diff --git a/example-pdbs/rosetta_model.pdb b/example-pdbs/rosetta_model.pdb new file mode 100644 index 0000000..c6d9840 --- /dev/null +++ b/example-pdbs/rosetta_model.pdb @@ -0,0 +1,2134 @@ +HEADER 10-MAY-21 XXXX +EXPDTA THEORETICAL MODEL +REMARK 220 +REMARK 220 EXPERIMENTAL DETAILS +REMARK 220 EXPERIMENT TYPE : THEORETICAL MODELLING +REMARK 220 DATE OF DATA COLLECTION : 10-MAY-21 +REMARK 220 +REMARK 220 REMARK: MODEL GENERATED BY ROSETTA +REMARK 220 VERSION 2021.18.post.dev+2.koga.mydesign.1449d865d49 +ATOM 1 N GLY A 1 2.169 0.419 0.059 1.00 0.00 N +ATOM 2 CA GLY A 1 3.486 1.041 0.123 1.00 0.00 C +ATOM 3 C GLY A 1 3.594 2.204 -0.856 1.00 0.00 C +ATOM 4 O GLY A 1 4.371 3.135 -0.645 1.00 0.00 O +ATOM 5 1H GLY A 1 2.083 -0.546 -0.187 1.00 0.00 H +ATOM 6 2H GLY A 1 1.589 0.392 0.873 1.00 0.00 H +ATOM 7 3H GLY A 1 1.480 0.771 -0.574 1.00 0.00 H +ATOM 8 1HA GLY A 1 3.657 1.411 1.134 1.00 0.00 H +ATOM 9 2HA GLY A 1 4.243 0.298 -0.123 1.00 0.00 H +ATOM 10 N LYS A 2 2.809 2.143 -1.928 1.00 0.00 N +ATOM 11 CA LYS A 2 2.861 3.157 -2.970 1.00 0.00 C +ATOM 12 C LYS A 2 1.668 4.101 -2.881 1.00 0.00 C +ATOM 13 O LYS A 2 0.544 3.674 -2.619 1.00 0.00 O +ATOM 14 CB LYS A 2 2.912 2.502 -4.351 1.00 0.00 C +ATOM 15 CG LYS A 2 4.052 1.509 -4.535 1.00 0.00 C +ATOM 16 CD LYS A 2 5.406 2.182 -4.363 1.00 0.00 C +ATOM 17 CE LYS A 2 6.545 1.231 -4.697 1.00 0.00 C +ATOM 18 NZ LYS A 2 7.862 1.760 -4.251 1.00 0.00 N +ATOM 19 H LYS A 2 2.163 1.374 -2.019 1.00 0.00 H +ATOM 20 HA LYS A 2 3.736 3.800 -2.858 1.00 0.00 H +ATOM 21 1HB LYS A 2 1.960 1.992 -4.498 1.00 0.00 H +ATOM 22 2HB LYS A 2 3.010 3.304 -5.083 1.00 0.00 H +ATOM 23 1HG LYS A 2 3.943 0.716 -3.794 1.00 0.00 H +ATOM 24 2HG LYS A 2 3.983 1.082 -5.535 1.00 0.00 H +ATOM 25 1HD LYS A 2 5.449 3.049 -5.024 1.00 0.00 H +ATOM 26 2HD LYS A 2 5.501 2.512 -3.328 1.00 0.00 H +ATOM 27 1HE LYS A 2 6.351 0.279 -4.204 1.00 0.00 H +ATOM 28 2HE LYS A 2 6.560 1.083 -5.777 1.00 0.00 H +ATOM 29 1HZ LYS A 2 8.589 1.101 -4.491 1.00 0.00 H +ATOM 30 2HZ LYS A 2 8.043 2.643 -4.708 1.00 0.00 H +ATOM 31 3HZ LYS A 2 7.848 1.897 -3.250 1.00 0.00 H +ATOM 32 N VAL A 3 1.920 5.386 -3.101 1.00 0.00 N +ATOM 33 CA VAL A 3 0.864 6.393 -3.064 1.00 0.00 C +ATOM 34 C VAL A 3 1.132 7.512 -4.059 1.00 0.00 C +ATOM 35 O VAL A 3 2.281 7.878 -4.301 1.00 0.00 O +ATOM 36 CB VAL A 3 0.710 6.999 -1.656 1.00 0.00 C +ATOM 37 CG1 VAL A 3 1.998 7.687 -1.229 1.00 0.00 C +ATOM 38 CG2 VAL A 3 -0.452 7.980 -1.623 1.00 0.00 C +ATOM 39 H VAL A 3 2.866 5.678 -3.299 1.00 0.00 H +ATOM 40 HA VAL A 3 -0.097 5.971 -3.367 1.00 0.00 H +ATOM 41 HB VAL A 3 0.472 6.202 -0.951 1.00 0.00 H +ATOM 42 1HG1 VAL A 3 1.872 8.110 -0.232 1.00 0.00 H +ATOM 43 2HG1 VAL A 3 2.810 6.961 -1.214 1.00 0.00 H +ATOM 44 3HG1 VAL A 3 2.235 8.484 -1.933 1.00 0.00 H +ATOM 45 1HG2 VAL A 3 -0.547 8.398 -0.621 1.00 0.00 H +ATOM 46 2HG2 VAL A 3 -0.270 8.783 -2.336 1.00 0.00 H +ATOM 47 3HG2 VAL A 3 -1.374 7.461 -1.887 1.00 0.00 H +ATOM 48 N VAL A 4 0.064 8.049 -4.640 1.00 0.00 N +ATOM 49 CA VAL A 4 0.168 9.212 -5.515 1.00 0.00 C +ATOM 50 C VAL A 4 -0.785 10.317 -5.079 1.00 0.00 C +ATOM 51 O VAL A 4 -1.957 10.063 -4.804 1.00 0.00 O +ATOM 52 CB VAL A 4 -0.124 8.845 -6.981 1.00 0.00 C +ATOM 53 CG1 VAL A 4 0.076 10.054 -7.883 1.00 0.00 C +ATOM 54 CG2 VAL A 4 0.765 7.695 -7.430 1.00 0.00 C +ATOM 55 H VAL A 4 -0.845 7.643 -4.469 1.00 0.00 H +ATOM 56 HA VAL A 4 1.161 9.661 -5.457 1.00 0.00 H +ATOM 57 HB VAL A 4 -1.154 8.498 -7.061 1.00 0.00 H +ATOM 58 1HG1 VAL A 4 -0.135 9.776 -8.916 1.00 0.00 H +ATOM 59 2HG1 VAL A 4 -0.600 10.851 -7.578 1.00 0.00 H +ATOM 60 3HG1 VAL A 4 1.106 10.400 -7.805 1.00 0.00 H +ATOM 61 1HG2 VAL A 4 0.545 7.447 -8.468 1.00 0.00 H +ATOM 62 2HG2 VAL A 4 1.811 7.988 -7.340 1.00 0.00 H +ATOM 63 3HG2 VAL A 4 0.577 6.823 -6.802 1.00 0.00 H +ATOM 64 N PHE A 5 -0.276 11.542 -5.020 1.00 0.00 N +ATOM 65 CA PHE A 5 -1.088 12.691 -4.639 1.00 0.00 C +ATOM 66 C PHE A 5 -1.414 13.562 -5.845 1.00 0.00 C +ATOM 67 O PHE A 5 -0.517 14.015 -6.558 1.00 0.00 O +ATOM 68 CB PHE A 5 -0.373 13.520 -3.570 1.00 0.00 C +ATOM 69 CG PHE A 5 -1.156 14.714 -3.104 1.00 0.00 C +ATOM 70 CD1 PHE A 5 -2.377 14.555 -2.467 1.00 0.00 C +ATOM 71 CD2 PHE A 5 -0.673 15.999 -3.303 1.00 0.00 C +ATOM 72 CE1 PHE A 5 -3.099 15.653 -2.038 1.00 0.00 C +ATOM 73 CE2 PHE A 5 -1.392 17.098 -2.874 1.00 0.00 C +ATOM 74 CZ PHE A 5 -2.606 16.924 -2.241 1.00 0.00 C +ATOM 75 H PHE A 5 0.698 11.682 -5.246 1.00 0.00 H +ATOM 76 HA PHE A 5 -2.058 12.380 -4.247 1.00 0.00 H +ATOM 77 1HB PHE A 5 -0.181 12.910 -2.688 1.00 0.00 H +ATOM 78 2HB PHE A 5 0.571 13.899 -3.960 1.00 0.00 H +ATOM 79 HD1 PHE A 5 -2.766 13.549 -2.305 1.00 0.00 H +ATOM 80 HD2 PHE A 5 0.286 16.136 -3.803 1.00 0.00 H +ATOM 81 HE1 PHE A 5 -4.057 15.513 -1.539 1.00 0.00 H +ATOM 82 HE2 PHE A 5 -1.001 18.103 -3.036 1.00 0.00 H +ATOM 83 HZ PHE A 5 -3.174 17.790 -1.904 1.00 0.00 H +ATOM 84 N LEU A 6 -2.704 13.792 -6.072 1.00 0.00 N +ATOM 85 CA LEU A 6 -3.150 14.604 -7.198 1.00 0.00 C +ATOM 86 C LEU A 6 -3.593 15.986 -6.737 1.00 0.00 C +ATOM 87 O LEU A 6 -4.524 16.118 -5.943 1.00 0.00 O +ATOM 88 CB LEU A 6 -4.290 13.898 -7.943 1.00 0.00 C +ATOM 89 CG LEU A 6 -5.019 14.756 -8.985 1.00 0.00 C +ATOM 90 CD1 LEU A 6 -4.037 15.239 -10.043 1.00 0.00 C +ATOM 91 CD2 LEU A 6 -6.139 13.944 -9.619 1.00 0.00 C +ATOM 92 H LEU A 6 -3.392 13.397 -5.447 1.00 0.00 H +ATOM 93 HA LEU A 6 -2.336 14.789 -7.899 1.00 0.00 H +ATOM 94 1HB LEU A 6 -3.719 13.114 -8.438 1.00 0.00 H +ATOM 95 2HB LEU A 6 -5.004 13.447 -7.254 1.00 0.00 H +ATOM 96 HG LEU A 6 -5.474 15.593 -8.454 1.00 0.00 H +ATOM 97 1HD1 LEU A 6 -4.564 15.848 -10.778 1.00 0.00 H +ATOM 98 2HD1 LEU A 6 -3.258 15.837 -9.570 1.00 0.00 H +ATOM 99 3HD1 LEU A 6 -3.586 14.381 -10.539 1.00 0.00 H +ATOM 100 1HD2 LEU A 6 -6.657 14.555 -10.358 1.00 0.00 H +ATOM 101 2HD2 LEU A 6 -5.719 13.063 -10.105 1.00 0.00 H +ATOM 102 3HD2 LEU A 6 -6.844 13.632 -8.848 1.00 0.00 H +ATOM 103 N SER A 7 -2.923 17.016 -7.243 1.00 0.00 N +ATOM 104 CA SER A 7 -3.253 18.391 -6.893 1.00 0.00 C +ATOM 105 C SER A 7 -2.535 19.379 -7.803 1.00 0.00 C +ATOM 106 O SER A 7 -1.517 19.049 -8.414 1.00 0.00 O +ATOM 107 CB SER A 7 -2.903 18.659 -5.442 1.00 0.00 C +ATOM 108 OG SER A 7 -3.062 20.009 -5.102 1.00 0.00 O +ATOM 109 H SER A 7 -2.162 16.839 -7.886 1.00 0.00 H +ATOM 110 HA SER A 7 -4.314 18.594 -7.044 1.00 0.00 H +ATOM 111 1HB SER A 7 -3.553 18.054 -4.810 1.00 0.00 H +ATOM 112 2HB SER A 7 -1.865 18.372 -5.274 1.00 0.00 H +ATOM 113 HG SER A 7 -3.219 20.084 -4.158 1.00 0.00 H +ATOM 114 N ASP A 8 -3.069 20.593 -7.891 1.00 0.00 N +ATOM 115 CA ASP A 8 -2.423 21.662 -8.641 1.00 0.00 C +ATOM 116 C ASP A 8 -1.655 22.599 -7.719 1.00 0.00 C +ATOM 117 O ASP A 8 -0.824 23.385 -8.169 1.00 0.00 O +ATOM 118 CB ASP A 8 -3.457 22.451 -9.448 1.00 0.00 C +ATOM 119 CG ASP A 8 -4.172 21.639 -10.520 1.00 0.00 C +ATOM 120 OD1 ASP A 8 -3.505 20.968 -11.272 1.00 0.00 O +ATOM 121 OD2 ASP A 8 -5.377 21.571 -10.480 1.00 0.00 O +ATOM 122 H ASP A 8 -3.945 20.779 -7.424 1.00 0.00 H +ATOM 123 HA ASP A 8 -1.673 21.267 -9.329 1.00 0.00 H +ATOM 124 1HB ASP A 8 -4.194 22.962 -8.828 1.00 0.00 H +ATOM 125 2HB ASP A 8 -2.808 23.187 -9.923 1.00 0.00 H +ATOM 126 N ASP A 9 -1.941 22.510 -6.423 1.00 0.00 N +ATOM 127 CA ASP A 9 -1.331 23.399 -5.443 1.00 0.00 C +ATOM 128 C ASP A 9 0.027 22.873 -4.993 1.00 0.00 C +ATOM 129 O ASP A 9 0.112 21.870 -4.285 1.00 0.00 O +ATOM 130 CB ASP A 9 -2.253 23.577 -4.234 1.00 0.00 C +ATOM 131 CG ASP A 9 -1.768 24.603 -3.219 1.00 0.00 C +ATOM 132 OD1 ASP A 9 -0.613 24.561 -2.865 1.00 0.00 O +ATOM 133 OD2 ASP A 9 -2.506 25.513 -2.924 1.00 0.00 O +ATOM 134 H ASP A 9 -2.598 21.808 -6.112 1.00 0.00 H +ATOM 135 HA ASP A 9 -1.124 24.379 -5.870 1.00 0.00 H +ATOM 136 1HB ASP A 9 -3.286 23.795 -4.504 1.00 0.00 H +ATOM 137 2HB ASP A 9 -2.193 22.580 -3.798 1.00 0.00 H +ATOM 138 N GLN A 10 1.087 23.561 -5.407 1.00 0.00 N +ATOM 139 CA GLN A 10 2.445 23.095 -5.153 1.00 0.00 C +ATOM 140 C GLN A 10 2.761 23.095 -3.662 1.00 0.00 C +ATOM 141 O GLN A 10 3.436 22.198 -3.163 1.00 0.00 O +ATOM 142 CB GLN A 10 3.458 23.971 -5.896 1.00 0.00 C +ATOM 143 CG GLN A 10 3.440 23.800 -7.405 1.00 0.00 C +ATOM 144 CD GLN A 10 4.390 24.752 -8.107 1.00 0.00 C +ATOM 145 OE1 GLN A 10 5.014 25.607 -7.473 1.00 0.00 O +ATOM 146 NE2 GLN A 10 4.501 24.613 -9.423 1.00 0.00 N +ATOM 147 H GLN A 10 0.948 24.425 -5.910 1.00 0.00 H +ATOM 148 HA GLN A 10 2.575 22.058 -5.468 1.00 0.00 H +ATOM 149 1HB GLN A 10 3.228 25.005 -5.639 1.00 0.00 H +ATOM 150 2HB GLN A 10 4.442 23.711 -5.508 1.00 0.00 H +ATOM 151 1HG GLN A 10 3.523 22.827 -7.890 1.00 0.00 H +ATOM 152 2HG GLN A 10 2.424 24.177 -7.523 1.00 0.00 H +ATOM 153 1HE2 GLN A 10 5.113 25.213 -9.940 1.00 0.00 H +ATOM 154 2HE2 GLN A 10 3.975 23.907 -9.898 1.00 0.00 H +ATOM 155 N GLU A 11 2.265 24.107 -2.959 1.00 0.00 N +ATOM 156 CA GLU A 11 2.499 24.230 -1.526 1.00 0.00 C +ATOM 157 C GLU A 11 1.931 23.033 -0.772 1.00 0.00 C +ATOM 158 O GLU A 11 2.601 22.451 0.082 1.00 0.00 O +ATOM 159 CB GLU A 11 1.887 25.527 -0.993 1.00 0.00 C +ATOM 160 CG GLU A 11 2.133 25.776 0.488 1.00 0.00 C +ATOM 161 CD GLU A 11 1.569 27.101 0.921 1.00 0.00 C +ATOM 162 OE1 GLU A 11 1.010 27.785 0.097 1.00 0.00 O +ATOM 163 OE2 GLU A 11 1.598 27.381 2.096 1.00 0.00 O +ATOM 164 H GLU A 11 1.713 24.811 -3.432 1.00 0.00 H +ATOM 165 HA GLU A 11 3.563 24.227 -1.295 1.00 0.00 H +ATOM 166 1HB GLU A 11 2.316 26.344 -1.574 1.00 0.00 H +ATOM 167 2HB GLU A 11 0.814 25.473 -1.178 1.00 0.00 H +ATOM 168 1HG GLU A 11 1.741 24.989 1.132 1.00 0.00 H +ATOM 169 2HG GLU A 11 3.219 25.801 0.567 1.00 0.00 H +ATOM 170 N ILE A 12 0.693 22.672 -1.091 1.00 0.00 N +ATOM 171 CA ILE A 12 0.051 21.515 -0.480 1.00 0.00 C +ATOM 172 C ILE A 12 0.772 20.224 -0.849 1.00 0.00 C +ATOM 173 O ILE A 12 0.972 19.351 -0.004 1.00 0.00 O +ATOM 174 CB ILE A 12 -1.427 21.403 -0.898 1.00 0.00 C +ATOM 175 CG1 ILE A 12 -2.243 22.543 -0.281 1.00 0.00 C +ATOM 176 CG2 ILE A 12 -1.996 20.054 -0.487 1.00 0.00 C +ATOM 177 CD1 ILE A 12 -3.658 22.634 -0.806 1.00 0.00 C +ATOM 178 H ILE A 12 0.183 23.211 -1.776 1.00 0.00 H +ATOM 179 HA ILE A 12 0.101 21.561 0.610 1.00 0.00 H +ATOM 180 HB ILE A 12 -1.500 21.515 -1.979 1.00 0.00 H +ATOM 181 1HG1 ILE A 12 -2.265 22.380 0.796 1.00 0.00 H +ATOM 182 2HG1 ILE A 12 -1.716 23.472 -0.497 1.00 0.00 H +ATOM 183 1HG2 ILE A 12 -3.041 19.992 -0.789 1.00 0.00 H +ATOM 184 2HG2 ILE A 12 -1.431 19.259 -0.971 1.00 0.00 H +ATOM 185 3HG2 ILE A 12 -1.924 19.943 0.596 1.00 0.00 H +ATOM 186 1HD1 ILE A 12 -4.173 23.465 -0.324 1.00 0.00 H +ATOM 187 2HD1 ILE A 12 -3.637 22.798 -1.884 1.00 0.00 H +ATOM 188 3HD1 ILE A 12 -4.187 21.707 -0.591 1.00 0.00 H +ATOM 189 N ILE A 13 1.160 20.112 -2.115 1.00 0.00 N +ATOM 190 CA ILE A 13 1.886 18.941 -2.590 1.00 0.00 C +ATOM 191 C ILE A 13 3.155 18.711 -1.778 1.00 0.00 C +ATOM 192 O ILE A 13 3.455 17.584 -1.384 1.00 0.00 O +ATOM 193 CB ILE A 13 2.257 19.074 -4.079 1.00 0.00 C +ATOM 194 CG1 ILE A 13 1.002 18.996 -4.951 1.00 0.00 C +ATOM 195 CG2 ILE A 13 3.254 17.996 -4.476 1.00 0.00 C +ATOM 196 CD1 ILE A 13 1.221 19.444 -6.378 1.00 0.00 C +ATOM 197 H ILE A 13 0.946 20.855 -2.762 1.00 0.00 H +ATOM 198 HA ILE A 13 1.302 18.031 -2.458 1.00 0.00 H +ATOM 199 HB ILE A 13 2.697 20.056 -4.249 1.00 0.00 H +ATOM 200 1HG1 ILE A 13 0.665 17.960 -4.943 1.00 0.00 H +ATOM 201 2HG1 ILE A 13 0.244 19.626 -4.485 1.00 0.00 H +ATOM 202 1HG2 ILE A 13 3.505 18.104 -5.531 1.00 0.00 H +ATOM 203 2HG2 ILE A 13 4.157 18.096 -3.877 1.00 0.00 H +ATOM 204 3HG2 ILE A 13 2.814 17.013 -4.307 1.00 0.00 H +ATOM 205 1HD1 ILE A 13 0.287 19.361 -6.934 1.00 0.00 H +ATOM 206 2HD1 ILE A 13 1.556 20.482 -6.387 1.00 0.00 H +ATOM 207 3HD1 ILE A 13 1.977 18.815 -6.846 1.00 0.00 H +ATOM 208 N GLU A 14 3.895 19.785 -1.531 1.00 0.00 N +ATOM 209 CA GLU A 14 5.128 19.705 -0.757 1.00 0.00 C +ATOM 210 C GLU A 14 4.855 19.240 0.667 1.00 0.00 C +ATOM 211 O GLU A 14 5.573 18.394 1.204 1.00 0.00 O +ATOM 212 CB GLU A 14 5.840 21.060 -0.740 1.00 0.00 C +ATOM 213 CG GLU A 14 6.476 21.453 -2.066 1.00 0.00 C +ATOM 214 CD GLU A 14 6.985 22.867 -2.030 1.00 0.00 C +ATOM 215 OE1 GLU A 14 6.772 23.530 -1.043 1.00 0.00 O +ATOM 216 OE2 GLU A 14 7.684 23.249 -2.939 1.00 0.00 O +ATOM 217 H GLU A 14 3.596 20.682 -1.887 1.00 0.00 H +ATOM 218 HA GLU A 14 5.809 18.960 -1.171 1.00 0.00 H +ATOM 219 1HB GLU A 14 5.096 21.806 -0.460 1.00 0.00 H +ATOM 220 2HB GLU A 14 6.609 21.007 0.030 1.00 0.00 H +ATOM 221 1HG GLU A 14 7.281 20.786 -2.375 1.00 0.00 H +ATOM 222 2HG GLU A 14 5.654 21.381 -2.776 1.00 0.00 H +ATOM 223 N GLU A 15 3.814 19.797 1.277 1.00 0.00 N +ATOM 224 CA GLU A 15 3.451 19.448 2.645 1.00 0.00 C +ATOM 225 C GLU A 15 3.027 17.988 2.748 1.00 0.00 C +ATOM 226 O GLU A 15 3.314 17.315 3.737 1.00 0.00 O +ATOM 227 CB GLU A 15 2.330 20.359 3.151 1.00 0.00 C +ATOM 228 CG GLU A 15 2.761 21.793 3.423 1.00 0.00 C +ATOM 229 CD GLU A 15 3.911 21.843 4.390 1.00 0.00 C +ATOM 230 OE1 GLU A 15 3.817 21.234 5.428 1.00 0.00 O +ATOM 231 OE2 GLU A 15 4.927 22.399 4.044 1.00 0.00 O +ATOM 232 H GLU A 15 3.260 20.478 0.779 1.00 0.00 H +ATOM 233 HA GLU A 15 4.307 19.537 3.317 1.00 0.00 H +ATOM 234 1HB GLU A 15 1.549 20.354 2.390 1.00 0.00 H +ATOM 235 2HB GLU A 15 1.948 19.915 4.069 1.00 0.00 H +ATOM 236 1HG GLU A 15 3.021 22.347 2.522 1.00 0.00 H +ATOM 237 2HG GLU A 15 1.881 22.242 3.882 1.00 0.00 H +ATOM 238 N VAL A 16 2.338 17.504 1.720 1.00 0.00 N +ATOM 239 CA VAL A 16 1.914 16.109 1.667 1.00 0.00 C +ATOM 240 C VAL A 16 3.110 15.179 1.503 1.00 0.00 C +ATOM 241 O VAL A 16 3.170 14.115 2.119 1.00 0.00 O +ATOM 242 CB VAL A 16 0.921 15.861 0.516 1.00 0.00 C +ATOM 243 CG1 VAL A 16 0.686 14.370 0.326 1.00 0.00 C +ATOM 244 CG2 VAL A 16 -0.394 16.576 0.784 1.00 0.00 C +ATOM 245 H VAL A 16 2.101 18.118 0.951 1.00 0.00 H +ATOM 246 HA VAL A 16 1.449 15.803 2.603 1.00 0.00 H +ATOM 247 HB VAL A 16 1.330 16.285 -0.402 1.00 0.00 H +ATOM 248 1HG1 VAL A 16 -0.018 14.214 -0.492 1.00 0.00 H +ATOM 249 2HG1 VAL A 16 1.631 13.880 0.090 1.00 0.00 H +ATOM 250 3HG1 VAL A 16 0.276 13.947 1.243 1.00 0.00 H +ATOM 251 1HG2 VAL A 16 -1.084 16.392 -0.040 1.00 0.00 H +ATOM 252 2HG2 VAL A 16 -0.828 16.203 1.712 1.00 0.00 H +ATOM 253 3HG2 VAL A 16 -0.215 17.648 0.872 1.00 0.00 H +ATOM 254 N SER A 17 4.056 15.583 0.663 1.00 0.00 N +ATOM 255 CA SER A 17 5.282 14.818 0.464 1.00 0.00 C +ATOM 256 C SER A 17 6.057 14.674 1.766 1.00 0.00 C +ATOM 257 O SER A 17 6.636 13.621 2.041 1.00 0.00 O +ATOM 258 CB SER A 17 6.144 15.479 -0.594 1.00 0.00 C +ATOM 259 OG SER A 17 5.547 15.436 -1.861 1.00 0.00 O +ATOM 260 H SER A 17 3.924 16.443 0.149 1.00 0.00 H +ATOM 261 HA SER A 17 5.065 13.796 0.151 1.00 0.00 H +ATOM 262 1HB SER A 17 6.304 16.519 -0.313 1.00 0.00 H +ATOM 263 2HB SER A 17 7.102 14.963 -0.636 1.00 0.00 H +ATOM 264 HG SER A 17 6.123 15.863 -2.500 1.00 0.00 H +ATOM 265 N LYS A 18 6.064 15.733 2.568 1.00 0.00 N +ATOM 266 CA LYS A 18 6.713 15.706 3.872 1.00 0.00 C +ATOM 267 C LYS A 18 6.104 14.631 4.767 1.00 0.00 C +ATOM 268 O LYS A 18 6.821 13.855 5.399 1.00 0.00 O +ATOM 269 CB LYS A 18 6.614 17.074 4.548 1.00 0.00 C +ATOM 270 CG LYS A 18 7.463 18.160 3.900 1.00 0.00 C +ATOM 271 CD LYS A 18 7.244 19.508 4.569 1.00 0.00 C +ATOM 272 CE LYS A 18 8.030 20.608 3.871 1.00 0.00 C +ATOM 273 NZ LYS A 18 7.767 21.945 4.469 1.00 0.00 N +ATOM 274 H LYS A 18 5.608 16.582 2.263 1.00 0.00 H +ATOM 275 HA LYS A 18 7.767 15.430 3.786 1.00 0.00 H +ATOM 276 1HB LYS A 18 5.565 17.369 4.520 1.00 0.00 H +ATOM 277 2HB LYS A 18 6.925 16.943 5.585 1.00 0.00 H +ATOM 278 1HG LYS A 18 8.513 