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*** Robetta06 ***elNémo ID: 20122820013565983Job options:ID = 20122820013565983 JOBID = Robetta06 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 Robetta06 REMARK Rerank model02.pdb to model06.pdb score: 63.949 ATOM 1 N CYS A 1 30.674 5.157 -7.329 1.00 11.730 N ATOM 2 CA CYS A 1 29.319 5.405 -6.851 1.00 10.970 C ATOM 3 C CYS A 1 28.418 4.173 -6.864 1.00 10.090 C ATOM 4 O CYS A 1 27.463 4.103 -6.087 1.00 9.830 O ATOM 5 CB CYS A 1 28.652 6.468 -7.714 1.00 15.660 C ATOM 6 SG CYS A 1 28.347 5.921 -9.414 1.00 15.660 S ATOM 7 1H CYS A 1 31.293 5.849 -6.929 1.00 14.080 H ATOM 8 2H CYS A 1 30.987 4.238 -7.051 1.00 14.080 H ATOM 9 3H CYS A 1 30.701 5.237 -8.335 1.00 14.080 H ATOM 10 HA CYS A 1 29.383 5.774 -5.827 1.00 13.160 H ATOM 11 1HB CYS A 1 27.700 6.745 -7.270 1.00 18.790 H ATOM 12 2HB CYS A 1 29.273 7.361 -7.748 1.00 18.790 H ATOM 13 HG CYS A 1 27.647 6.996 -9.778 1.00 18.790 H ATOM 14 N VAL A 2 28.761 3.171 -7.673 1.00 9.790 N ATOM 15 CA VAL A 2 27.947 1.959 -7.804 1.00 9.060 C ATOM 16 C VAL A 2 27.792 1.225 -6.476 1.00 8.110 C ATOM 17 O VAL A 2 26.709 0.723 -6.150 1.00 7.930 O ATOM 18 CB VAL A 2 28.561 1.034 -8.873 1.00 12.980 C ATOM 19 CG1 VAL A 2 27.857 -0.317 -8.891 1.00 12.980 C ATOM 20 CG2 VAL A 2 28.433 1.713 -10.236 1.00 12.980 C ATOM 21 H VAL A 2 29.568 3.263 -8.271 1.00 11.750 H ATOM 22 HA VAL A 2 26.958 2.256 -8.151 1.00 10.870 H ATOM 23 HB VAL A 2 29.611 0.859 -8.642 1.00 15.570 H ATOM 24 1HG1 VAL A 2 28.307 -0.950 -9.655 1.00 15.570 H ATOM 25 2HG1 VAL A 2 27.947 -0.813 -7.927 1.00 15.570 H ATOM 26 3HG1 VAL A 2 26.809 -0.164 -9.122 1.00 15.570 H ATOM 27 1HG2 VAL A 2 28.871 1.076 -11.005 1.00 15.570 H ATOM 28 2HG2 VAL A 2 27.379 1.878 -10.460 1.00 15.570 H ATOM 29 3HG2 VAL A 2 28.949 2.668 -10.228 1.00 15.570 H ATOM 30 N PHE A 3 28.874 1.145 -5.707 1.00 7.670 N ATOM 31 CA PHE A 3 28.852 0.473 -4.417 1.00 6.990 C ATOM 32 C PHE A 3 27.720 0.968 -3.522 1.00 6.320 C ATOM 33 O PHE A 3 27.004 0.160 -2.942 1.00 6.360 O ATOM 34 CB PHE A 3 30.182 0.652 -3.688 1.00 10.060 C ATOM 35 CG PHE A 3 30.154 0.108 -2.302 1.00 10.060 C ATOM 36 CD1 PHE A 3 30.268 -1.248 -2.063 1.00 10.060 C ATOM 37 CD2 PHE A 3 30.001 0.964 -1.225 1.00 10.060 C ATOM 38 CE1 PHE A 3 30.223 -1.733 -0.776 1.00 10.060 C ATOM 39 CE2 PHE A 3 29.953 0.488 0.055 1.00 10.060 C ATOM 40 CZ PHE A 3 30.061 -0.866 0.283 1.00 10.060 C ATOM 41 H PHE A 3 29.733 1.555 -6.033 1.00 9.200 H ATOM 42 HA PHE A 3 28.695 -0.593 -4.594 1.00 8.390 H ATOM 43 1HB PHE A 3 30.975 0.151 -4.239 1.00 12.070 H ATOM 44 2HB PHE A 3 30.433 1.708 -3.635 1.00 12.070 H ATOM 45 HD1 PHE A 3 30.390 -1.932 -2.902 1.00 12.070 H ATOM 46 HD2 PHE A 3 29.914 2.029 -1.406 1.00 12.070 H ATOM 47 HE1 PHE A 3 30.307 -2.805 -0.597 1.00 12.070 H ATOM 48 HE2 PHE A 3 29.826 1.177 0.889 1.00 12.070 H ATOM 49 HZ PHE A 3 30.022 -1.251 1.300 1.00 12.070 H ATOM 50 N CYS A 4 27.582 2.286 -3.371 1.00 5.970 N ATOM 51 CA CYS A 4 26.515 2.839 -2.544 1.00 5.580 C ATOM 52 C CYS A 4 25.152 2.880 -3.251 1.00 4.940 C ATOM 53 O CYS A 4 24.103 2.728 -2.605 1.00 4.890 O ATOM 54 CB CYS A 4 26.882 4.246 -2.091 1.00 7.970 C ATOM 55 SG CYS A 4 28.214 4.286 -0.889 1.00 7.970 S ATOM 56 H CYS A 4 28.206 2.908 -3.863 1.00 7.160 H ATOM 57 HA CYS A 4 26.420 2.211 -1.657 1.00 6.700 H ATOM 58 1HB CYS A 4 27.192 4.825 -2.962 1.00 9.560 H ATOM 59 2HB CYS A 4 26.016 4.737 -1.660 1.00 9.560 H ATOM 60 HG CYS A 4 27.459 3.800 0.114 1.00 9.560 H ATOM 61 N ARG A 5 25.151 3.103 -4.567 1.00 4.700 N ATOM 62 CA ARG A 5 23.890 3.208 -5.279 1.00 4.360 C ATOM 63 C ARG A 5 23.123 1.903 -5.396 1.00 3.360 C ATOM 64 O ARG A 5 21.913 1.890 -5.175 1.00 3.400 O ATOM 65 CB ARG A 5 24.090 3.786 -6.671 1.00 6.240 C ATOM 66 CG ARG A 5 24.428 5.263 -6.712 1.00 6.240 C ATOM 67 CD ARG A 5 24.650 5.734 -8.092 1.00 6.240 C ATOM 68 NE ARG A 5 24.978 7.155 -8.126 1.00 6.240 N ATOM 69 CZ ARG A 5 25.254 7.871 -9.238 1.00 6.240 C ATOM 70 NH1 ARG A 5 25.235 7.304 -10.428 1.00 6.240 N ATOM 71 NH2 ARG A 5 25.547 9.156 -9.125 1.00 6.240 N ATOM 72 H ARG A 5 26.031 3.242 -5.073 1.00 5.640 H ATOM 73 HA ARG A 5 23.266 3.912 -4.732 1.00 5.230 H ATOM 74 1HB ARG A 5 24.901 3.250 -7.161 1.00 7.490 H ATOM 75 2HB ARG A 5 23.197 3.635 -7.260 1.00 7.490 H ATOM 76 1HG ARG A 5 23.598 5.830 -6.291 1.00 7.490 H ATOM 77 2HG ARG A 5 25.326 5.456 -6.129 1.00 7.490 H ATOM 78 1HD ARG A 5 25.478 5.174 -8.525 1.00 7.490 H ATOM 79 2HD ARG A 5 23.745 5.570 -8.678 1.00 7.490 H ATOM 80 HE ARG A 5 25.003 7.643 -7.239 1.00 7.490 H ATOM 81 1HH1 ARG A 5 25.009 6.325 -10.522 1.00 7.490 H ATOM 82 2HH1 ARG A 5 25.440 7.850 -11.255 1.00 7.490 H ATOM 83 1HH2 ARG A 5 25.562 9.594 -8.213 1.00 7.490 H ATOM 84 2HH2 ARG A 5 25.755 9.705 -9.947 1.00 7.490 H ATOM 85 N LEU A 6 23.770 0.778 -5.689 1.00 3.010 N ATOM 86 CA LEU A 6 22.933 -0.399 -5.858 1.00 2.510 C ATOM 87 C LEU A 6 22.152 -0.755 -4.574 1.00 1.800 C ATOM 88 O LEU A 6 20.964 -1.087 -4.685 1.00 2.190 O ATOM 89 CB LEU A 6 23.756 -1.575 -6.418 1.00 3.710 C ATOM 90 CG LEU A 6 24.230 -1.436 -7.887 1.00 3.710 C ATOM 91 CD1 LEU A 6 25.208 -2.561 -8.176 1.00 3.710 C ATOM 92 CD2 LEU A 6 23.045 -1.498 -8.870 1.00 3.710 C ATOM 93 H LEU A 6 24.787 0.767 -5.836 1.00 3.610 H ATOM 94 HA LEU A 6 22.183 -0.154 -6.599 1.00 3.010 H ATOM 95 1HB LEU A 6 24.664 -1.681 -5.864 1.00 4.460 H ATOM 96 2HB LEU A 6 23.178 -2.497 -6.330 1.00 4.460 H ATOM 97 HG LEU A 6 24.748 -0.487 -8.007 1.00 4.460 H ATOM 98 1HD1 LEU A 6 25.575 -2.472 -9.199 1.00 4.460 H ATOM 99 2HD1 LEU A 6 26.050 -2.497 -7.483 1.00 4.460 H ATOM 100 3HD1 LEU A 6 24.710 -3.520 -8.054 1.00 4.460 H ATOM 101 1HD2 LEU A 6 23.425 -1.409 -9.888 1.00 4.460 H ATOM 102 2HD2 LEU A 6 22.530 -2.452 -8.758 1.00 4.460 H ATOM 103 3HD2 LEU A 6 22.344 -0.692 -8.693 1.00 4.460 H ATOM 104 N PRO A 7 22.753 -0.746 -3.354 1.00 1.440 N ATOM 105 CA PRO A 7 22.064 -0.882 -2.089 1.00 1.770 C ATOM 106 C PRO A 7 20.913 0.098 -1.990 1.00 1.480 C ATOM 107 O PRO A 7 19.799 -0.303 -1.669 1.00 1.810 O ATOM 108 CB PRO A 7 23.167 -0.599 -1.071 1.00 2.660 C ATOM 109 CG PRO A 7 24.389 -1.096 -1.738 1.00 2.660 C ATOM 110 CD PRO A 7 24.215 -0.704 -3.188 1.00 2.660 C ATOM 111 HA PRO A 7 21.697 -1.914 -1.994 1.00 2.120 H ATOM 112 1HB PRO A 7 23.226 0.480 -0.867 1.00 3.190 H ATOM 113 2HB PRO A 7 22.959 -1.097 -0.124 1.00 3.190 H ATOM 114 1HG PRO A 7 25.284 -0.625 -1.288 1.00 3.190 H ATOM 115 2HG PRO A 7 24.493 -2.179 -1.597 1.00 3.190 H ATOM 116 1HD PRO A 7 24.601 0.276 -3.321 1.00 3.190 H ATOM 117 2HD PRO A 7 24.732 -1.435 -3.777 1.00 3.190 H ATOM 118 N ALA A 8 21.190 1.394 -2.244 1.00 1.110 N ATOM 119 CA ALA A 8 20.166 2.433 -2.159 1.00 1.000 C ATOM 120 C ALA A 8 18.972 2.156 -3.066 1.00 1.020 C ATOM 121 O ALA A 8 17.821 2.389 -2.675 1.00 0.980 O ATOM 122 CB ALA A 8 20.768 3.775 -2.522 1.00 1.440 C ATOM 123 H ALA A 8 22.140 1.699 -2.489 1.00 1.330 H ATOM 124 HA ALA A 8 19.811 2.471 -1.133 1.00 1.200 H ATOM 125 1HB ALA A 8 20.013 4.552 -2.420 1.00 1.730 H ATOM 126 2HB ALA A 8 21.602 3.985 -1.855 1.00 1.730 H ATOM 127 3HB ALA A 8 21.122 3.744 -3.547 1.00 1.730 H ATOM 128 N HIS A 9 19.228 1.678 -4.283 1.00 1.180 N ATOM 129 CA HIS A 9 18.145 1.425 -5.220 1.00 1.340 C ATOM 130 C HIS A 9 17.299 0.239 -4.777 1.00 1.260 C ATOM 131 O HIS A 9 16.060 0.309 -4.790 1.00 1.280 O ATOM 132 CB HIS A 9 18.689 1.136 -6.628 1.00 1.810 C ATOM 133 CG HIS A 9 19.311 2.317 -7.329 1.00 1.810 C ATOM 134 ND1 HIS A 9 18.619 3.479 -7.590 1.00 1.810 N ATOM 135 CD2 HIS A 9 20.550 2.492 -7.844 1.00 1.810 C ATOM 136 CE1 HIS A 9 19.414 4.327 -8.222 1.00 1.810 C ATOM 137 NE2 HIS A 9 20.589 3.752 -8.392 1.00 1.810 N ATOM 138 H HIS A 9 20.205 1.554 -4.568 1.00 1.420 H ATOM 139 HA HIS A 9 17.501 2.300 -5.273 1.00 1.610 H ATOM 140 1HB HIS A 9 19.451 0.355 -6.557 1.00 2.170 H ATOM 141 2HB HIS A 9 17.887 0.751 -7.253 1.00 2.170 H ATOM 142 HD1 HIS A 9 17.629 3.598 -7.522 1.00 2.170 H ATOM 143 HD2 HIS A 9 21.428 1.852 -7.889 1.00 2.170 H ATOM 144 HE1 HIS A 9 19.052 5.313 -8.516 1.00 2.170 H ATOM 145 N ASP A 10 17.960 -0.835 -4.328 1.00 1.220 N ATOM 146 CA ASP A 10 17.243 -2.024 -3.889 1.00 1.270 C ATOM 147 C ASP A 10 16.428 -1.695 -2.649 1.00 1.010 C ATOM 148 O ASP A 10 15.262 -2.092 -2.532 1.00 1.030 O ATOM 149 CB ASP A 10 18.234 -3.159 -3.603 1.00 1.760 C ATOM 150 CG ASP A 10 17.573 -4.515 -3.309 1.00 1.760 C ATOM 151 OD1 ASP A 10 16.898 -5.022 -4.170 1.00 1.760 O ATOM 152 OD2 ASP A 10 17.770 -5.044 -2.219 1.00 1.760 O ATOM 153 H ASP A 10 18.985 -0.835 -4.346 1.00 1.460 H ATOM 154 HA ASP A 10 16.565 -2.338 -4.682 1.00 1.520 H ATOM 155 1HB ASP A 10 18.898 -3.272 -4.463 1.00 2.110 H ATOM 156 2HB ASP A 10 18.861 -2.874 -2.760 1.00 2.110 H ATOM 157 N LEU A 11 17.036 -0.912 -1.758 1.00 0.830 N ATOM 158 CA LEU A 11 16.452 -0.482 -0.514 1.00 0.670 C ATOM 159 C LEU A 11 15.227 0.372 -0.736 1.00 0.640 C ATOM 160 O LEU A 11 14.200 0.118 -0.108 1.00 0.640 O ATOM 161 CB LEU A 11 17.512 0.287 0.263 1.00 1.000 C ATOM 162 CG LEU A 11 17.151 0.893 1.591 1.00 1.000 C ATOM 163 CD1 LEU A 11 16.710 -0.173 2.565 1.00 1.000 C ATOM 164 CD2 LEU A 11 18.380 1.633 2.090 1.00 1.000 C ATOM 165 H LEU A 11 18.002 -0.631 -1.931 1.00 1.000 H ATOM 166 HA LEU A 11 16.164 -1.371 0.039 1.00 0.800 H ATOM 167 1HB LEU A 11 18.352 -0.381 0.424 1.00 1.200 H ATOM 168 2HB LEU A 11 17.854 1.098 -0.371 1.00 1.200 H ATOM 169 HG LEU A 11 16.336 1.594 1.468 1.00 1.200 H ATOM 170 1HD1 LEU A 11 16.467 0.304 3.506 1.00 1.200 H ATOM 171 2HD1 LEU A 11 15.827 -0.678 2.190 1.00 1.200 H ATOM 172 3HD1 LEU A 11 17.504 -0.892 2.703 1.00 1.200 H ATOM 173 1HD2 LEU A 11 18.180 2.107 3.033 1.00 1.200 H ATOM 174 2HD2 LEU A 11 19.189 0.949 2.204 1.00 1.200 H ATOM 175 3HD2 LEU A 11 18.666 2.402 1.370 1.00 1.200 H ATOM 176 N SER A 12 15.303 1.346 -1.653 1.00 0.730 N ATOM 177 CA SER A 12 14.170 2.212 -1.939 1.00 0.830 C ATOM 178 C SER A 12 12.990 1.367 -2.376 1.00 0.880 C ATOM 179 O SER A 12 11.862 1.558 -1.905 1.00 0.890 O ATOM 180 CB SER A 12 14.521 3.183 -3.049 1.00 1.120 C ATOM 181 OG SER A 12 13.446 4.034 -3.335 1.00 1.120 O ATOM 182 H SER A 12 16.188 1.537 -2.129 1.00 0.880 H ATOM 183 HA SER A 12 13.907 2.762 -1.035 1.00 1.000 H ATOM 184 1HB SER A 12 15.390 3.762 -2.768 1.00 1.350 H ATOM 185 2HB SER A 12 14.792 2.620 -3.943 1.00 1.350 H ATOM 186 HG SER A 12 13.755 4.619 -4.028 1.00 1.350 H ATOM 187 N GLY A 13 13.250 0.413 -3.278 1.00 0.960 N ATOM 188 CA GLY A 13 12.220 -0.478 -3.776 1.00 1.050 C ATOM 189 C GLY A 13 11.568 -1.261 -2.643 1.00 0.950 C ATOM 190 O GLY A 13 10.338 -1.266 -2.501 1.00 0.970 O ATOM 191 H GLY A 13 14.203 0.324 -3.652 1.00 1.150 H ATOM 192 1HA GLY A 13 11.466 0.100 -4.308 1.00 1.260 H ATOM 193 2HA GLY A 13 12.667 -1.169 -4.490 1.00 1.260 H ATOM 194 N ARG A 14 12.388 -1.944 -1.842 1.00 0.890 N ATOM 195 CA ARG A 14 11.869 -2.751 -0.749 1.00 0.850 C ATOM 196 C ARG A 14 11.100 -1.937 0.280 1.00 0.760 C ATOM 197 O ARG A 14 10.027 -2.359 0.722 1.00 0.800 O ATOM 198 CB ARG A 14 13.010 -3.468 -0.055 1.00 1.210 C ATOM 199 CG ARG A 14 13.630 -4.588 -0.861 1.00 1.210 C ATOM 200 CD ARG A 14 14.739 -5.197 -0.141 1.00 1.210 C ATOM 201 NE ARG A 14 15.410 -6.238 -0.920 1.00 1.210 N ATOM 202 CZ ARG A 14 15.030 -7.539 -0.992 1.00 1.210 C ATOM 203 NH1 ARG A 14 13.976 -7.978 -0.321 1.00 1.210 N ATOM 204 NH2 ARG A 14 15.717 -8.383 -1.745 1.00 1.210 N ATOM 205 H ARG A 14 13.401 -1.895 -2.009 1.00 1.070 H ATOM 206 HA ARG A 14 11.196 -3.494 -1.170 1.00 1.020 H ATOM 207 1HB ARG A 14 13.800 -2.748 0.169 1.00 1.450 H ATOM 208 2HB ARG A 14 12.662 -3.881 0.891 1.00 1.450 H ATOM 209 1HG ARG A 14 12.882 -5.350 -1.058 1.00 1.450 H ATOM 210 2HG ARG A 14 14.010 -4.202 -1.806 1.00 1.450 H ATOM 211 1HD ARG A 14 15.475 -4.420 0.081 1.00 1.450 H ATOM 212 2HD ARG A 14 14.371 -5.628 0.781 1.00 1.450 H ATOM 213 HE ARG A 14 16.248 -5.945 -1.468 1.00 1.450 H ATOM 214 1HH1 ARG A 14 13.442 -7.350 0.257 1.00 1.450 H ATOM 215 2HH1 ARG A 14 13.706 -8.951 -0.384 1.00 1.450 H ATOM 216 1HH2 ARG A 14 16.527 -8.062 -2.272 1.00 1.450 H ATOM 217 2HH2 ARG A 14 15.441 -9.347 -1.806 1.00 1.450 H ATOM 218 N LEU A 15 11.614 -0.765 0.655 1.00 0.690 N ATOM 219 CA LEU A 15 10.921 0.048 1.629 1.00 0.660 C ATOM 220 C LEU A 15 9.586 0.518 1.093 1.00 0.720 C ATOM 221 O LEU A 15 8.595 0.483 1.822 1.00 0.730 O ATOM 222 CB LEU A 15 11.767 1.262 2.005 1.00 0.940 C ATOM 223 CG LEU A 15 13.033 1.037 2.863 1.00 0.940 C ATOM 224 CD1 LEU A 15 13.866 2.287 2.843 1.00 0.940 C ATOM 225 CD2 LEU A 15 12.646 0.752 4.294 1.00 0.940 C ATOM 226 H LEU A 15 12.507 -0.446 0.273 1.00 0.830 H ATOM 227 HA LEU A 15 10.735 -0.559 2.511 1.00 0.790 H ATOM 228 1HB LEU A 15 12.079 1.759 1.079 1.00 1.120 H ATOM 229 2HB LEU A 15 11.130 1.921 2.549 1.00 1.120 H ATOM 230 HG LEU A 15 13.613 0.217 2.458 1.00 1.120 H ATOM 231 1HD1 LEU A 15 14.764 2.149 3.441 1.00 1.120 H ATOM 232 2HD1 LEU A 15 14.140 2.482 1.812 1.00 1.120 H ATOM 233 3HD1 LEU A 15 13.301 3.127 3.238 1.00 1.120 H ATOM 234 1HD2 LEU A 15 13.549 0.623 4.886 1.00 1.120 H ATOM 235 2HD2 LEU A 15 12.074 1.592 4.691 1.00 1.120 H ATOM 236 3HD2 LEU A 15 12.047 -0.155 4.354 1.00 1.120 H ATOM 237 N ALA A 16 9.537 0.942 -0.176 1.00 0.800 N ATOM 238 CA ALA A 16 8.283 1.404 -0.744 1.00 0.900 C ATOM 239 C ALA A 16 7.236 0.293 -0.777 1.00 0.910 C ATOM 240 O ALA A 16 6.061 0.533 -0.458 1.00 0.940 O ATOM 241 CB ALA A 16 8.526 1.926 -2.144 1.00 1.220 C ATOM 242 H ALA A 16 10.388 0.988 -0.749 1.00 0.960 H ATOM 243 HA ALA A 16 7.906 2.211 -0.120 1.00 1.080 H ATOM 244 1HB ALA A 16 7.595 2.298 -2.563 1.00 1.460 H ATOM 245 2HB ALA A 16 9.262 2.731 -2.105 1.00 1.460 H ATOM 246 3HB ALA A 16 8.912 1.115 -2.765 1.00 1.460 H ATOM 247 N ARG A 17 7.651 -0.931 -1.131 1.00 0.910 N ATOM 248 CA ARG A 17 6.714 -2.046 -1.171 1.00 0.970 C ATOM 249 C ARG A 17 6.200 -2.380 0.222 1.00 0.900 C ATOM 250 O ARG A 17 4.998 -2.614 0.405 1.00 0.950 O ATOM 251 CB ARG A 17 7.344 -3.269 -1.821 1.00 1.330 C ATOM 252 CG ARG A 17 7.536 -3.130 -3.338 1.00 1.330 C ATOM 253 CD ARG A 17 7.865 -4.422 -4.018 1.00 1.330 C ATOM 254 NE ARG A 17 9.149 -4.982 -3.589 1.00 1.330 N ATOM 255 CZ ARG A 17 10.360 -4.670 -4.111 1.00 1.330 C ATOM 256 NH1 ARG A 17 10.475 -3.773 -5.071 1.00 1.330 N ATOM 257 NH2 ARG A 17 11.437 -5.275 -3.648 1.00 1.330 N ATOM 258 H ARG A 17 8.627 -1.071 -1.426 1.00 1.090 H ATOM 259 HA ARG A 17 5.864 -1.750 -1.783 1.00 1.160 H ATOM 260 1HB ARG A 17 8.329 -3.440 -1.379 1.00 1.600 H ATOM 261 2HB ARG A 17 6.734 -4.150 -1.625 1.00 1.600 H ATOM 262 1HG ARG A 17 6.615 -2.746 -3.776 1.00 1.600 H ATOM 263 2HG ARG A 17 8.339 -2.426 -3.529 1.00 1.600 H ATOM 264 1HD ARG A 17 7.088 -5.150 -3.782 1.00 1.600 H ATOM 265 2HD ARG A 17 7.890 -4.274 -5.095 1.00 1.600 H ATOM 266 HE ARG A 17 9.126 -5.681 -2.858 1.00 1.600 H ATOM 267 1HH1 ARG A 17 9.657 -3.305 -5.429 1.00 1.600 H ATOM 268 2HH1 ARG A 17 11.384 -3.552 -5.449 1.00 1.600 H ATOM 269 1HH2 ARG A 17 11.349 -5.968 -2.919 1.00 1.600 H ATOM 270 2HH2 ARG A 17 12.349 -5.047 -4.023 1.00 1.600 H ATOM 271 N LEU A 18 7.097 -2.376 1.211 1.00 0.810 N ATOM 272 CA LEU A 18 6.697 -2.667 2.571 1.00 0.780 C ATOM 273 C LEU A 18 5.760 -1.573 3.094 1.00 0.750 C ATOM 274 O LEU A 18 4.830 -1.873 3.847 1.00 0.780 O ATOM 275 CB LEU A 18 7.934 -2.839 3.462 1.00 1.100 C ATOM 276 CG LEU A 18 8.847 -4.118 3.196 1.00 1.100 C ATOM 277 CD1 LEU A 18 10.164 -4.012 4.005 1.00 1.100 C ATOM 278 CD2 LEU A 18 8.112 -5.386 3.613 1.00 1.100 C ATOM 279 H LEU A 18 8.086 -2.203 1.006 1.00 0.970 H ATOM 280 HA LEU A 18 6.139 -3.598 2.569 1.00 0.940 H ATOM 281 1HB LEU A 18 8.555 -1.949 3.367 1.00 1.320 H ATOM 282 2HB LEU A 18 7.575 -2.925 4.465 1.00 1.320 H ATOM 283 HG LEU A 18 9.093 -4.169 2.139 1.00 1.320 H ATOM 284 1HD1 LEU A 18 10.787 -4.886 3.806 1.00 1.320 H ATOM 285 2HD1 LEU A 18 10.709 -3.112 3.713 1.00 1.320 H ATOM 286 3HD1 LEU A 18 9.941 -3.978 5.065 1.00 1.320 H ATOM 287 1HD2 LEU A 18 8.752 -6.248 3.425 1.00 1.320 H ATOM 288 2HD2 LEU A 18 7.870 -5.340 4.677 1.00 1.320 H ATOM 289 3HD2 LEU A 18 7.202 -5.495 3.043 1.00 1.320 H ATOM 290 N CYS A 19 5.994 -0.306 2.698 1.00 0.730 N ATOM 291 CA CYS A 19 5.134 0.799 3.121 1.00 0.760 C ATOM 292 C CYS A 19 3.724 0.615 2.593 1.00 0.780 C ATOM 293 O CYS A 19 2.757 0.830 3.333 1.00 0.780 O ATOM 294 CB CYS A 19 5.675 2.140 2.636 