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*** Robetta03 ***elNémo ID: 20122820005765219Job options:ID = 20122820005765219 JOBID = Robetta03 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 Robetta03 REMARK Rerank model05.pdb to model03.pdb score: 73.764 SSBOND CYS A 1 CYS A 102 2.04 SSBOND CYS A 4 CYS A 105 2.07 SSBOND CYS A 89 CYS A 112 2.03 SSBOND CYS A 93 CYS A 118 2.06 ATOM 1 N CYS A 1 2.577 -5.584 4.913 1.00 2.820 N ATOM 2 CA CYS A 1 2.495 -6.963 5.364 1.00 2.710 C ATOM 3 C CYS A 1 2.327 -7.989 4.249 1.00 3.100 C ATOM 4 O CYS A 1 3.256 -8.728 3.914 1.00 3.550 O ATOM 5 CB CYS A 1 1.323 -7.130 6.344 1.00 3.840 C ATOM 6 SG CYS A 1 1.609 -6.474 8.007 1.00 3.840 S ATOM 7 1H CYS A 1 3.176 -5.055 5.527 1.00 3.380 H ATOM 8 2H CYS A 1 2.960 -5.574 3.976 1.00 3.380 H ATOM 9 3H CYS A 1 1.657 -5.177 4.891 1.00 3.380 H ATOM 10 HA CYS A 1 3.420 -7.194 5.885 1.00 3.250 H ATOM 11 1HB CYS A 1 0.453 -6.614 5.943 1.00 4.610 H ATOM 12 2HB CYS A 1 1.052 -8.176 6.425 1.00 4.610 H ATOM 13 N VAL A 2 1.163 -8.043 3.650 1.00 3.320 N ATOM 14 CA VAL A 2 0.892 -9.218 2.845 1.00 3.930 C ATOM 15 C VAL A 2 1.297 -9.181 1.396 1.00 3.550 C ATOM 16 O VAL A 2 0.942 -10.079 0.633 1.00 3.770 O ATOM 17 CB VAL A 2 -0.574 -9.583 2.956 1.00 5.260 C ATOM 18 CG1 VAL A 2 -0.910 -9.869 4.432 1.00 5.260 C ATOM 19 CG2 VAL A 2 -1.400 -8.480 2.384 1.00 5.260 C ATOM 20 H VAL A 2 0.450 -7.354 3.827 1.00 3.980 H ATOM 21 HA VAL A 2 1.436 -10.042 3.306 1.00 4.720 H ATOM 22 HB VAL A 2 -0.753 -10.500 2.395 1.00 6.310 H ATOM 23 1HG1 VAL A 2 -1.937 -10.151 4.529 1.00 6.310 H ATOM 24 2HG1 VAL A 2 -0.279 -10.688 4.788 1.00 6.310 H ATOM 25 3HG1 VAL A 2 -0.734 -8.994 5.034 1.00 6.310 H ATOM 26 1HG2 VAL A 2 -2.437 -8.750 2.441 1.00 6.310 H ATOM 27 2HG2 VAL A 2 -1.245 -7.557 2.919 1.00 6.310 H ATOM 28 3HG2 VAL A 2 -1.130 -8.334 1.353 1.00 6.310 H ATOM 29 N PHE A 3 2.158 -8.242 1.009 1.00 3.380 N ATOM 30 CA PHE A 3 2.662 -8.308 -0.347 1.00 3.420 C ATOM 31 C PHE A 3 3.859 -9.249 -0.370 1.00 2.940 C ATOM 32 O PHE A 3 4.499 -9.458 -1.402 1.00 3.240 O ATOM 33 CB PHE A 3 2.923 -6.934 -0.896 1.00 4.770 C ATOM 34 CG PHE A 3 1.620 -6.243 -1.155 1.00 4.770 C ATOM 35 CD1 PHE A 3 0.932 -5.617 -0.142 1.00 4.770 C ATOM 36 CD2 PHE A 3 1.085 -6.203 -2.408 1.00 4.770 C ATOM 37 CE1 PHE A 3 -0.233 -4.956 -0.374 1.00 4.770 C ATOM 38 CE2 PHE A 3 -0.091 -5.540 -2.631 1.00 4.770 C ATOM 39 CZ PHE A 3 -0.729 -4.915 -1.618 1.00 4.770 C ATOM 40 H PHE A 3 2.458 -7.478 1.619 1.00 4.060 H ATOM 41 HA PHE A 3 1.889 -8.744 -0.981 1.00 4.100 H ATOM 42 1HB PHE A 3 3.511 -6.354 -0.209 1.00 5.730 H ATOM 43 2HB PHE A 3 3.477 -7.004 -1.833 1.00 5.730 H ATOM 44 HD1 PHE A 3 1.328 -5.648 0.861 1.00 5.730 H ATOM 45 HD2 PHE A 3 1.601 -6.692 -3.231 1.00 5.730 H ATOM 46 HE1 PHE A 3 -0.757 -4.456 0.443 1.00 5.730 H ATOM 47 HE2 PHE A 3 -0.507 -5.493 -3.622 1.00 5.730 H ATOM 48 HZ PHE A 3 -1.627 -4.391 -1.810 1.00 5.730 H ATOM 49 N CYS A 4 4.052 -9.930 0.778 1.00 2.620 N ATOM 50 CA CYS A 4 4.993 -11.019 0.916 1.00 2.520 C ATOM 51 C CYS A 4 4.562 -12.143 -0.023 1.00 2.730 C ATOM 52 O CYS A 4 5.392 -12.891 -0.547 1.00 3.360 O ATOM 53 CB CYS A 4 5.000 -11.531 2.360 1.00 3.570 C ATOM 54 SG CYS A 4 3.409 -12.266 2.883 1.00 3.570 S ATOM 55 H CYS A 4 3.547 -9.630 1.611 1.00 3.140 H ATOM 56 HA CYS A 4 5.991 -10.679 0.648 1.00 3.020 H ATOM 57 1HB CYS A 4 5.781 -12.281 2.485 1.00 4.280 H ATOM 58 2HB CYS A 4 5.228 -10.702 3.036 1.00 4.280 H ATOM 59 N ARG A 5 3.248 -12.206 -0.332 1.00 2.730 N ATOM 60 CA ARG A 5 2.720 -13.195 -1.262 1.00 2.950 C ATOM 61 C ARG A 5 2.840 -12.601 -2.677 1.00 2.500 C ATOM 62 O ARG A 5 1.854 -12.388 -3.391 1.00 2.610 O ATOM 63 CB ARG A 5 1.260 -13.510 -0.917 1.00 4.040 C ATOM 64 CG ARG A 5 0.583 -14.630 -1.731 1.00 4.040 C ATOM 65 CD ARG A 5 -0.809 -14.907 -1.243 1.00 4.040 C ATOM 66 NE ARG A 5 -1.442 -15.980 -2.007 1.00 4.040 N ATOM 67 CZ ARG A 5 -2.669 -16.499 -1.773 1.00 4.040 C ATOM 68 NH1 ARG A 5 -3.417 -16.053 -0.787 1.00 4.040 N ATOM 69 NH2 ARG A 5 -3.124 -17.472 -2.545 1.00 4.040 N ATOM 70 H ARG A 5 2.588 -11.551 0.109 1.00 3.280 H ATOM 71 HA ARG A 5 3.314 -14.105 -1.197 1.00 3.540 H ATOM 72 1HB ARG A 5 1.201 -13.790 0.135 1.00 4.850 H ATOM 73 2HB ARG A 5 0.664 -12.604 -1.038 1.00 4.850 H ATOM 74 1HG ARG A 5 0.507 -14.351 -2.779 1.00 4.850 H ATOM 75 2HG ARG A 5 1.165 -15.546 -1.645 1.00 4.850 H ATOM 76 1HD ARG A 5 -0.778 -15.199 -0.196 1.00 4.850 H ATOM 77 2HD ARG A 5 -1.412 -14.004 -1.359 1.00 4.850 H ATOM 78 HE ARG A 5 -0.920 -16.360 -2.786 1.00 4.850 H ATOM 79 1HH1 ARG A 5 -3.086 -15.314 -0.192 1.00 4.850 H ATOM 80 2HH1 ARG A 5 -4.337 -16.452 -0.639 1.00 4.850 H ATOM 81 1HH2 ARG A 5 -2.557 -17.819 -3.306 1.00 4.850 H ATOM 82 2HH2 ARG A 5 -4.039 -17.864 -2.378 1.00 4.850 H ATOM 83 N LEU A 6 4.085 -12.407 -3.090 1.00 2.690 N ATOM 84 CA LEU A 6 4.438 -11.720 -4.326 1.00 2.740 C ATOM 85 C LEU A 6 3.795 -12.242 -5.619 1.00 2.710 C ATOM 86 O LEU A 6 3.298 -11.413 -6.394 1.00 2.880 O ATOM 87 CB LEU A 6 5.975 -11.606 -4.449 1.00 3.820 C ATOM 88 CG LEU A 6 6.528 -10.827 -5.684 1.00 3.820 C ATOM 89 CD1 LEU A 6 7.823 -10.141 -5.286 1.00 3.820 C ATOM 90 CD2 LEU A 6 6.817 -11.802 -6.861 1.00 3.820 C ATOM 91 H LEU A 6 4.817 -12.680 -2.424 1.00 3.230 H ATOM 92 HA LEU A 6 4.093 -10.692 -4.206 1.00 3.290 H ATOM 93 1HB LEU A 6 6.326 -11.080 -3.556 1.00 4.580 H ATOM 94 2HB LEU A 6 6.429 -12.580 -4.448 1.00 4.580 H ATOM 95 HG LEU A 6 5.808 -10.066 -5.998 1.00 4.580 H ATOM 96 1HD1 LEU A 6 8.215 -9.584 -6.137 1.00 4.580 H ATOM 97 2HD1 LEU A 6 7.617 -9.454 -4.477 1.00 4.580 H ATOM 98 3HD1 LEU A 6 8.554 -10.880 -4.964 1.00 4.580 H ATOM 99 1HD2 LEU A 6 7.220 -11.232 -7.698 1.00 4.580 H ATOM 100 2HD2 LEU A 6 7.547 -12.547 -6.546 1.00 4.580 H ATOM 101 3HD2 LEU A 6 5.927 -12.306 -7.193 1.00 4.580 H ATOM 102 N PRO A 7 3.716 -13.579 -5.874 1.00 3.060 N ATOM 103 CA PRO A 7 3.192 -14.189 -7.093 1.00 3.440 C ATOM 104 C PRO A 7 1.760 -13.772 -7.412 1.00 3.340 C ATOM 105 O PRO A 7 1.286 -13.998 -8.524 1.00 3.370 O ATOM 106 CB PRO A 7 3.276 -15.692 -6.792 1.00 5.160 C ATOM 107 CG PRO A 7 4.374 -15.817 -5.774 1.00 5.160 C ATOM 108 CD PRO A 7 4.231 -14.600 -4.910 1.00 5.160 C ATOM 109 HA PRO A 7 3.856 -13.929 -7.930 1.00 4.130 H ATOM 110 1HB PRO A 7 2.306 -16.051 -6.416 1.00 6.190 H ATOM 111 2HB PRO A 7 3.485 -16.248 -7.718 1.00 6.190 H ATOM 112 1HG PRO A 7 4.263 -16.756 -5.209 1.00 6.190 H ATOM 113 2HG PRO A 7 5.351 -15.864 -6.277 1.00 6.190 H ATOM 114 1HD PRO A 7 3.490 -14.824 -4.137 1.00 6.190 H ATOM 115 2HD PRO A 7 5.202 -14.359 -4.504 1.00 6.190 H ATOM 116 N ALA A 8 1.044 -13.212 -6.431 1.00 3.810 N ATOM 117 CA ALA A 8 -0.318 -12.754 -6.626 1.00 4.110 C ATOM 118 C ALA A 8 -0.432 -11.801 -7.828 1.00 3.800 C ATOM 119 O ALA A 8 -1.477 -11.770 -8.485 1.00 4.140 O ATOM 120 CB ALA A 8 -0.813 -12.075 -5.363 1.00 5.630 C ATOM 121 H ALA A 8 1.456 -13.028 -5.512 1.00 4.570 H ATOM 122 HA ALA A 8 -0.942 -13.623 -6.825 1.00 4.930 H ATOM 123 1HB ALA A 8 -1.845 -11.761 -5.501 1.00 6.760 H ATOM 124 2HB ALA A 8 -0.754 -12.772 -4.528 1.00 6.760 H ATOM 125 3HB ALA A 8 -0.186 -11.219 -5.157 1.00 6.760 H ATOM 126 N HIS A 9 0.617 -10.994 -8.099 1.00 3.670 N ATOM 127 CA HIS A 9 0.533 -10.028 -9.198 1.00 3.910 C ATOM 128 C HIS A 9 1.812 -9.958 -10.042 1.00 3.840 C ATOM 129 O HIS A 9 2.867 -9.490 -9.592 1.00 4.230 O ATOM 130 CB HIS A 9 0.286 -8.652 -8.609 1.00 5.380 C ATOM 131 CG HIS A 9 -0.075 -7.608 -9.565 1.00 5.380 C ATOM 132 ND1 HIS A 9 -1.336 -7.524 -10.117 1.00 5.380 N ATOM 133 CD2 HIS A 9 0.629 -6.580 -10.067 1.00 5.380 C ATOM 134 CE1 HIS A 9 -1.384 -6.488 -10.919 1.00 5.380 C ATOM 135 NE2 HIS A 9 -0.200 -5.899 -10.902 1.00 5.380 N ATOM 136 H HIS A 9 1.471 -11.061 -7.532 1.00 4.400 H ATOM 137 HA HIS A 9 -0.293 -10.291 -9.858 1.00 4.690 H ATOM 138 1HB HIS A 9 -0.461 -8.724 -7.896 1.00 6.450 H ATOM 139 2HB HIS A 9 1.182 -8.327 -8.089 1.00 6.450 H ATOM 140 HD1 HIS A 9 -2.022 -8.274 -10.113 1.00 6.450 H ATOM 141 HD2 HIS A 9 1.648 -6.245 -9.914 1.00 6.450 H ATOM 142 HE1 HIS A 9 -2.299 -6.244 -11.456 1.00 6.450 H ATOM 143 N ASP A 10 1.731 -10.376 -11.304 1.00 3.820 N ATOM 144 CA ASP A 10 2.931 -10.378 -12.133 1.00 4.130 C ATOM 145 C ASP A 10 3.145 -9.042 -12.840 1.00 3.920 C ATOM 146 O ASP A 10 2.777 -8.839 -14.008 1.00 4.290 O ATOM 147 CB ASP A 10 2.921 -11.510 -13.153 1.00 5.660 C ATOM 148 CG ASP A 10 4.269 -11.605 -13.902 1.00 5.660 C ATOM 149 OD1 ASP A 10 5.083 -10.671 -13.794 1.00 5.660 O ATOM 150 OD2 ASP A 10 4.498 -12.601 -14.552 1.00 5.660 O ATOM 151 H ASP A 10 0.853 -10.721 -11.677 1.00 4.580 H ATOM 152 HA ASP A 10 3.788 -10.548 -11.481 1.00 4.960 H ATOM 153 1HB ASP A 10 2.722 -12.457 -12.649 1.00 6.790 H ATOM 154 2HB ASP A 10 2.116 -11.344 -13.882 1.00 6.790 H ATOM 155 N LEU A 11 3.824 -8.148 -12.147 1.00 3.740 N ATOM 156 CA LEU A 11 4.023 -6.786 -12.625 1.00 3.930 C ATOM 157 C LEU A 11 4.997 -6.691 -13.791 1.00 4.010 C ATOM 158 O LEU A 11 5.146 -5.616 -14.373 1.00 4.320 O ATOM 159 CB LEU A 11 4.506 -5.898 -11.469 1.00 5.430 C ATOM 160 CG LEU A 11 5.903 -6.207 -10.867 1.00 5.430 C ATOM 161 CD1 LEU A 11 6.995 -5.319 -11.490 1.00 5.430 C ATOM 162 CD2 LEU A 11 5.824 -6.009 -9.396 1.00 5.430 C ATOM 163 H LEU A 11 4.100 -8.420 -11.199 1.00 4.490 H ATOM 164 HA LEU A 11 3.058 -6.408 -12.957 1.00 4.720 H ATOM 165 1HB LEU A 11 4.520 -4.870 -11.823 1.00 6.510 H ATOM 166 2HB LEU A 11 3.789 -5.969 -10.665 1.00 6.510 H ATOM 167 HG LEU A 11 6.166 -7.243 -11.077 1.00 6.510 H ATOM 168 1HD1 LEU A 11 7.956 -5.570 -11.043 1.00 6.510 H ATOM 169 2HD1 LEU A 11 7.067 -5.459 -12.557 1.00 6.510 H ATOM 170 3HD1 LEU A 11 6.767 -4.280 -11.280 1.00 6.510 H ATOM 171 1HD2 LEU A 11 6.786 -6.242 -8.939 1.00 6.510 H ATOM 172 2HD2 LEU A 11 5.560 -4.995 -9.178 1.00 6.510 H ATOM 173 3HD2 LEU A 11 5.067 -6.668 -9.001 1.00 6.510 H ATOM 174 N SER A 12 5.679 -7.789 -14.149 1.00 4.040 N ATOM 175 CA SER A 12 6.665 -7.722 -15.227 1.00 4.260 C ATOM 176 C SER A 12 5.996 -7.481 -16.575 1.00 3.800 C ATOM 177 O SER A 12 6.649 -7.092 -17.542 1.00 3.530 O ATOM 178 CB SER A 12 7.503 -8.985 -15.315 1.00 5.880 C ATOM 179 OG SER A 12 6.762 -10.064 -15.809 1.00 5.880 O ATOM 180 H SER A 12 5.485 -8.702 -13.706 1.00 4.850 H ATOM 181 HA SER A 12 7.337 -6.894 -15.021 1.00 5.110 H ATOM 182 1HB SER A 12 8.354 -8.801 -15.968 1.00 7.050 H ATOM 183 2HB SER A 12 7.891 -9.233 -14.331 1.00 7.050 H ATOM 184 HG SER A 12 6.223 -10.398 -15.062 1.00 7.050 H ATOM 185 N GLY A 13 4.679 -7.709 -16.652 1.00 4.090 N ATOM 186 CA GLY A 13 3.952 -7.509 -17.896 1.00 4.100 C ATOM 187 C GLY A 13 3.449 -6.073 -18.065 1.00 4.090 C ATOM 188 O GLY A 13 2.802 -5.751 -19.063 1.00 3.920 O ATOM 189 H GLY A 13 4.173 -8.034 -15.820 1.00 4.910 H ATOM 190 1HA GLY A 13 4.598 -7.769 -18.734 1.00 4.920 H ATOM 191 2HA GLY A 13 3.107 -8.193 -17.925 1.00 4.920 H ATOM 192 N ARG A 14 3.722 -5.210 -17.087 1.00 4.460 N ATOM 193 CA ARG A 14 3.262 -3.831 -17.103 1.00 4.560 C ATOM 194 C ARG A 14 4.471 -2.906 -17.137 1.00 4.160 C ATOM 195 O ARG A 14 4.980 -2.501 -16.095 1.00 4.120 O ATOM 196 CB ARG A 14 2.410 -3.609 -15.880 1.00 6.340 C ATOM 197 CG ARG A 14 1.151 -4.441 -15.862 1.00 6.340 C ATOM 198 CD ARG A 14 0.437 -4.324 -14.582 1.00 6.340 C ATOM 199 NE ARG A 14 -0.848 -5.080 -14.536 1.00 6.340 N ATOM 200 CZ ARG A 14 -0.945 -6.419 -14.379 1.00 6.340 C ATOM 201 NH1 ARG A 14 0.120 -7.189 -14.311 1.00 6.340 N ATOM 202 NH2 ARG A 14 -2.109 -6.990 -14.288 1.00 6.340 N ATOM 203 H ARG A 14 4.263 -5.520 -16.274 1.00 5.350 H ATOM 204 HA ARG A 14 2.661 -3.660 -17.995 1.00 5.470 H ATOM 205 1HB ARG A 14 2.989 -3.821 -14.975 1.00 7.610 H ATOM 206 2HB ARG A 14 2.107 -2.604 -15.851 1.00 7.610 H ATOM 207 1HG ARG A 14 0.517 -4.080 -16.645 1.00 7.610 H ATOM 208 2HG ARG A 14 1.394 -5.479 -16.047 1.00 7.610 H ATOM 209 1HD ARG A 14 1.067 -4.653 -13.755 1.00 7.610 H ATOM 210 2HD ARG A 14 0.204 -3.272 -14.461 1.00 7.610 H ATOM 211 HE ARG A 14 -1.746 -4.543 -14.527 1.00 7.610 H ATOM 212 1HH1 ARG A 14 1.043 -6.796 -14.374 1.00 7.610 H ATOM 213 2HH1 ARG A 14 -0.012 -8.212 -14.190 1.00 7.610 H ATOM 214 1HH2 ARG A 14 -2.958 -6.431 -14.325 1.00 7.610 H ATOM 215 2HH2 ARG A 14 -2.108 -8.011 -14.158 1.00 7.610 H ATOM 216 N LEU A 15 4.928 -2.607 -18.341 1.00 4.070 N ATOM 217 CA LEU A 15 6.236 -2.015 -18.577 1.00 3.970 C ATOM 218 C LEU A 15 6.417 -0.538 -18.270 1.00 3.890 C ATOM 219 O LEU A 15 5.452 0.230 -18.127 1.00 3.740 O ATOM 220 CB LEU A 15 6.608 -2.263 -20.041 1.00 5.600 C ATOM 221 CG LEU A 15 6.659 -3.771 -20.496 1.00 5.600 C ATOM 222 CD1 LEU A 15 7.008 -3.812 -21.975 1.00 5.600 C ATOM 223 CD2 LEU A 15 7.658 -4.585 -19.656 1.00 5.600 C ATOM 224 H LEU A 15 4.382 -2.904 -19.139 1.00 4.880 H ATOM 225 HA LEU A 15 6.947 -2.535 -17.948 1.00 4.760 H ATOM 226 1HB LEU A 15 5.876 -1.754 -20.665 1.00 6.720 H ATOM 227 2HB LEU A 15 7.582 -1.822 -20.238 1.00 6.720 H ATOM 228 HG LEU A 15 5.670 -4.218 -20.379 1.00 6.720 H ATOM 229 1HD1 LEU A 15 7.017 -4.847 -22.316 1.00 6.720 H ATOM 230 2HD1 LEU A 15 6.265 -3.252 -22.544 1.00 6.720 H ATOM 231 3HD1 LEU A 15 7.992 -3.371 -22.131 1.00 6.720 H ATOM 232 1HD2 LEU A 15 7.657 -5.620 -20.002 1.00 6.720 H ATOM 233 2HD2 LEU A 15 8.659 -4.170 -19.761 1.00 6.720 H ATOM 234 3HD2 LEU A 15 7.372 -4.582 -18.608 1.00 6.720 H ATOM 235 N ALA A 16 7.704 -0.160 -18.203 1.00 4.120 N ATOM 236 CA ALA A 16 8.176 1.195 -17.971 1.00 4.310 C ATOM 237 C ALA A 16 7.712 1.703 -16.619 1.00 4.020 C ATOM 238 O ALA A 16 8.115 1.167 -15.578 1.00 3.800 O ATOM 239 CB ALA A 16 7.718 2.112 -19.101 1.00 5.960 C ATOM 240 H ALA A 16 8.409 -0.875 -18.317 1.00 4.940 H ATOM 241 HA ALA A 16 9.266 1.178 -17.963 1.00 5.170 H ATOM 242 1HB ALA A 16 8.111 3.116 -18.937 1.00 7.150 H ATOM 243 2HB ALA A 16 8.101 1.727 -20.046 1.00 7.150 H ATOM 244 3HB ALA A 16 6.633 2.151 -19.153 1.00 7.150 H ATOM 245 N ARG A 17 6.875 2.735 -16.622 1.00 4.120 N ATOM 246 CA ARG A 17 6.414 3.313 -15.379 1.00 4.030 C ATOM 247 C ARG A 17 5.708 2.311 -14.491 1.00 3.490 C ATOM 248 O ARG A 17 5.821 2.412 -13.267 1.00 3.350 O ATOM 249 CB ARG A 17 5.465 4.478 -15.622 1.00 5.680 C ATOM 250 CG ARG A 17 6.113 5.741 -16.173 1.00 5.680 C ATOM 251 CD ARG A 17 5.198 6.929 -16.081 1.00 5.680 C ATOM 252 NE ARG A 17 3.983 6.776 -16.893 1.00 5.680 N ATOM 253 CZ ARG A 17 3.857 7.103 -18.204 1.00 5.680 C ATOM 254 NH1 ARG A 17 4.877 7.601 -18.879 1.00 5.680 N ATOM 255 NH2 ARG A 17 2.695 6.919 -18.812 1.00 5.680 N ATOM 256 H ARG A 17 6.558 3.122 -17.496 1.00 4.940 H ATOM 257 HA ARG A 17 7.282 3.690 -14.840 1.00 4.840 H ATOM 258 1HB ARG A 17 4.692 4.168 -16.324 1.00 6.810 H ATOM 259 2HB ARG A 17 4.968 4.739 -14.686 1.00 6.810 H ATOM 260 1HG ARG A 17 7.015 5.959 -15.602 1.00 6.810 H ATOM 261 2HG ARG A 17 6.377 5.585 -17.218 1.00 6.810 H ATOM 262 1HD ARG A 17 4.891 7.052 -15.041 1.00 6.810 H ATOM 263 2HD ARG A 17 5.723 7.827 -16.399 1.00 6.810 H ATOM 264 HE ARG A 17 3.162 6.406 -16.429 1.00 6.810 H ATOM 265 1HH1 ARG A 17 5.765 7.748 -18.426 1.00 6.810 H ATOM 266 2HH1 ARG A 17 4.769 7.841 -19.854 1.00 6.810 H ATOM 267 1HH2 ARG A 17 1.910 6.539 -18.300 1.00 6.810 H ATOM 268 2HH2 ARG A 17 2.587 7.159 -19.787 1.00 6.810 H ATOM 269 N LEU A 18 4.949 1.371 -15.060 1.00 3.320 N ATOM 270 CA LEU A 18 4.239 0.485 -14.170 1.00 3.040 C ATOM 271 C LEU A 18 5.200 -0.509 -13.513 1.00 2.660 C ATOM 272 O LEU A 18 5.224 -0.597 -12.291 1.00 2.460 O ATOM 273 CB LEU A 18 3.092 -0.197 -14.921 1.00 4.370 C ATOM 274 CG LEU A 18 1.868 0.719 -15.368 1.00 4.370 C ATOM 275 CD1 LEU A 18 0.937 -0.080 -16.316 1.00 4.370 C ATOM 276 CD2 LEU A 18 1.056 1.171 -14.144 1.00 4.370 C ATOM 277 H LEU A 18 4.897 1.249 -16.077 1.00 3.980 H ATOM 278 HA LEU A 18 3.808 1.083 -13.372 1.00 3.650 H ATOM 279 1HB LEU A 18 3.504 -0.600 -15.826 1.00 5.240 H ATOM 280 2HB LEU A 18 2.716 -1.005 -14.304 1.00 5.240 H ATOM 281 HG LEU A 18 2.249 1.586 -15.902 1.00 5.240 H ATOM 282 1HD1 LEU A 18 0.106 0.552 -16.629 1.00 5.240 H ATOM 283 2HD1 LEU A 18 1.496 -0.403 -17.194 1.00 5.240 H ATOM 284 3HD1 LEU A 18 0.540 -0.946 -15.795 1.00 5.240 H ATOM 285 1HD2 LEU A 18 0.219 1.788 -14.473 1.00 5.240 H ATOM 286 2HD2 LEU A 18 0.671 0.293 -13.639 1.00 5.240 H ATOM 287 3HD2 LEU A 18 1.673 1.749 -13.457 1.00 5.240 H ATOM 288 N CYS A 19 6.123 -1.151 -14.234 1.00 2.750 N ATOM 289 CA CYS A 19 6.995 -2.071 -13.500 1.00 2.750 C ATOM 290 C CYS A 19 7.741 -1.344 -12.389 1.00 2.650 C ATOM 291 O CYS A 19 7.866 -1.859 -11.275 1.00 2.590 O ATOM 292 CB CYS A 19 8.075 -2.739 -14.372 1.00 3.850 