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*** 1AME ***elNémo ID: 241118090424505697Job options:ID = 241118090424505697 JOBID = 1AME USERID = unknown PRIVAT = 0 NMODES = 5 DQMIN = -100 DQMAX = 100 DQSTEP = 20 DOGRAPHS = on DOPROJMODS = 0 DORMSD = 0 NRBL = 0 CUTOFF = 0 CAONLY = 0 Input data for this run:HEADER 1AME REMARK Accelrys Discovery Studio PDB file REMARK Created: 2024-11-18T11:02:59Z CRYST1 32.690 38.840 47.510 90.00 90.00 90.00 P212121 ATOM 1 N ALA A 0 21.017 24.491 31.207 1.00 21.84 N1+ ATOM 2 CA ALA A 0 19.639 24.876 30.990 1.00 27.14 C ATOM 3 C ALA A 0 19.167 24.781 29.524 1.00 28.53 C ATOM 4 O ALA A 0 18.945 23.665 29.044 1.00 33.75 O ATOM 5 CB ALA A 0 19.394 26.312 31.480 1.00 24.12 C ATOM 6 N ASN A 1 19.057 25.796 28.694 1.00 29.55 N ATOM 7 CA ASN A 1 18.297 25.619 27.427 1.00 28.54 C ATOM 8 C ASN A 1 19.072 24.995 26.268 1.00 26.43 C ATOM 9 O ASN A 1 18.950 25.427 25.131 1.00 26.39 O ATOM 10 CB ASN A 1 17.724 27.020 27.043 1.00 28.77 C ATOM 11 N GLN A 2 19.905 23.967 26.528 1.00 25.14 N ATOM 12 CA GLN A 2 20.695 23.415 25.445 1.00 23.69 C ATOM 13 C GLN A 2 19.900 22.260 24.830 1.00 20.88 C ATOM 14 O GLN A 2 19.366 21.368 25.503 1.00 20.35 O ATOM 15 CB GLN A 2 22.050 23.003 26.026 1.00 27.20 C ATOM 16 CG GLN A 2 22.930 22.177 25.055 1.00 36.27 C ATOM 17 CD GLN A 2 23.407 22.588 23.592 1.00 40.64 C ATOM 18 OE1 GLN A 2 24.503 23.155 23.336 1.00 43.55 O ATOM 19 NE2 GLN A 2 22.746 22.202 22.493 1.00 39.17 N ATOM 20 N ALA A 3 19.769 22.372 23.526 1.00 18.54 N ATOM 21 CA ALA A 3 18.996 21.435 22.716 1.00 16.05 C ATOM 22 C ALA A 3 19.844 20.281 22.174 1.00 14.41 C ATOM 23 O ALA A 3 20.983 20.470 21.746 1.00 14.85 O ATOM 24 CB ALA A 3 18.376 22.185 21.529 1.00 15.02 C ATOM 25 N SER A 4 19.260 19.103 22.143 1.00 11.37 N ATOM 26 CA SER A 4 19.910 17.866 21.704 1.00 9.93 C ATOM 27 C SER A 4 19.203 17.372 20.450 1.00 9.23 C ATOM 28 O SER A 4 18.048 17.748 20.138 1.00 8.55 O ATOM 29 CB SER A 4 19.775 16.726 22.793 1.00 7.56 C ATOM 30 OG SER A 4 20.397 17.121 23.972 1.00 7.96 O ATOM 31 N VAL A 5 19.908 16.452 19.773 1.00 8.83 N ATOM 32 CA VAL A 5 19.325 15.747 18.617 1.00 8.04 C ATOM 33 C VAL A 5 18.366 14.677 19.172 1.00 8.44 C ATOM 34 O VAL A 5 18.706 13.911 20.073 1.00 7.95 O ATOM 35 CB VAL A 5 20.395 15.055 17.783 1.00 8.52 C ATOM 36 CG1 VAL A 5 19.755 14.514 16.534 1.00 10.09 C ATOM 37 CG2 VAL A 5 21.538 15.991 17.468 1.00 11.40 C ATOM 38 N VAL A 6 17.139 14.653 18.688 1.00 8.67 N ATOM 39 CA VAL A 6 16.145 13.657 19.169 1.00 9.43 C ATOM 40 C VAL A 6 15.651 12.909 17.908 1.00 8.62 C ATOM 41 O VAL A 6 15.515 13.476 16.798 1.00 8.73 O ATOM 42 CB VAL A 6 14.969 14.398 19.918 1.00 9.73 C ATOM 43 CG1 VAL A 6 13.800 13.446 20.186 1.00 10.39 C ATOM 44 CG2 VAL A 6 15.475 14.948 21.250 1.00 7.35 C ATOM 45 N ALA A 7 15.442 11.595 18.038 1.00 7.17 N ATOM 46 CA ALA A 7 14.964 10.763 16.926 1.00 7.13 C ATOM 47 C ALA A 7 13.554 11.164 16.498 1.00 6.77 C ATOM 48 O ALA A 7 12.603 11.101 17.250 1.00 9.79 O ATOM 49 CB ALA A 7 15.003 9.282 17.392 1.00 5.32 C ATOM 50 N ASN A 8 13.372 11.621 15.299 1.00 9.71 N ATOM 51 CA ASN A 8 12.088 12.087 14.773 1.00 11.22 C ATOM 52 C ASN A 8 11.256 10.923 14.228 1.00 12.45 C ATOM 53 O ASN A 8 10.068 11.053 13.909 1.00 10.77 O ATOM 54 CB ASN A 8 12.309 13.134 13.638 1.00 11.21 C ATOM 55 CG ASN A 8 10.999 13.829 13.203 1.00 