -21.005 1.00 0.00 PROA ATOM 794 HA2 GLY P 48 53.067 -5.400 -20.552 1.00 0.00 PROA ATOM 795 C GLY P 48 53.018 -6.135 -22.552 1.00 0.00 PROA ATOM 796 O GLY P 48 53.280 -5.434 -23.525 1.00 0.00 PROA ATOM 797 N ASP P 49 53.258 -7.445 -22.528 1.00 0.00 PROA ATOM 798 HN ASP P 49 52.951 -8.036 -21.786 1.00 0.00 PROA ATOM 799 CA ASP P 49 53.998 -8.082 -23.614 1.00 0.00 PROA ATOM 800 HA ASP P 49 54.967 -7.611 -23.690 1.00 0.00 PROA ATOM 801 CB ASP P 49 54.146 -9.580 -23.311 1.00 0.00 PROA ATOM 802 HB1 ASP P 49 53.135 -10.038 -23.326 1.00 0.00 PROA ATOM 803 HB2 ASP P 49 54.580 -9.686 -22.295 1.00 0.00 PROA ATOM 804 CG ASP P 49 55.034 -10.374 -24.285 1.00 0.00 PROA ATOM 805 OD1 ASP P 49 55.235 -9.957 -25.399 1.00 0.00 PROA ATOM 806 OD2 ASP P 49 55.489 -11.425 -23.891 1.00 0.00 PROA ATOM 807 C ASP P 49 53.308 -7.859 -24.959 1.00 0.00 PROA ATOM 808 O ASP P 49 52.241 -8.410 -25.239 1.00 0.00 PROA ATOM 809 N GLN P 50 53.984 -7.126 -25.834 1.00 0.00 PROA ATOM 810 HN GLN P 50 54.915 -6.829 -25.639 1.00 0.00 PROA ATOM 811 CA GLN P 50 53.463 -6.693 -27.123 1.00 0.00 PROA ATOM 812 HA GLN P 50 52.426 -6.418 -26.999 1.00 0.00 PROA ATOM 813 CB GLN P 50 54.286 -5.501 -27.610 1.00 0.00 PROA ATOM 814 HB1 GLN P 50 53.891 -5.184 -28.598 1.00 0.00 PROA ATOM 815 HB2 GLN P 50 55.339 -5.830 -27.733 1.00 0.00 PROA ATOM 816 CG GLN P 50 54.265 -4.281 -26.663 1.00 0.00 PROA ATOM 817 HG1 GLN P 50 55.038 -3.563 -27.008 1.00 0.00 PROA ATOM 818 HG2 GLN P 50 54.521 -4.633 -25.642 1.00 0.00 PROA ATOM 819 CD GLN P 50 52.951 -3.532 -26.574 1.00 0.00 PROA ATOM 820 OE1 GLN P 50 52.452 -3.008 -27.580 1.00 0.00 PROA ATOM 821 NE2 GLN P 50 52.371 -3.478 -25.377 1.00 0.00 PROA ATOM 822 HE21 GLN P 50 52.720 -4.040 -24.627 1.00 0.00 PROA ATOM 823 HE22 GLN P 50 51.587 -2.876 -25.228 1.00 0.00 PROA ATOM 824 C GLN P 50 53.548 -7.815 -28.141 1.00 0.00 PROA ATOM 825 O GLN P 50 53.049 -7.703 -29.262 1.00 0.00 PROA ATOM 826 N CYS P 51 54.192 -8.903 -27.736 1.00 0.00 PROA ATOM 827 HN CYS P 51 54.585 -8.973 -26.823 1.00 0.00 PROA ATOM 828 CA CYS P 51 54.368 -10.061 -28.590 1.00 0.00 PROA ATOM 829 HA CYS P 51 54.163 -9.762 -29.607 1.00 0.00 PROA ATOM 830 CB CYS P 51 55.788 -10.599 -28.471 1.00 0.00 PROA ATOM 831 HB1 CYS P 51 55.853 -11.536 -29.063 1.00 0.00 PROA ATOM 832 HB2 CYS P 51 55.976 -10.846 -27.405 1.00 0.00 PROA ATOM 833 SG CYS P 51 57.053 -9.454 -29.041 1.00 0.00 PROA ATOM 834 HG1 CYS P 51 56.899 -8.603 -28.037 1.00 0.00 PROA ATOM 835 C CYS P 51 53.383 -11.165 -28.236 1.00 0.00 PROA ATOM 836 O CYS P 51 53.393 -12.228 -28.853 1.00 0.00 PROA ATOM 837 N GLU P 52 52.473 -10.911 -27.282 1.00 0.00 PROA ATOM 838 HN GLU P 52 52.421 -10.034 -26.810 1.00 0.00 PROA ATOM 839 CA GLU P 52 51.495 -11.930 -26.882 1.00 0.00 PROA ATOM 840 HA GLU P 52 52.039 -12.773 -26.483 1.00 0.00 PROA ATOM 841 CB GLU P 52 50.523 -11.387 -25.834 1.00 0.00 PROA