1.00 1.050 C ATOM 295 SG CYS A 19 7.182 2.645 3.456 1.00 1.050 S ATOM 296 H CYS A 19 6.820 -0.114 2.127 1.00 0.880 H ATOM 297 HA CYS A 19 5.088 0.822 4.195 1.00 0.910 H ATOM 298 1HB CYS A 19 5.872 2.089 1.570 1.00 1.260 H ATOM 299 2HB CYS A 19 4.928 2.915 2.795 1.00 1.260 H ATOM 300 HG CYS A 19 7.945 1.668 2.910 1.00 1.260 H ATOM 301 N SER A 20 3.598 0.186 1.334 1.00 0.860 N ATOM 302 CA SER A 20 2.290 -0.065 0.741 1.00 0.920 C ATOM 303 C SER A 20 1.564 -1.153 1.524 1.00 0.910 C ATOM 304 O SER A 20 0.376 -1.021 1.851 1.00 0.920 O ATOM 305 CB SER A 20 2.432 -0.480 -0.708 1.00 1.260 C ATOM 306 OG SER A 20 1.176 -0.716 -1.291 1.00 1.260 O ATOM 307 H SER A 20 4.441 0.093 0.754 1.00 1.030 H ATOM 308 HA SER A 20 1.702 0.851 0.792 1.00 1.100 H ATOM 309 1HB SER A 20 2.959 0.297 -1.260 1.00 1.520 H ATOM 310 2HB SER A 20 3.037 -1.383 -0.766 1.00 1.520 H ATOM 311 HG SER A 20 1.353 -0.970 -2.198 1.00 1.520 H ATOM 312 N GLN A 21 2.289 -2.231 1.851 1.00 0.930 N ATOM 313 CA GLN A 21 1.705 -3.332 2.598 1.00 1.000 C ATOM 314 C GLN A 21 1.251 -2.878 3.990 1.00 0.950 C ATOM 315 O GLN A 21 0.161 -3.257 4.431 1.00 1.010 O ATOM 316 CB GLN A 21 2.719 -4.468 2.705 1.00 1.370 C ATOM 317 CG GLN A 21 3.003 -5.170 1.375 1.00 1.370 C ATOM 318 CD GLN A 21 4.144 -6.147 1.482 1.00 1.370 C ATOM 319 OE1 GLN A 21 4.839 -6.152 2.496 1.00 1.370 O ATOM 320 NE2 GLN A 21 4.350 -6.964 0.458 1.00 1.370 N ATOM 321 H GLN A 21 3.262 -2.292 1.530 1.00 1.120 H ATOM 322 HA GLN A 21 0.831 -3.689 2.055 1.00 1.200 H ATOM 323 1HB GLN A 21 3.658 -4.075 3.087 1.00 1.650 H ATOM 324 2HB GLN A 21 2.363 -5.212 3.417 1.00 1.650 H ATOM 325 1HG GLN A 21 2.112 -5.716 1.068 1.00 1.650 H ATOM 326 2HG GLN A 21 3.256 -4.425 0.625 1.00 1.650 H ATOM 327 1HE2 GLN A 21 5.100 -7.626 0.489 1.00 1.650 H ATOM 328 2HE2 GLN A 21 3.758 -6.921 -0.348 1.00 1.650 H ATOM 329 N MET A 22 2.053 -2.035 4.665 1.00 0.880 N ATOM 330 CA MET A 22 1.667 -1.526 5.977 1.00 0.900 C ATOM 331 C MET A 22 0.414 -0.679 5.904 1.00 0.820 C ATOM 332 O MET A 22 -0.474 -0.825 6.752 1.00 0.860 O ATOM 333 CB MET A 22 2.796 -0.703 6.588 1.00 1.250 C ATOM 334 CG MET A 22 2.555 -0.162 8.040 1.00 1.250 C ATOM 335 SD MET A 22 2.486 -1.413 9.317 1.00 1.250 S ATOM 336 CE MET A 22 0.761 -1.382 9.846 1.00 1.250 C ATOM 337 H MET A 22 2.971 -1.798 4.277 1.00 1.060 H ATOM 338 HA MET A 22 1.460 -2.377 6.623 1.00 1.080 H ATOM 339 1HB MET A 22 3.702 -1.310 6.605 1.00 1.500 H ATOM 340 2HB MET A 22 2.995 0.144 5.938 1.00 1.500 H ATOM 341 1HG MET A 22 3.357 0.519 8.295 1.00 1.500 H ATOM 342 2HG MET A 22 1.621 0.402 8.069 1.00 1.500 H ATOM 343 1HE MET A 22 0.617 -2.113 10.642 1.00 1.500 H ATOM 344 2HE MET A 22 0.511 -0.387 10.220 1.00 1.500 H ATOM 345 3HE MET A 22 0.113 -1.628 9.013 1.00 1.500 H ATOM 346 N GLU A 23 0.314 0.206 4.905 1.00 0.770 N ATOM 347 CA GLU A 23 -0.877 1.028 4.821 1.00 0.800 C ATOM 348 C GLU A 23 -2.090 0.143 4.609 1.00 0.800 C ATOM 349 O GLU A 23 -3.137 0.367 5.219 1.00 0.800 O ATOM 350 CB GLU A 23 -0.794 2.070 3.703 1.00 1.110 C ATOM 351 CG GLU A 23 -1.985 3.063 3.702 1.00 1.110 C ATOM 352 CD GLU A 23 -1.825 4.194 2.723 1.00 1.110 C ATOM 353 OE1 GLU A 23 -0.855 4.207 2.008 1.00 1.110 O ATOM 354 OE2 GLU A 23 -2.658 5.067 2.715 1.00 1.110 O ATOM 355 H GLU A 23 1.087 0.331 4.241 1.00 0.920 H ATOM 356 HA GLU A 23 -1.001 1.556 5.766 1.00 0.960 H ATOM 357 1HB GLU A 23 0.131 2.624 3.770 1.00 1.330 H ATOM 358 2HB GLU A 23 -0.787 1.553 2.739 1.00 1.330 H ATOM 359 1HG GLU A 23 -2.899 2.519 3.462 1.00 1.330 H ATOM 360 2HG GLU A 23 -2.097 3.474 4.710 1.00 1.330 H ATOM 361 N ALA A 24 -1.963 -0.865 3.730 1.00 0.870 N ATOM 362 CA ALA A 24 -3.080 -1.752 3.467 1.00 0.970 C ATOM 363 C ALA A 24 -3.505 -2.503 4.719 1.00 0.920 C ATOM 364 O ALA A 24 -4.702 -2.587 4.999 1.00 0.950 O ATOM 365 CB ALA A 24 -2.707 -2.747 2.387 1.00 1.320 C ATOM 366 H ALA A 24 -1.083 -0.990 3.215 1.00 1.040 H ATOM 367 HA ALA A 24 -3.918 -1.147 3.128 1.00 1.160 H ATOM 368 1HB ALA A 24 -3.560 -3.394 2.177 1.00 1.580 H ATOM 369 2HB ALA A 24 -2.420 -2.207 1.484 1.00 1.580 H ATOM 370 3HB ALA A 24 -1.868 -3.350 2.728 1.00 1.580 H ATOM 371 N ARG A 25 -2.541 -3.010 5.499 1.00 0.930 N ATOM 372 CA ARG A 25 -2.882 -3.727 6.719 1.00 0.990 C ATOM 373 C ARG A 25 -3.635 -2.844 7.678 1.00 0.880 C ATOM 374 O ARG A 25 -4.652 -3.252 8.251 1.00 0.930 O ATOM 375 CB ARG A 25 -1.651 -4.242 7.445 1.00 1.360 C ATOM 376 CG ARG A 25 -1.978 -5.018 8.741 1.00 1.360 C ATOM 377 CD ARG A 25 -0.767 -5.482 9.461 1.00 1.360 C ATOM 378 NE ARG A 25 -0.004 -6.467 8.705 1.00 1.360 N ATOM 379 CZ ARG A 25 -0.266 -7.791 8.622 1.00 1.360 C ATOM 380 NH1 ARG A 25 -1.301 -8.335 9.240 1.00 1.360 N ATOM 381 NH2 ARG A 25 0.553 -8.535 7.903 1.00 1.360 N ATOM 382 H ARG A 25 -1.559 -2.936 5.211 1.00 1.120 H ATOM 383 HA ARG A 25 -3.515 -4.573 6.451 1.00 1.190 H ATOM 384 1HB ARG A 25 -1.088 -4.899 6.782 1.00 1.630 H ATOM 385 2HB ARG A 25 -0.998 -3.407 7.699 1.00 1.630 H ATOM 386 1HG ARG A 25 -2.517 -4.366 9.429 1.00 1.630 H ATOM 387 2HG ARG A 25 -2.604 -5.875 8.498 1.00 1.630 H ATOM 388 1HD ARG A 25 -0.115 -4.622 9.638 1.00 1.630 H ATOM 389 2HD ARG A 25 -1.047 -5.915 10.418 1.00 1.630 H ATOM 390 HE ARG A 25 0.837 -6.148 8.199 1.00 1.630 H ATOM 391 1HH1 ARG A 25 -1.922 -7.764 9.791 1.00 1.630 H ATOM 392 2HH1 ARG A 25 -1.470 -9.328 9.162 1.00 1.630 H ATOM 393 1HH2 ARG A 25 1.352 -8.068 7.444 1.00 1.630 H ATOM 394 2HH2 ARG A 25 0.409 -9.525 7.809 1.00 1.630 H ATOM 395 N GLN A 26 -3.115 -1.639 7.882 1.00 0.820 N ATOM 396 CA GLN A 26 -3.713 -0.719 8.811 1.00 0.850 C ATOM 397 C GLN A 26 -5.126 -0.357 8.386 1.00 0.790 C ATOM 398 O GLN A 26 -6.029 -0.309 9.227 1.00 0.830 O ATOM 399 CB GLN A 26 -2.821 0.511 8.905 1.00 1.180 C ATOM 400 CG GLN A 26 -3.176 1.489 9.958 1.00 1.180 C ATOM 401 CD GLN A 26 -4.187 2.458 9.551 1.00 1.180 C ATOM 402 OE1 GLN A 26 -4.439 2.685 8.355 1.00 1.180 O ATOM 403 NE2 GLN A 26 -4.752 3.105 10.547 1.00 1.180 N ATOM 404 H GLN A 26 -2.262 -1.362 7.383 1.00 0.980 H ATOM 405 HA GLN A 26 -3.767 -1.199 9.784 1.00 1.020 H ATOM 406 1HB GLN A 26 -1.798 0.187 9.091 1.00 1.410 H ATOM 407 2HB GLN A 26 -2.813 1.021 7.942 1.00 1.410 H ATOM 408 1HG GLN A 26 -3.580 0.943 10.802 1.00 1.410 H ATOM 409 2HG GLN A 26 -2.279 2.035 10.243 1.00 1.410 H ATOM 410 1HE2 GLN A 26 -5.455 3.810 10.388 1.00 1.410 H ATOM 411 2HE2 GLN A 26 -4.444 2.915 11.489 1.00 1.410 H ATOM 412 N LYS A 27 -5.337 -0.146 7.081 1.00 0.830 N ATOM 413 CA LYS A 27 -6.652 0.182 6.565 1.00 0.980 C ATOM 414 C LYS A 27 -7.630 -0.957 6.790 1.00 0.980 C ATOM 415 O LYS A 27 -8.756 -0.717 7.234 1.00 1.060 O ATOM 416 CB LYS A 27 -6.587 0.529 5.080 1.00 1.310 C ATOM 417 CG LYS A 27 -7.939 0.913 4.463 1.00 1.310 C ATOM 418 CD LYS A 27 -7.776 1.370 3.014 1.00 1.310 C ATOM 419 CE LYS A 27 -9.118 1.745 2.397 1.00 1.310 C ATOM 420 NZ LYS A 27 -8.977 2.194 0.981 1.00 1.310 N ATOM 421 H LYS A 27 -4.542 -0.154 6.433 1.00 1.000 H ATOM 422 HA LYS A 27 -7.019 1.053 7.106 1.00 1.180 H ATOM 423 1HB LYS A 27 -5.888 1.353 4.934 1.00 1.570 H ATOM 424 2HB LYS A 27 -6.193 -0.328 4.530 1.00 1.570 H ATOM 425 1HG LYS A 27 -8.593 0.040 4.475 1.00 1.570 H ATOM 426 2HG LYS A 27 -8.410 1.693 5.056 1.00 1.570 H ATOM 427 1HD LYS A 27 -7.107 2.231 2.974 1.00 1.570 H ATOM 428 2HD LYS A 27 -7.331 0.560 2.434 1.00 1.570 H ATOM 429 1HE LYS A 27 -9.778 0.878 2.428 1.00 1.570 H ATOM 430 2HE LYS A 27 -9.564 2.550 2.980 1.00 1.570 H ATOM 431 1HZ LYS A 27 -9.887 2.433 0.610 1.00 1.570 H ATOM 432 2HZ LYS A 27 -8.376 3.005 0.941 1.00 1.570 H ATOM 433 3HZ LYS A 27 -8.575 1.451 0.427 1.00 1.570 H ATOM 434 N GLU A 28 -7.218 -2.194 6.479 1.00 0.970 N ATOM 435 CA GLU A 28 -8.076 -3.365 6.643 1.00 1.100 C ATOM 436 C GLU A 28 -8.488 -3.549 8.091 1.00 0.980 C ATOM 437 O GLU A 28 -9.600 -4.001 8.381 1.00 1.050 O ATOM 438 CB GLU A 28 -7.367 -4.628 6.153 1.00 1.490 C ATOM 439 CG GLU A 28 -7.178 -4.731 4.639 1.00 1.490 C ATOM 440 CD GLU A 28 -6.333 -5.918 4.243 1.00 1.490 C ATOM 441 OE1 GLU A 28 -5.817 -6.570 5.122 1.00 1.490 O ATOM 442 OE2 GLU A 28 -6.202 -6.171 3.067 1.00 1.490 O ATOM 443 H GLU A 28 -6.276 -2.328 6.089 1.00 1.160 H ATOM 444 HA GLU A 28 -8.978 -3.213 6.046 1.00 1.320 H ATOM 445 1HB GLU A 28 -6.373 -4.670 6.609 1.00 1.790 H ATOM 446 2HB GLU A 28 -7.915 -5.506 6.488 1.00 1.790 H ATOM 447 1HG GLU A 28 -8.157 -4.831 4.174 1.00 1.790 H ATOM 448 2HG GLU A 28 -6.727 -3.819 4.265 1.00 1.790 H ATOM 449 N CYS A 29 -7.560 -3.257 9.003 1.00 0.880 N ATOM 450 CA CYS A 29 -7.834 -3.367 10.422 1.00 0.940 C ATOM 451 C CYS A 29 -8.792 -2.254 10.867 1.00 0.910 C ATOM 452 O CYS A 29 -9.787 -2.504 11.557 1.00 1.030 O ATOM 453 CB CYS A 29 -6.526 -3.231 11.204 1.00 1.290 C ATOM 454 SG CYS A 29 -5.361 -4.584 10.967 1.00 1.290 S ATOM 455 H CYS A 29 -6.632 -2.979 8.676 1.00 1.060 H ATOM 456 HA CYS A 29 -8.283 -4.338 10.620 1.00 1.130 H ATOM 457 1HB CYS A 29 -6.028 -2.329 10.882 1.00 1.550 H ATOM 458 2HB CYS A 29 -6.741 -3.140 12.266 1.00 1.550 H ATOM 459 HG CYS A 29 -5.038 -4.240 9.689 1.00 1.550 H ATOM 460 N GLY A 30 -8.509 -1.022 10.422 1.00 0.870 N ATOM 461 CA GLY A 30 -9.289 0.170 10.744 1.00 1.010 C ATOM 462 C GLY A 30 -10.699 0.075 10.250 1.00 1.060 C ATOM 463 O GLY A 30 -11.648 0.516 10.905 1.00 1.150 O ATOM 464 H GLY A 30 -7.669 -0.881 9.854 1.00 1.040 H ATOM 465 1HA GLY A 30 -9.288 0.321 11.821 1.00 1.210 H ATOM 466 2HA GLY A 30 -8.815 1.039 10.284 1.00 1.210 H ATOM 467 N ALA A 31 -10.856 -0.599 9.132 1.00 1.120 N ATOM 468 CA ALA A 31 -12.137 -0.771 8.516 1.00 1.310 C ATOM 469 C ALA A 31 -13.152 -1.422 9.444 1.00 1.310 C ATOM 470 O ALA A 31 -14.346 -1.174 9.277 1.00 1.400 O ATOM 471 CB ALA A 31 -11.987 -1.609 7.261 1.00 1.760 C ATOM 472 H ALA A 31 -10.026 -0.903 8.620 1.00 1.340 H ATOM 473 HA ALA A 31 -12.511 0.216 8.245 1.00 1.570 H ATOM 474 1HB ALA A 31 -12.955 -1.709 6.774 1.00 2.110 H ATOM 475 2HB ALA A 31 -11.285 -1.120 6.587 1.00 2.110 H ATOM 476 3HB ALA A 31 -11.608 -2.593 7.530 1.00 2.110 H ATOM 477 N SER A 32 -12.746 -2.289 10.386 1.00 1.310 N ATOM 478 CA SER A 32 -13.802 -2.895 11.182 1.00 1.460 C ATOM 479 C SER A 32 -14.371 -1.955 12.277 1.00 1.510 C ATOM 480 O SER A 32 -15.559 -1.642 12.200 1.00 1.720 O ATOM 481 CB SER A 32 -13.406 -4.284 11.694 1.00 1.980 C ATOM 482 OG SER A 32 -14.422 -4.837 12.482 1.00 1.980 O ATOM 483 H SER A 32 -11.758 -2.503 10.576 1.00 1.570 H ATOM 484 HA SER A 32 -14.630 -3.098 10.503 1.00 1.750 H ATOM 485 1HB SER A 32 -13.255 -4.920 10.823 1.00 2.380 H ATOM 486 2HB SER A 32 -12.482 -4.297 12.221 1.00 2.380 H ATOM 487 HG SER A 32 -14.101 -5.698 12.762 1.00 2.380 H ATOM 488 N PRO A 33 -13.613 -1.392 13.267 1.00 1.450 N ATOM 489 CA PRO A 33 -14.163 -0.515 14.308 1.00 1.630 C ATOM 490 C PRO A 33 -14.375 0.931 13.823 1.00 1.580 C ATOM 491 O PRO A 33 -13.955 1.876 14.492 1.00 1.760 O ATOM 492 CB PRO A 33 -13.062 -0.545 15.384 1.00 2.440 C ATOM 493 CG PRO A 33 -12.102 -1.650 14.954 1.00 2.440 C ATOM 494 CD PRO A 33 -12.183 -1.635 13.440 1.00 2.440 C ATOM 495 HA PRO A 33 -15.104 -0.942 14.684 1.00 1.960 H ATOM 496 1HB PRO A 33 -12.594 0.420 15.455 1.00 2.930 H ATOM 497 2HB PRO A 33 -13.514 -0.742 16.365 1.00 2.930 H ATOM 498 1HG PRO A 33 -11.082 -1.440 15.317 1.00 2.930 H ATOM 499 2HG PRO A 33 -12.406 -2.613 15.387 1.00 2.930 H ATOM 500 1HD PRO A 33 -11.615 -0.794 13.039 1.00 2.930 H ATOM 501 2HD PRO A 33 -11.828 -2.540 13.055 1.00 2.930 H ATOM 502 N ASP A 34 -15.066 1.099 12.709 1.00 1.500 N ATOM 503 CA ASP A 34 -15.359 2.404 12.111 1.00 1.570 C ATOM 504 C ASP A 34 -14.180 3.410 12.025 1.00 1.520 C ATOM 505 O ASP A 34 -14.367 4.589 12.341 1.00 1.700 O ATOM 506 CB ASP A 34 -16.508 3.072 12.873 1.00 2.170 C ATOM 507 CG ASP A 34 -17.833 2.303 12.779 1.00 2.170 C ATOM 508 OD1 ASP A 34 -18.142 1.787 11.726 1.00 2.170 O ATOM 509 OD2 ASP A 34 -18.526 2.247 13.771 1.00 2.170 O ATOM 510 H ASP A 34 -15.445 0.255 12.265 1.00 1.800 H ATOM 511 HA ASP A 34 -15.696 2.218 11.091 1.00 1.880 H ATOM 512 1HB ASP A 34 -16.232 3.174 13.921 1.00 2.600 H ATOM 513 2HB ASP A 34 -16.669 4.073 12.480 1.00 2.600 H ATOM 514 N PHE A 35 -12.992 3.001 11.560 1.00 1.330 N ATOM 515 CA PHE A 35 -11.872 3.940 11.430 1.00 1.320 C ATOM 516 C PHE A 35 -11.433 4.197 9.993 1.00 1.220 C ATOM 517 O PHE A 35 -11.724 3.432 9.072 1.00 1.560 O ATOM 518 CB PHE A 35 -10.603 3.495 12.151 1.00 1.850 C ATOM 519 CG PHE A 35 -10.606 3.410 13.626 1.00 1.850 C ATOM 520 CD1 PHE A 35 -10.560 2.189 14.252 1.00 1.850 C ATOM 521 CD2 PHE A 35 -10.611 4.554 14.398 1.00 1.850 C ATOM 522 CE1 PHE A 35 -10.498 2.116 15.621 1.00 1.850 C ATOM 523 CE2 PHE A 35 -10.555 4.482 15.760 1.00 1.850 C ATOM 524 CZ PHE A 35 -10.496 3.257 16.371 1.00 1.850 C ATOM 525 H PHE A 35 -12.828 2.024 11.306 1.00 1.600 H ATOM 526 HA PHE A 35 -12.183 4.893 11.854 1.00 1.580 H ATOM 527 1HB PHE A 35 -10.347 2.534 11.785 1.00 2.220 H ATOM 528 2HB PHE A 35 -9.788 4.154 11.860 1.00 2.220 H ATOM 529 HD1 PHE A 35 -10.554 1.283 13.654 1.00 2.220 H ATOM 530 HD2 PHE A 35 -10.649 5.526 13.908 1.00 2.220 H ATOM 531 HE1 PHE A 35 -10.446 1.144 16.109 1.00 2.220 H ATOM 532 HE2 PHE A 35 -10.552 5.390 16.352 1.00 2.220 H ATOM 533 HZ PHE A 35 -10.443 3.187 17.453 1.00 2.220 H ATOM 534 N SER A 36 -10.784 5.345 9.809 1.00 1.200 N ATOM 535 CA SER A 36 -10.154 5.749 8.561 1.00 1.150 C ATOM 536 C SER A 36 -8.759 5.134 8.405 1.00 1.170 C ATOM 537 O SER A 36 -8.215 4.542 9.344 1.00 1.710 O ATOM 538 CB SER A 36 -10.065 7.261 8.516 1.00 1.630 C ATOM 539 OG SER A 36 -9.216 7.738 9.527 1.00 1.630 O ATOM 540 H SER A 36 -10.666 5.967 10.595 1.00 1.440 H ATOM 541 HA SER A 36 -10.774 5.405 7.733 1.00 1.380 H ATOM 542 1HB SER A 36 -9.684 7.571 7.544 1.00 1.960 H ATOM 543 2HB SER A 36 -11.057 7.690 8.634 1.00 1.960 H ATOM 544 HG SER A 36 -9.166 8.692 9.406 1.00 1.960 H ATOM 545 N ALA A 37 -8.194 5.246 7.197 1.00 1.080 N ATOM 546 CA ALA A 37 -6.832 4.779 6.925 1.00 1.080 C ATOM 547 C ALA A 37 -5.812 5.819 7.393 1.00 0.970 C ATOM 548 O ALA A 37 -6.106 7.014 7.414 1.00 1.130 O ATOM 549 CB ALA A 37 -6.639 4.495 5.450 1.00 1.510 C ATOM 550 H ALA A 37 -8.710 5.709 6.464 1.00 1.300 H ATOM 551 HA ALA A 37 -6.666 3.862 7.490 1.00 1.300 H ATOM 552 1HB ALA A 37 -5.622 4.129 5.283 1.00 1.810 H ATOM 553 2HB ALA A 37 -7.346 3.747 5.135 1.00 1.810 H ATOM 554 3HB ALA A 37 -6.794 5.404 4.879 1.00 1.810 H ATOM 555 N PHE A 38 -4.610 5.355 7.723 1.00 0.930 N ATOM 556 CA PHE A 38 -3.486 6.194 8.164 1.00 1.050 C ATOM 557 C PHE A 38 -2.336 6.151 7.157 1.00 0.990 C ATOM 558 O PHE A 38 -1.596 5.169 7.089 1.00 1.030 O ATOM 559 CB PHE A 38 -3.032 5.625 9.509 1.00 1.420 C ATOM 560 CG PHE A 38 -2.010 6.282 10.329 1.00 1.420 C ATOM 561 CD1 PHE A 38 -1.989 7.621 10.510 1.00 1.420 C ATOM 562 CD2 PHE A 38 -1.082 5.492 11.012 1.00 1.420 C ATOM 563 CE1 PHE A 38 -1.080 8.196 11.334 1.00 1.420 C ATOM 564 CE2 PHE A 38 -0.170 6.066 11.843 1.00 1.420 C ATOM 565 CZ PHE A 38 -0.176 7.427 12.004 1.00 1.420 C ATOM 566 H PHE A 38 -4.476 4.346 7.686 1.00 1.120 H ATOM 567 HA PHE A 38 -3.834 7.221 8.268 1.00 1.260 H ATOM 568 1HB PHE A 38 -3.905 5.540 10.131 1.00 1.710 H ATOM 569 2HB PHE A 38 -2.663 4.634 9.320 1.00 1.710 H ATOM 570 HD1 PHE A 38 -2.717 8.237 10.012 1.00 1.710 H ATOM 571 HD2 PHE A 38 -1.101 4.410 10.883 1.00 1.710 H ATOM 572 HE1 PHE A 38 -1.087 9.278 11.471 1.00 1.710 H ATOM 573 HE2 PHE A 38 0.551 5.451 12.382 1.00 1.710 H ATOM 574 HZ PHE A 38 0.535 7.905 12.662 1.00 1.710 H ATOM 575 N ALA A 39 -2.198 7.195 6.347 1.00 1.050 N ATOM 576 CA ALA A 39 -1.180 7.169 5.287 1.00 1.030 C ATOM 577 C ALA A 39 0.242 7.212 5.856 1.00 0.990 C ATOM 578 O ALA A 39 0.514 7.892 6.852 1.00 1.060 O ATOM 579 CB ALA A 39 -1.390 8.302 4.298 1.00 1.450 C ATOM 580 H ALA A 39 -2.835 7.993 6.468 1.00 1.260 H ATOM 581 HA ALA A 39 -1.289 6.228 4.745 1.00 1.240 H ATOM 582 1HB ALA A 39 -0.649 8.223 3.503 1.00 1.740 H ATOM 583 2HB ALA A 39 -2.389 8.218 3.872 1.00 1.740 H ATOM 584 3HB ALA A 39 -1.289 9.236 4.772 1.00 1.740 H ATOM 585 N LEU A 40 1.176 6.553 5.175 1.00 0.980 N ATOM 586 CA LEU A 40 2.572 6.575 5.596 1.00 1.060 C ATOM 587 C LEU A 40 3.309 7.726 4.938 1.00 1.020 C ATOM 588 O LEU A 40 2.854 8.270 3.931 1.00 0.990 O ATOM 589 CB LEU A 40 3.276 5.246 5.287 1.00 1.450 C ATOM 590 CG LEU A 40 3.147 4.111 6.361 1.00 1.450 C ATOM 591 CD1 LEU A 40 1.701 3.619 6.489 1.00 1.450 