C ATOM 293 SG CYS A 19 7.533 -4.021 -15.556 1.00 3.850 S ATOM 294 H CYS A 19 6.102 -1.131 -15.250 1.00 3.300 H ATOM 295 HA CYS A 19 6.370 -2.850 -13.070 1.00 3.300 H ATOM 296 1HB CYS A 19 8.589 -1.965 -14.941 1.00 4.620 H ATOM 297 2HB CYS A 19 8.810 -3.194 -13.713 1.00 4.620 H ATOM 298 HG CYS A 19 6.549 -4.582 -14.800 1.00 4.620 H ATOM 299 N SER A 20 8.215 -0.123 -12.656 1.00 2.850 N ATOM 300 CA SER A 20 8.960 0.599 -11.634 1.00 3.060 C ATOM 301 C SER A 20 8.117 0.873 -10.386 1.00 2.760 C ATOM 302 O SER A 20 8.532 0.568 -9.253 1.00 2.760 O ATOM 303 CB SER A 20 9.468 1.904 -12.210 1.00 4.200 C ATOM 304 OG SER A 20 10.182 2.639 -11.253 1.00 4.200 O ATOM 305 H SER A 20 8.087 0.291 -13.588 1.00 3.420 H ATOM 306 HA SER A 20 9.815 -0.011 -11.341 1.00 3.670 H ATOM 307 1HB SER A 20 10.106 1.696 -13.068 1.00 5.040 H ATOM 308 2HB SER A 20 8.622 2.493 -12.572 1.00 5.040 H ATOM 309 HG SER A 20 10.462 3.442 -11.696 1.00 5.040 H ATOM 310 N GLN A 21 6.912 1.423 -10.591 1.00 2.670 N ATOM 311 CA GLN A 21 6.032 1.766 -9.487 1.00 2.630 C ATOM 312 C GLN A 21 5.556 0.554 -8.727 1.00 2.230 C ATOM 313 O GLN A 21 5.460 0.578 -7.497 1.00 2.200 O ATOM 314 CB GLN A 21 4.781 2.476 -10.011 1.00 3.700 C ATOM 315 CG GLN A 21 4.993 3.864 -10.551 1.00 3.700 C ATOM 316 CD GLN A 21 3.728 4.404 -11.207 1.00 3.700 C ATOM 317 OE1 GLN A 21 2.693 3.725 -11.268 1.00 3.700 O ATOM 318 NE2 GLN A 21 3.806 5.630 -11.705 1.00 3.700 N ATOM 319 H GLN A 21 6.610 1.635 -11.549 1.00 3.200 H ATOM 320 HA GLN A 21 6.573 2.414 -8.801 1.00 3.160 H ATOM 321 1HB GLN A 21 4.361 1.878 -10.822 1.00 4.440 H ATOM 322 2HB GLN A 21 4.034 2.522 -9.223 1.00 4.440 H ATOM 323 1HG GLN A 21 5.252 4.520 -9.723 1.00 4.440 H ATOM 324 2HG GLN A 21 5.796 3.856 -11.280 1.00 4.440 H ATOM 325 1HE2 GLN A 21 3.011 6.044 -12.149 1.00 4.440 H ATOM 326 2HE2 GLN A 21 4.660 6.147 -11.632 1.00 4.440 H ATOM 327 N MET A 22 5.233 -0.504 -9.449 1.00 2.120 N ATOM 328 CA MET A 22 4.639 -1.645 -8.813 1.00 2.120 C ATOM 329 C MET A 22 5.654 -2.446 -8.026 1.00 2.050 C ATOM 330 O MET A 22 5.336 -2.915 -6.930 1.00 2.060 O ATOM 331 CB MET A 22 3.923 -2.457 -9.869 1.00 2.970 C ATOM 332 CG MET A 22 2.844 -1.610 -10.577 1.00 2.970 C ATOM 333 SD MET A 22 1.687 -0.860 -9.489 1.00 2.970 S ATOM 334 CE MET A 22 1.094 0.515 -10.476 1.00 2.970 C ATOM 335 H MET A 22 5.348 -0.482 -10.465 1.00 2.540 H ATOM 336 HA MET A 22 3.901 -1.289 -8.099 1.00 2.540 H ATOM 337 1HB MET A 22 4.646 -2.778 -10.620 1.00 3.560 H ATOM 338 2HB MET A 22 3.465 -3.341 -9.429 1.00 3.560 H ATOM 339 1HG MET A 22 3.286 -0.816 -11.121 1.00 3.560 H ATOM 340 2HG MET A 22 2.320 -2.232 -11.285 1.00 3.560 H ATOM 341 1HE MET A 22 0.342 1.056 -9.922 1.00 3.560 H ATOM 342 2HE MET A 22 1.924 1.183 -10.723 1.00 3.560 H ATOM 343 3HE MET A 22 0.652 0.144 -11.381 1.00 3.560 H ATOM 344 N GLU A 23 6.877 -2.596 -8.547 1.00 2.210 N ATOM 345 CA GLU A 23 7.880 -3.337 -7.809 1.00 2.460 C ATOM 346 C GLU A 23 8.161 -2.636 -6.496 1.00 2.390 C ATOM 347 O GLU A 23 8.234 -3.277 -5.442 1.00 2.520 O ATOM 348 CB GLU A 23 9.172 -3.466 -8.608 1.00 3.340 C ATOM 349 CG GLU A 23 10.258 -4.264 -7.897 1.00 3.340 C ATOM 350 CD GLU A 23 11.510 -4.413 -8.702 1.00 3.340 C ATOM 351 OE1 GLU A 23 11.545 -3.947 -9.810 1.00 3.340 O ATOM 352 OE2 GLU A 23 12.448 -4.992 -8.197 1.00 3.340 O ATOM 353 H GLU A 23 7.115 -2.221 -9.470 1.00 2.650 H ATOM 354 HA GLU A 23 7.496 -4.332 -7.588 1.00 2.950 H ATOM 355 1HB GLU A 23 8.963 -3.946 -9.557 1.00 4.010 H ATOM 356 2HB GLU A 23 9.562 -2.470 -8.829 1.00 4.010 H ATOM 357 1HG GLU A 23 10.506 -3.758 -6.967 1.00 4.010 H ATOM 358 2HG GLU A 23 9.864 -5.250 -7.650 1.00 4.010 H ATOM 359 N ALA A 24 8.330 -1.306 -6.556 1.00 2.370 N ATOM 360 CA ALA A 24 8.611 -0.543 -5.357 1.00 2.540 C ATOM 361 C ALA A 24 7.485 -0.651 -4.337 1.00 2.250 C ATOM 362 O ALA A 24 7.752 -0.827 -3.143 1.00 2.380 O ATOM 363 CB ALA A 24 8.820 0.910 -5.725 1.00 3.490 C ATOM 364 H ALA A 24 8.304 -0.826 -7.464 1.00 2.840 H ATOM 365 HA ALA A 24 9.517 -0.940 -4.907 1.00 3.050 H ATOM 366 1HB ALA A 24 9.055 1.484 -4.831 1.00 4.190 H ATOM 367 2HB ALA A 24 9.639 0.989 -6.440 1.00 4.190 H ATOM 368 3HB ALA A 24 7.906 1.298 -6.181 1.00 4.190 H ATOM 369 N ARG A 25 6.228 -0.598 -4.797 1.00 2.010 N ATOM 370 CA ARG A 25 5.102 -0.690 -3.887 1.00 1.950 C ATOM 371 C ARG A 25 5.039 -2.051 -3.205 1.00 1.860 C ATOM 372 O ARG A 25 4.760 -2.115 -2.002 1.00 1.970 O ATOM 373 CB ARG A 25 3.823 -0.365 -4.624 1.00 2.750 C ATOM 374 CG ARG A 25 3.711 1.096 -4.990 1.00 2.750 C ATOM 375 CD ARG A 25 2.572 1.395 -5.866 1.00 2.750 C ATOM 376 NE ARG A 25 2.597 2.807 -6.252 1.00 2.750 N ATOM 377 CZ ARG A 25 1.828 3.372 -7.196 1.00 2.750 C ATOM 378 NH1 ARG A 25 0.955 2.658 -7.834 1.00 2.750 N ATOM 379 NH2 ARG A 25 1.964 4.658 -7.478 1.00 2.750 N ATOM 380 H ARG A 25 6.049 -0.422 -5.792 1.00 2.410 H ATOM 381 HA ARG A 25 5.234 0.069 -3.115 1.00 2.340 H ATOM 382 1HB ARG A 25 3.743 -0.967 -5.531 1.00 3.300 H ATOM 383 2HB ARG A 25 2.988 -0.588 -3.997 1.00 3.300 H ATOM 384 1HG ARG A 25 3.558 1.660 -4.076 1.00 3.300 H ATOM 385 2HG ARG A 25 4.621 1.444 -5.454 1.00 3.300 H ATOM 386 1HD ARG A 25 2.643 0.782 -6.767 1.00 3.300 H ATOM 387 2HD ARG A 25 1.638 1.187 -5.344 1.00 3.300 H ATOM 388 HE ARG A 25 3.266 3.402 -5.780 1.00 3.300 H ATOM 389 1HH1 ARG A 25 0.850 1.678 -7.606 1.00 3.300 H ATOM 390 2HH1 ARG A 25 0.385 3.084 -8.547 1.00 3.300 H ATOM 391 1HH2 ARG A 25 2.646 5.215 -6.982 1.00 3.300 H ATOM 392 2HH2 ARG A 25 1.391 5.085 -8.191 1.00 3.300 H ATOM 393 N GLN A 26 5.320 -3.138 -3.943 1.00 2.090 N ATOM 394 CA GLN A 26 5.302 -4.448 -3.312 1.00 2.460 C ATOM 395 C GLN A 26 6.357 -4.537 -2.245 1.00 2.620 C ATOM 396 O GLN A 26 6.085 -5.061 -1.165 1.00 2.990 O ATOM 397 CB GLN A 26 5.534 -5.576 -4.313 1.00 3.300 C ATOM 398 CG GLN A 26 4.424 -5.846 -5.253 1.00 3.300 C ATOM 399 CD GLN A 26 4.781 -6.936 -6.215 1.00 3.300 C ATOM 400 OE1 GLN A 26 5.966 -7.129 -6.506 1.00 3.300 O ATOM 401 NE2 GLN A 26 3.778 -7.660 -6.697 1.00 3.300 N ATOM 402 H GLN A 26 5.495 -3.043 -4.952 1.00 2.510 H ATOM 403 HA GLN A 26 4.347 -4.597 -2.823 1.00 2.950 H ATOM 404 1HB GLN A 26 6.423 -5.339 -4.909 1.00 3.960 H ATOM 405 2HB GLN A 26 5.727 -6.487 -3.792 1.00 3.960 H ATOM 406 1HG GLN A 26 3.546 -6.151 -4.693 1.00 3.960 H ATOM 407 2HG GLN A 26 4.223 -4.942 -5.818 1.00 3.960 H ATOM 408 1HE2 GLN A 26 3.958 -8.415 -7.354 1.00 3.960 H ATOM 409 2HE2 GLN A 26 2.844 -7.460 -6.407 1.00 3.960 H ATOM 410 N LYS A 27 7.555 -4.003 -2.508 1.00 2.730 N ATOM 411 CA LYS A 27 8.614 -4.069 -1.506 1.00 3.240 C ATOM 412 C LYS A 27 8.218 -3.335 -0.244 1.00 3.050 C ATOM 413 O LYS A 27 8.315 -3.905 0.855 1.00 3.530 O ATOM 414 CB LYS A 27 9.923 -3.552 -2.086 1.00 4.330 C ATOM 415 CG LYS A 27 10.532 -4.519 -3.096 1.00 4.330 C ATOM 416 CD LYS A 27 11.816 -3.992 -3.710 1.00 4.330 C ATOM 417 CE LYS A 27 12.406 -5.017 -4.687 1.00 4.330 C ATOM 418 NZ LYS A 27 13.635 -4.516 -5.370 1.00 4.330 N ATOM 419 H LYS A 27 7.738 -3.601 -3.439 1.00 3.280 H ATOM 420 HA LYS A 27 8.779 -5.097 -1.224 1.00 3.890 H ATOM 421 1HB LYS A 27 9.742 -2.600 -2.593 1.00 5.200 H ATOM 422 2HB LYS A 27 10.638 -3.376 -1.288 1.00 5.200 H ATOM 423 1HG LYS A 27 10.738 -5.467 -2.592 1.00 5.200 H ATOM 424 2HG LYS A 27 9.809 -4.706 -3.892 1.00 5.200 H ATOM 425 1HD LYS A 27 11.605 -3.066 -4.251 1.00 5.200 H ATOM 426 2HD LYS A 27 12.542 -3.782 -2.924 1.00 5.200 H ATOM 427 1HE LYS A 27 12.654 -5.922 -4.138 1.00 5.200 H ATOM 428 2HE LYS A 27 11.660 -5.258 -5.440 1.00 5.200 H ATOM 429 1HZ LYS A 27 13.982 -5.232 -6.005 1.00 5.200 H ATOM 430 2HZ LYS A 27 13.416 -3.680 -5.900 1.00 5.200 H ATOM 431 3HZ LYS A 27 14.343 -4.304 -4.686 1.00 5.200 H ATOM 432 N GLU A 28 7.672 -2.119 -0.408 1.00 2.650 N ATOM 433 CA GLU A 28 7.250 -1.298 0.719 1.00 2.820 C ATOM 434 C GLU A 28 6.154 -1.954 1.533 1.00 2.750 C ATOM 435 O GLU A 28 6.081 -1.795 2.754 1.00 3.140 O ATOM 436 CB GLU A 28 6.713 0.064 0.269 1.00 3.880 C ATOM 437 CG GLU A 28 7.729 1.051 -0.267 1.00 3.880 C ATOM 438 CD GLU A 28 7.072 2.363 -0.664 1.00 3.880 C ATOM 439 OE1 GLU A 28 5.846 2.420 -0.669 1.00 3.880 O ATOM 440 OE2 GLU A 28 7.780 3.297 -0.956 1.00 3.880 O ATOM 441 H GLU A 28 7.603 -1.730 -1.356 1.00 3.180 H ATOM 442 HA GLU A 28 8.113 -1.134 1.351 1.00 3.380 H ATOM 443 1HB GLU A 28 5.975 -0.097 -0.519 1.00 4.660 H ATOM 444 2HB GLU A 28 6.195 0.537 1.102 1.00 4.660 H ATOM 445 1HG GLU A 28 8.477 1.242 0.502 1.00 4.660 H ATOM 446 2HG GLU A 28 8.234 0.620 -1.126 1.00 4.660 H ATOM 447 N CYS A 29 5.276 -2.673 0.846 1.00 2.800 N ATOM 448 CA CYS A 29 4.126 -3.273 1.469 1.00 2.860 C ATOM 449 C CYS A 29 4.289 -4.750 1.882 1.00 3.110 C ATOM 450 O CYS A 29 3.284 -5.417 2.185 1.00 3.530 O ATOM 451 CB CYS A 29 2.960 -3.143 0.514 1.00 3.980 C ATOM 452 SG CYS A 29 2.540 -1.480 0.114 1.00 3.980 S ATOM 453 H CYS A 29 5.364 -2.733 -0.173 1.00 3.360 H ATOM 454 HA CYS A 29 3.899 -2.694 2.363 1.00 3.430 H ATOM 455 1HB CYS A 29 3.166 -3.689 -0.411 1.00 4.780 H ATOM 456 2HB CYS A 29 2.107 -3.556 0.987 1.00 4.780 H ATOM 457 HG CYS A 29 3.594 -1.337 -0.731 1.00 4.780 H ATOM 458 N GLY A 30 5.522 -5.271 1.936 1.00 3.380 N ATOM 459 CA GLY A 30 5.713 -6.645 2.414 1.00 4.110 C ATOM 460 C GLY A 30 6.549 -7.597 1.564 1.00 4.390 C ATOM 461 O GLY A 30 6.994 -8.621 2.078 1.00 4.790 O ATOM 462 H GLY A 30 6.342 -4.719 1.647 1.00 4.060 H ATOM 463 1HA GLY A 30 6.161 -6.594 3.406 1.00 4.930 H ATOM 464 2HA GLY A 30 4.740 -7.102 2.561 1.00 4.930 H ATOM 465 N ALA A 31 6.791 -7.307 0.289 1.00 4.590 N ATOM 466 CA ALA A 31 7.616 -8.218 -0.492 1.00 5.300 C ATOM 467 C ALA A 31 9.021 -8.323 0.109 1.00 5.180 C ATOM 468 O ALA A 31 9.650 -9.378 -0.002 1.00 5.560 O ATOM 469 CB ALA A 31 7.671 -7.828 -1.950 1.00 7.140 C ATOM 470 H ALA A 31 6.407 -6.478 -0.153 1.00 5.510 H ATOM 471 HA ALA A 31 7.165 -9.204 -0.448 1.00 6.360 H ATOM 472 1HB ALA A 31 8.265 -8.562 -2.479 1.00 8.560 H ATOM 473 2HB ALA A 31 6.659 -7.829 -2.330 1.00 8.560 H ATOM 474 3HB ALA A 31 8.104 -6.880 -2.087 1.00 8.560 H ATOM 475 N SER A 32 9.552 -7.235 0.706 1.00 5.000 N ATOM 476 CA SER A 32 10.880 -7.324 1.297 1.00 5.210 C ATOM 477 C SER A 32 10.812 -8.114 2.617 1.00 4.990 C ATOM 478 O SER A 32 9.894 -7.891 3.409 1.00 4.570 O ATOM 479 CB SER A 32 11.442 -5.935 1.554 1.00 7.210 C ATOM 480 OG SER A 32 11.700 -5.256 0.357 1.00 7.210 O ATOM 481 H SER A 32 9.043 -6.348 0.774 1.00 6.000 H ATOM 482 HA SER A 32 11.515 -7.821 0.574 1.00 6.250 H ATOM 483 1HB SER A 32 10.717 -5.365 2.135 1.00 8.650 H ATOM 484 2HB SER A 32 12.353 -6.006 2.148 1.00 8.650 H ATOM 485 HG SER A 32 11.965 -4.367 0.613 1.00 8.650 H ATOM 486 N PRO A 33 11.769 -9.022 2.899 1.00 5.510 N ATOM 487 CA PRO A 33 11.868 -9.776 4.135 1.00 5.580 C ATOM 488 C PRO A 33 12.345 -8.871 5.244 1.00 5.320 C ATOM 489 O PRO A 33 13.126 -7.953 4.981 1.00 5.310 O ATOM 490 CB PRO A 33 12.906 -10.848 3.799 1.00 8.370 C ATOM 491 CG PRO A 33 13.785 -10.200 2.741 1.00 8.370 C ATOM 492 CD PRO A 33 12.844 -9.310 1.932 1.00 8.370 C ATOM 493 HA PRO A 33 10.885 -10.211 4.378 1.00 6.700 H ATOM 494 1HB PRO A 33 13.467 -11.119 4.716 1.00 10.040 H ATOM 495 2HB PRO A 33 12.405 -11.759 3.448 1.00 10.040 H ATOM 496 1HG PRO A 33 14.589 -9.622 3.231 1.00 10.040 H ATOM 497 2HG PRO A 33 14.277 -10.970 2.127 1.00 10.040 H ATOM 498 1HD PRO A 33 13.383 -8.391 1.657 1.00 10.040 H ATOM 499 2HD PRO A 33 12.444 -9.854 1.055 1.00 10.040 H ATOM 500 N ASP A 34 11.972 -9.191 6.480 1.00 5.480 N ATOM 501 CA ASP A 34 12.418 -8.478 7.670 1.00 5.550 C ATOM 502 C ASP A 34 12.164 -6.995 7.474 1.00 5.110 C ATOM 503 O ASP A 34 12.997 -6.140 7.786 1.00 5.210 O ATOM 504 CB ASP A 34 13.897 -8.770 7.938 1.00 7.740 C ATOM 505 CG ASP A 34 14.140 -10.248 8.286 1.00 7.740 C ATOM 506 OD1 ASP A 34 13.418 -10.784 9.107 1.00 7.740 O ATOM 507 OD2 ASP A 34 15.041 -10.831 7.726 1.00 7.740 O ATOM 508 H ASP A 34 11.280 -9.928 6.596 1.00 6.580 H ATOM 509 HA ASP A 34 11.838 -8.826 8.523 1.00 6.660 H ATOM 510 1HB ASP A 34 14.489 -8.511 7.060 1.00 9.290 H ATOM 511 2HB ASP A 34 14.249 -8.150 8.763 1.00 9.290 H ATOM 512 N PHE A 35 10.957 -6.709 6.998 1.00 5.040 N ATOM 513 CA PHE A 35 10.539 -5.354 6.693 1.00 4.900 C ATOM 514 C PHE A 35 9.184 -4.953 7.307 1.00 4.310 C ATOM 515 O PHE A 35 8.334 -4.399 6.614 1.00 4.500 O ATOM 516 CB PHE A 35 10.510 -5.197 5.168 1.00 6.920 C ATOM 517 CG PHE A 35 10.562 -3.785 4.669 1.00 6.920 C ATOM 518 CD1 PHE A 35 11.771 -3.104 4.650 1.00 6.920 C ATOM 519 CD2 PHE A 35 9.433 -3.129 4.226 1.00 6.920 C ATOM 520 CE1 PHE A 35 11.838 -1.802 4.199 1.00 6.920 C ATOM 521 CE2 PHE A 35 9.496 -1.839 3.792 1.00 6.920 C ATOM 522 CZ PHE A 35 10.695 -1.169 3.770 1.00 6.920 C ATOM 523 H PHE A 35 10.350 -7.509 6.794 1.00 6.050 H ATOM 524 HA PHE A 35 11.294 -4.674 7.088 1.00 5.880 H ATOM 525 1HB PHE A 35 11.356 -5.742 4.744 1.00 8.300 H ATOM 526 2HB PHE A 35 9.607 -5.666 4.770 1.00 8.300 H ATOM 527 HD1 PHE A 35 12.673 -3.614 4.998 1.00 8.300 H ATOM 528 HD2 PHE A 35 8.470 -3.649 4.238 1.00 8.300 H ATOM 529 HE1 PHE A 35 12.793 -1.274 4.188 1.00 8.300 H ATOM 530 HE2 PHE A 35 8.585 -1.347 3.470 1.00 8.300 H ATOM 531 HZ PHE A 35 10.734 -0.140 3.419 1.00 8.300 H ATOM 532 N SER A 36 8.924 -5.274 8.580 1.00 4.070 N ATOM 533 CA SER A 36 7.644 -4.848 9.166 1.00 3.890 C ATOM 534 C SER A 36 7.588 -4.842 10.681 1.00 3.250 C ATOM 535 O SER A 36 8.176 -5.683 11.361 1.00 3.520 O ATOM 536 CB SER A 36 6.460 -5.643 8.709 1.00 5.520 C ATOM 537 OG SER A 36 5.317 -5.114 9.318 1.00 5.520 O ATOM 538 H SER A 36 9.620 -5.733 9.153 1.00 4.880 H ATOM 539 HA SER A 36 7.471 -3.822 8.839 1.00 4.670 H ATOM 540 1HB SER A 36 6.358 -5.616 7.627 1.00 6.620 H ATOM 541 2HB SER A 36 6.567 -6.663 9.010 1.00 6.620 H ATOM 542 HG SER A 36 4.585 -5.644 8.977 1.00 6.620 H ATOM 543 N ALA A 37 6.866 -3.856 11.199 1.00 3.070 N ATOM 544 CA ALA A 37 6.594 -3.668 12.622 1.00 3.170 C ATOM 545 C ALA A 37 5.363 -4.426 13.134 1.00 2.660 C ATOM 546 O ALA A 37 5.035 -4.321 14.319 1.00 3.180 O ATOM 547 CB ALA A 37 6.386 -2.189 12.904 1.00 4.400 C ATOM 548 H ALA A 37 6.456 -3.210 10.538 1.00 3.680 H ATOM 549 HA ALA A 37 7.463 -4.026 13.175 1.00 3.800 H ATOM 550 1HB ALA A 37 6.223 -2.044 13.971 1.00 5.280 H ATOM 551 2HB ALA A 37 7.264 -1.631 12.591 1.00 5.280 H ATOM 552 3HB ALA A 37 5.512 -1.838 12.354 1.00 5.280 H ATOM 553 N PHE A 38 4.652 -5.144 12.261 1.00 2.260 N ATOM 554 CA PHE A 38 3.397 -5.743 12.714 1.00 2.260 C ATOM 555 C PHE A 38 3.332 -7.270 12.756 1.00 1.750 C ATOM 556 O PHE A 38 3.675 -7.968 11.796 1.00 2.370 O ATOM 557 CB PHE A 38 2.278 -5.255 11.797 1.00 3.160 C ATOM 558 CG PHE A 38 2.163 -3.770 11.779 1.00 3.160 C ATOM 559 CD1 PHE A 38 2.808 -3.066 10.781 1.00 3.160 C ATOM 560 CD2 PHE A 38 1.462 -3.059 12.728 1.00 3.160 C ATOM 561 CE1 PHE A 38 2.749 -1.696 10.717 1.00 3.160 C ATOM 562 CE2 PHE A 38 1.413 -1.669 12.659 1.00 3.160 C ATOM 563 CZ PHE A 38 2.050 -1.001 11.654 1.00 3.160 C ATOM 564 H PHE A 38 4.980 -5.225 11.301 1.00 2.710 H ATOM 565 HA PHE A 38 3.195 -5.380 13.720 1.00 2.710 H ATOM 566 1HB PHE A 38 2.461 -5.591 10.790 1.00 3.800 H ATOM 567 2HB PHE A 38 1.323 -5.674 12.116 1.00 3.800 H ATOM 568 HD1 PHE A 38 3.366 -3.617 10.027 1.00 3.800 H ATOM 569 HD2 PHE A 38 0.950 -3.586 13.536 1.00 3.800 H ATOM 570 HE1 PHE A 38 3.261 -1.166 9.915 1.00 3.800 H ATOM 571 HE2 PHE A 38 0.865 -1.099 13.400 1.00 3.800 H ATOM 572 HZ PHE A 38 2.002 0.085 11.608 1.00 3.800 H ATOM 573 N ALA A 39 2.819 -7.765 13.879 1.00 1.340 N ATOM 574 CA ALA A 39 2.557 -9.178 14.111 1.00 1.440 C ATOM 575 C ALA A 39 1.044 -9.349 14.256 1.00 1.220 C ATOM 576 O ALA A 39 0.429 -8.778 15.150 1.00 1.440 O ATOM 577 CB ALA A 39 3.327 -9.674 15.319 1.00 1.980 C ATOM 578 H ALA A 39 2.598 -7.109 14.615 1.00 1.610 H ATOM 579 HA ALA A 39 2.872 -9.730 13.240 1.00 1.730 H ATOM 580 1HB ALA A 39 3.136 -10.713 15.457 1.00 2.370 H ATOM 581 2HB ALA A 39 4.392 -9.525 15.148 1.00 2.370 H ATOM 582 3HB ALA A 39 3.022 -9.123 16.202 1.00 2.370 H ATOM 583 N LEU A 40 0.434 -10.074 13.340 1.00 1.120 N ATOM 584 CA LEU A 40 -1.017 -10.177 13.305 1.00 1.070 C ATOM 585 C LEU A 40 -1.592 -11.476 13.845 1.00 0.950 C ATOM 586 O LEU A 40 -0.973 -12.543 13.802 1.00 0.990 O ATOM 587 CB LEU A 40 -1.487 -9.998 11.849 1.00 1.520 C ATOM 588 CG LEU A 40 -1.089 -8.662 11.113 1.00 1.520 C ATOM 589 CD1 LEU A 40 -1.577 -8.731 9.652 1.00 1.520 C ATOM 590 CD2 LEU A 40 -1.709 -7.463 11.819 1.00 1.520 C ATOM 591 H LEU A 40 1.002 -10.569 12.648 1.00 1.340 H ATOM 592 HA LEU A 40 -1.426 -9.378 13.920 1.00 