Browse entries in the PDBbind-CN Database
HEADER 6R0X_COMPLEX COMPND 6R0X_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 E 19 GLY ALA SER LEU ASP GLY ARG PRO GLY ASP ARG VAL ASP SEQRES 2 E 19 LEU SER CYS GLY GLY VAL SEQRES 1 E 41 ARG TRP VAL TRP ALA PRO SER PHE PRO ALA CYS LYS GLY SEQRES 2 E 41 LEU SER LYS GLY ARG ARG PRO ILE LEU TRP ALA ALA ALA SEQRES 3 E 41 ALA GLY ALA PRO THR VAL PRO PRO LEU GLN PRO PHE VAL SEQRES 4 E 41 GLY ARG SEQRES 1 E 39 ILE ARG ARG LEU GLU LEU LEU LEU SER ALA GLY ASP SER SEQRES 2 E 39 GLY THR PHE PHE CYS LYS GLY ARG HIS GLU ASP GLU SER SEQRES 3 E 39 ARG THR VAL LEU HIS VAL LEU GLY ASP ARG THR TYR CYS SEQRES 1 F 20 PRO GLY ALA SER LEU ASP GLY ARG PRO GLY ASP ARG VAL SEQRES 2 F 20 ASP LEU SER CYS GLY GLY VAL SEQRES 1 F 41 ARG TRP VAL TRP ALA PRO SER PHE PRO ALA CYS LYS GLY SEQRES 2 F 41 LEU SER LYS GLY ARG ARG PRO ILE LEU TRP ALA ALA ALA SEQRES 3 F 41 ALA GLY ALA PRO THR VAL PRO PRO LEU GLN PRO PHE VAL SEQRES 4 F 41 GLY ARG SEQRES 1 F 37 ILE ARG ARG LEU GLU LEU LEU LEU SER ALA GLY ASP SER SEQRES 2 F 37 GLY THR PHE PHE CYS LYS GLY ARG HIS GLU ASP GLU SER SEQRES 3 F 37 ARG THR VAL LEU HIS VAL LEU GLY ASP ARG THR HET SGN A 198 202 SSBOND 1 CYS E 35 CYS E 108 SSBOND 2 CYS F 35 CYS F 108 ATOM 1 N GLY E 20 57.056 -19.404 28.198 1.00 91.83 N ATOM 2 CA GLY E 20 56.219 -20.039 27.177 1.00 91.07 C ATOM 3 C GLY E 20 54.818 -19.463 27.052 1.00 93.33 C ATOM 4 O GLY E 20 54.467 -18.532 27.781 1.00 93.74 O ATOM 5 HN3 GLY E 20 56.604 -19.508 29.129 1.00 0.00 H ATOM 6 HN2 GLY E 20 57.165 -18.394 27.976 1.00 0.00 H ATOM 7 HN1 GLY E 20 57.990 -19.860 28.212 1.00 0.00 H ATOM 8 N ALA E 21 54.001 -20.002 26.120 1.00 87.66 N ATOM 9 CA ALA E 21 52.626 -19.532 25.908 1.00 86.23 C ATOM 10 C ALA E 21 51.633 -20.567 26.411 1.00 87.15 C ATOM 11 O ALA E 21 51.721 -21.730 26.022 1.00 86.19 O ATOM 12 CB ALA E 21 52.390 -19.234 24.439 1.00 86.96 C ATOM 13 H ALA E 21 54.360 -20.780 25.530 1.00 0.00 H ATOM 14 N SER E 22 50.728 -20.154 27.321 1.00 81.97 N ATOM 15 CA SER E 22 49.728 -21.023 27.953 1.00 80.58 C ATOM 16 C SER E 22 48.340 -20.413 27.807 1.00 84.59 C ATOM 17 O SER E 22 48.037 -19.400 28.435 1.00 83.99 O ATOM 18 CB SER E 22 50.088 -21.274 29.417 1.00 80.66 C ATOM 19 OG SER E 22 49.286 -22.269 30.030 1.00 82.50 O ATOM 20 HG SER E 22 49.568 -22.384 30.972 1.00 0.00 H ATOM 21 H SER E 22 50.739 -19.151 27.594 1.00 0.00 H ATOM 22 N LEU E 23 47.510 -21.022 26.950 1.00 81.94 N ATOM 23 CA LEU E 23 46.168 -20.540 26.623 1.00 82.37 C ATOM 24 C LEU E 23 45.024 -21.428 27.091 1.00 89.60 C ATOM 25 O LEU E 23 45.198 -22.637 27.260 1.00 89.59 O ATOM 26 CB LEU E 23 46.047 -20.284 25.122 1.00 82.03 C ATOM 27 CG LEU E 23 45.767 -18.843 24.739 1.00 86.31 C ATOM 28 CD1 LEU E 23 47.018 -17.975 24.863 1.00 86.45 C ATOM 29 CD2 LEU E 23 45.205 -18.762 23.351 1.00 87.42 C ATOM 30 H LEU E 23 47.841 -21.893 26.488 1.00 0.00 H ATOM 31 N ASP E 24 43.850 -20.794 27.325 1.00 87.66 N ATOM 32 CA ASP E 24 42.614 -21.430 27.782 1.00 87.83 C ATOM 33 C ASP E 24 41.421 -20.758 27.166 1.00 91.28 C ATOM 34 O ASP E 24 41.249 -19.548 27.290 1.00 89.05 O ATOM 35 CB ASP E 24 42.505 -21.495 29.310 1.00 90.18 C ATOM 36 CG ASP E 24 43.140 -20.341 30.068 1.00112.55 C ATOM 37 OD1 ASP E 24 43.603 -20.564 31.205 1.00114.37 O ATOM 38 OD2 ASP E 24 43.169 -19.209 29.524 1.00124.62 O ATOM 39 H ASP E 24 43.825 -19.767 27.166 1.00 0.00 H ATOM 40 N GLY E 25 40.659 -21.552 26.429 1.00 89.99 N ATOM 41 CA GLY E 25 39.484 -21.101 25.700 1.00 90.41 C ATOM 42 C GLY E 25 38.294 -22.022 25.842 1.00 94.63 C ATOM 43 O GLY E 25 38.338 -22.996 26.596 1.00 95.42 O ATOM 44 H GLY E 25 40.916 -22.558 26.368 1.00 0.00 H ATOM 45 N ARG E 26 37.225 -21.702 25.108 1.00 89.44 N ATOM 46 CA ARG E 26 35.951 -22.405 25.113 1.00 88.09 C ATOM 47 C ARG E 26 35.682 -23.023 23.724 1.00 91.85 C ATOM 48 O ARG E 26 36.224 -22.497 22.749 1.00 90.85 O ATOM 49 CB ARG E 26 34.863 -21.370 25.435 1.00 85.17 C ATOM 50 CG ARG E 26 33.820 -21.864 26.407 1.00 97.24 C ATOM 51 CD ARG E 26 33.235 -20.757 27.266 1.00108.42 C ATOM 52 NE ARG E 26 32.086 -20.105 26.638 1.00114.87 N ATOM 53 CZ ARG E 26 32.166 -19.040 25.847 1.00128.76 C ATOM 54 NH1 ARG E 26 33.341 -18.480 25.592 1.00113.54 N ATOM 55 NH2 ARG E 26 31.066 -18.507 25.331 1.00118.36 N ATOM 56 HE ARG E 26 31.143 -20.502 26.823 1.00 0.00 H ATOM 57 HH12 ARG E 26 33.396 -17.647 24.972 1.00 0.00 H ATOM 58 HH11 ARG E 26 34.207 -18.874 26.012 1.00 0.00 H ATOM 59 HH22 ARG E 26 31.133 -17.674 24.712 1.00 0.00 H ATOM 60 HH21 ARG E 26 30.137 -18.923 25.545 1.00 0.00 H ATOM 61 H ARG E 26 37.311 -20.879 24.478 1.00 0.00 H ATOM 62 N PRO E 27 34.834 -24.080 23.570 1.00 88.88 N ATOM 63 CA PRO E 27 34.511 -24.560 22.221 1.00 89.05 C ATOM 64 C PRO E 27 33.668 -23.509 21.494 1.00 96.71 C ATOM 65 O PRO E 27 32.819 -22.856 22.113 1.00 96.60 O ATOM 66 CB PRO E 27 33.683 -25.821 22.488 1.00 90.40 C ATOM 67 CG PRO E 27 33.948 -26.178 23.895 1.00 94.87 C ATOM 68 CD PRO E 27 34.087 -24.860 24.572 1.00 90.53 C ATOM 69 N GLY E 28 33.935 -23.323 20.207 1.00 96.36 N ATOM 70 CA GLY E 28 33.226 -22.332 19.406 1.00 97.73 C ATOM 71 C GLY E 28 33.904 -20.975 19.357 1.00104.69 C ATOM 72 O GLY E 28 33.448 -20.078 18.641 1.00105.05 O ATOM 73 H GLY E 28 34.672 -23.902 19.756 1.00 0.00 H ATOM 74 N ASP E 29 34.993 -20.807 20.123 1.00102.48 N ATOM 75 CA ASP E 29 35.803 -19.592 20.087 1.00102.82 C ATOM 76 C ASP E 29 36.883 -19.832 19.008 1.00106.41 C ATOM 77 O ASP E 29 36.956 -20.922 18.413 1.00105.39 O ATOM 78 CB ASP E 29 36.471 -19.310 21.464 1.00105.29 C ATOM 79 CG ASP E 29 35.584 -18.850 22.620 1.00120.48 C ATOM 80 OD1 ASP E 29 34.356 -18.673 22.405 1.00122.48 O ATOM 81 OD2 ASP E 29 36.120 -18.666 23.747 1.00125.74 O ATOM 82 H ASP E 29 35.272 -21.573 20.769 1.00 0.00 H ATOM 83 N ARG E 30 37.721 -18.814 18.763 1.00103.24 N ATOM 84 CA ARG E 30 38.837 -18.879 17.815 1.00102.47 C ATOM 85 C ARG E 30 40.057 -18.205 18.422 1.00103.22 C ATOM 86 O ARG E 30 39.934 -17.105 18.976 1.00103.43 O ATOM 87 CB ARG E 30 38.475 -18.251 16.458 1.00103.36 C ATOM 88 CG ARG E 30 37.699 -19.199 15.545 1.00115.03 C ATOM 89 CD ARG E 30 37.630 -18.730 14.099 1.00126.77 C ATOM 90 NE ARG E 30 36.842 -17.506 13.928 1.00135.75 N ATOM 91 CZ ARG E 30 37.351 -16.304 13.668 1.00148.25 C ATOM 92 NH1 ARG E 30 38.667 -16.144 13.546 1.00132.53 N ATOM 93 NH2 ARG E 30 36.553 -15.255 13.528 1.00135.11 N ATOM 94 HE ARG E 30 35.809 -17.582 14.016 1.00 0.00 H ATOM 95 HH12 ARG E 30 39.060 -15.203 13.343 1.00 0.00 H ATOM 96 HH11 ARG E 30 39.302 -16.960 13.654 1.00 0.00 H ATOM 97 HH22 ARG E 30 36.956 -14.318 13.325 1.00 0.00 H ATOM 98 HH21 ARG E 30 35.523 -15.369 13.621 1.00 0.00 H ATOM 99 H ARG E 30 37.570 -17.923 19.278 1.00 0.00 H ATOM 100 N VAL E 31 41.223 -18.868 18.350 1.00 96.32 N ATOM 101 CA VAL E 31 42.441 -18.293 18.900 1.00 94.97 C ATOM 102 C VAL E 31 43.579 -18.302 17.889 1.00 96.50 C ATOM 103 O VAL E 31 43.926 -19.345 17.345 1.00 96.08 O ATOM 104 CB VAL E 31 42.854 -18.883 20.268 1.00 98.90 C ATOM 105 CG1 VAL E 31 42.143 -18.157 21.413 1.00 98.76 C ATOM 106 CG2 VAL E 31 42.605 -20.385 20.331 1.00 98.63 C ATOM 107 H VAL E 31 41.255 -19.803 17.896 1.00 0.00 H ATOM 108 N ASP E 32 44.112 -17.111 17.597 1.00 92.46 N ATOM 109 CA ASP E 32 45.238 -16.914 16.691 1.00 92.63 C ATOM 110 C ASP E 32 46.507 -17.240 17.484 1.00 97.67 C ATOM 111 O ASP E 32 46.706 -16.677 18.567 1.00 98.82 O ATOM 112 CB ASP E 32 45.280 -15.464 16.146 1.00 94.57 C ATOM 113 CG ASP E 32 44.306 -15.108 15.016 1.00108.62 C ATOM 114 OD1 ASP E 32 43.648 -16.033 14.472 1.00110.31 O ATOM 115 OD2 ASP E 32 44.215 -13.904 14.664 1.00114.27 O ATOM 116 H ASP E 32 43.696 -16.270 18.045 1.00 0.00 H ATOM 117 N LEU E 33 47.334 -18.182 16.984 1.00 92.87 N ATOM 118 CA LEU E 33 48.561 -18.621 17.665 1.00 91.99 C ATOM 119 C LEU E 33 49.782 -18.648 16.734 1.00 98.68 C ATOM 120 O LEU E 33 49.671 -19.129 15.606 1.00 98.32 O ATOM 121 CB LEU E 33 48.354 -19.976 18.387 1.00 91.06 C ATOM 122 CG LEU E 33 47.473 -21.039 17.710 1.00 94.04 C ATOM 123 CD1 LEU E 33 48.302 -22.014 16.905 1.00 93.68 C ATOM 124 CD2 LEU E 33 46.689 -21.815 18.733 1.00 94.64 C ATOM 125 H LEU E 33 47.091 -18.619 16.072 1.00 0.00 H ATOM 126 N SER E 34 50.946 -18.130 17.201 1.00 97.44 N ATOM 127 CA SER E 34 52.166 -18.075 16.378 1.00 98.31 C ATOM 128 C SER E 34 53.440 -18.646 17.038 1.00103.34 C ATOM 129 O SER E 34 53.364 -19.426 17.988 1.00101.56 O ATOM 130 CB SER E 34 52.418 -16.647 15.897 1.00103.33 C ATOM 131 OG SER E 34 53.027 -15.842 16.893 1.00114.50 O ATOM 132 HG SER E 34 53.170 -14.930 16.536 1.00 0.00 H ATOM 133 H SER E 34 50.978 -17.760 18.172 1.00 0.00 H ATOM 134 N CYS E 35 54.610 -18.274 16.483 1.00102.82 N ATOM 135 CA CYS E 35 55.933 -18.686 16.952 1.00104.67 C ATOM 136 C CYS E 35 56.925 -17.505 16.950 1.00113.05 C ATOM 137 O CYS E 35 56.520 -16.341 16.898 1.00113.29 O ATOM 138 CB CYS E 35 56.484 -19.880 16.159 1.00105.19 C ATOM 139 SG CYS E 35 55.363 -20.563 14.898 1.00109.14 S ATOM 140 H CYS E 35 54.569 -17.644 15.656 1.00 0.00 H ATOM 141 N GLY E 36 58.208 -17.845 17.046 1.00111.92 N ATOM 142 CA GLY E 36 59.361 -16.957 16.993 1.00112.41 C ATOM 143 C GLY E 36 60.470 -17.680 16.248 1.00119.20 C ATOM 144 O GLY E 36 61.650 -17.412 16.495 1.00118.77 O ATOM 145 H GLY E 36 58.410 -18.857 17.173 1.00 0.00 H ATOM 146 N GLY E 37 60.066 -18.614 15.357 1.00117.77 N ATOM 147 CA GLY E 37 60.905 -19.482 14.522 1.00118.67 C ATOM 148 C GLY E 37 62.034 -18.829 13.737 1.00125.17 C ATOM 149 O GLY E 37 61.898 -17.685 13.293 1.00125.54 O ATOM 150 H GLY E 37 59.038 -18.731 15.251 1.00 0.00 H ATOM 151 N VAL E 38 63.160 -19.582 13.552 1.00122.38 N ATOM 152 CA VAL E 38 64.433 -19.194 12.910 1.00166.18 C ATOM 153 C VAL E 38 64.280 -18.259 11.703 1.00229.25 C ATOM 154 O VAL E 38 65.126 -17.400 11.470 1.00197.97 O ATOM 155 CB VAL E 38 65.278 -20.432 12.539 1.00168.50 C ATOM 156 H VAL E 38 63.115 -20.557 13.911 1.00 0.00 H TER 157 VAL E 38 ATOM 158 N ARG E 43 59.270 -21.400 7.414 1.00110.74 N ATOM 159 CA ARG E 43 59.882 -22.643 6.927 1.00110.23 C ATOM 160 C ARG E 43 59.893 -23.685 8.074 1.00111.39 C ATOM 161 O ARG E 43 60.914 -24.295 8.403 1.00111.67 O ATOM 162 CB ARG E 43 61.290 -22.379 6.324 1.00110.44 C ATOM 163 HN3 ARG E 43 59.823 -21.034 8.215 1.00 0.00 H ATOM 164 HN2 ARG E 43 58.296 -21.592 7.722 1.00 0.00 H ATOM 165 HN1 ARG E 43 59.260 -20.697 6.648 1.00 0.00 H ATOM 166 N TRP E 44 58.743 -23.859 8.703 1.00104.40 N ATOM 167 CA TRP E 44 58.649 -24.751 9.835 1.00102.80 C ATOM 168 C TRP E 44 57.509 -25.754 9.655 1.00 99.32 C ATOM 169 O TRP E 44 57.046 -25.983 8.540 1.00 97.60 O ATOM 170 CB TRP E 44 58.498 -23.911 11.123 1.00102.67 C ATOM 171 CG TRP E 44 58.794 -22.457 10.913 1.00104.40 C ATOM 172 CD1 TRP E 44 57.892 -21.460 10.685 1.00107.41 C ATOM 173 CD2 TRP E 44 60.087 -21.871 10.750 1.00104.52 C ATOM 174 NE1 TRP E 44 58.545 -20.278 10.438 1.00107.17 N ATOM 175 CE2 TRP E 44 59.895 -20.500 10.477 1.00108.74 C ATOM 176 CE3 TRP E 44 61.399 -22.369 10.838 1.00106.05 C ATOM 177 CZ2 TRP E 44 60.962 -19.618 10.312 1.00108.30 C ATOM 178 CZ3 TRP E 44 62.456 -21.499 10.647 1.00107.71 C ATOM 179 CH2 TRP E 44 62.232 -20.149 10.355 1.00108.48 C ATOM 180 HE1 TRP E 44 58.088 -19.363 10.252 1.00 0.00 H ATOM 181 H TRP E 44 57.897 -23.348 8.379 1.00 0.00 H ATOM 182 N VAL E 45 57.080 -26.366 10.762 1.00 91.91 N ATOM 183 CA VAL E 45 56.004 -27.341 10.825 1.00 89.31 C ATOM 184 C VAL E 45 55.285 -27.257 12.191 1.00 87.12 C ATOM 185 O VAL E 45 55.934 -27.352 13.229 1.00 86.48 O ATOM 186 CB VAL E 45 56.491 -28.782 10.436 1.00 93.04 C ATOM 187 CG1 VAL E 45 57.686 -29.263 11.275 1.00 92.52 C ATOM 188 CG2 VAL E 45 55.350 -29.793 10.466 1.00 93.05 C ATOM 189 H VAL E 45 57.556 -26.124 11.654 1.00 0.00 H ATOM 190 N TRP E 46 53.970 -27.031 12.193 1.00 80.13 N ATOM 191 CA TRP E 46 53.204 -27.046 13.437 1.00 79.43 C ATOM 192 C TRP E 46 52.962 -28.542 13.790 1.00 83.55 C ATOM 193 O TRP E 46 52.607 -29.315 12.893 1.00 83.72 O ATOM 194 CB TRP E 46 51.908 -26.236 13.305 1.00 77.74 C ATOM 195 CG TRP E 46 52.108 -24.750 13.335 1.00 78.43 C ATOM 196 CD1 TRP E 46 52.386 -23.940 12.277 1.00 81.35 C ATOM 197 CD2 TRP E 46 52.063 -23.902 14.486 1.00 78.32 C ATOM 198 NE1 TRP E 46 52.503 -22.634 12.694 1.00 80.53 N ATOM 199 CE2 TRP E 46 52.315 -22.583 14.047 1.00 81.93 C ATOM 200 CE3 TRP E 46 51.827 -24.124 15.851 1.00 79.92 C ATOM 201 CZ2 TRP E 46 52.283 -21.486 14.914 1.00 81.31 C ATOM 202 CZ3 TRP E 46 51.847 -23.040 16.719 1.00 81.49 C ATOM 203 CH2 TRP E 46 52.073 -21.740 16.248 1.00 81.97 C ATOM 204 HE1 TRP E 46 52.702 -21.819 12.080 1.00 0.00 H ATOM 205 H TRP E 46 53.482 -26.841 11.294 1.00 0.00 H ATOM 206 N ALA E 47 53.259 -28.974 15.047 1.00 79.08 N ATOM 207 CA ALA E 47 53.161 -30.393 15.420 1.00 78.32 C ATOM 208 C ALA E 47 52.529 -30.700 16.808 1.00 84.30 C ATOM 209 O ALA E 47 53.246 -31.210 17.652 1.00 85.46 O ATOM 210 CB ALA E 47 54.539 -31.044 15.319 1.00 78.27 C ATOM 211 H ALA E 47 53.563 -28.282 15.762 1.00 0.00 H ATOM 212 N PRO E 48 51.202 -30.580 17.037 1.00 81.39 N ATOM 213 CA PRO E 48 50.640 -30.885 18.370 1.00 81.84 C ATOM 214 C PRO E 48 50.351 -32.330 18.759 1.00 87.42 C ATOM 215 O PRO E 48 50.123 -33.190 17.909 1.00 86.82 O ATOM 216 CB PRO E 48 49.315 -30.134 18.361 1.00 83.67 C ATOM 217 CG PRO E 48 48.894 -30.233 16.967 1.00 88.61 C ATOM 218 CD PRO E 48 50.163 -30.024 16.164 1.00 83.78 C ATOM 219 N SER E 49 50.260 -32.535 20.093 1.00 85.32 N ATOM 220 CA SER E 49 49.912 -33.757 20.811 1.00 85.69 C ATOM 221 C SER E 49 48.721 -33.377 21.671 1.00 88.81 C ATOM 222 O SER E 49 48.774 -32.333 22.332 1.00 86.87 O ATOM 223 CB SER E 49 51.063 -34.170 21.719 1.00 92.06 C ATOM 224 OG SER E 49 50.819 -35.423 22.340 1.00107.81 O ATOM 225 HG SER E 49 51.586 -35.657 22.920 1.00 0.00 H ATOM 226 H SER E 49 50.466 -31.708 20.689 1.00 0.00 H ATOM 227 N PHE E 50 47.641 -34.188 21.656 1.00 87.03 N ATOM 228 CA PHE E 50 46.433 -33.847 22.420 1.00 88.14 C ATOM 229 C PHE E 50 46.055 -34.844 23.516 1.00 95.41 C ATOM 230 O PHE E 50 46.019 -36.041 23.221 1.00 96.26 O ATOM 231 CB PHE E 50 45.224 -33.647 21.478 1.00 90.08 C ATOM 232 CG PHE E 50 45.440 -32.780 20.245 1.00 91.32 C ATOM 233 CD1 PHE E 50 45.790 -31.438 20.368 1.00 93.28 C ATOM 234 CD2 PHE E 50 45.244 -33.298 18.965 1.00 92.00 C ATOM 235 CE1 PHE E 50 46.000 -30.660 19.241 1.00 93.36 C ATOM 236 CE2 PHE E 50 45.444 -32.509 17.839 1.00 93.81 C ATOM 237 CZ PHE E 50 45.817 -31.200 17.986 1.00 92.14 C ATOM 238 H PHE E 50 47.665 -35.065 21.097 1.00 0.00 H ATOM 239 N PRO E 51 45.678 -34.399 24.752 1.00 92.96 N ATOM 240 CA PRO E 51 45.233 -35.360 25.772 