17.876 3.988 1.00 0.00 H +ATOM 279 2HG LYS A 18 7.193 18.227 2.847 1.00 0.00 H +ATOM 280 1HD LYS A 18 6.179 19.743 4.534 1.00 0.00 H +ATOM 281 2HD LYS A 18 7.564 19.437 5.608 1.00 0.00 H +ATOM 282 1HE LYS A 18 9.090 20.376 3.954 1.00 0.00 H +ATOM 283 2HE LYS A 18 7.741 20.618 2.820 1.00 0.00 H +ATOM 284 1HZ LYS A 18 8.305 22.645 3.978 1.00 0.00 H +ATOM 285 2HZ LYS A 18 6.782 22.161 4.391 1.00 0.00 H +ATOM 286 3HZ LYS A 18 8.033 21.936 5.442 1.00 0.00 H +ATOM 287 N LYS A 19 4.777 14.595 4.817 1.00 0.00 N +ATOM 288 CA LYS A 19 4.068 13.611 5.625 1.00 0.00 C +ATOM 289 C LYS A 19 4.302 12.199 5.106 1.00 0.00 C +ATOM 290 O LYS A 19 4.424 11.252 5.883 1.00 0.00 O +ATOM 291 CB LYS A 19 2.570 13.920 5.652 1.00 0.00 C +ATOM 292 CG LYS A 19 2.177 15.047 6.597 1.00 0.00 C +ATOM 293 CD LYS A 19 2.320 14.624 8.052 1.00 0.00 C +ATOM 294 CE LYS A 19 1.931 15.750 8.998 1.00 0.00 C +ATOM 295 NZ LYS A 19 2.016 15.334 10.424 1.00 0.00 N +ATOM 296 H LYS A 19 4.245 15.264 4.280 1.00 0.00 H +ATOM 297 HA LYS A 19 4.442 13.597 6.651 1.00 0.00 H +ATOM 298 1HB LYS A 19 2.280 14.182 4.634 1.00 0.00 H +ATOM 299 2HB LYS A 19 2.060 13.003 5.948 1.00 0.00 H +ATOM 300 1HG LYS A 19 2.822 15.904 6.402 1.00 0.00 H +ATOM 301 2HG LYS A 19 1.141 15.320 6.399 1.00 0.00 H +ATOM 302 1HD LYS A 19 1.676 13.761 8.228 1.00 0.00 H +ATOM 303 2HD LYS A 19 3.358 14.343 8.231 1.00 0.00 H +ATOM 304 1HE LYS A 19 2.602 16.590 8.824 1.00 0.00 H +ATOM 305 2HE LYS A 19 0.908 16.050 8.768 1.00 0.00 H +ATOM 306 1HZ LYS A 19 1.750 16.108 11.017 1.00 0.00 H +ATOM 307 2HZ LYS A 19 1.392 14.556 10.586 1.00 0.00 H +ATOM 308 3HZ LYS A 19 2.963 15.056 10.637 1.00 0.00 H +ATOM 309 N ALA A 20 4.361 12.063 3.788 1.00 0.00 N +ATOM 310 CA ALA A 20 4.589 10.767 3.160 1.00 0.00 C +ATOM 311 C ALA A 20 5.971 10.223 3.505 1.00 0.00 C +ATOM 312 O ALA A 20 6.138 9.024 3.734 1.00 0.00 O +ATOM 313 CB ALA A 20 4.419 10.873 1.652 1.00 0.00 C +ATOM 314 H ALA A 20 4.245 12.876 3.201 1.00 0.00 H +ATOM 315 HA ALA A 20 3.892 10.015 3.533 1.00 0.00 H +ATOM 316 1HB ALA A 20 4.591 9.897 1.198 1.00 0.00 H +ATOM 317 2HB ALA A 20 3.406 11.205 1.422 1.00 0.00 H +ATOM 318 3HB ALA A 20 5.135 11.589 1.254 1.00 0.00 H +ATOM 319 N GLU A 21 6.958 11.110 3.543 1.00 0.00 N +ATOM 320 CA GLU A 21 8.317 10.731 3.910 1.00 0.00 C +ATOM 321 C GLU A 21 8.408 10.372 5.387 1.00 0.00 C +ATOM 322 O GLU A 21 9.128 9.451 5.769 1.00 0.00 O +ATOM 323 CB GLU A 21 9.295 11.860 3.581 1.00 0.00 C +ATOM 324 CG GLU A 21 9.545 12.063 2.093 1.00 0.00 C +ATOM 325 CD GLU A 21 10.388 13.283 1.842 1.00 0.00 C +ATOM 326 OE1 GLU A 21 10.700 13.970 2.785 1.00 0.00 O +ATOM 327 OE2 GLU A 21 10.815 13.465 0.727 1.00 0.00 O +ATOM 328 H GLU A 21 6.761 12.075 3.311 1.00 0.00 H +ATOM 329 HA GLU A 21 8.634 9.830 3.384 1.00 0.00 H +ATOM 330 1HB GLU A 21 8.881 12.774 4.007 1.00 0.00 H +ATOM 331 2HB GLU A 21 10.236 11.621 4.077 1.00 0.00 H +ATOM 332 1HG GLU A 21 10.001 11.201 1.609 1.00 0.00 H +ATOM 333 2HG GLU A 21 8.547 12.222 1.686 1.00 0.00 H +ATOM 334 N GLU A 22 7.671 11.106 6.216 1.00 0.00 N +ATOM 335 CA GLU A 22 7.641 10.844 7.650 1.00 0.00 C +ATOM 336 C GLU A 22 7.007 9.492 7.949 1.00 0.00 C +ATOM 337 O GLU A 22 7.460 8.766 8.836 1.00 0.00 O +ATOM 338 CB GLU A 22 6.882 11.953 8.382 1.00 0.00 C +ATOM 339 CG GLU A 22 7.632 13.274 8.472 1.00 0.00 C +ATOM 340 CD GLU A 22 6.758 14.361 9.034 1.00 0.00 C +ATOM 341 OE1 GLU A 22 5.605 14.102 9.282 1.00 0.00 O +ATOM 342 OE2 GLU A 22 7.270 15.417 9.322 1.00 0.00 O +ATOM 343 H GLU A 22 7.121 11.865 5.842 1.00 0.00 H +ATOM 344 HA GLU A 22 8.649 10.777 8.061 1.00 0.00 H +ATOM 345 1HB GLU A 22 5.944 12.103 7.847 1.00 0.00 H +ATOM 346 2HB GLU A 22 6.673 11.586 9.387 1.00 0.00 H +ATOM 347 1HG GLU A 22 8.552 13.213 9.052 1.00 0.00 H +ATOM 348 2HG GLU A 22 7.873 13.503 7.434 1.00 0.00 H +ATOM 349 N GLU A 23 5.957 9.160 7.208 1.00 0.00 N +ATOM 350 CA GLU A 23 5.261 7.890 7.387 1.00 0.00 C +ATOM 351 C GLU A 23 6.058 6.737 6.793 1.00 0.00 C +ATOM 352 O GLU A 23 6.050 5.626 7.322 1.00 0.00 O +ATOM 353 CB GLU A 23 3.869 7.948 6.755 1.00 0.00 C +ATOM 354 CG GLU A 23 2.878 8.834 7.496 1.00 0.00 C +ATOM 355 CD GLU A 23 2.708 8.390 8.922 1.00 0.00 C +ATOM 356 OE1 GLU A 23 2.451 7.230 9.136 1.00 0.00 O +ATOM 357 OE2 GLU A 23 2.944 9.183 9.802 1.00 0.00 O +ATOM 358 H GLU A 23 5.630 9.804 6.500 1.00 0.00 H +ATOM 359 HA GLU A 23 5.156 7.644 8.443 1.00 0.00 H +ATOM 360 1HB GLU A 23 3.996 8.318 5.738 1.00 0.00 H +ATOM 361 2HB GLU A 23 3.490 6.926 6.726 1.00 0.00 H +ATOM 362 1HG GLU A 23 3.142 9.891 7.475 1.00 0.00 H +ATOM 363 2HG GLU A 23 1.945 8.683 6.955 1.00 0.00 H +ATOM 364 N GLY A 24 6.750 7.007 5.691 1.00 0.00 N +ATOM 365 CA GLY A 24 7.651 6.031 5.094 1.00 0.00 C +ATOM 366 C GLY A 24 7.017 5.362 3.883 1.00 0.00 C +ATOM 367 O GLY A 24 7.162 4.155 3.680 1.00 0.00 O +ATOM 368 H GLY A 24 6.644 7.913 5.253 1.00 0.00 H +ATOM 369 1HA GLY A 24 8.566 6.536 4.781 1.00 0.00 H +ATOM 370 2HA GLY A 24 7.894 5.269 5.834 1.00 0.00 H +ATOM 371 N TYR A 25 6.311 6.150 3.078 1.00 0.00 N +ATOM 372 CA TYR A 25 5.658 5.634 1.880 1.00 0.00 C +ATOM 373 C TYR A 25 6.210 6.297 0.625 1.00 0.00 C +ATOM 374 O TYR A 25 6.679 7.435 0.665 1.00 0.00 O +ATOM 375 CB TYR A 25 4.145 5.845 1.962 1.00 0.00 C +ATOM 376 CG TYR A 25 3.463 4.993 3.010 1.00 0.00 C +ATOM 377 CD1 TYR A 25 3.396 5.407 4.332 1.00 0.00 C +ATOM 378 CD2 TYR A 25 2.887 3.777 2.673 1.00 0.00 C +ATOM 379 CE1 TYR A 25 2.775 4.633 5.293 1.00 0.00 C +ATOM 380 CE2 TYR A 25 2.263 2.995 3.625 1.00 0.00 C +ATOM 381 CZ TYR A 25 2.209 3.426 4.935 1.00 0.00 C +ATOM 382 OH TYR A 25 1.588 2.651 5.888 1.00 0.00 O +ATOM 383 H TYR A 25 6.228 7.131 3.303 1.00 0.00 H +ATOM 384 HA TYR A 25 5.858 4.572 1.746 1.00 0.00 H +ATOM 385 1HB TYR A 25 3.977 6.899 2.186 1.00 0.00 H +ATOM 386 2HB TYR A 25 3.734 5.611 0.980 1.00 0.00 H +ATOM 387 HD1 TYR A 25 3.845 6.362 4.607 1.00 0.00 H +ATOM 388 HD2 TYR A 25 2.934 3.442 1.637 1.00 0.00 H +ATOM 389 HE1 TYR A 25 2.731 4.971 6.328 1.00 0.00 H +ATOM 390 HE2 TYR A 25 1.818 2.041 3.341 1.00 0.00 H +ATOM 391 HH TYR A 25 1.133 1.893 5.515 1.00 0.00 H +ATOM 392 N ASP A 26 6.154 5.578 -0.492 1.00 0.00 N +ATOM 393 CA ASP A 26 6.665 6.088 -1.759 1.00 0.00 C +ATOM 394 C ASP A 26 5.621 6.938 -2.470 1.00 0.00 C +ATOM 395 O ASP A 26 4.674 6.415 -3.055 1.00 0.00 O +ATOM 396 CB ASP A 26 7.108 4.933 -2.661 1.00 0.00 C +ATOM 397 CG ASP A 26 7.645 5.367 -4.019 1.00 0.00 C +ATOM 398 OD1 ASP A 26 7.541 6.529 -4.333 1.00 0.00 O +ATOM 399 OD2 ASP A 26 8.290 4.573 -4.661 1.00 0.00 O +ATOM 400 H ASP A 26 5.747 4.654 -0.461 1.00 0.00 H +ATOM 401 HA ASP A 26 7.513 6.757 -1.604 1.00 0.00 H +ATOM 402 1HB ASP A 26 7.821 4.260 -2.187 1.00 0.00 H +ATOM 403 2HB ASP A 26 6.155 4.420 -2.796 1.00 0.00 H +ATOM 404 N ILE A 27 5.799 8.253 -2.416 1.00 0.00 N +ATOM 405 CA ILE A 27 4.802 9.183 -2.930 1.00 0.00 C +ATOM 406 C ILE A 27 5.226 9.752 -4.279 1.00 0.00 C +ATOM 407 O ILE A 27 6.368 10.173 -4.455 1.00 0.00 O +ATOM 408 CB ILE A 27 4.554 10.343 -1.948 1.00 0.00 C +ATOM 409 CG1 ILE A 27 3.455 11.267 -2.480 1.00 0.00 C +ATOM 410 CG2 ILE A 27 5.838 11.122 -1.709 1.00 0.00 C +ATOM 411 CD1 ILE A 27 2.935 12.250 -1.457 1.00 0.00 C +ATOM 412 H ILE A 27 6.648 8.619 -2.006 1.00 0.00 H +ATOM 413 HA ILE A 27 3.853 8.682 -3.124 1.00 0.00 H +ATOM 414 HB ILE A 27 4.193 9.938 -1.004 1.00 0.00 H +ATOM 415 1HG1 ILE A 27 3.870 11.811 -3.328 1.00 0.00 H +ATOM 416 2HG1 ILE A 27 2.637 10.633 -2.823 1.00 0.00 H +ATOM 417 1HG2 ILE A 27 5.645 11.938 -1.013 1.00 0.00 H +ATOM 418 2HG2 ILE A 27 6.593 10.458 -1.288 1.00 0.00 H +ATOM 419 3HG2 ILE A 27 6.199 11.529 -2.653 1.00 0.00 H +ATOM 420 1HD1 ILE A 27 2.159 12.869 -1.907 1.00 0.00 H +ATOM 421 2HD1 ILE A 27 2.517 11.706 -0.608 1.00 0.00 H +ATOM 422 3HD1 ILE A 27 3.750 12.885 -1.114 1.00 0.00 H +ATOM 423 N GLN A 28 4.293 9.768 -5.226 1.00 0.00 N +ATOM 424 CA GLN A 28 4.491 10.482 -6.484 1.00 0.00 C +ATOM 425 C GLN A 28 3.532 11.659 -6.604 1.00 0.00 C +ATOM 426 O GLN A 28 2.569 11.766 -5.845 1.00 0.00 O +ATOM 427 CB GLN A 28 4.300 9.538 -7.674 1.00 0.00 C +ATOM 428 CG GLN A 28 5.166 8.291 -7.624 1.00 0.00 C +ATOM 429 CD GLN A 28 6.646 8.610 -7.724 1.00 0.00 C +ATOM 430 OE1 GLN A 28 7.076 9.357 -8.608 1.00 0.00 O +ATOM 431 NE2 GLN A 28 7.435 8.041 -6.820 1.00 0.00 N +ATOM 432 H GLN A 28 3.429 9.269 -5.075 1.00 0.00 H +ATOM 433 HA GLN A 28 5.486 10.925 -6.535 1.00 0.00 H +ATOM 434 1HB GLN A 28 3.247 9.256 -7.686 1.00 0.00 H +ATOM 435 2HB GLN A 28 4.532 10.112 -8.571 1.00 0.00 H +ATOM 436 1HG GLN A 28 5.041 7.516 -6.869 1.00 0.00 H +ATOM 437 2HG GLN A 28 4.828 7.913 -8.590 1.00 0.00 H +ATOM 438 1HE2 GLN A 28 8.421 8.214 -6.837 1.00 0.00 H +ATOM 439 2HE2 GLN A 28 7.045 7.440 -6.122 1.00 0.00 H +ATOM 440 N THR A 29 3.802 12.538 -7.560 1.00 0.00 N +ATOM 441 CA THR A 29 3.002 13.745 -7.740 1.00 0.00 C +ATOM 442 C THR A 29 2.283 13.736 -9.084 1.00 0.00 C +ATOM 443 O THR A 29 2.893 13.478 -10.120 1.00 0.00 O +ATOM 444 CB THR A 29 3.866 15.016 -7.641 1.00 0.00 C +ATOM 445 OG1 THR A 29 4.482 15.078 -6.348 1.00 0.00 O +ATOM 446 CG2 THR A 29 3.014 16.258 -7.853 1.00 0.00 C +ATOM 447 H THR A 29 4.580 12.369 -8.182 1.00 0.00 H +ATOM 448 HA THR A 29 2.205 13.806 -6.998 1.00 0.00 H +ATOM 449 HB THR A 29 4.644 14.975 -8.403 1.00 0.00 H +ATOM 450 HG1 THR A 29 5.020 15.871 -6.289 1.00 0.00 H +ATOM 451 1HG2 THR A 29 3.642 17.145 -7.780 1.00 0.00 H +ATOM 452 2HG2 THR A 29 2.553 16.218 -8.840 1.00 0.00 H +ATOM 453 3HG2 THR A 29 2.237 16.299 -7.091 1.00 0.00 H +ATOM 454 N SER A 30 0.986 14.019 -9.056 1.00 0.00 N +ATOM 455 CA SER A 30 0.199 14.118 -10.279 1.00 0.00 C +ATOM 456 C SER A 30 -0.519 15.460 -10.365 1.00 0.00 C +ATOM 457 O SER A 30 -0.849 16.065 -9.344 1.00 0.00 O +ATOM 458 CB SER A 30 -0.798 12.979 -10.350 1.00 0.00 C +ATOM 459 OG SER A 30 -1.696 13.131 -11.416 1.00 0.00 O +ATOM 460 H SER A 30 0.535 14.171 -8.165 1.00 0.00 H +ATOM 461 HA SER A 30 0.835 14.086 -11.163 1.00 0.00 H +ATOM 462 1HB SER A 30 -0.252 12.045 -10.477 1.00 0.00 H +ATOM 463 2HB SER A 30 -1.359 12.946 -9.417 1.00 0.00 H +ATOM 464 HG SER A 30 -2.296 12.382 -11.437 1.00 0.00 H +ATOM 465 N ASN A 31 -0.759 15.921 -11.587 1.00 0.00 N +ATOM 466 CA ASN A 31 -1.529 17.138 -11.808 1.00 0.00 C +ATOM 467 C ASN A 31 -2.645 16.910 -12.822 1.00 0.00 C +ATOM 468 O ASN A 31 -3.161 17.856 -13.416 1.00 0.00 O +ATOM 469 CB ASN A 31 -0.638 18.283 -12.256 1.00 0.00 C +ATOM 470 CG ASN A 31 0.021 18.051 -13.588 1.00 0.00 C +ATOM 471 OD1 ASN A 31 -0.179 17.014 -14.230 1.00 0.00 O +ATOM 472 ND2 ASN A 31 0.867 18.975 -13.967 1.00 0.00 N +ATOM 473 H ASN A 31 -0.401 15.413 -12.383 1.00 0.00 H +ATOM 474 HA ASN A 31 -2.039 17.459 -10.899 1.00 0.00 H +ATOM 475 1HB ASN A 31 -0.987 19.315 -12.204 1.00 0.00 H +ATOM 476 2HB ASN A 31 0.093 18.106 -11.467 1.00 0.00 H +ATOM 477 1HD2 ASN A 31 1.343 18.887 -14.842 1.00 0.00 H +ATOM 478 2HD2 ASN A 31 1.038 19.767 -13.381 1.00 0.00 H +ATOM 479 N ASP A 32 -3.013 15.648 -13.012 1.00 0.00 N +ATOM 480 CA ASP A 32 -4.081 15.295 -13.942 1.00 0.00 C +ATOM 481 C ASP A 32 -4.785 14.013 -13.508 1.00 0.00 C +ATOM 482 O ASP A 32 -4.147 12.975 -13.327 1.00 0.00 O +ATOM 483 CB ASP A 32 -3.527 15.137 -15.359 1.00 0.00 C +ATOM 484 CG ASP A 32 -4.583 14.840 -16.417 1.00 0.00 C +ATOM 485 OD1 ASP A 32 -5.720 14.650 -16.056 1.00 0.00 O +ATOM 486 OD2 ASP A 32 -4.279 14.960 -17.580 1.00 0.00 O +ATOM 487 H ASP A 32 -2.543 14.914 -12.499 1.00 0.00 H +ATOM 488 HA ASP A 32 -4.865 16.052 -13.953 1.00 0.00 H +ATOM 489 1HB ASP A 32 -2.917 15.981 -15.684 1.00 0.00 H +ATOM 490 2HB ASP A 32 -2.894 14.260 -15.222 1.00 0.00 H +ATOM 491 N LYS A 33 -6.100 14.094 -13.344 1.00 0.00 N +ATOM 492 CA LYS A 33 -6.893 12.941 -12.940 1.00 0.00 C +ATOM 493 C LYS A 33 -6.580 11.726 -13.804 1.00 0.00 C +ATOM 494 O LYS A 33 -6.666 10.586 -13.347 1.00 0.00 O +ATOM 495 CB LYS A 33 -8.385 13.267 -13.011 1.00 0.00 C +ATOM 496 CG LYS A 33 -8.918 13.470 -14.424 1.00 0.00 C +ATOM 497 CD LYS A 33 -10.377 13.900 -14.409 1.00 0.00 C +ATOM 498 CE LYS A 33 -10.911 14.100 -15.819 1.00 0.00 C +ATOM 499 NZ LYS A 33 -12.323 14.569 -15.819 1.00 0.00 N +ATOM 500 H LYS A 33 -6.562 14.978 -13.503 1.00 0.00 H +ATOM 501 HA LYS A 33 -6.652 12.629 -11.923 1.00 0.00 H +ATOM 502 1HB LYS A 33 -8.916 12.440 -12.539 1.00 0.00 H +ATOM 503 2HB LYS A 33 -8.542 14.177 -12.432 1.00 0.00 H +ATOM 504 1HG LYS A 33 -8.318 14.237 -14.914 1.00 0.00 H +ATOM 505 2HG LYS A 33 -8.821 12.531 -14.968 1.00 0.00 H +ATOM 506 1HD LYS A 33 -10.962 13.128 -13.905 1.00 0.00 H +ATOM 507 2HD LYS A 33 -10.458 14.835 -13.854 1.00 0.00 H +ATOM 508 1HE LYS A 33 -10.284 14.837 -16.320 1.00 0.00 H +ATOM 509 2HE LYS A 33 -10.845 13.150 -16.348 1.00 0.00 H +ATOM 510 1HZ LYS A 33 -12.638 14.689 -16.771 1.00 0.00 H +ATOM 511 2HZ LYS A 33 -12.905 13.885 -15.355 1.00 0.00 H +ATOM 512 3HZ LYS A 33 -12.385 15.451 -15.330 1.00 0.00 H +ATOM 513 N LYS A 34 -6.217 11.976 -15.057 1.00 0.00 N +ATOM 514 CA LYS A 34 -5.871 10.904 -15.983 1.00 0.00 C +ATOM 515 C LYS A 34 -4.454 10.397 -15.736 1.00 0.00 C +ATOM 516 O LYS A 34 -4.155 9.228 -15.967 1.00 0.00 O +ATOM 517 CB LYS A 34 -6.015 11.380 -17.429 1.00 0.00 C +ATOM 518 CG LYS A 34 -7.449 11.662 -17.859 1.00 0.00 C +ATOM 519 CD LYS A 34 -8.285 10.391 -17.865 1.00 0.00 C +ATOM 520 CE LYS A 34 -9.689 10.653 -18.390 1.00 0.00 C +ATOM 521 NZ LYS A 34 -10.489 9.402 -18.488 1.00 0.00 N +ATOM 522 H LYS A 34 -6.181 12.934 -15.379 1.00 0.00 H +ATOM 523 HA LYS A 34 -6.509 10.032 -15.839 1.00 0.00 H +ATOM 524 1HB LYS A 34 -5.422 12.289 -17.527 1.00 0.00 H +ATOM 525 2HB LYS A 34 -5.593 10.601 -18.066 1.00 0.00 H +ATOM 526 1HG LYS A 34 -7.884 12.380 -17.163 1.00 0.00 H +ATOM 527 2HG LYS A 34 -7.432 12.091 -18.860 1.00 0.00 H +ATOM 528 1HD LYS A 34 -7.791 9.653 -18.498 1.00 0.00 H +ATOM 529 2HD LYS A 34 -8.345 10.010 -16.845 1.00 0.00 H +ATOM 530 1HE LYS A 34 -10.183 11.348 -17.713 1.00 0.00 H +ATOM 531 2HE LYS A 34 -9.604 11.107 -19.377 1.00 0.00 H +ATOM 532 1HZ LYS A 34 -11.411 9.619 -18.840 1.00 0.00 H +ATOM 533 2HZ LYS A 34 -10.032 8.757 -19.117 1.00 0.00 H +ATOM 534 3HZ LYS A 34 -10.568 8.981 -17.573 1.00 0.00 H +ATOM 535 N GLU A 35 -3.590 11.290 -15.263 1.00 0.00 N +ATOM 536 CA GLU A 35 -2.209 10.927 -14.959 1.00 0.00 C +ATOM 537 C GLU A 35 -2.141 9.963 -13.781 1.00 0.00 C +ATOM 538 O GLU A 35 -1.456 8.942 -13.842 1.00 0.00 O +ATOM 539 CB GLU A 35 -1.379 12.178 -14.663 1.00 0.00 C +ATOM 540 CG GLU A 35 0.069 11.897 -14.286 1.00 0.00 C +ATOM 541 CD GLU A 35 0.760 13.143 -13.806 1.00 0.00 C +ATOM 542 OE1 GLU A 35 0.142 14.180 -13.806 1.00 0.00 O +ATOM 543 OE2 GLU A 35 1.867 13.040 -13.333 1.00 0.00 O +ATOM 544 H GLU A 35 -3.894 12.239 -15.112 1.00 0.00 H +ATOM 545 HA GLU A 35 -1.749 10.390 -15.787 1.00 0.00 H +ATOM 546 1HB GLU A 35 -1.406 12.798 -15.559 1.00 0.00 H +ATOM 547 2HB GLU A 35 -1.872 12.702 -13.843 1.00 0.00 H +ATOM 548 1HG GLU A 35 0.178 11.112 -13.538 1.00 0.00 H +ATOM 549 2HG GLU A 35 0.519 11.571 -15.222 1.00 0.00 H +ATOM 550 N ILE A 36 -2.853 10.296 -12.708 1.00 0.00 N +ATOM 551 CA ILE A 36 -2.819 9.497 -11.490 1.00 0.00 C +ATOM 552 C ILE A 36 -3.441 8.123 -11.715 1.00 0.00 C +ATOM 553 O ILE A 36 -3.080 7.151 -11.052 1.00 0.00 O +ATOM 554 CB ILE A 36 -3.552 10.200 -10.332 1.00 0.00 C +ATOM 555 CG1 ILE A 36 -3.224 9.519 -9.001 1.00 0.00 C +ATOM 556 CG2 ILE A 36 -5.053 10.202 -10.577 1.00 0.00 C +ATOM 557 CD1 ILE A 36 -3.544 10.363 -7.788 1.00 0.00 C +ATOM 558 H ILE A 36 -3.431 11.122 -12.740 1.00 0.00 H +ATOM 559 HA ILE A 36 -1.794 9.291 -11.177 1.00 0.00 H +ATOM 560 HB ILE A 36 -3.194 11.226 -10.257 1.00 0.00 H +ATOM 561 1HG1 ILE A 36 -3.796 8.593 -8.960 1.00 0.00 H +ATOM 562 2HG1 ILE A 36 -2.159 9.286 -9.010 1.00 0.00 H +ATOM 563 1HG2 ILE A 36 -5.556 10.702 -9.750 1.00 0.00 H +ATOM 564 2HG2 ILE A 36 -5.269 10.730 -11.505 1.00 0.00 H +ATOM 565 3HG2 ILE A 36 -5.411 9.175 -10.652 1.00 0.00 H +ATOM 566 1HD1 ILE A 36 -3.284 9.814 -6.883 1.00 0.00 H +ATOM 567 2HD1 ILE A 36 -2.970 11.290 -7.827 1.00 0.00 H +ATOM 568 3HD1 ILE A 36 -4.608 10.596 -7.777 1.00 0.00 H +ATOM 569 N ILE A 37 -4.378 8.051 -12.654 1.00 0.00 N +ATOM 570 CA ILE A 37 -4.963 6.778 -13.055 1.00 0.00 C +ATOM 571 C ILE A 37 -3.975 5.949 -13.868 1.00 0.00 C +ATOM 572 O ILE A 37 -3.824 4.749 -13.644 1.00 0.00 O +ATOM 573 CB ILE A 37 -6.248 6.982 -13.878 1.00 0.00 C +ATOM 574 CG1 ILE A 37 -7.360 7.558 -12.998 1.00 0.00 C +ATOM 575 CG2 ILE A 37 -6.690 5.671 -14.509 1.00 0.00 C +ATOM 576 CD1 ILE A 37 -8.556 8.060 -13.775 1.00 0.00 C +ATOM 577 H ILE A 37 -4.694 8.900 -13.102 1.00 0.00 H +ATOM 578 HA ILE A 37 -5.199 6.157 -12.189 1.00 0.00 H +ATOM 579 HB ILE A 37 -6.056 7.715 -14.661 1.00 0.00 H +ATOM 580 1HG1 ILE A 37 -7.675 6.770 -12.316 1.00 0.00 H +ATOM 581 2HG1 ILE A 37 -6.928 8.380 -12.427 1.00 0.00 H +ATOM 582 1HG2 ILE A 37 -7.600 5.833 -15.087 1.00 0.00 H +ATOM 583 2HG2 ILE A 37 -5.904 5.300 -15.167 1.00 0.00 H +ATOM 584 3HG2 ILE A 37 -6.884 4.937 -13.726 1.00 0.00 H +ATOM 585 1HD1 ILE A 37 -9.301 8.454 -13.084 1.00 0.00 H +ATOM 586 2HD1 ILE A 37 -8.242 8.851 -14.458 1.00 0.00 H +ATOM 587 3HD1 ILE A 37 -8.990 7.241 -14.346 1.00 0.00 H +ATOM 588 N ASP A 38 -3.304 6.599 -14.815 1.00 0.00 N +ATOM 589 CA ASP A 38 -2.273 5.944 -15.608 1.00 0.00 C +ATOM 590 C ASP A 38 -1.124 5.464 -14.730 1.00 0.00 C +ATOM 591 O ASP A 38 -0.556 4.397 -14.961 1.00 0.00 O +ATOM 592 CB ASP A 38 -1.749 6.890 -16.691 1.00 0.00 C +ATOM 593 CG ASP A 38 -2.712 7.115 -17.849 1.00 0.00 C +ATOM 594 OD1 ASP A 38 -3.669 6.385 -17.951 1.00 0.00 O +ATOM 595 OD2 ASP A 38 -2.572 8.105 -18.527 1.00 0.00 O +ATOM 596 H ASP A 38 -3.516 7.571 -14.989 1.00 0.00 H +ATOM 597 HA ASP A 38 -2.652 5.042 -16.088 1.00 0.00 H +ATOM 598 1HB ASP A 38 -1.417 7.853 -16.303 1.00 0.00 H +ATOM 599 2HB ASP A 38 -0.887 6.322 -17.041 1.00 0.00 H +ATOM 600 N ARG A 39 -0.783 6.262 -13.722 1.00 0.00 N +ATOM 601 CA ARG A 39 0.233 5.876 -12.752 1.00 0.00 C +ATOM 602 C ARG A 39 -0.167 4.610 -12.007 1.00 0.00 C +ATOM 603 O ARG A 39 0.606 3.657 -11.923 1.00 0.00 O +ATOM 604 CB ARG A 39 0.566 7.006 -11.789 1.00 0.00 C +ATOM 605 CG ARG A 39 1.373 8.144 -12.393 1.00 0.00 C +ATOM 606 CD ARG A 39 1.640 9.268 -11.459 1.00 0.00 C +ATOM 607 NE ARG A 39 2.357 10.386 -12.052 1.00 0.00 N +ATOM 608 CZ ARG A 39 3.691 10.429 -12.235 1.00 0.00 C +ATOM 609 NH1 ARG A 39 4.461 9.439 -11.840 1.00 0.00 N +ATOM 610 NH2 ARG A 39 4.210 11.505 -12.800 1.00 0.00 N +ATOM 611 H ARG A 39 -1.242 7.157 -13.627 1.00 0.00 H +ATOM 612 HA ARG A 39 1.176 5.627 -13.241 1.00 0.00 H +ATOM 613 1HB ARG A 39 -0.381 7.395 -11.416 1.00 0.00 H +ATOM 614 2HB ARG A 39 1.128 6.566 -10.965 1.00 0.00 H +ATOM 615 1HG ARG A 39 2.333 7.750 -12.727 1.00 0.00 H +ATOM 616 2HG ARG A 39 0.826 8.540 -13.249 1.00 0.00 H +ATOM 617 1HD ARG A 39 0.691 9.651 -11.085 1.00 0.00 H +ATOM 618 2HD ARG A 39 2.238 8.901 -10.626 1.00 0.00 H +ATOM 619 HE ARG A 39 2.002 11.265 -12.405 1.00 0.00 H +ATOM 620 1HH1 ARG A 39 4.051 8.631 -11.393 1.00 0.00 H +ATOM 621 2HH1 ARG A 39 5.459 9.490 -11.986 1.00 0.00 H +ATOM 622 1HH2 ARG A 39 3.605 12.265 -13.081 1.00 0.00 H +ATOM 623 2HH2 ARG A 39 5.206 11.563 -12.948 1.00 0.00 H +ATOM 624 N LEU A 40 -1.380 4.605 -11.468 1.00 0.00 N +ATOM 625 CA LEU A 40 -1.928 3.418 -10.820 1.00 0.00 C +ATOM 626 C LEU A 40 -1.767 2.187 -11.701 1.00 0.00 C +ATOM 627 O LEU A 40 -1.287 1.147 -11.248 1.00 0.00 O +ATOM 628 CB LEU A 40 -3.406 3.636 -10.473 1.00 0.00 C +ATOM 629 CG LEU A 40 -4.157 2.385 -10.000 1.00 0.00 C +ATOM 630 CD1 LEU A 40 -3.491 1.816 -8.755 1.00 0.00 C +ATOM 631 CD2 LEU A 40 -5.610 2.740 -9.719 1.00 0.00 C +ATOM 632 H LEU A 40 -1.941 5.444 -11.507 1.00 0.00 H +ATOM 633 HA LEU A 40 -1.386 3.181 -9.904 1.00 0.00 H +ATOM 634 1HB LEU A 40 -3.293 4.338 -9.649 1.00 0.00 H +ATOM 635 2HB LEU A 40 -3.945 4.118 -11.289 1.00 0.00 H +ATOM 636 HG LEU A 40 -4.141 1.668 -10.821 1.00 0.00 H +ATOM 637 1HD1 LEU A 40 -4.031 0.928 -8.426 1.00 0.00 H +ATOM 638 2HD1 LEU A 40 -2.459 1.548 -8.984 1.00 0.00 H +ATOM 639 3HD1 LEU A 40 -3.504 2.562 -7.961 1.00 0.00 H +ATOM 640 1HD2 LEU A 40 -6.143 1.849 -9.384 1.00 0.00 H +ATOM 641 2HD2 LEU A 40 -5.655 3.504 -8.944 1.00 0.00 H +ATOM 642 3HD2 LEU A 40 -6.075 3.118 -10.630 1.00 0.00 H +ATOM 643 N LYS A 41 -2.169 2.308 -12.961 1.00 0.00 N +ATOM 644 CA LYS A 41 -2.249 1.158 -13.854 1.00 0.00 C +ATOM 645 C LYS A 41 -0.880 0.793 -14.408 1.00 0.00 C +ATOM 646 O LYS A 41 -0.736 -0.192 -15.131 1.00 0.00 O +ATOM 647 CB LYS A 41 -3.221 1.436 -15.002 1.00 0.00 C +ATOM 648 CG LYS A 41 -4.674 1.594 -14.571 1.00 0.00 C +ATOM 649 CD LYS A 41 -5.569 1.924 -15.756 1.00 0.00 C +ATOM 650 CE LYS A 41 -7.020 2.085 -15.327 1.00 0.00 C +ATOM 651 NZ LYS A 41 -7.894 2.491 -16.460 1.00 0.00 N +ATOM 652 H LYS A 41 -2.422 3.223 -13.309 1.00 0.00 H +ATOM 653 HA LYS A 41 -2.584 0.269 -13.323 1.00 0.00 H +ATOM 654 1HB LYS A 41 -2.886 2.352 -15.489 1.00 0.00 H +ATOM 655 2HB LYS A 41 -3.139 0.603 -15.700 1.00 0.00 H +ATOM 656 1HG LYS A 41 -5.003 0.660 -14.115 1.00 0.00 H +ATOM 657 2HG LYS A 41 -4.732 2.397 -13.837 1.00 0.00 H +ATOM 658 1HD LYS A 41 -5.219 2.852 -16.209 1.00 0.00 H +ATOM 659 2HD LYS A 41 -5.494 1.115 -16.484 1.00 0.00 H +ATOM 660 1HE LYS A 41 -7.365 1.133 -14.925 1.00 0.00 H +ATOM 661 2HE LYS A 41 -7.063 2.844 -14.546 1.00 0.00 H +ATOM 662 1HZ LYS A 41 -8.846 2.587 -16.134 1.00 0.00 H +ATOM 663 2HZ LYS A 41 -7.575 3.374 -16.833 1.00 0.00 H +ATOM 664 3HZ LYS A 41 -7.856 1.787 -17.184 1.00 0.00 H +ATOM 665 N ARG A 42 0.125 1.593 -14.065 1.00 0.00 N +ATOM 666 CA ARG A 42 1.471 1.399 -14.586 1.00 0.00 C +ATOM 667 C ARG A 42 2.499 1.371 -13.461 1.00 0.00 C +ATOM 668 O ARG A 42 3.697 1.227 -13.707 1.00 0.00 O +ATOM 669 CB ARG A 42 1.830 2.431 -15.645 1.00 0.00 C +ATOM 670 CG ARG A 42 0.975 2.382 -16.902 1.00 0.00 C +ATOM 671 CD ARG A 42 1.175 1.166 -17.731 1.00 0.00 C +ATOM 672 NE ARG A 42 0.372 1.125 -18.943 1.00 0.00 N +ATOM 673 CZ ARG A 42 -0.872 0.614 -19.020 1.00 0.00 C +ATOM 674 NH1 ARG A 42 -1.446 0.068 -17.971 1.00 0.00 N +ATOM 675 NH2 ARG A 42 -1.493 0.656 -20.185 1.00 0.00 N +ATOM 676 H ARG A 42 -0.051 2.355 -13.424 1.00 0.00 H +ATOM 677 HA ARG A 42 1.572 0.431 -15.079 1.00 0.00 H +ATOM 678 1HB ARG A 42 1.730 3.411 -15.181 1.00 0.00 H +ATOM 679 2HB ARG A 42 2.872 2.261 -15.914 1.00 0.00 H +ATOM 680 1HG ARG A 42 -0.075 2.420 -16.609 1.00 0.00 H +ATOM 681 2HG ARG A 42 1.213 3.252 -17.516 1.00 0.00 H +ATOM 682 1HD ARG A 42 2.221 1.110 -18.031 1.00 0.00 H +ATOM 683 2HD ARG A 42 0.919 0.288 -17.140 1.00 0.00 H +ATOM 684 HE ARG A 42 0.594 1.451 -19.875 1.00 0.00 H +ATOM 685 1HH1 ARG A 42 -0.951 0.028 -17.091 1.00 0.00 H +ATOM 686 2HH1 ARG A 42 -2.379 -0.309 -18.049 1.00 0.00 H +ATOM 687 1HH2 ARG A 42 -1.031 1.063 -20.987 1.00 0.00 H +ATOM 688 2HH2 ARG A 42 -2.426 0.279 -20.271 1.00 0.00 H +ATOM 689 N ARG A 43 2.023 1.511 -12.228 1.00 0.00 N +ATOM 690 CA ARG A 43 2.903 1.524 -11.064 1.00 0.00 C +ATOM 691 C ARG A 43 2.342 0.660 -9.943 1.00 0.00 C +ATOM 692 O ARG A 43 2.987 0.466 -8.913 1.00 0.00 O +ATOM 693 CB ARG A 43 3.201 2.935 -10.581 1.00 0.00 C +ATOM 694 CG ARG A 43 3.925 3.815 -11.588 1.00 0.00 C +ATOM 695 CD ARG A 43 5.339 3.435 -11.830 1.00 0.00 C +ATOM 696 NE ARG A 43 6.067 4.340 -12.705 1.00 0.00 N +ATOM 697 CZ ARG A 43 6.078 4.260 -14.050 1.00 0.00 C +ATOM 698 NH1 ARG A 43 5.438 3.299 -14.676 1.00 0.00 N +ATOM 699 NH2 ARG A 43 6.772 5.161 -14.723 1.00 0.00 N +ATOM 700 H ARG A 43 1.029 1.611 -12.094 1.00 0.00 H +ATOM 701 HA ARG A 43 3.875 1.087 -11.296 1.00 0.00 H +ATOM 702 1HB ARG A 43 2.246 3.392 -10.325 1.00 0.00 H +ATOM 703 2HB ARG A 43 3.812 2.842 -9.683 1.00 0.00 H +ATOM 704 1HG ARG A 43 3.395 3.761 -12.541 1.00 0.00 H +ATOM 705 2HG ARG A 43 3.910 4.843 -11.223 1.00 0.00 H +ATOM 706 1HD ARG A 43 5.867 3.409 -10.877 1.00 0.00 H +ATOM 707 2HD ARG A 43 5.367 2.446 -12.287 1.00 0.00 H +ATOM 708 HE ARG A 43 6.649 5.134 -12.471 1.00 0.00 H +ATOM 709 1HH1 ARG A 43 4.926 2.607 -14.147 1.00 0.00 H +ATOM 710 2HH1 ARG A 43 5.460 3.255 -15.685 1.00 0.00 H +ATOM 711 1HH2 ARG A 43 7.274 5.884 -14.224 1.00 0.00 H +ATOM 712 2HH2 ARG A 43 6.798 5.124 -15.731 1.00 0.00 H +ATOM 713 N ASN A 44 1.135 0.141 -10.147 1.00 0.00 N +ATOM 714 CA ASN A 44 0.470 -0.672 -9.137 1.00 0.00 C +ATOM 715 C ASN A 44 0.354 0.078 -7.817 1.00 0.00 C +ATOM 716 O ASN A 44 0.718 -0.443 -6.762 1.00 0.00 O +ATOM 717 CB ASN A 44 1.185 -1.994 -8.929 1.00 0.00 C +ATOM 718 CG ASN A 44 0.356 -3.025 -8.213 1.00 0.00 C +ATOM 719 OD1 ASN A 44 -0.878 -3.011 -8.277 1.00 0.00 O +ATOM 720 ND2 ASN A 44 1.024 -3.868 -7.468 1.00 0.00 N +ATOM 721 H ASN A 44 0.668 0.316 -11.026 1.00 0.00 H +ATOM 722 HA ASN A 44 -0.560 -0.895 -9.423 1.00 0.00 H +ATOM 723 1HB ASN A 44 1.723 -2.474 -9.748 1.00 0.00 H +ATOM 724 2HB ASN A 44 1.901 -1.569 -8.225 1.00 0.00 H +ATOM 725 1HD2 ASN A 44 0.537 -4.582 -6.963 1.00 0.00 H +ATOM 726 2HD2 ASN A 44 2.019 -3.799 -7.403 1.00 0.00 H +ATOM 727 N ILE A 45 -0.156 1.304 -7.878 1.00 0.00 N +ATOM 728 CA ILE A 45 -0.241 2.160 -6.702 1.00 0.00 C +ATOM 729 C ILE A 45 -1.291 1.648 -5.723 1.00 0.00 C +ATOM 730 O ILE A 45 -2.363 1.195 -6.128 1.00 0.00 O +ATOM 731 CB ILE A 45 -0.573 3.614 -7.084 1.00 0.00 C +ATOM 732 CG1 ILE A 45 0.487 4.169 -8.040 1.00 0.00 C +ATOM 733 CG2 ILE A 45 -0.678 4.480 -5.839 1.00 0.00 C +ATOM 734 CD1 ILE A 45 1.874 4.235 -7.442 1.00 0.00 C +ATOM 735 H ILE A 45 -0.493 1.650 -8.766 1.00 0.00 H +ATOM 736 HA ILE A 45 0.692 2.154 -6.138 1.00 0.00 H +ATOM 737 HB ILE A 45 -1.520 3.632 -7.621 1.00 0.00 H +ATOM 738 1HG1 ILE A 45 0.500 3.526 -8.919 1.00 0.00 H +ATOM 739 2HG1 ILE A 45 0.168 5.171 -8.329 1.00 0.00 H +ATOM 740 1HG2 ILE A 45 -0.912 5.505 -6.127 1.00 0.00 H +ATOM 741 2HG2 ILE A 45 -1.467 4.096 -5.194 1.00 0.00 H +ATOM 742 3HG2 ILE A 45 0.271 4.463 -5.302 1.00 0.00 H +ATOM 743 1HD1 ILE A 45 2.569 4.639 -8.178 1.00 0.00 H +ATOM 744 2HD1 ILE A 45 1.862 4.880 -6.563 1.00 0.00 H +ATOM 745 3HD1 ILE A 45 2.194 3.235 -7.154 1.00 0.00 H +ATOM 746 N ASP A 46 -0.975 1.719 -4.434 1.00 0.00 N +ATOM 747 CA ASP A 46 -1.865 1.206 -3.399 1.00 0.00 C +ATOM 748 C ASP A 46 -2.878 2.260 -2.971 1.00 0.00 C +ATOM 749 O ASP A 46 -4.059 1.964 -2.798 1.00 0.00 O +ATOM 750 CB ASP A 46 -1.060 0.728 -2.188 1.00 0.00 C +ATOM 751 CG ASP A 46 -0.084 -0.402 -2.488 1.00 0.00 C +ATOM 752 OD1 ASP A 46 -0.510 -1.405 -3.011 1.00 0.00 O +ATOM 753 OD2 ASP A 46 1.096 -0.196 -2.337 1.00 0.00 O +ATOM 754 H ASP A 46 -0.099 2.142 -4.166 1.00 0.00 H +ATOM 755 HA ASP A 46 -2.465 0.376 -3.769 1.00 0.00 H +ATOM 756 1HB ASP A 46 -0.536 1.531 -1.670 1.00 0.00 H +ATOM 757 2HB ASP A 46 -1.867 0.353 -1.558 1.00 0.00 H +ATOM 758 N MET A 47 -2.408 3.491 -2.802 1.00 0.00 N +ATOM 759 CA MET A 47 -3.257 4.578 -2.326 1.00 0.00 C +ATOM 760 C MET A 47 -3.342 5.700 -3.354 1.00 0.00 C +ATOM 761 O MET A 47 -2.325 6.271 -3.746 1.00 0.00 O +ATOM 762 CB MET A 47 -2.731 5.117 -0.997 1.00 0.00 C +ATOM 763 CG MET A 47 -2.915 4.172 0.182 1.00 0.00 C +ATOM 764 SD MET A 47 -2.045 4.729 1.661 1.00 0.00 S +ATOM 765 CE MET A 47 -0.379 4.181 1.299 1.00 0.00 C +ATOM 766 H MET A 47 -1.438 3.681 -3.007 1.00 0.00 H +ATOM 767 HA MET A 47 -4.287 4.244 -2.192 1.00 0.00 H +ATOM 768 1HB MET A 47 -1.671 5.323 -1.136 1.00 0.00 H +ATOM 769 2HB MET A 47 -3.261 6.050 -0.801 1.00 0.00 H +ATOM 770 1HG MET A 47 -3.981 4.103 0.399 1.00 0.00 H +ATOM 771 2HG MET A 47 -2.538 3.192 -0.107 1.00 0.00 H +ATOM 772 1HE MET A 47 0.281 4.453 2.123 1.00 0.00 H +ATOM 773 2HE MET A 47 -0.372 3.098 1.170 1.00 0.00 H +ATOM 774 3HE MET A 47 -0.030 4.658 0.383 1.00 0.00 H +ATOM 775 N ILE A 48 -4.559 6.013 -3.781 1.00 0.00 N +ATOM 776 CA ILE A 48 -4.787 7.129 -4.691 1.00 0.00 C +ATOM 777 C ILE A 48 -5.451 8.299 -3.973 1.00 0.00 C +ATOM 778 O ILE A 48 -6.615 8.218 -3.578 1.00 0.00 O +ATOM 779 CB ILE A 48 -5.659 6.711 -5.889 1.00 0.00 C +ATOM 780 CG1 ILE A 48 -5.008 5.549 -6.644 1.00 0.00 C +ATOM 781 CG2 ILE A 48 -5.888 7.892 -6.818 1.00 0.00 C +ATOM 782 CD1 ILE A 48 -3.643 5.876 -7.206 1.00 0.00 C +ATOM 783 H ILE A 48 -5.347 5.464 -3.469 1.00 0.00 H +ATOM 784 HA ILE A 48 -3.846 7.532 -5.069 1.00 0.00 H +ATOM 785 HB ILE A 48 -6.618 6.347 -5.520 1.00 0.00 H +ATOM 786 1HG1 ILE A 48 -4.924 4.716 -5.948 1.00 0.00 H +ATOM 787 2HG1 ILE A 48 -5.679 5.275 -7.458 1.00 0.00 H +ATOM 788 1HG2 ILE A 48 -6.506 7.579 -7.660 1.00 0.00 H +ATOM 789 2HG2 ILE A 48 -6.393 8.690 -6.275 1.00 0.00 H +ATOM 790 3HG2 ILE A 48 -4.930 8.256 -7.188 1.00 0.00 H +ATOM 791 1HD1 ILE A 48 -3.245 5.005 -7.727 1.00 0.00 H +ATOM 792 2HD1 ILE A 48 -3.725 6.709 -7.904 1.00 0.00 H +ATOM 793 3HD1 ILE A 48 -2.970 6.149 -6.394 1.00 0.00 H +ATOM 794 N ILE A 49 -4.704 9.385 -3.808 1.00 0.00 N +ATOM 795 CA ILE A 49 -5.197 10.547 -3.080 1.00 0.00 C +ATOM 796 C ILE A 49 -5.409 11.733 -4.013 1.00 0.00 C +ATOM 797 O ILE A 49 -4.494 12.142 -4.730 1.00 0.00 O +ATOM 798 CB ILE A 49 -4.231 10.958 -1.953 1.00 0.00 C +ATOM 799 CG1 ILE A 49 -4.016 9.792 -0.984 1.00 0.00 C +ATOM 800 CG2 ILE A 49 -4.763 12.176 -1.215 1.00 0.00 C +ATOM 801 CD1 ILE A 49 -2.924 10.038 0.033 1.00 0.00 C +ATOM 802 H ILE A 49 -3.774 9.405 -4.197 1.00 0.00 H +ATOM 803 HA ILE A 49 -6.176 10.357 -2.642 1.00 0.00 H +ATOM 804 HB ILE A 49 -3.259 11.190 -2.385 1.00 0.00 H +ATOM 805 1HG1 ILE A 49 -4.960 9.619 -0.469 1.00 0.00 H +ATOM 806 2HG1 ILE A 49 -3.764 8.916 -1.582 1.00 0.00 H +ATOM 807 1HG2 ILE A 49 -4.069 12.453 -0.421 1.00 0.00 H +ATOM 808 2HG2 ILE A 49 -4.867 13.007 -1.911 1.00 0.00 H +ATOM 809 3HG2 ILE A 49 -5.736 11.944 -0.781 1.00 0.00 H +ATOM 810 1HD1 ILE A 49 -2.830 9.168 0.684 1.00 0.00 H +ATOM 811 2HD1 ILE A 49 -1.978 10.210 -0.481 1.00 0.00 H +ATOM 812 3HD1 ILE A 49 -3.175 10.912 0.633 1.00 0.00 H +ATOM 813 N VAL A 50 -6.619 12.280 -3.999 1.00 0.00 N +ATOM 814 CA VAL A 50 -6.951 13.426 -4.839 1.00 0.00 C +ATOM 815 C VAL A 50 -7.564 14.552 -4.017 1.00 0.00 C +ATOM 816 O VAL A 50 -8.472 14.328 -3.216 1.00 0.00 O +ATOM 817 CB VAL A 50 -7.926 13.038 -5.966 1.00 0.00 C +ATOM 818 CG1 VAL A 50 -9.156 12.351 -5.393 1.00 0.00 C +ATOM 819 CG2 VAL A 50 -8.328 14.265 -6.769 1.00 0.00 C +ATOM 820 H VAL A 50 -7.327 11.895 -3.388 1.00 0.00 H +ATOM 821 HA VAL A 50 -6.059 13.861 -5.288 1.00 0.00 H +ATOM 822 HB VAL A 50 -7.420 12.361 -6.655 1.00 0.00 H +ATOM 823 1HG1 VAL A 50 -9.835 12.083 -6.204 1.00 0.00 H +ATOM 824 2HG1 VAL A 50 -8.855 11.449 -4.861 1.00 0.00 H +ATOM 825 3HG1 VAL A 50 -9.664 13.027 -4.706 1.00 0.00 H +ATOM 826 1HG2 VAL A 50 -9.017 13.973 -7.562 1.00 0.00 H +ATOM 827 2HG2 VAL A 50 -8.816 14.985 -6.112 1.00 0.00 H +ATOM 828 3HG2 VAL A 50 -7.441 14.719 -7.210 1.00 0.00 H +ATOM 829 N LYS A 51 -7.062 15.767 -4.220 1.00 0.00 N +ATOM 830 CA LYS A 51 -7.655 16.951 -3.615 1.00 0.00 C +ATOM 831 C LYS A 51 -8.311 17.839 -4.665 1.00 0.00 C +ATOM 832 O LYS A 51 -7.631 18.458 -5.482 1.00 0.00 O +ATOM 833 CB LYS A 51 -6.600 17.743 -2.842 1.00 0.00 C +ATOM 834 CG LYS A 51 -7.169 18.764 -1.865 1.00 0.00 C +ATOM 835 CD LYS A 51 -7.305 20.134 -2.512 1.00 0.00 C +ATOM 836 CE LYS A 51 -7.840 21.162 -1.527 1.00 0.00 C +ATOM 837 NZ LYS A 51 -8.063 22.485 -2.170 1.00 0.00 N +ATOM 838 H LYS A 51 -6.247 15.870 -4.810 1.00 0.00 H +ATOM 839 HA LYS A 51 -8.444 16.657 -2.922 1.00 0.00 H +ATOM 840 