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*** fx_dps_dpe ***elNémo ID: 22081301070799039Job options:ID = 22081301070799039 JOBID = fx_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 fx_dps_dpe REMARK GENERATED BY CHARMM-GUI (HTTP://WWW.CHARMM-GUI.ORG) V3.7 ON AUG, 12. 2022. JOB REMARK READ PDB, MANIPULATE STRUCTURE IF NEEDED, AND GENERATE TOPOLOGY FILE REMARK DATE: 8/12/22 18:58:13 CREATED BY USER: apache ATOM 1 N ALA P 1 73.873 35.326 24.866 1.00 0.00 PROA ATOM 2 HT1 ALA P 1 74.227 35.745 25.749 1.00 0.00 PROA ATOM 3 HT2 ALA P 1 74.568 35.478 24.107 1.00 0.00 PROA ATOM 4 HT3 ALA P 1 73.726 34.305 25.001 1.00 0.00 PROA ATOM 5 CA ALA P 1 72.583 35.968 24.494 1.00 0.00 PROA ATOM 6 HA ALA P 1 72.761 37.025 24.359 1.00 0.00 PROA ATOM 7 CB ALA P 1 72.043 35.330 23.183 1.00 0.00 PROA ATOM 8 HB1 ALA P 1 71.879 34.241 23.328 1.00 0.00 PROA ATOM 9 HB2 ALA P 1 72.779 35.472 22.363 1.00 0.00 PROA ATOM 10 HB3 ALA P 1 71.076 35.800 22.904 1.00 0.00 PROA ATOM 11 C ALA P 1 71.628 35.788 25.658 1.00 0.00 PROA ATOM 12 O ALA P 1 71.807 34.897 26.464 1.00 0.00 PROA ATOM 13 N ASN P 2 70.588 36.637 25.818 1.00 0.00 PROA ATOM 14 HN ASN P 2 70.385 37.380 25.185 1.00 0.00 PROA ATOM 15 CA ASN P 2 69.707 36.478 26.964 1.00 0.00 PROA ATOM 16 HA ASN P 2 70.149 35.740 27.616 1.00 0.00 PROA ATOM 17 CB ASN P 2 69.499 37.810 27.736 1.00 0.00 PROA ATOM 18 HB1 ASN P 2 68.739 37.677 28.535 1.00 0.00 PROA ATOM 19 HB2 ASN P 2 69.162 38.609 27.042 1.00 0.00 PROA ATOM 20 CG ASN P 2 70.845 38.196 28.358 1.00 0.00 PROA ATOM 21 OD1 ASN P 2 71.518 37.396 28.951 1.00 0.00 PROA ATOM 22 ND2 ASN P 2 71.216 39.506 28.264 1.00 0.00 PROA ATOM 23 HD21 ASN P 2 72.086 39.809 28.654 1.00 0.00 PROA ATOM 24 HD22 ASN P 2 70.618 40.163 27.805 1.00 0.00 PROA ATOM 25 C ASN P 2 68.375 35.950 26.468 1.00 0.00 PROA ATOM 26 O ASN P 2 67.758 36.534 25.574 1.00 0.00 PROA ATOM 27 N SER P 3 67.900 34.826 27.051 1.00 0.00 PROA ATOM 28 HN SER P 3 68.503 34.219 27.561 1.00 0.00 PROA ATOM 29 CA SER P 3 66.504 34.403 26.994 1.00 0.00 PROA ATOM 30 HA SER P 3 66.087 34.835 26.097 1.00 0.00 PROA ATOM 31 CB SER P 3 66.256 32.873 26.979 1.00 0.00 PROA ATOM 32 HB1 SER P 3 67.009 32.409 26.307 1.00 0.00 PROA ATOM 33 HB2 SER P 3 65.237 32.694 26.575 1.00 0.00 PROA ATOM 34 OG SER P 3 66.337 32.186 28.244 1.00 0.00 PROA ATOM 35 HG1 SER P 3 66.969 32.679 28.773 1.00 0.00 PROA ATOM 36 C SER P 3 65.711 35.130 28.071 1.00 0.00 PROA ATOM 37 O SER P 3 66.191 36.097 28.647 1.00 0.00 PROA ATOM 38 N PHE P 4 64.433 34.772 28.307 1.00 0.00 PROA ATOM 39 HN PHE P 4 64.011 33.995 27.847 1.00 0.00 PROA ATOM 40 CA PHE P 4 63.586 35.491 29.245 1.00 0.00 PROA ATOM 41 HA PHE P 4 63.615 36.541 28.995 1.00 0.00 PROA ATOM 42 CB PHE P 4 62.130 34.942 29.146 1.00 0.00 PROA ATOM 43 HB1 PHE P 4 61.433 35.617 29.687 1.00 0.00 PROA ATOM 44 HB2 PHE P 4 62.081 33.919 29.576 1.00 0.00 PROA ATOM 45 CG PHE P 4 61.682 34.865 27.707 1.00 0.00 PROA ATOM 46 CD1 PHE P 4 62.267 33.925 26.840 1.00 0.00 PROA ATOM 47 HD1 PHE P 4 63.027 33.255 27.213 1.00 0.00 PROA ATOM 48 CE1 PHE P 4 61.874 33.849 25.497 1.00 0.00 PROA ATOM 49 HE1 PHE P 4 62.319 33.113 24.844 1.00 0.00 PROA ATOM 50 CZ PHE P 4 60.903 34.729 25.003 1.00 0.00 PROA ATOM 51 HZ PHE P 4 60.602 34.675 23.967 1.00 0.00 PROA ATOM 52 CD2 PHE P 4 60.701 35.734 27.202 1.00 0.00 PROA ATOM 53 HD2 PHE P 4 60.233 36.452 27.859 1.00 0.00 PROA ATOM 54 CE2 PHE P 4 60.323 35.679 25.852 1.00 0.00 PROA ATOM 55 HE2 PHE P 4 59.586 36.369 25.468 1.00 0.00 PROA ATOM 56 C PHE P 4 64.061 35.482 30.713 1.00 0.00 PROA ATOM 57 O PHE P 4 63.936 36.481 31.395 1.00 0.00 PROA ATOM 58 N LEU P 5 64.557 34.321 31.220 1.00 0.00 PROA ATOM 59 HN LEU P 5 64.663 33.517 30.641 1.00 0.00 PROA ATOM 60 CA LEU P 5 64.973 34.132 32.614 1.00 0.00 PROA ATOM 61 HA LEU P 5 64.936 35.095 33.102 1.00 0.00 PROA ATOM 62 CB LEU P 5 64.049 33.114 33.364 1.00 0.00 PROA ATOM 63 HB1 LEU P 5 64.623 32.724 34.229 1.00 0.00 PROA ATOM 64 HB2 LEU P 5 63.840 32.281 32.662 1.00 0.00 PROA ATOM 65 CG LEU P 5 62.682 33.613 33.906 1.00 0.00 PROA ATOM 66 HG LEU P 5 62.636 33.363 34.986 1.00 0.00 PROA ATOM 67 CD1 LEU P 5 62.384 35.115 33.760 1.00 0.00 PROA ATOM 68 HD11 LEU P 5 62.219 35.369 32.691 1.00 0.00 PROA ATOM 69 HD12 LEU P 5 63.243 35.709 34.138 1.00 0.00 PROA ATOM 70 HD13 LEU P 5 61.468 35.376 34.332 1.00 0.00 PROA ATOM 71 CD2 LEU P 5 61.546 32.745 33.342 1.00 0.00 PROA ATOM 72 HD21 LEU P 5 61.689 31.686 33.645 1.00 0.00 PROA ATOM 73 HD22 LEU P 5 61.544 32.799 32.232 1.00 0.00 PROA ATOM 74 HD23 LEU P 5 60.569 33.098 33.736 1.00 0.00 PROA ATOM 75 C LEU P 5 66.379 33.545 32.688 1.00 0.00 PROA ATOM 76 O LEU P 5 66.784 32.977 33.707 1.00 0.00 PROA ATOM 77 N CGU P 6 67.242 33.460 31.748 1.00 0.00 PROA ATOM 78 HN CGU P 6 67.048 33.811 30.836 1.00 0.00 PROA ATOM 79 CA CGU P 6 68.566 32.854 31.915 1.00 0.00 PROA ATOM 80 HA CGU P 6 68.409 31.878 32.349 1.00 0.00 PROA ATOM 81 CB CGU P 6 69.411 32.689 30.638 1.00 0.00 PROA ATOM 82 HB1 CGU P 6 68.817 32.131 29.884 1.00 0.00 PROA ATOM 83 HB2 CGU P 6 70.322 32.103 30.884 1.00 0.00 PROA ATOM 84 CG CGU P 6 69.840 34.051 30.030 1.00 0.00 PROA ATOM 85 HG CGU P 6 70.505 34.604 30.727 1.00 0.00 PROA ATOM 86 CD1 CGU P 6 70.549 33.712 28.820 1.00 0.00 PROA ATOM 87 OE12 CGU P 6 71.801 33.963 28.888 1.00 0.00 PROA ATOM 88 OE11 CGU P 6 70.111 33.089 27.834 1.00 0.00 PROA ATOM 89 CD2 CGU P 6 68.604 34.811 29.788 1.00 0.00 PROA ATOM 90 OE22 CGU P 6 68.456 35.955 30.272 1.00 0.00 PROA ATOM 91 OE21 CGU P 6 67.687 34.047 29.419 1.00 0.00 PROA ATOM 92 C CGU P 6 69.500 33.622 32.803 1.00 0.00 PROA ATOM 93 O CGU P 6 70.338 32.985 33.440 1.00 0.00 PROA ATOM 94 N CGU P 7 69.419 34.977 32.821 1.00 0.00 PROA ATOM 95 HN CGU P 7 68.772 35.456 32.234 1.00 0.00 PROA ATOM 96 CA CGU P 7 70.231 35.840 33.660 1.00 0.00 PROA ATOM 97 HA CGU P 7 71.271 35.612 33.478 1.00 0.00 PROA ATOM 98 CB CGU P 7 69.946 37.335 33.324 1.00 0.00 PROA ATOM 99 HB1 CGU P 7 70.121 37.931 34.244 1.00 0.00 PROA ATOM 100 HB2 CGU P 7 68.878 37.422 33.035 1.00 0.00 PROA ATOM 101 CG CGU P 7 70.803 37.953 32.183 1.00 0.00 PROA ATOM 102 HG CGU P 7 70.679 37.340 31.265 1.00 0.00 PROA ATOM 103 CD1 CGU P 7 70.412 39.360 31.870 1.00 0.00 PROA ATOM 104 OE12 CGU P 7 69.240 39.500 31.411 1.00 0.00 PROA ATOM 105 OE11 CGU P 7 71.288 40.256 31.971 1.00 0.00 PROA ATOM 106 CD2 CGU P 7 72.273 37.744 32.348 1.00 0.00 PROA ATOM 107 OE22 CGU P 7 72.747 36.727 31.745 1.00 0.00 PROA ATOM 108 OE21 CGU P 7 72.954 38.571 32.994 1.00 0.00 PROA ATOM 109 C CGU P 7 70.087 35.616 35.170 1.00 0.00 PROA ATOM 110 O CGU P 7 70.781 36.216 35.980 1.00 0.00 PROA ATOM 111 N MET P 8 69.188 34.702 35.605 1.00 0.00 PROA ATOM 112 HN MET P 8 68.457 34.380 35.009 1.00 0.00 PROA ATOM 113 CA MET P 8 69.194 34.116 36.937 1.00 0.00 