1.00 93.43 C ATOM 241 C PRO E 51 43.760 -35.740 25.524 1.00 98.88 C ATOM 242 O PRO E 51 42.823 -35.309 26.224 1.00 99.43 O ATOM 243 CB PRO E 51 45.482 -34.614 27.098 1.00 95.06 C ATOM 244 CG PRO E 51 46.038 -33.239 26.709 1.00 98.63 C ATOM 245 CD PRO E 51 45.650 -33.032 25.299 1.00 94.10 C ATOM 246 N ALA E 52 43.584 -36.548 24.462 1.00 95.47 N ATOM 247 CA ALA E 52 42.352 -37.106 23.901 1.00 95.17 C ATOM 248 C ALA E 52 42.705 -38.231 22.876 1.00 98.67 C ATOM 249 O ALA E 52 43.884 -38.510 22.599 1.00 96.47 O ATOM 250 CB ALA E 52 41.539 -36.000 23.215 1.00 95.72 C ATOM 251 H ALA E 52 44.456 -36.817 23.964 1.00 0.00 H ATOM 252 N CYS E 53 41.667 -38.875 22.335 1.00 96.38 N ATOM 253 CA CYS E 53 41.807 -39.911 21.333 1.00 97.02 C ATOM 254 C CYS E 53 40.510 -40.062 20.538 1.00101.86 C ATOM 255 O CYS E 53 39.954 -41.163 20.424 1.00100.99 O ATOM 256 CB CYS E 53 42.251 -41.227 21.956 1.00 98.02 C ATOM 257 SG CYS E 53 40.953 -42.061 22.894 1.00102.61 S ATOM 258 H CYS E 53 40.709 -38.619 22.650 1.00 0.00 H ATOM 259 N LYS E 54 40.033 -38.945 19.958 1.00 99.58 N ATOM 260 CA LYS E 54 38.853 -38.964 19.088 1.00 99.56 C ATOM 261 C LYS E 54 39.324 -39.545 17.739 1.00105.89 C ATOM 262 O LYS E 54 39.753 -38.804 16.840 1.00104.72 O ATOM 263 CB LYS E 54 38.193 -37.573 18.952 1.00100.60 C ATOM 264 CG LYS E 54 39.018 -36.401 19.476 1.00 98.79 C ATOM 265 CD LYS E 54 39.948 -35.819 18.417 1.00 97.55 C ATOM 266 CE LYS E 54 40.450 -34.454 18.811 1.00 97.82 C ATOM 267 NZ LYS E 54 39.358 -33.439 18.878 1.00 97.28 N ATOM 268 HZ1 LYS E 54 38.905 -33.357 17.945 1.00 0.00 H ATOM 269 HZ2 LYS E 54 38.653 -33.736 19.582 1.00 0.00 H ATOM 270 HZ3 LYS E 54 39.758 -32.519 19.153 1.00 0.00 H ATOM 271 H LYS E 54 40.516 -38.041 20.132 1.00 0.00 H ATOM 272 N GLY E 55 39.358 -40.888 17.688 1.00104.77 N ATOM 273 CA GLY E 55 39.829 -41.683 16.550 1.00105.22 C ATOM 274 C GLY E 55 41.342 -41.752 16.404 1.00109.21 C ATOM 275 O GLY E 55 41.859 -42.614 15.679 1.00109.04 O ATOM 276 H GLY E 55 39.022 -41.406 18.525 1.00 0.00 H ATOM 277 N LEU E 56 42.049 -40.826 17.101 1.00104.95 N ATOM 278 CA LEU E 56 43.499 -40.627 17.150 1.00104.22 C ATOM 279 C LEU E 56 44.213 -41.573 18.127 1.00107.95 C ATOM 280 O LEU E 56 43.601 -42.499 18.646 1.00107.38 O ATOM 281 CB LEU E 56 43.783 -39.153 17.531 1.00103.99 C ATOM 282 CG LEU E 56 44.035 -38.144 16.397 1.00108.67 C ATOM 283 CD1 LEU E 56 45.269 -38.505 15.560 1.00111.22 C ATOM 284 CD2 LEU E 56 42.794 -37.925 15.538 1.00109.00 C ATOM 285 H LEU E 56 41.485 -40.170 17.678 1.00 0.00 H ATOM 286 N SER E 57 45.515 -41.343 18.356 1.00104.90 N ATOM 287 CA SER E 57 46.356 -42.108 19.276 1.00104.87 C ATOM 288 C SER E 57 47.436 -41.209 19.907 1.00109.60 C ATOM 289 O SER E 57 47.669 -40.081 19.444 1.00109.52 O ATOM 290 CB SER E 57 46.986 -43.303 18.567 1.00108.19 C ATOM 291 OG SER E 57 45.987 -44.220 18.153 1.00116.96 O ATOM 292 HG SER E 57 46.414 -44.987 17.696 1.00 0.00 H ATOM 293 H SER E 57 45.961 -40.559 17.839 1.00 0.00 H ATOM 294 N LYS E 58 48.082 -41.721 20.969 1.00106.02 N ATOM 295 CA LYS E 58 49.133 -41.066 21.755 1.00105.62 C ATOM 296 C LYS E 58 50.329 -40.611 20.903 1.00106.89 C ATOM 297 O LYS E 58 50.844 -41.400 20.109 1.00106.06 O ATOM 298 CB LYS E 58 49.558 -42.021 22.899 1.00109.14 C ATOM 299 CG LYS E 58 51.018 -41.949 23.373 1.00128.49 C ATOM 300 CD LYS E 58 51.839 -43.168 22.936 1.00135.80 C ATOM 301 CE LYS E 58 51.658 -44.362 23.846 1.00142.05 C ATOM 302 NZ LYS E 58 52.503 -45.509 23.426 1.00149.39 N ATOM 303 HZ1 LYS E 58 52.245 -45.792 22.459 1.00 0.00 H ATOM 304 HZ2 LYS E 58 53.504 -45.228 23.451 1.00 0.00 H ATOM 305 HZ3 LYS E 58 52.350 -46.307 24.075 1.00 0.00 H ATOM 306 H LYS E 58 47.808 -42.680 21.264 1.00 0.00 H ATOM 307 N GLY E 59 50.742 -39.351 21.083 1.00101.75 N ATOM 308 CA GLY E 59 51.887 -38.776 20.379 1.00100.48 C ATOM 309 C GLY E 59 51.649 -37.543 19.519 1.00100.18 C ATOM 310 O GLY E 59 50.530 -37.306 19.041 1.00 99.71 O ATOM 311 H GLY E 59 50.223 -38.752 21.756 1.00 0.00 H ATOM 312 N ARG E 60 52.741 -36.761 19.309 1.00 92.71 N ATOM 313 CA ARG E 60 52.790 -35.530 18.516 1.00 90.69 C ATOM 314 C ARG E 60 52.505 -35.829 17.043 1.00 91.37 C ATOM 315 O ARG E 60 53.240 -36.605 16.406 1.00 90.16 O ATOM 316 CB ARG E 60 54.159 -34.844 18.651 1.00 90.46 C ATOM 317 CG ARG E 60 54.443 -34.245 20.012 1.00102.06 C ATOM 318 CD ARG E 60 55.917 -34.353 20.366 1.00117.25 C ATOM 319 NE ARG E 60 56.282 -33.604 21.562 1.00131.71 N ATOM 320 CZ ARG E 60 56.142 -34.053 22.811 1.00152.41 C ATOM 321 NH1 ARG E 60 55.607 -35.248 23.037 1.00149.11 N ATOM 322 NH2 ARG E 60 56.518 -33.309 23.842 1.00136.28 N ATOM 323 HE ARG E 60 56.680 -32.652 21.433 1.00 0.00 H ATOM 324 HH12 ARG E 60 55.500 -35.594 24.012 1.00 0.00 H ATOM 325 HH11 ARG E 60 55.295 -35.838 22.239 1.00 0.00 H ATOM 326 HH22 ARG E 60 56.405 -33.668 24.811 1.00 0.00 H ATOM 327 HH21 ARG E 60 56.926 -32.366 23.681 1.00 0.00 H ATOM 328 H ARG E 60 53.629 -37.067 19.755 1.00 0.00 H ATOM 329 N ARG E 61 51.421 -35.211 16.518 1.00 85.01 N ATOM 330 CA ARG E 61 50.960 -35.353 15.139 1.00 82.74 C ATOM 331 C ARG E 61 51.116 -34.023 14.382 1.00 82.84 C ATOM 332 O ARG E 61 50.396 -33.084 14.706 1.00 81.47 O ATOM 333 CB ARG E 61 49.508 -35.891 15.096 1.00 80.89 C ATOM 334 H ARG E 61 50.874 -34.587 17.145 1.00 0.00 H ATOM 335 N PRO E 62 52.061 -33.892 13.406 1.00 78.40 N ATOM 336 CA PRO E 62 52.204 -32.603 12.684 1.00 78.10 C ATOM 337 C PRO E 62 50.939 -32.235 11.909 1.00 82.89 C ATOM 338 O PRO E 62 50.431 -33.083 11.174 1.00 84.16 O ATOM 339 CB PRO E 62 53.412 -32.836 11.768 1.00 79.66 C ATOM 340 CG PRO E 62 53.537 -34.316 11.634 1.00 83.49 C ATOM 341 CD PRO E 62 53.026 -34.900 12.910 1.00 79.36 C ATOM 342 N ILE E 63 50.381 -31.022 12.102 1.00 78.42 N ATOM 343 CA ILE E 63 49.101 -30.715 11.432 1.00 77.94 C ATOM 344 C ILE E 63 49.212 -29.719 10.223 1.00 80.73 C ATOM 345 O ILE E 63 48.356 -29.760 9.331 1.00 78.65 O ATOM 346 CB ILE E 63 47.979 -30.291 12.433 1.00 80.65 C ATOM 347 CG1 ILE E 63 48.043 -28.789 12.872 1.00 81.27 C ATOM 348 CG2 ILE E 63 47.892 -31.218 13.627 1.00 80.16 C ATOM 349 CD1 ILE E 63 49.167 -28.274 13.713 1.00 87.24 C ATOM 350 H ILE E 63 50.843 -30.317 12.711 1.00 0.00 H ATOM 351 N LEU E 64 50.239 -28.857 10.208 1.00 78.35 N ATOM 352 CA LEU E 64 50.466 -27.877 9.155 1.00 79.25 C ATOM 353 C LEU E 64 51.937 -27.723 8.903 1.00 90.43 C ATOM 354 O LEU E 64 52.703 -27.660 9.852 1.00 91.45 O ATOM 355 CB LEU E 64 49.920 -26.528 9.593 1.00 78.62 C ATOM 356 CG LEU E 64 49.132 -25.723 8.573 1.00 82.37 C ATOM 357 CD1 LEU E 64 48.227 -24.717 9.265 1.00 81.95 C ATOM 358 CD2 LEU E 64 50.040 -25.015 7.592 1.00 84.35 C ATOM 359 H LEU E 64 50.915 -28.890 10.997 1.00 0.00 H ATOM 360 N TRP E 65 52.338 -27.640 7.629 1.00 91.96 N ATOM 361 CA TRP E 65 53.725 -27.450 7.204 1.00 94.59 C ATOM 362 C TRP E 65 53.802 -26.462 6.022 1.00102.30 C ATOM 363 O TRP E 65 52.862 -26.357 5.226 1.00102.02 O ATOM 364 CB TRP E 65 54.482 -28.790 6.976 1.00 94.25 C ATOM 365 CG TRP E 65 53.647 -29.970 6.558 1.00 95.89 C ATOM 366 CD1 TRP E 65 52.633 -30.582 7.280 1.00 98.77 C ATOM 367 CD2 TRP E 65 53.784 -30.718 5.349 1.00 96.22 C ATOM 368 NE1 TRP E 65 52.078 -31.598 6.523 1.00 98.48 N ATOM 369 CE2 TRP E 65 52.787 -31.729 5.362 1.00100.26 C ATOM 370 CE3 TRP E 65 54.685 -30.678 4.256 1.00 97.60 C ATOM 371 CZ2 TRP E 65 52.651 -32.661 4.316 1.00 99.67 C ATOM 372 CZ3 TRP E 65 54.511 -31.576 3.201 1.00 99.01 C ATOM 373 CH2 TRP E 65 53.506 -32.557 3.243 1.00 99.64 C ATOM 374 HE1 TRP E 65 51.253 -32.171 6.794 1.00 0.00 H ATOM 375 H TRP E 65 51.612 -27.716 6.888 1.00 0.00 H ATOM 376 N ALA E 66 54.892 -25.644 6.029 1.00102.10 N ATOM 377 CA ALA E 66 55.230 -24.480 5.178 1.00103.69 C ATOM 378 C ALA E 66 54.965 -24.579 3.680 1.00113.08 C ATOM 379 O ALA E 66 54.099 -23.860 3.215 1.00113.48 O ATOM 380 CB ALA E 66 56.682 -24.068 5.393 1.00104.16 C ATOM 381 H ALA E 66 55.604 -25.875 6.751 1.00 0.00 H ATOM 382 N ALA E 67 55.685 -25.458 2.920 1.00112.72 N ATOM 383 CA ALA E 67 55.619 -25.572 1.446 1.00114.13 C ATOM 384 C ALA E 67 55.814 -24.164 0.727 1.00121.22 C ATOM 385 O ALA E 67 56.789 -23.478 1.063 1.00120.87 O ATOM 386 CB ALA E 67 54.357 -26.313 0.993 1.00114.91 C ATOM 387 H ALA E 67 56.333 -26.100 3.419 1.00 0.00 H ATOM 388 N ALA E 68 54.914 -23.759 -0.246 1.00119.80 N ATOM 389 CA ALA E 68 54.837 -22.455 -0.977 1.00119.81 C ATOM 390 C ALA E 68 53.564 -21.606 -0.565 1.00124.32 C ATOM 391 O ALA E 68 53.525 -20.391 -0.807 1.00124.72 O ATOM 392 CB ALA E 68 54.845 -22.685 -2.482 1.00120.24 C ATOM 393 H ALA E 68 54.190 -24.460 -0.505 1.00 0.00 H ATOM 394 N ALA E 69 52.539 -22.280 0.066 1.00119.80 N ATOM 395 CA ALA E 69 51.247 -21.773 0.593 1.00118.93 C ATOM 396 C ALA E 69 50.616 -22.848 1.578 1.00119.79 C ATOM 397 O ALA E 69 49.889 -23.762 1.137 1.00120.20 O ATOM 398 CB ALA E 69 50.292 -21.461 -0.563 1.00119.74 C ATOM 399 H ALA E 69 52.695 -23.300 0.192 1.00 0.00 H ATOM 400 N GLY E 70 50.944 -22.743 2.881 1.00112.14 N ATOM 401 CA GLY E 70 50.532 -23.715 3.898 1.00110.08 C ATOM 402 C GLY E 70 49.048 -23.992 4.041 1.00110.46 C ATOM 403 O GLY E 70 48.264 -23.056 4.181 1.00109.19 O ATOM 404 H GLY E 70 51.519 -21.930 3.181 1.00 0.00 H ATOM 405 N ALA E 71 48.653 -25.286 3.990 1.00105.92 N ATOM 406 CA ALA E 71 47.261 -25.753 4.164 1.00105.15 C ATOM 407 C ALA E 71 47.157 -27.063 5.035 1.00109.64 C ATOM 408 O ALA E 71 48.176 -27.748 5.180 1.00109.15 O ATOM 409 CB ALA E 71 46.577 -25.910 2.827 1.00105.37 C ATOM 410 H ALA E 71 49.383 -26.005 3.815 1.00 0.00 H ATOM 411 N PRO E 72 46.000 -27.392 5.691 1.00106.54 N ATOM 412 CA PRO E 72 45.978 -28.562 6.613 1.00106.50 C ATOM 413 C PRO E 72 45.902 -29.934 5.932 1.00110.09 C ATOM 414 O PRO E 72 46.519 -30.920 6.354 1.00109.14 O ATOM 415 CB PRO E 72 44.765 -28.290 7.513 1.00108.13 C ATOM 416 CG PRO E 72 43.871 -27.422 6.699 1.00112.76 C ATOM 417 CD PRO E 72 44.706 -26.673 5.695 1.00108.24 C ATOM 418 N THR E 73 45.097 -29.981 4.886 1.00106.77 N ATOM 419 CA THR E 73 44.858 -31.080 3.980 1.00107.37 C ATOM 420 C THR E 73 43.872 -32.104 4.673 1.00109.98 C ATOM 421 O THR E 73 42.712 -31.708 4.742 1.00110.13 O ATOM 422 CB THR E 73 46.198 -31.530 3.280 1.00125.85 C ATOM 423 OG1 THR E 73 46.659 -30.440 2.398 1.00133.46 O ATOM 424 CG2 THR E 73 46.108 -32.853 2.498 1.00124.24 C ATOM 425 HG1 THR E 73 47.501 -30.711 1.952 1.00 0.00 H ATOM 426 H THR E 73 44.564 -29.110 4.688 1.00 0.00 H ATOM 427 N VAL E 74 44.184 -33.355 5.084 1.00105.14 N ATOM 428 CA VAL E 74 42.996 -34.150 5.522 1.00104.16 C ATOM 429 C VAL E 74 42.881 -34.510 7.062 1.00109.84 C ATOM 430 O VAL E 74 41.737 -34.478 7.514 1.00111.85 O ATOM 431 CB VAL E 74 42.736 -35.406 4.653 1.00106.50 C ATOM 432 CG1 VAL E 74 41.461 -36.139 5.080 1.00105.54 C ATOM 433 CG2 VAL E 74 42.642 -35.012 3.179 1.00106.23 C ATOM 434 H VAL E 74 45.155 -33.727 5.094 1.00 0.00 H ATOM 435 N PRO E 75 43.891 -34.795 7.916 1.00104.12 N ATOM 436 CA PRO E 75 43.558 -35.065 9.332 1.00103.12 C ATOM 437 C PRO E 75 42.769 -33.891 10.038 1.00103.79 C ATOM 438 O PRO E 75 41.572 -34.130 10.201 1.00102.87 O ATOM 439 CB PRO E 75 44.915 -35.436 9.939 1.00105.25 C ATOM 440 CG PRO E 75 45.760 -35.916 8.725 1.00109.11 C ATOM 441 CD PRO E 75 45.340 -34.947 7.668 1.00104.89 C ATOM 442 N PRO E 76 43.262 -32.633 10.352 1.00 98.85 N ATOM 443 CA PRO E 76 42.376 -31.580 10.975 1.00 97.60 C ATOM 444 C PRO E 76 41.809 -30.524 9.972 1.00 98.80 C ATOM 445 O PRO E 76 42.505 -30.202 8.994 1.00100.26 O ATOM 446 CB PRO E 76 43.298 -30.923 12.003 1.00 98.98 C ATOM 447 CG PRO E 76 44.722 -31.261 11.502 1.00104.15 C ATOM 448 CD PRO E 76 44.646 -32.132 10.271 1.00100.04 C ATOM 449 N LEU E 77 40.560 -29.987 10.171 1.00 89.60 N ATOM 450 CA LEU E 77 39.927 -29.114 9.146 1.00 86.65 C ATOM 451 C LEU E 77 39.293 -27.744 9.610 1.00 90.56 C ATOM 452 O LEU E 77 38.565 -27.096 8.844 1.00 88.20 O ATOM 453 CB LEU E 77 38.859 -29.943 8.404 1.00 85.32 C ATOM 454 CG LEU E 77 39.248 -31.336 7.852 1.00 87.84 C ATOM 455 CD1 LEU E 77 38.074 -31.991 7.199 1.00 89.43 C ATOM 456 CD2 LEU E 77 40.320 -31.246 6.805 1.00 87.05 C ATOM 457 H LEU E 77 40.049 -30.194 11.053 1.00 0.00 H ATOM 458 N GLN E 78 39.619 -27.307 10.840 1.00 88.94 N ATOM 459 CA GLN E 78 39.192 -26.062 11.483 1.00 88.57 C ATOM 460 C GLN E 78 40.316 -24.965 11.534 1.00 92.63 C ATOM 461 O GLN E 78 39.950 -23.799 11.708 1.00 92.00 O ATOM 462 CB GLN E 78 38.601 -26.352 12.871 1.00 89.90 C ATOM 463 H GLN E 78 40.245 -27.923 11.397 1.00 0.00 H ATOM 464 N PRO E 79 41.653 -25.240 11.339 1.00 89.98 N ATOM 465 CA PRO E 79 42.625 -24.132 11.327 1.00 89.87 C ATOM 466 C PRO E 79 42.878 -23.539 9.938 1.00 96.48 C ATOM 467 O PRO E 79 43.017 -24.268 8.959 1.00 95.35 O ATOM 468 CB PRO E 79 43.908 -24.758 11.899 1.00 90.97 C ATOM 469 CG PRO E 79 43.747 -26.243 11.724 1.00 95.51 C ATOM 470 CD PRO E 79 42.362 -26.527 11.157 1.00 91.57 C ATOM 471 N PHE E 80 42.921 -22.211 9.855 1.00 96.10 N ATOM 472 CA PHE E 80 43.233 -21.511 8.619 1.00 97.69 C ATOM 473 C PHE E 80 44.662 -21.014 8.802 1.00 99.35 C ATOM 474 O PHE E 80 45.430 -21.619 9.555 1.00 97.80 O ATOM 475 CB PHE E 80 42.236 -20.347 8.347 1.00101.99 C ATOM 476 CG PHE E 80 40.821 -20.695 7.913 1.00108.10 C ATOM 477 CD1 PHE E 80 40.456 -22.016 7.648 1.00115.25 C ATOM 478 CD2 PHE E 80 39.855 -19.699 7.765 1.00114.63 C ATOM 479 CE1 PHE E 80 39.153 -22.334 7.246 1.00118.00 C ATOM 480 CE2 PHE E 80 38.547 -20.016 7.368 1.00119.12 C ATOM 481 CZ PHE E 80 38.205 -21.331 7.110 1.00117.73 C ATOM 482 H PHE E 80 42.723 -21.651 10.709 1.00 0.00 H ATOM 483 N VAL E 81 45.023 -19.928 8.121 1.00 95.93 N ATOM 484 CA VAL E 81 46.340 -19.314 8.235 1.00 95.92 C ATOM 485 C VAL E 81 46.238 -17.825 7.851 1.00102.44 C ATOM 486 O VAL E 81 45.868 -17.510 6.715 1.00102.52 O ATOM 487 CB VAL E 81 47.475 -20.108 7.506 1.00 99.13 C ATOM 488 CG1 VAL E 81 47.088 -20.535 6.091 1.00 98.72 C ATOM 489 CG2 VAL E 81 48.790 -19.354 7.516 1.00 98.77 C ATOM 490 H VAL E 81 44.331 -19.497 7.476 1.00 0.00 H ATOM 491 N GLY E 82 46.510 -16.949 8.830 1.00100.99 N ATOM 492 CA GLY E 82 46.504 -15.497 8.680 1.00101.77 C ATOM 493 C GLY E 82 47.185 -15.038 7.401 1.00107.74 C ATOM 494 O GLY E 82 46.578 -14.301 6.619 1.00107.96 O ATOM 495 H GLY E 82 46.743 -17.334 9.768 1.00 0.00 H ATOM 496 N ARG E 83 48.426 -15.542 7.149 1.00104.52 N ATOM 497 CA ARG E 83 49.297 -15.286 5.980 1.00126.68 C ATOM 498 C ARG E 83 49.507 -13.807 5.643 1.00174.72 C ATOM 499 O ARG E 83 50.619 -13.412 5.296 1.00141.57 O ATOM 500 CB ARG E 83 48.823 -16.050 4.725 1.00125.69 C ATOM 501 H ARG E 83 48.809 -16.188 7.869 1.00 0.00 H TER 502 ARG E 83 ATOM 503 