C ATOM 592 CD2 LEU A 40 4.034 2.976 5.954 1.00 1.450 C ATOM 593 H LEU A 40 0.912 6.021 4.354 1.00 1.180 H ATOM 594 HA LEU A 40 2.603 6.728 6.672 1.00 1.270 H ATOM 595 1HB LEU A 40 2.872 4.857 4.353 1.00 1.740 H ATOM 596 2HB LEU A 40 4.338 5.444 5.137 1.00 1.740 H ATOM 597 HG LEU A 40 3.463 4.488 7.327 1.00 1.740 H ATOM 598 1HD1 LEU A 40 1.654 2.825 7.223 1.00 1.740 H ATOM 599 2HD1 LEU A 40 1.041 4.428 6.801 1.00 1.740 H ATOM 600 3HD1 LEU A 40 1.373 3.237 5.538 1.00 1.740 H ATOM 601 1HD2 LEU A 40 3.972 2.193 6.688 1.00 1.740 H ATOM 602 2HD2 LEU A 40 3.699 2.604 4.995 1.00 1.740 H ATOM 603 3HD2 LEU A 40 5.069 3.315 5.874 1.00 1.740 H ATOM 604 N ASP A 41 4.429 8.117 5.540 1.00 1.350 N ATOM 605 CA ASP A 41 5.249 9.212 5.050 1.00 1.560 C ATOM 606 C ASP A 41 6.398 8.842 4.118 1.00 1.300 C ATOM 607 O ASP A 41 7.397 8.243 4.550 1.00 1.260 O ATOM 608 CB ASP A 41 5.872 9.999 6.181 1.00 2.100 C ATOM 609 CG ASP A 41 6.650 11.166 5.601 1.00 2.100 C ATOM 610 OD1 ASP A 41 6.356 11.558 4.469 1.00 2.100 O ATOM 611 OD2 ASP A 41 7.613 11.568 6.200 1.00 2.100 O ATOM 612 H ASP A 41 4.736 7.620 6.360 1.00 1.620 H ATOM 613 HA ASP A 41 4.589 9.885 4.501 1.00 1.870 H ATOM 614 1HB ASP A 41 5.103 10.363 6.851 1.00 2.520 H ATOM 615 2HB ASP A 41 6.538 9.364 6.760 1.00 2.520 H ATOM 616 N GLU A 42 6.258 9.215 2.853 1.00 1.290 N ATOM 617 CA GLU A 42 7.267 8.953 1.845 1.00 1.230 C ATOM 618 C GLU A 42 8.574 9.679 2.172 1.00 1.210 C ATOM 619 O GLU A 42 9.642 9.214 1.774 1.00 1.140 O ATOM 620 CB GLU A 42 6.786 9.376 0.461 1.00 1.750 C ATOM 621 CG GLU A 42 5.669 8.515 -0.102 1.00 1.750 C ATOM 622 CD GLU A 42 5.204 8.976 -1.456 1.00 1.750 C ATOM 623 OE1 GLU A 42 5.659 10.006 -1.895 1.00 1.750 O ATOM 624 OE2 GLU A 42 4.396 8.303 -2.049 1.00 1.750 O ATOM 625 H GLU A 42 5.410 9.706 2.596 1.00 1.550 H ATOM 626 HA GLU A 42 7.465 7.883 1.829 1.00 1.480 H ATOM 627 1HB GLU A 42 6.433 10.406 0.501 1.00 2.100 H ATOM 628 2HB GLU A 42 7.624 9.343 -0.237 1.00 2.100 H ATOM 629 1HG GLU A 42 6.024 7.487 -0.180 1.00 2.100 H ATOM 630 2HG GLU A 42 4.830 8.525 0.594 1.00 2.100 H ATOM 631 N VAL A 43 8.510 10.852 2.827 1.00 1.420 N ATOM 632 CA VAL A 43 9.734 11.593 3.102 1.00 1.590 C ATOM 633 C VAL A 43 10.569 10.842 4.111 1.00 1.440 C ATOM 634 O VAL A 43 11.741 10.585 3.858 1.00 1.440 O ATOM 635 CB VAL A 43 9.439 13.021 3.604 1.00 2.160 C ATOM 636 CG1 VAL A 43 10.747 13.712 4.051 1.00 2.160 C ATOM 637 CG2 VAL A 43 8.759 13.813 2.487 1.00 2.160 C ATOM 638 H VAL A 43 7.616 11.230 3.173 1.00 1.700 H ATOM 639 HA VAL A 43 10.301 11.674 2.176 1.00 1.910 H ATOM 640 HB VAL A 43 8.774 12.972 4.470 1.00 2.590 H ATOM 641 1HG1 VAL A 43 10.517 14.715 4.406 1.00 2.590 H ATOM 642 2HG1 VAL A 43 11.218 13.152 4.859 1.00 2.590 H ATOM 643 3HG1 VAL A 43 11.436 13.773 3.209 1.00 2.590 H ATOM 644 1HG2 VAL A 43 8.537 14.816 2.837 1.00 2.590 H ATOM 645 2HG2 VAL A 43 9.420 13.864 1.624 1.00 2.590 H ATOM 646 3HG2 VAL A 43 7.832 13.314 2.204 1.00 2.590 H ATOM 647 N SER A 44 9.971 10.427 5.223 1.00 1.440 N ATOM 648 CA SER A 44 10.707 9.674 6.221 1.00 1.510 C ATOM 649 C SER A 44 11.309 8.410 5.610 1.00 1.270 C ATOM 650 O SER A 44 12.459 8.064 5.911 1.00 1.330 O ATOM 651 CB SER A 44 9.777 9.300 7.359 1.00 2.090 C ATOM 652 OG SER A 44 9.337 10.442 8.049 1.00 2.090 O ATOM 653 H SER A 44 9.014 10.721 5.422 1.00 1.730 H ATOM 654 HA SER A 44 11.510 10.299 6.607 1.00 1.810 H ATOM 655 1HB SER A 44 8.919 8.761 6.960 1.00 2.500 H ATOM 656 2HB SER A 44 10.294 8.634 8.046 1.00 2.500 H ATOM 657 HG SER A 44 8.684 10.883 7.461 1.00 2.500 H ATOM 658 N MET A 45 10.555 7.728 4.735 1.00 1.100 N ATOM 659 CA MET A 45 11.071 6.539 4.071 1.00 1.060 C ATOM 660 C MET A 45 12.275 6.890 3.179 1.00 0.910 C ATOM 661 O MET A 45 13.310 6.201 3.200 1.00 0.880 O ATOM 662 CB MET A 45 9.951 5.859 3.299 1.00 1.500 C ATOM 663 CG MET A 45 10.351 4.597 2.562 1.00 1.500 C ATOM 664 SD MET A 45 11.067 4.856 0.930 1.00 1.500 S ATOM 665 CE MET A 45 9.631 5.376 -0.010 1.00 1.500 C ATOM 666 H MET A 45 9.591 8.033 4.546 1.00 1.320 H ATOM 667 HA MET A 45 11.414 5.846 4.835 1.00 1.270 H ATOM 668 1HB MET A 45 9.146 5.604 3.989 1.00 1.800 H ATOM 669 2HB MET A 45 9.542 6.570 2.596 1.00 1.800 H ATOM 670 1HG MET A 45 11.078 4.082 3.176 1.00 1.800 H ATOM 671 2HG MET A 45 9.496 3.959 2.448 1.00 1.800 H ATOM 672 1HE MET A 45 9.929 5.560 -1.044 1.00 1.800 H ATOM 673 2HE MET A 45 8.876 4.592 0.016 1.00 1.800 H ATOM 674 3HE MET A 45 9.221 6.295 0.404 1.00 1.800 H ATOM 675 N ASN A 46 12.159 7.972 2.405 1.00 0.960 N ATOM 676 CA ASN A 46 13.251 8.393 1.547 1.00 1.070 C ATOM 677 C ASN A 46 14.472 8.797 2.382 1.00 1.130 C ATOM 678 O ASN A 46 15.606 8.510 1.997 1.00 1.160 O ATOM 679 CB ASN A 46 12.808 9.548 0.669 1.00 1.450 C ATOM 680 CG ASN A 46 11.855 9.147 -0.454 1.00 1.450 C ATOM 681 OD1 ASN A 46 11.815 8.006 -0.935 1.00 1.450 O ATOM 682 ND2 ASN A 46 11.064 10.098 -0.879 1.00 1.450 N ATOM 683 H ASN A 46 11.273 8.486 2.368 1.00 1.150 H ATOM 684 HA ASN A 46 13.538 7.553 0.916 1.00 1.280 H ATOM 685 1HB ASN A 46 12.311 10.292 1.291 1.00 1.740 H ATOM 686 2HB ASN A 46 13.685 10.027 0.232 1.00 1.740 H ATOM 687 1HD2 ASN A 46 10.403 9.912 -1.607 1.00 1.740 H ATOM 688 2HD2 ASN A 46 11.112 11.010 -0.475 1.00 1.740 H ATOM 689 N LYS A 47 14.245 9.401 3.553 1.00 1.260 N ATOM 690 CA LYS A 47 15.353 9.822 4.399 1.00 1.480 C ATOM 691 C LYS A 47 16.103 8.634 4.989 1.00 1.410 C ATOM 692 O LYS A 47 17.334 8.657 5.011 1.00 1.540 O ATOM 693 CB LYS A 47 14.870 10.740 5.529 1.00 1.980 C ATOM 694 CG LYS A 47 14.390 12.154 5.095 1.00 1.980 C ATOM 695 CD LYS A 47 15.526 13.050 4.599 1.00 1.980 C ATOM 696 CE LYS A 47 15.022 14.463 4.318 1.00 1.980 C ATOM 697 NZ LYS A 47 16.108 15.358 3.810 1.00 1.980 N ATOM 698 H LYS A 47 13.283 9.637 3.802 1.00 1.510 H ATOM 699 HA LYS A 47 16.061 10.368 3.781 1.00 1.780 H ATOM 700 1HB LYS A 47 14.037 10.259 6.041 1.00 2.380 H ATOM 701 2HB LYS A 47 15.668 10.863 6.255 1.00 2.380 H ATOM 702 1HG LYS A 47 13.682 12.045 4.281 1.00 2.380 H ATOM 703 2HG LYS A 47 13.881 12.636 5.928 1.00 2.380 H ATOM 704 1HD LYS A 47 16.321 13.086 5.345 1.00 2.380 H ATOM 705 2HD LYS A 47 15.942 12.650 3.670 1.00 2.380 H ATOM 706 1HE LYS A 47 14.225 14.417 3.575 1.00 2.380 H ATOM 707 2HE LYS A 47 14.620 14.884 5.239 1.00 2.380 H ATOM 708 1HZ LYS A 47 15.733 16.282 3.643 1.00 2.380 H ATOM 709 2HZ LYS A 47 16.846 15.416 4.497 1.00 2.380 H ATOM 710 3HZ LYS A 47 16.485 14.991 2.944 1.00 2.380 H ATOM 711 N VAL A 48 15.404 7.576 5.430 1.00 1.270 N ATOM 712 CA VAL A 48 16.165 6.450 5.968 1.00 1.320 C ATOM 713 C VAL A 48 16.929 5.772 4.833 1.00 1.130 C ATOM 714 O VAL A 48 18.045 5.292 5.049 1.00 1.240 O ATOM 715 CB VAL A 48 15.302 5.413 6.759 1.00 1.830 C ATOM 716 CG1 VAL A 48 14.620 6.107 7.919 1.00 1.830 C ATOM 717 CG2 VAL A 48 14.277 4.726 5.872 1.00 1.830 C ATOM 718 H VAL A 48 14.374 7.615 5.442 1.00 1.520 H ATOM 719 HA VAL A 48 16.893 6.843 6.672 1.00 1.580 H ATOM 720 HB VAL A 48 15.968 4.661 7.176 1.00 2.190 H ATOM 721 1HG1 VAL A 48 14.048 5.380 8.497 1.00 2.190 H ATOM 722 2HG1 VAL A 48 15.372 6.567 8.557 1.00 2.190 H ATOM 723 3HG1 VAL A 48 13.949 6.874 7.542 1.00 2.190 H ATOM 724 1HG2 VAL A 48 13.713 4.017 6.456 1.00 2.190 H ATOM 725 2HG2 VAL A 48 13.615 5.468 5.481 1.00 2.190 H ATOM 726 3HG2 VAL A 48 14.757 4.197 5.060 1.00 2.190 H ATOM 727 N THR A 49 16.335 5.766 3.621 1.00 0.950 N ATOM 728 CA THR A 49 16.960 5.158 2.453 1.00 0.970 C ATOM 729 C THR A 49 18.302 5.841 2.180 1.00 1.060 C ATOM 730 O THR A 49 19.315 5.178 1.936 1.00 1.130 O ATOM 731 CB THR A 49 16.091 5.338 1.180 1.00 1.350 C ATOM 732 OG1 THR A 49 14.803 4.746 1.355 1.00 1.350 O ATOM 733 CG2 THR A 49 16.765 4.645 -0.013 1.00 1.350 C ATOM 734 H THR A 49 15.395 6.157 3.525 1.00 1.140 H ATOM 735 HA THR A 49 17.121 4.111 2.651 1.00 1.160 H ATOM 736 HB THR A 49 15.977 6.382 0.953 1.00 1.620 H ATOM 737 HG1 THR A 49 14.273 5.265 2.010 1.00 1.620 H ATOM 738 1HG2 THR A 49 16.142 4.785 -0.880 1.00 1.620 H ATOM 739 2HG2 THR A 49 17.745 5.074 -0.202 1.00 1.620 H ATOM 740 3HG2 THR A 49 16.872 3.585 0.182 1.00 1.620 H ATOM 741 N GLU A 50 18.292 7.179 2.187 1.00 1.170 N ATOM 742 CA GLU A 50 19.486 7.979 1.954 1.00 1.400 C ATOM 743 C GLU A 50 20.540 7.904 3.063 1.00 1.520 C ATOM 744 O GLU A 50 21.739 7.863 2.780 1.00 1.740 O ATOM 745 CB GLU A 50 19.098 9.449 1.777 1.00 1.870 C ATOM 746 CG GLU A 50 18.343 9.780 0.499 1.00 1.870 C ATOM 747 CD GLU A 50 17.897 11.222 0.460 1.00 1.870 C ATOM 748 OE1 GLU A 50 18.078 11.905 1.442 1.00 1.870 O ATOM 749 OE2 GLU A 50 17.372 11.638 -0.545 1.00 1.870 O ATOM 750 H GLU A 50 17.394 7.659 2.324 1.00 1.400 H ATOM 751 HA GLU A 50 19.945 7.628 1.031 1.00 1.680 H ATOM 752 1HB GLU A 50 18.462 9.745 2.615 1.00 2.240 H ATOM 753 2HB GLU A 50 19.992 10.066 1.813 1.00 2.240 H ATOM 754 1HG GLU A 50 18.997 9.588 -0.350 1.00 2.240 H ATOM 755 2HG GLU A 50 17.480 9.126 0.411 1.00 2.240 H ATOM 756 N LYS A 51 20.102 7.904 4.328 1.00 1.460 N ATOM 757 CA LYS A 51 21.040 7.924 5.446 1.00 1.650 C ATOM 758 C LYS A 51 21.802 6.630 5.721 1.00 1.580 C ATOM 759 O LYS A 51 23.007 6.678 5.972 1.00 1.770 O ATOM 760 CB LYS A 51 20.312 8.332 6.725 1.00 2.230 C ATOM 761 CG LYS A 51 19.889 9.793 6.789 1.00 2.230 C ATOM 762 CD LYS A 51 19.144 10.080 8.089 1.00 2.230 C ATOM 763 CE LYS A 51 18.707 11.536 8.188 1.00 2.230 C ATOM 764 NZ LYS A 51 17.981 11.812 9.466 1.00 2.230 N ATOM 765 H LYS A 51 19.097 7.963 4.508 1.00 1.750 H ATOM 766 HA LYS A 51 21.783 8.688 5.225 1.00 1.980 H ATOM 767 1HB LYS A 51 19.411 7.725 6.829 1.00 2.680 H ATOM 768 2HB LYS A 51 20.949 8.125 7.585 1.00 2.680 H ATOM 769 1HG LYS A 51 20.772 10.427 6.731 1.00 2.680 H ATOM 770 2HG LYS A 51 19.245 10.022 5.940 1.00 2.680 H ATOM 771 1HD LYS A 51 18.254 9.447 8.132 1.00 2.680 H ATOM 772 2HD LYS A 51 19.782 9.840 8.938 1.00 2.680 H ATOM 773 1HE LYS A 51 19.585 12.177 8.134 1.00 2.680 H ATOM 774 2HE LYS A 51 18.047 11.768 7.350 1.00 2.680 H ATOM 775 1HZ LYS A 51 17.706 12.784 9.497 1.00 2.680 H ATOM 776 2HZ LYS A 51 17.157 11.229 9.521 1.00 2.680 H ATOM 777 3HZ LYS A 51 18.586 11.610 10.251 1.00 2.680 H ATOM 778 N THR A 52 21.120 5.484 5.736 1.00 1.380 N ATOM 779 CA THR A 52 21.812 4.236 6.060 1.00 1.440 C ATOM 780 C THR A 52 21.484 3.133 5.063 1.00 1.150 C ATOM 781 O THR A 52 20.327 2.885 4.743 1.00 1.110 O ATOM 782 CB THR A 52 21.497 3.808 7.507 1.00 1.990 C ATOM 783 OG1 THR A 52 21.924 4.836 8.404 1.00 1.990 O ATOM 784 CG2 THR A 52 22.225 2.523 7.874 1.00 1.990 C ATOM 785 H THR A 52 20.117 5.467 5.516 1.00 1.660 H ATOM 786 HA THR A 52 22.884 4.411 6.000 1.00 1.730 H ATOM 787 HB THR A 52 20.438 3.688 7.606 1.00 2.390 H ATOM 788 HG1 THR A 52 21.416 5.628 8.226 1.00 2.390 H ATOM 789 1HG2 THR A 52 21.986 2.261 8.902 1.00 2.390 H ATOM 790 2HG2 THR A 52 21.923 1.713 7.227 1.00 2.390 H ATOM 791 3HG2 THR A 52 23.297 2.675 7.779 1.00 2.390 H ATOM 792 N HIS A 53 22.507 2.432 4.592 1.00 1.230 N ATOM 793 CA HIS A 53 22.254 1.364 3.643 1.00 1.210 C ATOM 794 C HIS A 53 21.682 0.141 4.339 1.00 1.200 C ATOM 795 O HIS A 53 21.979 -0.118 5.502 1.00 1.380 O ATOM 796 CB HIS A 53 23.527 0.969 2.890 1.00 1.700 C ATOM 797 CG HIS A 53 24.070 2.050 2.012 1.00 1.700 C ATOM 798 ND1 HIS A 53 23.342 2.607 0.986 1.00 1.700 N ATOM 799 CD2 HIS A 53 25.278 2.659 1.996 1.00 1.700 C ATOM 800 CE1 HIS A 53 24.079 3.517 0.380 1.00 1.700 C ATOM 801 NE2 HIS A 53 25.258 3.567 0.977 1.00 1.700 N ATOM 802 H HIS A 53 23.448 2.653 4.884 1.00 1.480 H ATOM 803 HA HIS A 53 21.522 1.699 2.911 1.00 1.450 H ATOM 804 1HB HIS A 53 24.297 0.680 3.604 1.00 2.040 H ATOM 805 2HB HIS A 53 23.322 0.105 2.264 1.00 2.040 H ATOM 806 HD1 HIS A 53 22.343 2.666 1.005 1.00 2.040 H ATOM 807 HD2 HIS A 53 26.174 2.546 2.608 1.00 2.040 H ATOM 808 HE1 HIS A 53 23.682 4.079 -0.462 1.00 2.040 H ATOM 809 N ARG A 54 20.893 -0.618 3.589 1.00 1.150 N ATOM 810 CA ARG A 54 20.298 -1.874 4.028 1.00 1.270 C ATOM 811 C ARG A 54 19.460 -1.762 5.303 1.00 1.190 C ATOM 812 O ARG A 54 19.601 -2.572 6.219 1.00 1.510 O ATOM 813 CB ARG A 54 21.364 -2.943 4.215 1.00 1.730 C ATOM 814 CG ARG A 54 22.384 -3.085 3.066 1.00 1.730 C ATOM 815 CD ARG A 54 21.744 -3.324 1.728 1.00 1.730 C ATOM 816 NE ARG A 54 20.980 -4.567 1.692 1.00 1.730 N ATOM 817 CZ ARG A 54 20.040 -4.888 0.763 1.00 1.730 C ATOM 818 NH1 ARG A 54 19.734 -4.059 -0.213 1.00 1.730 N ATOM 819 NH2 ARG A 54 19.426 -6.055 0.829 1.00 1.730 N ATOM 820 H ARG A 54 20.713 -0.298 2.650 1.00 1.380 H ATOM 821 HA ARG A 54 19.629 -2.214 3.239 1.00 1.520 H ATOM 822 1HB ARG A 54 21.929 -2.734 5.123 1.00 2.080 H ATOM 823 2HB ARG A 54 20.882 -3.910 4.351 1.00 2.080 H ATOM 824 1HG ARG A 54 22.995 -2.191 3.004 1.00 2.080 H ATOM 825 2HG ARG A 54 23.027 -3.938 3.279 1.00 2.080 H ATOM 826 1HD ARG A 54 21.091 -2.500 1.466 1.00 2.080 H ATOM 827 2HD ARG A 54 22.534 -3.398 0.979 1.00 2.080 H ATOM 828 HE ARG A 54 21.175 -5.253 2.413 1.00 2.080 H ATOM 829 1HH1 ARG A 54 20.191 -3.163 -0.293 1.00 2.080 H ATOM 830 2HH1 ARG A 54 19.020 -4.338 -0.915 1.00 2.080 H ATOM 831 1HH2 ARG A 54 19.650 -6.705 1.566 1.00 2.080 H ATOM 832 2HH2 ARG A 54 18.734 -6.301 0.126 1.00 2.080 H ATOM 833 N VAL A 55 18.545 -0.794 5.332 1.00 0.980 N ATOM 834 CA VAL A 55 17.642 -0.588 6.465 1.00 1.210 C ATOM 835 C VAL A 55 16.210 -0.930 6.103 1.00 1.020 C ATOM 836 O VAL A 55 15.267 -0.340 6.607 1.00 1.170 O ATOM 837 CB VAL A 55 17.704 0.842 7.026 1.00 1.600 C ATOM 838 CG1 VAL A 55 19.048 1.064 7.568 1.00 1.600 C ATOM 839 CG2 VAL A 55 17.351 1.888 5.971 1.00 1.600 C ATOM 840 H VAL A 55 18.505 -0.164 4.543 1.00 1.180 H ATOM 841 HA VAL A 55 17.952 -1.253 7.267 1.00 1.450 H ATOM 842 HB VAL A 55 17.017 0.923 7.846 1.00 1.920 H ATOM 843 1HG1 VAL A 55 19.081 2.042 8.005 1.00 1.920 H ATOM 844 2HG1 VAL A 55 19.266 0.322 8.326 1.00 1.920 H ATOM 845 3HG1 VAL A 55 19.774 0.986 6.761 1.00 1.920 H ATOM 846 1HG2 VAL A 55 17.413 2.879 6.408 1.00 1.920 H ATOM 847 2HG2 VAL A 55 18.059 1.820 5.172 1.00 1.920 H ATOM 848 3HG2 VAL A 55 16.345 1.732 5.588 1.00 1.920 H ATOM 849 N LEU A 56 16.028 -1.932 5.258 1.00 0.910 N ATOM 850 CA LEU A 56 14.700 -2.389 4.849 1.00 0.860 C ATOM 851 C LEU A 56 13.934 -2.905 6.078 1.00 0.910 C ATOM 852 O LEU A 56 12.696 -2.822 6.168 1.00 0.980 O ATOM 853 CB LEU A 56 14.893 -3.451 3.755 1.00 1.220 C ATOM 854 CG LEU A 56 15.533 -4.799 4.207 1.00 1.220 C ATOM 855 CD1 LEU A 56 14.416 -5.837 4.470 1.00 1.220 C ATOM 856 CD2 LEU A 56 16.561 -5.256 3.167 1.00 1.220 C ATOM 857 H LEU A 56 16.847 -2.383 4.868 1.00 1.090 H ATOM 858 HA LEU A 56 14.161 -1.552 4.420 1.00 1.030 H ATOM 859 1HB LEU A 56 13.918 -3.676 3.325 1.00 1.470 H ATOM 860 2HB LEU A 56 15.518 -3.034 2.969 1.00 1.470 H ATOM 861 HG LEU A 56 16.058 -4.657 5.139 1.00 1.470 H ATOM 862 1HD1 LEU A 56 14.859 -6.774 4.809 1.00 1.470 H ATOM 863 2HD1 LEU A 56 13.726 -5.492 5.231 1.00 1.470 H ATOM 864 3HD1 LEU A 56 13.859 -6.019 3.554 1.00 1.470 H ATOM 865 1HD2 LEU A 56 17.023 -6.183 3.502 1.00 1.470 H ATOM 866 2HD2 LEU A 56 16.094 -5.422 2.228 1.00 1.470 H ATOM 867 3HD2 LEU A 56 17.333 -4.494 3.051 1.00 1.470 H ATOM 868 N ARG A 57 14.713 -3.356 7.063 1.00 1.000 N ATOM 869 CA ARG A 57 14.232 -3.886 8.315 1.00 1.170 C ATOM 870 C ARG A 57 13.404 -2.883 9.090 1.00 1.160 C ATOM 871 O ARG A 57 12.657 -3.287 9.975 1.00 1.280 O ATOM 872 CB ARG A 57 15.377 -4.335 9.203 1.00 1.570 C ATOM 873 CG ARG A 57 16.273 -3.216 9.730 1.00 1.570 C ATOM 874 CD ARG A 57 17.408 -3.761 10.504 1.00 1.570 C ATOM 875 NE ARG A 57 18.278 -2.710 11.022 1.00 1.570 N ATOM 876 CZ ARG A 57 19.318 -2.147 10.355 1.00 1.570 C ATOM 877 NH1 ARG A 57 19.635 -2.543 9.137 1.00 1.570 N ATOM 878 NH2 ARG A 57 20.032 -1.198 10.940 1.00 1.570 N ATOM 879 H ARG A 57 15.707 -3.381 6.896 1.00 1.200 H ATOM 880 HA ARG A 57 13.619 -4.759 8.092 1.00 1.400 H ATOM 881 1HB ARG A 57 14.971 -4.868 10.066 1.00 1.880 H ATOM 882 2HB ARG A 57 16.004 -5.036 8.653 1.00 1.880 H ATOM 883 1HG ARG A 57 16.655 -2.624 8.903 1.00 1.880 H ATOM 884 2HG ARG A 57 15.705 -2.573 10.403 1.00 1.880 H ATOM 885 1HD ARG A 57 17.012 -4.320 11.353 1.00 1.880 H ATOM 886 2HD ARG A 57 17.997 -4.431 9.881 1.00 1.880 H ATOM 887 HE ARG A 57 18.084 -2.371 11.958 1.00 1.880 H ATOM 888 1HH1 ARG A 57 19.105 -3.267 8.674 1.00 1.880 H ATOM 889 2HH1 ARG A 57 20.422 -2.127 8.645 1.00 1.880 H ATOM 890 1HH2 ARG A 57 