 |
| home | start a new run | job status | references&downloads | examples | help |
Should you encounter any unexpected behaviour,
|
*** Robetta05 ***elNémo ID: 20122820012065649Job options:ID = 20122820012065649 JOBID = Robetta05 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 Robetta05 REMARK Rerank model04.pdb to model05.pdb score: 65.371 SSBOND CYS A 89 CYS A 112 2.03 SSBOND CYS A 102 CYS A 105 2.13 ATOM 1 N CYS A 1 13.675 -1.224 -34.949 1.00 13.200 N ATOM 2 CA CYS A 1 12.387 -1.180 -34.266 1.00 12.630 C ATOM 3 C CYS A 1 12.256 0.060 -33.401 1.00 11.740 C ATOM 4 O CYS A 1 13.148 0.386 -32.615 1.00 11.700 O ATOM 5 CB CYS A 1 12.156 -2.422 -33.408 1.00 17.910 C ATOM 6 SG CYS A 1 10.548 -2.421 -32.532 1.00 17.910 S ATOM 7 1H CYS A 1 13.579 -1.721 -35.822 1.00 15.840 H ATOM 8 2H CYS A 1 13.988 -0.281 -35.132 1.00 15.840 H ATOM 9 3H CYS A 1 14.353 -1.694 -34.367 1.00 15.840 H ATOM 10 HA CYS A 1 11.602 -1.150 -35.021 1.00 15.160 H ATOM 11 1HB CYS A 1 12.190 -3.308 -34.043 1.00 21.490 H ATOM 12 2HB CYS A 1 12.947 -2.520 -32.677 1.00 21.490 H ATOM 13 HG CYS A 1 10.821 -1.441 -31.654 1.00 21.490 H ATOM 14 N VAL A 2 11.157 0.762 -33.593 1.00 11.220 N ATOM 15 CA VAL A 2 10.841 1.957 -32.833 1.00 10.490 C ATOM 16 C VAL A 2 10.086 1.584 -31.564 1.00 9.710 C ATOM 17 O VAL A 2 9.147 0.787 -31.604 1.00 9.800 O ATOM 18 CB VAL A 2 10.045 2.944 -33.707 1.00 14.980 C ATOM 19 CG1 VAL A 2 9.601 4.174 -32.899 1.00 14.980 C ATOM 20 CG2 VAL A 2 10.945 3.381 -34.865 1.00 14.980 C ATOM 21 H VAL A 2 10.479 0.428 -34.266 1.00 13.460 H ATOM 22 HA VAL A 2 11.773 2.439 -32.546 1.00 12.590 H ATOM 23 HB VAL A 2 9.151 2.454 -34.085 1.00 17.970 H ATOM 24 1HG1 VAL A 2 9.048 4.850 -33.547 1.00 17.970 H ATOM 25 2HG1 VAL A 2 8.957 3.873 -32.069 1.00 17.970 H ATOM 26 3HG1 VAL A 2 10.473 4.691 -32.505 1.00 17.970 H ATOM 27 1HG2 VAL A 2 10.405 4.075 -35.507 1.00 17.970 H ATOM 28 2HG2 VAL A 2 11.831 3.871 -34.459 1.00 17.970 H ATOM 29 3HG2 VAL A 2 11.248 2.515 -35.445 1.00 17.970 H ATOM 30 N PHE A 3 10.530 2.134 -30.445 1.00 9.120 N ATOM 31 CA PHE A 3 9.923 1.865 -29.142 1.00 8.460 C ATOM 32 C PHE A 3 9.267 3.110 -28.573 1.00 7.750 C ATOM 33 O PHE A 3 9.368 4.192 -29.152 1.00 7.920 O ATOM 34 CB PHE A 3 10.930 1.243 -28.183 1.00 12.110 C ATOM 35 CG PHE A 3 11.327 -0.146 -28.599 1.00 12.110 C ATOM 36 CD1 PHE A 3 12.335 -0.366 -29.489 1.00 12.110 C ATOM 37 CD2 PHE A 3 10.664 -1.239 -28.083 1.00 12.110 C ATOM 38 CE1 PHE A 3 12.697 -1.627 -29.857 1.00 12.110 C ATOM 39 CE2 PHE A 3 11.015 -2.515 -28.458 1.00 12.110 C ATOM 40 CZ PHE A 3 12.038 -2.708 -29.342 1.00 12.110 C ATOM 41 H PHE A 3 11.302 2.806 -30.534 1.00 10.940 H ATOM 42 HA PHE A 3 9.137 1.124 -29.282 1.00 10.150 H ATOM 43 1HB PHE A 3 11.814 1.858 -28.114 1.00 14.530 H ATOM 44 2HB PHE A 3 10.507 1.189 -27.185 1.00 14.530 H ATOM 45 HD1 PHE A 3 12.839 0.471 -29.915 1.00 14.530 H ATOM 46 HD2 PHE A 3 9.847 -1.079 -27.363 1.00 14.530 H ATOM 47 HE1 PHE A 3 13.504 -1.768 -30.571 1.00 14.530 H ATOM 48 HE2 PHE A 3 10.480 -3.368 -28.045 1.00 14.530 H ATOM 49 HZ PHE A 3 12.320 -3.716 -29.642 1.00 14.530 H ATOM 50 N CYS A 4 8.508 2.962 -27.492 1.00 7.160 N ATOM 51 CA CYS A 4 7.837 4.124 -26.938 1.00 6.610 C ATOM 52 C CYS A 4 8.806 5.134 -26.351 1.00 6.190 C ATOM 53 O CYS A 4 9.735 4.786 -25.610 1.00 6.260 O ATOM 54 CB CYS A 4 6.805 3.727 -25.881 1.00 9.470 C ATOM 55 SG CYS A 4 5.888 5.124 -25.161 1.00 9.470 S ATOM 56 H CYS A 4 8.442 2.059 -27.006 1.00 8.590 H ATOM 57 HA CYS A 4 7.293 4.612 -27.747 1.00 7.930 H ATOM 58 1HB CYS A 4 6.080 3.049 -26.324 1.00 11.370 H ATOM 59 2HB CYS A 4 7.276 3.196 -25.082 1.00 11.370 H ATOM 60 HG CYS A 4 6.947 5.892 -24.793 1.00 11.370 H ATOM 61 N ARG A 5 8.597 6.397 -26.705 1.00 6.070 N ATOM 62 CA ARG A 5 9.386 7.466 -26.127 1.00 5.930 C ATOM 63 C ARG A 5 8.840 7.675 -24.741 1.00 5.200 C ATOM 64 O ARG A 5 7.622 7.661 -24.551 1.00 5.300 O ATOM 65 CB ARG A 5 9.280 8.766 -26.933 1.00 8.360 C ATOM 66 CG ARG A 5 10.124 9.975 -26.396 1.00 8.360 C ATOM 67 CD ARG A 5 10.066 11.160 -27.312 1.00 8.360 C ATOM 68 NE ARG A 5 10.811 12.343 -26.784 1.00 8.360 N ATOM 69 CZ ARG A 5 11.092 13.471 -27.487 1.00 8.360 C ATOM 70 NH1 ARG A 5 10.717 13.610 -28.749 1.00 8.360 N ATOM 71 NH2 ARG A 5 11.755 14.432 -26.877 1.00 8.360 N ATOM 72 H ARG A 5 7.854 6.608 -27.356 1.00 7.280 H ATOM 73 HA ARG A 5 10.431 7.158 -26.065 1.00 7.120 H ATOM 74 1HB ARG A 5 9.602 8.576 -27.956 1.00 10.030 H ATOM 75 2HB ARG A 5 8.239 9.083 -26.969 1.00 10.030 H ATOM 76 1HG ARG A 5 9.760 10.286 -25.412 1.00 10.030 H ATOM 77 2HG ARG A 5 11.168 9.683 -26.318 1.00 10.030 H ATOM 78 1HD ARG A 5 10.508 10.878 -28.268 1.00 10.030 H ATOM 79 2HD ARG A 5 9.027 11.449 -27.458 1.00 10.030 H ATOM 80 HE ARG A 5 11.132 12.343 -25.796 1.00 10.030 H ATOM 81 1HH1 ARG A 5 10.212 12.871 -29.213 1.00 10.030 H ATOM 82 2HH1 ARG A 5 10.939 14.459 -29.250 1.00 10.030 H ATOM 83 1HH2 ARG A 5 12.028 14.288 -25.895 1.00 10.030 H ATOM 84 2HH2 ARG A 5 11.992 15.292 -27.352 1.00 10.030 H ATOM 85 N LEU A 6 9.712 7.828 -23.771 1.00 4.720 N ATOM 86 CA LEU A 6 9.218 8.091 -22.431 1.00 4.200 C ATOM 87 C LEU A 6 9.557 9.540 -22.128 1.00 3.440 C ATOM 88 O LEU A 6 10.734 9.883 -22.094 1.00 3.700 O ATOM 89 CB LEU A 6 9.816 7.132 -21.396 1.00 6.090 C ATOM 90 CG LEU A 6 9.627 5.600 -21.694 1.00 6.090 C ATOM 91 CD1 LEU A 6 10.346 4.782 -20.602 1.00 6.090 C ATOM 92 CD2 LEU A 6 8.138 5.235 -21.757 1.00 6.090 C ATOM 93 H LEU A 6 10.710 7.816 -24.015 1.00 5.660 H ATOM 94 HA LEU A 6 8.154 7.938 -22.426 1.00 5.040 H ATOM 95 1HB LEU A 6 10.855 7.338 -21.301 1.00 7.310 H ATOM 96 2HB LEU A 6 9.350 7.337 -20.432 1.00 7.310 H ATOM 97 HG LEU A 6 10.078 5.365 -22.658 1.00 7.310 H ATOM 98 1HD1 LEU A 6 10.240 3.720 -20.807 1.00 7.310 H ATOM 99 2HD1 LEU A 6 11.404 5.037 -20.579 1.00 7.310 H ATOM 100 3HD1 LEU A 6 9.911 4.999 -19.649 1.00 7.310 H ATOM 101 1HD2 LEU A 6 8.039 4.185 -21.971 1.00 7.310 H ATOM 102 2HD2 LEU A 6 7.663 5.457 -20.805 1.00 7.310 H ATOM 103 3HD2 LEU A 6 7.643 5.790 -22.544 1.00 7.310 H ATOM 104 N PRO A 7 8.566 10.420 -21.938 1.00 2.800 N ATOM 105 CA PRO A 7 8.746 11.837 -21.742 1.00 2.440 C ATOM 106 C PRO A 7 9.399 12.122 -20.409 1.00 2.360 C ATOM 107 O PRO A 7 9.240 11.338 -19.464 1.00 2.200 O ATOM 108 CB PRO A 7 7.312 12.380 -21.820 1.00 3.660 C ATOM 109 CG PRO A 7 6.432 11.222 -21.397 1.00 3.660 C ATOM 110 CD PRO A 7 7.148 9.975 -21.871 1.00 3.660 C ATOM 111 HA PRO A 7 9.360 12.225 -22.565 1.00 2.930 H ATOM 112 1HB PRO A 7 7.203 13.257 -21.158 1.00 4.390 H ATOM 113 2HB PRO A 7 7.105 12.734 -22.840 1.00 4.390 H ATOM 114 1HG PRO A 7 6.285 11.226 -20.300 1.00 4.390 H ATOM 115 2HG PRO A 7 5.429 11.320 -21.840 1.00 4.390 H ATOM 116 1HD PRO A 7 7.004 9.207 -21.086 1.00 4.390 H ATOM 117 2HD PRO A 7 6.775 9.658 -22.864 1.00 4.390 H ATOM 118 N ALA A 8 10.054 13.282 -20.315 1.00 2.920 N ATOM 119 CA ALA A 8 10.713 13.744 -19.082 1.00 3.330 C ATOM 120 C ALA A 8 9.791 13.682 -17.879 1.00 3.030 C ATOM 121 O ALA A 8 10.220 13.381 -16.764 1.00 2.880 O ATOM 122 CB ALA A 8 11.232 15.149 -19.218 1.00 4.500 C ATOM 123 H ALA A 8 10.108 13.848 -21.175 1.00 3.500 H ATOM 124 HA ALA A 8 11.552 13.094 -18.898 1.00 4.000 H ATOM 125 1HB ALA A 8 11.729 15.421 -18.300 1.00 5.400 H ATOM 126 2HB ALA A 8 11.937 15.184 -20.025 1.00 5.400 H ATOM 127 3HB ALA A 8 10.405 15.833 -19.407 1.00 5.400 H ATOM 128 N HIS A 9 8.508 13.938 -18.085 1.00 3.230 N ATOM 129 CA HIS A 9 7.548 13.937 -17.003 1.00 3.400 C ATOM 130 C HIS A 9 7.531 12.600 -16.269 1.00 2.970 C ATOM 131 O HIS A 9 7.327 12.566 -15.053 1.00 3.160 O ATOM 132 CB HIS A 9 6.172 14.194 -17.589 1.00 4.690 C ATOM 133 CG HIS A 9 6.067 15.537 -18.170 1.00 4.690 C ATOM 134 ND1 HIS A 9 6.610 15.845 -19.401 1.00 4.690 N ATOM 135 CD2 HIS A 9 5.484 16.670 -17.718 1.00 4.690 C ATOM 136 CE1 HIS A 9 6.366 17.114 -19.680 1.00 4.690 C ATOM 137 NE2 HIS A 9 5.684 17.636 -18.675 1.00 4.690 N ATOM 138 H HIS A 9 8.175 14.218 -19.005 1.00 3.880 H ATOM 139 HA HIS A 9 7.791 14.721 -16.290 1.00 4.080 H ATOM 140 1HB HIS A 9 5.958 13.455 -18.366 1.00 5.630 H ATOM 141 2HB HIS A 9 5.416 14.086 -16.812 1.00 5.630 H ATOM 142 HD2 HIS A 9 4.955 16.794 -16.773 1.00 5.630 H ATOM 143 HE1 HIS A 9 6.673 17.639 -20.583 1.00 5.630 H ATOM 144 HE2 HIS A 9 5.357 18.593 -18.616 1.00 5.630 H ATOM 145 N ASP A 10 7.738 11.491 -16.991 1.00 2.620 N ATOM 146 CA ASP A 10 7.734 10.183 -16.367 1.00 2.620 C ATOM 147 C ASP A 10 9.152 9.771 -16.000 1.00 2.100 C ATOM 148 O ASP A 10 9.383 9.193 -14.928 1.00 2.360 O ATOM 149 CB ASP A 10 7.138 9.137 -17.302 1.00 3.670 C ATOM 150 CG ASP A 10 5.681 9.388 -17.642 1.00 3.670 C ATOM 151 OD1 ASP A 10 4.881 9.521 -16.750 1.00 3.670 O ATOM 152 OD2 ASP A 10 5.374 9.413 -18.808 1.00 3.670 O ATOM 153 H ASP A 10 7.929 11.551 -17.993 1.00 3.140 H ATOM 154 HA ASP A 10 7.136 10.228 -15.457 1.00 3.140 H ATOM 155 1HB ASP A 10 7.719 9.116 -18.232 1.00 4.400 H ATOM 156 2HB ASP A 10 7.216 8.164 -16.837 1.00 4.400 H ATOM 157 N LEU A 11 10.128 10.146 -16.845 1.00 1.670 N ATOM 158 CA LEU A 11 11.522 9.756 -16.627 1.00 1.550 C ATOM 159 C LEU A 11 11.998 10.320 -15.294 1.00 1.350 C ATOM 160 O LEU A 11 12.732 9.663 -14.549 1.00 1.210 O ATOM 161 CB LEU A 11 12.418 10.249 -17.755 1.00 2.220 C ATOM 162 CG LEU A 11 12.283 9.631 -19.144 1.00 2.220 C ATOM 163 CD1 LEU A 11 13.124 10.461 -20.115 1.00 2.220 C ATOM 164 CD2 LEU A 11 12.793 8.191 -19.136 1.00 2.220 C ATOM 165 H LEU A 11 9.874 10.657 -17.698 1.00 2.000 H ATOM 166 HA LEU A 11 11.574 8.683 -16.589 1.00 1.860 H ATOM 167 1HB LEU A 11 12.245 11.280 -17.852 1.00 2.660 H ATOM 168 2HB LEU A 11 13.434 10.083 -17.467 1.00 2.660 H ATOM 169 HG LEU A 11 11.243 9.657 -19.470 1.00 2.660 H ATOM 170 1HD1 LEU A 11 13.043 10.036 -21.119 1.00 2.660 H ATOM 171 2HD1 LEU A 11 12.765 11.488 -20.137 1.00 2.660 H ATOM 172 3HD1 LEU A 11 14.164 10.446 -19.804 1.00 2.660 H ATOM 173 1HD2 LEU A 11 12.717 7.786 -20.136 1.00 2.660 H ATOM 174 2HD2 LEU A 11 13.838 8.176 -18.825 1.00 2.660 H ATOM 175 3HD2 LEU A 11 12.211 7.585 -18.465 1.00 2.660 H ATOM 176 N SER A 12 11.486 11.505 -14.958 1.00 1.530 N ATOM 177 CA SER A 12 11.747 12.203 -13.712 1.00 1.530 C ATOM 178 C SER A 12 11.577 11.271 -12.509 1.00 1.410 C ATOM 179 O SER A 12 12.306 11.391 -11.523 1.00 1.390 O ATOM 180 CB SER A 12 10.797 13.372 -13.580 1.00 2.140 C ATOM 181 OG SER A 12 11.007 14.065 -12.384 1.00 2.140 O ATOM 182 H SER A 12 10.902 11.992 -15.642 1.00 1.840 H ATOM 183 HA SER A 12 12.764 12.583 -13.727 1.00 1.840 H ATOM 184 1HB SER A 12 10.942 14.043 -14.420 1.00 2.570 H ATOM 185 2HB SER A 12 9.767 13.012 -13.626 1.00 2.570 H ATOM 186 HG SER A 12 10.338 14.748 -12.356 1.00 2.570 H ATOM 187 N GLY A 13 10.550 10.403 -12.522 1.00 1.560 N ATOM 188 CA GLY A 13 10.335 9.489 -11.411 1.00 1.700 C ATOM 189 C GLY A 13 11.017 8.135 -11.650 1.00 1.390 C ATOM 190 O GLY A 13 11.548 7.526 -10.719 1.00 1.590 O ATOM 191 H GLY A 13 9.947 10.318 -13.340 1.00 1.870 H ATOM 192 1HA GLY A 13 10.717 9.936 -10.493 1.00 2.040 H ATOM 193 2HA GLY A 13 9.265 9.340 -11.275 1.00 2.040 H ATOM 194 N ARG A 14 11.054 7.684 -12.917 1.00 1.200 N ATOM 195 CA ARG A 14 11.620 6.378 -13.289 1.00 1.300 C ATOM 196 C ARG A 14 13.083 6.282 -12.871 1.00 1.160 C ATOM 197 O ARG A 14 13.541 5.221 -12.429 1.00 1.360 O ATOM 198 CB ARG A 14 11.498 6.135 -14.790 1.00 1.780 C ATOM 199 CG ARG A 14 10.048 5.902 -15.310 1.00 1.780 C ATOM 200 CD ARG A 14 9.991 5.748 -16.802 1.00 1.780 C ATOM 201 NE ARG A 14 8.605 5.683 -17.314 1.00 1.780 N ATOM 202 CZ ARG A 14 7.820 4.577 -17.398 1.00 1.780 C ATOM 203 NH1 ARG A 14 8.254 3.402 -17.018 1.00 1.780 N ATOM 204 NH2 ARG A 14 6.590 4.688 -17.874 1.00 1.780 N ATOM 205 H ARG A 14 10.614 8.253 -13.641 1.00 1.440 H ATOM 206 HA ARG A 14 11.060 5.599 -12.772 1.00 1.560 H ATOM 207 1HB ARG A 14 11.928 6.962 -15.309 1.00 2.140 H ATOM 208 2HB ARG A 14 12.086 5.255 -15.054 1.00 2.140 H ATOM 209 1HG ARG A 14 9.651 4.998 -14.859 1.00 2.140 H ATOM 210 2HG ARG A 14 9.420 6.734 -15.030 1.00 2.140 H ATOM 211 1HD ARG A 14 10.459 6.614 -17.253 1.00 2.140 H ATOM 212 2HD ARG A 14 10.522 4.859 -17.115 1.00 2.140 H ATOM 213 HE ARG A 14 8.198 6.554 -17.633 1.00 2.140 H ATOM 214 1HH1 ARG A 14 9.189 3.288 -16.667 1.00 2.140 H ATOM 215 2HH1 ARG A 14 7.655 2.586 -17.077 1.00 2.140 H ATOM 216 1HH2 ARG A 14 6.239 5.593 -18.171 1.00 2.140 H ATOM 217 2HH2 ARG A 14 5.996 3.874 -17.941 1.00 2.140 H ATOM 218 N LEU A 15 13.787 7.414 -12.902 1.00 1.040 N ATOM 219 CA LEU A 15 15.200 7.474 -12.564 1.00 1.180 C ATOM 220 C LEU A 15 15.493 7.005 -11.137 1.00 1.130 C ATOM 221 O LEU A 15 16.616 6.597 -10.826 1.00 1.220 O ATOM 222 CB LEU A 15 15.737 8.891 -12.782 1.00 1.600 C ATOM 223 CG LEU A 15 15.249 10.019 -11.861 1.00 1.600 C ATOM 224 CD1 LEU A 15 16.153 10.199 -10.671 1.00 1.600 C ATOM 225 CD2 LEU A 15 15.219 11.258 -12.644 1.00 1.600 C ATOM 226 H LEU A 15 13.339 8.254 -13.292 1.00 1.250 H ATOM 227 HA LEU A 15 15.719 6.851 -13.266 1.00 1.420 H ATOM 228 1HB LEU A 15 16.794 8.847 -12.654 1.00 1.920 H ATOM 229 2HB LEU A 15 15.521 9.184 -13.812 1.00 1.920 H ATOM 230 HG LEU A 15 14.246 9.788 -11.499 1.00 1.920 H ATOM 231 1HD1 LEU A 15 15.776 11.017 -10.061 1.00 1.920 H ATOM 232 2HD1 LEU A 15 16.194 9.316 -10.068 1.00 1.920 H ATOM 233 3HD1 LEU A 15 17.154 10.443 -11.020 1.00 1.920 H ATOM 234 1HD2 LEU A 15 14.854 12.078 -12.023 1.00 1.920 H ATOM 235 2HD2 LEU A 15 16.214 11.475 -13.002 1.00 1.920 H ATOM 236 3HD2 LEU A 15 14.552 11.098 -13.462 1.00 1.920 H ATOM 237 N ALA A 16 14.485 7.063 -10.258 1.00 1.170 N ATOM 238 CA ALA A 16 14.637 6.693 -8.858 1.00 1.390 C ATOM 239 C ALA A 16 14.577 5.185 -8.663 1.00 1.390 C ATOM 240 O ALA A 16 14.681 4.691 -7.534 1.00 1.630 O ATOM 241 CB ALA A 16 13.563 7.360 -8.029 1.00 1.860 C ATOM 242 H ALA A 16 13.556 7.369 -10.573 1.00 1.400 H ATOM 243 HA ALA A 16 15.615 7.037 -8.523 1.00 1.670 H ATOM 244 1HB ALA A 16 13.700 7.106 -6.982 1.00 2.230 H ATOM 245 2HB ALA A 16 13.630 8.441 -8.156 1.00 2.230 H ATOM 246 3HB ALA A 16 12.584 7.015 -8.366 1.00 2.230 H ATOM 247 N ARG A 17 14.337 4.447 -9.746 1.00 1.280 N ATOM 248 CA ARG A 17 14.279 3.006 -9.705 1.00 1.460 C ATOM 249 C ARG A 17 15.334 2.527 -10.683 1.00 1.370 C ATOM 250 O ARG A 17 15.944 1.468 -10.520 1.00 1.530 O ATOM 251 CB ARG A 17 12.881 2.534 -10.054 1.00 1.970 C ATOM 252 CG ARG A 17 11.806 3.009 -9.052 1.00 1.970 C ATOM 253 CD ARG A 17 11.937 2.385 -7.701 1.00 1.970 C ATOM 254 NE ARG A 17 10.937 2.891 -6.786 1.00 1.970 N ATOM 255 CZ ARG A 17 11.078 3.983 -5.986 1.00 1.970 C ATOM 256 NH1 ARG A 17 12.194 4.709 -5.967 1.00 1.970 N ATOM 257 NH2 ARG A 17 10.070 4.332 -5.198 1.00 1.970 N ATOM 258 H ARG A 17 14.204 4.901 -10.652 1.00 1.540 H ATOM 259 HA ARG A 17 14.558 2.653 -8.716 1.00 1.750 H ATOM 260 1HB ARG A 17 12.609 2.937 -11.023 1.00 2.370 H ATOM 261 2HB ARG A 17 12.852 1.447 -10.118 1.00 2.370 H ATOM 262 1HG ARG A 17 11.869 4.091 -8.936 1.00 2.370 H ATOM 263 2HG ARG A 17 10.823 2.755 -9.442 1.00 2.370 H ATOM 264 1HD ARG A 17 11.799 1.308 -7.792 1.00 2.370 H ATOM 265 2HD ARG A 17 12.909 2.581 -7.272 1.00 2.370 H ATOM 266 HE ARG A 17 10.058 2.391 -6.741 1.00 2.370 H ATOM 267 1HH1 ARG A 17 13.010 4.486 -6.559 1.00 2.370 H ATOM 268 2HH1 ARG A 17 12.257 5.508 -5.358 1.00 2.370 H ATOM 269 1HH2 ARG A 17 9.216 3.790 -5.198 1.00 2.370 H ATOM 270 2HH2 ARG A 17 10.152 5.137 -4.595 1.00 2.370 H ATOM 271 N LEU A 18 15.597 3.374 -11.677 1.00 1.280 N ATOM 272 CA LEU A 18 16.602 3.140 -12.715 1.00 1.400 C ATOM 273 C LEU A 18 17.957 2.964 -12.044 1.00 1.270 C ATOM 274 O LEU A 18 18.766 2.116 -12.441 1.00 1.370 O ATOM 275 CB LEU A 18 16.663 4.355 -13.631 1.00 1.910 C ATOM 276 CG LEU A 18 17.567 4.374 -14.868 1.00 1.910 C ATOM 277 CD1 LEU A 18 17.150 3.294 -15.876 1.00 1.910 C ATOM 278 CD2 LEU A 18 17.476 5.810 -15.470 1.00 1.910 C ATOM 279 H LEU A 18 15.008 4.210 -11.749 1.00 1.540 H ATOM 280 HA LEU A 18 16.345 2.238 -13.266 1.00 1.680 H ATOM 281 1HB LEU A 18 15.648 4.578 -13.957 1.00 2.290 H ATOM 282 2HB LEU A 18 17.017 5.158 -13.015 1.00 2.290 H ATOM 283 HG LEU A 18 18.592 4.169 -14.577 1.00 2.290 H ATOM 284 1HD1 LEU A 18 17.796 3.330 -16.748 1.00 2.290 H ATOM 285 2HD1 LEU A 18 17.222 2.303 -15.431 1.00 2.290 H ATOM 286 3HD1 LEU A 18 16.132 3.481 -16.184 1.00 2.290 H ATOM 287 1HD2 LEU A 18 18.110 5.905 -16.340 1.00 2.290 H ATOM 288 2HD2 LEU A 18 16.447 6.022 -15.760 1.00 2.290 H ATOM 289 3HD2 LEU A 18 17.797 6.528 -14.724 1.00 2.290 H ATOM 290 N CYS A 19 18.171 3.735 -10.971 1.00 1.190 N ATOM 291 CA CYS A 19 19.403 3.718 -10.208 1.00 1.200 C ATOM 292 C CYS A 19 19.719 2.375 -9.576 1.00 1.170 C ATOM 293 O