ATOM 842 HB1 GLU P 52 49.949 -10.550 -26.284 1.00 0.00 PROA ATOM 843 HB2 GLU P 52 51.110 -11.000 -24.975 1.00 0.00 PROA ATOM 844 CG GLU P 52 49.528 -12.438 -25.313 1.00 0.00 PROA ATOM 845 HG1 GLU P 52 50.104 -13.298 -24.910 1.00 0.00 PROA ATOM 846 HG2 GLU P 52 48.903 -12.783 -26.164 1.00 0.00 PROA ATOM 847 CD GLU P 52 48.596 -11.940 -24.216 1.00 0.00 PROA ATOM 848 OE1 GLU P 52 48.668 -10.792 -23.856 1.00 0.00 PROA ATOM 849 OE2 GLU P 52 47.810 -12.728 -23.743 1.00 0.00 PROA ATOM 850 C GLU P 52 50.685 -12.436 -28.073 1.00 0.00 PROA ATOM 851 OT1 GLU P 52 50.933 -11.948 -29.208 1.00 0.00 PROA ATOM 852 OT2 GLU P 52 49.809 -13.316 -27.861 1.00 0.00 PROA ATOM 853 CAL CAL H 901 37.456 11.721 -10.289 1.00 0.00 HETA ATOM 854 CAL CAL H 902 36.433 8.379 -8.440 1.00 0.00 HETB ATOM 855 CAL CAL H 903 39.430 6.922 -5.953 1.00 0.00 HETC ATOM 856 CAL CAL H 904 38.162 3.379 -6.272 1.00 0.00 HETD ATOM 857 CAL CAL H 905 38.074 -0.019 -4.461 1.00 0.00 HETE ATOM 858 CAL CAL H 907 48.571 -5.091 -0.955 1.00 0.00 HETF ATOM 859 CAL CAL H 506 39.914 -4.414 -2.439 1.00 0.00 HETG ATOM 860 CAL CAL H 508 55.828 11.612 -19.705 1.00 0.00 HETH ATOM 861 O1 DPS H 451 39.319 -1.032 -1.678 1.00 0.00 HETI ATOM 862 C1 DPS H 451 39.109 -2.042 -0.962 1.00 0.00 HETI ATOM 863 O2 DPS H 451 40.009 -2.688 -0.355 1.00 0.00 HETI ATOM 864 C2 DPS H 451 37.621 -2.443 -0.857 1.00 0.00 HETI ATOM 865 H1 DPS H 451 37.180 -2.494 -1.875 1.00 0.00 HETI ATOM 866 N1 DPS H 451 37.448 -3.783 -0.214 1.00 0.00 HETI ATOM 867 H2 DPS H 451 38.303 -4.021 0.328 1.00 0.00 HETI ATOM 868 H3 DPS H 451 37.292 -4.502 -0.949 1.00 0.00 HETI ATOM 869 H4 DPS H 451 36.628 -3.757 0.426 1.00 0.00 HETI ATOM 870 C3 DPS H 451 36.685 -1.381 -0.194 1.00 0.00 HETI ATOM 871 H5 DPS H 451 36.648 -1.586 0.897 1.00 0.00 HETI ATOM 872 H6 DPS H 451 35.668 -1.500 -0.624 1.00 0.00 HETI ATOM 873 O3 DPS H 451 37.080 0.015 -0.370 1.00 0.00 HETI ATOM 874 P1 DPS H 451 37.850 1.034 0.659 1.00 0.00 HETI ATOM 875 O4 DPS H 451 38.555 0.256 1.708 1.00 0.00 HETI ATOM 876 O5 DPS H 451 38.652 1.995 -0.118 1.00 0.00 HETI ATOM 877 O6 DPS H 451 36.616 1.843 1.302 1.00 0.00 HETI ATOM 878 C4 DPS H 451 35.737 1.581 2.396 1.00 0.00 HETI ATOM 879 H7 DPS H 451 36.272 1.770 3.351 1.00 0.00 HETI ATOM 880 H8 DPS H 451 35.415 0.518 2.363 1.00 0.00 HETI ATOM 881 C5 DPS H 451 34.508 2.500 2.297 1.00 0.00 HETI ATOM 882 H9 DPS H 451 34.285 2.705 1.228 1.00 0.00 HETI ATOM 883 O7 DPS H 451 34.743 3.734 2.965 1.00 0.00 HETI ATOM 884 C6 DPS H 451 33.206 1.888 2.811 1.00 0.00 HETI ATOM 885 H10 DPS H 451 32.485 2.694 3.065 1.00 0.00 HETI ATOM 886 H11 DPS H 451 33.408 1.280 3.719 1.00 0.00 HETI ATOM 887 O8 DPS H 451 32.646 1.054 1.796 1.00 0.00 HETI ATOM 888 C7 DPS H 451 31.310 1.010 1.705 1.00 0.00 HETI ATOM 889 O9 DPS H 451 30.577 1.983 1.722 1.00 0.00 HETI ATOM 890 C8 DPS H 451 30.856 -0.487 1.512 1.00 