19.801 -0.893 11.877 1.00 1.880 H ATOM 891 2HH2 ARG A 57 20.814 -0.782 10.453 1.00 1.880 H ATOM 892 N VAL A 58 13.533 -1.578 8.817 1.00 1.060 N ATOM 893 CA VAL A 58 12.741 -0.662 9.618 1.00 1.070 C ATOM 894 C VAL A 58 11.274 -0.903 9.332 1.00 0.990 C ATOM 895 O VAL A 58 10.440 -0.730 10.213 1.00 0.970 O ATOM 896 CB VAL A 58 13.116 0.827 9.383 1.00 1.490 C ATOM 897 CG1 VAL A 58 14.594 1.000 9.691 1.00 1.490 C ATOM 898 CG2 VAL A 58 12.760 1.299 7.967 1.00 1.490 C ATOM 899 H VAL A 58 14.146 -1.250 8.065 1.00 1.270 H ATOM 900 HA VAL A 58 12.923 -0.878 10.670 1.00 1.280 H ATOM 901 HB VAL A 58 12.573 1.440 10.086 1.00 1.790 H ATOM 902 1HG1 VAL A 58 14.877 2.048 9.571 1.00 1.790 H ATOM 903 2HG1 VAL A 58 14.787 0.684 10.716 1.00 1.790 H ATOM 904 3HG1 VAL A 58 15.172 0.391 9.016 1.00 1.790 H ATOM 905 1HG2 VAL A 58 13.044 2.336 7.869 1.00 1.790 H ATOM 906 2HG2 VAL A 58 13.282 0.720 7.242 1.00 1.790 H ATOM 907 3HG2 VAL A 58 11.695 1.214 7.790 1.00 1.790 H ATOM 908 N MET A 59 10.931 -1.272 8.092 1.00 0.960 N ATOM 909 CA MET A 59 9.541 -1.526 7.816 1.00 0.920 C ATOM 910 C MET A 59 9.119 -2.876 8.327 1.00 0.930 C ATOM 911 O MET A 59 7.972 -3.054 8.746 1.00 0.900 O ATOM 912 CB MET A 59 9.204 -1.369 6.364 1.00 1.300 C ATOM 913 CG MET A 59 9.147 0.028 5.834 1.00 1.300 C ATOM 914 SD MET A 59 7.997 1.060 6.784 1.00 1.300 S ATOM 915 CE MET A 59 6.460 0.114 6.765 1.00 1.300 C ATOM 916 H MET A 59 11.640 -1.441 7.374 1.00 1.150 H ATOM 917 HA MET A 59 8.960 -0.792 8.361 1.00 1.100 H ATOM 918 1HB MET A 59 9.976 -1.856 5.794 1.00 1.560 H ATOM 919 2HB MET A 59 8.286 -1.863 6.169 1.00 1.560 H ATOM 920 1HG MET A 59 10.132 0.470 5.901 1.00 1.560 H ATOM 921 2HG MET A 59 8.838 0.026 4.783 1.00 1.560 H ATOM 922 1HE MET A 59 5.688 0.675 7.278 1.00 1.560 H ATOM 923 2HE MET A 59 6.166 -0.081 5.761 1.00 1.560 H ATOM 924 3HE MET A 59 6.595 -0.835 7.280 1.00 1.560 H ATOM 925 N GLU A 60 10.041 -3.835 8.322 1.00 1.010 N ATOM 926 CA GLU A 60 9.700 -5.152 8.842 1.00 1.070 C ATOM 927 C GLU A 60 9.351 -5.029 10.334 1.00 1.030 C ATOM 928 O GLU A 60 8.411 -5.671 10.814 1.00 1.050 O ATOM 929 CB GLU A 60 10.851 -6.135 8.654 1.00 1.470 C ATOM 930 CG GLU A 60 11.140 -6.534 7.204 1.00 1.470 C ATOM 931 CD GLU A 60 12.345 -7.411 7.107 1.00 1.470 C ATOM 932 OE1 GLU A 60 13.057 -7.474 8.080 1.00 1.470 O ATOM 933 OE2 GLU A 60 12.552 -8.022 6.085 1.00 1.470 O ATOM 934 H GLU A 60 10.957 -3.630 7.905 1.00 1.210 H ATOM 935 HA GLU A 60 8.822 -5.527 8.311 1.00 1.280 H ATOM 936 1HB GLU A 60 11.751 -5.711 9.083 1.00 1.770 H ATOM 937 2HB GLU A 60 10.633 -7.047 9.209 1.00 1.770 H ATOM 938 1HG GLU A 60 10.277 -7.055 6.791 1.00 1.770 H ATOM 939 2HG GLU A 60 11.304 -5.630 6.616 1.00 1.770 H ATOM 940 N ILE A 61 10.112 -4.173 11.044 1.00 1.020 N ATOM 941 CA ILE A 61 9.908 -3.898 12.462 1.00 1.030 C ATOM 942 C ILE A 61 8.609 -3.139 12.673 1.00 0.930 C ATOM 943 O ILE A 61 7.834 -3.469 13.574 1.00 0.980 O ATOM 944 CB ILE A 61 11.074 -3.074 13.047 1.00 1.440 C ATOM 945 CG1 ILE A 61 12.369 -3.932 13.050 1.00 1.440 C ATOM 946 CG2 ILE A 61 10.700 -2.607 14.494 1.00 1.440 C ATOM 947 CD1 ILE A 61 13.655 -3.133 13.283 1.00 1.440 C ATOM 948 H ILE A 61 10.896 -3.729 10.562 1.00 1.220 H ATOM 949 HA ILE A 61 9.850 -4.842 12.994 1.00 1.240 H ATOM 950 HB ILE A 61 11.256 -2.208 12.415 1.00 1.730 H ATOM 951 1HG1 ILE A 61 12.286 -4.684 13.833 1.00 1.730 H ATOM 952 2HG1 ILE A 61 12.451 -4.448 12.098 1.00 1.730 H ATOM 953 1HG2 ILE A 61 11.509 -2.021 14.910 1.00 1.730 H ATOM 954 2HG2 ILE A 61 9.807 -1.998 14.480 1.00 1.730 H ATOM 955 3HG2 ILE A 61 10.522 -3.480 15.125 1.00 1.730 H ATOM 956 1HD1 ILE A 61 14.507 -3.812 13.264 1.00 1.730 H ATOM 957 2HD1 ILE A 61 13.767 -2.393 12.488 1.00 1.730 H ATOM 958 3HD1 ILE A 61 13.623 -2.631 14.243 1.00 1.730 H ATOM 959 N LYS A 62 8.380 -2.083 11.881 1.00 0.870 N ATOM 960 CA LYS A 62 7.160 -1.307 12.021 1.00 0.870 C ATOM 961 C LYS A 62 5.909 -2.164 11.843 1.00 0.840 C ATOM 962 O LYS A 62 4.940 -2.007 12.582 1.00 0.900 O ATOM 963 CB LYS A 62 7.156 -0.126 11.047 1.00 1.220 C ATOM 964 CG LYS A 62 8.106 1.020 11.456 1.00 1.220 C ATOM 965 CD LYS A 62 8.171 2.156 10.428 1.00 1.220 C ATOM 966 CE LYS A 62 9.077 3.278 10.906 1.00 1.220 C ATOM 967 NZ LYS A 62 9.160 4.405 9.932 1.00 1.220 N ATOM 968 H LYS A 62 9.071 -1.799 11.181 1.00 1.040 H ATOM 969 HA LYS A 62 7.146 -0.908 13.031 1.00 1.040 H ATOM 970 1HB LYS A 62 7.467 -0.479 10.071 1.00 1.460 H ATOM 971 2HB LYS A 62 6.155 0.246 10.937 1.00 1.460 H ATOM 972 1HG LYS A 62 7.763 1.435 12.390 1.00 1.460 H ATOM 973 2HG LYS A 62 9.083 0.632 11.619 1.00 1.460 H ATOM 974 1HD LYS A 62 8.603 1.754 9.521 1.00 1.460 H ATOM 975 2HD LYS A 62 7.190 2.546 10.205 1.00 1.460 H ATOM 976 1HE LYS A 62 8.696 3.657 11.854 1.00 1.460 H ATOM 977 2HE LYS A 62 10.078 2.879 11.057 1.00 1.460 H ATOM 978 1HZ LYS A 62 9.772 5.120 10.307 1.00 1.460 H ATOM 979 2HZ LYS A 62 9.528 4.076 9.051 1.00 1.460 H ATOM 980 3HZ LYS A 62 8.243 4.795 9.787 1.00 1.460 H ATOM 981 N GLU A 63 5.922 -3.105 10.909 1.00 0.810 N ATOM 982 CA GLU A 63 4.760 -3.958 10.794 1.00 0.870 C ATOM 983 C GLU A 63 4.672 -4.932 11.969 1.00 0.870 C ATOM 984 O GLU A 63 3.631 -5.022 12.629 1.00 0.950 O ATOM 985 CB GLU A 63 4.779 -4.746 9.485 1.00 1.190 C ATOM 986 CG GLU A 63 3.531 -5.614 9.266 1.00 1.190 C ATOM 987 CD GLU A 63 3.554 -6.386 7.977 1.00 1.190 C ATOM 988 OE1 GLU A 63 4.574 -6.926 7.641 1.00 1.190 O ATOM 989 OE2 GLU A 63 2.531 -6.444 7.333 1.00 1.190 O ATOM 990 H GLU A 63 6.711 -3.193 10.261 1.00 0.970 H ATOM 991 HA GLU A 63 3.870 -3.342 10.821 1.00 1.040 H ATOM 992 1HB GLU A 63 4.860 -4.052 8.647 1.00 1.430 H ATOM 993 2HB GLU A 63 5.660 -5.391 9.462 1.00 1.430 H ATOM 994 1HG GLU A 63 3.436 -6.325 10.088 1.00 1.430 H ATOM 995 2HG GLU A 63 2.654 -4.968 9.282 1.00 1.430 H ATOM 996 N ALA A 64 5.770 -5.649 12.254 1.00 0.900 N ATOM 997 CA ALA A 64 5.765 -6.693 13.275 1.00 0.970 C ATOM 998 C ALA A 64 5.381 -6.202 14.664 1.00 1.020 C ATOM 999 O ALA A 64 4.613 -6.879 15.368 1.00 1.100 O ATOM 1000 CB ALA A 64 7.142 -7.327 13.344 1.00 1.330 C ATOM 1001 H ALA A 64 6.625 -5.522 11.704 1.00 1.080 H ATOM 1002 HA ALA A 64 5.043 -7.446 12.971 1.00 1.160 H ATOM 1003 1HB ALA A 64 7.136 -8.137 14.071 1.00 1.600 H ATOM 1004 2HB ALA A 64 7.409 -7.716 12.362 1.00 1.600 H ATOM 1005 3HB ALA A 64 7.869 -6.571 13.643 1.00 1.600 H ATOM 1006 N VAL A 65 5.808 -4.994 15.041 1.00 1.100 N ATOM 1007 CA VAL A 65 5.501 -4.479 16.374 1.00 1.250 C ATOM 1008 C VAL A 65 4.015 -4.462 16.676 1.00 1.170 C ATOM 1009 O VAL A 65 3.636 -4.439 17.845 1.00 1.540 O ATOM 1010 CB VAL A 65 6.140 -3.086 16.627 1.00 1.690 C ATOM 1011 CG1 VAL A 65 5.542 -2.014 15.775 1.00 1.690 C ATOM 1012 CG2 VAL A 65 5.925 -2.682 18.082 1.00 1.690 C ATOM 1013 H VAL A 65 6.430 -4.465 14.421 1.00 1.320 H ATOM 1014 HA VAL A 65 5.967 -5.156 17.090 1.00 1.500 H ATOM 1015 HB VAL A 65 7.207 -3.148 16.401 1.00 2.030 H ATOM 1016 1HG1 VAL A 65 6.028 -1.072 15.988 1.00 2.030 H ATOM 1017 2HG1 VAL A 65 5.702 -2.280 14.761 1.00 2.030 H ATOM 1018 3HG1 VAL A 65 4.491 -1.917 15.964 1.00 2.030 H ATOM 1019 1HG2 VAL A 65 6.383 -1.741 18.229 1.00 2.030 H ATOM 1020 2HG2 VAL A 65 4.881 -2.576 18.325 1.00 2.030 H ATOM 1021 3HG2 VAL A 65 6.377 -3.419 18.744 1.00 2.030 H ATOM 1022 N SER A 66 3.166 -4.399 15.653 1.00 1.290 N ATOM 1023 CA SER A 66 1.741 -4.419 15.893 1.00 1.480 C ATOM 1024 C SER A 66 1.311 -3.375 16.938 1.00 1.480 C ATOM 1025 O SER A 66 0.548 -3.675 17.855 1.00 1.540 O ATOM 1026 CB SER A 66 1.384 -5.824 16.345 1.00 2.000 C ATOM 1027 OG SER A 66 1.799 -6.772 15.377 1.00 2.000 O ATOM 1028 H SER A 66 3.511 -4.457 14.688 1.00 1.550 H ATOM 1029 HA SER A 66 1.239 -4.203 14.949 1.00 1.780 H ATOM 1030 1HB SER A 66 1.844 -6.051 17.301 1.00 2.400 H ATOM 1031 2HB SER A 66 0.307 -5.888 16.480 1.00 2.400 H ATOM 1032 HG SER A 66 2.808 -6.799 15.429 1.00 2.400 H ATOM 1033 N SER A 67 1.768 -2.130 16.762 1.00 1.470 N ATOM 1034 CA SER A 67 1.517 -0.989 17.657 1.00 1.490 C ATOM 1035 C SER A 67 0.137 -0.361 17.483 1.00 1.310 C ATOM 1036 O SER A 67 -0.266 0.524 18.260 1.00 1.270 O ATOM 1037 CB SER A 67 2.523 0.103 17.406 1.00 2.080 C ATOM 1038 OG SER A 67 2.295 0.650 16.148 1.00 2.080 O ATOM 1039 H SER A 67 2.371 -1.970 15.965 1.00 1.760 H ATOM 1040 HA SER A 67 1.615 -1.340 18.686 1.00 1.790 H ATOM 1041 1HB SER A 67 2.424 0.879 18.166 1.00 2.490 H ATOM 1042 2HB SER A 67 3.536 -0.288 17.470 1.00 2.490 H ATOM 1043 HG SER A 67 2.932 1.404 16.048 1.00 2.490 H ATOM 1044 N LEU A 68 -0.610 -0.838 16.490 1.00 1.280 N ATOM 1045 CA LEU A 68 -1.881 -0.233 16.174 1.00 1.200 C ATOM 1046 C LEU A 68 -2.889 -0.180 17.321 1.00 1.050 C ATOM 1047 O LEU A 68 -3.629 0.788 17.375 1.00 1.050 O ATOM 1048 CB LEU A 68 -2.512 -0.879 14.932 1.00 1.710 C ATOM 1049 CG LEU A 68 -1.839 -0.572 13.557 1.00 1.710 C ATOM 1050 CD1 LEU A 68 -2.479 -1.450 12.462 1.00 1.710 C ATOM 1051 CD2 LEU A 68 -2.040 0.918 13.203 1.00 1.710 C ATOM 1052 H LEU A 68 -0.236 -1.589 15.932 1.00 1.540 H ATOM 1053 HA LEU A 68 -1.664 0.789 15.920 1.00 1.440 H ATOM 1054 1HB LEU A 68 -2.543 -1.955 15.058 1.00 2.050 H ATOM 1055 2HB LEU A 68 -3.510 -0.510 14.859 1.00 2.050 H ATOM 1056 HG LEU A 68 -0.772 -0.797 13.605 1.00 2.050 H ATOM 1057 1HD1 LEU A 68 -2.008 -1.236 11.503 1.00 2.050 H ATOM 1058 2HD1 LEU A 68 -2.338 -2.503 12.702 1.00 2.050 H ATOM 1059 3HD1 LEU A 68 -3.543 -1.237 12.398 1.00 2.050 H ATOM 1060 1HD2 LEU A 68 -1.577 1.100 12.250 1.00 2.050 H ATOM 1061 2HD2 LEU A 68 -3.108 1.141 13.147 1.00 2.050 H ATOM 1062 3HD2 LEU A 68 -1.583 1.570 13.933 1.00 2.050 H ATOM 1063 N PRO A 69 -3.022 -1.131 18.261 1.00 1.010 N ATOM 1064 CA PRO A 69 -3.957 -0.982 19.365 1.00 1.000 C ATOM 1065 C PRO A 69 -3.808 0.376 20.086 1.00 1.030 C ATOM 1066 O PRO A 69 -4.816 0.952 20.518 1.00 1.090 O ATOM 1067 CB PRO A 69 -3.600 -2.177 20.250 1.00 1.500 C ATOM 1068 CG PRO A 69 -3.092 -3.221 19.257 1.00 1.500 C ATOM 1069 CD PRO A 69 -2.308 -2.421 18.241 1.00 1.500 C ATOM 1070 HA PRO A 69 -4.980 -1.095 18.990 1.00 1.200 H ATOM 1071 1HB PRO A 69 -2.837 -1.879 20.988 1.00 1.800 H ATOM 1072 2HB PRO A 69 -4.482 -2.509 20.814 1.00 1.800 H ATOM 1073 1HG PRO A 69 -2.464 -3.965 19.774 1.00 1.800 H ATOM 1074 2HG PRO A 69 -3.932 -3.771 18.811 1.00 1.800 H ATOM 1075 1HD PRO A 69 -1.302 -2.317 18.636 1.00 1.800 H ATOM 1076 2HD PRO A 69 -2.334 -2.897 17.254 1.00 1.800 H ATOM 1077 N SER A 70 -2.567 0.920 20.160 1.00 1.080 N ATOM 1078 CA SER A 70 -2.344 2.204 20.812 1.00 1.160 C ATOM 1079 C SER A 70 -2.831 3.278 19.878 1.00 1.100 C ATOM 1080 O SER A 70 -3.493 4.233 20.294 1.00 1.120 O ATOM 1081 CB SER A 70 -0.875 2.418 21.122 1.00 1.590 C ATOM 1082 OG SER A 70 -0.419 1.498 22.078 1.00 1.590 O ATOM 1083 H SER A 70 -1.739 0.466 19.774 1.00 1.300 H ATOM 1084 HA SER A 70 -2.920 2.247 21.736 1.00 1.390 H ATOM 1085 1HB SER A 70 -0.291 2.318 20.206 1.00 1.910 H ATOM 1086 2HB SER A 70 -0.728 3.434 21.491 1.00 1.910 H ATOM 1087 HG SER A 70 0.489 1.737 22.259 1.00 1.910 H ATOM 1088 N TYR A 71 -2.496 3.121 18.603 1.00 1.080 N ATOM 1089 CA TYR A 71 -2.927 4.069 17.590 1.00 1.110 C ATOM 1090 C TYR A 71 -4.432 4.214 17.581 1.00 0.970 C ATOM 1091 O TYR A 71 -4.946 5.334 17.564 1.00 1.030 O ATOM 1092 CB TYR A 71 -2.432 3.696 16.197 1.00 1.540 C ATOM 1093 CG TYR A 71 -2.987 4.598 15.169 1.00 1.540 C ATOM 1094 CD1 TYR A 71 -2.498 5.876 15.046 1.00 1.540 C ATOM 1095 CD2 TYR A 71 -4.011 4.152 14.348 1.00 1.540 C ATOM 1096 CE1 TYR A 71 -3.043 6.717 14.124 1.00 1.540 C ATOM 1097 CE2 TYR A 71 -4.544 4.998 13.421 1.00 1.540 C ATOM 1098 CZ TYR A 71 -4.069 6.278 13.314 1.00 1.540 C ATOM 1099 OH TYR A 71 -4.609 7.136 12.402 1.00 1.540 O ATOM 1100 H TYR A 71 -1.913 2.311 18.360 1.00 1.300 H ATOM 1101 HA TYR A 71 -2.531 5.049 17.843 1.00 1.330 H ATOM 1102 1HB TYR A 71 -1.341 3.725 16.151 1.00 1.850 H ATOM 1103 2HB TYR A 71 -2.757 2.705 15.962 1.00 1.850 H ATOM 1104 HD1 TYR A 71 -1.693 6.222 15.691 1.00 1.850 H ATOM 1105 HD2 TYR A 71 -4.394 3.134 14.449 1.00 1.850 H ATOM 1106 HE1 TYR A 71 -2.668 7.728 14.028 1.00 1.850 H ATOM 1107 HE2 TYR A 71 -5.353 4.669 12.779 1.00 1.850 H ATOM 1108 HH TYR A 71 -5.230 6.675 11.839 1.00 1.850 H ATOM 1109 N TRP A 72 -5.144 3.086 17.564 1.00 0.900 N ATOM 1110 CA TRP A 72 -6.589 3.124 17.495 1.00 0.910 C ATOM 1111 C TRP A 72 -7.157 3.831 18.706 1.00 0.940 C ATOM 1112 O TRP A 72 -8.081 4.632 18.564 1.00 1.030 O ATOM 1113 CB TRP A 72 -7.199 1.724 17.431 1.00 1.270 C ATOM 1114 CG TRP A 72 -6.827 0.914 16.224 1.00 1.270 C ATOM 1115 CD1 TRP A 72 -6.304 -0.337 16.254 1.00 1.270 C ATOM 1116 CD2 TRP A 72 -6.874 1.283 14.831 1.00 1.270 C ATOM 1117 NE1 TRP A 72 -6.057 -0.779 14.998 1.00 1.270 N ATOM 1118 CE2 TRP A 72 -6.381 0.198 14.117 1.00 1.270 C ATOM 1119 CE3 TRP A 72 -7.281 2.422 14.139 1.00 1.270 C ATOM 1120 CZ2 TRP A 72 -6.277 0.221 12.773 1.00 1.270 C ATOM 1121 CZ3 TRP A 72 -7.181 2.424 12.785 1.00 1.270 C ATOM 1122 CH2 TRP A 72 -6.686 1.345 12.133 1.00 1.270 C ATOM 1123 H TRP A 72 -4.653 2.198 17.570 1.00 1.080 H ATOM 1124 HA TRP A 72 -6.874 3.687 16.617 1.00 1.090 H ATOM 1125 1HB TRP A 72 -6.865 1.163 18.307 1.00 1.520 H ATOM 1126 2HB TRP A 72 -8.269 1.790 17.490 1.00 1.520 H ATOM 1127 HD1 TRP A 72 -6.123 -0.907 17.149 1.00 1.520 H ATOM 1128 HE1 TRP A 72 -5.674 -1.684 14.761 1.00 1.520 H ATOM 1129 HE3 TRP A 72 -7.677 3.282 14.652 1.00 1.520 H ATOM 1130 HZ2 TRP A 72 -5.890 -0.610 12.207 1.00 1.520 H ATOM 1131 HZ3 TRP A 72 -7.504 3.306 12.238 1.00 1.520 H ATOM 1132 HH2 TRP A 72 -6.619 1.369 11.049 1.00 1.520 H ATOM 1133 N SER A 73 -6.608 3.568 19.892 1.00 0.960 N ATOM 1134 CA SER A 73 -7.082 4.235 21.097 1.00 1.080 C ATOM 1135 C SER A 73 -6.888 5.752 20.983 1.00 1.070 C ATOM 1136 O SER A 73 -7.816 6.529 21.246 1.00 1.230 O ATOM 1137 CB SER A 73 -6.338 3.699 22.303 1.00 1.460 C ATOM 1138 OG SER A 73 -6.782 4.296 23.492 1.00 1.460 O ATOM 1139 H SER A 73 -5.884 2.847 19.973 1.00 1.150 H ATOM 1140 HA SER A 73 -8.145 4.027 21.216 1.00 1.300 H ATOM 1141 1HB SER A 73 -6.471 2.618 22.359 1.00 1.760 H ATOM 1142 2HB SER A 73 -5.272 3.885 22.178 1.00 1.760 H ATOM 1143 HG SER A 73 -6.238 3.911 24.181 1.00 1.760 H ATOM 1144 N TRP A 74 -5.691 6.181 20.542 1.00 1.010 N ATOM 1145 CA TRP A 74 -5.417 7.607 20.413 1.00 1.080 C ATOM 1146 C TRP A 74 -6.335 8.254 19.385 1.00 1.090 C ATOM 1147 O TRP A 74 -6.838 9.360 19.593 1.00 1.200 O ATOM 1148 CB TRP A 74 -3.956 7.871 20.005 1.00 1.480 C ATOM 1149 CG TRP A 74 -2.942 7.702 21.115 1.00 1.480 C ATOM 1150 CD1 TRP A 74 -1.918 6.795 21.193 1.00 1.480 C ATOM 1151 CD2 TRP A 74 -2.867 8.484 22.319 1.00 1.480 C ATOM 1152 NE1 TRP A 74 -1.207 6.984 22.359 1.00 1.480 N ATOM 1153 CE2 TRP A 74 -1.787 7.992 23.063 1.00 1.480 C ATOM 1154 CE3 TRP A 74 -3.616 9.549 22.824 1.00 1.480 C ATOM 1155 CZ2 TRP A 74 -1.449 8.521 24.280 1.00 1.480 C ATOM 1156 CZ3 TRP A 74 -3.273 10.077 24.051 1.00 1.480 C ATOM 1157 CH2 TRP A 74 -2.226 9.575 24.764 1.00 1.480 C ATOM 1158 H TRP A 74 -4.955 5.496 20.340 1.00 1.210 H ATOM 1159 HA TRP A 74 -5.604 8.072 21.375 1.00 1.300 H ATOM 1160 1HB TRP A 74 -3.684 7.183 19.201 1.00 1.780 H ATOM 1161 2HB TRP A 74 -3.864 8.884 19.607 1.00 1.780 H ATOM 1162 HD1 TRP A 74 -1.691 6.054 20.444 1.00 1.780 H ATOM 1163 HE1 TRP A 74 -0.351 6.470 22.676 1.00 1.780 H ATOM 1164 HE3 TRP A 74 -4.458 9.957 22.263 1.00 1.780 H ATOM 1165 HZ2 TRP A 74 -0.612 8.130 24.855 1.00 1.780 H ATOM 1166 HZ3 TRP A 74 -3.866 10.906 24.440 1.00 1.780 H ATOM 1167 HH2 TRP A 74 -1.995 10.018 25.733 1.00 1.780 H ATOM 1168 N LEU A 75 -6.577 7.560 18.276 1.00 1.070 N ATOM 1169 CA LEU A 75 -7.450 8.074 17.240 1.00 1.210 C ATOM 1170 C LEU A 75 -8.894 8.173 17.711 1.00 1.290 C ATOM 1171 O LEU A 75 -9.530 9.209 17.528 1.00 1.560 O ATOM 1172 CB LEU A 75 -7.333 7.194 15.986 1.00 1.640 C ATOM 1173 CG LEU A 75 -8.243 7.531 14.768 1.00 1.640 C ATOM 1174 CD1 LEU A 75 -8.001 8.963 14.268 1.00 1.640 C ATOM 1175 CD2 LEU A 75 -7.916 6.530 13.661 1.00 1.640 C ATOM 1176 H LEU A 75 -6.108 6.661 18.130 1.00 1.280 H ATOM 1177 HA LEU A 75 -7.107 9.072 16.997 1.00 1.450 H ATOM 1178 1HB LEU A 75 -6.296 7.225 15.648 1.00 1.970 H ATOM 1179 2HB LEU A 75 -7.552 6.165 16.280 1.00 1.970 H ATOM 1180 HG LEU A 75 -9.289 7.439 15.057 1.00 1.970 H ATOM 1181 1HD1 LEU A 75 -8.642 9.161 13.407 1.00 1.970 H ATOM 1182 2HD1 LEU A 75 -8.233 9.684 15.051 1.00 1.970 H ATOM 1183 3HD1 LEU A 75 -6.976 9.065 13.971 1.00 1.970 H ATOM 1184 1HD2 LEU A 75 -8.543 6.721 12.789 1.00 1.970 H ATOM 1185 2HD2 LEU A 75 -6.890 6.642 13.386 1.00 1.970 H ATOM 1186 3HD2 LEU A 75 -8.078 5.524 14.013 1.00 1.970 H ATOM 1187 N ARG A 76 -9.400 7.124 18.355 1.00 1.200 N ATOM 1188 CA ARG A 76 -10.786 7.052 18.800 1.00 1.410 C ATOM 1189 C ARG A 76 -11.110 8.180 19.771 1.00 1.500 C ATOM 1190 O ARG A 76 -12.199 8.770 19.723 1.00 1.740 O ATOM 1191 CB ARG A 76 -11.026 5.718 19.503 1.00 1.890 C ATOM 1192 CG ARG A 76 -12.467 5.379 19.896 1.00 1.890 C ATOM 1193 CD ARG A 76 -13.312 5.043 18.706 1.00 1.890 C ATOM 1194 NE ARG A 76 -14.649 4.639 19.112 1.00 1.890 N ATOM 1195 CZ ARG A 76 -15.613 4.153 18.294 1.00 1.890 C ATOM 1196 NH1 ARG A 76 -15.406 3.982 17.005 1.00 1.890 N ATOM 1197 NH2 ARG A 76 -16.795 3.839 18.800 1.00 1.890 N ATOM 1198 H ARG A 76 -8.812 6.301 18.495 1.00 1.440 H ATOM 1199 HA ARG A 76 -11.427 7.135 17.928 1.00 1.690 H ATOM 1200 1HB ARG A 76 -10.663 4.923 18.881 1.00 2.270 H ATOM 1201 2HB ARG A 76 -10.428 5.694 20.419 1.00 2.270 H ATOM 1202 1HG ARG A 76 -12.459 4.517 20.558 1.00 2.270 H ATOM 1203 2HG ARG A 76 -12.920 6.226 20.409 1.00 2.270 H ATOM 1204 1HD ARG A 76 -13.406 5.914 18.061 1.00 2.270 H ATOM 1205 2HD ARG A 76 -12.854 4.224 18.154 1.00 2.270 H ATOM 1206 HE ARG A 76 -14.881 4.743 20.092 1.00 2.270 H ATOM 1207 1HH1 ARG A 76 -14.512 4.199 16.582 1.00 2.270 H ATOM 1208 2HH1 ARG A 76 -16.158 3.619 16.433 1.00 2.270 H ATOM 1209 1HH2 ARG A 76 -16.972 3.964 19.788 1.00 2.270 H ATOM 1210 2HH2 ARG A 76 -17.523 3.474 18.199 1.00 2.270 H ATOM 1211 N LYS A 77 -10.152 8.488 20.644 1.00 1.560 N ATOM 1212 CA LYS A 77 -10.288 9.505 21.671 1.00 1.920 C ATOM 1213 C LYS A 77 -9.956 10.935 21.238 1.00 2.330 C ATOM 1214 O LYS A 77 -10.048 11.848 22.064 1.00 3.050 O ATOM 1215 CB LYS A 77 -9.396 9.156 22.861 1.00 2.540 C ATOM 1216 CG LYS A 77 -9.794 7.903 23.617 1.00 2.540 C ATOM 1217 CD LYS A 77 -8.840 7.660 24.779 1.00 2.540 C ATOM 1218 CE LYS A 77 -9.215 6.417 25.564 1.00 2.540 C ATOM 1219 NZ LYS A 77 -8.278 6.172 26.697 1.00 2.540 N ATOM 1220 H LYS A 77 -9.290 7.926 20.636 1.00 1.870 H ATOM 1221 HA LYS A 77 -11.326 9.499 22.003 1.00 2.300 H ATOM 1222 1HB LYS A 77 -8.372 9.012 22.500 1.00 3.050 H ATOM 1223 2HB LYS A 77 -9.382 9.987 23.563 1.00 3.050 H ATOM 1224 1HG LYS A 77 -10.810 8.009 23.991 1.00 3.050 H ATOM 1225 2HG LYS A 77 -9.760 7.048 22.939 1.00 3.050 H ATOM 1226 1HD LYS A 77 -7.829 7.531 24.383 1.00 3.050 H ATOM 1227 2HD LYS A 77 -8.847 8.521 25.444 1.00 3.050 H ATOM 1228 1HE LYS A 77 -10.223 6.532 25.958 1.00 3.050 H ATOM 1229 2HE LYS A 77 -9.191 5.556 24.895 1.00 3.050 H ATOM 1230 1HZ LYS A 77 -8.557 5.337 27.191 1.00 3.050 H ATOM 1231 2HZ LYS A 77 -7.339 6.055 26.339 1.00 3.050 H ATOM 1232 3HZ LYS A 77 -8.298 6.959 27.330 1.00 3.050 H ATOM 1233 N THR A 78 -9.558 11.154 19.983 1.00 2.350 N ATOM 1234 CA THR A 78 -9.191 12.504 19.575 1.00 2.950 C ATOM 1235 C THR A 78 -10.268 13.127 18.714 1.00 2.770 C ATOM 1236 O THR A 78 -10.705 12.553 17.714 1.00 2.750 O ATOM 1237 CB THR A 78 -7.869 12.531 18.785 1.00 3.890 C ATOM 1238 OG1 THR A 78 -6.801 12.020 19.595 1.00 3.890 O ATOM 1239 CG2 THR A 78 -7.500 13.988 18.398 1.00 3.890 C ATOM 1240 H THR A 78 -9.514 10.390 19.301 1.00 2.820 H ATOM 1241 HA THR A 78 -9.070 13.118 20.464 1.00 3.540 H ATOM 1242 HB THR A 78 -7.973 11.914 17.891 1.00 4.670 H ATOM 1243 HG1 THR A 78 -6.931 11.048 19.733 1.00 4.670 H ATOM 1244 1HG2 THR A 78 -6.569 13.972 17.850 1.00 4.670 H ATOM 1245 2HG2 THR A 78 -8.258 14.437 17.784 1.00 4.670 H ATOM 1246 3HG2 THR A 78 -7.384 14.583 19.300 1.00 4.670 H ATOM 1247 N LYS A 79 -10.678 14.328 19.089 1.00 3.280 N ATOM 1248 CA LYS A 79 -11.653 15.087 18.331 1.00 3.610 C ATOM 1249 C LYS A 79 -11.133 16.505 18.196 1.00 3.430 C ATOM 1250 O LYS A 79 -10.473 17.008 19.107 1.00 3.640 O ATOM 1251 CB LYS A 79 -13.015 15.103 19.037 1.00 4.920 C ATOM 1252 CG LYS A 79 -13.668 13.721 19.275 1.00 4.920 C ATOM 1253 CD LYS A 79 -14.143 13.057 17.976 1.00 4.920 C ATOM 1254 CE LYS A 79 -14.919 11.755 18.246 1.00 4.920 C ATOM 1255 NZ LYS A 79 -14.049 10.670 18.829 1.00 4.920 N ATOM 1256 H LYS A 79 -10.283 14.730 19.930 1.00 3.940 H ATOM 1257 HA LYS A 79 -11.752 14.669 17.330 1.00 4.330 H ATOM 1258 1HB LYS A 79 -12.906 15.584 20.008 1.00 5.910 H ATOM 1259 2HB LYS A 79 -13.712 15.710 18.455 1.00 5.910 H ATOM 1260 1HG LYS A 79 -12.951 13.069 19.771 1.00 5.910 H ATOM 1261 2HG LYS A 79 -14.524 13.847 19.937 1.00 5.910 H ATOM 1262 1HD LYS A 79 -14.783 13.747 17.426 1.00 5.910 H ATOM 1263 2HD LYS A 79 -13.281 12.812 17.356 1.00 5.910 H ATOM 1264 1HE LYS A 79 -15.733 11.962 18.938 1.00 5.910 H ATOM 1265 2HE LYS A 79 -15.335 11.398 17.307 1.00 5.910 H ATOM 1266 1HZ LYS A 79 -14.587 9.833 18.987 1.00 5.910 H ATOM 1267 2HZ LYS A 79 -13.287 10.444 18.199 1.00 5.910 H ATOM 1268 3HZ LYS A 79 -13.666 10.971 19.708 1.00 5.910 H ATOM 1269 N LEU A 80 -11.432 17.157 17.083 1.00 3.360 N ATOM 1270 CA LEU A 80 -11.056 18.550 16.935 1.00 3.440 C ATOM 1271 C LEU A 80 -12.364 19.357 16.932 1.00 3.680 C ATOM 1272 O LEU A 80 -13.345 18.881 16.362 1.00 3.990 O ATOM 1273 CB LEU A 80 -10.284 18.738 15.629 1.00 4.780 C ATOM 1274 CG LEU A 80 -9.012 17.846 15.425 1.00 4.780 C ATOM 1275 CD1 LEU A 80 -8.451 18.134 14.066 1.00 4.780 C ATOM 1276 CD2 LEU A 80 -7.945 18.081 16.483 1.00 4.780 C ATOM 1277 H LEU A 80 -11.951 16.690 16.352 1.00 4.030 H ATOM 1278 HA LEU A 80 -10.418 18.825 17.759 1.00 4.130 H ATOM 1279 1HB LEU A 80 -10.954 18.497 14.818 1.00 5.740 H ATOM 1280 2HB LEU A 80 -9.991 19.781 15.540 1.00 5.740 H ATOM 1281 HG LEU A 80 -9.306 16.814 15.455 1.00 5.740 H ATOM 1282 1HD1 LEU A 80 -7.579 17.507 13.881 1.00 5.740 H ATOM 1283 2HD1 LEU A 80 -9.202 17.934 13.302 1.00 5.740 H ATOM 1284 3HD1 LEU A 80 -8.148 19.171 14.004 1.00 5.740 H ATOM 1285 1HD2 LEU A 80 -7.107 17.435 16.262 1.00 5.740 H ATOM 1286 2HD2 LEU A 80 -7.618 19.092 16.456 1.00 5.740 H ATOM 1287 3HD2 LEU A 80 -8.329 17.849 17.474 1.00 5.740 H ATOM 1288 N PRO A 81 -12.431 20.554 17.550 1.00 3.980 N ATOM 1289 CA PRO A 81 -13.591 21.449 17.558 1.00 4.550 C ATOM 1290 C PRO A 81 -14.066 21.830 16.160 1.00 4.710 C ATOM 1291 O PRO A 81 -13.256 22.074 15.252 1.00 4.790 O ATOM 1292 CB PRO A 81 -13.051 22.672 18.307 1.00 6.820 C ATOM 1293 CG PRO A 81 -11.967 22.133 19.204 1.00 6.820 C ATOM 1294 CD PRO A 81 -11.324 21.002 18.427 1.00 6.820 C ATOM 1295 HA PRO A 81 -14.411 20.980 18.124 1.00 5.460 H ATOM 1296 1HB PRO A 81 -12.690 23.414 17.597 1.00 8.190 H ATOM 1297 2HB PRO A 81 -13.864 23.142 18.870 1.00 8.190 H ATOM 1298 1HG PRO A 81 -11.250 22.940 19.434 1.00 8.190 H ATOM 1299 2HG PRO A 81 -12.392 21.804 20.162 1.00 8.190 H ATOM 1300 1HD PRO A 81 -10.464 21.333 17.853 1.00 8.190 H ATOM 1301 2HD PRO A 81 -11.065 20.234 19.169 1.00 8.190 H ATOM 1302 N GLU A 82 -15.390 21.936 16.011 1.00 5.120 N ATOM 1303 CA GLU A 82 -16.076 22.279 14.760 1.00 5.590 C ATOM 1304 C GLU A 82 -15.659 23.606 14.111 1.00 5.750 C ATOM 1305 O GLU A 82 -16.028 23.888 12.971 1.00 6.020 O ATOM 1306 CB GLU A 82 -17.588 22.286 15.016 1.00 7.640 C ATOM 1307 CG GLU A 82 -18.065 23.390 15.964 1.00 7.640 C ATOM 1308 CD GLU A 82 -17.896 23.036 17.427 1.00 7.640 C ATOM 1309 OE1 GLU A 82 -17.409 21.959 17.711 1.00 7.640 O ATOM 1310 OE2 GLU A 82 -18.218 23.847 18.253 1.00 7.640 O ATOM 1311 H GLU A 82 -15.988 21.730 16.819 1.00 6.140 H ATOM 1312 HA GLU A 82 -15.865 21.486 14.055 1.00 6.710 H ATOM 1313 1HB GLU A 82 -18.112 22.412 14.069 1.00 9.170 H ATOM 1314 2HB GLU A 82 -17.891 21.325 15.430 1.00 9.170 H ATOM 1315 1HG GLU A 82 -17.550 24.311 15.745 1.00 9.170 H ATOM 1316 2HG GLU A 82 -19.124 23.562 15.772 1.00 9.170 H ATOM 1317 N TYR A 83 -14.870 24.405 14.822 1.00 5.840 N ATOM 1318 CA TYR A 83 -14.389 25.682 14.332 1.00 6.190 C ATOM 1319 C TYR A 83 -12.860 25.764 14.252 1.00 5.910 C ATOM 1320 O TYR A 83 -12.323 26.823 13.921 1.00 6.290 O ATOM 1321 CB TYR A 83 -14.967 26.797 15.207 1.00 8.530 C ATOM 1322 CG TYR A 83 -14.593 26.684 16.663 1.00 8.530 C ATOM 1323 CD1 TYR A 83 -13.458 27.295 17.148 1.00 8.530 C ATOM 1324 CD2 TYR A 83 -15.383 25.933 17.508 1.00 8.530 C ATOM 1325 CE1 TYR A 83 -13.123 27.161 18.480 1.00 8.530 C ATOM 1326 CE2 TYR A 83 -15.053 25.793 18.822 1.00 8.530 C ATOM 1327 CZ TYR A 83 -13.927 26.402 19.315 1.00 8.530 C ATOM 1328 OH TYR A 83 -13.595 26.260 20.640 1.00 8.530 O ATOM 1329 H TYR A 83 -14.634 24.119 15.761 1.00 7.010 H ATOM 1330 HA TYR A 83 -14.770 25.822 13.321 1.00 7.430 H ATOM 1331 1HB TYR A 83 -14.620 27.764 14.840 1.00 10.230 H ATOM 1332 2HB TYR A 83 -16.055 26.788 15.132 1.00 10.230 H ATOM 1333 HD1 TYR A 83 -12.826 27.885 16.481 1.00 10.230 H ATOM 1334 HD2 TYR A 83 -16.270 25.450 17.133 1.00 10.230 H ATOM 1335 HE1 TYR A 83 -12.226 27.642 18.868 1.00 10.230 H ATOM 1336 HE2 TYR A 83 -15.691 25.196 19.477 1.00 10.230 H ATOM 1337 HH TYR A 83 -14.256 25.718 21.079 1.00 10.230 H ATOM 1338 N THR A 84 -12.149 24.669 14.567 1.00 5.560 N ATOM 1339 CA THR A 84 -10.690 24.698 14.497 1.00 5.730 C ATOM 1340 C THR A 84 -10.203 23.565 13.616 1.00 5.450 C ATOM 1341 O THR A 84 -9.120 23.652 13.037 1.00 5.460 O ATOM 1342 CB THR A 84 -10.025 24.507 15.856 1.00 7.950 C ATOM 1343 OG1 THR A 84 -10.295 23.196 16.313 1.00 7.950 O ATOM 1344 CG2 THR A 84 -10.581 25.459 16.834 1.00 7.950 C ATOM 1345 H THR A 84 -12.607 23.797 14.825 1.00 6.670 H ATOM 1346 HA THR A 84 -10.365 25.641 14.060 1.00 6.880 H ATOM 1347 HB THR A 84 -8.953 24.656 15.764 1.00 9.540 H ATOM 1348 HG1 THR A 84 -9.706 22.581 15.862 1.00 9.540 H ATOM 1349 1HG2 THR A 84 -10.113 25.306 17.802 1.00 9.540 H ATOM 1350 2HG2 THR A 84 -10.402 26.479 16.495 1.00 9.540 H ATOM 1351 3HG2 THR A 84 -11.630 25.286 16.917 1.00 9.540 H ATOM 1352 N ARG A 85 -11.056 22.547 13.433 1.00 5.530 N ATOM 1353 CA ARG A 85 -10.748 21.316 12.687 1.00 5.700 C ATOM 1354 C ARG A 85 -10.391 21.564 11.230 1.00 6.250 C ATOM 1355 O ARG A 85 -9.925 20.669 10.534 1.00 6.470 O ATOM 1356 CB ARG A 85 -11.906 20.334 12.755 1.00 7.910 C ATOM 1357 CG ARG A 85 -13.178 20.756 12.056 1.00 7.910 C ATOM 1358 CD ARG A 85 -14.253 19.767 12.284 1.00 7.910 C ATOM 1359 NE ARG A 85 -15.516 20.209 11.708 1.00 7.910 N ATOM 1360 CZ ARG A 85 -16.671 19.512 11.736 1.00 7.910 C ATOM 1361 NH1 ARG A 85 -16.721 18.324 12.306 1.00 7.910 N ATOM 1362 NH2 ARG A 85 -17.756 20.032 11.189 1.00 7.910 N ATOM 1363 H ARG A 85 -11.932 22.567 13.962 1.00 6.640 H ATOM 1364 HA ARG A 85 -9.889 20.843 13.163 1.00 6.840 H ATOM 1365 1HB ARG A 85 -11.595 19.373 12.342 1.00 9.490 H ATOM 1366 2HB ARG A 85 -12.174 20.174 13.796 1.00 9.490 H ATOM 1367 1HG ARG A 85 -13.510 21.719 12.448 1.00 9.490 H ATOM 1368 2HG ARG A 85 -13.011 20.835 10.981 1.00 9.490 H ATOM 1369 1HD ARG A 85 -13.972 18.822 11.823 1.00 9.490 H ATOM 1370 2HD ARG A 85 -14.389 19.628 13.362 1.00 9.490 H ATOM 1371 HE ARG A 85 -15.530 21.120 11.258 1.00 9.490 H ATOM 1372 1HH1 ARG A 85 -15.893 17.929 12.730 1.00 9.490 H ATOM 1373 2HH1 ARG A 85 -17.589 17.807 12.324 1.00 9.490 H ATOM 1374 1HH2 ARG A 85 -17.716 20.950 10.765 1.00 9.490 H ATOM 1375 2HH2 ARG A 85 -18.628 19.522 11.203 1.00 9.490 H ATOM 1376 N GLU A 86 -10.680 22.759 10.741 1.00 6.760 N ATOM 1377 CA GLU A 86 -10.329 23.141 9.383 1.00 7.590 C ATOM 1378 C GLU A 86 -8.802 23.216 9.198 1.00 7.690 C ATOM 1379 O GLU A 86 -8.309 23.165 8.072 1.00 8.430 O ATOM 1380 CB GLU A 86 -10.958 24.488 9.026 1.00 10.290 C ATOM 1381 CG GLU A 86 -12.479 24.463 8.902 1.00 10.290 C ATOM 1382 CD GLU A 86 -13.061 25.807 8.538 1.00 10.290 C ATOM 1383 OE1 GLU A 86 -12.320 26.760 8.488 1.00 10.290 O ATOM 1384 OE2 GLU A 86 -14.244 25.878 8.308 1.00 10.290 O ATOM 1385 H GLU A 86 -11.108 23.436 11.358 1.00 8.110 H ATOM 1386 HA GLU A 86 -10.715 22.384 8.700 1.00 9.110 H ATOM 1387 1HB GLU A 86 -10.696 25.221 9.792 1.00 12.350 H ATOM 1388 2HB GLU A 86 -10.547 24.841 8.081 1.00 12.350 H ATOM 1389 1HG GLU A 86 -12.753 23.740 8.134 1.00 12.350 H ATOM 1390 2HG GLU A 86 -12.905 24.127 9.847 1.00 12.350 H ATOM 1391 N ALA A 87 -8.064 23.453 10.291 1.00 7.120 N ATOM 1392 CA ALA A 87 -6.609 23.568 10.247 1.00 7.080 C ATOM 1393 C ALA A 87 -5.987 23.300 11.624 1.00 6.750 C ATOM 1394 O ALA A 87 -5.428 24.223 12.225 1.00 6.910 O ATOM 1395 CB ALA A 87 -6.206 24.947 9.751 1.00 9.930 C ATOM 1396 H ALA A 87 -8.520 23.510 11.206 1.00 8.540 H ATOM 1397 HA ALA A 87 -6.229 22.810 9.562 1.00 8.500 H ATOM 1398 1HB ALA A 87 -5.120 25.007 9.700 1.00 11.910 H ATOM 1399 2HB ALA A 87 -6.628 25.112 8.759 1.00 11.910 H ATOM 1400 3HB ALA A 87 -6.583 25.701 10.437 1.00 11.910 H ATOM 1401 N LEU A 88 -6.125 22.084 12.165 1.00 6.600 N ATOM 1402 CA LEU A 88 -5.614 21.850 13.528 1.00 6.590 C ATOM 1403 C LEU A 88 -4.991 20.494 13.825 1.00 6.750 C ATOM 1404 O LEU A 88 -5.617 19.448 13.706 1.00 7.000 O ATOM 1405 CB LEU A 88 -6.726 22.079 14.571 1.00 9.230 C ATOM 1406 CG LEU A 88 -6.355 21.748 16.088 1.00 9.230 C ATOM 1407 CD1 LEU A 88 -5.269 22.679 16.605 1.00 9.230 C ATOM 1408 CD2 LEU A 88 -7.580 21.886 16.949 1.00 9.230 C ATOM 1409 H LEU A 88 -6.547 21.335 11.598 1.00 7.920 H ATOM 1410 HA LEU A 88 -4.843 22.597 13.703 1.00 7.910 H ATOM 1411 1HB LEU A 88 -7.015 23.129 14.523 1.00 11.080 H ATOM 1412 2HB LEU A 88 -7.589 21.481 14.290 1.00 11.080 H ATOM 1413 HG LEU A 88 -5.989 20.726 16.152 1.00 11.080 H ATOM 1414 1HD1 LEU A 88 -5.041 22.417 17.640 1.00 11.080 H ATOM 1415 2HD1 LEU A 88 -4.368 22.588 16.022 1.00 11.080 H ATOM 1416 3HD1 LEU A 88 -5.626 23.707 16.558 1.00 11.080 H ATOM 1417 1HD2 LEU A 88 -7.330 21.637 17.980 1.00 11.080 H ATOM 1418 2HD2 LEU A 88 -7.917 22.902 16.905 1.00 11.080 H ATOM 1419 3HD2 LEU A 88 -8.355 21.222 16.595 1.00 11.080 H ATOM 1420 N CYS A 89 -3.761 20.547 14.315 1.00 6.870 N ATOM 1421 CA CYS A 89 -3.025 19.372 14.739 1.00 7.180 C ATOM 1422 C CYS A 89 -3.309 19.122 16.226 1.00 7.050 C ATOM 1423 O CYS A 89 -3.038 20.008 17.035 1.00 7.220 O ATOM 1424 CB CYS A 89 -1.526 19.575 14.544 1.00 9.930 C ATOM 1425 SG CYS A 89 -0.501 18.190 15.108 1.00 9.930 S ATOM 1426 H CYS A 89 -3.321 21.455 14.387 1.00 8.240 H ATOM 1427 HA CYS A 89 -3.343 18.545 14.119 1.00 8.620 H ATOM 1428 1HB CYS A 89 -1.323 19.730 13.482 1.00 11.910 H ATOM 1429 2HB CYS A 89 -1.206 20.465 15.076 1.00 11.910 H ATOM 1430 HG CYS A 89 -1.022 18.111 16.363 1.00 11.910 H ATOM 1431 N PRO A 90 -3.787 17.933 16.629 1.00 7.080 N ATOM 1432 CA PRO A 90 -4.132 17.585 17.990 1.00 7.340 C ATOM 1433 C PRO A 90 -2.877 17.501 18.856 1.00 7.750 C ATOM 1434 O PRO A 90 -1.779 17.360 18.313 1.00 7.770 O ATOM 1435 CB PRO A 90 -4.770 16.207 17.850 1.00 11.010 C ATOM 1436 CG PRO A 90 -4.170 15.638 16.620 1.00 11.010 C ATOM 1437 CD PRO A 90 -3.976 16.822 15.680 1.00 11.010 C ATOM 1438 HA PRO A 90 -4.854 18.328 18.336 1.00 8.810 H ATOM 1439 1HB PRO A 90 -4.533 15.588 18.731 1.00 13.210 H ATOM 1440 2HB PRO A 90 -5.855 16.298 17.809 1.00 13.210 H ATOM 1441 1HG PRO A 90 -3.216 15.133 16.861 1.00 13.210 H ATOM 1442 2HG PRO A 90 -4.832 14.864 16.232 1.00 13.210 H ATOM 1443 1HD PRO A 90 -3.077 16.628 15.087 1.00 13.210 H ATOM 1444 2HD PRO A 90 -4.872 16.982 15.050 1.00 13.210 H ATOM 1445 N PRO A 91 -3.012 17.590 20.192 1.00 8.280 N ATOM 1446 CA PRO A 91 -1.955 17.429 21.171 1.00 8.930 C ATOM 1447 C PRO A 91 -1.237 16.104 20.998 1.00 9.250 C ATOM 1448 O PRO A 91 -1.838 15.116 20.576 1.00 9.540 O ATOM 1449 CB PRO A 91 -2.715 17.464 22.499 1.00 13.390 C ATOM 1450 CG PRO A 91 -3.965 18.253 22.210 1.00 13.390 C ATOM 1451 CD PRO A 91 -4.336 17.895 20.793 1.00 13.390 C ATOM 1452 HA PRO A 91 -1.248 18.272 21.086 1.00 10.720 H ATOM 1453 1HB PRO A 91 -2.926 16.431 22.830 1.00 16.070 H ATOM 1454 2HB PRO A 91 -2.092 17.922 23.278 1.00 16.070 H ATOM 1455 1HG PRO A 91 -4.755 17.991 22.932 1.00 16.070 H ATOM 1456 2HG PRO A 91 -3.768 19.329 22.334 1.00 16.070 H ATOM 1457 1HD PRO A 91 -5.002 17.020 20.762 1.00 16.070 H ATOM 1458 2HD PRO A 91 -4.788 18.792 20.364 1.00 16.070 H ATOM 1459 N ALA A 92 0.036 16.091 21.360 1.00 9.400 N ATOM 1460 CA ALA A 92 0.886 14.915 21.265 1.00 9.880 C ATOM 1461 C ALA A 92 0.446 13.775 22.162 1.00 9.850 C ATOM 1462 O ALA A 92 -0.075 13.985 23.258 1.00 10.020 O ATOM 1463 CB ALA A 92 2.314 15.289 21.626 1.00 13.640 C ATOM 1464 H ALA A 92 0.443 16.949 21.707 