PROA ATOM 114 HA MET P 8 69.191 34.922 37.656 1.00 0.00 PROA ATOM 115 CB MET P 8 67.956 33.206 37.144 1.00 0.00 PROA ATOM 116 HB1 MET P 8 68.026 32.735 38.147 1.00 0.00 PROA ATOM 117 HB2 MET P 8 67.968 32.409 36.371 1.00 0.00 PROA ATOM 118 CG MET P 8 66.619 33.964 37.048 1.00 0.00 PROA ATOM 119 HG1 MET P 8 65.802 33.235 37.229 1.00 0.00 PROA ATOM 120 HG2 MET P 8 66.521 34.350 36.012 1.00 0.00 PROA ATOM 121 SD MET P 8 66.433 35.354 38.211 1.00 0.00 PROA ATOM 122 CE MET P 8 66.463 34.383 39.744 1.00 0.00 PROA ATOM 123 HE1 MET P 8 67.474 33.965 39.937 1.00 0.00 PROA ATOM 124 HE2 MET P 8 65.749 33.535 39.675 1.00 0.00 PROA ATOM 125 HE3 MET P 8 66.185 35.023 40.609 1.00 0.00 PROA ATOM 126 C MET P 8 70.416 33.250 37.210 1.00 0.00 PROA ATOM 127 O MET P 8 70.908 33.143 38.328 1.00 0.00 PROA ATOM 128 N LYS P 9 70.891 32.545 36.164 1.00 0.00 PROA ATOM 129 HN LYS P 9 70.446 32.587 35.273 1.00 0.00 PROA ATOM 130 CA LYS P 9 72.051 31.688 36.226 1.00 0.00 PROA ATOM 131 HA LYS P 9 71.935 31.045 37.086 1.00 0.00 PROA ATOM 132 CB LYS P 9 72.227 30.831 34.950 1.00 0.00 PROA ATOM 133 HB1 LYS P 9 73.039 30.095 35.131 1.00 0.00 PROA ATOM 134 HB2 LYS P 9 72.527 31.500 34.116 1.00 0.00 PROA ATOM 135 CG LYS P 9 70.965 30.067 34.529 1.00 0.00 PROA ATOM 136 HG1 LYS P 9 70.124 30.781 34.396 1.00 0.00 PROA ATOM 137 HG2 LYS P 9 70.692 29.334 35.318 1.00 0.00 PROA ATOM 138 CD LYS P 9 71.229 29.326 33.205 1.00 0.00 PROA ATOM 139 HD1 LYS P 9 71.622 30.062 32.473 1.00 0.00 PROA ATOM 140 HD2 LYS P 9 70.260 28.931 32.835 1.00 0.00 PROA ATOM 141 CE LYS P 9 72.216 28.161 33.279 1.00 0.00 PROA ATOM 142 HE1 LYS P 9 71.977 27.502 34.141 1.00 0.00 PROA ATOM 143 HE2 LYS P 9 73.257 28.538 33.364 1.00 0.00 PROA ATOM 144 NZ LYS P 9 72.101 27.371 32.036 1.00 0.00 PROA ATOM 145 HZ1 LYS P 9 72.485 27.919 31.240 1.00 0.00 PROA ATOM 146 HZ2 LYS P 9 71.100 27.152 31.856 1.00 0.00 PROA ATOM 147 HZ3 LYS P 9 72.636 26.485 32.137 1.00 0.00 PROA ATOM 148 C LYS P 9 73.344 32.444 36.421 1.00 0.00 PROA ATOM 149 O LYS P 9 73.499 33.606 36.071 1.00 0.00 PROA ATOM 150 N LYS P 10 74.361 31.751 36.959 1.00 0.00 PROA ATOM 151 HN LYS P 10 74.216 30.904 37.464 1.00 0.00 PROA ATOM 152 CA LYS P 10 75.733 32.193 36.839 1.00 0.00 PROA ATOM 153 HA LYS P 10 75.802 33.196 37.233 1.00 0.00 PROA ATOM 154 CB LYS P 10 76.659 31.233 37.627 1.00 0.00 PROA ATOM 155 HB1 LYS P 10 77.699 31.621 37.578 1.00 0.00 PROA ATOM 156 HB2 LYS P 10 76.625 30.232 37.147 1.00 0.00 PROA ATOM 157 CG LYS P 10 76.255 31.086 39.108 1.00 0.00 PROA ATOM 158 HG1 LYS P 10 75.206 30.726 39.160 1.00 0.00 PROA ATOM 159 HG2 LYS P 10 76.319 32.080 39.598 1.00 0.00 PROA ATOM 160 CD LYS P 10 77.159 30.098 39.866 1.00 0.00 PROA ATOM 161 HD1 LYS P 10 78.207 30.460 39.808 1.00 0.00 PROA ATOM 162 HD2 LYS P 10 77.094 29.106 39.371 1.00 0.00 PROA ATOM 163 CE LYS P 10 76.777 29.935 41.344 1.00 0.00 PROA ATOM 164 HE1 LYS P 10 75.737 29.554 41.428 1.00 0.00 PROA ATOM 165 HE2 LYS P 10 76.871 30.909 41.871 1.00 0.00 PROA ATOM 166 NZ LYS P 10 77.678 28.963 42.011 1.00 0.00 PROA ATOM 167 HZ1 LYS P 10 78.659 29.302 41.952 1.00 0.00 PROA ATOM 168 HZ2 LYS P 10 77.602 28.039 41.539 1.00 0.00 PROA ATOM 169 HZ3 LYS P 10 77.404 28.865 43.010 1.00 0.00 PROA ATOM 170 C LYS P 10 76.186 32.282 35.377 1.00 0.00 PROA ATOM 171 O LYS P 10 75.870 31.404 34.554 1.00 0.00 PROA ATOM 172 N GLY P 11 76.920 33.363 35.022 1.00 0.00 PROA ATOM 173 HN GLY P 11 77.097 34.093 35.676 1.00 0.00 PROA ATOM 174 CA GLY P 11 77.508 33.572 33.701 1.00 0.00 PROA ATOM 175 HA1 GLY P 11 78.081 34.487 33.736 1.00 0.00 PROA ATOM 176 HA2 GLY P 11 76.700 33.666 32.991 1.00 0.00 PROA ATOM 177 C GLY P 11 78.408 32.449 33.270 1.00 0.00 PROA ATOM 178 O GLY P 11 79.016 31.774 34.099 1.00 0.00 PROA ATOM 179 N HSD P 12 78.535 32.186 31.965 1.00 0.00 PROA ATOM 180 HN HSD P 12 78.058 32.696 31.253 1.00 0.00 PROA ATOM 181 CA HSD P 12 79.409 31.104 31.542 1.00 0.00 PROA ATOM 182 HA HSD P 12 80.253 31.083 32.215 1.00 0.00 PROA ATOM 183 CB HSD P 12 78.685 29.729 31.555 1.00 0.00 PROA ATOM 184 HB1 HSD P 12 77.829 29.785 30.851 1.00 0.00 PROA ATOM 185 HB2 HSD P 12 78.304 29.551 32.582 1.00 0.00 PROA ATOM 186 ND1 HSD P 12 80.613 28.208 31.938 1.00 0.00 PROA ATOM 187 HD1 HSD P 12 80.968 28.730 32.713 1.00 0.00 PROA ATOM 188 CG HSD P 12 79.520 28.530 31.164 1.00 0.00 PROA ATOM 189 CE1 HSD P 12 81.077 27.077 31.437 1.00 0.00 PROA ATOM 190 HE1 HSD P 12 81.945 26.562 31.849 1.00 0.00 PROA ATOM 191 NE2 HSD P 12 80.352 26.656 30.375 1.00 0.00 PROA ATOM 192 CD2 HSD P 12 79.348 27.585 30.204 1.00 0.00 PROA ATOM 193 HD2 HSD P 12 78.610 27.485 29.418 1.00 0.00 PROA ATOM 194 C HSD P 12 79.896 31.372 30.151 1.00 0.00 PROA ATOM 195 O HSD P 12 79.099 31.487 29.219 1.00 0.00 PROA ATOM 196 N LEU P 13 81.223 31.442 29.943 1.00 0.00 PROA ATOM 197 HN LEU P 13 81.876 31.213 30.660 1.00 0.00 PROA ATOM 198 CA LEU P 13 81.801 31.851 28.675 1.00 0.00 PROA ATOM 199 HA LEU P 13 81.445 32.845 28.448 1.00 0.00 PROA ATOM 200 CB LEU P 13 83.344 31.837 28.764 1.00 0.00 PROA ATOM 201 HB1 LEU P 13 83.682 30.782 28.832 1.00 0.00 PROA ATOM 202 HB2 LEU P 13 83.647 32.372 29.688 1.00 0.00 PROA ATOM 203 CG LEU P 13 84.050 32.500 27.562 1.00 0.00 PROA ATOM 204 HG LEU P 13 83.653 32.065 26.620 1.00 0.00 PROA ATOM 205 CD1 LEU P 13 83.821 34.020 27.552 1.00 0.00 PROA ATOM 206 HD11 LEU P 13 84.222 34.473 28.484 1.00 0.00 PROA ATOM 207 HD12 LEU P 13 82.733 34.238 27.491 1.00 0.00 PROA ATOM 208 HD13 LEU P 13 84.343 34.475 26.684 1.00 0.00 PROA ATOM 209 CD2 LEU P 13 85.549 32.171 27.571 1.00 0.00 PROA ATOM 210 HD21 LEU P 13 85.699 31.072 27.509 1.00 0.00 PROA ATOM 211 HD22 LEU P 13 86.011 32.539 28.512 1.00 0.00 PROA ATOM 212 HD23 LEU P 13 86.046 32.647 26.699 1.00 0.00 PROA ATOM 213 C LEU P 13 81.409 30.986 27.479 1.00 0.00 PROA ATOM 214 O LEU P 13 81.076 31.496 26.420 1.00 0.00 PROA ATOM 215 N CGU P 14 81.428 29.640 27.636 1.00 0.00 PROA ATOM 216 HN CGU P 14 81.702 29.213 28.494 1.00 0.00 PROA ATOM 217 CA CGU P 14 81.051 28.734 26.567 1.00 0.00 PROA ATOM 218 HA CGU P 14 81.645 28.966 25.695 1.00 0.00 PROA ATOM 219 CB CGU P 14 81.302 27.287 27.006 1.00 0.00 PROA ATOM 220 HB1 CGU P 14 80.659 27.088 27.888 1.00 0.00 PROA ATOM 221 HB2 CGU P 14 82.367 27.209 27.309 1.00 0.00 PROA ATOM 222 CG CGU P 14 81.030 26.175 25.972 1.00 0.00 PROA ATOM 223 HG CGU P 14 80.000 26.296 25.574 1.00 0.00 PROA ATOM 224 CD1 CGU P 14 81.988 26.209 24.826 1.00 0.00 PROA ATOM 225 OE12 CGU P 14 81.477 25.974 23.693 1.00 0.00 PROA ATOM 226 OE11 CGU P 14 83.211 26.351 25.080 1.00 0.00 PROA ATOM 227 CD2 CGU P 14 80.837 24.823 26.573 1.00 0.00 PROA ATOM 228 OE22 CGU P 14 80.755 23.863 25.738 1.00 0.00 PROA ATOM 229 OE21 CGU P 14 80.822 24.687 27.817 1.00 0.00 PROA ATOM 230 C CGU P 14 79.592 28.892 26.165 1.00 0.00 