13.50 C ATOM 56 OD1 ASN A 8 10.677 13.887 12.006 1.00 18.10 O ATOM 57 ND2 ASN A 8 10.145 14.328 14.095 1.00 14.45 N ATOM 58 N GLN A 9 11.934 9.781 14.085 1.00 14.42 N ATOM 59 CA GLN A 9 11.317 8.491 13.700 1.00 15.66 C ATOM 60 C GLN A 9 12.178 7.398 14.282 1.00 14.92 C ATOM 61 O GLN A 9 13.237 7.685 14.812 1.00 12.63 O ATOM 62 CB GLN A 9 11.225 8.362 12.169 1.00 17.95 C ATOM 63 CG GLN A 9 12.544 8.542 11.525 1.00 21.38 C ATOM 64 CD GLN A 9 12.575 8.122 10.072 1.00 23.12 C ATOM 65 OE1 GLN A 9 12.173 8.870 9.207 1.00 22.32 O ATOM 66 NE2 GLN A 9 13.101 6.928 9.789 1.00 24.82 N ATOM 67 N LEU A 10 11.712 6.154 14.317 1.00 14.36 N ATOM 68 CA LEU A 10 12.589 5.063 14.767 1.00 16.09 C ATOM 69 C LEU A 10 13.714 4.997 13.732 1.00 14.27 C ATOM 70 O LEU A 10 13.448 5.042 12.522 1.00 14.62 O ATOM 71 CB LEU A 10 11.845 3.674 14.861 1.00 14.78 C ATOM 72 CG LEU A 10 12.646 2.472 15.362 1.00 16.03 C ATOM 73 CD1 LEU A 10 11.752 1.660 16.257 1.00 18.70 C ATOM 74 CD2 LEU A 10 13.146 1.630 14.199 1.00 18.97 C ATOM 75 N ILE A 11 14.964 4.998 14.201 1.00 12.60 N ATOM 76 CA ILE A 11 16.127 4.923 13.366 1.00 11.18 C ATOM 77 C ILE A 11 16.603 3.485 13.463 1.00 11.61 C ATOM 78 O ILE A 11 16.989 3.039 14.545 1.00 12.14 O ATOM 79 CB ILE A 11 17.195 5.898 13.880 1.00 11.39 C ATOM 80 CG1 ILE A 11 16.663 7.349 13.841 1.00 11.22 C ATOM 81 CG2 ILE A 11 18.417 5.776 13.020 1.00 10.09 C ATOM 82 CD1 ILE A 11 17.641 8.234 14.561 1.00 9.48 C ATOM 83 N PRO A 12 16.551 2.707 12.358 1.00 13.71 N ATOM 84 CA PRO A 12 16.997 1.315 12.365 1.00 12.17 C ATOM 85 C PRO A 12 18.501 1.177 12.474 1.00 11.35 C ATOM 86 O PRO A 12 19.249 2.061 12.065 1.00 12.35 O ATOM 87 CB PRO A 12 16.421 0.763 11.078 1.00 14.15 C ATOM 88 CG PRO A 12 16.313 1.950 10.144 1.00 14.66 C ATOM 89 CD PRO A 12 15.956 3.101 11.052 1.00 12.79 C ATOM 90 N ILE A 13 18.972 0.063 13.005 1.00 13.34 N ATOM 91 CA ILE A 13 20.380 -0.227 13.092 1.00 13.23 C ATOM 92 C ILE A 13 21.037 -0.233 11.721 1.00 13.49 C ATOM 93 O ILE A 13 20.465 -0.576 10.678 1.00 11.12 O ATOM 94 CB ILE A 13 20.539 -1.600 13.845 1.00 13.46 C ATOM 95 CG1 ILE A 13 21.999 -1.665 14.326 1.00 14.84 C ATOM 96 CG2 ILE A 13 20.171 -2.789 12.985 1.00 12.42 C ATOM 97 CD1 ILE A 13 22.311 -2.951 15.136 1.00 18.54 C ATOM 98 N ASN A 14 22.304 0.175 11.720 1.00 15.02 N ATOM 99 CA ASN A 14 23.158 0.136 10.533 1.00 16.86 C ATOM 100 C ASN A 14 22.558 0.791 9.280 1.00 16.42 C ATOM 101 O ASN A 14 22.596 0.313 8.134 1.00 16.11 O ATOM 102 CB ASN A 14 23.530 -1.327 10.204 1.00 19.26 C ATOM 103 CG ASN A 14 24.245 -1.994 11.383 1.00 25.16 C ATOM 104 OD1 ASN A 14 24.938 -1.364 12.204 1.00 24.82 O ATOM 105 ND2 ASN A 14 24.082 -3.307 11.601 1.00 26.07 N ATOM 106 N THR A 15 21.918 1.935 9.524 1.00 15.99 N ATOM 107 CA THR A 15 21.251 2.659 8.453 1.00 14.94 C ATOM 108 C THR A 15 21.808 4.102 8.544 1.00 12.27 C ATOM 109 O THR A 15 22.023 4.625 9.631 1.00 15.00 O ATOM 110 CB THR A 15 19.736 2.565 8.719 1.00 16.37 C ATOM 111 OG1 THR A 15 19.347 1.203 8.517 1.00 14.99 O ATOM 112 CG2 THR A 15 18.921 3.506 7.799 1.00 15.89 C ATOM 113 N ALA A 16 22.160 4.618 7.399 1.00 12.89 N ATOM 114 CA ALA A 16 22.684 5.959 7.280 1.00 13.11 C ATOM 115 C ALA A 16 21.626 7.034 7.702 1.00 12.40 C ATOM 116 O ALA A 16 20.467 7.019 7.274 1.00 11.61 O ATOM 117 CB ALA A 16 23.096 6.141 5.835 1.00 12.25 C ATOM 118 N LEU A 17 22.023 7.936 