1.00 11.280 H ATOM 1465 HA ALA A 92 0.837 14.559 20.240 1.00 11.860 H ATOM 1466 1HB ALA A 92 2.960 14.416 21.534 1.00 16.370 H ATOM 1467 2HB ALA A 92 2.665 16.076 20.964 1.00 16.370 H ATOM 1468 3HB ALA A 92 2.343 15.641 22.656 1.00 16.370 H ATOM 1469 N CYS A 93 0.729 12.561 21.701 1.00 9.820 N ATOM 1470 CA CYS A 93 0.481 11.353 22.460 1.00 9.970 C ATOM 1471 C CYS A 93 1.399 11.294 23.669 1.00 10.310 C ATOM 1472 O CYS A 93 2.583 11.608 23.563 1.00 10.520 O ATOM 1473 CB CYS A 93 0.783 10.115 21.607 1.00 13.900 C ATOM 1474 SG CYS A 93 -0.282 9.874 20.198 1.00 13.900 S ATOM 1475 H CYS A 93 1.148 12.473 20.790 1.00 11.780 H ATOM 1476 HA CYS A 93 -0.559 11.343 22.787 1.00 11.960 H ATOM 1477 1HB CYS A 93 1.804 10.189 21.233 1.00 16.680 H ATOM 1478 2HB CYS A 93 0.740 9.220 22.222 1.00 16.680 H ATOM 1479 HG CYS A 93 -1.268 9.286 20.889 1.00 16.680 H ATOM 1480 N ARG A 94 0.877 10.808 24.796 1.00 10.540 N ATOM 1481 CA ARG A 94 1.685 10.583 25.992 1.00 11.020 C ATOM 1482 C ARG A 94 2.867 9.666 25.696 1.00 10.930 C ATOM 1483 O ARG A 94 3.946 9.817 26.279 1.00 11.330 O ATOM 1484 CB ARG A 94 0.851 10.001 27.130 1.00 15.240 C ATOM 1485 CG ARG A 94 1.651 9.606 28.381 1.00 15.240 C ATOM 1486 CD ARG A 94 2.317 10.761 29.047 1.00 15.240 C ATOM 1487 NE ARG A 94 3.134 10.323 30.159 1.00 15.240 N ATOM 1488 CZ ARG A 94 4.402 9.847 30.048 1.00 15.240 C ATOM 1489 NH1 ARG A 94 4.988 9.733 28.859 1.00 15.240 N ATOM 1490 NH2 ARG A 94 5.061 9.486 31.143 1.00 15.240 N ATOM 1491 H ARG A 94 -0.112 10.607 24.817 1.00 12.650 H ATOM 1492 HA ARG A 94 2.071 11.551 26.308 1.00 13.220 H ATOM 1493 1HB ARG A 94 0.089 10.716 27.431 1.00 18.280 H ATOM 1494 2HB ARG A 94 0.345 9.105 26.787 1.00 18.280 H ATOM 1495 1HG ARG A 94 0.960 9.178 29.104 1.00 18.280 H ATOM 1496 2HG ARG A 94 2.397 8.854 28.132 1.00 18.280 H ATOM 1497 1HD ARG A 94 2.953 11.303 28.359 1.00 18.280 H ATOM 1498 2HD ARG A 94 1.555 11.436 29.435 1.00 18.280 H ATOM 1499 HE ARG A 94 2.734 10.388 31.086 1.00 18.280 H ATOM 1500 1HH1 ARG A 94 4.491 9.992 27.985 1.00 18.280 H ATOM 1501 2HH1 ARG A 94 5.927 9.375 28.789 1.00 18.280 H ATOM 1502 1HH2 ARG A 94 4.621 9.568 32.050 1.00 18.280 H ATOM 1503 2HH2 ARG A 94 6.002 9.129 31.072 1.00 18.280 H ATOM 1504 N GLY A 95 2.646 8.700 24.808 1.00 10.580 N ATOM 1505 CA GLY A 95 3.661 7.762 24.400 1.00 10.680 C ATOM 1506 C GLY A 95 3.081 6.768 23.405 1.00 10.220 C ATOM 1507 O GLY A 95 1.854 6.660 23.239 1.00 10.130 O ATOM 1508 H GLY A 95 1.730 8.605 24.399 1.00 12.700 H ATOM 1509 1HA GLY A 95 4.494 8.299 23.946 1.00 12.820 H ATOM 1510 2HA GLY A 95 4.048 7.235 25.271 1.00 12.820 H ATOM 1511 N SER A 96 3.981 6.034 22.759 1.00 10.140 N ATOM 1512 CA SER A 96 3.636 5.039 21.762 1.00 9.920 C ATOM 1513 C SER A 96 4.773 4.048 21.609 1.00 9.330 C ATOM 1514 O SER A 96 5.940 4.440 21.568 1.00 9.090 O ATOM 1515 CB SER A 96 3.382 5.713 20.434 1.00 13.980 C ATOM 1516 OG SER A 96 3.043 4.782 19.449 1.00 13.980 O ATOM 1517 H SER A 96 4.961 6.182 22.964 1.00 12.170 H ATOM 1518 HA SER A 96 2.742 4.504 22.084 1.00 11.900 H ATOM 1519 1HB SER A 96 2.576 6.439 20.549 1.00 16.770 H ATOM 1520 2HB SER A 96 4.275 6.260 20.125 1.00 16.770 H ATOM 1521 HG SER A 96 3.849 4.250 19.283 1.00 16.770 H ATOM 1522 N THR A 97 4.430 2.772 21.522 1.00 9.340 N ATOM 1523 CA THR A 97 5.401 1.710 21.317 1.00 9.060 C ATOM 1524 C THR A 97 6.139 1.893 19.991 1.00 8.790 C ATOM 1525 O THR A 97 5.506 2.068 18.948 1.00 8.870 O ATOM 1526 CB THR A 97 4.683 0.338 21.341 1.00 12.800 C ATOM 1527 OG1 THR A 97 3.993 0.180 22.591 1.00 12.800 O ATOM 1528 CG2 THR A 97 5.681 -0.784 21.202 1.00 12.800 C ATOM 1529 H THR A 97 3.459 2.515 21.605 1.00 11.210 H ATOM 1530 HA THR A 97 6.134 1.743 22.123 1.00 10.870 H ATOM 1531 HB THR A 97 3.964 0.289 20.523 1.00 15.360 H ATOM 1532 HG1 THR A 97 3.444 -0.611 22.562 1.00 15.360 H ATOM 1533 1HG2 THR A 97 5.159 -1.739 21.225 1.00 15.360 H ATOM 1534 2HG2 THR A 97 6.205 -0.693 20.269 1.00 15.360 H ATOM 1535 3HG2 THR A 97 6.396 -0.740 22.021 1.00 15.360 H ATOM 1536 N THR A 98 7.470 1.816 20.033 1.00 8.730 N ATOM 1537 CA THR A 98 8.323 1.945 18.858 1.00 8.560 C ATOM 1538 C THR A 98 8.378 0.603 18.139 1.00 8.140 C ATOM 1539 O THR A 98 8.190 -0.416 18.792 1.00 8.380 O ATOM 1540 CB THR A 98 9.739 2.334 19.348 1.00 12.050 C ATOM 1541 OG1 THR A 98 10.228 1.294 20.214 1.00 12.050 O ATOM 1542 CG2 THR A 98 9.695 3.640 20.105 1.00 12.050 C ATOM 1543 H THR A 98 7.921 1.671 20.925 1.00 10.480 H ATOM 1544 HA THR A 98 7.910 2.701 18.194 1.00 10.270 H ATOM 1545 HB THR A 98 10.418 2.442 18.527 1.00 14.460 H ATOM 1546 HG1 THR A 98 10.331 0.471 19.715 1.00 14.460 H ATOM 1547 1HG2 THR A 98 10.696 3.890 20.455 1.00 14.460 H ATOM 1548 2HG2 THR A 98 9.341 4.424 19.449 1.00 14.460 H ATOM 1549 3HG2 THR A 98 9.025 3.558 20.958 1.00 14.460 H ATOM 1550 N LEU A 99 8.770 0.530 16.851 1.00 7.800 N ATOM 1551 CA LEU A 99 9.172 1.620 15.959 1.00 7.190 C ATOM 1552 C LEU A 99 8.002 2.349 15.267 1.00 6.740 C ATOM 1553 O LEU A 99 8.122 3.525 14.910 1.00 6.610 O ATOM 1554 CB LEU A 99 10.138 1.008 14.930 1.00 10.310 C ATOM 1555 CG LEU A 99 10.909 1.923 13.972 1.00 10.310 C ATOM 1556 CD1 LEU A 99 11.787 2.909 14.745 1.00 10.310 C ATOM 1557 CD2 LEU A 99 11.788 1.026 13.054 1.00 10.310 C ATOM 1558 H LEU A 99 8.862 -0.400 16.472 1.00 9.360 H ATOM 1559 HA LEU A 99 9.704 2.358 16.532 1.00 8.630 H ATOM 1560 1HB LEU A 99 10.875 0.417 15.469 1.00 12.370 H ATOM 1561 2HB LEU A 99 9.559 0.331 14.304 1.00 12.370 H ATOM 1562 HG LEU A 99 10.219 2.490 13.384 1.00 12.370 H ATOM 1563 1HD1 LEU A 99 12.328 3.537 14.036 1.00 12.370 H ATOM 1564 2HD1 LEU A 99 11.179 3.547 15.379 1.00 12.370 H ATOM 1565 3HD1 LEU A 99 12.501 2.361 15.358 1.00 12.370 H ATOM 1566 1HD2 LEU A 99 12.339 1.654 12.364 1.00 12.370 H ATOM 1567 2HD2 LEU A 99 12.492 0.454 13.661 1.00 12.370 H ATOM 1568 3HD2 LEU A 99 11.163 0.334 12.494 1.00 12.370 H ATOM 1569 N TYR A 100 6.861 1.680 15.076 1.00 6.800 N ATOM 1570 CA TYR A 100 5.731 2.306 14.369 1.00 6.740 C ATOM 1571 C TYR A 100 4.942 3.189 15.325 1.00 6.480 C ATOM 1572 O TYR A 100 3.840 2.846 15.767 1.00 6.950 O ATOM 1573 CB TYR A 100 4.810 1.246 13.734 1.00 9.460 C ATOM 1574 CG TYR A 100 3.766 1.755 12.671 1.00 9.460 C ATOM 1575 CD1 TYR A 100 4.182 2.229 11.427 1.00 9.460 C ATOM 1576 CD2 TYR A 100 2.402 1.708 12.943 1.00 9.460 C ATOM 1577 CE1 TYR A 100 3.252 2.644 10.484 1.00 9.460 C ATOM 1578 CE2 TYR A 100 1.488 2.127 12.006 1.00 9.460 C ATOM 1579 CZ TYR A 100 1.899 2.591 10.788 1.00 9.460 C ATOM 1580 OH TYR A 100 0.962 2.999 9.873 1.00 9.460 O ATOM 1581 H TYR A 100 6.775 0.728 15.400 1.00 8.160 H ATOM 1582 HA TYR A 100 6.123 2.946 13.580 1.00 8.090 H ATOM 1583 1HB TYR A 100 5.406 0.512 13.267 1.00 11.350 H ATOM 1584 2HB TYR A 100 4.266 0.732 14.516 1.00 11.350 H ATOM 1585 HD1 TYR A 100 5.228 2.271 11.195 1.00 11.350 H ATOM 1586 HD2 TYR A 100 2.050 1.342 13.894 1.00 11.350 H ATOM 1587 HE1 TYR A 100 3.584 3.013 9.514 1.00 11.350 H ATOM 1588 HE2 TYR A 100 0.436 2.088 12.237 1.00 11.350 H ATOM 1589 HH TYR A 100 1.399 3.307 9.074 1.00 11.350 H ATOM 1590 N ASN A 101 5.541 4.331 15.638 1.00 6.060 N ATOM 1591 CA ASN A 101 4.992 5.296 16.580 1.00 5.860 C ATOM 1592 C ASN A 101 3.751 5.963 16.044 1.00 5.610 C ATOM 1593 O ASN A 101 3.637 6.211 14.837 1.00 5.920 O ATOM 1594 CB ASN A 101 5.964 6.408 16.880 1.00 8.280 C ATOM 1595 CG ASN A 101 7.149 6.025 17.622 1.00 8.280 C ATOM 1596 OD1 ASN A 101 7.185 5.057 18.373 1.00 8.280 O ATOM 1597 ND2 ASN A 101 8.167 6.816 17.420 1.00 8.280 N ATOM 1598 H ASN A 101 6.469 4.471 15.229 1.00 7.270 H ATOM 1599 HA ASN A 101 4.729 4.772 17.498 1.00 7.030 H ATOM 1600 1HB ASN A 101 6.283 6.841 15.935 1.00 9.940 H ATOM 1601 2HB ASN A 101 5.447 7.197 17.430 1.00 9.940 H ATOM 1602 1HD2 ASN A 101 9.041 6.666 17.874 1.00 9.940 H ATOM 1603 2HD2 ASN A 101 8.053 7.608 16.778 1.00 9.940 H ATOM 1604 N CYS A 102 2.853 6.310 16.954 1.00 5.340 N ATOM 1605 CA CYS A 102 1.673 7.092 16.631 1.00 5.060 C ATOM 1606 C CYS A 102 2.124 8.490 16.213 1.00 4.730 C ATOM 1607 O CYS A 102 2.995 9.084 16.858 1.00 4.870 O ATOM 1608 CB CYS A 102 0.771 7.192 17.851 1.00 7.200 C ATOM 1609 SG CYS A 102 0.164 5.608 18.406 1.00 7.200 S ATOM 1610 H CYS A 102 3.010 6.009 17.911 1.00 6.410 H ATOM 1611 HA CYS A 102 1.138 6.619 15.807 1.00 6.070 H ATOM 1612 1HB CYS A 102 1.317 7.654 18.674 1.00 8.640 H ATOM 1613 2HB CYS A 102 -0.085 7.826 17.625 1.00 8.640 H ATOM 1614 HG CYS A 102 1.362 5.120 18.792 1.00 8.640 H ATOM 1615 N SER A 103 1.542 9.014 15.142 1.00 4.550 N ATOM 1616 CA SER A 103 1.898 10.339 14.657 1.00 4.460 C ATOM 1617 C SER A 103 0.788 10.931 13.794 1.00 4.210 C ATOM 1618 O SER A 103 -0.169 10.241 13.456 1.00 4.760 O ATOM 1619 CB SER A 103 3.231 10.287 13.919 1.00 6.280 C ATOM 1620 OG SER A 103 3.162 9.563 12.742 1.00 6.280 O ATOM 1621 H SER A 103 0.841 8.482 14.651 1.00 5.460 H ATOM 1622 HA SER A 103 2.017 10.984 15.522 1.00 5.350 H ATOM 1623 1HB SER A 103 3.558 11.274 13.682 1.00 7.540 H ATOM 1624 2HB SER A 103 3.992 9.852 14.565 1.00 7.540 H ATOM 1625 HG SER A 103 4.009 9.774 12.298 1.00 7.540 H ATOM 1626 N THR A 104 0.892 12.223 13.500 1.00 3.760 N ATOM 1627 CA THR A 104 -0.068 12.983 12.693 1.00 3.860 C ATOM 1628 C THR A 104 0.561 13.964 11.682 1.00 3.190 C ATOM 1629 O THR A 104 1.757 13.881 11.331 1.00 3.290 O ATOM 1630 CB THR A 104 -1.095 13.702 13.600 1.00 5.360 C ATOM 1631 OG1 THR A 104 -2.141 14.284 12.812 1.00 5.360 O ATOM 1632 CG2 THR A 104 -0.458 14.717 14.487 1.00 5.360 C ATOM 1633 H THR A 104 1.694 12.704 13.857 1.00 4.510 H ATOM 1634 HA THR A 104 -0.649 12.263 12.123 1.00 4.630 H ATOM 1635 HB THR A 104 -1.548 12.983 14.194 1.00 6.440 H ATOM 1636 HG1 THR A 104 -2.971 14.322 13.376 1.00 6.440 H ATOM 1637 1HG2 THR A 104 -1.215 15.158 15.125 1.00 6.440 H ATOM 1638 2HG2 THR A 104 0.277 14.227 15.101 1.00 6.440 H ATOM 1639 3HG2 THR A 104 0.014 15.496 13.894 1.00 6.440 H ATOM 1640 N CYS A 105 -0.291 14.854 11.178 1.00 3.000 N ATOM 1641 CA CYS A 105 0.029 15.815 10.134 1.00 2.810 C ATOM 1642 C CYS A 105 -0.230 17.263 10.554 1.00 2.620 C ATOM 1643 O CYS A 105 -1.080 17.533 11.394 1.00 2.930 O ATOM 1644 CB CYS A 105 -0.795 15.499 8.906 1.00 4.010 C ATOM 1645 SG CYS A 105 -0.393 16.475 7.472 1.00 4.010 S ATOM 1646 H CYS A 105 -1.234 14.853 11.563 1.00 3.600 H ATOM 1647 HA CYS A 105 1.080 15.709 9.879 1.00 3.370 H ATOM 1648 1HB CYS A 105 -0.666 14.473 8.672 1.00 4.810 H ATOM 1649 2HB CYS A 105 -1.848 15.651 9.129 1.00 4.810 H ATOM 1650 HG CYS A 105 -1.653 16.505 6.969 1.00 4.810 H ATOM 1651 N LYS A 106 0.510 18.197 9.953 1.00 2.510 N ATOM 1652 CA LYS A 106 0.325 19.628 10.174 1.00 2.580 C ATOM 1653 C LYS A 106 -0.009 20.429 8.896 1.00 2.800 C ATOM 1654 O LYS A 106 -0.456 21.571 8.981 1.00 3.010 O ATOM 1655 CB LYS A 106 1.573 20.218 10.822 1.00 3.580 C ATOM 1656 CG LYS A 106 1.870 19.686 12.216 1.00 3.580 C ATOM 1657 CD LYS A 106 3.092 20.361 12.807 1.00 3.580 C ATOM 1658 CE LYS A 106 3.373 19.879 14.223 1.00 3.580 C ATOM 1659 NZ LYS A 106 4.562 20.570 14.815 1.00 3.580 N ATOM 1660 H LYS A 106 1.215 17.900 9.295 1.00 3.010 H ATOM 1661 HA LYS A 106 -0.514 19.758 10.861 1.00 3.100 H ATOM 1662 1HB LYS A 106 2.437 20.021 10.190 1.00 4.300 H ATOM 1663 2HB LYS A 106 1.462 21.298 10.892 1.00 4.300 H ATOM 1664 1HG LYS A 106 1.015 19.883 12.855 1.00 4.300 H ATOM 1665 2HG LYS A 106 2.029 18.610 12.183 1.00 4.300 H ATOM 1666 1HD LYS A 106 3.961 20.145 12.182 1.00 4.300 H ATOM 1667 2HD LYS A 106 2.937 21.440 12.824 1.00 4.300 H ATOM 1668 1HE LYS A 106 2.501 20.075 14.846 1.00 4.300 H ATOM 1669 2HE LYS A 106 3.560 18.804 14.205 1.00 4.300 H ATOM 1670 1HZ LYS A 106 4.721 20.233 15.754 1.00 4.300 H ATOM 1671 2HZ LYS A 106 5.380 20.386 14.248 1.00 4.300 H ATOM 1672 3HZ LYS A 106 4.392 21.566 14.844 1.00 4.300 H ATOM 1673 N GLY A 107 0.250 19.856 7.713 1.00 3.040 N ATOM 1674 CA GLY A 107 0.089 20.541 6.421 1.00 3.540 C ATOM 1675 C GLY A 107 -1.280 20.346 5.752 1.00 3.310 C ATOM 1676 O GLY A 107 -1.467 20.699 4.586 1.00 3.620 O ATOM 1677 H GLY A 107 0.599 18.911 7.686 1.00 3.650 H ATOM 1678 1HA GLY A 107 0.268 21.606 6.562 1.00 4.250 H ATOM 1679 2HA GLY A 107 0.865 20.187 5.743 1.00 4.250 H ATOM 1680 N THR A 108 -2.206 19.744 6.475 1.00 2.990 N ATOM 1681 CA THR A 108 -3.549 19.415 6.009 1.00 2.900 C ATOM 1682 C THR A 108 -4.559 19.943 7.009 1.00 2.320 C ATOM 1683 O THR A 108 -4.174 20.525 8.021 1.00 2.310 O ATOM 1684 CB THR A 108 -3.725 17.890 5.817 1.00 4.100 C ATOM 1685 OG1 THR A 108 -3.574 17.227 7.088 1.00 4.100 O ATOM 1686 CG2 THR A 108 -2.699 17.346 4.822 1.00 4.100 C ATOM 1687 H THR A 108 -1.974 19.505 7.429 1.00 3.590 H ATOM 1688 HA THR A 108 -3.731 19.909 5.053 1.00 3.480 H ATOM 1689 HB THR A 108 -4.726 17.689 5.433 1.00 4.920 H ATOM 1690 HG1 THR A 108 -4.272 17.508 7.688 1.00 4.920 H ATOM 1691 1HG2 THR A 108 -2.844 16.273 4.699 1.00 4.920 H ATOM 1692 2HG2 THR A 108 -2.833 17.844 3.863 1.00 4.920 H ATOM 1693 3HG2 THR A 108 -1.700 17.532 5.171 1.00 4.920 H ATOM 1694 N GLU A 109 -5.855 19.765 6.741 1.00 2.230 N ATOM 1695 CA GLU A 109 -6.897 20.176 7.684 1.00 2.020 C ATOM 1696 C GLU A 109 -6.718 19.390 8.986 1.00 1.840 C ATOM 1697 O GLU A 109 -6.816 19.931 10.093 1.00 2.290 O ATOM 1698 CB GLU A 109 -8.272 19.894 7.077 1.00 2.910 C ATOM 1699 CG GLU A 109 -8.581 20.697 5.795 1.00 2.910 C ATOM 1700 CD GLU A 109 -7.934 20.106 4.556 1.00 2.910 C ATOM 1701 OE1 GLU A 109 -7.308 19.068 4.680 1.00 2.910 O ATOM 1702 OE2 GLU A 109 -8.047 20.681 3.505 1.00 2.910 O ATOM 1703 H GLU A 109 -6.136 19.326 5.860 1.00 2.680 H ATOM 1704 HA GLU A 109 -6.789 21.239 7.889 1.00 2.420 H ATOM 1705 1HB GLU A 109 -8.366 18.831 6.857 1.00 3.490 H ATOM 1706 2HB GLU A 109 -9.041 20.145 7.811 1.00 3.490 H ATOM 1707 1HG GLU A 109 -9.660 20.733 5.651 1.00 3.490 H ATOM 1708 2HG GLU A 109 -8.228 21.719 5.931 1.00 3.490 H ATOM 1709 N VAL A 110 -6.369 18.108 8.776 1.00 1.750 N ATOM 1710 CA VAL A 110 -6.053 17.077 9.758 1.00 1.840 C ATOM 1711 C VAL A 110 -7.279 16.414 10.369 1.00 1.830 C ATOM 1712 O VAL A 110 -7.862 16.916 11.324 1.00 1.940 O ATOM 1713 CB VAL A 110 -5.143 17.617 10.893 1.00 2.540 C ATOM 1714 CG1 VAL A 110 -4.833 16.535 11.896 1.00 2.540 C ATOM 1715 CG2 VAL A 110 -3.867 18.145 10.332 1.00 2.540 C ATOM 1716 H VAL A 110 -6.362 17.833 7.806 1.00 2.100 H ATOM 1717 HA VAL A 110 -5.481 16.314 9.243 1.00 2.210 H ATOM 1718 HB VAL A 110 -5.657 18.398 11.431 1.00 3.050 H ATOM 1719 1HG1 VAL A 110 -4.204 16.945 12.668 1.00 3.050 H ATOM 1720 2HG1 VAL A 110 -5.716 16.172 12.344 1.00 3.050 H ATOM 1721 3HG1 VAL A 110 -4.311 15.725 11.411 1.00 3.050 H ATOM 1722 1HG2 VAL A 110 -3.264 18.527 11.148 1.00 3.050 H ATOM 1723 2HG2 VAL A 110 -3.330 17.362 9.820 1.00 3.050 H ATOM 1724 3HG2 VAL A 110 -4.065 18.927 9.670 1.00 3.050 H ATOM 1725 N SER A 111 -7.614 15.212 9.909 1.00 1.820 N ATOM 1726 CA SER A 111 -8.690 14.432 10.530 1.00 1.880 C ATOM 1727 C SER A 111 -8.103 13.702 11.746 1.00 1.900 C ATOM 1728 O SER A 111 -7.980 12.472 11.782 1.00 1.940 O ATOM 1729 CB SER A 111 -9.264 13.435 9.541 1.00 2.610 C ATOM 1730 OG SER A 111 -9.837 14.088 8.435 1.00 2.610 O ATOM 1731 H SER A 111 -7.135 14.828 9.110 1.00 2.180 H ATOM 1732 HA SER A 111 -9.478 15.108 10.870 1.00 2.260 H ATOM 1733 1HB SER A 111 -8.478 12.764 9.204 1.00 3.130 H ATOM 1734 2HB SER A 111 -10.020 12.827 10.038 1.00 3.130 H ATOM 1735 HG SER A 111 -10.191 13.395 7.869 1.00 3.130 H ATOM 1736 N CYS A 112 -7.683 14.501 12.715 1.00 1.970 N ATOM 1737 CA CYS A 112 -7.000 14.107 13.945 1.00 2.100 C ATOM 1738 C CYS A 112 -5.608 13.466 13.689 1.00 1.850 C ATOM 1739 O CYS A 112 -4.575 14.080 13.979 1.00 1.900 O ATOM 1740 CB CYS A 112 -7.898 13.167 14.751 1.00 2.890 C ATOM 1741 SG CYS A 112 -9.446 13.947 15.255 1.00 2.890 S ATOM 1742 H CYS A 112 -7.866 15.496 12.543 1.00 2.360 H ATOM 1743 HA CYS A 112 -6.851 15.009 14.540 1.00 2.520 H ATOM 1744 1HB CYS A 112 -8.133 12.259 14.207 1.00 3.470 H ATOM 1745 2HB CYS A 112 -7.384 12.879 15.648 1.00 3.470 H ATOM 1746 HG CYS A 112 -9.830 13.028 16.189 1.00 3.470 H ATOM 1747 N TRP A 113 -5.587 12.211 13.229 1.00 1.760 N ATOM 1748 CA TRP A 113 -4.339 11.455 12.990 1.00 1.620 C ATOM 1749 C TRP A 113 -4.307 10.780 11.584 1.00 1.570 C ATOM 1750 O TRP A 113 -4.063 9.587 11.521 1.00 1.700 O ATOM 1751 CB TRP A 113 -4.138 