Browse entries in the PDBbind-CN Database
HEADER 4XPJ_COMPLEX COMPND 4XPJ_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 105 GLY GLU PHE SER VAL CYS ASP SER VAL SER VAL TRP VAL SEQRES 2 A 105 GLY ASP LYS THR THR ALA THR ASP ILE LYS GLY LYS GLU SEQRES 3 A 105 VAL THR VAL LEU ALA GLU VAL ASN ILE ASN ASN SER VAL SEQRES 4 A 105 PHE ARG GLN TYR PHE PHE GLU THR LYS CYS ARG ALA SER SEQRES 5 A 105 ASN PRO VAL GLU SER GLY CYS ARG GLY ILE ASP SER LYS SEQRES 6 A 105 HIS TRP ASN SER TYR CYS THR THR THR HIS THR PHE VAL SEQRES 7 A 105 LYS ALA LEU THR THR ASP GLU LYS GLN ALA ALA TRP ARG SEQRES 8 A 105 PHE ILE ARG ILE ASP THR ALA CYS VAL CYS VAL LEU SER SEQRES 9 A 105 ARG SEQRES 1 B 105 GLU PHE SER VAL CYS ASP SER VAL SER VAL TRP VAL GLY SEQRES 2 B 105 ASP LYS THR THR ALA THR ASP ILE LYS GLY LYS GLU VAL SEQRES 3 B 105 THR VAL LEU ALA GLU VAL ASN ILE ASN ASN SER VAL PHE SEQRES 4 B 105 ARG GLN TYR PHE PHE GLU THR LYS CYS ARG ALA SER ASN SEQRES 5 B 105 PRO VAL GLU SER GLY CYS ARG GLY ILE ASP SER LYS HIS SEQRES 6 B 105 TRP ASN SER TYR CYS THR THR THR HIS THR PHE VAL LYS SEQRES 7 B 105 ALA LEU THR THR ASP GLU LYS GLN ALA ALA TRP ARG PHE SEQRES 8 B 105 ILE ARG ILE ASP THR ALA CYS VAL CYS VAL LEU SER ARG SEQRES 9 B 105 LYS HET LPY A 271 77 SSBOND 1 CYS A 15 CYS A 80 SSBOND 2 CYS A 58 CYS A 108 SSBOND 3 CYS A 68 CYS A 110 SSBOND 4 CYS B 15 CYS B 80 SSBOND 5 CYS B 58 CYS B 108 SSBOND 6 CYS B 68 CYS B 110 ATOM 1 N GLY A 10 -46.144 -3.114 0.630 1.00 62.53 N ATOM 2 CA GLY A 10 -47.027 -1.985 0.393 1.00 64.40 C ATOM 3 C GLY A 10 -47.172 -1.104 1.619 1.00 66.22 C ATOM 4 O GLY A 10 -48.262 -0.606 1.911 1.00 65.17 O ATOM 5 HN3 GLY A 10 -46.526 -3.695 1.403 1.00 0.00 H ATOM 6 HN2 GLY A 10 -45.200 -2.765 0.891 1.00 0.00 H ATOM 7 HN1 GLY A 10 -46.076 -3.687 -0.235 1.00 0.00 H ATOM 8 N GLU A 11 -46.057 -0.911 2.327 1.00 68.27 N ATOM 9 CA GLU A 11 -46.020 -0.177 3.594 1.00 67.46 C ATOM 10 C GLU A 11 -45.629 1.287 3.455 1.00 65.33 C ATOM 11 O GLU A 11 -44.969 1.687 2.496 1.00 67.09 O ATOM 12 CB GLU A 11 -45.042 -0.839 4.561 1.00 66.28 C ATOM 13 CG GLU A 11 -45.350 -2.287 4.860 1.00 77.69 C ATOM 14 CD GLU A 11 -44.102 -3.074 5.207 1.00 85.89 C ATOM 15 OE1 GLU A 11 -43.026 -2.770 4.632 1.00 86.23 O ATOM 16 OE2 GLU A 11 -44.205 -3.991 6.054 1.00 91.22 O ATOM 17 H GLU A 11 -45.167 -1.303 1.959 1.00 0.00 H ATOM 18 N PHE A 12 -46.043 2.073 4.442 1.00 66.67 N ATOM 19 CA PHE A 12 -45.707 3.489 4.521 1.00 63.96 C ATOM 20 C PHE A 12 -44.945 3.743 5.805 1.00 63.58 C ATOM 21 O PHE A 12 -45.209 3.110 6.822 1.00 67.78 O ATOM 22 CB PHE A 12 -46.962 4.368 4.504 1.00 61.02 C ATOM 23 CG PHE A 12 -47.857 4.142 3.323 1.00 65.46 C ATOM 24 CD1 PHE A 12 -48.738 3.064 3.292 1.00 69.18 C ATOM 25 CD2 PHE A 12 -47.843 5.023 2.257 1.00 63.89 C ATOM 26 CE1 PHE A 12 -49.574 2.854 2.204 1.00 71.09 C ATOM 27 CE2 PHE A 12 -48.676 4.825 1.174 1.00 71.71 C ATOM 28 CZ PHE A 12 -49.544 3.737 1.146 1.00 73.45 C ATOM 29 H PHE A 12 -46.633 1.660 5.192 1.00 0.00 H ATOM 30 N SER A 13 -44.006 4.673 5.780 1.00 60.68 N ATOM 31 CA SER A 13 -43.429 5.121 7.036 1.00 57.41 C ATOM 32 C SER A 13 -44.340 6.199 7.583 1.00 59.07 C ATOM 33 O SER A 13 -45.060 6.857 6.827 1.00 62.72 O ATOM 34 CB SER A 13 -42.019 5.657 6.850 1.00 52.15 C ATOM 35 OG SER A 13 -42.058 6.757 5.962 1.00 59.72 O ATOM 36 HG SER A 13 -41.142 7.111 5.837 1.00 0.00 H ATOM 37 H SER A 13 -43.686 5.077 4.877 1.00 0.00 H ATOM 38 N VAL A 14 -44.321 6.370 8.894 1.00 51.44 N ATOM 39 CA VAL A 14 -45.065 7.442 9.524 1.00 53.07 C ATOM 40 C VAL A 14 -44.365 8.771 9.222 1.00 55.48 C ATOM 41 O VAL A 14 -45.011 9.818 9.105 1.00 54.30 O ATOM 42 CB VAL A 14 -45.175 7.191 11.029 1.00 52.68 C ATOM 43 CG1 VAL A 14 -45.546 8.440 11.756 1.00 64.91 C ATOM 44 CG2 VAL A 14 -46.173 6.077 11.306 1.00 54.34 C ATOM 45 H VAL A 14 -43.761 5.722 9.485 1.00 0.00 H ATOM 46 N CYS A 15 -43.041 8.692 9.049 1.00 49.75 N ATOM 47 CA CYS A 15 -42.180 9.845 8.808 1.00 48.83 C ATOM 48 C CYS A 15 -41.196 9.605 7.668 1.00 47.41 C ATOM 49 O CYS A 15 -40.612 8.528 7.570 1.00 45.80 O ATOM 50 CB CYS A 15 -41.391 10.187 10.064 1.00 47.06 C ATOM 51 SG CYS A 15 -42.242 11.219 11.231 1.00 52.38 S ATOM 52 H CYS A 15 -42.598 7.752 9.089 1.00 0.00 H ATOM 53 N ASP A 16 -40.972 10.622 6.840 1.00 48.12 N ATOM 54 CA ASP A 16 -40.109 10.475 5.670 1.00 47.22 C ATOM 55 C ASP A 16 -38.654 10.796 5.960 1.00 44.64 C ATOM 56 O ASP A 16 -38.332 11.909 6.368 1.00 45.33 O ATOM 57 CB ASP A 16 -40.603 11.366 4.537 1.00 54.10 C ATOM 58 CG ASP A 16 -41.984 10.974 4.052 1.00 61.81 C ATOM 59 OD1 ASP A 16 -42.292 9.761 4.090 1.00 55.83 O ATOM 60 OD2 ASP A 16 -42.759 11.871 3.639 1.00 74.02 O ATOM 61 H ASP A 16 -41.421 11.541 7.029 1.00 0.00 H ATOM 62 N SER A 17 -37.776 9.827 5.720 1.00 42.66 N ATOM 63 CA SER A 17 -36.351 9.982 6.010 1.00 40.22 C ATOM 64 C SER A 17 -35.551 10.370 4.776 1.00 50.56 C ATOM 65 O SER A 17 -36.005 10.180 3.648 1.00 50.86 O ATOM 66 CB SER A 17 -35.772 8.680 6.578 1.00 38.21 C ATOM 67 OG SER A 17 -36.702 8.019 7.418 1.00 70.34 O ATOM 68 HG SER A 17 -36.296 7.186 7.766 1.00 0.00 H ATOM 69 H SER A 17 -38.113 8.931 5.313 1.00 0.00 H ATOM 70 N VAL A 18 -34.353 10.903 4.992 1.00 52.62 N ATOM 71 CA VAL A 18 -33.354 10.981 3.921 1.00 37.81 C ATOM 72 C VAL A 18 -31.951 10.649 4.460 1.00 41.91 C ATOM 73 O VAL A 18 -31.462 11.262 5.409 1.00 49.91 O ATOM 74 CB VAL A 18 -33.357 12.372 3.206 1.00 41.32 C ATOM 75 CG1 VAL A 18 -33.016 13.529 4.158 1.00 39.26 C ATOM 76 CG2 VAL A 18 -32.421 12.348 2.019 1.00 39.23 C ATOM 77 H VAL A 18 -34.120 11.271 5.936 1.00 0.00 H ATOM 78 N SER A 19 -31.325 9.640 3.863 1.00 34.12 N ATOM 79 CA SER A 19 -30.003 9.190 4.279 1.00 44.26 C ATOM 80 C SER A 19 -28.914 9.672 3.332 1.00 40.01 C ATOM 81 O SER A 19 -29.119 9.701 2.131 1.00 42.77 O ATOM 82 CB SER A 19 -29.954 7.662 4.359 1.00 47.20 C ATOM 83 OG SER A 19 -31.075 7.143 5.050 1.00 52.06 O ATOM 84 HG SER A 19 -31.090 7.505 5.971 1.00 0.00 H ATOM 85 H SER A 19 -31.795 9.155 3.072 1.00 0.00 H ATOM 86 N VAL A 20 -27.760 10.059 3.872 1.00 42.49 N ATOM 87 CA VAL A 20 -26.568 10.267 3.048 1.00 41.08 C ATOM 88 C VAL A 20 -25.339 9.673 3.729 1.00 35.41 C ATOM 89 O VAL A 20 -25.346 9.396 4.937 1.00 37.57 O ATOM 90 CB VAL A 20 -26.293 11.770 2.755 1.00 39.45 C ATOM 91 CG1 VAL A 20 -27.570 12.495 2.356 1.00 48.93 C ATOM 92 CG2 VAL A 20 -25.677 12.441 3.946 1.00 37.26 C ATOM 93 H VAL A 20 -27.704 10.216 4.899 1.00 0.00 H ATOM 94 N TRP A 21 -24.286 9.465 2.951 1.00 32.21 N ATOM 95 CA TRP A 21 -22.985 9.160 3.535 1.00 36.51 C ATOM 96 C TRP A 21 -22.205 10.451 3.644 1.00 39.76 C ATOM 97 O TRP A 21 -22.278 11.313 2.765 1.00 52.76 O ATOM 98 CB TRP A 21 -22.206 8.146 2.702 1.00 24.33 C ATOM 99 CG TRP A 21 -22.800 6.796 2.704 1.00 24.22 C ATOM 100 CD1 TRP A 21 -23.785 6.333 1.880 1.00 25.56 C ATOM 101 CD2 TRP A 21 -22.458 5.712 3.576 1.00 36.86 C ATOM 102 NE1 TRP A 21 -24.077 5.023 2.182 1.00 30.51 N ATOM 103 CE2 TRP A 21 -23.272 4.616 3.214 1.00 23.63 C ATOM 104 CE3 TRP A 21 -21.543 5.562 4.630 1.00 21.61 C ATOM 105 CZ2 TRP A 21 -23.200 3.394 3.863 1.00 22.98 C ATOM 106 CZ3 TRP A 21 -21.472 4.346 5.272 1.00 20.99 C ATOM 107 CH2 TRP A 21 -22.301 3.277 4.891 1.00 42.67 C ATOM 108 HE1 TRP A 21 -24.792 4.437 1.705 1.00 0.00 H ATOM 109 H TRP A 21 -24.388 9.520 1.917 1.00 0.00 H ATOM 110 N VAL A 22 -21.472 10.589 4.736 1.00 37.44 N ATOM 111 CA VAL A 22 -20.709 11.794 4.992 1.00 34.30 C ATOM 112 C VAL A 22 -19.265 11.392 5.156 1.00 36.79 C ATOM 113 O VAL A 22 -18.908 10.698 6.119 1.00 35.45 O ATOM 114 CB VAL A 22 -21.210 12.532 6.251 1.00 32.28 C ATOM 115 CG1 VAL A 22 -20.427 13.818 6.458 1.00 24.97 C ATOM 116 CG2 VAL A 22 -22.709 12.812 6.145 1.00 25.87 C ATOM 117 H VAL A 22 -21.442 9.813 5.428 1.00 0.00 H ATOM 118 N GLY A 23 -18.436 11.799 4.201 1.00 41.03 N ATOM 119 CA GLY A 23 -17.040 11.402 4.203 1.00 43.03 C ATOM 120 C GLY A 23 -16.103 12.522 4.582 1.00 39.22 C ATOM 121 O GLY A 23 -14.893 12.311 4.736 1.00 46.00 O ATOM 122 H GLY A 23 -18.793 12.412 3.440 1.00 0.00 H ATOM 123 N ASP A 24 -16.686 13.705 4.757 1.00 31.78 N ATOM 124 CA ASP A 24 -15.939 14.931 5.006 1.00 35.34 C ATOM 125 C ASP A 24 -16.336 15.640 6.312 1.00 35.58 C ATOM 126 O ASP A 24 -16.324 16.870 6.376 1.00 44.36 O ATOM 127 CB ASP A 24 -16.151 15.886 3.836 1.00 39.32 C ATOM 128 CG ASP A 24 -17.589 16.364 3.732 1.00 47.54 C ATOM 129 OD1 ASP A 24 -18.460 15.787 4.427 1.00 45.48 O ATOM 130 OD2 ASP A 24 -17.849 17.317 2.960 1.00 57.73 O ATOM 131 H ASP A 24 -17.724 13.757 4.714 1.00 0.00 H ATOM 132 N LYS A 25 -16.721 14.882 7.335 1.00 29.85 N ATOM 133 CA LYS A 25 -17.205 15.502 8.559 1.00 30.26 C ATOM 134 C LYS A 25 -16.055 16.241 9.242 1.00 30.61 C ATOM 135 O LYS A 25 -14.946 15.716 9.326 1.00 34.95 O ATOM 136 CB LYS A 25 -17.811 14.453 9.483 1.00 23.34 C ATOM 137 CG LYS A 25 -18.523 15.018 10.682 1.00 27.21 C ATOM 138 CD LYS A 25 -19.145 13.899 11.513 1.00 32.49 C ATOM 139 CE LYS A 25 -20.391 13.339 10.848 1.00 34.75 C ATOM 140 NZ LYS A 25 -21.546 14.267 10.958 1.00 35.29 N ATOM 141 HZ1 LYS A 25 -21.760 14.434 11.962 1.00 0.00 H ATOM 142 HZ2 LYS A 25 -21.309 15.169 10.498 1.00 0.00 H ATOM 143 HZ3 LYS A 25 -22.374 13.845 10.491 1.00 0.00 H ATOM 144 H LYS A 25 -16.676 13.846 7.260 1.00 0.00 H ATOM 145 N THR A 26 -16.294 17.470 9.692 1.00 28.89 N ATOM 146 CA THR A 26 -15.230 18.212 10.369 1.00 33.64 C ATOM 147 C THR A 26 -15.561 18.411 11.838 1.00 34.60 C ATOM 148 O THR A 26 -14.782 18.068 12.705 1.00 46.86 O ATOM 149 CB THR A 26 -14.974 19.592 9.720 1.00 40.97 C ATOM 150 OG1 THR A 26 -16.228 20.223 9.407 1.00 42.46 O ATOM 151 CG2 THR A 26 -14.145 19.439 8.451 1.00 28.04 C ATOM 152 HG1 THR A 26 -16.058 21.106 8.992 1.00 0.00 H ATOM 153 H THR A 26 -17.232 17.901 9.563 1.00 0.00 H ATOM 154 N THR A 27 -16.744 18.934 12.105 1.00 30.43 N ATOM 155 CA THR A 27 -17.132 19.337 13.445 1.00 32.23 C ATOM 156 C THR A 27 -18.245 18.439 14.015 1.00 28.38 C ATOM 157 O THR A 27 -19.069 17.917 13.267 1.00 27.93 O ATOM 158 CB THR A 27 -17.549 20.823 13.420 1.00 38.33 C ATOM 159 OG1 THR A 27 -16.443 21.629 13.867 1.00 42.41 O ATOM 160 CG2 THR A 27 -18.781 21.087 14.276 1.00 44.63 C ATOM 161 HG1 THR A 27 -16.705 22.584 13.853 1.00 0.00 H ATOM 162 H THR A 27 -17.422 19.062 11.327 1.00 0.00 H ATOM 163 N ALA A 28 -18.242 18.219 15.333 1.00 28.55 N ATOM 164 CA ALA A 28 -19.219 17.314 15.942 1.00 28.15 C ATOM 165 C ALA A 28 -19.315 17.469 17.457 1.00 29.16 C ATOM 166 O ALA A 28 -18.444 18.066 18.100 1.00 30.73 O ATOM 167 CB ALA A 28 -18.882 15.866 15.588 1.00 29.64 C ATOM 168 H ALA A 28 -17.538 18.696 15.933 1.00 0.00 H ATOM 169 N THR A 29 -20.377 16.916 18.028 1.00 29.38 N ATOM 170 CA THR A 29 -20.524 16.895 19.474 1.00 38.11 C ATOM 171 C THR A 29 -20.324 15.494 19.999 1.00 34.56 C ATOM 172 O THR A 29 -20.960 14.557 19.541 1.00 29.33 O ATOM 173 CB THR A 29 -21.890 17.396 19.919 1.00 44.61 C ATOM 174 OG1 THR A 29 -22.050 18.753 19.497 1.00 33.43 O ATOM 175 CG2 THR A 29 -21.998 17.318 21.439 1.00 46.88 C ATOM 176 HG1 THR A 29 -22.938 19.084 19.784 1.00 0.00 H ATOM 177 H THR A 29 -21.116 16.491 17.432 1.00 0.00 H ATOM 178 N ASP A 30 -19.421 15.347 20.950 1.00 29.60 N ATOM 179 CA ASP A 30 -19.101 14.027 21.432 1.00 42.34 C ATOM 180 C ASP A 30 -20.101 13.634 22.515 1.00 40.93 C ATOM 181 O ASP A 30 -20.996 14.405 22.862 1.00 42.02 O ATOM 182 CB ASP A 30 -17.651 13.974 21.933 1.00 28.75 C ATOM 183 CG ASP A 30 -17.482 14.536 23.317 1.00 53.65 C ATOM 184 OD1 ASP A 30 -18.200 15.494 23.679 1.00 63.46 O ATOM 185 OD2 ASP A 30 -16.620 14.009 24.049 1.00 50.51 O ATOM 186 H ASP A 30 -18.943 16.180 21.350 1.00 0.00 H ATOM 187 N ILE A 31 -19.934 12.433 23.049 1.00 40.25 N ATOM 188 CA ILE A 31 -20.901 11.860 23.958 1.00 41.04 C ATOM 189 C ILE A 31 -20.995 12.643 25.261 1.00 42.67 C ATOM 190 O ILE A 31 -21.923 12.468 26.035 1.00 37.17 O ATOM 191 CB ILE A 31 -20.547 10.423 24.272 1.00 37.16 C ATOM 192 CG1 ILE A 31 -21.804 9.676 24.730 1.00 36.68 C ATOM 193 CG2 ILE A 31 -19.414 10.389 25.293 1.00 30.99 C ATOM 194 CD1 ILE A 31 -21.786 8.191 24.412 1.00 37.00 C ATOM 195 H ILE A 31 -19.083 11.887 22.807 1.00 0.00 H ATOM 196 N LYS A 32 -20.030 13.517 25.495 1.00 42.16 N ATOM 197 CA LYS A 32 -20.021 14.320 26.702 1.00 36.68 C ATOM 198 C LYS A 32 -20.473 15.759 26.428 1.00 41.17 C ATOM 199 O LYS A 32 -20.321 16.644 27.265 1.00 38.79 O ATOM 200 CB LYS A 32 -18.621 14.300 27.325 1.00 41.35 C ATOM 201 CG LYS A 32 -18.165 12.905 27.798 1.00 48.73 C ATOM 202 CD LYS A 32 -16.768 12.944 28.416 1.00 57.18 C ATOM 203 CE LYS A 32 -16.120 11.557 28.486 1.00 62.01 C ATOM 204 NZ LYS A 32 -14.825 11.567 29.262 1.00 65.96 N ATOM 205 HZ1 LYS A 32 -14.152 12.214 28.803 1.00 0.00 H ATOM 206 HZ2 LYS A 32 -15.008 11.887 30.235 1.00 0.00 H ATOM 207 HZ3 LYS A 32 -14.426 10.607 29.281 1.00 0.00 H ATOM 208 H LYS A 32 -19.264 13.630 24.801 1.00 0.00 H ATOM 209 N GLY A 33 -21.024 15.996 25.247 1.00 37.58 N ATOM 210 CA GLY A 33 -21.546 17.308 24.945 1.00 36.84 C ATOM 211 C GLY A 33 -20.514 18.342 24.547 1.00 37.05 C ATOM 212 O GLY A 33 -20.864 19.499 24.320 1.00 38.34 O ATOM 213 H GLY A 33 -21.081 15.238 24.538 1.00 0.00 H ATOM 214 N LYS A 34 -19.248 17.953 24.440 1.00 35.99 N ATOM 215 CA LYS A 34 -18.254 18.913 23.970 1.00 36.24 C ATOM 216 C LYS A 34 -18.137 18.908 22.432 1.00 35.99 C ATOM 217 O LYS A 34 -18.417 17.905 21.756 1.00 32.69 O ATOM 218 CB LYS A 34 -16.890 18.662 24.628 1.00 53.20 C ATOM 219 CG LYS A 34 -16.047 17.585 23.989 1.00 61.29 C ATOM 220 CD LYS A 34 -14.769 17.318 24.783 1.00 68.57 C ATOM 221 CE LYS A 34 -13.845 18.534 24.787 1.00 73.00 C ATOM 222 NZ LYS A 34 -12.498 18.210 25.339 1.00 72.46 N ATOM 223 HZ1 LYS A 34 -12.598 17.874 26.318 1.00 0.00 H ATOM 224 HZ2 LYS A 34 -12.057 17.468 24.759 1.00 0.00 H ATOM 225 HZ3 LYS A 34 -11.904 19.063 25.323 1.00 0.00 H ATOM 226 H LYS A 34 -18.970 16.982 24.687 1.00 0.00 H ATOM 227 N GLU A 35 -17.766 20.069 21.893 1.00 38.73 N ATOM 228 CA GLU A 35 -17.564 20.249 20.460 1.00 38.22 C ATOM 229 C GLU A 35 -16.175 19.772 20.077 1.00 32.84 C ATOM 230 O GLU A 35 -15.160 20.207 20.629 1.00 33.71 O ATOM 231 CB GLU A 35 -17.744 21.709 20.050 1.00 47.54 C ATOM 232 CG GLU A 35 -17.443 21.970 18.580 1.00 65.82 C ATOM 233 CD GLU A 35 -16.872 23.366 18.321 1.00 78.15 C ATOM 234 OE1 GLU A 35 -17.534 24.368 18.687 1.00 84.66 O ATOM 235 OE2 GLU A 35 -15.755 23.454 17.750 1.00 78.02 O ATOM 236 H GLU A 35 -17.614 20.883 22.522 1.00 0.00 H ATOM 237 N VAL A 36 -16.134 18.850 19.135 1.00 30.88 N ATOM 238 CA VAL A 36 -14.873 18.272 18.740 1.00 31.19 C ATOM 239 C VAL A 36 -14.709 18.333 17.228 1.00 36.15 C ATOM 240 O VAL A 36 -15.681 18.487 16.478 1.00 28.58 O ATOM 241 CB VAL A 36 -14.756 16.817 19.234 1.00 28.31 C ATOM 242 CG1 VAL A 36 -14.769 16.788 20.761 1.00 29.64 C ATOM 243 CG2 VAL A 36 -15.873 15.952 18.658 1.00 27.16 C ATOM 244 H VAL A 36 -17.014 18.539 18.676 1.00 0.00 H ATOM 245 N THR A 37 -13.463 18.230 16.788 1.00 32.57 N ATOM 246 CA THR A 37 -13.159 18.183 15.367 1.00 28.78 C ATOM 247 C THR A 37 -12.946 16.737 14.984 1.00 25.30 C ATOM 248 O THR A 37 -12.293 16.009 15.711 1.00 27.90 O ATOM 249 CB THR A 37 -11.896 19.017 15.016 1.00 36.49 C ATOM 250 OG1 THR A 37 -12.041 20.366 15.508 1.00 32.67 O ATOM 251 CG2 THR A 37 -11.668 19.040 13.518 1.00 27.44 C ATOM 252 HG1 THR A 37 -11.232 20.888 15.279 1.00 0.00 H ATOM 253 H THR A 37 -12.684 18.182 17.476 1.00 0.00 H ATOM 254 N VAL A 38 -13.507 16.329 13.852 1.00 31.87 N ATOM 255 CA VAL A 38 -13.319 14.987 13.288 1.00 28.86 C ATOM 256 C VAL A 38 -12.210 14.995 12.234 1.00 27.17 C ATOM 257 O VAL A 38 -12.223 15.832 11.338 1.00 32.28 O ATOM 258 CB VAL A 38 -14.627 14.464 12.625 1.00 26.28 C ATOM 259 CG1 VAL A 38 -14.435 13.066 12.023 1.00 21.03 C ATOM 260 CG2 VAL A 38 -15.785 14.497 13.619 1.00 26.11 C ATOM 261 H VAL A 38 -14.114 16.998 13.336 1.00 0.00 H ATOM 262 N LEU A 39 -11.254 14.079 12.341 1.00 22.59 N ATOM 263 CA LEU A 39 -10.234 13.920 11.305 1.00 21.16 C ATOM 264 C LEU A 39 -10.752 13.038 10.161 1.00 52.41 C ATOM 265 O LEU A 39 -10.697 11.807 10.231 1.00 52.82 O ATOM 266 CB