1.280 H ATOM 593 1HB LEU A 40 -1.063 -10.813 11.272 1.00 1.820 H ATOM 594 2HB LEU A 40 -2.565 -10.097 11.819 1.00 1.820 H ATOM 595 HG LEU A 40 0.002 -8.557 11.106 1.00 1.820 H ATOM 596 1HD1 LEU A 40 -1.294 -7.816 9.130 1.00 1.820 H ATOM 597 2HD1 LEU A 40 -1.117 -9.585 9.156 1.00 1.820 H ATOM 598 3HD1 LEU A 40 -2.665 -8.839 9.632 1.00 1.820 H ATOM 599 1HD2 LEU A 40 -1.433 -6.551 11.293 1.00 1.820 H ATOM 600 2HD2 LEU A 40 -2.790 -7.581 11.805 1.00 1.820 H ATOM 601 3HD2 LEU A 40 -1.357 -7.397 12.848 1.00 1.820 H ATOM 602 N ASP A 41 -2.822 -11.405 14.334 1.00 0.990 N ATOM 603 CA ASP A 41 -3.548 -12.610 14.708 1.00 1.010 C ATOM 604 C ASP A 41 -3.665 -13.428 13.449 1.00 0.940 C ATOM 605 O ASP A 41 -3.782 -12.851 12.367 1.00 0.930 O ATOM 606 CB ASP A 41 -4.965 -12.341 15.227 1.00 1.410 C ATOM 607 CG ASP A 41 -5.625 -13.612 15.798 1.00 1.410 C ATOM 608 OD1 ASP A 41 -6.168 -14.396 15.031 1.00 1.410 O ATOM 609 OD2 ASP A 41 -5.574 -13.795 16.982 1.00 1.410 O ATOM 610 H ASP A 41 -3.285 -10.510 14.414 1.00 1.190 H ATOM 611 HA ASP A 41 -2.978 -13.167 15.454 1.00 1.210 H ATOM 612 1HB ASP A 41 -4.932 -11.601 16.013 1.00 1.690 H ATOM 613 2HB ASP A 41 -5.585 -11.941 14.429 1.00 1.690 H ATOM 614 N GLU A 42 -3.669 -14.748 13.551 1.00 1.000 N ATOM 615 CA GLU A 42 -3.810 -15.566 12.354 1.00 1.010 C ATOM 616 C GLU A 42 -5.056 -15.200 11.555 1.00 0.970 C ATOM 617 O GLU A 42 -5.035 -15.261 10.321 1.00 0.980 O ATOM 618 CB GLU A 42 -3.834 -17.042 12.718 1.00 1.410 C ATOM 619 CG GLU A 42 -3.823 -17.980 11.513 1.00 1.410 C ATOM 620 CD GLU A 42 -3.525 -19.392 11.906 1.00 1.410 C ATOM 621 OE1 GLU A 42 -3.856 -19.764 13.001 1.00 1.410 O ATOM 622 OE2 GLU A 42 -2.913 -20.090 11.121 1.00 1.410 O ATOM 623 H GLU A 42 -3.583 -15.186 14.462 1.00 1.200 H ATOM 624 HA GLU A 42 -2.942 -15.389 11.720 1.00 1.210 H ATOM 625 1HB GLU A 42 -3.003 -17.275 13.371 1.00 1.690 H ATOM 626 2HB GLU A 42 -4.747 -17.249 13.278 1.00 1.690 H ATOM 627 1HG GLU A 42 -4.804 -17.952 11.039 1.00 1.690 H ATOM 628 2HG GLU A 42 -3.098 -17.637 10.785 1.00 1.690 H ATOM 629 N VAL A 43 -6.159 -14.855 12.233 1.00 1.020 N ATOM 630 CA VAL A 43 -7.370 -14.510 11.509 1.00 1.090 C ATOM 631 C VAL A 43 -7.158 -13.222 10.731 1.00 1.040 C ATOM 632 O VAL A 43 -7.518 -13.144 9.554 1.00 1.090 O ATOM 633 CB VAL A 43 -8.568 -14.364 12.463 1.00 1.500 C ATOM 634 CG1 VAL A 43 -9.795 -13.817 11.704 1.00 1.500 C ATOM 635 CG2 VAL A 43 -8.874 -15.722 13.073 1.00 1.500 C ATOM 636 H VAL A 43 -6.145 -14.805 13.264 1.00 1.220 H ATOM 637 HA VAL A 43 -7.590 -15.310 10.803 1.00 1.310 H ATOM 638 HB VAL A 43 -8.316 -13.658 13.257 1.00 1.800 H ATOM 639 1HG1 VAL A 43 -10.630 -13.723 12.395 1.00 1.800 H ATOM 640 2HG1 VAL A 43 -9.573 -12.841 11.280 1.00 1.800 H ATOM 641 3HG1 VAL A 43 -10.063 -14.507 10.902 1.00 1.800 H ATOM 642 1HG2 VAL A 43 -9.713 -15.632 13.762 1.00 1.800 H ATOM 643 2HG2 VAL A 43 -9.125 -16.428 12.284 1.00 1.800 H ATOM 644 3HG2 VAL A 43 -7.996 -16.079 13.617 1.00 1.800 H ATOM 645 N SER A 44 -6.585 -12.215 11.391 1.00 1.010 N ATOM 646 CA SER A 44 -6.317 -10.930 10.765 1.00 1.030 C ATOM 647 C SER A 44 -5.361 -11.087 9.603 1.00 0.990 C ATOM 648 O SER A 44 -5.548 -10.473 8.554 1.00 1.050 O ATOM 649 CB SER A 44 -5.707 -9.990 11.767 1.00 1.430 C ATOM 650 OG SER A 44 -6.610 -9.684 12.779 1.00 1.430 O ATOM 651 H SER A 44 -6.346 -12.349 12.365 1.00 1.210 H ATOM 652 HA SER A 44 -7.255 -10.515 10.396 1.00 1.240 H ATOM 653 1HB SER A 44 -4.838 -10.467 12.200 1.00 1.720 H ATOM 654 2HB SER A 44 -5.368 -9.086 11.272 1.00 1.720 H ATOM 655 HG SER A 44 -7.224 -9.051 12.397 1.00 1.720 H ATOM 656 N MET A 45 -4.345 -11.928 9.776 1.00 0.920 N ATOM 657 CA MET A 45 -3.371 -12.180 8.740 1.00 0.920 C ATOM 658 C MET A 45 -4.074 -12.736 7.519 1.00 0.890 C ATOM 659 O MET A 45 -3.879 -12.231 6.404 1.00 0.920 O ATOM 660 CB MET A 45 -2.307 -13.136 9.266 1.00 1.290 C ATOM 661 CG MET A 45 -1.190 -13.527 8.288 1.00 1.290 C ATOM 662 SD MET A 45 -1.663 -14.879 7.165 1.00 1.290 S ATOM 663 CE MET A 45 -1.830 -16.297 8.257 1.00 1.290 C ATOM 664 H MET A 45 -4.247 -12.403 10.674 1.00 1.100 H ATOM 665 HA MET A 45 -2.903 -11.237 8.461 1.00 1.100 H ATOM 666 1HB MET A 45 -1.839 -12.702 10.145 1.00 1.550 H ATOM 667 2HB MET A 45 -2.800 -14.028 9.607 1.00 1.550 H ATOM 668 1HG MET A 45 -0.919 -12.659 7.684 1.00 1.550 H ATOM 669 2HG MET A 45 -0.321 -13.836 8.838 1.00 1.550 H ATOM 670 1HE MET A 45 -2.097 -17.175 7.669 1.00 1.550 H ATOM 671 2HE MET A 45 -0.898 -16.476 8.754 1.00 1.550 H ATOM 672 3HE MET A 45 -2.611 -16.121 8.991 1.00 1.550 H ATOM 673 N ASN A 46 -4.936 -13.749 7.716 1.00 0.900 N ATOM 674 CA ASN A 46 -5.650 -14.334 6.597 1.00 0.960 C ATOM 675 C ASN A 46 -6.616 -13.356 5.939 1.00 1.000 C ATOM 676 O ASN A 46 -6.744 -13.360 4.715 1.00 1.080 O ATOM 677 CB ASN A 46 -6.368 -15.595 7.032 1.00 1.320 C ATOM 678 CG ASN A 46 -5.449 -16.793 7.156 1.00 1.320 C ATOM 679 OD1 ASN A 46 -4.458 -16.917 6.425 1.00 1.320 O ATOM 680 ND2 ASN A 46 -5.757 -17.679 8.065 1.00 1.320 N ATOM 681 H ASN A 46 -5.056 -14.146 8.655 1.00 1.080 H ATOM 682 HA ASN A 46 -4.915 -14.610 5.845 1.00 1.150 H ATOM 683 1HB ASN A 46 -6.834 -15.415 8.006 1.00 1.580 H ATOM 684 2HB ASN A 46 -7.163 -15.823 6.326 1.00 1.580 H ATOM 685 1HD2 ASN A 46 -5.181 -18.488 8.191 1.00 1.580 H ATOM 686 2HD2 ASN A 46 -6.560 -17.546 8.644 1.00 1.580 H ATOM 687 N LYS A 47 -7.287 -12.496 6.712 1.00 1.020 N ATOM 688 CA LYS A 47 -8.199 -11.537 6.096 1.00 1.130 C ATOM 689 C LYS A 47 -7.462 -10.499 5.257 1.00 1.100 C ATOM 690 O LYS A 47 -7.878 -10.184 4.138 1.00 1.180 O ATOM 691 CB LYS A 47 -9.054 -10.833 7.148 1.00 1.540 C ATOM 692 CG LYS A 47 -10.129 -11.706 7.781 1.00 1.540 C ATOM 693 CD LYS A 47 -10.919 -10.935 8.831 1.00 1.540 C ATOM 694 CE LYS A 47 -12.058 -11.774 9.399 1.00 1.540 C ATOM 695 NZ LYS A 47 -12.816 -11.044 10.457 1.00 1.540 N ATOM 696 H LYS A 47 -7.203 -12.560 7.733 1.00 1.220 H ATOM 697 HA LYS A 47 -8.864 -12.083 5.428 1.00 1.360 H ATOM 698 1HB LYS A 47 -8.403 -10.478 7.950 1.00 1.850 H ATOM 699 2HB LYS A 47 -9.533 -9.962 6.705 1.00 1.850 H ATOM 700 1HG LYS A 47 -10.808 -12.061 7.007 1.00 1.850 H ATOM 701 2HG LYS A 47 -9.660 -12.570 8.249 1.00 1.850 H ATOM 702 1HD LYS A 47 -10.247 -10.653 9.645 1.00 1.850 H ATOM 703 2HD LYS A 47 -11.328 -10.027 8.390 1.00 1.850 H ATOM 704 1HE LYS A 47 -12.741 -12.034 8.593 1.00 1.850 H ATOM 705 2HE LYS A 47 -11.653 -12.686 9.820 1.00 1.850 H ATOM 706 1HZ LYS A 47 -13.561 -11.633 10.804 1.00 1.850 H ATOM 707 2HZ LYS A 47 -12.196 -10.806 11.219 1.00 1.850 H ATOM 708 3HZ LYS A 47 -13.210 -10.199 10.069 1.00 1.850 H ATOM 709 N VAL A 48 -6.343 -9.990 5.779 1.00 1.050 N ATOM 710 CA VAL A 48 -5.568 -8.985 5.077 1.00 1.120 C ATOM 711 C VAL A 48 -4.990 -9.612 3.799 1.00 1.070 C ATOM 712 O VAL A 48 -5.021 -8.985 2.720 1.00 1.140 O ATOM 713 CB VAL A 48 -4.461 -8.409 6.014 1.00 1.540 C ATOM 714 CG1 VAL A 48 -3.534 -7.492 5.264 1.00 1.540 C ATOM 715 CG2 VAL A 48 -5.103 -7.614 7.161 1.00 1.540 C ATOM 716 H VAL A 48 -6.051 -10.289 6.715 1.00 1.260 H ATOM 717 HA VAL A 48 -6.229 -8.168 4.794 1.00 1.340 H ATOM 718 HB VAL A 48 -3.877 -9.243 6.420 1.00 1.850 H ATOM 719 1HG1 VAL A 48 -2.768 -7.116 5.941 1.00 1.850 H ATOM 720 2HG1 VAL A 48 -3.077 -8.018 4.479 1.00 1.850 H ATOM 721 3HG1 VAL A 48 -4.101 -6.656 4.850 1.00 1.850 H ATOM 722 1HG2 VAL A 48 -4.325 -7.230 7.824 1.00 1.850 H ATOM 723 2HG2 VAL A 48 -5.669 -6.785 6.746 1.00 1.850 H ATOM 724 3HG2 VAL A 48 -5.771 -8.243 7.729 1.00 1.850 H ATOM 725 N THR A 49 -4.456 -10.841 3.929 1.00 1.010 N ATOM 726 CA THR A 49 -3.845 -11.579 2.834 1.00 1.040 C ATOM 727 C THR A 49 -4.849 -11.908 1.749 1.00 1.030 C ATOM 728 O THR A 49 -4.559 -11.700 0.566 1.00 1.060 O ATOM 729 CB THR A 49 -3.228 -12.917 3.320 1.00 1.440 C ATOM 730 OG1 THR A 49 -2.225 -12.670 4.306 1.00 1.440 O ATOM 731 CG2 THR A 49 -2.567 -13.632 2.133 1.00 1.440 C ATOM 732 H THR A 49 -4.444 -11.287 4.849 1.00 1.210 H ATOM 733 HA THR A 49 -3.069 -10.972 2.391 1.00 1.250 H ATOM 734 HB THR A 49 -4.006 -13.548 3.747 1.00 1.730 H ATOM 735 HG1 THR A 49 -2.672 -12.389 5.135 1.00 1.730 H ATOM 736 1HG2 THR A 49 -2.129 -14.565 2.483 1.00 1.730 H ATOM 737 2HG2 THR A 49 -3.300 -13.850 1.361 1.00 1.730 H ATOM 738 3HG2 THR A 49 -1.783 -12.996 1.718 1.00 1.730 H ATOM 739 N GLU A 50 -6.026 -12.419 2.129 1.00 1.040 N ATOM 740 CA GLU A 50 -7.025 -12.810 1.155 1.00 1.090 C ATOM 741 C GLU A 50 -7.586 -11.610 0.422 1.00 1.100 C ATOM 742 O GLU A 50 -7.771 -11.674 -0.792 1.00 1.120 O ATOM 743 CB GLU A 50 -8.154 -13.591 1.830 1.00 1.510 C ATOM 744 CG GLU A 50 -9.249 -14.120 0.887 1.00 1.510 C ATOM 745 CD GLU A 50 -8.762 -15.150 -0.131 1.00 1.510 C ATOM 746 OE1 GLU A 50 -7.665 -15.639 0.022 1.00 1.510 O ATOM 747 OE2 GLU A 50 -9.512 -15.466 -1.037 1.00 1.510 O ATOM 748 H GLU A 50 -6.221 -12.594 3.118 1.00 1.250 H ATOM 749 HA GLU A 50 -6.549 -13.462 0.426 1.00 1.310 H ATOM 750 1HB GLU A 50 -7.730 -14.444 2.360 1.00 1.810 H ATOM 751 2HB GLU A 50 -8.630 -12.955 2.579 1.00 1.810 H ATOM 752 1HG GLU A 50 -10.039 -14.565 1.487 1.00 1.810 H ATOM 753 2HG GLU A 50 -9.672 -13.274 0.361 1.00 1.810 H ATOM 754 N LYS A 51 -7.840 -10.492 1.118 1.00 1.130 N ATOM 755 CA LYS A 51 -8.345 -9.339 0.390 1.00 1.200 C ATOM 756 C LYS A 51 -7.319 -8.878 -0.628 1.00 1.170 C ATOM 757 O LYS A 51 -7.671 -8.557 -1.769 1.00 1.220 O ATOM 758 CB LYS A 51 -8.691 -8.191 1.334 1.00 1.650 C ATOM 759 CG LYS A 51 -9.932 -8.410 2.184 1.00 1.650 C ATOM 760 CD LYS A 51 -10.171 -7.223 3.106 1.00 1.650 C ATOM 761 CE LYS A 51 -11.411 -7.418 3.966 1.00 1.650 C ATOM 762 NZ LYS A 51 -11.641 -6.257 4.872 1.00 1.650 N ATOM 763 H LYS A 51 -7.713 -10.451 2.134 1.00 1.360 H ATOM 764 HA LYS A 51 -9.246 -9.634 -0.148 1.00 1.440 H ATOM 765 1HB LYS A 51 -7.852 -8.036 2.020 1.00 1.980 H ATOM 766 2HB LYS A 51 -8.820 -7.274 0.762 1.00 1.980 H ATOM 767 1HG LYS A 51 -10.795 -8.538 1.532 1.00 1.980 H ATOM 768 2HG LYS A 51 -9.813 -9.313 2.777 1.00 1.980 H ATOM 769 1HD LYS A 51 -9.303 -7.104 3.761 1.00 1.980 H ATOM 770 2HD LYS A 51 -10.286 -6.316 2.514 1.00 1.980 H ATOM 771 1HE LYS A 51 -12.279 -7.541 3.321 1.00 1.980 H ATOM 772 2HE LYS A 51 -11.288 -8.318 4.572 1.00 1.980 H ATOM 773 1HZ LYS A 51 -12.470 -6.418 5.428 1.00 1.980 H ATOM 774 2HZ LYS A 51 -10.845 -6.142 5.482 1.00 1.980 H ATOM 775 3HZ LYS A 51 -11.767 -5.419 4.322 1.00 1.980 H ATOM 776 N THR A 52 -6.044 -8.883 -0.233 1.00 1.120 N ATOM 777 CA THR A 52 -4.975 -8.456 -1.109 1.00 1.170 C ATOM 778 C THR A 52 -4.855 -9.371 -2.302 1.00 1.130 C ATOM 779 O THR A 52 -4.787 -8.902 -3.443 1.00 1.170 O ATOM 780 CB THR A 52 -3.644 -8.402 -0.346 1.00 1.620 C ATOM 781 OG1 THR A 52 -3.766 -7.463 0.740 1.00 1.620 O ATOM 782 CG2 THR A 52 -2.535 -7.950 -1.293 1.00 1.620 C ATOM 783 H THR A 52 -5.803 -9.139 0.729 1.00 1.340 H ATOM 784 HA THR A 52 -5.208 -7.478 -1.487 1.00 1.400 H ATOM 785 HB THR A 52 -3.405 -9.387 0.058 1.00 1.940 H ATOM 786 HG1 THR A 52 -4.351 -7.854 1.440 1.00 1.940 H ATOM 787 1HG2 THR A 52 -1.590 -7.894 -0.771 1.00 1.940 H ATOM 788 2HG2 THR A 52 -2.440 -8.652 -2.103 1.00 1.940 H ATOM 789 3HG2 THR A 52 -2.781 -6.981 -1.681 1.00 1.940 H ATOM 790 N HIS A 53 -4.864 -10.681 -2.062 1.00 1.120 N ATOM 791 CA HIS A 53 -4.756 -11.640 -3.136 1.00 1.180 C ATOM 792 C HIS A 53 -5.921 -11.479 -4.092 1.00 1.170 C ATOM 793 O HIS A 53 -5.732 -11.401 -5.301 1.00 1.200 O ATOM 794 CB HIS A 53 -4.716 -13.074 -2.621 1.00 1.630 C ATOM 795 CG HIS A 53 -4.580 -14.062 -3.726 1.00 1.630 C ATOM 796 ND1 HIS A 53 -3.399 -14.246 -4.415 1.00 1.630 N ATOM 797 CD2 HIS A 53 -5.477 -14.903 -4.285 1.00 1.630 C ATOM 798 CE1 HIS A 53 -3.572 -15.170 -5.342 1.00 1.630 C ATOM 799 NE2 HIS A 53 -4.825 -15.582 -5.288 1.00 1.630 N ATOM 800 H HIS A 53 -4.912 -11.019 -1.098 1.00 1.340 H ATOM 801 HA HIS A 53 -3.838 -11.463 -3.691 1.00 1.420 H ATOM 802 1HB HIS A 53 -3.880 -13.194 -1.933 1.00 1.950 H ATOM 803 2HB HIS A 53 -5.632 -13.291 -2.062 1.00 1.950 H ATOM 804 HD2 HIS A 53 -6.523 -15.013 -3.993 1.00 1.950 H ATOM 805 HE1 HIS A 53 -2.813 -15.522 -6.038 1.00 1.950 H ATOM 806 HE2 HIS A 53 -5.243 -16.284 -5.884 1.00 1.950 H ATOM 807 N ARG A 54 -7.151 -11.415 -3.580 1.00 1.190 N ATOM 808 CA ARG A 54 -8.279 -11.295 -4.490 1.00 1.270 C ATOM 809 C ARG A 54 -8.149 -10.078 -5.388 1.00 1.200 C ATOM 810 O ARG A 54 -8.365 -10.172 -6.599 1.00 1.270 O ATOM 811 CB ARG A 54 -9.585 -11.184 -3.727 1.00 1.750 C ATOM 812 CG ARG A 54 -10.048 -12.452 -3.032 1.00 1.750 C ATOM 813 CD ARG A 54 -11.287 -12.210 -2.256 1.00 1.750 C ATOM 814 NE ARG A 54 -11.731 -13.399 -1.528 1.00 1.750 N ATOM 815 CZ ARG A 54 -12.854 -13.468 -0.775 1.00 1.750 C ATOM 816 NH1 ARG A 54 -13.659 -12.421 -0.667 1.00 1.750 N ATOM 817 NH2 ARG A 54 -13.148 -14.591 -0.136 1.00 1.750 N ATOM 818 H ARG A 54 -7.305 -11.473 -2.569 1.00 1.430 H ATOM 819 HA ARG A 54 -8.311 -12.191 -5.112 1.00 1.520 H ATOM 820 1HB ARG A 54 -9.476 -10.413 -2.957 1.00 2.100 H ATOM 821 2HB ARG A 54 -10.372 -10.862 -4.403 1.00 2.100 H ATOM 822 1HG ARG A 54 -10.259 -13.211 -3.779 1.00 2.100 H ATOM 823 2HG ARG A 54 -9.281 -12.821 -2.359 1.00 2.100 H ATOM 824 1HD ARG A 54 -11.093 -11.417 -1.529 1.00 2.100 H ATOM 825 2HD ARG A 54 -12.080 -11.903 -2.934 1.00 2.100 H ATOM 826 HE ARG A 54 -11.119 -14.236 -1.558 1.00 2.100 H ATOM 827 1HH1 ARG A 54 -13.443 -11.561 -1.148 1.00 2.100 H ATOM 828 2HH1 ARG A 54 -14.495 -12.480 -0.103 1.00 2.100 H ATOM 829 1HH2 ARG A 54 -12.538 -15.400 -0.215 1.00 2.100 H ATOM 830 2HH2 ARG A 54 -13.983 -14.649 0.427 1.00 2.100 H ATOM 831 N VAL A 55 -7.755 -8.932 -4.831 1.00 1.160 N ATOM 832 CA VAL A 55 -7.636 -7.747 -5.658 1.00 1.230 C ATOM 833 C VAL A 55 -6.532 -7.918 -6.705 1.00 1.190 C ATOM 834 O VAL A 55 -6.748 -7.621 -7.887 1.00 1.250 O ATOM 835 CB VAL A 55 -7.406 -6.506 -4.762 1.00 1.690 C ATOM 836 CG1 VAL A 55 -7.082 -5.276 -5.584 1.00 1.690 C ATOM 837 CG2 VAL A 55 -8.668 -6.238 -3.952 1.00 1.690 C ATOM 838 H VAL A 55 -7.590 -8.882 -3.818 1.00 1.390 H ATOM 839 HA VAL A 55 -8.580 -7.608 -6.182 1.00 1.480 H ATOM 840 HB VAL A 55 -6.572 -6.709 -4.092 1.00 2.030 H ATOM 841 1HG1 VAL A 55 -6.933 -4.419 -4.925 1.00 2.030 H ATOM 842 2HG1 VAL A 55 -6.197 -5.445 -6.134 1.00 2.030 H ATOM 843 3HG1 VAL A 55 -7.902 -5.077 -6.264 1.00 2.030 H ATOM 844 1HG2 VAL A 55 -8.512 -5.378 -3.304 1.00 2.030 H ATOM 845 2HG2 VAL A 55 -9.495 -6.036 -4.631 1.00 2.030 H ATOM 846 3HG2 VAL A 55 -8.909 -7.105 -3.345 1.00 2.030 H ATOM 847 N LEU A 56 -5.357 -8.388 -6.286 1.00 1.180 N ATOM 848 CA LEU A 56 -4.243 -8.543 -7.202 1.00 1.340 C ATOM 849 C LEU A 56 -4.485 -9.584 -8.292 1.00 1.290 C ATOM 850 O LEU A 56 -4.152 -9.355 -9.468 1.00 1.390 O ATOM 851 CB LEU A 56 -2.997 -8.935 -6.421 1.00 1.810 C ATOM 852 CG LEU A 56 -2.358 -7.861 -5.451 1.00 1.810 C ATOM 853 CD1 LEU A 56 -1.225 -8.535 -4.721 1.00 1.810 C ATOM 854 CD2 LEU A 56 -1.885 -6.591 -6.201 1.00 1.810 C ATOM 855 H LEU A 56 -5.237 -8.634 -5.297 1.00 1.420 H ATOM 856 HA LEU A 56 -4.077 -7.604 -7.691 1.00 1.610 H ATOM 857 1HB LEU A 56 -3.294 -9.764 -5.777 1.00 2.170 H ATOM 858 2HB LEU A 56 -2.281 -9.319 -7.096 1.00 2.170 H ATOM 859 HG LEU A 56 -3.101 -7.566 -4.715 1.00 2.170 H ATOM 860 1HD1 LEU A 56 -0.786 -7.857 -4.016 1.00 2.170 H ATOM 861 2HD1 LEU A 56 -1.608 -9.404 -4.189 1.00 2.170 H ATOM 862 3HD1 LEU A 56 -0.466 -8.851 -5.432 1.00 2.170 H ATOM 863 1HD2 LEU A 56 -1.468 -5.890 -5.503 1.00 2.170 H ATOM 864 2HD2 LEU A 56 -1.143 -6.827 -6.933 1.00 2.170 H ATOM 865 3HD2 LEU A 56 -2.716 -6.130 -6.680 1.00 2.170 H ATOM 866 N ARG A 57 -5.118 -10.695 -7.922 1.00 1.270 N ATOM 867 CA ARG A 57 -5.386 -11.781 -8.843 1.00 1.390 C ATOM 868 C ARG A 57 -6.406 -11.378 -9.887 1.00 1.330 C ATOM 869 O ARG A 57 -6.229 -11.686 -11.070 1.00 1.420 O ATOM 870 CB ARG A 57 -5.871 -13.009 -8.085 1.00 1.900 C ATOM 871 CG ARG A 57 -6.230 -14.226 -8.944 1.00 1.900 C ATOM 872 CD ARG A 57 -5.070 -14.746 -9.721 1.00 1.900 C ATOM 873 NE ARG A 57 -5.422 -15.931 -10.482 1.00 1.900 N ATOM 874 CZ ARG A 57 -4.658 -16.494 -11.444 1.00 1.900 C ATOM 875 NH1 ARG A 57 -3.480 -15.979 -11.757 1.00 1.900 N ATOM 876 NH2 ARG A 57 -5.092 -17.577 -12.075 1.00 1.900 N ATOM 877 H ARG A 57 -5.373 -10.820 -6.945 1.00 1.520 H ATOM 878 HA ARG A 57 -4.448 -12.022 -9.340 1.00 1.670 H ATOM 879 1HB ARG A 57 -5.105 -13.312 -7.373 1.00 2.280 H ATOM 880 2HB ARG A 57 -6.756 -12.740 -7.503 1.00 2.280 H ATOM 881 1HG ARG A 57 -6.581 -15.025 -8.294 1.00 2.280 H ATOM 882 2HG ARG A 57 -7.016 -13.960 -9.638 1.00 2.280 H ATOM 883 1HD ARG A 57 -4.742 -13.988 -10.430 1.00 2.280 H ATOM 884 2HD ARG A 57 -4.256 -14.995 -9.039 1.00 2.280 H ATOM 885 HE ARG A 57 -6.313 -16.366 -10.281 1.00 2.280 H ATOM 886 1HH1 ARG A 57 -3.138 -15.155 -11.280 1.00 2.280 H ATOM 887 2HH1 ARG A 57 -2.916 -16.408 -12.477 1.00 2.280 H ATOM 888 1HH2 ARG A 57 -5.991 -17.974 -11.837 1.00 2.280 H ATOM 889 2HH2 ARG A 57 -4.529 -18.007 -12.795 1.00 2.280 H ATOM 890 N VAL A 58 -7.468 -10.685 -9.474 1.00 1.340 N ATOM 891 CA VAL A 58 -8.468 -10.255 -10.427 1.00 1.510 C ATOM 892 C VAL A 58 -7.855 -9.293 -11.427 1.00 1.450 C ATOM 893 O VAL A 58 -8.150 -9.380 -12.619 1.00 1.560 O ATOM 894 CB VAL A 58 -9.697 -9.661 -9.736 1.00 2.050 C ATOM 895 CG1 VAL A 58 -10.633 -9.032 -10.778 1.00 2.050 C ATOM 896 CG2 VAL A 58 -10.425 -10.787 -8.998 1.00 2.050 C ATOM 897 H VAL A 58 -7.594 -10.476 -8.479 1.00 1.610 H ATOM 898 HA VAL A 58 -8.811 -11.132 -10.970 1.00 1.810 H ATOM 899 HB VAL A 58 -9.384 -8.887 -9.027 1.00 2.460 H ATOM 900 1HG1 VAL A 58 -11.508 -8.627 -10.276 1.00 2.460 H ATOM 901 2HG1 VAL A 58 -10.125 -8.230 -11.310 1.00 2.460 H ATOM 902 3HG1 VAL A 58 -10.938 -9.801 -11.487 1.00 2.460 H ATOM 903 1HG2 VAL A 58 -11.302 -10.385 -8.493 1.00 2.460 H ATOM 904 2HG2 VAL A 58 -10.731 -11.548 -9.714 1.00 2.460 H ATOM 905 3HG2 VAL A 58 -9.764 -11.237 -8.267 1.00 2.460 H ATOM 906 N MET A 59 -7.015 -8.360 -10.969 1.00 1.470 N ATOM 907 CA MET A 59 -6.388 -7.454 -11.916 1.00 1.730 C ATOM 908 C MET A 59 -5.589 -8.197 -12.972 1.00 1.670 C ATOM 909 O MET A 59 -5.629 -7.834 -14.152 1.00 1.860 O ATOM 910 CB MET A 59 -5.493 -6.482 -11.198 1.00 2.320 C ATOM 911 CG MET A 59 -6.234 -5.475 -10.438 1.00 2.320 C ATOM 912 SD MET A 59 -5.204 -4.232 -9.859 1.00 2.320 S ATOM 913 CE MET A 59 -4.306 -4.992 -8.562 1.00 2.320 C ATOM 914 H MET A 59 -6.825 -8.273 -9.964 1.00 1.760 H ATOM 915 HA MET A 59 -7.175 -6.901 -12.423 1.00 2.080 H ATOM 916 1HB MET A 59 -4.888 -7.044 -10.495 1.00 2.780 H ATOM 917 2HB MET A 59 -4.813 -5.997 -11.892 1.00 2.780 H ATOM 918 1HG MET A 59 -7.002 -5.025 -11.061 1.00 2.780 H ATOM 919 2HG MET A 59 -6.729 -5.936 -9.594 1.00 2.780 H ATOM 920 1HE MET A 59 -3.658 -4.268 -8.079 1.00 2.780 H ATOM 921 2HE MET A 59 -4.987 -5.385 -7.852 1.00 2.780 H ATOM 922 3HE MET A 59 -3.701 -5.795 -8.962 1.00 2.780 H ATOM 923 N GLU A 60 -4.875 -9.260 -12.587 1.00 1.560 N ATOM 924 CA GLU A 60 -4.148 -10.006 -13.605 1.00 1.780 C ATOM 925 C GLU A 60 -5.133 -10.635 -14.600 1.00 1.720 C ATOM 926 O GLU A 60 -4.973 -10.512 -15.816 1.00 1.990 O ATOM 927 CB GLU A 60 -3.308 -11.106 -12.947 1.00 2.400 C ATOM 928 CG GLU A 60 -2.368 -11.864 -13.883 1.00 2.400 C ATOM 929 CD GLU A 60 -1.257 -10.985 -14.387 1.00 2.400 C ATOM 930 OE1 GLU A 60 -1.031 -9.953 -13.777 1.00 2.400 O ATOM 931 OE2 GLU A 60 -0.627 -11.334 -15.351 1.00 2.400 O ATOM 932 H GLU A 60 -4.772 -9.489 -11.590 1.00 1.870 H ATOM 933 HA GLU A 60 -3.502 -9.330 -14.148 1.00 2.140 H ATOM 934 1HB GLU A 60 -2.712 -10.671 -12.141 1.00 2.880 H ATOM 935 2HB GLU A 60 -3.976 -11.837 -12.488 1.00 2.880 H ATOM 936 1HG GLU A 60 -1.937 -12.705 -13.343 1.00 2.880 H ATOM 937 2HG GLU A 60 -2.934 -12.257 -14.727 1.00 2.880 H ATOM 938 N ILE A 61 -6.229 -11.194 -14.088 1.00 1.550 N ATOM 939 CA ILE A 61 -7.234 -11.854 -14.922 1.00 1.700 C ATOM 940 C ILE A 61 -7.865 -10.895 -15.924 1.00 1.680 C ATOM 941 O ILE A 61 -8.065 -11.239 -17.091 1.00 1.810 O ATOM 942 CB ILE A 61 -8.332 -12.502 -14.045 1.00 2.320 C ATOM 943 CG1 ILE A 61 -7.714 -13.695 -13.260 1.00 2.320 C ATOM 944 CG2 ILE A 61 -9.538 -12.947 -14.913 1.00 2.320 C ATOM 945 CD1 ILE A 61 -8.576 -14.231 -12.126 1.00 2.320 C ATOM 946 H ILE A 61 -6.316 -11.233 -13.066 1.00 1.860 H ATOM 947 HA ILE A 61 -6.739 -12.646 -15.481 1.00 2.040 H ATOM 948 HB ILE A 61 -8.675 -11.779 -13.315 1.00 2.780 H ATOM 949 1HG1 ILE A 61 -7.525 -14.506 -13.959 1.00 2.780 H ATOM 950 2HG1 ILE A 61 -6.762 -13.379 -12.841 1.00 2.780 H ATOM 951 1HG2 ILE A 61 -10.303 -13.388 -14.289 1.00 2.780 H ATOM 952 2HG2 ILE A 61 -9.972 -12.095 -15.432 1.00 2.780 H ATOM 953 3HG2 ILE A 61 -9.202 -13.680 -15.648 1.00 2.780 H ATOM 954 1HD1 ILE A 61 -8.055 -15.054 -11.644 1.00 2.780 H ATOM 955 2HD1 ILE A 61 -8.751 -13.442 -11.400 1.00 2.780 H ATOM 956 3HD1 ILE A 61 -9.524 -14.589 -12.504 1.00 2.780 H ATOM 957 N LYS A 62 -8.204 -9.702 -15.456 1.00 1.870 N ATOM 958 CA LYS A 62 -8.848 -8.675 -16.260 1.00 2.290 C ATOM 959 C LYS A 62 -7.902 -7.727 -17.008 1.00 1.850 C ATOM 960 O LYS A 62 -8.370 -6.737 -17.572 1.00 2.200 O ATOM 961 CB LYS A 62 -9.785 -7.842 -15.386 1.00 3.040 C ATOM 962 CG LYS A 62 -10.982 -8.609 -14.830 1.00 3.040 C ATOM 963 CD LYS A 62 -11.920 -7.678 -14.057 1.00 3.040 C ATOM 964 CE LYS A 62 -13.153 -8.415 -13.529 1.00 3.040 C ATOM 965 NZ LYS A 62 -14.072 -7.502 -12.778 1.00 3.040 N ATOM 966 H LYS A 62 -8.032 -9.516 -14.464 1.00 2.240 H ATOM 967 HA LYS A 62 -9.449 -9.183 -17.014 1.00 2.750 H ATOM 968 1HB LYS A 62 -9.219 -7.450 -14.535 1.00 3.650 H ATOM 969 2HB LYS A 62 -10.157 -6.992 -15.953 1.00 3.650 H ATOM 970 1HG LYS A 62 -11.523 -9.085 -15.646 1.00 3.650 H ATOM 971 2HG LYS A 62 -10.615 -9.389 -14.157 1.00 3.650 H ATOM 972 1HD LYS A 62 -11.381 -7.240 -13.219 1.00 3.650 H ATOM 973 2HD LYS A 62 -12.246 -6.872 -14.713 1.00 3.650 H ATOM 974 1HE LYS A 62 -13.696 -8.847 -14.368 1.00 3.650 H ATOM 975 2HE LYS A 62 -12.836 -9.215 -12.868 1.00 3.650 H ATOM 976 1HZ LYS A 62 -14.872 -8.025 -12.449 1.00 3.650 H ATOM 977 2HZ LYS A 62 -13.591 -7.096 -11.988 1.00 3.650 H ATOM 978 3HZ LYS A 62 -14.386 -6.762 -13.391 1.00 3.650 H ATOM 979 N GLU A 63 -6.589 -7.985 -16.994 1.00 1.860 N ATOM 980 CA GLU A 63 -5.611 -7.111 -17.651 1.00 2.180 C ATOM 981 C GLU A 63 -5.727 -5.664 -17.168 1.00 1.960 C ATOM 982 O GLU A 63 -5.630 -4.698 -17.941 1.00 2.280 O ATOM 983 CB GLU A 63 -5.748 -7.160 -19.188 1.00 2.920 C ATOM 984 CG GLU A 63 -5.518 -8.547 -19.806 1.00 2.920 C ATOM 985 CD GLU A 63 -5.523 -8.564 -21.338 1.00 2.920 C ATOM 986 OE1 GLU A 63 -5.808 -7.555 -21.940 1.00 2.920 O ATOM 987 OE2 GLU A 63 -5.234 -9.599 -21.893 1.00 2.920 O ATOM 988 H GLU A 63 -6.239 -8.829 -16.523 1.00 2.230 H ATOM 989 HA GLU A 63 -4.615 -7.471 -17.388 1.00 2.620 H ATOM 990 1HB GLU A 63 -6.739 -6.824 -19.486 1.00 3.510 H ATOM 991 2HB GLU A 63 -5.027 -6.476 -19.636 1.00 3.510 H ATOM 992 1HG GLU A 63 -4.564 -8.931 -19.452 1.00 3.510 H ATOM 993 2HG GLU A 63 -6.300 -9.216 -19.441 1.00 3.510 H ATOM 994 N ALA A 64 -5.877 -5.493 -15.862 1.00 2.100 N ATOM 995 CA ALA A 64 -5.965 -4.165 -15.287 1.00 2.380 C ATOM 996 C ALA A 64 -4.572 -3.585 -15.193 1.00 2.100 C ATOM 997 O ALA A 64 -3.905 -3.692 -14.163 1.00 1.850 O ATOM 998 CB ALA A 64 -6.622 -4.187 -13.923 1.00 3.220 C ATOM 999 H ALA A 64 -5.936 -6.322 -15.266 1.00 2.520 H ATOM 1000 HA ALA A 64 -6.555 -3.540 -15.955 1.00 2.860 H ATOM 1001 1HB ALA A 64 -6.676 -3.180 -13.518 1.00 3.860 H ATOM 1002 2HB ALA A 64 -7.628 -4.606 -14.005 1.00 3.860 H ATOM 1003 3HB ALA A 64 -6.036 -4.787 -13.293 1.00 3.860 H ATOM 1004 N VAL A 65 -4.087 -3.059 -16.303 1.00 2.430 N ATOM 1005 CA VAL A 65 -2.743 -2.510 -16.295 1.00 2.600 C ATOM 1006 C VAL A 65 -2.734 -1.035 -15.866 1.00 2.430 C ATOM 1007 O VAL A 65 -1.911 -0.636 -15.048 1.00 2.480 O ATOM 1008 CB VAL A 65 -2.046 -2.745 -17.664 1.00 3.570 C ATOM 1009 CG1 VAL A 65 -2.048 -4.257 -17.963 1.00 3.570 C ATOM 1010 CG2 VAL A 65 -2.721 -1.997 -18.807 1.00 3.570 C ATOM 1011 H VAL A 65 -4.681 -3.090 -17.137 1.00 2.920 H ATOM 1012 HA VAL A 65 -2.164 -3.046 -15.562 1.00 3.120 H ATOM 1013 HB VAL A 65 -1.010 -2.423 -17.587 1.00 4.290 H ATOM 1014 1HG1 VAL A 65 -1.525 -4.444 -18.904 1.00 4.290 H ATOM 1015 2HG1 VAL A 65 -1.561 -4.798 -17.176 1.00 4.290 H ATOM 1016 3HG1 VAL A 65 -3.068 -4.612 -18.047 1.00 4.290 H ATOM 1017 1HG2 VAL A 65 -2.187 -2.214 -19.729 1.00 4.290 H ATOM 1018 2HG2 VAL A 65 -3.755 -2.331 -18.904 1.00 4.290 H ATOM 1019 3HG2 VAL A 65 -2.696 -0.931 -18.646 1.00 4.290 H ATOM 1020 N SER A 66 -3.685 -0.239 -16.374 1.00 2.440 N ATOM 1021 CA SER A 66 -3.743 1.195 -16.087 1.00 2.530 C ATOM 1022 C SER A 66 -4.573 1.569 -14.858 1.00 2.170 C ATOM 1023 O SER A 66 -4.361 2.624 -14.261 1.00 2.340 O ATOM 1024 CB SER A 66 -4.310 1.916 -17.290 1.00 3.510 C ATOM 1025 OG SER A 66 -5.646 1.542 -17.506 1.00 3.510 O ATOM 1026 H SER A 66 -4.366 -0.624 -17.013 1.00 2.930 H ATOM 1027 HA SER A 66 -2.722 1.543 -15.924 1.00 3.040 H ATOM 1028 1HB SER A 66 -4.252 2.993 -17.129 1.00 4.210 H ATOM 1029 2HB SER A 66 -3.714 1.681 -18.169 1.00 4.210 H ATOM 1030 HG SER A 66 -5.954 2.073 -18.249 1.00 4.210 H ATOM 1031 N SER A 67 -5.482 0.683 -14.436 1.00 1.830 N ATOM 1032 CA SER A 67 -6.358 0.934 -13.282 1.00 1.710 C ATOM 1033 C SER A 67 -5.672 0.509 -11.991 1.00 1.520 C ATOM 1034 O SER A 67 -6.138 0.783 -10.877 1.00 1.410 O ATOM 1035 CB SER A 67 -7.661 0.165 -13.421 1.00 2.440 C ATOM 1036 OG SER A 67 -8.397 0.583 -14.538 1.00 2.440 O ATOM 1037 H SER A 67 -5.629 -0.152 -14.979 1.00 2.200 H ATOM 1038 HA SER A 67 -6.572 2.003 -13.229 1.00 2.050 H ATOM 1039 1HB SER A 67 -7.446 -0.896 -13.502 1.00 2.930 H ATOM 1040 2HB SER A 67 -8.255 0.311 -12.521 1.00 2.930 H ATOM 1041 HG SER A 67 -9.216 0.080 -14.520 1.00 2.930 H ATOM 1042 N LEU A 68 -4.537 -0.126 -12.168 1.00 1.590 N ATOM 1043 CA LEU A 68 -3.746 -0.709 -11.118 1.00 1.560 C ATOM 1044 C LEU A 68 -3.374 0.243 -9.975 1.00 1.480 C ATOM 1045 O LEU A 68 -3.457 -0.176 -8.817 1.00 1.420 O ATOM 1046 CB LEU A 68 -2.551 -1.387 -11.786 1.00 2.200 C ATOM 1047 CG LEU A 68 -1.506 -1.996 -10.951 1.00 2.200 C ATOM 1048 CD1 LEU A 68 -2.040 -3.037 -10.103 1.00 2.200 C ATOM 1049 CD2 LEU A 68 -0.533 -2.592 -11.867 1.00 2.200 C ATOM 1050 H LEU A 68 -4.226 -0.236 -13.125 1.00 1.910 H ATOM 1051 HA LEU A 68 -4.346 -1.505 -10.687 1.00 1.870 H ATOM 1052 1HB LEU A 68 -2.960 -2.202 -12.375 1.00 2.640 H ATOM 1053 2HB LEU A 68 -2.075 -0.728 -12.485 1.00 2.640 H ATOM 1054 HG LEU A 68 -1.051 -1.259 -10.341 1.00 2.640 H ATOM 1055 1HD1 LEU A 68 -1.239 -3.489 -9.530 1.00 2.640 H ATOM 1056 2HD1 LEU A 68 -2.765 -2.618 -9.426 1.00 2.640 H ATOM 1057 3HD1 LEU A 68 -2.498 -3.787 -10.729 1.00 2.640 H ATOM 1058 1HD2 LEU A 68 0.252 -3.072 -11.301 1.00 2.640 H ATOM 1059 2HD2 LEU A 68 -1.057 -3.332 -12.449 1.00 2.640 H ATOM 1060 3HD2 LEU A 68 -0.114 -1.831 -12.518 1.00 2.640 H ATOM 1061 N PRO A 69 -2.951 1.504 -10.203 1.00 1.540 N ATOM 1062 CA PRO A 69 -2.651 2.441 -9.142 1.00 1.560 C ATOM 1063 C PRO A 69 -3.852 2.726 -8.220 1.00 1.400 C ATOM 1064 O PRO A 69 -3.644 3.088 -7.057 1.00 1.420 O ATOM 1065 CB PRO A 69 -2.250 3.706 -9.915 1.00 2.340 C ATOM 1066 CG PRO A 69 -1.781 3.204 -11.264 1.00 2.340 C ATOM 1067 CD PRO A 69 -2.681 2.040 -11.561 1.00 2.340 C ATOM 1068 HA PRO A 69 -1.806 2.055 -8.560 1.00 1.870 H ATOM 1069 1HB PRO A 69 -3.118 4.379 -9.997 1.00 2.810 H ATOM 1070 2HB PRO A 69 -1.471 4.255 -9.367 1.00 2.810 H ATOM 1071 1HG PRO A 69 -1.876 4.003 -12.018 1.00 2.810 H ATOM 1072 2HG PRO A 69 -0.719 2.928 -11.236 1.00 2.810 H ATOM 1073 1HD PRO A 69 -3.596 2.426 -12.002 1.00 2.810 H ATOM 1074 2HD PRO A 69 -2.159 1.361 -12.211 1.00 2.810 H ATOM 1075 N SER A 70 -5.100 2.519 -8.699 1.00 1.310 N ATOM 1076 CA SER A 70 -6.272 2.784 -7.869 1.00 1.250 C ATOM 1077 C SER A 70 -6.431 1.641 -6.899 1.00 1.180 C ATOM 1078 O SER A 70 -6.710 1.836 -5.708 1.00 1.200 O ATOM 1079 CB SER A 70 -7.530 2.923 -8.713 1.00 1.770 C ATOM 1080 OG SER A 70 -7.472 4.052 -9.549 1.00 1.770 O ATOM 1081 H SER A 70 -5.295 2.186 -9.645 1.00 1.570 H ATOM 1082 HA SER A 70 -6.113 3.704 -7.308 1.00 1.500 H ATOM 1083 1HB SER A 70 -7.667 2.028 -9.314 1.00 2.130 H ATOM 1084 2HB SER A 70 -8.394 3.003 -8.056 1.00 2.130 H ATOM 1085 HG SER A 70 -8.317 4.086 -10.006 1.00 2.130 H ATOM 1086 N TYR A 71 -6.242 0.436 -7.422 1.00 1.190 N ATOM 1087 CA TYR A 71 -6.350 -0.759 -6.607 1.00 1.190 C ATOM 1088 C TYR A 71 -5.254 -0.754 -5.546 1.00 1.220 C ATOM 1089 O TYR A 71 -5.496 -1.126 -4.395 1.00 1.220 O ATOM 1090 CB TYR A 71 -6.270 -1.981 -7.482 1.00 1.670 C ATOM 1091 CG TYR A 71 -7.514 -2.190 -8.318 1.00 1.670 C ATOM 1092 CD1 TYR A 71 -7.497 -1.880 -9.666 1.00 1.670 C ATOM 1093 CD2 TYR A 71 -8.661 -2.699 -7.746 1.00 1.670 C ATOM 1094 CE1 TYR A 71 -8.602 -2.083 -10.439 1.00 1.670 C ATOM 1095 CE2 TYR A 71 -9.781 -2.899 -8.522 1.00 1.670 C ATOM 1096 CZ TYR A 71 -9.747 -2.594 -9.872 1.00 1.670 C ATOM 1097 OH TYR A 71 -10.858 -2.794 -10.657 1.00 1.670 O ATOM 1098 H TYR A 71 -6.057 0.383 -8.431 1.00 1.430 H ATOM 1099 HA TYR A 71 -7.312 -0.751 -6.097 1.00 1.430 H ATOM 1100 1HB TYR A 71 -5.420 -1.868 -8.151 1.00 2.000 H ATOM 1101 2HB TYR A 71 -6.100 -2.862 -6.877 1.00 2.000 H ATOM 1102 HD1 TYR A 71 -6.599 -1.487 -10.112 1.00 2.000 H ATOM 1103 HD2 TYR A 71 -8.683 -2.939 -6.687 1.00 2.000 H ATOM 1104 HE1 TYR A 71 -8.577 -1.846 -11.494 1.00 2.000 H ATOM 1105 HE2 TYR A 71 -10.690 -3.303 -8.075 1.00 2.000 H ATOM 1106 HH TYR A 71 -11.578 -3.126 -10.115 1.00 2.000 H ATOM 1107 N TRP A 72 -4.053 -0.302 -5.924 1.00 1.330 N ATOM 1108 CA TRP A 72 -2.969 -0.188 -4.959 1.00 1.470 C ATOM 1109 C TRP A 72 -3.270 0.828 -3.878 1.00 1.460 C ATOM 1110 O TRP A 72 -3.080 0.531 -2.697 1.00 1.530 O ATOM 1111 CB TRP A 72 -1.672 0.178 -5.645 1.00 2.000 C ATOM 1112 CG TRP A 72 -0.891 -0.975 -6.047 1.00 2.000 C ATOM 1113 CD1 TRP A 72 -0.775 -1.507 -7.258 1.00 2.000 C ATOM 1114 CD2 TRP A 72 -0.023 -1.732 -5.197 1.00 2.000 C ATOM 1115 NE1 TRP A 72 0.107 -2.565 -7.221 1.00 2.000 N ATOM 1116 CE2 TRP A 72 0.575 -2.697 -5.986 1.00 2.000 C ATOM 1117 CE3 TRP A 72 0.299 -1.660 -3.853 1.00 2.000 C ATOM 1118 CZ2 TRP A 72 1.478 -3.571 -5.490 1.00 2.000 C ATOM 1119 CZ3 TRP A 72 1.210 -2.544 -3.356 1.00 2.000 C ATOM 1120 CH2 TRP A 72 1.785 -3.465 -4.161 1.00 2.000 C ATOM 1121 H TRP A 72 -3.897 -0.056 -6.908 1.00 1.600 H ATOM 1122 HA TRP A 72 -2.836 -1.161 -4.488 1.00 1.760 H ATOM 1123 1HB TRP A 72 -1.895 0.760 -6.534 1.00 2.400 H ATOM 1124 2HB TRP A 72 -1.070 0.800 -4.989 1.00 2.400 H ATOM 1125 HD1 TRP A 72 -1.291 -1.148 -8.130 1.00 2.400 H ATOM 1126 HE1 TRP A 72 0.405 -3.155 -7.990 1.00 2.400 H ATOM 1127 HE3 TRP A 72 -0.158 -0.922 -3.220 1.00 2.400 H ATOM 1128 HZ2 TRP A 72 1.949 -4.325 -6.113 1.00 2.400 H ATOM 1129 HZ3 TRP A 72 1.465 -2.497 -2.308 1.00 2.400 H ATOM 1130 HH2 TRP A 72 2.489 -4.139 -3.741 1.00 2.400 H ATOM 1131 N SER A 73 -3.827 1.988 -4.249 1.00 1.450 N ATOM 1132 CA SER A 73 -4.155 3.001 -3.259 1.00 1.600 C ATOM 1133 C SER A 73 -5.065 2.384 -2.210 1.00 1.550 C ATOM 1134 O SER A 73 -4.834 2.543 -1.014 1.00 1.730 O ATOM 1135 CB SER A 73 -4.822 4.188 -3.924 1.00 2.180 C ATOM 1136 OG SER A 73 -5.148 5.182 -2.992 1.00 2.180 O ATOM 1137 H SER A 73 -3.958 2.214 -5.240 1.00 1.740 H ATOM 1138 HA SER A 73 -3.237 3.334 -2.778 1.00 1.920 H ATOM 1139 1HB SER A 73 -4.155 4.596 -4.684 1.00 2.620 H ATOM 1140 2HB SER A 73 -5.723 3.856 -4.432 1.00 2.620 H ATOM 1141 HG SER A 73 -5.533 5.896 -3.504 1.00 2.620 H ATOM 1142 N TRP A 74 -6.083 1.640 -2.656 1.00 1.410 N ATOM 1143 CA TRP A 74 -6.969 0.921 -1.747 1.00 1.500 C ATOM 1144 C TRP A 74 -6.242 -0.059 -0.821 1.00 1.490 C ATOM 1145 O TRP A 74 -6.407 -0.028 0.399 1.00 1.680 O ATOM 1146 CB TRP A 74 -8.023 0.159 -2.554 1.00 2.060 C ATOM 1147 CG TRP A 74 -8.780 -0.852 -1.771 1.00 2.060 C ATOM 1148 CD1 TRP A 74 -8.619 -2.209 -1.872 1.00 2.060 C ATOM 1149 CD2 TRP A 74 -9.784 -0.641 -0.762 1.00 2.060 C ATOM 1150 NE1 TRP A 74 -9.456 -2.847 -1.007 1.00 2.060 N ATOM 1151 CE2 TRP A 74 -10.180 -1.906 -0.315 1.00 2.060 C ATOM 1152 CE3 TRP A 74 -10.372 0.499 -0.206 1.00 2.060 C ATOM 1153 CZ2 TRP A 74 -11.143 -2.065 0.663 1.00 2.060 C ATOM 1154 CZ3 TRP A 74 -11.337 0.339 0.774 1.00 2.060 C ATOM 1155 CH2 TRP A 74 -11.713 -0.911 1.197 1.00 2.060 C ATOM 1156 H TRP A 74 -6.239 1.585 -3.669 1.00 1.690 H ATOM 1157 HA TRP A 74 -7.475 1.655 -1.126 1.00 1.800 H ATOM 1158 1HB TRP A 74 -8.733 0.866 -2.976 1.00 2.480 H ATOM 1159 2HB TRP A 74 -7.552 -0.345 -3.382 1.00 2.480 H ATOM 1160 HD1 TRP A 74 -7.924 -2.704 -2.547 1.00 2.480 H ATOM 1161 HE1 TRP A 74 -9.531 -3.849 -0.890 1.00 2.480 H ATOM 1162 HE3 TRP A 74 -10.078 1.490 -0.538 1.00 2.480 H ATOM 1163 HZ2 TRP A 74 -11.454 -3.049 1.013 1.00 2.480 H ATOM 1164 HZ3 TRP A 74 -11.792 1.231 1.203 1.00 2.480 H ATOM 1165 HH2 TRP A 74 -12.476 -1.000 1.969 1.00 2.480 H ATOM 1166 N LEU A 75 -5.418 -0.934 -1.381 1.00 1.360 N ATOM 1167 CA LEU A 75 -4.738 -1.944 -0.575 1.00 1.430 C ATOM 1168 C LEU A 75 -3.783 -1.332 0.464 1.00 1.510 C ATOM 1169 O LEU A 75 -3.665 -1.817 1.605 1.00 1.600 O ATOM 1170 CB LEU A 75 -3.989 -2.899 -1.508 