10.392 14.108 1.00 2.320 C ATOM 1752 CG TRP A 113 -4.124 10.978 15.560 1.00 2.320 C ATOM 1753 CD1 TRP A 113 -5.223 11.162 16.321 1.00 2.320 C ATOM 1754 CD2 TRP A 113 -3.004 11.421 16.400 1.00 2.320 C ATOM 1755 NE1 TRP A 113 -4.882 11.716 17.530 1.00 2.320 N ATOM 1756 CE2 TRP A 113 -3.546 11.894 17.585 1.00 2.320 C ATOM 1757 CE3 TRP A 113 -1.641 11.458 16.236 1.00 2.320 C ATOM 1758 CZ2 TRP A 113 -2.757 12.436 18.590 1.00 2.320 C ATOM 1759 CZ3 TRP A 113 -0.834 12.002 17.225 1.00 2.320 C ATOM 1760 CH2 TRP A 113 -1.385 12.491 18.368 1.00 2.320 C ATOM 1761 H TRP A 113 -6.491 11.813 12.968 1.00 2.110 H ATOM 1762 HA TRP A 113 -3.505 12.142 13.049 1.00 1.940 H ATOM 1763 1HB TRP A 113 -4.874 9.614 14.038 1.00 2.790 H ATOM 1764 2HB TRP A 113 -3.165 9.924 13.947 1.00 2.790 H ATOM 1765 HD1 TRP A 113 -6.231 10.923 16.012 1.00 2.790 H ATOM 1766 HE1 TRP A 113 -5.528 11.963 18.286 1.00 2.790 H ATOM 1767 HE3 TRP A 113 -1.235 11.080 15.349 1.00 2.790 H ATOM 1768 HZ2 TRP A 113 -3.179 12.821 19.524 1.00 2.790 H ATOM 1769 HZ3 TRP A 113 0.245 12.034 17.066 1.00 2.790 H ATOM 1770 HH2 TRP A 113 -0.745 12.921 19.135 1.00 2.790 H ATOM 1771 N PRO A 114 -4.641 11.469 10.459 1.00 1.570 N ATOM 1772 CA PRO A 114 -4.808 10.920 9.097 1.00 1.600 C ATOM 1773 C PRO A 114 -3.580 10.340 8.388 1.00 1.630 C ATOM 1774 O PRO A 114 -3.721 9.622 7.388 1.00 1.780 O ATOM 1775 CB PRO A 114 -5.241 12.152 8.304 1.00 2.400 C ATOM 1776 CG PRO A 114 -4.644 13.306 9.050 1.00 2.400 C ATOM 1777 CD PRO A 114 -4.714 12.925 10.500 1.00 2.400 C ATOM 1778 HA PRO A 114 -5.617 10.171 9.116 1.00 1.920 H ATOM 1779 1HB PRO A 114 -4.876 12.077 7.270 1.00 2.880 H ATOM 1780 2HB PRO A 114 -6.335 12.188 8.252 1.00 2.880 H ATOM 1781 1HG PRO A 114 -3.615 13.494 8.716 1.00 2.880 H ATOM 1782 2HG PRO A 114 -5.198 14.190 8.814 1.00 2.880 H ATOM 1783 1HD PRO A 114 -3.867 13.354 11.055 1.00 2.880 H ATOM 1784 2HD PRO A 114 -5.648 13.255 10.873 1.00 2.880 H ATOM 1785 N ARG A 115 -2.397 10.727 8.844 1.00 1.720 N ATOM 1786 CA ARG A 115 -1.158 10.314 8.218 1.00 2.010 C ATOM 1787 C ARG A 115 0.029 10.638 9.093 1.00 2.170 C ATOM 1788 O ARG A 115 -0.052 11.469 9.989 1.00 2.330 O ATOM 1789 CB ARG A 115 -0.995 10.976 6.857 1.00 2.700 C ATOM 1790 CG ARG A 115 -0.849 12.459 6.851 1.00 2.700 C ATOM 1791 CD ARG A 115 -0.858 13.007 5.476 1.00 2.700 C ATOM 1792 NE ARG A 115 -2.173 12.915 4.861 1.00 2.700 N ATOM 1793 CZ ARG A 115 -2.445 13.156 3.562 1.00 2.700 C ATOM 1794 NH1 ARG A 115 -1.485 13.501 2.726 1.00 2.700 N ATOM 1795 NH2 ARG A 115 -3.691 13.043 3.125 1.00 2.700 N ATOM 1796 H ARG A 115 -2.342 11.303 9.670 1.00 2.060 H ATOM 1797 HA ARG A 115 -1.186 9.235 8.074 1.00 2.410 H ATOM 1798 1HB ARG A 115 -0.124 10.558 6.358 1.00 3.240 H ATOM 1799 2HB ARG A 115 -1.859 10.760 6.249 1.00 3.240 H ATOM 1800 1HG ARG A 115 -1.690 12.888 7.380 1.00 3.240 H ATOM 1801 2HG ARG A 115 0.075 12.742 7.334 1.00 3.240 H ATOM 1802 1HD ARG A 115 -0.561 14.055 5.502 1.00 3.240 H ATOM 1803 2HD ARG A 115 -0.152 12.440 4.871 1.00 3.240 H ATOM 1804 HE ARG A 115 -2.951 12.667 5.457 1.00 3.240 H ATOM 1805 1HH1 ARG A 115 -0.535 13.591 3.049 1.00 3.240 H ATOM 1806 2HH1 ARG A 115 -1.700 13.678 1.755 1.00 3.240 H ATOM 1807 1HH2 ARG A 115 -4.428 12.778 3.764 1.00 3.240 H ATOM 1808 2HH2 ARG A 115 -3.908 13.223 2.155 1.00 3.240 H ATOM 1809 N LYS A 116 1.158 10.056 8.743 1.00 2.290 N ATOM 1810 CA LYS A 116 2.431 10.218 9.448 1.00 2.580 C ATOM 1811 C LYS A 116 3.358 11.353 8.958 1.00 2.470 C ATOM 1812 O LYS A 116 4.502 11.457 9.399 1.00 2.770 O ATOM 1813 CB LYS A 116 3.186 8.893 9.332 1.00 3.500 C ATOM 1814 CG LYS A 116 2.471 7.747 10.024 1.00 3.500 C ATOM 1815 CD LYS A 116 3.211 6.416 10.003 1.00 3.500 C ATOM 1816 CE LYS A 116 4.434 6.413 10.928 1.00 3.500 C ATOM 1817 NZ LYS A 116 4.078 6.562 12.369 1.00 3.500 N ATOM 1818 H LYS A 116 1.090 9.368 7.981 1.00 2.750 H ATOM 1819 HA LYS A 116 2.198 10.414 10.497 1.00 3.100 H ATOM 1820 1HB LYS A 116 3.287 8.635 8.280 1.00 4.200 H ATOM 1821 2HB LYS A 116 4.174 9.012 9.739 1.00 4.200 H ATOM 1822 1HG LYS A 116 2.300 8.033 11.037 1.00 4.200 H ATOM 1823 2HG LYS A 116 1.501 7.600 9.541 1.00 4.200 H ATOM 1824 1HD LYS A 116 2.523 5.628 10.318 1.00 4.200 H ATOM 1825 2HD LYS A 116 3.533 6.204 8.993 1.00 4.200 H ATOM 1826 1HE LYS A 116 4.964 5.471 10.801 1.00 4.200 H ATOM 1827 2HE LYS A 116 5.100 7.224 10.652 1.00 4.200 H ATOM 1828 1HZ LYS A 116 4.940 6.557 12.893 1.00 4.200 H ATOM 1829 2HZ LYS A 116 3.595 7.451 12.552 1.00 4.200 H ATOM 1830 3HZ LYS A 116 3.478 5.798 12.681 1.00 4.200 H ATOM 1831 N ARG A 117 2.887 12.165 8.030 1.00 2.800 N ATOM 1832 CA ARG A 117 3.678 13.208 7.362 1.00 3.030 C ATOM 1833 C ARG A 117 4.421 14.321 8.163 1.00 3.540 C ATOM 1834 O ARG A 117 5.442 14.810 7.665 1.00 4.250 O ATOM 1835 CB ARG A 117 2.799 13.877 6.306 1.00 4.150 C ATOM 1836 CG ARG A 117 3.460 14.990 5.468 1.00 4.150 C ATOM 1837 CD ARG A 117 4.579 14.471 4.601 1.00 4.150 C ATOM 1838 NE ARG A 117 5.237 15.542 3.879 1.00 4.150 N ATOM 1839 CZ ARG A 117 6.230 16.319 4.377 1.00 4.150 C ATOM 1840 NH1 ARG A 117 6.672 16.143 5.613 1.00 4.150 N ATOM 1841 NH2 ARG A 117 6.761 17.267 3.614 1.00 4.150 N ATOM 1842 H ARG A 117 1.928 12.027 7.745 1.00 3.360 H ATOM 1843 HA ARG A 117 4.449 12.671 6.817 1.00 3.640 H ATOM 1844 1HB ARG A 117 2.429 13.123 5.618 1.00 4.980 H ATOM 1845 2HB ARG A 117 1.937 14.326 6.799 1.00 4.980 H ATOM 1846 1HG ARG A 117 2.705 15.410 4.804 1.00 4.980 H ATOM 1847 2HG ARG A 117 3.841 15.774 6.080 1.00 4.980 H ATOM 1848 1HD ARG A 117 5.331 13.957 5.189 1.00 4.980 H ATOM 1849 2HD ARG A 117 4.176 13.770 3.871 1.00 4.980 H ATOM 1850 HE ARG A 117 4.936 15.714 2.930 1.00 4.980 H ATOM 1851 1HH1 ARG A 117 6.268 15.407 6.219 1.00 4.980 H ATOM 1852 2HH1 ARG A 117 7.412 16.720 5.976 1.00 4.980 H ATOM 1853 1HH2 ARG A 117 6.425 17.405 2.670 1.00 4.980 H ATOM 1854 2HH2 ARG A 117 7.501 17.852 3.974 1.00 4.980 H ATOM 1855 N CYS A 118 3.916 14.832 9.307 1.00 3.700 N ATOM 1856 CA CYS A 118 4.648 15.971 9.925 1.00 4.680 C ATOM 1857 C CYS A 118 5.083 15.859 11.393 1.00 4.950 C ATOM 1858 O CYS A 118 6.112 16.409 11.787 1.00 5.000 O ATOM 1859 CB CYS A 118 3.818 17.237 9.829 1.00 6.160 C ATOM 1860 SG CYS A 118 3.326 17.660 8.155 1.00 6.160 S ATOM 1861 H CYS A 118 3.091 14.433 9.763 1.00 4.440 H ATOM 1862 HA CYS A 118 5.554 16.132 9.348 1.00 5.620 H ATOM 1863 1HB CYS A 118 2.946 17.138 10.450 1.00 7.390 H ATOM 1864 2HB CYS A 118 4.403 18.068 10.225 1.00 7.390 H ATOM 1865 HG CYS A 118 4.401 17.107 7.582 1.00 7.390 H ATOM 1866 N PHE A 119 4.260 15.233 12.210 1.00 5.480 N ATOM 1867 CA PHE A 119 4.440 15.165 13.654 1.00 6.210 C ATOM 1868 C PHE A 119 5.788 14.503 14.027 1.00 6.720 C ATOM 1869 O PHE A 119 6.108 13.461 13.449 1.00 7.030 O ATOM 1870 CB PHE A 119 3.279 14.381 14.197 1.00 8.400 C ATOM 1871 CG PHE A 119 3.160 14.213 15.647 1.00 8.400 C ATOM 1872 CD1 PHE A 119 2.575 15.190 16.425 1.00 8.400 C ATOM 1873 CD2 PHE A 119 3.614 13.067 16.247 1.00 8.400 C ATOM 1874 CE1 PHE A 119 2.451 15.007 17.766 1.00 8.400 C ATOM 1875 CE2 PHE A 119 3.489 12.877 17.582 1.00 8.400 C ATOM 1876 CZ PHE A 119 2.912 13.839 18.340 1.00 8.400 C ATOM 1877 H PHE A 119 3.438 14.778 11.810 1.00 6.580 H ATOM 1878 HA PHE A 119 4.367 16.177 14.027 1.00 7.450 H ATOM 1879 1HB PHE A 119 2.373 14.855 13.844 1.00 10.080 H ATOM 1880 2HB PHE A 119 3.334 13.426 13.746 1.00 10.080 H ATOM 1881 HD1 PHE A 119 2.203 16.105 15.959 1.00 10.080 H ATOM 1882 HD2 PHE A 119 4.075 12.296 15.640 1.00 10.080 H ATOM 1883 HE1 PHE A 119 1.983 15.782 18.376 1.00 10.080 H ATOM 1884 HE2 PHE A 119 3.846 11.952 18.052 1.00 10.080 H ATOM 1885 HZ PHE A 119 2.825 13.672 19.393 1.00 10.080 H ATOM 1886 N PRO A 120 6.552 15.030 15.019 1.00 7.110 N ATOM 1887 CA PRO A 120 7.844 14.540 15.499 1.00 7.880 C ATOM 1888 C PRO A 120 7.948 13.042 15.764 1.00 8.450 C ATOM 1889 O PRO A 120 9.022 12.475 15.624 1.00 8.960 O ATOM 1890 CB PRO A 120 8.027 15.322 16.799 1.00 11.820 C ATOM 1891 CG PRO A 120 7.307 16.612 16.566 1.00 11.820 C ATOM 1892 CD PRO A 120 6.101 16.253 15.741 1.00 11.820 C ATOM 1893 HA PRO A 120 8.615 14.838 14.763 1.00 9.460 H ATOM 1894 1HB PRO A 120 7.612 14.747 17.643 1.00 14.180 H ATOM 1895 2HB PRO A 120 9.098 15.461 17.006 1.00 14.180 H ATOM 1896 1HG PRO A 120 7.043 17.073 17.530 1.00 14.180 H ATOM 1897 2HG PRO A 120 7.973 17.320 16.047 1.00 14.180 H ATOM 1898 1HD PRO A 120 5.245 16.053 16.388 1.00 14.180 H ATOM 1899 2HD PRO A 120 5.942 17.091 15.049 1.00 14.180 H ATOM 1900 N GLY A 121 6.856 12.395 16.175 1.00 8.620 N ATOM 1901 CA GLY A 121 6.870 10.956 16.442 1.00 9.360 C ATOM 1902 C GLY A 121 7.266 10.080 15.230 1.00 9.850 C ATOM 1903 O GLY A 121 7.608 8.906 15.408 1.00 10.060 O ATOM 1904 H GLY A 121 5.990 12.886 16.340 1.00 10.340 H ATOM 1905 1HA GLY A 121 7.552 10.757 17.266 1.00 11.230 H ATOM 1906 2HA GLY A 121 5.878 10.652 16.782 1.00 11.230 H ATOM 1907 N SER A 122 7.238 10.637 14.009 1.00 10.260 N ATOM 1908 CA SER A 122 7.609 9.884 12.809 1.00 10.970 C ATOM 1909 C SER A 122 9.126 9.833 12.586 1.00 11.250 C ATOM 1910 O SER A 122 9.728 10.826 12.174 1.00 11.520 O ATOM 1911 OXT SER A 122 9.663 8.727 12.496 1.00 16.460 O ATOM 1912 CB SER A 122 6.938 10.473 11.576 1.00 14.380 C ATOM 1913 OG SER A 122 5.538 10.317 11.611 1.00 14.380 O ATOM 1914 H SER A 122 6.948 11.616 13.899 1.00 12.310 H ATOM 1915 HA SER A 122 7.254 8.861 12.931 1.00 13.160 H ATOM 1916 1HB SER A 122 7.180 11.536 11.516 1.00 17.260 H ATOM 1917 2HB SER A 122 7.339 10.000 10.679 1.00 17.260 H ATOM 1918 HG SER A 122 5.216 10.765 10.788 1.00 17.260 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE model02_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 -654.87 69.5196 493.422 -42.2168 11.6086 28.6073 238.305 -259.051 -0.88703 -6.93086 -191.966 -31.9534 -75.072 -7.99576 -13.0197 -9.23743 0 1.12202 6.28981 78.7801 77.3602 -15.1643 30.4128 -11.1681 34.2963 75.9934 -173.815 CYS:NtermProteinFull_1 -3.71577 0.22495 3.01498 -0.07609 0.00161 0.04136 1.22311 -1.3676 -0.04827 -0.16242 -0.91647 0.50222 0 0 0 0 0 0.03119 5e-05 0.5961 0 0 0 3.6196 0 0.15997 3.12852 VAL_2 -3.69585 0.24094 2.70371 -0.3148 0.22884 0.0718 1.33493 -1.49114 -0 -0 -0.54392 -0.07902 0 0 0 0 0 -0.05263 0.00111 0.18705 0 -0.13921 0 1.9342 -0.10901 0.22251 0.4995 PHE_3 -2.89837 0.47577 2.55892 -1.01018 0.07914 0.38156 0.71117 -1.27859 -0.04827 -0.16242 0.512 0.01958 0 0 0 0 0 0.02034 0.05257 0 1.79386 -0.50712 0 1.0402 -0.00506 0.14002 1.87513 CYS_4 -5.05707 0.4384 4.09853 -0.04471 3e-05 0.01871 1.80908 -2.11092 -0 -0 -1.44019 -0.37681 0 0 0 0 0 -0.04972 0.03303 0.35132 0 0.3972 0 3.6196 0.24494 0.20311 2.13454 ARG_5 -7.03834 0.47383 5.92373 -0.44276 0.03965 0.2182 2.58957 -2.81685 -0.00772 -0.05809 -2.44364 0.35064 0 0 0 0 0 -0.02631 0.05028 2.0648 0 -0.0442 0 -1.2888 0.05245 0.55782 -1.84575 LEU_6 -4.58898 0.74053 4.30518 -0.48113 0.27792 0.12185 2.13461 -2.15248 -0 -0 -2.35729 0.22037 0 0 0 0 0 0.8866 0.01537 0.54348 0 -0.23175 0 0.18072 1.00844 1.71543 2.33886 PRO_7 -6.31885 1.23177 5.17873 -0.06854 1e-05 0.04435 2.22495 -2.21633 -0 -0 -1.98435 0.65966 0 0 0 0 0 -0.01225 0.03713 0.09032 0 0.76694 0 -2.4119 1.68029 1.49798 0.3999 ALA_8 -4.95384 0.20107 4.1677 -0.02259 0 0 2.52734 -2.53623 -0 -0 -2.34541 -0.34037 0 0 0 0 0 -0.05158 0 0 0 -0.29626 0 1.8394 0.39102 0.36105 -1.05871 HIS_D_9 -4.96372 0.33137 5.03848 -0.36661 0.00917 0.44221 2.22143 -2.53649 -0 -0 -2.4 -0.39331 0 0 0 0 0 -0.00842 0.00501 0 2.56273 -0.04834 0 -0.45461 -0.23062 0.2488 -0.54293 ASP_10 -4.84324 0.1258 7.17094 -0.21029 0.00087 0.6861 3.53856 -3.06434 -0.01076 -0.09826 -5.54304 -0.11496 0 0 0 -1.57643 0 -0.01751 0.00083 0 3.2407 0.22851 0 -2.3716 -0.14474 0.24642 -2.75644 LEU_11 -10.1811 1.016 5.45065 -0.69738 0.19872 0.24289 3.86924 -3.8164 -0 -0 -2.33517 0.15186 0 0 0 0 0 0.01383 0.01177 0.8593 0 -0.22149 0 0.18072 -0.15241 0.46486 -4.94413 SER_12 -4.65218 0.18238 5.09819 -0.02772 0 0.06352 2.52119 -2.56112 -0.00926 -0.22005 -2.25199 -0.60736 0 0 0 0 0 0.01678 0.00359 0.69953 0 0.34727 0.60068 -0.77834 0.06733 0.39185 -1.11569 GLY_13 -3.82791 0.20602 4.69128 -5e-05 0 0 2.0991 -2.39856 -0 -0 -1.84177 -0.4061 0 0 0 0 0 -0.08984 0 0 0 0.16983 0 0.83697 0.69274 0.10279 0.23451 ARG_14 -7.27264 0.38137 7.88507 -0.62332 0.11113 0.34927 3.12004 -3.46744 -0.0091 -0.12503 -3.75652 0.2612 0 0 0 -0.68698 0 -0.00942 0.03288 2.52611 0 -0.07515 0 -1.2888 0.40015 0.18823 -2.05895 LEU_15 -10.1815 0.97434 4.67454 -0.47313 0.14411 0.11153 3.25259 -3.15078 -0 -0 -3.34674 0.20094 0 0 0 0 0 -0.00558 0.2141 0.44487 0 -0.25561 0 0.18072 -0.29379 0.37706 -7.13234 ALA_16 -4.59087 0.16928 4.24811 -0.02167 0 0 2.36336 -2.41704 -0 -0 -2.47967 -0.35074 0 0 0 0 0 0.01375 0 0 0 -0.2073 0 1.8394 -0.30087 0.33069 -1.40357 ARG_17 -5.80656 0.28135 6.74402 -0.76709 0.10559 0.51142 2.52512 -3.16704 -0.00304 -0.04016 -2.30486 0.30995 0 0 0 0 0 0.02166 0.02053 1.45033 0 -0.05231 0 -1.2888 -0.34094 0.24835 -1.55249 LEU_18 -7.66381 0.65913 5.22074 -0.45717 0.18644 0.11065 2.72916 -2.94699 -0.01405 -0.14186 -2.60933 0.18574 0 0 0 0 0 0.05358 0.04875 0.29473 0 -0.31023 0 0.18072 -0.33577 0.40507 -4.40453 CYS_19 -7.31462 0.74647 5.23741 -0.0495 0 0.01727 2.9589 -2.69653 -0 -0 -3.03407 -0.03687 0 0 0 0 0 0.08522 5e-05 0.28598 0 0.26266 0 3.6196 -0.02014 0.40117 0.463 SER_20 -3.72459 0.16363 4.69497 -0.02761 0 0.06423 2.33504 -2.26332 -0 -0 -2.23835 -0.58006 0 0 0 0 0 -0.00273 0.00214 0.74737 0 0.33011 0.60001 -0.77834 0.23445 0.19298 -0.25007 GLN_21 -4.92352 0.26502 5.32627 -0.26892 0.05711 0.21827 2.58728 -2.6931 -0.01405 -0.14186 -2.3371 -0.49404 0 0 0 0 0 0.08424 0.0708 0 2.74221 -0.09087 0 -0.18838 -0.04989 0.19839 0.34787 MET_22 -8.64595 0.46798 4.87573 -0.98022 0.18791 0.35245 2.56466 -2.6894 -0 -0 -2.25405 -0.48368 0 0 0 0 0 -0.00799 0.2778 3.56152 0 0.06717 0 0.60916 -0.08863 0.36287 -1.82266 GLU_23 -5.69325 0.2469 6.25466 -0.33005 0.04928 0.37835 2.62043 -3.02332 -0.00355 -0.02538 -2.97988 -0.63185 0 0 0 0 0 -0.01754 0.12671 0 3.37096 -0.16974 0 -2.7348 -0.17997 0.37291 -2.36913 ALA_24 -4.29757 0.26289 4.90524 -0.02154 0 0 2.61303 -2.55539 -0 -0 -2.10088 -0.3468 0 0 0 0 0 0.01447 0 0 0 -0.15475 0 1.8394 -0.33651 0.26157 0.08316 ARG_25 -6.28391 0.28999 6.80054 -0.90839 0.21285 0.57881 3.34142 -3.03284 -0.01715 -0.15849 -4.48616 0.16069 0 0 0 -1.02724 0 -0.01868 0.06135 2.67756 0 -0.02313 0 -1.2888 -0.17125 0.3361 -2.95674 GLN_26 -9.7285 1.27666 7.17401 -0.88457 0.21288 0.95823 4.13313 -3.91306 -0.01988 -0.16519 -3.74907 -0.91076 0 0 -0.76514 0 0 0.0291 0.01485 0 4.34104 -0.08431 0 -0.18838 -0.16926 0.55478 -1.88344 LYS_27 -5.29538 0.29557 5.14631 -0.42386 0.05876 0.23173 2.63046 -2.66657 -0 -0 -2.31221 -0.12001 0 0 0 0 0 -0.01028 0.02396 2.07385 0 0.05297 0 -1.5107 -0.20858 0.40429 -1.62967 GLU_28 -4.04981 0.16243 4.62913 -0.21845 0.02908 0.31423 1.63728 -2.25758 -0.01715 -0.15849 -1.08754 -0.62529 0 0 0 0 0 0.01562 0.03686 0 3.02187 -0.29805 0 -2.7348 -0.4193 0.20367 -1.81627 CYS_29 -5.14072 0.49748 4.30987 -0.04528 0 0.01416 2.30861 -2.17087 -0 -0 -2.4429 -0.03155 0 0 0 0 0 -0.01047 0.02846 0.36412 0 0.30014 0 3.6196 0.04904 0.29267 1.94234 GLY_30 -5.09639 0.8118 4.69812 -5e-05 0 0 2.51775 -2.60472 -0 -0 -2.39358 -0.42362 0 0 0 0 0 -0.07806 0 0 0 0.49272 0 0.83697 0.48587 0.41519 -0.338 ALA_31 -2.96505 0.24576 3.07075 -0.02455 7e-05 0 1.60014 -1.75189 -0.01334 -0.04903 -1.26422 -0.40601 0 0 0 0 0 -0.10817 0 0 0 -0.36399 0 1.8394 -0.20077 0.71045 0.31954 SER_32 -2.2223 0.73261 3.30685 -0.02223 0 0.05637 1.58285 -1.46111 -0 -0 -0.88339 -0.624 0 0 0 0 0 0.02442 0.00221 0.48257 0 0.26141 0.6 -0.77834 5.44209 2.30406 8.80408 PRO_33 -3.94172 0.78288 2.94138 -0.12333 0.13782 0.07991 0.68192 -1.29944 -0 -0 -0.04775 0.32815 0 0 0 0 0 0.00014 0.20814 1.18272 0 -0.90023 0 -2.4119 6.18854 2.26646 6.07369 ASP_34 -1.85234 0.2261 2.57151 -0.12852 0.05844 0.4077 1.01093 -1.20279 -0.02318 -0.13748 -1.52852 -0.88733 0 0 0 0 0 -0.00273 0.00014 0 2.54924 -0.58838 0 -2.3716 0.36655 0.77579 -0.75646 PHE_35 -8.32783 0.99632 2.17705 -0.50575 0.02344 0.20226 1.79555 -1.97628 -0 -0 -1.03791 0.2546 0 0 0 0 0 0.0891 0.00916 0 2.40052 -0.34805 0 1.0402 -0.18661 0.98601 -2.40823 SER_36 -1.6016 0.04923 1.82617 -0.02563 0 0.05883 0.70983 -0.88559 -0 -0 -0.6713 -0.6427 0 0 0 0 0 0.00098 0.04045 0.18458 0 -0.44365 0.60629 -0.77834 -0.35501 0.70561 -1.22186 ALA_37 -2.48871 0.11003 1.13979 -0.02273 0 0 0.67111 -0.85156 -0.00101 -0.00332 0.04336 -0.19582 0 0 0 0 0 0.01503 0 0 0 -0.04091 0 1.8394 -0.41699 0.15572 -0.04664 PHE_38 -9.96747 1.29501 3.82638 -0.68332 0.10621 0.18345 2.53243 -2.87796 -0 -0 -1.1375 -0.1929 0 0 -0.76514 0 0 -0.06132 0.00686 0 3.26203 -0.29113 0 1.0402 0.09049 0.81204 -2.82164 ALA_39 -4.0761 0.36827 3.54129 -0.02311 0 0 2.00512 -2.0033 -0.00101 -0.00332 -3.00288 -0.21296 0 0 0 0 0 -0.02576 0 0 0 -0.10843 0 1.8394 -0.10257 0.90045 -0.9049 LEU_40 -5.72319 0.39489 1.35112 -0.47145 0.20512 0.08845 1.06729 -1.28926 -0.01265 -0.13722 -0.20856 0.26548 0 0 0 0 0 0.07596 0.11581 2.40267 0 -0.27757 0 0.18072 -0.47383 0.29469 -2.15152 ASP_41 -6.03925 0.37593 8.86312 -0.25795 0.12956 0.83723 3.07865 -3.55281 -0.01265 -0.13722 -6.15408 -1.30958 0 0 -0.94091 -0.70735 0 0.09236 0.00074 0 2.99511 -0.60523 0 -2.3716 -0.24963 0.57508 -5.39049 GLU_42 -3.60043 0.10272 4.14779 -0.22526 0.02958 0.32411 1.75396 -2.03071 -0 -0 -1.27006 -0.62157 0 0 0 0 0 -0.06973 0.00154 0 3.08176 -0.36404 0 -2.7348 -0.49402 0.58883 -1.38034 VAL_43 -5.46496 0.458 5.9336 -0.30058 0.18144 0.06637 2.71533 -2.84746 -0 -0 -2.90259 -0.05849 0 0 -0.51991 0 0 -0.01328 0.00014 0.03186 0 -0.39537 0 1.9342 -0.28918 0.36352 -1.10735 SER_44 -4.56042 0.23534 5.90307 -0.03174 0.00013 0.02153 2.77342 -2.67431 -0 -0 -3.39567 0.01074 0 0 -0.421 -0.70735 0 0.07402 0.00044 0.53945 0 0.29041 1.81701 -0.77834 0.03744 0.32778 -0.53804 MET_45 -8.45708 0.66963 5.83105 -0.77095 0.25867 0.36215 2.96333 -3.00402 -0 -0 -2.53087 -0.1943 0 0 0 0 0 0.03994 0.01743 2.91672 0 0.08226 0 0.60916 0.04874 0.2987 -0.85943 ASN_46 -6.09557 0.2999 6.78196 -0.16908 0.01346 0.24367 2.99903 -3.20194 -0.00788 -0.19871 -2.29312 -0.33051 0 0 0 0 0 -0.03752 0.00045 0 1.4601 0.27142 0 -0.93687 0.06671 0.35084 -0.78368 LYS_47 -5.80795 0.37175 6.39383 -0.48369 0.13186 0.28498 2.90711 -2.90114 -0.04382 -0.28344 -2.97681 0.12977 0 0 0 0 0 0.04593 0.04786 2.24239 0 -0.04602 0 -1.5107 -0.1586 0.4573 -1.1994 VAL_48 -5.85073 0.51217 3.73976 -0.26707 0.1007 0.0445 2.63066 -2.60793 -0 -0 -1.76468 0.25803 0 0 0 0 0 -0.05104 0.00582 0.80878 0 0.01338 0 1.9342 -0.25478 0.68934 -0.05891 THR_49 -6.61432 0.72413 4.76374 -0.19879 0.12563 0.07279 2.37716 -2.74302 -0.01914 -0.30468 -1.95811 -0.09457 0 0 0 0 0 0.01658 0.06793 0.05678 0 -0.00096 2.28788 -1.0874 -0.01671 0.63816 -1.90691 GLU_50 -3.30412 0.11455 4.09742 -0.22194 0.0323 0.32087 1.34319 -1.81694 -0.04382 -0.28344 -0.69143 -0.59146 0 0 0 0 0 -0.02106 0.01374 0 3.07095 -0.24817 0 -2.7348 -0.10501 0.42728 -0.6419 LYS_51 -2.98673 0.1188 3.42905 -0.30987 0.02806 0.14091 1.29348 -1.45365 -0 -0 -0.82401 -0.00126 0 0 0 0 0 -0.03423 0.02055 1.90011 0 -0.0519 0 -1.5107 -0.17881 0.43501 0.0148 THR_52 -3.6074 0.4276 3.07686 -0.1647 0.06742 0.05783 1.65695 -1.79345 -0.02015 -0.07094 -0.75438 -0.44161 0 0 0 0 0 -0.0122 0.00124 0.2434 0 -0.12404 2.37392 -1.0874 0.0835 0.40147 0.31392 HIS_D_53 -4.9711 0.35809 3.07257 -0.39355 0.01157 0.43651 0.94925 -1.74529 -0.02068 -0.21439 -0.22566 -0.08315 0 0 0 0 0 -0.00119 0.01561 0 2.07639 -0.02827 0 -0.45461 -0.12602 0.26527 -1.07865 ARG_54 -4.7236 0.21156 4.02441 -1.13178 0.27407 0.6978 2.18088 -1.98895 -0.0091 -0.12503 -0.689 0.12206 0 0 0 -0.88945 0 -0.06364 0.08291 2.47031 0 -0.18892 0 -1.2888 -0.24511 0.31223 -0.96714 VAL_55 -7.49016 1.2198 2.27021 -0.33152 0.24277 0.07987 2.08643 -2.5098 -0.03625 -0.16521 -0.30696 -0.56153 0 0 0 0 0 -0.03266 0.00298 0.10611 0 0.25171 0 1.9342 0.34439 0.43949 -2.45611 LEU_56 -6.47253 0.73948 3.59328 -0.67043 0.2477 0.18598 2.05513 -2.2789 -0 -0 -0.96641 -0.04497 0 0 0 0 0 -0.05828 0.56042 1.60739 0 -0.24196 0 0.18072 0.20335 0.63553 -0.72449 ARG_57 -6.45323 0.82991 5.75072 -0.75949 0.1526 0.51917 2.21207 -2.91773 -0.02514 -0.22798 -1.73886 0.3201 0 0 0 0 0 -0.11687 0.04695 1.77651 0 -0.09153 0 -1.2888 -0.39473 0.67796 -1.72838 VAL_58 -7.06712 1.04896 3.74886 -0.2769 0.13195 0.04719 2.79 -2.57264 -0 -0 -2.01973 0.26377 0 0 0 0 0 -0.05076 0.05572 0.88333 0 0.05182 0 1.9342 -0.35177 0.68735 -0.69578 MET_59 -9.22489 1.25008 4.80341 -0.88878 0.35465 0.2201 2.3176 -2.55413 -0.0161 -0.09427 -1.46151 -0.08613 0 0 0 0 0 0.13022 0.7869 0.96552 0 -0.0099 0 0.60916 -0.15065 0.75691 -2.2918 GLU_60 -5.18663 0.1884 5.31951 -0.21598 0.03894 0.3127 2.07428 -2.60541 -0.0178 -0.16423 -1.73677 -0.61426 0 0 0 0 0 0.06137 0.00746 0 3.01426 -0.26648 0 -2.7348 -0.30192 0.54132 -2.28604 ILE_61 -6.46886 0.4349 4.74548 -0.49695 0.38942 0.10083 2.67442 -2.73056 -0 -0 -2.0865 -0.00265 0 0 0 0 0 -0.05456 0.06889 0.5474 0 -0.49536 0 0.73287 -0.2598 0.33869 -2.56235 LYS_62 -8.91357 1.09357 6.36708 -0.29419 0.02277 0.12631 2.15574 -2.84429 -4e-05 -0.00064 -0.81316 -0.02365 0 0 0 0 0 0.15061 0.17253 1.67715 0 -0.04458 0 -1.5107 -0.19355 0.44192 -2.43071 GLU_63 -5.01103 0.33628 6.16245 -0.32121 0.06426 0.3389 2.62356 -2.64069 -0.00168 -0.03 -3.1476 -0.5621 0 0 0 -1.02724 0 0.04797 0.02123 0 3.82441 -0.05417 0 -2.7348 -0.10621 0.40362 -1.81405 ALA_64 -2.94971 0.36264 3.31494 -0.0223 0 0 1.88657 -1.81394 -0 -0 -1.48957 -0.33003 0 0 -0.38406 0 0 -0.06801 0 0 0 -0.37004 0 1.8394 -0.17487 0.37478 0.17579 VAL_65 -5.52883 0.91168 3.3135 -0.39086 0.60889 0.09328 2.20661 -2.34057 -0 -0 -1.1044 -0.40905 0 0 0 0 0 -0.12952 0.06656 0.62162 0 0.41618 0 1.9342 -0.31585 0.76183 0.71526 SER_66 -2.79446 0.66593 3.48438 -0.03575 0.01148 0.02861 1.863 -1.65181 -0 -0 -1.20866 -0.44013 0 0 -0.38406 0 0 -0.0231 0.11172 0.09094 0 0.08988 1.85119 -0.77834 0.11038 0.81065 1.80185 SER_67 -4.5445 0.53781 4.21516 -0.03433 0.00286 0.06054 2.22129 -1.93266 -4e-05 -0.00064 -2.5465 -1.08954 0 0 -0.71608 0 0 0.07459 0.01446 0.25658 0 -0.31162 0.60929 -0.77834 -0.15741 0.53327 -3.58582 LEU_68 -7.5661 1.34173 3.3203 -0.50982 0.32028 0.14381 2.10254 -2.36607 -0.00748 -0.05007 -0.86739 0.23742 0 0 0 0 0 0.14673 0.04323 0.34807 0 -0.23931 0 0.18072 0.71925 1.95005 -0.75214 PRO_69 -3.87508 0.75394 3.01704 -0.06644 0 0.04131 1.23321 -1.36795 -0 -0 -1.30635 0.60839 0 0 0 0 0 -0.14531 0.00286 0.19362 0 -0.42146 0 -2.4119 1.07581 2.02974 -0.63859 SER_70 -4.36004 0.39995 4.82674 -0.02321 0 0.02123 2.31979 -2.30269 -0.01569 -0.23392 -1.76174 -0.28778 0 0 0 0 0 0.09434 0.00028 0.43669 0 0.34528 0.60823 -0.77834 0.2791 0.45878 0.027 TYR_71 -10.8005 0.87539 4.54967 -1.08029 0.09214 0.44806 3.63218 -3.19335 -0.01634 -0.13981 -1.41735 -0.30175 0 0 0 0 0 -0.00788 0.0361 0 1.87126 -0.40915 0.0296 1.2797 0.23162 0.36363 -3.95704 TRP_72 -12.3647 1.76957 4.59798 -0.97897 0.29183 0.41353 3.02812 -3.64507 -0 -0 -3.08955 -0.39425 0 0 0 0 0 0.04903 0.20738 0 2.67117 -0.04863 0 1.6906 -0.10116 0.55328 -5.3498 SER_73 -4.39302 0.22284 5.54664 -0.0259 0 0.06007 2.46128 -2.52334 -0.00748 -0.05007 -2.07423 -0.59545 0 0 0 0 0 -0.0088 0.016 0.65783 0 0.34384 0.60149 -0.77834 0.00537 0.42042 -0.12084 TRP_74 -9.08855 0.62584 6.25211 -0.93693 0.13546 0.29127 3.19246 -3.35501 -0 -0 -3.2774 -0.46927 0 0 -0.6007 0 0 0.01852 0.03672 0 2.00937 0.01036 0 1.6906 -0.00626 0.28536 -3.18607 LEU_75 -7.64493 0.69952 4.29193 -0.6809 0.15646 0.25083 2.60353 -2.69506 -0.01589 -0.10257 -1.64127 0.11723 0 0 0 0 0 -0.01791 0.06109 0.80259 0 -0.21142 0 0.18072 -0.14811 0.41339 -3.58077 ARG_76 -4.4128 0.22357 5.18434 -0.73925 0.15019 0.47719 1.94231 -2.32912 -0.00984 -0.08845 -2.88821 0.21994 0 0 0 0 0 -0.05888 0.35039 2.98387 0 -0.14372 0 -1.2888 -0.25723 0.41256 -0.27195 LYS_77 -3.11669 0.17141 3.92919 -0.34115 0.05748 0.19633 1.11204 -1.68474 -0.00595 -0.01746 -1.48486 -0.13379 0 0 0 0 0 -0.06911 0.00408 1.73862 0 -0.06024 0 -1.5107 -0.49841 0.47745 -1.23652 THR_78 -5.75876 0.68197 4.57007 -0.17291 0.09025 0.06319 2.24842 -2.24432 -0 -0 -2.98712 -0.23397 0 0 -0.41027 -0.48954 0 0.05072 0.00244 0.13685 0 -0.1115 2.29074 -1.0874 -0.21194 0.41598 -3.15709 LYS_79 -2.95226 0.20144 2.9631 -0.5471 0.09965 0.5064 0.51567 -1.3792 -0.02179 -0.11857 -1.95904 -0.06957 0 0 0 0 0 0.02161 0.01987 2.16237 0 0.00115 0 -1.5107 -0.02146 0.32127 -1.76718 LEU_80 -6.89178 0.9417 1.2188 -0.46204 0.1426 0.09895 0.92715 -1.36754 -0.0003 -0.0072 -0.07243 0.04834 0 0 0 0 0 -0.00187 0.07937 0.70078 0 -0.25784 0 0.18072 -0.07555 1.1531 -3.64504 PRO_81 -5.37971 0.86418 4.22061 -0.11089 0.00169 0.08253 2.45191 -1.85584 -0 -0 -3.20331 0.27924 0 0 0 0 0 -0.08484 0.05756 0.13514 0 -1.04504 0 -2.4119 -0.39314 1.21458 -5.17724 GLU_82 -3.48525 0.24738 2.99839 -0.58191 0.31002 1.5882 0.53386 -1.37123 -0.0234 -0.1574 -0.75729 -3.08505 0 0 0 0 0 -0.19637 0.04504 0 3.1505 -0.20921 0 -2.7348 -0.09711 0.46975 -3.35588 TYR_83 -4.18774 0.76862 2.31567 -0.99709 0.13917 0.52554 0.45801 -1.38101 -0 -0 0.09633 -0.55271 0 0 0 0 0 -0.02438 0.00475 0 2.62529 -0.30936 0.00034 1.2797 0.25357 0.39522 1.40993 THR_84 -5.86509 1.01781 4.72169 -0.12064 0.09819 0.06819 2.7975 -2.42302 -0.0003 -0.0068 -0.96008 -0.85521 0 0 0 0 0 -0.04974 0.12771 0.19938 0 -0.66719 2.27587 -1.0874 -0.00196 0.62304 -0.10802 ARG_85 -6.02251 0.40593 5.34998 -0.58422 0.08532 0.35515 1.77686 -2.4444 -0.02311 -0.15026 -0.51938 0.45213 0 0 0 0 0 -0.01353 0.02623 2.09482 0 -0.04774 0 -1.2888 -0.03626 0.62536 0.04159 GLU_86 -2.61338 0.42301 2.5923 -0.22327 0.02807 0.32627 0.61035 -1.24158 -0 -0 -0.15951 -0.61401 0 0 0 0 0 -0.06056 0.0047 0 3.12363 -0.31614 0 -2.7348 -0.40817 0.27701 -0.98609 ALA_87 -2.26305 0.23109 2.11072 -0.02839 0.01417 0 1.37165 -1.20092 -0 -0 -1.35639 -0.45408 0 0 0 0 0 -0.00531 0 0 0 -0.30263 0 1.8394 0.73566 0.29044 0.98236 LEU_88 -6.1259 0.72379 3.2922 -0.61698 0.21944 0.17992 1.74022 -2.00943 -0.0144 -0.07172 -0.95504 0.22482 0 0 0 0 0 0.11198 0.05927 0.75479 0 -0.17767 0 0.18072 1.34067 0.67798 -0.46536 CYS_89 -4.58377 0.5667 1.51127 -0.09195 0.0027 0.05071 0.44472 -0.91533 -0 -0 -0.41729 -0.13968 0 0 0 0 0 -0.05888 0.02466 0.44553 0 0.0967 0 3.6196 0.36052 1.23898 2.15519 PRO_90 -5.90959 1.01784 2.29095 -0.1925 0.00281 0.13637 1.06627 -0.97599 -0 -0 -0.76572 0.11163 0 0 0 0 0 -0.00627 0.00073 0.55766 0 -1.05739 0 -2.4119 -0.14938 1.38287 -4.9016 PRO_91 -1.76301 0.31908 1.40816 -0.12128 0.00063 0.08897 0.57774 -0.62975 -0 -0 -0.08015 0.26666 0 0 0 0 0 -0.06747 0.02502 0.09926 0 -1.23077 0 -2.4119 -0.37686 0.79122 -3.10447 ALA_92 -1.99134 0.20783 0.65134 -0.02458 0 0 0.26562 -0.67387 -0 -0 0.09712 -0.18012 0 0 0 0 0 0.0173 0 0 0 -0.16917 0 1.8394 -0.5351 0.27887 -0.21672 CYS_93 -5.46669 0.57988 1.37068 -0.04878 0.00053 0.01807 0.43453 -1.05983 -0 -0 0.21712 -0.16556 0 0 0 0 0 0.06732 0.00531 0.31098 0 0.23062 0 3.6196 -0.72562 0.32005 -0.2918 ARG_94 -1.64963 0.20371 1.4027 -1.7027 0.46457 1.8958 0.75045 -0.70928 -0 -0 0.37536 -2.05268 0 0 0 0 0 -0.01379 0.14405 3.14202 0 -0.19901 0 -1.2888 -0.5275 0.32554 0.56082 GLY_95 -1.93007 0.18437 2.14252 -0.00201 0 0 0.87068 -1.00675 -0 -0 -0.5267 -0.39138 0 0 -0.19043 0 0 -0.09268 0 0 0 -1.23015 0 0.83697 0.08704 0.2015 -1.04708 SER_96 -3.074 0.13839 2.7809 -0.03402 0.00329 0.04705 1.27597 -1.21481 -0.00953 -0.11574 -1.14213 -0.36472 0 0 -0.74601 0 0 -0.0244 0.00509 0.27437 0 -0.3238 1.90465 -0.77834 0.43569 0.14371 -0.81838 THR_97 -2.82966 0.17597 2.20254 -0.16706 0.07701 0.06076 0.98334 -1.2575 -0.01569 -0.23392 -0.86925 -0.14521 0 0 0 0 0 -0.06749 0.01004 0.05125 0 0.04266 2.31192 -1.0874 -0.06335 0.14734 -0.67371 THR_98 -3.20074 0.70909 1.62899 -0.13601 0.08461 0.09546 0.99051 -1.18091 -0 -0 0.18604 -0.80399 0 0 0 0 0 0.00182 0.03754 0.07808 0 -0.19927 2.3575 -1.0874 -0.42848 0.82111 -0.04607 LEU_99 -5.34752 0.70296 2.12816 -0.67761 0.21966 0.26686 1.00124 -1.39445 -9e-05 -0.00183 -0.15663 0.10362 0 0 0 0 0 -0.04955 0.05503 1.5505 0 -0.26098 0 0.18072 -0.33832 1.17102 -0.8472 TYR_100 -8.49692 0.66724 4.08529 -0.73587 0.04825 0.33324 1.91964 -2.27522 -0 -0 -0.6661 -0.46622 0 0 -0.71608 0 0 -0.00457 0.01336 0 2.6985 0.1404 0.0003 1.2797 0.1311 0.72915 -1.31481 ASN_101 -5.16832 0.49176 5.90617 -0.17898 0.00931 0.26124 2.6176 -2.82778 -0.01198 -0.1316 -3.76445 -0.28167 0 0 -0.9282 0 0 0.11599 0.00325 0 1.87513 0.24574 0 -0.93687 0.15776 0.67219 -1.87369 CYS_102 -5.16444 0.45266 2.49017 -0.05791 0.00036 0.01818 1.00246 -1.20366 -0 -0 -1.41441 0.07732 0 0 -0.74601 0 0 -0.04033 0.0566 0.43791 0 0.10702 0 3.6196 -0.40293 0.46147 -0.30595 SER_103 -5.97682 1.00267 4.53971 -0.02196 0 0.05292 2.28343 -2.27405 -0.01069 -0.06769 -1.05847 -0.26173 0 0 0 -0.81816 0 0.06289 0.00143 0.03358 0 -0.55895 0.67669 -0.77834 -0.47733 0.32897 -3.3219 THR_104 -7.93292 1.24581 4.88162 -0.15619 0.06605 0.05562 3.4445 -2.74444 -0.02651 -0.26276 -4.10397 -1.00137 0 0 -0.61265 0 0 0.01037 0.04167 0.51859 0 -0.66779 2.43115 -1.0874 0.22063 0.84433 -4.83563 CYS_105 -7.42038 0.75843 3.24761 -0.05221 0 0.03362 1.54682 -1.6835 -0 -0 -0.78609 -0.30343 0 0 0 0 0 0.00486 0.06791 1.70133 0 0.00376 0 3.6196 0.50315 0.85071 2.0922 LYS_106 -4.12528 0.38424 2.32358 -0.31224 0.03883 0.17028 0.89999 -0.99029 -0 -0 0.95387 -0.21745 0 0 0 0 0 -0.05791 0.02776 1.77692 0 -0.12601 0 -1.5107 0.24228 0.38165 -0.14045 GLY_107 -1.53007 0.10886 1.275 -6e-05 0 0 0.57265 -0.67316 -0 -0 0.09519 -0.36842 0 0 0 0 0 -0.09004 0 0 0 0.27776 0 0.83697 0.1296 0.30567 0.93995 THR_108 -4.45722 0.65486 3.64067 -0.10184 0.04485 0.06484 1.37549 -1.8913 -0 -0 -0.42554 -0.38992 0 0 0 0 0 0.00949 0.0488 0.21834 0 -0.7694 2.37442 -1.0874 -0.07612 0.27617 -0.49081 GLU_109 -3.9576 0.42046 3.92517 -0.45722 0.29062 1.4602 1.6799 -1.97114 -0.02697 -0.12585 -1.15193 -3.09637 0 0 0 0 0 0.16036 0.0639 0 4.00992 -0.25872 0 -2.7348 -0.38579 0.6102 -1.54564 VAL_110 -7.67139 1.59843 3.48581 -0.29505 0.29933 0.07693 1.89199 -2.69579 -0.04097 -0.19038 0.13732 -0.66051 0 0 0 0 0 0.47159 0.05928 0.00388 0 0.58874 0 1.9342 5.23859 0.82392 5.05592 SER_111 -2.70864 0.39412 2.27387 -0.03151 0.00908 0.02872 1.03056 -1.08713 -0 -0 -0.95769 -0.21139 0 0 0 0 0 0.04137 0.00603 0.23662 0 0.30719 0.60074 -0.77834 6.04271 0.62713 5.82343 CYS_112 -7.32999 1.30912 3.13327 -0.02593 0 0.01179 1.57481 -1.84625 -6e-05 -0.00146 -3.25462 -0.38763 0 0 -0.61265 0 0 0.02126 0.06373 1.01115 0 0.08235 0 3.6196 6.0533 0.62659 4.0484 TRP_113 -11.6193 1.86331 4.52811 -0.74889 0.04288 0.42237 3.04507 -3.11641 -0 -0 -0.99517 -0.33043 0 0 0 -0.48954 0 0.34867 0.21874 0 2.38507 0.33192 0 1.6906 6.49313 1.65132 5.72143 PRO_114 -6.04985 0.93039 3.78076 -0.0959 0.00365 0.05918 1.56132 -1.5614 -0 -0 -0.27231 0.71614 0 0 0 0 0 -0.05481 0.06657 0.47747 0 -0.24347 0 -2.4119 0.73179 1.81604 -0.54634 ARG_115 -7.61229 1.0272 4.83083 -0.79289 0.13823 0.56907 2.00056 -2.45474 -0.01646 -0.15759 -0.11221 0.14134 0 0 0 0 0 0.1273 0.02494 2.25058 0 -0.05058 0 -1.2888 -0.03374 0.76043 -0.64879 LYS_116 -8.33338 0.6103 8.76258 -0.58054 0.28601 0.3657 3.21073 -3.62986 -0.00833 -0.05366 -3.96408 0.21243 0 0 -0.81612 -0.40643 0 0.22315 0.0951 2.46874 0 -0.0265 0 -1.5107 -0.0123 0.77132 -2.33587 ARG_117 -5.05649 0.34659 4.10341 -1.70089 0.63337 1.99593 0.66403 -1.63946 -0 -0 0.04142 -2.18784 0 0 0 0 0 0.02038 0.06901 3.15775 0 -0.19841 0 -1.2888 -0.39992 1.7686 0.32868 CYS_118 -5.30145 0.49148 3.28871 -0.04821 0.00043 0.01811 1.53789 -1.42054 -0 -0 -1.03885 -0.5898 0 0 0 0 0 0.01247 0.04239 0.15281 0 -0.05848 0 3.6196 0.38351 1.83203 2.92208 PHE_119 -8.2418 1.54421 3.68477 -0.72507 0.03296 0.07744 3.08033 -2.4579 -0.01006 -0.10517 -0.86732 -0.31742 0 0 0 0 0 -0.06669 0.00366 0 2.13218 0.14068 0 1.0402 0.44643 1.65867 1.05012 PRO_120 -2.45082 0.65372 1.55176 -0.07133 0 0.04413 0.57908 -0.69695 -0 -0 1.00513 0.58476 0 0 0 0 0 -0.17065 0.05403 0.19246 0 -0.81103 0 -2.4119 0.10203 1.42439 -0.42118 GLY_121 -2.52168 0.27497 2.55743 -4e-05 0 0 1.4956 -1.28265 -0 -0 -0.88435 -0.40336 0 0 -0.9282 0 0 -0.1984 0 0 0 0.3244 0 0.83697 0.4311 0.47091 0.17271 SER:CtermProteinFull_122 -3.02848 0.25047 4.61245 -0.0393 0.00125 0.04489 2.08192 -1.8109 -0 -0 -2.15744 0.84028 0 0 -0.81612 -0.41173 0 0 0.02413 0.47369 0 0 0.60291 -0.77834 0.18264 0.34697 0.41929 #END_POSE_ENERGIES_TABLE model02_0001.pdb If you find results from this site helpful for your research, please cite one of our papers:
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