LEU A 39 -8.939 13.342 11.907 1.00 25.22 C ATOM 267 CG LEU A 39 -8.358 14.144 13.102 1.00 29.92 C ATOM 268 CD1 LEU A 39 -7.066 13.578 13.603 1.00 30.88 C ATOM 269 CD2 LEU A 39 -8.152 15.611 12.754 1.00 31.74 C ATOM 270 H LEU A 39 -11.230 13.463 13.178 1.00 0.00 H ATOM 271 N ALA A 40 -11.279 13.690 9.126 1.00 39.41 N ATOM 272 CA ALA A 40 -11.723 13.036 7.887 1.00 44.54 C ATOM 273 C ALA A 40 -10.807 11.911 7.376 1.00 41.94 C ATOM 274 O ALA A 40 -11.263 10.788 7.115 1.00 43.20 O ATOM 275 CB ALA A 40 -11.871 14.087 6.798 1.00 45.01 C ATOM 276 H ALA A 40 -11.382 14.722 9.199 1.00 0.00 H ATOM 277 N GLU A 41 -9.522 12.227 7.211 1.00 35.40 N ATOM 278 CA GLU A 41 -8.572 11.274 6.647 1.00 28.71 C ATOM 279 C GLU A 41 -7.334 11.083 7.492 1.00 22.34 C ATOM 280 O GLU A 41 -6.821 12.018 8.116 1.00 22.39 O ATOM 281 CB GLU A 41 -8.122 11.714 5.263 1.00 30.78 C ATOM 282 CG GLU A 41 -9.245 11.985 4.327 1.00 40.50 C ATOM 283 CD GLU A 41 -8.768 12.618 3.052 1.00 53.66 C ATOM 284 OE1 GLU A 41 -7.541 12.876 2.940 1.00 50.31 O ATOM 285 OE2 GLU A 41 -9.627 12.845 2.170 1.00 65.65 O ATOM 286 H GLU A 41 -9.190 13.172 7.490 1.00 0.00 H ATOM 287 N VAL A 42 -6.834 9.859 7.493 1.00 19.77 N ATOM 288 CA VAL A 42 -5.516 9.649 8.025 1.00 19.87 C ATOM 289 C VAL A 42 -4.648 9.062 6.915 1.00 23.24 C ATOM 290 O VAL A 42 -5.017 8.075 6.251 1.00 19.28 O ATOM 291 CB VAL A 42 -5.542 8.756 9.234 1.00 18.12 C ATOM 292 CG1 VAL A 42 -4.117 8.513 9.682 1.00 19.33 C ATOM 293 CG2 VAL A 42 -6.368 9.424 10.339 1.00 18.17 C ATOM 294 H VAL A 42 -7.385 9.062 7.115 1.00 0.00 H ATOM 295 N ASN A 43 -3.518 9.715 6.688 1.00 20.41 N ATOM 296 CA ASN A 43 -2.612 9.346 5.620 1.00 23.80 C ATOM 297 C ASN A 43 -1.426 8.667 6.271 1.00 22.61 C ATOM 298 O ASN A 43 -0.684 9.291 7.013 1.00 21.20 O ATOM 299 CB ASN A 43 -2.188 10.592 4.811 1.00 23.34 C ATOM 300 CG ASN A 43 -1.152 10.290 3.727 1.00 23.08 C ATOM 301 OD1 ASN A 43 -0.435 9.298 3.795 1.00 24.57 O ATOM 302 ND2 ASN A 43 -1.064 11.161 2.728 1.00 22.72 N ATOM 303 HD22 ASN A 43 -1.690 11.991 2.705 1.00 0.00 H ATOM 304 HD21 ASN A 43 -0.369 11.013 1.969 1.00 0.00 H ATOM 305 H ASN A 43 -3.273 10.521 7.298 1.00 0.00 H ATOM 306 N ILE A 44 -1.256 7.384 5.992 1.00 20.78 N ATOM 307 CA ILE A 44 -0.082 6.670 6.446 1.00 20.08 C ATOM 308 C ILE A 44 0.721 6.149 5.260 1.00 19.76 C ATOM 309 O ILE A 44 0.274 5.254 4.554 1.00 19.18 O ATOM 310 CB ILE A 44 -0.471 5.508 7.362 1.00 25.14 C ATOM 311 CG1 ILE A 44 -1.072 6.063 8.642 1.00 29.07 C ATOM 312 CG2 ILE A 44 0.754 4.646 7.720 1.00 24.51 C ATOM 313 CD1 ILE A 44 -1.956 5.082 9.336 1.00 27.19 C ATOM 314 H ILE A 44 -1.978 6.881 5.438 1.00 0.00 H ATOM 315 N ASN A 45 1.906 6.716 5.059 1.00 20.47 N ATOM 316 CA ASN A 45 2.792 6.344 3.957 1.00 21.15 C ATOM 317 C ASN A 45 2.045 6.270 2.625 1.00 26.79 C ATOM 318 O ASN A 45 2.243 5.326 1.844 1.00 28.17 O ATOM 319 CB ASN A 45 3.484 5.014 4.245 1.00 21.19 C ATOM 320 CG ASN A 45 4.934 5.004 3.803 1.00 25.50 C ATOM 321 OD1 ASN A 45 5.612 6.043 3.831 1.00 30.57 O ATOM 322 ND2 ASN A 45 5.427 3.831 3.400 1.00 22.67 N ATOM 323 HD22 ASN A 45 4.820 2.986 3.394 1.00 0.00 H ATOM 324 HD21 ASN A 45 6.418 3.762 3.092 1.00 0.00 H ATOM 325 H ASN A 45 2.218 7.459 5.716 1.00 0.00 H ATOM 326 N ASN A 46 1.186 7.272 2.402 1.00 21.04 N ATOM 327 CA ASN A 46 0.346 7.411 1.218 1.00 21.24 C ATOM 328 C ASN A 46 -0.808 6.425 1.161 1.00 20.37 C ATOM 329 O ASN A 46 -1.517 6.372 0.173 1.00 20.65 O ATOM 330 CB ASN A 46 1.179 7.299 -0.048 1.00 30.91 C ATOM 331 CG ASN A 46 2.010 8.534 -0.293 1.00 23.60 C ATOM 332 OD1 ASN A 46 1.520 9.653 -0.160 1.00 24.98 O ATOM 333 ND2 ASN A 46 3.277 8.341 -0.642 1.00 24.50 N ATOM 334 HD22 ASN A 46 3.647 7.374 -0.742 1.00 0.00 H ATOM 335 HD21 ASN A 46 3.899 9.157 -0.815 1.00 0.00 H ATOM 336 H ASN A 46 1.112 8.010 3.131 1.00 0.00 H ATOM 337 N SER A 47 -1.013 5.654 2.219 1.00 25.76 N ATOM 338 CA SER A 47 -2.241 4.877 2.326 1.00 18.74 C ATOM 339 C SER A 47 -3.256 5.710 3.125 1.00 18.27 C ATOM 340 O SER A 47 -2.973 6.143 4.253 1.00 18.09 O ATOM 341 CB SER A 47 -1.969 3.525 2.983 1.00 19.91 C ATOM 342 OG SER A 47 -3.166 2.791 3.172 1.00 36.29 O ATOM 343 HG SER A 47 -2.955 1.923 3.598 1.00 0.00 H ATOM 344 H SER A 47 -0.298 5.603 2.972 1.00 0.00 H ATOM 345 N VAL A 48 -4.419 5.966 2.540 1.00 18.30 N ATOM 346 CA VAL A 48 -5.349 6.886 3.173 1.00 18.14 C ATOM 347 C VAL A 48 -6.567 6.201 3.738 1.00 17.48 C ATOM 348 O VAL A 48 -7.292 5.521 3.020 1.00 24.19 O ATOM 349 CB VAL A 48 -5.828 7.972 2.208 1.00 22.38 C ATOM 350 CG1 VAL A 48 -6.940 8.769 2.844 1.00 18.97 C ATOM 351 CG2 VAL A 48 -4.663 8.881 1.810 1.00 24.92 C ATOM 352 H VAL A 48 -4.663 5.512 1.637 1.00 0.00 H ATOM 353 N PHE A 49 -6.777 6.403 5.032 1.00 17.07 N ATOM 354 CA PHE A 49 -7.953 5.923 5.734 1.00 21.98 C ATOM 355 C PHE A 49 -8.986 7.043 5.829 1.00 26.30 C ATOM 356 O PHE A 49 -8.733 8.085 6.454 1.00 17.43 O ATOM 357 CB PHE A 49 -7.563 5.425 7.129 1.00 21.04 C ATOM 358 CG PHE A 49 -6.419 4.455 7.113 1.00 26.58 C ATOM 359 CD1 PHE A 49 -5.126 4.885 6.830 1.00 18.22 C ATOM 360 CD2 PHE A 49 -6.640 3.101 7.351 1.00 16.10 C ATOM 361 CE1 PHE A 49 -4.071 3.979 6.788 1.00 26.31 C ATOM 362 CE2 PHE A 49 -5.588 2.185 7.304 1.00 16.31 C ATOM 363 CZ PHE A 49 -4.299 2.623 7.038 1.00 16.65 C ATOM 364 H PHE A 49 -6.062 6.932 5.571 1.00 0.00 H ATOM 365 N ARG A 50 -10.140 6.842 5.198 1.00 32.85 N ATOM 366 CA ARG A 50 -11.202 7.836 5.254 1.00 31.93 C ATOM 367 C ARG A 50 -12.255 7.429 6.282 1.00 32.41 C ATOM 368 O ARG A 50 -12.545 6.256 6.438 1.00 31.16 O ATOM 369 CB ARG A 50 -11.827 8.031 3.867 1.00 30.75 C ATOM 370 CG ARG A 50 -12.389 9.448 3.622 1.00 42.30 C ATOM 371 CD ARG A 50 -12.685 9.742 2.148 1.00 55.47 C ATOM 372 NE ARG A 50 -11.474 9.877 1.338 1.00 68.47 N ATOM 373 CZ ARG A 50 -10.896 8.878 0.669 1.00 70.80 C ATOM 374 NH1 ARG A 50 -11.412 7.650 0.709 1.00 70.11 N ATOM 375 NH2 ARG A 50 -9.791 9.103 -0.038 1.00 67.13 N ATOM 376 HE ARG A 50 -11.033 10.817 1.280 1.00 0.00 H ATOM 377 HH12 ARG A 50 -10.955 6.877 0.185 1.00 0.00 H ATOM 378 HH11 ARG A 50 -12.271 7.465 1.265 1.00 0.00 H ATOM 379 HH22 ARG A 50 -9.340 8.325 -0.560 1.00 0.00 H ATOM 380 HH21 ARG A 50 -9.379 10.057 -0.069 1.00 0.00 H ATOM 381 H ARG A 50 -10.285 5.965 4.659 1.00 0.00 H ATOM 382 N GLN A 51 -12.802 8.390 7.014 1.00 32.79 N ATOM 383 CA GLN A 51 -13.918 8.097 7.906 1.00 17.60 C ATOM 384 C GLN A 51 -15.213 8.523 7.252 1.00 22.87 C ATOM 385 O GLN A 51 -15.427 9.714 6.984 1.00 19.38 O ATOM 386 CB GLN A 51 -13.791 8.817 9.237 1.00 25.79 C ATOM 387 CG GLN A 51 -12.736 8.301 10.177 1.00 34.57 C ATOM 388 CD GLN A 51 -12.816 9.003 11.523 1.00 50.93 C ATOM 389 OE1 GLN A 51 -13.592 8.613 12.397 1.00 59.25 O ATOM 390 NE2 GLN A 51 -12.027 10.056 11.688 1.00 58.09 N ATOM 391 HE22 GLN A 51 -11.387 10.351 10.923 1.00 0.00 H ATOM 392 HE21 GLN A 51 -12.049 10.587 12.582 1.00 0.00 H ATOM 393 H GLN A 51 -12.432 9.360 6.952 1.00 0.00 H ATOM 394 N TYR A 52 -16.075 7.544 7.002 1.00 23.92 N ATOM 395 CA TYR A 52 -17.406 7.782 6.462 1.00 24.82 C ATOM 396 C TYR A 52 -18.472 7.530 7.540 1.00 21.07 C ATOM 397 O TYR A 52 -18.377 6.579 8.301 1.00 25.08 O ATOM 398 CB TYR A 52 -17.663 6.877 5.244 1.00 23.94 C ATOM 399 CG TYR A 52 -17.105 7.388 3.936 1.00 27.33 C ATOM 400 CD1 TYR A 52 -17.780 8.372 3.210 1.00 45.41 C ATOM 401 CD2 TYR A 52 -15.922 6.872 3.400 1.00 24.69 C ATOM 402 CE1 TYR A 52 -17.286 8.858 1.986 1.00 51.49 C ATOM 403 CE2 TYR A 52 -15.409 7.354 2.168 1.00 30.52 C ATOM 404 CZ TYR A 52 -16.102 8.349 1.472 1.00 51.51 C ATOM 405 OH TYR A 52 -15.619 8.840 0.270 1.00 72.40 O ATOM 406 HH TYR A 52 -16.237 9.533 -0.074 1.00 0.00 H ATOM 407 H TYR A 52 -15.787 6.565 7.201 1.00 0.00 H ATOM 408 N PHE A 53 -19.483 8.387 7.595 1.00 30.30 N ATOM 409 CA PHE A 53 -20.618 8.180 8.488 1.00 34.04 C ATOM 410 C PHE A 53 -21.918 8.119 7.706 1.00 32.91 C ATOM 411 O PHE A 53 -22.128 8.884 6.759 1.00 31.74 O ATOM 412 CB PHE A 53 -20.706 9.292 9.537 1.00 34.51 C ATOM 413 CG PHE A 53 -19.451 9.464 10.327 1.00 32.98 C ATOM 414 CD1 PHE A 53 -19.187 8.655 11.416 1.00 30.38 C ATOM 415 CD2 PHE A 53 -18.521 10.425 9.967 1.00 26.07 C ATOM 416 CE1 PHE A 53 -18.020 8.806 12.141 1.00 32.55 C ATOM 417 CE2 PHE A 53 -17.359 10.568 10.676 1.00 27.76 C ATOM 418 CZ PHE A 53 -17.107 9.757 11.774 1.00 32.62 C ATOM 419 H PHE A 53 -19.466 9.229 6.985 1.00 0.00 H ATOM 420 N PHE A 54 -22.793 7.213 8.119 1.00 29.47 N ATOM 421 CA PHE A 54 -24.096 7.057 7.499 1.00 25.35 C ATOM 422 C PHE A 54 -25.162 7.811 8.305 1.00 23.98 C ATOM 423 O PHE A 54 -25.504 7.448 9.430 1.00 23.91 O ATOM 424 CB PHE A 54 -24.430 5.567 7.377 1.00 22.83 C ATOM 425 CG PHE A 54 -25.676 5.292 6.606 1.00 35.37 C ATOM 426 CD1 PHE A 54 -25.745 5.588 5.260 1.00 36.35 C ATOM 427 CD2 PHE A 54 -26.788 4.738 7.229 1.00 30.28 C ATOM 428 CE1 PHE A 54 -26.909 5.335 4.544 1.00 36.17 C ATOM 429 CE2 PHE A 54 -27.941 4.481 6.520 1.00 30.53 C ATOM 430 CZ PHE A 54 -28.003 4.777 5.177 1.00 30.76 C ATOM 431 H PHE A 54 -22.537 6.593 8.914 1.00 0.00 H ATOM 432 N GLU A 55 -25.685 8.883 7.745 1.00 29.04 N ATOM 433 CA GLU A 55 -26.629 9.671 8.515 1.00 32.65 C ATOM 434 C GLU A 55 -27.998 9.631 7.888 1.00 37.22 C ATOM 435 O GLU A 55 -28.133 9.669 6.665 1.00 43.43 O ATOM 436 CB GLU A 55 -26.147 11.105 8.650 1.00 26.66 C ATOM 437 CG GLU A 55 -24.875 11.196 9.425 1.00 49.63 C ATOM 438 CD GLU A 55 -24.405 12.613 9.586 1.00 57.50 C ATOM 439 OE1 GLU A 55 -25.244 13.536 9.539 1.00 59.61 O ATOM 440 OE2 GLU A 55 -23.190 12.807 9.758 1.00 60.34 O ATOM 441 H GLU A 55 -25.428 9.157 6.775 1.00 0.00 H ATOM 442 N THR A 56 -29.010 9.528 8.740 1.00 40.16 N ATOM 443 CA THR A 56 -30.391 9.589 8.301 1.00 41.96 C ATOM 444 C THR A 56 -31.028 10.810 8.956 1.00 37.84 C ATOM 445 O THR A 56 -30.779 11.087 10.133 1.00 36.12 O ATOM 446 CB THR A 56 -31.161 8.296 8.649 1.00 47.49 C ATOM 447 OG1 THR A 56 -30.524 7.173 8.022 1.00 46.51 O ATOM 448 CG2 THR A 56 -32.618 8.382 8.167 1.00 49.84 C ATOM 449 HG1 THR A 56 -29.592 7.099 8.348 1.00 0.00 H ATOM 450 H THR A 56 -28.807 9.400 9.752 1.00 0.00 H ATOM 451 N LYS A 57 -31.813 11.554 8.178 1.00 33.58 N ATOM 452 CA LYS A 57 -32.382 12.818 8.621 1.00 42.91 C ATOM 453 C LYS A 57 -33.848 12.897 8.185 1.00 43.97 C ATOM 454 O LYS A 57 -34.255 12.215 7.236 1.00 42.88 O ATOM 455 CB LYS A 57 -31.577 13.986 8.047 1.00 54.01 C ATOM 456 CG LYS A 57 -31.812 15.318 8.732 1.00 69.76 C ATOM 457 CD LYS A 57 -30.478 15.971 9.102 1.00 78.19 C ATOM 458 CE LYS A 57 -30.667 17.178 10.034 1.00 79.81 C ATOM 459 NZ LYS A 57 -29.361 17.782 10.458 1.00 77.16 N ATOM 460 HZ1 LYS A 57 -28.799 17.069 10.965 1.00 0.00 H ATOM 461 HZ2 LYS A 57 -28.840 18.103 9.617 1.00 0.00 H ATOM 462 HZ3 LYS A 57 -29.542 18.592 11.085 1.00 0.00 H ATOM 463 H LYS A 57 -32.027 11.219 7.217 1.00 0.00 H ATOM 464 N CYS A 58 -34.649 13.704 8.877 1.00 42.86 N ATOM 465 CA CYS A 58 -36.020 13.918 8.438 1.00 41.47 C ATOM 466 C CYS A 58 -36.031 14.686 7.135 1.00 53.32 C ATOM 467 O CYS A 58 -35.164 15.526 6.905 1.00 48.31 O ATOM 468 CB CYS A 58 -36.838 14.677 9.481 1.00 43.06 C ATOM 469 SG CYS A 58 -37.447 13.632 10.784 1.00 59.14 S ATOM 470 H CYS A 58 -34.295 14.181 9.731 1.00 0.00 H ATOM 471 N ARG A 59 -37.007 14.383 6.282 1.00 57.96 N ATOM 472 CA ARG A 59 -37.227 15.154 5.072 1.00 57.85 C ATOM 473 C ARG A 59 -37.931 16.415 5.517 1.00 65.73 C ATOM 474 O ARG A 59 -37.338 17.498 5.562 1.00 68.63 O ATOM 475 CB ARG A 59 -38.061 14.377 4.045 1.00 56.44 C ATOM 476 CG ARG A 59 -37.539 14.495 2.612 1.00 67.05 C ATOM 477 CD ARG A 59 -38.463 13.847 1.568 1.00 76.80 C ATOM 478 NE ARG A 59 -38.604 12.399 1.742 1.00 82.16 N ATOM 479 CZ ARG A 59 -37.759 11.489 1.258 1.00 84.54 C ATOM 480 NH1 ARG A 59 -36.685 11.865 0.571 1.00 81.97 N ATOM 481 NH2 ARG A 59 -37.983 10.195 1.471 1.00 88.34 N ATOM 482 HE ARG A 59 -39.424 12.056 2.283 1.00 0.00 H ATOM 483 HH12 ARG A 59 -36.030 11.149 0.197 1.00 0.00 H ATOM 484 HH11 ARG A 59 -36.499 12.875 0.408 1.00 0.00 H ATOM 485 HH22 ARG A 59 -37.324 9.484 1.094 1.00 0.00 H ATOM 486 HH21 ARG A 59 -38.817 9.894 2.015 1.00 0.00 H ATOM 487 H ARG A 59 -37.627 13.574 6.488 1.00 0.00 H ATOM 488 N ALA A 60 -39.200 16.255 5.875 1.00 71.39 N ATOM 489 CA ALA A 60 -39.970 17.339 6.462 1.00 74.38 C ATOM 490 C ALA A 60 -40.385 16.965 7.882 1.00 78.16 C ATOM 491 O ALA A 60 -40.507 15.785 8.212 1.00 82.82 O ATOM 492 CB ALA A 60 -41.188 17.657 5.609 1.00 74.59 C ATOM 493 H ALA A 60 -39.654 15.331 5.732 1.00 0.00 H ATOM 494 N SER A 61 -40.572 17.977 8.722 1.00 77.34 N ATOM 495 CA SER A 61 -41.126 17.784 10.056 1.00 78.72 C ATOM 496 C SER A 61 -42.637 17.560 9.954 1.00 77.11 C ATOM 497 O SER A 61 -43.269 16.982 10.850 1.00 70.25 O ATOM 498 CB SER A 61 -40.813 18.989 10.943 1.00 86.92 C ATOM 499 OG SER A 61 -41.280 20.194 10.347 1.00 95.73 O ATOM 500 HG SER A 61 -41.066 20.958 10.939 1.00 0.00 H ATOM 501 H SER A 61 -40.315 18.938 8.418 1.00 0.00 H ATOM 502 N ASN A 62 -43.202 18.036 8.848 1.00 82.44 N ATOM 503 CA ASN A 62 -44.593 17.779 8.500 1.00 85.59 C ATOM 504 C ASN A 62 -44.686 17.175 7.099 1.00 81.55 C ATOM 505 O ASN A 62 -44.790 17.908 6.113 1.00 77.67 O ATOM 506 CB ASN A 62 -45.431 19.065 8.576 1.00 91.50 C ATOM 507 CG ASN A 62 -45.703 19.514 10.008 1.00 95.88 C ATOM 508 OD1 ASN A 62 -45.666 18.712 10.942 1.00 97.32 O ATOM 509 ND2 ASN A 62 -45.990 20.803 10.180 1.00 99.25 N ATOM 510 HD22 ASN A 62 -46.010 21.445 9.362 1.00 0.00 H ATOM 511 HD21 ASN A 62 -46.194 21.168 11.132 1.00 0.00 H ATOM 512 H ASN A 62 -42.627 18.616 8.205 1.00 0.00 H ATOM 513 N PRO A 63 -44.614 15.834 7.004 1.00 80.55 N ATOM 514 CA PRO A 63 -44.889 15.150 5.734 1.00 83.00 C ATOM 515 C PRO A 63 -46.309 15.464 5.270 1.00 87.45 C ATOM 516 O PRO A 63 -46.495 16.220 4.310 1.00 89.96 O ATOM 517 CB PRO A 63 -44.719 13.659 6.081 1.00 77.40 C ATOM 518 CG PRO A 63 -44.798 13.587 7.577 1.00 75.90 C ATOM 519 CD PRO A 63 -44.214 14.889 8.059 1.00 77.05 C ATOM 520 N VAL A 64 -47.294 14.890 5.959 1.00 87.25 N ATOM 521 CA VAL A 64 -48.677 15.330 5.841 1.00 87.83 C ATOM 522 C VAL A 64 -48.781 16.625 6.651 1.00 90.36 C ATOM 523 O VAL A 64 -47.915 16.920 7.478 1.00 93.88 O ATOM 524 CB VAL A 64 -49.685 14.250 6.345 1.00 73.90 C ATOM 525 CG1 VAL A 64 -49.497 13.963 7.830 1.00 75.28 C ATOM 526 CG2 VAL A 64 -51.122 14.674 6.063 1.00 80.57 C ATOM 527 H VAL A 64 -47.068 14.103 6.601 1.00 0.00 H ATOM 528 N GLU A 65 -49.821 17.410 6.409 1.00 92.65 N ATOM 529 CA GLU A 65 -49.942 18.697 7.076 1.00 93.58 C ATOM 530 C GLU A 65 -50.413 18.540 8.532 1.00 93.76 C ATOM 531 O GLU A 65 -50.119 19.382 9.382 1.00 93.21 O ATOM 532 CB GLU A 65 -50.875 19.598 6.267 1.00 96.57 C ATOM 533 CG GLU A 65 -50.337 19.858 4.860 1.00 98.26 C ATOM 534 CD GLU A 65 -51.430 20.000 3.813 1.00109.65 C ATOM 535 OE1 GLU A 65 -52.512 20.549 4.135 1.00114.78 O ATOM 536 OE2 GLU A 65 -51.204 19.555 2.663 1.00111.56 O ATOM 537 H GLU A 65 -50.555 17.104 5.738 1.00 0.00 H ATOM 538 N SER A 66 -51.102 17.435 8.820 1.00 92.39 N ATOM 539 CA SER A 66 -51.487 17.070 10.188 1.00 87.75 C ATOM 540 C SER A 66 -50.269 16.682 11.046 1.00 79.15 C ATOM 541 O SER A 66 -50.403 16.276 12.206 1.00 75.39 O ATOM 542 CB SER A 66 -52.491 15.912 10.162 1.00 87.94 C ATOM 543 OG SER A 66 -53.160 15.834 8.909 1.00 87.90 O ATOM 544 HG SER A 66 -53.800 15.078 8.924 1.00 0.00 H ATOM 545 H SER A 66 -51.379 16.804 8.041 1.00 0.00 H ATOM 546 N GLY A 67 -49.085 16.813 10.459 1.00 73.41 N ATOM 547 CA GLY A 67 -47.850 16.453 11.119 1.00 68.06 C ATOM 548 C GLY A 67 -47.333 15.142 10.582 1.00 62.89 C ATOM 549 O GLY A 67 -46.995 15.045 9.406 1.00 62.60 O ATOM 550 H GLY A 67 -49.045 17.188 9.490 1.00 0.00 H ATOM 551 N CYS A 68 -47.276 14.129 11.438 1.00 61.46 N ATOM 552 CA CYS A 68 -46.884 12.795 10.997 1.00 59.59 C ATOM 553 C CYS A 68 -47.991 12.168 10.146 1.00 68.30 C ATOM 554 O CYS A 68 -49.142 12.597 10.183 1.00 71.05 O ATOM 555 CB CYS A 68 -46.576 11.882 12.189 1.00 57.87 C ATOM 556 SG CYS A 68 -45.284 12.439 13.317 1.00 55.43 S ATOM 557 H CYS A 68 -47.514 14.289 12.438 1.00 0.00 H ATOM 558 N ARG A 69 -47.629 11.136 9.398 1.00 68.37 N ATOM 559 CA ARG A 69 -48.578 10.390 