CYS A 19 20.868 2.126 -9.201 1.00 1.210 O ATOM 294 CB CYS A 19 19.361 4.799 -9.133 1.00 1.680 C ATOM 295 SG CYS A 19 18.131 4.527 -7.853 1.00 1.680 S ATOM 296 H CYS A 19 17.466 4.442 -10.734 1.00 1.430 H ATOM 297 HA CYS A 19 20.201 3.951 -10.881 1.00 1.440 H ATOM 298 1HB CYS A 19 20.337 4.897 -8.659 1.00 2.010 H ATOM 299 2HB CYS A 19 19.133 5.742 -9.613 1.00 2.010 H ATOM 300 HG CYS A 19 18.851 3.648 -7.143 1.00 2.010 H ATOM 301 N SER A 20 18.730 1.481 -9.475 1.00 1.190 N ATOM 302 CA SER A 20 18.965 0.156 -8.926 1.00 1.290 C ATOM 303 C SER A 20 19.778 -0.676 -9.918 1.00 1.290 C ATOM 304 O SER A 20 20.353 -1.705 -9.557 1.00 1.430 O ATOM 305 CB SER A 20 17.656 -0.559 -8.640 1.00 1.770 C ATOM 306 OG SER A 20 16.986 -0.908 -9.833 1.00 1.770 O ATOM 307 H SER A 20 17.790 1.699 -9.809 1.00 1.430 H ATOM 308 HA SER A 20 19.534 0.255 -8.000 1.00 1.550 H ATOM 309 1HB SER A 20 17.860 -1.457 -8.060 1.00 2.120 H ATOM 310 2HB SER A 20 17.014 0.083 -8.038 1.00 2.120 H ATOM 311 HG SER A 20 16.501 -0.103 -10.116 1.00 2.120 H ATOM 312 N GLN A 21 19.833 -0.221 -11.180 1.00 1.220 N ATOM 313 CA GLN A 21 20.580 -0.902 -12.221 1.00 1.340 C ATOM 314 C GLN A 21 21.869 -0.131 -12.485 1.00 1.270 C ATOM 315 O GLN A 21 22.917 -0.726 -12.762 1.00 1.320 O ATOM 316 CB GLN A 21 19.745 -0.989 -13.497 1.00 1.830 C ATOM 317 CG GLN A 21 18.421 -1.688 -13.288 1.00 1.830 C ATOM 318 CD GLN A 21 18.579 -3.088 -12.794 1.00 1.830 C ATOM 319 OE1 GLN A 21 19.231 -3.924 -13.431 1.00 1.830 O ATOM 320 NE2 GLN A 21 17.994 -3.359 -11.633 1.00 1.830 N ATOM 321 H GLN A 21 19.332 0.631 -11.424 1.00 1.460 H ATOM 322 HA GLN A 21 20.840 -1.904 -11.883 1.00 1.610 H ATOM 323 1HB GLN A 21 19.541 0.018 -13.869 1.00 2.190 H ATOM 324 2HB GLN A 21 20.302 -1.521 -14.267 1.00 2.190 H ATOM 325 1HG GLN A 21 17.842 -1.130 -12.549 1.00 2.190 H ATOM 326 2HG GLN A 21 17.883 -1.716 -14.236 1.00 2.190 H ATOM 327 1HE2 GLN A 21 18.067 -4.273 -11.234 1.00 2.190 H ATOM 328 2HE2 GLN A 21 17.485 -2.628 -11.134 1.00 2.190 H ATOM 329 N MET A 22 21.807 1.201 -12.338 1.00 1.210 N ATOM 330 CA MET A 22 22.991 2.026 -12.586 1.00 1.220 C ATOM 331 C MET A 22 24.081 1.647 -11.582 1.00 1.100 C ATOM 332 O MET A 22 25.261 1.586 -11.938 1.00 1.160 O ATOM 333 CB MET A 22 22.656 3.517 -12.531 1.00 1.700 C ATOM 334 CG MET A 22 21.766 3.970 -13.715 1.00 1.700 C ATOM 335 SD MET A 22 21.490 5.776 -13.876 1.00 1.700 S ATOM 336 CE MET A 22 20.274 6.146 -12.614 1.00 1.700 C ATOM 337 H MET A 22 20.903 1.620 -12.120 1.00 1.450 H ATOM 338 HA MET A 22 23.366 1.803 -13.584 1.00 1.460 H ATOM 339 1HB MET A 22 22.208 3.755 -11.593 1.00 2.040 H ATOM 340 2HB MET A 22 23.583 4.089 -12.590 1.00 2.040 H ATOM 341 1HG MET A 22 22.229 3.619 -14.635 1.00 2.040 H ATOM 342 2HG MET A 22 20.796 3.484 -13.628 1.00 2.040 H ATOM 343 1HE MET A 22 20.017 7.186 -12.646 1.00 2.040 H ATOM 344 2HE MET A 22 19.387 5.564 -12.780 1.00 2.040 H ATOM 345 3HE MET A 22 20.684 5.931 -11.649 1.00 2.040 H ATOM 346 N GLU A 23 23.683 1.334 -10.338 1.00 0.990 N ATOM 347 CA GLU A 23 24.655 0.898 -9.342 1.00 0.950 C ATOM 348 C GLU A 23 25.392 -0.352 -9.843 1.00 0.940 C ATOM 349 O GLU A 23 26.578 -0.551 -9.555 1.00 0.970 O ATOM 350 CB GLU A 23 23.995 0.594 -7.995 1.00 1.350 C ATOM 351 CG GLU A 23 25.015 0.267 -6.894 1.00 1.350 C ATOM 352 CD GLU A 23 24.420 -0.020 -5.545 1.00 1.350 C ATOM 353 OE1 GLU A 23 23.235 -0.152 -5.450 1.00 1.350 O ATOM 354 OE2 GLU A 23 25.173 -0.113 -4.602 1.00 1.350 O ATOM 355 H GLU A 23 22.698 1.444 -10.067 1.00 1.190 H ATOM 356 HA GLU A 23 25.385 1.693 -9.195 1.00 1.140 H ATOM 357 1HB GLU A 23 23.400 1.453 -7.673 1.00 1.620 H ATOM 358 2HB GLU A 23 23.315 -0.254 -8.102 1.00 1.620 H ATOM 359 1HG GLU A 23 25.578 -0.608 -7.201 1.00 1.620 H ATOM 360 2HG GLU A 23 25.717 1.100 -6.811 1.00 1.620 H ATOM 361 N ALA A 24 24.684 -1.262 -10.526 1.00 0.950 N ATOM 362 CA ALA A 24 25.349 -2.453 -11.018 1.00 1.020 C ATOM 363 C ALA A 24 26.412 -2.053 -12.025 1.00 1.090 C ATOM 364 O ALA A 24 27.543 -2.525 -11.948 1.00 1.150 O ATOM 365 CB ALA A 24 24.364 -3.421 -11.646 1.00 1.400 C ATOM 366 H ALA A 24 23.706 -1.096 -10.742 1.00 1.140 H ATOM 367 HA ALA A 24 25.839 -2.944 -10.177 1.00 1.220 H ATOM 368 1HB ALA A 24 24.900 -4.311 -11.994 1.00 1.680 H ATOM 369 2HB ALA A 24 23.616 -3.709 -10.909 1.00 1.680 H ATOM 370 3HB ALA A 24 23.873 -2.952 -12.489 1.00 1.680 H ATOM 371 N ARG A 25 26.094 -1.084 -12.894 1.00 1.140 N ATOM 372 CA ARG A 25 27.075 -0.661 -13.894 1.00 1.270 C ATOM 373 C ARG A 25 28.341 -0.157 -13.205 1.00 1.250 C ATOM 374 O ARG A 25 29.450 -0.409 -13.669 1.00 1.330 O ATOM 375 CB ARG A 25 26.546 0.453 -14.793 1.00 1.730 C ATOM 376 CG ARG A 25 25.340 0.115 -15.673 1.00 1.730 C ATOM 377 CD ARG A 25 25.617 -0.916 -16.729 1.00 1.730 C ATOM 378 NE ARG A 25 24.431 -1.136 -17.563 1.00 1.730 N ATOM 379 CZ ARG A 25 23.435 -1.998 -17.247 1.00 1.730 C ATOM 380 NH1 ARG A 25 23.498 -2.709 -16.134 1.00 1.730 N ATOM 381 NH2 ARG A 25 22.395 -2.124 -18.046 1.00 1.730 N ATOM 382 H ARG A 25 25.128 -0.734 -12.895 1.00 1.370 H ATOM 383 HA ARG A 25 27.340 -1.523 -14.508 1.00 1.520 H ATOM 384 1HB ARG A 25 26.279 1.315 -14.191 1.00 2.070 H ATOM 385 2HB ARG A 25 27.344 0.762 -15.449 1.00 2.070 H ATOM 386 1HG ARG A 25 24.536 -0.250 -15.035 1.00 2.070 H ATOM 387 2HG ARG A 25 25.007 1.023 -16.178 1.00 2.070 H ATOM 388 1HD ARG A 25 26.412 -0.579 -17.370 1.00 2.070 H ATOM 389 2HD ARG A 25 25.909 -1.862 -16.281 1.00 2.070 H ATOM 390 HE ARG A 25 24.351 -0.602 -18.458 1.00 2.070 H ATOM 391 1HH1 ARG A 25 24.299 -2.619 -15.527 1.00 2.070 H ATOM 392 2HH1 ARG A 25 22.757 -3.351 -15.895 1.00 2.070 H ATOM 393 1HH2 ARG A 25 22.345 -1.574 -18.903 1.00 2.070 H ATOM 394 2HH2 ARG A 25 21.652 -2.753 -17.794 1.00 2.070 H ATOM 395 N GLN A 26 28.173 0.536 -12.076 1.00 1.210 N ATOM 396 CA GLN A 26 29.315 1.057 -11.326 1.00 1.290 C ATOM 397 C GLN A 26 30.178 -0.098 -10.785 1.00 1.270 C ATOM 398 O GLN A 26 31.408 -0.034 -10.767 1.00 1.400 O ATOM 399 CB GLN A 26 28.847 1.879 -10.108 1.00 1.770 C ATOM 400 CG GLN A 26 28.103 3.178 -10.395 1.00 1.770 C ATOM 401 CD GLN A 26 27.664 3.866 -9.103 1.00 1.770 C ATOM 402 OE1 GLN A 26 27.644 3.262 -8.032 1.00 1.770 O ATOM 403 NE2 GLN A 26 27.325 5.119 -9.206 1.00 1.770 N ATOM 404 H GLN A 26 27.208 0.738 -11.790 1.00 1.450 H ATOM 405 HA GLN A 26 29.925 1.657 -11.988 1.00 1.550 H ATOM 406 1HB GLN A 26 28.209 1.265 -9.484 1.00 2.130 H ATOM 407 2HB GLN A 26 29.719 2.135 -9.509 1.00 2.130 H ATOM 408 1HG GLN A 26 28.698 3.855 -10.959 1.00 2.130 H ATOM 409 2HG GLN A 26 27.207 2.933 -10.959 1.00 2.130 H ATOM 410 1HE2 GLN A 26 27.029 5.624 -8.390 1.00 2.130 H ATOM 411 2HE2 GLN A 26 27.370 5.566 -10.101 1.00 2.130 H ATOM 412 N LYS A 27 29.514 -1.175 -10.342 1.00 1.190 N ATOM 413 CA LYS A 27 30.189 -2.331 -9.746 1.00 1.290 C ATOM 414 C LYS A 27 30.757 -3.325 -10.758 1.00 1.280 C ATOM 415 O LYS A 27 31.706 -4.048 -10.452 1.00 1.420 O ATOM 416 CB LYS A 27 29.242 -3.045 -8.787 1.00 1.770 C ATOM 417 CG LYS A 27 28.926 -2.237 -7.536 1.00 1.770 C ATOM 418 CD LYS A 27 27.967 -2.971 -6.609 1.00 1.770 C ATOM 419 CE LYS A 27 27.687 -2.146 -5.356 1.00 1.770 C ATOM 420 NZ LYS A 27 26.704 -2.809 -4.445 1.00 1.770 N ATOM 421 H LYS A 27 28.487 -1.160 -10.379 1.00 1.430 H ATOM 422 HA LYS A 27 31.028 -1.955 -9.160 1.00 1.550 H ATOM 423 1HB LYS A 27 28.299 -3.250 -9.303 1.00 2.120 H ATOM 424 2HB LYS A 27 29.672 -3.996 -8.487 1.00 2.120 H ATOM 425 1HG LYS A 27 29.851 -2.025 -7.002 1.00 2.120 H ATOM 426 2HG LYS A 27 28.474 -1.286 -7.832 1.00 2.120 H ATOM 427 1HD LYS A 27 27.024 -3.144 -7.134 1.00 2.120 H ATOM 428 2HD LYS A 27 28.391 -3.931 -6.323 1.00 2.120 H ATOM 429 1HE LYS A 27 28.617 -1.990 -4.815 1.00 2.120 H ATOM 430 2HE LYS A 27 27.295 -1.182 -5.656 1.00 2.120 H ATOM 431 1HZ LYS A 27 26.546 -2.213 -3.633 1.00 2.120 H ATOM 432 2HZ LYS A 27 25.824 -2.957 -4.929 1.00 2.120 H ATOM 433 3HZ LYS A 27 27.068 -3.699 -4.144 1.00 2.120 H ATOM 434 N GLU A 28 30.221 -3.339 -11.975 1.00 1.250 N ATOM 435 CA GLU A 28 30.671 -4.244 -13.032 1.00 1.410 C ATOM 436 C GLU A 28 31.920 -3.721 -13.758 1.00 1.490 C ATOM 437 O GLU A 28 32.465 -4.386 -14.640 1.00 1.790 O ATOM 438 CB GLU A 28 29.532 -4.485 -14.039 1.00 1.910 C ATOM 439 CG GLU A 28 28.332 -5.288 -13.479 1.00 1.910 C ATOM 440 CD GLU A 28 27.158 -5.395 -14.440 1.00 1.910 C ATOM 441 OE1 GLU A 28 27.234 -4.847 -15.517 1.00 1.910 O ATOM 442 OE2 GLU A 28 26.184 -6.021 -14.084 1.00 1.910 O ATOM 443 H GLU A 28 29.397 -2.755 -12.152 1.00 1.500 H ATOM 444 HA GLU A 28 30.924 -5.199 -12.571 1.00 1.690 H ATOM 445 1HB GLU A 28 29.153 -3.516 -14.381 1.00 2.290 H ATOM 446 2HB GLU A 28 29.916 -5.013 -14.911 1.00 2.290 H ATOM 447 1HG GLU A 28 28.683 -6.294 -13.256 1.00 2.290 H ATOM 448 2HG GLU A 28 28.000 -4.850 -12.546 1.00 2.290 H ATOM 449 N CYS A 29 32.354 -2.520 -13.394 1.00 1.370 N ATOM 450 CA CYS A 29 33.517 -1.873 -13.991 1.00 1.580 C ATOM 451 C CYS A 29 34.805 -2.166 -13.231 1.00 1.650 C ATOM 452 O CYS A 29 34.789 -2.463 -12.036 1.00 1.830 O ATOM 453 CB CYS A 29 33.322 -0.366 -14.036 1.00 2.130 C ATOM 454 SG CYS A 29 32.019 0.144 -15.123 1.00 2.130 S ATOM 455 H CYS A 29 31.853 -2.049 -12.649 1.00 1.640 H ATOM 456 HA CYS A 29 33.622 -2.239 -15.010 1.00 1.900 H ATOM 457 1HB CYS A 29 33.082 -0.005 -13.030 1.00 2.550 H ATOM 458 2HB CYS A 29 34.248 0.119 -14.344 1.00 2.550 H ATOM 459 HG CYS A 29 30.995 -0.313 -14.358 1.00 2.550 H ATOM 460 N GLY A 30 35.943 -2.025 -13.912 1.00 1.870 N ATOM 461 CA GLY A 30 37.219 -2.192 -13.230 1.00 2.010 C ATOM 462 C GLY A 30 37.517 -0.910 -12.472 1.00 1.860 C ATOM 463 O GLY A 30 36.714 0.023 -12.506 1.00 1.690 O ATOM 464 H GLY A 30 35.920 -1.798 -14.895 1.00 2.240 H ATOM 465 1HA GLY A 30 37.169 -3.039 -12.543 1.00 2.410 H ATOM 466 2HA GLY A 30 38.007 -2.393 -13.955 1.00 2.410 H ATOM 467 N ALA A 31 38.656 -0.843 -11.792 1.00 2.080 N ATOM 468 CA ALA A 31 38.940 0.354 -11.013 1.00 2.100 C ATOM 469 C ALA A 31 39.020 1.604 -11.879 1.00 1.710 C ATOM 470 O ALA A 31 39.680 1.619 -12.920 1.00 1.740 O ATOM 471 CB ALA A 31 40.242 0.183 -10.255 1.00 2.930 C ATOM 472 H ALA A 31 39.301 -1.618 -11.799 1.00 2.500 H ATOM 473 HA ALA A 31 38.126 0.490 -10.300 1.00 2.520 H ATOM 474 1HB ALA A 31 40.429 1.070 -9.650 1.00 3.520 H ATOM 475 2HB ALA A 31 40.175 -0.691 -9.609 1.00 3.520 H ATOM 476 3HB ALA A 31 41.057 0.051 -10.964 1.00 3.520 H ATOM 477 N SER A 32 38.400 2.666 -11.380 1.00 1.470 N ATOM 478 CA SER A 32 38.405 3.986 -11.994 1.00 1.210 C ATOM 479 C SER A 32 37.887 4.994 -10.960 1.00 1.080 C ATOM 480 O SER A 32 36.908 4.673 -10.278 1.00 1.110 O ATOM 481 CB SER A 32 37.513 4.012 -13.228 1.00 1.800 C ATOM 482 OG SER A 32 37.490 5.298 -13.799 1.00 1.800 O ATOM 483 H SER A 32 37.871 2.529 -10.532 1.00 1.760 H ATOM 484 HA SER A 32 39.418 4.206 -12.303 1.00 1.450 H ATOM 485 1HB SER A 32 37.877 3.292 -13.961 1.00 2.160 H ATOM 486 2HB SER A 32 36.505 3.716 -12.957 1.00 2.160 H ATOM 487 HG SER A 32 36.882 5.258 -14.562 1.00 2.160 H ATOM 488 N PRO A 33 38.475 6.214 -10.817 1.00 1.150 N ATOM 489 CA PRO A 33 38.011 7.297 -9.938 1.00 1.310 C ATOM 490 C PRO A 33 36.515 7.552 -10.126 1.00 1.320 C ATOM 491 O PRO A 33 35.779 7.815 -9.165 1.00 1.550 O ATOM 492 CB PRO A 33 38.856 8.481 -10.416 1.00 1.970 C ATOM 493 CG PRO A 33 40.146 7.843 -10.899 1.00 1.970 C ATOM 494 CD PRO A 33 39.719 6.539 -11.558 1.00 1.970 C ATOM 495 HA PRO A 33 38.246 7.046 -8.897 1.00 1.570 H ATOM 496 1HB PRO A 33 38.324 9.033 -11.208 1.00 2.360 H ATOM 497 2HB PRO A 33 39.014 9.187 -9.587 1.00 2.360 H ATOM 498 1HG PRO A 33 40.662 8.522 -11.599 1.00 2.360 H ATOM 499 2HG PRO A 33 40.832 7.686 -10.052 1.00 2.360 H ATOM 500 1HD PRO A 33 39.519 6.676 -12.637 1.00 2.360 H ATOM 501 2HD PRO A 33 40.509 5.798 -11.363 1.00 2.360 H ATOM 502 N ASP A 34 36.057 7.371 -11.376 1.00 1.200 N ATOM 503 CA ASP A 34 34.666 7.514 -11.779 1.00 1.430 C ATOM 504 C ASP A 34 33.735 6.792 -10.828 1.00 1.440 C ATOM 505 O ASP A 34 32.658 7.295 -10.512 1.00 1.830 O ATOM 506 CB ASP A 34 34.460 6.884 -13.164 1.00 1.910 C ATOM 507 CG ASP A 34 35.106 7.654 -14.327 1.00 1.910 C ATOM 508 OD1 ASP A 34 35.411 8.823 -14.179 1.00 1.910 O ATOM 509 OD2 ASP A 34 35.320 7.038 -15.364 1.00 1.910 O ATOM 510 H ASP A 34 36.717 7.201 -12.128 1.00 1.440 H ATOM 511 HA ASP A 34 34.408 8.572 -11.800 1.00 1.720 H ATOM 512 1HB ASP A 34 34.874 5.878 -13.150 1.00 2.290 H ATOM 513 2HB ASP A 34 33.393 6.774 -13.346 1.00 2.290 H ATOM 514 N PHE A 35 34.152 5.606 -10.365 1.00 1.180 N ATOM 515 CA PHE A 35 33.316 4.812 -9.503 1.00 1.360 C ATOM 516 C PHE A 35 33.865 4.720 -8.095 1.00 1.290 C ATOM 517 O PHE A 35 33.102 4.525 -7.157 1.00 1.320 O ATOM 518 CB PHE A 35 33.178 3.425 -10.098 1.00 1.830 C ATOM 519 CG PHE A 35 32.640 3.514 -11.452 1.00 1.830 C ATOM 520 CD1 PHE A 35 33.401 3.164 -12.533 1.00 1.830 C ATOM 521 CD2 PHE A 35 31.397 4.001 -11.657 1.00 1.830 C ATOM 522 CE1 PHE A 35 32.905 3.292 -13.783 1.00 1.830 C ATOM 523 CE2 PHE A 35 30.890 4.126 -12.909 1.00 1.830 C ATOM 524 CZ PHE A 35 31.644 3.773 -13.962 1.00 1.830 C ATOM 525 H PHE A 35 35.068 5.238 -10.619 1.00 1.420 H ATOM 526 HA PHE A 35 32.336 5.280 -9.449 1.00 1.630 H ATOM 527 1HB PHE A 35 34.155 2.938 -10.138 1.00 2.200 H ATOM 528 2HB PHE A 35 32.512 2.809 -9.492 1.00 2.200 H ATOM 529 HD1 PHE A 35 34.407 2.780 -12.380 1.00 2.200 H ATOM 530 HD2 PHE A 35 30.814 4.293 -10.797 1.00 2.200 H ATOM 531 HE1 PHE A 35 33.515 3.006 -14.640 1.00 2.200 H ATOM 532 HE2 PHE A 35 29.887 4.516 -13.062 1.00 2.200 H ATOM 533 HZ PHE A 35 31.251 3.877 -14.938 1.00 2.200 H ATOM 534 N SER A 36 35.172 4.923 -7.900 1.00 1.280 N ATOM 535 CA SER A 36 35.729 4.817 -6.548 1.00 1.270 C ATOM 536 C SER A 36 35.035 5.847 -5.654 1.00 1.250 C ATOM 537 O SER A 36 34.684 5.581 -4.501 1.00 1.330 O ATOM 538 CB SER A 36 37.227 5.065 -6.548 1.00 1.780 C ATOM 539 OG SER A 36 37.921 4.062 -7.248 1.00 1.780 O ATOM 540 H SER A 36 35.797 5.071 -8.695 1.00 1.540 H ATOM 541 HA SER A 36 35.532 3.818 -6.159 1.00 1.520 H ATOM 542 1HB SER A 36 37.427 6.032 -6.995 1.00 2.140 H ATOM 543 2HB SER A 36 37.583 5.104 -5.521 1.00 2.140 H ATOM 544 HG SER A 36 38.853 4.286 -7.171 1.00 2.140 H ATOM 545 N ALA A 37 34.763 7.013 -6.236 1.00 1.240 N ATOM 546 CA ALA A 37 34.084 8.128 -5.587 1.00 1.300 C ATOM 547 C ALA A 37 32.657 7.771 -5.129 1.00 1.190 C ATOM 548 O ALA A 37 32.072 8.483 -4.312 1.00 1.360 O ATOM 549 CB ALA A 37 34.038 9.306 -6.544 1.00 1.800 C ATOM 550 H ALA A 37 35.096 7.156 -7.198 1.00 1.490 H ATOM 551 HA ALA A 37 34.659 8.404 -4.703 1.00 1.560 H ATOM 552 1HB ALA A 37 33.563 10.154 -6.059 1.00 2.160 H ATOM 553 2HB ALA A 37 35.053 9.571 -6.837 1.00 2.160 H ATOM 554 3HB ALA A 37 33.479 9.035 -7.429 1.00 2.160 H ATOM 555 N PHE A 38 32.087 6.726 -5.732 1.00 1.000 N ATOM 556 CA PHE A 38 30.747 6.210 -5.523 1.00 0.980 C ATOM 557 C PHE A 38 30.766 4.816 -4.894 1.00 0.980 C ATOM 558 O PHE A 38 29.774 4.085 -4.978 1.00 1.100 O ATOM 559 CB PHE A 38 30.013 6.175 -6.864 1.00 1.380 C ATOM 560 CG PHE A 38 29.716 7.538 -7.424 1.00 1.380 C ATOM 561 CD1 PHE A 38 30.692 8.275 -8.055 1.00 1.380 C ATOM 562 CD2 PHE A 38 28.438 8.069 -7.367 1.00 1.380 C ATOM 563 CE1 PHE A 38 30.414 9.522 -8.579 1.00 1.380 C ATOM 564 CE2 PHE A 38 28.158 9.292 -7.910 1.00 1.380 C ATOM 565 CZ PHE A 38 29.141 10.025 -8.507 1.00 1.380 C ATOM 566 H PHE A 38 32.655 6.170 -6.363 1.00 1.200 H ATOM 567 HA PHE A 38 30.223 6.886 -4.858 1.00 1.180 H ATOM 568 1HB PHE A 38 30.624 5.636 -7.589 1.00 1.660 H ATOM 569 2HB PHE A 38 29.091 5.629 -6.763 1.00 1.660 H ATOM 570 HD1 PHE A 38 31.695 7.867 -8.140 1.00 1.660 H ATOM 571 HD2 PHE A 38 27.643 7.505 -6.904 1.00 1.660 H ATOM 572 HE1 PHE A 38 31.205 10.089 -9.070 1.00 1.660 H ATOM 573 HE2 PHE A 38 27.155 9.673 -7.875 1.00 1.660 H ATOM 574 HZ PHE A 38 28.911 10.994 -8.930 1.00 1.660 H ATOM 575 N ALA A 39 31.883 4.451 -4.250 1.00 1.080 N ATOM 576 CA ALA A 39 32.016 3.156 -3.590 1.00 1.230 C ATOM 577 C ALA A 39 31.495 3.183 -2.142 1.00 1.260 C ATOM 578 O ALA A 39 32.039 2.372 -1.392 1.00 1.510 O ATOM 579 CB ALA A 39 33.470 2.722 -3.612 1.00 1.660 C ATOM 580 H ALA A 39 32.687 5.083 -4.235 1.00 1.300 H ATOM 581 HA ALA A 39 31.421 2.432 -4.146 1.00 1.480 H ATOM 582 1HB ALA A 39 33.569 1.740 -3.155 1.00 1.990 H ATOM 583 2HB ALA A 39 33.812 2.681 -4.646 1.00 1.990 H ATOM 584 3HB ALA A 39 34.069 3.445 -3.062 1.00 1.990 H ATOM 585 N LEU A 40 30.169 3.273 -2.132 1.00 1.400 N ATOM 586 CA LEU A 40 29.458 3.940 -1.055 1.00 1.710 C ATOM 587 C LEU A 40 28.177 3.189 -0.740 1.00 1.860 C ATOM 588 O LEU A 40 27.823 2.208 -1.400 1.00 2.520 O ATOM 589 CB LEU A 40 29.051 5.383 -1.397 1.00 2.270 C ATOM 