8.599 1.00 13.21 N ATOM 119 CA LEU A 17 21.178 9.010 9.092 1.00 12.45 C ATOM 120 C LEU A 17 20.828 10.004 7.982 1.00 12.08 C ATOM 121 O LEU A 17 21.663 10.386 7.150 1.00 12.41 O ATOM 122 CB LEU A 17 21.914 9.703 10.242 1.00 12.68 C ATOM 123 CG LEU A 17 22.067 8.926 11.579 1.00 14.20 C ATOM 124 CD1 LEU A 17 23.010 9.653 12.534 1.00 12.29 C ATOM 125 CD2 LEU A 17 20.690 8.762 12.200 1.00 16.05 C ATOM 126 N THR A 18 19.567 10.425 7.952 1.00 12.76 N ATOM 127 CA THR A 18 19.116 11.431 6.995 1.00 12.23 C ATOM 128 C THR A 18 18.453 12.547 7.829 1.00 12.67 C ATOM 129 O THR A 18 18.054 12.356 9.005 1.00 10.29 O ATOM 130 CB THR A 18 18.110 10.790 6.006 1.00 13.25 C ATOM 131 OG1 THR A 18 16.914 10.523 6.715 1.00 13.15 O ATOM 132 CG2 THR A 18 18.686 9.525 5.354 1.00 12.53 C ATOM 133 N LEU A 19 18.275 13.727 7.203 1.00 13.19 N ATOM 134 CA LEU A 19 17.681 14.849 7.907 1.00 12.28 C ATOM 135 C LEU A 19 16.263 14.644 8.390 1.00 11.66 C ATOM 136 O LEU A 19 15.934 15.177 9.442 1.00 13.20 O ATOM 137 CB LEU A 19 17.798 16.080 6.974 1.00 13.61 C ATOM 138 CG LEU A 19 19.258 16.578 6.740 1.00 12.78 C ATOM 139 CD1 LEU A 19 19.269 17.688 5.699 1.00 15.40 C ATOM 140 CD2 LEU A 19 19.866 17.064 8.049 1.00 12.35 C ATOM 141 N VAL A 20 15.412 13.850 7.742 1.00 11.31 N ATOM 142 CA VAL A 20 14.075 13.592 8.255 1.00 12.07 C ATOM 143 C VAL A 20 14.101 12.758 9.522 1.00 11.24 C ATOM 144 O VAL A 20 13.110 12.715 10.220 1.00 11.96 O ATOM 145 CB VAL A 20 13.121 12.828 7.291 1.00 14.55 C ATOM 146 CG1 VAL A 20 12.997 13.631 5.987 1.00 19.43 C ATOM 147 CG2 VAL A 20 13.631 11.472 6.943 1.00 14.37 C ATOM 148 N MET A 21 15.181 12.073 9.835 1.00 9.08 N ATOM 149 CA MET A 21 15.250 11.289 11.055 1.00 10.35 C ATOM 150 C MET A 21 15.596 12.098 12.337 1.00 10.22 C ATOM 151 O MET A 21 15.539 11.562 13.461 1.00 9.65 O ATOM 152 CB MET A 21 16.318 10.171 10.929 1.00 8.86 C ATOM 153 CG MET A 21 16.051 9.229 9.756 1.00 10.03 C ATOM 154 SD MET A 21 17.408 8.055 9.683 1.00 12.81 S ATOM 155 CE MET A 21 16.882 7.157 8.266 1.00 11.73 C ATOM 156 N MET A 22 15.971 13.371 12.217 1.00 10.21 N ATOM 157 CA MET A 22 16.509 14.119 13.369 1.00 12.31 C ATOM 158 C MET A 22 15.832 15.440 13.611 1.00 12.70 C ATOM 159 O MET A 22 15.710 16.260 12.698 1.00 15.30 O ATOM 160 CB MET A 22 18.003 14.422 13.176 1.00 11.82 C ATOM 161 CG MET A 22 18.904 13.173 13.157 1.00 14.23 C ATOM 162 SD MET A 22 20.632 13.458 12.728 1.00 14.53 S ATOM 163 CE MET A 22 20.712 13.561 10.989 1.00 11.06 C ATOM 164 N ARG A 23 15.350 15.662 14.817 1.00 12.22 N ATOM 165 CA ARG A 23 14.776 16.970 15.166 1.00 11.71 C ATOM 166 C ARG A 23 15.582 17.495 16.359 1.00 12.01 C ATOM 167 O ARG A 23 16.473 16.793 16.900 1.00 11.06 O ATOM 168 CB ARG A 23 13.282 16.810 15.499 1.00 13.80 C ATOM 169 CG ARG A 23 12.950 16.017 16.754 1.00 16.37 C ATOM 170 CD ARG A 23 11.448 15.971 16.863 1.00 20.14 C ATOM 171 NE ARG A 23 11.096 15.536 18.204 1.00 24.81 N ATOM 172 CZ ARG A 23 10.372 14.434 18.442 1.00 25.11 C ATOM 173 NH1 ARG A 23 9.988 13.611 17.455 1.00 27.43 N ATOM 174 NH2 ARG A 23 10.072 14.114 19.702 1.00 25.01 N ATOM 175 N SER A 24 15.303 18.731 16.804 1.00 11.32 N ATOM 176 CA SER A 24 16.043 19.387 17.875 1.00 12.17 C ATOM 177 C SER A 24 15.063 19.593 19.008 1.00 10.90 C ATOM 178 O SER A 24 13.996 20.170 18.773 1.00 11.89 O ATOM 179 CB SER A 24 16.572 20.761 17.397 1.00 10.39 