N ILE E 91 58.039 -15.665 11.042 1.00 81.46 N ATOM 504 CA ILE E 91 57.230 -16.741 11.639 1.00 84.18 C ATOM 505 C ILE E 91 55.816 -16.865 10.947 1.00 94.19 C ATOM 506 O ILE E 91 55.563 -16.166 9.957 1.00 96.95 O ATOM 507 CB ILE E 91 57.155 -16.620 13.192 1.00 83.42 C ATOM 508 HN3 ILE E 91 57.541 -14.758 11.150 1.00 0.00 H ATOM 509 HN2 ILE E 91 58.186 -15.863 10.032 1.00 0.00 H ATOM 510 HN1 ILE E 91 58.959 -15.617 11.524 1.00 0.00 H ATOM 511 N ARG E 92 54.930 -17.778 11.429 1.00 90.05 N ATOM 512 CA ARG E 92 53.604 -18.021 10.846 1.00 89.01 C ATOM 513 C ARG E 92 52.495 -17.900 11.895 1.00 90.74 C ATOM 514 O ARG E 92 52.675 -18.366 13.008 1.00 91.60 O ATOM 515 CB ARG E 92 53.591 -19.422 10.209 1.00 88.28 C ATOM 516 CG ARG E 92 52.319 -19.769 9.463 1.00 93.98 C ATOM 517 CD ARG E 92 52.572 -20.338 8.089 1.00 94.07 C ATOM 518 NE ARG E 92 53.170 -19.365 7.164 1.00110.44 N ATOM 519 CZ ARG E 92 52.507 -18.409 6.517 1.00124.11 C ATOM 520 NH1 ARG E 92 51.213 -18.243 6.711 1.00109.98 N ATOM 521 NH2 ARG E 92 53.144 -17.599 5.687 1.00107.38 N ATOM 522 HE ARG E 92 54.195 -19.429 7.002 1.00 0.00 H ATOM 523 HH12 ARG E 92 50.703 -17.494 6.201 1.00 0.00 H ATOM 524 HH11 ARG E 92 50.703 -18.861 7.374 1.00 0.00 H ATOM 525 HH22 ARG E 92 52.621 -16.854 5.184 1.00 0.00 H ATOM 526 HH21 ARG E 92 54.167 -17.708 5.538 1.00 0.00 H ATOM 527 H ARG E 92 55.208 -18.338 12.260 1.00 0.00 H ATOM 528 N ARG E 93 51.341 -17.311 11.529 1.00 83.61 N ATOM 529 CA ARG E 93 50.178 -17.123 12.407 1.00 81.30 C ATOM 530 C ARG E 93 48.965 -17.893 11.880 1.00 82.43 C ATOM 531 O ARG E 93 48.646 -17.780 10.694 1.00 82.18 O ATOM 532 CB ARG E 93 49.842 -15.646 12.504 1.00 80.27 C ATOM 533 CG ARG E 93 51.014 -14.785 12.964 1.00 95.71 C ATOM 534 CD ARG E 93 50.703 -13.293 12.973 1.00115.91 C ATOM 535 NE ARG E 93 49.367 -12.966 13.445 1.00127.89 N ATOM 536 CZ ARG E 93 48.975 -12.976 14.723 1.00138.86 C ATOM 537 NH1 ARG E 93 47.733 -12.656 15.047 1.00122.13 N ATOM 538 NH2 ARG E 93 49.834 -13.352 15.674 1.00125.90 N ATOM 539 HE ARG E 93 48.659 -12.703 12.730 1.00 0.00 H ATOM 540 HH12 ARG E 93 47.436 -12.666 16.044 1.00 0.00 H ATOM 541 HH11 ARG E 93 47.053 -12.394 14.305 1.00 0.00 H ATOM 542 HH22 ARG E 93 49.535 -13.362 16.670 1.00 0.00 H ATOM 543 HH21 ARG E 93 50.802 -13.635 15.418 1.00 0.00 H ATOM 544 H ARG E 93 51.267 -16.963 10.552 1.00 0.00 H ATOM 545 N LEU E 94 48.278 -18.662 12.760 1.00 76.61 N ATOM 546 CA LEU E 94 47.112 -19.494 12.401 1.00 74.92 C ATOM 547 C LEU E 94 45.856 -19.111 13.174 1.00 78.04 C ATOM 548 O LEU E 94 45.972 -18.629 14.291 1.00 77.66 O ATOM 549 CB LEU E 94 47.400 -20.994 12.666 1.00 74.49 C ATOM 550 CG LEU E 94 48.819 -21.546 12.447 1.00 79.05 C ATOM 551 CD1 LEU E 94 48.907 -22.993 12.883 1.00 78.38 C ATOM 552 CD2 LEU E 94 49.268 -21.428 10.971 1.00 83.22 C ATOM 553 H LEU E 94 48.592 -18.666 13.751 1.00 0.00 H ATOM 554 N GLU E 95 44.662 -19.380 12.611 1.00 74.87 N ATOM 555 CA GLU E 95 43.364 -19.177 13.274 1.00 75.35 C ATOM 556 C GLU E 95 42.840 -20.573 13.638 1.00 78.98 C ATOM 557 O GLU E 95 42.800 -21.431 12.772 1.00 79.22 O ATOM 558 CB GLU E 95 42.380 -18.442 12.334 1.00 77.03 C ATOM 559 CG GLU E 95 40.900 -18.681 12.615 1.00 91.74 C ATOM 560 CD GLU E 95 40.028 -18.878 11.385 1.00127.97 C ATOM 561 OE1 GLU E 95 39.680 -20.041 11.066 1.00111.95 O ATOM 562 OE2 GLU E 95 39.689 -17.858 10.740 1.00138.63 O ATOM 563 H GLU E 95 44.657 -19.757 11.642 1.00 0.00 H ATOM 564 N LEU E 96 42.433 -20.819 14.873 1.00 74.70 N ATOM 565 CA LEU E 96 41.942 -22.163 15.164 1.00 74.69 C ATOM 566 C LEU E 96 40.552 -22.170 15.847 1.00 80.91 C ATOM 567 O LEU E 96 40.350 -21.522 16.876 1.00 79.66 O ATOM 568 CB LEU E 96 43.013 -22.935 15.963 1.00 74.34 C ATOM 569 CG LEU E 96 42.691 -24.318 16.533 1.00 77.89 C ATOM 570 CD1 LEU E 96 42.819 -25.412 15.477 1.00 77.47 C ATOM 571 CD2 LEU E 96 43.635 -24.636 17.647 1.00 79.48 C ATOM 572 H LEU E 96 42.462 -20.084 15.608 1.00 0.00 H ATOM 573 N LEU E 97 39.594 -22.891 15.244 1.00 80.09 N ATOM 574 CA LEU E 97 38.248 -23.026 15.796 1.00 80.98 C ATOM 575 C LEU E 97 38.271 -24.192 16.788 1.00 84.60 C ATOM 576 O LEU E 97 38.434 -25.352 16.396 1.00 83.50 O ATOM 577 CB LEU E 97 37.225 -23.236 14.686 1.00 81.50 C ATOM 578 CG LEU E 97 35.921 -22.518 14.937 1.00 87.34 C ATOM 579 CD1 LEU E 97 35.357 -21.953 13.647 1.00 87.83 C ATOM 580 CD2 LEU E 97 34.932 -23.400 15.715 1.00 90.90 C ATOM 581 H LEU E 97 39.818 -23.372 14.350 1.00 0.00 H ATOM 582 N LEU E 98 38.141 -23.860 18.074 1.00 81.21 N ATOM 583 CA LEU E 98 38.347 -24.746 19.207 1.00 80.94 C ATOM 584 C LEU E 98 37.604 -26.082 19.213 1.00 87.32 C ATOM 585 O LEU E 98 38.251 -27.090 19.511 1.00 86.24 O ATOM 586 CB LEU E 98 38.103 -24.017 20.520 1.00 80.49 C ATOM 587 CG LEU E 98 39.292 -23.201 21.084 1.00 84.26 C ATOM 588 CD1 LEU E 98 40.647 -23.675 20.552 1.00 84.49 C ATOM 589 CD2 LEU E 98 39.115 -21.724 20.875 1.00 84.23 C ATOM 590 H LEU E 98 37.868 -22.879 18.284 1.00 0.00 H ATOM 591 N SER E 99 36.291 -26.121 18.916 1.00 87.07 N ATOM 592 CA SER E 99 35.496 -27.375 18.946 1.00 88.34 C ATOM 593 C SER E 99 35.631 -28.151 20.298 1.00 94.73 C ATOM 594 O SER E 99 35.794 -27.528 21.347 1.00 95.65 O ATOM 595 CB SER E 99 35.798 -28.267 17.737 1.00 92.32 C ATOM 596 OG SER E 99 36.982 -29.028 17.910 1.00100.88 O ATOM 597 HG SER E 99 37.750 -28.417 18.039 1.00 0.00 H ATOM 598 H SER E 99 35.813 -25.235 18.654 1.00 0.00 H ATOM 599 N ALA E 100 35.583 -29.478 20.288 1.00 91.48 N ATOM 600 CA ALA E 100 35.727 -30.205 21.542 1.00 91.68 C ATOM 601 C ALA E 100 36.781 -31.272 21.383 1.00 97.19 C ATOM 602 O ALA E 100 36.573 -32.224 20.619 1.00 98.13 O ATOM 603 CB ALA E 100 34.400 -30.823 21.941 1.00 92.51 C ATOM 604 H ALA E 100 35.444 -29.992 19.395 1.00 0.00 H ATOM 605 N GLY E 101 37.915 -31.093 22.062 1.00 93.10 N ATOM 606 CA GLY E 101 39.021 -32.048 21.983 1.00 92.60 C ATOM 607 C GLY E 101 40.323 -31.541 21.389 1.00 93.82 C ATOM 608 O GLY E 101 41.309 -32.287 21.331 1.00 91.37 O ATOM 609 H GLY E 101 38.016 -30.251 22.664 1.00 0.00 H ATOM 610 N ASP E 102 40.345 -30.253 20.989 1.00 90.72 N ATOM 611 CA ASP E 102 41.546 -29.593 20.486 1.00 91.02 C ATOM 612 C ASP E 102 42.501 -29.226 21.623 1.00 93.31 C ATOM 613 O ASP E 102 43.560 -28.640 21.364 1.00 93.91 O ATOM 614 CB ASP E 102 41.209 -28.384 19.611 1.00 93.97 C ATOM 615 CG ASP E 102 40.794 -28.794 18.211 1.00118.60 C ATOM 616 OD1 ASP E 102 41.624 -28.650 17.272 1.00120.66 O ATOM 617 OD2 ASP E 102 39.652 -29.286 18.050 1.00130.52 O ATOM 618 H ASP E 102 39.464 -29.703 21.041 1.00 0.00 H ATOM 619 N SER E 103 42.126 -29.594 22.883 1.00 86.34 N ATOM 620 CA SER E 103 42.924 -29.439 24.095 1.00 83.78 C ATOM 621 C SER E 103 44.184 -30.228 23.844 1.00 82.47 C ATOM 622 O SER E 103 44.122 -31.371 23.384 1.00 80.25 O ATOM 623 CB SER E 103 42.185 -29.992 25.308 1.00 86.96 C ATOM 624 OG SER E 103 41.191 -29.089 25.761 1.00 95.50 O ATOM 625 HG SER E 103 40.730 -29.475 26.547 1.00 0.00 H ATOM 626 H SER E 103 41.185 -30.024 22.989 1.00 0.00 H ATOM 627 N GLY E 104 45.300 -29.545 24.010 1.00 77.74 N ATOM 628 CA GLY E 104 46.624 -30.076 23.747 1.00 76.97 C ATOM 629 C GLY E 104 47.677 -29.004 23.607 1.00 79.46 C ATOM 630 O GLY E 104 47.374 -27.810 23.555 1.00 77.21 O ATOM 631 H GLY E 104 45.226 -28.565 24.351 1.00 0.00 H ATOM 632 N THR E 105 48.926 -29.441 23.564 1.00 77.83 N ATOM 633 CA THR E 105 50.084 -28.569 23.415 1.00 78.38 C ATOM 634 C THR E 105 50.379 -28.484 21.930 1.00 77.98 C ATOM 635 O THR E 105 50.473 -29.510 21.280 1.00 77.35 O ATOM 636 CB THR E 105 51.288 -29.102 24.257 1.00101.05 C ATOM 637 OG1 THR E 105 50.855 -29.459 25.587 1.00103.73 O ATOM 638 CG2 THR E 105 52.453 -28.093 24.337 1.00102.72 C ATOM 639 HG1 THR E 105 51.629 -29.794 26.106 1.00 0.00 H ATOM 640 H THR E 105 49.090 -30.465 23.641 1.00 0.00 H ATOM 641 N PHE E 106 50.453 -27.273 21.397 1.00 72.79 N ATOM 642 CA PHE E 106 50.740 -26.993 20.002 1.00 72.44 C ATOM 643 C PHE E 106 52.182 -26.564 19.852 1.00 79.81 C ATOM 644 O PHE E 106 52.592 -25.555 20.416 1.00 78.63 O ATOM 645 CB PHE E 106 49.801 -25.910 19.469 1.00 73.04 C ATOM 646 CG PHE E 106 48.438 -26.431 19.107 1.00 72.96 C ATOM 647 CD1 PHE E 106 48.143 -26.797 17.805 1.00 73.91 C ATOM 648 CD2 PHE E 106 47.434 -26.513 20.060 1.00 74.64 C ATOM 649 CE1 PHE E 106 46.883 -27.281 17.470 1.00 74.40 C ATOM 650 CE2 PHE E 106 46.166 -26.984 19.720 1.00 76.79 C ATOM 651 CZ PHE E 106 45.899 -27.359 18.426 1.00 74.22 C ATOM 652 H PHE E 106 50.293 -26.461 22.027 1.00 0.00 H ATOM 653 N PHE E 107 52.957 -27.333 19.114 1.00 80.20 N ATOM 654 CA PHE E 107 54.351 -26.989 18.935 1.00 82.75 C ATOM 655 C PHE E 107 54.551 -26.284 17.617 1.00 94.51 C ATOM 656 O PHE E 107 53.740 -26.447 16.715 1.00 94.73 O ATOM 657 CB PHE E 107 55.215 -28.250 18.995 1.00 84.43 C ATOM 658 CG PHE E 107 55.043 -29.049 20.258 1.00 85.89 C ATOM 659 CD1 PHE E 107 54.356 -30.251 20.248 1.00 88.93 C ATOM 660 CD2 PHE E 107 55.569 -28.599 21.457 1.00 89.02 C ATOM 661 CE1 PHE E 107 54.193 -30.992 21.412 1.00 90.34 C ATOM 662 CE2 PHE E 107 55.401 -29.335 22.626 1.00 92.64 C ATOM 663 CZ PHE E 107 54.716 -30.531 22.594 1.00 90.85 C ATOM 664 H PHE E 107 52.568 -28.185 18.662 1.00 0.00 H ATOM 665 N CYS E 108 55.622 -25.506 17.497 1.00 97.44 N ATOM 666 CA CYS E 108 55.955 -24.858 16.244 1.00100.96 C ATOM 667 C CYS E 108 57.424 -25.162 15.907 1.00108.07 C ATOM 668 O CYS E 108 58.252 -24.253 15.833 1.00107.70 O ATOM 669 CB CYS E 108 55.657 -23.361 16.279 1.00103.27 C ATOM 670 SG CYS E 108 55.810 -22.549 14.664 1.00108.74 S ATOM 671 H CYS E 108 56.237 -25.359 18.323 1.00 0.00 H ATOM 672 N LYS E 109 57.739 -26.475 15.735 1.00107.23 N ATOM 673 CA LYS E 109 59.078 -27.018 15.430 1.00108.04 C ATOM 674 C LYS E 109 59.693 -26.432 14.155 1.00114.74 C ATOM 675 O LYS E 109 59.187 -26.662 13.059 1.00113.54 O ATOM 676 CB LYS E 109 59.074 -28.571 15.378 1.00109.95 C ATOM 677 CG LYS E 109 59.095 -29.291 16.739 1.00117.25 C ATOM 678 CD LYS E 109 60.467 -29.235 17.434 1.00119.53 C ATOM 679 CE LYS E 109 60.589 -30.170 18.611 1.00115.80 C ATOM 680 NZ LYS E 109 61.953 -30.108 19.201 1.00114.34 N ATOM 681 HZ1 LYS E 109 62.653 -30.382 18.482 1.00 0.00 H ATOM 682 HZ2 LYS E 109 62.146 -29.138 19.523 1.00 0.00 H ATOM 683 HZ3 LYS E 109 62.010 -30.761 20.009 1.00 0.00 H ATOM 684 H LYS E 109 56.963 -27.161 15.827 1.00 0.00 H ATOM 685 N GLY E 110 60.773 -25.676 14.330 1.00114.70 N ATOM 686 CA GLY E 110 61.498 -25.033 13.244 1.00116.59 C ATOM 687 C GLY E 110 62.705 -25.824 12.787 1.00126.98 C ATOM 688 O GLY E 110 62.595 -27.017 12.482 1.00126.63 O ATOM 689 H GLY E 110 61.120 -25.536 15.300 1.00 0.00 H ATOM 690 N ARG E 111 63.866 -25.168 12.731 1.00128.69 N ATOM 691 CA ARG E 111 65.092 -25.818 12.301 1.00130.50 C ATOM 692 C ARG E 111 65.981 -26.123 13.485 1.00137.88 C ATOM 693 O ARG E 111 66.163 -25.259 14.336 1.00141.00 O ATOM 694 CB ARG E 111 65.830 -24.937 11.288 1.00132.19 C ATOM 695 H ARG E 111 63.894 -24.164 13.003 1.00 0.00 H ATOM 696 N HIS E 112 66.562 -27.337 13.523 1.00136.67 N ATOM 697 CA HIS E 112 67.483 -27.836 14.555 1.00138.64 C ATOM 698 C HIS E 112 66.899 -27.667 15.968 1.00142.67 C ATOM 699 O HIS E 112 67.493 -26.970 16.797 1.00144.12 O ATOM 700 CB HIS E 112 68.876 -27.158 14.462 1.00140.36 C ATOM 701 CG HIS E 112 69.557 -27.228 13.132 1.00144.42 C ATOM 702 ND1 HIS E 112 70.399 -28.283 12.804 1.00147.35 N ATOM 703 CD2 HIS E 112 69.582 -26.324 12.125 1.00148.43 C ATOM 704 CE1 HIS E 112 70.884 -28.004 11.599 1.00147.86 C ATOM 705 NE2 HIS E 112 70.417 -26.840 11.142 1.00148.58 N ATOM 706 H HIS E 112 66.337 -27.988 12.744 1.00 0.00 H ATOM 707 N GLU E 113 65.721 -28.275 16.228 1.00135.86 N ATOM 708 CA GLU E 113 65.008 -28.209 17.524 1.00134.56 C ATOM 709 C GLU E 113 64.648 -26.778 17.964 1.00132.05 C ATOM 710 O GLU E 113 64.645 -26.493 19.156 1.00131.13 O ATOM 711 CB GLU E 113 65.775 -28.956 18.643 1.00136.36 C ATOM 712 H GLU E 113 65.284 -28.829 15.464 1.00 0.00 H ATOM 713 N ASP E 114 64.335 -25.893 17.000 1.00125.67 N ATOM 714 CA ASP E 114 63.936 -24.505 17.244 1.00124.26 C ATOM 715 C ASP E 114 62.419 -24.500 17.446 1.00123.24 C ATOM 716 O ASP E 114 61.667 -23.995 16.610 1.00122.69 O ATOM 717 CB ASP E 114 64.363 -23.608 16.063 1.00126.83 C ATOM 718 CG ASP E 114 64.284 -22.111 16.296 1.00142.77 C ATOM 719 OD1 ASP E 114 63.381 -21.469 15.718 1.00145.65 O ATOM 720 OD2 ASP E 114 65.152 -21.573 17.028 1.00146.08 O ATOM 721 H ASP E 114 64.379 -26.217 16.013 1.00 0.00 H ATOM 722 N GLU E 115 61.978 -25.107 18.556 1.00115.68 N ATOM 723 CA GLU E 115 60.576 -25.259 18.922 1.00113.50 C ATOM 724 C GLU E 115 59.961 -23.957 19.426 1.00113.81 C ATOM 725 O GLU E 115 60.685 -23.004 19.712 1.00113.54 O ATOM 726 CB GLU E 115 60.438 -26.365 19.981 1.00114.75 C ATOM 727 H GLU E 115 62.690 -25.499 19.205 1.00 0.00 H ATOM 728 N SER E 116 58.615 -23.924 19.521 1.00107.52 N ATOM 729 CA SER E 116 57.815 -22.818 20.043 1.00105.88 C ATOM 730 C SER E 116 56.437 -23.323 20.465 1.00105.58 C ATOM 731 O SER E 116 55.441 -23.098 19.778 1.00105.12 O ATOM 732 CB SER E 116 57.703 -21.678 19.038 1.00110.56 C ATOM 733 OG SER E 116 56.852 -20.673 19.568 1.00123.23 O ATOM 734 HG SER E 116 55.956 -21.057 19.738 1.00 0.00 H ATOM 735 H SER E 116 58.099 -24.765 19.192 1.00 0.00 H ATOM 736 N ARG E 117 56.401 -24.007 21.610 1.00 99.41 N ATOM 737 CA ARG E 117 55.205 -24.592 22.208 1.00 97.76 C ATOM 738 C ARG E 117 54.185 -23.554 22.704 1.00 96.35 C ATOM 739 O ARG E 117 54.557 -22.470 23.168 1.00 96.11 O ATOM 740 CB ARG E 117 55.568 -25.596 23.326 1.00100.05 C ATOM 741 CG ARG E 117 56.763 -25.206 24.209 1.00119.99 C ATOM 742 CD ARG E 117 57.506 -26.427 24.756 1.00141.71 C ATOM 743 NE ARG E 117 58.518 -26.076 25.763 1.00154.99 N ATOM 744 CZ ARG E 117 58.567 -26.575 26.998 1.00169.76 C ATOM 745 NH1 ARG E 117 57.662 -27.465 27.397 1.00157.24 N ATOM 746 NH2 ARG E 117 59.516 -26.193 27.840 1.00157.02 N ATOM 747 HE ARG E 117 59.249 -25.388 25.492 1.00 0.00 H ATOM 748 HH12 ARG E 117 57.703 -27.852 28.361 1.00 0.00 H ATOM 749 HH11 ARG E 117 56.913 -27.774 26.745 1.00 0.00 H ATOM 750 HH22 ARG E 117 59.547 -26.587 28.802 1.00 0.00 H ATOM 751 HH21 ARG E 117 60.230 -25.499 27.539 1.00 0.00 H ATOM 752 H ARG E 117 57.299 -24.134 22.118 1.00 0.00 H ATOM 753 N THR E 118 52.892 -23.909 22.579 1.00 88.29 N ATOM 754 CA THR E 118 51.712 -23.148 22.999 1.00 85.71 C ATOM 755 C THR E 118 50.746 -24.140 23.662 1.00 83.76 C ATOM 756 O THR E 118 50.360 -25.112 23.025 1.00 83.37 O ATOM 757 CB THR E 118 51.075 -22.398 21.798 1.00 91.32 C ATOM 758 OG1 THR E 118 51.978 -21.389 21.336 1.00 91.89 O ATOM 759 CG2 THR E 118 49.722 -21.752 22.142 1.00 87.33 C ATOM 760 HG1 THR E 118 51.572 -20.910 20.570 1.00 0.00 H ATOM 761 H THR E 118 52.710 -24.830 22.132 1.00 0.00 H ATOM 762 N VAL E 119 50.372 -23.907 24.928 1.00 75.77 N ATOM 763 CA VAL E 119 49.445 -24.774 25.653 1.00 73.33 C ATOM 764 C VAL E 119 48.049 -24.317 25.328 1.00 73.17 C ATOM 765 O VAL E 119 47.815 -23.124 25.235 1.00 71.77 O ATOM 766 CB VAL E 119 49.657 -24.778 27.184 1.00 77.06 C ATOM 767 CG1 VAL E 119 48.942 -25.961 27.827 1.00 76.69 C ATOM 768 CG2 VAL E 119 51.137 -24.789 27.554 1.00 77.15 C ATOM 769 H VAL E 119 50.758 -23.073 25.415 1.00 0.00 H ATOM 770 N LEU E 120 47.130 -25.268 25.125 1.00 68.62 N ATOM 771 CA LEU E 120 45.730 -24.993 24.845 1.00 67.62 C ATOM 772 C LEU E 120 44.834 -25.909 25.629 1.00 72.52 C ATOM 773 O LEU E 120 45.079 -27.121 25.682 1.00 70.08 O ATOM 774 CB LEU E 120 45.418 -25.081 23.367 1.00 67.29 C ATOM 775 CG LEU E 120 44.026 -24.642 22.997 1.00 71.77 C ATOM 776 CD1 LEU E 120 43.920 -23.118 22.940 1.00 71.71 C ATOM 777 CD2 LEU E 120 43.582 -25.318 21.729 1.00 74.05 C ATOM 778 H LEU E 120 47.435 -26.261 25.170 1.00 0.00 H ATOM 779 N HIS E 121 43.805 -25.304 26.273 1.00 72.94 N ATOM 780 CA HIS E 121 42.818 -25.994 27.097 1.00 74.54 C ATOM 781 C HIS E 121 41.425 -25.468 26.821 1.00 82.91 C ATOM 782 O HIS E 121 41.177 -24.275 26.983 1.00 83.24 O ATOM 783 CB HIS E 121 43.164 -25.901 28.589 1.00 75.55 C ATOM 784 CG HIS E 121 42.228 -26.669 29.468 1.00 80.03 C ATOM 785 ND1 HIS E 121 41.763 -26.138 30.668 1.00 82.22 N ATOM 786 CD2 HIS E 121 41.674 -27.896 29.292 1.00 82.77 C ATOM 787 CE1 HIS E 121 40.960 -27.056 31.188 1.00 81.90 C ATOM 788 NE2 HIS E 121 40.864 -28.129 30.400 1.00 82.61 N ATOM 789 H HIS E 121 43.713 -24.273 26.172 1.00 0.00 H ATOM 790 N VAL E 122 40.523 -26.355 26.366 1.00 82.14 N ATOM 791 CA VAL E 122 39.126 -26.000 26.083 1.00 82.88 C ATOM 792 C VAL E 122 38.283 -26.457 27.275 1.00 88.86 C ATOM 793 O VAL E 122 38.597 -27.498 27.845 1.00 87.20 O ATOM 794 CB VAL E 122 38.593 -26.449 24.678 1.00 87.01 C ATOM 795 CG1 VAL E 122 39.619 -26.200 23.579 1.00 86.37 C ATOM 796 CG2 VAL E 122 38.149 -27.909 24.651 1.00 87.36 C ATOM 797 H VAL E 122 40.828 -27.337 26.207 1.00 0.00 H ATOM 798 N LEU E 123 37.281 -25.673 27.703 1.00 90.34 N ATOM 799 CA LEU E 123 36.478 -26.047 28.883 1.00 93.29 C ATOM 800 C LEU E 123 35.606 -27.301 28.632 1.00105.11 C ATOM 801 O LEU E 123 34.699 -27.243 27.791 1.00105.81 O ATOM 802 CB LEU E 123 35.647 -24.862 29.425 1.00 93.08 C ATOM 803 H LEU E 123 37.068 -24.790 27.196 1.00 0.00 H ATOM 804 N GLY E 124 35.932 -28.423 29.307 1.00105.50 N ATOM 805 CA GLY E 124 35.205 -29.684 29.151 1.00107.27 C ATOM 806 C GLY E 124 35.989 -30.988 29.078 1.00116.63 C ATOM 807 O GLY E 124 37.043 -31.083 28.439 1.00114.96 O ATOM 808 H GLY E 124 36.735 -28.390 29.967 1.00 0.00 H ATOM 809 N ASP E 125 35.404 -32.030 29.693 1.00119.31 N ATOM 810 CA ASP E 125 35.925 -33.392 29.793 1.00121.91 C ATOM 811 C ASP E 125 34.963 -34.433 29.179 1.00133.07 C ATOM 812 O ASP E 125 34.050 -34.931 29.861 1.00131.19 O ATOM 813 CB ASP E 125 36.225 -33.738 31.264 1.00123.47 C ATOM 814 CG ASP E 125 37.603 -34.318 31.494 1.00132.30 C ATOM 815 OD1 ASP E 125 38.573 -33.534 31.550 1.00133.23 O ATOM 816 OD2 ASP E 125 37.710 -35.554 31.635 1.00136.83 O ATOM 817 H ASP E 125 34.485 -31.848 30.145 1.00 0.00 H ATOM 818 N ARG E 126 35.183 -34.745 27.874 1.00135.93 N ATOM 819 CA ARG E 126 34.447 -35.748 27.110 1.00138.31 C ATOM 820 C ARG E 126 35.184 -37.067 27.327 1.00149.82 C ATOM 821 O ARG E 126 36.239 -37.307 26.735 1.00149.60 O ATOM 822 CB ARG E 126 34.381 -35.363 25.630 1.00138.27 C ATOM 823 H ARG E 126 35.937 -34.227 27.380 1.00 0.00 H ATOM 824 N THR E 127 34.662 -37.872 28.271 1.00153.06 N ATOM 825 CA THR E 127 35.220 -39.154 28.718 1.00156.44 C ATOM 826 C THR E 127 34.215 -40.329 28.595 1.00170.65 C ATOM 827 O THR E 127 34.453 -41.402 29.156 1.00172.33 O ATOM 828 CB THR E 127 35.799 -38.999 30.147 1.00163.10 C ATOM 829 OG1 THR E 127 36.469 -40.201 30.527 1.00164.87 O ATOM 830 CG2 THR E 127 34.739 -38.636 31.189 1.00165.90 C ATOM 831 HG1 THR E 127 35.827 -40.954 30.512 1.00 0.00 H ATOM 832 H THR E 127 33.782 -37.556 28.726 1.00 0.00 H ATOM 833 N TYR E 128 33.113 -40.130 27.844 1.00171.94 N ATOM 834 CA TYR E 128 32.079 -41.145 27.618 1.00172.62 C ATOM 835 C TYR E 128 32.332 -41.942 26.326 1.00182.61 C ATOM 836 O TYR E 128 32.495 -41.343 25.258 1.00182.37 O ATOM 837 CB TYR E 128 30.686 -40.494 27.592 1.00173.54 C ATOM 838 H TYR E 128 32.989 -39.199 27.397 1.00 0.00 H ATOM 839 N CYS E 129 32.362 -43.288 26.430 1.00182.82 N ATOM 840 CA CYS E 129 32.577 -44.200 25.303 1.00256.76 C ATOM 841 C CYS E 129 31.259 -44.532 24.614 1.00298.83 C ATOM 842 O CYS E 129 30.517 -43.632 24.231 1.00258.13 O ATOM 843 CB CYS E 129 33.304 -45.464 25.753 1.00257.35 C ATOM 844 SG CYS E 129 35.082 -45.245 26.017 1.00260.80 S ATOM 845 H CYS E 129 32.223 -43.705 27.372 1.00 0.00 H TER 846 CYS E 129 ATOM 847 N PRO F 19 71.939 -56.953 13.282 1.00128.72 N ATOM 848 CA PRO F 19 71.071 -57.227 12.124 1.00127.14 C ATOM 849 C PRO F 19 70.604 -55.947 11.395 1.00129.67 C ATOM 850 O PRO F 19 71.012 -54.841 11.777 1.00130.14 O ATOM 851 CB PRO F 19 69.910 -58.008 12.759 1.00129.63 C ATOM 852 CG PRO F 19 69.865 -57.537 14.214 1.00133.81 C ATOM 853 CD PRO F 19 71.155 -56.809 14.524 1.00129.22 C ATOM 854 HN2 PRO F 19 72.465 -56.072 13.110 1.00 0.00 H ATOM 855 HN1 PRO F 19 72.610 -57.739 13.395 1.00 0.00 H ATOM 856 N GLY F 20 69.757 -56.102 10.368 1.00122.91 N ATOM 857 CA GLY F 20 69.204 -54.972 9.620 1.00121.03 C ATOM 858 C GLY F 20 68.667 -55.334 8.251 1.00119.67 C ATOM 859 O GLY F 20 69.096 -56.337 7.684 1.00120.31 O ATOM 860 H GLY F 20 69.481 -57.066 10.091 1.00 0.00 H ATOM 861 N ALA F 21 67.727 -54.526 7.703 1.00110.03 N ATOM 862 CA ALA F 21 67.120 -54.775 6.385 1.00107.03 C ATOM 863 C ALA F 21 67.410 -53.646 5.415 1.00106.93 C ATOM 864 O ALA F 21 66.985 -52.524 5.647 1.00106.33 O ATOM 865 CB ALA F 21 65.619 -54.971 6.521 1.00107.52 C ATOM 866 H ALA F 21 67.420 -53.690 8.239 1.00 0.00 H ATOM 867 N SER F 22 68.137 -53.935 4.330 1.00101.91 N ATOM 868 CA SER F 22 68.487 -52.947 3.302 1.00100.73 C ATOM 869 C SER F 22 67.901 -53.333 1.945 1.00102.08 C ATOM 870 O SER F 22 68.233 -54.377 1.370 1.00101.73 O ATOM 871 CB SER F 22 69.995 -52.736 3.218 1.00104.21 C ATOM 872 OG SER F 22 70.281 -51.590 2.433 1.00111.79 O ATOM 873 HG SER F 22 71.261 -51.461 2.384 1.00 0.00 H ATOM 874 H SER F 22 68.472 -54.912 4.208 1.00 0.00 H ATOM 875 N LEU F 23 67.006 -52.485 1.452 1.00 96.33 N ATOM 876 CA LEU F 23 66.282 -52.727 0.221 1.00 94.72 C ATOM 877 C LEU F 23 66.616 -51.769 -0.907 1.00100.10 C ATOM 878 O LEU F 23 67.154 -50.677 -0.693 1.00 99.31 O ATOM 879 CB LEU F 23 64.776 -52.705 0.516 1.00 93.79 C ATOM 880 CG LEU F 23 64.038 -54.013 0.331 1.00 96.94 C ATOM 881 CD1 LEU F 23 64.419 -55.034 1.392 1.00 96.67 C ATOM 882 CD2 LEU F 23 62.564 -53.789 0.358 1.00 97.67 C ATOM 883 H LEU F 23 66.816 -51.606 1.974 1.00 0.00 H ATOM 884 N ASP F 24 66.309 -52.226 -2.131 1.00 98.07 N ATOM 885 CA ASP F 24 66.445 -51.498 -3.389 1.00 97.62 C ATOM 886 C ASP F 24 65.349 -51.911 -4.343 1.00 97.88 C ATOM 887 O ASP F 24 65.114 -53.098 -4.553 1.00 95.81 O ATOM 888 CB ASP F 24 67.843 -51.613 -4.022 1.00 99.96 C ATOM 889 CG ASP F 24 68.519 -52.954 -3.868 1.00119.16 C ATOM 890 OD1 ASP F 24 69.769 -52.982 -3.821 1.00122.63 O ATOM 891 OD2 ASP F 24 67.801 -53.981 -3.797 1.00126.33 O ATOM 892 H ASP F 24 65.937 -53.196 -2.189 1.00 0.00 H ATOM 893 N GLY F 25 64.631 -50.913 -4.827 1.00 94.17 N ATOM 894 CA GLY F 25 63.534 -51.071 -5.765 1.00 94.16 C ATOM 895 C GLY F 25 63.568 -50.006 -6.839 1.00 98.19 C ATOM 896 O GLY F 25 64.619 -49.419 -7.109 1.00 98.67 O ATOM 897 H GLY F 25 64.868 -49.949 -4.515 1.00 0.00 H ATOM 898 N ARG F 26 62.427 -49.759 -7.472 1.00 93.34 N ATOM 899 CA ARG F 26 62.324 -48.749 -8.518 1.00 92.48 C ATOM 900 C ARG F 26 60.921 -48.124 -8.471 1.00 94.71 C ATOM 901 O ARG F 26 60.058 -48.709 -7.817 1.00 93.93 O ATOM 902 CB ARG F 26 62.686 -49.354 -9.901 1.00 93.80 C ATOM 903 CG ARG F 26 61.740 -50.431 -10.444 1.00105.45 C ATOM 904 CD ARG F 26 62.326 -51.239 -11.598 1.00107.22 C ATOM 905 NE ARG F 26 61.499 -52.409 -11.901 1.00111.96 N ATOM 906 CZ ARG F 26 60.774 -52.557 -13.006 1.00135.32 C ATOM 907 NH1 ARG F 26 60.793 -51.624 -13.951 1.00125.24 N ATOM 908 NH2 ARG F 26 60.064 -53.661 -13.197 1.00129.74 N ATOM 909 HE ARG F 26 61.477 -53.179 -11.202 1.00 0.00 H ATOM 910 HH12 ARG F 26 60.224 -51.745 -14.813 1.00 0.00 H ATOM 911 HH11 ARG F 26 61.377 -50.772 -13.829 1.00 0.00 H ATOM 912 HH22 ARG F 26 59.499 -53.772 -14.063 1.00 0.00 H ATOM 913 HH21 ARG F 26 60.073 -54.415 -12.481 1.00 0.00 H ATOM 914 H ARG F 26 61.580 -50.304 -7.213 1.00 0.00 H ATOM 915 N PRO F 27 60.647 -46.941 -9.089 1.00 90.56 N ATOM 916 CA PRO F 27 59.277 -46.394 -9.034 1.00 90.18 C ATOM 917 C PRO F 27 58.256 -47.343 -9.681 1.00 95.52 C ATOM 918 O PRO F 27 58.605 -48.116 -10.581 1.00 94.83 O ATOM 919 CB PRO F 27 59.389 -45.074 -9.805 1.00 91.42 C ATOM 920 CG PRO F 27 60.841 -44.749 -9.811 1.00 95.59 C ATOM 921 CD PRO F 27 61.524 -46.066 -9.893 1.00 91.47 C ATOM 922 N GLY F 28 57.024 -47.319 -9.178 1.00 92.97 N ATOM 923 CA GLY F 28 55.941 -48.174 -9.659 1.00 92.70 C ATOM 924 C GLY F 28 55.928 -49.564 -9.047 1.00 95.64 C ATOM 925 O GLY F 28 55.007 -50.346 -9.314 1.00 95.57 O ATOM 926 H GLY F 28 56.821 -46.657 -8.402 1.00 0.00 H ATOM 927 N ASP F 29 56.966 -49.888 -8.234 1.00 90.29 N ATOM 928 CA ASP F 29 57.112 -51.167 -7.541 1.00 89.22 C ATOM 929 C ASP F 29 56.420 -51.010 -6.217 1.00 92.25 C ATOM 930 O ASP F 29 55.934 -49.924 -5.918 1.00 93.28 O ATOM 931 CB ASP F 29 58.599 -51.509 -7.302 1.00 91.36 C ATOM 932 CG ASP F 29 59.434 -52.080 -8.462 1.00106.63 C ATOM 933 OD1 ASP F 29 58.929 -52.103 -9.628 1.00108.14 O ATOM 934 OD2 ASP F 29 60.596 -52.499 -8.209 1.00109.77 O ATOM 935 H ASP F 29 57.710 -49.175 -8.094 1.00 0.00 H ATOM 936 N ARG F 30 56.348 -52.084 -5.430 1.00 86.80 N ATOM 937 CA ARG F 30 55.727 -52.086 -4.105 1.00 85.67 C ATOM 938 C ARG F 30 56.390 -53.136 -3.238 1.00 90.75 C ATOM 939 O ARG F 30 56.540 -54.281 -3.668 1.00 90.88 O ATOM 940 CB ARG F 30 54.189 -52.228 -4.146 1.00 83.86 C ATOM 941 CG ARG F 30 53.643 -53.139 -5.248 1.00 92.13 C ATOM 942 CD ARG F 30 52.139 -53.377 -5.168 1.00 94.33 C ATOM 943 NE ARG F 30 51.336 -52.207 -5.533 1.00 90.94 N ATOM 944 CZ ARG F 30 51.031 -51.858 -6.779 1.00100.69 C ATOM 945 NH1 ARG F 30 51.476 -52.580 -7.804 1.00 89.01 N ATOM 946 NH2 ARG F 30 50.276 -50.792 -7.012 1.00 81.70 N ATOM 947 HE ARG F 30 50.979 -51.607 -4.762 1.00 0.00 H ATOM 948 HH12 ARG F 30 51.236 -52.304 -8.778 1.00 0.00 H ATOM 949 HH11 ARG F 30 52.064 -53.420 -7.632 1.00 0.00 H ATOM 950 HH22 ARG F 30 50.041 -50.525 -7.989 1.00 0.00 H ATOM 951 HH21 ARG F 30 49.919 -50.224 -6.217 1.00 0.00 H ATOM 952 H ARG F 30 56.758 -52.974 -5.779 1.00 0.00 H ATOM 953 N VAL F 31 56.864 -52.728 -2.049 1.00 87.77 N ATOM 954 CA VAL F 31 57.584 -53.611 -1.130 1.00 87.57 C ATOM 955 C VAL F 31 57.029 -53.548 0.271 1.00 92.92 C ATOM 956 O VAL F 31 56.599 -52.484 0.712 1.00 92.71 O ATOM 957 CB VAL F 31 59.118 -53.396 -1.145 1.00 91.09 C ATOM 958 CG1 VAL F 31 59.767 -54.071 -2.350 1.00 90.54 C ATOM 959 CG2 VAL F 31 59.489 -51.916 -1.056 1.00 90.89 C ATOM 960 H VAL F 31 56.712 -51.738 -1.768 1.00 0.00 H ATOM 961 N ASP F 32 57.059 -54.694 0.971 1.00 90.68 N ATOM 962 CA ASP F 32 56.545 -54.851 2.325 1.00 91.21 C ATOM 963 C ASP F 32 57.591 -54.473 3.356 1.00 95.20 C ATOM 964 O ASP F 32 58.745 -54.880 3.241 1.00 94.59 O ATOM 965 CB ASP F 32 56.067 -56.303 2.557 1.00 94.07 C ATOM 966 CG ASP F 32 54.960 -56.828 1.638 1.00111.25 C ATOM 967 OD1 ASP F 32 54.105 -56.018 1.202 1.00112.08 O ATOM 968 OD2 ASP F 32 54.930 -58.058 1.383 1.00120.66 O ATOM 969 H ASP F 32 57.479 -55.528 0.514 1.00 0.00 H ATOM 970 N LEU F 33 57.173 -53.706 4.375 1.00 92.69 N ATOM 971 CA LEU F 33 57.995 -53.254 5.507 1.00 92.57 C ATOM 972 C LEU F 33 57.338 -53.712 6.802 1.00 99.45 C ATOM 973 O LEU F 33 56.107 -53.673 6.910 1.00 99.37 O ATOM 974 CB LEU F 33 58.101 -51.726 5.531 1.00 91.99 C ATOM 975 CG LEU F 33 58.716 -51.070 4.323 1.00 95.52 C ATOM 976 CD1 LEU F 33 57.670 -50.358 3.532 1.00 95.33 C ATOM 977 CD2 LEU F 33 59.779 -50.101 4.736 1.00 97.08 C ATOM 978 H LEU F 33 56.178 -53.404 4.363 1.00 0.00 H ATOM 979 N SER F 34 58.142 -54.109 7.800 1.00 98.12 N ATOM 980 CA SER F 34 57.593 -54.582 9.075 1.00 98.98 C ATOM 981 C SER F 34 58.445 -54.219 10.295 1.00104.12 C ATOM 982 O SER F 34 59.383 -53.424 10.186 1.00103.08 O ATOM 983 CB SER F 34 57.396 -56.094 9.010 1.00103.53 C ATOM 984 OG SER F 34 58.631 -56.756 8.787 1.00113.30 O ATOM 985 HG SER F 34 58.478 -57.733 8.749 1.00 0.00 H ATOM 986 H SER F 34 59.173 -54.081 7.667 1.00 0.00 H ATOM 987 N CYS F 35 58.098 -54.812 11.464 1.00102.50 N ATOM 988 CA CYS F 35 58.820 -54.684 12.734 1.00103.26 C ATOM 989 C CYS F 35 58.592 -55.877 13.678 1.00111.30 C ATOM 990 O CYS F 35 57.479 -56.066 14.181 1.00111.73 O ATOM 991 CB CYS F 35 58.563 -53.349 13.440 1.00102.83 C ATOM 992 SG CYS F 35 56.955 -52.578 13.092 1.00106.07 S ATOM 993 H CYS F 35 57.246 -55.409 11.460 1.00 0.00 H ATOM 994 N GLY F 36 59.656 -56.645 13.924 1.00110.05 N ATOM 995 CA GLY F 36 59.639 -57.768 14.861 1.00111.23 C ATOM 996 C GLY F 36 59.517 -57.305 16.308 1.00117.97 C ATOM 997 O GLY F 36 58.868 -57.958 17.140 1.00117.33 O ATOM 998 H GLY F 36 60.543 -56.434 13.423 1.00 0.00 H ATOM 999 N GLY F 37 60.146 -56.165 16.592 1.00116.45 N ATOM 1000 CA GLY F 37 60.117 -55.521 17.897 1.00117.06 C ATOM 1001 C GLY F 37 58.889 -54.645 18.032 1.00121.78 C ATOM 1002 O GLY F 37 58.897 -53.471 17.636 1.00120.87 O ATOM 1003 H GLY F 37 60.691 -55.707 15.834 1.00 0.00 H ATOM 1004 N VAL F 38 57.812 -55.244 18.559 1.00118.87 N ATOM 1005 CA VAL F 38 56.527 -54.596 18.787 1.00145.66 C ATOM 1006 C VAL F 38 56.539 -53.915 20.154 1.00152.28 C ATOM 1007 O VAL F 38 56.911 -54.531 21.152 1.00109.97 O ATOM 1008 CB VAL F 38 55.378 -55.621 18.661 1.00149.62 C ATOM 1009 H VAL F 38 57.900 -56.246 18.825 1.00 0.00 H TER 1010 VAL F 38 ATOM 1011 N ARG F 43 50.138 -49.149 19.831 1.00113.30 N ATOM 1012 CA ARG F 43 51.043 -48.355 20.676 1.00112.24 C ATOM 1013 C ARG F 43 52.366 -47.921 19.935 1.00113.29 C ATOM 1014 O ARG F 43 53.182 -47.186 20.518 1.00113.94 O ATOM 1015 CB ARG F 43 51.335 -49.090 22.018 1.00110.12 C ATOM 1016 HN3 ARG F 43 50.624 -50.015 19.523 1.00 0.00 H ATOM 1017 HN2 ARG F 43 49.863 -48.590 18.999 1.00 0.00 H ATOM 1018 HN1 ARG F 43 49.289 -49.402 20.376 1.00 0.00 H ATOM 1019 N