1HB LYS A 51 -5.993 17.019 -2.297 1.00 0.00 H +ATOM 841 2HB LYS A 51 -5.980 18.254 -3.579 1.00 0.00 H +ATOM 842 1HG LYS A 51 -8.149 18.418 -1.535 1.00 0.00 H +ATOM 843 2HG LYS A 51 -6.501 18.832 -1.007 1.00 0.00 H +ATOM 844 1HD LYS A 51 -6.323 20.448 -2.869 1.00 0.00 H +ATOM 845 2HD LYS A 51 -7.988 20.052 -3.358 1.00 0.00 H +ATOM 846 1HE LYS A 51 -8.782 20.791 -1.124 1.00 0.00 H +ATOM 847 2HE LYS A 51 -7.117 21.269 -0.718 1.00 0.00 H +ATOM 848 1HZ LYS A 51 -8.417 23.137 -1.484 1.00 0.00 H +ATOM 849 2HZ LYS A 51 -7.190 22.831 -2.543 1.00 0.00 H +ATOM 850 3HZ LYS A 51 -8.734 22.387 -2.918 1.00 0.00 H +ATOM 851 N THR A 52 -9.639 17.891 -4.641 1.00 0.00 N +ATOM 852 CA THR A 52 -10.395 18.613 -5.658 1.00 0.00 C +ATOM 853 C THR A 52 -11.836 18.843 -5.213 1.00 0.00 C +ATOM 854 O THR A 52 -12.339 18.155 -4.326 1.00 0.00 O +ATOM 855 CB THR A 52 -10.396 17.861 -7.001 1.00 0.00 C +ATOM 856 OG1 THR A 52 -11.025 18.670 -8.005 1.00 0.00 O +ATOM 857 CG2 THR A 52 -11.147 16.543 -6.875 1.00 0.00 C +ATOM 858 H THR A 52 -10.137 17.419 -3.900 1.00 0.00 H +ATOM 859 HA THR A 52 -9.990 19.611 -5.819 1.00 0.00 H +ATOM 860 HB THR A 52 -9.366 17.664 -7.299 1.00 0.00 H +ATOM 861 HG1 THR A 52 -10.431 18.769 -8.753 1.00 0.00 H +ATOM 862 1HG2 THR A 52 -11.136 16.027 -7.834 1.00 0.00 H +ATOM 863 2HG2 THR A 52 -10.664 15.922 -6.120 1.00 0.00 H +ATOM 864 3HG2 THR A 52 -12.177 16.740 -6.579 1.00 0.00 H +ATOM 865 N GLU A 53 -12.491 19.816 -5.835 1.00 0.00 N +ATOM 866 CA GLU A 53 -13.919 20.030 -5.628 1.00 0.00 C +ATOM 867 C GLU A 53 -14.736 19.439 -6.769 1.00 0.00 C +ATOM 868 O GLU A 53 -15.961 19.351 -6.687 1.00 0.00 O +ATOM 869 CB GLU A 53 -14.223 21.523 -5.484 1.00 0.00 C +ATOM 870 CG GLU A 53 -13.432 22.223 -4.388 1.00 0.00 C +ATOM 871 CD GLU A 53 -13.646 21.562 -3.054 1.00 0.00 C +ATOM 872 OE1 GLU A 53 -14.776 21.436 -2.650 1.00 0.00 O +ATOM 873 OE2 GLU A 53 -12.690 21.082 -2.491 1.00 0.00 O +ATOM 874 H GLU A 53 -11.990 20.423 -6.465 1.00 0.00 H +ATOM 875 HA GLU A 53 -14.272 19.514 -4.734 1.00 0.00 H +ATOM 876 1HB GLU A 53 -13.998 21.987 -6.445 1.00 0.00 H +ATOM 877 2HB GLU A 53 -15.289 21.614 -5.277 1.00 0.00 H +ATOM 878 1HG GLU A 53 -12.364 22.284 -4.595 1.00 0.00 H +ATOM 879 2HG GLU A 53 -13.855 23.226 -4.367 1.00 0.00 H +ATOM 880 N ASP A 54 -14.051 19.032 -7.832 1.00 0.00 N +ATOM 881 CA ASP A 54 -14.716 18.605 -9.057 1.00 0.00 C +ATOM 882 C ASP A 54 -15.343 17.225 -8.889 1.00 0.00 C +ATOM 883 O ASP A 54 -14.639 16.222 -8.769 1.00 0.00 O +ATOM 884 CB ASP A 54 -13.731 18.596 -10.228 1.00 0.00 C +ATOM 885 CG ASP A 54 -14.375 18.372 -11.590 1.00 0.00 C +ATOM 886 OD1 ASP A 54 -15.185 17.482 -11.703 1.00 0.00 O +ATOM 887 OD2 ASP A 54 -14.172 19.183 -12.461 1.00 0.00 O +ATOM 888 H ASP A 54 -13.041 19.022 -7.793 1.00 0.00 H +ATOM 889 HA ASP A 54 -15.551 19.261 -9.306 1.00 0.00 H +ATOM 890 1HB ASP A 54 -13.097 19.482 -10.269 1.00 0.00 H +ATOM 891 2HB ASP A 54 -13.127 17.727 -9.964 1.00 0.00 H +ATOM 892 N LYS A 55 -16.670 17.182 -8.878 1.00 0.00 N +ATOM 893 CA LYS A 55 -17.395 15.939 -8.638 1.00 0.00 C +ATOM 894 C LYS A 55 -17.169 14.943 -9.768 1.00 0.00 C +ATOM 895 O LYS A 55 -17.077 13.736 -9.537 1.00 0.00 O +ATOM 896 CB LYS A 55 -18.890 16.216 -8.472 1.00 0.00 C +ATOM 897 CG LYS A 55 -19.256 16.950 -7.189 1.00 0.00 C +ATOM 898 CD LYS A 55 -20.749 17.233 -7.120 1.00 0.00 C +ATOM 899 CE LYS A 55 -21.108 18.011 -5.863 1.00 0.00 C +ATOM 900 NZ LYS A 55 -22.554 18.360 -5.818 1.00 0.00 N +ATOM 901 H LYS A 55 -17.192 18.031 -9.042 1.00 0.00 H +ATOM 902 HA LYS A 55 -17.029 15.433 -7.743 1.00 0.00 H +ATOM 903 1HB LYS A 55 -19.203 16.810 -9.332 1.00 0.00 H +ATOM 904 2HB LYS A 55 -19.398 15.251 -8.495 1.00 0.00 H +ATOM 905 1HG LYS A 55 -18.963 16.331 -6.341 1.00 0.00 H +ATOM 906 2HG LYS A 55 -18.706 17.890 -7.160 1.00 0.00 H +ATOM 907 1HD LYS A 55 -21.035 17.811 -8.000 1.00 0.00 H +ATOM 908 2HD LYS A 55 -21.283 16.283 -7.122 1.00 0.00 H +ATOM 909 1HE LYS A 55 -20.856 17.399 -4.998 1.00 0.00 H +ATOM 910 2HE LYS A 55 -20.514 18.925 -5.846 1.00 0.00 H +ATOM 911 1HZ LYS A 55 -22.750 18.875 -4.971 1.00 0.00 H +ATOM 912 2HZ LYS A 55 -22.789 18.929 -6.619 1.00 0.00 H +ATOM 913 3HZ LYS A 55 -23.105 17.514 -5.833 1.00 0.00 H +ATOM 914 N GLU A 56 -17.080 15.453 -10.991 1.00 0.00 N +ATOM 915 CA GLU A 56 -16.890 14.607 -12.163 1.00 0.00 C +ATOM 916 C GLU A 56 -15.532 13.918 -12.131 1.00 0.00 C +ATOM 917 O GLU A 56 -15.426 12.719 -12.388 1.00 0.00 O +ATOM 918 CB GLU A 56 -17.032 15.428 -13.446 1.00 0.00 C +ATOM 919 CG GLU A 56 -16.915 14.616 -14.729 1.00 0.00 C +ATOM 920 CD GLU A 56 -17.098 15.483 -15.943 1.00 0.00 C +ATOM 921 OE1 GLU A 56 -17.316 16.660 -15.782 1.00 0.00 O +ATOM 922 OE2 GLU A 56 -16.911 14.993 -17.032 1.00 0.00 O +ATOM 923 H GLU A 56 -17.146 16.452 -11.112 1.00 0.00 H +ATOM 924 HA GLU A 56 -17.616 13.793 -12.185 1.00 0.00 H +ATOM 925 1HB GLU A 56 -18.010 15.908 -13.410 1.00 0.00 H +ATOM 926 2HB GLU A 56 -16.252 16.189 -13.426 1.00 0.00 H +ATOM 927 1HG GLU A 56 -15.975 14.070 -14.812 1.00 0.00 H +ATOM 928 2HG GLU A 56 -17.740 13.908 -14.660 1.00 0.00 H +ATOM 929 N SER A 57 -14.493 14.683 -11.810 1.00 0.00 N +ATOM 930 CA SER A 57 -13.148 14.137 -11.681 1.00 0.00 C +ATOM 931 C SER A 57 -13.073 13.122 -10.545 1.00 0.00 C +ATOM 932 O SER A 57 -12.386 12.106 -10.653 1.00 0.00 O +ATOM 933 CB SER A 57 -12.150 15.256 -11.458 1.00 0.00 C +ATOM 934 OG SER A 57 -12.073 16.119 -12.559 1.00 0.00 O +ATOM 935 H SER A 57 -14.640 15.671 -11.650 1.00 0.00 H +ATOM 936 HA SER A 57 -12.859 13.580 -12.572 1.00 0.00 H +ATOM 937 1HB SER A 57 -12.455 15.825 -10.581 1.00 0.00 H +ATOM 938 2HB SER A 57 -11.168 14.818 -11.282 1.00 0.00 H +ATOM 939 HG SER A 57 -11.436 16.814 -12.376 1.00 0.00 H +ATOM 940 N ILE A 58 -13.782 13.407 -9.460 1.00 0.00 N +ATOM 941 CA ILE A 58 -13.867 12.480 -8.337 1.00 0.00 C +ATOM 942 C ILE A 58 -14.490 11.155 -8.763 1.00 0.00 C +ATOM 943 O ILE A 58 -13.987 10.084 -8.420 1.00 0.00 O +ATOM 944 CB ILE A 58 -14.686 13.072 -7.175 1.00 0.00 C +ATOM 945 CG1 ILE A 58 -13.908 14.202 -6.495 1.00 0.00 C +ATOM 946 CG2 ILE A 58 -15.044 11.988 -6.170 1.00 0.00 C +ATOM 947 CD1 ILE A 58 -14.743 15.034 -5.549 1.00 0.00 C +ATOM 948 H ILE A 58 -14.276 14.285 -9.408 1.00 0.00 H +ATOM 949 HA ILE A 58 -12.877 12.216 -7.964 1.00 0.00 H +ATOM 950 HB ILE A 58 -15.598 13.514 -7.573 1.00 0.00 H +ATOM 951 1HG1 ILE A 58 -13.085 13.745 -5.947 1.00 0.00 H +ATOM 952 2HG1 ILE A 58 -13.508 14.840 -7.283 1.00 0.00 H +ATOM 953 1HG2 ILE A 58 -15.622 12.423 -5.355 1.00 0.00 H +ATOM 954 2HG2 ILE A 58 -15.635 11.217 -6.662 1.00 0.00 H +ATOM 955 3HG2 ILE A 58 -14.131 11.545 -5.771 1.00 0.00 H +ATOM 956 1HD1 ILE A 58 -14.123 15.814 -5.106 1.00 0.00 H +ATOM 957 2HD1 ILE A 58 -15.567 15.493 -6.096 1.00 0.00 H +ATOM 958 3HD1 ILE A 58 -15.142 14.399 -4.759 1.00 0.00 H +ATOM 959 N SER A 59 -15.585 11.235 -9.511 1.00 0.00 N +ATOM 960 CA SER A 59 -16.265 10.044 -10.002 1.00 0.00 C +ATOM 961 C SER A 59 -15.366 9.236 -10.928 1.00 0.00 C +ATOM 962 O SER A 59 -15.331 8.008 -10.860 1.00 0.00 O +ATOM 963 CB SER A 59 -17.546 10.433 -10.715 1.00 0.00 C +ATOM 964 OG SER A 59 -18.502 10.954 -9.834 1.00 0.00 O +ATOM 965 H SER A 59 -15.954 12.147 -9.744 1.00 0.00 H +ATOM 966 HA SER A 59 -16.511 9.362 -9.186 1.00 0.00 H +ATOM 967 1HB SER A 59 -17.310 11.186 -11.467 1.00 0.00 H +ATOM 968 2HB SER A 59 -17.956 9.550 -11.202 1.00 0.00 H +ATOM 969 HG SER A 59 -18.799 10.261 -9.238 1.00 0.00 H +ATOM 970 N GLU A 60 -14.639 9.935 -11.794 1.00 0.00 N +ATOM 971 CA GLU A 60 -13.737 9.285 -12.738 1.00 0.00 C +ATOM 972 C GLU A 60 -12.658 8.494 -12.011 1.00 0.00 C +ATOM 973 O GLU A 60 -12.411 7.330 -12.323 1.00 0.00 O +ATOM 974 CB GLU A 60 -13.097 10.318 -13.667 1.00 0.00 C +ATOM 975 CG GLU A 60 -12.029 9.754 -14.594 1.00 0.00 C +ATOM 976 CD GLU A 60 -12.626 8.817 -15.608 1.00 0.00 C +ATOM 977 OE1 GLU A 60 -13.827 8.788 -15.726 1.00 0.00 O +ATOM 978 OE2 GLU A 60 -11.879 8.215 -16.342 1.00 0.00 O +ATOM 979 H GLU A 60 -14.714 10.943 -11.800 1.00 0.00 H +ATOM 980 HA GLU A 60 -14.263 8.548 -13.345 1.00 0.00 H +ATOM 981 1HB GLU A 60 -13.900 10.753 -14.262 1.00 0.00 H +ATOM 982 2HB GLU A 60 -12.656 11.087 -13.033 1.00 0.00 H +ATOM 983 1HG GLU A 60 -11.450 10.521 -15.106 1.00 0.00 H +ATOM 984 2HG GLU A 60 -11.377 9.195 -13.924 1.00 0.00 H +ATOM 985 N ILE A 61 -12.015 9.136 -11.040 1.00 0.00 N +ATOM 986 CA ILE A 61 -10.922 8.512 -10.303 1.00 0.00 C +ATOM 987 C ILE A 61 -11.412 7.318 -9.492 1.00 0.00 C +ATOM 988 O ILE A 61 -10.832 6.236 -9.550 1.00 0.00 O +ATOM 989 CB ILE A 61 -10.234 9.514 -9.358 1.00 0.00 C +ATOM 990 CG1 ILE A 61 -9.498 10.588 -10.164 1.00 0.00 C +ATOM 991 CG2 ILE A 61 -9.274 8.793 -8.426 1.00 0.00 C +ATOM 992 CD1 ILE A 61 -9.046 11.769 -9.336 1.00 0.00 C +ATOM 993 H ILE A 61 -12.290 10.077 -10.806 1.00 0.00 H +ATOM 994 HA ILE A 61 -10.170 8.099 -10.978 1.00 0.00 H +ATOM 995 HB ILE A 61 -10.994 10.028 -8.771 1.00 0.00 H +ATOM 996 1HG1 ILE A 61 -8.632 10.113 -10.623 1.00 0.00 H +ATOM 997 2HG1 ILE A 61 -10.179 10.931 -10.944 1.00 0.00 H +ATOM 998 1HG2 ILE A 61 -8.796 9.516 -7.765 1.00 0.00 H +ATOM 999 2HG2 ILE A 61 -9.823 8.065 -7.829 1.00 0.00 H +ATOM 1000 3HG2 ILE A 61 -8.512 8.279 -9.013 1.00 0.00 H +ATOM 1001 1HD1 ILE A 61 -8.533 12.488 -9.976 1.00 0.00 H +ATOM 1002 2HD1 ILE A 61 -9.912 12.247 -8.877 1.00 0.00 H +ATOM 1003 3HD1 ILE A 61 -8.365 11.429 -8.557 1.00 0.00 H +ATOM 1004 N ILE A 62 -12.485 7.526 -8.736 1.00 0.00 N +ATOM 1005 CA ILE A 62 -13.046 6.474 -7.897 1.00 0.00 C +ATOM 1006 C ILE A 62 -13.393 5.241 -8.721 1.00 0.00 C +ATOM 1007 O ILE A 62 -13.087 4.114 -8.328 1.00 0.00 O +ATOM 1008 CB ILE A 62 -14.305 6.954 -7.153 1.00 0.00 C +ATOM 1009 CG1 ILE A 62 -13.931 7.975 -6.075 1.00 0.00 C +ATOM 1010 CG2 ILE A 62 -15.043 5.774 -6.539 1.00 0.00 C +ATOM 1011 CD1 ILE A 62 -15.121 8.661 -5.444 1.00 0.00 C +ATOM 1012 H ILE A 62 -12.923 8.436 -8.740 1.00 0.00 H +ATOM 1013 HA ILE A 62 -12.319 6.124 -7.163 1.00 0.00 H +ATOM 1014 HB ILE A 62 -14.959 7.467 -7.857 1.00 0.00 H +ATOM 1015 1HG1 ILE A 62 -13.367 7.445 -5.307 1.00 0.00 H +ATOM 1016 2HG1 ILE A 62 -13.289 8.721 -6.544 1.00 0.00 H +ATOM 1017 1HG2 ILE A 62 -15.930 6.132 -6.017 1.00 0.00 H +ATOM 1018 2HG2 ILE A 62 -15.340 5.083 -7.326 1.00 0.00 H +ATOM 1019 3HG2 ILE A 62 -14.389 5.262 -5.834 1.00 0.00 H +ATOM 1020 1HD1 ILE A 62 -14.777 9.370 -4.690 1.00 0.00 H +ATOM 1021 2HD1 ILE A 62 -15.685 9.193 -6.211 1.00 0.00 H +ATOM 1022 3HD1 ILE A 62 -15.763 7.917 -4.973 1.00 0.00 H +ATOM 1023 N LYS A 63 -14.036 5.459 -9.863 1.00 0.00 N +ATOM 1024 CA LYS A 63 -14.439 4.364 -10.736 1.00 0.00 C +ATOM 1025 C LYS A 63 -13.236 3.536 -11.171 1.00 0.00 C +ATOM 1026 O LYS A 63 -13.199 2.323 -10.962 1.00 0.00 O +ATOM 1027 CB LYS A 63 -15.179 4.903 -11.962 1.00 0.00 C +ATOM 1028 CG LYS A 63 -15.621 3.832 -12.950 1.00 0.00 C +ATOM 1029 CD LYS A 63 -16.363 4.441 -14.131 1.00 0.00 C +ATOM 1030 CE LYS A 63 -16.751 3.379 -15.149 1.00 0.00 C +ATOM 1031 NZ LYS A 63 -17.434 3.966 -16.333 1.00 0.00 N +ATOM 1032 H LYS A 63 -14.252 6.409 -10.131 1.00 0.00 H +ATOM 1033 HA LYS A 63 -15.092 3.662 -10.218 1.00 0.00 H +ATOM 1034 1HB LYS A 63 -16.053 5.442 -11.596 1.00 0.00 H +ATOM 1035 2HB LYS A 63 -14.506 5.600 -12.461 1.00 0.00 H +ATOM 1036 1HG LYS A 63 -14.736 3.305 -13.309 1.00 0.00 H +ATOM 1037 2HG LYS A 63 -16.275 3.131 -12.432 1.00 0.00 H +ATOM 1038 1HD LYS A 63 -17.262 4.934 -13.759 1.00 0.00 H +ATOM 1039 2HD LYS A 63 -15.715 5.178 -14.605 1.00 0.00 H +ATOM 1040 1HE LYS A 63 -15.845 2.866 -15.470 1.00 0.00 H +ATOM 1041 2HE LYS A 63 -17.417 2.667 -14.663 1.00 0.00 H +ATOM 1042 1HZ LYS A 63 -17.674 3.231 -16.983 1.00 0.00 H +ATOM 1043 2HZ LYS A 63 -18.275 4.441 -16.036 1.00 0.00 H +ATOM 1044 3HZ LYS A 63 -16.817 4.626 -16.785 1.00 0.00 H +ATOM 1045 N GLN A 64 -12.255 4.197 -11.774 1.00 0.00 N +ATOM 1046 CA GLN A 64 -11.131 3.503 -12.392 1.00 0.00 C +ATOM 1047 C GLN A 64 -10.250 2.841 -11.339 1.00 0.00 C +ATOM 1048 O GLN A 64 -9.724 1.749 -11.557 1.00 0.00 O +ATOM 1049 CB GLN A 64 -10.295 4.476 -13.228 1.00 0.00 C +ATOM 1050 CG GLN A 64 -11.001 4.996 -14.468 1.00 0.00 C +ATOM 1051 CD GLN A 64 -11.410 3.882 -15.412 1.00 0.00 C +ATOM 1052 OE1 GLN A 64 -10.643 2.947 -15.660 1.00 0.00 O +ATOM 1053 NE2 GLN A 64 -12.621 3.977 -15.950 1.00 0.00 N +ATOM 1054 H GLN A 64 -12.289 5.205 -11.809 1.00 0.00 H +ATOM 1055 HA GLN A 64 -11.467 2.687 -13.029 1.00 0.00 H +ATOM 1056 1HB GLN A 64 -10.033 5.309 -12.575 1.00 0.00 H +ATOM 1057 2HB GLN A 64 -9.389 3.944 -13.517 1.00 0.00 H +ATOM 1058 1HG GLN A 64 -11.820 5.714 -14.423 1.00 0.00 H +ATOM 1059 2HG GLN A 64 -10.115 5.485 -14.874 1.00 0.00 H +ATOM 1060 1HE2 GLN A 64 -12.945 3.271 -16.581 1.00 0.00 H +ATOM 1061 2HE2 GLN A 64 -13.209 4.753 -15.724 1.00 0.00 H +ATOM 1062 N VAL A 65 -10.095 3.505 -10.201 1.00 0.00 N +ATOM 1063 CA VAL A 65 -9.192 3.032 -9.155 1.00 0.00 C +ATOM 1064 C VAL A 65 -9.781 1.834 -8.421 1.00 0.00 C +ATOM 1065 O VAL A 65 -9.061 0.904 -8.059 1.00 0.00 O +ATOM 1066 CB VAL A 65 -8.876 4.142 -8.136 1.00 0.00 C +ATOM 1067 CG1 VAL A 65 -8.087 3.579 -6.963 1.00 0.00 C +ATOM 1068 CG2 VAL A 65 -8.104 5.272 -8.800 1.00 0.00 C +ATOM 1069 H VAL A 65 -10.614 4.359 -10.054 1.00 0.00 H +ATOM 1070 HA VAL A 65 -8.254 2.671 -9.576 1.00 0.00 H +ATOM 1071 HB VAL A 65 -9.812 4.567 -7.773 1.00 0.00 H +ATOM 1072 1HG1 VAL A 65 -7.873 4.377 -6.251 1.00 0.00 H +ATOM 1073 2HG1 VAL A 65 -8.673 2.802 -6.470 1.00 0.00 H +ATOM 1074 3HG1 VAL A 65 -7.151 3.154 -7.324 1.00 0.00 H +ATOM 1075 1HG2 VAL A 65 -7.890 6.048 -8.066 1.00 0.00 H +ATOM 1076 2HG2 VAL A 65 -7.169 4.885 -9.204 1.00 0.00 H +ATOM 1077 3HG2 VAL A 65 -8.702 5.694 -9.609 1.00 0.00 H +ATOM 1078 N LEU A 66 -11.090 1.862 -8.205 1.00 0.00 N +ATOM 1079 CA LEU A 66 -11.795 0.726 -7.623 1.00 0.00 C +ATOM 1080 C LEU A 66 -11.775 -0.473 -8.560 1.00 0.00 C +ATOM 1081 O LEU A 66 -11.644 -1.614 -8.121 1.00 0.00 O +ATOM 1082 CB LEU A 66 -13.240 1.116 -7.285 1.00 0.00 C +ATOM 1083 CG LEU A 66 -13.400 2.039 -6.070 1.00 0.00 C +ATOM 1084 CD1 LEU A 66 -14.865 2.416 -5.890 1.00 0.00 C +ATOM 1085 CD2 LEU A 66 -12.866 1.342 -4.828 1.00 0.00 C +ATOM 1086 H LEU A 66 -11.611 2.693 -8.449 1.00 0.00 H +ATOM 1087 HA LEU A 66 -11.306 0.379 -6.714 1.00 0.00 H +ATOM 1088 1HB LEU A 66 -13.497 1.651 -8.198 1.00 0.00 H +ATOM 1089 2HB LEU A 66 -13.881 0.240 -7.185 1.00 0.00 H +ATOM 1090 HG LEU A 66 -12.784 2.920 -6.250 1.00 0.00 H +ATOM 1091 1HD1 LEU A 66 -14.969 3.071 -5.026 1.00 0.00 H +ATOM 1092 2HD1 LEU A 66 -15.219 2.933 -6.782 1.00 0.00 H +ATOM 1093 3HD1 LEU A 66 -15.455 1.514 -5.734 1.00 0.00 H +ATOM 1094 1HD2 LEU A 66 -12.980 2.000 -3.965 1.00 0.00 H +ATOM 1095 2HD2 LEU A 66 -13.423 0.421 -4.659 1.00 0.00 H +ATOM 1096 3HD2 LEU A 66 -11.811 1.107 -4.967 1.00 0.00 H +ATOM 1097 N ASP A 67 -11.903 -0.208 -9.855 1.00 0.00 N +ATOM 1098 CA ASP A 67 -11.810 -1.256 -10.867 1.00 0.00 C +ATOM 1099 C ASP A 67 -10.435 -1.910 -10.853 1.00 0.00 C +ATOM 1100 O ASP A 67 -10.316 -3.124 -11.011 1.00 0.00 O +ATOM 1101 CB ASP A 67 -12.108 -0.690 -12.258 1.00 0.00 C +ATOM 1102 CG ASP A 67 -13.577 -0.376 -12.507 1.00 0.00 C +ATOM 1103 OD1 ASP A 67 -14.396 -0.795 -11.723 1.00 0.00 O +ATOM 1104 OD2 ASP A 67 -13.856 0.406 -13.385 1.00 0.00 O +ATOM 1105 H ASP A 67 -12.072 0.744 -10.150 1.00 0.00 H +ATOM 1106 HA ASP A 67 -12.509 -2.067 -10.663 1.00 0.00 H +ATOM 1107 1HB ASP A 67 -11.503 0.181 -12.511 1.00 0.00 H +ATOM 1108 2HB ASP A 67 -11.808 -1.535 -12.878 1.00 0.00 H +ATOM 1109 N SER A 68 -9.400 -1.100 -10.668 1.00 0.00 N +ATOM 1110 CA SER A 68 -8.038 -1.607 -10.558 1.00 0.00 