PROA ATOM 231 O CGU P 14 79.300 29.178 25.015 1.00 0.00 PROA ATOM 232 N ARG P 15 78.661 28.841 27.148 1.00 0.00 PROA ATOM 233 HN ARG P 15 78.932 28.734 28.101 1.00 0.00 PROA ATOM 234 CA ARG P 15 77.221 28.933 26.930 1.00 0.00 PROA ATOM 235 HA ARG P 15 76.942 28.180 26.208 1.00 0.00 PROA ATOM 236 CB ARG P 15 76.454 28.711 28.272 1.00 0.00 PROA ATOM 237 HB1 ARG P 15 76.748 29.522 28.970 1.00 0.00 PROA ATOM 238 HB2 ARG P 15 76.780 27.737 28.692 1.00 0.00 PROA ATOM 239 CG ARG P 15 74.910 28.697 28.187 1.00 0.00 PROA ATOM 240 HG1 ARG P 15 74.579 27.655 27.992 1.00 0.00 PROA ATOM 241 HG2 ARG P 15 74.600 29.339 27.336 1.00 0.00 PROA ATOM 242 CD ARG P 15 74.205 29.202 29.459 1.00 0.00 PROA ATOM 243 HD1 ARG P 15 73.152 28.850 29.491 1.00 0.00 PROA ATOM 244 HD2 ARG P 15 74.239 30.311 29.514 1.00 0.00 PROA ATOM 245 NE ARG P 15 74.939 28.637 30.638 1.00 0.00 PROA ATOM 246 HE ARG P 15 75.371 27.752 30.484 1.00 0.00 PROA ATOM 247 CZ ARG P 15 75.101 29.142 31.864 1.00 0.00 PROA ATOM 248 NH1 ARG P 15 74.823 30.407 32.165 1.00 0.00 PROA ATOM 249 HH11 ARG P 15 74.339 30.983 31.506 1.00 0.00 PROA ATOM 250 HH12 ARG P 15 75.098 30.782 33.050 1.00 0.00 PROA ATOM 251 NH2 ARG P 15 75.553 28.382 32.857 1.00 0.00 PROA ATOM 252 HH21 ARG P 15 75.776 27.422 32.690 1.00 0.00 PROA ATOM 253 HH22 ARG P 15 75.670 28.771 33.771 1.00 0.00 PROA ATOM 254 C ARG P 15 76.813 30.275 26.338 1.00 0.00 PROA ATOM 255 O ARG P 15 76.131 30.336 25.334 1.00 0.00 PROA ATOM 256 N CGU P 16 77.292 31.398 26.914 1.00 0.00 PROA ATOM 257 HN CGU P 16 77.990 31.375 27.625 1.00 0.00 PROA ATOM 258 CA CGU P 16 76.814 32.712 26.527 1.00 0.00 PROA ATOM 259 HA CGU P 16 75.789 32.621 26.199 1.00 0.00 PROA ATOM 260 CB CGU P 16 76.901 33.674 27.728 1.00 0.00 PROA ATOM 261 HB1 CGU P 16 76.648 34.703 27.396 1.00 0.00 PROA ATOM 262 HB2 CGU P 16 77.937 33.671 28.129 1.00 0.00 PROA ATOM 263 CG CGU P 16 75.921 33.237 28.835 1.00 0.00 PROA ATOM 264 HG CGU P 16 76.164 32.198 29.143 1.00 0.00 PROA ATOM 265 CD1 CGU P 16 75.988 34.117 30.040 1.00 0.00 PROA ATOM 266 OE12 CGU P 16 77.106 34.127 30.634 1.00 0.00 PROA ATOM 267 OE11 CGU P 16 74.929 34.673 30.429 1.00 0.00 PROA ATOM 268 CD2 CGU P 16 74.537 32.965 28.347 1.00 0.00 PROA ATOM 269 OE22 CGU P 16 74.013 31.884 28.771 1.00 0.00 PROA ATOM 270 OE21 CGU P 16 73.953 33.802 27.621 1.00 0.00 PROA ATOM 271 C CGU P 16 77.546 33.295 25.328 1.00 0.00 PROA ATOM 272 O CGU P 16 76.937 33.961 24.493 1.00 0.00 PROA ATOM 273 N CYS P 17 78.879 33.090 25.217 1.00 0.00 PROA ATOM 274 HN CYS P 17 79.364 32.456 25.813 1.00 0.00 PROA ATOM 275 CA CYS P 17 79.695 33.777 24.225 1.00 0.00 PROA ATOM 276 HA CYS P 17 79.056 34.476 23.705 1.00 0.00 PROA ATOM 277 CB CYS P 17 80.898 34.533 24.862 1.00 0.00 PROA ATOM 278 HB1 CYS P 17 81.501 34.962 24.035 1.00 0.00 PROA ATOM 279 HB2 CYS P 17 81.517 33.786 25.400 1.00 0.00 PROA ATOM 280 SG CYS P 17 80.483 35.872 26.021 1.00 0.00 PROA ATOM 281 C CYS P 17 80.339 32.862 23.191 1.00 0.00 PROA ATOM 282 O CYS P 17 80.918 33.350 22.237 1.00 0.00 PROA ATOM 283 N MET P 18 80.318 31.520 23.331 1.00 0.00 PROA ATOM 284 HN MET P 18 79.940 31.062 24.132 1.00 0.00 PROA ATOM 285 CA MET P 18 80.868 30.671 22.276 1.00 0.00 PROA ATOM 286 HA MET P 18 81.258 31.313 21.500 1.00 0.00 PROA ATOM 287 CB MET P 18 81.988 29.760 22.830 1.00 0.00 PROA ATOM 288 HB1 MET P 18 82.259 29.016 22.052 1.00 0.00 PROA ATOM 289 HB2 MET P 18 81.601 29.223 23.722 1.00 0.00 PROA ATOM 290 CG MET P 18 83.260 30.539 23.234 1.00 0.00 PROA ATOM 291 HG1 MET P 18 83.991 29.807 23.635 1.00 0.00 PROA ATOM 292 HG2 MET P 18 82.982 31.239 24.049 1.00 0.00 PROA ATOM 293 SD MET P 18 84.059 31.489 21.896 1.00 0.00 PROA ATOM 294 CE MET P 18 84.517 30.088 20.834 1.00 0.00 PROA ATOM 295 HE1 MET P 18 83.621 29.623 20.371 1.00 0.00 PROA ATOM 296 HE2 MET P 18 85.039 29.309 21.430 1.00 0.00 PROA ATOM 297 HE3 MET P 18 85.187 30.429 20.017 1.00 0.00 PROA ATOM 298 C MET P 18 79.806 29.817 21.609 1.00 0.00 PROA ATOM 299 O MET P 18 79.869 29.574 20.408 1.00 0.00 PROA ATOM 300 N CGU P 19 78.777 29.376 22.353 1.00 0.00 PROA ATOM 301 HN CGU P 19 78.750 29.534 23.336 1.00 0.00 PROA ATOM 302 CA CGU P 19 77.642 28.651 21.817 1.00 0.00 PROA ATOM 303 HA CGU P 19 77.960 28.118 20.933 1.00 0.00 PROA ATOM 304 CB CGU P 19 77.119 27.658 22.878 1.00 0.00 PROA ATOM 305 HB1 CGU P 19 76.094 27.341 22.592 1.00 0.00 PROA ATOM 306 HB2 CGU P 19 77.075 28.177 23.859 1.00 0.00 PROA ATOM 307 CG CGU P 19 78.002 26.400 23.025 1.00 0.00 PROA ATOM 308 HG CGU P 19 79.063 26.713 23.130 1.00 0.00 PROA ATOM 309 CD1 CGU P 19 77.632 25.574 24.213 1.00 0.00 PROA ATOM 310 OE12 CGU P 19 78.212 24.453 24.288 1.00 0.00 PROA ATOM 311 OE11 CGU P 19 76.715 25.994 24.964 1.00 0.00 PROA ATOM 312 CD2 CGU P 19 78.164 25.622 21.761 1.00 0.00 PROA ATOM 313 OE22 CGU P 19 79.176 24.848 21.725 1.00 0.00 PROA ATOM 314 OE21 CGU P 19 77.307 25.716 20.853 1.00 0.00 PROA ATOM 315 C CGU P 19 76.524 29.603 21.439 1.00 0.00 PROA ATOM 316 O CGU P 19 75.580 29.248 20.735 1.00 0.00 PROA ATOM 317 N CGU P 20 76.663 30.875 21.842 1.00 0.00 PROA ATOM 318 HN CGU P 20 77.443 31.149 22.398 1.00 0.00 PROA ATOM 319 CA CGU P 20 75.748 31.934 21.533 1.00 0.00 PROA ATOM 320 HA CGU P 20 75.178 31.638 20.665 1.00 0.00 PROA ATOM 321 CB CGU P 20 74.795 32.229 22.694 1.00 0.00 PROA ATOM 322 HB1 CGU P 20 74.049 32.976 22.350 1.00 0.00 PROA ATOM 323 HB2 CGU P 20 75.386 32.666 23.526 1.00 0.00 PROA ATOM 324 CG CGU P 20 74.039 31.006 23.231 1.00 0.00 PROA ATOM 325 HG CGU P 20 74.730 30.136 23.256 1.00 0.00 PROA ATOM 326 CD1 CGU P 20 73.500 31.223 24.607 1.00 0.00 PROA ATOM 327 OE12 CGU P 20 72.747 30.302 25.038 1.00 0.00 PROA ATOM 328 OE11 CGU P 20 73.734 32.324 25.169 1.00 0.00 PROA ATOM 329 CD2 CGU P 20 73.055 30.431 22.267 1.00 0.00 PROA ATOM 330 OE22 CGU P 20 72.600 29.281 22.576 1.00 0.00 PROA ATOM 331 OE21 CGU P 20 72.691 31.097 21.271 1.00 0.00 PROA ATOM 332 C CGU P 20 76.548 33.189 21.296 1.00 0.00 PROA ATOM 333 O CGU P 20 77.747 33.248 21.550 1.00 0.00 PROA ATOM 334 N THR P 21 75.892 34.245 20.790 1.00 0.00 PROA ATOM 335 HN THR P 21 74.944 34.170 20.491 1.00 0.00 PROA ATOM 336 CA THR P 21 76.492 35.568 20.635 1.00 0.00 PROA ATOM 337 HA THR P 21 77.553 35.427 20.495 1.00 0.00 PROA ATOM 338 CB THR P 21 75.916 36.354 19.456 1.00 0.00 PROA ATOM 339 HB THR P 21 74.828 36.518 19.608 1.00 0.00 PROA ATOM 340 OG1 THR P 21 76.109 35.626 18.254 1.00 0.00 PROA ATOM 341 HG1 THR P 21 76.096 34.699 18.501 1.00 0.00 PROA ATOM 342 CG2 THR P 21 76.624 37.701 19.248 1.00 0.00 PROA ATOM 343 HG21 THR P 21 77.725 37.554 19.228 1.00 0.00 PROA ATOM 344 HG22 THR P 21 76.374 38.392 20.081 1.00 0.00 PROA ATOM 345 HG23 THR P 21 76.308 38.149 18.282 1.00 0.00 PROA ATOM 346 C THR P 21 76.227 36.345 21.914 1.00 0.00 PROA ATOM 347 O THR P 21 