590 CG LEU A 40 30.117 6.407 -1.723 1.00 2.270 C ATOM 591 CD1 LEU A 40 29.404 7.650 -2.225 1.00 2.270 C ATOM 592 CD2 LEU A 40 30.972 6.703 -0.524 1.00 2.270 C ATOM 593 H LEU A 40 29.714 2.394 -2.338 1.00 1.680 H ATOM 594 HA LEU A 40 30.079 3.933 -0.162 1.00 2.050 H ATOM 595 1HB LEU A 40 28.393 5.330 -2.233 1.00 2.720 H ATOM 596 2HB LEU A 40 28.471 5.785 -0.567 1.00 2.720 H ATOM 597 HG LEU A 40 30.740 6.052 -2.493 1.00 2.720 H ATOM 598 1HD1 LEU A 40 30.143 8.401 -2.492 1.00 2.720 H ATOM 599 2HD1 LEU A 40 28.803 7.407 -3.097 1.00 2.720 H ATOM 600 3HD1 LEU A 40 28.759 8.030 -1.441 1.00 2.720 H ATOM 601 1HD2 LEU A 40 31.719 7.450 -0.797 1.00 2.720 H ATOM 602 2HD2 LEU A 40 30.350 7.087 0.285 1.00 2.720 H ATOM 603 3HD2 LEU A 40 31.479 5.799 -0.195 1.00 2.720 H ATOM 604 N ASP A 41 27.507 3.663 0.293 1.00 1.700 N ATOM 605 CA ASP A 41 26.189 3.240 0.724 1.00 2.050 C ATOM 606 C ASP A 41 25.202 3.960 -0.211 1.00 1.760 C ATOM 607 O ASP A 41 25.606 4.416 -1.294 1.00 1.550 O ATOM 608 CB ASP A 41 26.008 3.556 2.214 1.00 2.730 C ATOM 609 CG ASP A 41 26.026 5.043 2.519 1.00 2.730 C ATOM 610 OD1 ASP A 41 25.880 5.812 1.592 1.00 2.730 O ATOM 611 OD2 ASP A 41 26.223 5.402 3.655 1.00 2.730 O ATOM 612 H ASP A 41 27.906 4.439 0.806 1.00 2.040 H ATOM 613 HA ASP A 41 26.082 2.164 0.579 1.00 2.460 H ATOM 614 1HB ASP A 41 25.057 3.140 2.560 1.00 3.280 H ATOM 615 2HB ASP A 41 26.798 3.071 2.787 1.00 3.280 H ATOM 616 N GLU A 42 23.918 4.064 0.148 1.00 2.020 N ATOM 617 CA GLU A 42 22.914 4.659 -0.747 1.00 2.160 C ATOM 618 C GLU A 42 23.272 6.074 -1.263 1.00 1.890 C ATOM 619 O GLU A 42 22.680 6.545 -2.242 1.00 2.140 O ATOM 620 CB GLU A 42 21.545 4.648 -0.069 1.00 2.970 C ATOM 621 CG GLU A 42 20.962 3.229 0.102 1.00 2.970 C ATOM 622 CD GLU A 42 21.523 2.483 1.282 1.00 2.970 C ATOM 623 OE1 GLU A 42 22.264 3.079 2.033 1.00 2.970 O ATOM 624 OE2 GLU A 42 21.233 1.325 1.425 1.00 2.970 O ATOM 625 H GLU A 42 23.602 3.700 1.051 1.00 2.420 H ATOM 626 HA GLU A 42 22.841 4.010 -1.621 1.00 2.590 H ATOM 627 1HB GLU A 42 21.619 5.118 0.912 1.00 3.560 H ATOM 628 2HB GLU A 42 20.841 5.234 -0.663 1.00 3.560 H ATOM 629 1HG GLU A 42 19.883 3.307 0.217 1.00 3.560 H ATOM 630 2HG GLU A 42 21.161 2.658 -0.801 1.00 3.560 H ATOM 631 N VAL A 43 24.252 6.747 -0.649 1.00 1.610 N ATOM 632 CA VAL A 43 24.678 8.061 -1.105 1.00 1.640 C ATOM 633 C VAL A 43 25.045 8.020 -2.595 1.00 1.540 C ATOM 634 O VAL A 43 24.886 9.034 -3.285 1.00 1.670 O ATOM 635 CB VAL A 43 25.860 8.597 -0.274 1.00 2.280 C ATOM 636 CG1 VAL A 43 26.459 9.866 -0.923 1.00 2.280 C ATOM 637 CG2 VAL A 43 25.360 8.935 1.118 1.00 2.280 C ATOM 638 H VAL A 43 24.731 6.313 0.159 1.00 1.930 H ATOM 639 HA VAL A 43 23.847 8.748 -0.972 1.00 1.970 H ATOM 640 HB VAL A 43 26.634 7.830 -0.209 1.00 2.740 H ATOM 641 1HG1 VAL A 43 27.282 10.225 -0.307 1.00 2.740 H ATOM 642 2HG1 VAL A 43 26.838 9.647 -1.915 1.00 2.740 H ATOM 643 3HG1 VAL A 43 25.693 10.640 -0.993 1.00 2.740 H ATOM 644 1HG2 VAL A 43 26.187 9.302 1.724 1.00 2.740 H ATOM 645 2HG2 VAL A 43 24.590 9.699 1.052 1.00 2.740 H ATOM 646 3HG2 VAL A 43 24.943 8.043 1.584 1.00 2.740 H ATOM 647 N SER A 44 25.627 6.905 -3.085 1.00 1.550 N ATOM 648 CA SER A 44 25.998 6.845 -4.496 1.00 1.550 C ATOM 649 C SER A 44 24.792 6.978 -5.422 1.00 1.440 C ATOM 650 O SER A 44 24.919 7.520 -6.523 1.00 1.380 O ATOM 651 CB SER A 44 26.659 5.523 -4.830 1.00 2.170 C ATOM 652 OG SER A 44 25.752 4.465 -4.707 1.00 2.170 O ATOM 653 H SER A 44 25.744 6.075 -2.488 1.00 1.860 H ATOM 654 HA SER A 44 26.688 7.663 -4.702 1.00 1.860 H ATOM 655 1HB SER A 44 27.018 5.550 -5.844 1.00 2.600 H ATOM 656 2HB SER A 44 27.507 5.356 -4.201 1.00 2.600 H ATOM 657 HG SER A 44 26.254 3.664 -4.922 1.00 2.600 H ATOM 658 N MET A 45 23.611 6.531 -4.978 1.00 1.490 N ATOM 659 CA MET A 45 22.408 6.629 -5.780 1.00 1.480 C ATOM 660 C MET A 45 21.845 8.018 -5.615 1.00 1.350 C ATOM 661 O MET A 45 21.274 8.587 -6.541 1.00 1.360 O ATOM 662 CB MET A 45 21.414 5.540 -5.400 1.00 2.080 C ATOM 663 CG MET A 45 21.862 4.130 -5.843 1.00 2.080 C ATOM 664 SD MET A 45 20.615 2.849 -5.588 1.00 2.080 S ATOM 665 CE MET A 45 20.783 2.566 -3.822 1.00 2.080 C ATOM 666 H MET A 45 23.537 6.117 -4.051 1.00 1.790 H ATOM 667 HA MET A 45 22.670 6.495 -6.827 1.00 1.780 H ATOM 668 1HB MET A 45 21.288 5.541 -4.318 1.00 2.490 H ATOM 669 2HB MET A 45 20.444 5.755 -5.848 1.00 2.490 H ATOM 670 1HG MET A 45 22.115 4.146 -6.904 1.00 2.490 H ATOM 671 2HG MET A 45 22.764 3.847 -5.292 1.00 2.490 H ATOM 672 1HE MET A 45 20.081 1.794 -3.507 1.00 2.490 H ATOM 673 2HE MET A 45 21.806 2.236 -3.605 1.00 2.490 H ATOM 674 3HE MET A 45 20.576 3.484 -3.276 1.00 2.490 H ATOM 675 N ASN A 46 22.028 8.615 -4.442 1.00 1.290 N ATOM 676 CA ASN A 46 21.513 9.966 -4.280 1.00 1.270 C ATOM 677 C ASN A 46 22.238 10.879 -5.281 1.00 1.120 C ATOM 678 O ASN A 46 21.614 11.706 -5.959 1.00 1.130 O ATOM 679 CB ASN A 46 21.729 10.468 -2.865 1.00 1.790 C ATOM 680 CG ASN A 46 20.859 9.780 -1.852 1.00 1.790 C ATOM 681 OD1 ASN A 46 19.862 9.125 -2.178 1.00 1.790 O ATOM 682 ND2 ASN A 46 21.219 9.928 -0.606 1.00 1.790 N ATOM 683 H ASN A 46 22.454 8.088 -3.673 1.00 1.550 H ATOM 684 HA ASN A 46 20.448 9.979 -4.514 1.00 1.520 H ATOM 685 1HB ASN A 46 22.771 10.329 -2.586 1.00 2.140 H ATOM 686 2HB ASN A 46 21.526 11.536 -2.831 1.00 2.140 H ATOM 687 1HD2 ASN A 46 20.683 9.500 0.123 1.00 2.140 H ATOM 688 2HD2 ASN A 46 22.020 10.479 -0.379 1.00 2.140 H ATOM 689 N LYS A 47 23.557 10.676 -5.417 1.00 1.060 N ATOM 690 CA LYS A 47 24.359 11.455 -6.350 1.00 1.000 C ATOM 691 C LYS A 47 24.029 11.140 -7.813 1.00 0.910 C ATOM 692 O LYS A 47 23.860 12.058 -8.626 1.00 0.890 O ATOM 693 CB LYS A 47 25.836 11.211 -6.079 1.00 1.420 C ATOM 694 CG LYS A 47 26.381 11.822 -4.806 1.00 1.420 C ATOM 695 CD LYS A 47 27.850 11.442 -4.618 1.00 1.420 C ATOM 696 CE LYS A 47 28.461 12.128 -3.407 1.00 1.420 C ATOM 697 NZ LYS A 47 29.851 11.674 -3.168 1.00 1.420 N ATOM 698 H LYS A 47 24.009 9.990 -4.802 1.00 1.270 H ATOM 699 HA LYS A 47 24.145 12.511 -6.182 1.00 1.200 H ATOM 700 1HB LYS A 47 26.000 10.136 -6.001 1.00 1.710 H ATOM 701 2HB LYS A 47 26.422 11.591 -6.910 1.00 1.710 H ATOM 702 1HG LYS A 47 26.285 12.906 -4.851 1.00 1.710 H ATOM 703 2HG LYS A 47 25.801 11.456 -3.956 1.00 1.710 H ATOM 704 1HD LYS A 47 27.924 10.357 -4.484 1.00 1.710 H ATOM 705 2HD LYS A 47 28.417 11.715 -5.507 1.00 1.710 H ATOM 706 1HE LYS A 47 28.466 13.203 -3.578 1.00 1.710 H ATOM 707 2HE LYS A 47 27.862 11.916 -2.526 1.00 1.710 H ATOM 708 1HZ LYS A 47 30.235 12.148 -2.364 1.00 1.710 H ATOM 709 2HZ LYS A 47 29.836 10.676 -2.995 1.00 1.710 H ATOM 710 3HZ LYS A 47 30.424 11.870 -3.978 1.00 1.710 H ATOM 711 N VAL A 48 23.902 9.852 -8.161 1.00 0.940 N ATOM 712 CA VAL A 48 23.576 9.514 -9.534 1.00 0.950 C ATOM 713 C VAL A 48 22.193 10.014 -9.903 1.00 0.900 C ATOM 714 O VAL A 48 22.018 10.527 -11.006 1.00 0.860 O ATOM 715 CB VAL A 48 23.713 8.011 -9.821 1.00 1.330 C ATOM 716 CG1 VAL A 48 23.162 7.674 -11.215 1.00 1.330 C ATOM 717 CG2 VAL A 48 25.169 7.644 -9.785 1.00 1.330 C ATOM 718 H VAL A 48 24.069 9.108 -7.478 1.00 1.130 H ATOM 719 HA VAL A 48 24.294 10.020 -10.178 1.00 1.140 H ATOM 720 HB VAL A 48 23.157 7.444 -9.076 1.00 1.590 H ATOM 721 1HG1 VAL A 48 23.283 6.610 -11.400 1.00 1.590 H ATOM 722 2HG1 VAL A 48 22.113 7.924 -11.273 1.00 1.590 H ATOM 723 3HG1 VAL A 48 23.707 8.237 -11.980 1.00 1.590 H ATOM 724 1HG2 VAL A 48 25.257 6.589 -9.992 1.00 1.590 H ATOM 725 2HG2 VAL A 48 25.704 8.211 -10.539 1.00 1.590 H ATOM 726 3HG2 VAL A 48 25.585 7.864 -8.816 1.00 1.590 H ATOM 727 N THR A 49 21.196 9.851 -9.032 1.00 0.990 N ATOM 728 CA THR A 49 19.856 10.298 -9.373 1.00 1.080 C ATOM 729 C THR A 49 19.797 11.815 -9.589 1.00 1.020 C ATOM 730 O THR A 49 19.107 12.264 -10.512 1.00 1.040 O ATOM 731 CB THR A 49 18.814 9.821 -8.334 1.00 1.480 C ATOM 732 OG1 THR A 49 19.186 10.239 -7.028 1.00 1.480 O ATOM 733 CG2 THR A 49 18.624 8.302 -8.384 1.00 1.480 C ATOM 734 H THR A 49 21.364 9.409 -8.136 1.00 1.190 H ATOM 735 HA THR A 49 19.582 9.819 -10.307 1.00 1.300 H ATOM 736 HB THR A 49 17.876 10.289 -8.557 1.00 1.770 H ATOM 737 HG1 THR A 49 20.021 9.795 -6.776 1.00 1.770 H ATOM 738 1HG2 THR A 49 17.869 8.001 -7.661 1.00 1.770 H ATOM 739 2HG2 THR A 49 18.303 8.016 -9.385 1.00 1.770 H ATOM 740 3HG2 THR A 49 19.560 7.806 -8.154 1.00 1.770 H ATOM 741 N GLU A 50 20.546 12.629 -8.822 1.00 1.020 N ATOM 742 CA GLU A 50 20.534 14.060 -9.140 1.00 1.080 C ATOM 743 C GLU A 50 21.070 14.300 -10.551 1.00 0.970 C ATOM 744 O GLU A 50 20.476 15.052 -11.342 1.00 1.020 O ATOM 745 CB GLU A 50 21.368 14.899 -8.172 1.00 1.490 C ATOM 746 CG GLU A 50 21.350 16.410 -8.546 1.00 1.490 C ATOM 747 CD GLU A 50 22.122 17.294 -7.636 1.00 1.490 C ATOM 748 OE1 GLU A 50 22.550 16.846 -6.602 1.00 1.490 O ATOM 749 OE2 GLU A 50 22.317 18.439 -8.002 1.00 1.490 O ATOM 750 H GLU A 50 21.054 12.267 -8.004 1.00 1.220 H ATOM 751 HA GLU A 50 19.505 14.412 -9.101 1.00 1.300 H ATOM 752 1HB GLU A 50 20.986 14.781 -7.159 1.00 1.790 H ATOM 753 2HB GLU A 50 22.403 14.547 -8.179 1.00 1.790 H ATOM 754 1HG GLU A 50 21.765 16.531 -9.545 1.00 1.790 H ATOM 755 2HG GLU A 50 20.315 16.748 -8.578 1.00 1.790 H ATOM 756 N LYS A 51 22.199 13.647 -10.877 1.00 0.880 N ATOM 757 CA LYS A 51 22.807 13.813 -12.189 1.00 0.880 C ATOM 758 C LYS A 51 21.884 13.325 -13.290 1.00 0.810 C ATOM 759 O LYS A 51 21.758 13.977 -14.324 1.00 0.850 O ATOM 760 CB LYS A 51 24.127 13.038 -12.282 1.00 1.230 C ATOM 761 CG LYS A 51 25.281 13.597 -11.464 1.00 1.230 C ATOM 762 CD LYS A 51 26.541 12.722 -11.628 1.00 1.230 C ATOM 763 CE LYS A 51 27.716 13.220 -10.782 1.00 1.230 C ATOM 764 NZ LYS A 51 28.237 14.550 -11.245 1.00 1.230 N ATOM 765 H LYS A 51 22.651 13.048 -10.175 1.00 1.060 H ATOM 766 HA LYS A 51 22.998 14.873 -12.351 1.00 1.060 H ATOM 767 1HB LYS A 51 23.961 12.012 -11.949 1.00 1.480 H ATOM 768 2HB LYS A 51 24.444 12.990 -13.322 1.00 1.480 H ATOM 769 1HG LYS A 51 25.486 14.613 -11.792 1.00 1.480 H ATOM 770 2HG LYS A 51 24.992 13.624 -10.412 1.00 1.480 H ATOM 771 1HD LYS A 51 26.303 11.701 -11.318 1.00 1.480 H ATOM 772 2HD LYS A 51 26.840 12.701 -12.675 1.00 1.480 H ATOM 773 1HE LYS A 51 27.393 13.307 -9.744 1.00 1.480 H ATOM 774 2HE LYS A 51 28.521 12.489 -10.840 1.00 1.480 H ATOM 775 1HZ LYS A 51 29.013 14.830 -10.659 1.00 1.480 H ATOM 776 2HZ LYS A 51 28.553 14.475 -12.203 1.00 1.480 H ATOM 777 3HZ LYS A 51 27.511 15.246 -11.187 1.00 1.480 H ATOM 778 N THR A 52 21.218 12.201 -13.043 1.00 0.790 N ATOM 779 CA THR A 52 20.333 11.550 -13.986 1.00 0.840 C ATOM 780 C THR A 52 19.192 12.472 -14.344 1.00 0.860 C ATOM 781 O THR A 52 18.846 12.592 -15.520 1.00 0.870 O ATOM 782 CB THR A 52 19.807 10.230 -13.399 1.00 1.160 C ATOM 783 OG1 THR A 52 20.915 9.373 -13.121 1.00 1.160 O ATOM 784 CG2 THR A 52 18.919 9.527 -14.378 1.00 1.160 C ATOM 785 H THR A 52 21.387 11.741 -12.155 1.00 0.950 H ATOM 786 HA THR A 52 20.883 11.330 -14.894 1.00 1.010 H ATOM 787 HB THR A 52 19.259 10.431 -12.490 1.00 1.390 H ATOM 788 HG1 THR A 52 21.462 9.773 -12.416 1.00 1.390 H ATOM 789 1HG2 THR A 52 18.587 8.601 -13.948 1.00 1.390 H ATOM 790 2HG2 THR A 52 18.058 10.145 -14.624 1.00 1.390 H ATOM 791 3HG2 THR A 52 19.488 9.312 -15.271 1.00 1.390 H ATOM 792 N HIS A 53 18.606 13.128 -13.342 1.00 0.920 N ATOM 793 CA HIS A 53 17.516 14.052 -13.589 1.00 1.030 C ATOM 794 C HIS A 53 18.004 15.195 -14.485 1.00 1.030 C ATOM 795 O HIS A 53 17.352 15.549 -15.472 1.00 1.070 O ATOM 796 CB HIS A 53 16.950 14.607 -12.281 1.00 1.400 C ATOM 797 CG HIS A 53 15.696 15.431 -12.461 1.00 1.400 C ATOM 798 ND1 HIS A 53 15.227 16.288 -11.490 1.00 1.400 N ATOM 799 CD2 HIS A 53 14.802 15.496 -13.487 1.00 1.400 C ATOM 800 CE1 HIS A 53 14.106 16.857 -11.910 1.00 1.400 C ATOM 801 NE2 HIS A 53 13.820 16.391 -13.124 1.00 1.400 N ATOM 802 H HIS A 53 18.899 12.933 -12.377 1.00 1.100 H ATOM 803 HA HIS A 53 16.718 13.546 -14.103 1.00 1.240 H ATOM 804 1HB HIS A 53 16.731 13.781 -11.603 1.00 1.680 H ATOM 805 2HB HIS A 53 17.706 15.227 -11.797 1.00 1.680 H ATOM 806 HD1 HIS A 53 15.752 16.618 -10.702 1.00 1.680 H ATOM 807 HD2 HIS A 53 14.744 14.999 -14.453 1.00 1.680 H ATOM 808 HE1 HIS A 53 13.582 17.574 -11.278 1.00 1.680 H ATOM 809 N ARG A 54 19.151 15.789 -14.152 1.00 1.020 N ATOM 810 CA ARG A 54 19.655 16.890 -14.967 1.00 1.090 C ATOM 811 C ARG A 54 19.898 16.443 -16.425 1.00 1.000 C ATOM 812 O ARG A 54 19.540 17.153 -17.379 1.00 1.080 O ATOM 813 CB ARG A 54 20.946 17.417 -14.355 1.00 1.500 C ATOM 814 CG ARG A 54 20.763 18.160 -13.017 1.00 1.500 C ATOM 815 CD ARG A 54 22.065 18.633 -12.437 1.00 1.500 C ATOM 816 NE ARG A 54 21.893 19.261 -11.110 1.00 1.500 N ATOM 817 CZ ARG A 54 21.531 20.531 -10.873 1.00 1.500 C ATOM 818 NH1 ARG A 54 21.273 21.385 -11.853 1.00 1.500 N ATOM 819 NH2 ARG A 54 21.443 20.896 -9.614 1.00 1.500 N ATOM 820 H ARG A 54 19.664 15.483 -13.315 1.00 1.220 H ATOM 821 HA ARG A 54 18.912 17.687 -14.962 1.00 1.310 H ATOM 822 1HB ARG A 54 21.624 16.584 -14.174 1.00 1.800 H ATOM 823 2HB ARG A 54 21.434 18.092 -15.055 1.00 1.800 H ATOM 824 1HG ARG A 54 20.115 19.019 -13.171 1.00 1.800 H ATOM 825 2HG ARG A 54 20.301 17.487 -12.293 1.00 1.800 H ATOM 826 1HD ARG A 54 22.723 17.769 -12.313 1.00 1.800 H ATOM 827 2HD ARG A 54 22.538 19.349 -13.105 1.00 1.800 H ATOM 828 HE ARG A 54 22.076 18.696 -10.258 1.00 1.800 H ATOM 829 1HH1 ARG A 54 21.346 21.093 -12.815 1.00 1.800 H ATOM 830 2HH1 ARG A 54 21.003 22.335 -11.639 1.00 1.800 H ATOM 831 1HH2 ARG A 54 21.659 20.186 -8.891 1.00 1.800 H ATOM 832 2HH2 ARG A 54 21.178 21.835 -9.361 1.00 1.800 H ATOM 833 N VAL A 55 20.456 15.237 -16.581 1.00 0.890 N ATOM 834 CA VAL A 55 20.751 14.653 -17.880 1.00 0.890 C ATOM 835 C VAL A 55 19.506 14.353 -18.702 1.00 0.900 C ATOM 836 O VAL A 55 19.495 14.644 -19.904 1.00 0.980 O ATOM 837 CB VAL A 55 21.611 13.382 -17.720 1.00 1.250 C ATOM 838 CG1 VAL A 55 21.746 12.647 -19.030 1.00 1.250 C ATOM 839 CG2 VAL A 55 22.991 13.776 -17.258 1.00 1.250 C ATOM 840 H VAL A 55 20.731 14.721 -15.741 1.00 1.070 H ATOM 841 HA VAL A 55 21.346 15.377 -18.434 1.00 1.070 H ATOM 842 HB VAL A 55 21.139 12.720 -16.995 1.00 1.500 H ATOM 843 1HG1 VAL A 55 22.349 11.763 -18.879 1.00 1.500 H ATOM 844 2HG1 VAL A 55 20.779 12.354 -19.379 1.00 1.500 H ATOM 845 3HG1 VAL A 55 22.214 13.293 -19.771 1.00 1.500 H ATOM 846 1HG2 VAL A 55 23.604 12.888 -17.138 1.00 1.500 H ATOM 847 2HG2 VAL A 55 23.432 14.429 -18.000 1.00 1.500 H ATOM 848 3HG2 VAL A 55 22.941 14.303 -16.325 1.00 1.500 H ATOM 849 N LEU A 56 18.456 13.775 -18.096 1.00 0.910 N ATOM 850 CA LEU A 56 17.284 13.446 -18.894 1.00 1.050 C ATOM 851 C LEU A 56 16.590 14.699 -19.364 1.00 1.150 C ATOM 852 O LEU A 56 15.992 14.692 -20.441 1.00 1.260 O ATOM 853 CB LEU A 56 16.292 12.557 -18.107 1.00 1.410 C ATOM 854 CG LEU A 56 15.472 13.177 -16.954 1.00 1.410 C ATOM 855 CD1 LEU A 56 14.124 13.750 -17.433 1.00 1.410 C ATOM 856 CD2 LEU A 56 15.263 12.126 -15.926 1.00 1.410 C ATOM 857 H LEU A 56 18.517 13.506 -17.108 1.00 1.090 H ATOM 858 HA LEU A 56 17.615 12.888 -19.768 1.00 1.260 H ATOM 859 1HB LEU A 56 15.599 12.114 -18.808 1.00 1.700 H ATOM 860 2HB LEU A 56 16.853 11.771 -17.647 1.00 1.700 H ATOM 861 HG LEU A 56 16.017 13.971 -16.523 1.00 1.700 H ATOM 862 1HD1 LEU A 56 13.580 14.162 -16.581 1.00 1.700 H ATOM 863 2HD1 LEU A 56 14.241 14.524 -18.165 1.00 1.700 H ATOM 864 3HD1 LEU A 56 13.567 12.967 -17.862 1.00 1.700 H ATOM 865 1HD2 LEU A 56 14.712 12.570 -15.116 1.00 1.700 H ATOM 866 2HD2 LEU A 56 14.719 11.314 -16.321 1.00 1.700 H ATOM 867 3HD2 LEU A 56 16.228 11.763 -15.570 1.00 1.700 H ATOM 868 N ARG A 57 16.655 15.785 -18.586 1.00 1.200 N ATOM 869 CA ARG A 57 16.013 17.000 -19.043 1.00 1.330 C ATOM 870 C ARG A 57 16.726 17.511 -20.283 1.00 1.170 C ATOM 871 O ARG A 57 16.073 17.862 -21.266 1.00 1.320 O ATOM 872 CB ARG A 57 15.987 18.043 -17.940 1.00 1.810 C ATOM 873 CG ARG A 57 15.096 17.662 -16.748 1.00 1.810 C ATOM 874 CD ARG A 57 13.639 17.742 -17.046 1.00 1.810 C ATOM 875 NE ARG A 57 12.859 17.378 -15.876 1.00 1.810 N ATOM 876 CZ ARG A 57 11.529 17.320 -15.777 1.00 1.810 C ATOM 877 NH1 ARG A 57 10.727 17.637 -16.778 1.00 1.810 N ATOM 878 NH2 ARG A 57 11.064 16.932 -14.617 1.00 1.810 N ATOM 879 H ARG A 57 17.110 15.735 -17.665 1.00 1.440 H ATOM 880 HA ARG A 57 14.992 16.765 -19.330 1.00 1.600 H ATOM 881 1HB ARG A 57 16.999 18.187 -17.557 1.00 2.170 H ATOM 882 2HB ARG A 57 15.643 18.996 -18.338 1.00 2.170 H ATOM 883 1HG ARG A 57 15.305 16.635 -16.467 1.00 2.170 H ATOM 884 2HG ARG A 57 15.314 18.312 -15.899 1.00 2.170 H ATOM 885 1HD ARG A 57 13.381 18.760 -17.333 