C ATOM 180 OG SER A 24 17.090 21.513 18.484 1.00 16.30 O ATOM 181 N GLU A 25 15.446 19.254 20.220 1.00 9.52 N ATOM 182 CA GLU A 25 14.559 19.419 21.334 1.00 9.70 C ATOM 183 C GLU A 25 15.340 19.682 22.601 1.00 9.90 C ATOM 184 O GLU A 25 16.442 19.160 22.774 1.00 9.21 O ATOM 185 CB GLU A 25 13.752 18.146 21.402 1.00 11.47 C ATOM 186 CG GLU A 25 12.484 18.308 22.087 1.00 18.76 C ATOM 187 CD GLU A 25 11.720 17.000 22.338 1.00 20.40 C ATOM 188 OE1 GLU A 25 11.763 16.104 21.506 1.00 19.73 O ATOM 189 OE2 GLU A 25 11.069 16.928 23.381 1.00 25.36 O ATOM 190 N VAL A 26 14.870 20.526 23.535 1.00 11.23 N ATOM 191 CA VAL A 26 15.492 20.659 24.865 1.00 11.10 C ATOM 192 C VAL A 26 15.024 19.512 25.742 1.00 11.75 C ATOM 193 O VAL A 26 13.865 19.450 26.173 1.00 13.08 O ATOM 194 CB VAL A 26 15.111 22.021 25.514 1.00 13.29 C ATOM 195 CG1 VAL A 26 15.714 22.057 26.881 1.00 12.66 C ATOM 196 CG2 VAL A 26 15.551 23.229 24.588 1.00 14.16 C ATOM 197 N VAL A 27 15.923 18.562 26.018 1.00 12.75 N ATOM 198 CA VAL A 27 15.628 17.379 26.838 1.00 11.64 C ATOM 199 C VAL A 27 16.691 17.193 27.898 1.00 12.44 C ATOM 200 O VAL A 27 17.763 17.839 27.844 1.00 11.65 O ATOM 201 CB VAL A 27 15.565 16.102 25.951 1.00 12.18 C ATOM 202 CG1 VAL A 27 14.369 16.173 25.042 1.00 11.73 C ATOM 203 CG2 VAL A 27 16.829 15.970 25.131 1.00 13.26 C ATOM 204 N THR A 28 16.355 16.342 28.875 1.00 12.04 N ATOM 205 CA THR A 28 17.239 15.999 29.977 1.00 15.80 C ATOM 206 C THR A 28 17.333 14.467 30.147 1.00 13.83 C ATOM 207 O THR A 28 16.255 13.876 30.260 1.00 13.16 O ATOM 208 CB THR A 28 16.777 16.571 31.370 1.00 17.48 C ATOM 209 OG1 THR A 28 16.250 17.881 31.229 1.00 22.77 O ATOM 210 CG2 THR A 28 18.002 16.633 32.294 1.00 21.75 C ATOM 211 N PRO A 29 18.502 13.830 30.251 1.00 13.16 N ATOM 212 CA PRO A 29 19.830 14.427 30.078 1.00 12.70 C ATOM 213 C PRO A 29 20.167 14.971 28.691 1.00 11.84 C ATOM 214 O PRO A 29 19.490 14.669 27.720 1.00 11.92 O ATOM 215 CB PRO A 29 20.762 13.350 30.487 1.00 12.88 C ATOM 216 CG PRO A 29 20.007 12.157 29.981 1.00 14.99 C ATOM 217 CD PRO A 29 18.595 12.427 30.490 1.00 13.55 C ATOM 218 N VAL A 30 21.193 15.784 28.594 1.00 11.68 N ATOM 219 CA VAL A 30 21.604 16.412 27.345 1.00 13.02 C ATOM 220 C VAL A 30 22.347 15.339 26.497 1.00 12.66 C ATOM 221 O VAL A 30 23.212 14.608 27.048 1.00 14.77 O ATOM 222 CB VAL A 30 22.535 17.620 27.736 1.00 15.68 C ATOM 223 CG1 VAL A 30 23.000 18.404 26.574 1.00 18.28 C ATOM 224 CG2 VAL A 30 21.704 18.592 28.576 1.00 20.22 C ATOM 225 N GLY A 31 22.055 15.208 25.207 1.00 10.99 N ATOM 226 CA GLY A 31 22.729 14.307 24.306 1.00 9.59 C ATOM 227 C GLY A 31 23.591 15.098 23.314 1.00 9.95 C ATOM 228 O GLY A 31 24.210 16.139 23.621 1.00 8.80 O ATOM 229 N ILE A 32 23.694 14.578 22.103 1.00 8.52 N ATOM 230 CA ILE A 32 24.474 15.210 21.028 1.00 9.97 C ATOM 231 C ILE A 32 23.859 16.575 20.727 1.00 9.59 C ATOM 232 O ILE A 32 22.646 16.655 20.540 1.00 8.97 O ATOM 233 CB ILE A 32 24.458 14.301 19.755 1.00 10.21 C ATOM 234 CG1 ILE A 32 25.270 12.973 20.038 1.00 10.36 C ATOM 235 CG2 ILE A 32 25.076 15.061 18.547 1.00 9.84 C ATOM 236 CD1 ILE A 32 25.287 12.013 18.817 1.00 9.10 C ATOM 237 N PRO A 33 24.639 17.672 20.733 1.00 11.37 N ATOM 238 CA PRO A 33 24.131 19.042 20.484 1.00 11.31 C ATOM 239 C PRO A 33 23.360 19.107 19.213 1.00 10.99 C ATOM 240 O PRO A 33 23.821 18.615 18.161 