8.584 1.00 62.70 C ATOM 560 C ARG A 69 -49.265 9.298 9.408 1.00 63.19 C ATOM 561 O ARG A 69 -48.641 8.654 10.242 1.00 61.05 O ATOM 562 CB ARG A 69 -47.845 9.794 7.371 1.00 72.17 C ATOM 563 CG ARG A 69 -48.658 8.864 6.478 1.00 70.24 C ATOM 564 CD ARG A 69 -48.132 8.858 5.027 1.00 63.35 C ATOM 565 NE ARG A 69 -46.679 8.709 4.931 1.00 66.87 N ATOM 566 CZ ARG A 69 -45.866 9.589 4.348 1.00 62.93 C ATOM 567 NH1 ARG A 69 -46.348 10.694 3.792 1.00 61.61 N ATOM 568 NH2 ARG A 69 -44.565 9.362 4.317 1.00 56.39 N ATOM 569 HE ARG A 69 -46.251 7.857 5.347 1.00 0.00 H ATOM 570 HH12 ARG A 69 -45.703 11.373 3.340 1.00 0.00 H ATOM 571 HH11 ARG A 69 -47.371 10.881 3.808 1.00 0.00 H ATOM 572 HH22 ARG A 69 -43.928 10.047 3.863 1.00 0.00 H ATOM 573 HH21 ARG A 69 -44.177 8.498 4.747 1.00 0.00 H ATOM 574 H ARG A 69 -46.630 10.848 9.392 1.00 0.00 H ATOM 575 N GLY A 70 -50.559 9.107 9.187 1.00 71.08 N ATOM 576 CA GLY A 70 -51.289 8.015 9.808 1.00 67.16 C ATOM 577 C GLY A 70 -51.712 8.237 11.245 1.00 67.69 C ATOM 578 O GLY A 70 -52.282 7.336 11.857 1.00 68.52 O ATOM 579 H GLY A 70 -51.065 9.757 8.552 1.00 0.00 H ATOM 580 N ILE A 71 -51.429 9.423 11.784 1.00 69.74 N ATOM 581 CA ILE A 71 -51.811 9.765 13.156 1.00 68.57 C ATOM 582 C ILE A 71 -53.296 10.100 13.267 1.00 71.98 C ATOM 583 O ILE A 71 -53.874 10.725 12.376 1.00 74.05 O ATOM 584 CB ILE A 71 -50.999 10.967 13.705 1.00 70.83 C ATOM 585 CG1 ILE A 71 -51.106 12.167 12.757 1.00 70.61 C ATOM 586 CG2 ILE A 71 -49.542 10.574 13.949 1.00 63.21 C ATOM 587 CD1 ILE A 71 -51.634 13.420 13.410 1.00 70.27 C ATOM 588 H ILE A 71 -50.921 10.128 11.212 1.00 0.00 H ATOM 589 N ASP A 72 -53.909 9.667 14.363 1.00 73.11 N ATOM 590 CA ASP A 72 -55.259 10.083 14.709 1.00 76.75 C ATOM 591 C ASP A 72 -55.246 11.574 15.046 1.00 77.62 C ATOM 592 O ASP A 72 -55.213 11.945 16.222 1.00 77.76 O ATOM 593 CB ASP A 72 -55.788 9.269 15.892 1.00 77.64 C ATOM 594 CG ASP A 72 -57.302 9.331 16.019 1.00 92.93 C ATOM 595 OD1 ASP A 72 -57.925 10.252 15.438 1.00 93.16 O ATOM 596 OD2 ASP A 72 -57.868 8.451 16.707 1.00 92.02 O ATOM 597 H ASP A 72 -53.408 9.010 14.994 1.00 0.00 H ATOM 598 N SER A 73 -55.263 12.411 14.006 1.00 79.46 N ATOM 599 CA SER A 73 -55.148 13.869 14.127 1.00 83.63 C ATOM 600 C SER A 73 -56.133 14.464 15.132 1.00 91.80 C ATOM 601 O SER A 73 -55.879 15.519 15.722 1.00 90.20 O ATOM 602 CB SER A 73 -55.358 14.535 12.761 1.00 86.48 C ATOM 603 OG SER A 73 -54.458 14.036 11.788 1.00 91.61 O ATOM 604 HG SER A 73 -54.624 14.489 10.923 1.00 0.00 H ATOM 605 H SER A 73 -55.364 12.006 13.054 1.00 0.00 H ATOM 606 N LYS A 74 -57.258 13.779 15.317 1.00 98.06 N ATOM 607 CA LYS A 74 -58.294 14.222 16.241 1.00101.71 C ATOM 608 C LYS A 74 -57.799 14.310 17.688 1.00 97.43 C ATOM 609 O LYS A 74 -57.991 15.327 18.352 1.00 99.21 O ATOM 610 CB LYS A 74 -59.493 13.282 16.157 1.00108.41 C ATOM 611 CG LYS A 74 -60.742 13.817 16.829 1.00116.59 C ATOM 612 CD LYS A 74 -61.934 12.925 16.540 1.00123.15 C ATOM 613 CE LYS A 74 -61.595 11.469 16.818 1.00125.69 C ATOM 614 NZ LYS A 74 -62.808 10.609 16.772 1.00132.52 N ATOM 615 HZ1 LYS A 74 -63.488 10.932 17.489 1.00 0.00 H ATOM 616 HZ2 LYS A 74 -63.241 10.673 15.829 1.00 0.00 H ATOM 617 HZ3 LYS A 74 -62.540 9.623 16.966 1.00 0.00 H ATOM 618 H LYS A 74 -57.403 12.898 14.784 1.00 0.00 H ATOM 619 N HIS A 75 -57.156 13.249 18.165 1.00 91.85 N ATOM 620 CA HIS A 75 -56.683 13.190 19.546 1.00 83.04 C ATOM 621 C HIS A 75 -55.311 13.842 19.751 1.00 85.56 C ATOM 622 O HIS A 75 -55.078 14.523 20.753 1.00 80.48 O ATOM 623 CB HIS A 75 -56.626 11.734 20.016 1.00 86.33 C ATOM 624 CG HIS A 75 -57.964 11.072 20.119 1.00 90.44 C ATOM 625 ND1 HIS A 75 -58.114 9.700 20.145 1.00 91.74 N ATOM 626 CD2 HIS A 75 -59.213 11.586 20.220 1.00 88.89 C ATOM 627 CE1 HIS A 75 -59.394 9.400 20.252 1.00 93.32 C ATOM 628 NE2 HIS A 75 -60.084 10.528 20.300 1.00 90.69 N ATOM 629 H HIS A 75 -56.985 12.438 17.537 1.00 0.00 H ATOM 630 N TRP A 76 -54.398 13.618 18.810 1.00 84.22 N ATOM 631 CA TRP A 76 -53.027 14.094 18.971 1.00 78.91 C ATOM 632 C TRP A 76 -52.530 14.970 17.836 1.00 76.79 C ATOM 633 O TRP A 76 -52.887 14.769 16.674 1.00 74.30 O ATOM 634 CB TRP A 76 -52.052 12.933 19.086 1.00 71.21 C ATOM 635 CG TRP A 76 -52.510 11.737 19.805 1.00 71.69 C ATOM 636 CD1 TRP A 76 -53.435 10.832 19.387 1.00 73.19 C ATOM 637 CD2 TRP A 76 -51.996 11.249 21.043 1.00 70.74 C ATOM 638 NE1 TRP A 76 -53.560 9.824 20.311 1.00 73.30 N ATOM 639 CE2 TRP A 76 -52.682 10.055 21.337 1.00 71.83 C ATOM 640 CE3 TRP A 76 -51.029 11.714 21.942 1.00 69.33 C ATOM 641 CZ2 TRP A 76 -52.433 9.317 22.499 1.00 74.27 C ATOM 642 CZ3 TRP A 76 -50.781 10.980 23.094 1.00 70.76 C ATOM 643 CH2 TRP A 76 -51.482 9.796 23.363 1.00 72.95 C ATOM 644 HE1 TRP A 76 -54.214 9.018 20.243 1.00 0.00 H ATOM 645 H TRP A 76 -54.664 13.098 17.950 1.00 0.00 H ATOM 646 N ASN A 77 -51.669 15.923 18.177 1.00 78.86 N ATOM 647 CA ASN A 77 -50.835 16.535 17.162 1.00 84.22 C ATOM 648 C ASN A 77 -49.484 15.829 17.123 1.00 80.14 C ATOM 649 O ASN A 77 -49.056 15.218 18.103 1.00 84.21 O ATOM 650 CB ASN A 77 -50.646 18.026 17.401 1.00 92.27 C ATOM 651 CG ASN A 77 -50.531 18.799 16.100 1.00 99.25 C ATOM 652 OD1 ASN A 77 -49.548 18.657 15.355 1.00 95.53 O ATOM 653 ND2 ASN A 77 -51.550 19.608 15.803 1.00103.08 N ATOM 654 HD22 ASN A 77 -52.353 19.695 16.458 1.00 0.00 H ATOM 655 HD21 ASN A 77 -51.541 20.151 14.916 1.00 0.00 H ATOM 656 H ASN A 77 -51.594 16.228 19.168 1.00 0.00 H ATOM 657 N SER A 78 -48.814 15.904 15.984 1.00 73.03 N ATOM 658 CA SER A 78 -47.576 15.171 15.819 1.00 62.53 C ATOM 659 C SER A 78 -46.644 15.890 14.860 1.00 61.27 C ATOM 660 O SER A 78 -47.085 16.590 13.963 1.00 63.02 O ATOM 661 CB SER A 78 -47.873 13.754 15.325 1.00 61.83 C ATOM 662 OG SER A 78 -48.519 13.773 14.065 1.00 63.30 O ATOM 663 HG SER A 78 -47.936 14.222 13.403 1.00 0.00 H ATOM 664 H SER A 78 -49.177 16.491 15.206 1.00 0.00 H ATOM 665 N TYR A 79 -45.348 15.737 15.060 1.00 58.46 N ATOM 666 CA TYR A 79 -44.409 16.242 14.082 1.00 57.15 C ATOM 667 C TYR A 79 -43.268 15.257 13.917 1.00 66.29 C ATOM 668 O TYR A 79 -43.080 14.371 14.751 1.00 62.54 O ATOM 669 CB TYR A 79 -43.887 17.613 14.487 1.00 63.72 C ATOM 670 CG TYR A 79 -43.052 17.617 15.743 1.00 63.74 C ATOM 671 CD1 TYR A 79 -43.650 17.683 17.002 1.00 67.99 C ATOM 672 CD2 TYR A 79 -41.662 17.573 15.674 1.00 59.41 C ATOM 673 CE1 TYR A 79 -42.884 17.701 18.159 1.00 70.73 C ATOM 674 CE2 TYR A 79 -40.888 17.589 16.822 1.00 64.46 C ATOM 675 CZ TYR A 79 -41.500 17.652 18.064 1.00 72.79 C ATOM 676 OH TYR A 79 -40.726 17.663 19.214 1.00 77.84 O ATOM 677 HH TYR A 79 -41.316 17.710 20.007 1.00 0.00 H ATOM 678 H TYR A 79 -45.004 15.256 15.916 1.00 0.00 H ATOM 679 N CYS A 80 -42.515 15.403 12.833 1.00 66.10 N ATOM 680 CA CYS A 80 -41.400 14.507 12.580 1.00 49.85 C ATOM 681 C CYS A 80 -40.103 15.182 12.941 1.00 49.69 C ATOM 682 O CYS A 80 -39.905 16.370 12.692 1.00 55.93 O ATOM 683 CB CYS A 80 -41.375 14.062 11.124 1.00 49.69 C ATOM 684 SG CYS A 80 -42.803 13.075 10.623 1.00 56.66 S ATOM 685 H CYS A 80 -42.726 16.166 12.159 1.00 0.00 H ATOM 686 N THR A 81 -39.205 14.413 13.524 1.00 45.87 N ATOM 687 CA THR A 81 -38.002 15.000 14.048 1.00 47.97 C ATOM 688 C THR A 81 -36.857 14.014 14.042 1.00 41.76 C ATOM 689 O THR A 81 -37.052 12.812 14.161 1.00 43.06 O ATOM 690 CB THR A 81 -38.230 15.516 15.472 1.00 49.72 C ATOM 691 OG1 THR A 81 -36.983 15.935 16.032 1.00 55.63 O ATOM 692 CG2 THR A 81 -38.803 14.422 16.317 1.00 45.51 C ATOM 693 HG1 THR A 81 -36.358 15.167 16.054 1.00 0.00 H ATOM 694 H THR A 81 -39.366 13.389 13.604 1.00 0.00 H ATOM 695 N THR A 82 -35.658 14.547 13.891 1.00 40.46 N ATOM 696 CA THR A 82 -34.461 13.737 13.828 1.00 48.38 C ATOM 697 C THR A 82 -34.003 13.293 15.207 1.00 49.04 C ATOM 698 O THR A 82 -34.078 14.061 16.170 1.00 59.88 O ATOM 699 CB THR A 82 -33.318 14.516 13.163 1.00 56.49 C ATOM 700 OG1 THR A 82 -33.799 15.125 11.955 1.00 66.92 O ATOM 701 CG2 THR A 82 -32.124 13.595 12.870 1.00 48.07 C ATOM 702 HG1 THR A 82 -33.063 15.628 11.525 1.00 0.00 H ATOM 703 H THR A 82 -35.572 15.581 13.815 1.00 0.00 H ATOM 704 N THR A 83 -33.536 12.054 15.306 1.00 41.17 N ATOM 705 CA THR A 83 -32.873 11.590 16.518 1.00 41.17 C ATOM 706 C THR A 83 -31.505 11.050 16.178 1.00 39.58 C ATOM 707 O THR A 83 -31.214 10.771 15.021 1.00 31.84 O ATOM 708 CB THR A 83 -33.662 10.507 17.247 1.00 41.84 C ATOM 709 OG1 THR A 83 -33.996 9.460 16.326 1.00 44.02 O ATOM 710 CG2 THR A 83 -34.915 11.096 17.830 1.00 49.33 C ATOM 711 HG1 THR A 83 -34.508 8.757 16.799 1.00 0.00 H ATOM 712 H THR A 83 -33.645 11.402 14.503 1.00 0.00 H ATOM 713 N HIS A 84 -30.674 10.899 17.199 1.00 32.08 N ATOM 714 CA HIS A 84 -29.279 10.602 16.980 1.00 38.13 C ATOM 715 C HIS A 84 -28.912 9.271 17.599 1.00 29.54 C ATOM 716 O HIS A 84 -29.716 8.676 18.286 1.00 35.02 O ATOM 717 CB HIS A 84 -28.413 11.718 17.552 1.00 45.08 C ATOM 718 CG HIS A 84 -28.697 12.012 18.993 1.00 58.18 C ATOM 719 ND1 HIS A 84 -28.084 11.335 20.024 1.00 59.51 N ATOM 720 CD2 HIS A 84 -29.551 12.891 19.570 1.00 65.21 C ATOM 721 CE1 HIS A 84 -28.541 11.791 21.179 1.00 65.97 C ATOM 722 NE2 HIS A 84 -29.428 12.737 20.932 1.00 69.40 N ATOM 723 H HIS A 84 -31.032 10.996 18.171 1.00 0.00 H ATOM 724 N THR A 85 -27.712 8.787 17.294 1.00 40.28 N ATOM 725 CA THR A 85 -27.110 7.661 17.994 1.00 27.41 C ATOM 726 C THR A 85 -25.684 8.069 18.280 1.00 38.31 C ATOM 727 O THR A 85 -25.305 9.210 18.015 1.00 29.34 O ATOM 728 CB THR A 85 -27.110 6.373 17.182 1.00 45.10 C ATOM 729 OG1 THR A 85 -26.334 5.375 17.867 1.00 44.99 O ATOM 730 CG2 THR A 85 -26.483 6.621 15.827 1.00 42.32 C ATOM 731 HG1 THR A 85 -26.335 4.538 17.338 1.00 0.00 H ATOM 732 H THR A 85 -27.179 9.233 16.520 1.00 0.00 H ATOM 733 N PHE A 86 -24.881 7.147 18.800 1.00 48.72 N ATOM 734 CA PHE A 86 -23.487 7.458 19.064 1.00 25.25 C ATOM 735 C PHE A 86 -22.545 6.520 18.341 1.00 48.54 C ATOM 736 O PHE A 86 -22.609 5.302 18.495 1.00 56.15 O ATOM 737 CB PHE A 86 -23.214 7.441 20.565 1.00 36.91 C ATOM 738 CG PHE A 86 -23.837 8.586 21.288 1.00 40.90 C ATOM 739 CD1 PHE A 86 -23.215 9.824 21.310 1.00 49.40 C ATOM 740 CD2 PHE A 86 -25.062 8.441 21.917 1.00 47.27 C ATOM 741 CE1 PHE A 86 -23.798 10.897 21.955 1.00 53.89 C ATOM 742 CE2 PHE A 86 -25.651 9.508 22.560 1.00 48.58 C ATOM 743 CZ PHE A 86 -25.017 10.737 22.580 1.00 53.35 C ATOM 744 H PHE A 86 -25.252 6.200 19.019 1.00 0.00 H ATOM 745 N VAL A 87 -21.660 7.120 17.556 1.00 41.42 N ATOM 746 CA VAL A 87 -20.698 6.395 16.744 1.00 21.72 C ATOM 747 C VAL A 87 -19.283 6.787 17.131 1.00 21.37 C ATOM 748 O VAL A 87 -19.000 7.968 17.298 1.00 22.29 O ATOM 749 CB VAL A 87 -20.919 6.693 15.251 1.00 21.88 C ATOM 750 CG1 VAL A 87 -19.754 6.184 14.419 1.00 20.03 C ATOM 751 CG2 VAL A 87 -22.225 6.099 14.791 1.00 25.44 C ATOM 752 H VAL A 87 -21.655 8.159 17.520 1.00 0.00 H ATOM 753 N LYS A 88 -18.394 5.813 17.275 1.00 20.88 N ATOM 754 CA LYS A 88 -16.994 6.105 17.576 1.00 29.68 C ATOM 755 C LYS A 88 -16.315 6.801 16.385 1.00 29.61 C ATOM 756 O LYS A 88 -16.602 6.498 15.237 1.00 32.59 O ATOM 757 CB LYS A 88 -16.245 4.817 17.948 1.00 30.60 C ATOM 758 CG LYS A 88 -14.863 5.058 18.532 1.00 39.62 C ATOM 759 CD LYS A 88 -14.327 3.847 19.273 1.00 46.63 C ATOM 760 CE LYS A 88 -13.664 2.868 18.323 1.00 51.51 C ATOM 761 NZ LYS A 88 -12.685 1.984 19.026 1.00 64.27 N ATOM 762 HZ1 LYS A 88 -11.943 2.568 19.462 1.00 0.00 H ATOM 763 HZ2 LYS A 88 -13.178 1.440 19.763 1.00 0.00 H ATOM 764 HZ3 LYS A 88 -12.255 1.331 18.340 1.00 0.00 H ATOM 765 H LYS A 88 -18.699 4.824 17.172 1.00 0.00 H ATOM 766 N ALA A 89 -15.427 7.746 16.656 1.00 29.47 N ATOM 767 CA ALA A 89 -14.773 8.486 15.584 1.00 26.91 C ATOM 768 C ALA A 89 -13.434 9.064 16.052 1.00 33.99 C ATOM 769 O ALA A 89 -13.305 9.483 17.207 1.00 42.09 O ATOM 770 CB ALA A 89 -15.681 9.589 15.079 1.00 20.03 C ATOM 771 H ALA A 89 -15.194 7.963 17.646 1.00 0.00 H ATOM 772 N LEU A 90 -12.435 9.057 15.167 1.00 27.80 N ATOM 773 CA LEU A 90 -11.161 9.704 15.456 1.00 24.88 C ATOM 774 C LEU A 90 -11.382 11.213 15.472 1.00 24.95 C ATOM 775 O LEU A 90 -11.904 11.777 14.508 1.00 20.50 O ATOM 776 CB LEU A 90 -10.107 9.326 14.431 1.00 19.00 C ATOM 777 CG LEU A 90 -8.712 9.854 14.778 1.00 21.42 C ATOM 778 CD1 LEU A 90 -8.334 9.436 16.170 1.00 20.31 C ATOM 779 CD2 LEU A 90 -7.680 9.329 13.775 1.00 18.98 C ATOM 780 H LEU A 90 -12.568 8.580 14.252 1.00 0.00 H ATOM 781 N THR A 91 -11.004 11.860 16.572 1.00 24.63 N ATOM 782 CA THR A 91 -11.341 13.260 16.798 1.00 22.91 C ATOM 783 C THR A 91 -10.205 13.994 17.488 1.00 24.96 C ATOM 784 O THR A 91 -9.320 13.356 18.078 1.00 31.29 O ATOM 785 CB THR A 91 -12.597 13.411 17.691 1.00 23.68 C ATOM 786 OG1 THR A 91 -12.408 12.688 18.915 1.00 24.08 O ATOM 787 CG2 THR A 91 -13.808 12.886 17.009 1.00 22.89 C ATOM 788 HG1 THR A 91 -12.262 11.730 18.712 1.00 0.00 H ATOM 789 H THR A 91 -10.452 11.351 17.292 1.00 0.00 H ATOM 790 N THR A 92 -10.243 15.324 17.456 1.00 25.26 N ATOM 791 CA THR A 92 -9.451 16.118 18.405 1.00 29.45 C ATOM 792 C THR A 92 -10.317 17.142 19.130 1.00 29.09 C ATOM 793 O THR A 92 -11.293 17.627 18.561 1.00 35.11 O ATOM 794 CB THR A 92 -8.295 16.876 17.730 1.00 31.77 C ATOM 795 OG1 THR A 92 -8.805 17.634 16.625 1.00 29.82 O ATOM 796 CG2 THR A 92 -7.259 15.910 17.224 1.00 38.26 C ATOM 797 HG1 THR A 92 -9.479 18.281 16.953 1.00 0.00 H ATOM 798 H THR A 92 -10.839 15.806 16.753 1.00 0.00 H ATOM 799 N ASP A 93 -9.913 17.501 20.346 1.00 30.06 N ATOM 800 CA ASP A 93 -10.471 18.644 21.058 1.00 32.04 C ATOM 801 C ASP A 93 -9.414 19.747 21.060 1.00 58.62 C ATOM 802 O ASP A 93 -9.534 20.753 21.760 1.00 54.00 O ATOM 803 CB ASP A 93 -10.844 18.260 22.490 1.00 33.10 C ATOM 804 CG ASP A 93 -9.646 17.814 23.304 1.00 71.46 C ATOM 805 OD1 ASP A 93 -8.573 17.583 22.708 1.00 68.30 O ATOM 806 OD2 ASP A 93 -9.777 17.695 24.540 1.00 75.81 O ATOM 807 H ASP A 93 -9.167 16.942 20.808 1.00 0.00 H ATOM 808 N GLU A 94 -8.378 19.526 20.257 1.00 61.19 N ATOM 809 CA GLU A 94 -7.225 20.424 20.118 1.00 67.65 C ATOM 810 C GLU A 94 -6.303 20.324 21.343 1.00 68.94 C ATOM 811 O GLU A 94 -5.210 20.898 21.372 1.00 69.23 O ATOM 812 CB GLU A 94 -7.653 21.872 19.874 1.00 72.40 C ATOM 813 CG GLU A 94 -8.127 22.125 18.438 1.00 79.05 C ATOM 814 CD GLU A 94 -8.574 23.564 18.207 1.00 89.69 C ATOM 815 OE1 GLU A 94 -9.053 24.205 19.168 1.00 89.60 O ATOM 816 OE2 GLU A 94 -8.442 24.058 17.063 1.00 98.32 O ATOM 817 H GLU A 94 -8.385 18.656 19.687 1.00 0.00 H ATOM 818 N LYS A 95 -6.749 19.577 22.344 1.00 66.91 N ATOM 819 CA LYS A 95 -5.916 19.222 23.478 1.00 64.04 C ATOM 820 C LYS A 95 -5.406 17.804 23.271 1.00 58.62 C ATOM 821 O LYS A 95 -4.360 17.423 23.787 1.00 66.54 O ATOM 822 CB LYS A 95 -6.708 19.324 24.784 1.00 65.94 C ATOM 823 CG LYS A 95 -7.582 20.577 24.872 1.00 70.58 C ATOM 824 CD LYS A 95 -8.665 20.456 25.946 1.00 70.34 C ATOM 825 CE LYS A 95 -8.070 20.196 27.316 1.00 76.25 C ATOM 826 NZ LYS A 95 -7.115 21.272 27.746 1.00 86.70 N ATOM 827 HZ1 LYS A 95 -6.332 21.332 27.064 1.00 0.00 H ATOM 828 HZ2 LYS A 95 -7.615 22.183 27.783 1.00 0.00 H ATOM 829 HZ3 LYS A 95 -6.739 21.044 28.688 1.00 0.00 H ATOM 830 H LYS A 95 -7.730 19.234 22.315 1.00 0.00 H ATOM 831 N GLN A 96 -6.149 17.022 22.497 1.00 49.12 N ATOM 832 CA GLN A 96 -5.849 15.608 22.391 1.00 41.68 C ATOM 833 C GLN A 96 -6.536 14.950 21.199 1.00 36.14 C ATOM 834 O GLN A 96 -7.679 15.243 20.891 1.00 42.30 O ATOM 835 CB GLN A 96 -6.254 14.922 23.683 1.00 48.62 C ATOM 836 CG GLN A 96 -5.845 13.477 23.801 1.00 53.75 C ATOM 837 CD GLN A 96 -6.432 12.849 25.043 1.00 59.75 C ATOM 838 OE1 GLN A 96 -5.819 12.857 26.106 1.00 65.02 O ATOM 839 NE2 GLN A 96 -7.645 12.326 24.922 1.00 63.19 N ATOM 840 HE22 GLN A 96 -8.128 12.341 24.001 1.00 0.00 H ATOM 841 HE21 GLN A 96 -8.113 11.901 25.748 1.00 0.00 H ATOM 842 H GLN A 96 -6.947 17.425 21.966 1.00 0.00 H ATOM 843 N ALA A 97 -5.816 14.076 20.509 1.00 27.96 N ATOM 844 CA ALA A 97 -6.410 13.285 19.448 1.00 29.28 C ATOM 845 C ALA A 97 -6.828 11.953 20.036 1.00 27.94 C ATOM 846 O ALA A 97 -6.060 11.342 20.786 1.00 31.18 