75.093 36.363 22.396 1.00 0.00 PROA ATOM 348 N CYS P 22 77.230 37.006 22.523 1.00 0.00 PROA ATOM 349 HN CYS P 22 78.141 37.050 22.121 1.00 0.00 PROA ATOM 350 CA CYS P 22 77.076 37.696 23.789 1.00 0.00 PROA ATOM 351 HA CYS P 22 76.036 37.621 24.071 1.00 0.00 PROA ATOM 352 CB CYS P 22 77.970 37.114 24.927 1.00 0.00 PROA ATOM 353 HB1 CYS P 22 77.762 36.026 24.980 1.00 0.00 PROA ATOM 354 HB2 CYS P 22 77.639 37.585 25.875 1.00 0.00 PROA ATOM 355 SG CYS P 22 79.774 37.331 24.797 1.00 0.00 PROA ATOM 356 C CYS P 22 77.376 39.161 23.605 1.00 0.00 PROA ATOM 357 O CYS P 22 78.118 39.552 22.700 1.00 0.00 PROA ATOM 358 N SER P 23 76.786 40.020 24.448 1.00 0.00 PROA ATOM 359 HN SER P 23 76.064 39.719 25.065 1.00 0.00 PROA ATOM 360 CA SER P 23 77.127 41.427 24.544 1.00 0.00 PROA ATOM 361 HA SER P 23 77.405 41.760 23.555 1.00 0.00 PROA ATOM 362 CB SER P 23 75.961 42.300 25.083 1.00 0.00 PROA ATOM 363 HB1 SER P 23 75.013 41.945 24.627 1.00 0.00 PROA ATOM 364 HB2 SER P 23 76.142 43.355 24.787 1.00 0.00 PROA ATOM 365 OG SER P 23 75.795 42.271 26.514 1.00 0.00 PROA ATOM 366 HG1 SER P 23 75.323 41.458 26.709 1.00 0.00 PROA ATOM 367 C SER P 23 78.406 41.657 25.341 1.00 0.00 PROA ATOM 368 O SER P 23 78.975 40.747 25.950 1.00 0.00 PROA ATOM 369 N TYR P 24 78.907 42.913 25.359 1.00 0.00 PROA ATOM 370 HN TYR P 24 78.527 43.626 24.776 1.00 0.00 PROA ATOM 371 CA TYR P 24 80.011 43.332 26.201 1.00 0.00 PROA ATOM 372 HA TYR P 24 80.864 42.707 25.982 1.00 0.00 PROA ATOM 373 CB TYR P 24 80.335 44.829 25.910 1.00 0.00 PROA ATOM 374 HB1 TYR P 24 79.460 45.460 26.174 1.00 0.00 PROA ATOM 375 HB2 TYR P 24 80.587 44.956 24.835 1.00 0.00 PROA ATOM 376 CG TYR P 24 81.512 45.315 26.718 1.00 0.00 PROA ATOM 377 CD1 TYR P 24 81.319 46.019 27.922 1.00 0.00 PROA ATOM 378 HD1 TYR P 24 80.318 46.259 28.249 1.00 0.00 PROA ATOM 379 CE1 TYR P 24 82.418 46.411 28.699 1.00 0.00 PROA ATOM 380 HE1 TYR P 24 82.261 46.942 29.626 1.00 0.00 PROA ATOM 381 CZ TYR P 24 83.719 46.115 28.275 1.00 0.00 PROA ATOM 382 OH TYR P 24 84.820 46.500 29.071 1.00 0.00 PROA ATOM 383 HH TYR P 24 85.620 46.361 28.559 1.00 0.00 PROA ATOM 384 CD2 TYR P 24 82.819 45.011 26.313 1.00 0.00 PROA ATOM 385 HD2 TYR P 24 82.979 44.456 25.400 1.00 0.00 PROA ATOM 386 CE2 TYR P 24 83.923 45.418 27.078 1.00 0.00 PROA ATOM 387 HE2 TYR P 24 84.926 45.194 26.745 1.00 0.00 PROA ATOM 388 C TYR P 24 79.710 43.122 27.691 1.00 0.00 PROA ATOM 389 O TYR P 24 80.557 42.640 28.431 1.00 0.00 PROA ATOM 390 N CGU P 25 78.472 43.457 28.140 1.00 0.00 PROA ATOM 391 HN CGU P 25 77.787 43.859 27.538 1.00 0.00 PROA ATOM 392 CA CGU P 25 78.059 43.255 29.519 1.00 0.00 PROA ATOM 393 HA CGU P 25 78.848 43.634 30.152 1.00 0.00 PROA ATOM 394 CB CGU P 25 76.729 43.965 29.886 1.00 0.00 PROA ATOM 395 HB1 CGU P 25 75.909 43.517 29.285 1.00 0.00 PROA ATOM 396 HB2 CGU P 25 76.818 45.041 29.628 1.00 0.00 PROA ATOM 397 CG CGU P 25 76.367 43.844 31.385 1.00 0.00 PROA ATOM 398 HG CGU P 25 77.230 44.189 31.994 1.00 0.00 PROA ATOM 399 CD1 CGU P 25 75.170 44.657 31.756 1.00 0.00 PROA ATOM 400 OE12 CGU P 25 75.247 45.244 32.874 1.00 0.00 PROA ATOM 401 OE11 CGU P 25 74.163 44.604 31.005 1.00 0.00 PROA ATOM 402 CD2 CGU P 25 76.338 42.438 31.890 1.00 0.00 PROA ATOM 403 OE22 CGU P 25 76.945 42.244 32.993 1.00 0.00 PROA ATOM 404 OE21 CGU P 25 75.699 41.562 31.266 1.00 0.00 PROA ATOM 405 C CGU P 25 78.001 41.785 29.901 1.00 0.00 PROA ATOM 406 O CGU P 25 78.592 41.409 30.900 1.00 0.00 PROA ATOM 407 N CGU P 26 77.409 40.892 29.070 1.00 0.00 PROA ATOM 408 HN CGU P 26 76.958 41.181 28.229 1.00 0.00 PROA ATOM 409 CA CGU P 26 77.385 39.453 29.337 1.00 0.00 PROA ATOM 410 HA CGU P 26 76.864 39.290 30.269 1.00 0.00 PROA ATOM 411 CB CGU P 26 76.665 38.699 28.193 1.00 0.00 PROA ATOM 412 HB1 CGU P 26 76.845 37.613 28.338 1.00 0.00 PROA ATOM 413 HB2 CGU P 26 77.127 39.017 27.235 1.00 0.00 PROA ATOM 414 CG CGU P 26 75.139 38.912 28.074 1.00 0.00 PROA ATOM 415 HG CGU P 26 74.929 40.002 28.032 1.00 0.00 PROA ATOM 416 CD1 CGU P 26 74.562 38.270 26.855 1.00 0.00 PROA ATOM 417 OE12 CGU P 26 74.621 38.969 25.802 1.00 0.00 PROA ATOM 418 OE11 CGU P 26 73.976 37.166 26.988 1.00 0.00 PROA ATOM 419 CD2 CGU P 26 74.388 38.631 29.333 1.00 0.00 PROA ATOM 420 OE22 CGU P 26 73.759 39.623 29.825 1.00 0.00 PROA ATOM 421 OE21 CGU P 26 74.362 37.469 29.800 1.00 0.00 PROA ATOM 422 C CGU P 26 78.807 38.883 29.479 1.00 0.00 PROA ATOM 423 O CGU P 26 79.140 38.176 30.416 1.00 0.00 PROA ATOM 424 N ALA P 27 79.746 39.289 28.591 1.00 0.00 PROA ATOM 425 HN ALA P 27 79.509 39.826 27.785 1.00 0.00 PROA ATOM 426 CA ALA P 27 81.155 38.974 28.747 1.00 0.00 PROA ATOM 427 HA ALA P 27 81.256 37.903 28.840 1.00 0.00 PROA ATOM 428 CB ALA P 27 81.933 39.489 27.517 1.00 0.00 PROA ATOM 429 HB1 ALA P 27 81.812 40.589 27.422 1.00 0.00 PROA ATOM 430 HB2 ALA P 27 81.543 39.009 26.594 1.00 0.00 PROA ATOM 431 HB3 ALA P 27 83.014 39.259 27.630 1.00 0.00 PROA ATOM 432 C ALA P 27 81.793 39.538 30.027 1.00 0.00 PROA ATOM 433 O ALA P 27 82.564 38.865 30.706 1.00 0.00 PROA ATOM 434 N ARG P 28 81.463 40.787 30.413 1.00 0.00 PROA ATOM 435 HN ARG P 28 80.907 41.372 29.829 1.00 0.00 PROA ATOM 436 CA ARG P 28 81.867 41.390 31.673 1.00 0.00 PROA ATOM 437 HA ARG P 28 82.931 41.242 31.779 1.00 0.00 PROA ATOM 438 CB ARG P 28 81.536 42.903 31.738 1.00 0.00 PROA ATOM 439 HB1 ARG P 28 80.458 43.025 31.975 1.00 0.00 PROA ATOM 440 HB2 ARG P 28 81.740 43.359 30.746 1.00 0.00 PROA ATOM 441 CG ARG P 28 82.371 43.642 32.809 1.00 0.00 PROA ATOM 442 HG1 ARG P 28 83.413 43.732 32.437 1.00 0.00 PROA ATOM 443 HG2 ARG P 28 82.371 43.029 33.734 1.00 0.00 PROA ATOM 444 CD ARG P 28 81.865 45.046 33.163 1.00 0.00 PROA ATOM 445 HD1 ARG P 28 81.773 45.672 32.250 1.00 0.00 PROA ATOM 446 HD2 ARG P 28 82.542 45.535 33.895 1.00 0.00 PROA ATOM 447 NE ARG P 28 80.507 44.895 33.786 1.00 0.00 PROA ATOM 448 HE ARG P 28 79.714 45.069 33.205 1.00 0.00 PROA ATOM 449 CZ ARG P 28 80.272 44.545 35.060 1.00 0.00 PROA ATOM 450 NH1 ARG P 28 81.248 44.268 35.922 1.00 0.00 PROA ATOM 451 HH11 ARG P 28 82.199 44.459 35.679 1.00 0.00 PROA ATOM 452 HH12 ARG P 28 81.030 43.869 36.813 1.00 0.00 PROA ATOM 453 NH2 ARG P 28 79.018 44.420 35.472 1.00 0.00 PROA ATOM 454 HH21 ARG P 28 78.812 43.887 36.293 1.00 0.00 PROA ATOM 455 HH22 ARG P 28 78.278 44.859 34.962 1.00 0.00 PROA ATOM 456 C ARG P 28 81.310 40.691 32.910 1.00 0.00 PROA ATOM 457 O ARG P 28 82.005 40.558 33.911 1.00 0.00 PROA ATOM 458 N CGU P 29 80.057 40.204 32.877 1.00 0.00 PROA ATOM 459 HN CGU P 29 79.454 40.424 32.116 1.00 0.00 PROA ATOM 460 CA CGU P 29 79.455 39.347 33.883 1.00 0.00 PROA ATOM 461 HA CGU P 29 79.559 39.830 34.843 1.00 0.00 PROA ATOM 462 CB CGU P 29 77.960 39.104 33.578 1.00 0.00 PROA ATOM 463 HB1 CGU P 29 77.595 38.283 34.230 1.00 0.00 PROA