1.00 2.170 H ATOM 886 2HD ARG A 57 13.383 17.061 -17.841 1.00 2.170 H ATOM 887 HE ARG A 57 13.362 17.103 -15.024 1.00 2.170 H ATOM 888 1HH1 ARG A 57 11.109 17.944 -17.658 1.00 2.170 H ATOM 889 2HH1 ARG A 57 9.725 17.584 -16.660 1.00 2.170 H ATOM 890 1HH2 ARG A 57 11.768 16.700 -13.894 1.00 2.170 H ATOM 891 2HH2 ARG A 57 10.072 16.862 -14.447 1.00 2.170 H ATOM 892 N VAL A 58 18.063 17.467 -20.288 1.00 1.030 N ATOM 893 CA VAL A 58 18.797 17.919 -21.462 1.00 1.130 C ATOM 894 C VAL A 58 18.484 17.051 -22.672 1.00 1.080 C ATOM 895 O VAL A 58 18.296 17.570 -23.774 1.00 1.180 O ATOM 896 CB VAL A 58 20.318 17.916 -21.214 1.00 1.540 C ATOM 897 CG1 VAL A 58 21.091 18.205 -22.542 1.00 1.540 C ATOM 898 CG2 VAL A 58 20.650 18.968 -20.169 1.00 1.540 C ATOM 899 H VAL A 58 18.559 17.183 -19.433 1.00 1.240 H ATOM 900 HA VAL A 58 18.485 18.941 -21.682 1.00 1.360 H ATOM 901 HB VAL A 58 20.623 16.930 -20.851 1.00 1.850 H ATOM 902 1HG1 VAL A 58 22.163 18.199 -22.345 1.00 1.850 H ATOM 903 2HG1 VAL A 58 20.870 17.446 -23.290 1.00 1.850 H ATOM 904 3HG1 VAL A 58 20.800 19.183 -22.928 1.00 1.850 H ATOM 905 1HG2 VAL A 58 21.721 18.965 -19.977 1.00 1.850 H ATOM 906 2HG2 VAL A 58 20.348 19.948 -20.533 1.00 1.850 H ATOM 907 3HG2 VAL A 58 20.118 18.748 -19.247 1.00 1.850 H ATOM 908 N MET A 59 18.492 15.728 -22.487 1.00 1.080 N ATOM 909 CA MET A 59 18.221 14.808 -23.585 1.00 1.300 C ATOM 910 C MET A 59 16.816 14.998 -24.162 1.00 1.360 C ATOM 911 O MET A 59 16.647 15.003 -25.386 1.00 1.840 O ATOM 912 CB MET A 59 18.473 13.380 -23.111 1.00 1.730 C ATOM 913 CG MET A 59 19.959 13.099 -22.874 1.00 1.730 C ATOM 914 SD MET A 59 20.310 11.543 -22.035 1.00 1.730 S ATOM 915 CE MET A 59 19.913 10.272 -23.155 1.00 1.730 C ATOM 916 H MET A 59 18.694 15.357 -21.552 1.00 1.300 H ATOM 917 HA MET A 59 18.931 15.022 -24.382 1.00 1.560 H ATOM 918 1HB MET A 59 17.941 13.209 -22.176 1.00 2.080 H ATOM 919 2HB MET A 59 18.091 12.675 -23.847 1.00 2.080 H ATOM 920 1HG MET A 59 20.473 13.101 -23.829 1.00 2.080 H ATOM 921 2HG MET A 59 20.376 13.908 -22.272 1.00 2.080 H ATOM 922 1HE MET A 59 20.132 9.327 -22.672 1.00 2.080 H ATOM 923 2HE MET A 59 18.858 10.316 -23.405 1.00 2.080 H ATOM 924 3HE MET A 59 20.506 10.360 -24.052 1.00 2.080 H ATOM 925 N GLU A 60 15.809 15.200 -23.309 1.00 1.230 N ATOM 926 CA GLU A 60 14.447 15.407 -23.786 1.00 1.490 C ATOM 927 C GLU A 60 14.303 16.716 -24.569 1.00 1.810 C ATOM 928 O GLU A 60 13.705 16.751 -25.649 1.00 2.160 O ATOM 929 CB GLU A 60 13.509 15.493 -22.582 1.00 1.980 C ATOM 930 CG GLU A 60 12.011 15.669 -22.865 1.00 1.980 C ATOM 931 CD GLU A 60 11.318 14.470 -23.381 1.00 1.980 C ATOM 932 OE1 GLU A 60 11.900 13.636 -24.053 1.00 1.980 O ATOM 933 OE2 GLU A 60 10.183 14.341 -23.010 1.00 1.980 O ATOM 934 H GLU A 60 15.976 15.156 -22.298 1.00 1.480 H ATOM 935 HA GLU A 60 14.173 14.572 -24.430 1.00 1.790 H ATOM 936 1HB GLU A 60 13.622 14.587 -21.984 1.00 2.380 H ATOM 937 2HB GLU A 60 13.823 16.325 -21.948 1.00 2.380 H ATOM 938 1HG GLU A 60 11.504 16.026 -21.989 1.00 2.380 H ATOM 939 2HG GLU A 60 11.907 16.454 -23.610 1.00 2.380 H ATOM 940 N ILE A 61 14.879 17.788 -24.024 1.00 2.120 N ATOM 941 CA ILE A 61 14.792 19.129 -24.582 1.00 2.750 C ATOM 942 C ILE A 61 15.541 19.297 -25.893 1.00 2.740 C ATOM 943 O ILE A 61 15.041 19.935 -26.820 1.00 3.030 O ATOM 944 CB ILE A 61 15.276 20.175 -23.552 1.00 3.600 C ATOM 945 CG1 ILE A 61 14.275 20.200 -22.360 1.00 3.600 C ATOM 946 CG2 ILE A 61 15.393 21.582 -24.215 1.00 3.600 C ATOM 947 CD1 ILE A 61 14.770 20.945 -21.129 1.00 3.600 C ATOM 948 H ILE A 61 15.372 17.677 -23.132 1.00 2.540 H ATOM 949 HA ILE A 61 13.742 19.332 -24.779 1.00 3.300 H ATOM 950 HB ILE A 61 16.250 19.868 -23.160 1.00 4.320 H ATOM 951 1HG1 ILE A 61 13.348 20.661 -22.694 1.00 4.320 H ATOM 952 2HG1 ILE A 61 14.059 19.173 -22.068 1.00 4.320 H ATOM 953 1HG2 ILE A 61 15.734 22.307 -23.490 1.00 4.320 H ATOM 954 2HG2 ILE A 61 16.100 21.557 -25.031 1.00 4.320 H ATOM 955 3HG2 ILE A 61 14.417 21.884 -24.599 1.00 4.320 H ATOM 956 1HD1 ILE A 61 14.008 20.898 -20.352 1.00 4.320 H ATOM 957 2HD1 ILE A 61 15.685 20.474 -20.766 1.00 4.320 H ATOM 958 3HD1 ILE A 61 14.969 21.982 -21.365 1.00 4.320 H ATOM 959 N LYS A 62 16.768 18.783 -25.958 1.00 2.610 N ATOM 960 CA LYS A 62 17.608 18.964 -27.128 1.00 2.740 C ATOM 961 C LYS A 62 17.583 17.819 -28.151 1.00 2.080 C ATOM 962 O LYS A 62 18.434 17.789 -29.033 1.00 2.250 O ATOM 963 CB LYS A 62 19.033 19.262 -26.679 1.00 3.780 C ATOM 964 CG LYS A 62 19.192 20.521 -25.787 1.00 3.780 C ATOM 965 CD LYS A 62 18.839 21.827 -26.531 1.00 3.780 C ATOM 966 CE LYS A 62 19.103 23.055 -25.667 1.00 3.780 C ATOM 967 NZ LYS A 62 18.725 24.321 -26.367 1.00 3.780 N ATOM 968 H LYS A 62 17.157 18.272 -25.159 1.00 3.130 H ATOM 969 HA LYS A 62 17.239 19.835 -27.661 1.00 3.290 H ATOM 970 1HB LYS A 62 19.426 18.404 -26.133 1.00 4.540 H ATOM 971 2HB LYS A 62 19.645 19.423 -27.557 1.00 4.540 H ATOM 972 1HG LYS A 62 18.544 20.418 -24.912 1.00 4.540 H ATOM 973 2HG LYS A 62 20.223 20.578 -25.440 1.00 4.540 H ATOM 974 1HD LYS A 62 19.428 21.898 -27.446 1.00 4.540 H ATOM 975 2HD LYS A 62 17.786 21.834 -26.797 1.00 4.540 H ATOM 976 1HE LYS A 62 18.521 22.973 -24.749 1.00 4.540 H ATOM 977 2HE LYS A 62 20.161 23.095 -25.413 1.00 4.540 H ATOM 978 1HZ LYS A 62 18.911 25.110 -25.763 1.00 4.540 H ATOM 979 2HZ LYS A 62 19.266 24.416 -27.216 1.00 4.540 H ATOM 980 3HZ LYS A 62 17.740 24.299 -26.596 1.00 4.540 H ATOM 981 N GLU A 63 16.595 16.919 -28.044 1.00 1.590 N ATOM 982 CA GLU A 63 16.351 15.769 -28.942 1.00 1.620 C ATOM 983 C GLU A 63 17.368 14.611 -28.969 1.00 1.640 C ATOM 984 O GLU A 63 17.739 14.137 -30.050 1.00 2.060 O ATOM 985 CB GLU A 63 16.219 16.244 -30.401 1.00 2.260 C ATOM 986 CG GLU A 63 15.116 17.193 -30.726 1.00 2.260 C ATOM 987 CD GLU A 63 15.139 17.540 -32.210 1.00 2.260 C ATOM 988 OE1 GLU A 63 16.162 17.308 -32.851 1.00 2.260 O ATOM 989 OE2 GLU A 63 14.147 18.028 -32.702 1.00 2.260 O ATOM 990 H GLU A 63 15.957 17.035 -27.262 1.00 1.910 H ATOM 991 HA GLU A 63 15.394 15.343 -28.639 1.00 1.940 H ATOM 992 1HB GLU A 63 17.101 16.714 -30.716 1.00 2.710 H ATOM 993 2HB GLU A 63 16.078 15.377 -31.046 1.00 2.710 H ATOM 994 1HG GLU A 63 14.159 16.739 -30.471 1.00 2.710 H ATOM 995 2HG GLU A 63 15.233 18.101 -30.134 1.00 2.710 H ATOM 996 N ALA A 64 17.785 14.108 -27.808 1.00 1.620 N ATOM 997 CA ALA A 64 18.640 12.919 -27.758 1.00 1.950 C ATOM 998 C ALA A 64 19.853 13.048 -28.679 1.00 1.430 C ATOM 999 O ALA A 64 20.780 13.813 -28.392 1.00 1.710 O ATOM 1000 CB ALA A 64 17.820 11.670 -28.094 1.00 2.600 C ATOM 1001 H ALA A 64 17.466 14.540 -26.940 1.00 1.940 H ATOM 1002 HA ALA A 64 19.010 12.821 -26.736 1.00 2.340 H ATOM 1003 1HB ALA A 64 18.447 10.785 -28.006 1.00 3.120 H ATOM 1004 2HB ALA A 64 16.994 11.594 -27.403 1.00 3.120 H ATOM 1005 3HB ALA A 64 17.414 11.734 -29.100 1.00 3.120 H ATOM 1006 N VAL A 65 19.852 12.269 -29.765 1.00 1.480 N ATOM 1007 CA VAL A 65 20.933 12.160 -30.739 1.00 1.600 C ATOM 1008 C VAL A 65 21.397 13.494 -31.308 1.00 1.640 C ATOM 1009 O VAL A 65 22.492 13.579 -31.861 1.00 1.990 O ATOM 1010 CB VAL A 65 20.488 11.200 -31.869 1.00 2.190 C ATOM 1011 CG1 VAL A 65 19.400 11.861 -32.719 1.00 2.190 C ATOM 1012 CG2 VAL A 65 21.688 10.779 -32.749 1.00 2.190 C ATOM 1013 H VAL A 65 19.031 11.708 -29.923 1.00 1.780 H ATOM 1014 HA VAL A 65 21.785 11.726 -30.242 1.00 1.920 H ATOM 1015 HB VAL A 65 20.053 10.315 -31.410 1.00 2.630 H ATOM 1016 1HG1 VAL A 65 19.068 11.163 -33.485 1.00 2.630 H ATOM 1017 2HG1 VAL A 65 18.551 12.136 -32.089 1.00 2.630 H ATOM 1018 3HG1 VAL A 65 19.788 12.756 -33.206 1.00 2.630 H ATOM 1019 1HG2 VAL A 65 21.346 10.085 -33.515 1.00 2.630 H ATOM 1020 2HG2 VAL A 65 22.133 11.641 -33.235 1.00 2.630 H ATOM 1021 3HG2 VAL A 65 22.434 10.289 -32.152 1.00 2.630 H ATOM 1022 N SER A 66 20.567 14.527 -31.229 1.00 1.630 N ATOM 1023 CA SER A 66 20.954 15.829 -31.734 1.00 1.900 C ATOM 1024 C SER A 66 21.904 16.563 -30.758 1.00 1.700 C ATOM 1025 O SER A 66 22.586 17.510 -31.166 1.00 1.930 O ATOM 1026 CB SER A 66 19.723 16.684 -31.941 1.00 2.550 C ATOM 1027 OG SER A 66 18.859 16.172 -32.944 1.00 2.550 O ATOM 1028 H SER A 66 19.639 14.407 -30.807 1.00 1.960 H ATOM 1029 HA SER A 66 21.464 15.692 -32.686 1.00 2.280 H ATOM 1030 1HB SER A 66 19.217 16.718 -31.013 1.00 3.060 H ATOM 1031 2HB SER A 66 20.014 17.702 -32.187 1.00 3.060 H ATOM 1032 HG SER A 66 17.990 16.660 -32.846 1.00 3.060 H ATOM 1033 N SER A 67 21.972 16.132 -29.477 1.00 1.460 N ATOM 1034 CA SER A 67 22.833 16.790 -28.488 1.00 1.470 C ATOM 1035 C SER A 67 23.925 15.874 -27.953 1.00 1.300 C ATOM 1036 O SER A 67 24.986 16.348 -27.543 1.00 1.280 O ATOM 1037 CB SER A 67 22.034 17.291 -27.310 1.00 2.050 C ATOM 1038 OG SER A 67 21.453 16.238 -26.590 1.00 2.050 O ATOM 1039 H SER A 67 21.406 15.345 -29.167 1.00 1.750 H ATOM 1040 HA SER A 67 23.313 17.643 -28.966 1.00 1.760 H ATOM 1041 1HB SER A 67 22.672 17.879 -26.653 1.00 2.460 H ATOM 1042 2HB SER A 67 21.270 17.934 -27.682 1.00 2.460 H ATOM 1043 HG SER A 67 21.052 16.638 -25.811 1.00 2.460 H ATOM 1044 N LEU A 68 23.745 14.555 -28.075 1.00 1.260 N ATOM 1045 CA LEU A 68 24.761 13.647 -27.548 1.00 1.200 C ATOM 1046 C LEU A 68 26.134 13.795 -28.227 1.00 1.120 C ATOM 1047 O LEU A 68 27.149 13.564 -27.559 1.00 1.080 O ATOM 1048 CB LEU A 68 24.328 12.180 -27.620 1.00 1.700 C ATOM 1049 CG LEU A 68 23.609 11.533 -26.361 1.00 1.700 C ATOM 1050 CD1 LEU A 68 24.474 11.629 -25.107 1.00 1.700 C ATOM 1051 CD2 LEU A 68 22.272 12.163 -26.161 1.00 1.700 C ATOM 1052 H LEU A 68 22.844 14.214 -28.415 1.00 1.510 H ATOM 1053 HA LEU A 68 24.891 13.895 -26.515 1.00 1.440 H ATOM 1054 1HB LEU A 68 23.615 12.120 -28.424 1.00 2.040 H ATOM 1055 2HB LEU A 68 25.191 11.565 -27.871 1.00 2.040 H ATOM 1056 HG LEU A 68 23.473 10.475 -26.550 1.00 2.040 H ATOM 1057 1HD1 LEU A 68 23.944 11.128 -24.307 1.00 2.040 H ATOM 1058 2HD1 LEU A 68 25.427 11.129 -25.282 1.00 2.040 H ATOM 1059 3HD1 LEU A 68 24.658 12.652 -24.813 1.00 2.040 H ATOM 1060 1HD2 LEU A 68 21.777 11.697 -25.330 1.00 2.040 H ATOM 1061 2HD2 LEU A 68 22.372 13.233 -25.967 1.00 2.040 H ATOM 1062 3HD2 LEU A 68 21.703 12.004 -27.044 1.00 2.040 H ATOM 1063 N PRO A 69 26.256 14.197 -29.513 1.00 1.180 N ATOM 1064 CA PRO A 69 27.519 14.449 -30.183 1.00 1.230 C ATOM 1065 C PRO A 69 28.378 15.479 -29.453 1.00 1.180 C ATOM 1066 O PRO A 69 29.594 15.509 -29.666 1.00 1.280 O ATOM 1067 CB PRO A 69 27.070 14.947 -31.555 1.00 1.840 C ATOM 1068 CG PRO A 69 25.754 14.258 -31.784 1.00 1.840 C ATOM 1069 CD PRO A 69 25.102 14.224 -30.454 1.00 1.840 C ATOM 1070 HA PRO A 69 28.060 13.498 -30.290 1.00 1.480 H ATOM 1071 1HB PRO A 69 26.954 16.038 -31.528 1.00 2.210 H ATOM 1072 2HB PRO A 69 27.826 14.735 -32.306 1.00 2.210 H ATOM 1073 1HG PRO A 69 25.148 14.807 -32.527 1.00 2.210 H ATOM 1074 2HG PRO A 69 25.929 13.255 -32.201 1.00 2.210 H ATOM 1075 1HD PRO A 69 24.542 15.149 -30.423 1.00 2.210 H ATOM 1076 2HD PRO A 69 24.475 13.328 -30.366 1.00 2.210 H ATOM 1077 N SER A 70 27.774 16.327 -28.594 1.00 1.120 N ATOM 1078 CA SER A 70 28.520 17.343 -27.859 1.00 1.180 C ATOM 1079 C SER A 70 29.089 16.800 -26.550 1.00 1.140 C ATOM 1080 O SER A 70 29.882 17.468 -25.882 1.00 1.250 O ATOM 1081 CB SER A 70 27.624 18.529 -27.538 1.00 1.630 C ATOM 1082 OG SER A 70 27.193 19.187 -28.702 1.00 1.630 O ATOM 1083 H SER A 70 26.766 16.295 -28.411 1.00 1.340 H ATOM 1084 HA SER A 70 29.349 17.680 -28.482 1.00 1.420 H ATOM 1085 1HB SER A 70 26.759 18.179 -26.971 1.00 1.950 H ATOM 1086 2HB SER A 70 28.164 19.226 -26.901 1.00 1.950 H ATOM 1087 HG SER A 70 26.688 19.948 -28.400 1.00 1.950 H ATOM 1088 N TYR A 71 28.686 15.587 -26.178 1.00 1.070 N ATOM 1089 CA TYR A 71 29.124 14.968 -24.939 1.00 1.120 C ATOM 1090 C TYR A 71 29.945 13.715 -25.218 1.00 1.150 C ATOM 1091 O TYR A 71 30.822 13.364 -24.429 1.00 1.160 O ATOM 1092 CB TYR A 71 27.911 14.628 -24.079 1.00 1.550 C ATOM 1093 CG TYR A 71 27.086 15.819 -23.741 1.00 1.550 C ATOM 1094 CD1 TYR A 71 25.945 16.080 -24.469 1.00 1.550 C ATOM 1095 CD2 TYR A 71 27.465 16.660 -22.716 1.00 1.550 C ATOM 1096 CE1 TYR A 71 25.171 17.174 -24.189 1.00 1.550 C ATOM 1097 CE2 TYR A 71 26.690 17.767 -22.424 1.00 1.550 C ATOM 1098 CZ TYR A 71 25.545 18.025 -23.162 1.00 1.550 C ATOM 1099 OH TYR A 71 24.772 19.128 -22.878 1.00 1.550 O ATOM 1100 H TYR A 71 28.044 15.076 -26.779 1.00 1.280 H ATOM 1101 HA TYR A 71 29.759 15.668 -24.398 1.00 1.340 H ATOM 1102 1HB TYR A 71 27.280 13.905 -24.606 1.00 1.860 H ATOM 1103 2HB TYR A 71 28.234 14.180 -23.151 1.00 1.860 H ATOM 1104 HD1 TYR A 71 25.664 15.426 -25.264 1.00 1.860 H ATOM 1105 HD2 TYR A 71 28.369 16.455 -22.141 1.00 1.860 H ATOM 1106 HE1 TYR A 71 24.275 17.372 -24.775 1.00 1.860 H ATOM 1107 HE2 TYR A 71 26.983 18.439 -21.618 1.00 1.860 H ATOM 1108 HH TYR A 71 25.166 19.618 -22.153 1.00 1.860 H ATOM 1109 N TRP A 72 29.715 13.099 -26.373 1.00 1.300 N ATOM 1110 CA TRP A 72 30.279 11.816 -26.797 1.00 1.390 C ATOM 1111 C TRP A 72 31.763 11.635 -26.450 1.00 1.360 C ATOM 1112 O TRP A 72 32.134 10.628 -25.839 1.00 1.380 O ATOM 1113 CB TRP A 72 30.161 11.761 -28.322 1.00 1.910 C ATOM 1114 CG TRP A 72 30.381 10.453 -29.009 1.00 1.910 C ATOM 1115 CD1 TRP A 72 29.378 9.632 -29.385 1.00 1.910 C ATOM 1116 CD2 TRP A 72 31.612 9.787 -29.420 1.00 1.910 C ATOM 1117 NE1 TRP A 72 29.871 8.547 -30.033 1.00 1.910 N ATOM 1118 CE2 TRP A 72 31.240 8.630 -30.072 1.00 1.910 C ATOM 1119 CE3 TRP A 72 32.965 10.089 -29.313 1.00 1.910 C ATOM 1120 CZ2 TRP A 72 32.173 7.783 -30.635 1.00 1.910 C ATOM 1121 CZ3 TRP A 72 33.889 9.238 -29.867 1.00 1.910 C ATOM 1122 CH2 TRP A 72 33.502 8.117 -30.517 1.00 1.910 C ATOM 1123 H TRP A 72 28.975 13.479 -26.963 1.00 1.560 H ATOM 1124 HA TRP A 72 29.703 11.016 -26.337 1.00 1.670 H ATOM 1125 1HB TRP A 72 29.163 12.096 -28.597 1.00 2.290 H ATOM 1126 2HB TRP A 72 30.853 12.478 -28.761 1.00 2.290 H ATOM 1127 HD1 TRP A 72 28.324 9.833 -29.219 1.00 2.290 H ATOM 1128 HE1 TRP A 72 29.295 7.803 -30.426 1.00 2.290 H ATOM 1129 HE3 TRP A 72 33.286 10.976 -28.831 1.00 2.290 H ATOM 1130 HZ2 TRP A 72 31.898 6.892 -31.163 1.00 2.290 H ATOM 1131 HZ3 TRP A 72 34.942 9.499 -29.783 1.00 2.290 H ATOM 1132 HH2 TRP A 72 34.257 7.467 -30.957 1.00 2.290 H ATOM 1133 N SER A 73 32.619 12.594 -26.844 1.00 1.450 N ATOM 1134 CA SER A 73 34.070 12.478 -26.653 1.00 1.610 C ATOM 1135 C SER A 73 34.516 12.658 -25.209 1.00 1.440 C ATOM 1136 O SER A 73 35.651 12.333 -24.853 1.00 1.620 O ATOM 1137 CB SER A 73 34.783 13.429 -27.601 1.00 2.190 C ATOM 1138 OG SER A 73 34.502 14.779 -27.332 1.00 2.190 O ATOM 1139 H SER A 73 32.266 13.423 -27.302 1.00 1.740 H ATOM 1140 HA SER A 73 34.360 11.469 -26.942 1.00 1.930 H ATOM 1141 1HB SER A 73 35.856 13.262 -27.539 1.00 2.630 H ATOM 1142 2HB SER A 73 34.491 13.202 -28.602 1.00 2.630 H ATOM 1143 HG SER A 73 34.854 15.275 -28.107 1.00 2.630 H ATOM 1144 N TRP A 74 33.623 13.173 -24.377 1.00 1.250 N ATOM 1145 CA TRP A 74 33.860 13.351 -22.960 1.00 1.250 C ATOM 1146 C TRP A 74 33.349 12.132 -22.202 1.00 1.130 C ATOM 1147 O TRP A 74 34.030 11.597 -21.321 1.00 1.230 O ATOM 1148 CB TRP A 74 33.251 14.662 -22.481 1.00 1.750 C ATOM 1149 CG TRP A 74 33.236 14.813 -21.026 1.00 1.750 C ATOM 1150 CD1 TRP A 74 34.274 15.134 -20.211 1.00 1.750 C ATOM 1151 CD2 TRP A 74 32.078 14.712 -20.185 1.00 1.750 C ATOM 1152 NE1 TRP A 74 33.846 15.208 -18.916 1.00 1.750 N ATOM 1153 CE2 TRP A 74 32.498 14.958 -18.884 1.00 1.750 C ATOM 1154 CE3 TRP A 74 30.732 14.447 -20.433 1.00 1.750 C ATOM 1155 CZ2 TRP A 74 31.623 14.935 -17.821 1.00 1.750 C ATOM 1156 CZ3 TRP A 74 29.858 14.435 -19.371 1.00 1.750 C ATOM 1157 CH2 TRP A 74 30.292 14.669 -18.099 1.00 1.750 C ATOM 1158 H TRP A 74 32.699 13.406 -24.736 1.00 1.500 H ATOM 1159 HA TRP A 74 34.935 13.419 -22.798 1.00 1.500 H ATOM 1160 1HB TRP A 74 33.816 15.492 -22.901 1.00 2.100 H ATOM 1161 2HB TRP A 74 32.234 14.748 -22.850 1.00 2.100 H ATOM 1162 HD1 TRP A 74 35.297 15.298 -20.543 1.00 2.100 H ATOM 1163 HE1 TRP A 74 34.425 15.424 -18.119 1.00 2.100 H ATOM 1164 HE3 TRP A 74 30.378 14.258 -21.445 1.00 2.100 H ATOM 1165 HZ2 TRP A 74 31.949 15.125 -16.800 1.00 2.100 H ATOM 1166 HZ3 TRP A 74 28.817 14.234 -19.575 1.00 2.100 H ATOM 1167 HH2 TRP A 74 29.575 14.650 -17.282 1.00 2.100 H ATOM 1168 N LEU A 75 32.157 11.669 -22.572 1.00 1.050 N ATOM 1169 CA LEU A 75 31.523 10.528 -21.920 1.00 1.110 C ATOM 1170 C LEU A 75 32.406 9.305 -22.131 1.00 1.210 C ATOM 1171 O LEU A 75 32.641 8.513 -21.225 1.00 1.340 O ATOM 1172 CB LEU A 75 30.139 10.296 -22.542 1.00 1.530 C ATOM 1173 CG LEU A 75 29.104 