TRP F 44 52.571 -48.359 18.668 1.00104.84 N ATOM 1020 CA TRP F 44 53.815 -48.026 17.985 1.00103.07 C ATOM 1021 C TRP F 44 53.682 -46.732 17.110 1.00101.06 C ATOM 1022 O TRP F 44 52.847 -45.891 17.445 1.00 99.23 O ATOM 1023 CB TRP F 44 54.407 -49.245 17.219 1.00102.61 C ATOM 1024 CG TRP F 44 53.978 -50.635 17.636 1.00104.26 C ATOM 1025 CD1 TRP F 44 53.634 -51.653 16.793 1.00107.36 C ATOM 1026 CD2 TRP F 44 53.926 -51.190 18.976 1.00104.20 C ATOM 1027 NE1 TRP F 44 53.319 -52.786 17.515 1.00107.34 N ATOM 1028 CE2 TRP F 44 53.472 -52.523 18.859 1.00108.50 C ATOM 1029 CE3 TRP F 44 54.219 -50.692 20.262 1.00105.43 C ATOM 1030 CZ2 TRP F 44 53.243 -53.339 19.981 1.00107.40 C ATOM 1031 CZ3 TRP F 44 53.997 -51.504 21.368 1.00106.64 C ATOM 1032 CH2 TRP F 44 53.527 -52.813 21.221 1.00107.27 C ATOM 1033 HE1 TRP F 44 53.015 -53.694 17.109 1.00 0.00 H ATOM 1034 H TRP F 44 51.846 -48.928 18.187 1.00 0.00 H ATOM 1035 N VAL F 45 54.570 -46.527 16.074 1.00 94.73 N ATOM 1036 CA VAL F 45 54.637 -45.355 15.162 1.00 93.53 C ATOM 1037 C VAL F 45 55.714 -45.505 14.060 1.00 95.21 C ATOM 1038 O VAL F 45 56.883 -45.565 14.406 1.00 95.37 O ATOM 1039 CB VAL F 45 54.797 -43.978 15.913 1.00 98.26 C ATOM 1040 CG1 VAL F 45 55.766 -44.048 17.094 1.00 98.46 C ATOM 1041 CG2 VAL F 45 55.215 -42.853 14.972 1.00 98.24 C ATOM 1042 H VAL F 45 55.272 -47.277 15.913 1.00 0.00 H ATOM 1043 N TRP F 46 55.359 -45.493 12.750 1.00 90.64 N ATOM 1044 CA TRP F 46 56.375 -45.545 11.671 1.00 90.53 C ATOM 1045 C TRP F 46 56.923 -44.144 11.458 1.00 95.26 C ATOM 1046 O TRP F 46 56.120 -43.225 11.370 1.00 95.35 O ATOM 1047 CB TRP F 46 55.795 -46.054 10.348 1.00 89.34 C ATOM 1048 CG TRP F 46 55.702 -47.540 10.237 1.00 90.42 C ATOM 1049 CD1 TRP F 46 54.602 -48.303 10.470 1.00 93.37 C ATOM 1050 CD2 TRP F 46 56.739 -48.442 9.834 1.00 90.22 C ATOM 1051 NE1 TRP F 46 54.891 -49.629 10.262 1.00 92.91 N ATOM 1052 CE2 TRP F 46 56.199 -49.745 9.875 1.00 94.27 C ATOM 1053 CE3 TRP F 46 58.081 -48.283 9.465 1.00 91.58 C ATOM 1054 CZ2 TRP F 46 56.954 -50.882 9.559 1.00 93.48 C ATOM 1055 CZ3 TRP F 46 58.832 -49.410 9.164 1.00 93.03 C ATOM 1056 CH2 TRP F 46 58.267 -50.690 9.206 1.00 93.57 C ATOM 1057 HE1 TRP F 46 54.224 -50.418 10.380 1.00 0.00 H ATOM 1058 H TRP F 46 54.351 -45.446 12.497 1.00 0.00 H ATOM 1059 N ALA F 47 58.263 -43.955 11.375 1.00 92.50 N ATOM 1060 CA ALA F 47 58.865 -42.614 11.237 1.00 92.65 C ATOM 1061 C ALA F 47 60.187 -42.553 10.393 1.00 98.17 C ATOM 1062 O ALA F 47 61.266 -42.630 10.980 1.00 98.70 O ATOM 1063 CB ALA F 47 59.078 -41.983 12.622 1.00 92.90 C ATOM 1064 H ALA F 47 58.889 -44.785 11.410 1.00 0.00 H ATOM 1065 N PRO F 48 60.122 -42.285 9.054 1.00 94.37 N ATOM 1066 CA PRO F 48 61.345 -42.221 8.228 1.00 93.85 C ATOM 1067 C PRO F 48 61.944 -40.845 7.923 1.00 97.61 C ATOM 1068 O PRO F 48 61.273 -39.816 7.990 1.00 95.69 O ATOM 1069 CB PRO F 48 60.877 -42.825 6.912 1.00 95.71 C ATOM 1070 CG PRO F 48 59.485 -42.377 6.803 1.00100.79 C ATOM 1071 CD PRO F 48 58.929 -42.198 8.197 1.00 96.39 C ATOM 1072 N SER F 49 63.212 -40.871 7.486 1.00 96.60 N ATOM 1073 CA SER F 49 64.029 -39.735 7.068 1.00 97.74 C ATOM 1074 C SER F 49 64.529 -40.020 5.674 1.00102.84 C ATOM 1075 O SER F 49 65.085 -41.095 5.429 1.00101.99 O ATOM 1076 CB SER F 49 65.234 -39.579 7.986 1.00104.17 C ATOM 1077 OG SER F 49 66.168 -38.643 7.465 1.00120.10 O ATOM 1078 HG SER F 49 66.937 -38.566 8.084 1.00 0.00 H ATOM 1079 H SER F 49 63.665 -41.806 7.440 1.00 0.00 H ATOM 1080 N PHE F 50 64.392 -39.055 4.776 1.00101.74 N ATOM 1081 CA PHE F 50 64.808 -39.287 3.405 1.00103.54 C ATOM 1082 C PHE F 50 65.946 -38.367 2.969 1.00113.30 C ATOM 1083 O PHE F 50 65.912 -37.212 3.394 1.00112.81 O ATOM 1084 CB PHE F 50 63.589 -39.172 2.459 1.00105.11 C ATOM 1085 CG PHE F 50 62.302 -39.825 2.938 1.00105.70 C ATOM 1086 CD1 PHE F 50 62.203 -41.209 3.056 1.00107.59 C ATOM 1087 CD2 PHE F 50 61.186 -39.056 3.249 1.00106.62 C ATOM 1088 CE1 PHE F 50 61.028 -41.800 3.510 1.00107.85 C ATOM 1089 CE2 PHE F 50 60.010 -39.656 3.696 1.00108.75 C ATOM 1090 CZ PHE F 50 59.937 -41.022 3.813 1.00106.53 C ATOM 1091 H PHE F 50 63.989 -38.137 5.052 1.00 0.00 H ATOM 1092 N PRO F 51 66.922 -38.834 2.109 1.00115.03 N ATOM 1093 CA PRO F 51 68.038 -37.955 1.653 1.00117.27 C ATOM 1094 C PRO F 51 67.653 -36.533 1.188 1.00128.14 C ATOM 1095 O PRO F 51 67.089 -36.329 0.104 1.00126.56 O ATOM 1096 CB PRO F 51 68.695 -38.767 0.532 1.00118.38 C ATOM 1097 CG PRO F 51 68.445 -40.178 0.927 1.00121.60 C ATOM 1098 CD PRO F 51 67.091 -40.204 1.579 1.00116.53 C ATOM 1099 N ALA F 52 68.006 -35.552 2.053 1.00131.44 N ATOM 1100 CA ALA F 52 67.720 -34.117 2.007 1.00134.63 C ATOM 1101 C ALA F 52 67.798 -33.448 0.638 1.00146.50 C ATOM 1102 O ALA F 52 66.953 -32.596 0.366 1.00144.79 O ATOM 1103 CB ALA F 52 68.609 -33.375 2.986 1.00135.40 C ATOM 1104 H ALA F 52 68.564 -35.865 2.873 1.00 0.00 H ATOM 1105 N CYS F 53 68.797 -33.792 -0.205 1.00143.85 N ATOM 1106 CA CYS F 53 68.939 -33.178 -1.531 1.00145.66 C ATOM 1107 C CYS F 53 67.670 -33.384 -2.386 1.00150.13 C ATOM 1108 O CYS F 53 67.243 -34.529 -2.596 1.00153.28 O ATOM 1109 CB CYS F 53 70.197 -33.673 -2.239 1.00148.60 C ATOM 1110 SG CYS F 53 70.893 -32.490 -3.423 1.00154.84 S ATOM 1111 H CYS F 53 69.485 -34.512 0.094 1.00 0.00 H ATOM 1112 N LYS F 54 67.036 -32.253 -2.805 1.00149.12 N ATOM 1113 CA LYS F 54 65.770 -32.188 -3.561 1.00148.19 C ATOM 1114 C LYS F 54 64.561 -32.687 -2.709 1.00146.51 C ATOM 1115 O LYS F 54 63.584 -33.224 -3.248 1.00144.57 O ATOM 1116 CB LYS F 54 65.877 -32.896 -4.933 1.00149.78 C ATOM 1117 H LYS F 54 67.488 -31.347 -2.569 1.00 0.00 H ATOM 1118 N GLY F 55 64.654 -32.467 -1.388 1.00140.08 N ATOM 1119 CA GLY F 55 63.665 -32.849 -0.380 1.00138.51 C ATOM 1120 C GLY F 55 63.368 -31.726 0.597 1.00138.77 C ATOM 1121 O GLY F 55 64.291 -31.162 1.194 1.00138.48 O ATOM 1122 H GLY F 55 65.508 -31.980 -1.050 1.00 0.00 H ATOM 1123 N LEU F 56 62.067 -31.388 0.752 1.00131.57 N ATOM 1124 CA LEU F 56 61.564 -30.294 1.589 1.00129.31 C ATOM 1125 C LEU F 56 61.993 -30.412 3.044 1.00130.46 C ATOM 1126 O LEU F 56 62.462 -29.426 3.633 1.00130.99 O ATOM 1127 CB LEU F 56 60.035 -30.177 1.474 1.00129.02 C ATOM 1128 H LEU F 56 61.364 -31.952 0.233 1.00 0.00 H ATOM 1129 N SER F 57 61.852 -31.614 3.625 1.00123.26 N ATOM 1130 CA SER F 57 62.252 -31.786 5.016 1.00120.61 C ATOM 1131 C SER F 57 63.658 -32.397 5.104 1.00117.25 C ATOM 1132 O SER F 57 64.100 -33.092 4.175 1.00117.00 O ATOM 1133 CB SER F 57 61.194 -32.531 5.821 1.00123.82 C ATOM 1134 H SER F 57 61.461 -32.414 3.088 1.00 0.00 H ATOM 1135 N LYS F 58 64.386 -32.053 6.186 1.00107.24 N ATOM 1136 CA LYS F 58 65.795 -32.409 6.373 1.00104.00 C ATOM 1137 C LYS F 58 66.102 -33.397 7.528 1.00100.45 C ATOM 1138 O LYS F 58 67.229 -33.409 8.043 1.00 99.99 O ATOM 1139 CB LYS F 58 66.635 -31.120 6.529 1.00106.50 C ATOM 1140 CG LYS F 58 66.851 -30.324 5.232 1.00123.17 C ATOM 1141 CD LYS F 58 65.743 -29.293 4.960 1.00135.06 C ATOM 1142 CE LYS F 58 65.962 -28.547 3.665 1.00143.28 C ATOM 1143 NZ LYS F 58 64.797 -27.693 3.314 1.00149.03 N ATOM 1144 HZ1 LYS F 58 63.951 -28.289 3.208 1.00 0.00 H ATOM 1145 HZ2 LYS F 58 64.639 -26.996 4.070 1.00 0.00 H ATOM 1146 HZ3 LYS F 58 64.988 -27.199 2.419 1.00 0.00 H ATOM 1147 H LYS F 58 63.919 -31.501 6.933 1.00 0.00 H ATOM 1148 N GLY F 59 65.144 -34.254 7.873 1.00 91.34 N ATOM 1149 CA GLY F 59 65.356 -35.249 8.919 1.00 88.73 C ATOM 1150 C GLY F 59 64.228 -36.232 9.120 1.00 87.10 C ATOM 1151 O GLY F 59 63.288 -36.279 8.320 1.00 86.36 O ATOM 1152 H GLY F 59 64.225 -34.214 7.387 1.00 0.00 H ATOM 1153 N ARG F 60 64.332 -37.034 10.197 1.00 80.24 N ATOM 1154 CA ARG F 60 63.338 -38.029 10.598 1.00 79.15 C ATOM 1155 C ARG F 60 61.964 -37.371 10.700 1.00 84.36 C ATOM 1156 O ARG F 60 61.840 -36.306 11.318 1.00 85.01 O ATOM 1157 CB ARG F 60 63.730 -38.619 11.954 1.00 75.98 C ATOM 1158 CG ARG F 60 63.827 -40.127 11.990 1.00 76.73 C ATOM 1159 CD ARG F 60 65.207 -40.496 12.496 1.00 84.63 C ATOM 1160 NE ARG F 60 65.148 -41.490 13.571 1.00 95.57 N ATOM 1161 CZ ARG F 60 66.200 -42.192 14.001 1.00108.73 C ATOM 1162 NH1 ARG F 60 67.394 -42.018 13.435 1.00 97.75 N ATOM 1163 NH2 ARG F 60 66.071 -43.069 14.978 1.00 90.13 N ATOM 1164 HE ARG F 60 64.229 -41.660 14.028 1.00 0.00 H ATOM 1165 HH12 ARG F 60 68.213 -42.565 13.770 1.00 0.00 H ATOM 1166 HH11 ARG F 60 67.507 -41.336 12.658 1.00 0.00 H ATOM 1167 HH22 ARG F 60 66.898 -43.610 15.304 1.00 0.00 H ATOM 1168 HH21 ARG F 60 65.143 -43.220 15.422 1.00 0.00 H ATOM 1169 H ARG F 60 65.183 -36.939 10.788 1.00 0.00 H ATOM 1170 N ARG F 61 60.952 -37.944 10.038 1.00 80.66 N ATOM 1171 CA ARG F 61 59.606 -37.371 10.100 1.00 80.16 C ATOM 1172 C ARG F 61 58.543 -38.447 10.266 1.00 82.23 C ATOM 1173 O ARG F 61 58.582 -39.450 9.561 1.00 81.09 O ATOM 1174 CB ARG F 61 59.303 -36.409 8.930 1.00 79.95 C ATOM 1175 CG ARG F 61 59.343 -36.990 7.520 1.00 81.43 C ATOM 1176 CD ARG F 61 59.793 -35.943 6.525 1.00 80.51 C ATOM 1177 NE ARG F 61 61.253 -35.897 6.455 1.00 93.83 N ATOM 1178 CZ ARG F 61 61.947 -35.663 5.345 1.00120.32 C ATOM 1179 NH1 ARG F 61 61.322 -35.395 4.208 1.00115.11 N ATOM 1180 NH2 ARG F 61 63.272 -35.656 5.373 1.00113.18 N ATOM 1181 HE ARG F 61 61.785 -36.058 7.334 1.00 0.00 H ATOM 1182 HH12 ARG F 61 61.871 -35.213 3.343 1.00 0.00 H ATOM 1183 HH11 ARG F 61 60.283 -35.367 4.180 1.00 0.00 H ATOM 1184 HH22 ARG F 61 63.810 -35.472 4.502 1.00 0.00 H ATOM 1185 HH21 ARG F 61 63.774 -35.834 6.266 1.00 0.00 H ATOM 1186 H ARG F 61 61.123 -38.802 9.476 1.00 0.00 H ATOM 1187 N PRO F 62 57.611 -38.280 11.222 1.00 78.19 N ATOM 1188 CA PRO F 62 56.575 -39.309 11.408 1.00 78.29 C ATOM 1189 C PRO F 62 55.542 -39.294 10.283 1.00 83.12 C ATOM 1190 O PRO F 62 55.307 -38.239 9.696 1.00 84.05 O ATOM 1191 CB PRO F 62 55.934 -38.916 12.738 1.00 79.87 C ATOM 1192 CG PRO F 62 56.090 -37.423 12.793 1.00 83.93 C ATOM 1193 CD PRO F 62 57.419 -37.138 12.141 1.00 79.33 C ATOM 1194 N ILE F 63 54.947 -40.453 9.959 1.00 78.45 N ATOM 1195 CA ILE F 63 53.898 -40.526 8.949 1.00 77.64 C ATOM 1196 C ILE F 63 52.693 -41.304 9.517 1.00 85.07 C ATOM 1197 O ILE F 63 51.566 -40.804 9.486 1.00 85.34 O ATOM 1198 CB ILE F 63 54.334 -40.980 7.522 1.00 79.48 C ATOM 1199 CG1 ILE F 63 54.517 -42.500 7.397 1.00 79.67 C ATOM 1200 CG2 ILE F 63 55.559 -40.224 6.985 1.00 78.96 C ATOM 1201 CD1 ILE F 63 55.563 -43.177 8.184 1.00 87.94 C ATOM 1202 H ILE F 63 55.243 -41.325 10.443 1.00 0.00 H ATOM 1203 N LEU F 64 52.934 -42.476 10.116 1.00 83.31 N ATOM 1204 CA LEU F 64 51.856 -43.273 10.698 1.00 83.41 C ATOM 1205 C LEU F 64 52.009 -43.463 12.186 1.00 87.81 C ATOM 1206 O LEU F 64 53.119 -43.646 12.671 1.00 87.19 O ATOM 1207 CB LEU F 64 51.807 -44.682 10.045 1.00 83.26 C ATOM 1208 CG LEU F 64 50.951 -44.942 8.797 1.00 86.84 C ATOM 1209 CD1 LEU F 64 49.651 -44.141 8.786 1.00 86.80 C ATOM 1210 CD2 LEU F 64 51.747 -44.764 7.550 1.00 87.57 C ATOM 1211 H LEU F 64 53.911 -42.828 10.169 1.00 0.00 H ATOM 1212 N TRP F 65 50.887 -43.513 12.891 1.00 85.90 N ATOM 1213 CA TRP F 65 50.834 -43.892 14.293 1.00 87.09 C ATOM 1214 C TRP F 65 49.790 -44.989 14.363 1.00 93.39 C ATOM 1215 O TRP F 65 48.827 -44.967 13.586 1.00 92.71 O ATOM 1216 CB TRP F 65 50.441 -42.733 15.203 1.00 86.29 C ATOM 1217 CG TRP F 65 51.351 -41.556 15.104 1.00 87.67 C ATOM 1218 CD1 TRP F 65 52.431 -41.281 15.886 1.00 90.38 C ATOM 1219 CD2 TRP F 65 51.215 -40.459 14.203 1.00 88.05 C ATOM 1220 NE1 TRP F 65 53.009 -40.100 15.494 1.00 89.95 N ATOM 1221 CE2 TRP F 65 52.278 -39.567 14.466 1.00 91.95 C ATOM 1222 CE3 TRP F 65 50.290 -40.137 13.190 1.00 89.87 C ATOM 1223 CZ2 TRP F 65 52.459 -38.387 13.738 1.00 91.76 C ATOM 1224 CZ3 TRP F 65 50.453 -38.953 12.489 1.00 91.73 C ATOM 1225 CH2 TRP F 65 51.533 -38.098 12.756 1.00 92.42 C ATOM 1226 HE1 TRP F 65 53.864 -39.678 15.910 1.00 0.00 H ATOM 1227 H TRP F 65 49.996 -43.267 12.414 1.00 0.00 H ATOM 1228 N ALA F 66 49.984 -45.953 15.279 1.00 92.24 N ATOM 1229 CA ALA F 66 49.073 -47.078 15.504 1.00 93.00 C ATOM 1230 C ALA F 66 47.618 -46.610 15.560 1.00 98.25 C ATOM 1231 O ALA F 66 47.308 -45.624 16.233 1.00 96.52 O ATOM 1232 CB ALA F 66 49.446 -47.809 16.787 1.00 93.80 C ATOM 1233 H ALA F 66 50.839 -45.897 15.868 1.00 0.00 H ATOM 1234 N ALA F 67 46.753 -47.281 14.788 1.00 97.69 N ATOM 1235 CA ALA F 67 45.328 -46.963 14.660 1.00 98.78 C ATOM 1236 C ALA F 67 44.476 -47.386 15.877 1.00104.54 C ATOM 1237 O ALA F 67 44.469 -48.565 16.245 1.00102.79 O ATOM 1238 CB ALA F 67 44.780 -47.582 13.375 1.00 99.59 C ATOM 1239 H ALA F 67 47.119 -48.086 14.240 1.00 0.00 H ATOM 1240 N ALA F 68 43.754 -46.422 16.489 1.00104.66 N ATOM 1241 CA ALA F 68 42.874 -46.677 17.642 1.00106.35 C ATOM 1242 C ALA F 68 41.493 -47.227 17.213 1.00115.51 C ATOM 1243 O ALA F 68 41.199 -47.272 16.017 1.00116.50 O ATOM 1244 CB ALA F 68 42.707 -45.414 18.459 1.00106.91 C ATOM 1245 H ALA F 68 43.823 -45.449 16.127 1.00 0.00 H ATOM 1246 N ALA F 69 40.643 -47.623 18.186 1.00114.72 N ATOM 1247 CA ALA F 69 39.300 -48.191 17.965 1.00116.32 C ATOM 1248 C ALA F 69 38.225 -47.168 17.470 1.00125.51 C ATOM 1249 O ALA F 69 37.136 -47.071 18.041 1.00124.02 O ATOM 1250 CB ALA F 69 38.828 -48.914 19.230 1.00116.89 C ATOM 1251 H ALA F 69 40.962 -47.519 19.170 1.00 0.00 H ATOM 1252 N GLY F 70 38.534 -46.461 16.382 1.00124.95 N ATOM 1253 CA GLY F 70 37.647 -45.466 15.781 1.00125.66 C ATOM 1254 C GLY F 70 37.648 -45.493 14.265 1.00133.93 C ATOM 1255 O GLY F 70 37.507 -46.561 13.660 1.00137.61 O ATOM 1256 H GLY F 70 39.459 -46.627 15.936 1.00 0.00 H ATOM 1257 N ALA F 71 37.835 -44.319 13.637 1.00131.36 N ATOM 1258 CA ALA F 71 37.866 -44.190 12.182 1.00132.31 C ATOM 1259 C ALA F 71 39.248 -43.713 11.718 1.00136.70 C ATOM 1260 O ALA F 71 39.342 -42.623 11.154 1.00137.32 O ATOM 1261 CB ALA F 71 36.793 -43.212 11.728 1.00132.72 C ATOM 1262 H ALA F 71 37.964 -43.463 14.214 1.00 0.00 H ATOM 1263 N PRO F 72 40.338 -44.505 11.869 1.00133.35 N ATOM 1264 CA PRO F 72 41.663 -43.979 11.509 1.00132.13 C ATOM 1265 C PRO F 72 42.295 -44.510 10.227 1.00128.11 C ATOM 1266 O PRO F 72 42.218 -45.702 9.941 1.00125.60 O ATOM 1267 CB PRO F 72 42.511 -44.351 12.734 1.00135.09 C ATOM 1268 CG PRO F 72 41.716 -45.502 13.429 1.00140.81 C ATOM 1269 CD PRO F 72 40.493 -45.781 12.589 1.00136.01 C ATOM 1270 N THR F 73 42.983 -43.596 9.501 1.00121.73 N ATOM 1271 CA THR F 73 43.762 -43.772 8.252 1.00120.54 C ATOM 1272 C THR F 73 44.517 -42.415 7.955 1.00116.18 C ATOM 1273 O THR F 73 44.289 -41.432 8.673 1.00115.16 O ATOM 1274 CB THR F 73 42.819 -44.312 7.074 1.00144.02 C ATOM 1275 OG1 THR F 73 42.451 -45.707 