ATOM 464 HB2 CGU P 29 77.862 38.792 32.517 1.00 0.00 PROA ATOM 465 CG CGU P 29 77.068 40.352 33.810 1.00 0.00 PROA ATOM 466 HG CGU P 29 77.659 41.265 33.585 1.00 0.00 PROA ATOM 467 CD1 CGU P 29 75.847 40.352 32.950 1.00 0.00 PROA ATOM 468 OE12 CGU P 29 75.208 41.444 32.927 1.00 0.00 PROA ATOM 469 OE11 CGU P 29 75.493 39.268 32.423 1.00 0.00 PROA ATOM 470 CD2 CGU P 29 76.808 40.652 35.250 1.00 0.00 PROA ATOM 471 OE22 CGU P 29 76.528 41.867 35.510 1.00 0.00 PROA ATOM 472 OE21 CGU P 29 76.819 39.727 36.094 1.00 0.00 PROA ATOM 473 C CGU P 29 80.169 38.007 34.053 1.00 0.00 PROA ATOM 474 O CGU P 29 80.255 37.480 35.155 1.00 0.00 PROA ATOM 475 N VAL P 30 80.711 37.416 32.963 1.00 0.00 PROA ATOM 476 HN VAL P 30 80.555 37.773 32.046 1.00 0.00 PROA ATOM 477 CA VAL P 30 81.556 36.224 33.039 1.00 0.00 PROA ATOM 478 HA VAL P 30 81.059 35.503 33.671 1.00 0.00 PROA ATOM 479 CB VAL P 30 81.797 35.630 31.644 1.00 0.00 PROA ATOM 480 HB VAL P 30 82.199 36.424 30.980 1.00 0.00 PROA ATOM 481 CG1 VAL P 30 82.794 34.448 31.670 1.00 0.00 PROA ATOM 482 HG11 VAL P 30 82.499 33.716 32.452 1.00 0.00 PROA ATOM 483 HG12 VAL P 30 83.815 34.820 31.900 1.00 0.00 PROA ATOM 484 HG13 VAL P 30 82.796 33.933 30.686 1.00 0.00 PROA ATOM 485 CG2 VAL P 30 80.456 35.145 31.069 1.00 0.00 PROA ATOM 486 HG21 VAL P 30 79.744 35.995 30.991 1.00 0.00 PROA ATOM 487 HG22 VAL P 30 80.015 34.374 31.736 1.00 0.00 PROA ATOM 488 HG23 VAL P 30 80.612 34.718 30.055 1.00 0.00 PROA ATOM 489 C VAL P 30 82.919 36.474 33.678 1.00 0.00 PROA ATOM 490 O VAL P 30 83.359 35.733 34.554 1.00 0.00 PROA ATOM 491 N PHE P 31 83.657 37.512 33.232 1.00 0.00 PROA ATOM 492 HN PHE P 31 83.303 38.179 32.581 1.00 0.00 PROA ATOM 493 CA PHE P 31 85.029 37.714 33.686 1.00 0.00 PROA ATOM 494 HA PHE P 31 85.462 36.741 33.866 1.00 0.00 PROA ATOM 495 CB PHE P 31 85.876 38.486 32.644 1.00 0.00 PROA ATOM 496 HB1 PHE P 31 86.852 38.784 33.084 1.00 0.00 PROA ATOM 497 HB2 PHE P 31 85.327 39.384 32.289 1.00 0.00 PROA ATOM 498 CG PHE P 31 86.139 37.599 31.471 1.00 0.00 PROA ATOM 499 CD1 PHE P 31 86.963 36.469 31.610 1.00 0.00 PROA ATOM 500 HD1 PHE P 31 87.417 36.251 32.565 1.00 0.00 PROA ATOM 501 CE1 PHE P 31 87.199 35.624 30.518 1.00 0.00 PROA ATOM 502 HE1 PHE P 31 87.842 34.763 30.628 1.00 0.00 PROA ATOM 503 CZ PHE P 31 86.598 35.900 29.283 1.00 0.00 PROA ATOM 504 HZ PHE P 31 86.779 35.252 28.438 1.00 0.00 PROA ATOM 505 CD2 PHE P 31 85.553 37.871 30.230 1.00 0.00 PROA ATOM 506 HD2 PHE P 31 84.934 38.748 30.110 1.00 0.00 PROA ATOM 507 CE2 PHE P 31 85.763 37.016 29.144 1.00 0.00 PROA ATOM 508 HE2 PHE P 31 85.282 37.216 28.198 1.00 0.00 PROA ATOM 509 C PHE P 31 85.163 38.490 34.975 1.00 0.00 PROA ATOM 510 O PHE P 31 86.103 38.265 35.740 1.00 0.00 PROA ATOM 511 N CGU P 32 84.280 39.492 35.152 1.00 0.00 PROA ATOM 512 HN CGU P 32 83.557 39.619 34.481 1.00 0.00 PROA ATOM 513 CA CGU P 32 84.224 40.461 36.229 1.00 0.00 PROA ATOM 514 HA CGU P 32 83.355 41.079 36.059 1.00 0.00 PROA ATOM 515 CB CGU P 32 84.132 39.849 37.636 1.00 0.00 PROA ATOM 516 HB1 CGU P 32 84.047 40.669 38.381 1.00 0.00 PROA ATOM 517 HB2 CGU P 32 85.059 39.273 37.840 1.00 0.00 PROA ATOM 518 CG CGU P 32 82.914 38.908 37.785 1.00 0.00 PROA ATOM 519 HG CGU P 32 82.938 38.154 36.970 1.00 0.00 PROA ATOM 520 CD1 CGU P 32 82.900 38.190 39.095 1.00 0.00 PROA ATOM 521 OE12 CGU P 32 82.532 36.980 39.037 1.00 0.00 PROA ATOM 522 OE11 CGU P 32 83.135 38.852 40.137 1.00 0.00 PROA ATOM 523 CD2 CGU P 32 81.613 39.539 37.414 1.00 0.00 PROA ATOM 524 OE22 CGU P 32 80.865 38.837 36.656 1.00 0.00 PROA ATOM 525 OE21 CGU P 32 81.300 40.654 37.887 1.00 0.00 PROA ATOM 526 C CGU P 32 85.280 41.546 36.089 1.00 0.00 PROA ATOM 527 O CGU P 32 84.976 42.730 35.997 1.00 0.00 PROA ATOM 528 N ASP P 33 86.549 41.095 36.017 1.00 0.00 PROA ATOM 529 HN ASP P 33 86.731 40.130 36.175 1.00 0.00 PROA ATOM 530 CA ASP P 33 87.738 41.858 35.728 1.00 0.00 PROA ATOM 531 HA ASP P 33 87.761 42.720 36.379 1.00 0.00 PROA ATOM 532 CB ASP P 33 88.974 40.951 35.968 1.00 0.00 PROA ATOM 533 HB1 ASP P 33 88.958 40.100 35.254 1.00 0.00 PROA ATOM 534 HB2 ASP P 33 88.953 40.556 37.006 1.00 0.00 PROA ATOM 535 CG ASP P 33 90.245 41.751 35.763 1.00 0.00 PROA ATOM 536 OD1 ASP P 33 90.307 42.883 36.299 1.00 0.00 PROA ATOM 537 OD2 ASP P 33 91.124 41.246 35.023 1.00 0.00 PROA ATOM 538 C ASP P 33 87.703 42.487 34.324 1.00 0.00 PROA ATOM 539 O ASP P 33 87.530 41.824 33.306 1.00 0.00 PROA ATOM 540 N SER P 34 87.868 43.821 34.273 1.00 0.00 PROA ATOM 541 HN SER P 34 88.020 44.326 35.117 1.00 0.00 PROA ATOM 542 CA SER P 34 87.854 44.667 33.091 1.00 0.00 PROA ATOM 543 HA SER P 34 86.919 44.506 32.575 1.00 0.00 PROA ATOM 544 CB SER P 34 88.001 46.156 33.483 1.00 0.00 PROA ATOM 545 HB1 SER P 34 88.105 46.777 32.568 1.00 0.00 PROA ATOM 546 HB2 SER P 34 88.899 46.289 34.124 1.00 0.00 PROA ATOM 547 OG SER P 34 86.848 46.591 34.207 1.00 0.00 PROA ATOM 548 HG1 SER P 34 86.888 46.150 35.059 1.00 0.00 PROA ATOM 549 C SER P 34 88.929 44.369 32.065 1.00 0.00 PROA ATOM 550 O SER P 34 88.637 44.338 30.870 1.00 0.00 PROA ATOM 551 N ASP P 35 90.194 44.128 32.471 1.00 0.00 PROA ATOM 552 HN ASP P 35 90.451 44.163 33.433 1.00 0.00 PROA ATOM 553 CA ASP P 35 91.267 43.802 31.541 1.00 0.00 PROA ATOM 554 HA ASP P 35 91.197 44.487 30.709 1.00 0.00 PROA ATOM 555 CB ASP P 35 92.667 43.909 32.194 1.00 0.00 PROA ATOM 556 HB1 ASP P 35 93.418 43.417 31.540 1.00 0.00 PROA ATOM 557 HB2 ASP P 35 92.654 43.400 33.181 1.00 0.00 PROA ATOM 558 CG ASP P 35 93.063 45.367 32.394 1.00 0.00 PROA ATOM 559 OD1 ASP P 35 92.398 46.261 31.802 1.00 0.00 PROA ATOM 560 OD2 ASP P 35 94.076 45.596 33.098 1.00 0.00 PROA ATOM 561 C ASP P 35 91.080 42.448 30.858 1.00 0.00 PROA ATOM 562 O ASP P 35 91.247 42.332 29.645 1.00 0.00 PROA ATOM 563 N LYS P 36 90.643 41.400 31.593 1.00 0.00 PROA ATOM 564 HN LYS P 36 90.574 41.454 32.586 1.00 0.00 PROA ATOM 565 CA LYS P 36 90.242 40.122 31.005 1.00 0.00 PROA ATOM 566 HA LYS P 36 91.084 39.734 30.451 1.00 0.00 PROA ATOM 567 CB LYS P 36 89.810 39.114 32.092 1.00 0.00 PROA ATOM 568 HB1 LYS P 36 89.324 38.245 31.600 1.00 0.00 PROA ATOM 569 HB2 LYS P 36 89.073 39.606 32.762 1.00 0.00 PROA ATOM 570 CG LYS P 36 90.980 38.610 32.935 1.00 0.00 PROA ATOM 571 HG1 LYS P 36 91.515 39.479 33.373 1.00 0.00 PROA ATOM 572 HG2 LYS P 36 91.683 38.047 32.284 1.00 0.00 PROA ATOM 573 CD LYS P 36 90.497 37.695 34.064 1.00 0.00 PROA ATOM 574 HD1 LYS P 36 90.094 36.759 33.622 1.00 0.00 PROA ATOM 575 HD2 LYS P 36 89.685 38.208 34.621 1.00 0.00 PROA ATOM 576 CE LYS P 36 91.616 37.340 35.036 1.00 0.00 PROA ATOM 577 HE1 LYS P 36 92.020 38.259 35.512 1.00 0.00 PROA ATOM 578 HE2 LYS P 36 92.427 36.795 34.509 1.00 0.00 PROA ATOM 579 NZ LYS P 36 91.077 36.463 36.097 1.00 0.00 PROA ATOM 580 HZ1 LYS P 36 90.697 