O ATOM 847 CB ALA A 97 -5.424 13.088 18.293 1.00 25.13 C ATOM 848 H ALA A 97 -4.807 13.955 20.733 1.00 0.00 H ATOM 849 N ALA A 98 -8.031 11.507 19.715 1.00 24.52 N ATOM 850 CA ALA A 98 -8.546 10.267 20.290 1.00 27.00 C ATOM 851 C ALA A 98 -9.809 9.804 19.569 1.00 28.20 C ATOM 852 O ALA A 98 -10.446 10.597 18.873 1.00 29.63 O ATOM 853 CB ALA A 98 -8.836 10.452 21.787 1.00 25.98 C ATOM 854 H ALA A 98 -8.617 12.045 19.045 1.00 0.00 H ATOM 855 N TRP A 99 -10.158 8.527 19.717 1.00 22.61 N ATOM 856 CA TRP A 99 -11.473 8.042 19.292 1.00 40.73 C ATOM 857 C TRP A 99 -12.509 8.421 20.352 1.00 30.27 C ATOM 858 O TRP A 99 -12.339 8.104 21.515 1.00 38.07 O ATOM 859 CB TRP A 99 -11.461 6.528 19.063 1.00 21.26 C ATOM 860 CG TRP A 99 -10.901 6.172 17.746 1.00 36.25 C ATOM 861 CD1 TRP A 99 -11.594 5.971 16.579 1.00 34.95 C ATOM 862 CD2 TRP A 99 -9.523 6.000 17.429 1.00 41.82 C ATOM 863 NE1 TRP A 99 -10.729 5.674 15.559 1.00 29.88 N ATOM 864 CE2 TRP A 99 -9.449 5.690 16.049 1.00 36.56 C ATOM 865 CE3 TRP A 99 -8.337 6.080 18.174 1.00 47.96 C ATOM 866 CZ2 TRP A 99 -8.241 5.456 15.402 1.00 42.17 C ATOM 867 CZ3 TRP A 99 -7.133 5.848 17.527 1.00 52.09 C ATOM 868 CH2 TRP A 99 -7.097 5.536 16.154 1.00 52.43 C ATOM 869 HE1 TRP A 99 -10.999 5.470 14.576 1.00 0.00 H ATOM 870 H TRP A 99 -9.483 7.861 20.143 1.00 0.00 H ATOM 871 N ARG A 100 -13.561 9.124 19.956 1.00 27.20 N ATOM 872 CA ARG A 100 -14.586 9.588 20.890 1.00 24.22 C ATOM 873 C ARG A 100 -15.945 9.215 20.310 1.00 26.53 C ATOM 874 O ARG A 100 -16.158 9.342 19.098 1.00 26.94 O ATOM 875 CB ARG A 100 -14.488 11.110 21.121 1.00 25.25 C ATOM 876 CG ARG A 100 -13.209 11.588 21.841 1.00 34.13 C ATOM 877 CD ARG A 100 -13.086 13.135 21.981 1.00 27.46 C ATOM 878 NE ARG A 100 -11.706 13.609 21.746 1.00 33.61 N ATOM 879 CZ ARG A 100 -10.878 14.047 22.690 1.00 43.98 C ATOM 880 NH1 ARG A 100 -11.271 14.104 23.953 1.00 65.99 N ATOM 881 NH2 ARG A 100 -9.657 14.439 22.378 1.00 44.98 N ATOM 882 HE ARG A 100 -11.355 13.599 20.767 1.00 0.00 H ATOM 883 HH12 ARG A 100 -10.618 14.448 24.686 1.00 0.00 H ATOM 884 HH11 ARG A 100 -12.233 13.805 24.212 1.00 0.00 H ATOM 885 HH22 ARG A 100 -9.015 14.780 23.121 1.00 0.00 H ATOM 886 HH21 ARG A 100 -9.337 14.406 21.389 1.00 0.00 H ATOM 887 H ARG A 100 -13.661 9.353 18.947 1.00 0.00 H ATOM 888 N PHE A 101 -16.864 8.720 21.128 1.00 32.15 N ATOM 889 CA PHE A 101 -18.195 8.486 20.588 1.00 24.27 C ATOM 890 C PHE A 101 -18.778 9.847 20.270 1.00 32.13 C ATOM 891 O PHE A 101 -18.815 10.727 21.119 1.00 26.05 O ATOM 892 CB PHE A 101 -19.078 7.694 21.542 1.00 26.24 C ATOM 893 CG PHE A 101 -18.758 6.239 21.561 1.00 34.21 C ATOM 894 CD1 PHE A 101 -19.301 5.383 20.601 1.00 23.93 C ATOM 895 CD2 PHE A 101 -17.889 5.715 22.514 1.00 25.53 C ATOM 896 CE1 PHE A 101 -18.973 4.002 20.586 1.00 27.77 C ATOM 897 CE2 PHE A 101 -17.557 4.346 22.500 1.00 47.11 C ATOM 898 CZ PHE A 101 -18.104 3.487 21.530 1.00 24.40 C ATOM 899 H PHE A 101 -16.641 8.506 22.121 1.00 0.00 H ATOM 900 N ILE A 102 -19.165 10.040 19.012 1.00 27.37 N ATOM 901 CA ILE A 102 -19.744 11.307 18.609 1.00 29.86 C ATOM 902 C ILE A 102 -21.181 11.095 18.161 1.00 35.05 C ATOM 903 O ILE A 102 -21.592 9.974 17.808 1.00 25.64 O ATOM 904 CB ILE A 102 -18.930 11.988 17.498 1.00 24.85 C ATOM 905 CG1 ILE A 102 -18.892 11.117 16.247 1.00 23.15 C ATOM 906 CG2 ILE A 102 -17.511 12.310 17.996 1.00 23.98 C ATOM 907 CD1 ILE A 102 -18.637 11.916 15.008 1.00 24.61 C ATOM 908 H ILE A 102 -19.052 9.278 18.313 1.00 0.00 H ATOM 909 N ARG A 103 -21.934 12.186 18.199 1.00 26.05 N ATOM 910 CA ARG A 103 -23.369 12.163 17.983 1.00 45.63 C ATOM 911 C ARG A 103 -23.681 12.199 16.480 1.00 42.92 C ATOM 912 O ARG A 103 -23.132 13.014 15.725 1.00 41.88 O ATOM 913 CB ARG A 103 -24.007 13.344 18.737 1.00 52.95 C ATOM 914 CG ARG A 103 -25.514 13.363 18.844 1.00 59.46 C ATOM 915 CD ARG A 103 -26.012 14.810 18.844 1.00 75.08 C ATOM 916 NE ARG A 103 -25.168 15.661 17.995 1.00 84.09 N ATOM 917 CZ ARG A 103 -25.330 15.849 16.681 1.00 79.52 C ATOM 918 NH1 ARG A 103 -26.328 15.258 16.022 1.00 74.03 N ATOM 919 NH2 ARG A 103 -24.483 16.638 16.022 1.00 75.00 N ATOM 920 HE ARG A 103 -24.379 16.159 18.454 1.00 0.00 H ATOM 921 HH12 ARG A 103 -26.441 15.414 15.000 1.00 0.00 H ATOM 922 HH11 ARG A 103 -26.993 14.641 16.530 1.00 0.00 H ATOM 923 HH22 ARG A 103 -24.602 16.790 15.000 1.00 0.00 H ATOM 924 HH21 ARG A 103 -23.703 17.102 16.529 1.00 0.00 H ATOM 925 H ARG A 103 -21.476 13.099 18.392 1.00 0.00 H ATOM 926 N ILE A 104 -24.565 11.302 16.057 1.00 40.27 N ATOM 927 CA ILE A 104 -24.863 11.087 14.645 1.00 38.56 C ATOM 928 C ILE A 104 -26.370 11.049 14.358 1.00 36.61 C ATOM 929 O ILE A 104 -27.100 10.310 15.011 1.00 37.11 O ATOM 930 CB ILE A 104 -24.228 9.770 14.167 1.00 32.59 C ATOM 931 CG1 ILE A 104 -22.718 9.939 14.076 1.00 42.09 C ATOM 932 CG2 ILE A 104 -24.763 9.373 12.824 1.00 29.65 C ATOM 933 CD1 ILE A 104 -22.318 11.157 13.266 1.00 47.35 C ATOM 934 H ILE A 104 -25.067 10.727 16.764 1.00 0.00 H ATOM 935 N ASP A 105 -26.840 11.827 13.386 1.00 33.22 N ATOM 936 CA ASP A 105 -28.240 11.718 12.970 1.00 30.42 C ATOM 937 C ASP A 105 -28.496 10.326 12.430 1.00 28.14 C ATOM 938 O ASP A 105 -27.824 9.879 11.507 1.00 33.62 O ATOM 939 CB ASP A 105 -28.604 12.769 11.923 1.00 32.62 C ATOM 940 CG ASP A 105 -28.726 14.156 12.523 1.00 50.11 C ATOM 941 OD1 ASP A 105 -28.737 14.268 13.771 1.00 52.07 O ATOM 942 OD2 ASP A 105 -28.815 15.132 11.752 1.00 61.82 O ATOM 943 H ASP A 105 -26.212 12.513 12.921 1.00 0.00 H ATOM 944 N THR A 106 -29.465 9.634 13.020 1.00 29.94 N ATOM 945 CA THR A 106 -29.679 8.238 12.682 1.00 32.34 C ATOM 946 C THR A 106 -31.100 7.870 12.260 1.00 29.85 C ATOM 947 O THR A 106 -31.295 6.809 11.676 1.00 30.44 O ATOM 948 CB THR A 106 -29.271 7.335 13.848 1.00 36.73 C ATOM 949 OG1 THR A 106 -29.105 5.995 13.374 1.00 32.63 O ATOM 950 CG2 THR A 106 -30.298 7.376 14.974 1.00 42.02 C ATOM 951 HG1 THR A 106 -29.959 5.674 12.989 1.00 0.00 H ATOM 952 H THR A 106 -30.073 10.094 13.727 1.00 0.00 H ATOM 953 N ALA A 107 -32.082 8.731 12.517 1.00 31.44 N ATOM 954 CA ALA A 107 -33.457 8.420 12.114 1.00 33.09 C ATOM 955 C ALA A 107 -34.425 9.598 12.191 1.00 35.00 C ATOM 956 O ALA A 107 -34.139 10.636 12.787 1.00 49.90 O ATOM 957 CB ALA A 107 -33.996 7.261 12.951 1.00 33.38 C ATOM 958 H ALA A 107 -31.874 9.626 13.004 1.00 0.00 H ATOM 959 N CYS A 108 -35.584 9.415 11.571 1.00 36.62 N ATOM 960 CA CYS A 108 -36.656 10.386 11.630 1.00 38.80 C ATOM 961 C CYS A 108 -37.830 9.743 12.379 1.00 54.32 C ATOM 962 O CYS A 108 -38.340 8.717 11.941 1.00 51.39 O ATOM 963 CB CYS A 108 -37.050 10.827 10.219 1.00 39.97 C ATOM 964 SG CYS A 108 -38.432 11.983 10.144 1.00 67.54 S ATOM 965 H CYS A 108 -35.727 8.543 11.023 1.00 0.00 H ATOM 966 N VAL A 109 -38.241 10.314 13.515 1.00 41.15 N ATOM 967 CA VAL A 109 -39.282 9.689 14.326 1.00 42.55 C ATOM 968 C VAL A 109 -40.439 10.610 14.660 1.00 45.06 C ATOM 969 O VAL A 109 -40.290 11.831 14.701 1.00 45.61 O ATOM 970 CB VAL A 109 -38.721 9.148 15.650 1.00 49.76 C ATOM 971 CG1 VAL A 109 -37.561 8.201 15.387 1.00 39.26 C ATOM 972 CG2 VAL A 109 -38.302 10.283 16.553 1.00 47.88 C ATOM 973 H VAL A 109 -37.816 11.211 13.824 1.00 0.00 H ATOM 974 N CYS A 110 -41.597 10.007 14.910 1.00 46.77 N ATOM 975 CA CYS A 110 -42.806 10.770 15.170 1.00 49.45 C ATOM 976 C CYS A 110 -43.011 11.046 16.654 1.00 50.26 C ATOM 977 O CYS A 110 -42.981 10.136 17.480 1.00 49.90 O ATOM 978 CB CYS A 110 -44.026 10.044 14.613 1.00 51.29 C ATOM 979 SG CYS A 110 -45.569 10.994 14.722 1.00 54.92 S ATOM 980 H CYS A 110 -41.639 8.968 14.920 1.00 0.00 H ATOM 981 N VAL A 111 -43.238 12.318 16.963 1.00 52.97 N ATOM 982 CA VAL A 111 -43.458 12.792 18.320 1.00 52.80 C ATOM 983 C VAL A 111 -44.905 13.194 18.531 1.00 55.93 C ATOM 984 O VAL A 111 -45.441 13.953 17.745 1.00 57.35 O ATOM 985 CB VAL A 111 -42.564 13.985 18.623 1.00 52.26 C ATOM 986 CG1 VAL A 111 -43.004 14.664 19.897 1.00 58.18 C ATOM 987 CG2 VAL A 111 -41.141 13.526 18.729 1.00 49.42 C ATOM 988 H VAL A 111 -43.260 13.014 16.191 1.00 0.00 H ATOM 989 N LEU A 112 -45.529 12.688 19.592 1.00 57.19 N ATOM 990 CA LEU A 112 -46.942 12.975 19.868 1.00 68.47 C ATOM 991 C LEU A 112 -47.142 14.095 20.876 1.00 69.66 C ATOM 992 O LEU A 112 -46.265 14.384 21.686 1.00 61.14 O ATOM 993 CB LEU A 112 -47.663 11.720 20.374 1.00 61.19 C ATOM 994 CG LEU A 112 -47.872 10.647 19.305 1.00 62.74 C ATOM 995 CD1 LEU A 112 -48.460 9.367 19.876 1.00 61.31 C ATOM 996 CD2 LEU A 112 -48.747 11.202 18.199 1.00 62.28 C ATOM 997 H LEU A 112 -45.001 12.073 20.243 1.00 0.00 H ATOM 998 N SER A 113 -48.314 14.717 20.803 1.00 74.52 N ATOM 999 CA SER A 113 -48.752 15.750 21.742 1.00 73.72 C ATOM 1000 C SER A 113 -50.259 15.645 21.876 1.00 70.75 C ATOM 1001 O SER A 113 -50.965 15.959 20.926 1.00 78.09 O ATOM 1002 CB SER A 113 -48.365 17.155 21.254 1.00 71.70 C ATOM 1003 OG SER A 113 -46.959 17.342 21.208 1.00 71.84 O ATOM 1004 HG SER A 113 -46.559 16.681 20.588 1.00 0.00 H ATOM 1005 H SER A 113 -48.959 14.453 20.031 1.00 0.00 H ATOM 1006 N ARG A 114 -50.760 15.196 23.024 1.00 73.49 N ATOM 1007 CA ARG A 114 -52.216 15.123 23.216 1.00 80.31 C ATOM 1008 C ARG A 114 -52.820 16.507 23.390 1.00 78.36 C ATOM 1009 O ARG A 114 -52.102 17.473 23.631 1.00 77.90 O ATOM 1010 CB ARG A 114 -52.584 14.261 24.420 1.00 76.48 C ATOM 1011 CG ARG A 114 -54.044 13.861 24.424 1.00 84.50 C ATOM 1012 CD ARG A 114 -54.434 13.202 25.729 1.00 86.40 C ATOM 1013 NE ARG A 114 -53.407 12.278 26.209 1.00 81.82 N ATOM 1014 CZ ARG A 114 -53.468 10.956 26.087 1.00 81.17 C ATOM 1015 NH1 ARG A 114 -54.511 10.387 25.495 1.00 84.24 N ATOM 1016 NH2 ARG A 114 -52.485 10.200 26.561 1.00 75.54 N ATOM 1017 HE ARG A 114 -52.572 12.683 26.678 1.00 0.00 H ATOM 1018 HH12 ARG A 114 -54.555 9.352 25.401 1.00 0.00 H ATOM 1019 HH11 ARG A 114 -55.284 10.976 25.125 1.00 0.00 H ATOM 1020 HH22 ARG A 114 -52.532 9.165 26.466 1.00 0.00 H ATOM 1021 HH21 ARG A 114 -51.668 10.642 27.028 1.00 0.00 H ATOM 1022 H ARG A 114 -50.120 14.896 23.787 1.00 0.00 H TER 1023 ARG A 114 ATOM 1024 N GLU B 11 -45.277 15.869 25.580 1.00 72.59 N ATOM 1025 CA GLU B 11 -44.803 15.194 24.366 1.00 82.56 C ATOM 1026 C GLU B 11 -44.466 13.723 24.611 1.00 92.48 C ATOM 1027 O GLU B 11 -44.248 13.316 25.746 1.00104.89 O ATOM 1028 CB GLU B 11 -43.585 15.912 23.779 1.00 78.11 C ATOM 1029 CG GLU B 11 -43.946 16.998 22.779 1.00 80.52 C ATOM 1030 CD GLU B 11 -42.728 17.712 22.238 1.00 87.40 C ATOM 1031 OE1 GLU B 11 -41.598 17.286 22.570 1.00 93.26 O ATOM 1032 OE2 GLU B 11 -42.903 18.698 21.487 1.00 87.30 O ATOM 1033 HN3 GLU B 11 -44.538 15.826 26.310 1.00 0.00 H ATOM 1034 HN2 GLU B 11 -46.136 15.395 25.926 1.00 0.00 H ATOM 1035 HN1 GLU B 11 -45.492 16.863 25.361 1.00 0.00 H ATOM 1036 N PHE B 12 -44.381 12.940 23.537 1.00 87.26 N ATOM 1037 CA PHE B 12 -44.487 11.484 23.642 1.00 81.68 C ATOM 1038 C PHE B 12 -44.167 10.773 22.309 1.00 76.68 C ATOM 1039 O PHE B 12 -44.696 11.156 21.262 1.00 72.04 O ATOM 1040 CB PHE B 12 -45.912 11.141 24.098 1.00 81.42 C ATOM 1041 CG PHE B 12 -46.015 9.907 24.942 1.00 76.32 C ATOM 1042 CD1 PHE B 12 -44.873 9.253 25.402 1.00 77.53 C ATOM 1043 CD2 PHE B 12 -47.267 9.400 25.274 1.00 70.56 C ATOM 1044 CE1 PHE B 12 -44.979 8.110 26.180 1.00 75.07 C ATOM 1045 CE2 PHE B 12 -47.386 8.262 26.048 1.00 71.30 C ATOM 1046 CZ PHE B 12 -46.238 7.612 26.502 1.00 75.27 C ATOM 1047 H PHE B 12 -44.236 13.373 22.603 1.00 0.00 H ATOM 1048 N SER B 13 -43.324 9.739 22.343 1.00 74.42 N ATOM 1049 CA SER B 13 -42.969 9.002 21.123 1.00 51.13 C ATOM 1050 C SER B 13 -44.020 7.959 20.690 1.00 52.37 C ATOM 1051 O SER B 13 -44.721 7.390 21.519 1.00 54.04 O ATOM 1052 CB SER B 13 -41.622 8.307 21.300 1.00 48.64 C ATOM 1053 OG SER B 13 -41.170 7.794 20.052 1.00 77.08 O ATOM 1054 HG SER B 13 -41.830 7.142 19.706 1.00 0.00 H ATOM 1055 H SER B 13 -42.910 9.449 23.252 1.00 0.00 H ATOM 1056 N VAL B 14 -44.104 7.703 19.388 1.00 51.71 N ATOM 1057 CA VAL B 14 -45.050 6.737 18.830 1.00 52.97 C ATOM 1058 C VAL B 14 -44.676 5.283 19.138 1.00 52.12 C ATOM 1059 O VAL B 14 -45.534 4.428 19.344 1.00 53.81 O ATOM 1060 CB VAL B 14 -45.164 6.932 17.310 1.00 52.67 C ATOM 1061 CG1 VAL B 14 -45.723 5.718 16.662 1.00 60.52 C ATOM 1062 CG2 VAL B 14 -46.047 8.127 17.007 1.00 59.82 C ATOM 1063 H VAL B 14 -43.470 8.211 18.739 1.00 0.00 H ATOM 1064 N CYS B 15 -43.384 5.007 19.167 1.00 49.68 N ATOM 1065 CA CYS B 15 -42.886 3.696 19.560 1.00 48.93 C ATOM 1066 C CYS B 15 -41.901 3.875 20.720 1.00 57.01 C ATOM 1067 O CYS B 15 -41.191 4.883 20.782 1.00 59.74 O ATOM 1068 CB CYS B 15 -42.208 2.989 18.375 1.00 52.38 C ATOM 1069 SG CYS B 15 -43.259 2.701 16.916 1.00 48.47 S ATOM 1070 H CYS B 15 -42.703 5.747 18.902 1.00 0.00 H ATOM 1071 N ASP B 16 -41.840 2.918 21.639 1.00 48.55 N ATOM 1072 CA ASP B 16 -40.910 3.063 22.763 1.00 58.24 C ATOM 1073 C ASP B 16 -39.548 2.417 22.503 1.00 54.36 C ATOM 1074 O ASP B 16 -39.463 1.297 21.980 1.00 45.20 O ATOM 1075 CB ASP B 16 -41.527 2.495 24.039 1.00 62.25 C ATOM 1076 CG ASP B 16 -42.715 3.307 24.514 1.00 69.84 C ATOM 1077 OD1 ASP B 16 -42.732 4.531 24.248 1.00 67.11 O ATOM 1078 OD2 ASP B 16 -43.631 2.727 25.144 1.00 78.09 O ATOM 1079 H ASP B 16 -42.445 2.076 21.562 1.00 0.00 H ATOM 1080 N SER B 17 -38.492 3.146 22.867 1.00 47.79 N ATOM 1081 CA SER B 17 -37.108 2.712 22.643 1.00 42.04 C ATOM 1082 C SER B 17 -36.441 2.180 23.901 1.00 55.81 C ATOM 1083 O SER B 17 -36.775 2.579 25.020 1.00 51.39 O ATOM 1084 CB SER B 17 -36.255 3.864 22.111 1.00 40.28 C ATOM 1085 OG SER B 17 -36.555 4.151 20.763 1.00 79.91 O ATOM 1086 HG SER B 17 -35.986 4.899 20.452 1.00 0.00 H ATOM 1087 H SER B 17 -38.657 4.063 23.330 1.00 0.00 H ATOM 1088 N VAL B 18 -35.462 1.306 23.698 1.00 55.71 N ATOM 1089 CA VAL B 18 -34.584 0.848 24.760 1.00 41.33 C ATOM 1090 C VAL B 18 -33.140 0.930 24.258 1.00 42.99 C ATOM 1091 O VAL B 18 -32.845 0.547 23.128 1.00 37.50 O ATOM 1092 CB VAL B 18 -34.951 -0.576 25.195 1.00 42.82 C ATOM 1093 CG1 VAL B 18 -33.806 -1.241 25.836 1.00 53.84 C ATOM 1094 CG2 VAL B 18 -36.091 -0.534 26.171 1.00 52.72 C ATOM 1095 H VAL B 18 -35.318 0.934 22.738 1.00 0.00 H ATOM 1096 N SER B 19 -32.241 1.460 25.082 1.00 51.20 N ATOM 1097 CA SER B 19 -30.855 1.631 24.647 1.00 36.78 C ATOM 1098 C SER B 19 -29.843 0.856 25.492 1.00 37.06 C ATOM 1099 O SER B 19 -29.915 0.823 26.718 1.00 38.82 O ATOM 1100 CB SER B 19 -30.490 3.117 24.618 1.00 36.12 C ATOM 1101 OG SER B 19 -30.975 3.715 23.422 1.00 42.65 O ATOM 1102 HG SER B 19 -30.568 3.264 22.640 1.00 0.00 H ATOM 1103 H SER B 19 -32.524 1.754 26.039 1.00 0.00 H ATOM 1104 N VAL B 20 -28.895 0.236 24.798 1.00 35.48 N ATOM 1105 CA VAL B 20 -27.934 -0.672 25.396 1.00 35.78 C ATOM 1106 C VAL B 20 -26.522 -0.407 24.907 1.00 38.62 C ATOM 1107 O VAL B 20 -26.314 -0.136 23.725 1.00 38.51 O ATOM 1108 CB VAL B 20 -28.240 -2.134 25.050 1.00 46.03 C ATOM 1109 CG1 VAL B 20 -27.705 -3.027 26.133 1.00 47.51 C ATOM 1110 CG2 VAL B 20 -29.725 -2.355 24.849 1.00 49.86 C ATOM 1111 H VAL B 20 -28.839 0.410 23.774 1.00 0.00 H ATOM 1112 N TRP B 21 -25.547 -0.520 25.800 1.00 37.72 N ATOM 1113 CA TRP B 21 -24.150 -0.574 25.376 1.00 37.22 C ATOM 1114 C TRP B 21 -23.746 -2.025 25.218 1.00 37.20 C ATOM 1115 O TRP B 21 -23.804 -2.791 26.179 1.00 37.34 O ATOM 1116 CB TRP B 21 -23.241 0.119 26.381 1.00 39.90 C ATOM 1117 CG TRP B 21 -23.343 1.607 26.330 1.00 41.02 C ATOM 1118 CD1 TRP B 21 -24.068 2.410 27.159 1.00 46.70 C ATOM 1119 CD2 TRP B 21 -22.706 2.472 25.388 1.00 41.78 C ATOM 1120 NE1 TRP B 21 -23.918 3.726 26.797 1.00 47.31 N ATOM 1121 CE2 TRP B 21 -23.080 3.792 25.714 1.00 44.01 C ATOM 1122 CE3 TRP B 21 -21.851 2.259 24.300 1.00 38.01 C ATOM 1123 CZ2 TRP B 21 -22.629 4.895 24.997 1.00 38.64 C ATOM 1124 CZ3 TRP B 21 -21.397 3.355 23.591 1.00 41.94 C ATOM 1125 CH2 TRP B 21 -21.788 4.656 23.942 1.00 41.54 C ATOM 1126 HE1 TRP B 21 -24.366 4.538 27.267 1.00 0.00 H ATOM 1127 H TRP B 21 -25.780 -0.571 26.812 1.00 0.00 H ATOM 1128 N VAL B 22 -23.359 -2.403 24.002 1.00 31.69 N ATOM 1129 CA VAL B 22 -23.049 -3.792 