1.00 10.11 O ATOM 241 CB PRO A 33 25.370 19.933 20.442 1.00 13.34 C ATOM 242 CG PRO A 33 26.391 19.170 21.297 1.00 14.91 C ATOM 243 CD PRO A 33 26.090 17.683 20.919 1.00 13.94 C ATOM 244 N ALA A 34 22.223 19.809 19.244 1.00 12.24 N ATOM 245 CA ALA A 34 21.472 19.974 18.023 1.00 13.21 C ATOM 246 C ALA A 34 22.252 20.607 16.857 1.00 13.33 C ATOM 247 O ALA A 34 21.981 20.338 15.677 1.00 14.01 O ATOM 248 CB ALA A 34 20.262 20.804 18.345 1.00 14.60 C ATOM 249 N GLU A 35 23.297 21.425 17.122 1.00 14.33 N ATOM 250 CA GLU A 35 24.123 22.008 16.059 1.00 17.81 C ATOM 251 C GLU A 35 24.854 20.924 15.208 1.00 16.50 C ATOM 252 O GLU A 35 25.379 21.190 14.110 1.00 16.80 O ATOM 253 CB GLU A 35 25.183 22.929 16.653 1.00 23.59 C ATOM 254 CG GLU A 35 26.219 22.142 17.508 1.00 33.65 C ATOM 255 CD GLU A 35 27.135 22.898 18.494 1.00 41.84 C ATOM 256 OE1 GLU A 35 26.594 23.589 19.393 1.00 44.20 O ATOM 257 OE2 GLU A 35 28.386 22.733 18.406 1.00 46.01 O ATOM 258 N ASP A 36 24.989 19.682 15.737 1.00 14.07 N ATOM 259 CA ASP A 36 25.645 18.625 15.005 1.00 13.97 C ATOM 260 C ASP A 36 24.767 17.883 14.064 1.00 14.42 C ATOM 261 O ASP A 36 25.298 16.964 13.409 1.00 13.65 O ATOM 262 CB ASP A 36 26.270 17.612 15.941 1.00 16.75 C ATOM 263 CG ASP A 36 27.603 18.049 16.540 1.00 22.07 C ATOM 264 OD1 ASP A 36 28.247 18.975 16.018 1.00 26.35 O ATOM 265 OD2 ASP A 36 27.999 17.472 17.561 1.00 22.64 O ATOM 266 N ILE A 37 23.471 18.232 13.879 1.00 12.97 N ATOM 267 CA ILE A 37 22.651 17.530 12.915 1.00 12.59 C ATOM 268 C ILE A 37 23.302 17.434 11.524 1.00 13.77 C ATOM 269 O ILE A 37 23.391 16.326 10.976 1.00 13.52 O ATOM 270 CB ILE A 37 21.231 18.225 12.884 1.00 12.30 C ATOM 271 CG1 ILE A 37 20.556 17.843 14.184 1.00 13.54 C ATOM 272 CG2 ILE A 37 20.369 17.811 11.632 1.00 12.04 C ATOM 273 CD1 ILE A 37 19.167 18.468 14.424 1.00 14.13 C ATOM 274 N PRO A 38 23.835 18.477 10.852 1.00 15.82 N ATOM 275 CA PRO A 38 24.471 18.297 9.535 1.00 15.69 C ATOM 276 C PRO A 38 25.643 17.359 9.512 1.00 15.38 C ATOM 277 O PRO A 38 25.804 16.566 8.614 1.00 16.27 O ATOM 278 CB PRO A 38 24.820 19.718 9.106 1.00 18.28 C ATOM 279 CG PRO A 38 24.727 20.578 10.358 1.00 17.09 C ATOM 280 CD PRO A 38 23.661 19.892 11.221 1.00 16.68 C ATOM 281 N ARG A 39 26.461 17.380 10.535 1.00 16.65 N ATOM 282 CA ARG A 39 27.593 16.459 10.669 1.00 17.90 C ATOM 283 C ARG A 39 27.156 14.996 10.771 1.00 15.81 C ATOM 284 O ARG A 39 27.800 14.130 10.208 1.00 14.88 O ATOM 285 CB ARG A 39 28.334 16.871 11.895 1.00 21.21 C ATOM 286 CG ARG A 39 29.382 15.895 12.362 1.00 28.80 C ATOM 287 CD ARG A 39 29.434 16.069 13.859 1.00 34.02 C ATOM 288 NE ARG A 39 30.828 15.945 14.232 1.00 40.46 N ATOM 289 CZ ARG A 39 31.291 16.233 15.455 1.00 41.83 C ATOM 290 NH1 ARG A 39 30.521 16.645 16.465 1.00 42.07 N ATOM 291 NH2 ARG A 39 32.617 16.209 15.606 1.00 46.12 N ATOM 292 N LEU A 40 26.027 14.715 11.402 1.00 15.23 N ATOM 293 CA LEU A 40 25.486 13.357 11.552 1.00 14.03 C ATOM 294 C LEU A 40 24.912 12.717 10.316 1.00 11.56 C ATOM 295 O LEU A 40 24.781 11.511 10.244 1.00 11.10 O ATOM 296 CB LEU A 40 24.408 13.367 12.640 1.00 13.53 C ATOM 297 CG LEU A 40 24.825 13.491 14.139 1.00 14.65 C ATOM 298 CD1 LEU A 40 23.546 13.322 14.958 1.00 14.57 C ATOM 299 CD2 LEU A 40 25.770 12.414 14.627 1.00 14.75 C ATOM 300 N VAL A 41 24.556 13.515 9.295 1.00 12.51 N ATOM 301 CA VAL A 