1.00 1.970 C ATOM 1171 CG LEU A 75 -4.886 -3.817 -2.430 1.00 1.970 C ATOM 1172 CD1 LEU A 75 -3.997 -4.576 -3.458 1.00 1.970 C ATOM 1173 CD2 LEU A 75 -5.665 -4.797 -1.560 1.00 1.970 C ATOM 1174 H LEU A 75 -5.303 -0.922 -2.400 1.00 1.630 H ATOM 1175 HA LEU A 75 -5.493 -2.487 -0.019 1.00 1.720 H ATOM 1176 1HB LEU A 75 -3.332 -2.307 -2.152 1.00 2.370 H ATOM 1177 2HB LEU A 75 -3.388 -3.543 -0.885 1.00 2.370 H ATOM 1178 HG LEU A 75 -5.580 -3.202 -2.992 1.00 2.370 H ATOM 1179 1HD1 LEU A 75 -4.616 -5.195 -4.094 1.00 2.370 H ATOM 1180 2HD1 LEU A 75 -3.454 -3.855 -4.077 1.00 2.370 H ATOM 1181 3HD1 LEU A 75 -3.301 -5.205 -2.955 1.00 2.370 H ATOM 1182 1HD2 LEU A 75 -6.277 -5.432 -2.182 1.00 2.370 H ATOM 1183 2HD2 LEU A 75 -4.958 -5.393 -0.996 1.00 2.370 H ATOM 1184 3HD2 LEU A 75 -6.313 -4.278 -0.871 1.00 2.370 H ATOM 1185 N ARG A 76 -3.153 -0.219 0.098 1.00 1.610 N ATOM 1186 CA ARG A 76 -2.205 0.495 0.951 1.00 1.880 C ATOM 1187 C ARG A 76 -2.870 1.162 2.163 1.00 2.040 C ATOM 1188 O ARG A 76 -2.176 1.656 3.052 1.00 2.370 O ATOM 1189 CB ARG A 76 -1.436 1.522 0.127 1.00 2.520 C ATOM 1190 CG ARG A 76 -0.442 0.891 -0.848 1.00 2.520 C ATOM 1191 CD ARG A 76 0.128 1.847 -1.848 1.00 2.520 C ATOM 1192 NE ARG A 76 1.009 2.885 -1.279 1.00 2.520 N ATOM 1193 CZ ARG A 76 2.350 2.749 -1.049 1.00 2.520 C ATOM 1194 NH1 ARG A 76 2.977 1.626 -1.279 1.00 2.520 N ATOM 1195 NH2 ARG A 76 3.069 3.757 -0.593 1.00 2.520 N ATOM 1196 H ARG A 76 -3.291 0.117 -0.862 1.00 1.930 H ATOM 1197 HA ARG A 76 -1.483 -0.232 1.321 1.00 2.260 H ATOM 1198 1HB ARG A 76 -2.143 2.122 -0.451 1.00 3.030 H ATOM 1199 2HB ARG A 76 -0.887 2.192 0.786 1.00 3.030 H ATOM 1200 1HG ARG A 76 0.376 0.486 -0.273 1.00 3.030 H ATOM 1201 2HG ARG A 76 -0.937 0.083 -1.374 1.00 3.030 H ATOM 1202 1HD ARG A 76 0.690 1.290 -2.595 1.00 3.030 H ATOM 1203 2HD ARG A 76 -0.703 2.349 -2.346 1.00 3.030 H ATOM 1204 HE ARG A 76 0.593 3.788 -1.083 1.00 3.030 H ATOM 1205 1HH1 ARG A 76 2.479 0.816 -1.607 1.00 3.030 H ATOM 1206 2HH1 ARG A 76 3.997 1.589 -1.086 1.00 3.030 H ATOM 1207 1HH2 ARG A 76 2.644 4.651 -0.400 1.00 3.030 H ATOM 1208 2HH2 ARG A 76 4.087 3.607 -0.459 1.00 3.030 H ATOM 1209 N LYS A 77 -4.208 1.160 2.222 1.00 1.970 N ATOM 1210 CA LYS A 77 -4.943 1.732 3.341 1.00 2.270 C ATOM 1211 C LYS A 77 -5.165 0.723 4.465 1.00 2.140 C ATOM 1212 O LYS A 77 -5.830 1.043 5.453 1.00 2.490 O ATOM 1213 CB LYS A 77 -6.297 2.291 2.894 1.00 3.060 C ATOM 1214 CG LYS A 77 -6.202 3.487 1.979 1.00 3.060 C ATOM 1215 CD LYS A 77 -7.576 3.991 1.549 1.00 3.060 C ATOM 1216 CE LYS A 77 -7.445 5.196 0.616 1.00 3.060 C ATOM 1217 NZ LYS A 77 -8.777 5.715 0.167 1.00 3.060 N ATOM 1218 H LYS A 77 -4.756 0.733 1.467 1.00 2.360 H ATOM 1219 HA LYS A 77 -4.354 2.551 3.750 1.00 2.720 H ATOM 1220 1HB LYS A 77 -6.852 1.512 2.370 1.00 3.670 H ATOM 1221 2HB LYS A 77 -6.880 2.578 3.766 1.00 3.670 H ATOM 1222 1HG LYS A 77 -5.669 4.286 2.491 1.00 3.670 H ATOM 1223 2HG LYS A 77 -5.637 3.210 1.110 1.00 3.670 H ATOM 1224 1HD LYS A 77 -8.103 3.190 1.024 1.00 3.670 H ATOM 1225 2HD LYS A 77 -8.156 4.274 2.426 1.00 3.670 H ATOM 1226 1HE LYS A 77 -6.914 5.990 1.137 1.00 3.670 H ATOM 1227 2HE LYS A 77 -6.865 4.900 -0.264 1.00 3.670 H ATOM 1228 1HZ LYS A 77 -8.638 6.508 -0.446 1.00 3.670 H ATOM 1229 2HZ LYS A 77 -9.272 4.991 -0.332 1.00 3.670 H ATOM 1230 3HZ LYS A 77 -9.320 6.004 0.969 1.00 3.670 H ATOM 1231 N THR A 78 -4.623 -0.496 4.335 1.00 1.920 N ATOM 1232 CA THR A 78 -4.818 -1.495 5.382 1.00 1.970 C ATOM 1233 C THR A 78 -4.480 -0.881 6.732 1.00 2.200 C ATOM 1234 O THR A 78 -3.367 -0.398 6.969 1.00 2.840 O ATOM 1235 CB THR A 78 -3.927 -2.741 5.151 1.00 2.740 C ATOM 1236 OG1 THR A 78 -4.246 -3.349 3.876 1.00 2.740 O ATOM 1237 CG2 THR A 78 -4.143 -3.771 6.284 1.00 2.740 C ATOM 1238 H THR A 78 -4.105 -0.737 3.489 1.00 2.300 H ATOM 1239 HA THR A 78 -5.863 -1.800 5.387 1.00 2.360 H ATOM 1240 HB THR A 78 -2.880 -2.436 5.143 1.00 3.290 H ATOM 1241 HG1 THR A 78 -3.945 -2.774 3.129 1.00 3.290 H ATOM 1242 1HG2 THR A 78 -3.504 -4.628 6.110 1.00 3.290 H ATOM 1243 2HG2 THR A 78 -3.892 -3.338 7.249 1.00 3.290 H ATOM 1244 3HG2 THR A 78 -5.181 -4.087 6.289 1.00 3.290 H ATOM 1245 N LYS A 79 -5.427 -0.976 7.664 1.00 2.370 N ATOM 1246 CA LYS A 79 -5.278 -0.364 8.972 1.00 2.900 C ATOM 1247 C LYS A 79 -4.423 -1.160 9.942 1.00 2.450 C ATOM 1248 O LYS A 79 -4.886 -1.602 10.997 1.00 2.600 O ATOM 1249 CB LYS A 79 -6.661 -0.120 9.567 1.00 3.850 C ATOM 1250 CG LYS A 79 -7.498 0.889 8.773 1.00 3.850 C ATOM 1251 CD LYS A 79 -8.887 1.089 9.380 1.00 3.850 C ATOM 1252 CE LYS A 79 -9.712 2.076 8.560 1.00 3.850 C ATOM 1253 NZ LYS A 79 -11.082 2.263 9.123 1.00 3.850 N ATOM 1254 H LYS A 79 -6.294 -1.426 7.417 1.00 2.840 H ATOM 1255 HA LYS A 79 -4.798 0.604 8.828 1.00 3.480 H ATOM 1256 1HB LYS A 79 -7.210 -1.059 9.637 1.00 4.620 H ATOM 1257 2HB LYS A 79 -6.549 0.271 10.562 1.00 4.620 H ATOM 1258 1HG LYS A 79 -6.977 1.846 8.760 1.00 4.620 H ATOM 1259 2HG LYS A 79 -7.599 0.547 7.741 1.00 4.620 H ATOM 1260 1HD LYS A 79 -9.407 0.132 9.429 1.00 4.620 H ATOM 1261 2HD LYS A 79 -8.786 1.479 10.389 1.00 4.620 H ATOM 1262 1HE LYS A 79 -9.203 3.038 8.543 1.00 4.620 H ATOM 1263 2HE LYS A 79 -9.798 1.705 7.538 1.00 4.620 H ATOM 1264 1HZ LYS A 79 -11.595 2.922 8.552 1.00 4.620 H ATOM 1265 2HZ LYS A 79 -11.570 1.378 9.132 1.00 4.620 H ATOM 1266 3HZ LYS A 79 -11.015 2.619 10.067 1.00 4.620 H ATOM 1267 N LEU A 80 -3.141 -1.253 9.630 1.00 2.320 N ATOM 1268 CA LEU A 80 -2.230 -2.003 10.477 1.00 2.200 C ATOM 1269 C LEU A 80 -2.141 -1.395 11.892 1.00 2.180 C ATOM 1270 O LEU A 80 -1.983 -2.163 12.851 1.00 2.330 O ATOM 1271 CB LEU A 80 -0.877 -2.184 9.786 1.00 3.130 C ATOM 1272 CG LEU A 80 -0.889 -3.095 8.520 1.00 3.130 C ATOM 1273 CD1 LEU A 80 0.470 -3.033 7.874 1.00 3.130 C ATOM 1274 CD2 LEU A 80 -1.242 -4.562 8.885 1.00 3.130 C ATOM 1275 H LEU A 80 -2.853 -0.835 8.741 1.00 2.780 H ATOM 1276 HA LEU A 80 -2.625 -2.987 10.619 1.00 2.640 H ATOM 1277 1HB LEU A 80 -0.464 -1.235 9.496 1.00 3.750 H ATOM 1278 2HB LEU A 80 -0.214 -2.647 10.483 1.00 3.750 H ATOM 1279 HG LEU A 80 -1.614 -2.710 7.807 1.00 3.750 H ATOM 1280 1HD1 LEU A 80 0.467 -3.643 6.976 1.00 3.750 H ATOM 1281 2HD1 LEU A 80 0.703 -2.001 7.612 1.00 3.750 H ATOM 1282 3HD1 LEU A 80 1.213 -3.408 8.556 1.00 3.750 H ATOM 1283 1HD2 LEU A 80 -1.227 -5.167 7.980 1.00 3.750 H ATOM 1284 2HD2 LEU A 80 -0.502 -4.944 9.591 1.00 3.750 H ATOM 1285 3HD2 LEU A 80 -2.220 -4.641 9.324 1.00 3.750 H ATOM 1286 N PRO A 81 -2.193 -0.048 12.088 1.00 2.510 N ATOM 1287 CA PRO A 81 -2.239 0.597 13.390 1.00 2.960 C ATOM 1288 C PRO A 81 -3.477 0.200 14.214 1.00 2.540 C ATOM 1289 O PRO A 81 -3.474 0.344 15.434 1.00 2.550 O ATOM 1290 CB PRO A 81 -2.246 2.089 13.036 1.00 4.440 C ATOM 1291 CG PRO A 81 -1.589 2.167 11.680 1.00 4.440 C ATOM 1292 CD PRO A 81 -2.047 0.936 10.965 1.00 4.440 C ATOM 1293 HA PRO A 81 -1.322 0.345 13.941 1.00 3.550 H ATOM 1294 1HB PRO A 81 -3.283 2.464 13.030 1.00 5.330 H ATOM 1295 2HB PRO A 81 -1.706 2.659 13.807 1.00 5.330 H ATOM 1296 1HG PRO A 81 -1.887 3.096 11.166 1.00 5.330 H ATOM 1297 2HG PRO A 81 -0.496 2.206 11.794 1.00 5.330 H ATOM 1298 1HD PRO A 81 -3.009 1.182 10.509 1.00 5.330 H ATOM 1299 2HD PRO A 81 -1.292 0.646 10.240 1.00 5.330 H ATOM 1300 N GLU A 82 -4.546 -0.304 13.572 1.00 2.400 N ATOM 1301 CA GLU A 82 -5.724 -0.702 14.336 1.00 2.250 C ATOM 1302 C GLU A 82 -5.554 -2.166 14.715 1.00 1.980 C ATOM 1303 O GLU A 82 -5.840 -2.574 15.851 1.00 2.230 O ATOM 1304 CB GLU A 82 -7.006 -0.472 13.542 1.00 3.210 C ATOM 1305 CG GLU A 82 -7.291 1.002 13.230 1.00 3.210 C ATOM 1306 CD GLU A 82 -7.536 1.843 14.453 1.00 3.210 C ATOM 1307 OE1 GLU A 82 -8.245 1.402 15.323 1.00 3.210 O ATOM 1308 OE2 GLU A 82 -7.004 2.925 14.520 1.00 3.210 O ATOM 1309 H GLU A 82 -4.575 -0.457 12.567 1.00 2.880 H ATOM 1310 HA GLU A 82 -5.778 -0.110 15.249 1.00 2.700 H ATOM 1311 1HB GLU A 82 -6.951 -1.017 12.601 1.00 3.850 H ATOM 1312 2HB GLU A 82 -7.854 -0.869 14.098 1.00 3.850 H ATOM 1313 1HG GLU A 82 -6.442 1.418 12.688 1.00 3.850 H ATOM 1314 2HG GLU A 82 -8.161 1.055 12.589 1.00 3.850 H ATOM 1315 N TYR A 83 -4.984 -2.952 13.791 1.00 1.810 N ATOM 1316 CA TYR A 83 -4.735 -4.367 14.050 1.00 1.910 C ATOM 1317 C TYR A 83 -3.805 -4.441 15.267 1.00 2.030 C ATOM 1318 O TYR A 83 -3.978 -5.274 16.164 1.00 2.340 O ATOM 1319 CB TYR A 83 -4.137 -5.074 12.829 1.00 2.630 C ATOM 1320 CG TYR A 83 -5.149 -5.400 11.708 1.00 2.630 C ATOM 1321 CD1 TYR A 83 -5.091 -4.776 10.471 1.00 2.630 C ATOM 1322 CD2 TYR A 83 -6.140 -6.328 11.938 1.00 2.630 C ATOM 1323 CE1 TYR A 83 -6.004 -5.072 9.496 1.00 2.630 C ATOM 1324 CE2 TYR A 83 -7.058 -6.629 10.960 1.00 2.630 C ATOM 1325 CZ TYR A 83 -6.993 -6.007 9.745 1.00 2.630 C ATOM 1326 OH TYR A 83 -7.923 -6.303 8.779 1.00 2.630 O ATOM 1327 H TYR A 83 -4.775 -2.555 12.872 1.00 2.170 H ATOM 1328 HA TYR A 83 -5.674 -4.851 14.308 1.00 2.290 H ATOM 1329 1HB TYR A 83 -3.343 -4.462 12.407 1.00 3.160 H ATOM 1330 2HB TYR A 83 -3.693 -5.990 13.159 1.00 3.160 H ATOM 1331 HD1 TYR A 83 -4.346 -4.057 10.263 1.00 3.160 H ATOM 1332 HD2 TYR A 83 -6.203 -6.819 12.892 1.00 3.160 H ATOM 1333 HE1 TYR A 83 -5.951 -4.573 8.534 1.00 3.160 H ATOM 1334 HE2 TYR A 83 -7.842 -7.360 11.151 1.00 3.160 H ATOM 1335 HH TYR A 83 -7.703 -5.841 7.969 1.00 3.160 H ATOM 1336 N THR A 84 -2.874 -3.493 15.340 1.00 2.250 N ATOM 1337 CA THR A 84 -1.931 -3.352 16.443 1.00 2.570 C ATOM 1338 C THR A 84 -2.617 -3.387 17.818 1.00 2.490 C ATOM 1339 O THR A 84 -2.002 -3.778 18.812 1.00 2.940 O ATOM 1340 CB THR A 84 -1.120 -2.056 16.295 1.00 3.470 C ATOM 1341 OG1 THR A 84 -0.394 -2.113 15.079 1.00 3.470 O ATOM 1342 CG2 THR A 84 -0.132 -1.880 17.439 1.00 3.470 C ATOM 1343 H THR A 84 -2.782 -2.853 14.549 1.00 2.700 H ATOM 1344 HA THR A 84 -1.233 -4.176 16.389 1.00 3.080 H ATOM 1345 HB THR A 84 -1.788 -1.211 16.274 1.00 4.160 H ATOM 1346 HG1 THR A 84 -1.006 -2.129 14.311 1.00 4.160 H ATOM 1347 1HG2 THR A 84 0.429 -0.962 17.280 1.00 4.160 H ATOM 1348 2HG2 THR A 84 -0.650 -1.812 18.388 1.00 4.160 H ATOM 1349 3HG2 THR A 84 0.553 -2.721 17.463 1.00 4.160 H ATOM 1350 N ARG A 85 -3.823 -2.814 17.938 1.00 2.230 N ATOM 1351 CA ARG A 85 -4.491 -2.782 19.225 1.00 2.580 C ATOM 1352 C ARG A 85 -5.287 -4.066 19.526 1.00 2.700 C ATOM 1353 O ARG A 85 -5.324 -4.513 20.674 1.00 3.070 O ATOM 1354 CB ARG A 85 -5.438 -1.593 19.295 1.00 3.470 C ATOM 1355 CG ARG A 85 -4.762 -0.222 19.330 1.00 3.470 C ATOM 1356 CD ARG A 85 -5.767 0.875 19.480 1.00 3.470 C ATOM 1357 NE ARG A 85 -5.149 2.209 19.556 1.00 3.470 N ATOM 1358 CZ ARG A 85 -4.853 3.004 18.494 1.00 3.470 C ATOM 1359 NH1 ARG A 85 -5.102 2.599 17.267 1.00 3.470 N ATOM 1360 NH2 ARG A 85 -4.313 4.197 18.699 1.00 3.470 N ATOM 1361 H ARG A 85 -4.338 -2.482 17.123 1.00 2.680 H ATOM 1362 HA ARG A 85 -3.733 -2.663 19.998 1.00 3.100 H ATOM 1363 1HB ARG A 85 -6.093 -1.612 18.422 1.00 4.170 H ATOM 1364 2HB ARG A 85 -6.069 -1.683 20.178 1.00 4.170 H ATOM 1365 1HG ARG A 85 -4.067 -0.177 20.166 1.00 4.170 H ATOM 1366 2HG ARG A 85 -4.215 -0.070 18.394 1.00 4.170 H ATOM 1367 1HD ARG A 85 -6.461 0.857 18.640 1.00 4.170 H ATOM 1368 2HD ARG A 85 -6.324 0.713 20.403 1.00 4.170 H ATOM 1369 HE ARG A 85 -4.940 2.568 20.480 1.00 4.170 H ATOM 1370 1HH1 ARG A 85 -5.505 1.687 17.106 1.00 4.170 H ATOM 1371 2HH1 ARG A 85 -4.891 3.188 16.471 1.00 4.170 H ATOM 1372 1HH2 ARG A 85 -4.121 4.514 19.640 1.00 4.170 H ATOM 1373 2HH2 ARG A 85 -4.093 4.791 17.912 1.00 4.170 H ATOM 1374 N GLU A 86 -5.956 -4.639 18.511 1.00 2.640 N ATOM 1375 CA GLU A 86 -6.810 -5.818 18.760 1.00 3.040 C ATOM 1376 C GLU A 86 -6.306 -7.197 18.272 1.00 2.960 C ATOM 1377 O GLU A 86 -6.647 -8.227 18.858 1.00 3.410 O ATOM 1378 CB GLU A 86 -8.190 -5.573 18.140 1.00 4.100 C ATOM 1379 CG GLU A 86 -8.964 -4.401 18.750 1.00 4.100 C ATOM 1380 CD GLU A 86 -10.319 -4.189 18.106 1.00 4.100 C ATOM 1381 OE1 GLU A 86 -10.624 -4.889 17.170 1.00 4.100 O ATOM 1382 OE2 GLU A 86 -11.043 -3.330 18.554 1.00 4.100 O ATOM 1383 H GLU A 86 -5.914 -4.194 17.587 1.00 3.170 H ATOM 1384 HA GLU A 86 -6.942 -5.895 19.838 1.00 3.650 H ATOM 1385 1HB GLU A 86 -8.074 -5.378 17.072 1.00 4.920 H ATOM 1386 2HB GLU A 86 -8.798 -6.470 18.244 1.00 4.920 H ATOM 1387 1HG GLU A 86 -9.101 -4.588 19.814 1.00 4.920 H ATOM 1388 2HG GLU A 86 -8.370 -3.494 18.643 1.00 4.920 H ATOM 1389 N ALA A 87 -5.575 -7.231 17.160 1.00 2.600 N ATOM 1390 CA ALA A 87 -5.112 -8.474 16.539 1.00 2.830 C ATOM 1391 C ALA A 87 -3.721 -8.864 16.994 1.00 2.470 C ATOM 1392 O ALA A 87 -3.381 -10.043 17.042 1.00 2.700 O ATOM 1393 CB ALA A 87 -5.112 -8.334 15.038 1.00 3.870 C ATOM 1394 H ALA A 87 -5.307 -6.352 16.740 1.00 3.120 H ATOM 1395 HA ALA A 87 -5.798 -9.269 16.829 1.00 3.400 H ATOM 1396 1HB ALA A 87 -4.804 -9.258 14.586 1.00 4.640 H ATOM 1397 2HB ALA A 87 -6.117 -8.087 14.720 1.00 4.640 H ATOM 1398 3HB ALA A 87 -4.428 -7.546 14.754 1.00 4.640 H ATOM 1399 N LEU A 88 -2.921 -7.869 17.310 1.00 2.120 N ATOM 1400 CA LEU A 88 -1.557 -8.057 17.766 1.00 1.990 C ATOM 1401 C LEU A 88 -1.639 -8.207 19.277 1.00 1.940 C ATOM 1402 O LEU A 88 -2.162 -7.332 19.949 1.00 2.680 O ATOM 1403 CB LEU A 88 -0.741 -6.827 17.339 1.00 2.840 C ATOM 1404 CG LEU A 88 0.798 -6.821 17.507 1.00 2.840 C ATOM 1405 CD1 LEU A 88 1.398 -5.867 16.442 1.00 2.840 C ATOM 1406 CD2 LEU A 88 1.171 -6.335 18.894 1.00 2.840 C ATOM 1407 H LEU A 88 -3.276 -6.918 17.200 1.00 2.540 H ATOM 1408 HA LEU A 88 -1.139 -8.961 17.324 1.00 2.390 H ATOM 1409 1HB LEU A 88 -0.956 -6.640 16.289 1.00 3.410 H ATOM 1410 2HB LEU A 88 -1.117 -5.992 17.915 1.00 3.410 H ATOM 1411 HG LEU A 88 1.188 -7.817 17.348 1.00 3.410 H ATOM 1412 1HD1 LEU A 88 2.487 -5.849 16.529 1.00 3.410 H ATOM 1413 2HD1 LEU A 88 1.112 -6.210 15.454 1.00 3.410 H ATOM 1414 3HD1 LEU A 88 1.017 -4.867 16.592 1.00 3.410 H ATOM 1415 1HD2 LEU A 88 2.254 -6.323 18.998 1.00 3.410 H ATOM 1416 2HD2 LEU A 88 0.777 -5.327 19.044 1.00 3.410 H ATOM 1417 3HD2 LEU A 88 0.759 -6.981 19.635 1.00 3.410 H ATOM 1418 N CYS A 89 -1.142 -9.310 19.810 1.00 1.640 N ATOM 1419 CA CYS A 89 -1.219 -9.601 21.241 1.00 1.720 C ATOM 1420 C CYS A 89 -2.653 -9.550 21.781 1.00 1.900 C ATOM 1421 O CYS A 89 -2.908 -8.844 22.757 1.00 2.040 O ATOM 1422 CB CYS A 89 -0.353 -8.636 22.045 1.00 2.380 C ATOM 1423 SG CYS A 89 1.425 -8.791 21.740 1.00 2.380 S ATOM 1424 H CYS A 89 -0.707 -9.978 19.191 1.00 1.970 H ATOM 1425 HA CYS A 89 -0.841 -10.608 21.397 1.00 2.060 H ATOM 1426 1HB CYS A 89 -0.639 -7.607 21.823 1.00 2.850 H ATOM 1427 2HB CYS A 89 -0.530 -8.790 23.105 1.00 2.850 H ATOM 1428 N PRO A 90 -3.605 -10.314 21.197 1.00 2.140 N ATOM 1429 CA PRO A 90 -5.018 -10.381 21.552 1.00 2.470 C ATOM 1430 C PRO A 90 -5.480 -10.900 22.949 1.00 2.480 C ATOM 1431 O PRO A 90 -6.637 -10.651 23.281 1.00 2.630 O ATOM 1432 CB PRO A 90 -5.583 -11.291 20.449 1.00 3.710 C ATOM 1433 CG PRO A 90 -4.439 -12.124 19.984 1.00 3.710 C ATOM 1434 CD PRO A 90 -3.245 -11.241 20.109 1.00 3.710 C ATOM 1435 HA PRO A 90 -5.429 -9.366 21.400 1.00 2.960 H ATOM 1436 1HB PRO A 90 -6.418 -11.890 20.838 1.00 4.450 H ATOM 1437 2HB PRO A 90 -5.992 -10.668 19.633 1.00 4.450 H ATOM 1438 1HG PRO A 90 -4.376 -13.061 20.547 1.00 4.450 H ATOM 1439 2HG PRO A 90 -4.615 -12.415 18.924 1.00 4.450 H ATOM 1440 1HD PRO A 90 -2.380 -11.843 20.349 1.00 4.450 H ATOM 1441 2HD PRO A 90 -3.145 -10.726 19.198 1.00 4.450 H ATOM 1442 N PRO A 91 -4.704 -11.674 23.770 1.00 2.890 N ATOM 1443 CA PRO A 91 -5.175 -12.138 25.061 1.00 3.060 C ATOM 1444 C PRO A 91 -5.549 -10.935 25.895 1.00 2.540 C ATOM 1445 O PRO A 91 -4.917 -9.892 25.776 1.00 2.590 O ATOM 1446 CB PRO A 91 -3.952 -12.865 25.639 1.00 4.590 C ATOM 1447 CG PRO A 91 -3.156 -13.283 24.439 1.00 4.590 C ATOM 1448 CD PRO A 91 -3.343 -12.167 23.451 1.00 4.590 C ATOM 1449 HA PRO A 91 -6.032 -12.812 24.929 1.00 3.670 H ATOM 1450 1HB PRO A 91 -3.387 -12.186 26.311 1.00 5.510 H ATOM 1451 2HB PRO A 91 -4.272 -13.717 26.256 1.00 5.510 H ATOM 1452 1HG PRO A 91 -2.099 -13.410 24.731 1.00 5.510 H ATOM 1453 2HG PRO A 91 -3.503 -14.255 24.060 1.00 5.510 H ATOM 1454 1HD PRO A 91 -2.587 -11.404 23.664 1.00 5.510 H ATOM 1455 2HD PRO A 91 -3.269 -12.596 22.479 1.00 5.510 H ATOM 1456 N ALA A 92 -6.541 -11.077 26.771 1.00 2.860 N ATOM 1457 CA ALA A 92 -6.924 -9.940 27.603 1.00 3.220 C ATOM 1458 C ALA A 92 -5.732 -9.396 28.371 1.00 3.240 C ATOM 1459 O ALA A 92 -5.540 -8.180 28.435 1.00 3.910 O ATOM 1460 CB ALA A 92 -8.013 -10.343 28.577 1.00 4.360 C ATOM 1461 H ALA A 