7.287 1.00162.53 O ATOM 1276 CG2 THR F 73 43.390 -44.091 5.647 1.00140.03 C ATOM 1277 HG1 THR F 73 41.964 -45.791 8.145 1.00 0.00 H ATOM 1278 H THR F 73 42.961 -42.626 9.876 1.00 0.00 H ATOM 1279 N VAL F 74 45.434 -42.407 6.929 1.00106.57 N ATOM 1280 CA VAL F 74 46.184 -41.308 6.262 1.00103.24 C ATOM 1281 C VAL F 74 47.653 -41.096 6.756 1.00100.88 C ATOM 1282 O VAL F 74 47.896 -40.548 7.837 1.00100.20 O ATOM 1283 CB VAL F 74 45.456 -39.917 6.176 1.00106.65 C ATOM 1284 CG1 VAL F 74 46.285 -38.887 5.404 1.00106.25 C ATOM 1285 CG2 VAL F 74 44.070 -40.040 5.549 1.00106.38 C ATOM 1286 H VAL F 74 45.643 -43.351 6.546 1.00 0.00 H ATOM 1287 N PRO F 75 48.615 -41.319 5.836 1.00 92.92 N ATOM 1288 CA PRO F 75 50.032 -41.040 6.133 1.00 91.36 C ATOM 1289 C PRO F 75 50.463 -39.683 5.517 1.00 91.95 C ATOM 1290 O PRO F 75 50.331 -39.537 4.318 1.00 91.80 O ATOM 1291 CB PRO F 75 50.741 -42.211 5.450 1.00 93.18 C ATOM 1292 CG PRO F 75 49.684 -42.870 4.538 1.00 97.74 C ATOM 1293 CD PRO F 75 48.491 -41.978 4.529 1.00 93.71 C ATOM 1294 N PRO F 76 51.001 -38.689 6.255 1.00 87.71 N ATOM 1295 CA PRO F 76 51.235 -37.356 5.657 1.00 88.07 C ATOM 1296 C PRO F 76 52.030 -37.142 4.326 1.00 93.14 C ATOM 1297 O PRO F 76 51.460 -36.500 3.436 1.00 94.18 O ATOM 1298 CB PRO F 76 51.948 -36.595 6.774 1.00 89.68 C ATOM 1299 CG PRO F 76 51.429 -37.173 8.021 1.00 93.34 C ATOM 1300 CD PRO F 76 51.122 -38.619 7.727 1.00 89.08 C ATOM 1301 N LEU F 77 53.322 -37.521 4.199 1.00 88.51 N ATOM 1302 CA LEU F 77 54.147 -37.186 3.011 1.00 88.96 C ATOM 1303 C LEU F 77 54.099 -38.217 1.819 1.00 92.56 C ATOM 1304 O LEU F 77 54.857 -38.065 0.838 1.00 91.49 O ATOM 1305 CB LEU F 77 55.621 -36.965 3.474 1.00 89.84 C ATOM 1306 CG LEU F 77 56.137 -35.796 4.453 1.00 96.15 C ATOM 1307 CD1 LEU F 77 56.512 -34.512 3.711 1.00100.43 C ATOM 1308 CD2 LEU F 77 55.271 -35.513 5.673 1.00 96.75 C ATOM 1309 H LEU F 77 53.757 -38.071 4.967 1.00 0.00 H ATOM 1310 N GLN F 78 53.207 -39.265 1.927 1.00 88.49 N ATOM 1311 CA GLN F 78 53.076 -40.372 0.957 1.00 87.17 C ATOM 1312 C GLN F 78 51.722 -41.192 1.109 1.00 89.72 C ATOM 1313 O GLN F 78 51.679 -42.251 1.744 1.00 87.68 O ATOM 1314 CB GLN F 78 54.329 -41.268 1.039 1.00 87.93 C ATOM 1315 CG GLN F 78 54.571 -41.955 2.388 1.00 82.72 C ATOM 1316 CD GLN F 78 56.021 -42.348 2.447 1.00 91.55 C ATOM 1317 OE1 GLN F 78 56.854 -41.581 2.905 1.00 90.03 O ATOM 1318 NE2 GLN F 78 56.360 -43.538 1.961 1.00 71.92 N ATOM 1319 HE22 GLN F 78 55.629 -44.170 1.577 1.00 0.00 H ATOM 1320 HE21 GLN F 78 57.356 -43.837 1.965 1.00 0.00 H ATOM 1321 H GLN F 78 52.578 -39.276 2.755 1.00 0.00 H ATOM 1322 N PRO F 79 50.609 -40.665 0.530 1.00 87.23 N ATOM 1323 CA PRO F 79 49.294 -41.327 0.670 1.00 86.84 C ATOM 1324 C PRO F 79 49.155 -42.501 -0.341 1.00 89.02 C ATOM 1325 O PRO F 79 48.348 -42.467 -1.282 1.00 86.45 O ATOM 1326 CB PRO F 79 48.294 -40.143 0.552 1.00 88.85 C ATOM 1327 CG PRO F 79 49.228 -38.823 0.313 1.00 93.79 C ATOM 1328 CD PRO F 79 50.494 -39.400 -0.223 1.00 89.24 C ATOM 1329 N PHE F 80 50.002 -43.566 -0.125 1.00 86.80 N ATOM 1330 CA PHE F 80 50.107 -44.840 -0.876 1.00 86.75 C ATOM 1331 C PHE F 80 50.894 -45.931 0.000 1.00 87.24 C ATOM 1332 O PHE F 80 51.953 -46.472 -0.398 1.00 85.83 O ATOM 1333 CB PHE F 80 50.644 -44.658 -2.344 1.00 89.52 C ATOM 1334 CG PHE F 80 51.923 -43.866 -2.535 1.00 92.55 C ATOM 1335 CD1 PHE F 80 51.906 -42.630 -3.174 1.00 96.49 C ATOM 1336 CD2 PHE F 80 53.129 -44.321 -2.003 1.00 95.95 C ATOM 1337 CE1 PHE F 80 53.073 -41.867 -3.278 1.00 97.90 C ATOM 1338 CE2 PHE F 80 54.289 -43.559 -2.097 1.00 99.20 C ATOM 1339 CZ PHE F 80 54.261 -42.342 -2.743 1.00 97.25 C ATOM 1340 H PHE F 80 50.658 -43.462 0.675 1.00 0.00 H ATOM 1341 N VAL F 81 50.348 -46.227 1.220 1.00 81.60 N ATOM 1342 CA VAL F 81 50.859 -47.229 2.185 1.00 79.94 C ATOM 1343 C VAL F 81 49.634 -47.904 2.784 1.00 81.59 C ATOM 1344 O VAL F 81 48.832 -47.226 3.408 1.00 80.77 O ATOM 1345 CB VAL F 81 51.810 -46.681 3.299 1.00 83.11 C ATOM 1346 CG1 VAL F 81 52.279 -47.798 4.209 1.00 82.77 C ATOM 1347 CG2 VAL F 81 53.017 -45.956 2.719 1.00 82.93 C ATOM 1348 H VAL F 81 49.495 -45.700 1.495 1.00 0.00 H ATOM 1349 N GLY F 82 49.467 -49.197 2.506 1.00 77.96 N ATOM 1350 CA GLY F 82 48.350 -50.026 2.951 1.00 77.33 C ATOM 1351 C GLY F 82 48.783 -51.103 3.928 1.00 81.21 C ATOM 1352 O GLY F 82 49.919 -51.569 3.853 1.00 81.28 O ATOM 1353 H GLY F 82 50.195 -49.655 1.922 1.00 0.00 H ATOM 1354 N ARG F 83 47.889 -51.505 4.860 1.00 77.45 N ATOM 1355 CA ARG F 83 48.175 -52.531 5.865 1.00 90.90 C ATOM 1356 C ARG F 83 47.465 -53.853 5.548 1.00 95.45 C ATOM 1357 O ARG F 83 48.117 -54.867 5.293 1.00 48.32 O ATOM 1358 CB ARG F 83 47.817 -52.023 7.273 1.00 90.24 C ATOM 1359 H ARG F 83 46.948 -51.062 4.863 1.00 0.00 H TER 1360 ARG F 83 ATOM 1361 N ILE F 91 47.482 -53.291 12.445 1.00 76.35 N ATOM 1362 CA ILE F 91 48.789 -53.898 12.268 1.00 73.67 C ATOM 1363 C ILE F 91 49.739 -52.926 11.520 1.00 83.45 C ATOM 1364 O ILE F 91 49.299 -52.209 10.605 1.00 85.13 O ATOM 1365 CB ILE F 91 48.711 -55.307 11.598 1.00 72.75 C ATOM 1366 CG1 ILE F 91 47.682 -55.372 10.454 1.00 72.85 C ATOM 1367 CG2 ILE F 91 48.458 -56.378 12.641 1.00 76.15 C ATOM 1368 CD1 ILE F 91 48.043 -56.370 9.385 1.00 57.34 C ATOM 1369 HN3 ILE F 91 47.076 -53.068 11.514 1.00 0.00 H ATOM 1370 HN2 ILE F 91 47.579 -52.417 13.000 1.00 0.00 H ATOM 1371 HN1 ILE F 91 46.858 -53.954 12.947 1.00 0.00 H ATOM 1372 N ARG F 92 51.007 -52.840 11.955 1.00 80.10 N ATOM 1373 CA ARG F 92 51.980 -51.975 11.301 1.00 79.01 C ATOM 1374 C ARG F 92 53.053 -52.910 10.859 1.00 82.46 C ATOM 1375 O ARG F 92 54.030 -53.171 11.555 1.00 81.06 O ATOM 1376 CB ARG F 92 52.496 -50.867 12.221 1.00 76.63 C ATOM 1377 CG ARG F 92 51.832 -49.508 12.037 1.00 70.98 C ATOM 1378 CD ARG F 92 50.384 -49.501 12.439 1.00 63.56 C ATOM 1379 H ARG F 92 51.301 -53.404 12.778 1.00 0.00 H ATOM 1380 N ARG F 93 52.695 -53.585 9.784 1.00 80.33 N ATOM 1381 CA ARG F 93 53.385 -54.544 8.932 1.00 80.29 C ATOM 1382 C ARG F 93 52.679 -54.171 7.620 1.00 82.73 C ATOM 1383 O ARG F 93 51.584 -54.670 7.347 1.00 83.17 O ATOM 1384 CB ARG F 93 53.080 -55.996 9.383 1.00 81.79 C ATOM 1385 CG ARG F 93 53.768 -56.415 10.707 1.00 98.10 C ATOM 1386 CD ARG F 93 52.891 -56.244 11.950 1.00114.13 C ATOM 1387 NE ARG F 93 53.618 -56.548 13.187 1.00126.28 N ATOM 1388 CZ ARG F 93 53.179 -56.259 14.413 1.00143.26 C ATOM 1389 NH1 ARG F 93 52.011 -55.653 14.586 1.00134.23 N ATOM 1390 NH2 ARG F 93 53.917 -56.567 15.474 1.00126.74 N ATOM 1391 HE ARG F 93 54.540 -57.022 13.102 1.00 0.00 H ATOM 1392 HH12 ARG F 93 51.677 -55.432 15.546 1.00 0.00 H ATOM 1393 HH11 ARG F 93 51.430 -55.399 13.762 1.00 0.00 H ATOM 1394 HH22 ARG F 93 53.574 -56.341 16.429 1.00 0.00 H ATOM 1395 HH21 ARG F 93 54.838 -57.034 15.349 1.00 0.00 H ATOM 1396 H ARG F 93 51.718 -53.393 9.482 1.00 0.00 H ATOM 1397 N LEU F 94 53.220 -53.144 6.919 1.00 77.25 N ATOM 1398 CA LEU F 94 52.596 -52.491 5.758 1.00 76.50 C ATOM 1399 C LEU F 94 53.340 -52.548 4.390 1.00 82.64 C ATOM 1400 O LEU F 94 54.571 -52.577 4.338 1.00 82.86 O ATOM 1401 CB LEU F 94 52.321 -51.005 6.101 1.00 75.70 C ATOM 1402 CG LEU F 94 53.295 -50.279 7.043 1.00 79.13 C ATOM 1403 CD1 LEU F 94 54.623 -49.986 6.386 1.00 80.98 C ATOM 1404 CD2 LEU F 94 52.703 -49.006 7.554 1.00 78.70 C ATOM 1405 H LEU F 94 54.149 -52.790 7.226 1.00 0.00 H ATOM 1406 N GLU F 95 52.559 -52.471 3.285 1.00 79.54 N ATOM 1407 CA GLU F 95 53.064 -52.446 1.914 1.00 79.69 C ATOM 1408 C GLU F 95 53.256 -51.003 1.422 1.00 84.66 C ATOM 1409 O GLU F 95 52.408 -50.148 1.680 1.00 83.34 O ATOM 1410 CB GLU F 95 52.122 -53.212 0.970 1.00 80.92 C ATOM 1411 CG GLU F 95 52.719 -53.480 -0.402 1.00 88.37 C ATOM 1412 CD GLU F 95 51.909 -54.458 -1.222 1.00111.66 C ATOM 1413 OE1 GLU F 95 51.030 -53.999 -1.988 1.00105.18 O ATOM 1414 OE2 GLU F 95 52.144 -55.683 -1.095 1.00108.47 O ATOM 1415 H GLU F 95 51.529 -52.427 3.422 1.00 0.00 H ATOM 1416 N LEU F 96 54.366 -50.747 0.695 1.00 82.62 N ATOM 1417 CA LEU F 96 54.648 -49.425 0.144 1.00 82.84 C ATOM 1418 C LEU F 96 54.958 -49.444 -1.323 1.00 86.15 C ATOM 1419 O LEU F 96 55.969 -50.011 -1.746 1.00 85.54 O ATOM 1420 CB LEU F 96 55.747 -48.659 0.911 1.00 83.10 C ATOM 1421 CG LEU F 96 56.557 -47.609 0.112 1.00 87.16 C ATOM 1422 CD1 LEU F 96 55.891 -46.236 0.129 1.00 86.99 C ATOM 1423 CD2 LEU F 96 57.969 -47.565 0.581 1.00 89.24 C ATOM 1424 H LEU F 96 55.042 -51.518 0.522 1.00 0.00 H ATOM 1425 N LEU F 97 54.117 -48.716 -2.072 1.00 82.34 N ATOM 1426 CA LEU F 97 54.217 -48.460 -3.501 1.00 81.29 C ATOM 1427 C LEU F 97 55.270 -47.362 -3.678 1.00 85.37 C ATOM 1428 O LEU F 97 55.145 -46.287 -3.109 1.00 84.94 O ATOM 1429 CB LEU F 97 52.844 -48.005 -4.019 1.00 80.55 C ATOM 1430 CG LEU F 97 52.841 -47.250 -5.308 1.00 84.22 C ATOM 1431 CD1 LEU F 97 53.035 -48.190 -6.495 1.00 84.65 C ATOM 1432 CD2 LEU F 97 51.610 -46.426 -5.423 1.00 85.27 C ATOM 1433 H LEU F 97 53.307 -48.289 -1.579 1.00 0.00 H ATOM 1434 N LEU F 98 56.311 -47.634 -4.434 1.00 82.37 N ATOM 1435 CA LEU F 98 57.389 -46.664 -4.590 1.00 82.77 C ATOM 1436 C LEU F 98 57.255 -45.712 -5.751 1.00 88.95 C ATOM 1437 O LEU F 98 56.723 -46.074 -6.797 1.00 88.90 O ATOM 1438 CB LEU F 98 58.731 -47.382 -4.684 1.00 82.55 C ATOM 1439 CG LEU F 98 58.983 -48.369 -3.584 1.00 86.73 C ATOM 1440 CD1 LEU F 98 59.205 -49.736 -4.140 1.00 86.99 C ATOM 1441 CD2 LEU F 98 60.122 -47.937 -2.755 1.00 88.02 C ATOM 1442 H LEU F 98 56.366 -48.549 -4.925 1.00 0.00 H ATOM 1443 N SER F 99 57.784 -44.498 -5.566 1.00 86.63 N ATOM 1444 CA SER F 99 57.893 -43.450 -6.573 1.00 87.52 C ATOM 1445 C SER F 99 58.935 -42.413 -6.139 1.00 91.95 C ATOM 1446 O SER F 99 59.594 -42.607 -5.116 1.00 90.71 O ATOM 1447 CB SER F 99 56.542 -42.829 -6.924 1.00 92.46 C ATOM 1448 OG SER F 99 56.472 -42.589 -8.325 1.00102.58 O ATOM 1449 HG SER F 99 55.595 -42.187 -8.546 1.00 0.00 H ATOM 1450 H SER F 99 58.151 -44.282 -4.617 1.00 0.00 H ATOM 1451 N ALA F 100 59.127 -41.363 -6.957 1.00 89.85 N ATOM 1452 CA ALA F 100 60.091 -40.279 -6.781 1.00 90.53 C ATOM 1453 C ALA F 100 60.316 -39.838 -5.352 1.00 94.62 C ATOM 1454 O ALA F 100 59.367 -39.418 -4.678 1.00 94.70 O ATOM 1455 CB ALA F 100 59.689 -39.081 -7.633 1.00 91.79 C ATOM 1456 H ALA F 100 58.526 -41.318 -7.804 1.00 0.00 H ATOM 1457 N GLY F 101 61.571 -39.955 -4.914 1.00 90.81 N ATOM 1458 CA GLY F 101 62.024 -39.533 -3.591 1.00 90.24 C ATOM 1459 C GLY F 101 61.840 -40.488 -2.427 1.00 93.02 C ATOM 1460 O GLY F 101 62.379 -40.219 -1.351 1.00 93.07 O ATOM 1461 H GLY F 101 62.273 -40.374 -5.557 1.00 0.00 H ATOM 1462 N ASP F 102 61.122 -41.624 -2.624 1.00 88.25 N ATOM 1463 CA ASP F 102 60.845 -42.622 -1.577 1.00 87.72 C ATOM 1464 C ASP F 102 62.092 -43.327 -0.988 1.00 90.10 C ATOM 1465 O ASP F 102 61.956 -44.093 -0.037 1.00 89.14 O ATOM 1466 CB ASP F 102 59.815 -43.655 -2.057 1.00 90.16 C ATOM 1467 CG ASP F 102 58.384 -43.127 -2.143 1.00107.76 C ATOM 1468 OD1 ASP F 102 58.047 -42.177 -1.392 1.00108.68 O ATOM 1469 OD2 ASP F 102 57.597 -43.673 -2.948 1.00117.58 O ATOM 1470 H ASP F 102 60.743 -41.801 -3.576 1.00 0.00 H ATOM 1471 N SER F 103 63.297 -43.033 -1.520 1.00 86.46 N ATOM 1472 CA SER F 103 64.593 -43.553 -1.058 1.00 85.74 C ATOM 1473 C SER F 103 64.923 -42.882 0.287 1.00 89.44 C ATOM 1474 O SER F 103 64.857 -41.658 0.405 1.00 88.37 O ATOM 1475 CB SER F 103 65.677 -43.290 -2.110 1.00 87.95 C ATOM 1476 OG SER F 103 67.010 -43.628 -1.765 1.00 92.83 O ATOM 1477 HG SER F 103 67.063 -44.596 -1.566 1.00 0.00 H ATOM 1478 H SER F 103 63.310 -42.380 -2.329 1.00 0.00 H ATOM 1479 N GLY F 104 65.183 -43.719 1.289 1.00 86.39 N ATOM 1480 CA GLY F 104 65.491 -43.354 2.668 1.00 85.86 C ATOM 1481 C GLY F 104 65.234 -44.525 3.601 1.00 88.73 C ATOM 1482 O GLY F 104 64.721 -45.562 3.162 1.00 87.86 O ATOM 1483 H GLY F 104 65.165 -44.735 1.067 1.00 0.00 H ATOM 1484 N THR F 105 65.589 -44.372 4.899 1.00 84.18 N ATOM 1485 CA THR F 105 65.416 -45.413 5.920 1.00 83.05 C ATOM 1486 C THR F 105 64.076 -45.262 6.608 1.00 84.27 C ATOM 1487 O THR F 105 63.734 -44.156 6.993 1.00 83.38 O ATOM 1488 CB THR F 105 66.614 -45.416 6.886 1.00 93.52 C ATOM 1489 OG1 THR F 105 67.774 -45.837 6.167 1.00 94.72 O ATOM 1490 CG2 THR F 105 66.415 -46.336 8.085 1.00 92.47 C ATOM 1491 HG1 THR F 105 68.554 -45.844 6.776 1.00 0.00 H ATOM 1492 H THR F 105 66.008 -43.465 5.189 1.00 0.00 H ATOM 1493 N PHE F 106 63.329 -46.373 6.762 1.00 80.57 N ATOM 1494 CA PHE F 106 62.007 -46.434 7.402 1.00 80.59 C ATOM 1495 C PHE F 106 62.084 -47.079 8.770 1.00 86.68 C ATOM 1496 O PHE F 106 62.455 -48.245 8.881 1.00 86.24 O ATOM 1497 CB PHE F 106 60.995 -47.175 6.517 1.00 81.86 C ATOM 1498 CG PHE F 106 60.460 -46.338 5.383 1.00 82.94 C ATOM 1499 CD1 PHE F 106 59.231 -45.704 5.487 1.00 85.65 C ATOM 1500 CD2 PHE F 106 61.184 -46.186 4.206 1.00 84.83 C ATOM 1501 CE1 PHE F 106 58.743 -44.914 4.444 1.00 86.50 C ATOM 1502 CE2 PHE F 106 60.692 -45.403 3.163 1.00 87.57 C ATOM 1503 CZ PHE F 106 59.468 -44.781 3.283 1.00 85.50 C ATOM 1504 H PHE F 106 63.722 -47.264 6.397 1.00 0.00 H ATOM 1505 N PHE F 107 61.723 -46.323 9.811 1.00 85.37 N ATOM 1506 CA PHE F 107 61.795 -46.786 11.194 1.00 86.34 C ATOM 1507 C PHE F 107 60.434 -47.136 11.735 1.00 95.05 C ATOM 1508 O PHE F 107 59.500 -46.376 11.532 1.00 94.75 O ATOM 1509 CB PHE F 107 62.398 -45.684 12.082 1.00 87.84 C ATOM 1510 CG PHE F 107 63.739 -45.138 11.652 1.00 89.32 C ATOM 1511 CD1 PHE F 107 63.824 -44.066 10.772 1.00 92.02 C ATOM 1512 CD2 PHE F 107 64.918 -45.661 12.170 1.00 91.86 C ATOM 1513 CE1 PHE F 107 65.062 -43.547 10.393 1.00 93.10 C ATOM 1514 CE2 PHE F 107 66.160 -45.152 11.781 1.00 94.70 C ATOM 1515 CZ PHE F 107 66.223 -44.087 10.908 1.00 92.72 C ATOM 1516 H PHE F 107 61.375 -45.360 9.628 1.00 0.00 H ATOM 1517 N CYS F 108 60.307 -48.270 12.417 1.00 96.27 N ATOM 1518 CA CYS F 108 59.070 -48.642 13.101 1.00 98.76 C ATOM 1519 C CYS F 108 59.419 -48.512 14.569 1.00103.50 C ATOM 1520 O CYS F 108 60.469 -48.982 14.985 1.00103.21 O ATOM 1521 CB CYS F 108 58.621 -50.051 12.738 1.00100.69 C ATOM 1522 SG CYS F 108 57.184 -50.634 13.679 1.00105.63 S ATOM 1523 H CYS F 108 61.119 -48.918 12.466 1.00 0.00 H ATOM 1524 N LYS F 109 58.625 -47.789 15.329 1.00101.42 N ATOM 1525 CA LYS F 109 59.024 -47.498 16.705 1.00102.45 C ATOM 1526 C LYS F 109 58.161 -48.136 17.795 1.00110.82 C ATOM 1527 O LYS F 109 56.942 -48.078 17.709 1.00110.72 O ATOM 1528 CB LYS F 109 59.056 -45.972 16.932 1.00103.72 C ATOM 1529 CG LYS F 109 59.874 -45.103 15.926 1.00101.08 C ATOM 1530 CD LYS F 109 61.382 -45.265 15.982 1.00100.02 C ATOM 1531 CE LYS F 109 61.934 -44.934 17.348 