41 24.004 13.000 8.058 1.00 11.73 C ATOM 302 C VAL A 41 24.978 11.984 7.480 1.00 12.34 C ATOM 303 O VAL A 41 26.182 12.239 7.407 1.00 12.38 O ATOM 304 CB VAL A 41 23.788 14.160 7.058 1.00 10.37 C ATOM 305 CG1 VAL A 41 23.406 13.603 5.673 1.00 10.64 C ATOM 306 CG2 VAL A 41 22.682 15.060 7.581 1.00 10.86 C ATOM 307 N SER A 42 24.448 10.825 7.158 1.00 12.35 N ATOM 308 CA SER A 42 25.063 9.626 6.595 1.00 13.73 C ATOM 309 C SER A 42 25.901 8.831 7.583 1.00 13.33 C ATOM 310 O SER A 42 26.423 7.796 7.205 1.00 13.63 O ATOM 311 CB SER A 42 25.905 9.954 5.331 1.00 15.93 C ATOM 312 OG SER A 42 27.160 10.610 5.496 1.00 22.61 O ATOM 313 N MET A 43 26.032 9.256 8.848 1.00 11.53 N ATOM 314 CA MET A 43 26.637 8.395 9.861 1.00 12.02 C ATOM 315 C MET A 43 25.625 7.333 10.261 1.00 12.40 C ATOM 316 O MET A 43 24.438 7.376 9.927 1.00 12.79 O ATOM 317 CB MET A 43 27.055 9.244 11.055 1.00 12.80 C ATOM 318 CG MET A 43 28.183 10.235 10.639 1.00 14.29 C ATOM 319 SD MET A 43 28.719 11.184 12.079 1.00 18.26 S ATOM 320 CE MET A 43 30.018 10.131 12.630 1.00 21.63 C ATOM 321 N GLN A 44 26.087 6.280 10.893 1.00 12.98 N ATOM 322 CA GLN A 44 25.247 5.149 11.275 1.00 13.02 C ATOM 323 C GLN A 44 25.140 5.029 12.756 1.00 11.70 C ATOM 324 O GLN A 44 26.044 5.355 13.522 1.00 11.93 O ATOM 325 CB GLN A 44 25.815 3.816 10.795 1.00 13.67 C ATOM 326 CG GLN A 44 25.680 3.505 9.319 1.00 21.71 C ATOM 327 CD GLN A 44 26.076 2.077 8.967 1.00 21.14 C ATOM 328 OE1 GLN A 44 26.210 1.193 9.812 1.00 26.04 O ATOM 329 NE2 GLN A 44 26.255 1.792 7.693 1.00 27.80 N ATOM 330 N VAL A 45 23.976 4.538 13.181 1.00 12.74 N ATOM 331 CA VAL A 45 23.791 4.212 14.599 1.00 14.68 C ATOM 332 C VAL A 45 24.146 2.771 14.814 1.00 13.79 C ATOM 333 O VAL A 45 23.946 1.935 13.926 1.00 15.72 O ATOM 334 CB VAL A 45 22.340 4.425 15.091 1.00 15.87 C ATOM 335 CG1 VAL A 45 22.112 5.930 15.211 1.00 17.32 C ATOM 336 CG2 VAL A 45 21.331 3.782 14.130 1.00 15.89 C ATOM 337 N ASN A 46 24.679 2.475 15.974 1.00 15.30 N ATOM 338 CA ASN A 46 25.061 1.089 16.236 1.00 16.07 C ATOM 339 C ASN A 46 23.971 0.327 16.919 1.00 15.55 C ATOM 340 O ASN A 46 24.171 -0.811 17.256 1.00 16.93 O ATOM 341 CB ASN A 46 26.352 1.043 17.072 1.00 16.51 C ATOM 342 CG ASN A 46 26.255 1.734 18.406 1.00 18.77 C ATOM 343 OD1 ASN A 46 25.176 2.047 18.901 1.00 20.45 O ATOM 344 ND2 ASN A 46 27.398 2.084 19.010 1.00 24.87 N ATOM 345 N ARG A 47 22.810 0.878 17.150 1.00 16.84 N ATOM 346 CA ARG A 47 21.628 0.241 17.762 1.00 16.07 C ATOM 347 C ARG A 47 20.361 0.919 17.191 1.00 14.80 C ATOM 348 O ARG A 47 20.441 2.035 16.670 1.00 14.89 O ATOM 349 CB ARG A 47 21.646 0.435 19.270 1.00 17.21 C ATOM 350 CG ARG A 47 21.312 1.872 19.723 1.00 18.55 C ATOM 351 CD ARG A 47 21.746 2.021 21.100 1.00 21.74 C ATOM 352 NE ARG A 47 23.202 2.052 21.128 1.00 25.13 N ATOM 353 CZ ARG A 47 23.876 2.416 22.234 1.00 24.62 C ATOM 354 NH1 ARG A 47 23.187 2.748 23.325 1.00 26.03 N ATOM 355 NH2 ARG A 47 25.222 2.496 22.228 1.00 24.07 N ATOM 356 N ALA A 48 19.212 0.248 17.151 1.00 12.01 N ATOM 357 CA ALA A 48 18.001 0.900 16.701 1.00 12.00 C ATOM 358 C ALA A 48 17.646 1.982 17.707 1.00 10.54 C ATOM 359 O ALA A 48 17.772 1.784 18.912 1.00 10.70 O ATOM 360 CB ALA A 48 16.868 -0.087 16.638 1.00 11.95 C ATOM 361 N VAL A 49 17.233 3.160 17.280 1.00 11.29 N ATOM 362 CA VAL A 49 16.891 4.236 18.215 1.00 10.95 C ATOM 363 