11.412 -22.315 1.00 1.530 C ATOM 1174 CD1 LEU A 75 27.869 11.119 -23.131 1.00 1.530 C ATOM 1175 CD2 LEU A 75 28.759 11.535 -20.888 1.00 1.530 C ATOM 1176 H LEU A 75 31.660 12.163 -23.312 1.00 1.260 H ATOM 1177 HA LEU A 75 31.454 10.710 -20.850 1.00 1.330 H ATOM 1178 1HB LEU A 75 30.272 10.185 -23.621 1.00 1.840 H ATOM 1179 2HB LEU A 75 29.739 9.372 -22.156 1.00 1.840 H ATOM 1180 HG LEU A 75 29.521 12.339 -22.642 1.00 1.840 H ATOM 1181 1HD1 LEU A 75 27.144 11.915 -22.988 1.00 1.840 H ATOM 1182 2HD1 LEU A 75 28.135 11.059 -24.187 1.00 1.840 H ATOM 1183 3HD1 LEU A 75 27.434 10.173 -22.811 1.00 1.840 H ATOM 1184 1HD2 LEU A 75 28.047 12.334 -20.773 1.00 1.840 H ATOM 1185 2HD2 LEU A 75 28.335 10.629 -20.553 1.00 1.840 H ATOM 1186 3HD2 LEU A 75 29.629 11.757 -20.309 1.00 1.840 H ATOM 1187 N ARG A 76 33.022 9.241 -23.308 1.00 1.280 N ATOM 1188 CA ARG A 76 33.940 8.187 -23.693 1.00 1.470 C ATOM 1189 C ARG A 76 35.141 8.077 -22.737 1.00 1.390 C ATOM 1190 O ARG A 76 35.801 7.036 -22.693 1.00 1.520 O ATOM 1191 CB ARG A 76 34.420 8.433 -25.114 1.00 1.980 C ATOM 1192 CG ARG A 76 35.284 7.356 -25.726 1.00 1.980 C ATOM 1193 CD ARG A 76 35.524 7.645 -27.153 1.00 1.980 C ATOM 1194 NE ARG A 76 36.377 6.651 -27.788 1.00 1.980 N ATOM 1195 CZ ARG A 76 35.955 5.495 -28.357 1.00 1.980 C ATOM 1196 NH1 ARG A 76 34.674 5.171 -28.384 1.00 1.980 N ATOM 1197 NH2 ARG A 76 36.846 4.676 -28.893 1.00 1.980 N ATOM 1198 H ARG A 76 32.784 9.932 -24.022 1.00 1.540 H ATOM 1199 HA ARG A 76 33.391 7.243 -23.674 1.00 1.760 H ATOM 1200 1HB ARG A 76 33.557 8.554 -25.764 1.00 2.380 H ATOM 1201 2HB ARG A 76 34.982 9.368 -25.145 1.00 2.380 H ATOM 1202 1HG ARG A 76 36.251 7.326 -25.222 1.00 2.380 H ATOM 1203 2HG ARG A 76 34.792 6.389 -25.630 1.00 2.380 H ATOM 1204 1HD ARG A 76 34.574 7.667 -27.665 1.00 2.380 H ATOM 1205 2HD ARG A 76 36.005 8.619 -27.244 1.00 2.380 H ATOM 1206 HE ARG A 76 37.371 6.840 -27.798 1.00 2.380 H ATOM 1207 1HH1 ARG A 76 33.981 5.782 -27.982 1.00 2.380 H ATOM 1208 2HH1 ARG A 76 34.387 4.298 -28.810 1.00 2.380 H ATOM 1209 1HH2 ARG A 76 37.828 4.916 -28.875 1.00 2.380 H ATOM 1210 2HH2 ARG A 76 36.549 3.810 -29.319 1.00 2.380 H ATOM 1211 N LYS A 77 35.495 9.174 -22.051 1.00 1.290 N ATOM 1212 CA LYS A 77 36.634 9.201 -21.151 1.00 1.340 C ATOM 1213 C LYS A 77 36.210 8.945 -19.696 1.00 1.260 C ATOM 1214 O LYS A 77 36.929 8.264 -18.960 1.00 1.500 O ATOM 1215 CB LYS A 77 37.348 10.545 -21.277 1.00 1.860 C ATOM 1216 CG LYS A 77 38.011 10.753 -22.637 1.00 1.860 C ATOM 1217 CD LYS A 77 38.692 12.111 -22.733 1.00 1.860 C ATOM 1218 CE LYS A 77 39.320 12.316 -24.106 1.00 1.860 C ATOM 1219 NZ LYS A 77 39.956 13.658 -24.235 1.00 1.860 N ATOM 1220 H LYS A 77 34.908 10.003 -22.093 1.00 1.550 H ATOM 1221 HA LYS A 77 37.323 8.409 -21.440 1.00 1.610 H ATOM 1222 1HB LYS A 77 36.628 11.352 -21.124 1.00 2.230 H ATOM 1223 2HB LYS A 77 38.110 10.628 -20.505 1.00 2.230 H ATOM 1224 1HG LYS A 77 38.742 9.964 -22.807 1.00 2.230 H ATOM 1225 2HG LYS A 77 37.246 10.688 -23.414 1.00 2.230 H ATOM 1226 1HD LYS A 77 37.947 12.894 -22.571 1.00 2.230 H ATOM 1227 2HD LYS A 77 39.462 12.195 -21.968 1.00 2.230 H ATOM 1228 1HE LYS A 77 40.074 11.549 -24.273 1.00 2.230 H ATOM 1229 2HE LYS A 77 38.542 12.219 -24.867 1.00 2.230 H ATOM 1230 1HZ LYS A 77 40.351 13.752 -25.159 1.00 2.230 H ATOM 1231 2HZ LYS A 77 39.258 14.375 -24.095 1.00 2.230 H ATOM 1232 3HZ LYS A 77 40.685 13.759 -23.544 1.00 2.230 H ATOM 1233 N THR A 78 35.037 9.464 -19.290 1.00 1.040 N ATOM 1234 CA THR A 78 34.543 9.284 -17.908 1.00 1.040 C ATOM 1235 C THR A 78 33.254 8.443 -17.899 1.00 0.970 C ATOM 1236 O THR A 78 32.184 8.846 -18.381 1.00 1.120 O ATOM 1237 CB THR A 78 34.357 10.630 -17.180 1.00 1.460 C ATOM 1238 OG1 THR A 78 33.824 10.374 -15.869 1.00 1.460 O ATOM 1239 CG2 THR A 78 33.433 11.592 -17.965 1.00 1.460 C ATOM 1240 H THR A 78 34.515 10.046 -19.948 1.00 1.250 H ATOM 1241 HA THR A 78 35.290 8.726 -17.341 1.00 1.250 H ATOM 1242 HB THR A 78 35.331 11.103 -17.066 1.00 1.750 H ATOM 1243 HG1 THR A 78 34.527 9.942 -15.298 1.00 1.750 H ATOM 1244 1HG2 THR A 78 33.351 12.518 -17.412 1.00 1.750 H ATOM 1245 2HG2 THR A 78 33.863 11.797 -18.929 1.00 1.750 H ATOM 1246 3HG2 THR A 78 32.454 11.181 -18.103 1.00 1.750 H ATOM 1247 N LYS A 79 33.392 7.243 -17.351 1.00 1.010 N ATOM 1248 CA LYS A 79 32.354 6.230 -17.441 1.00 0.940 C ATOM 1249 C LYS A 79 31.076 6.496 -16.659 1.00 0.880 C ATOM 1250 O LYS A 79 29.995 6.139 -17.123 1.00 0.860 O ATOM 1251 CB LYS A 79 32.938 4.884 -17.022 1.00 1.340 C ATOM 1252 CG LYS A 79 34.072 4.315 -17.923 1.00 1.340 C ATOM 1253 CD LYS A 79 33.647 3.985 -19.377 1.00 1.340 C ATOM 1254 CE LYS A 79 32.767 2.739 -19.473 1.00 1.340 C ATOM 1255 NZ LYS A 79 32.449 2.396 -20.900 1.00 1.340 N ATOM 1256 H LYS A 79 34.287 7.042 -16.880 1.00 1.210 H ATOM 1257 HA LYS A 79 32.057 6.169 -18.484 1.00 1.130 H ATOM 1258 1HB LYS A 79 33.362 4.996 -16.028 1.00 1.610 H ATOM 1259 2HB LYS A 79 32.153 4.153 -16.972 1.00 1.610 H ATOM 1260 1HG LYS A 79 34.880 5.050 -17.965 1.00 1.610 H ATOM 1261 2HG LYS A 79 34.462 3.409 -17.459 1.00 1.610 H ATOM 1262 1HD LYS A 79 33.125 4.821 -19.841 1.00 1.610 H ATOM 1263 2HD LYS A 79 34.547 3.801 -19.961 1.00 1.610 H ATOM 1264 1HE LYS A 79 33.284 1.899 -19.012 1.00 1.610 H ATOM 1265 2HE LYS A 79 31.832 2.911 -18.949 1.00 1.610 H ATOM 1266 1HZ LYS A 79 31.866 1.576 -20.930 1.00 1.610 H ATOM 1267 2HZ LYS A 79 31.936 3.188 -21.332 1.00 1.610 H ATOM 1268 3HZ LYS A 79 33.295 2.226 -21.415 1.00 1.610 H ATOM 1269 N LEU A 80 31.145 7.084 -15.477 1.00 0.910 N ATOM 1270 CA LEU A 80 29.889 7.249 -14.766 1.00 0.900 C ATOM 1271 C LEU A 80 28.912 8.150 -15.541 1.00 0.850 C ATOM 1272 O LEU A 80 27.728 7.797 -15.612 1.00 0.810 O ATOM 1273 CB LEU A 80 30.103 7.628 -13.292 1.00 1.260 C ATOM 1274 CG LEU A 80 28.830 7.731 -12.417 1.00 1.260 C ATOM 1275 CD1 LEU A 80 29.205 7.315 -11.051 1.00 1.260 C ATOM 1276 CD2 LEU A 80 28.300 9.196 -12.373 1.00 1.260 C ATOM 1277 H LEU A 80 32.032 7.385 -15.097 1.00 1.090 H ATOM 1278 HA LEU A 80 29.420 6.268 -14.723 1.00 1.080 H ATOM 1279 1HB LEU A 80 30.718 6.861 -12.844 1.00 1.520 H ATOM 1280 2HB LEU A 80 30.657 8.521 -13.182 1.00 1.520 H ATOM 1281 HG LEU A 80 28.049 7.070 -12.797 1.00 1.520 H ATOM 1282 1HD1 LEU A 80 28.350 7.390 -10.391 1.00 1.520 H ATOM 1283 2HD1 LEU A 80 29.575 6.301 -11.051 1.00 1.520 H ATOM 1284 3HD1 LEU A 80 29.983 7.969 -10.719 1.00 1.520 H ATOM 1285 1HD2 LEU A 80 27.430 9.245 -11.726 1.00 1.520 H ATOM 1286 2HD2 LEU A 80 29.078 9.849 -11.976 1.00 1.520 H ATOM 1287 3HD2 LEU A 80 28.016 9.540 -13.360 1.00 1.520 H ATOM 1288 N PRO A 81 29.286 9.372 -16.004 1.00 0.880 N ATOM 1289 CA PRO A 81 28.468 10.186 -16.881 1.00 0.860 C ATOM 1290 C PRO A 81 28.000 9.418 -18.116 1.00 0.830 C ATOM 1291 O PRO A 81 26.847 9.580 -18.530 1.00 0.880 O ATOM 1292 CB PRO A 81 29.408 11.335 -17.229 1.00 1.290 C ATOM 1293 CG PRO A 81 30.279 11.467 -16.024 1.00 1.290 C ATOM 1294 CD PRO A 81 30.533 10.048 -15.584 1.00 1.290 C ATOM 1295 HA PRO A 81 27.608 10.559 -16.309 1.00 1.030 H ATOM 1296 1HB PRO A 81 29.994 11.075 -18.123 1.00 1.550 H ATOM 1297 2HB PRO A 81 28.837 12.231 -17.464 1.00 1.550 H ATOM 1298 1HG PRO A 81 31.195 12.013 -16.260 1.00 1.550 H ATOM 1299 2HG PRO A 81 29.759 12.049 -15.254 1.00 1.550 H ATOM 1300 1HD PRO A 81 31.403 9.653 -16.097 1.00 1.550 H ATOM 1301 2HD PRO A 81 30.658 10.083 -14.528 1.00 1.550 H ATOM 1302 N GLU A 82 28.850 8.530 -18.669 1.00 0.840 N ATOM 1303 CA GLU A 82 28.436 7.756 -19.835 1.00 0.880 C ATOM 1304 C GLU A 82 27.268 6.862 -19.477 1.00 0.870 C ATOM 1305 O GLU A 82 26.287 6.823 -20.223 1.00 0.950 O ATOM 1306 CB GLU A 82 29.566 6.924 -20.426 1.00 1.220 C ATOM 1307 CG GLU A 82 29.192 6.244 -21.755 1.00 1.220 C ATOM 1308 CD GLU A 82 30.331 5.493 -22.398 1.00 1.220 C ATOM 1309 OE1 GLU A 82 30.793 4.533 -21.816 1.00 1.220 O ATOM 1310 OE2 GLU A 82 30.740 5.876 -23.469 1.00 1.220 O ATOM 1311 H GLU A 82 29.829 8.456 -18.351 1.00 1.010 H ATOM 1312 HA GLU A 82 28.095 8.436 -20.608 1.00 1.060 H ATOM 1313 1HB GLU A 82 30.437 7.547 -20.574 1.00 1.460 H ATOM 1314 2HB GLU A 82 29.844 6.139 -19.725 1.00 1.460 H ATOM 1315 1HG GLU A 82 28.376 5.542 -21.572 1.00 1.460 H ATOM 1316 2HG GLU A 82 28.829 7.004 -22.444 1.00 1.460 H ATOM 1317 N TYR A 83 27.371 6.147 -18.348 1.00 0.800 N ATOM 1318 CA TYR A 83 26.307 5.257 -17.891 1.00 0.850 C ATOM 1319 C TYR A 83 25.060 6.038 -17.513 1.00 0.870 C ATOM 1320 O TYR A 83 23.937 5.583 -17.737 1.00 1.000 O ATOM 1321 CB TYR A 83 26.738 4.407 -16.698 1.00 1.170 C ATOM 1322 CG TYR A 83 27.678 3.313 -17.055 1.00 1.170 C ATOM 1323 CD1 TYR A 83 28.923 3.280 -16.500 1.00 1.170 C ATOM 1324 CD2 TYR A 83 27.296 2.344 -17.960 1.00 1.170 C ATOM 1325 CE1 TYR A 83 29.788 2.281 -16.834 1.00 1.170 C ATOM 1326 CE2 TYR A 83 28.167 1.343 -18.294 1.00 1.170 C ATOM 1327 CZ TYR A 83 29.408 1.305 -17.733 1.00 1.170 C ATOM 1328 OH TYR A 83 30.275 0.290 -18.064 1.00 1.170 O ATOM 1329 H TYR A 83 28.247 6.216 -17.818 1.00 0.960 H ATOM 1330 HA TYR A 83 26.054 4.597 -18.713 1.00 1.020 H ATOM 1331 1HB TYR A 83 27.226 5.052 -15.961 1.00 1.400 H ATOM 1332 2HB TYR A 83 25.862 3.967 -16.225 1.00 1.400 H ATOM 1333 HD1 TYR A 83 29.218 4.048 -15.798 1.00 1.400 H ATOM 1334 HD2 TYR A 83 26.304 2.363 -18.411 1.00 1.400 H ATOM 1335 HE1 TYR A 83 30.768 2.258 -16.398 1.00 1.400 H ATOM 1336 HE2 TYR A 83 27.861 0.576 -19.009 1.00 1.400 H ATOM 1337 HH TYR A 83 31.087 0.382 -17.550 1.00 1.400 H ATOM 1338 N THR A 84 25.250 7.235 -16.963 1.00 0.820 N ATOM 1339 CA THR A 84 24.125 8.081 -16.602 1.00 0.860 C ATOM 1340 C THR A 84 23.308 8.326 -17.878 1.00 0.970 C ATOM 1341 O THR A 84 22.079 8.273 -17.861 1.00 1.110 O ATOM 1342 CB THR A 84 24.608 9.412 -15.987 1.00 1.190 C ATOM 1343 OG1 THR A 84 25.385 9.136 -14.795 1.00 1.190 O ATOM 1344 CG2 THR A 84 23.404 10.285 -15.612 1.00 1.190 C ATOM 1345 H THR A 84 26.201 7.536 -16.746 1.00 0.980 H ATOM 1346 HA THR A 84 23.500 7.559 -15.877 1.00 1.030 H ATOM 1347 HB THR A 84 25.219 9.944 -16.698 1.00 1.430 H ATOM 1348 HG1 THR A 84 26.202 8.636 -15.041 1.00 1.430 H ATOM 1349 1HG2 THR A 84 23.750 11.217 -15.170 1.00 1.430 H ATOM 1350 2HG2 THR A 84 22.809 10.506 -16.498 1.00 1.430 H ATOM 1351 3HG2 THR A 84 22.793 9.748 -14.892 1.00 1.430 H ATOM 1352 N ARG A 85 24.005 8.630 -18.987 1.00 0.950 N ATOM 1353 CA ARG A 85 23.338 8.815 -20.271 1.00 1.100 C ATOM 1354 C ARG A 85 22.814 7.479 -20.846 1.00 1.220 C ATOM 1355 O ARG A 85 21.690 7.430 -21.336 1.00 1.370 O ATOM 1356 CB ARG A 85 24.273 9.453 -21.297 1.00 1.480 C ATOM 1357 CG ARG A 85 24.335 10.989 -21.326 1.00 1.480 C ATOM 1358 CD ARG A 85 25.094 11.565 -20.212 1.00 1.480 C ATOM 1359 NE ARG A 85 25.235 13.014 -20.353 1.00 1.480 N ATOM 1360 CZ ARG A 85 25.822 13.834 -19.456 1.00 1.480 C ATOM 1361 NH1 ARG A 85 26.323 13.353 -18.343 1.00 1.480 N ATOM 1362 NH2 ARG A 85 25.886 15.130 -19.696 1.00 1.480 N ATOM 1363 H ARG A 85 25.019 8.756 -18.903 1.00 1.140 H ATOM 1364 HA ARG A 85 22.489 9.481 -20.123 1.00 1.320 H ATOM 1365 1HB ARG A 85 25.289 9.095 -21.116 1.00 1.780 H ATOM 1366 2HB ARG A 85 23.987 9.121 -22.294 1.00 1.780 H ATOM 1367 1HG ARG A 85 24.837 11.304 -22.222 1.00 1.780 H ATOM 1368 2HG ARG A 85 23.331 11.399 -21.310 1.00 1.780 H ATOM 1369 1HD ARG A 85 24.611 11.351 -19.266 1.00 1.780 H ATOM 1370 2HD ARG A 85 26.065 11.131 -20.221 1.00 1.780 H ATOM 1371 HE ARG A 85 24.861 13.433 -21.194 1.00 1.780 H ATOM 1372 1HH1 ARG A 85 26.269 12.358 -18.155 1.00 1.780 H ATOM 1373 2HH1 ARG A 85 26.740 13.975 -17.665 1.00 1.780 H ATOM 1374 1HH2 ARG A 85 25.500 15.506 -20.554 1.00 1.780 H ATOM 1375 2HH2 ARG A 85 26.320 15.752 -19.028 1.00 1.780 H ATOM 1376 N GLU A 86 23.582 6.374 -20.744 1.00 1.240 N ATOM 1377 CA GLU A 86 23.137 5.066 -21.266 1.00 1.450 C ATOM 1378 C GLU A 86 21.778 4.689 -20.721 1.00 1.440 C ATOM 1379 O GLU A 86 20.862 4.323 -21.455 1.00 1.480 O ATOM 1380 CB GLU A 86 24.086 3.926 -20.843 1.00 1.950 C ATOM 1381 CG GLU A 86 23.639 2.498 -21.300 1.00 1.950 C ATOM 1382 CD GLU A 86 24.541 1.362 -20.815 1.00 1.950 C ATOM 1383 OE1 GLU A 86 25.733 1.504 -20.840 1.00 1.950 O ATOM 1384 OE2 GLU A 86 24.001 0.347 -20.402 1.00 1.950 O ATOM 1385 H GLU A 86 24.521 6.458 -20.357 1.00 1.490 H ATOM 1386 HA GLU A 86 23.091 5.117 -22.354 1.00 1.740 H ATOM 1387 1HB GLU A 86 25.086 4.120 -21.234 1.00 2.340 H ATOM 1388 2HB GLU A 86 24.151 3.901 -19.764 1.00 2.340 H ATOM 1389 1HG GLU A 86 22.632 2.299 -20.940 1.00 2.340 H ATOM 1390 2HG GLU A 86 23.611 2.484 -22.385 1.00 2.340 H ATOM 1391 N ALA A 87 21.632 4.860 -19.416 1.00 1.440 N ATOM 1392 CA ALA A 87 20.451 4.530 -18.640 1.00 1.470 C ATOM 1393 C ALA A 87 19.213 5.304 -19.074 1.00 1.310 C ATOM 1394 O ALA A 87 18.097 4.983 -18.675 1.00 1.850 O ATOM 1395 CB ALA A 87 20.742 4.802 -17.187 1.00 2.050 C ATOM 1396 H ALA A 87 22.450 5.192 -18.896 1.00 1.730 H ATOM 1397 HA ALA A 87 20.252 3.470 -18.772 1.00 1.760 H ATOM 1398 1HB ALA A 87 19.909 4.517 -16.586 1.00 2.460 H ATOM 1399 2HB ALA A 87 21.615 4.227 -16.890 1.00 2.460 H ATOM 1400 3HB ALA A 87 20.949 5.869 -17.057 1.00 2.460 H ATOM 1401 N LEU A 88 19.417 6.384 -19.794 1.00 1.240 N ATOM 1402 CA LEU A 88 18.371 7.237 -20.271 1.00 1.380 C ATOM 1403 C LEU A 88 18.231 7.293 -21.782 1.00 1.340 C ATOM 1404 O LEU A 88 17.342 7.998 -22.266 1.00 1.620 O ATOM 1405 CB LEU A 88 18.674 8.646 -19.796 1.00 1.880 C ATOM 1406 CG LEU A 88 18.683 8.902 -18.305 1.00 1.880 C ATOM 1407 CD1 LEU A 88 19.247 10.277 -18.126 1.00 1.880 C ATOM 1408 CD2 LEU A 88 17.230 8.795 -17.745 1.00 1.880 C ATOM 1409 H LEU A 88 20.363 6.616 -20.102 1.00 1.490 H ATOM 1410 HA LEU A 88 17.429 6.883 -19.865 1.00 1.660 H ATOM 1411 1HB LEU A 88 19.670 8.899 -20.165 1.00 2.250 H ATOM 1412 2HB LEU A 88 17.962 9.332 -20.252 1.00 2.250 H ATOM 1413 HG LEU A 88 19.329 8.191 -17.783 1.00 2.250 H ATOM 1414 1HD1 LEU A 88 19.284 10.564 -17.091 1.00 2.250 H ATOM 1415 2HD1 LEU A 88 20.252 10.274 -18.529 1.00 2.250 H ATOM 1416 3HD1 LEU A 88 18.655 10.973 -18.666 1.00 2.250 H ATOM 1417 1HD2 LEU A 88 17.229 9.012 -16.683 1.00 2.250 H ATOM 1418 2HD2 LEU A 88 16.585 9.504 -18.256 1.00 2.250 H ATOM 1419 3HD2 LEU A 88 16.846 7.790 -17.897 1.00 2.250 H ATOM 1420 N CYS A 89 19.114 6.649 -22.566 1.00 1.480 N ATOM 1421 CA CYS A 89 18.966 6.954 -23.984 1.00 1.890 C ATOM 1422 C CYS A 89 17.986 6.062 -24.749 1.00 2.110 C ATOM 1423 O CYS A 89 17.311 6.575 -25.643 1.00 2.270 O ATOM 1424 CB CYS A 89 20.338 7.004 -24.681 1.00 2.480 C ATOM 1425 SG CYS A 89 21.295 5.478 -24.736 1.00 2.480 S ATOM 1426 H CYS A 89 19.817 5.992 -22.235 1.00 1.780 H ATOM 1427 HA CYS A 89 18.581 7.965 -24.050 1.00 2.270 H ATOM 1428 1HB CYS A 89 20.203 7.345 -25.700 1.00 2.980 H ATOM 1429 2HB CYS A 89 20.958 7.746 -24.184 1.00 2.980 H ATOM 1430 N PRO A 90 17.723 4.773 -24.431 1.00 2.800 N ATOM 1431 CA PRO A 90 16.765 3.992 -25.200 1.00 3.480 C ATOM 1432 C PRO A 90 15.344 4.612 -25.336 1.00 3.600 C ATOM 1433 O PRO A 90 14.725 4.425 -26.375 1.00 3.500 O ATOM 1434 CB PRO A 90 16.747 2.660 -24.443 1.00 5.220 C ATOM 1435 CG PRO A 90 18.114 2.583 -23.810 1.00 5.220 C ATOM 1436 CD PRO A 90 18.416 4.000 -23.375 1.00 5.220 C ATOM 1437 HA PRO A 90 17.186 3.827 -26.205 1.00 4.180 H ATOM 1438 1HB PRO A 90 15.912 2.591 -23.753 1.00 6.260 H ATOM 1439 2HB PRO A 90 16.609 1.846 -25.173 1.00 6.260 H ATOM 1440 1HG PRO A 90 18.142 1.855 -23.004 1.00 6.260 H ATOM 1441 2HG PRO A 90 18.837 2.226 -24.558 1.00 6.260 H ATOM 1442 1HD PRO A 90 18.012 4.202 -22.385 1.00 6.260 H ATOM 1443 2HD PRO A 90 19.463 4.103 -23.395 1.00 6.260 H ATOM 1444 N PRO A 91 14.773 5.335 -24.323 1.00 4.240 N ATOM 1445 CA PRO A 91 13.480 5.982 -24.409 1.00 4.870 C ATOM 1446 C PRO A 91 13.560 7.398 -24.946 1.00 5.170 C ATOM 1447 O PRO A 91 12.535 8.059 -25.097 1.00 5.730 O ATOM 1448 CB PRO A 91 13.021 5.968 -22.962 1.00 7.300 C ATOM 1449 CG PRO A 91 14.267 6.104 -22.167 1.00 7.300 C ATOM 1450 CD PRO A 91 15.302 5.345 -22.935 1.00 7.300 C ATOM 1451 HA PRO A 91 12.810 5.369 -25.034 1.00 5.840 H ATOM 1452 1HB PRO A 91 12.349 6.795 -22.803 1.00 8.770 H ATOM 1453 2HB PRO A 91 12.479 5.044 -22.754 1.00 8.770 H ATOM 1454 1HG PRO A 91 14.535 7.175 -22.044 1.00 8.770 H ATOM 1455 2HG PRO A 91 14.125 5.704 -21.152 1.00 8.770 H ATOM 1456 1HD PRO A 91 16.171 5.911 -22.825 1.00 8.770 H ATOM 1457 2HD PRO A 91 15.386 4.353 -22.537 1.00 8.770 H ATOM 1458 N ALA A 92 14.781 7.936 -25.040 1.00 5.070 N ATOM 1459 CA ALA A 92 15.017 9.287 -25.527 1.00 5.510 C ATOM 1460 C ALA A 92 15.001 9.235 -27.048 1.00 5.260 C ATOM 1461 O ALA A 92 14.490 10.110 -27.748 1.00 5.620 O ATOM 1462 CB ALA A 92 16.331 9.836 -24.995 1.00 7.540 C ATOM 1463 H ALA A 92 15.606 7.362 -24.899 1.00 6.080 H ATOM 1464 HA ALA A 92 14.199 9.923 -25.189 1.00 6.610 H ATOM 1465 1HB ALA A 92 16.475 10.843 -25.353 1.00 9.050 H ATOM 1466 2HB ALA A 92 16.304 9.841 -23.903 1.00 9.050 H ATOM 1467 3HB ALA A 92 17.144 9.210 -25.335 1.00 9.050 H ATOM 1468 N CYS A 93 15.673 8.188 -27.514 1.00 4.820 N ATOM 1469 CA CYS A 93 15.972 7.845 -28.888 1.00 4.780 C ATOM 1470 C CYS A 93 14.827 7.130 -29.584 1.00 5.460 C ATOM 1471 O CYS A 93 13.808 6.804 -28.982 1.00 5.790 O ATOM 1472 CB CYS A 93 17.192 6.939 -28.904 1.00 6.710 C ATOM 1473 SG CYS A 93 18.617 7.718 -28.200 1.00 6.710 S ATOM 1474 H CYS A 93 16.046 7.550 -26.814 1.00 5.780 H ATOM 1475 HA CYS A 93 16.197 8.763 -29.428 1.00 5.740 H ATOM 1476 1HB CYS A 93 16.986 6.024 -28.331 1.00 8.050 H ATOM 1477 2HB CYS A 93 17.430 6.648 -29.918 1.00 8.050 H ATOM 1478 HG CYS A 93 18.233 7.440 -26.927 1.00 8.050 H ATOM 1479 N ARG A 94 15.003 6.863 -30.881 1.00 5.920 N ATOM 1480 CA ARG A 94 13.983 6.158 -31.653 1.00 6.650 C ATOM 1481 C ARG A 94 13.649 4.772 -31.080 1.00 6.570 C ATOM 1482 O ARG A 94 12.507 4.321 -31.177 1.00 7.130 O ATOM 1483 CB ARG A 94 14.475 5.957 -33.088 1.00 9.020 C ATOM 1484 CG ARG A 94 15.688 4.973 -33.231 1.00 9.020 C ATOM 1485 CD ARG A 94 16.233 4.908 -34.599 1.00 9.020 C ATOM 1486 NE ARG A 94 17.333 3.924 -34.696 1.00 9.020 N ATOM 1487 CZ ARG A 94 18.005 3.619 -35.836 1.00 9.020 C ATOM 1488 NH1 ARG A 94 17.709 4.223 -36.974 1.00 9.020 N ATOM 1489 NH2 ARG A 94 18.964 2.704 -35.809 1.00 9.020 N ATOM 1490 H ARG A 94 15.848 7.171 -31.337 1.00 7.100 H ATOM 1491 HA ARG A 94 13.076 6.763 -31.659 1.00 7.980 H ATOM 1492 1HB ARG A 94 13.660 5.565 -33.697 1.00 10.820 H ATOM 1493 2HB ARG A 94 14.770 6.915 -33.513 1.00 10.820 H ATOM 1494 1HG ARG A 94 16.498 5.260 -32.559 1.00 10.820 H ATOM 1495 2HG ARG A 94 15.371 3.955 -33.002 1.00 10.820 H ATOM 1496 1HD ARG A 94 15.440 4.609 -35.285 1.00 10.820 H ATOM 1497 2HD ARG A 94 16.619 5.885 -34.881 1.00 10.820 H ATOM 1498 HE ARG A 94 17.614 3.422 -33.829 1.00 10.820 H ATOM 1499 1HH1 ARG A 94 16.981 4.920 -37.006 1.00 10.820 H ATOM 1500 2HH1 ARG A 94 18.215 3.989 -37.817 1.00 10.820 H ATOM 1501 1HH2 ARG A 94 19.182 2.229 -34.937 1.00 10.820 H ATOM 1502 2HH2 ARG A 94 19.467 2.468 -36.651 1.00 10.820 H ATOM 1503 N GLY A 95 14.619 4.112 -30.452 1.00 6.170 N ATOM 1504 CA GLY A 95 14.364 2.790 -29.933 1.00 6.330 C ATOM 1505 C GLY A 95 15.560 2.204 -29.203 1.00 6.300 C ATOM 1506 O GLY A 95 16.482 2.913 -28.801 1.00 6.830 O ATOM 1507 H GLY A 95 15.548 4.498 -30.372 1.00 7.400 H ATOM 1508 1HA GLY A 95 13.519 2.842 -29.252 1.00 7.600 H ATOM 1509 2HA GLY A 95 14.082 2.137 -30.759 1.00 7.600 H ATOM 1510 N SER A 96 15.543 0.877 -29.057 1.00 6.000 N ATOM 1511 CA SER A 96 16.530 0.084 -28.326 1.00 6.180 C ATOM 1512 C SER A 96 17.935 0.183 -28.929 1.00 5.880 C ATOM 1513 O SER A 96 18.926 -0.197 -28.298 1.00 5.570 O ATOM 1514 CB SER A 96 16.072 -1.356 -28.333 1.00 8.580 C ATOM 1515 OG SER A 96 16.197 -1.922 -29.614 1.00 8.580 O ATOM 1516 H SER A 96 14.763 0.369 -29.443 1.00 7.200 H ATOM 1517 HA SER A 96 16.572 0.444 -27.297 1.00 7.420 H ATOM 1518 1HB SER A 96 16.625 -1.922 -27.623 1.00 10.300 H ATOM 1519 2HB SER A 96 15.034 -1.389 -28.024 1.00 10.300 H ATOM 1520 HG SER A 96 15.752 -2.777 -29.573 1.00 10.300 H ATOM 1521 N THR A 97 18.018 0.605 -30.191 1.00 6.310 N ATOM 1522 CA THR A 97 19.298 0.788 -30.860 1.00 6.480 C ATOM 1523 C THR A 97 19.284 2.120 -31.612 1.00 6.780 C ATOM 1524 O THR A 97 18.316 2.452 -32.310 1.00 7.300 O ATOM 1525 CB THR A 97 19.636 -0.383 -31.812 1.00 9.000 C ATOM 1526 OG1 THR A 97 19.628 -1.610 -31.069 1.00 9.000 O ATOM 1527 CG2 THR A 97 21.046 -0.199 -32.400 1.00 9.000 C ATOM 1528 H THR A 97 17.162 0.858 -30.663 1.00 7.570 H ATOM 1529 HA THR A 97 20.082 0.842 -30.105 1.00 7.780 H ATOM 1530 HB THR A 97 18.901 -0.436 -32.613 1.00 10.800 H ATOM 1531 HG1 THR A 97 18.711 -1.757 -30.788 1.00 10.800 H ATOM 1532 1HG2 THR A 97 21.274 -1.041 -33.050 1.00 10.800 H ATOM 1533 2HG2 THR A 97 21.102 0.721 -32.981 1.00 10.800 H ATOM 1534 3HG2 THR A 97 21.777 -0.158 -31.590 1.00 10.800 H ATOM 1535 N THR A 98 20.373 2.856 -31.457 1.00 6.790 N ATOM 1536 CA THR A 98 20.639 4.140 -32.096 1.00 7.380 C ATOM 1537 C THR A 98 22.104 4.225 -32.473 1.00 7.730 C ATOM 1538 O THR A 98 22.807 3.215 -32.453 1.00 7.790 O ATOM 1539 CB THR A 98 20.246 5.304 -31.180 1.00 10.100 C ATOM 1540 OG1 THR A 98 20.325 6.539 -31.909 1.00 10.100 O ATOM 1541 CG2 THR A 98 21.137 5.354 -29.984 1.00 10.100 C ATOM 1542 H THR A 98 21.087 2.482 -30.850 1.00 8.150 H ATOM 1543 HA THR A 98 20.052 4.210 -33.011 1.00 8.860 H ATOM 1544 HB THR A 98 19.219 5.157 -30.847 1.00 12.120 H ATOM 1545 HG1 THR A 98 19.973 7.248 -31.350 1.00 12.120 H ATOM 1546 1HG2 THR A 98 20.823 6.161 -29.350 1.00 12.120 H ATOM 1547 2HG2 THR A 98 21.050 4.416 -29.448 1.00 12.120 H ATOM 1548 3HG2 THR A 98 22.160 5.510 -30.264 1.00 12.120 H ATOM 1549 N LEU A 99 22.552 5.409 -32.864 1.00 8.250 N ATOM 1550 CA LEU A 99 23.954 5.592 -33.240 1.00 8.940 C ATOM 1551 C LEU A 99 24.328 7.071 -33.183 1.00 9.300 C ATOM 1552 O LEU A 99 23.621 7.913 -33.741 1.00 9.570 O ATOM 1553 CB LEU A 99 24.215 5.025 -34.648 1.00 12.240 C ATOM 1554 CG LEU A 99 25.686 5.058 -35.153 1.00 12.240 C ATOM 1555 CD1 LEU A 99 26.542 4.082 -34.287 1.00 12.240 C ATOM 1556 CD2 LEU A 99 25.729 4.656 -36.619 1.00 12.240 C ATOM 1557 H LEU A 99 21.894 6.187 -32.839 1.00 9.900 H ATOM 1558 HA LEU A 99 24.563 5.063 -32.514 1.00 10.730 H ATOM 1559 1HB LEU A 99 23.888 3.987 -34.668 1.00 14.690 H ATOM 1560 2HB LEU A 99 23.609 5.586 -35.358 1.00 14.690 H ATOM 1561 HG LEU A 99 26.090 6.063 -35.050 1.00 14.690 H ATOM 1562 1HD1 LEU A 99 27.570 4.076 -34.623 1.00 14.690 H ATOM 1563 2HD1 LEU A 99 26.518 4.378 -33.257 1.00 14.690 H ATOM 1564 3HD1 LEU A 99 26.137 3.074 -34.377 1.00 14.690 H ATOM 1565 1HD2 LEU A 99 26.763 4.679 -36.975 1.00 14.690 H ATOM 1566 2HD2 LEU A 99 25.329 3.649 -36.733 1.00 14.690 H ATOM 1567 3HD2 LEU A 99 25.130 5.355 -37.202 1.00 14.690 H ATOM 1568 N TYR A 100 25.447 7.406 -32.536 1.00 9.600 N ATOM 1569 CA TYR A 100 25.811 8.809 -32.432 1.00 10.250 C ATOM 1570 C TYR A 100 27.120 9.143 -33.144 1.00 10.890 C ATOM 1571 O TYR A 100 28.127 8.440 -32.994 1.00 10.860 O ATOM 1572 CB TYR A 100 26.003 9.142 -30.960 1.00 14.090 C ATOM 1573 CG TYR A 100 24.820 8.837 -30.099 1.00 14.090 C ATOM 1574 CD1 TYR A 100 24.737 7.595 -29.513 1.00 14.090 C ATOM 1575 CD2 TYR A 100 23.845 9.747 -29.879 1.00 14.090 C ATOM 1576 CE1 TYR A 100 23.681 7.283 -28.704 1.00 14.090 C ATOM 1577 CE2 TYR A 100 22.781 9.418 -29.061 1.00 14.090 C ATOM 1578 CZ TYR A 100 22.715 8.211 -28.483 1.00 14.090 C ATOM 1579 OH TYR A 100 21.678 7.932 -27.673 1.00 14.090 O ATOM 1580 H TYR A 100 26.034 6.709 -32.071 1.00 11.520 H ATOM 1581 HA TYR A 100 25.019 9.421 -32.864 1.00 12.300 H ATOM 1582 1HB TYR A 100 26.845 8.566 -30.582 1.00 16.910 H ATOM 1583 2HB TYR A 100 26.248 10.201 -30.852 1.00 16.910 H ATOM 1584 HD1 TYR A 100 25.521 6.875 -29.694 1.00 16.910 H ATOM 1585 HD2 TYR A 100 23.909 10.731 -30.341 1.00 16.910 H ATOM 1586 HE1 TYR A 100 23.609 6.307 -28.231 1.00 16.910 H ATOM 1587 HE2 TYR A 100 21.992 10.126 -28.856 1.00 16.910 H ATOM 1588 HH TYR A 100 21.763 7.027 -27.341 1.00 16.910 H ATOM 1589 N ASN A 101 27.107 10.236 -33.915 1.00 11.680 N ATOM 1590 CA ASN A 101 28.305 10.715 -34.620 1.00 12.510 C ATOM 1591 C ASN A 101 28.944 11.862 -33.843 1.00 12.930 C ATOM 1592 O ASN A 101 28.316 12.892 -33.628 1.00 13.340 O ATOM 1593 CB ASN A 101 28.041 11.089 -36.077 1.00 17.180 C ATOM 1594 CG ASN A 101 29.369 11.381 -36.798 1.00 17.180 C ATOM 1595 OD1 ASN A 101 30.171 12.161 -36.289 1.00 17.180 O ATOM 1596 ND2 ASN A 101 29.625 10.748 -37.926 1.00 17.180 N ATOM 1597 H ASN A 101 26.237 10.745 -34.008 1.00 14.020 H ATOM 1598 HA ASN A 101 29.050 9.922 -34.622 1.00 15.010 H ATOM 1599 1HB ASN A 101 27.519 10.281 -36.587 1.00 20.620 H ATOM 1600 2HB ASN A 101 27.411 11.974 -36.122 1.00 20.620 H ATOM 1601 1HD2 ASN A 101 30.541 10.874 -38.367 1.00 20.620 H ATOM 1602 2HD2 ASN A 101 28.959 10.124 -38.331 1.00 20.620 H ATOM 1603 N CYS A 102 30.153 11.628 -33.360 1.00 13.020 N ATOM 1604 CA CYS A 102 30.920 12.535 -32.514 1.00 13.530 C ATOM 1605 C CYS A 102 31.210 13.883 -33.173 1.00 14.570 C ATOM 1606 O CYS A 102 31.913 13.955 -34.190 1.00 15.030 O ATOM 1607 CB CYS A 102 32.242 11.884 -32.186 1.00 18.740 C ATOM 1608 SG CYS A 102 33.343 12.887 -31.156 1.00 18.740 S ATOM 1609 H CYS A 102 30.581 10.752 -33.651 1.00 15.620 H ATOM 1610 HA CYS A 102 30.359 12.704 -31.595 1.00 16.240 H ATOM 1611 1HB CYS A 102 32.069 10.939 -31.717 1.00 22.490 H ATOM 1612 2HB CYS A 102 32.724 11.678 -33.111 1.00 22.490 H ATOM 1613 N SER A 103 30.812 14.995 -32.540 1.00 15.050 N ATOM 1614 CA SER A 103 30.993 16.310 -33.171 1.00 16.130 C ATOM 1615 C SER A 103 32.455 16.724 -33.325 1.00 16.650 C ATOM 1616 O SER A 103 32.777 17.609 -34.122 1.00 17.550 O ATOM 1617 CB SER A 103 30.269 17.379 -32.383 1.00 22.150 C ATOM 1618 OG SER A 103 30.908 17.627 -31.176 1.00 22.150 O ATOM 1619 H SER A 103 30.326 14.960 -31.637 1.00 18.060 H ATOM 1620 HA SER A 103 30.552 16.260 -34.167 1.00 19.360 H ATOM 1621 1HB SER A 103 30.219 18.295 -32.968 1.00 26.580 H ATOM 1622 2HB SER A 103 29.248 17.056 -32.191 1.00 26.580 H ATOM 1623 HG SER A 103 30.296 18.155 -30.658 1.00 26.580 H ATOM 1624 N THR A 104 33.338 16.082 -32.570 1.00 16.190 N ATOM 1625 CA THR A 104 34.760 16.376 -32.591 1.00 16.810 C ATOM 1626 C THR A 104 35.597 15.215 -33.118 1.00 16.710 C ATOM 1627 O THR A 104 36.823 15.241 -32.987 1.00 17.380 O ATOM 1628 CB THR A 104 35.284 16.761 -31.180 1.00 23.290 C ATOM 1629 OG1 THR A 104 35.089 15.674 -30.239 1.00 23.290 O ATOM 1630 CG2 THR A 104 34.528 17.972 -30.679 1.00 23.290 C ATOM 1631 H THR A 104 32.984 15.370 -31.942 1.00 19.430 H ATOM 1632 HA THR A 104 34.923 17.224 -33.252 1.00 20.170 H ATOM 1633 HB THR A 104 36.345 16.996 -31.239 1.00 27.940 H ATOM 1634 HG1 THR A 104 35.660 14.931 -30.498 1.00 27.940 H ATOM 1635 1HG2 THR A 104 34.899 18.251 -29.696 1.00 27.940 H ATOM 1636 2HG2 THR A 104 34.670 18.800 -31.373 1.00 27.940 H ATOM 1637 3HG2 THR A 104 33.469 17.739 -30.611 1.00 27.940 H ATOM 1638 N CYS A 105 34.959 14.166 -33.647 1.00 16.000 N ATOM 1639 CA CYS A 105 35.741 13.009 -34.087 1.00 15.990 C ATOM 1640 C CYS A 105 35.371 12.633 -35.520 1.00 16.270 C ATOM 1641 O CYS A 105 36.188 12.100 -36.271 1.00 16.540 O ATOM 1642 CB CYS A 105 35.454 11.779 -33.234 1.00 22.390 C ATOM 1643 SG CYS A 105 35.297 12.071 -31.426 1.00 22.390 S ATOM 1644 H CYS A 105 33.945 14.200 -33.768 1.00 19.200 H ATOM 1645 HA CYS A 105 36.802 13.250 -34.047 1.00 19.190 H ATOM 1646 1HB CYS A 105 34.642 11.222 -33.612 1.00 26.870 H ATOM 1647 2HB CYS A 105 36.310 11.119 -33.348 1.00 26.870 H ATOM 1648 N LYS A 106 34.090 12.852 -35.852 1.00 16.300 N ATOM 1649 CA LYS A 106 33.396 12.486 -37.091 1.00 16.600 C ATOM 1650 C LYS A 106 33.134 10.980 -37.271 1.00 16.300 C ATOM 1651 O LYS A 106 32.542 10.572 -38.277 1.00 16.440 O ATOM 1652 CB LYS A 106 34.171 13.013 -38.308 1.00 23.120 C ATOM 1653 CG LYS A 106 34.408 14.524 -38.290 1.00 23.120 C ATOM 1654 CD LYS A 106 35.114 14.997 -39.548 1.00 23.120 C ATOM 1655 CE LYS A 106 35.386 16.498 -39.498 1.00 23.120 C ATOM 1656 NZ LYS A 106 36.119 16.977 -40.709 1.00 23.120 N ATOM 1657 H LYS A 106 33.484 13.313 -35.175 1.00 19.560 H ATOM 1658 HA LYS A 106 32.426 12.984 -37.073 1.00 19.920 H ATOM 1659 1HB LYS A 106 35.127 12.509 -38.403 1.00 27.740 H ATOM 1660 2HB LYS A 106 33.604 12.786 -39.210 1.00 27.740 H ATOM 1661 1HG LYS A 106 33.449 15.033 -38.199 1.00 27.740 H ATOM 1662 2HG LYS A 106 35.017 14.788 -37.427 1.00 27.740 H ATOM 1663 1HD LYS A 106 36.063 14.467 -39.648 1.00 27.740 H ATOM 1664 2HD LYS A 106 34.499 14.773 -40.418 1.00 27.740 H ATOM 1665 1HE LYS A 106 34.438 17.029 -39.428 1.00 27.740 H ATOM 1666 2HE LYS A 106 35.983 16.722 -38.614 1.00 27.740 H ATOM 1667 1HZ LYS A 106 36.277 17.973 -40.634 1.00 27.740 H ATOM 1668 2HZ LYS A 106 37.008 16.501 -40.779 1.00 27.740 H ATOM 1669 3HZ LYS A 106 35.571 16.787 -41.536 1.00 27.740 H ATOM 1670 N GLY A 107 33.486 10.161 -36.275 1.00 16.010 N ATOM 1671 CA GLY A 107 33.188 8.736 -36.311 1.00 15.840 C ATOM 1672 C GLY A 107 31.972 8.443 -35.445 1.00 15.080 C ATOM 1673 O GLY A 107 31.442 9.349 -34.787 1.00 15.030 O ATOM 1674 H GLY A 107 33.974 10.540 -35.481 1.00 19.210 H ATOM 1675 1HA GLY A 107 32.997 8.422 -37.338 1.00 19.010 H ATOM 1676 2HA GLY A 107 34.047 8.170 -35.952 1.00 19.010 H ATOM 1677 N THR A 108 31.592 7.165 -35.353 1.00 14.640 N ATOM 1678 CA THR A 108 30.421 6.802 -34.566 1.00 13.940 C ATOM 1679 C THR A 108 30.611 5.663 -33.577 1.00 13.550 C ATOM 1680 O THR A 108 31.483 4.807 -33.745 1.00 13.550 O ATOM 1681 CB THR A 108 29.283 6.335 -35.485 1.00 19.800 C ATOM 1682 OG1 THR A 108 29.703 5.143 -36.177 1.00 19.800 O ATOM 1683 CG2 THR A 108 28.901 7.368 -36.486 1.00 19.800 C ATOM 1684 H THR A 108 32.075 6.447 -35.876 1.00 17.570 H ATOM 1685 HA THR A 108 30.111 7.675 -34.003 1.00 16.730 H ATOM 1686 HB THR A 108 28.431 6.123 -34.880 1.00 23.760 H ATOM 1687 HG1 THR A 108 29.844 4.428 -35.543 1.00 23.760 H ATOM 1688 1HG2 THR A 108 28.087 6.989 -37.097 1.00 23.760 H ATOM 1689 2HG2 THR A 108 28.582 8.235 -35.973 1.00 23.760 H ATOM 1690 3HG2 THR A 108 29.747 7.609 -37.121 1.00 23.760 H ATOM 1691 N GLU A 109 29.710 5.646 -32.592 1.00 13.360 N ATOM 1692 CA GLU A 109 29.539 4.582 -31.585 1.00 12.920 C ATOM 1693 C GLU A 109 28.132 4.699 -31.001 1.00 12.230 C ATOM 1694 O GLU A 109 27.506 5.758 -31.102 1.00 12.340 O ATOM 1695 CB GLU A 109 30.617 4.631 -30.482 1.00 18.260 C ATOM 1696 CG GLU A 109 30.581 3.495 -29.423 1.00 18.260 C ATOM 1697 CD GLU A 109 30.641 2.105 -30.006 1.00 18.260 C ATOM 1698 OE1 GLU A 109 29.607 1.653 -30.456 1.00 18.260 O ATOM 1699 OE2 GLU A 109 31.686 1.500 -29.994 1.00 18.260 O ATOM 1700 H GLU A 109 29.079 6.456 -32.573 1.00 16.030 H ATOM 1701 HA GLU A 109 29.613 3.612 -32.084 1.00 15.500 H ATOM 1702 1HB GLU A 109 31.607 4.621 -30.936 1.00 21.920 H ATOM 1703 2HB GLU A 109 30.510 5.555 -29.925 1.00 21.920 H ATOM 1704 1HG GLU A 109 31.453 3.623 -28.784 1.00 21.920 H ATOM 1705 2HG GLU A 109 29.706 3.598 -28.782 1.00 21.920 H ATOM 1706 N VAL A 110 27.614 3.630 -30.417 1.00 11.700 N ATOM 1707 CA VAL A 110 26.307 3.739 -29.781 1.00 11.220 C ATOM 1708 C VAL A 110 26.466 3.706 -28.257 1.00 10.810 C ATOM 1709 O VAL A 110 27.032 2.773 -27.693 1.00 10.670 O ATOM 1710 CB VAL A 110 25.362 2.624 -30.314 1.00 15.900 C ATOM 1711 CG1 VAL A 110 25.927 1.227 -30.066 1.00 15.900 C ATOM 1712 CG2 VAL A 110 24.000 2.751 -29.683 1.00 15.900 C ATOM 1713 H VAL A 110 28.176 2.769 -30.383 1.00 14.040 H ATOM 1714 HA VAL A 110 25.859 4.688 -30.056 1.00 13.460 H ATOM 1715 HB VAL A 110 25.267 2.752 -31.393 1.00 19.080 H ATOM 1716 1HG1 VAL A 110 25.247 0.491 -30.488 1.00 19.080 H ATOM 1717 2HG1 VAL A 110 26.900 1.132 -30.542 1.00 19.080 H ATOM 1718 3HG1 VAL A 110 26.027 1.037 -29.000 1.00 19.080 H ATOM 1719 1HG2 VAL A 110 23.341 1.990 -30.095 1.00 19.080 H ATOM 1720 2HG2 VAL A 110 24.085 2.606 -28.634 1.00 19.080 H ATOM 1721 3HG2 VAL A 110 23.602 3.731 -29.892 1.00 19.080 H ATOM 1722 N SER A 111 25.939 4.737 -27.587 1.00 10.830 N ATOM 1723 CA SER A 111 26.046 4.849 -26.131 1.00 10.760 C ATOM 1724 C SER A 111 25.001 4.008 -25.417 1.00 10.790 C ATOM 1725 O SER A 111 25.097 3.757 -24.219 1.00 10.970 O ATOM 1726 CB SER A 111 25.887 6.291 -25.704 1.00 15.090 C ATOM 1727 OG SER A 111 24.574 6.711 -25.891 1.00 15.090 O ATOM 1728 H SER A 111 25.480 5.476 -28.096 1.00 13.000 H ATOM 1729 HA SER A 111 27.034 4.498 -25.830 1.00 12.910 H ATOM 1730 1HB SER A 111 26.162 6.395 -24.652 1.00 18.110 H ATOM 1731 2HB SER A 111 26.559 6.920 -26.286 1.00 18.110 H ATOM 1732 HG SER A 111 24.564 7.654 -25.701 1.00 18.110 H ATOM 1733 N CYS A 112 24.005 3.572 -26.164 1.00 10.840 N ATOM 1734 CA CYS A 112 22.932 2.758 -25.633 1.00 11.140 C ATOM 1735 C CYS A 112 23.411 1.333 -25.757 1.00 11.550 C ATOM 1736 O CYS A 112 24.008 0.977 -26.769 1.00 11.780 O ATOM 1737 CB CYS A 112 21.640 2.918 -26.455 1.00 15.480 C ATOM 1738 SG CYS A 112 20.930 4.625 -26.541 1.00 15.480 S ATOM 1739 H CYS A 112 24.023 3.812 -27.137 1.00 13.010 H ATOM 1740 HA CYS A 112 22.762 2.988 -24.584 1.00 13.370 H ATOM 1741 1HB CYS A 112 21.824 2.579 -27.472 1.00 18.570 H ATOM 1742 2HB CYS A 112 20.874 2.254 -26.042 1.00 18.570 H ATOM 1743 N TRP A 113 23.123 0.482 -24.787 1.00 11.860 N ATOM 1744 CA TRP A 113 23.548 -0.889 -24.975 1.00 12.520 C ATOM 