C +ATOM 1111 C SER A 68 -7.853 -2.414 -9.281 1.00 0.00 C +ATOM 1112 O SER A 68 -7.193 -3.453 -9.280 1.00 0.00 O +ATOM 1113 CB SER A 68 -7.048 -0.460 -10.607 1.00 0.00 C +ATOM 1114 OG SER A 68 -7.041 0.177 -11.855 1.00 0.00 O +ATOM 1115 H SER A 68 -9.561 -0.102 -10.601 1.00 0.00 H +ATOM 1116 HA SER A 68 -7.809 -2.305 -11.365 1.00 0.00 H +ATOM 1117 1HB SER A 68 -7.317 0.265 -9.840 1.00 0.00 H +ATOM 1118 2HB SER A 68 -6.051 -0.850 -10.402 1.00 0.00 H +ATOM 1119 HG SER A 68 -7.915 0.529 -12.038 1.00 0.00 H +ATOM 1120 N GLY A 69 -8.440 -1.930 -8.191 1.00 0.00 N +ATOM 1121 CA GLY A 69 -8.402 -2.643 -6.920 1.00 0.00 C +ATOM 1122 C GLY A 69 -7.527 -1.916 -5.906 1.00 0.00 C +ATOM 1123 O GLY A 69 -6.862 -2.544 -5.081 1.00 0.00 O +ATOM 1124 H GLY A 69 -8.922 -1.045 -8.244 1.00 0.00 H +ATOM 1125 1HA GLY A 69 -9.416 -2.720 -6.524 1.00 0.00 H +ATOM 1126 2HA GLY A 69 -8.002 -3.641 -7.081 1.00 0.00 H +ATOM 1127 N ALA A 70 -7.530 -0.589 -5.972 1.00 0.00 N +ATOM 1128 CA ALA A 70 -6.777 0.229 -5.028 1.00 0.00 C +ATOM 1129 C ALA A 70 -7.700 1.142 -4.233 1.00 0.00 C +ATOM 1130 O ALA A 70 -8.896 1.235 -4.517 1.00 0.00 O +ATOM 1131 CB ALA A 70 -5.720 1.043 -5.758 1.00 0.00 C +ATOM 1132 H ALA A 70 -8.070 -0.133 -6.695 1.00 0.00 H +ATOM 1133 HA ALA A 70 -6.283 -0.389 -4.277 1.00 0.00 H +ATOM 1134 1HB ALA A 70 -5.167 1.649 -5.039 1.00 0.00 H +ATOM 1135 2HB ALA A 70 -5.032 0.372 -6.271 1.00 0.00 H +ATOM 1136 3HB ALA A 70 -6.201 1.695 -6.486 1.00 0.00 H +ATOM 1137 N LYS A 71 -7.139 1.820 -3.237 1.00 0.00 N +ATOM 1138 CA LYS A 71 -7.929 2.648 -2.334 1.00 0.00 C +ATOM 1139 C LYS A 71 -7.918 4.107 -2.776 1.00 0.00 C +ATOM 1140 O LYS A 71 -6.973 4.566 -3.412 1.00 0.00 O +ATOM 1141 CB LYS A 71 -7.405 2.527 -0.902 1.00 0.00 C +ATOM 1142 CG LYS A 71 -7.532 1.134 -0.301 1.00 0.00 C +ATOM 1143 CD LYS A 71 -7.021 1.101 1.132 1.00 0.00 C +ATOM 1144 CE LYS A 71 -7.217 -0.272 1.759 1.00 0.00 C +ATOM 1145 NZ LYS A 71 -6.815 -0.293 3.191 1.00 0.00 N +ATOM 1146 H LYS A 71 -6.141 1.758 -3.102 1.00 0.00 H +ATOM 1147 HA LYS A 71 -8.980 2.359 -2.347 1.00 0.00 H +ATOM 1148 1HB LYS A 71 -6.355 2.820 -0.920 1.00 0.00 H +ATOM 1149 2HB LYS A 71 -7.968 3.236 -0.294 1.00 0.00 H +ATOM 1150 1HG LYS A 71 -8.583 0.843 -0.319 1.00 0.00 H +ATOM 1151 2HG LYS A 71 -6.953 0.440 -0.909 1.00 0.00 H +ATOM 1152 1HD LYS A 71 -5.960 1.351 1.128 1.00 0.00 H +ATOM 1153 2HD LYS A 71 -7.567 1.845 1.713 1.00 0.00 H +ATOM 1154 1HE LYS A 71 -8.269 -0.540 1.673 1.00 0.00 H +ATOM 1155 2HE LYS A 71 -6.614 -0.990 1.203 1.00 0.00 H +ATOM 1156 1HZ LYS A 71 -6.959 -1.219 3.568 1.00 0.00 H +ATOM 1157 2HZ LYS A 71 -5.838 -0.045 3.271 1.00 0.00 H +ATOM 1158 3HZ LYS A 71 -7.374 0.372 3.707 1.00 0.00 H +ATOM 1159 N VAL A 72 -8.980 4.831 -2.431 1.00 0.00 N +ATOM 1160 CA VAL A 72 -9.125 6.222 -2.845 1.00 0.00 C +ATOM 1161 C VAL A 72 -9.384 7.126 -1.648 1.00 0.00 C +ATOM 1162 O VAL A 72 -10.196 6.806 -0.778 1.00 0.00 O +ATOM 1163 CB VAL A 72 -10.267 6.394 -3.864 1.00 0.00 C +ATOM 1164 CG1 VAL A 72 -10.408 7.855 -4.265 1.00 0.00 C +ATOM 1165 CG2 VAL A 72 -10.023 5.527 -5.090 1.00 0.00 C +ATOM 1166 H VAL A 72 -9.706 4.404 -1.871 1.00 0.00 H +ATOM 1167 HA VAL A 72 -8.205 6.600 -3.290 1.00 0.00 H +ATOM 1168 HB VAL A 72 -11.198 6.049 -3.413 1.00 0.00 H +ATOM 1169 1HG1 VAL A 72 -11.220 7.958 -4.985 1.00 0.00 H +ATOM 1170 2HG1 VAL A 72 -10.628 8.455 -3.382 1.00 0.00 H +ATOM 1171 3HG1 VAL A 72 -9.478 8.199 -4.716 1.00 0.00 H +ATOM 1172 1HG2 VAL A 72 -10.840 5.661 -5.799 1.00 0.00 H +ATOM 1173 2HG2 VAL A 72 -9.083 5.819 -5.559 1.00 0.00 H +ATOM 1174 3HG2 VAL A 72 -9.970 4.480 -4.791 1.00 0.00 H +ATOM 1175 N LEU A 73 -8.689 8.258 -1.606 1.00 0.00 N +ATOM 1176 CA LEU A 73 -8.988 9.307 -0.639 1.00 0.00 C +ATOM 1177 C LEU A 73 -9.469 10.575 -1.335 1.00 0.00 C +ATOM 1178 O LEU A 73 -8.748 11.162 -2.142 1.00 0.00 O +ATOM 1179 CB LEU A 73 -7.753 9.604 0.221 1.00 0.00 C +ATOM 1180 CG LEU A 73 -7.923 10.739 1.238 1.00 0.00 C +ATOM 1181 CD1 LEU A 73 -8.974 10.360 2.273 1.00 0.00 C +ATOM 1182 CD2 LEU A 73 -6.587 11.028 1.906 1.00 0.00 C +ATOM 1183 H LEU A 73 -7.932 8.396 -2.261 1.00 0.00 H +ATOM 1184 HA LEU A 73 -9.811 9.021 0.015 1.00 0.00 H +ATOM 1185 1HB LEU A 73 -7.663 8.650 0.737 1.00 0.00 H +ATOM 1186 2HB LEU A 73 -6.867 9.771 -0.391 1.00 0.00 H +ATOM 1187 HG LEU A 73 -8.218 11.630 0.683 1.00 0.00 H +ATOM 1188 1HD1 LEU A 73 -9.088 11.172 2.991 1.00 0.00 H +ATOM 1189 2HD1 LEU A 73 -9.927 10.180 1.776 1.00 0.00 H +ATOM 1190 3HD1 LEU A 73 -8.660 9.456 2.795 1.00 0.00 H +ATOM 1191 1HD2 LEU A 73 -6.710 11.836 2.629 1.00 0.00 H +ATOM 1192 2HD2 LEU A 73 -6.235 10.133 2.418 1.00 0.00 H +ATOM 1193 3HD2 LEU A 73 -5.859 11.325 1.151 1.00 0.00 H +ATOM 1194 N ILE A 74 -10.690 10.992 -1.014 1.00 0.00 N +ATOM 1195 CA ILE A 74 -11.254 12.213 -1.582 1.00 0.00 C +ATOM 1196 C ILE A 74 -11.110 13.386 -0.619 1.00 0.00 C +ATOM 1197 O ILE A 74 -11.737 13.410 0.440 1.00 0.00 O +ATOM 1198 CB ILE A 74 -12.741 12.035 -1.940 1.00 0.00 C +ATOM 1199 CG1 ILE A 74 -12.928 10.820 -2.853 1.00 0.00 C +ATOM 1200 CG2 ILE A 74 -13.282 13.292 -2.603 1.00 0.00 C +ATOM 1201 CD1 ILE A 74 -12.119 10.884 -4.128 1.00 0.00 C +ATOM 1202 H ILE A 74 -11.238 10.453 -0.362 1.00 0.00 H +ATOM 1203 HA ILE A 74 -10.716 12.519 -2.478 1.00 0.00 H +ATOM 1204 HB ILE A 74 -13.304 11.833 -1.029 1.00 0.00 H +ATOM 1205 1HG1 ILE A 74 -12.638 9.938 -2.282 1.00 0.00 H +ATOM 1206 2HG1 ILE A 74 -13.989 10.760 -3.098 1.00 0.00 H +ATOM 1207 1HG2 ILE A 74 -14.334 13.148 -2.851 1.00 0.00 H +ATOM 1208 2HG2 ILE A 74 -13.182 14.135 -1.922 1.00 0.00 H +ATOM 1209 3HG2 ILE A 74 -12.719 13.493 -3.515 1.00 0.00 H +ATOM 1210 1HD1 ILE A 74 -12.304 9.989 -4.723 1.00 0.00 H +ATOM 1211 2HD1 ILE A 74 -12.409 11.766 -4.700 1.00 0.00 H +ATOM 1212 3HD1 ILE A 74 -11.059 10.942 -3.885 1.00 0.00 H +ATOM 1213 N LEU A 75 -10.280 14.353 -0.995 1.00 0.00 N +ATOM 1214 CA LEU A 75 -10.077 15.545 -0.180 1.00 0.00 C +ATOM 1215 C LEU A 75 -10.827 16.739 -0.760 1.00 0.00 C +ATOM 1216 O LEU A 75 -10.529 17.195 -1.866 1.00 0.00 O +ATOM 1217 CB LEU A 75 -8.580 15.859 -0.064 1.00 0.00 C +ATOM 1218 CG LEU A 75 -7.737 14.775 0.619 1.00 0.00 C +ATOM 1219 CD1 LEU A 75 -6.269 15.180 0.623 1.00 0.00 C +ATOM 1220 CD2 LEU A 75 -8.240 14.559 2.039 1.00 0.00 C +ATOM 1221 H LEU A 75 -9.777 14.260 -1.864 1.00 0.00 H +ATOM 1222 HA LEU A 75 -10.489 15.415 0.820 1.00 0.00 H +ATOM 1223 1HB LEU A 75 -8.328 15.917 -1.122 1.00 0.00 H +ATOM 1224 2HB LEU A 75 -8.406 16.828 0.404 1.00 0.00 H +ATOM 1225 HG LEU A 75 -7.891 13.848 0.066 1.00 0.00 H +ATOM 1226 1HD1 LEU A 75 -5.678 14.404 1.110 1.00 0.00 H +ATOM 1227 2HD1 LEU A 75 -5.924 15.307 -0.404 1.00 0.00 H +ATOM 1228 3HD1 LEU A 75 -6.152 16.118 1.164 1.00 0.00 H +ATOM 1229 1HD2 LEU A 75 -7.640 13.788 2.523 1.00 0.00 H +ATOM 1230 2HD2 LEU A 75 -8.157 15.490 2.601 1.00 0.00 H +ATOM 1231 3HD2 LEU A 75 -9.283 14.243 2.012 1.00 0.00 H +ATOM 1232 N SER A 76 -11.799 17.243 -0.010 1.00 0.00 N +ATOM 1233 CA SER A 76 -12.605 18.374 -0.450 1.00 0.00 C +ATOM 1234 C SER A 76 -12.818 19.373 0.681 1.00 0.00 C +ATOM 1235 O SER A 76 -12.750 19.017 1.856 1.00 0.00 O +ATOM 1236 CB SER A 76 -13.938 17.889 -0.985 1.00 0.00 C +ATOM 1237 OG SER A 76 -13.786 17.064 -2.107 1.00 0.00 O +ATOM 1238 H SER A 76 -11.989 16.827 0.894 1.00 0.00 H +ATOM 1239 HA SER A 76 -12.094 18.942 -1.231 1.00 0.00 H +ATOM 1240 1HB SER A 76 -14.445 17.329 -0.199 1.00 0.00 H +ATOM 1241 2HB SER A 76 -14.540 18.754 -1.259 1.00 0.00 H +ATOM 1242 HG SER A 76 -13.321 17.544 -2.796 1.00 0.00 H +ATOM 1243 N SER A 77 -13.075 20.626 0.317 1.00 0.00 N +ATOM 1244 CA SER A 77 -13.308 21.676 1.302 1.00 0.00 C +ATOM 1245 C SER A 77 -14.768 21.711 1.735 1.00 0.00 C +ATOM 1246 O SER A 77 -15.071 21.899 2.913 1.00 0.00 O +ATOM 1247 CB SER A 77 -12.893 23.021 0.738 1.00 0.00 C +ATOM 1248 OG SER A 77 -11.535 23.050 0.394 1.00 0.00 O +ATOM 1249 H SER A 77 -13.110 20.855 -0.666 1.00 0.00 H +ATOM 1250 HA SER A 77 -12.748 21.492 2.219 1.00 0.00 H +ATOM 1251 1HB SER A 77 -13.488 23.226 -0.150 1.00 0.00 H +ATOM 1252 2HB SER A 77 -13.085 23.788 1.488 1.00 0.00 H +ATOM 1253 HG SER A 77 -11.049 22.440 0.954 1.00 0.00 H +ATOM 1254 N ASP A 78 -15.669 21.523 0.777 1.00 0.00 N +ATOM 1255 CA ASP A 78 -17.101 21.579 1.050 1.00 0.00 C +ATOM 1256 C ASP A 78 -17.593 20.284 1.684 1.00 0.00 C +ATOM 1257 O ASP A 78 -17.522 19.218 1.073 1.00 0.00 O +ATOM 1258 CB ASP A 78 -17.881 21.865 -0.236 1.00 0.00 C +ATOM 1259 CG ASP A 78 -19.381 22.036 -0.036 1.00 0.00 C +ATOM 1260 OD1 ASP A 78 -19.832 21.899 1.076 1.00 0.00 O +ATOM 1261 OD2 ASP A 78 -20.038 22.455 -0.959 1.00 0.00 O +ATOM 1262 H ASP A 78 -15.356 21.337 -0.164 1.00 0.00 H +ATOM 1263 HA ASP A 78 -17.336 22.355 1.779 1.00 0.00 H +ATOM 1264 1HB ASP A 78 -17.491 22.711 -0.801 1.00 0.00 H +ATOM 1265 2HB ASP A 78 -17.691 20.941 -0.784 1.00 0.00 H +ATOM 1266 N GLU A 79 -18.093 20.386 2.911 1.00 0.00 N +ATOM 1267 CA GLU A 79 -18.556 19.216 3.648 1.00 0.00 C +ATOM 1268 C GLU A 79 -19.763 18.580 2.971 1.00 0.00 C +ATOM 1269 O GLU A 79 -20.012 17.384 3.122 1.00 0.00 O +ATOM 1270 CB GLU A 79 -18.901 19.592 5.091 1.00 0.00 C +ATOM 1271 CG GLU A 79 -17.695 19.909 5.963 1.00 0.00 C +ATOM 1272 CD GLU A 79 -18.115 20.332 7.343 1.00 0.00 C +ATOM 1273 OE1 GLU A 79 -19.294 20.454 7.574 1.00 0.00 O +ATOM 1274 OE2 GLU A 79 -17.266 20.425 8.199 1.00 0.00 O +ATOM 1275 H GLU A 79 -18.151 21.296 3.345 1.00 0.00 H +ATOM 1276 HA GLU A 79 -17.799 18.432 3.665 1.00 0.00 H +ATOM 1277 1HB GLU A 79 -19.554 20.464 5.045 1.00 0.00 H +ATOM 1278 2HB GLU A 79 -19.447 18.751 5.518 1.00 0.00 H +ATOM 1279 1HG GLU A 79 -16.985 19.086 6.037 1.00 0.00 H +ATOM 1280 2HG GLU A 79 -17.224 20.749 5.454 1.00 0.00 H +ATOM 1281 N ASN A 80 -20.506 19.386 2.220 1.00 0.00 N +ATOM 1282 CA ASN A 80 -21.637 18.886 1.449 1.00 0.00 C +ATOM 1283 C ASN A 80 -21.175 17.940 0.347 1.00 0.00 C +ATOM 1284 O ASN A 80 -21.799 16.906 0.103 1.00 0.00 O +ATOM 1285 CB ASN A 80 -22.453 20.022 0.858 1.00 0.00 C +ATOM 1286 CG ASN A 80 -23.269 20.772 1.873 1.00 0.00 C +ATOM 1287 OD1 ASN A 80 -23.563 20.264 2.962 1.00 0.00 O +ATOM 1288 ND2 ASN A 80 -23.705 21.946 1.492 1.00 0.00 N +ATOM 1289 H ASN A 80 -20.284 20.370 2.185 1.00 0.00 H +ATOM 1290 HA ASN A 80 -22.308 18.289 2.067 1.00 0.00 H +ATOM 1291 1HB ASN A 80 -22.000 20.733 0.167 1.00 0.00 H +ATOM 1292 2HB ASN A 80 -23.110 19.348 0.308 1.00 0.00 H +ATOM 1293 1HD2 ASN A 80 -24.254 22.502 2.116 1.00 0.00 H +ATOM 1294 2HD2 ASN A 80 -23.488 22.286 0.577 1.00 0.00 H +ATOM 1295 N ILE A 81 -20.082 18.299 -0.316 1.00 0.00 N +ATOM 1296 CA ILE A 81 -19.479 17.435 -1.324 1.00 0.00 C +ATOM 1297 C ILE A 81 -18.888 16.181 -0.692 1.00 0.00 C +ATOM 1298 O ILE A 81 -18.998 15.087 -1.243 1.00 0.00 O +ATOM 1299 CB ILE A 81 -18.378 18.168 -2.112 1.00 0.00 C +ATOM 1300 CG1 ILE A 81 -18.987 19.280 -2.971 1.00 0.00 C +ATOM 1301 CG2 ILE A 81 -17.601 17.189 -2.978 1.00 0.00 C +ATOM 1302 CD1 ILE A 81 -17.962 20.189 -3.610 1.00 0.00 C +ATOM 1303 H ILE A 81 -19.657 19.192 -0.115 1.00 0.00 H +ATOM 1304 HA ILE A 81 -20.224 17.068 -2.031 1.00 0.00 H +ATOM 1305 HB ILE A 81 -17.699 18.650 -1.410 1.00 0.00 H +ATOM 1306 1HG1 ILE A 81 -19.583 18.801 -3.747 1.00 0.00 H +ATOM 1307 2HG1 ILE A 81 -19.640 19.868 -2.324 1.00 0.00 H +ATOM 1308 1HG2 ILE A 81 -16.828 17.724 -3.529 1.00 0.00 H +ATOM 1309 2HG2 ILE A 81 -17.138 16.432 -2.346 1.00 0.00 H +ATOM 1310 3HG2 ILE A 81 -18.280 16.707 -3.682 1.00 0.00 H +ATOM 1311 1HD1 ILE A 81 -18.470 20.951 -4.202 1.00 0.00 H +ATOM 1312 2HD1 ILE A 81 -17.366 20.670 -2.834 1.00 0.00 H +ATOM 1313 3HD1 ILE A 81 -17.310 19.604 -4.257 1.00 0.00 H +ATOM 1314 N ILE A 82 -18.258 16.349 0.467 1.00 0.00 N +ATOM 1315 CA ILE A 82 -17.668 15.225 1.186 1.00 0.00 C +ATOM 1316 C ILE A 82 -18.717 14.171 1.513 1.00 0.00 C +ATOM 1317 O ILE A 82 -18.505 12.980 1.284 1.00 0.00 O +ATOM 1318 CB ILE A 82 -16.989 15.681 2.490 1.00 0.00 C +ATOM 1319 CG1 ILE A 82 -15.761 16.541 2.180 1.00 0.00 C +ATOM 1320 CG2 ILE A 82 -16.600 14.478 3.337 1.00 0.00 C +ATOM 1321 CD1 ILE A 82 -15.199 17.260 3.385 1.00 0.00 C +ATOM 1322 H ILE A 82 -18.185 17.278 0.858 1.00 0.00 H +ATOM 1323 HA ILE A 82 -16.929 14.706 0.575 1.00 0.00 H +ATOM 1324 HB ILE A 82 -17.680 16.311 3.050 1.00 0.00 H +ATOM 1325 1HG1 ILE A 82 -15.000 15.882 1.763 1.00 0.00 H +ATOM 1326 2HG1 ILE A 82 -16.059 17.272 1.428 1.00 0.00 H +ATOM 1327 1HG2 ILE A 82 -16.121 14.818 4.254 1.00 0.00 H +ATOM 1328 2HG2 ILE A 82 -17.492 13.905 3.585 1.00 0.00 H +ATOM 1329 3HG2 ILE A 82 -15.908 13.848 2.778 1.00 0.00 H +ATOM 1330 1HD1 ILE A 82 -14.331 17.849 3.086 1.00 0.00 H +ATOM 1331 2HD1 ILE A 82 -15.959 17.922 3.803 1.00 0.00 H +ATOM 1332 3HD1 ILE A 82 -14.900 16.532 4.138 1.00 0.00 H +ATOM 1333 N GLU A 83 -19.847 14.615 2.054 1.00 0.00 N +ATOM 1334 CA GLU A 83 -20.919 13.705 2.442 1.00 0.00 C +ATOM 1335 C GLU A 83 -21.565 13.064 1.219 1.00 0.00 C +ATOM 1336 O GLU A 83 -21.868 11.870 1.223 1.00 0.00 O +ATOM 1337 CB GLU A 83 -21.974 14.442 3.269 1.00 0.00 C +ATOM 1338 CG GLU A 83 -21.521 14.820 4.673 1.00 0.00 C +ATOM 1339 CD GLU A 83 -22.550 15.667 5.369 1.00 0.00 C +ATOM 1340 OE1 GLU A 83 -23.531 16.005 4.751 1.00 0.00 O +ATOM 1341 OE2 GLU A 83 -22.413 15.881 6.551 1.00 0.00 O +ATOM 1342 H GLU A 83 -19.967 15.607 2.198 1.00 0.00 H +ATOM 1343 HA GLU A 83 -20.537 12.869 3.028 1.00 0.00 H +ATOM 1344 1HB GLU A 83 -22.237 15.345 2.718 1.00 0.00 H +ATOM 1345 2HB GLU A 83 -22.844 13.789 3.333 1.00 0.00 H +ATOM 1346 1HG GLU A 83 -21.278 13.960 5.296 1.00 0.00 H +ATOM 1347 2HG GLU A 83 -20.622 15.410 4.502 1.00 0.00 H +ATOM 1348 N SER A 84 -21.775 13.862 0.179 1.00 0.00 N +ATOM 1349 CA SER A 84 -22.375 13.371 -1.053 1.00 0.00 C +ATOM 1350 C SER A 84 -21.532 12.262 -1.672 1.00 0.00 C +ATOM 1351 O SER A 84 -22.050 11.210 -2.047 1.00 0.00 O +ATOM 1352 CB SER A 84 -22.554 14.512 -2.036 1.00 0.00 C +ATOM 1353 OG SER A 84 -23.120 14.082 -3.243 1.00 0.00 O +ATOM 1354 H SER A 84 -21.512 14.836 0.246 1.00 0.00 H +ATOM 1355 HA SER A 84 -23.346 12.911 -0.868 1.00 0.00 H +ATOM 1356 1HB SER A 84 -23.205 15.260 -1.585 1.00 0.00 H +ATOM 1357 2HB SER A 84 -21.580 14.954 -2.238 1.00 0.00 H +ATOM 1358 HG SER A 84 -23.216 14.832 -3.835 1.00 0.00 H +ATOM 1359 N ILE A 85 -20.230 12.504 -1.777 1.00 0.00 N +ATOM 1360 CA ILE A 85 -19.311 11.531 -2.357 1.00 0.00 C +ATOM 1361 C ILE A 85 -19.195 10.293 -1.478 1.00 0.00 C +ATOM 1362 O ILE A 85 -19.112 9.172 -1.979 1.00 0.00 O +ATOM 1363 CB ILE A 85 -17.910 12.133 -2.568 1.00 0.00 C +ATOM 1364 CG1 ILE A 85 -17.959 13.245 -3.618 1.00 0.00 C +ATOM 1365 CG2 ILE A 85 -16.923 11.051 -2.980 1.00 0.00 C +ATOM 1366 CD1 ILE A 85 -18.471 12.791 -4.965 1.00 0.00 C +ATOM 1367 H ILE A 85 -19.865 13.387 -1.448 1.00 0.00 H +ATOM 1368 HA ILE A 85 -19.680 11.161 -3.316 1.00 0.00 H +ATOM 1369 HB ILE A 85 -17.577 12.593 -1.638 1.00 0.00 H +ATOM 1370 1HG1 ILE A 85 -18.606 14.030 -3.229 1.00 0.00 H +ATOM 1371 2HG1 ILE A 85 -16.945 13.633 -3.727 1.00 0.00 H +ATOM 1372 1HG2 ILE A 85 -15.938 11.493 -3.125 1.00 0.00 H +ATOM 1373 2HG2 ILE A 85 -16.868 10.292 -2.200 1.00 0.00 H +ATOM 1374 3HG2 ILE A 85 -17.255 10.591 -3.911 1.00 0.00 H +ATOM 1375 1HD1 ILE A 85 -18.477 13.634 -5.657 1.00 0.00 H +ATOM 1376 2HD1 ILE A 85 -17.823 12.006 -5.357 1.00 0.00 H +ATOM 1377 3HD1 ILE A 85 -19.484 12.405 -4.859 1.00 0.00 H +ATOM 1378 N ARG A 86 -19.191 10.503 -0.166 1.00 0.00 N +ATOM 1379 CA ARG A 86 -19.117 9.402 0.786 1.00 0.00 C +ATOM 1380 C ARG A 86 -20.318 8.475 0.654 1.00 0.00 C +ATOM 1381 O ARG A 86 -20.173 7.253 0.644 1.00 0.00 O +ATOM 1382 CB ARG A 86 -18.945 9.889 2.216 1.00 