C VAL A 49 15.378 4.474 18.119 1.00 10.36 C ATOM 364 O VAL A 49 14.893 4.974 17.103 1.00 11.05 O ATOM 365 CB VAL A 49 17.748 5.487 17.811 1.00 10.05 C ATOM 366 CG1 VAL A 49 17.421 6.626 18.746 1.00 9.47 C ATOM 367 CG2 VAL A 49 19.250 5.138 17.856 1.00 9.72 C ATOM 368 N PRO A 50 14.558 4.123 19.105 1.00 11.27 N ATOM 369 CA PRO A 50 13.112 4.397 19.125 1.00 11.74 C ATOM 370 C PRO A 50 12.803 5.872 18.901 1.00 12.78 C ATOM 371 O PRO A 50 13.613 6.744 19.240 1.00 11.40 O ATOM 372 CB PRO A 50 12.610 3.971 20.480 1.00 11.15 C ATOM 373 CG PRO A 50 13.654 2.990 20.888 1.00 12.98 C ATOM 374 CD PRO A 50 14.987 3.497 20.353 1.00 12.11 C ATOM 375 N LEU A 51 11.635 6.137 18.342 1.00 12.86 N ATOM 376 CA LEU A 51 11.121 7.504 18.209 1.00 13.46 C ATOM 377 C LEU A 51 11.146 8.237 19.559 1.00 11.53 C ATOM 378 O LEU A 51 10.742 7.689 20.587 1.00 11.19 O ATOM 379 CB LEU A 51 9.668 7.442 17.658 1.00 13.58 C ATOM 380 CG LEU A 51 8.809 8.693 17.736 1.00 12.95 C ATOM 381 CD1 LEU A 51 9.145 9.530 16.547 1.00 15.87 C ATOM 382 CD2 LEU A 51 7.327 8.419 17.599 1.00 15.38 C ATOM 383 N GLY A 52 11.627 9.474 19.543 1.00 9.72 N ATOM 384 CA GLY A 52 11.632 10.310 20.716 1.00 9.30 C ATOM 385 C GLY A 52 12.868 10.154 21.579 1.00 10.23 C ATOM 386 O GLY A 52 13.007 10.818 22.631 1.00 11.09 O ATOM 387 N THR A 53 13.792 9.263 21.192 1.00 9.77 N ATOM 388 CA THR A 53 14.988 9.002 21.990 1.00 10.29 C ATOM 389 C THR A 53 16.009 10.111 21.682 1.00 8.63 C ATOM 390 O THR A 53 16.167 10.495 20.523 1.00 8.28 O ATOM 391 CB THR A 53 15.592 7.641 21.614 1.00 7.84 C ATOM 392 OG1 THR A 53 14.569 6.706 21.836 1.00 11.61 O ATOM 393 CG2 THR A 53 16.821 7.277 22.412 1.00 10.60 C ATOM 394 N THR A 54 16.688 10.543 22.725 1.00 7.71 N ATOM 395 CA THR A 54 17.769 11.504 22.566 1.00 9.77 C ATOM 396 C THR A 54 18.990 10.759 22.027 1.00 8.35 C ATOM 397 O THR A 54 19.379 9.782 22.685 1.00 9.52 O ATOM 398 CB THR A 54 18.161 12.172 23.915 1.00 9.56 C ATOM 399 OG1 THR A 54 17.012 12.734 24.468 1.00 11.18 O ATOM 400 CG2 THR A 54 19.213 13.233 23.739 1.00 11.10 C ATOM 401 N LEU A 55 19.585 11.179 20.897 1.00 8.73 N ATOM 402 CA LEU A 55 20.820 10.595 20.424 1.00 10.24 C ATOM 403 C LEU A 55 21.996 10.993 21.289 1.00 11.98 C ATOM 404 O LEU A 55 22.359 12.174 21.501 1.00 12.72 O ATOM 405 CB LEU A 55 21.133 11.033 19.032 1.00 12.45 C ATOM 406 CG LEU A 55 20.643 10.180 17.877 1.00 15.89 C ATOM 407 CD1 LEU A 55 19.127 10.129 17.863 1.00 18.01 C ATOM 408 CD2 LEU A 55 21.078 10.827 16.534 1.00 14.69 C ATOM 409 N MET A 56 22.649 9.973 21.801 1.00 12.29 N ATOM 410 CA MET A 56 23.833 10.110 22.643 1.00 10.93 C ATOM 411 C MET A 56 25.091 9.788 21.843 1.00 9.58 C ATOM 412 O MET A 56 25.051 9.012 20.883 1.00 8.96 O ATOM 413 CB MET A 56 23.690 9.143 23.843 1.00 10.53 C ATOM 414 CG MET A 56 22.574 9.509 24.741 1.00 13.82 C ATOM 415 SD MET A 56 23.066 10.973 25.687 1.00 18.12 S ATOM 416 CE MET A 56 21.500 11.489 26.341 1.00 17.81 C ATOM 417 N PRO A 57 26.248 10.341 22.185 1.00 10.21 N ATOM 418 CA PRO A 57 27.509 10.153 21.479 1.00 10.56 C ATOM 419 C PRO A 57 27.828 8.695 21.177 1.00 10.12 C ATOM 420 O PRO A 57 28.327 8.327 20.118 1.00 10.12 O ATOM 421 CB PRO A 57 28.581 10.770 22.381 1.00 9.11 C ATOM 422 CG PRO A 57 27.820 11.861 23.035 1.00 11.96 C ATOM 423 CD PRO A 57 26.459 11.213 23.341 1.00 11.04 C ATOM 424 N ASP A 58 27.531 7.846 22.171 