23.702 1.00 32.25 C ATOM 1130 C VAL B 22 -21.549 -3.976 23.571 1.00 30.99 C ATOM 1131 O VAL B 22 -20.934 -3.486 22.618 1.00 39.29 O ATOM 1132 CB VAL B 22 -23.741 -4.271 22.406 1.00 31.29 C ATOM 1133 CG1 VAL B 22 -23.298 -5.690 22.063 1.00 31.41 C ATOM 1134 CG2 VAL B 22 -25.242 -4.211 22.548 1.00 32.13 C ATOM 1135 H VAL B 22 -23.276 -1.690 23.250 1.00 0.00 H ATOM 1136 N GLY B 23 -20.962 -4.688 24.528 1.00 39.14 N ATOM 1137 CA GLY B 23 -19.523 -4.900 24.550 1.00 42.69 C ATOM 1138 C GLY B 23 -19.100 -6.317 24.199 1.00 45.63 C ATOM 1139 O GLY B 23 -17.914 -6.637 24.194 1.00 48.67 O ATOM 1140 H GLY B 23 -21.547 -5.104 25.281 1.00 0.00 H ATOM 1141 N ASP B 24 -20.071 -7.170 23.905 1.00 33.43 N ATOM 1142 CA ASP B 24 -19.792 -8.582 23.684 1.00 47.40 C ATOM 1143 C ASP B 24 -20.413 -9.070 22.385 1.00 39.92 C ATOM 1144 O ASP B 24 -20.875 -10.207 22.308 1.00 42.98 O ATOM 1145 CB ASP B 24 -20.317 -9.421 24.850 1.00 37.27 C ATOM 1146 CG ASP B 24 -21.817 -9.242 25.067 1.00 58.30 C ATOM 1147 OD1 ASP B 24 -22.403 -8.341 24.417 1.00 55.11 O ATOM 1148 OD2 ASP B 24 -22.406 -9.983 25.896 1.00 61.81 O ATOM 1149 H ASP B 24 -21.049 -6.825 23.831 1.00 0.00 H ATOM 1150 N LYS B 25 -20.447 -8.211 21.374 1.00 31.43 N ATOM 1151 CA LYS B 25 -21.076 -8.587 20.116 1.00 30.76 C ATOM 1152 C LYS B 25 -20.293 -9.715 19.466 1.00 36.92 C ATOM 1153 O LYS B 25 -19.050 -9.703 19.488 1.00 31.84 O ATOM 1154 CB LYS B 25 -21.171 -7.388 19.171 1.00 28.69 C ATOM 1155 CG LYS B 25 -22.083 -7.647 17.992 1.00 28.42 C ATOM 1156 CD LYS B 25 -22.157 -6.459 17.042 1.00 26.68 C ATOM 1157 CE LYS B 25 -22.990 -5.340 17.633 1.00 34.63 C ATOM 1158 NZ LYS B 25 -24.414 -5.761 17.754 1.00 35.63 N ATOM 1159 HZ1 LYS B 25 -24.785 -5.999 16.812 1.00 0.00 H ATOM 1160 HZ2 LYS B 25 -24.476 -6.594 18.373 1.00 0.00 H ATOM 1161 HZ3 LYS B 25 -24.971 -4.983 18.161 1.00 0.00 H ATOM 1162 H LYS B 25 -20.023 -7.267 21.481 1.00 0.00 H ATOM 1163 N THR B 26 -20.979 -10.708 18.908 1.00 31.92 N ATOM 1164 CA THR B 26 -20.220 -11.684 18.131 1.00 39.59 C ATOM 1165 C THR B 26 -20.685 -11.798 16.685 1.00 41.77 C ATOM 1166 O THR B 26 -19.863 -11.900 15.783 1.00 51.26 O ATOM 1167 CB THR B 26 -20.235 -13.070 18.778 1.00 36.08 C ATOM 1168 OG1 THR B 26 -21.545 -13.364 19.278 1.00 39.75 O ATOM 1169 CG2 THR B 26 -19.215 -13.116 19.913 1.00 40.08 C ATOM 1170 HG1 THR B 26 -21.544 -14.262 19.694 1.00 0.00 H ATOM 1171 H THR B 26 -22.010 -10.786 19.020 1.00 0.00 H ATOM 1172 N THR B 27 -21.988 -11.759 16.463 1.00 34.08 N ATOM 1173 CA THR B 27 -22.528 -11.919 15.123 1.00 31.49 C ATOM 1174 C THR B 27 -23.062 -10.584 14.588 1.00 31.02 C ATOM 1175 O THR B 27 -23.459 -9.701 15.362 1.00 29.62 O ATOM 1176 CB THR B 27 -23.634 -12.972 15.123 1.00 44.76 C ATOM 1177 OG1 THR B 27 -23.282 -14.014 16.039 1.00 65.99 O ATOM 1178 CG2 THR B 27 -23.813 -13.573 13.750 1.00 38.01 C ATOM 1179 HG1 THR B 27 -23.995 -14.701 16.045 1.00 0.00 H ATOM 1180 H THR B 27 -22.638 -11.611 17.261 1.00 0.00 H ATOM 1181 N ALA B 28 -23.064 -10.443 13.266 1.00 29.17 N ATOM 1182 CA ALA B 28 -23.486 -9.210 12.612 1.00 27.90 C ATOM 1183 C ALA B 28 -23.664 -9.405 11.117 1.00 30.09 C ATOM 1184 O ALA B 28 -23.238 -10.413 10.551 1.00 30.35 O ATOM 1185 CB ALA B 28 -22.484 -8.109 12.866 1.00 26.17 C ATOM 1186 H ALA B 28 -22.753 -11.242 12.677 1.00 0.00 H ATOM 1187 N THR B 29 -24.289 -8.431 10.471 1.00 41.01 N ATOM 1188 CA THR B 29 -24.454 -8.448 9.023 1.00 35.75 C ATOM 1189 C THR B 29 -23.728 -7.259 8.454 1.00 25.81 C ATOM 1190 O THR B 29 -23.975 -6.125 8.877 1.00 25.08 O ATOM 1191 CB THR B 29 -25.923 -8.381 8.619 1.00 32.77 C ATOM 1192 OG1 THR B 29 -26.665 -9.326 9.392 1.00 35.51 O ATOM 1193 CG2 THR B 29 -26.093 -8.686 7.133 1.00 38.72 C ATOM 1194 HG1 THR B 29 -27.620 -9.286 9.133 1.00 0.00 H ATOM 1195 H THR B 29 -24.673 -7.631 11.013 1.00 0.00 H ATOM 1196 N ASP B 30 -22.826 -7.483 7.508 1.00 25.40 N ATOM 1197 CA ASP B 30 -22.110 -6.328 7.005 1.00 32.88 C ATOM 1198 C ASP B 30 -22.940 -5.621 5.955 1.00 26.77 C ATOM 1199 O ASP B 30 -24.071 -6.016 5.646 1.00 25.78 O ATOM 1200 CB ASP B 30 -20.722 -6.690 6.465 1.00 23.43 C ATOM 1201 CG ASP B 30 -20.763 -7.337 5.109 1.00 35.55 C ATOM 1202 OD1 ASP B 30 -21.818 -7.899 4.751 1.00 35.56 O ATOM 1203 OD2 ASP B 30 -19.718 -7.297 4.403 1.00 31.34 O ATOM 1204 H ASP B 30 -22.642 -8.440 7.145 1.00 0.00 H ATOM 1205 N ILE B 31 -22.372 -4.549 5.429 1.00 30.82 N ATOM 1206 CA ILE B 31 -23.081 -3.679 4.507 1.00 31.94 C ATOM 1207 C ILE B 31 -23.419 -4.396 3.214 1.00 28.17 C ATOM 1208 O ILE B 31 -24.331 -3.993 2.528 1.00 28.54 O ATOM 1209 CB ILE B 31 -22.263 -2.432 4.216 1.00 29.70 C ATOM 1210 CG1 ILE B 31 -23.095 -1.390 3.480 1.00 28.07 C ATOM 1211 CG2 ILE B 31 -20.963 -2.775 3.509 1.00 22.42 C ATOM 1212 CD1 ILE B 31 -22.428 -0.009 3.574 1.00 33.88 C ATOM 1213 H ILE B 31 -21.389 -4.322 5.683 1.00 0.00 H ATOM 1214 N LYS B 32 -22.713 -5.482 2.913 1.00 34.15 N ATOM 1215 CA LYS B 32 -22.988 -6.290 1.729 1.00 27.12 C ATOM 1216 C LYS B 32 -23.963 -7.446 1.977 1.00 35.49 C ATOM 1217 O LYS B 32 -24.133 -8.302 1.109 1.00 30.19 O ATOM 1218 CB LYS B 32 -21.683 -6.848 1.173 1.00 26.96 C ATOM 1219 CG LYS B 32 -20.796 -5.774 0.586 1.00 33.94 C ATOM 1220 CD LYS B 32 -19.403 -6.273 0.330 1.00 43.08 C ATOM 1221 CE LYS B 32 -18.581 -5.174 -0.319 1.00 58.51 C ATOM 1222 NZ LYS B 32 -19.151 -4.762 -1.655 1.00 67.55 N ATOM 1223 HZ1 LYS B 32 -19.162 -5.583 -2.294 1.00 0.00 H ATOM 1224 HZ2 LYS B 32 -20.121 -4.411 -1.523 1.00 0.00 H ATOM 1225 HZ3 LYS B 32 -18.561 -4.010 -2.065 1.00 0.00 H ATOM 1226 H LYS B 32 -21.937 -5.766 3.544 1.00 0.00 H ATOM 1227 N GLY B 33 -24.601 -7.472 3.147 1.00 28.56 N ATOM 1228 CA GLY B 33 -25.524 -8.540 3.474 1.00 30.19 C ATOM 1229 C GLY B 33 -24.872 -9.829 3.942 1.00 30.54 C ATOM 1230 O GLY B 33 -25.564 -10.768 4.309 1.00 32.02 O ATOM 1231 H GLY B 33 -24.433 -6.712 3.837 1.00 0.00 H ATOM 1232 N LYS B 34 -23.544 -9.889 3.914 1.00 37.38 N ATOM 1233 CA LYS B 34 -22.809 -11.055 4.410 1.00 39.02 C ATOM 1234 C LYS B 34 -22.912 -11.127 5.940 1.00 46.10 C ATOM 1235 O LYS B 34 -22.838 -10.095 6.614 1.00 51.59 O ATOM 1236 CB LYS B 34 -21.328 -10.988 4.000 1.00 34.56 C ATOM 1237 CG LYS B 34 -21.055 -10.705 2.524 1.00 49.83 C ATOM 1238 CD LYS B 34 -21.347 -11.907 1.643 1.00 60.37 C ATOM 1239 CE LYS B 34 -20.888 -11.671 0.214 1.00 63.27 C ATOM 1240 NZ LYS B 34 -21.131 -12.870 -0.660 1.00 71.19 N ATOM 1241 HZ1 LYS B 34 -20.609 -13.686 -0.281 1.00 0.00 H ATOM 1242 HZ2 LYS B 34 -22.148 -13.085 -0.676 1.00 0.00 H ATOM 1243 HZ3 LYS B 34 -20.803 -12.666 -1.626 1.00 0.00 H ATOM 1244 H LYS B 34 -23.011 -9.084 3.528 1.00 0.00 H ATOM 1245 N GLU B 35 -23.069 -12.334 6.489 1.00 46.43 N ATOM 1246 CA GLU B 35 -23.025 -12.530 7.945 1.00 41.03 C ATOM 1247 C GLU B 35 -21.586 -12.713 8.439 1.00 38.52 C ATOM 1248 O GLU B 35 -20.879 -13.637 8.016 1.00 40.75 O ATOM 1249 CB GLU B 35 -23.861 -13.731 8.364 1.00 46.47 C ATOM 1250 CG GLU B 35 -23.747 -14.055 9.847 1.00 64.14 C ATOM 1251 CD GLU B 35 -23.585 -15.550 10.119 1.00 81.06 C ATOM 1252 OE1 GLU B 35 -24.369 -16.343 9.554 1.00 87.99 O ATOM 1253 OE2 GLU B 35 -22.670 -15.933 10.891 1.00 84.87 O ATOM 1254 H GLU B 35 -23.226 -13.156 5.871 1.00 0.00 H ATOM 1255 N VAL B 36 -21.151 -11.826 9.330 1.00 30.59 N ATOM 1256 CA VAL B 36 -19.766 -11.833 9.768 1.00 29.90 C ATOM 1257 C VAL B 36 -19.647 -11.936 11.304 1.00 35.12 C ATOM 1258 O VAL B 36 -20.581 -11.620 12.052 1.00 29.56 O ATOM 1259 CB VAL B 36 -19.022 -10.572 9.255 1.00 39.04 C ATOM 1260 CG1 VAL B 36 -19.214 -10.413 7.760 1.00 34.51 C ATOM 1261 CG2 VAL B 36 -19.517 -9.322 9.958 1.00 39.52 C ATOM 1262 H VAL B 36 -21.809 -11.120 9.717 1.00 0.00 H ATOM 1263 N THR B 37 -18.498 -12.418 11.762 1.00 32.26 N ATOM 1264 CA THR B 37 -18.201 -12.488 13.183 1.00 34.84 C ATOM 1265 C THR B 37 -17.530 -11.200 13.638 1.00 27.17 C ATOM 1266 O THR B 37 -16.645 -10.683 12.969 1.00 25.92 O ATOM 1267 CB THR B 37 -17.285 -13.680 13.515 1.00 43.32 C ATOM 1268 OG1 THR B 37 -17.996 -14.902 13.294 1.00 47.53 O ATOM 1269 CG2 THR B 37 -16.803 -13.616 14.976 1.00 46.57 C ATOM 1270 HG1 THR B 37 -17.407 -15.668 13.508 1.00 0.00 H ATOM 1271 H THR B 37 -17.788 -12.756 11.082 1.00 0.00 H ATOM 1272 N VAL B 38 -17.960 -10.681 14.779 1.00 27.35 N ATOM 1273 CA VAL B 38 -17.349 -9.490 15.331 1.00 28.29 C ATOM 1274 C VAL B 38 -16.290 -9.925 16.323 1.00 26.96 C ATOM 1275 O VAL B 38 -16.495 -10.854 17.085 1.00 28.71 O ATOM 1276 CB VAL B 38 -18.387 -8.579 16.001 1.00 28.94 C ATOM 1277 CG1 VAL B 38 -17.728 -7.325 16.549 1.00 24.93 C ATOM 1278 CG2 VAL B 38 -19.480 -8.207 14.997 1.00 25.48 C ATOM 1279 H VAL B 38 -18.747 -11.135 15.285 1.00 0.00 H ATOM 1280 N LEU B 39 -15.125 -9.300 16.253 1.00 28.83 N ATOM 1281 CA LEU B 39 -14.072 -9.552 17.220 1.00 26.82 C ATOM 1282 C LEU B 39 -14.221 -8.495 18.310 1.00 30.05 C ATOM 1283 O LEU B 39 -13.699 -7.377 18.183 1.00 30.81 O ATOM 1284 CB LEU B 39 -12.696 -9.503 16.552 1.00 30.89 C ATOM 1285 CG LEU B 39 -12.467 -10.502 15.406 1.00 34.72 C ATOM 1286 CD1 LEU B 39 -11.204 -10.188 14.601 1.00 31.36 C ATOM 1287 CD2 LEU B 39 -12.414 -11.913 15.934 1.00 28.43 C ATOM 1288 H LEU B 39 -14.961 -8.614 15.489 1.00 0.00 H ATOM 1289 N ALA B 40 -14.983 -8.835 19.348 1.00 28.20 N ATOM 1290 CA ALA B 40 -15.322 -7.900 20.408 1.00 41.19 C ATOM 1291 C ALA B 40 -14.085 -7.465 21.176 1.00 46.42 C ATOM 1292 O ALA B 40 -14.000 -6.343 21.658 1.00 57.34 O ATOM 1293 CB ALA B 40 -16.325 -8.526 21.353 1.00 42.57 C ATOM 1294 H ALA B 40 -15.350 -9.807 19.402 1.00 0.00 H ATOM 1295 N GLU B 41 -13.117 -8.360 21.267 1.00 37.27 N ATOM 1296 CA GLU B 41 -11.994 -8.157 22.158 1.00 30.68 C ATOM 1297 C GLU B 41 -10.649 -8.515 21.509 1.00 30.32 C ATOM 1298 O GLU B 41 -10.429 -9.658 21.086 1.00 37.54 O ATOM 1299 CB GLU B 41 -12.226 -8.985 23.404 1.00 33.29 C ATOM 1300 CG GLU B 41 -11.356 -8.657 24.566 1.00 44.55 C ATOM 1301 CD GLU B 41 -11.506 -9.688 25.654 1.00 58.10 C ATOM 1302 OE1 GLU B 41 -10.539 -9.886 26.426 1.00 63.80 O ATOM 1303 OE2 GLU B 41 -12.597 -10.311 25.718 1.00 66.45 O ATOM 1304 H GLU B 41 -13.163 -9.224 20.690 1.00 0.00 H ATOM 1305 N VAL B 42 -9.746 -7.546 21.422 1.00 29.36 N ATOM 1306 CA VAL B 42 -8.434 -7.846 20.873 1.00 32.79 C ATOM 1307 C VAL B 42 -7.345 -7.612 21.906 1.00 44.95 C ATOM 1308 O VAL B 42 -7.345 -6.597 22.594 1.00 42.47 O ATOM 1309 CB VAL B 42 -8.137 -7.009 19.632 1.00 28.81 C ATOM 1310 CG1 VAL B 42 -6.812 -7.399 19.055 1.00 27.10 C ATOM 1311 CG2 VAL B 42 -9.223 -7.217 18.605 1.00 31.59 C ATOM 1312 H VAL B 42 -9.975 -6.583 21.743 1.00 0.00 H ATOM 1313 N ASN B 43 -6.422 -8.557 22.021 1.00 32.14 N ATOM 1314 CA ASN B 43 -5.347 -8.446 22.995 1.00 33.89 C ATOM 1315 C ASN B 43 -4.005 -8.290 22.303 1.00 43.89 C ATOM 1316 O ASN B 43 -3.571 -9.187 21.597 1.00 44.30 O ATOM 1317 CB ASN B 43 -5.340 -9.672 23.912 1.00 50.49 C ATOM 1318 CG ASN B 43 -4.238 -9.628 24.961 1.00 56.16 C ATOM 1319 OD1 ASN B 43 -3.238 -8.923 24.823 1.00 67.78 O ATOM 1320 ND2 ASN B 43 -4.415 -10.403 26.017 1.00 54.63 N ATOM 1321 HD22 ASN B 43 -5.274 -10.984 26.097 1.00 0.00 H ATOM 1322 HD21 ASN B 43 -3.696 -10.431 26.768 1.00 0.00 H ATOM 1323 H ASN B 43 -6.467 -9.393 21.404 1.00 0.00 H ATOM 1324 N ILE B 44 -3.351 -7.150 22.525 1.00 43.61 N ATOM 1325 CA ILE B 44 -2.020 -6.867 21.977 1.00 39.07 C ATOM 1326 C ILE B 44 -1.051 -6.454 23.070 1.00 40.52 C ATOM 1327 O ILE B 44 -1.337 -5.536 23.842 1.00 44.99 O ATOM 1328 CB ILE B 44 -2.053 -5.761 20.948 1.00 40.51 C ATOM 1329 CG1 ILE B 44 -2.902 -6.175 19.754 1.00 54.56 C ATOM 1330 CG2 ILE B 44 -0.642 -5.439 20.493 1.00 42.27 C ATOM 1331 CD1 ILE B 44 -2.846 -5.177 18.606 1.00 59.23 C ATOM 1332 H ILE B 44 -3.807 -6.426 23.116 1.00 0.00 H ATOM 1333 N ASN B 45 0.070 -7.131 23.124 1.00 49.51 N ATOM 1334 CA ASN B 45 0.908 -7.168 24.290 1.00 61.26 C ATOM 1335 C ASN B 45 -0.065 -7.390 25.407 1.00 63.61 C ATOM 1336 O ASN B 45 -0.918 -8.231 25.300 1.00 74.61 O ATOM 1337 CB ASN B 45 1.693 -5.900 24.467 1.00 69.56 C ATOM 1338 CG ASN B 45 3.163 -6.164 24.617 1.00 80.24 C ATOM 1339 OD1 ASN B 45 3.675 -7.160 24.132 1.00 87.03 O ATOM 1340 ND2 ASN B 45 3.849 -5.275 25.292 1.00 82.62 N ATOM 1341 HD22 ASN B 45 3.371 -4.441 25.688 1.00 0.00 H ATOM 1342 HD21 ASN B 45 4.871 -5.404 25.432 1.00 0.00 H ATOM 1343 H ASN B 45 0.367 -7.666 22.283 1.00 0.00 H ATOM 1344 N ASN B 46 0.034 -6.581 26.458 1.00 58.22 N ATOM 1345 CA ASN B 46 -0.896 -6.659 27.584 1.00 63.76 C ATOM 1346 C ASN B 46 -1.985 -5.580 27.552 1.00 62.66 C ATOM 1347 O ASN B 46 -2.553 -5.230 28.586 1.00 75.25 O ATOM 1348 CB ASN B 46 -0.136 -6.596 28.910 1.00 72.07 C ATOM 1349 CG ASN B 46 0.526 -7.913 29.265 1.00 89.52 C ATOM 1350 OD1 ASN B 46 -0.130 -8.953 29.329 1.00 97.76 O ATOM 1351 ND2 ASN B 46 1.833 -7.875 29.498 1.00 95.30 N ATOM 1352 HD22 ASN B 46 2.347 -6.973 29.432 1.00 0.00 H ATOM 1353 HD21 ASN B 46 2.343 -8.747 29.746 1.00 0.00 H ATOM 1354 H ASN B 46 0.795 -5.872 26.480 1.00 0.00 H ATOM 1355 N SER B 47 -2.269 -5.063 26.360 1.00 52.31 N ATOM 1356 CA SER B 47 -3.291 -4.060 26.168 1.00 55.15 C ATOM 1357 C SER B 47 -4.523 -4.708 25.532 1.00 54.34 C ATOM 1358 O SER B 47 -4.452 -5.196 24.405 1.00 54.66 O ATOM 1359 CB SER B 47 -2.746 -2.924 25.288 1.00 62.68 C ATOM 1360 OG SER B 47 -3.726 -1.928 25.028 1.00 76.47 O ATOM 1361 HG SER B 47 -4.031 -1.535 25.884 1.00 0.00 H ATOM 1362 H SER B 47 -1.734 -5.394 25.532 1.00 0.00 H ATOM 1363 N VAL B 48 -5.648 -4.710 26.246 1.00 47.94 N ATOM 1364 CA VAL B 48 -6.911 -5.209 25.689 1.00 42.23 C ATOM 1365 C VAL B 48 -7.767 -4.112 25.027 1.00 36.18 C ATOM 1366 O VAL B 48 -7.955 -3.041 25.593 1.00 48.82 O ATOM 1367 CB VAL B 48 -7.743 -5.908 26.779 1.00 41.49 C ATOM 1368 CG1 VAL B 48 -9.181 -6.130 26.320 1.00 40.12 C ATOM 1369 CG2 VAL B 48 -7.089 -7.230 27.165 1.00 44.46 C ATOM 1370 H VAL B 48 -5.631 -4.349 27.221 1.00 0.00 H ATOM 1371 N PHE B 49 -8.270 -4.390 23.825 1.00 35.49 N ATOM 1372 CA PHE B 49 -9.176 -3.496 23.092 1.00 38.33 C ATOM 1373 C PHE B 49 -10.578 -4.100 22.984 1.00 37.95 C ATOM 1374 O PHE B 49 -10.755 -5.115 22.332 1.00 40.53 O ATOM 1375 CB PHE B 49 -8.651 -3.224 21.683 1.00 39.85 C ATOM 1376 CG PHE B 49 -7.334 -2.500 21.648 1.00 50.55 C ATOM 1377 CD1 PHE B 49 -6.161 -3.129 22.055 1.00 57.26 C ATOM 1378 CD2 PHE B 49 -7.260 -1.192 21.185 1.00 52.51 C ATOM 1379 CE1 PHE B 49 -4.946 -2.464 22.017 1.00 54.68 C ATOM 1380 CE2 PHE B 49 -6.046 -0.522 21.146 1.00 52.72 C ATOM 1381 CZ PHE B 49 -4.889 -1.159 21.561 1.00 51.54 C ATOM 1382 H PHE B 49 -8.006 -5.292 23.380 1.00 0.00 H ATOM 1383 N ARG B 50 -11.553 -3.465 23.626 1.00 41.95 N ATOM 1384 CA ARG B 50 -12.929 -3.947 23.597 1.00 40.48 C ATOM 1385 C ARG B 50 -13.823 -3.017 22.785 1.00 42.72 C ATOM 1386 O ARG B 50 -14.016 -1.855 23.143 1.00 58.66 O ATOM 1387 CB ARG B 50 -13.476 -4.092 25.019 1.00 31.20 C ATOM 1388 CG ARG B 50 -14.866 -4.704 25.090 1.00 65.89 C ATOM 1389 CD ARG B 50 -15.366 -4.773 26.524 1.00 64.99 C ATOM 1390 NE ARG B 50 -14.561 -5.677 27.340 1.00 68.41 N ATOM 1391 CZ ARG B 50 -14.740 -6.992 27.397 1.00 82.09 C ATOM 1392 NH1 ARG B 50 -15.701 -7.564 26.684 1.00 78.73 N ATOM 1393 NH2 ARG B 50 -13.960 -7.738 28.168 1.00 95.83 N ATOM 1394 HE ARG B 50 -13.798 -5.265 27.914 1.00 0.00 H ATOM 1395 HH12 ARG B 50 -15.840 -8.594 26.730 1.00 0.00 H ATOM 1396 HH11 ARG B 50 -16.316 -6.983 26.079 1.00 0.00 H ATOM 1397 HH22 ARG B 50 -14.102 -8.767 28.211 1.00 0.00 H ATOM 1398 HH21 ARG B 50 -13.206 -7.294 28.730 1.00 0.00 H ATOM 1399 H ARG B 50 -11.329 -2.603 24.163 1.00 0.00 H ATOM 1400 N GLN B 51 -14.367 -3.535 21.688 1.00 26.26 N ATOM 1401 CA GLN B 51 -15.243 -2.753 20.824 1.00 24.88 C ATOM 1402 C GLN B 51 -16.580 -2.474 21.504 1.00 25.75 C ATOM 1403 O GLN B 51 -17.283 -3.398 21.914 1.00 26.95 O ATOM 1404 CB GLN B 51 -15.470 -3.475 19.495 1.00 38.01 C ATOM 1405 CG GLN B 51 -14.326 -3.327 18.505 1.00 32.82 C ATOM 1406 CD GLN B 51 -14.609 -4.008 17.181 1.00 30.04 C ATOM 1407 OE1 GLN B 51 -15.075 -3.377 16.232 1.00 24.42 O ATOM 1408 NE2 GLN B 51 -14.328 -5.304 17.110 1.00 33.50 N ATOM 1409 HE22 GLN B 51 -13.935 -5.797 17.937 1.00 0.00 H ATOM 1410 HE21 GLN B 51 -14.501 -5.826 