1.00111.84 C ATOM 1532 NZ LYS F 109 63.396 -44.697 17.354 1.00128.00 N ATOM 1533 HZ1 LYS F 109 63.886 -45.551 17.019 1.00 0.00 H ATOM 1534 HZ2 LYS F 109 63.619 -43.899 16.726 1.00 0.00 H ATOM 1535 HZ3 LYS F 109 63.706 -44.476 18.322 1.00 0.00 H ATOM 1536 H LYS F 109 57.724 -47.429 14.955 1.00 0.00 H ATOM 1537 N GLY F 110 58.785 -48.661 18.839 1.00110.25 N ATOM 1538 CA GLY F 110 58.025 -49.214 19.953 1.00112.04 C ATOM 1539 C GLY F 110 57.682 -48.142 20.983 1.00120.28 C ATOM 1540 O GLY F 110 57.900 -46.947 20.732 1.00120.52 O ATOM 1541 H GLY F 110 59.825 -48.679 18.864 1.00 0.00 H ATOM 1542 N ARG F 111 57.145 -48.552 22.161 1.00118.77 N ATOM 1543 CA ARG F 111 56.797 -47.613 23.232 1.00120.03 C ATOM 1544 C ARG F 111 58.037 -46.878 23.783 1.00124.84 C ATOM 1545 O ARG F 111 57.989 -45.646 23.894 1.00125.47 O ATOM 1546 CB ARG F 111 56.009 -48.304 24.362 1.00122.53 C ATOM 1547 H ARG F 111 56.975 -49.567 22.309 1.00 0.00 H ATOM 1548 N HIS F 112 59.163 -47.605 24.060 1.00120.02 N ATOM 1549 CA HIS F 112 60.385 -46.961 24.576 1.00118.85 C ATOM 1550 C HIS F 112 61.728 -47.473 23.983 1.00119.88 C ATOM 1551 O HIS F 112 62.075 -48.655 24.073 1.00118.47 O ATOM 1552 CB HIS F 112 60.428 -47.010 26.105 1.00119.55 C ATOM 1553 H HIS F 112 59.157 -48.633 23.903 1.00 0.00 H ATOM 1554 N GLU F 113 62.450 -46.542 23.343 1.00115.85 N ATOM 1555 CA GLU F 113 63.768 -46.625 22.707 1.00115.44 C ATOM 1556 C GLU F 113 63.800 -47.474 21.395 1.00119.52 C ATOM 1557 O GLU F 113 64.132 -46.927 20.334 1.00120.19 O ATOM 1558 CB GLU F 113 64.842 -47.077 23.713 1.00116.79 C ATOM 1559 H GLU F 113 62.000 -45.606 23.289 1.00 0.00 H ATOM 1560 N ASP F 114 63.387 -48.788 21.488 1.00114.66 N ATOM 1561 CA ASP F 114 63.285 -49.811 20.432 1.00113.40 C ATOM 1562 C ASP F 114 62.776 -49.260 19.111 1.00112.77 C ATOM 1563 O ASP F 114 61.813 -48.495 19.105 1.00112.76 O ATOM 1564 CB ASP F 114 62.441 -51.065 20.887 1.00115.79 C ATOM 1565 CG ASP F 114 61.053 -50.823 21.502 1.00129.32 C ATOM 1566 OD1 ASP F 114 60.435 -51.803 22.002 1.00131.15 O ATOM 1567 OD2 ASP F 114 60.612 -49.674 21.519 1.00135.34 O ATOM 1568 H ASP F 114 63.108 -49.101 22.440 1.00 0.00 H ATOM 1569 N GLU F 115 63.445 -49.629 17.999 1.00105.06 N ATOM 1570 CA GLU F 115 63.127 -49.178 16.653 1.00103.09 C ATOM 1571 C GLU F 115 63.586 -50.215 15.676 1.00104.95 C ATOM 1572 O GLU F 115 64.713 -50.703 15.805 1.00105.54 O ATOM 1573 CB GLU F 115 63.895 -47.893 16.328 1.00104.29 C ATOM 1574 H GLU F 115 64.246 -50.283 18.112 1.00 0.00 H ATOM 1575 N SER F 116 62.733 -50.558 14.693 1.00 99.07 N ATOM 1576 CA SER F 116 63.068 -51.498 13.627 1.00 97.51 C ATOM 1577 C SER F 116 63.205 -50.715 12.310 1.00 99.09 C ATOM 1578 O SER F 116 62.219 -50.173 11.788 1.00 98.80 O ATOM 1579 CB SER F 116 62.025 -52.602 13.524 1.00100.24 C ATOM 1580 OG SER F 116 62.554 -53.708 12.813 1.00109.75 O ATOM 1581 HG SER F 116 61.868 -54.419 12.752 1.00 0.00 H ATOM 1582 H SER F 116 61.785 -50.131 14.693 1.00 0.00 H ATOM 1583 N ARG F 117 64.450 -50.620 11.803 1.00 93.73 N ATOM 1584 CA ARG F 117 64.727 -49.850 10.598 1.00 92.68 C ATOM 1585 C ARG F 117 64.992 -50.730 9.335 1.00 93.94 C ATOM 1586 O ARG F 117 65.749 -51.725 9.342 1.00 92.08 O ATOM 1587 CB ARG F 117 65.837 -48.794 10.836 1.00 93.43 C ATOM 1588 CG ARG F 117 67.265 -49.261 10.595 1.00106.71 C ATOM 1589 CD ARG F 117 68.330 -48.228 10.913 1.00117.55 C ATOM 1590 NE ARG F 117 69.574 -48.490 10.173 1.00131.94 N ATOM 1591 CZ ARG F 117 70.444 -49.464 10.452 1.00150.60 C ATOM 1592 NH1 ARG F 117 70.219 -50.300 11.459 1.00143.88 N ATOM 1593 NH2 ARG F 117 71.541 -49.612 9.719 1.00134.24 N ATOM 1594 HE ARG F 117 69.793 -47.868 9.369 1.00 0.00 H ATOM 1595 HH12 ARG F 117 70.902 -51.056 11.670 1.00 0.00 H ATOM 1596 HH11 ARG F 117 69.360 -50.199 12.037 1.00 0.00 H ATOM 1597 HH22 ARG F 117 72.216 -50.372 9.940 1.00 0.00 H ATOM 1598 HH21 ARG F 117 71.726 -48.968 8.924 1.00 0.00 H ATOM 1599 H ARG F 117 65.232 -51.108 12.284 1.00 0.00 H ATOM 1600 N THR F 118 64.299 -50.320 8.256 1.00 89.56 N ATOM 1601 CA THR F 118 64.342 -50.879 6.909 1.00 88.29 C ATOM 1602 C THR F 118 64.841 -49.769 5.982 1.00 89.38 C ATOM 1603 O THR F 118 64.111 -48.816 5.722 1.00 88.69 O ATOM 1604 CB THR F 118 62.953 -51.415 6.462 1.00 93.43 C ATOM 1605 OG1 THR F 118 62.369 -52.249 7.465 1.00 90.32 O ATOM 1606 CG2 THR F 118 63.028 -52.184 5.166 1.00 92.81 C ATOM 1607 HG1 THR F 118 61.488 -52.573 7.151 1.00 0.00 H ATOM 1608 H THR F 118 63.660 -49.512 8.399 1.00 0.00 H ATOM 1609 N VAL F 119 66.087 -49.884 5.514 1.00 84.29 N ATOM 1610 CA VAL F 119 66.709 -48.939 4.585 1.00 83.26 C ATOM 1611 C VAL F 119 66.105 -49.190 3.195 1.00 84.28 C ATOM 1612 O VAL F 119 65.760 -50.329 2.878 1.00 82.19 O ATOM 1613 CB VAL F 119 68.248 -49.090 4.582 1.00 87.57 C ATOM 1614 CG1 VAL F 119 68.922 -47.951 3.817 1.00 87.55 C ATOM 1615 CG2 VAL F 119 68.794 -49.186 6.005 1.00 87.38 C ATOM 1616 H VAL F 119 66.652 -50.698 5.830 1.00 0.00 H ATOM 1617 N LEU F 120 65.944 -48.127 2.390 1.00 81.09 N ATOM 1618 CA LEU F 120 65.333 -48.232 1.071 1.00 81.24 C ATOM 1619 C LEU F 120 65.987 -47.357 -0.019 1.00 85.46 C ATOM 1620 O LEU F 120 66.293 -46.192 0.245 1.00 84.93 O ATOM 1621 CB LEU F 120 63.847 -47.907 1.209 1.00 81.37 C ATOM 1622 CG LEU F 120 63.029 -47.837 -0.057 1.00 86.76 C ATOM 1623 CD1 LEU F 120 62.959 -49.199 -0.752 1.00 87.06 C ATOM 1624 CD2 LEU F 120 61.674 -47.310 0.248 1.00 90.02 C ATOM 1625 H LEU F 120 66.267 -47.195 2.720 1.00 0.00 H ATOM 1626 N HIS F 121 66.164 -47.923 -1.251 1.00 81.52 N ATOM 1627 CA HIS F 121 66.727 -47.197 -2.384 1.00 81.20 C ATOM 1628 C HIS F 121 65.909 -47.359 -3.662 1.00 84.46 C ATOM 1629 O HIS F 121 65.776 -48.464 -4.163 1.00 82.89 O ATOM 1630 CB HIS F 121 68.206 -47.531 -2.616 1.00 82.14 C ATOM 1631 CG HIS F 121 68.819 -46.703 -3.703 1.00 86.19 C ATOM 1632 ND1 HIS F 121 69.565 -47.279 -4.717 1.00 88.53 N ATOM 1633 CD2 HIS F 121 68.731 -45.371 -3.932 1.00 88.50 C ATOM 1634 CE1 HIS F 121 69.939 -46.284 -5.507 1.00 88.02 C ATOM 1635 NE2 HIS F 121 69.449 -45.119 -5.088 1.00 88.45 N ATOM 1636 H HIS F 121 65.885 -48.916 -1.386 1.00 0.00 H ATOM 1637 N VAL F 122 65.351 -46.248 -4.177 1.00 82.71 N ATOM 1638 CA VAL F 122 64.570 -46.251 -5.413 1.00 83.46 C ATOM 1639 C VAL F 122 65.499 -45.883 -6.573 1.00 92.78 C ATOM 1640 O VAL F 122 66.313 -44.958 -6.462 1.00 93.56 O ATOM 1641 CB VAL F 122 63.228 -45.459 -5.381 1.00 86.60 C ATOM 1642 CG1 VAL F 122 62.553 -45.557 -4.019 1.00 86.21 C ATOM 1643 CG2 VAL F 122 63.383 -44.003 -5.796 1.00 86.45 C ATOM 1644 H VAL F 122 65.481 -45.347 -3.674 1.00 0.00 H ATOM 1645 N LEU F 123 65.437 -46.686 -7.643 1.00 91.69 N ATOM 1646 CA LEU F 123 66.261 -46.565 -8.832 1.00 92.18 C ATOM 1647 C LEU F 123 66.158 -45.164 -9.431 1.00102.11 C ATOM 1648 O LEU F 123 65.076 -44.562 -9.450 1.00101.46 O ATOM 1649 CB LEU F 123 65.839 -47.655 -9.821 1.00 91.40 C ATOM 1650 CG LEU F 123 66.605 -47.814 -11.121 1.00 94.55 C ATOM 1651 CD1 LEU F 123 67.918 -48.518 -10.898 1.00 94.47 C ATOM 1652 CD2 LEU F 123 65.800 -48.621 -12.082 1.00 95.04 C ATOM 1653 H LEU F 123 64.742 -47.459 -7.620 1.00 0.00 H ATOM 1654 N GLY F 124 67.317 -44.639 -9.820 1.00103.64 N ATOM 1655 CA GLY F 124 67.484 -43.314 -10.413 1.00105.35 C ATOM 1656 C GLY F 124 67.020 -42.155 -9.551 1.00112.56 C ATOM 1657 O GLY F 124 66.171 -41.370 -9.988 1.00112.92 O ATOM 1658 H GLY F 124 68.172 -45.217 -9.692 1.00 0.00 H ATOM 1659 N ASP F 125 67.578 -42.031 -8.330 1.00110.40 N ATOM 1660 CA ASP F 125 67.203 -40.961 -7.419 1.00110.98 C ATOM 1661 C ASP F 125 68.185 -39.784 -7.428 1.00121.21 C ATOM 1662 O ASP F 125 69.232 -39.821 -6.772 1.00120.54 O ATOM 1663 CB ASP F 125 66.962 -41.497 -6.011 1.00111.57 C ATOM 1664 CG ASP F 125 65.530 -41.353 -5.542 1.00112.46 C ATOM 1665 OD1 ASP F 125 64.699 -40.821 -6.308 1.00112.57 O ATOM 1666 OD2 ASP F 125 65.237 -41.782 -4.426 1.00111.57 O ATOM 1667 H ASP F 125 68.297 -42.720 -8.031 1.00 0.00 H ATOM 1668 N ARG F 126 67.829 -38.737 -8.207 1.00122.03 N ATOM 1669 CA ARG F 126 68.575 -37.484 -8.400 1.00123.12 C ATOM 1670 C ARG F 126 67.660 -36.409 -9.023 1.00129.79 C ATOM 1671 O ARG F 126 66.432 -36.483 -8.859 1.00129.23 O ATOM 1672 CB ARG F 126 69.845 -37.701 -9.255 1.00122.82 C ATOM 1673 H ARG F 126 66.932 -38.828 -8.725 1.00 0.00 H ATOM 1674 N THR F 127 68.267 -35.407 -9.717 1.00130.49 N ATOM 1675 CA THR F 127 67.567 -34.293 -10.365 1.00216.96 C ATOM 1676 C THR F 127 67.237 -34.626 -11.820 1.00288.41 C ATOM 1677 O THR F 127 66.450 -35.534 -12.077 1.00255.81 O ATOM 1678 CB THR F 127 68.333 -32.960 -10.185 1.00230.81 C ATOM 1679 OG1 THR F 127 67.624 -31.907 -10.841 1.00233.49 O ATOM 1680 CG2 THR F 127 69.774 -33.014 -10.693 1.00231.86 C ATOM 1681 HG1 THR F 127 68.117 -31.056 -10.724 1.00 0.00 H ATOM 1682 H THR F 127 69.304 -35.434 -9.793 1.00 0.00 H TER 1683 THR F 127 HETATM 1684 C1 SGN A 1 50.133 -38.944 30.736 1.00 0.18 C HETATM 1685 C2 SGN A 1 51.557 -39.501 30.669 1.00 0.11 C HETATM 1686 C3 SGN A 1 52.561 -38.351 30.581 1.00 0.11 C HETATM 1687 C4 SGN A 1 52.213 -37.407 29.433 1.00 0.12 C HETATM 1688 C5 SGN A 1 50.773 -36.908 29.563 1.00 0.12 C HETATM 1689 C6 SGN A 1 50.319 -36.100 28.371 1.00 0.10 C HETATM 1690 O6 SGN A 1 49.564 -34.947 28.871 1.00 -0.26 O HETATM 1691 S2 SGN A 1 49.906 -33.414 28.781 1.00 -0.07 S HETATM 1692 O4S SGN A 1 50.934 -33.230 27.738 1.00 -0.46 O HETATM 1693 O5S SGN A 1 48.644 -32.690 28.843 1.00 -0.46 O HETATM 1694 O6S SGN A 1 50.498 -33.178 30.151 1.00 -0.46 O HETATM 1695 H6 SGN A 1 49.676 -36.716 27.724 1.00 0.06 H HETATM 1696 H7 SGN A 1 51.193 -35.755 27.798 1.00 0.06 H HETATM 1697 O5 SGN A 1 49.864 -38.022 29.670 1.00 -0.34 O HETATM 1698 H5 SGN A 1 50.703 -36.286 30.467 1.00 0.06 H HETATM 1699 O1 SGN A 1 53.381 -36.765 28.786 1.00 -0.34 O HETATM 1700 C1 SGN A 1 53.918 -36.154 27.644 1.00 0.19 C HETATM 1701 C2 SGN A 1 55.290 -35.538 27.902 1.00 0.16 C HETATM 1702 C3 SGN A 1 56.111 -35.489 26.623 1.00 0.12 C HETATM 1703 C4 SGN A 1 56.318 -36.892 26.059 1.00 0.13 C HETATM 1704 C5 SGN A 1 55.094 -37.790 26.340 1.00 0.14 C HETATM 1705 C6 SGN A 1 54.818 -38.753 25.187 1.00 0.07 C HETATM 1706 O61 SGN A 1 54.304 -38.404 24.141 1.00 -0.57 O HETATM 1707 O62 SGN A 1 55.200 -39.973 25.447 1.00 -0.57 O HETATM 1708 O5 SGN A 1 53.890 -37.024 26.506 1.00 -0.33 O HETATM 1709 H15 SGN A 1 55.292 -38.364 27.257 1.00 0.08 H HETATM 1710 O1 SGN A 1 57.627 -37.292 25.757 1.00 -0.34 O HETATM 1711 C1 SGN A 1 58.730 -37.789 25.073 1.00 0.18 C HETATM 1712 C2 SGN A 1 59.309 -36.702 24.164 1.00 0.11 C HETATM 1713 C3 SGN A 1 58.650 -36.614 22.788 1.00 0.11 C HETATM 1714 C4 SGN A 1 58.408 -38.002 22.202 1.00 0.12 C HETATM 1715 C5 SGN A 1 57.615 -38.838 23.204 1.00 0.12 C HETATM 1716 C6 SGN A 1 57.238 -40.206 22.698 1.00 0.10 C HETATM 1717 O6 SGN A 1 58.461 -40.943 22.438 1.00 -0.26 O HETATM 1718 S2 SGN A 1 58.737 -42.411 22.825 1.00 -0.07 S HETATM 1719 O4S SGN A 1 57.451 -43.104 22.753 1.00 -0.46 O HETATM 1720 O5S SGN A 1 59.968 -42.836 22.132 1.00 -0.46 O HETATM 1721 O6S SGN A 1 59.170 -42.232 24.273 1.00 -0.46 O HETATM 1722 H22 SGN A 1 56.654 -40.113 21.770 1.00 0.06 H HETATM 1723 H23 SGN A 1 56.640 -40.732 23.456 1.00 0.06 H HETATM 1724 O5 SGN A 1 58.390 -39.013 24.404 1.00 -0.34 O HETATM 1725 H21 SGN A 1 56.691 -38.292 23.446 1.00 0.06 H HETATM 1726 O1 SGN A 1 58.452 -38.421 20.849 1.00 -0.34 O HETATM 1727 C1 SGN A 1 58.738 -38.120 19.539 1.00 0.19 C HETATM 1728 C2 SGN A 1 57.447 -38.027 18.732 1.00 0.16 C HETATM 1729 C3 SGN A 1 57.655 -37.509 17.312 1.00 0.12 C HETATM 1730 C4 SGN A 1 58.862 -36.580 17.235 1.00 0.13 C HETATM 1731 C5 SGN A 1 59.101 -35.949 18.615 1.00 0.14 C HETATM 1732 C6 SGN A 1 60.077 -34.769 18.589 1.00 0.07 C HETATM 1733 O61 SGN A 1 59.855 -33.762 17.931 1.00 -0.57 O HETATM 1734 O62 SGN A 1 61.126 -34.918 19.360 1.00 -0.57 O HETATM 1735 O5 SGN A 1 59.581 -36.961 19.507 1.00 -0.33 O HETATM 1736 H30 SGN A 1 58.136 -35.577 18.990 1.00 0.08 H HETATM 1737 O1 SGN A 1 59.892 -37.490 16.636 1.00 -0.34 O HETATM 1738 C1 SGN A 1 60.442 -37.680 15.371 1.00 0.18 C HETATM 1739 C2 SGN A 1 61.923 -38.054 15.411 1.00 0.11 C HETATM 1740 C3 SGN A 1 62.830 -36.846 15.648 1.00 0.11 C HETATM 1741 C4 SGN A 1 62.464 -35.701 14.706 1.00 0.12 C HETATM 1742 C5 SGN A 1 60.977 -35.381 14.840 1.00 0.12 C HETATM 1743 C6 SGN A 1 60.493 -34.303 13.906 1.00 0.10 C HETATM 1744 O6 SGN A 1 59.048 -34.502 13.724 1.00 -0.26 O HETATM 1745 S2 SGN A 1 57.798 -33.668 14.174 1.00 -0.07 S HETATM 1746 O4S SGN A 1 57.603 -32.611 13.134 1.00 -0.46 O HETATM 1747 O5S SGN A 1 56.804 -34.628 14.592 1.00 -0.46 O HETATM 1748 O6S SGN A 1 58.238 -33.076 15.511 1.00 -0.46 O HETATM 1749 H37 SGN A 1 61.009 -34.383 12.938 1.00 0.06 H HETATM 1750 H38 SGN A 1 60.685 -33.312 14.343 1.00 0.06 H HETATM 1751 O5 SGN A 1 60.199 -36.551 14.533 1.00 -0.34 O HETATM 1752 H36 SGN A 1 60.785 -35.067 15.877 1.00 0.06 H HETATM 1753 O1 SGN A 1 63.651 -35.015 14.470 1.00 -0.34 O HETATM 1754 C1 SGN A 1 64.301 -34.319 13.479 1.00 0.19 C HETATM 1755 C2 SGN A 1 64.520 -32.862 13.846 1.00 0.16 C HETATM 1756 C3 SGN A 1 65.296 -32.164 12.739 1.00 0.12 C HETATM 1757 C4 SGN A 1 66.653 -32.836 12.557 1.00 0.13 C HETATM 1758 C5 SGN A 1 66.695 -34.202 13.268 1.00 0.14 C HETATM 1759 C6 SGN A 1 67.844 -35.045 12.723 1.00 0.07 C HETATM 1760 O61 SGN A 1 67.750 -35.684 11.693 1.00 -0.57 O HETATM 1761 O62 SGN A 1 68.931 -34.967 13.448 1.00 -0.57 O HETATM 1762 O5 SGN A 1 65.505 -34.976 13.051 1.00 -0.33 O HETATM 1763 H45 SGN A 1 66.831 -34.033 14.346 1.00 0.08 H HETATM 1764 O1 SGN A 1 67.841 -32.059 12.476 1.00 -0.34 O HETATM 1765 C1 SGN A 1 69.082 -31.708 11.956 1.00 0.18 C HETATM 1766 C2 SGN A 1 68.902 -30.829 10.717 1.00 0.11 C HETATM 1767 C3 SGN A 1 69.712 -31.406 9.559 1.00 0.11 C HETATM 1768 C4 SGN A 1 71.136 -31.713 10.015 1.00 0.12 C HETATM 1769 C5 SGN A 1 71.138 -32.804 11.088 1.00 0.12 C HETATM 1770 C6 SGN A 1 72.251 -32.651 12.099 1.00 0.10 C HETATM 1771 O6 SGN A 1 73.132 -33.826 11.986 1.00 -0.26 O HETATM 1772 S2 SGN A 1 74.531 -34.030 11.241 1.00 -0.07 S HETATM 1773 O4S SGN A 1 74.333 -35.002 10.146 1.00 -0.46 O HETATM 1774 O5S SGN A 1 75.168 -32.707 11.098 1.00 -0.46 O HETATM 1775 O6S SGN A 1 75.336 -34.692 12.340 1.00 -0.46 O HETATM 1776 H52 SGN A 1 71.829 -32.597 13.114 1.00 0.06 H HETATM 1777 H53 SGN A 1 72.822 -31.735 11.890 1.00 0.06 H HETATM 1778 O5 SGN A 1 69.871 -32.902 11.779 1.00 -0.34 O HETATM 1779 H51 SGN A 1 71.302 -33.758 10.566 1.00 0.06 H HETATM 1780 O1 SGN A 1 72.001 -32.082 8.862 1.00 -0.34 O HETATM 1781 C1 SGN A 1 72.548 -33.030 7.967 1.00 0.19 C HETATM 1782 C2 SGN A 1 71.450 -33.970 7.482 1.00 0.16 