92 -7.040 -11.951 26.836 1.00 3.430 H ATOM 1462 HA ALA A 92 -7.297 -9.153 26.951 1.00 3.860 H ATOM 1463 1HB ALA A 92 -8.289 -9.483 29.151 1.00 5.240 H ATOM 1464 2HB ALA A 92 -8.880 -10.707 28.028 1.00 5.240 H ATOM 1465 3HB ALA A 92 -7.646 -11.122 29.241 1.00 5.240 H ATOM 1466 N CYS A 93 -4.931 -10.311 28.928 1.00 2.950 N ATOM 1467 CA CYS A 93 -3.749 -9.998 29.713 1.00 3.180 C ATOM 1468 C CYS A 93 -2.730 -11.129 29.575 1.00 2.730 C ATOM 1469 O CYS A 93 -3.082 -12.224 29.139 1.00 2.740 O ATOM 1470 CB CYS A 93 -4.099 -9.827 31.195 1.00 4.360 C ATOM 1471 SG CYS A 93 -5.430 -8.628 31.547 1.00 4.360 S ATOM 1472 H CYS A 93 -5.175 -11.285 28.790 1.00 3.540 H ATOM 1473 HA CYS A 93 -3.312 -9.076 29.334 1.00 3.820 H ATOM 1474 1HB CYS A 93 -4.399 -10.790 31.606 1.00 5.230 H ATOM 1475 2HB CYS A 93 -3.208 -9.508 31.740 1.00 5.230 H ATOM 1476 N ARG A 94 -1.498 -10.906 30.046 1.00 2.910 N ATOM 1477 CA ARG A 94 -0.426 -11.901 30.027 1.00 2.700 C ATOM 1478 C ARG A 94 -0.180 -12.511 28.628 1.00 2.390 C ATOM 1479 O ARG A 94 -0.392 -11.853 27.607 1.00 3.180 O ATOM 1480 CB ARG A 94 -0.740 -12.992 31.049 1.00 3.860 C ATOM 1481 CG ARG A 94 -0.759 -12.517 32.486 1.00 3.860 C ATOM 1482 CD ARG A 94 -1.103 -13.622 33.416 1.00 3.860 C ATOM 1483 NE ARG A 94 -1.157 -13.171 34.801 1.00 3.860 N ATOM 1484 CZ ARG A 94 -1.505 -13.940 35.860 1.00 3.860 C ATOM 1485 NH1 ARG A 94 -1.829 -15.208 35.689 1.00 3.860 N ATOM 1486 NH2 ARG A 94 -1.523 -13.414 37.075 1.00 3.860 N ATOM 1487 H ARG A 94 -1.239 -10.006 30.460 1.00 3.490 H ATOM 1488 HA ARG A 94 0.489 -11.400 30.347 1.00 3.240 H ATOM 1489 1HB ARG A 94 -1.690 -13.468 30.827 1.00 4.640 H ATOM 1490 2HB ARG A 94 0.022 -13.755 31.033 1.00 4.640 H ATOM 1491 1HG ARG A 94 0.223 -12.126 32.753 1.00 4.640 H ATOM 1492 2HG ARG A 94 -1.503 -11.726 32.599 1.00 4.640 H ATOM 1493 1HD ARG A 94 -2.081 -14.023 33.144 1.00 4.640 H ATOM 1494 2HD ARG A 94 -0.348 -14.405 33.335 1.00 4.640 H ATOM 1495 HE ARG A 94 -0.919 -12.203 34.980 1.00 4.640 H ATOM 1496 1HH1 ARG A 94 -1.819 -15.616 34.768 1.00 4.640 H ATOM 1497 2HH1 ARG A 94 -2.088 -15.775 36.485 1.00 4.640 H ATOM 1498 1HH2 ARG A 94 -1.277 -12.444 37.210 1.00 4.640 H ATOM 1499 2HH2 ARG A 94 -1.781 -13.982 37.870 1.00 4.640 H ATOM 1500 N GLY A 95 0.276 -13.765 28.590 1.00 1.880 N ATOM 1501 CA GLY A 95 0.667 -14.436 27.360 1.00 2.140 C ATOM 1502 C GLY A 95 1.502 -15.649 27.762 1.00 1.900 C ATOM 1503 O GLY A 95 1.289 -16.176 28.859 1.00 2.000 O ATOM 1504 H GLY A 95 0.399 -14.282 29.441 1.00 2.260 H ATOM 1505 1HA GLY A 95 -0.219 -14.753 26.809 1.00 2.570 H ATOM 1506 2HA GLY A 95 1.220 -13.754 26.736 1.00 2.570 H ATOM 1507 N SER A 96 2.430 -16.129 26.913 1.00 1.920 N ATOM 1508 CA SER A 96 2.785 -15.625 25.582 1.00 1.830 C ATOM 1509 C SER A 96 1.753 -16.076 24.556 1.00 1.880 C ATOM 1510 O SER A 96 0.868 -16.879 24.871 1.00 2.250 O ATOM 1511 CB SER A 96 4.157 -16.146 25.192 1.00 2.600 C ATOM 1512 OG SER A 96 4.127 -17.532 25.016 1.00 2.600 O ATOM 1513 H SER A 96 2.948 -16.940 27.211 1.00 2.300 H ATOM 1514 HA SER A 96 2.833 -14.537 25.593 1.00 2.200 H ATOM 1515 1HB SER A 96 4.479 -15.668 24.265 1.00 3.120 H ATOM 1516 2HB SER A 96 4.881 -15.885 25.961 1.00 3.120 H ATOM 1517 HG SER A 96 5.018 -17.791 24.677 1.00 3.120 H ATOM 1518 N THR A 97 1.812 -15.536 23.338 1.00 1.620 N ATOM 1519 CA THR A 97 0.890 -16.014 22.309 1.00 1.740 C ATOM 1520 C THR A 97 1.575 -16.189 20.958 1.00 1.510 C ATOM 1521 O THR A 97 2.776 -15.939 20.821 1.00 1.460 O ATOM 1522 CB THR A 97 -0.340 -15.111 22.168 1.00 2.390 C ATOM 1523 OG1 THR A 97 -1.304 -15.790 21.345 1.00 2.390 O ATOM 1524 CG2 THR A 97 0.038 -13.766 21.551 1.00 2.390 C ATOM 1525 H THR A 97 2.536 -14.845 23.112 1.00 1.940 H ATOM 1526 HA THR A 97 0.529 -16.998 22.610 1.00 2.090 H ATOM 1527 HB THR A 97 -0.771 -14.941 23.153 1.00 2.870 H ATOM 1528 HG1 THR A 97 -1.692 -16.504 21.874 1.00 2.870 H ATOM 1529 1HG2 THR A 97 -0.841 -13.146 21.475 1.00 2.870 H ATOM 1530 2HG2 THR A 97 0.759 -13.300 22.198 1.00 2.870 H ATOM 1531 3HG2 THR A 97 0.468 -13.896 20.567 1.00 2.870 H ATOM 1532 N THR A 98 0.806 -16.606 19.952 1.00 1.580 N ATOM 1533 CA THR A 98 1.371 -16.827 18.616 1.00 1.470 C ATOM 1534 C THR A 98 0.751 -15.912 17.580 1.00 1.300 C ATOM 1535 O THR A 98 -0.469 -15.885 17.394 1.00 1.510 O ATOM 1536 CB THR A 98 1.208 -18.292 18.148 1.00 2.100 C ATOM 1537 OG1 THR A 98 1.875 -19.164 19.069 1.00 2.100 O ATOM 1538 CG2 THR A 98 1.842 -18.476 16.742 1.00 2.100 C ATOM 1539 H THR A 98 -0.186 -16.724 20.136 1.00 1.900 H ATOM 1540 HA THR A 98 2.438 -16.605 18.647 1.00 1.760 H ATOM 1541 HB THR A 98 0.151 -18.551 18.108 1.00 2.520 H ATOM 1542 HG1 THR A 98 1.396 -19.169 19.899 1.00 2.520 H ATOM 1543 1HG2 THR A 98 1.730 -19.513 16.433 1.00 2.520 H ATOM 1544 2HG2 THR A 98 1.350 -17.834 16.011 1.00 2.520 H ATOM 1545 3HG2 THR A 98 2.902 -18.224 16.787 1.00 2.520 H ATOM 1546 N LEU A 99 1.619 -15.163 16.920 1.00 1.060 N ATOM 1547 CA LEU A 99 1.238 -14.184 15.913 1.00 0.990 C ATOM 1548 C LEU A 99 1.999 -14.438 14.635 1.00 1.050 C ATOM 1549 O LEU A 99 3.025 -15.116 14.649 1.00 1.200 O ATOM 1550 CB LEU A 99 1.535 -12.760 16.393 1.00 1.410 C ATOM 1551 CG LEU A 99 0.892 -12.314 17.728 1.00 1.410 C ATOM 1552 CD1 LEU A 99 1.422 -10.948 18.132 1.00 1.410 C ATOM 1553 CD2 LEU A 99 -0.605 -12.250 17.590 1.00 1.410 C ATOM 1554 H LEU A 99 2.610 -15.334 17.121 1.00 1.270 H ATOM 1555 HA LEU A 99 0.178 -14.286 15.690 1.00 1.190 H ATOM 1556 1HB LEU A 99 2.601 -12.673 16.492 1.00 1.700 H ATOM 1557 2HB LEU A 99 1.198 -12.072 15.618 1.00 1.700 H ATOM 1558 HG LEU A 99 1.170 -13.026 18.500 1.00 1.700 H ATOM 1559 1HD1 LEU A 99 1.007 -10.661 19.078 1.00 1.700 H ATOM 1560 2HD1 LEU A 99 2.476 -10.976 18.229 1.00 1.700 H ATOM 1561 3HD1 LEU A 99 1.151 -10.219 17.372 1.00 1.700 H ATOM 1562 1HD2 LEU A 99 -1.028 -11.953 18.518 1.00 1.700 H ATOM 1563 2HD2 LEU A 99 -0.878 -11.525 16.818 1.00 1.700 H ATOM 1564 3HD2 LEU A 99 -1.003 -13.227 17.323 1.00 1.700 H ATOM 1565 N TYR A 100 1.491 -13.932 13.524 1.00 1.080 N ATOM 1566 CA TYR A 100 2.238 -13.995 12.280 1.00 1.190 C ATOM 1567 C TYR A 100 2.986 -12.713 12.063 1.00 1.250 C ATOM 1568 O TYR A 100 2.393 -11.635 11.943 1.00 1.380 O ATOM 1569 CB TYR A 100 1.334 -14.317 11.106 1.00 1.620 C ATOM 1570 CG TYR A 100 0.942 -15.747 11.050 1.00 1.620 C ATOM 1571 CD1 TYR A 100 -0.053 -16.241 11.855 1.00 1.620 C ATOM 1572 CD2 TYR A 100 1.588 -16.575 10.151 1.00 1.620 C ATOM 1573 CE1 TYR A 100 -0.394 -17.568 11.763 1.00 1.620 C ATOM 1574 CE2 TYR A 100 1.239 -17.901 10.058 1.00 1.620 C ATOM 1575 CZ TYR A 100 0.238 -18.398 10.861 1.00 1.620 C ATOM 1576 OH TYR A 100 -0.136 -19.731 10.765 1.00 1.620 O ATOM 1577 H TYR A 100 0.593 -13.445 13.568 1.00 1.300 H ATOM 1578 HA TYR A 100 2.982 -14.776 12.355 1.00 1.430 H ATOM 1579 1HB TYR A 100 0.427 -13.713 11.175 1.00 1.950 H ATOM 1580 2HB TYR A 100 1.843 -14.060 10.176 1.00 1.950 H ATOM 1581 HD1 TYR A 100 -0.565 -15.591 12.567 1.00 1.950 H ATOM 1582 HD2 TYR A 100 2.372 -16.172 9.509 1.00 1.950 H ATOM 1583 HE1 TYR A 100 -1.160 -17.973 12.395 1.00 1.950 H ATOM 1584 HE2 TYR A 100 1.744 -18.551 9.345 1.00 1.950 H ATOM 1585 HH TYR A 100 -1.070 -19.852 11.087 1.00 1.950 H ATOM 1586 N ASN A 101 4.301 -12.819 12.001 1.00 1.220 N ATOM 1587 CA ASN A 101 5.120 -11.643 11.818 1.00 1.280 C ATOM 1588 C ASN A 101 5.075 -11.392 10.338 1.00 1.260 C ATOM 1589 O ASN A 101 5.598 -12.187 9.541 1.00 1.270 O ATOM 1590 CB ASN A 101 6.526 -11.814 12.349 1.00 1.770 C ATOM 1591 CG ASN A 101 7.310 -10.527 12.257 1.00 1.770 C ATOM 1592 OD1 ASN A 101 7.106 -9.715 11.339 1.00 1.770 O ATOM 1593 ND2 ASN A 101 8.210 -10.316 13.200 1.00 1.770 N ATOM 1594 H ASN A 101 4.728 -13.750 12.058 1.00 1.460 H ATOM 1595 HA ASN A 101 4.666 -10.788 12.312 1.00 1.540 H ATOM 1596 1HB ASN A 101 6.484 -12.129 13.387 1.00 2.120 H ATOM 1597 2HB ASN A 101 7.042 -12.592 11.781 1.00 2.120 H ATOM 1598 1HD2 ASN A 101 8.758 -9.474 13.191 1.00 2.120 H ATOM 1599 2HD2 ASN A 101 8.351 -10.987 13.927 1.00 2.120 H ATOM 1600 N CYS A 102 4.386 -10.328 9.939 1.00 1.330 N ATOM 1601 CA CYS A 102 4.121 -10.120 8.532 1.00 1.430 C ATOM 1602 C CYS A 102 5.337 -9.638 7.763 1.00 1.400 C ATOM 1603 O CYS A 102 5.276 -9.428 6.558 1.00 1.480 O ATOM 1604 CB CYS A 102 2.951 -9.196 8.308 1.00 1.960 C ATOM 1605 SG CYS A 102 3.253 -7.475 8.671 1.00 1.960 S ATOM 1606 H CYS A 102 4.026 -9.659 10.633 1.00 1.600 H ATOM 1607 HA CYS A 102 3.817 -11.062 8.109 1.00 1.720 H ATOM 1608 1HB CYS A 102 2.681 -9.310 7.280 1.00 2.350 H ATOM 1609 2HB CYS A 102 2.107 -9.530 8.919 1.00 2.350 H ATOM 1610 N SER A 103 6.445 -9.425 8.455 1.00 1.400 N ATOM 1611 CA SER A 103 7.657 -8.988 7.807 1.00 1.470 C ATOM 1612 C SER A 103 8.271 -10.045 6.899 1.00 1.480 C ATOM 1613 O SER A 103 9.442 -9.777 6.604 1.00 1.630 O ATOM 1614 CB SER A 103 8.687 -8.754 8.876 1.00 2.030 C ATOM 1615 OG SER A 103 9.110 -9.992 9.412 1.00 2.030 O ATOM 1616 H SER A 103 6.471 -9.598 9.462 1.00 1.680 H ATOM 1617 HA SER A 103 7.449 -8.089 7.225 1.00 1.760 H ATOM 1618 1HB SER A 103 9.509 -8.233 8.484 1.00 2.440 H ATOM 1619 2HB SER A 103 8.263 -8.141 9.668 1.00 2.440 H ATOM 1620 HG SER A 103 9.754 -9.780 10.096 1.00 2.440 H ATOM 1621 N THR A 104 7.950 -11.291 7.305 1.00 1.360 N ATOM 1622 CA THR A 104 8.057 -12.409 6.365 1.00 1.430 C ATOM 1623 C THR A 104 6.777 -13.247 6.182 1.00 1.420 C ATOM 1624 O THR A 104 6.756 -14.135 5.327 1.00 1.510 O ATOM 1625 CB THR A 104 9.204 -13.361 6.781 1.00 1.970 C ATOM 1626 OG1 THR A 104 8.941 -13.869 8.090 1.00 1.970 O ATOM 1627 CG2 THR A 104 10.559 -12.641 6.789 1.00 1.970 C ATOM 1628 H THR A 104 8.429 -11.533 8.170 1.00 1.630 H ATOM 1629 HA THR A 104 8.305 -11.990 5.390 1.00 1.720 H ATOM 1630 HB THR A 104 9.248 -14.193 6.077 1.00 2.370 H ATOM 1631 HG1 THR A 104 8.228 -14.511 8.046 1.00 2.370 H ATOM 1632 1HG2 THR A 104 11.338 -13.342 7.080 1.00 2.370 H ATOM 1633 2HG2 THR A 104 10.772 -12.256 5.796 1.00 2.370 H ATOM 1634 3HG2 THR A 104 10.546 -11.823 7.502 1.00 2.370 H ATOM 1635 N CYS A 105 5.727 -12.960 6.967 1.00 1.360 N ATOM 1636 CA CYS A 105 4.443 -13.685 6.999 1.00 1.410 C ATOM 1637 C CYS A 105 4.565 -15.103 7.542 1.00 1.370 C ATOM 1638 O CYS A 105 4.006 -16.053 6.988 1.00 1.420 O ATOM 1639 CB CYS A 105 3.778 -13.712 5.611 1.00 1.950 C ATOM 1640 SG CYS A 105 3.338 -12.055 4.945 1.00 1.950 S ATOM 1641 H CYS A 105 5.847 -12.231 7.667 1.00 1.630 H ATOM 1642 HA CYS A 105 3.772 -13.157 7.665 1.00 1.690 H ATOM 1643 1HB CYS A 105 4.411 -14.214 4.890 1.00 2.340 H ATOM 1644 2HB CYS A 105 2.857 -14.291 5.676 1.00 2.340 H ATOM 1645 N LYS A 106 5.285 -15.224 8.660 1.00 1.310 N ATOM 1646 CA LYS A 106 5.489 -16.515 9.318 1.00 1.290 C ATOM 1647 C LYS A 106 5.053 -16.486 10.784 1.00 1.200 C ATOM 1648 O LYS A 106 5.222 -15.478 11.479 1.00 1.160 O ATOM 1649 CB LYS A 106 6.969 -16.912 9.239 1.00 1.810 C ATOM 1650 CG LYS A 106 7.559 -17.023 7.807 1.00 1.810 C ATOM 1651 CD LYS A 106 6.998 -18.200 7.015 1.00 1.810 C ATOM 1652 CE LYS A 106 7.671 -18.309 5.650 1.00 1.810 C ATOM 1653 NZ LYS A 106 7.099 -19.419 4.828 1.00 1.810 N ATOM 1654 H LYS A 106 5.672 -14.358 9.047 1.00 1.570 H ATOM 1655 HA LYS A 106 4.883 -17.266 8.813 1.00 1.550 H ATOM 1656 1HB LYS A 106 7.564 -16.178 9.786 1.00 2.180 H ATOM 1657 2HB LYS A 106 7.109 -17.872 9.738 1.00 2.180 H ATOM 1658 1HG LYS A 106 7.333 -16.115 7.253 1.00 2.180 H ATOM 1659 2HG LYS A 106 8.641 -17.121 7.870 1.00 2.180 H ATOM 1660 1HD LYS A 106 7.147 -19.126 7.568 1.00 2.180 H ATOM 1661 2HD LYS A 106 5.930 -18.053 6.854 1.00 2.180 H ATOM 1662 1HE LYS A 106 7.539 -17.366 5.115 1.00 2.180 H ATOM 1663 2HE LYS A 106 8.735 -18.489 5.790 1.00 2.180 H ATOM 1664 1HZ LYS A 106 7.569 -19.454 3.933 1.00 2.180 H ATOM 1665 2HZ LYS A 106 7.224 -20.300 5.308 1.00 2.180 H ATOM 1666 3HZ LYS A 106 6.113 -19.250 4.681 1.00 2.180 H ATOM 1667 N GLY A 107 4.502 -17.602 11.259 1.00 1.250 N ATOM 1668 CA GLY A 107 4.087 -17.690 12.652 1.00 1.240 C ATOM 1669 C GLY A 107 5.297 -17.666 13.563 1.00 1.170 C ATOM 1670 O GLY A 107 6.329 -18.266 13.244 1.00 1.210 O ATOM 1671 H GLY A 107 4.373 -18.398 10.650 1.00 1.500 H ATOM 1672 1HA GLY A 107 3.416 -16.875 12.902 1.00 1.490 H ATOM 1673 2HA GLY A 107 3.529 -18.612 12.808 1.00 1.490 H ATOM 1674 N THR A 108 5.148 -17.038 14.721 1.00 1.190 N ATOM 1675 CA THR A 108 6.213 -16.966 15.706 1.00 1.280 C ATOM 1676 C THR A 108 5.683 -16.679 17.107 1.00 1.390 C ATOM 1677 O THR A 108 4.601 -16.097 17.281 1.00 1.380 O ATOM 1678 CB THR A 108 7.254 -15.913 15.294 1.00 1.760 C ATOM 1679 OG1 THR A 108 8.340 -15.947 16.224 1.00 1.760 O ATOM 1680 CG2 THR A 108 6.617 -14.513 15.263 1.00 1.760 C ATOM 1681 H THR A 108 4.281 -16.523 14.879 1.00 1.430 H ATOM 1682 HA THR A 108 6.714 -17.933 15.734 1.00 1.540 H ATOM 1683 HB THR A 108 7.632 -16.155 14.300 1.00 2.110 H ATOM 1684 HG1 THR A 108 9.078 -15.438 15.874 1.00 2.110 H ATOM 1685 1HG2 THR A 108 7.366 -13.787 14.967 1.00 2.110 H ATOM 1686 2HG2 THR A 108 5.791 -14.502 14.544 1.00 2.110 H ATOM 1687 3HG2 THR A 108 6.240 -14.256 16.243 1.00 2.110 H ATOM 1688 N GLU A 109 6.435 -17.097 18.119 1.00 1.660 N ATOM 1689 CA GLU A 109 6.032 -16.806 19.488 1.00 1.850 C ATOM 1690 C GLU A 109 6.332 -15.357 19.824 1.00 1.610 C ATOM 1691 O GLU A 109 7.453 -14.877 19.637 1.00 1.890 O ATOM 1692 CB GLU A 109 6.737 -17.727 20.486 1.00 2.510 C ATOM 1693 CG GLU A 109 6.265 -17.547 21.934 1.00 2.510 C ATOM 1694 CD GLU A 109 6.923 -18.481 22.891 1.00 2.510 C ATOM 1695 OE1 GLU A 109 7.791 -19.212 22.482 1.00 2.510 O ATOM 1696 OE2 GLU A 109 6.544 -18.481 24.043 1.00 2.510 O ATOM 1697 H GLU A 109 7.309 -17.571 17.925 1.00 1.990 H ATOM 1698 HA GLU A 109 4.955 -16.957 19.578 1.00 2.220 H ATOM 1699 1HB GLU A 109 6.570 -18.765 20.202 1.00 3.020 H ATOM 1700 2HB GLU A 109 7.810 -17.543 20.455 1.00 3.020 H ATOM 1701 1HG GLU A 109 6.480 -16.526 22.254 1.00 3.020 H ATOM 1702 2HG GLU A 109 5.181 -17.686 21.973 1.00 3.020 H ATOM 1703 N VAL A 110 5.336 -14.666 20.357 1.00 1.400 N ATOM 1704 CA VAL A 110 5.505 -13.274 20.708 1.00 1.330 C ATOM 1705 C VAL A 110 5.278 -13.044 22.192 1.00 1.830 C ATOM 1706 O VAL A 110 4.257 -13.428 22.788 1.00 2.080 O ATOM 1707 CB VAL A 110 4.600 -12.366 19.853 1.00 1.890 C ATOM 1708 CG1 VAL A 110 4.784 -10.885 20.264 1.00 1.890 C ATOM 1709 CG2 VAL A 110 4.969 -12.570 18.376 1.00 1.890 C ATOM 1710 H VAL A 110 4.434 -15.132 20.494 1.00 1.680 H ATOM 1711 HA VAL A 110 6.533 -12.993 20.486 1.00 1.600 H ATOM 1712 HB VAL A 110 3.551 -12.629 20.020 1.00 2.270 H ATOM 1713 1HG1 VAL A 110 4.142 -10.252 19.660 1.00 2.270 H ATOM 1714 2HG1 VAL A 110 4.529 -10.740 21.304 1.00 2.270 H ATOM 1715 3HG1 VAL A 110 5.820 -10.593 20.111 1.00 2.270 H ATOM 1716 1HG2 VAL A 110 4.372 -11.951 17.743 1.00 2.270 H ATOM 1717 2HG2 VAL A 110 6.018 -12.315 18.230 1.00 2.270 H ATOM 1718 3HG2 VAL A 110 4.811 -13.612 18.104 1.00 2.270 H ATOM 1719 N SER A 111 6.248 -12.361 22.789 1.00 2.410 N ATOM 1720 CA SER A 111 6.274 -12.059 24.211 1.00 3.050 C ATOM 1721 C SER A 111 5.302 -10.955 24.612 1.00 2.770 C ATOM 1722 O SER A 111 5.699 -9.881 25.073 1.00 2.850 O ATOM 1723 CB SER A 111 7.686 -11.652 24.605 1.00 4.010 C ATOM 1724 OG SER A 111 8.598 -12.699 24.398 1.00 4.010 O ATOM 1725 H SER A 111 7.038 -12.082 22.223 1.00 2.890 H ATOM 1726 HA SER A 111 5.999 -12.963 24.757 1.00 3.660 H ATOM 1727 1HB SER A 111 7.986 -10.784 24.019 1.00 4.820 H ATOM 1728 2HB SER A 111 7.708 -11.358 25.645 1.00 4.820 H ATOM 1729 HG SER A 111 9.450 -12.372 24.705 1.00 4.820 H ATOM 1730 N CYS A 112 4.024 -11.258 24.456 1.00 2.710 N ATOM 1731 CA CYS A 112 2.942 -10.374 24.821 1.00 2.500 C ATOM 1732 C CYS A 112 2.720 -10.621 26.298 1.00 2.950 C ATOM 1733 O CYS A 112 2.359 -11.728 26.668 1.00 3.570 O ATOM 1734 CB CYS A 112 1.683 -10.774 24.065 1.00 3.580 C ATOM 1735 SG CYS A 112 1.831 -10.709 22.255 1.00 3.580 S ATOM 1736 H CYS A 112 3.824 -12.157 24.025 1.00 3.250 H ATOM 1737 HA CYS A 112 3.215 -9.335 24.637 1.00 3.000 H ATOM 1738 1HB CYS A 112 1.418 -11.799 24.339 1.00 4.300 H ATOM 1739 2HB CYS A 112 0.863 -10.141 24.378 1.00 4.300 H ATOM 1740 N TRP A 113 2.995 -9.636 27.143 1.00 2.910 N ATOM 1741 CA TRP A 113 2.894 -9.823 28.589 1.00 3.460 C ATOM 1742 C TRP A 113 2.194 -8.774 29.464 1.00 3.390 C ATOM 1743 O TRP A 113 2.801 -8.375 30.458 1.00 3.440 O ATOM 1744 CB TRP A 113 4.273 -10.116 29.177 1.00 4.620 C ATOM 1745 CG TRP A 113 4.759 -11.473 28.833 1.00 4.620 C ATOM 1746 CD1 TRP A 113 5.694 -11.815 27.926 1.00 4.620 C ATOM 1747 CD2 TRP A 