1745 C TRP A 113 22.802 -1.365 -26.220 1.00 12.970 C ATOM 1746 O TRP A 113 21.606 -1.107 -26.306 1.00 13.460 O ATOM 1747 CB TRP A 113 23.204 -1.770 -23.784 1.00 17.260 C ATOM 1748 CG TRP A 113 23.790 -3.117 -23.936 1.00 17.260 C ATOM 1749 CD1 TRP A 113 23.186 -4.251 -24.375 1.00 17.260 C ATOM 1750 CD2 TRP A 113 25.156 -3.472 -23.660 1.00 17.260 C ATOM 1751 NE1 TRP A 113 24.083 -5.285 -24.386 1.00 17.260 N ATOM 1752 CE2 TRP A 113 25.292 -4.826 -23.953 1.00 17.260 C ATOM 1753 CE3 TRP A 113 26.263 -2.754 -23.198 1.00 17.260 C ATOM 1754 CZ2 TRP A 113 26.492 -5.487 -23.804 1.00 17.260 C ATOM 1755 CZ3 TRP A 113 27.468 -3.417 -23.048 1.00 17.260 C ATOM 1756 CH2 TRP A 113 27.579 -4.750 -23.341 1.00 17.260 C ATOM 1757 H TRP A 113 22.629 0.783 -23.956 1.00 14.230 H ATOM 1758 HA TRP A 113 24.620 -0.907 -25.103 1.00 15.020 H ATOM 1759 1HB TRP A 113 23.588 -1.321 -22.863 1.00 20.720 H ATOM 1760 2HB TRP A 113 22.136 -1.857 -23.686 1.00 20.720 H ATOM 1761 HD1 TRP A 113 22.153 -4.327 -24.685 1.00 20.720 H ATOM 1762 HE1 TRP A 113 23.879 -6.233 -24.675 1.00 20.720 H ATOM 1763 HE3 TRP A 113 26.181 -1.692 -22.960 1.00 20.720 H ATOM 1764 HZ2 TRP A 113 26.602 -6.547 -24.032 1.00 20.720 H ATOM 1765 HZ3 TRP A 113 28.326 -2.852 -22.686 1.00 20.720 H ATOM 1766 HH2 TRP A 113 28.543 -5.242 -23.212 1.00 20.720 H ATOM 1767 N PRO A 114 23.450 -1.982 -27.225 1.00 13.060 N ATOM 1768 CA PRO A 114 22.804 -2.451 -28.437 1.00 13.680 C ATOM 1769 C PRO A 114 21.635 -3.365 -28.126 1.00 14.580 C ATOM 1770 O PRO A 114 21.739 -4.238 -27.264 1.00 15.230 O ATOM 1771 CB PRO A 114 23.938 -3.216 -29.134 1.00 20.520 C ATOM 1772 CG PRO A 114 25.203 -2.544 -28.646 1.00 20.520 C ATOM 1773 CD PRO A 114 24.921 -2.180 -27.207 1.00 20.520 C ATOM 1774 HA PRO A 114 22.474 -1.582 -29.030 1.00 16.420 H ATOM 1775 1HB PRO A 114 23.888 -4.284 -28.866 1.00 24.620 H ATOM 1776 2HB PRO A 114 23.812 -3.154 -30.225 1.00 24.620 H ATOM 1777 1HG PRO A 114 26.058 -3.230 -28.744 1.00 24.620 H ATOM 1778 2HG PRO A 114 25.430 -1.666 -29.261 1.00 24.620 H ATOM 1779 1HD PRO A 114 25.209 -2.992 -26.530 1.00 24.620 H ATOM 1780 2HD PRO A 114 25.454 -1.237 -27.010 1.00 24.620 H ATOM 1781 N ARG A 115 20.544 -3.186 -28.868 1.00 14.740 N ATOM 1782 CA ARG A 115 19.315 -3.960 -28.740 1.00 15.660 C ATOM 1783 C ARG A 115 18.835 -4.133 -27.299 1.00 15.840 C ATOM 1784 O ARG A 115 18.556 -5.262 -26.878 1.00 16.350 O ATOM 1785 CB ARG A 115 19.497 -5.336 -29.363 1.00 21.560 C ATOM 1786 CG ARG A 115 19.813 -5.324 -30.850 1.00 21.560 C ATOM 1787 CD ARG A 115 19.897 -6.696 -31.408 1.00 21.560 C ATOM 1788 NE ARG A 115 20.202 -6.678 -32.837 1.00 21.560 N ATOM 1789 CZ ARG A 115 20.391 -7.769 -33.613 1.00 21.560 C ATOM 1790 NH1 ARG A 115 20.304 -8.981 -33.100 1.00 21.560 N ATOM 1791 NH2 ARG A 115 20.664 -7.616 -34.900 1.00 21.560 N ATOM 1792 H ARG A 115 20.545 -2.447 -29.569 1.00 17.690 H ATOM 1793 HA ARG A 115 18.536 -3.432 -29.289 1.00 18.790 H ATOM 1794 1HB ARG A 115 20.303 -5.865 -28.854 1.00 25.870 H ATOM 1795 2HB ARG A 115 18.588 -5.918 -29.229 1.00 25.870 H ATOM 1796 1HG ARG A 115 19.034 -4.779 -31.383 1.00 25.870 H ATOM 1797 2HG ARG A 115 20.772 -4.832 -31.009 1.00 25.870 H ATOM 1798 1HD ARG A 115 20.686 -7.242 -30.890 1.00 25.870 H ATOM 1799 2HD ARG A 115 18.943 -7.201 -31.263 1.00 25.870 H ATOM 1800 HE ARG A 115 20.281 -5.771 -33.281 1.00 25.870 H ATOM 1801 1HH1 ARG A 115 20.095 -9.106 -32.121 1.00 25.870 H ATOM 1802 2HH1 ARG A 115 20.445 -9.791 -33.687 1.00 25.870 H ATOM 1803 1HH2 ARG A 115 20.730 -6.687 -35.296 1.00 25.870 H ATOM 1804 2HH2 ARG A 115 20.805 -8.423 -35.490 1.00 25.870 H ATOM 1805 N LYS A 116 18.697 -3.031 -26.556 1.00 15.560 N ATOM 1806 CA LYS A 116 18.238 -3.146 -25.176 1.00 15.820 C ATOM 1807 C LYS A 116 17.532 -1.912 -24.626 1.00 15.750 C ATOM 1808 O LYS A 116 18.007 -0.786 -24.760 1.00 16.070 O ATOM 1809 CB LYS A 116 19.414 -3.495 -24.272 1.00 22.040 C ATOM 1810 CG LYS A 116 19.049 -3.723 -22.808 1.00 22.040 C ATOM 1811 CD LYS A 116 20.220 -4.282 -22.017 1.00 22.040 C ATOM 1812 CE LYS A 116 19.874 -4.429 -20.538 1.00 22.040 C ATOM 1813 NZ LYS A 116 18.838 -5.487 -20.289 1.00 22.040 N ATOM 1814 H LYS A 116 18.918 -2.114 -26.969 1.00 18.670 H ATOM 1815 HA LYS A 116 17.524 -3.967 -25.134 1.00 18.980 H ATOM 1816 1HB LYS A 116 19.885 -4.402 -24.644 1.00 26.450 H ATOM 1817 2HB LYS A 116 20.145 -2.699 -24.332 1.00 26.450 H ATOM 1818 1HG LYS A 116 18.758 -2.771 -22.358 1.00 26.450 H ATOM 1819 2HG LYS A 116 18.205 -4.403 -22.751 1.00 26.450 H ATOM 1820 1HD LYS A 116 20.509 -5.254 -22.425 1.00 26.450 H ATOM 1821 2HD LYS A 116 21.067 -3.605 -22.110 1.00 26.450 H ATOM 1822 1HE LYS A 116 20.779 -4.686 -19.988 1.00 26.450 H ATOM 1823 2HE LYS A 116 19.495 -3.475 -20.168 1.00 26.450 H ATOM 1824 1HZ LYS A 116 18.647 -5.539 -19.299 1.00 26.450 H ATOM 1825 2HZ LYS A 116 17.983 -5.262 -20.776 1.00 26.450 H ATOM 1826 3HZ LYS A 116 19.180 -6.379 -20.612 1.00 26.450 H ATOM 1827 N ARG A 117 16.405 -2.128 -23.950 1.00 15.470 N ATOM 1828 CA ARG A 117 15.739 -1.018 -23.290 1.00 15.530 C ATOM 1829 C ARG A 117 16.245 -0.963 -21.851 1.00 14.800 C ATOM 1830 O ARG A 117 16.384 -1.993 -21.191 1.00 14.820 O ATOM 1831 CB ARG A 117 14.217 -1.136 -23.341 1.00 21.720 C ATOM 1832 CG ARG A 117 13.595 -0.799 -24.720 1.00 21.720 C ATOM 1833 CD ARG A 117 13.266 -2.005 -25.507 1.00 21.720 C ATOM 1834 NE ARG A 117 12.009 -2.619 -25.061 1.00 21.720 N ATOM 1835 CZ ARG A 117 11.620 -3.896 -25.309 1.00 21.720 C ATOM 1836 NH1 ARG A 117 12.396 -4.729 -25.986 1.00 21.720 N ATOM 1837 NH2 ARG A 117 10.443 -4.310 -24.871 1.00 21.720 N ATOM 1838 H ARG A 117 16.040 -3.066 -23.867 1.00 18.560 H ATOM 1839 HA ARG A 117 16.017 -0.092 -23.785 1.00 18.640 H ATOM 1840 1HB ARG A 117 13.919 -2.148 -23.076 1.00 26.060 H ATOM 1841 2HB ARG A 117 13.772 -0.461 -22.605 1.00 26.060 H ATOM 1842 1HG ARG A 117 12.667 -0.243 -24.579 1.00 26.060 H ATOM 1843 2HG ARG A 117 14.293 -0.196 -25.303 1.00 26.060 H ATOM 1844 1HD ARG A 117 13.156 -1.720 -26.544 1.00 26.060 H ATOM 1845 2HD ARG A 117 14.064 -2.731 -25.413 1.00 26.060 H ATOM 1846 HE ARG A 117 11.343 -2.009 -24.551 1.00 26.060 H ATOM 1847 1HH1 ARG A 117 13.293 -4.425 -26.330 1.00 26.060 H ATOM 1848 2HH1 ARG A 117 12.090 -5.676 -26.163 1.00 26.060 H ATOM 1849 1HH2 ARG A 117 9.843 -3.670 -24.356 1.00 26.060 H ATOM 1850 2HH2 ARG A 117 10.136 -5.253 -25.046 1.00 26.060 H ATOM 1851 N CYS A 118 16.512 0.243 -21.374 1.00 14.280 N ATOM 1852 CA CYS A 118 17.020 0.486 -20.027 1.00 13.680 C ATOM 1853 C CYS A 118 15.989 0.421 -18.910 1.00 13.660 C ATOM 1854 O CYS A 118 16.351 0.269 -17.741 1.00 13.980 O ATOM 1855 CB CYS A 118 17.621 1.870 -19.971 1.00 19.390 C ATOM 1856 SG CYS A 118 16.370 3.118 -20.205 1.00 19.390 S ATOM 1857 H CYS A 118 16.378 1.030 -21.989 1.00 17.140 H ATOM 1858 HA CYS A 118 17.796 -0.252 -19.826 1.00 16.420 H ATOM 1859 1HB CYS A 118 18.066 2.029 -18.990 1.00 23.270 H ATOM 1860 2HB CYS A 118 18.402 1.999 -20.712 1.00 23.270 H ATOM 1861 HG CYS A 118 17.057 4.108 -19.599 1.00 23.270 H ATOM 1862 N PHE A 119 14.716 0.565 -19.250 1.00 13.440 N ATOM 1863 CA PHE A 119 13.705 0.604 -18.218 1.00 13.600 C ATOM 1864 C PHE A 119 12.350 0.187 -18.818 1.00 14.160 C ATOM 1865 O PHE A 119 11.983 0.678 -19.901 1.00 14.270 O ATOM 1866 CB PHE A 119 13.616 2.023 -17.648 1.00 18.980 C ATOM 1867 CG PHE A 119 12.945 2.103 -16.322 1.00 18.980 C ATOM 1868 CD1 PHE A 119 13.689 1.928 -15.164 1.00 18.980 C ATOM 1869 CD2 PHE A 119 11.601 2.312 -16.208 1.00 18.980 C ATOM 1870 CE1 PHE A 119 13.099 1.975 -13.935 1.00 18.980 C ATOM 1871 CE2 PHE A 119 11.002 2.352 -14.966 1.00 18.980 C ATOM 1872 CZ PHE A 119 11.756 2.187 -13.833 1.00 18.980 C ATOM 1873 H PHE A 119 14.467 0.678 -20.219 1.00 16.130 H ATOM 1874 HA PHE A 119 14.023 -0.052 -17.422 1.00 16.320 H ATOM 1875 1HB PHE A 119 14.614 2.433 -17.550 1.00 22.770 H ATOM 1876 2HB PHE A 119 13.073 2.659 -18.343 1.00 22.770 H ATOM 1877 HD1 PHE A 119 14.760 1.748 -15.244 1.00 22.770 H ATOM 1878 HD2 PHE A 119 11.011 2.431 -17.114 1.00 22.770 H ATOM 1879 HE1 PHE A 119 13.698 1.834 -13.042 1.00 22.770 H ATOM 1880 HE2 PHE A 119 9.932 2.508 -14.874 1.00 22.770 H ATOM 1881 HZ PHE A 119 11.281 2.217 -12.856 1.00 22.770 H ATOM 1882 N PRO A 120 11.589 -0.712 -18.157 1.00 14.710 N ATOM 1883 CA PRO A 120 10.286 -1.162 -18.588 1.00 15.450 C ATOM 1884 C PRO A 120 9.395 0.027 -18.837 1.00 15.510 C ATOM 1885 O PRO A 120 9.353 0.957 -18.037 1.00 15.410 O ATOM 1886 CB PRO A 120 9.800 -1.973 -17.382 1.00 23.170 C ATOM 1887 CG PRO A 120 11.065 -2.488 -16.743 1.00 23.170 C ATOM 1888 CD PRO A 120 12.066 -1.368 -16.906 1.00 23.170 C ATOM 1889 HA PRO A 120 10.385 -1.785 -19.490 1.00 18.540 H ATOM 1890 1HB PRO A 120 9.213 -1.327 -16.710 1.00 27.810 H ATOM 1891 2HB PRO A 120 9.130 -2.778 -17.716 1.00 27.810 H ATOM 1892 1HG PRO A 120 10.879 -2.734 -15.685 1.00 27.810 H ATOM 1893 2HG PRO A 120 11.384 -3.419 -17.233 1.00 27.810 H ATOM 1894 1HD PRO A 120 12.035 -0.678 -16.049 1.00 27.810 H ATOM 1895 2HD PRO A 120 13.044 -1.849 -17.038 1.00 27.810 H ATOM 1896 N GLY A 121 8.656 -0.018 -19.926 1.00 15.850 N ATOM 1897 CA GLY A 121 7.783 1.076 -20.290 1.00 16.140 C ATOM 1898 C GLY A 121 8.006 1.429 -21.743 1.00 15.970 C ATOM 1899 O GLY A 121 7.057 1.775 -22.448 1.00 16.390 O ATOM 1900 H GLY A 121 8.715 -0.816 -20.545 1.00 19.020 H ATOM 1901 1HA GLY A 121 6.743 0.791 -20.131 1.00 19.370 H ATOM 1902 2HA GLY A 121 7.990 1.943 -19.666 1.00 19.370 H ATOM 1903 N SER A 122 9.264 1.345 -22.186 1.00 15.510 N ATOM 1904 CA SER A 122 9.574 1.696 -23.573 1.00 15.490 C ATOM 1905 C SER A 122 9.389 0.483 -24.505 1.00 15.980 C ATOM 1906 O SER A 122 8.780 0.582 -25.584 1.00 16.100 O ATOM 1907 OXT SER A 122 9.818 -0.622 -24.154 1.00 23.230 O ATOM 1908 CB SER A 122 10.971 2.267 -23.683 1.00 20.920 C ATOM 1909 OG SER A 122 11.276 2.570 -25.016 1.00 20.920 O ATOM 1910 H SER A 122 10.010 1.061 -21.534 1.00 18.610 H ATOM 1911 HA SER A 122 8.895 2.482 -23.878 1.00 18.590 H ATOM 1912 1HB SER A 122 11.042 3.160 -23.087 1.00 25.110 H ATOM 1913 2HB SER A 122 11.687 1.553 -23.288 1.00 25.110 H ATOM 1914 HG SER A 122 10.758 3.398 -25.223 1.00 25.110 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE model04_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 -674.963 76.0178 505.39 -38.3716 11.1639 24.5821 257.6 -265.762 -0.71557 -4.99521 -209.837 -29.8256 -80.362 -15.0813 -11.0045 -13.053 0.8953 5.44736 9.34401 81.9299 75.9815 -15.1068 30.9902 -11.1681 29.8145 108.08 -153.01 CYS:NtermProteinFull_1 -2.66328 0.21742 0.92679 -0.08367 7e-05 0.04392 0.15714 -0.69994 -0.00892 -0.12847 -1.04914 0.6038 0 0 0 0 0 -0.01427 0.00041 0.55459 0 0 0 3.6196 0 0.09711 1.57316 VAL_2 -3.0218 0.2433 0.94687 -0.26848 0.1501 0.05219 0.55959 -0.92504 -0 -0 -0.65488 0.01814 0 0 0 0 0 -0.07852 0.00576 0.12088 0 -0.46821 0 1.9342 -0.24861 0.22605 -1.40847 PHE_3 -7.74877 0.71009 3.74332 -0.57325 0.06329 0.27222 1.79842 -2.30326 -3e-05 -9e-05 -1.47272 0.19901 0 0 0 0 0 0.06812 0.10461 0 2.1252 -0.15496 0 1.0402 -0.13907 0.43585 -1.83183 CYS_4 -3.82161 0.26942 3.47989 -0.07888 0 0.04154 1.79745 -1.59957 -0 -0 -2.74476 0.07851 0 0 -0.68051 0 0 0.10838 6e-05 0.58803 0 0.06397 0 3.6196 -0.18874 0.45689 1.38967 ARG_5 -4.40907 0.33747 4.12641 -0.44173 0.0397 0.21649 1.96856 -1.82651 -0 -0 -3.13629 0.58418 0 0 0 -0.82747 0 -0.01856 0.14342 2.05097 0 -0.13285 0 -1.2888 -0.46863 0.59257 -2.49012 LEU_6 -7.66584 1.04611 3.20954 -0.47164 0.23693 0.11261 1.2029 -2.0775 -0 -0 -0.1565 -0.02524 0 0 0 0 0 -0.02302 0.05756 1.05914 0 -0.29679 0 0.18072 0.21816 1.31126 -2.0816 PRO_7 -4.97131 0.74979 4.75178 -0.19244 0.00126 0.13575 2.67409 -1.99087 -0.00082 -0.0079 -3.35618 0.04854 0 0 0 0 0 -0.00758 0.01791 0.5664 0 -1.02494 0 -2.4119 0.13488 1.08676 -3.79676 ALA_8 -5.47537 0.70885 4.12172 -0.02328 0 0 2.13994 -2.48814 -0 -0 -2.22037 -0.38294 0 0 -0.55896 0 0 -0.10109 0 0 0 -0.37047 0 1.8394 -0.32782 0.4336 -2.70493 HIS_9 -2.96792 0.24947 3.47637 -0.4672 0.00177 0.56361 0.68395 -1.60383 -0.00022 -0.00327 -0.20366 -1.57838 0 0 0 0 0 -0.06109 0.12065 0 3.26018 0.19335 0 -0.45461 -0.18645 0.37965 1.40236 ASP_10 -4.95763 0.49184 6.17028 -0.10542 0.00185 0.31915 3.03978 -2.62092 -0 -0 -3.29994 -0.29266 0 0 0 0 0 -0.04228 0.00537 0 1.96593 -0.20037 0 -2.3716 -0.13194 0.30136 -1.72721 LEU_11 -8.86077 1.06107 4.92069 -0.4701 0.16343 0.10781 2.93759 -3.01912 -0 -0 -1.96189 0.21214 0 0 0 0 0 0.13423 0.03857 0.27504 0 -0.28609 0 0.18072 -0.20922 0.46588 -4.31003 SER_12 -4.5249 0.50529 4.32677 -0.03286 0 0.0742 1.61385 -2.26639 -0.00082 -0.0079 -1.07754 -0.44867 0 0 0 0 0 -0.01921 0.00172 1.09895 0 0.30809 0.60634 -0.77834 -0.0012 0.52051 -0.10213 GLY_13 -2.74555 0.35124 3.61997 -6e-05 0 0 1.85842 -1.81657 -0 -0 -1.4799 -0.34968 0 0 0 0 0 -0.04029 0 0 0 0.97606 0 0.83697 0.81799 0.2822 2.31078 ARG_14 -8.71409 0.71078 6.94582 -0.55828 0.05831 0.30296 4.13892 -3.4362 -0 -0 -3.22918 0.20441 0 0 0 0 0 -0.09104 0.09836 2.44151 0 -0.1913 0 -1.2888 0.36859 0.38138 -1.85785 LEU_15 -9.21292 1.54392 4.08875 -0.7054 0.41067 0.23646 3.02752 -3.08338 -0 -0 -1.37913 -0.03381 0 0 0 0 0 -0.10858 0.2331 1.65371 0 -0.11375 0 0.18072 -0.37406 0.61817 -3.01801 ALA_16 -4.12464 0.35777 3.16436 -0.02779 0.00484 0 1.64164 -1.97247 -0 -0 -1.94589 -0.43929 0 0 -0.41073 0 0 -0.0207 0 0 0 -0.00557 0 1.8394 -0.4094 0.43021 -1.91825 ARG_17 -5.01129 0.4975 5.04626 -1.00179 0.31794 0.80398 2.83743 -2.51222 -0 -0 -2.92225 -0.11248 0 0 -0.41073 0 0 0.30445 0.05878 2.41483 0 -0.24743 0 -1.2888 -0.11535 0.59658 -0.74457 LEU_18 -9.16144 1.12143 4.10752 -0.6222 0.11792 0.20724 3.26594 -2.95462 -0 -0 -2.42525 0.04508 0 0 0 0 0 -0.05812 0.04778 1.11227 0 -0.26297 0 0.18072 0.01848 1.01151 -4.24872 CYS_19 -7.45016 0.92439 4.87918 -0.07942 0.00024 0.04176 1.95633 -2.4711 -0.00479 -0.0653 -0.90136 -0.33699 0 0 0 0 0 -0.0383 0.00142 0.53462 0 0.30143 0 3.6196 -0.27809 0.71801 1.35147 SER_20 -3.58438 0.2689 4.39381 -0.03835 5e-05 0.05304 2.04856 -2.02401 -0 -0 -1.96628 -0.4913 0 0 0 -0.71942 0 -0.00972 0.01845 0.19054 0 -0.28456 1.73874 -0.77834 -0.45498 0.33679 -1.30244 GLN_21 -4.62937 0.50671 5.5637 -0.67514 0.09892 0.79649 3.21713 -2.68439 -0.00095 -0.02294 -2.40225 -0.64011 0 0 0 -0.71942 0 0.028 0.15066 0 2.40296 -0.16913 0 -0.18838 -0.19484 0.28277 0.72043 MET_22 -8.92466 1.09264 4.67591 -0.29226 0.02394 0.08771 2.76668 -2.75489 -0 -0 -0.92867 -0.13153 0 0 0 0 0 0.16308 0.04361 1.75809 0 -0.06655 0 0.60916 0.0506 0.47503 -1.35212 GLU_23 -5.84574 0.42078 7.17794 -0.3493 0.12873 0.43412 2.44377 -3.00646 -0.03061 -0.29751 -2.68729 -0.6958 0 0 0 0 0 -0.03109 0.03733 0 3.50083 -0.26961 0 -2.7348 -0.40332 0.53551 -1.67253 ALA_24 -4.77991 0.54315 5.32236 -0.02059 0 0 2.8187 -2.7672 -0 -0 -1.82155 -0.35747 0 0 0 0 0 -0.02321 0 0 0 -0.18601 0 1.8394 -0.4804 0.41186 0.49913 ARG_25 -7.08315 0.63394 6.90068 -0.98745 0.25216 0.76212 2.76717 -3.12382 -0.00107 -0.02334 -2.90161 0.35144 0 0 0 -0.57819 0 -0.01815 0.11076 3.21413 0 -0.1674 0 -1.2888 -0.42384 0.46393 -1.14048 GLN_26 -7.92162 0.83033 5.55622 -0.25432 0.02973 0.17742 2.51641 -2.93837 -0.02808 -0.1949 -1.01872 -0.4293 0 0 0 0 0 -0.05155 0.10491 0 2.7147 -0.17043 0 -0.18838 -0.41034 0.51698 -1.15932 LYS_27 -4.02329 0.2712 5.35132 -0.31731 0.03824 0.15979 2.06071 -2.20479 -0 -0 -1.99153 -0.10442 0 0 0 0 0 0.01042 0.00798 1.92893 0 -0.16451 0 -1.5107 -0.34019 0.48767 -0.34049 GLU_28 -3.1938 0.14192 3.94584 -0.22072 0.03056 0.33995 1.15373 -1.76666 -0 -0 -1.7383 -0.62259 0 0 0 0 0 -0.06635 0.08028 0 2.93852 -0.09997 0 -2.7348 -0.45002 0.31589 -1.94652 CYS_29 -4.1636 0.59193 2.73002 -0.04679 0 0.01473 1.30111 -1.37095 -0.01504 -0.09107 -1.19007 -0.2253 0 0 0 0 0 0.0005 0.01742 0.20724 0 -0.0985 0 3.6196 -0.34651 0.1876 1.12233 GLY_30 -1.04391 0.07201 1.49802 -0.00034 0 0 0.51105 -0.67267 -0 -0 -0.26406 -0.15789 0 0 0 0 0 -0.0703 0 0 0 -0.53752 0 0.83697 -0.09201 0.21801 0.29736 ALA_31 -0.68444 0.05884 0.66285 -0.02572 0.00033 0 0.03686 -0.32996 -0 -0 0.08068 -0.25486 0 0 0 0 0 -0.01478 0 0 0 0.0519 0 1.8394 -0.41559 0.25192 1.25742 SER_32 -3.72289 0.55099 4.63826 -0.02773 0.00025 0.04633 2.68937 -2.0167 -0.00032 -0.0038 -1.75182 -0.9496 0 0 0 0 0 0.05093 0.00172 0.26556 0 -0.38252 0.6022 -0.77834 -0.06101 0.91883 0.06972 PRO_33 -2.91966 0.53937 2.6974 -0.06483 0 0.04095 1.36845 -1.31357 -0 -0 -0.53371 0.62222 0 0 0 0 0 -0.04693 0.03031 0.17604 0 -0.4881 0 -2.4119 0.46257 1.0571 -0.78429 ASP_34 -6.18593 0.42718 6.64114 -0.10952 0.00526 0.32537 2.77468 -2.89056 -0.00072 -0.00379 -4.26688 -0.6979 0 0 -0.42505 -0.44661 0 -0.07585 