35.594 35.670 1.00 0.00 PROA ATOM 581 HZ2 LYS P 36 90.318 36.960 36.605 1.00 0.00 PROA ATOM 582 HZ3 LYS P 36 91.837 36.218 36.763 1.00 0.00 PROA ATOM 583 C LYS P 36 89.080 40.246 30.024 1.00 0.00 PROA ATOM 584 O LYS P 36 89.080 39.657 28.941 1.00 0.00 PROA ATOM 585 N THR P 37 88.065 41.067 30.364 1.00 0.00 PROA ATOM 586 HN THR P 37 88.016 41.477 31.271 1.00 0.00 PROA ATOM 587 CA THR P 37 86.969 41.424 29.459 1.00 0.00 PROA ATOM 588 HA THR P 37 86.513 40.503 29.128 1.00 0.00 PROA ATOM 589 CB THR P 37 85.912 42.315 30.105 1.00 0.00 PROA ATOM 590 HB THR P 37 86.379 43.256 30.466 1.00 0.00 PROA ATOM 591 OG1 THR P 37 85.331 41.639 31.203 1.00 0.00 PROA ATOM 592 HG1 THR P 37 86.012 41.598 31.879 1.00 0.00 PROA ATOM 593 CG2 THR P 37 84.733 42.617 29.170 1.00 0.00 PROA ATOM 594 HG21 THR P 37 84.232 41.672 28.870 1.00 0.00 PROA ATOM 595 HG22 THR P 37 85.098 43.131 28.255 1.00 0.00 PROA ATOM 596 HG23 THR P 37 83.993 43.261 29.691 1.00 0.00 PROA ATOM 597 C THR P 37 87.455 42.116 28.194 1.00 0.00 PROA ATOM 598 O THR P 37 87.059 41.753 27.093 1.00 0.00 PROA ATOM 599 N ASN P 38 88.389 43.095 28.306 1.00 0.00 PROA ATOM 600 HN ASN P 38 88.682 43.423 29.200 1.00 0.00 PROA ATOM 601 CA ASN P 38 89.037 43.745 27.169 1.00 0.00 PROA ATOM 602 HA ASN P 38 88.264 44.206 26.572 1.00 0.00 PROA ATOM 603 CB ASN P 38 90.068 44.813 27.614 1.00 0.00 PROA ATOM 604 HB1 ASN P 38 90.645 45.159 26.730 1.00 0.00 PROA ATOM 605 HB2 ASN P 38 90.766 44.366 28.353 1.00 0.00 PROA ATOM 606 CG ASN P 38 89.374 46.010 28.251 1.00 0.00 PROA ATOM 607 OD1 ASN P 38 88.183 46.255 28.080 1.00 0.00 PROA ATOM 608 ND2 ASN P 38 90.178 46.814 28.990 1.00 0.00 PROA ATOM 609 HD21 ASN P 38 91.110 46.525 29.208 1.00 0.00 PROA ATOM 610 HD22 ASN P 38 89.839 47.696 29.317 1.00 0.00 PROA ATOM 611 C ASN P 38 89.830 42.774 26.312 1.00 0.00 PROA ATOM 612 O ASN P 38 89.768 42.798 25.087 1.00 0.00 PROA ATOM 613 N CGU P 39 90.601 41.871 26.950 1.00 0.00 PROA ATOM 614 HN CGU P 39 90.660 41.857 27.945 1.00 0.00 PROA ATOM 615 CA CGU P 39 91.393 40.867 26.276 1.00 0.00 PROA ATOM 616 HA CGU P 39 92.093 41.371 25.626 1.00 0.00 PROA ATOM 617 CB CGU P 39 92.163 39.986 27.290 1.00 0.00 PROA ATOM 618 HB1 CGU P 39 92.222 38.953 26.888 1.00 0.00 PROA ATOM 619 HB2 CGU P 39 91.597 39.969 28.245 1.00 0.00 PROA ATOM 620 CG CGU P 39 93.600 40.485 27.578 1.00 0.00 PROA ATOM 621 HG CGU P 39 93.558 41.554 27.876 1.00 0.00 PROA ATOM 622 CD1 CGU P 39 94.267 39.714 28.669 1.00 0.00 PROA ATOM 623 OE12 CGU P 39 94.967 40.406 29.464 1.00 0.00 PROA ATOM 624 OE11 CGU P 39 94.181 38.459 28.647 1.00 0.00 PROA ATOM 625 CD2 CGU P 39 94.434 40.669 26.354 1.00 0.00 PROA ATOM 626 OE22 CGU P 39 95.081 41.765 26.297 1.00 0.00 PROA ATOM 627 OE21 CGU P 39 94.505 39.754 25.501 1.00 0.00 PROA ATOM 628 C CGU P 39 90.553 39.944 25.413 1.00 0.00 PROA ATOM 629 O CGU P 39 90.867 39.744 24.244 1.00 0.00 PROA ATOM 630 N PHE P 40 89.455 39.398 25.964 1.00 0.00 PROA ATOM 631 HN PHE P 40 89.248 39.521 26.931 1.00 0.00 PROA ATOM 632 CA PHE P 40 88.498 38.603 25.227 1.00 0.00 PROA ATOM 633 HA PHE P 40 89.024 37.834 24.682 1.00 0.00 PROA ATOM 634 CB PHE P 40 87.527 37.988 26.277 1.00 0.00 PROA ATOM 635 HB1 PHE P 40 87.103 38.798 26.908 1.00 0.00 PROA ATOM 636 HB2 PHE P 40 88.079 37.260 26.909 1.00 0.00 PROA ATOM 637 CG PHE P 40 86.372 37.255 25.648 1.00 0.00 PROA ATOM 638 CD1 PHE P 40 86.533 35.961 25.126 1.00 0.00 PROA ATOM 639 HD1 PHE P 40 87.475 35.446 25.246 1.00 0.00 PROA ATOM 640 CE1 PHE P 40 85.475 35.335 24.449 1.00 0.00 PROA ATOM 641 HE1 PHE P 40 85.603 34.341 24.046 1.00 0.00 PROA ATOM 642 CZ PHE P 40 84.255 36.001 24.298 1.00 0.00 PROA ATOM 643 HZ PHE P 40 83.444 35.522 23.770 1.00 0.00 PROA ATOM 644 CD2 PHE P 40 85.135 37.909 25.499 1.00 0.00 PROA ATOM 645 HD2 PHE P 40 85.001 38.900 25.906 1.00 0.00 PROA ATOM 646 CE2 PHE P 40 84.077 37.285 24.827 1.00 0.00 PROA ATOM 647 HE2 PHE P 40 83.129 37.791 24.717 1.00 0.00 PROA ATOM 648 C PHE P 40 87.772 39.405 24.136 1.00 0.00 PROA ATOM 649 O PHE P 40 87.779 39.008 22.976 1.00 0.00 PROA ATOM 650 N TRP P 41 87.135 40.580 24.577 1.00 0.00 PROA ATOM 651 HN TRP P 41 87.205 40.966 25.493 1.00 0.00 PROA ATOM 652 CA TRP P 41 86.326 41.245 23.589 1.00 0.00 PROA ATOM 653 HA TRP P 41 85.540 40.569 23.285 1.00 0.00 PROA ATOM 654 CB TRP P 41 85.736 42.519 24.175 1.00 0.00 PROA ATOM 655 HB1 TRP P 41 86.537 43.284 24.255 1.00 0.00 PROA ATOM 656 HB2 TRP P 41 85.339 42.300 25.189 1.00 0.00 PROA ATOM 657 CG TRP P 41 84.658 43.063 23.365 1.00 0.00 PROA ATOM 658 CD1 TRP P 41 84.603 44.229 22.672 1.00 0.00 PROA ATOM 659 HD1 TRP P 41 85.401 44.955 22.613 1.00 0.00 PROA ATOM 660 NE1 TRP P 41 83.378 44.347 22.056 1.00 0.00 PROA ATOM 661 HE1 TRP P 41 83.088 45.098 21.505 1.00 0.00 PROA ATOM 662 CE2 TRP P 41 82.629 43.227 22.347 1.00 0.00 PROA ATOM 663 CD2 TRP P 41 83.392 42.402 23.161 1.00 0.00 PROA ATOM 664 CE3 TRP P 41 82.854 41.177 23.608 1.00 0.00 PROA ATOM 665 HE3 TRP P 41 83.414 40.512 24.248 1.00 0.00 PROA ATOM 666 CZ3 TRP P 41 81.583 40.831 23.213 1.00 0.00 PROA ATOM 667 HZ3 TRP P 41 81.155 39.896 23.544 1.00 0.00 PROA ATOM 668 CZ2 TRP P 41 81.354 42.879 21.955 1.00 0.00 PROA ATOM 669 HZ2 TRP P 41 80.750 43.514 21.324 1.00 0.00 PROA ATOM 670 CH2 TRP P 41 80.857 41.661 22.405 1.00 0.00 PROA ATOM 671 HH2 TRP P 41 79.864 41.360 22.106 1.00 0.00 PROA ATOM 672 C TRP P 41 87.154 41.555 22.355 1.00 0.00 PROA ATOM 673 O TRP P 41 86.707 41.327 21.229 1.00 0.00 PROA ATOM 674 N ASN P 42 88.382 42.052 22.549 1.00 0.00 PROA ATOM 675 HN ASN P 42 88.761 42.223 23.455 1.00 0.00 PROA ATOM 676 CA ASN P 42 89.230 42.369 21.411 1.00 0.00 PROA ATOM 677 HA ASN P 42 88.692 43.055 20.774 1.00 0.00 PROA ATOM 678 CB ASN P 42 90.533 42.990 21.869 1.00 0.00 PROA ATOM 679 HB1 ASN P 42 91.246 43.001 21.017 1.00 0.00 PROA ATOM 680 HB2 ASN P 42 90.956 42.375 22.691 1.00 0.00 PROA ATOM 681 CG ASN P 42 90.364 44.398 22.366 1.00 0.00 PROA ATOM 682 OD1 ASN P 42 89.377 45.078 22.054 1.00 0.00 PROA ATOM 683 ND2 ASN P 42 91.314 44.858 23.140 1.00 0.00 PROA ATOM 684 HD21 ASN P 42 91.257 45.788 23.502 1.00 0.00 PROA ATOM 685 HD22 ASN P 42 92.096 44.279 23.369 1.00 0.00 PROA ATOM 686 C ASN P 42 89.519 41.128 20.579 1.00 0.00 PROA ATOM 687 O ASN P 42 89.525 41.192 19.354 1.00 0.00 PROA ATOM 688 N LYS P 43 89.725 39.981 21.229 1.00 0.00 PROA ATOM 689 HN LYS P 43 89.715 39.916 22.224 1.00 0.00 PROA ATOM 690 CA LYS P 43 89.979 38.746 20.494 1.00 0.00 PROA ATOM 691 HA LYS P 43 90.631 38.969 19.663 1.00 0.00 PROA ATOM 692 CB LYS P 43 90.632 37.737 21.442 1.00 0.00 PROA ATOM 693 HB1 LYS P 43 90.642 36.739 20.954 1.00 0.00 PROA ATOM 694 HB2 LYS P 43 90.030 37.676 22.373 1.00 0.00 PROA ATOM 695 CG LYS P 43 92.068 38.127 21.804 1.00 0.00 PROA ATOM 696 HG1 LYS P 43 92.057 39.161 22.208 1.00 0.00 