0.00 HETI ATOM 891 H12 DPS H 451 31.191 -1.091 2.382 1.00 0.00 HETI ATOM 892 H13 DPS H 451 31.312 -0.901 0.588 1.00 0.00 HETI ATOM 893 H14 DPS H 451 29.748 -0.537 1.444 1.00 0.00 HETI ATOM 894 C9 DPS H 451 34.903 3.461 4.288 1.00 0.00 HETI ATOM 895 C10 DPS H 451 34.768 2.087 4.653 1.00 0.00 HETI ATOM 896 H15 DPS H 451 34.730 1.462 3.736 1.00 0.00 HETI ATOM 897 H16 DPS H 451 33.828 1.942 5.227 1.00 0.00 HETI ATOM 898 H17 DPS H 451 35.640 1.774 5.267 1.00 0.00 HETI ATOM 899 O10 DPS H 451 35.149 4.334 5.110 1.00 0.00 HETI ATOM 900 C1 DPE H 452 38.905 5.942 -2.559 1.00 0.00 HETJ ATOM 901 H1 DPE H 452 39.551 5.829 -1.684 1.00 0.00 HETJ ATOM 902 H2 DPE H 452 37.942 6.367 -2.262 1.00 0.00 HETJ ATOM 903 N DPE H 452 38.550 4.547 -2.868 1.00 0.00 HETJ ATOM 904 H3 DPE H 452 38.378 4.028 -1.983 1.00 0.00 HETJ ATOM 905 H4 DPE H 452 39.331 4.097 -3.387 1.00 0.00 HETJ ATOM 906 H5 DPE H 452 37.690 4.529 -3.453 1.00 0.00 HETJ ATOM 907 C2 DPE H 452 39.573 6.992 -3.442 1.00 0.00 HETJ ATOM 908 H6 DPE H 452 40.004 6.490 -4.334 1.00 0.00 HETJ ATOM 909 H7 DPE H 452 40.389 7.479 -2.867 1.00 0.00 HETJ ATOM 910 O1 DPE H 452 38.645 8.030 -3.898 1.00 0.00 HETJ ATOM 911 P DPE H 452 39.158 9.495 -4.444 1.00 0.00 HETJ ATOM 912 O2 DPE H 452 39.094 10.520 -3.385 1.00 0.00 HETJ ATOM 913 O3 DPE H 452 40.448 9.159 -5.051 1.00 0.00 HETJ ATOM 914 O4 DPE H 452 38.155 9.949 -5.630 1.00 0.00 HETJ ATOM 915 C3 DPE H 452 36.829 10.331 -5.327 1.00 0.00 HETJ ATOM 916 H8 DPE H 452 36.878 11.127 -4.555 1.00 0.00 HETJ ATOM 917 H9 DPE H 452 36.313 9.443 -4.905 1.00 0.00 HETJ ATOM 918 C4 DPE H 452 35.989 10.857 -6.501 1.00 0.00 HETJ ATOM 919 H10 DPE H 452 35.950 10.062 -7.275 1.00 0.00 HETJ ATOM 920 O5 DPE H 452 36.453 12.073 -7.151 1.00 0.00 HETJ ATOM 921 C5 DPE H 452 34.526 11.011 -6.063 1.00 0.00 HETJ ATOM 922 H11 DPE H 452 34.142 10.023 -5.730 1.00 0.00 HETJ ATOM 923 H12 DPE H 452 33.925 11.363 -6.928 1.00 0.00 HETJ ATOM 924 O6 DPE H 452 34.367 11.957 -4.976 1.00 0.00 HETJ ATOM 925 C6 DPE H 452 33.420 11.908 -4.021 1.00 0.00 HETJ ATOM 926 O7 DPE H 452 33.406 12.795 -3.172 1.00 0.00 HETJ ATOM 927 C7 DPE H 452 32.370 10.800 -3.984 1.00 0.00 HETJ ATOM 928 H13 DPE H 452 32.812 9.885 -3.535 1.00 0.00 HETJ ATOM 929 H14 DPE H 452 32.033 10.568 -5.017 1.00 0.00 HETJ ATOM 930 H15 DPE H 452 31.505 11.123 -3.366 1.00 0.00 HETJ ATOM 931 C8 DPE H 452 36.917 13.257 -6.707 1.00 0.00 HETJ ATOM 932 C9 DPE H 452 37.377 13.497 -5.272 1.00 0.00 HETJ ATOM 933 H16 DPE H 452 38.220 12.814 -5.033 1.00 0.00 HETJ ATOM 934 H17 DPE H 452 36.540 13.295 -4.571 1.00 0.00 HETJ ATOM 935 H18 DPE H 452 37.722 14.547 -5.159 1.00 0.00 HETJ ATOM 936 O8 DPE H 452 36.948 14.181 -7.518 1.00 0.00 HETJ TER 937 DPE 452 END If you find results from this site helpful for your research, please cite one of our papers:
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