16.227 1.00 0.00 H ATOM 1411 H GLN B 51 -14.162 -4.524 21.440 1.00 0.00 H ATOM 1412 N TYR B 52 -16.925 -1.196 21.619 1.00 52.62 N ATOM 1413 CA TYR B 52 -18.175 -0.794 22.252 1.00 40.01 C ATOM 1414 C TYR B 52 -19.149 -0.213 21.233 1.00 30.13 C ATOM 1415 O TYR B 52 -18.772 0.609 20.397 1.00 30.50 O ATOM 1416 CB TYR B 52 -17.910 0.222 23.365 1.00 39.14 C ATOM 1417 CG TYR B 52 -17.235 -0.365 24.583 1.00 44.63 C ATOM 1418 CD1 TYR B 52 -17.965 -1.061 25.538 1.00 52.93 C ATOM 1419 CD2 TYR B 52 -15.868 -0.224 24.779 1.00 44.25 C ATOM 1420 CE1 TYR B 52 -17.352 -1.599 26.653 1.00 53.57 C ATOM 1421 CE2 TYR B 52 -15.246 -0.759 25.891 1.00 46.18 C ATOM 1422 CZ TYR B 52 -15.992 -1.446 26.825 1.00 53.76 C ATOM 1423 OH TYR B 52 -15.378 -1.980 27.934 1.00 64.92 O ATOM 1424 HH TYR B 52 -14.950 -1.255 28.454 1.00 0.00 H ATOM 1425 H TYR B 52 -16.287 -0.464 21.248 1.00 0.00 H ATOM 1426 N PHE B 53 -20.404 -0.645 21.308 1.00 31.01 N ATOM 1427 CA PHE B 53 -21.436 -0.166 20.396 1.00 34.01 C ATOM 1428 C PHE B 53 -22.663 0.318 21.161 1.00 32.49 C ATOM 1429 O PHE B 53 -23.043 -0.265 22.177 1.00 42.63 O ATOM 1430 CB PHE B 53 -21.832 -1.265 19.409 1.00 34.07 C ATOM 1431 CG PHE B 53 -20.717 -1.691 18.497 1.00 34.50 C ATOM 1432 CD1 PHE B 53 -20.246 -0.840 17.511 1.00 38.14 C ATOM 1433 CD2 PHE B 53 -20.139 -2.943 18.626 1.00 27.21 C ATOM 1434 CE1 PHE B 53 -19.220 -1.229 16.671 1.00 34.33 C ATOM 1435 CE2 PHE B 53 -19.113 -3.339 17.789 1.00 23.42 C ATOM 1436 CZ PHE B 53 -18.653 -2.480 16.810 1.00 37.63 C ATOM 1437 H PHE B 53 -20.656 -1.343 22.036 1.00 0.00 H ATOM 1438 N PHE B 54 -23.279 1.388 20.668 1.00 31.94 N ATOM 1439 CA PHE B 54 -24.464 1.954 21.308 1.00 27.54 C ATOM 1440 C PHE B 54 -25.676 1.592 20.481 1.00 33.81 C ATOM 1441 O PHE B 54 -25.821 2.081 19.365 1.00 27.84 O ATOM 1442 CB PHE B 54 -24.352 3.475 21.452 1.00 27.43 C ATOM 1443 CG PHE B 54 -25.498 4.084 22.188 1.00 36.79 C ATOM 1444 CD1 PHE B 54 -25.564 4.010 23.575 1.00 42.72 C ATOM 1445 CD2 PHE B 54 -26.533 4.706 21.509 1.00 38.33 C ATOM 1446 CE1 PHE B 54 -26.632 4.562 24.272 1.00 40.80 C ATOM 1447 CE2 PHE B 54 -27.603 5.256 22.202 1.00 30.74 C ATOM 1448 CZ PHE B 54 -27.652 5.180 23.578 1.00 42.24 C ATOM 1449 H PHE B 54 -22.908 1.833 19.805 1.00 0.00 H ATOM 1450 N GLU B 55 -26.536 0.728 21.006 1.00 29.08 N ATOM 1451 CA GLU B 55 -27.684 0.276 20.223 1.00 30.75 C ATOM 1452 C GLU B 55 -29.020 0.601 20.864 1.00 34.49 C ATOM 1453 O GLU B 55 -29.148 0.650 22.089 1.00 32.48 O ATOM 1454 CB GLU B 55 -27.608 -1.227 19.968 1.00 29.75 C ATOM 1455 CG GLU B 55 -26.513 -1.610 19.001 1.00 63.55 C ATOM 1456 CD GLU B 55 -26.618 -3.044 18.543 1.00 63.97 C ATOM 1457 OE1 GLU B 55 -27.401 -3.323 17.605 1.00 62.31 O ATOM 1458 OE2 GLU B 55 -25.912 -3.891 19.122 1.00 64.56 O ATOM 1459 H GLU B 55 -26.393 0.373 21.973 1.00 0.00 H ATOM 1460 N THR B 56 -30.010 0.805 20.004 1.00 31.39 N ATOM 1461 CA THR B 56 -31.348 1.154 20.406 1.00 33.07 C ATOM 1462 C THR B 56 -32.333 0.204 19.732 1.00 33.91 C ATOM 1463 O THR B 56 -32.352 0.106 18.520 1.00 33.19 O ATOM 1464 CB THR B 56 -31.681 2.619 20.030 1.00 46.64 C ATOM 1465 OG1 THR B 56 -30.796 3.510 20.715 1.00 46.32 O ATOM 1466 CG2 THR B 56 -33.127 2.977 20.389 1.00 42.60 C ATOM 1467 HG1 THR B 56 -30.901 3.391 21.692 1.00 0.00 H ATOM 1468 H THR B 56 -29.809 0.708 18.988 1.00 0.00 H ATOM 1469 N LYS B 57 -33.147 -0.488 20.519 1.00 35.75 N ATOM 1470 CA LYS B 57 -34.112 -1.430 19.979 1.00 36.90 C ATOM 1471 C LYS B 57 -35.511 -1.055 20.436 1.00 41.10 C ATOM 1472 O LYS B 57 -35.680 -0.198 21.297 1.00 43.06 O ATOM 1473 CB LYS B 57 -33.804 -2.866 20.416 1.00 54.91 C ATOM 1474 CG LYS B 57 -32.527 -3.454 19.855 1.00 69.73 C ATOM 1475 CD LYS B 57 -32.302 -4.875 20.370 1.00 85.19 C ATOM 1476 CE LYS B 57 -31.036 -5.486 19.795 1.00 87.51 C ATOM 1477 NZ LYS B 57 -30.819 -6.867 20.329 1.00 90.83 N ATOM 1478 HZ1 LYS B 57 -30.731 -6.827 21.365 1.00 0.00 H ATOM 1479 HZ2 LYS B 57 -31.628 -7.468 20.071 1.00 0.00 H ATOM 1480 HZ3 LYS B 57 -29.948 -7.262 19.921 1.00 0.00 H ATOM 1481 H LYS B 57 -33.093 -0.352 21.549 1.00 0.00 H ATOM 1482 N CYS B 58 -36.512 -1.707 19.854 1.00 45.88 N ATOM 1483 CA CYS B 58 -37.893 -1.533 20.264 1.00 42.40 C ATOM 1484 C CYS B 58 -38.106 -2.165 21.609 1.00 52.13 C ATOM 1485 O CYS B 58 -37.616 -3.260 21.857 1.00 56.87 O ATOM 1486 CB CYS B 58 -38.850 -2.154 19.254 1.00 43.45 C ATOM 1487 SG CYS B 58 -38.878 -1.277 17.708 1.00 99.19 S ATOM 1488 H CYS B 58 -36.298 -2.365 19.078 1.00 0.00 H ATOM 1489 N ARG B 59 -38.834 -1.473 22.477 1.00 53.73 N ATOM 1490 CA ARG B 59 -39.223 -2.042 23.750 1.00 54.89 C ATOM 1491 C ARG B 59 -40.366 -3.015 23.459 1.00 64.53 C ATOM 1492 O ARG B 59 -40.487 -4.057 24.096 1.00 71.31 O ATOM 1493 CB ARG B 59 -39.631 -0.946 24.746 1.00 50.73 C ATOM 1494 CG ARG B 59 -39.521 -1.360 26.224 1.00 55.63 C ATOM 1495 CD ARG B 59 -40.223 -0.383 27.182 1.00 54.02 C ATOM 1496 NE ARG B 59 -39.824 1.006 26.950 1.00 58.14 N ATOM 1497 CZ ARG B 59 -40.337 2.062 27.583 1.00 69.55 C ATOM 1498 NH1 ARG B 59 -41.282 1.910 28.516 1.00 72.29 N ATOM 1499 NH2 ARG B 59 -39.899 3.281 27.283 1.00 69.91 N ATOM 1500 HE ARG B 59 -39.086 1.183 26.239 1.00 0.00 H ATOM 1501 HH12 ARG B 59 -41.673 2.743 29.001 1.00 0.00 H ATOM 1502 HH11 ARG B 59 -41.627 0.959 28.757 1.00 0.00 H ATOM 1503 HH22 ARG B 59 -40.293 4.110 27.772 1.00 0.00 H ATOM 1504 HH21 ARG B 59 -39.162 3.405 26.560 1.00 0.00 H ATOM 1505 H ARG B 59 -39.130 -0.505 22.238 1.00 0.00 H ATOM 1506 N ALA B 60 -41.181 -2.676 22.464 1.00 68.38 N ATOM 1507 CA ALA B 60 -42.277 -3.539 22.015 1.00 67.95 C ATOM 1508 C ALA B 60 -42.618 -3.245 20.562 1.00 66.59 C ATOM 1509 O ALA B 60 -42.422 -2.124 20.087 1.00 68.30 O ATOM 1510 CB ALA B 60 -43.516 -3.352 22.890 1.00 64.28 C ATOM 1511 H ALA B 60 -41.035 -1.764 21.986 1.00 0.00 H ATOM 1512 N SER B 61 -43.127 -4.254 19.864 1.00 65.09 N ATOM 1513 CA SER B 61 -43.618 -4.079 18.504 1.00 68.31 C ATOM 1514 C SER B 61 -45.054 -3.556 18.545 1.00 73.56 C ATOM 1515 O SER B 61 -45.548 -2.960 17.585 1.00 76.39 O ATOM 1516 CB SER B 61 -43.538 -5.397 17.729 1.00 72.52 C ATOM 1517 OG SER B 61 -44.159 -6.453 18.446 1.00 78.57 O ATOM 1518 HG SER B 61 -43.704 -6.571 19.318 1.00 0.00 H ATOM 1519 H SER B 61 -43.176 -5.196 20.301 1.00 0.00 H ATOM 1520 N ASN B 62 -45.715 -3.787 19.675 1.00 76.53 N ATOM 1521 CA ASN B 62 -47.059 -3.271 19.915 1.00 79.61 C ATOM 1522 C ASN B 62 -47.144 -2.578 21.273 1.00 78.08 C ATOM 1523 O ASN B 62 -47.492 -3.215 22.269 1.00 82.78 O ATOM 1524 CB ASN B 62 -48.103 -4.401 19.837 1.00 84.74 C ATOM 1525 CG ASN B 62 -48.392 -4.848 18.402 1.00 89.89 C ATOM 1526 OD1 ASN B 62 -49.344 -4.380 17.766 1.00 95.25 O ATOM 1527 ND2 ASN B 62 -47.572 -5.763 17.891 1.00 87.77 N ATOM 1528 HD22 ASN B 62 -46.783 -6.130 18.460 1.00 0.00 H ATOM 1529 HD21 ASN B 62 -47.720 -6.111 16.922 1.00 0.00 H ATOM 1530 H ASN B 62 -45.258 -4.356 20.415 1.00 0.00 H ATOM 1531 N PRO B 63 -46.783 -1.283 21.328 1.00 75.52 N ATOM 1532 CA PRO B 63 -47.019 -0.494 22.547 1.00 77.53 C ATOM 1533 C PRO B 63 -48.495 -0.512 22.951 1.00 84.42 C ATOM 1534 O PRO B 63 -48.822 -0.839 24.094 1.00 94.59 O ATOM 1535 CB PRO B 63 -46.561 0.925 22.156 1.00 73.21 C ATOM 1536 CG PRO B 63 -46.281 0.880 20.659 1.00 72.08 C ATOM 1537 CD PRO B 63 -45.955 -0.551 20.355 1.00 72.18 C ATOM 1538 N VAL B 64 -49.370 -0.164 22.010 1.00 80.23 N ATOM 1539 CA VAL B 64 -50.809 -0.329 22.185 1.00 77.71 C ATOM 1540 C VAL B 64 -51.286 -1.503 21.326 1.00 78.14 C ATOM 1541 O VAL B 64 -50.607 -1.900 20.369 1.00 74.37 O ATOM 1542 CB VAL B 64 -51.581 0.954 21.812 1.00 68.43 C ATOM 1543 CG1 VAL B 64 -50.837 2.170 22.316 1.00 67.55 C ATOM 1544 CG2 VAL B 64 -51.790 1.052 20.311 1.00 67.98 C ATOM 1545 H VAL B 64 -49.016 0.239 21.119 1.00 0.00 H ATOM 1546 N GLU B 65 -52.441 -2.065 21.675 1.00 83.74 N ATOM 1547 CA GLU B 65 -52.977 -3.228 20.971 1.00 86.56 C ATOM 1548 C GLU B 65 -53.100 -2.962 19.469 1.00 84.68 C ATOM 1549 O GLU B 65 -52.774 -3.832 18.652 1.00 85.83 O ATOM 1550 CB GLU B 65 -54.333 -3.632 21.558 1.00 91.80 C ATOM 1551 CG GLU B 65 -54.239 -4.440 22.851 1.00 95.33 C ATOM 1552 CD GLU B 65 -54.720 -5.881 22.692 1.00102.56 C ATOM 1553 OE1 GLU B 65 -54.979 -6.310 21.545 1.00102.68 O ATOM 1554 OE2 GLU B 65 -54.843 -6.585 23.719 1.00107.66 O ATOM 1555 H GLU B 65 -52.977 -1.665 22.471 1.00 0.00 H ATOM 1556 N SER B 66 -53.546 -1.755 19.118 1.00 80.10 N ATOM 1557 CA SER B 66 -53.637 -1.326 17.721 1.00 78.34 C ATOM 1558 C SER B 66 -52.297 -1.503 16.996 1.00 73.10 C ATOM 1559 O SER B 66 -52.251 -1.890 15.826 1.00 69.68 O ATOM 1560 CB SER B 66 -54.083 0.138 17.640 1.00 77.89 C ATOM 1561 OG SER B 66 -54.986 0.468 18.682 1.00 80.90 O ATOM 1562 HG SER B 66 -55.252 1.418 18.598 1.00 0.00 H ATOM 1563 H SER B 66 -53.840 -1.094 19.865 1.00 0.00 H ATOM 1564 N GLY B 67 -51.213 -1.223 17.712 1.00 66.25 N ATOM 1565 CA GLY B 67 -49.882 -1.276 17.150 1.00 64.55 C ATOM 1566 C GLY B 67 -49.048 -0.134 17.695 1.00 64.97 C ATOM 1567 O GLY B 67 -48.611 -0.161 18.843 1.00 60.50 O ATOM 1568 H GLY B 67 -51.326 -0.957 18.711 1.00 0.00 H ATOM 1569 N CYS B 68 -48.825 0.879 16.866 1.00 65.97 N ATOM 1570 CA CYS B 68 -48.099 2.059 17.299 1.00 58.32 C ATOM 1571 C CYS B 68 -49.035 2.965 18.055 1.00 60.50 C ATOM 1572 O CYS B 68 -50.239 2.998 17.798 1.00 69.44 O ATOM 1573 CB CYS B 68 -47.500 2.806 16.111 1.00 56.68 C ATOM 1574 SG CYS B 68 -46.439 1.810 15.064 1.00 54.38 S ATOM 1575 H CYS B 68 -49.177 0.826 15.889 1.00 0.00 H ATOM 1576 N ARG B 69 -48.481 3.711 18.987 1.00 59.65 N ATOM 1577 CA ARG B 69 -49.278 4.639 19.755 1.00 61.75 C ATOM 1578 C ARG B 69 -49.593 5.876 18.914 1.00 62.22 C ATOM 1579 O ARG B 69 -48.727 6.375 18.197 1.00 60.17 O ATOM 1580 CB ARG B 69 -48.538 4.998 21.042 1.00 60.91 C ATOM 1581 CG ARG B 69 -49.154 6.080 21.866 1.00 62.89 C ATOM 1582 CD ARG B 69 -48.558 6.079 23.256 1.00 62.66 C ATOM 1583 NE ARG B 69 -47.105 6.040 23.222 1.00 62.73 N ATOM 1584 CZ ARG B 69 -46.374 5.053 23.721 1.00 63.05 C ATOM 1585 NH1 ARG B 69 -46.958 4.020 24.309 1.00 60.21 N ATOM 1586 NH2 ARG B 69 -45.057 5.108 23.633 1.00 63.72 N ATOM 1587 HE ARG B 69 -46.607 6.838 22.778 1.00 0.00 H ATOM 1588 HH12 ARG B 69 -46.380 3.248 24.699 1.00 0.00 H ATOM 1589 HH11 ARG B 69 -47.995 3.980 24.381 1.00 0.00 H ATOM 1590 HH22 ARG B 69 -44.477 4.337 24.022 1.00 0.00 H ATOM 1591 HH21 ARG B 69 -44.600 5.922 23.174 1.00 0.00 H ATOM 1592 H ARG B 69 -47.461 3.632 19.172 1.00 0.00 H ATOM 1593 N GLY B 70 -50.843 6.341 18.984 1.00 65.14 N ATOM 1594 CA GLY B 70 -51.278 7.552 18.299 1.00 66.23 C ATOM 1595 C GLY B 70 -51.862 7.379 16.898 1.00 78.60 C ATOM 1596 O GLY B 70 -52.409 8.328 16.329 1.00 68.78 O ATOM 1597 H GLY B 70 -51.537 5.816 19.553 1.00 0.00 H ATOM 1598 N ILE B 71 -51.748 6.172 16.346 1.00 75.62 N ATOM 1599 CA ILE B 71 -52.144 5.886 14.965 1.00 67.31 C ATOM 1600 C ILE B 71 -53.654 5.888 14.747 1.00 75.70 C ATOM 1601 O ILE B 71 -54.411 5.401 15.587 1.00 74.76 O ATOM 1602 CB ILE B 71 -51.588 4.520 14.511 1.00 65.77 C ATOM 1603 CG1 ILE B 71 -50.061 4.575 14.411 1.00 62.21 C ATOM 1604 CG2 ILE B 71 -52.199 4.079 13.181 1.00 67.31 C ATOM 1605 CD1 ILE B 71 -49.532 5.698 13.548 1.00 61.22 C ATOM 1606 H ILE B 71 -51.360 5.398 16.922 1.00 0.00 H ATOM 1607 N ASP B 72 -54.082 6.451 13.616 1.00 81.23 N ATOM 1608 CA ASP B 72 -55.470 6.359 13.167 1.00 85.01 C ATOM 1609 C ASP B 72 -55.833 4.920 12.809 1.00 76.73 C ATOM 1610 O ASP B 72 -55.786 4.517 11.641 1.00 76.88 O ATOM 1611 CB ASP B 72 -55.710 7.268 11.969 1.00 77.24 C ATOM 1612 CG ASP B 72 -57.169 7.392 11.633 1.00 91.63 C ATOM 1613 OD1 ASP B 72 -57.666 6.537 10.876 1.00 94.85 O ATOM 1614 OD2 ASP B 72 -57.823 8.331 12.141 1.00 92.58 O ATOM 1615 H ASP B 72 -53.401 6.976 13.031 1.00 0.00 H ATOM 1616 N SER B 73 -56.204 4.166 13.840 1.00 77.43 N ATOM 1617 CA SER B 73 -56.353 2.718 13.771 1.00 81.73 C ATOM 1618 C SER B 73 -57.454 2.264 12.813 1.00 90.82 C ATOM 1619 O SER B 73 -57.424 1.131 12.321 1.00 92.65 O ATOM 1620 CB SER B 73 -56.617 2.167 15.176 1.00 83.59 C ATOM 1621 OG SER B 73 -56.585 0.752 15.188 1.00 86.36 O ATOM 1622 HG SER B 73 -57.280 0.402 14.576 1.00 0.00 H ATOM 1623 H SER B 73 -56.399 4.636 14.747 1.00 0.00 H ATOM 1624 N LYS B 74 -58.426 3.142 12.562 1.00 93.18 N ATOM 1625 CA LYS B 74 -59.453 2.890 11.556 1.00 92.47 C ATOM 1626 C LYS B 74 -58.827 2.497 10.224 1.00 90.52 C ATOM 1627 O LYS B 74 -58.844 1.335 9.811 1.00 91.48 O ATOM 1628 CB LYS B 74 -60.318 4.131 11.357 1.00 96.15 C ATOM 1629 CG LYS B 74 -60.744 4.801 12.638 1.00102.69 C ATOM 1630 CD LYS B 74 -60.326 6.265 12.658 1.00104.11 C ATOM 1631 CE LYS B 74 -61.002 7.071 11.552 1.00106.10 C ATOM 1632 NZ LYS B 74 -60.648 8.523 11.627 1.00103.18 N ATOM 1633 HZ1 LYS B 74 -60.953 8.906 12.544 1.00 0.00 H ATOM 1634 HZ2 LYS B 74 -59.618 8.633 11.529 1.00 0.00 H ATOM 1635 HZ3 LYS B 74 -61.127 9.035 10.859 1.00 0.00 H ATOM 1636 H LYS B 74 -58.453 4.032 13.099 1.00 0.00 H ATOM 1637 N HIS B 75 -58.256 3.496 9.570 1.00 87.59 N ATOM 1638 CA HIS B 75 -57.670 3.340 8.254 1.00 87.05 C ATOM 1639 C HIS B 75 -56.388 2.506 8.295 1.00 87.10 C ATOM 1640 O HIS B 75 -56.075 1.791 7.341 1.00 92.65 O ATOM 1641 CB HIS B 75 -57.385 4.721 7.646 1.00 86.01 C ATOM 1642 CG HIS B 75 -58.617 5.529 7.351 1.00 94.35 C ATOM 1643 ND1 HIS B 75 -59.270 6.286 8.307 1.00 96.98 N ATOM 1644 CD2 HIS B 75 -59.309 5.711 6.201 1.00101.19 C ATOM 1645 CE1 HIS B 75 -60.310 6.886 7.760 1.00102.41 C ATOM 1646 NE2 HIS B 75 -60.358 6.555 6.480 1.00106.27 N ATOM 1647 H HIS B 75 -58.227 4.433 10.020 1.00 0.00 H ATOM 1648 N TRP B 76 -55.664 2.573 9.410 1.00 79.29 N ATOM 1649 CA TRP B 76 -54.283 2.098 9.435 1.00 74.17 C ATOM 1650 C TRP B 76 -53.956 0.890 10.294 1.00 73.17 C ATOM 1651 O TRP B 76 -54.362 0.793 11.447 1.00 73.31 O ATOM 1652 CB TRP B 76 -53.383 3.239 9.881 1.00 74.21 C ATOM 1653 CG TRP B 76 -53.315 4.286 8.867 1.00 75.30 C ATOM 1654 CD1 TRP B 76 -53.863 5.534 8.927 1.00 76.10 C ATOM 1655 CD2 TRP B 76 -52.692 4.176 7.591 1.00 73.65 C ATOM 1656 NE1 TRP B 76 -53.596 6.218 7.767 1.00 73.48 N ATOM 1657 CE2 TRP B 76 -52.877 5.403 6.930 1.00 73.25 C ATOM 1658 CE3 TRP B 76 -51.990 3.157 6.943 1.00 71.89 C ATOM 1659 CZ2 TRP B 76 -52.378 5.641 5.654 1.00 71.80 C ATOM 1660 CZ3 TRP B 76 -51.497 3.395 5.679 1.00 72.72 C ATOM 1661 CH2 TRP B 76 -51.694 4.626 5.046 1.00 72.31 C ATOM 1662 HE1 TRP B 76 -53.890 7.193 7.557 1.00 0.00 H ATOM 1663 H TRP B 76 -56.087 2.968 10.274 1.00 0.00 H ATOM 1664 N ASN B 77 -53.195 -0.024 9.710 1.00 71.14 N ATOM 1665 CA ASN B 77 -52.500 -1.037 10.483 1.00 69.37 C ATOM 1666 C ASN B 77 -51.077 -0.563 10.717 1.00 70.08 C ATOM 1667 O ASN B 77 -50.502 0.128 9.872 1.00 64.42 O ATOM 1668 CB ASN B 77 -52.505 -2.384 9.766 1.00 70.17 C ATOM 1669 CG ASN B 77 -53.675 -3.247 10.165 1.00 88.33 C ATOM 1670 OD1 ASN B 77 -53.882 -3.524 11.349 1.00 88.20 O ATOM 1671 ND2 ASN B 77 -54.460 -3.671 9.181 1.00 89.29 N ATOM 1672 HD22 ASN B 77 -54.246 -3.412 8.197 1.00 0.00 H ATOM 1673 HD21 ASN B 77 -55.289 -4.262 9.395 1.00 0.00 H ATOM 1674 H ASN B 77 -53.093 -0.015 8.675 1.00 0.00 H ATOM 1675 N SER B 78 -50.503 -0.923 11.858 1.00 64.12 N ATOM 1676 CA SER B 78 -49.162 -0.464 12.166 1.00 60.82 C ATOM 1677 C SER B 78 -48.465 -1.337 13.189 1.00 66.07 C ATOM 1678 O SER B 78 -49.117 -2.014 13.986 1.00 66.43 O ATOM 1679 CB SER B 78 -49.195 0.985 12.665 1.00 60.48 C ATOM 1680 OG SER B 78 -49.697 1.062 13.983 1.00 61.51 O ATOM 1681 HG SER B 78 -49.706 2.007 14.277 1.00 0.00 H ATOM 1682 H SER B 78 -51.013 -1.532 12.529 1.00 0.00 H ATOM 1683 N TYR B 79 -47.130 -1.310 13.146 1.00 65.17 N ATOM 1684 CA TYR B 79 -46.287 -1.930 14.165 1.00 55.03 C ATOM 1685 C TYR B 79 -44.974 -1.169 14.313 1.00 57.02 C ATOM 1686 O TYR B 79 -44.631 -0.319 13.485 1.00 54.96 O ATOM 1687 CB TYR B 79 -46.011 -3.401 13.834 1.00 60.55 C ATOM 1688 CG TYR B 79 -45.242 -3.637 12.547 1.00 53.71 C ATOM 1689 CD1 TYR B 79 -45.903 -3.752 11.332 1.00 66.49 C ATOM 1690 CD2 TYR B 79 -43.860 -3.770 12.552 1.00 51.04 C ATOM 1691 CE1 TYR B 79 -45.213 -3.975 10.152 1.00 64.05 C ATOM 1692 CE2 TYR B 79 -43.157 -3.995 11.376 1.00 61.43 C ATOM 1693 CZ TYR