0.00618 0 1.80251 0.04885 0 -2.3716 0.29973 0.47696 -4.66655 PHE_35 -10.078 1.49363 4.02288 -0.74733 0.15899 0.45377 2.58565 -2.91441 -0.00192 -0.02961 -1.77939 0.31084 0 0 0 0 0 0.03091 0.13699 0 2.12695 -0.11295 0 1.0402 0.2903 0.63244 -2.38005 SER_36 -3.48456 0.34309 3.93091 -0.0229 0 0.02075 2.20584 -2.04709 -0.00192 -0.02961 -1.39714 -0.4417 0 0 0 0 0 0.0232 0.00018 0.60033 0 0.25132 0.60184 -0.77834 -0.0024 0.58842 0.36022 ALA_37 -3.01313 0.31368 2.27413 -0.02543 0.0005 0 1.31794 -1.54811 -0.01922 -0.05313 -1.07074 -0.40143 0 0 0 0 0 -0.09238 0 0 0 -0.12446 0 1.8394 -0.4396 0.45546 -0.5865 PHE_38 -9.14218 1.31616 2.7656 -0.60258 0.17865 0.33225 2.10947 -2.45128 -0.02299 -0.15698 -1.15457 -0.12783 0 0 0 0 0 -0.05635 0.12068 0 2.65621 -0.1998 0 1.0402 -0.46867 0.49649 -3.36752 ALA_39 -2.34681 0.16649 2.13879 -0.03094 0.03498 0 1.15742 -1.29215 -0 -0 -0.17421 -0.50634 0 0 0 0 0 4.61804 0 0 0 -0.07607 0 1.8394 0.01961 13.022 18.5702 LEU_40 -5.15868 0.65626 3.03049 -0.42976 0.12819 0.05952 0.95997 -1.79403 -0.03578 -0.28536 0.60539 0.00516 0 0 0 0 0 0.28108 0.00523 0.92305 0 0.68577 0 0.18072 0.79184 13.578 14.187 ASP_41 -3.35517 0.55951 5.47317 -0.22863 0.14478 0.78988 3.03639 -2.30487 -0.02591 -0.18062 -3.21773 -1.3906 0 0 -0.68684 0 0 -0.075 0.08563 0 1.67115 -0.69791 0 -2.3716 0.97206 1.19002 -0.61229 GLU_42 -3.64448 0.2956 4.20633 -0.46411 0.20245 1.42819 2.22242 -2.02449 -0 -0 -2.03398 -2.90435 0 0 0 0 0 -0.103 0.06748 0 3.70358 -0.21306 0 -2.7348 0.5281 0.65971 -0.80842 VAL_43 -5.59568 0.74409 5.35853 -0.32452 0.33753 0.07587 2.99145 -2.71854 -0 -0 -2.70821 -0.3833 0 0 -0.68684 0 0 -0.10732 0.02747 0.66367 0 0.20716 0 1.9342 0.162 0.50796 0.48554 SER_44 -6.09326 0.58403 5.77345 -0.02826 0 0.04521 2.99294 -2.79539 -0.01757 -0.13089 -2.11949 -1.1162 0 0 0 0 0 -0.02591 0.00017 0.29472 0 0.09992 0.60045 -0.77834 -0.29542 0.43461 -2.57523 MET_45 -7.19611 0.4466 6.01791 -0.32819 0.05959 0.10706 2.91566 -2.77685 -0.00834 -0.04973 -2.86217 -0.18913 0 0 0 0 0 0.10527 0.05145 1.9484 0 -5e-05 0 0.60916 -0.22196 0.41903 -0.95239 ASN_46 -4.54726 0.16632 5.40955 -0.16688 0.01485 0.24136 2.33923 -2.61722 -0 -0 -1.22808 -0.3543 0 0 0 0 0 0.03436 0.04638 0 1.44681 0.53256 0 -0.93687 0.1494 0.44551 0.97572 LYS_47 -6.01955 0.43211 5.66536 -0.30512 0.02856 0.13107 2.47912 -2.70029 -0.01889 -0.04933 -2.21293 0.00329 0 0 0 0 0 0.03122 0.11297 1.83644 0 -0.00739 0 -1.5107 0.02697 0.33094 -1.74617 VAL_48 -7.27365 0.56498 4.73498 -0.32271 0.2409 0.07467 3.20369 -2.92487 -0 -0 -3.22722 -0.26454 0 0 0 0 0 -0.06945 0.00764 0.12487 0 -0.28969 0 1.9342 -0.14836 0.40171 -3.23285 THR_49 -6.73886 0.56069 5.41495 -0.12212 0.02346 0.04792 3.56468 -3.08913 -0 -0 -3.37726 -0.23934 0 0 0 0 0 0.33823 0.08115 0.86789 0 0.1589 4.07428 -1.0874 -0.13823 0.71613 1.05594 GLU_50 -4.57515 0.20664 6.10328 -0.35364 0.14015 0.42162 3.02547 -2.6302 -0 -0 -3.22345 -0.60619 0 0 0 -1.1718 0 -0.01659 0.03685 0 3.23144 -0.08023 0 -2.7348 -0.17713 0.68748 -1.71624 LYS_51 -5.99987 0.38045 5.46461 -0.34818 0.03409 0.16508 2.7126 -2.67593 -0 -0 -2.14389 0.31537 0 0 0 0 0 -0.0462 0.01333 2.4898 0 -0.00362 0 -1.5107 -0.33357 0.36889 -1.11775 THR_52 -8.69351 0.87004 5.26484 -0.20296 0.09475 0.07316 3.8268 -3.29618 -0 -0 -3.59196 -0.06039 0 0 0 0 0 0.03132 0.02598 0.08863 0 0.00966 2.33769 -1.0874 -0.20054 0.30189 -4.20819 HIS_D_53 -7.33502 0.67902 6.34261 -0.66911 0.11071 0.67252 3.48994 -3.27854 -0 -0 -3.29763 -0.59487 0 0 0 -1.51081 0 -0.00393 0.17251 0 3.20092 -0.14953 0 -0.45461 0.03903 0.26824 -2.31855 ARG_54 -5.0317 0.18421 5.98325 -0.58308 0.07733 0.31939 3.05581 -2.67129 -0 -0 -3.61413 0.20859 0 0 0 -1.1718 0 -0.01016 0.03201 2.50296 0 -0.11143 0 -1.2888 -0.18856 0.41967 -1.88773 VAL_55 -8.17543 0.91647 4.59593 -0.32202 0.25415 0.07331 2.82704 -2.96151 -0 -0 -2.19464 -0.12727 0 0 0 0 0 -0.05638 0.01887 0.10821 0 -0.30967 0 1.9342 -0.27321 0.59539 -3.09655 LEU_56 -10.5176 1.6037 4.12618 -0.68042 0.39435 0.22132 2.96892 -3.25221 -0 -0 -2.23502 -0.04711 0 0 0 0 0 0.04434 0.16468 1.45637 0 -0.31646 0 0.18072 -0.24494 0.76221 -5.37101 ARG_57 -7.93719 0.52519 7.19752 -0.62786 0.22525 0.3386 3.40312 -3.62933 -0 -0 -3.03975 0.35452 0 0 0 -1.51081 0 0.05219 0.1792 2.64003 0 -0.05642 0 -1.2888 -0.33962 0.97408 -2.54007 VAL_58 -5.13974 0.20626 4.86344 -0.31397 0.23604 0.07266 2.56305 -2.51176 -0 -0 -2.16208 -0.16792 0 0 0 0 0 -0.06452 0.00021 0.05301 0 -0.31475 0 1.9342 -0.19648 0.61472 -0.32766 MET_59 -8.83697 0.68153 4.68525 -0.2978 0.05993 0.04594 2.68981 -2.85071 -0.00152 -0.03292 -2.77796 -0.08454 0 0 0 0 0 0.01752 0.12237 1.10201 0 0.01641 0 0.60916 -0.05961 0.42746 -4.48463 GLU_60 -5.57133 0.41777 7.29194 -0.5575 0.16638 0.96353 3.26182 -3.17955 -0.00022 -0.00327 -4.94093 -0.71801 0 0 -0.55896 -0.82747 0 -0.02183 0.24248 0 5.1226 -0.12292 0 -2.7348 -0.12805 0.68188 -1.21645 ILE_61 -4.22203 0.20572 3.58564 -0.50801 0.39077 0.10518 1.43031 -1.73435 -0 -0 -0.59961 -0.02294 0 0 0 0 0 0.0269 0.02703 0.63769 0 -0.46382 0 0.73287 -0.10757 0.54983 0.03363 LYS_62 -4.34886 0.48424 4.1395 -0.54401 0.21711 0.3678 1.43209 -1.87203 -0.01848 -0.13346 -1.25704 -0.07459 0 0 0 0 0 -0.03145 0.02491 1.79982 0 0.05971 0 -1.5107 -0.04169 0.54541 -0.7617 GLU_63 -3.57188 0.44091 4.6844 -0.27529 0.12388 0.50649 2.40714 -2.09061 -0.01848 -0.13346 -2.76293 -0.42517 0 0 0 -0.60014 0 0.14379 0.038 0 2.69794 0.13334 0 -2.7348 0.28543 0.98787 -0.16357 ALA_64 -4.92469 0.7983 3.40434 -0.01058 0 0 2.80876 -2.34694 -0 -0 -3.02573 -0.3259 0 0 0 0 0 -0.14832 0 0 0 0.32518 0 1.8394 1.74714 0.79152 0.93248 VAL_65 -4.44366 0.72053 2.41269 -0.38264 0.35631 0.09519 1.43118 -1.62166 -0 -0 0.2194 -0.27847 0 0 0 0 0 -0.23007 2e-05 0.64602 0 0.46946 0 1.9342 1.58308 0.39802 3.30959 SER_66 -3.44448 0.63789 3.90892 -0.02669 0.00143 0.02424 1.82433 -1.75548 -0 -0 -2.10316 -0.15934 0 0 0 -0.60014 0 -0.02606 0.00019 0.94288 0 -0.22884 0.70927 -0.77834 -0.15156 0.50433 -0.7206 SER_67 -4.8563 0.73091 4.92618 -0.02738 7e-05 0.04477 2.70521 -2.34071 -0.00152 -0.03292 -1.84255 -1.03093 0 0 0 0 0 0.02064 0.02266 0.48329 0 0.02393 0.62249 -0.77834 -0.10355 0.59527 -0.83879 LEU_68 -7.58571 1.61422 3.63583 -0.72872 0.4164 0.21461 2.78208 -2.42016 -0 -0 -2.32518 0.26651 0 0 0 0 0 0.30351 0.1207 2.93698 0 -0.28193 0 0.18072 1.48362 1.78716 2.40063 PRO_69 -6.22793 1.25688 4.6073 -0.0747 2e-05 0.04548 2.08064 -2.01507 -0.01969 -0.12908 -1.36761 0.58824 0 0 0 0 0 -0.21508 0.16113 0.37612 0 -0.68132 0 -2.4119 1.24268 1.77882 -1.00506 SER_70 -2.86598 0.31158 2.82056 -0.02767 0.00499 0.02613 1.25471 -1.41093 -0.00817 -0.14324 -1.22083 -0.13374 0 0 0 0 0 -0.05334 0.00087 0.68524 0 -0.25364 0.60789 -0.77834 -0.34054 0.39356 -1.13091 TYR_71 -7.33071 0.59634 4.57087 -0.65458 0.04541 0.37258 3.55054 -2.73112 -0.01976 -0.13504 -3.09735 -0.13359 0 0 0 0 0 -0.00675 0.02365 0 2.04172 -0.28212 0.0002 1.2797 -0.19596 0.40086 -1.70513 TRP_72 -10.3789 1.45757 5.96664 -1.14535 0.11607 0.32011 2.74557 -3.33217 -0.00031 -0.00419 -2.08777 -0.37186 0 0 0 0 0 -0.01189 0.58209 0 2.104 -0.4655 0 1.6906 0.62337 0.98615 -1.20581 SER_73 -3.9307 0.4061 3.59984 -0.02815 0.00042 0.04451 0.99831 -1.67587 -0 -0 -0.45451 -0.9525 0 0 0 -0.16549 0 0.12952 0.04984 0.19769 0 -0.31602 0.67626 -0.77834 0.16907 0.88696 -1.14306 TRP_74 -7.17942 0.80634 4.18594 -1.20399 0.06183 0.49345 2.91196 -2.60298 -0 -0 -2.21309 -0.40502 0 0 0 0 0 -0.01005 0.35921 0 2.52782 0.08336 0 1.6906 0.22771 0.44063 0.1743 LEU_75 -9.92579 1.17711 5.19573 -0.49425 0.28879 0.10612 2.2086 -3.28971 -0.0311 -0.16322 -0.25845 0.26535 0 0 0 0 0 0.08821 0.08779 0.27438 0 -0.29791 0 0.18072 0.37504 0.57142 -3.64116 ARG_76 -4.27783 0.35419 4.08477 -0.74615 0.18029 0.50916 1.14102 -1.85768 -0.02727 -0.22334 -1.15957 0.01321 0 0 0 0 0 -0.12199 0.04691 3.62095 0 -0.13209 0 -1.2888 -0.4248 0.58783 0.27883 LYS_77 -3.05458 0.25436 3.65886 -0.30328 0.04077 0.14918 1.52391 -1.61487 -0.01041 -0.03468 -0.87341 -0.14295 0 0 0 0 0 0.03303 0.02277 1.95742 0 -0.14016 0 -1.5107 -0.19828 0.35328 0.11027 THR_78 -5.96237 0.45374 5.10699 -0.23007 0.32523 0.11622 2.69218 -2.61784 -0 -0 -3.06612 -0.84877 0 0 0 -0.44661 0 0.37877 0.02172 1.18278 0 0.19954 2.31993 -1.0874 0.28149 0.51758 -0.66302 LYS_79 -6.372 0.45887 6.28278 -0.71891 0.29566 0.4317 3.18523 -2.71585 -0.03016 -0.10713 -4.42927 0.24473 0 0 -0.42505 -0.50654 0 -0.0503 0.02814 2.13542 0 -0.07352 0 -1.5107 0.05611 0.99061 -2.8302 LEU_80 -8.22341 1.27477 3.61294 -0.66379 0.24417 0.26554 2.45557 -2.45807 -0 -0 -1.82448 -0.09425 0 0 0 0 0 0.67487 0.25082 1.17897 0 -0.1806 0 0.18072 1.10533 2.32695 0.12606 PRO_81 -7.37047 1.22194 4.27663 -0.06902 0 0.04321 1.96018 -2.02744 -8e-05 -0.00026 -1.76075 0.6358 0 0 0 0 0 -0.08001 0.0133 0.1768 0 0.13892 0 -2.4119 1.33855 2.10836 -1.80624 GLU_82 -7.0693 0.52277 7.96487 -0.32531 0.05036 0.3278 3.52509 -3.56319 -0.0311 -0.16322 -4.44776 -0.57511 0 0 0 -0.50654 0 0.02249 0.1306 0 4.01506 -0.06044 0 -2.7348 -0.02057 0.53687 -2.40144 TYR_83 -9.04488 0.9188 5.96055 -0.63053 0.13826 0.2952 2.98788 -3.18591 -0.02047 -0.07624 -2.65401 -0.25486 0 0 0 0 0 0.08539 0.00724 0 2.52872 0.2064 0.0052 1.2797 -0.19957 0.31715 -1.33597 THR_84 -7.00756 0.34339 4.89492 -0.19807 0.08381 0.07067 2.67733 -2.80649 -0 -0 -2.09354 -0.09523 0 0 0 0 0 0.15719 0.02041 0.08312 0 0.03632 2.35639 -1.0874 -0.10656 0.38042 -2.29088 ARG_85 -10.5195 0.84164 6.80402 -0.66749 0.11651 0.43823 3.55391 -3.70143 -8e-05 -0.00026 -1.8922 0.35279 0 0 0 0 0 0.02105 0.09465 3.56514 0 -0.07007 0 -1.2888 -0.06644 0.52295 -1.89541 GLU_86 -6.94108 0.60585 7.58751 -0.32638 0.11608 0.35561 3.80908 -3.38155 -0.01086 -0.05624 -3.54644 -0.50913 0 0 0 -0.57819 0 -0.0221 0.16707 0 3.61136 -0.07465 0 -2.7348 -0.14818 0.66053 -1.41651 ALA_87 -5.32411 0.71969 2.39666 -0.02641 0.00092 0 1.4741 -1.87908 -0 -0 -2.28554 -0.41292 0 0 0 0 0 -0.11312 0 0 0 -0.13382 0 1.8394 -0.27631 0.60098 -3.41956 LEU_88 -9.06692 1.22348 2.49689 -0.54621 0.23659 0.17092 2.06907 -2.35383 -0 -0 -1.65426 0.07458 0 0 0 0 0 0.23437 0.23569 0.4537 0 0.20374 0 0.18072 -0.13246 1.23155 -4.94236 CYS:disulfide_89 -8.14789 1.68197 4.96046 -0.05283 0 0.03039 3.15982 -2.71021 -0 -0 -2.93599 -0.46265 0 0 0 0 0.58495 0.07896 0.04147 0.89432 0 0.30322 0 3.6196 5.95749 3.18609 10.1892 PRO_90 -7.3389 1.58406 4.16897 -0.06886 0 0.04278 1.72918 -1.64542 -0 -0 0.26582 0.58351 0 0 0 0 0 0.04761 0.00712 0.24145 0 0.33979 0 -2.4119 11.8624 3.45809 12.8657 PRO_91 -6.72883 1.57108 3.6563 -0.11724 0.00949 0.07221 1.67025 -1.56693 -0 -0 -1.14193 0.68487 0 0 0 0 0 0.20035 0.00329 0.12378 0 0.69878 0 -2.4119 6.34755 2.16176 5.23289 ALA_92 -3.95371 0.23914 1.60419 -0.02065 0 0 1.46563 -1.46211 -0.00503 -0.04838 -0.52551 -0.34246 0 0 0 0 0 -0.0178 0 0 0 0.24939 0 1.8394 0.56744 1.07549 0.66504 CYS_93 -5.83758 0.51903 3.20929 -0.04622 0 0.01346 1.83389 -1.72743 -0.00503 -0.04838 -0.50545 0.20313 0 0 0 0 0 -0.02867 0.08557 0.36524 0 0.1832 0 3.6196 0.30365 0.75983 2.89711 ARG_94 -3.59599 0.31312 3.36837 -0.53117 0.07574 0.28409 2.09908 -1.62017 -0 -0 -1.42602 0.63878 0 0 -0.68251 0 0 -0.10253 0.03354 2.48665 0 -0.18414 0 -1.2888 -0.16509 0.47576 0.17873 GLY_95 -3.64601 0.57346 3.08628 -0.00142 0 0 1.1432 -1.69397 -0 -0 0.83023 -0.3431 0 0 0 0 0 -0.08154 0 0 0 -1.46783 0 0.83697 0.16163 0.36128 -0.24083 SER_96 -4.52075 0.2783 4.22404 -0.03107 2e-05 0.05232 1.65043 -1.98753 -0.00889 -0.12838 -0.39602 -0.96599 0 0 0 0 0 -0.00263 0.06937 0.16125 0 -0.25105 0.65098 -0.77834 0.0849 0.31727 -1.58177 THR_97 -3.62204 0.28355 3.56289 -0.15095 0.053 0.05374 1.89936 -1.76969 -0 -0 -1.62347 -0.41962 0 0 -1.15014 0 0 -2e-05 0.02883 0.28978 0 -0.0817 2.31909 -1.0874 -0.24 0.42294 -1.23183 THR_98 -5.10866 0.75225 1.35757 -0.18901 0.13324 0.06416 0.91472 -1.26921 -0.00736 -0.11915 -0.43945 -0.90557 0 0 -0.12676 0 0 -0.03408 0.03515 0.51993 0 -0.59864 2.3548 -1.0874 0.37206 0.36439 -3.017 LEU_99 -4.69039 0.49374 1.31541 -0.53219 0.24324 0.11756 0.54508 -1.30311 -0.01365 -0.05081 -0.84098 0.22212 0 0 -0.12676 0 0 0.00223 0.11278 0.51271 0 -0.06172 0 0.18072 0.81674 0.31693 -2.74037 TYR_100 -10.2074 1.50287 4.09573 -0.67672 0.09913 0.39937 3.25485 -2.84704 -0.00821 -0.12477 -1.94893 -0.12861 0 0 0 0 0 -0.01875 0.33998 0 2.10126 -0.01613 0.0002 1.2797 0.45511 0.49653 -1.95179 ASN_101 -4.75282 0.53746 4.01059 -0.29955 0.15815 0.47737 1.53678 -2.17085 -0.01365 -0.05081 -0.80081 -0.80682 0 0 -0.36937 0 0 -0.05658 0.09827 0 2.24869 -0.15076 0 -0.93687 -0.07501 0.72859 -0.68801 CYS:disulfide_102 -7.80261 1.46646 5.43069 -0.07175 0.00567 0.05794 3.16101 -2.88456 -0.00054 -0.00142 -3.32477 -0.3796 0 0 0 0 -0.1373 -0.02026 0.02271 0.33698 0 -0.01358 0 3.6196 -0.16664 0.98363 0.28166 SER_103 -2.88002 0.10688 2.98505 -0.03084 0.00016 0.0522 1.60842 -1.43845 -0.01674 -0.28998 -0.35147 -0.97914 0 0 0 0 0 -0.07188 0.0628 0.16905 0 -0.25282 0.68893 -0.77834 -0.51651 0.53825 -1.39447 THR_104 -3.0334 0.31111 2.54615 -0.13268 0.0764 0.08365 1.07575 -1.26795 -0.02826 -0.27582 -0.51142 -0.86192 0 0 0 -0.16549 0 0.0044 0.01364 0.06104 0 -0.50957 2.31509 -1.0874 -0.49949 0.28922 -1.59695 CYS:disulfide_105 -4.09085 0.97697 2.87451 -0.03795 0 0.01414 1.2857 -1.447 -0 -0 0.02129 -0.22148 0 0 0 0 -0.1373 -0.02428 1.25289 0.18256 0 -0.09435 0 3.6196 0.51697 0.78461 5.47603 LYS_106 -2.67056 0.23566 2.98066 -0.31791 0.05228 0.19167 1.41308 -1.41045 -0 -0 -1.60209 -0.37246 0 0 -0.36937 0 0 0.10238 0.01563 1.4442 0 0.38267 0 -1.5107 1.00109 0.75773 0.32351 GLY_107 -2.82746 0.26685 3.38503 -0.00052 0 0 1.61697 -1.69464 -0 -0 -1.26353 -0.20356 0 0 0 0 0 -0.11536 0 0 0 -0.41876 0 0.83697 0.48717 0.4063 0.47545 THR_108 -4.09699 0.63305 1.35221 -0.12653 0.05422 0.09377 0.48643 -1.14459 -0 -0 -0.44084 -0.74321 0 0 0 0 0 0.1531 0.00011 0.13783 0 -0.36536 2.36939 -1.0874 -0.06769 0.6364 -2.15611 GLU_109 -4.59915 0.51576 4.92407 -0.45886 0.08271 0.71306 3.00157 -2.30736 -0.01369 -0.10741 -3.14004 -1.48531 0 0 -1.09391 0 0 0.00043 0.05454 0 4.18743 0.14662 0 -2.7348 -0.05599 0.80493 -1.5654 VAL_110 -5.88155 0.68886 2.29402 -0.38718 0.36767 0.09572 2.2092 -1.90384 -0 -0 -0.45198 -0.26727 0 0 -1.09391 0 0 -0.05253 0.0082 1.26394 0 -0.68256 0 1.9342 -0.03933 0.52494 -1.37341 SER_111 -3.45454 0.18794 2.65487 -0.03162 0.00022 0.0548 1.08845 -1.35002 -0.01693 -0.07495 0.49027 -1.06996 0 0 0 0 0 0.0069 0.0343 0.30045 0 -0.25387 0.62474 -0.77834 -0.53121 0.28558 -1.83292 CYS:disulfide_112 -6.11857 0.68483 2.72605 -0.04196 0.00101 0.01738 1.60442 -1.64131 -0 -0 0.00885 -0.26559 0 0 0 0 0.58495 -0.03458 0.07738 0.25453 0 0.0939 0 3.6196 -0.4007 0.81335 1.98357 TRP_113 -4.55715 0.6208 3.92598 -0.99475 0.04839 0.22494 1.12833 -1.66464 -0.00196 -0.00807 -0.65063 -0.67692 0 0 0 0 0 -0.07464 0.05695 0 2.17036 -0.00898 0 1.6906 -0.30361 1.55877 2.48377 PRO_114 -3.9455 0.50069 2.17523 -0.11957 0.00414 0.08794 0.84832 -1.05256 -0 -0 -0.34459 0.23847 0 0 0 0 0 -0.10801 0.02488 0.1177 0 -0.96141 0 -2.4119 -0.5768 1.30498 -4.21799 ARG_115 -2.60904 0.09281 2.62156 -0.47337 0.08401 0.29856 0.96054 -1.16594 -0 -0 -0.73917 -0.08178 0 0 -0.46763 0 0 -0.01035 0.00454 1.63916 0 -0.18441 0 -1.2888 -0.27788 0.31251 -1.28466 LYS_116 -4.68234 0.39846 4.59053 -0.43671 0.06961 0.21936 1.17887 -1.90912 -0.04149 -0.1436 -0.68556 0.42788 0 0 0 0 0 0.10507 0.01876 2.33639 0 -0.12147 0 -1.5107 0.38961 0.32068 0.52423 ARG_117 -5.2859 0.30376 3.8147 -0.77395 0.12625 0.61567 0.67014 -1.52781 -0.039 -0.13407 -0.72507 0.29998 0 0 0 0 0 -0.00198 0.36962 3.55906 0 -0.02041 0 -1.2888 0.23439 0.38967 0.58624 CYS_118 -4.90958 0.60335 1.93606 -0.07392 0.00233 0.04636 0.63696 -0.87453 -0.00053 -0.00145 -0.51945 -0.39003 0 0 0 0 0 -0.02016 0.02953 0.50194 0 0.25844 0 3.6196 -0.29586 0.53487 1.08393 PHE_119 -6.91119 0.90642 2.40949 -0.65042 0.03585 0.02405 1.66833 -1.62724 -0 -0 -0.15836 -0.4878 0 0 0 0 0 -0.04247 0.51703 0 1.87667 -0.2449 0 1.0402 0.47579 1.09037 -0.07817 PRO_120 -2.31489 0.52818 1.57608 -0.12377 0.00575 0.09108 0.8234 -0.76987 -0 -0 -0.68742 0.22685 0 0 0 0 0 -0.10657 0.02695 0.11107 0 -0.93249 0 -2.4119 0.37279 0.94439 -2.64037 GLY_121 -1.75594 0.13257 1.26958 -0.00014 0 0 0.36767 -0.76805 -0 -0 -0.18962 -0.33574 0 0 0 0 0 -0.02377 0 0 0 -1.50774 0 0.83697 0.47936 0.24526 -1.24958 SER:CtermProteinFull_122 -5.19845 0.32663 5.58061 -0.04549 0 0.10765 2.5581 -2.26691 -0 -0 -4.82125 0.96981 0 0 -0.68051 0 0 0 0.06375 0.67255 0 0 1.80786 -0.77834 0.79327 0.41337 -0.49736 #END_POSE_ENERGIES_TABLE model04_0001.pdb If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand. |