PROA ATOM 697 HG2 LYS P 43 92.678 38.109 20.877 1.00 0.00 PROA ATOM 698 CD LYS P 43 92.728 37.224 22.826 1.00 0.00 PROA ATOM 699 HD1 LYS P 43 92.681 36.170 22.479 1.00 0.00 PROA ATOM 700 HD2 LYS P 43 92.195 37.306 23.798 1.00 0.00 PROA ATOM 701 CE LYS P 43 94.195 37.647 23.002 1.00 0.00 PROA ATOM 702 HE1 LYS P 43 94.236 38.720 23.285 1.00 0.00 PROA ATOM 703 HE2 LYS P 43 94.742 37.482 22.049 1.00 0.00 PROA ATOM 704 NZ LYS P 43 94.911 36.880 24.063 1.00 0.00 PROA ATOM 705 HZ1 LYS P 43 94.507 35.924 24.133 1.00 0.00 PROA ATOM 706 HZ2 LYS P 43 94.806 37.369 24.975 1.00 0.00 PROA ATOM 707 HZ3 LYS P 43 95.920 36.813 23.821 1.00 0.00 PROA ATOM 708 C LYS P 43 88.707 38.191 19.841 1.00 0.00 PROA ATOM 709 O LYS P 43 88.701 37.807 18.672 1.00 0.00 PROA ATOM 710 N TYR P 44 87.608 38.231 20.577 1.00 0.00 PROA ATOM 711 HN TYR P 44 87.626 38.627 21.491 1.00 0.00 PROA ATOM 712 CA TYR P 44 86.305 37.727 20.163 1.00 0.00 PROA ATOM 713 HA TYR P 44 86.410 36.688 19.888 1.00 0.00 PROA ATOM 714 CB TYR P 44 85.321 37.884 21.332 1.00 0.00 PROA ATOM 715 HB1 TYR P 44 85.247 38.963 21.584 1.00 0.00 PROA ATOM 716 HB2 TYR P 44 85.716 37.315 22.200 1.00 0.00 PROA ATOM 717 CG TYR P 44 83.900 37.400 21.118 1.00 0.00 PROA ATOM 718 CD1 TYR P 44 83.667 36.056 21.055 1.00 0.00 PROA ATOM 719 HD1 TYR P 44 84.496 35.367 21.122 1.00 0.00 PROA ATOM 720 CE1 TYR P 44 82.399 35.573 20.909 1.00 0.00 PROA ATOM 721 HE1 TYR P 44 82.241 34.507 20.835 1.00 0.00 PROA ATOM 722 CZ TYR P 44 81.320 36.423 20.855 1.00 0.00 PROA ATOM 723 OH TYR P 44 80.052 35.877 20.730 1.00 0.00 PROA ATOM 724 HH TYR P 44 80.124 34.928 20.857 1.00 0.00 PROA ATOM 725 CD2 TYR P 44 82.826 38.288 21.068 1.00 0.00 PROA ATOM 726 HD2 TYR P 44 82.999 39.352 21.132 1.00 0.00 PROA ATOM 727 CE2 TYR P 44 81.521 37.795 20.935 1.00 0.00 PROA ATOM 728 HE2 TYR P 44 80.682 38.474 20.895 1.00 0.00 PROA ATOM 729 C TYR P 44 85.832 38.410 18.888 1.00 0.00 PROA ATOM 730 O TYR P 44 85.360 37.763 17.954 1.00 0.00 PROA ATOM 731 N LYS P 45 85.969 39.727 18.853 1.00 0.00 PROA ATOM 732 HN LYS P 45 86.396 40.227 19.603 1.00 0.00 PROA ATOM 733 CA LYS P 45 85.517 40.538 17.739 1.00 0.00 PROA ATOM 734 HA LYS P 45 84.717 40.014 17.236 1.00 0.00 PROA ATOM 735 CB LYS P 45 85.030 41.887 18.272 1.00 0.00 PROA ATOM 736 HB1 LYS P 45 84.698 42.504 17.411 1.00 0.00 PROA ATOM 737 HB2 LYS P 45 85.882 42.394 18.771 1.00 0.00 PROA ATOM 738 CG LYS P 45 83.868 41.789 19.276 1.00 0.00 PROA ATOM 739 HG1 LYS P 45 83.638 42.808 19.654 1.00 0.00 PROA ATOM 740 HG2 LYS P 45 84.188 41.153 20.128 1.00 0.00 PROA ATOM 741 CD LYS P 45 82.595 41.193 18.673 1.00 0.00 PROA ATOM 742 HD1 LYS P 45 81.907 40.902 19.495 1.00 0.00 PROA ATOM 743 HD2 LYS P 45 82.861 40.287 18.089 1.00 0.00 PROA ATOM 744 CE LYS P 45 81.886 42.183 17.759 1.00 0.00 PROA ATOM 745 HE1 LYS P 45 82.527 42.407 16.880 1.00 0.00 PROA ATOM 746 HE2 LYS P 45 81.665 43.117 18.318 1.00 0.00 PROA ATOM 747 NZ LYS P 45 80.588 41.639 17.250 1.00 0.00 PROA ATOM 748 HZ1 LYS P 45 79.961 41.429 18.053 1.00 0.00 PROA ATOM 749 HZ2 LYS P 45 80.765 40.767 16.711 1.00 0.00 PROA ATOM 750 HZ3 LYS P 45 80.136 42.342 16.631 1.00 0.00 PROA ATOM 751 C LYS P 45 86.607 40.757 16.668 1.00 0.00 PROA ATOM 752 O LYS P 45 86.421 41.567 15.749 1.00 0.00 PROA ATOM 753 N ASP P 46 87.744 40.044 16.756 1.00 0.00 PROA ATOM 754 HN ASP P 46 87.880 39.343 17.452 1.00 0.00 PROA ATOM 755 CA ASP P 46 88.860 40.260 15.824 1.00 0.00 PROA ATOM 756 HA ASP P 46 88.967 41.324 15.676 1.00 0.00 PROA ATOM 757 CB ASP P 46 90.170 39.666 16.375 1.00 0.00 PROA ATOM 758 HB1 ASP P 46 90.080 38.559 16.376 1.00 0.00 PROA ATOM 759 HB2 ASP P 46 90.305 40.023 17.418 1.00 0.00 PROA ATOM 760 CG ASP P 46 91.456 40.044 15.565 1.00 0.00 PROA ATOM 761 OD1 ASP P 46 91.439 41.032 14.851 1.00 0.00 PROA ATOM 762 OD2 ASP P 46 92.449 39.340 15.692 1.00 0.00 PROA ATOM 763 C ASP P 46 88.606 39.642 14.454 1.00 0.00 PROA ATOM 764 O ASP P 46 89.172 38.605 14.103 1.00 0.00 PROA ATOM 765 N GLY P 47 87.751 40.298 13.681 1.00 0.00 PROA ATOM 766 HN GLY P 47 87.300 41.135 13.980 1.00 0.00 PROA ATOM 767 CA GLY P 47 87.418 39.833 12.344 1.00 0.00 PROA ATOM 768 HA1 GLY P 47 86.468 40.259 12.057 1.00 0.00 PROA ATOM 769 HA2 GLY P 47 87.354 38.755 12.360 1.00 0.00 PROA ATOM 770 C GLY P 47 88.498 40.271 11.358 1.00 0.00 PROA ATOM 771 O GLY P 47 89.518 40.843 11.743 1.00 0.00 PROA ATOM 772 N ASP P 48 88.264 40.053 10.072 1.00 0.00 PROA ATOM 773 HN ASP P 48 87.411 39.659 9.737 1.00 0.00 PROA ATOM 774 CA ASP P 48 89.272 40.390 9.070 1.00 0.00 PROA ATOM 775 HA ASP P 48 90.245 40.177 9.487 1.00 0.00 PROA ATOM 776 CB ASP P 48 89.046 39.571 7.796 1.00 0.00 PROA ATOM 777 HB1 ASP P 48 88.054 39.844 7.377 1.00 0.00 PROA ATOM 778 HB2 ASP P 48 89.044 38.495 8.069 1.00 0.00 PROA ATOM 779 CG ASP P 48 90.092 39.773 6.694 1.00 0.00 PROA ATOM 780 OD1 ASP P 48 90.846 40.727 6.739 1.00 0.00 PROA ATOM 781 OD2 ASP P 48 90.121 38.961 5.799 1.00 0.00 PROA ATOM 782 C ASP P 48 89.276 41.884 8.776 1.00 0.00 PROA ATOM 783 O ASP P 48 88.381 42.413 8.123 1.00 0.00 PROA ATOM 784 N GLN P 49 90.338 42.554 9.202 1.00 0.00 PROA ATOM 785 HN GLN P 49 91.127 42.093 9.600 1.00 0.00 PROA ATOM 786 CA GLN P 49 90.426 44.006 9.118 1.00 0.00 PROA ATOM 787 HA GLN P 49 89.456 44.420 9.352 1.00 0.00 PROA ATOM 788 CB GLN P 49 91.473 44.508 10.101 1.00 0.00 PROA ATOM 789 HB1 GLN P 49 91.512 45.616 10.043 1.00 0.00 PROA ATOM 790 HB2 GLN P 49 92.462 44.097 9.807 1.00 0.00 PROA ATOM 791 CG GLN P 49 91.189 44.109 11.529 1.00 0.00 PROA ATOM 792 HG1 GLN P 49 91.999 44.506 12.176 1.00 0.00 PROA ATOM 793 HG2 GLN P 49 91.181 43.000 11.593 1.00 0.00 PROA ATOM 794 CD GLN P 49 89.886 44.615 12.051 1.00 0.00 PROA ATOM 795 OE1 GLN P 49 89.602 45.818 12.038 1.00 0.00 PROA ATOM 796 NE2 GLN P 49 89.056 43.690 12.514 1.00 0.00 PROA ATOM 797 HE21 GLN P 49 89.322 42.726 12.497 1.00 0.00 PROA ATOM 798 HE22 GLN P 49 88.164 43.956 12.880 1.00 0.00 PROA ATOM 799 C GLN P 49 90.793 44.464 7.715 1.00 0.00 PROA ATOM 800 O GLN P 49 90.840 45.665 7.433 1.00 0.00 PROA ATOM 801 N CYS P 50 91.041 43.502 6.832 1.00 0.00 PROA ATOM 802 HN CYS P 50 91.016 42.538 7.085 1.00 0.00 PROA ATOM 803 CA CYS P 50 91.362 43.781 5.451 1.00 0.00 PROA ATOM 804 HA CYS P 50 91.590 44.833 5.365 1.00 0.00 PROA ATOM 805 CB CYS P 50 92.555 42.940 5.003 1.00 0.00 PROA ATOM 806 HB1 CYS P 50 92.706 43.106 3.916 1.00 0.00 PROA ATOM 807 HB2 CYS P 50 92.302 41.871 5.161 1.00 0.00 PROA ATOM 808 SG CYS P 50 94.089 43.318 5.875 1.00 0.00 PROA ATOM 809 HG1 CYS P 50 93.694 42.805 7.031 1.00 0.00 PROA ATOM 810 C CYS P 50 90.171 43.501 4.546 1.00 0.00 PROA ATOM 811 O CYS P 50 90.257 43.670 3.323 1.00 0.00 PROA ATOM 812 N GLU P 51 89.022 43.133 5.135 1.00 0.00 PROA ATOM 813 HN GLU P 51 88.945 43.059 6.126 1.00 0.00 PROA ATOM 814 CA