B 79 -43.839 -4.097 10.176 1.00 64.48 C ATOM 1694 OH TYR B 79 -43.147 -4.318 8.996 1.00 65.82 O ATOM 1695 HH TYR B 79 -43.788 -4.363 8.243 1.00 0.00 H ATOM 1696 H TYR B 79 -46.669 -0.825 12.350 1.00 0.00 H ATOM 1697 N CYS B 80 -44.240 -1.480 15.374 1.00 57.68 N ATOM 1698 CA CYS B 80 -42.969 -0.825 15.642 1.00 48.32 C ATOM 1699 C CYS B 80 -41.842 -1.765 15.294 1.00 60.56 C ATOM 1700 O CYS B 80 -41.938 -2.969 15.515 1.00 68.13 O ATOM 1701 CB CYS B 80 -42.871 -0.399 17.108 1.00 48.45 C ATOM 1702 SG CYS B 80 -43.996 0.941 17.617 1.00 50.37 S ATOM 1703 H CYS B 80 -44.582 -2.210 16.030 1.00 0.00 H ATOM 1704 N THR B 81 -40.763 -1.222 14.756 1.00 44.30 N ATOM 1705 CA THR B 81 -39.649 -2.056 14.355 1.00 42.66 C ATOM 1706 C THR B 81 -38.349 -1.258 14.415 1.00 50.32 C ATOM 1707 O THR B 81 -38.378 -0.033 14.496 1.00 45.58 O ATOM 1708 CB THR B 81 -39.858 -2.612 12.946 1.00 51.12 C ATOM 1709 OG1 THR B 81 -38.916 -3.662 12.691 1.00 59.62 O ATOM 1710 CG2 THR B 81 -39.680 -1.509 11.931 1.00 46.42 C ATOM 1711 HG1 THR B 81 -37.996 -3.304 12.768 1.00 0.00 H ATOM 1712 H THR B 81 -40.714 -0.192 14.620 1.00 0.00 H ATOM 1713 N THR B 82 -37.213 -1.952 14.398 1.00 51.53 N ATOM 1714 CA THR B 82 -35.916 -1.290 14.537 1.00 48.80 C ATOM 1715 C THR B 82 -35.431 -0.772 13.200 1.00 45.91 C ATOM 1716 O THR B 82 -35.830 -1.265 12.157 1.00 53.56 O ATOM 1717 CB THR B 82 -34.833 -2.229 15.127 1.00 67.35 C ATOM 1718 OG1 THR B 82 -34.775 -3.439 14.360 1.00 76.60 O ATOM 1719 CG2 THR B 82 -35.133 -2.566 16.581 1.00 63.45 C ATOM 1720 HG1 THR B 82 -34.083 -4.036 14.740 1.00 0.00 H ATOM 1721 H THR B 82 -37.248 -2.985 14.284 1.00 0.00 H ATOM 1722 N THR B 83 -34.593 0.253 13.238 1.00 45.76 N ATOM 1723 CA THR B 83 -33.823 0.647 12.069 1.00 44.97 C ATOM 1724 C THR B 83 -32.365 0.794 12.490 1.00 40.54 C ATOM 1725 O THR B 83 -32.019 0.670 13.677 1.00 30.49 O ATOM 1726 CB THR B 83 -34.324 1.958 11.408 1.00 47.81 C ATOM 1727 OG1 THR B 83 -34.427 3.004 12.384 1.00 48.80 O ATOM 1728 CG2 THR B 83 -35.668 1.737 10.754 1.00 35.18 C ATOM 1729 HG1 THR B 83 -34.747 3.832 11.946 1.00 0.00 H ATOM 1730 H THR B 83 -34.483 0.788 14.123 1.00 0.00 H ATOM 1731 N HIS B 84 -31.516 1.060 11.508 1.00 36.72 N ATOM 1732 CA HIS B 84 -30.100 0.823 11.670 1.00 40.18 C ATOM 1733 C HIS B 84 -29.240 1.911 11.058 1.00 41.70 C ATOM 1734 O HIS B 84 -29.651 2.615 10.138 1.00 39.23 O ATOM 1735 CB HIS B 84 -29.759 -0.493 11.031 1.00 27.81 C ATOM 1736 CG HIS B 84 -30.157 -0.549 9.597 1.00 61.10 C ATOM 1737 ND1 HIS B 84 -31.448 -0.813 9.197 1.00 66.95 N ATOM 1738 CD2 HIS B 84 -29.450 -0.319 8.466 1.00 59.70 C ATOM 1739 CE1 HIS B 84 -31.515 -0.768 7.879 1.00 65.43 C ATOM 1740 NE2 HIS B 84 -30.315 -0.473 7.411 1.00 60.51 N ATOM 1741 H HIS B 84 -31.873 1.444 10.610 1.00 0.00 H ATOM 1742 N THR B 85 -28.037 2.043 11.589 1.00 25.47 N ATOM 1743 CA THR B 85 -27.006 2.779 10.917 1.00 24.37 C ATOM 1744 C THR B 85 -25.967 1.709 10.517 1.00 30.43 C ATOM 1745 O THR B 85 -26.230 0.492 10.606 1.00 23.88 O ATOM 1746 CB THR B 85 -26.418 3.888 11.826 1.00 31.09 C ATOM 1747 OG1 THR B 85 -25.568 4.765 11.072 1.00 26.12 O ATOM 1748 CG2 THR B 85 -25.639 3.284 13.000 1.00 33.65 C ATOM 1749 HG1 THR B 85 -26.093 5.189 10.348 1.00 0.00 H ATOM 1750 H THR B 85 -27.835 1.605 12.510 1.00 0.00 H ATOM 1751 N PHE B 86 -24.809 2.162 10.054 1.00 25.26 N ATOM 1752 CA PHE B 86 -23.712 1.287 9.747 1.00 21.56 C ATOM 1753 C PHE B 86 -22.493 1.839 10.433 1.00 32.26 C ATOM 1754 O PHE B 86 -22.095 2.989 10.206 1.00 32.66 O ATOM 1755 CB PHE B 86 -23.462 1.186 8.240 1.00 27.51 C ATOM 1756 CG PHE B 86 -24.492 0.380 7.499 1.00 29.51 C ATOM 1757 CD1 PHE B 86 -24.551 -1.002 7.642 1.00 32.49 C ATOM 1758 CD2 PHE B 86 -25.388 0.998 6.640 1.00 31.85 C ATOM 1759 CE1 PHE B 86 -25.505 -1.752 6.955 1.00 33.79 C ATOM 1760 CE2 PHE B 86 -26.346 0.256 5.957 1.00 27.28 C ATOM 1761 CZ PHE B 86 -26.404 -1.117 6.116 1.00 25.34 C ATOM 1762 H PHE B 86 -24.692 3.185 9.908 1.00 0.00 H ATOM 1763 N VAL B 87 -21.894 1.012 11.270 1.00 29.86 N ATOM 1764 CA VAL B 87 -20.648 1.363 11.922 1.00 31.49 C ATOM 1765 C VAL B 87 -19.530 0.466 11.419 1.00 28.51 C ATOM 1766 O VAL B 87 -19.765 -0.711 11.124 1.00 19.40 O ATOM 1767 CB VAL B 87 -20.761 1.205 13.428 1.00 26.02 C ATOM 1768 CG1 VAL B 87 -19.604 1.876 14.084 1.00 44.13 C ATOM 1769 CG2 VAL B 87 -22.037 1.812 13.887 1.00 27.90 C ATOM 1770 H VAL B 87 -22.326 0.087 11.466 1.00 0.00 H ATOM 1771 N LYS B 88 -18.323 1.011 11.325 1.00 18.28 N ATOM 1772 CA LYS B 88 -17.149 0.191 11.056 1.00 20.34 C ATOM 1773 C LYS B 88 -16.824 -0.675 12.289 1.00 22.27 C ATOM 1774 O LYS B 88 -16.737 -0.170 13.394 1.00 33.73 O ATOM 1775 CB LYS B 88 -15.965 1.073 10.691 1.00 19.31 C ATOM 1776 CG LYS B 88 -15.056 0.500 9.633 1.00 36.87 C ATOM 1777 CD LYS B 88 -15.682 0.638 8.258 1.00 50.98 C ATOM 1778 CE LYS B 88 -14.763 0.142 7.156 1.00 58.25 C ATOM 1779 NZ LYS B 88 -13.472 0.878 7.117 1.00 66.88 N ATOM 1780 HZ1 LYS B 88 -13.655 1.888 6.951 1.00 0.00 H ATOM 1781 HZ2 LYS B 88 -12.978 0.758 8.025 1.00 0.00 H ATOM 1782 HZ3 LYS B 88 -12.882 0.501 6.348 1.00 0.00 H ATOM 1783 H LYS B 88 -18.214 2.038 11.445 1.00 0.00 H ATOM 1784 N ALA B 89 -16.670 -1.979 12.093 1.00 18.67 N ATOM 1785 CA ALA B 89 -16.292 -2.890 13.176 1.00 19.35 C ATOM 1786 C ALA B 89 -15.203 -3.886 12.708 1.00 27.33 C ATOM 1787 O ALA B 89 -15.197 -4.309 11.553 1.00 33.88 O ATOM 1788 CB ALA B 89 -17.512 -3.634 13.680 1.00 20.40 C ATOM 1789 H ALA B 89 -16.823 -2.366 11.140 1.00 0.00 H ATOM 1790 N LEU B 90 -14.281 -4.262 13.592 1.00 21.38 N ATOM 1791 CA LEU B 90 -13.294 -5.269 13.225 1.00 20.13 C ATOM 1792 C LEU B 90 -13.995 -6.617 13.205 1.00 23.36 C ATOM 1793 O LEU B 90 -14.640 -7.007 14.196 1.00 22.25 O ATOM 1794 CB LEU B 90 -12.107 -5.278 14.189 1.00 20.53 C ATOM 1795 CG LEU B 90 -11.101 -6.401 13.900 1.00 31.09 C ATOM 1796 CD1 LEU B 90 -10.495 -6.263 12.495 1.00 20.36 C ATOM 1797 CD2 LEU B 90 -10.020 -6.458 14.967 1.00 25.66 C ATOM 1798 H LEU B 90 -14.265 -3.838 14.542 1.00 0.00 H ATOM 1799 N THR B 91 -13.894 -7.322 12.075 1.00 24.64 N ATOM 1800 CA THR B 91 -14.679 -8.551 11.872 1.00 28.53 C ATOM 1801 C THR B 91 -13.870 -9.688 11.234 1.00 23.38 C ATOM 1802 O THR B 91 -12.685 -9.521 10.926 1.00 22.90 O ATOM 1803 CB THR B 91 -15.903 -8.286 10.978 1.00 24.37 C ATOM 1804 OG1 THR B 91 -15.460 -7.674 9.761 1.00 21.48 O ATOM 1805 CG2 THR B 91 -16.893 -7.364 11.655 1.00 22.13 C ATOM 1806 HG1 THR B 91 -15.004 -6.820 9.969 1.00 0.00 H ATOM 1807 H THR B 91 -13.250 -6.997 11.326 1.00 0.00 H ATOM 1808 N THR B 92 -14.516 -10.841 11.071 1.00 24.76 N ATOM 1809 CA THR B 92 -14.015 -11.922 10.223 1.00 26.33 C ATOM 1810 C THR B 92 -15.156 -12.645 9.529 1.00 27.56 C ATOM 1811 O THR B 92 -16.201 -12.878 10.121 1.00 29.80 O ATOM 1812 CB THR B 92 -13.222 -13.004 10.983 1.00 33.95 C ATOM 1813 OG1 THR B 92 -13.941 -13.399 12.158 1.00 42.32 O ATOM 1814 CG2 THR B 92 -11.866 -12.521 11.365 1.00 31.91 C ATOM 1815 HG1 THR B 92 -14.824 -13.763 11.897 1.00 0.00 H ATOM 1816 H THR B 92 -15.418 -10.979 11.570 1.00 0.00 H ATOM 1817 N ASP B 93 -14.951 -12.976 8.260 1.00 32.59 N ATOM 1818 CA ASP B 93 -15.714 -14.027 7.613 1.00 41.86 C ATOM 1819 C ASP B 93 -14.843 -15.284 7.649 1.00 53.52 C ATOM 1820 O ASP B 93 -13.882 -15.358 8.429 1.00 61.24 O ATOM 1821 CB ASP B 93 -16.103 -13.654 6.181 1.00 44.23 C ATOM 1822 CG ASP B 93 -14.919 -13.229 5.341 1.00 63.67 C ATOM 1823 OD1 ASP B 93 -13.772 -13.615 5.656 1.00 62.66 O ATOM 1824 OD2 ASP B 93 -15.145 -12.500 4.349 1.00 80.87 O ATOM 1825 H ASP B 93 -14.225 -12.469 7.715 1.00 0.00 H ATOM 1826 N GLU B 94 -15.183 -16.265 6.821 1.00 57.03 N ATOM 1827 CA GLU B 94 -14.373 -17.468 6.704 1.00 63.76 C ATOM 1828 C GLU B 94 -12.904 -17.072 6.512 1.00 64.19 C ATOM 1829 O GLU B 94 -12.055 -17.354 7.364 1.00 67.25 O ATOM 1830 CB GLU B 94 -14.880 -18.345 5.545 1.00 67.21 C ATOM 1831 CG GLU B 94 -15.621 -17.561 4.446 1.00 75.61 C ATOM 1832 CD GLU B 94 -16.191 -18.445 3.341 1.00 86.32 C ATOM 1833 OE1 GLU B 94 -16.159 -19.690 3.482 1.00 84.33 O ATOM 1834 OE2 GLU B 94 -16.674 -17.885 2.330 1.00 93.84 O ATOM 1835 H GLU B 94 -16.044 -16.172 6.246 1.00 0.00 H ATOM 1836 N LYS B 95 -12.631 -16.364 5.421 1.00 58.08 N ATOM 1837 CA LYS B 95 -11.277 -15.961 5.082 1.00 60.03 C ATOM 1838 C LYS B 95 -10.638 -14.935 6.049 1.00 56.11 C ATOM 1839 O LYS B 95 -9.956 -15.313 7.009 1.00 66.26 O ATOM 1840 CB LYS B 95 -11.270 -15.403 3.661 1.00 68.22 C ATOM 1841 CG LYS B 95 -9.881 -15.161 3.110 1.00 79.93 C ATOM 1842 CD LYS B 95 -9.938 -14.361 1.821 1.00 84.22 C ATOM 1843 CE LYS B 95 -10.644 -15.133 0.727 1.00 90.88 C ATOM 1844 NZ LYS B 95 -10.410 -14.483 -0.586 1.00 96.21 N ATOM 1845 HZ1 LYS B 95 -10.778 -13.511 -0.561 1.00 0.00 H ATOM 1846 HZ2 LYS B 95 -9.389 -14.463 -0.785 1.00 0.00 H ATOM 1847 HZ3 LYS B 95 -10.899 -15.021 -1.330 1.00 0.00 H ATOM 1848 H LYS B 95 -13.411 -16.090 4.790 1.00 0.00 H ATOM 1849 N GLN B 96 -10.859 -13.644 5.806 1.00 38.61 N ATOM 1850 CA GLN B 96 -9.999 -12.647 6.424 1.00 35.32 C ATOM 1851 C GLN B 96 -10.612 -11.796 7.543 1.00 24.67 C ATOM 1852 O GLN B 96 -11.825 -11.590 7.624 1.00 25.77 O ATOM 1853 CB GLN B 96 -9.454 -11.718 5.340 1.00 43.67 C ATOM 1854 CG GLN B 96 -10.452 -10.700 4.840 1.00 54.09 C ATOM 1855 CD GLN B 96 -9.962 -9.984 3.606 1.00 56.06 C ATOM 1856 OE1 GLN B 96 -8.842 -10.219 3.147 1.00 54.01 O ATOM 1857 NE2 GLN B 96 -10.804 -9.112 3.050 1.00 60.35 N ATOM 1858 HE22 GLN B 96 -11.739 -8.948 3.475 1.00 0.00 H ATOM 1859 HE21 GLN B 96 -10.526 -8.596 2.191 1.00 0.00 H ATOM 1860 H GLN B 96 -11.638 -13.352 5.181 1.00 0.00 H ATOM 1861 N ALA B 97 -9.728 -11.322 8.413 1.00 24.15 N ATOM 1862 CA ALA B 97 -10.046 -10.311 9.387 1.00 23.16 C ATOM 1863 C ALA B 97 -9.972 -8.959 8.707 1.00 21.63 C ATOM 1864 O ALA B 97 -9.024 -8.708 7.965 1.00 21.88 O ATOM 1865 CB ALA B 97 -9.077 -10.370 10.554 1.00 23.57 C ATOM 1866 H ALA B 97 -8.759 -11.699 8.390 1.00 0.00 H ATOM 1867 N ALA B 98 -10.958 -8.101 8.940 1.00 20.89 N ATOM 1868 CA ALA B 98 -10.889 -6.732 8.458 1.00 20.35 C ATOM 1869 C ALA B 98 -11.948 -5.859 9.118 1.00 25.61 C ATOM 1870 O ALA B 98 -12.843 -6.361 9.808 1.00 19.77 O ATOM 1871 CB ALA B 98 -11.055 -6.687 6.957 1.00 19.62 C ATOM 1872 H ALA B 98 -11.793 -8.414 9.476 1.00 0.00 H ATOM 1873 N TRP B 99 -11.817 -4.549 8.898 1.00 27.34 N ATOM 1874 CA TRP B 99 -12.848 -3.562 9.242 1.00 24.67 C ATOM 1875 C TRP B 99 -13.938 -3.478 8.156 1.00 29.80 C ATOM 1876 O TRP B 99 -13.669 -3.151 6.992 1.00 36.75 O ATOM 1877 CB TRP B 99 -12.202 -2.191 9.477 1.00 17.70 C ATOM 1878 CG TRP B 99 -11.605 -2.077 10.864 1.00 23.91 C ATOM 1879 CD1 TRP B 99 -12.209 -1.559 11.980 1.00 27.20 C ATOM 1880 CD2 TRP B 99 -10.317 -2.539 11.289 1.00 24.84 C ATOM 1881 NE1 TRP B 99 -11.368 -1.657 13.068 1.00 28.10 N ATOM 1882 CE2 TRP B 99 -10.201 -2.258 12.670 1.00 27.08 C ATOM 1883 CE3 TRP B 99 -9.248 -3.167 10.637 1.00 27.27 C ATOM 1884 CZ2 TRP B 99 -9.065 -2.573 13.403 1.00 30.99 C ATOM 1885 CZ3 TRP B 99 -8.118 -3.484 11.373 1.00 24.32 C ATOM 1886 CH2 TRP B 99 -8.036 -3.182 12.736 1.00 34.21 C ATOM 1887 HE1 TRP B 99 -11.583 -1.329 14.031 1.00 0.00 H ATOM 1888 H TRP B 99 -10.937 -4.209 8.459 1.00 0.00 H ATOM 1889 N ARG B 100 -15.161 -3.812 8.553 1.00 28.20 N ATOM 1890 CA ARG B 100 -16.310 -3.882 7.661 1.00 22.33 C ATOM 1891 C ARG B 100 -17.449 -3.057 8.233 1.00 24.38 C ATOM 1892 O ARG B 100 -17.614 -2.993 9.451 1.00 27.96 O ATOM 1893 CB ARG B 100 -16.782 -5.332 7.479 1.00 24.76 C ATOM 1894 CG ARG B 100 -15.811 -6.253 6.778 1.00 20.45 C ATOM 1895 CD ARG B 100 -16.381 -7.664 6.622 1.00 22.17 C ATOM 1896 NE ARG B 100 -15.436 -8.551 5.937 1.00 22.92 N ATOM 1897 CZ ARG B 100 -14.549 -9.322 6.564 1.00 27.01 C ATOM 1898 NH1 ARG B 100 -14.497 -9.333 7.887 1.00 31.04 N ATOM 1899 NH2 ARG B 100 -13.709 -10.083 5.879 1.00 31.96 N ATOM 1900 HE ARG B 100 -15.460 -8.580 4.898 1.00 0.00 H ATOM 1901 HH12 ARG B 100 -13.804 -9.935 8.375 1.00 0.00 H ATOM 1902 HH11 ARG B 100 -15.149 -8.739 8.438 1.00 0.00 H ATOM 1903 HH22 ARG B 100 -13.021 -10.680 6.381 1.00 0.00 H ATOM 1904 HH21 ARG B 100 -13.737 -10.083 4.839 1.00 0.00 H ATOM 1905 H ARG B 100 -15.306 -4.036 9.558 1.00 0.00 H ATOM 1906 N PHE B 101 -18.251 -2.436 7.386 1.00 19.23 N ATOM 1907 CA PHE B 101 -19.433 -1.778 7.916 1.00 21.06 C ATOM 1908 C PHE B 101 -20.476 -2.810 8.243 1.00 21.79 C ATOM 1909 O PHE B 101 -20.839 -3.625 7.405 1.00 30.81 O ATOM 1910 CB PHE B 101 -19.993 -0.753 6.933 1.00 28.54 C ATOM 1911 CG PHE B 101 -19.322 0.580 7.024 1.00 26.52 C ATOM 1912 CD1 PHE B 101 -19.531 1.393 8.121 1.00 27.43 C ATOM 1913 CD2 PHE B 101 -18.477 1.011 6.033 1.00 21.44 C ATOM 1914 CE1 PHE B 101 -18.909 2.604 8.231 1.00 20.82 C ATOM 1915 CE2 PHE B 101 -17.863 2.240 6.133 1.00 21.41 C ATOM 1916 CZ PHE B 101 -18.082 3.030 7.241 1.00 23.27 C ATOM 1917 H PHE B 101 -18.042 -2.419 6.367 1.00 0.00 H ATOM 1918 N ILE B 102 -20.924 -2.797 9.482 1.00 20.78 N ATOM 1919 CA ILE B 102 -21.983 -3.685 9.907 1.00 32.86 C ATOM 1920 C ILE B 102 -23.178 -2.848 10.357 1.00 32.95 C ATOM 1921 O ILE B 102 -23.020 -1.685 10.781 1.00 21.82 O ATOM 1922 CB ILE B 102 -21.518 -4.594 11.055 1.00 38.77 C ATOM 1923 CG1 ILE B 102 -21.091 -3.731 12.251 1.00 45.59 C ATOM 1924 CG2 ILE B 102 -20.370 -5.465 10.596 1.00 22.09 C ATOM 1925 CD1 ILE B 102 -21.000 -4.456 13.570 1.00 22.57 C ATOM 1926 H ILE B 102 -20.508 -2.135 10.168 1.00 0.00 H ATOM 1927 N ARG B 103 -24.367 -3.429 10.261 1.00 29.94 N ATOM 1928 CA ARG B 103 -25.576 -2.742 10.720 1.00 40.26 C ATOM 1929 C ARG B 103 -25.820 -2.925 12.225 1.00 35.22 C ATOM 1930 O ARG B 103 -25.681 -4.024 12.764 1.00 34.55 O ATOM 1931 CB ARG B 103 -26.795 -3.222 9.930 1.00 47.50 C ATOM 1932 CG ARG B 103 -27.036 -4.695 10.046 1.00 53.00 C ATOM 1933 CD ARG B 103 -27.724 -5.231 8.816 1.00 59.79 C ATOM 1934 NE ARG B 103 -29.082 -4.723 8.672 1.00 68.84 N ATOM 1935 CZ ARG B 103 -29.552 -4.155 7.565 1.00 79.74 C ATOM 1936 NH1 ARG B 103 -28.769 -4.019 6.492 1.00 82.27 N ATOM 1937 NH2 ARG B 103 -30.810 -3.725 7.530 1.00 84.13 N ATOM 1938 HE ARG B 103 -29.724 -4.810 9.486 1.00 0.00 H ATOM 1939 HH12 ARG B 103 -29.142 -3.574 5.629 1.00 0.00 H ATOM 1940 HH11 ARG B 103 -27.786 -4.358 6.519 1.00 0.00 H ATOM 1941 HH22 ARG B 103 -31.184 -3.280 6.667 1.00 0.00 H ATOM 1942 HH21 ARG B 103 -31.420 -3.834 8.365 1.00 0.00 H ATOM 1943 H ARG B 103 -24.441 -4.384 9.855 1.00 0.00 H ATOM 1944 N ILE B 104 -26.154 -1.829 12.898 1.00 34.43 N ATOM 1945 CA ILE B 104 -26.530 -1.865 14.310 1.00 35.35 C ATOM 1946 C ILE B 104 -27.841 -1.101 14.502 1.00 42.37 C ATOM 1947 O ILE B 104 -28.067 -0.072 13.861 1.00 42.44 O ATOM 1948 CB ILE B 104 -25.428 -1.276 15.234 1.00 41.47 C ATOM 1949 CG1 ILE B 104 -25.299 0.237 15.061 1.00 51.22 C ATOM 1950 CG2 ILE B 104 -24.078 -1.936 14.959 1.00 35.45 C ATOM 1951 CD1 ILE B 104 -24.587 0.920 16.229 1.00 57.03 C ATOM 1952 H ILE B 104 -26.148 -0.914 12.403 1.00 0.00 H ATOM 1953 N ASP B 105 -28.709 -1.640 15.361 1.00 46.66 N ATOM 1954 CA ASP B 105 -29.998 -1.032 15.698 1.00 38.37 C ATOM 1955 C ASP B 105 -29.806 0.342 16.339 1.00 28.92 C ATOM 1956 O ASP B 105 -29.004 0.483 17.281 1.00 36.13 O ATOM 1957 CB ASP B 105 -30.772 -1.946 16.647 1.00 44.35 C ATOM 1958 CG ASP B 105 -31.299 -3.199 15.964 1.00 62.50 C ATOM 1959 OD1 ASP B 105 -31.578 -3.151 14.740 1.00 67.61 O ATOM 1960 OD2 ASP B 105 -31.443 -4.234 16.663 1.00 74.65 O ATOM 1961 H ASP B 105 -28.456 -2.541 15.816 1.00 0.00 H ATOM 1962 N THR B 106 -30.523 1.354 15.842 1.00 29.26 N ATOM 1963 CA THR B 106 -30.377 2.712 16.394 1.00 37.64 C ATOM 1964 C THR B 106 -31.666 3.460 16.711 1.00 38.38 C ATOM 1965 O THR B 106 -31.615 4.511 17.358 1.00 52.02 O ATOM 1966 CB THR B 106 -29.560 3.630 15.464 1.00 27.87 C ATOM 1967 OG1 THR B 106 -30.056 3.518 14.129 1.00 32.97 O ATOM 1968 CG2 THR B 106 -28.097 3.244 15.495 1.00 48.55 C ATOM 1969 HG1 THR B 106 -29.531 4.108 13.532 1.00 0.00 H ATOM 1970 H THR B 106 -31.188 1.182 15.061 1.00 0.00 H ATOM 1971 N ALA B 107 -32.809 2.960 16.251 1.00 31.96 N ATOM 1972 CA ALA B 107 -34.087 3.576 16.611 1.00 33.74 C ATOM 1973 C ALA B 107 -35.252 2.616 16.459 1.00 39.22 