1.00 10.77 N ATOM 425 CA ASP A 58 27.898 6.433 22.068 1.00 12.55 C ATOM 426 C ASP A 58 27.117 5.606 21.077 1.00 12.54 C ATOM 427 O ASP A 58 27.561 4.516 20.716 1.00 14.82 O ATOM 428 CB ASP A 58 27.819 5.794 23.457 1.00 12.91 C ATOM 429 CG ASP A 58 26.487 5.850 24.142 1.00 14.56 C ATOM 430 OD1 ASP A 58 25.719 6.754 23.969 1.00 16.07 O ATOM 431 OD2 ASP A 58 26.215 4.976 24.913 1.00 18.58 O ATOM 432 N MET A 59 25.959 6.149 20.657 1.00 11.25 N ATOM 433 CA MET A 59 25.051 5.463 19.711 1.00 11.22 C ATOM 434 C MET A 59 25.455 5.622 18.269 1.00 11.26 C ATOM 435 O MET A 59 24.922 4.915 17.422 1.00 11.86 O ATOM 436 CB MET A 59 23.591 5.992 19.798 1.00 11.34 C ATOM 437 CG MET A 59 22.945 5.721 21.082 1.00 9.48 C ATOM 438 SD MET A 59 21.415 6.667 21.158 1.00 15.49 S ATOM 439 CE MET A 59 20.977 6.349 22.800 1.00 13.29 C ATOM 440 N VAL A 60 26.350 6.561 17.931 1.00 10.18 N ATOM 441 CA VAL A 60 26.662 6.824 16.531 1.00 12.08 C ATOM 442 C VAL A 60 28.077 6.370 16.253 1.00 13.14 C ATOM 443 O VAL A 60 29.068 6.769 16.883 1.00 12.38 O ATOM 444 CB VAL A 60 26.501 8.334 16.216 1.00 12.19 C ATOM 445 CG1 VAL A 60 26.801 8.513 14.744 1.00 12.03 C ATOM 446 CG2 VAL A 60 25.079 8.859 16.567 1.00 11.23 C ATOM 447 N LYS A 61 28.114 5.488 15.281 1.00 15.01 N ATOM 448 CA LYS A 61 29.357 4.923 14.852 1.00 16.51 C ATOM 449 C LYS A 61 30.236 5.999 14.273 1.00 15.70 C ATOM 450 O LYS A 61 29.816 6.718 13.373 1.00 16.52 O ATOM 451 CB LYS A 61 29.122 3.862 13.799 1.00 17.37 C ATOM 452 CG LYS A 61 28.356 2.597 14.183 1.00 23.14 C ATOM 453 CD LYS A 61 28.462 1.774 12.863 1.00 28.26 C ATOM 454 CE LYS A 61 27.675 0.486 12.794 1.00 33.63 C ATOM 455 NZ LYS A 61 26.268 0.779 12.983 1.00 37.98 N1+ ATOM 456 N GLY A 62 31.448 6.144 14.777 1.00 16.40 N ATOM 457 CA GLY A 62 32.415 7.110 14.245 1.00 17.61 C ATOM 458 C GLY A 62 32.232 8.492 14.882 1.00 19.07 C ATOM 459 O GLY A 62 32.985 9.424 14.525 1.00 19.25 O ATOM 460 N TYR A 63 31.262 8.699 15.791 1.00 18.27 N ATOM 461 CA TYR A 63 31.087 10.049 16.316 1.00 19.76 C ATOM 462 C TYR A 63 32.154 10.396 17.337 1.00 21.75 C ATOM 463 O TYR A 63 32.461 9.636 18.256 1.00 22.27 O ATOM 464 CB TYR A 63 29.710 10.209 16.967 1.00 20.94 C ATOM 465 CG TYR A 63 29.419 11.613 17.526 1.00 19.21 C ATOM 466 CD1 TYR A 63 29.033 12.640 16.674 1.00 20.38 C ATOM 467 CD2 TYR A 63 29.690 11.863 18.879 1.00 18.73 C ATOM 468 CE1 TYR A 63 28.858 13.905 17.245 1.00 21.98 C ATOM 469 CE2 TYR A 63 29.523 13.100 19.421 1.00 19.10 C ATOM 470 CZ TYR A 63 29.078 14.122 18.623 1.00 20.28 C ATOM 471 OH TYR A 63 28.890 15.383 19.190 1.00 24.22 O ATOM 472 N ALA A 64 32.714 11.565 17.167 1.00 22.47 N ATOM 473 CA ALA A 64 33.605 12.139 18.176 1.00 26.70 C ATOM 474 C ALA A 64 33.248 13.627 18.127 1.00 28.70 C ATOM 475 O ALA A 64 33.121 14.097 17.005 1.00 31.01 O ATOM 476 CB ALA A 64 35.079 11.936 17.769 1.00 25.97 C ATOM 477 N ALA A 65 32.886 14.328 19.187 1.00 30.09 N ATOM 478 CA ALA A 65 32.668 15.763 19.120 1.00 33.62 C ATOM 479 C ALA A 65 34.074 16.414 19.063 1.00 36.02 C ATOM 480 O ALA A 65 34.316 17.185 18.119 1.00 36.99 O ATOM 481 CB ALA A 65 31.922 16.249 20.365 1.00 31.90 C ATOM 482 OXT ALA A 65 34.928 16.087 19.925 1.00 39.38 O TER 483 ALA A 65 END If you find results from this site helpful for your research, please cite one of our papers:
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