113 4.310 -12.703 29.434 1.00 4.620 C ATOM 1748 NE1 TRP A 113 5.861 -13.182 27.909 1.00 4.620 N ATOM 1749 CE2 TRP A 113 5.022 -13.734 28.831 1.00 4.620 C ATOM 1750 CE3 TRP A 113 3.373 -13.004 30.431 1.00 4.620 C ATOM 1751 CZ2 TRP A 113 4.837 -15.049 29.186 1.00 4.620 C ATOM 1752 CZ3 TRP A 113 3.190 -14.321 30.789 1.00 4.620 C ATOM 1753 CH2 TRP A 113 3.905 -15.317 30.182 1.00 4.620 C ATOM 1754 H TRP A 113 3.310 -8.752 26.767 1.00 3.490 H ATOM 1755 HA TRP A 113 2.326 -10.740 28.726 1.00 4.150 H ATOM 1756 1HB TRP A 113 4.993 -9.389 28.801 1.00 5.550 H ATOM 1757 2HB TRP A 113 4.253 -10.038 30.260 1.00 5.550 H ATOM 1758 HD1 TRP A 113 6.227 -11.106 27.310 1.00 5.550 H ATOM 1759 HE1 TRP A 113 6.502 -13.695 27.324 1.00 5.550 H ATOM 1760 HE3 TRP A 113 2.807 -12.212 30.915 1.00 5.550 H ATOM 1761 HZ2 TRP A 113 5.393 -15.860 28.717 1.00 5.550 H ATOM 1762 HZ3 TRP A 113 2.464 -14.554 31.564 1.00 5.550 H ATOM 1763 HH2 TRP A 113 3.731 -16.348 30.488 1.00 5.550 H ATOM 1764 N PRO A 114 0.998 -8.230 29.165 1.00 3.850 N ATOM 1765 CA PRO A 114 0.399 -7.235 30.037 1.00 4.200 C ATOM 1766 C PRO A 114 0.422 -7.796 31.456 1.00 4.150 C ATOM 1767 O PRO A 114 0.004 -8.937 31.688 1.00 4.430 O ATOM 1768 CB PRO A 114 -1.010 -7.109 29.469 1.00 6.300 C ATOM 1769 CG PRO A 114 -0.826 -7.432 27.980 1.00 6.300 C ATOM 1770 CD PRO A 114 0.225 -8.541 27.947 1.00 6.300 C ATOM 1771 HA PRO A 114 0.958 -6.290 29.970 1.00 5.040 H ATOM 1772 1HB PRO A 114 -1.679 -7.773 30.003 1.00 7.560 H ATOM 1773 2HB PRO A 114 -1.395 -6.091 29.638 1.00 7.560 H ATOM 1774 1HG PRO A 114 -1.789 -7.753 27.538 1.00 7.560 H ATOM 1775 2HG PRO A 114 -0.510 -6.534 27.430 1.00 7.560 H ATOM 1776 1HD PRO A 114 -0.234 -9.520 28.007 1.00 7.560 H ATOM 1777 2HD PRO A 114 0.802 -8.410 27.039 1.00 7.560 H ATOM 1778 N ARG A 115 0.863 -6.946 32.381 1.00 4.270 N ATOM 1779 CA ARG A 115 1.109 -7.236 33.796 1.00 4.560 C ATOM 1780 C ARG A 115 -0.096 -7.575 34.664 1.00 4.810 C ATOM 1781 O ARG A 115 -1.245 -7.417 34.270 1.00 4.970 O ATOM 1782 CB ARG A 115 1.869 -6.068 34.410 1.00 6.270 C ATOM 1783 CG ARG A 115 3.287 -5.910 33.854 1.00 6.270 C ATOM 1784 CD ARG A 115 4.022 -4.770 34.450 1.00 6.270 C ATOM 1785 NE ARG A 115 5.355 -4.645 33.868 1.00 6.270 N ATOM 1786 CZ ARG A 115 6.264 -3.692 34.182 1.00 6.270 C ATOM 1787 NH1 ARG A 115 5.985 -2.771 35.083 1.00 6.270 N ATOM 1788 NH2 ARG A 115 7.442 -3.689 33.577 1.00 6.270 N ATOM 1789 H ARG A 115 1.118 -6.026 32.051 1.00 5.120 H ATOM 1790 HA ARG A 115 1.777 -8.098 33.825 1.00 5.470 H ATOM 1791 1HB ARG A 115 1.330 -5.141 34.217 1.00 7.520 H ATOM 1792 2HB ARG A 115 1.944 -6.186 35.489 1.00 7.520 H ATOM 1793 1HG ARG A 115 3.853 -6.819 34.060 1.00 7.520 H ATOM 1794 2HG ARG A 115 3.242 -5.759 32.775 1.00 7.520 H ATOM 1795 1HD ARG A 115 3.474 -3.847 34.261 1.00 7.520 H ATOM 1796 2HD ARG A 115 4.126 -4.926 35.524 1.00 7.520 H ATOM 1797 HE ARG A 115 5.619 -5.330 33.168 1.00 7.520 H ATOM 1798 1HH1 ARG A 115 5.091 -2.767 35.548 1.00 7.520 H ATOM 1799 2HH1 ARG A 115 6.670 -2.063 35.312 1.00 7.520 H ATOM 1800 1HH2 ARG A 115 7.659 -4.394 32.885 1.00 7.520 H ATOM 1801 2HH2 ARG A 115 8.127 -2.982 33.804 1.00 7.520 H ATOM 1802 N LYS A 116 0.191 -8.014 35.893 1.00 5.320 N ATOM 1803 CA LYS A 116 -0.799 -8.408 36.909 1.00 6.050 C ATOM 1804 C LYS A 116 -1.813 -7.315 37.277 1.00 6.240 C ATOM 1805 O LYS A 116 -2.821 -7.592 37.919 1.00 6.680 O ATOM 1806 CB LYS A 116 -0.083 -8.876 38.179 1.00 8.180 C ATOM 1807 CG LYS A 116 0.662 -7.773 38.950 1.00 8.180 C ATOM 1808 CD LYS A 116 1.394 -8.345 40.164 1.00 8.180 C ATOM 1809 CE LYS A 116 2.113 -7.252 40.956 1.00 8.180 C ATOM 1810 NZ LYS A 116 2.851 -7.807 42.127 1.00 8.180 N ATOM 1811 H LYS A 116 1.167 -8.116 36.129 1.00 6.380 H ATOM 1812 HA LYS A 116 -1.367 -9.250 36.509 1.00 7.260 H ATOM 1813 1HB LYS A 116 -0.810 -9.321 38.858 1.00 9.810 H ATOM 1814 2HB LYS A 116 0.639 -9.650 37.922 1.00 9.810 H ATOM 1815 1HG LYS A 116 1.376 -7.275 38.296 1.00 9.810 H ATOM 1816 2HG LYS A 116 -0.056 -7.035 39.305 1.00 9.810 H ATOM 1817 1HD LYS A 116 0.674 -8.840 40.817 1.00 9.810 H ATOM 1818 2HD LYS A 116 2.126 -9.082 39.835 1.00 9.810 H ATOM 1819 1HE LYS A 116 2.819 -6.744 40.301 1.00 9.810 H ATOM 1820 2HE LYS A 116 1.378 -6.527 41.312 1.00 9.810 H ATOM 1821 1HZ LYS A 116 3.312 -7.057 42.624 1.00 9.810 H ATOM 1822 2HZ LYS A 116 2.203 -8.271 42.749 1.00 9.810 H ATOM 1823 3HZ LYS A 116 3.542 -8.471 41.808 1.00 9.810 H ATOM 1824 N ARG A 117 -1.514 -6.069 36.909 1.00 6.270 N ATOM 1825 CA ARG A 117 -2.373 -4.923 37.166 1.00 6.870 C ATOM 1826 C ARG A 117 -3.309 -4.659 35.985 1.00 6.770 C ATOM 1827 O ARG A 117 -3.936 -3.601 35.892 1.00 7.380 O ATOM 1828 CB ARG A 117 -1.557 -3.676 37.457 1.00 9.380 C ATOM 1829 CG ARG A 117 -0.600 -3.774 38.657 1.00 9.380 C ATOM 1830 CD ARG A 117 -1.315 -3.994 39.951 1.00 9.380 C ATOM 1831 NE ARG A 117 -2.204 -2.882 40.281 1.00 9.380 N ATOM 1832 CZ ARG A 117 -3.167 -2.907 41.230 1.00 9.380 C ATOM 1833 NH1 ARG A 117 -3.375 -3.995 41.946 1.00 9.380 N ATOM 1834 NH2 ARG A 117 -3.908 -1.829 41.437 1.00 9.380 N ATOM 1835 H ARG A 117 -0.658 -5.932 36.397 1.00 7.520 H ATOM 1836 HA ARG A 117 -3.000 -5.148 38.024 1.00 8.240 H ATOM 1837 1HB ARG A 117 -0.961 -3.431 36.581 1.00 11.250 H ATOM 1838 2HB ARG A 117 -2.231 -2.841 37.636 1.00 11.250 H ATOM 1839 1HG ARG A 117 0.088 -4.603 38.503 1.00 11.250 H ATOM 1840 2HG ARG A 117 -0.034 -2.847 38.739 1.00 11.250 H ATOM 1841 1HD ARG A 117 -1.889 -4.913 39.918 1.00 11.250 H ATOM 1842 2HD ARG A 117 -0.569 -4.074 40.742 1.00 11.250 H ATOM 1843 HE ARG A 117 -2.081 -2.020 39.763 1.00 11.250 H ATOM 1844 1HH1 ARG A 117 -2.814 -4.820 41.794 1.00 11.250 H ATOM 1845 2HH1 ARG A 117 -4.097 -4.004 42.655 1.00 11.250 H ATOM 1846 1HH2 ARG A 117 -3.749 -0.992 40.890 1.00 11.250 H ATOM 1847 2HH2 ARG A 117 -4.630 -1.835 42.143 1.00 11.250 H ATOM 1848 N CYS A 118 -3.338 -5.591 35.043 1.00 6.240 N ATOM 1849 CA CYS A 118 -4.214 -5.546 33.893 1.00 6.340 C ATOM 1850 C CYS A 118 -5.622 -5.938 34.316 1.00 6.990 C ATOM 1851 O CYS A 118 -5.840 -7.054 34.788 1.00 7.400 O ATOM 1852 CB CYS A 118 -3.679 -6.533 32.849 1.00 8.840 C ATOM 1853 SG CYS A 118 -4.629 -6.744 31.344 1.00 8.840 S ATOM 1854 H CYS A 118 -2.729 -6.406 35.124 1.00 7.490 H ATOM 1855 HA CYS A 118 -4.223 -4.536 33.487 1.00 7.610 H ATOM 1856 1HB CYS A 118 -2.674 -6.223 32.558 1.00 10.600 H ATOM 1857 2HB CYS A 118 -3.576 -7.509 33.320 1.00 10.600 H ATOM 1858 N PHE A 119 -6.571 -5.015 34.163 1.00 7.360 N ATOM 1859 CA PHE A 119 -7.948 -5.271 34.564 1.00 8.180 C ATOM 1860 C PHE A 119 -8.918 -4.948 33.430 1.00 8.430 C ATOM 1861 O PHE A 119 -9.378 -3.805 33.333 1.00 8.490 O ATOM 1862 CB PHE A 119 -8.337 -4.433 35.788 1.00 11.120 C ATOM 1863 CG PHE A 119 -7.502 -4.695 37.014 1.00 11.120 C ATOM 1864 CD1 PHE A 119 -6.487 -3.834 37.367 1.00 11.120 C ATOM 1865 CD2 PHE A 119 -7.717 -5.810 37.801 1.00 11.120 C ATOM 1866 CE1 PHE A 119 -5.706 -4.071 38.476 1.00 11.120 C ATOM 1867 CE2 PHE A 119 -6.930 -6.052 38.912 1.00 11.120 C ATOM 1868 CZ PHE A 119 -5.923 -5.178 39.247 1.00 11.120 C ATOM 1869 H PHE A 119 -6.310 -4.118 33.777 1.00 8.830 H ATOM 1870 HA PHE A 119 -8.042 -6.315 34.850 1.00 9.820 H ATOM 1871 1HB PHE A 119 -8.252 -3.376 35.543 1.00 13.350 H ATOM 1872 2HB PHE A 119 -9.381 -4.623 36.040 1.00 13.350 H ATOM 1873 HD1 PHE A 119 -6.294 -2.955 36.751 1.00 13.350 H ATOM 1874 HD2 PHE A 119 -8.511 -6.508 37.535 1.00 13.350 H ATOM 1875 HE1 PHE A 119 -4.909 -3.376 38.723 1.00 13.350 H ATOM 1876 HE2 PHE A 119 -7.103 -6.938 39.521 1.00 13.350 H ATOM 1877 HZ PHE A 119 -5.302 -5.370 40.115 1.00 13.350 H ATOM 1878 N PRO A 120 -9.229 -5.895 32.543 1.00 8.830 N ATOM 1879 CA PRO A 120 -10.079 -5.693 31.396 1.00 9.340 C ATOM 1880 C PRO A 120 -11.409 -5.165 31.891 1.00 9.830 C ATOM 1881 O PRO A 120 -11.914 -5.631 32.910 1.00 10.050 O ATOM 1882 CB PRO A 120 -10.205 -7.109 30.824 1.00 14.010 C ATOM 1883 CG PRO A 120 -8.942 -7.795 31.285 1.00 14.010 C ATOM 1884 CD PRO A 120 -8.688 -7.245 32.660 1.00 14.010 C ATOM 1885 HA PRO A 120 -9.602 -4.999 30.690 1.00 11.210 H ATOM 1886 1HB PRO A 120 -11.122 -7.589 31.200 1.00 16.810 H ATOM 1887 2HB PRO A 120 -10.290 -7.065 29.729 1.00 16.810 H ATOM 1888 1HG PRO A 120 -9.069 -8.885 31.297 1.00 16.810 H ATOM 1889 2HG PRO A 120 -8.110 -7.573 30.592 1.00 16.810 H ATOM 1890 1HD PRO A 120 -9.233 -7.818 33.423 1.00 16.810 H ATOM 1891 2HD PRO A 120 -7.616 -7.235 32.834 1.00 16.810 H ATOM 1892 N GLY A 121 -11.975 -4.203 31.177 1.00 10.180 N ATOM 1893 CA GLY A 121 -13.257 -3.634 31.568 1.00 10.850 C ATOM 1894 C GLY A 121 -13.134 -2.330 32.364 1.00 11.070 C ATOM 1895 O GLY A 121 -14.118 -1.595 32.478 1.00 11.570 O ATOM 1896 H GLY A 121 -11.513 -3.851 30.350 1.00 12.220 H ATOM 1897 1HA GLY A 121 -13.850 -3.450 30.673 1.00 13.020 H ATOM 1898 2HA GLY A 121 -13.807 -4.364 32.160 1.00 13.020 H ATOM 1899 N SER A 122 -11.947 -2.046 32.916 1.00 10.930 N ATOM 1900 CA SER A 122 -11.749 -0.829 33.700 1.00 11.370 C ATOM 1901 C SER A 122 -11.015 0.259 32.908 1.00 11.670 C ATOM 1902 O SER A 122 -10.163 0.965 33.459 1.00 12.380 O ATOM 1903 OXT SER A 122 -11.294 0.464 31.726 1.00 17.050 O ATOM 1904 CB SER A 122 -10.967 -1.141 34.960 1.00 15.090 C ATOM 1905 OG SER A 122 -10.695 0.034 35.675 1.00 15.090 O ATOM 1906 H SER A 122 -11.156 -2.693 32.821 1.00 13.120 H ATOM 1907 HA SER A 122 -12.726 -0.440 33.986 1.00 13.640 H ATOM 1908 1HB SER A 122 -11.538 -1.829 35.581 1.00 18.100 H ATOM 1909 2HB SER A 122 -10.034 -1.636 34.696 1.00 18.100 H ATOM 1910 HG SER A 122 -10.114 0.555 35.084 1.00 18.100 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE model05_0001.pdb label fa_atr fa_rep fa_sol fa_intra_atr_xover4 fa_intra_rep_xover4 fa_intra_sol_xover4 lk_ball lk_ball_iso lk_ball_bridge lk_ball_bridge_uncpl fa_elec fa_intra_elec hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 omega fa_dun_dev fa_dun_rot fa_dun_semi p_aa_pp hxl_tors ref rama_prepro cart_bonded total weights 1 0.55 1 1 0.55 1 0.92 -0.38 -0.33 -0.33 1 1 1 1 1 1 1.25 0.48 0.69 0.76 0.78 0.61 1 1 0.5 0.5 NA pose -639.736 73.5598 484.684 -37.8595 10.4694 24.3032 232.309 -258.334 -0.99363 -6.17512 -193.779 -27.5928 -72.5455 -23.8289 -7.84964 -9.17402 -4.19404 6.65962 8.53589 69.2742 73.9087 -14.7375 30.286 -11.1681 39.8641 108.564 -145.55 CYS:NtermProteinFull:disulfide_1 -6.19729 0.75936 3.42071 -0.04031 0.0004 0.01352 2.41905 -2.14274 -0.05415 -0.21314 -0.95616 0.40252 0 0 0 0 -0.27132 1.23604 0.35728 0.50532 0 0 0 3.6196 0 0.53736 3.39608 VAL_2 -6.96037 1.4721 1.78128 -0.32638 0.2804 0.07083 1.48089 -1.90126 -0 -0 -0.37847 -0.03763 0 0 0 0 0 0.15601 0.00293 0.06701 0 0.90105 0 1.9342 0.32801 1.04338 -0.08601 PHE_3 -10.1265 1.92262 2.65475 -0.6627 0.14577 0.33855 1.63626 -2.66536 -0.0415 -0.14851 -0.72847 -0.01564 0 0 0 0 0 0.79908 0.03647 0 2.50531 0.03676 0 1.0402 0.24081 1.27811 -1.75399 CYS:disulfide_4 -4.9612 0.91195 4.07455 -0.06044 0 0.03715 1.39633 -2.14299 -0.02023 -0.13551 -1.18738 -0.53923 0 0 0 0 -0.49289 0.08676 0.00706 0.53849 0 0.31464 0 3.6196 -0.22366 0.92967 2.15268 ARG_5 -5.43727 0.54734 4.57677 -0.55676 0.19013 0.41586 1.74685 -2.24106 -0.02117 -0.1205 -1.23149 -0.16362 0 0 0 0 0 0.16965 0.03099 2.31838 0 0.08989 0 -1.2888 0.15054 0.56154 -0.26274 LEU_6 -4.07673 0.97576 3.4568 -0.66326 0.35635 0.26415 1.76339 -1.79823 -1e-05 -5e-05 -1.35667 -0.07764 0 0 0 0 0 -0.01688 0.19212 1.29868 0 -0.18504 0 0.18072 1.24602 1.71765 3.27714 PRO_7 -2.6116 0.86825 1.62452 -0.07902 0 0.04745 0.42304 -0.7664 -0 -0 0.20925 0.5821 0 0 0 0 0 -0.18852 0.00473 0.38199 0 -0.72427 0 -2.4119 1.04022 1.51931 -0.08085 ALA_8 -4.04146 0.45199 2.28179 -0.02382 0 0 1.71783 -1.61401 -0.01432 -0.10212 -0.93144 -0.36943 0 0 0 0 0 -0.10803 0 0 0 -0.40866 0 1.8394 -0.06919 0.34728 -1.04419 HIS_D_9 -7.61005 0.87071 6.13766 -0.60891 0.02323 0.48136 2.25081 -3.18643 -0.02931 -0.19111 -1.83105 -0.5898 0 0 0 0 0 -0.06314 0.22684 0 2.28372 -0.44925 0 -0.45461 0.15123 0.47407 -2.11404 ASP_10 -3.18648 0.2016 5.7412 -0.25755 0.14145 0.93522 2.39124 -2.38818 -0.02081 -0.14496 -3.81595 -0.87913 0 0 -0.56916 -0.68927 0 -0.01804 0.03304 0 1.86673 -0.8032 0 -2.3716 0.19564 0.60738 -3.03082 LEU_11 -7.36793 0.83439 4.01543 -0.73004 0.32571 0.2964 2.17853 -2.54512 -0 -0 -1.29821 -0.06904 0 0 0 0 0 -0.02423 0.57802 1.80761 0 -0.02983 0 0.18072 -0.19709 0.57937 -1.46532 SER_12 -3.02426 0.33152 3.5455 -0.03861 0.0002 0.05443 1.86726 -1.68812 -0 -0 -2.35854 -0.47333 0 0 -0.56916 -0.68927 0 -0.05733 0.08247 0.16832 0 -0.29697 1.76124 -0.77834 -0.42289 0.44471 -2.14118 GLY_13 -1.9 0.29261 2.2094 -6e-05 0 0 0.71261 -1.07751 -0 -0 -0.47847 -0.39856 0 0 0 0 0 -0.13193 0 0 0 0.32431 0 0.83697 -0.37064 0.20023 0.21897 ARG_14 -10.2626 1.53075 9.2521 -0.7197 0.20507 0.58213 3.67048 -4.33296 -0.01752 -0.07826 -3.2432 -0.20349 0 0 -0.40889 -1.00666 0 0.73389 0.31471 2.17585 0 -0.1312 0 -1.2888 0.70711 0.72838 -1.79279 LEU_15 -3.48561 0.20246 2.73752 -0.47584 0.26136 0.0761 1.10441 -1.51374 -0 -0 -1.08882 0.49449 0 0 0 0 0 -0.02601 0.13279 0.27376 0 0.09629 0 0.18072 0.74495 1.17236 0.8872 ALA_16 -2.35343 0.29435 2.8497 -0.01034 0 0 0.99331 -1.40034 -0.00012 -0.00143 -0.75308 -0.33212 0 0 0 0 0 -0.18257 0 0 0 0.53114 0 1.8394 1.21211 0.57102 3.25759 ARG_17 -3.19403 0.23189 3.39383 -0.78224 0.10298 0.51873 1.44913 -1.63326 -0 -0 -0.8004 0.34728 0 0 0 0 0 -0.05662 0.01269 1.5073 0 -0.18689 0 -1.2888 0.96553 0.37414 0.96126 LEU_18 -7.82283 1.23057 5.10413 -0.43948 0.17237 0.09966 2.47847 -2.96961 -0.02258 -0.11654 -2.15292 0.18154 0 0 0 0 0 0.03274 0.0474 0.60174 0 -0.18552 0 0.18072 -0.21578 1.21487 -2.58104 CYS_19 -6.97402 0.80368 5.82398 -0.04371 2e-05 0.01674 2.95995 -2.99383 -0.02855 -0.15068 -2.30863 -0.40827 0 0 0 0 0 -0.05131 0.05206 0.30252 0 0.26694 0 3.6196 0.18501 1.28142 2.35293 SER_20 -3.38642 0.20527 4.32423 -0.02588 0 0.06077 1.79881 -2.07278 -0 -0 -1.68705 -0.64766 0 0 0 0 0 -0.0093 5e-05 0.55096 0 0.36212 0.60002 -0.77834 0.39383 0.43267 0.1213 GLN_21 -6.68609 0.3564 6.32659 -0.27562 0.03723 0.21125 2.58937 -3.02508 -0.00012 -0.00143 -2.73278 -0.47481 0 0 0 0 0 0.10334 0.05172 0 2.82759 -0.09472 0 -0.18838 0.12346 0.25034 -0.60173 MET_22 -10.8888 1.41448 5.67914 -0.47328 0.1916 0.33411 2.96092 -3.11813 -0 -0 -2.70637 -0.04364 0 0 0 0 0 0.0738 0.71881 2.35783 0 0.07784 0 0.60916 -0.03673 0.55449 -2.29476 GLU_23 -5.60468 0.28559 6.43519 -0.33604 0.07668 0.39628 2.58993 -2.94077 -0.0354 -0.2602 -3.0663 -0.62175 0 0 0 0 0 -0.0086 0.00476 0 3.20168 -0.08982 0 -2.7348 -0.04098 0.46045 -2.28878 ALA_24 -4.1217 0.19583 4.55703 -0.02171 0 0 2.15101 -2.35412 -0.01103 -0.07242 -1.74827 -0.34837 0 0 0 0 0 -0.02063 0 0 0 -0.22385 0 1.8394 -0.30872 0.22254 -0.26501 ARG_25 -10.1151 0.71362 8.20637 -0.46509 0.066 0.24215 3.19232 -3.77461 -0.01198 -0.13301 -2.82121 0.32136 0 0 0 0 0 0.06422 0.16398 2.06747 0 -0.09002 0 -1.2888 -0.39316 0.43127 -3.62421 GLN_26 -8.77202 0.73974 6.92313 -0.27383 0.04735 0.19224 3.40084 -3.73918 -0.04177 -0.28554 -3.10356 -0.45449 0 0 0 0 0 -0.01862 0.03169 0 2.65309 -0.06632 0 -0.18838 -0.31517 0.53207 -2.73875 LYS_27 -6.49116 0.47985 7.21798 -0.30602 0.03626 0.13521 3.24205 -3.30916 -0 -0 -3.17758 -0.00914 0 0 0 0 0 -0.00748 0.03646 1.80274 0 0.05479 0 -1.5107 -0.21687 0.4694 -1.55337 GLU_28 -4.39351 0.26066 5.08301 -0.22386 0.02221 0.30627 2.43974 -2.30243 -0.01198 -0.13301 -2.5337 -0.5996 0 0 0 -0.99306 0 -0.0043 0.03778 0 3.0272 -0.34064 0 -2.7348 -0.45117 0.45969 -3.0855 CYS_29 -6.49774 1.0065 5.08778 -0.06348 0.01819 0.02341 3.21106 -2.50561 -0.02023 -0.13551 -3.95937 -0.28097 0 0 0 0 0 0.07032 0.1552 0.27991 0 0.25035 0 3.6196 -0.41846 0.63172 0.47266 GLY_30 -4.26534 0.29937 4.39729 -8e-05 0 0 1.51468 -2.39112 -0.05593 -0.29614 -0.66189 -0.29455 0 0 0 0 0 -0.13427 0 0 0 -1.53375 0 0.83697 0.32159 0.86932 -1.39384 ALA_31 -4.47302 0.61172 2.61311 -0.02347 0 0 1.16889 -1.93067 -0 -0 -1.2287 -0.40067 0 0 0 0 0 -0.01038 0 0 0 -0.30893 0 1.8394 0.03101 0.74597 -1.36574 SER_32 -3.96587 0.4689 4.11588 -0.02776 1e-05 0.02256 1.15764 -1.85843 -0.06985 -0.2993 -0.51691 -0.09405 0 0 0 0 0 0.00265 0.0616 0.44638 0 0.20523 0.61771 -0.77834 -0.58318 0.90576 -0.18937 PRO_33 -2.95774 0.51849 1.95682 -0.20646 0.01251 0.15346 0.53829 -0.96957 -0 -0 -0.30746 -0.07208 0 0 0 0 0 -0.00186 0.00602 0.37878 0 -0.80287 0 -2.4119 -0.3936 0.87203 -3.68714 ASP_34 -2.62782 0.23813 2.90484 -0.12004 0.01779 0.37384 1.33084 -1.37418 -0.03153 -0.21609 -1.08365 -0.80235 0 0 0 0 0 -0.00347 0.0046 0 2.66929 -0.595 0 -2.3716 -0.42399 0.42567 -1.68475 PHE_35 -4.19971 0.57156 2.98172 -0.86641 0.40656 0.46328 0.966 -1.56385 -0.00641 -0.01882 -0.66258 -0.45317 0 0 0 0 0 0.01321 0.26319 0 3.73834 -0.18173 0 1.0402 0.13455 0.53009 3.15602 SER_36 -3.61278 0.4764 3.31471 -0.02769 0 0.04899 1.27212 -1.51462 -0 -0 -0.28945 -1.21663 0 0 -0.90933 0 0 -0.01739 0.01373 0.63581 0 -0.40953 0.60105 -0.77834 0.45433 0.86268 -1.09594 ALA_37 -1.60382 0.09294 0.4206 -0.02817 0.00924 0 0.18978 -0.56437 -0.01877 -0.06548 -0.0299 -0.41565 0 0 0 0 0 0.19316 0 0 0 0.12945 0 1.8394 -0.21265 0.73186 0.66762 PHE_38 -7.76086 0.79459 2.04949 -0.66124 0.07623 0.39582 2.07541 -1.92529 -0 -0 -1.64515 0.25498 0 0 -0.90933 0 0 0.11961 0.30379 0 2.10977 -0.05843 0 1.0402 -0.36453 0.62382 -3.48112 ALA_39 -4.77586 0.68339 1.40654 -0.02574 0.00073 0 1.3511 -1.56548 -0.01877 -0.06548 -0.46917 -0.42664 0 0 0 0 0 0.10563 0 0 0 0.62169 0 1.8394 0.49151 0.56478 -0.2824 LEU_40 -8.14322 0.35625 3.17058 -0.455 0.1805 0.07774 2.12051 -2.40151 -0.004 -0.04654 -2.92207 0.21147 0 0 0 0 0 0.20429 0.00685 0.4523 0 -0.36032 0 0.18072 0.43865 0.43841 -6.49439 ASP_41 -6.20706 0.45357 7.64751 -0.15524 0.00697 0.46732 3.92304 -3.41112 -0.01742 -0.10985 -4.46615 -0.99229 0 0 -0.97898 0 0 -0.03536 0 0 3.43784 0.03499 0 -2.3716 -0.38993 0.59956 -2.56418 GLU_42 -5.37991 0.47087 5.12165 -0.35302 0.04324 0.41268 1.97524 -2.4782 -0 -0 -2.39325 -0.69519 0 0 0 -0.35667 0 -0.06398 0.32063 0 3.80466 -0.2637 0 -2.7348 -0.50557 0.44762 -2.62773 VAL_43 -4.56019 0.34272 5.07191 -0.30806 0.2102 0.06998 2.47554 -2.39671 -0 -0 -2.67801 -0.15283 0 0 -0.97898 0 0 -0.05582 0.0001 0.06325 0 -0.36383 0 1.9342 -0.26025 0.20601 -1.38076 SER_44 -6.18653 0.5289 5.27902 -0.02761 0 0.02238 2.5896 -2.70735 -0.02803 -0.2521 -1.22818 -0.59198 0 0 0 0 0 0.0084 0.00028 0.50596 0 0.29478 1.78351 -0.77834 -0.05162 0.16247 -0.67643 MET_45 -8.87442 0.51995 6.12317 -0.7962 0.31083 0.32679 3.08281 -3.19997 -0 -0 -3.47477 -0.18213 0 0 0 0 0 0.00985 0.04299 2.72569 0 0.08676 0 0.60916 0.14843 0.26498 -2.27607 ASN_46 -5.74428 0.20254 6.14799 -0.18036 0.04015 0.26912 2.50574 -2.93061 -0.00013 -0.00343 -2.37237 -0.32524 0 0 0 0 0 0.02925 0.1439 0 1.63432 0.3506 0 -0.93687 0.21554 0.37239 -0.58176 LYS_47 -5.07693 0.24618 5.51703 -0.30029 0.02522 0.12788 2.48427 -2.56287 -0 -0 -2.27055 -0.02871 0 0 0 0 0 -0.02039 0.0724 1.80234 0 -0.01136 0 -1.5107 -0.10926 0.25347 -1.36228 VAL_48 -6.73801 0.55991 3.48112 -0.29788 0.13305 0.06492 2.57951 -2.5721 -0 -0 -3.13857 -0.12558 0 0 0 0 0 -0.07078 0.00231 0.10534 0 -0.31649 0 1.9342 -0.19551 0.32132 -4.27323 THR_49 -6.61235 0.45717 6.18015 -0.20654 0.17242 0.07607 3.15282 -3.0515 -0 -0 -3.78304 -0.08212 0 0 0 0 0 -0.02198 0.03494 0.06544 0 -0.02666 2.26452 -1.0874 0.02132 0.4329 -2.01386 GLU_50 -5.72753 0.31788 7.15395 -0.63087 0.16179 1.16435 3.1806 -3.04861 -0.02039 -0.11471 -4.08219 -0.65878 0 0 0 -0.78388 0 0.07645 0.00035 0 3.4201 -0.24027 0 -2.7348 -0.12158 0.39066 -2.2975 LYS_51 -4.64422 0.2308 5.25108 -0.3026 0.02511 0.13077 2.32351 -2.46876 -0 -0 -2.08128 -0.02918 0 0 0 0 0 -0.02823 0.0205 1.73524 0 -0.00109 0 -1.5107 -0.41838 0.29498 -1.47246 THR_52 -7.40012 0.93608 4.85902 -0.20507 0.13736 0.0733 3.03746 -2.99329 -0 -0 -3.05921 -0.01859 0 0 0 0 0 0.00927 0.01473 0.06815 0 -0.02768 2.26673 -1.0874 -0.13421 0.23485 -3.28861 HIS_53 -7.71759 0.30268 7.67728 -0.74958 0.0229 0.79461 2.96168 -3.69285 -0.0164 -0.08633 -3.01802 -0.26957 0 0 0 0 0 -0.0147 0.00105 0 1.56356 -0.1756 0 -0.45461 0.1234 0.31282 -2.43528 ARG_54 -5.86773 0.3844 6.78863 -0.43968 0.04399 0.21419 3.03013 -2.99816 -0 -0 -3.72852 0.40602 0 0 0 -0.78388 0 -0.02949 0.08098 2.11141 0 -0.11003 0 -1.2888 -0.09112 0.32741 -1.95025 VAL_55 -6.58931 0.73055 3.62544 -0.30419 0.15639 0.06587 2.3096 -2.46718 -0 -0 -1.78969 -0.07904 0 0 0 0 0 -0.06346 0.00154 0.03931 0 -0.35388 0 1.9342 -0.12981 0.32436 -2.5893 LEU_56 -9.36897 1.1498 4.16964 -0.48202 0.17055 0.11072 2.60528 -3.07052 -0 -0 -2.53194 0.24724 0 0 0 0 0 -0.04612 0.03054 0.34799 0 -0.28059 0 0.18072 -0.14982 0.56103 -6.35645 ARG_57 -6.26687 0.28006 6.16098 -0.92207 0.24976 0.74045 2.72315 -2.91107 -0 -0 -2.94904 0.09775 0 0 0 0 0 0.0392 0.0246 2.61459 0 -0.03947 0 -1.2888 -0.25696 0.49774 -1.20598 VAL_58 -5.74786 0.42089 5.34472 -0.31863 0.22768 0.07321 2.70516 -2.74505 -0.0164 -0.08633 -2.41875 -0.24998 0 0 0 0 0 -0.01361 0.00202 0.1451 0 -0.22858 0 1.9342 -0.20601 0.33431 -0.84392 MET_59 -10.5544 1.97148 5.55198 -0.39839 0.12573 0.11751 2.92036 -3.33419 -0 -0 -2.2637 0.01104 0 0 0 0 0 0.08336 0.04413 1.74356 0 -0.01483 0 0.60916 -0.1297 0.74421 -2.77273 GLU_60 -5.07665 0.27036 7.35257 -0.56231 0.11075 1.01157 2.96374 -3.16223 -0.03487 -0.22468 -3.03355 -0.75904 0 0 0 -1.00666 0 -0.03748 0.10234 0 3.50346 -0.18242 0 -2.7348 -0.23872 0.73625 -1.00236 ILE_61 -4.74776 0.31145 3.75552 -0.50197 0.36601 0.1025 1.65427 -1.90344 -0 -0 -0.53767 0.04278 0 0 0 0 0 -0.0478 0.02892 0.60347 0 -0.37908 0 0.73287 -0.22498 0.37497 -0.36993 LYS_62 -3.90266 0.28102 3.53011 -0.33183 0.06433 0.1939 1.30448 -1.74963 -0 -0 -1.0575 -0.19997 0 0 0 0 0 -0.06463 0.04184 1.68706 0 -0.01371 0 -1.5107 -0.15261 0.35941 -1.5211 GLU_63 -2.80224 0.28378 3.25621 -0.22845 0.03822 0.374 1.65468 -1.64951 -0.00474 -0.05243 -1.67658 -0.51836 0 0 0 0 0 -0.09918 0.01145 0 2.68224 0.03207 0 -2.7348 -0.18288 0.34276 -1.27375 ALA_64 -4.45366 0.42675 3.1054 -0.03006 0.01326 0 1.69681 -1.96732 -0 -0 -0.99179 -0.49407 0 0 -0.40889 0 0 0.0298 0 0 0 -0.01969 0 1.8394 0.2255 0.36736 -0.6612 VAL_65 -5.07458 0.73591 2.73542 -0.24658 0.1212 0.03812 1.43728 -1.81284 -0 -0 -0.45591 0.24833 0 0 0 0 0 -0.04605 0.04147 1.1216 0 -0.35016 0 1.9342 0.30557 0.6176 1.35057 SER_66 -2.11491 0.41161 1.95087 -0.02846 0.00014 0.04506 0.47155 -1.00555 -0.00474 -0.05243 0.36225 -1.1494 0 0 0 0 0 -0.01661 1e-05 0.42381 0 -0.10893 0.60578 -0.77834 -0.06111 0.54854 -0.50086 SER_67 -3.51174 0.37068 3.02564 -0.02737 0.00267 0.02502 1.63678 -1.52844 -0 -0 -1.27705 -0.21066 0 0 0 0 0 -0.00962 0.00306 0.67807 0 -0.25177 0.60486 -0.77834 -0.41245 0.35485 -1.30582 LEU_68 -10.0166 2.261 4.76365 -0.73451 0.32331 0.29819 2.83007 -2.90806 -0 -0 -1.46613 0.16522 0 0 0 0 0 0.12627 0.13711 0.87414 0 -0.18683 0 0.18072 0.63905 1.89137 -0.82198 PRO_69 -5.28529 0.74427 3.32504 -0.0739 0 0.04481 1.34175 -1.5558 -0 -0 -1.46712 0.62177 0 0 0 0 0 -0.1626 0.00189 0.46574 0 -0.38512 0 -2.4119 0.72307 2.04404 -2.02935 SER_70 -3.56904 0.32524 4.26947 -0.02304 0 0.02093 2.24597 -2.04306 -0 -0 -1.85839 -0.2717 0 0 0 0 0 0.05021 0.00029 0.42091 0 0.34874 0.60459 -0.77834 -0.01387 0.50722 0.23615 TYR_71 -7.4852 0.98498 4.03867 -0.62592 0.03375 0.30425 2.24676 -2.40298 -0 -0 -1.5031 -0.24297 0 0 0 0 0 0.21681 0.00015 0 2.51342 0.15315 0.00136 1.2797 0.09432 0.32248 -0.07037 TRP_72 -12.5716 1.819 5.69063 -1.02528 0.02562 0.29371 2.91313 -3.50759 -0 -0 -2.41821 -0.47212 0 0 0 0 0 0.01964 0.83019 0 2.281 -0.09095 0 1.6906 -0.20447 0.59252 -4.13412 SER_73 -4.11998 0.28838 5.21725 -0.02634 0 0.06107 2.1187 -2.36112 -0 -0 -1.3726 -0.60383 0 0 0 0 0 0.24063 0.00121 0.73182 0 0.35311 0.60216 -0.77834 0.04932 0.5164 0.91785 TRP_74 -5.14357 0.39096 4.92232 -1.31672 0.0425 0.59946 2.11229 -2.43434 -0 -0 -1.47151 -0.28923 0 0 0 0 0 0.00828 0.55077 0 1.92751 -0.38261 0 1.6906 0.25535 0.21983 1.6819 LEU_75 -7.90671 0.9862 3.34277 -0.4841 0.30366 0.11444 2.48711 -2.54272 -0 -0 -2.40963 0.25067 0 0 0 0 0 -0.04315 0.02376 0.27095 0 -0.3042 0 0.18072 -0.07247 0.41485 -5.38785 ARG_76 -5.9697 0.39834 6.03564 -0.71137 0.10064 0.42824 2.67488 -2.47871 -0 -0 -2.75942 0.15847 0 0 0 -0.99306 0 -0.03968 0.24446 2.7487 0 -0.05801 0 -1.2888 -0.24213 0.65206 -1.09945 LYS_77 -3.45254 0.48448 4.30613 -0.32847 0.0516 0.1864 1.92775 -1.84461 -0 -0 -1.72677 -0.20965 0 0 0 0 0 -0.08119 0.0213 1.71682 0 -0.04014 0 -1.5107 -0.25752 0.51331 -0.2438 THR_78 -3.84999 0.3857 2.59766 -0.1791 0.08711 0.06505 1.87217 -1.56851 -0 -0 -2.47277 0.1532 0 0 0 0 0 0.02639 0.01836 0.03919 0 0.04823 2.29756 -1.0874 -0.15428 0.33264 -1.38879 LYS_79 -4.35513 0.43418 3.29681 -0.34509 0.06148 0.21236 1.96108 -1.55489 -0 -0 -1.342 -0.16547 0 0 0 0 0 0.01569 0.00997 1.51868 0 0.24679 0 -1.5107 0.4008 0.3955 -0.71995 LEU_80 -7.85501 1.40518 2.64816 -0.49692 0.333 0.12904 2.35678 -2.19197 -0 -0 -2.85038 0.22452 0 0 0 0 0 0.47979 0.01798 0.27568 0 -0.29558 0 0.18072 1.44832 1.54288 -2.6478 PRO_81 -4.1481 0.80627 3.02277 -0.0748 0 0.04527 0.60636 -1.33387 -0 -0 -0.42128 0.59463 0 0 0 0 0 -0.13525 0.01259 0.46978 0 -0.45973 0 -2.4119 0.87377 1.64758 -0.90592 GLU_82 -4.9068 0.55997 5.96586 -0.40924 0.05713 0.82517 2.62713 -2.53827 -0.00538 -0.0387 -2.6785 -0.36054 0 0 0 0 0 0.17478 0.00103 0 3.11549 -0.14282 0 -2.7348 -0.18228 0.48041 -0.19034 TYR_83 -8.34179 0.90961 4.25487 -0.5473 0.03868 0.23437 3.5817 -3.0383 -0.01658 -0.19183 -2.61976 -0.32462 0 0 0 0 0 0.1203 0.04135 0 2.57756 0.24735 0.01224 1.2797 -0.10362 0.4791 -1.40698 THR_84 -5.27061 0.78884 4.53548 -0.22123 0.2828 0.0815 2.12233 -2.31491 -0 -0 -1.94723 -0.13372 0 0 0 0 0 -0.09463 0.00129 0.26001 0 0.32327 2.35424 -1.0874 0.0404 0.67893 0.39936 ARG_85 -3.36877 0.21435 4.54922 -0.58519 0.09852 0.35193 1.45653 -1.96089 -0 -0 -1.50518 0.18457 0 0 0 0 0 -0.04446 0.01102 1.93154 0 -0.11973 0 -1.2888 0.22632 0.5544 0.70538 GLU_86 -2.39255 0.07839 2.85538 -0.21669 0.0391 0.33137 1.08032 -1.31916 -0.00409 -0.05716 0.10446 -0.53396 0 0 0 0 0 -0.04499 0.00117 0 2.91292 -0.13113 0 -2.7348 0.1596 0.55735 0.68555 ALA_87 -5.05702 0.70693 2.94236 -0.02381 1e-05 0 2.35869 -2.04446 -0.00538 -0.0387 -1.31628 -0.34034 0 0 0 0 0 0.05519 0 0 0 0.30358 0 1.8394 0.32599 0.48645 0.19262 LEU_88 -7.33678 0.73612 3.25917 -0.61173 0.25092 0.21091 2.58932 -2.409 -0.00597 -0.04959 -0.30456 0.0053 0 0 0 0 0 -0.04353 0.08005 1.45606 0 -0.31701 0 0.18072 0.12389 0.53458 -1.65114 CYS:disulfide_89 -4.49313 1.33697 1.68945 -0.04937 0.04025 0.02475 0.92749 -1.19829 -0 -0 0.82318 -0.48138 0 0 0 0 -0.71164 -0.04793 0.05572 0.11782 0 0.22526 0 3.6196 5.78962 1.03956 8.70792 PRO_90 -4.11002 1.39535 2.58812 -0.08878 0.00198 0.05579 0.65901 -0.97775 -0.00409 -0.05716 -0.6788 0.61097 0 0 0 0 0 -0.12626 0.02264 0.52504 0 -0.35013 0 -2.4119 11.8624 2.82383 11.7403 PRO_91 -3.62365 1.01504 2.59044 -0.13679 0.00086 0.09793 0.42966 -1.02122 -0 -0 0.13481 0.2106 0 0 0 0 0 -0.06608 0.00311 0.1486 0 -1.14308 0 -2.4119 5.64893 2.49599 4.37325 ALA_92 -1.98912 0.29408 1.14806 -0.02154 0 0 0.53699 -0.69085 -0 -0 0.61128 -0.36088 0 0 0 0 0 -0.03018 0 0 0 -0.20219 0 1.8394 -0.43662 0.33545 1.03388 CYS:disulfide_93 -4.63887 0.61356 2.59991 -0.03207 0 0.01418 0.371 -1.33675 -0 -0 -0.10364 -0.25898 0 0 0 0 -0.62117 -0.01682 0.18135 1.13373 0 -0.35704 0 3.6196 -0.20008 0.28493 1.25285 ARG_94 -4.80948 0.43888 3.56199 -0.41637 0.06159 0.20635 1.60523 -1.72982 -0 -0 -1.3177 0.3471 0 0 0 0 0 0.10695 0.05274 1.33119 0 0.91381 0 -1.2888 5.38263 0.37869 4.82496 GLY_95 -2.78165 0.62497 1.77814 -0.00252 0 0 0.5867 -1.13926 -0 -0 -0.18468 -0.41814 0 0 0 0 0 0.00063 0 0 0 -1.54006 0 0.83697 6.00121 0.64506 4.40737 SER_96 -3.14161 0.25384 2.66818 -0.02608 0 0.0603 0.98877 -1.25235 -0.00871 -0.06808 -0.84201 -0.65663 0 0 0 -0.75746 0 0.00318 0.00628 0.14765 0 -0.49415 0.61856 -0.77834 0.26818 0.64942 -2.36105 THR_97 -4.7349 0.37673 3.03135 -0.19791 0.10572 0.06948 2.14861 -1.71601 -0.04167 -0.22856 -2.4114 -0.98905 0 0 -0.13643 0 0 -0.01011 0.001 0.92429 0 -0.6195 2.29017 -1.0874 -0.24143 0.43493 -3.0321 THR_98 -2.89749 0.17018 1.4647 -0.17545 0.10147 0.06489 0.51802 -1.09598 -0.004 -0.04654 -0.64935 -0.30695 0 0 -0.13643 0 0 -0.06291 0.00252 0.14886 0 -0.05846 2.28832 -1.0874 0.07733 0.40101 -1.28365 LEU_99 -9.50725 0.92953 2.57458 -0.45088 0.17262 0.07862 2.9025 -2.79286 -0.01411 -0.05022 -2.40644 0.05141 0 0 0 0 0 0.12397 0.05238 0.70615 0 0.15741 0 0.18072 0.13635 0.43176 -6.72375 TYR_100 -8.86477 0.95695 4.72319 -0.59886 0.08111 0.26918 2.57403 -3.05776 -0 -0 -3.9713 -0.26512 0 0 0 -0.35667 0 -0.07086 0.3252 0 2.55494 0.04103 0.32924 1.2797 0.04723 0.50931 -3.49422 ASN_101 -5.49027 0.49823 6.3713 -0.28791 0.11122 0.47481 3.9724 -3.19061 -0 -0 -3.6305 -0.87784 0 0 -0.92202 0 0 0.20518 0.03546 0 1.80688 -0.54083 0 -0.93687 -0.08519 0.67906 -1.80751 CYS:disulfide_102 -6.50764 1.05806 4.66286 -0.07651 0.00351 0.05808 2.24158 -2.48388 -0.0088 -0.09292 -0.60184 -0.52021 0 0 0 0 -0.27132 -0.04271 0.11611 0.64197 0 0.17273 0 3.6196 -0.23319 0.75242 2.48791 SER_103 -5.75782 0.9151 6.17282 -0.05039 0.03109 0.09395 3.5259 -2.96775 -0.0331 -0.23108 -2.27294 -0.63895 0 0 -0.92202 0 0 3.94954 0.10032 0.27718 0 0.07301 0.60047 -0.77834 -0.4018 15.4137 17.0989 THR_104 -4.36029 0.43952 3.74336 -0.12984 0.04357 0.06908 1.36441 -1.90349 -0.00157 -0.01499 0.04641 -1.06277 0 0 0 0 0 -0.06142 0.0098 0.07029 0 -0.67856 2.2969 -1.0874 -0.28513 15.7919 14.2897 CYS:disulfide_105 -4.83433 0.4502 3.482 -0.0461 0.02318 0.02278 1.54772 -1.84618 -0 -0 -0.97849 -0.43656 0 0 0 0 -0.49289 -0.09397 0.00333 0.06095 0 0.37583 0 3.6196 0.34058 0.89677 2.09441 LYS_106 -4.44697 0.18169 4.78358 -0.46491 0.11743 0.26039 2.0728 -2.17474 -0 -0 -1.96822 -0.11502 0 0 0 0 0 -0.00717 0.01885 1.79051 0 0.07304 0 -1.5107 0.31969 0.2813 -0.78846 GLY_107 -2.36994 0.25838 1.31865 -0.00026 0 0 0.33606 -0.92816 -0 -0 -0.50625 -0.25349 0 0 0 0 0 -0.10046 0 0 0 0.63482 0 0.83697 0.01686 0.2094 -0.54742 THR_108 -4.0579 0.14289 3.48865 -0.21625 0.12745 0.08945 2.4325 -2.05474 -0 -0 -1.64059 -1.34052 0 0 0 0 0 0.00356 0.00727 0.27941 0 0.09772 2.29189 -1.0874 0.15148 0.21264 -1.07251 GLU_109 -2.7494 0.13207 2.41574 -0.29439 0.05174 0.35527 0.96071 -1.15126 -0.01209 -0.04566 -1.22257 -0.30477 0 0 0 -0.75746 0 -0.04553 0.00576 0 2.90552 0.03936 0 -2.7348 -0.02243 0.15335 -2.32086 VAL_110 -5.90305 0.73819 2.91058 -0.26441 0.16107 0.05316 2.49981 -2.08008 -0 -0 -3.06416 -0.26437 0 0 0 0 0 -0.02889 0.01629 0.32305 0 -0.80499 0 1.9342 -0.31958 0.30184 -3.79135 SER_111 -2.28208 0.19029 1.47761 -0.03223 0.01651 0.03023 0.11063 -0.88242 -0.02982 -0.20063 -0.27032 -0.30111 0 0 0 0 0 0.11581 0.00221 0.29777 0 0.33607 0.60316 -0.77834 0.39907 0.37254 -0.82506 CYS:disulfide_112 -5.90703 0.95581 3.23983 -0.0517 0.01727 0.02229 1.60324 -1.95926 -0.01885 -0.11026 -0.65347 -0.37532 0 0 0 0 -0.71164 -0.0796 0.06915 0.87983 0 0.08602 0 3.6196 0.71285 0.54792 1.88671 TRP_113 -6.46465 0.75748 3.846 -1.00054 0.1924 0.37795 0.73562 -2.44566 -0.01773 -0.15497 0.06792 -0.34129 0 0 0 0 0 -0.00547 0.21656 0 2.15709 0.36779 0 1.6906 1.10949 2.24201 3.3306 PRO_114 -4.51797 0.67532 3.21434 -0.12113 0.00549 0.08919 1.38704 -1.34723 -0 -0 -2.1785 0.2191 0 0 0 0 0 0.15585 0.03336 0.09727 0 -0.88888 0 -2.4119 0.84115 2.3802 -2.36729 ARG_115 -2.61811 0.45692 3.22187 -0.43166 0.05396 0.20595 1.62564 -1.41493 -0.00526 -0.042 -0.58412 0.65726 0 0 0 0 0 -0.01439 0.00174 1.75785 0 0.31478 0 -1.2888 0.09217 0.90167 2.89051 LYS_116 -2.21828 0.16575 1.96287 -0.43165 0.0672 0.24225 0.56637 -0.80244 -0 -0 0.85779 0.08552 0 0 0 0 0 -0.14691 0.0049 1.29576 0 -0.03276 0 -1.5107 0.2568 0.52242 0.8849 ARG_117 -3.80156 0.52412 2.44103 -1.0427 0.30538 0.61357 0.43251 -1.29145 -0 -0 0.06801 0.201 0 0 0 0 0 0.04827 0.06314 2.45847 0 -0.04902 0 -1.2888 -0.19269 0.30587 -0.20485 CYS:disulfide_118 -4.6614 0.45575 3.04668 -0.06902 0.00227 0.05089 1.35611 -1.58391 -0.00526 -0.042 -0.19047 -0.3937 0 0 0 0 -0.62117 -0.06994 0.07169 0.32455 0 0.09751 0 3.6196 -0.21364 0.38371 1.55824 PHE_119 -4.43323 0.57003 2.86959 -0.61177 0.04326 0.35795 1.14947 -1.72067 -0 -0 -0.52415 0.01898 0 0 0 0 0 -0.0098 0.00698 0 2.22743 -0.38563 0 1.0402 -0.13576 0.78134 1.24421 PRO_120 -2.64789 0.6441 1.342 -0.13721 0.0028 0.09886 0.26064 -0.57449 -0 -0 -0.20251 0.18899 0 0 0 0 0 -0.10437 0.00164 0.14453 0 -0.93633 0 -2.4119 -0.48996 0.78416 -4.03696 GLY_121 -0.6347 0.04885 0.97784 -7e-05 0 0 0.22237 -0.43211 -0 -0 -0.22517 -0.37591 0 0 0 0 0 -0.15975 0 0 0 -1.51753 0 0.83697 -0.68234 0.27531 -1.66625 SER:CtermProteinFull_122 -1.1914 0.08497 1.71981 -0.08015 0.01269 0.15922 0.86057 -0.71519 -0 -0 -0.86464 -1.07799 0 0 0 0 0 0 0.00352 0.70487 0 0 1.98971 -0.77834 -0.29463 0.19862 0.73165 #END_POSE_ENERGIES_TABLE model05_0001.pdb If you find results from this 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