C ATOM 1974 O ALA B 107 -35.132 1.561 15.843 1.00 39.04 O ATOM 1975 CB ALA B 107 -34.339 4.828 15.789 1.00 33.84 C ATOM 1976 H ALA B 107 -32.795 2.125 15.631 1.00 0.00 H ATOM 1977 N CYS B 108 -36.383 2.991 17.041 1.00 42.50 N ATOM 1978 CA CYS B 108 -37.608 2.225 16.895 1.00 38.95 C ATOM 1979 C CYS B 108 -38.626 3.105 16.173 1.00 40.21 C ATOM 1980 O CYS B 108 -38.977 4.186 16.648 1.00 56.27 O ATOM 1981 CB CYS B 108 -38.113 1.767 18.263 1.00 40.43 C ATOM 1982 SG CYS B 108 -39.469 0.590 18.241 1.00 87.53 S ATOM 1983 H CYS B 108 -36.393 3.857 17.617 1.00 0.00 H ATOM 1984 N VAL B 109 -39.071 2.664 15.003 1.00 40.63 N ATOM 1985 CA VAL B 109 -39.983 3.470 14.205 1.00 47.40 C ATOM 1986 C VAL B 109 -41.254 2.725 13.876 1.00 51.03 C ATOM 1987 O VAL B 109 -41.296 1.491 13.909 1.00 51.82 O ATOM 1988 CB VAL B 109 -39.351 3.929 12.883 1.00 44.23 C ATOM 1989 CG1 VAL B 109 -38.282 4.949 13.146 1.00 42.91 C ATOM 1990 CG2 VAL B 109 -38.798 2.743 12.125 1.00 39.94 C ATOM 1991 H VAL B 109 -38.765 1.734 14.653 1.00 0.00 H ATOM 1992 N CYS B 110 -42.286 3.493 13.544 1.00 51.30 N ATOM 1993 CA CYS B 110 -43.594 2.932 13.286 1.00 48.51 C ATOM 1994 C CYS B 110 -43.773 2.734 11.799 1.00 48.98 C ATOM 1995 O CYS B 110 -43.415 3.599 11.006 1.00 48.43 O ATOM 1996 CB CYS B 110 -44.685 3.838 13.844 1.00 50.66 C ATOM 1997 SG CYS B 110 -46.343 3.219 13.597 1.00 54.01 S ATOM 1998 H CYS B 110 -42.150 4.521 13.468 1.00 0.00 H ATOM 1999 N VAL B 111 -44.331 1.582 11.442 1.00 50.22 N ATOM 2000 CA VAL B 111 -44.560 1.188 10.052 1.00 56.43 C ATOM 2001 C VAL B 111 -46.046 1.087 9.736 1.00 54.27 C ATOM 2002 O VAL B 111 -46.773 0.419 10.454 1.00 55.70 O ATOM 2003 CB VAL B 111 -43.911 -0.161 9.765 1.00 50.11 C ATOM 2004 CG1 VAL B 111 -44.288 -0.655 8.377 1.00 51.52 C ATOM 2005 CG2 VAL B 111 -42.406 -0.048 9.936 1.00 55.54 C ATOM 2006 H VAL B 111 -44.621 0.924 12.193 1.00 0.00 H ATOM 2007 N LEU B 112 -46.493 1.743 8.670 1.00 55.58 N ATOM 2008 CA LEU B 112 -47.914 1.763 8.342 1.00 65.47 C ATOM 2009 C LEU B 112 -48.275 0.794 7.230 1.00 67.57 C ATOM 2010 O LEU B 112 -47.436 0.373 6.436 1.00 64.88 O ATOM 2011 CB LEU B 112 -48.365 3.170 7.941 1.00 67.36 C ATOM 2012 CG LEU B 112 -48.265 4.276 8.986 1.00 59.41 C ATOM 2013 CD1 LEU B 112 -48.922 5.547 8.483 1.00 61.41 C ATOM 2014 CD2 LEU B 112 -48.889 3.808 10.280 1.00 60.23 C ATOM 2015 H LEU B 112 -45.819 2.250 8.061 1.00 0.00 H ATOM 2016 N SER B 113 -49.553 0.458 7.183 1.00 72.73 N ATOM 2017 CA SER B 113 -50.086 -0.444 6.184 1.00 65.61 C ATOM 2018 C SER B 113 -51.576 -0.167 6.072 1.00 69.28 C ATOM 2019 O SER B 113 -52.302 -0.197 7.068 1.00 70.40 O ATOM 2020 CB SER B 113 -49.810 -1.895 6.564 1.00 65.13 C ATOM 2021 OG SER B 113 -50.622 -2.766 5.813 1.00 75.90 O ATOM 2022 HG SER B 113 -50.429 -3.702 6.073 1.00 0.00 H ATOM 2023 H SER B 113 -50.201 0.858 7.892 1.00 0.00 H ATOM 2024 N ARG B 114 -52.023 0.131 4.860 1.00 75.05 N ATOM 2025 CA ARG B 114 -53.403 0.540 4.628 1.00 77.77 C ATOM 2026 C ARG B 114 -54.379 -0.596 4.887 1.00 77.61 C ATOM 2027 O ARG B 114 -54.237 -1.674 4.318 1.00 85.17 O ATOM 2028 CB ARG B 114 -53.554 1.040 3.195 1.00 80.74 C ATOM 2029 CG ARG B 114 -54.480 2.231 3.009 1.00 89.96 C ATOM 2030 CD ARG B 114 -54.138 2.929 1.698 1.00 95.96 C ATOM 2031 NE ARG B 114 -53.232 2.104 0.899 1.00101.89 N ATOM 2032 CZ ARG B 114 -52.405 2.572 -0.030 1.00106.98 C ATOM 2033 NH1 ARG B 114 -52.369 3.874 -0.287 1.00110.32 N ATOM 2034 NH2 ARG B 114 -51.608 1.740 -0.699 1.00105.17 N ATOM 2035 HE ARG B 114 -53.235 1.078 1.070 1.00 0.00 H ATOM 2036 HH12 ARG B 114 -51.723 4.243 -1.014 1.00 0.00 H ATOM 2037 HH11 ARG B 114 -52.987 4.525 0.238 1.00 0.00 H ATOM 2038 HH22 ARG B 114 -50.962 2.110 -1.425 1.00 0.00 H ATOM 2039 HH21 ARG B 114 -51.632 0.720 -0.495 1.00 0.00 H ATOM 2040 H ARG B 114 -51.371 0.071 4.052 1.00 0.00 H ATOM 2041 N LYS B 115 -55.361 -0.365 5.751 1.00 79.46 N ATOM 2042 CA LYS B 115 -56.424 -1.347 5.937 1.00 95.32 C ATOM 2043 C LYS B 115 -57.637 -0.945 5.103 1.00 86.53 C ATOM 2044 O LYS B 115 -58.093 -1.710 4.253 1.00 88.89 O ATOM 2045 CB LYS B 115 -56.804 -1.489 7.417 1.00 93.42 C ATOM 2046 CG LYS B 115 -57.870 -2.563 7.690 1.00102.27 C ATOM 2047 CD LYS B 115 -58.203 -2.725 9.191 1.00109.85 C ATOM 2048 CE LYS B 115 -59.286 -3.781 9.460 1.00116.30 C ATOM 2049 NZ LYS B 115 -59.590 -3.917 10.921 1.00117.30 N ATOM 2050 HZ1 LYS B 115 -58.727 -4.200 11.428 1.00 0.00 H ATOM 2051 HZ2 LYS B 115 -59.927 -3.005 11.290 1.00 0.00 H ATOM 2052 HZ3 LYS B 115 -60.326 -4.640 11.055 1.00 0.00 H ATOM 2053 H LYS B 115 -55.372 0.520 6.297 1.00 0.00 H TER 2054 LYS B 115 HETATM 2055 O HOH 1 -38.678 17.873 11.439 1.00 76.57 O HETATM 2056 O HOH 2 -55.612 13.372 9.867 1.00 81.72 O HETATM 2057 O HOH 3 -25.216 14.207 11.921 1.00 36.88 O HETATM 2058 O HOH 4 -16.813 12.377 7.594 1.00 21.36 O HETATM 2059 O HOH 5 -29.324 5.837 9.956 1.00 41.37 O HETATM 2060 O HOH 6 -36.179 6.628 9.672 1.00 36.70 O HETATM 2061 O HOH 7 -22.815 15.168 13.912 1.00 59.57 O HETATM 2062 O HOH 8 -8.760 6.092 0.581 1.00 35.70 O HETATM 2063 O HOH 9 -3.896 20.731 18.777 1.00 49.60 O HETATM 2064 O HOH 10 -8.444 6.907 21.446 1.00 36.95 O HETATM 2065 O HOH 11 -24.648 10.286 0.117 1.00 42.14 O HETATM 2066 O HOH 12 -18.938 2.923 16.799 1.00 26.17 O HETATM 2067 O HOH 13 -55.623 17.226 19.386 1.00 84.11 O HETATM 2068 O HOH 14 -29.827 14.462 16.685 1.00 39.61 O HETATM 2069 O HOH 15 -12.391 21.466 19.645 1.00 65.59 O HETATM 2070 O HOH 16 -40.122 -1.733 3.551 1.00 55.92 O HETATM 2071 O HOH 17 -41.646 6.748 14.519 1.00 45.44 O HETATM 2072 O HOH 18 -54.139 18.191 21.109 1.00 87.39 O HETATM 2073 O HOH 19 -44.382 6.468 2.674 1.00 65.05 O HETATM 2074 O HOH 20 -55.252 6.862 19.570 1.00 76.07 O HETATM 2075 O HOH 21 -16.360 12.434 0.328 1.00 63.30 O HETATM 2076 O HOH 22 -13.479 3.082 13.884 1.00 51.71 O HETATM 2077 O HOH 23 -29.972 8.979 22.940 1.00 63.35 O HETATM 2078 O HOH 24 -3.100 -0.855 -0.836 1.00 42.54 O HETATM 2079 O HOH 25 -3.593 -0.006 25.918 1.00 70.47 O HETATM 2080 O HOH 26 -37.320 -3.561 11.008 1.00 48.54 O HETATM 2081 O HOH 27 -24.367 -14.066 5.014 1.00 46.92 O HETATM 2082 O HOH 28 -18.400 3.656 11.495 1.00 57.99 O HETATM 2083 O HOH 29 -17.889 -5.289 3.894 1.00 32.35 O HETATM 2084 O HOH 30 -17.459 -2.930 4.741 1.00 21.31 O HETATM 2085 O HOH 31 -19.306 -5.660 21.062 1.00 28.25 O HETATM 2086 O HOH 32 -13.684 -3.621 4.200 1.00 58.53 O HETATM 2087 O HOH 33 -35.843 5.086 25.951 1.00 45.63 O HETATM 2088 O HOH 34 -9.937 -3.607 6.930 1.00 22.10 O HETATM 2089 O HOH 35 -26.918 -4.417 4.304 1.00 51.61 O HETATM 2090 O HOH 36 -25.506 -7.349 15.583 1.00 31.03 O HETATM 2091 O HOH 37 -23.856 -11.350 18.815 1.00 46.22 O HETATM 2092 O HOH 38 -3.846 2.115 16.039 1.00 42.80 O HETATM 2093 O HOH 39 -38.577 6.167 23.258 1.00 58.67 O HETATM 2094 O HOH 40 -15.327 -8.377 2.894 1.00 59.38 O HETATM 2095 O HOH 41 -41.917 -7.146 20.594 1.00 67.33 O HETATM 2096 O HOH 42 -34.066 4.492 23.444 1.00 60.80 O HETATM 2097 O HOH 43 -39.480 14.819 22.468 1.00 52.47 O HETATM 2098 O HOH 44 -31.391 6.789 22.294 1.00 78.85 O HETATM 2099 O HOH 45 -17.974 -10.159 3.954 1.00 45.30 O HETATM 2100 O HOH 46 -33.403 4.933 25.606 1.00 64.03 O HETATM 2101 O HOH 47 -8.415 -0.283 27.805 1.00 74.26 O HETATM 2102 O HOH 48 -25.103 7.119 27.117 1.00 62.02 O HETATM 2103 O HOH 49 -39.692 8.941 23.338 1.00 76.08 O HETATM 2104 O HOH 50 -40.138 11.406 23.835 1.00 53.09 O HETATM 2105 O HOH 51 -27.723 5.029 27.847 1.00 67.68 O HETATM 2106 O HOH 52 -7.561 -2.401 17.503 1.00 35.39 O HETATM 2107 O HOH 53 -10.517 -2.155 18.841 1.00 69.08 O HETATM 2108 O HOH 54 -17.994 1.787 28.243 1.00 80.80 O HETATM 2109 O HOH 55 -21.449 4.517 30.606 1.00 90.70 O HETATM 2110 O HOH 56 0.591 -1.237 26.974 1.00 68.55 O HETATM 2111 O HOH 57 -6.334 4.633 11.416 1.00 42.12 O HETATM 2112 O HOH 58 -37.321 10.041 24.835 1.00 60.63 O HETATM 2113 O HOH 59 -6.402 -8.335 14.488 1.00 24.84 O HETATM 2114 O HOH 60 -5.199 -5.816 14.235 1.00 28.04 O HETATM 2115 P LPY A 61 -10.342 3.130 22.361 1.00 0.26 P HETATM 2116 O3 LPY A 61 -10.158 1.787 23.206 1.00 -0.25 O HETATM 2117 C43 LPY A 61 -11.200 1.393 24.088 1.00 0.15 C HETATM 2118 C41 LPY A 61 -10.882 0.020 24.641 1.00 0.12 C HETATM 2119 O2 LPY A 61 -10.917 -0.922 23.579 1.00 -0.39 O HETATM 2120 H2 LPY A 61 -11.793 -0.953 23.213 1.00 0.21 H HETATM 2121 C26 LPY A 61 -11.873 -0.409 25.714 1.00 0.11 C HETATM 2122 O1 LPY A 61 -11.433 -1.628 26.286 1.00 -0.39 O HETATM 2123 H1 LPY A 61 -11.345 -2.283 25.604 1.00 0.21 H HETATM 2124 C17 LPY A 61 -12.010 0.631 26.813 1.00 0.11 C HETATM 2125 O13 LPY A 61 -13.060 0.235 27.698 1.00 -0.39 O HETATM 2126 H6 LPY A 61 -12.868 -0.627 28.049 1.00 0.21 H HETATM 2127 C20 LPY A 61 -12.326 2.004 26.260 1.00 0.11 C HETATM 2128 O12 LPY A 61 -12.290 2.942 27.316 1.00 -0.39 O HETATM 2129 H5 LPY A 61 -11.424 2.944 27.707 1.00 0.21 H HETATM 2130 C44 LPY A 61 -11.333 2.431 25.184 1.00 0.12 C HETATM 2131 O11 LPY A 61 -10.067 2.634 25.781 1.00 -0.39 O HETATM 2132 H4 LPY A 61 -9.443 2.900 25.116 1.00 0.21 H HETATM 2133 H40 LPY A 61 -11.681 3.374 24.737 1.00 0.07 H HETATM 2134 H11 LPY A 61 -13.335 1.985 25.822 1.00 0.06 H HETATM 2135 H10 LPY A 61 -11.063 0.683 27.370 1.00 0.06 H HETATM 2136 H12 LPY A 61 -12.857 -0.560 25.246 1.00 0.06 H HETATM 2137 H38 LPY A 61 -9.873 0.040 25.079 1.00 0.07 H HETATM 2138 H39 LPY A 61 -12.148 1.340 23.533 1.00 0.07 H HETATM 2139 O4 LPY A 61 -10.174 4.319 23.268 1.00 -0.62 O HETATM 2140 O5 LPY A 61 -11.719 3.154 21.752 1.00 -0.62 O HETATM 2141 O10 LPY A 61 -9.237 3.186 21.192 1.00 -0.25 O HETATM 2142 C16 LPY A 61 -9.170 2.092 20.256 1.00 0.11 C HETATM 2143 C15 LPY A 61 -9.153 2.638 18.840 1.00 0.11 C HETATM 2144 O8 LPY A 61 -10.460 2.680 18.340 1.00 -0.39 O HETATM 2145 H3 LPY A 61 -10.448 3.022 17.454 1.00 0.21 H HETATM 2146 C45 LPY A 61 -8.289 1.726 17.946 1.00 0.11 C HETATM 2147 O9 LPY A 61 -8.838 1.698 16.614 1.00 -0.27 O HETATM 2148 C42 LPY A 61 -7.849 1.557 15.578 1.00 0.23 C HETATM 2149 O7 LPY A 61 -6.813 2.195 15.634 1.00 -0.37 O HETATM 2150 C40 LPY A 61 -8.098 0.611 14.413 1.00 0.05 C HETATM 2151 C39 LPY A 61 -8.125 1.400 13.114 1.00 -0.03 C HETATM 2152 C38 LPY A 61 -8.225 0.423 11.922 1.00 -0.05 C HETATM 2153 C37 LPY A 61 -8.875 1.138 10.720 1.00 -0.05 C HETATM 2154 C36 LPY A 61 -8.802 0.212 9.464 1.00 -0.05 C HETATM 2155 C35 LPY A 61 -9.794 0.715 8.393 1.00 -0.05 C HETATM 2156 C34 LPY A 61 -9.606 -0.097 7.091 1.00 -0.05 C HETATM 2157 C33 LPY A 61 -10.910 -0.027 6.243 1.00 -0.05 C HETATM 2158 C32 LPY A 61 -10.550 -0.100 4.734 1.00 -0.05 C HETATM 2159 C31 LPY A 61 -11.270 1.038 3.974 1.00 -0.05 C HETATM 2160 C30 LPY A 61 -11.272 0.725 2.464 1.00 -0.06 C HETATM 2161 C29 LPY A 61 -12.165 1.737 1.731 1.00 -0.07 C HETATM 2162 H13 LPY A 61 -12.166 1.513 0.654 1.00 0.02 H HETATM 2163 H14 LPY A 61 -11.777 2.753 1.894 1.00 0.02 H HETATM 2164 H15 LPY A 61 -13.192 1.669 2.120 1.00 0.02 H HETATM 2165 H16 LPY A 61 -10.245 0.793 2.075 1.00 0.03 H HETATM 2166 H17 LPY A 61 -11.660 -0.291 2.301 1.00 0.03 H HETATM 2167 H18 LPY A 61 -12.306 1.121 4.333 1.00 0.03 H HETATM 2168 H19 LPY A 61 -10.744 1.988 4.151 1.00 0.03 H HETATM 2169 H20 LPY A 61 -9.462 0.009 4.611 1.00 0.03 H HETATM 2170 H21 LPY A 61 -10.870 -1.071 4.328 1.00 0.03 H HETATM 2171 H22 LPY A 61 -11.564 -0.872 6.505 1.00 0.03 H HETATM 2172 H23 LPY A 61 -11.432 0.919 6.450 1.00 0.03 H HETATM 2173 H24 LPY A 61 -8.770 0.324 6.514 1.00 0.03 H HETATM 2174 H25 LPY A 61 -9.387 -1.146 7.341 1.00 0.03 H HETATM 2175 H26 LPY A 61 -10.823 0.587 8.759 1.00 0.03 H HETATM 2176 H27 LPY A 61 -9.606 1.780 8.191 1.00 0.03 H HETATM 2177 H28 LPY A 61 -7.781 0.230 9.055 1.00 0.03 H HETATM 2178 H29 LPY A 61 -9.064 -0.817 9.752 1.00 0.03 H HETATM 2179 H30 LPY A 61 -9.927 1.361 10.951 1.00 0.03 H HETATM 2180 H31 LPY A 61 -8.337 2.076 10.516 1.00 0.03 H HETATM 2181 H32 LPY A 61 -7.217 0.081 11.643 1.00 0.03 H HETATM 2182 H33 LPY A 61 -8.840 -0.443 12.209 1.00 0.03 H HETATM 2183 H34 LPY A 61 -8.995 2.072 13.111 1.00 0.03 H HETATM 2184 H35 LPY A 61 -7.203 1.993 13.026 1.00 0.03 H HETATM 2185 H36 LPY A 61 -7.293 -0.137 14.370 1.00 0.05 H HETATM 2186 H37 LPY A 61 -9.064 0.103 14.553 1.00 0.05 H HETATM 2187 H41 LPY A 61 -7.261 2.115 17.910 1.00 0.06 H HETATM 2188 H42 LPY A 61 -8.281 0.707 18.361 1.00 0.06 H HETATM 2189 H7 LPY A 61 -8.730 3.653 18.844 1.00 0.06 H HETATM 2190 H8 LPY A 61 -10.048 1.442 20.388 1.00 0.06 H HETATM 2191 H9 LPY A 61 -8.253 1.511 20.436 1.00 0.06 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 51 50 684 CONECT 469 468 964 CONECT 556 555 979 CONECT 684 51 683 CONECT 964 469 963 CONECT 979 556 978 CONECT 1024 1025 1033 1034 1035 CONECT 1033 1024 CONECT 1034 1024 CONECT 1035 1024 CONECT 1069 1068 1702 CONECT 1487 1486 1982 CONECT 1574 1573 1997 CONECT 1702 1069 1701 CONECT 1982 1487 1981 CONECT 1997 1574 1996 CONECT 2115 2116 2139 2140 2141 CONECT 2116 2115 2117 CONECT 2117 2116 2118 2130 2138 CONECT 2118 2117 2119 2121 2137 CONECT 2119 2118 2120 CONECT 2120 2119 CONECT 2121 2118 2122 2124 2136 CONECT 2122 2121 2123 CONECT 2123 2122 CONECT 2124 2121 2125 2127 2135 CONECT 2125 2124 2126 CONECT 2126 2125 CONECT 2127 2124 2128 2130 2134 CONECT 2128 2127 2129 CONECT 2129 2128 CONECT 2130 2117 2127 2131 2133 CONECT 2131 2130 2132 CONECT 2132 2131 CONECT 2133 2130 CONECT 2134 2127 CONECT 2135 2124 CONECT 2136 2121 CONECT 2137 2118 CONECT 2138 2117 CONECT 2139 2115 CONECT 2140 2115 CONECT 2141 2115 2142 CONECT 2142 2141 2143 2190 2191 CONECT 2143 2142 2144 2146 2189 CONECT 2144 2143 2145 CONECT 2145 2144 CONECT 2146 2143 2147 2187 2188 CONECT 2147 2146 2148 CONECT 2148 2147 2149 2150 CONECT 2149 2148 CONECT 2150 2148 2151 2185 2186 CONECT 2151 2150 2152 2183 2184 CONECT 2152 2151 2153 2181 2182 CONECT 2153 2152 2154 2179 2180 CONECT 2154 2153 2155 2177 2178 CONECT 2155 2154 2156 2175 2176 CONECT 2156 2155 2157 2173 2174 CONECT 2157 2156 2158 2171 2172 CONECT 2158 2157 2159 2169 2170 CONECT 2159 2158 2160 2167 2168 CONECT 2160 2159 2161 2165 2166 CONECT 2161 2160 2162 2163 2164 CONECT 2162 2161 CONECT 2163 2161 CONECT 2164 2161 CONECT 2165 2160 CONECT 2166 2160 CONECT 2167 2159 CONECT 2168 2159 CONECT 2169 2158 CONECT 2170 2158 CONECT 2171 2157 CONECT 2172 2157 CONECT 2173 2156 CONECT 2174 2156 CONECT 2175 2155 CONECT 2176 2155 CONECT 2177 2154 CONECT 2178 2154 CONECT 2179 2153 CONECT 2180 2153 CONECT 2181 2152 CONECT 2182 2152 CONECT 2183 2151 CONECT 2184 2151 CONECT 2185 2150 CONECT 2186 2150 CONECT 2187 2146 CONECT 2188 2146 CONECT 2189 2143 CONECT 2190 2142 CONECT 2191 2142 MASTER 0 0 0 0 0 0 0 0 2189 2 97 18 END
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Structure:
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Protein
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Related entries of code: 4xpj
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB Code
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Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
4xpj
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Beta-nerve growth factor
Ligand Name
LPY
EC.Number
E.C.-.-.-.-
Resolution
2.61(Å)
Affinity (Kd/Ki/IC50)
Kd~8.11uM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) Acta Crystallogr.,Sect.F Vol. 71: pp. 906-912
Ligand Properties
Formula
C
2
2
H
4
4
O
1
2
P
Molecular Weight
531.551
Exact Mass
531.257
No. of atoms
79
No. of bonds
79
Polar Surface Area
220.19
LOGP Value
0.63 (
Computed with XLOGP3
)
0.08 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 9
No. of Rotatable Bonds: 25
No. of Nitrogen and Oxygen Atoms: 12
No. of Rings: 1
Canonical SMILES
CCCCCCCCCCCCC(=O)OC[C@H](COP(O[C@@H]1[C@H](O)[C@H](O)[C@H]([C@@H]([C@H]1O)O)O)(O)O)O
InChI String
InChI=1S/C22H45O12P/c1-2-3-4-5-6-7-8-9-10-11-12-16(24)32-13-15(23)14-33-35(30,31)34-22-20(28)18(26)17(25)19(27)21(22)29/h15,17-23,25-31,35H,2-14H2,1H3/t15-,17-,18-,19+,20-,21-,22-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P01139
Entrez Gene ID
NCBI Entrez Gene ID:
18049
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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