0.00 C +ATOM 1383 CG ARG A 86 -18.731 8.791 3.245 1.00 0.00 C +ATOM 1384 CD ARG A 86 -18.497 9.283 4.627 1.00 0.00 C +ATOM 1385 NE ARG A 86 -17.299 10.093 4.783 1.00 0.00 N +ATOM 1386 CZ ARG A 86 -17.076 10.940 5.807 1.00 0.00 C +ATOM 1387 NH1 ARG A 86 -17.979 11.121 6.746 1.00 0.00 N +ATOM 1388 NH2 ARG A 86 -15.934 11.603 5.831 1.00 0.00 N +ATOM 1389 H ARG A 86 -19.238 11.450 0.180 1.00 0.00 H +ATOM 1390 HA ARG A 86 -18.251 8.767 0.588 1.00 0.00 H +ATOM 1391 1HB ARG A 86 -18.085 10.559 2.223 1.00 0.00 H +ATOM 1392 2HB ARG A 86 -19.844 10.450 2.470 1.00 0.00 H +ATOM 1393 1HG ARG A 86 -19.616 8.154 3.262 1.00 0.00 H +ATOM 1394 2HG ARG A 86 -17.864 8.201 2.947 1.00 0.00 H +ATOM 1395 1HD ARG A 86 -19.346 9.894 4.934 1.00 0.00 H +ATOM 1396 2HD ARG A 86 -18.404 8.429 5.296 1.00 0.00 H +ATOM 1397 HE ARG A 86 -16.482 10.155 4.191 1.00 0.00 H +ATOM 1398 1HH1 ARG A 86 -18.855 10.618 6.704 1.00 0.00 H +ATOM 1399 2HH1 ARG A 86 -17.793 11.760 7.504 1.00 0.00 H +ATOM 1400 1HH2 ARG A 86 -15.258 11.466 5.092 1.00 0.00 H +ATOM 1401 2HH2 ARG A 86 -15.742 12.245 6.586 1.00 0.00 H +ATOM 1402 N LYS A 87 -21.504 9.067 0.551 1.00 0.00 N +ATOM 1403 CA LYS A 87 -22.739 8.296 0.469 1.00 0.00 C +ATOM 1404 C LYS A 87 -22.854 7.580 -0.872 1.00 0.00 C +ATOM 1405 O LYS A 87 -23.275 6.424 -0.935 1.00 0.00 O +ATOM 1406 CB LYS A 87 -23.951 9.202 0.688 1.00 0.00 C +ATOM 1407 CG LYS A 87 -24.113 9.701 2.118 1.00 0.00 C +ATOM 1408 CD LYS A 87 -25.313 10.627 2.248 1.00 0.00 C +ATOM 1409 CE LYS A 87 -25.451 11.161 3.666 1.00 0.00 C +ATOM 1410 NZ LYS A 87 -26.621 12.069 3.808 1.00 0.00 N +ATOM 1411 H LYS A 87 -21.551 10.076 0.529 1.00 0.00 H +ATOM 1412 HA LYS A 87 -22.759 7.498 1.215 1.00 0.00 H +ATOM 1413 1HB LYS A 87 -23.838 10.054 0.017 1.00 0.00 H +ATOM 1414 2HB LYS A 87 -24.834 8.630 0.402 1.00 0.00 H +ATOM 1415 1HG LYS A 87 -24.246 8.839 2.772 1.00 0.00 H +ATOM 1416 2HG LYS A 87 -23.208 10.236 2.403 1.00 0.00 H +ATOM 1417 1HD LYS A 87 -25.185 11.461 1.556 1.00 0.00 H +ATOM 1418 2HD LYS A 87 -26.212 10.071 1.981 1.00 0.00 H +ATOM 1419 1HE LYS A 87 -25.565 10.313 4.340 1.00 0.00 H +ATOM 1420 2HE LYS A 87 -24.539 11.702 3.917 1.00 0.00 H +ATOM 1421 1HZ LYS A 87 -26.676 12.400 4.761 1.00 0.00 H +ATOM 1422 2HZ LYS A 87 -26.515 12.856 3.184 1.00 0.00 H +ATOM 1423 3HZ LYS A 87 -27.466 11.567 3.577 1.00 0.00 H +ATOM 1424 N GLN A 88 -22.477 8.274 -1.941 1.00 0.00 N +ATOM 1425 CA GLN A 88 -22.522 7.702 -3.280 1.00 0.00 C +ATOM 1426 C GLN A 88 -21.448 6.634 -3.459 1.00 0.00 C +ATOM 1427 O GLN A 88 -21.660 5.636 -4.146 1.00 0.00 O +ATOM 1428 CB GLN A 88 -22.346 8.796 -4.336 1.00 0.00 C +ATOM 1429 CG GLN A 88 -22.507 8.312 -5.767 1.00 0.00 C +ATOM 1430 CD GLN A 88 -23.898 7.773 -6.042 1.00 0.00 C +ATOM 1431 OE1 GLN A 88 -24.901 8.381 -5.658 1.00 0.00 O +ATOM 1432 NE2 GLN A 88 -23.966 6.626 -6.707 1.00 0.00 N +ATOM 1433 H GLN A 88 -22.152 9.222 -1.823 1.00 0.00 H +ATOM 1434 HA GLN A 88 -23.463 7.180 -3.459 1.00 0.00 H +ATOM 1435 1HB GLN A 88 -23.088 9.564 -4.120 1.00 0.00 H +ATOM 1436 2HB GLN A 88 -21.346 9.209 -4.197 1.00 0.00 H +ATOM 1437 1HG GLN A 88 -22.201 8.905 -6.628 1.00 0.00 H +ATOM 1438 2HG GLN A 88 -21.827 7.467 -5.649 1.00 0.00 H +ATOM 1439 1HE2 GLN A 88 -24.857 6.221 -6.918 1.00 0.00 H +ATOM 1440 2HE2 GLN A 88 -23.127 6.165 -6.998 1.00 0.00 H +ATOM 1441 N TYR A 89 -20.296 6.850 -2.832 1.00 0.00 N +ATOM 1442 CA TYR A 89 -19.173 5.929 -2.955 1.00 0.00 C +ATOM 1443 C TYR A 89 -18.656 5.505 -1.587 1.00 0.00 C +ATOM 1444 O TYR A 89 -17.635 6.004 -1.117 1.00 0.00 O +ATOM 1445 CB TYR A 89 -18.044 6.567 -3.768 1.00 0.00 C +ATOM 1446 CG TYR A 89 -18.481 7.094 -5.117 1.00 0.00 C +ATOM 1447 CD1 TYR A 89 -18.676 8.452 -5.322 1.00 0.00 C +ATOM 1448 CD2 TYR A 89 -18.696 6.232 -6.181 1.00 0.00 C +ATOM 1449 CE1 TYR A 89 -19.076 8.939 -6.551 1.00 0.00 C +ATOM 1450 CE2 TYR A 89 -19.096 6.707 -7.415 1.00 0.00 C +ATOM 1451 CZ TYR A 89 -19.285 8.062 -7.596 1.00 0.00 C +ATOM 1452 OH TYR A 89 -19.682 8.541 -8.824 1.00 0.00 O +ATOM 1453 H TYR A 89 -20.195 7.676 -2.259 1.00 0.00 H +ATOM 1454 HA TYR A 89 -19.476 5.001 -3.440 1.00 0.00 H +ATOM 1455 1HB TYR A 89 -17.639 7.386 -3.172 1.00 0.00 H +ATOM 1456 2HB TYR A 89 -17.277 5.805 -3.907 1.00 0.00 H +ATOM 1457 HD1 TYR A 89 -18.509 9.139 -4.491 1.00 0.00 H +ATOM 1458 HD2 TYR A 89 -18.546 5.163 -6.032 1.00 0.00 H +ATOM 1459 HE1 TYR A 89 -19.226 10.008 -6.698 1.00 0.00 H +ATOM 1460 HE2 TYR A 89 -19.261 6.013 -8.240 1.00 0.00 H +ATOM 1461 HH TYR A 89 -19.793 7.848 -9.479 1.00 0.00 H +ATOM 1462 N PRO A 90 -19.369 4.581 -0.952 1.00 0.00 N +ATOM 1463 CA PRO A 90 -18.995 4.102 0.374 1.00 0.00 C +ATOM 1464 C PRO A 90 -17.745 3.233 0.313 1.00 0.00 C +ATOM 1465 O PRO A 90 -17.143 2.924 1.341 1.00 0.00 O +ATOM 1466 CB PRO A 90 -20.222 3.317 0.847 1.00 0.00 C +ATOM 1467 CG PRO A 90 -20.881 2.863 -0.412 1.00 0.00 C +ATOM 1468 CD PRO A 90 -20.656 3.974 -1.402 1.00 0.00 C +ATOM 1469 HA PRO A 90 -18.731 4.929 1.035 1.00 0.00 H +ATOM 1470 1HB PRO A 90 -19.935 2.462 1.477 1.00 0.00 H +ATOM 1471 2HB PRO A 90 -20.897 3.947 1.446 1.00 0.00 H +ATOM 1472 1HG PRO A 90 -20.445 1.919 -0.770 1.00 0.00 H +ATOM 1473 2HG PRO A 90 -21.955 2.683 -0.255 1.00 0.00 H +ATOM 1474 1HD PRO A 90 -20.578 3.602 -2.434 1.00 0.00 H +ATOM 1475 2HD PRO A 90 -21.470 4.714 -1.389 1.00 0.00 H +ATOM 1476 N LYS A 91 -17.360 2.845 -0.897 1.00 0.00 N +ATOM 1477 CA LYS A 91 -16.209 1.972 -1.090 1.00 0.00 C +ATOM 1478 C LYS A 91 -14.904 2.724 -0.864 1.00 0.00 C +ATOM 1479 O LYS A 91 -13.849 2.116 -0.677 1.00 0.00 O +ATOM 1480 CB LYS A 91 -16.228 1.362 -2.493 1.00 0.00 C +ATOM 1481 CG LYS A 91 -17.375 0.392 -2.741 1.00 0.00 C +ATOM 1482 CD LYS A 91 -17.333 -0.165 -4.156 1.00 0.00 C +ATOM 1483 CE LYS A 91 -18.462 -1.155 -4.397 1.00 0.00 C +ATOM 1484 NZ LYS A 91 -18.438 -1.702 -5.780 1.00 0.00 N +ATOM 1485 H LYS A 91 -17.878 3.160 -1.704 1.00 0.00 H +ATOM 1486 HA LYS A 91 -16.196 1.165 -0.357 1.00 0.00 H +ATOM 1487 1HB LYS A 91 -16.293 2.189 -3.200 1.00 0.00 H +ATOM 1488 2HB LYS A 91 -15.279 0.843 -2.629 1.00 0.00 H +ATOM 1489 1HG LYS A 91 -17.297 -0.427 -2.025 1.00 0.00 H +ATOM 1490 2HG LYS A 91 -18.315 0.920 -2.586 1.00 0.00 H +ATOM 1491 1HD LYS A 91 -17.421 0.665 -4.859 1.00 0.00 H +ATOM 1492 2HD LYS A 91 -16.375 -0.664 -4.305 1.00 0.00 H +ATOM 1493 1HE LYS A 91 -18.360 -1.971 -3.682 1.00 0.00 H +ATOM 1494 2HE LYS A 91 -19.409 -0.641 -4.227 1.00 0.00 H +ATOM 1495 1HZ LYS A 91 -19.202 -2.353 -5.898 1.00 0.00 H +ATOM 1496 2HZ LYS A 91 -18.534 -0.946 -6.444 1.00 0.00 H +ATOM 1497 3HZ LYS A 91 -17.562 -2.179 -5.938 1.00 0.00 H +ATOM 1498 N VAL A 92 -14.980 4.051 -0.885 1.00 0.00 N +ATOM 1499 CA VAL A 92 -13.793 4.888 -0.756 1.00 0.00 C +ATOM 1500 C VAL A 92 -13.896 5.812 0.449 1.00 0.00 C +ATOM 1501 O VAL A 92 -14.966 5.960 1.040 1.00 0.00 O +ATOM 1502 CB VAL A 92 -13.561 5.736 -2.021 1.00 0.00 C +ATOM 1503 CG1 VAL A 92 -13.400 4.840 -3.240 1.00 0.00 C +ATOM 1504 CG2 VAL A 92 -14.709 6.712 -2.227 1.00 0.00 C +ATOM 1505 H VAL A 92 -15.883 4.490 -0.990 1.00 0.00 H +ATOM 1506 HA VAL A 92 -12.900 4.286 -0.574 1.00 0.00 H +ATOM 1507 HB VAL A 92 -12.659 6.333 -1.887 1.00 0.00 H +ATOM 1508 1HG1 VAL A 92 -13.236 5.456 -4.125 1.00 0.00 H +ATOM 1509 2HG1 VAL A 92 -12.546 4.179 -3.096 1.00 0.00 H +ATOM 1510 3HG1 VAL A 92 -14.302 4.245 -3.376 1.00 0.00 H +ATOM 1511 1HG2 VAL A 92 -14.529 7.303 -3.124 1.00 0.00 H +ATOM 1512 2HG2 VAL A 92 -15.641 6.158 -2.339 1.00 0.00 H +ATOM 1513 3HG2 VAL A 92 -14.783 7.375 -1.365 1.00 0.00 H +ATOM 1514 N GLU A 93 -12.777 6.429 0.812 1.00 0.00 N +ATOM 1515 CA GLU A 93 -12.728 7.303 1.979 1.00 0.00 C +ATOM 1516 C GLU A 93 -12.798 8.768 1.574 1.00 0.00 C +ATOM 1517 O GLU A 93 -12.259 9.161 0.537 1.00 0.00 O +ATOM 1518 CB GLU A 93 -11.458 7.044 2.791 1.00 0.00 C +ATOM 1519 CG GLU A 93 -11.404 5.675 3.455 1.00 0.00 C +ATOM 1520 CD GLU A 93 -12.462 5.541 4.516 1.00 0.00 C +ATOM 1521 OE1 GLU A 93 -12.474 6.341 5.420 1.00 0.00 O +ATOM 1522 OE2 GLU A 93 -13.324 4.708 4.363 1.00 0.00 O +ATOM 1523 H GLU A 93 -11.940 6.291 0.267 1.00 0.00 H +ATOM 1524 HA GLU A 93 -13.594 7.149 2.626 1.00 0.00 H +ATOM 1525 1HB GLU A 93 -10.615 7.148 2.107 1.00 0.00 H +ATOM 1526 2HB GLU A 93 -11.404 7.820 3.555 1.00 0.00 H +ATOM 1527 1HG GLU A 93 -11.490 4.848 2.751 1.00 0.00 H +ATOM 1528 2HG GLU A 93 -10.419 5.653 3.920 1.00 0.00 H +ATOM 1529 N THR A 94 -13.461 9.574 2.395 1.00 0.00 N +ATOM 1530 CA THR A 94 -13.499 11.017 2.187 1.00 0.00 C +ATOM 1531 C THR A 94 -13.094 11.767 3.448 1.00 0.00 C +ATOM 1532 O THR A 94 -13.439 11.364 4.558 1.00 0.00 O +ATOM 1533 CB THR A 94 -14.899 11.488 1.750 1.00 0.00 C +ATOM 1534 OG1 THR A 94 -15.807 11.385 2.855 1.00 0.00 O +ATOM 1535 CG2 THR A 94 -15.412 10.639 0.597 1.00 0.00 C +ATOM 1536 H THR A 94 -13.953 9.178 3.182 1.00 0.00 H +ATOM 1537 HA THR A 94 -12.778 11.327 1.432 1.00 0.00 H +ATOM 1538 HB THR A 94 -14.840 12.529 1.436 1.00 0.00 H +ATOM 1539 HG1 THR A 94 -16.653 11.767 2.610 1.00 0.00 H +ATOM 1540 1HG2 THR A 94 -16.401 10.987 0.302 1.00 0.00 H +ATOM 1541 2HG2 THR A 94 -14.729 10.725 -0.248 1.00 0.00 H +ATOM 1542 3HG2 THR A 94 -15.472 9.598 0.911 1.00 0.00 H +ATOM 1543 N ARG A 95 -12.355 12.859 3.269 1.00 0.00 N +ATOM 1544 CA ARG A 95 -11.865 13.645 4.395 1.00 0.00 C +ATOM 1545 C ARG A 95 -11.974 15.138 4.112 1.00 0.00 C +ATOM 1546 O ARG A 95 -12.042 15.556 2.957 1.00 0.00 O +ATOM 1547 CB ARG A 95 -10.451 13.256 4.796 1.00 0.00 C +ATOM 1548 CG ARG A 95 -10.287 11.813 5.246 1.00 0.00 C +ATOM 1549 CD ARG A 95 -10.920 11.503 6.553 1.00 0.00 C +ATOM 1550 NE ARG A 95 -10.630 10.172 7.063 1.00 0.00 N +ATOM 1551 CZ ARG A 95 -11.255 9.047 6.664 1.00 0.00 C +ATOM 1552 NH1 ARG A 95 -12.228 9.089 5.781 1.00 0.00 N +ATOM 1553 NH2 ARG A 95 -10.879 7.900 7.203 1.00 0.00 N +ATOM 1554 H ARG A 95 -12.128 13.150 2.330 1.00 0.00 H +ATOM 1555 HA ARG A 95 -12.483 13.453 5.276 1.00 0.00 H +ATOM 1556 1HB ARG A 95 -9.814 13.438 3.932 1.00 0.00 H +ATOM 1557 2HB ARG A 95 -10.157 13.920 5.610 1.00 0.00 H +ATOM 1558 1HG ARG A 95 -10.734 11.162 4.493 1.00 0.00 H +ATOM 1559 2HG ARG A 95 -9.221 11.595 5.328 1.00 0.00 H +ATOM 1560 1HD ARG A 95 -10.570 12.220 7.295 1.00 0.00 H +ATOM 1561 2HD ARG A 95 -12.001 11.585 6.452 1.00 0.00 H +ATOM 1562 HE ARG A 95 -9.955 9.882 7.758 1.00 0.00 H +ATOM 1563 1HH1 ARG A 95 -12.516 9.976 5.393 1.00 0.00 H +ATOM 1564 2HH1 ARG A 95 -12.683 8.235 5.496 1.00 0.00 H +ATOM 1565 1HH2 ARG A 95 -10.141 7.887 7.893 1.00 0.00 H +ATOM 1566 2HH2 ARG A 95 -11.331 7.042 6.922 1.00 0.00 H +ATOM 1567 N ARG A 96 -11.991 15.938 5.173 1.00 0.00 N +ATOM 1568 CA ARG A 96 -12.077 17.386 5.039 1.00 0.00 C +ATOM 1569 C ARG A 96 -10.717 17.994 4.714 1.00 0.00 C +ATOM 1570 O ARG A 96 -9.711 17.652 5.335 1.00 0.00 O +ATOM 1571 CB ARG A 96 -12.700 18.037 6.266 1.00 0.00 C +ATOM 1572 CG ARG A 96 -13.242 19.439 6.039 1.00 0.00 C +ATOM 1573 CD ARG A 96 -13.972 20.009 7.201 1.00 0.00 C +ATOM 1574 NE ARG A 96 -13.117 20.485 8.276 1.00 0.00 N +ATOM 1575 CZ ARG A 96 -13.563 20.982 9.446 1.00 0.00 C +ATOM 1576 NH1 ARG A 96 -14.850 21.106 9.682 1.00 0.00 N +ATOM 1577 NH2 ARG A 96 -12.671 21.366 10.342 1.00 0.00 N +ATOM 1578 H ARG A 96 -11.940 15.531 6.095 1.00 0.00 H +ATOM 1579 HA ARG A 96 -12.737 17.642 4.208 1.00 0.00 H +ATOM 1580 1HB ARG A 96 -13.510 17.387 6.594 1.00 0.00 H +ATOM 1581 2HB ARG A 96 -11.927 18.071 7.034 1.00 0.00 H +ATOM 1582 1HG ARG A 96 -12.407 20.102 5.810 1.00 0.00 H +ATOM 1583 2HG ARG A 96 -13.927 19.413 5.191 1.00 0.00 H +ATOM 1584 1HD ARG A 96 -14.572 20.853 6.863 1.00 0.00 H +ATOM 1585 2HD ARG A 96 -14.625 19.243 7.618 1.00 0.00 H +ATOM 1586 HE ARG A 96 -12.107 20.522 8.328 1.00 0.00 H +ATOM 1587 1HH1 ARG A 96 -15.520 20.825 8.979 1.00 0.00 H +ATOM 1588 2HH1 ARG A 96 -15.165 21.481 10.565 1.00 0.00 H +ATOM 1589 1HH2 ARG A 96 -11.685 21.280 10.137 1.00 0.00 H +ATOM 1590 2HH2 ARG A 96 -12.978 21.742 11.226 1.00 0.00 H +ATOM 1591 N ALA A 97 -10.695 18.892 3.736 1.00 0.00 N +ATOM 1592 CA ALA A 97 -9.456 19.541 3.322 1.00 0.00 C +ATOM 1593 C ALA A 97 -9.697 21.004 2.966 1.00 0.00 C +ATOM 1594 O ALA A 97 -9.714 21.370 1.790 1.00 0.00 O +ATOM 1595 CB ALA A 97 -8.836 18.801 2.147 1.00 0.00 C +ATOM 1596 H ALA A 97 -11.558 19.131 3.266 1.00 0.00 H +ATOM 1597 HA ALA A 97 -8.732 19.570 4.137 1.00 0.00 H +ATOM 1598 1HB ALA A 97 -7.913 19.298 1.851 1.00 0.00 H +ATOM 1599 2HB ALA A 97 -8.616 17.774 2.439 1.00 0.00 H +ATOM 1600 3HB ALA A 97 -9.532 18.799 1.309 1.00 0.00 H +ATOM 1601 N GLN A 98 -9.880 21.836 3.985 1.00 0.00 N +ATOM 1602 CA GLN A 98 -10.057 23.269 3.784 1.00 0.00 C +ATOM 1603 C GLN A 98 -8.744 24.017 3.964 1.00 0.00 C +ATOM 1604 O GLN A 98 -8.683 25.234 3.790 1.00 0.00 O +ATOM 1605 CB GLN A 98 -11.103 23.822 4.755 1.00 0.00 C +ATOM 1606 CG GLN A 98 -12.500 23.258 4.555 1.00 0.00 C +ATOM 1607 CD GLN A 98 -13.504 23.836 5.533 1.00 0.00 C +ATOM 1608 OE1 GLN A 98 -13.142 24.583 6.446 1.00 0.00 O +ATOM 1609 NE2 GLN A 98 -14.772 23.490 5.350 1.00 0.00 N +ATOM 1610 H GLN A 98 -9.897 21.465 4.924 1.00 0.00 H +ATOM 1611 HA GLN A 98 -10.497 23.518 2.814 1.00 0.00 H +ATOM 1612 1HB GLN A 98 -10.753 23.591 5.761 1.00 0.00 H +ATOM 1613 2HB GLN A 98 -11.120 24.904 4.617 1.00 0.00 H +ATOM 1614 1HG GLN A 98 -12.978 23.203 3.577 1.00 0.00 H +ATOM 1615 2HG GLN A 98 -12.235 22.253 4.885 1.00 0.00 H +ATOM 1616 1HE2 GLN A 98 -15.481 23.840 5.965 1.00 0.00 H +ATOM 1617 2HE2 GLN A 98 -15.022 22.880 4.598 1.00 0.00 H +ATOM 1618 N ASP A 99 -7.695 23.282 4.315 1.00 0.00 N +ATOM 1619 CA ASP A 99 -6.362 23.861 4.438 1.00 0.00 C +ATOM 1620 C ASP A 99 -5.285 22.785 4.361 1.00 0.00 C +ATOM 1621 O ASP A 99 -5.558 21.605 4.580 1.00 0.00 O +ATOM 1622 CB ASP A 99 -6.234 24.641 5.749 1.00 0.00 C +ATOM 1623 CG ASP A 99 -5.126 25.686 5.754 1.00 0.00 C +ATOM 1624 OD1 ASP A 99 -4.462 25.824 4.754 1.00 0.00 O +ATOM 1625 OD2 ASP A 99 -5.055 26.442 6.693 1.00 0.00 O +ATOM 1626 H ASP A 99 -7.823 22.298 4.503 1.00 0.00 H +ATOM 1627 HA ASP A 99 -6.177 24.544 3.607 1.00 0.00 H +ATOM 1628 1HB ASP A 99 -7.168 25.100 6.074 1.00 0.00 H +ATOM 1629 2HB ASP A 99 -5.971 23.830 6.429 1.00 0.00 H +ATOM 1630 N LYS A 100 -4.063 23.200 4.048 1.00 0.00 N +ATOM 1631 CA LYS A 100 -2.954 22.266 3.884 1.00 0.00 C +ATOM 1632 C LYS A 100 -2.706 21.478 5.165 1.00 0.00 C +ATOM 1633 O LYS A 100 -2.167 20.371 5.129 1.00 0.00 O +ATOM 1634 CB LYS A 100 -1.683 23.010 3.469 1.00 0.00 C +ATOM 1635 CG LYS A 100 -1.117 23.933 4.539 1.00 0.00 C +ATOM 1636 CD LYS A 100 0.118 24.668 4.038 1.00 0.00 C +ATOM 1637 CE LYS A 100 0.724 25.540 5.128 1.00 0.00 C +ATOM 1638 NZ LYS A 100 1.993 26.179 4.688 1.00 0.00 N +ATOM 1639 H LYS A 100 -3.895 24.187 3.923 1.00 0.00 H +ATOM 1640 HA LYS A 100 -3.198 21.536 3.113 1.00 0.00 H +ATOM 1641 1HB LYS A 100 -0.941 22.254 3.212 1.00 0.00 H +ATOM 1642 2HB LYS A 100 -1.929 23.592 2.581 1.00 0.00 H +ATOM 1643 1HG LYS A 100 -1.885 24.657 4.814 1.00 0.00 H +ATOM 1644 2HG LYS A 100 -0.855 23.334 5.410 1.00 0.00 H +ATOM 1645 1HD LYS A 100 0.852 23.931 3.711 1.00 0.00 H +ATOM 1646 2HD LYS A 100 -0.169 25.293 3.192 1.00 0.00 H +ATOM 1647 1HE LYS A 100 0.001 26.312 5.390 1.00 0.00 H +ATOM 1648 2HE LYS A 100 0.916 24.914 5.999 1.00 0.00 H +ATOM 1649 1HZ LYS A 100 2.362 26.747 5.438 1.00 0.00 H +ATOM 1650 2HZ LYS A 100 2.665 25.464 4.446 1.00 0.00 H +ATOM 1651 3HZ LYS A 100 1.816 26.761 3.881 1.00 0.00 H +ATOM 1652 N GLU A 101 -3.101 22.053 6.297 1.00 0.00 N +ATOM 1653 CA GLU A 101 -2.986 21.374 7.580 1.00 0.00 C +ATOM 1654 C GLU A 101 -3.950 20.198 7.669 1.00 0.00 C +ATOM 1655 O GLU A 101 -3.609 19.143 8.206 1.00 0.00 O +ATOM 1656 