GLU P 51 87.804 42.814 4.380 1.00 0.00 PROA ATOM 815 HA GLU P 51 88.017 41.964 3.749 1.00 0.00 PROA ATOM 816 CB GLU P 51 86.641 42.495 5.321 1.00 0.00 PROA ATOM 817 HB1 GLU P 51 86.429 43.395 5.936 1.00 0.00 PROA ATOM 818 HB2 GLU P 51 86.948 41.665 5.992 1.00 0.00 PROA ATOM 819 CG GLU P 51 85.351 42.084 4.598 1.00 0.00 PROA ATOM 820 HG1 GLU P 51 85.577 41.222 3.935 1.00 0.00 PROA ATOM 821 HG2 GLU P 51 85.005 42.939 3.980 1.00 0.00 PROA ATOM 822 CD GLU P 51 84.213 41.681 5.528 1.00 0.00 PROA ATOM 823 OE1 GLU P 51 84.383 41.730 6.721 1.00 0.00 PROA ATOM 824 OE2 GLU P 51 83.172 41.323 5.027 1.00 0.00 PROA ATOM 825 C GLU P 51 87.371 43.947 3.463 1.00 0.00 PROA ATOM 826 O GLU P 51 86.849 43.718 2.372 1.00 0.00 PROA ATOM 827 N THR P 52 87.591 45.171 3.918 1.00 0.00 PROA ATOM 828 HN THR P 52 88.047 45.328 4.790 1.00 0.00 PROA ATOM 829 CA THR P 52 87.194 46.362 3.199 1.00 0.00 PROA ATOM 830 HA THR P 52 86.355 46.111 2.567 1.00 0.00 PROA ATOM 831 CB THR P 52 86.806 47.471 4.194 1.00 0.00 PROA ATOM 832 HB THR P 52 86.487 48.380 3.641 1.00 0.00 PROA ATOM 833 OG1 THR P 52 87.936 47.800 5.020 1.00 0.00 PROA ATOM 834 HG1 THR P 52 88.563 48.246 4.446 1.00 0.00 PROA ATOM 835 CG2 THR P 52 85.670 46.978 5.081 1.00 0.00 PROA ATOM 836 HG21 THR P 52 86.040 46.193 5.775 1.00 0.00 PROA ATOM 837 HG22 THR P 52 84.862 46.545 4.454 1.00 0.00 PROA ATOM 838 HG23 THR P 52 85.266 47.821 5.682 1.00 0.00 PROA ATOM 839 C THR P 52 88.285 46.861 2.248 1.00 0.00 PROA ATOM 840 O THR P 52 88.136 47.921 1.644 1.00 0.00 PROA ATOM 841 NT THR P 52 89.390 46.076 2.127 1.00 0.00 PROA ATOM 842 HT1 THR P 52 89.457 45.223 2.645 1.00 0.00 PROA ATOM 843 HT2 THR P 52 90.135 46.352 1.520 1.00 0.00 PROA ATOM 844 CAL CAL H 503 75.514 43.408 34.188 1.00 0.00 HETA ATOM 845 CAL CAL H 504 73.409 40.571 32.240 1.00 0.00 HETB ATOM 846 CAL CAL H 505 74.894 36.651 32.164 1.00 0.00 HETC ATOM 847 CAL CAL H 506 73.243 35.688 29.118 1.00 0.00 HETD ATOM 848 CAL CAL H 507 72.101 32.563 27.092 1.00 0.00 HETE ATOM 849 CAL CAL H 508 71.846 28.433 24.378 1.00 0.00 HETF ATOM 850 CAL CAL H 509 80.318 24.116 23.503 1.00 0.00 HETG ATOM 851 O1 DPS H 451 71.887 29.650 27.148 1.00 0.00 HETH ATOM 852 C1 DPS H 451 71.267 28.693 26.621 1.00 0.00 HETH ATOM 853 O2 DPS H 451 71.790 27.584 26.318 1.00 0.00 HETH ATOM 854 C2 DPS H 451 69.767 28.969 26.380 1.00 0.00 HETH ATOM 855 H1 DPS H 451 69.650 29.943 25.858 1.00 0.00 HETH ATOM 856 N1 DPS H 451 69.135 27.913 25.529 1.00 0.00 HETH ATOM 857 H2 DPS H 451 69.720 27.053 25.551 1.00 0.00 HETH ATOM 858 H3 DPS H 451 69.059 28.256 24.550 1.00 0.00 HETH ATOM 859 H4 DPS H 451 68.186 27.696 25.894 1.00 0.00 HETH ATOM 860 C3 DPS H 451 68.917 29.231 27.666 1.00 0.00 HETH ATOM 861 H5 DPS H 451 68.513 28.258 28.018 1.00 0.00 HETH ATOM 862 H6 DPS H 451 68.074 29.900 27.393 1.00 0.00 HETH ATOM 863 O3 DPS H 451 69.628 29.847 28.784 1.00 0.00 HETH ATOM 864 P1 DPS H 451 70.249 29.173 30.144 1.00 0.00 HETH ATOM 865 O4 DPS H 451 70.430 27.712 29.946 1.00 0.00 HETH ATOM 866 O5 DPS H 451 71.428 29.944 30.574 1.00 0.00 HETH ATOM 867 O6 DPS H 451 69.075 29.448 31.210 1.00 0.00 HETH ATOM 868 C4 DPS H 451 67.875 28.751 31.547 1.00 0.00 HETH ATOM 869 H7 DPS H 451 68.127 27.857 32.156 1.00 0.00 HETH ATOM 870 H8 DPS H 451 67.364 28.425 30.616 1.00 0.00 HETH ATOM 871 C5 DPS H 451 66.951 29.683 32.349 1.00 0.00 HETH ATOM 872 H9 DPS H 451 67.106 30.732 32.018 1.00 0.00 HETH ATOM 873 O7 DPS H 451 67.225 29.593 33.742 1.00 0.00 HETH ATOM 874 C6 DPS H 451 65.457 29.463 32.115 1.00 0.00 HETH ATOM 875 H10 DPS H 451 64.877 29.871 32.970 1.00 0.00 HETH ATOM 876 H11 DPS H 451 65.247 28.377 32.017 1.00 0.00 HETH ATOM 877 O8 DPS H 451 65.066 30.132 30.915 1.00 0.00 HETH ATOM 878 C7 DPS H 451 63.840 30.671 30.884 1.00 0.00 HETH ATOM 879 O9 DPS H 451 63.354 31.351 31.771 1.00 0.00 HETH ATOM 880 C8 DPS H 451 63.164 30.335 29.501 1.00 0.00 HETH ATOM 881 H12 DPS H 451 62.926 29.251 29.458 1.00 0.00 HETH ATOM 882 H13 DPS H 451 63.861 30.583 28.672 1.00 0.00 HETH ATOM 883 H14 DPS H 451 62.223 30.915 29.392 1.00 0.00 HETH ATOM 884 C9 DPS H 451 66.922 28.328 34.140 1.00 0.00 HETH ATOM 885 C10 DPS H 451 66.402 27.471 33.122 1.00 0.00 HETH ATOM 886 H15 DPS H 451 66.511 27.963 32.132 1.00 0.00 HETH ATOM 887 H16 DPS H 451 65.325 27.276 33.310 1.00 0.00 HETH ATOM 888 H17 DPS H 451 66.966 26.514 33.113 1.00 0.00 HETH ATOM 889 O10 DPS H 451 67.086 27.949 35.292 1.00 0.00 HETH ATOM 890 C1 DPE H 452 73.019 33.312 32.887 1.00 0.00 HETI ATOM 891 H1 DPE H 452 73.336 32.309 33.188 1.00 0.00 HETI ATOM 892 H2 DPE H 452 72.121 33.604 33.440 1.00 0.00 HETI ATOM 893 N DPE H 452 72.491 33.080 31.532 1.00 0.00 HETI ATOM 894 H3 DPE H 452 71.959 32.187 31.515 1.00 0.00 HETI ATOM 895 H4 DPE H 452 73.280 33.026 30.857 1.00 0.00 HETI ATOM 896 H5 DPE H 452 71.861 33.864 31.266 1.00 0.00 HETI ATOM 897 C2 DPE H 452 74.123 34.258 33.349 1.00 0.00 HETI ATOM 898 H6 DPE H 452 74.687 34.614 32.460 1.00 0.00 HETI ATOM 899 H7 DPE H 452 74.813 33.704 34.021 1.00 0.00 HETI ATOM 900 O1 DPE H 452 73.612 35.426 34.071 1.00 0.00 HETI ATOM 901 P DPE H 452 74.556 36.335 35.065 1.00 0.00 HETI ATOM 902 O2 DPE H 452 74.393 35.939 36.477 1.00 0.00 HETI ATOM 903 O3 DPE H 452 75.869 36.218 34.427 1.00 0.00 HETI ATOM 904 O4 DPE H 452 74.072 37.872 34.925 1.00 0.00 HETI ATOM 905 C3 DPE H 452 72.826 38.271 35.456 1.00 0.00 HETI ATOM 906 H8 DPE H 452 72.805 37.970 36.524 1.00 0.00 HETI ATOM 907 H9 DPE H 452 72.035 37.720 34.905 1.00 0.00 HETI ATOM 908 C4 DPE H 452 72.503 39.772 35.378 1.00 0.00 HETI ATOM 909 H10 DPE H 452 72.533 40.072 34.310 1.00 0.00 HETI ATOM 910 O5 DPE H 452 73.382 40.674 36.107 1.00 0.00 HETI ATOM 911 C5 DPE H 452 71.042 40.010 35.783 1.00 0.00 HETI ATOM 912 H11 DPE H 452 70.380 39.441 35.096 1.00 0.00 HETI ATOM 913 H12 DPE H 452 70.815 41.094 35.695 1.00 0.00 HETI ATOM 914 O6 DPE H 452 70.765 39.591 37.142 1.00 0.00 HETI ATOM 915 C6 DPE H 452 69.587 39.127 37.600 1.00 0.00 HETI ATOM 916 O7 DPE H 452 69.504 38.827 38.787 1.00 0.00 HETI ATOM 917 C7 DPE H 452 68.368 38.990 36.692 1.00 0.00 HETI ATOM 918 H13 DPE H 452 68.536 38.164 35.968 1.00 0.00 HETI ATOM 919 H14 DPE H 452 68.210 39.935 36.130 1.00 0.00 HETI ATOM 920 H15 DPE H 452 67.470 38.757 37.302 1.00 0.00 HETI ATOM 921 C8 DPE H 452 73.928 40.662 37.339 1.00 0.00 HETI ATOM 922 C9 DPE H 452 73.977 39.422 38.227 1.00 0.00 HETI ATOM 923 H16 DPE H 452 74.548 38.620 37.713 1.00 0.00 HETI ATOM 924 H17 DPE H 452 72.945 39.060 38.424 1.00 0.00 HETI ATOM 925 H18 DPE H 452 74.483 39.666 39.185 1.00 0.00 HETI ATOM 926 O8 DPE H 452 74.391 41.724 37.751 1.00 0.00 HETI TER 927 DPE 452 END If you find results from this site helpful for your research, please cite one of our papers:
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