CB GLU A 101 -3.240 22.352 8.729 1.00 0.00 C +ATOM 1657 CG GLU A 101 -2.172 23.426 8.889 1.00 0.00 C +ATOM 1658 CD GLU A 101 -0.819 22.818 9.133 1.00 0.00 C +ATOM 1659 OE1 GLU A 101 -0.713 21.979 9.996 1.00 0.00 O +ATOM 1660 OE2 GLU A 101 0.084 23.108 8.384 1.00 0.00 O +ATOM 1661 H GLU A 101 -3.488 22.985 6.264 1.00 0.00 H +ATOM 1662 HA GLU A 101 -1.983 20.962 7.694 1.00 0.00 H +ATOM 1663 1HB GLU A 101 -4.204 22.826 8.536 1.00 0.00 H +ATOM 1664 2HB GLU A 101 -3.302 21.762 9.643 1.00 0.00 H +ATOM 1665 1HG GLU A 101 -2.115 24.110 8.043 1.00 0.00 H +ATOM 1666 2HG GLU A 101 -2.490 23.972 9.776 1.00 0.00 H +ATOM 1667 N GLU A 102 -5.154 20.385 7.140 1.00 0.00 N +ATOM 1668 CA GLU A 102 -6.162 19.332 7.138 1.00 0.00 C +ATOM 1669 C GLU A 102 -5.855 18.277 6.083 1.00 0.00 C +ATOM 1670 O GLU A 102 -6.187 17.103 6.247 1.00 0.00 O +ATOM 1671 CB GLU A 102 -7.553 19.924 6.902 1.00 0.00 C +ATOM 1672 CG GLU A 102 -8.064 20.801 8.036 1.00 0.00 C +ATOM 1673 CD GLU A 102 -9.535 21.076 7.894 1.00 0.00 C +ATOM 1674 OE1 GLU A 102 -9.944 21.484 6.834 1.00 0.00 O +ATOM 1675 OE2 GLU A 102 -10.267 20.772 8.807 1.00 0.00 O +ATOM 1676 H GLU A 102 -5.378 21.281 6.729 1.00 0.00 H +ATOM 1677 HA GLU A 102 -6.162 18.818 8.100 1.00 0.00 H +ATOM 1678 1HB GLU A 102 -7.498 20.512 5.986 1.00 0.00 H +ATOM 1679 2HB GLU A 102 -8.235 19.086 6.756 1.00 0.00 H +ATOM 1680 1HG GLU A 102 -7.867 20.390 9.025 1.00 0.00 H +ATOM 1681 2HG GLU A 102 -7.508 21.729 7.913 1.00 0.00 H +ATOM 1682 N VAL A 103 -5.216 18.702 4.996 1.00 0.00 N +ATOM 1683 CA VAL A 103 -4.727 17.774 3.983 1.00 0.00 C +ATOM 1684 C VAL A 103 -3.667 16.844 4.556 1.00 0.00 C +ATOM 1685 O VAL A 103 -3.714 15.632 4.346 1.00 0.00 O +ATOM 1686 CB VAL A 103 -4.141 18.519 2.769 1.00 0.00 C +ATOM 1687 CG1 VAL A 103 -3.458 17.542 1.824 1.00 0.00 C +ATOM 1688 CG2 VAL A 103 -5.230 19.291 2.040 1.00 0.00 C +ATOM 1689 H VAL A 103 -5.066 19.692 4.871 1.00 0.00 H +ATOM 1690 HA VAL A 103 -5.545 17.140 3.638 1.00 0.00 H +ATOM 1691 HB VAL A 103 -3.414 19.252 3.121 1.00 0.00 H +ATOM 1692 1HG1 VAL A 103 -3.048 18.086 0.972 1.00 0.00 H +ATOM 1693 2HG1 VAL A 103 -2.651 17.031 2.349 1.00 0.00 H +ATOM 1694 3HG1 VAL A 103 -4.183 16.810 1.471 1.00 0.00 H +ATOM 1695 1HG2 VAL A 103 -4.798 19.812 1.186 1.00 0.00 H +ATOM 1696 2HG2 VAL A 103 -5.996 18.597 1.693 1.00 0.00 H +ATOM 1697 3HG2 VAL A 103 -5.678 20.017 2.718 1.00 0.00 H +ATOM 1698 N LYS A 104 -2.711 17.417 5.277 1.00 0.00 N +ATOM 1699 CA LYS A 104 -1.648 16.637 5.899 1.00 0.00 C +ATOM 1700 C LYS A 104 -2.216 15.615 6.877 1.00 0.00 C +ATOM 1701 O LYS A 104 -1.804 14.455 6.886 1.00 0.00 O +ATOM 1702 CB LYS A 104 -0.657 17.557 6.614 1.00 0.00 C +ATOM 1703 CG LYS A 104 0.376 18.201 5.699 1.00 0.00 C +ATOM 1704 CD LYS A 104 1.436 18.945 6.498 1.00 0.00 C +ATOM 1705 CE LYS A 104 0.911 20.280 7.006 1.00 0.00 C +ATOM 1706 NZ LYS A 104 1.982 21.094 7.641 1.00 0.00 N +ATOM 1707 H LYS A 104 -2.720 18.419 5.398 1.00 0.00 H +ATOM 1708 HA LYS A 104 -1.110 16.072 5.137 1.00 0.00 H +ATOM 1709 1HB LYS A 104 -1.241 18.335 7.106 1.00 0.00 H +ATOM 1710 2HB LYS A 104 -0.148 16.955 7.368 1.00 0.00 H +ATOM 1711 1HG LYS A 104 0.851 17.417 5.107 1.00 0.00 H +ATOM 1712 2HG LYS A 104 -0.135 18.897 5.035 1.00 0.00 H +ATOM 1713 1HD LYS A 104 1.732 18.324 7.345 1.00 0.00 H +ATOM 1714 2HD LYS A 104 2.299 19.116 5.855 1.00 0.00 H +ATOM 1715 1HE LYS A 104 0.492 20.826 6.162 1.00 0.00 H +ATOM 1716 2HE LYS A 104 0.125 20.083 7.735 1.00 0.00 H +ATOM 1717 1HZ LYS A 104 1.594 21.969 7.964 1.00 0.00 H +ATOM 1718 2HZ LYS A 104 2.371 20.588 8.425 1.00 0.00 H +ATOM 1719 3HZ LYS A 104 2.710 21.278 6.965 1.00 0.00 H +ATOM 1720 N ASP A 105 -3.162 16.053 7.699 1.00 0.00 N +ATOM 1721 CA ASP A 105 -3.782 15.178 8.686 1.00 0.00 C +ATOM 1722 C ASP A 105 -4.528 14.032 8.015 1.00 0.00 C +ATOM 1723 O ASP A 105 -4.402 12.876 8.420 1.00 0.00 O +ATOM 1724 CB ASP A 105 -4.736 15.973 9.582 1.00 0.00 C +ATOM 1725 CG ASP A 105 -4.043 16.890 10.581 1.00 0.00 C +ATOM 1726 OD1 ASP A 105 -2.855 16.756 10.757 1.00 0.00 O +ATOM 1727 OD2 ASP A 105 -4.669 17.815 11.041 1.00 0.00 O +ATOM 1728 H ASP A 105 -3.458 17.016 7.640 1.00 0.00 H +ATOM 1729 HA ASP A 105 -3.016 14.725 9.313 1.00 0.00 H +ATOM 1730 1HB ASP A 105 -5.483 16.539 9.027 1.00 0.00 H +ATOM 1731 2HB ASP A 105 -5.222 15.155 10.116 1.00 0.00 H +ATOM 1732 N ALA A 106 -5.306 14.358 6.988 1.00 0.00 N +ATOM 1733 CA ALA A 106 -6.100 13.363 6.282 1.00 0.00 C +ATOM 1734 C ALA A 106 -5.208 12.351 5.573 1.00 0.00 C +ATOM 1735 O ALA A 106 -5.468 11.148 5.611 1.00 0.00 O +ATOM 1736 CB ALA A 106 -7.035 14.039 5.290 1.00 0.00 C +ATOM 1737 H ALA A 106 -5.347 15.324 6.691 1.00 0.00 H +ATOM 1738 HA ALA A 106 -6.703 12.798 6.994 1.00 0.00 H +ATOM 1739 1HB ALA A 106 -7.622 13.282 4.770 1.00 0.00 H +ATOM 1740 2HB ALA A 106 -7.704 14.714 5.822 1.00 0.00 H +ATOM 1741 3HB ALA A 106 -6.449 14.604 4.566 1.00 0.00 H +ATOM 1742 N VAL A 107 -4.160 12.845 4.924 1.00 0.00 N +ATOM 1743 CA VAL A 107 -3.230 11.985 4.201 1.00 0.00 C +ATOM 1744 C VAL A 107 -2.458 11.082 5.155 1.00 0.00 C +ATOM 1745 O VAL A 107 -2.290 9.892 4.899 1.00 0.00 O +ATOM 1746 CB VAL A 107 -2.230 12.809 3.368 1.00 0.00 C +ATOM 1747 CG1 VAL A 107 -1.109 11.921 2.851 1.00 0.00 C +ATOM 1748 CG2 VAL A 107 -2.940 13.497 2.211 1.00 0.00 C +ATOM 1749 H VAL A 107 -4.002 13.843 4.932 1.00 0.00 H +ATOM 1750 HA VAL A 107 -3.769 11.302 3.548 1.00 0.00 H +ATOM 1751 HB VAL A 107 -1.811 13.596 3.995 1.00 0.00 H +ATOM 1752 1HG1 VAL A 107 -0.411 12.520 2.264 1.00 0.00 H +ATOM 1753 2HG1 VAL A 107 -0.582 11.473 3.693 1.00 0.00 H +ATOM 1754 3HG1 VAL A 107 -1.527 11.135 2.223 1.00 0.00 H +ATOM 1755 1HG2 VAL A 107 -2.219 14.075 1.634 1.00 0.00 H +ATOM 1756 2HG2 VAL A 107 -3.401 12.746 1.570 1.00 0.00 H +ATOM 1757 3HG2 VAL A 107 -3.710 14.163 2.601 1.00 0.00 H +ATOM 1758 N GLU A 108 -1.992 11.658 6.259 1.00 0.00 N +ATOM 1759 CA GLU A 108 -1.272 10.897 7.272 1.00 0.00 C +ATOM 1760 C GLU A 108 -2.098 9.720 7.772 1.00 0.00 C +ATOM 1761 O GLU A 108 -1.606 8.594 7.856 1.00 0.00 O +ATOM 1762 CB GLU A 108 -0.884 11.801 8.445 1.00 0.00 C +ATOM 1763 CG GLU A 108 -0.120 11.095 9.556 1.00 0.00 C +ATOM 1764 CD GLU A 108 0.284 12.058 10.638 1.00 0.00 C +ATOM 1765 OE1 GLU A 108 0.042 13.231 10.483 1.00 0.00 O +ATOM 1766 OE2 GLU A 108 0.733 11.611 11.667 1.00 0.00 O +ATOM 1767 H GLU A 108 -2.145 12.648 6.400 1.00 0.00 H +ATOM 1768 HA GLU A 108 -0.362 10.478 6.843 1.00 0.00 H +ATOM 1769 1HB GLU A 108 -0.270 12.604 8.037 1.00 0.00 H +ATOM 1770 2HB GLU A 108 -1.808 12.216 8.846 1.00 0.00 H +ATOM 1771 1HG GLU A 108 -0.668 10.263 9.998 1.00 0.00 H +ATOM 1772 2HG GLU A 108 0.770 10.717 9.056 1.00 0.00 H +ATOM 1773 N GLU A 109 -3.357 9.986 8.102 1.00 0.00 N +ATOM 1774 CA GLU A 109 -4.275 8.935 8.528 1.00 0.00 C +ATOM 1775 C GLU A 109 -4.443 7.879 7.446 1.00 0.00 C +ATOM 1776 O GLU A 109 -4.400 6.680 7.724 1.00 0.00 O +ATOM 1777 CB GLU A 109 -5.637 9.529 8.897 1.00 0.00 C +ATOM 1778 CG GLU A 109 -6.666 8.505 9.355 1.00 0.00 C +ATOM 1779 CD GLU A 109 -7.978 9.160 9.685 1.00 0.00 C +ATOM 1780 OE1 GLU A 109 -7.997 10.015 10.537 1.00 0.00 O +ATOM 1781 OE2 GLU A 109 -8.942 8.886 9.008 1.00 0.00 O +ATOM 1782 H GLU A 109 -3.688 10.940 8.058 1.00 0.00 H +ATOM 1783 HA GLU A 109 -3.870 8.425 9.402 1.00 0.00 H +ATOM 1784 1HB GLU A 109 -5.463 10.251 9.695 1.00 0.00 H +ATOM 1785 2HB GLU A 109 -6.009 10.046 8.013 1.00 0.00 H +ATOM 1786 1HG GLU A 109 -6.831 7.704 8.635 1.00 0.00 H +ATOM 1787 2HG GLU A 109 -6.229 8.091 10.263 1.00 0.00 H +ATOM 1788 N PHE A 110 -4.636 8.329 6.211 1.00 0.00 N +ATOM 1789 CA PHE A 110 -4.867 7.421 5.092 1.00 0.00 C +ATOM 1790 C PHE A 110 -3.640 6.563 4.815 1.00 0.00 C +ATOM 1791 O PHE A 110 -3.759 5.403 4.426 1.00 0.00 O +ATOM 1792 CB PHE A 110 -5.253 8.207 3.838 1.00 0.00 C +ATOM 1793 CG PHE A 110 -5.878 7.364 2.763 1.00 0.00 C +ATOM 1794 CD1 PHE A 110 -7.130 6.797 2.946 1.00 0.00 C +ATOM 1795 CD2 PHE A 110 -5.214 7.135 1.567 1.00 0.00 C +ATOM 1796 CE1 PHE A 110 -7.706 6.021 1.957 1.00 0.00 C +ATOM 1797 CE2 PHE A 110 -5.787 6.361 0.577 1.00 0.00 C +ATOM 1798 CZ PHE A 110 -7.035 5.803 0.773 1.00 0.00 C +ATOM 1799 H PHE A 110 -4.623 9.324 6.042 1.00 0.00 H +ATOM 1800 HA PHE A 110 -5.679 6.736 5.336 1.00 0.00 H +ATOM 1801 1HB PHE A 110 -5.978 8.981 4.087 1.00 0.00 H +ATOM 1802 2HB PHE A 110 -4.369 8.667 3.398 1.00 0.00 H +ATOM 1803 HD1 PHE A 110 -7.661 6.970 3.882 1.00 0.00 H +ATOM 1804 HD2 PHE A 110 -4.229 7.576 1.412 1.00 0.00 H +ATOM 1805 HE1 PHE A 110 -8.690 5.581 2.115 1.00 0.00 H +ATOM 1806 HE2 PHE A 110 -5.255 6.190 -0.359 1.00 0.00 H +ATOM 1807 HZ PHE A 110 -7.487 5.191 -0.006 1.00 0.00 H +ATOM 1808 N LEU A 111 -2.462 7.143 5.019 1.00 0.00 N +ATOM 1809 CA LEU A 111 -1.212 6.405 4.884 1.00 0.00 C +ATOM 1810 C LEU A 111 -1.097 5.320 5.947 1.00 0.00 C +ATOM 1811 O LEU A 111 -0.670 4.201 5.662 1.00 0.00 O +ATOM 1812 CB LEU A 111 -0.018 7.364 4.968 1.00 0.00 C +ATOM 1813 CG LEU A 111 0.157 8.295 3.762 1.00 0.00 C +ATOM 1814 CD1 LEU A 111 1.248 9.319 4.047 1.00 0.00 C +ATOM 1815 CD2 LEU A 111 0.500 7.471 2.529 1.00 0.00 C +ATOM 1816 H LEU A 111 -2.432 8.120 5.273 1.00 0.00 H +ATOM 1817 HA LEU A 111 -1.071 5.969 3.893 1.00 0.00 H +ATOM 1818 1HB LEU A 111 -0.314 7.939 5.844 1.00 0.00 H +ATOM 1819 2HB LEU A 111 0.911 6.834 5.179 1.00 0.00 H +ATOM 1820 HG LEU A 111 -0.803 8.778 3.583 1.00 0.00 H +ATOM 1821 1HD1 LEU A 111 1.365 9.975 3.185 1.00 0.00 H +ATOM 1822 2HD1 LEU A 111 0.971 9.912 4.918 1.00 0.00 H +ATOM 1823 3HD1 LEU A 111 2.188 8.804 4.241 1.00 0.00 H +ATOM 1824 1HD2 LEU A 111 0.624 8.134 1.672 1.00 0.00 H +ATOM 1825 2HD2 LEU A 111 1.427 6.924 2.703 1.00 0.00 H +ATOM 1826 3HD2 LEU A 111 -0.306 6.765 2.327 1.00 0.00 H +ATOM 1827 N LYS A 112 -1.478 5.658 7.174 1.00 0.00 N +ATOM 1828 CA LYS A 112 -1.470 4.696 8.272 1.00 0.00 C +ATOM 1829 C LYS A 112 -2.471 3.576 8.030 1.00 0.00 C +ATOM 1830 O LYS A 112 -2.254 2.435 8.443 1.00 0.00 O +ATOM 1831 CB LYS A 112 -1.774 5.393 9.599 1.00 0.00 C +ATOM 1832 CG LYS A 112 -0.658 6.298 10.105 1.00 0.00 C +ATOM 1833 CD LYS A 112 -1.071 7.033 11.370 1.00 0.00 C +ATOM 1834 CE LYS A 112 0.041 7.941 11.873 1.00 0.00 C +ATOM 1835 NZ LYS A 112 -0.380 8.733 13.060 1.00 0.00 N +ATOM 1836 H LYS A 112 -1.787 6.603 7.349 1.00 0.00 H +ATOM 1837 HA LYS A 112 -0.489 4.226 8.342 1.00 0.00 H +ATOM 1838 1HB LYS A 112 -2.679 5.983 9.450 1.00 0.00 H +ATOM 1839 2HB LYS A 112 -1.968 4.612 10.334 1.00 0.00 H +ATOM 1840 1HG LYS A 112 0.219 5.683 10.311 1.00 0.00 H +ATOM 1841 2HG LYS A 112 -0.418 7.021 9.326 1.00 0.00 H +ATOM 1842 1HD LYS A 112 -1.958 7.630 11.151 1.00 0.00 H +ATOM 1843 2HD LYS A 112 -1.312 6.297 12.137 1.00 0.00 H +ATOM 1844 1HE LYS A 112 0.896 7.320 12.136 1.00 0.00 H +ATOM 1845 2HE LYS A 112 0.320 8.618 11.066 1.00 0.00 H +ATOM 1846 1HZ LYS A 112 0.384 9.321 13.361 1.00 0.00 H +ATOM 1847 2HZ LYS A 112 -1.173 9.310 12.816 1.00 0.00 H +ATOM 1848 3HZ LYS A 112 -0.638 8.106 13.809 1.00 0.00 H +ATOM 1849 N GLU A 113 -3.573 3.906 7.364 1.00 0.00 N +ATOM 1850 CA GLU A 113 -4.555 2.907 6.962 1.00 0.00 C +ATOM 1851 C GLU A 113 -3.982 1.956 5.921 1.00 0.00 C +ATOM 1852 O GLU A 113 -4.211 0.746 5.974 1.00 0.00 O +ATOM 1853 CB GLU A 113 -5.815 3.584 6.418 1.00 0.00 C +ATOM 1854 CG GLU A 113 -6.693 4.228 7.482 1.00 0.00 C +ATOM 1855 CD GLU A 113 -7.190 3.209 8.470 1.00 0.00 C +ATOM 1856 OE1 GLU A 113 -7.744 2.222 8.048 1.00 0.00 O +ATOM 1857 OE2 GLU A 113 -6.917 3.360 9.637 1.00 0.00 O +ATOM 1858 H GLU A 113 -3.733 4.874 7.128 1.00 0.00 H +ATOM 1859 HA GLU A 113 -4.830 2.292 7.823 1.00 0.00 H +ATOM 1860 1HB GLU A 113 -5.487 4.345 5.710 1.00 0.00 H +ATOM 1861 2HB GLU A 113 -6.386 2.819 5.891 1.00 0.00 H +ATOM 1862 1HG GLU A 113 -6.201 5.040 8.016 1.00 0.00 H +ATOM 1863 2HG GLU A 113 -7.534 4.624 6.915 1.00 0.00 H +ATOM 1864 N GLY A 114 -3.234 2.509 4.971 1.00 0.00 N +ATOM 1865 CA GLY A 114 -2.587 1.708 3.940 1.00 0.00 C +ATOM 1866 C GLY A 114 -1.431 0.899 4.513 1.00 0.00 C +ATOM 1867 O GLY A 114 -0.786 1.316 5.476 1.00 0.00 O +ATOM 1868 OXT GLY A 114 -1.137 -0.157 4.025 1.00 0.00 O +ATOM 1869 H GLY A 114 -3.109 3.510 4.965 1.00 0.00 H +ATOM 1870 1HA GLY A 114 -3.319 1.021 3.509 1.00 0.00 H +ATOM 1871 2HA GLY A 114 -2.206 2.368 3.162 1.00 0.00 H +TER +# All scores below are weighted scores, not raw scores. +#BEGIN_POSE_ENERGIES_TABLE +label fa_atr fa_rep fa_sol fa_intra_rep fa_intra_sol_xover4 lk_ball_wtd fa_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 omega fa_dun p_aa_pp yhh_planarity ref rama_prepro total +weights 1 0.55 1 0.005 1 1 1 1.25 1 1 1 1 1.25 0.4 0.7 0.6 0.625 1 0.45 NA +pose -693.742 102.876 465.365 1.48723 29.0452 -7.72022 -219.931 0.07115 -52.8586 -26.1923 -23.2977 -20.1771 0 8.57089 161.308 -21.4319 0.0103 -13.9436 -6.93268 -317.493 +GLY:NtermProteinFull_1 -2.75633 0.19777 3.35866 0.00011 0 -0.01931 -3.4226 0 0 0 -0.15948 0 0 0.04721 0 0 0 0.79816 0 -1.95582 +LYS_2 -6.4602 0.80256 5.80073 0.01352 0.33342 0.21172 -4.81908 0 0 0 -1.07358 -0.55483 0 -0.01378 1.78068 0.15711 0 -0.71458 -0.04072 -4.57703 +VAL_3 -8.11443 2.45277 1.60285 0.02098 0.06734 0.19659 -2.10592 0 0 0 0 0 0 0.06338 0.29389 -0.08176 0 2.64269 0.0107 -2.95093 +VAL_4 -8.25784 2.19873 1.43069 0.01552 0.03941 -0.0648 -1.39439 0 0 0 0 0 0 -0.06351 0.32783 -0.75337 0 2.64269 -0.11683 -3.99585 +PHE_5 -9.76214 1.27758 1.47346 0.02326 0.08563 -0.07603 -1.99204 0 0 0 0 0 0 -0.03827 2.53057 -0.1262 0 1.21829 -0.18539 -5.57129 +LEU_6 -9.1088 2.15278 2.38488 0.02008 0.12193 -0.08807 -2.15009 0 0 0 0 0 0 -0.01431 1.03426 -0.33728 0 1.66147 0.00157 -4.32158 +SER_7 -4.63595 0.62542 3.87004 0.00183 0.0442 -0.22715 -0.71068 0 0 0 -0.77107 0 0 0.01554 1.1378 -0.47833 0 -0.28969 0.06628 -1.35177 +ASP_8 -1.61683 0.03667 1.73713 0.00347 0.30775 -0.18814 -0.00982 0 0 0 0 0 0 -0.03703 2.01179 -0.11188 0 -2.14574 0.00559 -0.00704 +ASP_9 -5.21421 0.69815 6.1494 0.00837 0.67503 -0.05862 -2.90967 0 0 0 -1.40271 0 0 -0.03398 2.80586 -0.72556 0 -2.14574 -0.21801 -2.37169 +GLN_10 -3.64599 0.46129 3.58592 0.00915 0.19628 -0.04168 -0.38298 0 0 0 0 0 0 -0.02012 2.42783 -0.17576 0 -1.45095 -0.31708 0.64591 +GLU_11 -4.54844 0.29627 5.822 0.00778 0.34477 0.22423 -2.56653 0 0 0 0 -0.62822 0 0.08571 2.60823 -0.04899 0 -2.72453 -0.20601 -1.33374 +ILE_12 -8.07872 1.20795 4.06846 0.03184 0.07455 -0.46141 -2.03738 0 0 0 -0.63164 0 0 -0.0221 0.20238 -0.34431 0 2.30374 -0.11031 -3.79695 +ILE_13 -8.49689 1.25425 4.30581 0.0298 0.07381 -0.19167 -1.7239 0 0 0 0 0 0 -0.00806 0.18589 -0.29077 0 2.30374 0.01662 -2.54136 +GLU_14 -5.27995 0.55269 5.41591 0.00735 0.27536 -0.32312 -1.7047 0 0 0 0 0 0 -0.01537 2.66138 -0.13351 0 -2.72453 -0.09466 -1.36314 +GLU_15 -7.73887 1.33112 8.79463 0.00963 0.91812 0.25612 -5.52466 0 0 0 0 -1.18643 0 0.09313 3.04139 -0.3166 0 -2.72453 -0.4299 -3.47684 +VAL_16 -8.02792 2.09095 1.95187 0.0214 0.05569 -0.15928 -2.19163 0 0 0 0 0 0 0.05543 0.14051 -0.24891 0 2.64269 -0.34528 -4.01448 +SER_17 -5.42442 0.63156 4.82787 0.0015 0.02428 -0.12107 -1.26433 0 0 0 0 0 0 0.12169 0.52598 0.25814 0 -0.28969 -0.16049 -0.86897 +LYS_18 -6.09202 0.76188 6.93847 0.00754 0.11624 -0.01911 -3.48244 0 0 0 0 -0.7243 0 0.01361 1.30306 0.05893 0 -0.71458 -0.16062 -1.99333 +LYS_19 -7.8391 0.90805 7.84271 0.01426 0.27451 -0.11341 -4.07046 0 0 0 0 -0.55458 0 0.00153 2.61398 -0.03992 0 -0.71458 -0.28796 -1.96497 +ALA_20 -6.11112 0.56484 3.1076 0.00143 0 -0.02298 -2.69763 0 0 0 0 0 0 0.09946 0 -0.18551 0 1.32468 -0.3972 -4.31643 +GLU_21 -3.91944 0.25154 4.0536 0.0072 0.27978 -0.29513 -0.45488 0 0 0 0 0 0 0.0713 2.68573 -0.29921 0 -2.72453 -0.36568 -0.70972 +GLU_22 -3.92589 0.34397 4.56515 0.00721 0.27908 -0.2172 -1.02698 0 0 0 0 0 0 0.00238 2.68623 -0.26679 0 -2.72453 -0.41282 -0.6902 +GLU_23 -5.76185 0.62188 4.96242 0.00886 0.89594 -0.4563 -0.4262 0 0 0 0 0 0 0.47015 2.83852 -0.28965 0 -2.72453 -0.36444 -0.2252 +GLY_24 -2.15741 0.08852 1.97688 0.00013 0 -0.18731 -0.54094 0 0 0 0 0 0 -0.01065 0 -1.49917 0 0.79816 0.4057 -1.12608 +TYR_25 -7.6145 0.92392 3.0433 0.02124 0.2198 -0.3535 -1.41888 0 0 0 0 0 0 0.07787 1.49982 -0.40244 0.01029 0.58223 0.40008 -3.01078 +ASP_26 -4.2122 0.32236 5.58352 0.01112 0.71636 0.64895 -3.93756 0 0 0 0 -1.0637 0 -0.01228 1.62899 -0.80059 0 -2.14574 -0.31839 -3.57918 +ILE_27 -6.3479 2.06462 1.57993 0.03126 0.10117 -0.12962 -0.10545 0 0 0 0 0 0 0.68263 2.28614 -0.6508 0 2.30374 -0.35622 1.45951 +GLN_28 -5.03922 0.66736 4.29947 0.0075 0.58352 -0.01654 -2.65271 0 0 0 0 -0.50887 0 0.1535 1.79972 0.04881 0 -1.45095 -0.1389 -2.24731 +THR_29 -3.01414 0.19768 1.70898 0.01029 0.05492 -0.44522 -0.397 0 0 0 0 0 0 0.0327 0.04232 -0.186 0 1.15175 0.07778 -0.76594 +SER_30 -6.70138 0.6306 5.91769 0.00187 0.04783 -0.19595 -1.50655 0 0 0 -0.80382 0 0 0.01432 1.31762 -0.04937 0 -0.28969 0.05408 -1.56276 +ASN_31 -2.97707 0.12411 3.01415 0.01213 0.73295 -0.02997 -0.49605 0 0 0 -0.68067 0 0 -0.02999 1.64924 -0.63531 0 -1.34026 0.00649 -0.65026 +ASP_32 -6.02321 1.34184 7.0836 0.00797 0.53471 -0.02767 -3.09452 0 0 0 -1.38539 0 0 -0.04509 2.18301 -0.29145 0 -2.14574 0.23363 -1.6283 +LYS_33 -6.80922 1.2111 5.17284 0.01092 0.17348 -0.00582 -0.87651 0 0 0 0 0 0 -0.02978 1.7241 -0.0522 0 -0.71458 0.26773 0.07206 +LYS_34 -5.728 0.69395 6.40062 0.01419 0.29588 -0.21826 -2.92191 0 0 0 -0.58157 -0.22202 0 0.07358 1.56709 -0.14904 0 -0.71458 -0.11409 -1.60417 +GLU_35 -8.11668 1.14606 10.229 0.01004 0.38287 0.20395 -4.06385 0 0 0 -0.68067 -1.12182 0 -0.01197 3.08556 -0.06735 0 -2.72453 -0.14073 -1.87014 +ILE_36 -9.94893 2.18715 2.42308 0.02567 0.13481 -0.19628 -1.3014 0 0 0 0 0 0 0.21703 1.22869 0.17116 0 2.30374 -0.11536 -2.87065 +ILE_37 -8.4612 1.12696 4.29428 0.02983 0.07339 -0.11893 -0.93067 0 0 0 0 0 0 0.12294 0.23861 -0.46045 0 2.30374 -0.11186 -1.89336 +ASP_38 -4.96106 0.22852 5.35936 0.00427 0.29797 -0.21481 -0.81651 0 0 0 0 0 0 0.24804 1.30282 0.15262 0 -2.14574 -0.15581 -0.70033 +ARG_39 -8.69011 0.90064 7.90996 0.01254 0.308 0.01502 -4.00946 0 0 0 0 -1.12182 0 0.25392 2.4666 0.00589 0 -0.09474 -0.10048 -2.14406 +LEU_40 -9.32186 2.40996 3.48755 0.02044 0.20431 0.02836 -1.62763 0 0 0 0 0 0 0.29689 0.79873 -0.12013 0 1.66147 0.24991 -1.91202 +LYS_41 -5.77928 0.36331 5.70055 0.00824 0.14805 -0.02305 -2.98529 0 0 0 -0.34212 -0.66408 0 -0.02103 0.85944 -0.01207 0 -0.71458 0.0208 -3.44112 +ARG_42 -4.66096 0.61286 4.808 0.01857 0.71919 0.12296 -2.17604 0 0 0 -0.72365 0 0 -0.05878 1.404 -0.16629 0 -0.09474 -0.01963 -0.21451 +ARG_43 -4.72195 0.89393 4.02336 0.01698 0.68407 0.09754 -0.79504 0 0 0 -0.38153 0 0 -0.04684 1.52926 -0.17453 0 -0.09474 0.50677 1.53728 +ASN_44 -2.53682 0.18377 2.56826 0.01959 0.75045 -0.04635 0.30019 0 0 0 0 0 0 0.09186 1.39134 -1.02345 0 -1.34026 0.07604 0.43461 +ILE_45 -9.42667 2.42822 1.7108 0.03363 0.07366 -0.44495 0.09839 0 0 0 0 0 0 0.02719 1.16789 -0.08115 0 2.30374 -0.4273 -2.53654 +ASP_46 -4.74688 0.36247 5.51059 0.00312 0.27955 0.45772 -4.84362 0 0 0 -1.23306 0 0 -0.03833 1.94343 -0.07081 0 -2.14574 -0.10518 -4.62674 +MET_47 -9.64202 1.96796 2.63727 0.00643 0.10866 0.03951 -1.68167 0 0 0 0 0 0 0.17611 1.80176 0.26489 0 1.65735 0.3878 -2.27595 +ILE_48 -8.54458 1.90872 0.84921 0.03355 0.09563 0.15557 -2.43374 0 0 0 0 0 0 -0.04025 1.08025 -0.56045 0 2.30374 0.22799 -4.92437 +ILE_49 -8.64837 2.02397 1.06272 0.02754 0.07377 0.12691 -2.08369 0 0 0 0 0 0 -0.0327 0.34942 -0.768 0 2.30374 -0.34815 -5.91283 +VAL_50 -6.94058 1.22561 1.14208 0.02625 0.07504 0.18192 -2.08111 0 0 0 0 0 0 0.26724 2.07141 -0.74828 0 2.64269 -0.40509 -2.54282 +LYS_51 -5.56627 0.85344 2.96209 0.01547 0.57238 -0.23947 -1.6848 0 0 0 0 0 0 -0.04 3.7755 0.38125 0 -0.71458 0.05574 0.37074 +THR_52 -4.95936 0.39675 3.32126 0.01187 0.07914 -0.13118 -1.44613 0 0 0 -1.3607 0 0 0.07622 0.00815 0.21008 0 1.15175 0.42621 -2.21593 +GLU_53 -4.05501 0.07954 4.71675 0.00809 0.9553 0.07296 -2.87337 0 0 0 -1.03756 0 0 0.14401 3.22625 -0.02345 0 -2.72453 0.13365 -1.37736 +ASP_54 -5.00633 0.56321 6.28335 0.00777 0.62501 0.06955 -2.87605 0 0 0 -1.77545 0 0 -0.06355 2.7947 -0.78482 0 -2.14574 -0.1261 -2.43445 +LYS_55 -4.48606 0.42004 3.61527 0.00747 0.12093 0.05883 -0.16356 0 0 0 0 0 0 -0.03885 0.88541 -0.04962 0 -0.71458 -0.27772 -0.62243 +GLU_56 -3.58449 0.26528 4.69152 0.00789 0.35507 -0.23807 -1.43868 0 0 0 0 0 0 0.1378 2.78511 -0.11036 0 -2.72453 -0.30331 -0.15676 +SER_57 -5.76479 0.51108 6.22306 0.00142 0.02396 -0.4153 -2.1197 0 0 0 -0.62378 0 0 0.21581 0.52117 0.2676 0 -0.28969 -0.17468 -1.62384 +ILE_58 -9.31166 1.80275 2.46014 0.03084 0.07344 -0.31385 -1.80479 0 0 0 0 0 0 -0.01909 0.25585 -0.39993 0 2.30374 -0.07189 -4.99444 +SER_59 -4.90593 0.17659 5.04976 0.00158 0.02408 -0.1411 -1.94835 0 0 0 0 -0.67901 0 -0.0116 0.44734 0.29811 0 -0.28969 0.00242 -1.97582 +GLU_60 -6.00269 0.21191 6.43235 0.02096 1.09525 -0.00295 -3.8803 0 0 0 0 -0.22202 0 -0.00737 3.38889 -0.00901 0 -2.72453 -0.01711 -1.71661 +ILE_61 -8.48986 1.11813 2.37232 0.0293 0.071 -0.18047 -1.80975 0 0 0 0 0 0 -0.05859 0.08729 -0.46759 0 2.30374 0.06334 -4.96113 +ILE_62 -9.57264 2.18145 1.26455 0.03184 0.07322 -0.25169 -1.63816 0 0 0 0 0 0 -0.0138 0.25554 -0.30357 0 2.30374 0.13699 -5.53254 +LYS_63 -5.15479 0.23988 5.40474 0.01017 0.16333 -0.4158 -1.05992 0 0 0 0 0 0 0.24007 0.89695 0.14017 0 -0.71458 0.25979 0.01002 +GLN_64 -6.66287 0.26402 6.41562 0.00919 0.67037 -0.15609 -3.41198 0 0 0 0 -0.66408 0 0.00275 2.51939 -0.18303 0 -1.45095 0.06004 -2.58763 +VAL_65 -9.00051 3.06156 2.42679 0.02073 0.05591 -0.19453 -2.905 0 0 0 0 0 0 0.27668 0.16689 -0.18947 0 2.64269 -0.16786 -3.80612 +LEU_66 -6.44876 0.84413 2.97654 0.0218 0.08188 -0.36098 -0.7342 0 0 0 0 0 0 0.24347 0.44578 -0.28872 0 1.66147 -0.18099 -1.7386 +ASP_67 -3.48248 0.18536 4.45263 0.00426 0.29652 -0.29865 -0.0748 0 0 0 0 0 0 0.16777 1.31453 0.20292 0 -2.14574 -0.27113 0.3512 +SER_68 -3.43239 0.50981 3.3275 0.00153 0.02397 -0.17959 -0.79906 0 0 0 0 0 0 0.1796 0.4006 0.30446 0 -0.28969 -0.12064 -0.0739 +GLY_69 -1.69649 0.09619 1.784 0.00012 0 -0.09681 -0.52498 0 0 0 0 0 0 -0.06014 0 -1.51367 0 0.79816 0.54709 -0.66653 +ALA_70 -3.95066 0.82209 1.1524 0.00126 0 -0.08306 -0.85963 0 0 0 0 0 0 0.23691 0 0.4647 0 1.32468 0.98135 0.09003 +LYS_71 -4.13983 0.34792 2.95921 0.00755 0.11556 -0.04873 -2.13195 0 0 0 0 0 0 0.20586 0.97323 -0.03354 0 -0.71458 0.36906 -2.09024 +VAL_72 -7.68175 2.17177 0.21577 0.01619 0.04005 -0.01624 -1.07755 0 0 0 0 0 0 0.58257 0.08596 -0.75246 0 2.64269 -0.23483 -4.00782 +LEU_73 -10.1744 2.41583 0.99632 0.01813 0.103 0.09483 -1.93749 0 0 0 0 0 0 0.0213 0.4159 -0.23671 0 1.66147 -0.08696 -6.70874 +ILE_74 -8.40184 1.62014 1.10613 0.03132 0.09723 0.1049 -2.24139 0 0 0 0 0 0 0.11151 0.86109 -0.53303 0 2.30374 -0.08636 -5.02656 +LEU_75 -8.94203 1.8571 1.33997 0.01818 0.0675 0.05254 -2.01186 0 0 0 0 0 0 -0.0415 0.79125 -0.32336 0 1.66147 -0.13185 -5.66259 +SER_76 -5.55926 0.35148 5.18011 0.00122 0.02214 -0.1614 -3.41763 0 0 0 -0.20903 0 0 0.04485 0.83925 -0.30356 0 -0.28969 -0.01131 -3.51284 +SER_77 -4.21668 0.44129 4.70147 0.00141 0.02313 0.17135 -2.14908 0 0 0 -1.87045 0 0 -0.03111 0.61707 0.32801 0 -0.28969 0.1998 -2.07346 +ASP_78 -5.38816 0.61277 6.30703 0.00772 0.55859 -0.1464 -3.38781 0 0 0 -0.43396 0 0 -0.0667 1.9886 -0.57136 0 -2.14574 0.13762 -2.52781 +GLU_79 -4.78718 0.89713 4.84887 0.00687 0.2901 0.17381 -1.48651 0 0 0 0 -0.46739 0 0.18355 2.68272 -0.31648 0 -2.72453 -0.42174 -1.12077 +ASN_80 -3.76729 0.29231 4.52829 0.00712 0.24982 -0.30523 -2.18628 0 0 0 -0.38604 0 0 0.27725 1.05396 0.49739 0 -1.34026 -0.22208 -1.30105 +ILE_81 -7.36055 0.87304 4.65498 0.03142 0.07537 -0.23438 -1.39362 0 0 0 0 0 0 -0.03161 0.257 -0.29231 0 2.30374 0.04733 -1.06959 +ILE_82 -9.12722 2.17803 4.65968 0.02935 0.07174 -0.33202 -1.94936 0 0 0 0 0 0 -0.01732 0.08448 -0.36561 0 2.30374 0.03348 -2.43102 +GLU_83 -5.05764 0.30328 5.03677 0.00715 0.27441 -0.33641 -1.67641 0 0 0 0 0 0 0.01696 2.66801 -0.21831 0 -2.72453 -0.07536 -1.78208 +SER_84 -4.23121 0.15038 4.33864 0.00183 0.06835 -0.17153 -1.70024 0 0 0 0 0 0 -0.00162 0.50562 0.35113 0 -0.28969 -0.00118 -0.97952 +ILE_85 -8.38572 1.21099 2.28648 0.04144 0.11997 -0.12706 -1.6061 0 0 0 0 0 0 -0.02231 1.18073 -0.22002 0 2.30374 0.09287 -3.12498 +ARG_86 -6.85527 0.28546 6.46005 0.01404 0.42773 0.10967 -1.75217 0 0 0 -0.32516 -0.29543 0 -0.02496 2.34191 -0.03909 0 -0.09474 -0.17478 0.07728 +LYS_87 -3.78585 0.25243 3.53686 0.0074 0.11673 -0.27887 -1.05695 0 0 0 0 0 0 0.03189 0.99453 -0.06491 0 -0.71458 -0.22197 -1.18331 +GLN_88 -4.24268 0.22774 2.49753 0.02448 0.90145 -0.2287 -1.06002 0 0 0 0 0 0 -0.04043 2.52167 -0.18243 0 -1.45095 -0.23078 -1.26313 +TYR_89 -8.76579 1.60276 3.24031 0.02329 0.31611 0.01638 -0.88033 0 0 0 0 -0.67901 0 0.05811 1.48394 -0.47119 1e-05 0.58223 -0.41953 -3.8927 +PRO_90 -3.1727 0.64282 1.91514 0.00246 0.05035 -0.11657 0.56168 0.07115 0 0 0 0 0 -0.04189 0.1164 -0.26068 0 -1.64321 -0.3342 -2.20926 +LYS_91 -2.87973 0.40166 0.92107 0.00765 0.13482 -0.22137 0.21614 0 0 0 0 0 0 -0.02348 0.82832 -0.06485 0 -0.71458 -0.25668 -1.65103 +VAL_92 -6.51899 1.79108 0.40913 0.01674 0.0466 -0.2125 -0.30598 0 0 0 0 0 0 0.05915 0.04906 -0.45125 0 2.64269 -0.27599 -2.75025 +GLU_93 -5.02925 0.26652 4.57878 0.00682 0.62174 0.46588 -3.36854 0 0 0 0 -0.61821 0 0.04535 3.39011 0.06779 0 -2.72453 -0.07578 -2.37333 +THR_94 -6.9048 1.2786 4.34948 0.00842 0.1079 0.5347 -2.73615 0 0 0 -0.73802 -0.29543 0 0.08754 1.49266 -0.20255 0 1.15175 -0.01183 -1.87774 +ARG_95 -7.19288 1.12871 6.63267 0.01599 0.62948 0.8773 -4.9784 0 0 0 -0.41286 -1.4318 0 0.03185 1.73325 -0.19093 0 -0.09474 -0.0873 -3.33965 +ARG_96 -5.63494 0.78509 5.13737 0.01084 0.30546 0.30322 -3.0942 0 0 0 0 -1.64973 0 -0.01675 2.71723 -0.08278 0 -0.09474 -0.23091 -1.54485 +ALA_97 -5.56534 0.75742 2.41476 0.00289 0 -0.28521 -1.52758 0 0 0 -0.34619 0 0 0.2655 0 -0.06418 0 1.32468 1.01665 -2.0066 +GLN_98 -4.40298 0.51291 4.42064 0.01019 0.23644 0.07028 -1.39684 0 0 0 -1.21252 0 0 0.16986 2.49355 -0.16006 0 -1.45095 0.89498 0.18549 +ASP_99 -4.28157 0.50418 4.94411 0.00566 0.3087 -0.06851 -2.16554 0 0 0 -0.51856 0 0 0.24448 1.85124 0.26266 0 -2.14574 -0.01918 -1.07807 +LYS_100 -6.49791 0.86206 6.32627 0.01107 0.18211 0.18503 -4.17202 0 0 0 -0.51856 -0.62822 0 0.10025 1.5493 -0.03225 0 -0.71458 -0.04581 -3.39326 +GLU_101 -5.02876 0.48338 6.25506 0.00857 0.87673 -0.15607 -2.34787 0 0 0 0 -0.59174 0 0.04291 2.86791 -0.26995 0 -2.72453 -0.46244 -1.0468 +GLU_102 -7.01717 0.24465 7.98501 0.00512 0.24186 0.31084 -4.47376 0 0 0 -0.6779 -1.18234 0 0.62941 3.63426 -0.28326 0 -2.72453 -0.33994 -3.64775 +VAL_103 -7.97505 1.72485 1.75091 0.01987 0.05359 0.00481 -1.57466 0 0 0 0 0 0 -0.02804 -0.0175 -0.31772 0 2.64269 -0.1696 -3.88584 +LYS_104 -9.16295 1.41104 9.3613 0.01094 0.20326 0.16327 -5.49213 0 0 0 0 -1.05387 0 -0.01142 2.9395 0.04153 0 -0.71458 -0.13159 -2.4357 +ASP_105 -4.28333 0.14104 5.02552 0.00426 0.28984 -0.3094 -0.58094 0 0 0 0 0 0 -0.02215 1.46975 0.32002 0 -2.14574 -0.09198 -0.1831 +ALA_106 -5.30171 0.40299 2.6897 0.00139 0 -0.14776 -1.77468 0 0 0 0 0 0 -0.00696 0 -0.07379 0 1.32468 -0.02874 -2.91487 +VAL_107 -7.92885 2.02426 1.81759 0.02181 0.05505 -0.09748 -2.10001 0 0 0 0 0 0 -0.00163 0.19371 -0.31164 0 2.64269 -0.11196 -3.79645 +GLU_108 -7.25721 0.51912 8.44287 0.0082 0.34876 -0.1688 -3.93708 0 0 0 0 -0.55458 0 0.13157 2.55542 -0.03359 0 -2.72453 -0.08539 -2.75523 +GLU_109 -5.28996 0.315 5.96065 0.00717 0.33581 0.07671 -3.09785 0 0 0 0 -0.81358 0 -0.01954 3.48616 -0.08222 0 -2.72453 -0.14641 -1.99261 +PHE_110 -10.2397 1.59429 3.81208 0.02257 0.30543 -0.20048 -1.20786 0 0 0 0 0 0 0.26337 2.78729 0.18823 0 1.21829 -0.22481 -1.68127 +LEU_111 -9.88469 1.59067 2.92562 0.02539 0.07559 -0.18701 0.06065 0 0 0 0 0 0 0.1136 0.36746 -0.25062 0 1.66147 -0.20616 -3.70802 +LYS_112 -5.0329 0.33043 6.04446 0.00747 0.12285 -0.26242 -1.96607 0 0 0 0 0 0 0.36934 0.91768 -0.05627 0 -0.71458 -0.35118 -0.5912 +GLU_113 -3.28482 0.32343 3.61803 0.00857 0.85997 -0.19936 -0.65992 0 0 0 0 0 0 0.09195 3.10191 -0.21564 0 -2.72453 -0.43617 0.48342 +GLY:CtermProteinFull_114 -2.97946 0.18814 3.85207 0.00013 0 -0.08595 -0.20685 0 0 0 0 0 0 0 0 0 0 0.79816 -0.18176 1.38447 +#END_POSE_ENERGIES_TABLE + +allatom_rms 6.14462e-07 +gdtmm 1 +gdtmm1_1 1 +gdtmm2_2 1 +gdtmm3_3 1 +gdtmm4_3 1 +gdtmm7_4 1 +irms 0 +maxsub 114 +maxsub2.0 114 +rms 0 + +# All scores below are weighted scores, not raw scores. +#BEGIN_POSE_ENERGIES_TABLE r2x3_bp4_7_0001 +label fa_atr fa_rep fa_sol fa_intra_rep fa_intra_sol_xover4 lk_ball_wtd fa_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 omega fa_dun p_aa_pp yhh_planarity ref rama_prepro total +weights 1 0.55 1 0.005 1 1 1 1.25 1 1 1 1 1.25 0.4 0.7 0.6 0.625 1 0.45 NA +pose -693.742 102.876 465.365 1.48723 29.0452 -7.72022 -219.931 0.0711481 -52.8586 -26.1923 -23.2977 -20.1771 0 8.57089 161.308 -21.4319 0.010301 -13.9436 -6.93268 -317.493 +GLY:NtermProteinFull_1 -2.75633 0.197767 3.35866 0.000110197 0 -0.0193103 -3.4226 0 0 0 -0.159478 0 0 0.0472059 0 0 0 0.79816 0 -1.95582 +LYS_2 -6.4602 0.802558 5.80073 0.0135193 0.333423 0.211722 -4.81908 0 0 0 -1.07358 -0.554831 0 -0.0137775 1.78068 0.157109 0 -0.71458 -0.040715 -4.57703 +VAL_3 -8.11443 2.45277 1.60285 0.0209777 0.0673382 0.196593 -2.10592 0 0 0 0 0 0 0.0633805 0.293887 -0.0817588 0 2.64269 0.0106954 -2.95093 +VAL_4 -8.25784 2.19873 1.43069 0.0155241 0.0394132 -0.064797 -1.39439 0 0 0 0 0 0 -0.0635056 0.327826 -0.753367 0 2.64269 -0.116833 -3.99585 +PHE_5 -9.76214 1.27758 1.47346 0.0232632 0.0856293 -0.0760333 -1.99204 0 0 0 0 0 0 -0.0382714 2.53057 -0.126204 0 1.21829 -0.185393 -5.57129 +LEU_6 -9.1088 2.15278 2.38488 0.0200801 0.121926 -0.0880657 -2.15009 0 0 0 0 0 0 -0.0143109 1.03426 -0.337283 0 1.66147 0.00157356 -4.32158 +SER_7 -4.63595 0.625419 3.87004 0.00183307 0.0442005 -0.227152 -0.710684 0 0 0 -0.771072 0 0 0.0155397 1.1378 -0.478333 0 -0.28969 0.0662832 -1.35177 +ASP_8 -1.61683 0.0366712 1.73713 0.00347123 0.307751 -0.188142 -0.00981778 0 0 0 0 0 0 -0.0370287 2.01179 -0.111882 0 -2.14574 0.00558696 -0.00703998 +ASP_9 -5.21421 0.698153 6.1494 0.00837277 0.675033 -0.0586237 -2.90967 0 0 0 -1.40271 0 0 -0.0339849 2.80586 -0.725563 0 -2.14574 -0.218011 -2.37169 +GLN_10 -3.64599 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+GLU_113 -3.28482 0.323431 3.61803 0.00856685 0.859965 -0.199365 -0.659921 0 0 0 0 0 0 0.0919489 3.10191 -0.215638 0 -2.72453 -0.436169 0.483417 +GLY:CtermProteinFull_114 -2.97946 0.188137 3.85207 0.000129715 0 -0.0859534 -0.206852 0 0 0 0 0 0 0 0 0 0 0.79816 -0.181762 1.38447 +#END_POSE_ENERGIES_TABLE r2x3_bp4_7_0001 diff --git a/src/read/pdb/lexer.rs b/src/read/pdb/lexer.rs index 8bf5e9b..a2b3bb7 100644 --- a/src/read/pdb/lexer.rs +++ b/src/read/pdb/lexer.rs @@ -69,7 +69,7 @@ fn lex_remark( if !reference_tables::valid_remark_type_number(number) { errors.push(PDBError::new( - ErrorLevel::StrictWarning, + ErrorLevel::LooseWarning, "Remark type number invalid", "The remark-type-number is not valid, see wwPDB v3.30 for all valid numbers.", Context::line(linenumber, line, 7, 3),