C HETATM 1783 C3 SGN A 1 71.371 -33.983 5.959 1.00 0.09 C HETATM 1784 C4 SGN A 1 71.367 -32.556 5.413 1.00 0.01 C HETATM 1785 C5 SGN A 1 72.619 -31.769 5.900 1.00 0.12 C HETATM 1786 C6 SGN A 1 73.606 -31.554 4.749 1.00 0.06 C HETATM 1787 O61 SGN A 1 73.544 -30.565 4.052 1.00 -0.57 O HETATM 1788 O62 SGN A 1 74.501 -32.503 4.602 1.00 -0.57 O HETATM 1789 O5 SGN A 1 73.358 -32.452 6.937 1.00 -0.33 O HETATM 1790 H61 SGN A 1 72.282 -30.794 6.283 1.00 0.08 H HETATM 1791 H59 SGN A 1 70.460 -32.040 5.761 1.00 0.03 H HETATM 1792 H60 SGN A 1 71.370 -32.591 4.314 1.00 0.03 H HETATM 1793 O3 SGN A 1 70.188 -34.663 5.548 1.00 -0.39 O HETATM 1794 H62 SGN A 1 70.198 -35.549 5.891 1.00 0.21 H HETATM 1795 H58 SGN A 1 72.248 -34.514 5.560 1.00 0.06 H HETATM 1796 O2 SGN A 1 71.802 -35.313 7.945 1.00 -0.25 O HETATM 1797 S SGN A 1 70.823 -36.442 8.467 1.00 -0.07 S HETATM 1798 O1S SGN A 1 69.643 -36.541 7.587 1.00 -0.46 O HETATM 1799 O2S SGN A 1 71.702 -37.552 8.863 1.00 -0.46 O HETATM 1800 O3S SGN A 1 70.350 -35.746 9.728 1.00 -0.46 O HETATM 1801 H57 SGN A 1 70.480 -33.661 7.899 1.00 0.07 H HETATM 1802 H56 SGN A 1 73.237 -33.650 8.559 1.00 0.09 H HETATM 1803 H50 SGN A 1 71.550 -30.799 10.465 1.00 0.07 H HETATM 1804 O3 SGN A 1 69.733 -30.479 8.476 1.00 -0.39 O HETATM 1805 H55 SGN A 1 70.219 -30.852 7.750 1.00 0.21 H HETATM 1806 H49 SGN A 1 69.237 -32.339 9.221 1.00 0.06 H HETATM 1807 N SGN A 1 67.501 -30.612 10.314 1.00 -0.27 N HETATM 1808 S1 SGN A 1 66.778 -29.188 10.241 1.00 -0.12 S HETATM 1809 O1S SGN A 1 65.329 -29.357 10.807 1.00 -0.47 O HETATM 1810 O2S SGN A 1 66.538 -28.869 8.881 1.00 -0.47 O HETATM 1811 O3S SGN A 1 67.436 -28.295 11.122 1.00 -0.47 O HETATM 1812 H54 SGN A 1 66.961 -31.417 10.067 1.00 0.16 H HETATM 1813 H48 SGN A 1 69.319 -29.841 10.960 1.00 0.06 H HETATM 1814 H47 SGN A 1 69.602 -31.092 12.704 1.00 0.09 H HETATM 1815 H44 SGN A 1 66.582 -33.152 11.506 1.00 0.07 H HETATM 1816 O3 SGN A 1 65.465 -30.786 13.048 1.00 -0.39 O HETATM 1817 H46 SGN A 1 65.931 -30.358 12.339 1.00 0.21 H HETATM 1818 H43 SGN A 1 64.729 -32.248 11.800 1.00 0.07 H HETATM 1819 O2 SGN A 1 63.204 -32.244 13.997 1.00 -0.25 O HETATM 1820 S SGN A 1 62.616 -31.563 15.295 1.00 -0.07 S HETATM 1821 O1S SGN A 1 61.235 -31.187 14.969 1.00 -0.46 O HETATM 1822 O2S SGN A 1 63.436 -30.278 15.287 1.00 -0.46 O HETATM 1823 O3S SGN A 1 63.040 -32.367 16.495 1.00 -0.46 O HETATM 1824 H42 SGN A 1 65.080 -32.791 14.790 1.00 0.07 H HETATM 1825 H41 SGN A 1 63.627 -34.318 12.610 1.00 0.09 H HETATM 1826 H35 SGN A 1 62.396 -36.199 13.727 1.00 0.07 H HETATM 1827 O3 SGN A 1 64.183 -37.240 15.451 1.00 -0.39 O HETATM 1828 H40 SGN A 1 64.755 -36.502 15.625 1.00 0.21 H HETATM 1829 H34 SGN A 1 62.704 -36.502 16.685 1.00 0.06 H HETATM 1830 N SGN A 1 62.193 -39.109 16.396 1.00 -0.27 N HETATM 1831 S1 SGN A 1 61.758 -40.632 16.189 1.00 -0.12 S HETATM 1832 O1S SGN A 1 60.442 -40.805 16.686 1.00 -0.47 O HETATM 1833 O2S SGN A 1 62.169 -41.046 14.896 1.00 -0.47 O HETATM 1834 O3S SGN A 1 62.684 -41.499 17.103 1.00 -0.47 O HETATM 1835 H39 SGN A 1 62.673 -38.862 17.238 1.00 0.16 H HETATM 1836 H33 SGN A 1 62.177 -38.459 14.421 1.00 0.06 H HETATM 1837 H32 SGN A 1 59.915 -38.534 14.921 1.00 0.09 H HETATM 1838 H29 SGN A 1 58.675 -35.755 16.532 1.00 0.07 H HETATM 1839 O3 SGN A 1 56.494 -36.802 16.889 1.00 -0.39 O HETATM 1840 H31 SGN A 1 56.613 -36.506 15.994 1.00 0.21 H HETATM 1841 H28 SGN A 1 57.822 -38.366 16.642 1.00 0.07 H HETATM 1842 O2 SGN A 1 56.884 -39.373 18.668 1.00 -0.25 O HETATM 1843 S SGN A 1 55.489 -39.827 19.260 1.00 -0.07 S HETATM 1844 O1S SGN A 1 55.352 -41.276 19.070 1.00 -0.46 O HETATM 1845 O2S SGN A 1 54.589 -39.181 18.234 1.00 -0.46 O HETATM 1846 O3S SGN A 1 55.260 -39.068 20.493 1.00 -0.46 O HETATM 1847 H27 SGN A 1 56.749 -37.354 19.252 1.00 0.07 H HETATM 1848 H26 SGN A 1 59.319 -38.952 19.114 1.00 0.09 H HETATM 1849 H20 SGN A 1 59.408 -38.396 22.436 1.00 0.07 H HETATM 1850 O3 SGN A 1 59.478 -35.837 21.930 1.00 -0.39 O HETATM 1851 H25 SGN A 1 59.055 -35.742 21.084 1.00 0.21 H HETATM 1852 H19 SGN A 1 57.678 -36.109 22.894 1.00 0.06 H HETATM 1853 N SGN A 1 59.274 -35.390 24.828 1.00 -0.27 N HETATM 1854 S1 SGN A 1 60.505 -34.652 25.527 1.00 -0.12 S HETATM 1855 O1S SGN A 1 61.530 -34.465 24.565 1.00 -0.47 O HETATM 1856 O2S SGN A 1 59.993 -33.597 26.326 1.00 -0.47 O HETATM 1857 O3S SGN A 1 61.058 -35.688 26.578 1.00 -0.47 O HETATM 1858 H24 SGN A 1 58.394 -34.914 24.843 1.00 0.16 H HETATM 1859 H18 SGN A 1 60.365 -36.960 23.996 1.00 0.06 H HETATM 1860 H17 SGN A 1 59.505 -38.034 25.814 1.00 0.09 H HETATM 1861 H14 SGN A 1 56.054 -36.671 25.014 1.00 0.07 H HETATM 1862 O3 SGN A 1 57.366 -34.869 26.886 1.00 -0.39 O HETATM 1863 H16 SGN A 1 57.863 -34.808 26.079 1.00 0.21 H HETATM 1864 H13 SGN A 1 55.569 -34.889 25.878 1.00 0.07 H HETATM 1865 O2 SGN A 1 55.068 -34.166 28.322 1.00 -0.25 O HETATM 1866 S SGN A 1 54.551 -33.693 29.736 1.00 -0.07 S HETATM 1867 O1S SGN A 1 53.129 -33.490 29.664 1.00 -0.46 O HETATM 1868 O2S SGN A 1 55.172 -32.322 29.710 1.00 -0.46 O HETATM 1869 O3S SGN A 1 55.256 -34.494 30.752 1.00 -0.46 O HETATM 1870 H12 SGN A 1 55.825 -36.107 28.677 1.00 0.07 H HETATM 1871 H11 SGN A 1 53.250 -35.314 27.401 1.00 0.09 H HETATM 1872 H4 SGN A 1 52.026 -38.141 28.636 1.00 0.07 H HETATM 1873 O3 SGN A 1 53.880 -38.858 30.402 1.00 -0.39 O HETATM 1874 H10 SGN A 1 54.497 -38.136 30.389 1.00 0.21 H HETATM 1875 H3 SGN A 1 52.525 -37.785 31.523 1.00 0.06 H HETATM 1876 N SGN A 1 51.893 -40.394 31.791 1.00 -0.27 N HETATM 1877 S1 SGN A 1 51.470 -41.928 31.936 1.00 -0.12 S HETATM 1878 O1S SGN A 1 50.129 -41.993 32.414 1.00 -0.47 O HETATM 1879 O2S SGN A 1 51.933 -42.617 30.786 1.00 -0.47 O HETATM 1880 O3S SGN A 1 52.374 -42.520 33.084 1.00 -0.47 O HETATM 1881 H8 SGN A 1 52.438 -40.003 32.533 1.00 0.16 H HETATM 1882 H2 SGN A 1 51.636 -40.093 29.745 1.00 0.06 H HETATM 1883 O1 SGN A 1 49.843 -38.386 31.995 1.00 -0.37 O HETATM 1884 H9 SGN A 1 48.924 -38.148 32.031 1.00 0.21 H HETATM 1885 H1 SGN A 1 49.451 -39.796 30.600 1.00 0.09 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 139 138 670 CONECT 158 159 163 164 165 CONECT 163 158 CONECT 164 158 CONECT 165 158 CONECT 503 504 508 509 510 CONECT 508 503 CONECT 509 503 CONECT 510 503 CONECT 670 139 669 CONECT 847 848 853 854 855 CONECT 854 847 CONECT 855 847 CONECT 992 991 1522 CONECT 1011 1012 1016 1017 1018 CONECT 1016 1011 CONECT 1017 1011 CONECT 1018 1011 CONECT 1361 1362 1369 1370 1371 CONECT 1369 1361 CONECT 1370 1361 CONECT 1371 1361 CONECT 1522 992 1521 CONECT 1684 1685 1697 1883 1885 CONECT 1685 1684 1686 1876 1882 CONECT 1686 1685 1687 1873 1875 CONECT 1687 1686 1688 1699 1872 CONECT 1688 1687 1689 1697 1698 CONECT 1689 1688 1690 1695 1696 CONECT 1690 1689 1691 CONECT 1691 1690 1692 1693 1694 CONECT 1692 1691 CONECT 1693 1691 CONECT 1694 1691 CONECT 1695 1689 CONECT 1696 1689 CONECT 1697 1684 1688 CONECT 1698 1688 CONECT 1699 1687 1700 CONECT 1700 1699 1701 1708 1871 CONECT 1701 1700 1702 1865 1870 CONECT 1702 1701 1703 1862 1864 CONECT 1703 1702 1704 1710 1861 CONECT 1704 1703 1705 1708 1709 CONECT 1705 1704 1706 1707 CONECT 1706 1705 CONECT 1707 1705 CONECT 1708 1700 1704 CONECT 1709 1704 CONECT 1710 1703 1711 CONECT 1711 1710 1712 1724 1860 CONECT 1712 1711 1713 1853 1859 CONECT 1713 1712 1714 1850 1852 CONECT 1714 1713 1715 1726 1849 CONECT 1715 1714 1716 1724 1725 CONECT 1716 1715 1717 1722 1723 CONECT 1717 1716 1718 CONECT 1718 1717 1719 1720 1721 CONECT 1719 1718 CONECT 1720 1718 CONECT 1721 1718 CONECT 1722 1716 CONECT 1723 1716 CONECT 1724 1711 1715 CONECT 1725 1715 CONECT 1726 1714 1727 CONECT 1727 1726 1728 1735 1848 CONECT 1728 1727 1729 1842 1847 CONECT 1729 1728 1730 1839 1841 CONECT 1730 1729 1731 1737 1838 CONECT 1731 1730 1732 1735 1736 CONECT 1732 1731 1733 1734 CONECT 1733 1732 CONECT 1734 1732 CONECT 1735 1727 1731 CONECT 1736 1731 CONECT 1737 1730 1738 CONECT 1738 1737 1739 1751 1837 CONECT 1739 1738 1740 1830 1836 CONECT 1740 1739 1741 1827 1829 CONECT 1741 1740 1742 1753 1826 CONECT 1742 1741 1743 1751 1752 CONECT 1743 1742 1744 1749 1750 CONECT 1744 1743 1745 CONECT 1745 1744 1746 1747 1748 CONECT 1746 1745 CONECT 1747 1745 CONECT 1748 1745 CONECT 1749 1743 CONECT 1750 1743 CONECT 1751 1738 1742 CONECT 1752 1742 CONECT 1753 1741 1754 CONECT 1754 1753 1755 1762 1825 CONECT 1755 1754 1756 1819 1824 CONECT 1756 1755 1757 1816 1818 CONECT 1757 1756 1758 1764 1815 CONECT 1758 1757 1759 1762 1763 CONECT 1759 1758 1760 1761 CONECT 1760 1759 CONECT 1761 1759 CONECT 1762 1754 1758 CONECT 1763 1758 CONECT 1764 1757 1765 CONECT 1765 1764 1766 1778 1814 CONECT 1766 1765 1767 1807 1813 CONECT 1767 1766 1768 1804 1806 CONECT 1768 1767 1769 1780 1803 CONECT 1769 1768 1770 1778 1779 CONECT 1770 1769 1771 1776 1777 CONECT 1771 1770 1772 CONECT 1772 1771 1773 1774 1775 CONECT 1773 1772 CONECT 1774 1772 CONECT 1775 1772 CONECT 1776 1770 CONECT 1777 1770 CONECT 1778 1765 1769 CONECT 1779 1769 CONECT 1780 1768 1781 CONECT 1781 1780 1782 1789 1802 CONECT 1782 1781 1783 1796 1801 CONECT 1783 1782 1784 1793 1795 CONECT 1784 1783 1785 1791 1792 CONECT 1785 1784 1786 1789 1790 CONECT 1786 1785 1787 1788 CONECT 1787 1786 CONECT 1788 1786 CONECT 1789 1781 1785 CONECT 1790 1785 CONECT 1791 1784 CONECT 1792 1784 CONECT 1793 1783 1794 CONECT 1794 1793 CONECT 1795 1783 CONECT 1796 1782 1797 CONECT 1797 1796 1798 1799 1800 CONECT 1798 1797 CONECT 1799 1797 CONECT 1800 1797 CONECT 1801 1782 CONECT 1802 1781 CONECT 1803 1768 CONECT 1804 1767 1805 CONECT 1805 1804 CONECT 1806 1767 CONECT 1807 1766 1808 1812 CONECT 1808 1807 1809 1810 1811 CONECT 1809 1808 CONECT 1810 1808 CONECT 1811 1808 CONECT 1812 1807 CONECT 1813 1766 CONECT 1814 1765 CONECT 1815 1757 CONECT 1816 1756 1817 CONECT 1817 1816 CONECT 1818 1756 CONECT 1819 1755 1820 CONECT 1820 1819 1821 1822 1823 CONECT 1821 1820 CONECT 1822 1820 CONECT 1823 1820 CONECT 1824 1755 CONECT 1825 1754 CONECT 1826 1741 CONECT 1827 1740 1828 CONECT 1828 1827 CONECT 1829 1740 CONECT 1830 1739 1831 1835 CONECT 1831 1830 1832 1833 1834 CONECT 1832 1831 CONECT 1833 1831 CONECT 1834 1831 CONECT 1835 1830 CONECT 1836 1739 CONECT 1837 1738 CONECT 1838 1730 CONECT 1839 1729 1840 CONECT 1840 1839 CONECT 1841 1729 CONECT 1842 1728 1843 CONECT 1843 1842 1844 1845 1846 CONECT 1844 1843 CONECT 1845 1843 CONECT 1846 1843 CONECT 1847 1728 CONECT 1848 1727 CONECT 1849 1714 CONECT 1850 1713 1851 CONECT 1851 1850 CONECT 1852 1713 CONECT 1853 1712 1854 1858 CONECT 1854 1853 1855 1856 1857 CONECT 1855 1854 CONECT 1856 1854 CONECT 1857 1854 CONECT 1858 1853 CONECT 1859 1712 CONECT 1860 1711 CONECT 1861 1703 CONECT 1862 1702 1863 CONECT 1863 1862 CONECT 1864 1702 CONECT 1865 1701 1866 CONECT 1866 1865 1867 1868 1869 CONECT 1867 1866 CONECT 1868 1866 CONECT 1869 1866 CONECT 1870 1701 CONECT 1871 1700 CONECT 1872 1687 CONECT 1873 1686 1874 CONECT 1874 1873 CONECT 1875 1686 CONECT 1876 1685 1877 1881 CONECT 1877 1876 1878 1879 1880 CONECT 1878 1877 CONECT 1879 1877 CONECT 1880 1877 CONECT 1881 1876 CONECT 1882 1685 CONECT 1883 1684 1884 CONECT 1884 1883 CONECT 1885 1684 MASTER 0 0 0 0 0 0 0 0 1879 6 229 18 END
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Protein
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1fo0
RCSB PDB
PDBbind
8-mer
1fzj
RCSB PDB
PDBbind
8-mer
1fzm
RCSB PDB
PDBbind
8-mer
1g6r
RCSB PDB
PDBbind
8-mer
1g7q
RCSB PDB
PDBbind
8-mer
1leg
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PDBbind
8-mer
1lek
RCSB PDB
PDBbind
8-mer
1nlp
RCSB PDB
PDBbind
8-mer
1nzl
RCSB PDB
PDBbind
8-mer
1nzv
RCSB PDB
PDBbind
8-mer
1obx
RCSB PDB
PDBbind
8-mer
1okx
RCSB PDB
PDBbind
8-mer
1p2g
RCSB PDB
PDBbind
8-mer
1pig
RCSB PDB
PDBbind
8-mer
1pz5
RCSB PDB
PDBbind
8-mer
1qja
RCSB PDB
PDBbind
8-mer
1qjb
RCSB PDB
PDBbind
8-mer
1qr3
RCSB PDB
PDBbind
8-mer
1sle
RCSB PDB
PDBbind
8-mer
1tps
RCSB PDB
PDBbind
8-mer
2c1n
RCSB PDB
PDBbind
8-mer
2clv
RCSB PDB
PDBbind
8-mer
2er0
RCSB PDB
PDBbind
8-mer
2er9
RCSB PDB
PDBbind
8-mer
2fo4
RCSB PDB
PDBbind
8-mer
2h6k
RCSB PDB
PDBbind
8-mer
2kbs
RCSB PDB
PDBbind
8-mer
2qbw
RCSB PDB
PDBbind
8-mer
2r03
RCSB PDB
PDBbind
8-mer
2r9b
RCSB PDB
PDBbind
8-mer
2rly
RCSB PDB
PDBbind
8-mer
2rt5
RCSB PDB
PDBbind
8-mer
2v88
RCSB PDB
PDBbind
8-mer
2w16
RCSB PDB
PDBbind
8-mer
2w3o
RCSB PDB
PDBbind
8-mer
2ynn
RCSB PDB
PDBbind
8-mer
2zpk
RCSB PDB
PDBbind
8-mer
3agm
RCSB PDB
PDBbind
8-mer
3av9
RCSB PDB
PDBbind
8-mer
3ava
RCSB PDB
PDBbind
8-mer
3avb
RCSB PDB
PDBbind
8-mer
3avf
RCSB PDB
PDBbind
8-mer
3avg
RCSB PDB
PDBbind
8-mer
3avh
RCSB PDB
PDBbind
8-mer
3avi
RCSB PDB
PDBbind
8-mer
3avj
RCSB PDB
PDBbind
8-mer
3avk
RCSB PDB
PDBbind
8-mer
3avl
RCSB PDB
PDBbind
8-mer
3avm
RCSB PDB
PDBbind
8-mer
3avn
RCSB PDB
PDBbind
8-mer
3drf
RCSB PDB
PDBbind
8-mer
3ds9
RCSB PDB
PDBbind
8-mer
3eyu
RCSB PDB
PDBbind
8-mer
3h85
RCSB PDB
PDBbind
8-mer
3i91
RCSB PDB
PDBbind
8-mer
3jvk
RCSB PDB
PDBbind
8-mer
3kze
RCSB PDB
PDBbind
8-mer
3muk
RCSB PDB
PDBbind
8-mer
3n5e
RCSB PDB
PDBbind
8-mer
3nf3
RCSB PDB
PDBbind
8-mer
3omc
RCSB PDB
PDBbind
8-mer
3omg
RCSB PDB
PDBbind
8-mer
3p9l
RCSB PDB
PDBbind
8-mer
3p9m
RCSB PDB
PDBbind
8-mer
3pab
RCSB PDB
PDBbind
8-mer
3qg6
RCSB PDB
PDBbind
8-mer
3rdv
RCSB PDB
PDBbind
8-mer
3rwh
RCSB PDB
PDBbind
8-mer
3rwj
RCSB PDB
PDBbind
8-mer
3unn
RCSB PDB
PDBbind
8-mer
3uqp
RCSB PDB
PDBbind
8-mer
3uri
RCSB PDB
PDBbind
8-mer
3uyr
RCSB PDB
PDBbind
8-mer
3zev
RCSB PDB
PDBbind
8-mer
3zvy
RCSB PDB
PDBbind
8-mer
3zyr
RCSB PDB
PDBbind
8-mer
4aa1
RCSB PDB
PDBbind
8-mer
4aph
RCSB PDB
PDBbind
8-mer
4apr
RCSB PDB
PDBbind
8-mer
4dv9
RCSB PDB
PDBbind
8-mer
4e67
RCSB PDB
PDBbind
8-mer
4eoy
RCSB PDB
PDBbind
8-mer
4ep2
RCSB PDB
PDBbind
8-mer
4eqj
RCSB PDB
PDBbind
8-mer
4ezr
RCSB PDB
PDBbind
8-mer
4fmo
RCSB PDB
PDBbind
8-mer
4fn5
RCSB PDB
PDBbind
8-mer
4gpk
RCSB PDB
PDBbind
8-mer
4gvc
RCSB PDB
PDBbind
8-mer
4gvd
RCSB PDB
PDBbind
8-mer
4gvu
RCSB PDB
PDBbind
8-mer
4h36
RCSB PDB
PDBbind
8-mer
4h75
RCSB PDB
PDBbind
8-mer
4ii9
RCSB PDB
PDBbind
8-mer
4jiz
RCSB PDB
PDBbind
8-mer
4lkl
RCSB PDB
PDBbind
8-mer
4lkm
RCSB PDB
PDBbind
8-mer
4mji
RCSB PDB
PDBbind
8-mer
4nxq
RCSB PDB
PDBbind
8-mer
4nxr
RCSB PDB
PDBbind
8-mer
4o2f
RCSB PDB
PDBbind
8-mer
4rxh
RCSB PDB
PDBbind
8-mer
4y7r
RCSB PDB
PDBbind
8-mer
4ysi
RCSB PDB
PDBbind
8-mer
5d7e
RCSB PDB
PDBbind
8-mer
5e2q
RCSB PDB
PDBbind
8-mer
5elq
RCSB PDB
PDBbind
8-mer
5em9
RCSB PDB
PDBbind
8-mer
5ema
RCSB PDB
PDBbind
8-mer
5emb
RCSB PDB
PDBbind
8-mer
5fjx
RCSB PDB
PDBbind
8-mer
5fpi
RCSB PDB
PDBbind
8-mer
5gmv
RCSB PDB
PDBbind
8-mer
5hjb
RCSB PDB
PDBbind
8-mer
5i25
RCSB PDB
PDBbind
8-mer
5iok
RCSB PDB
PDBbind
8-mer
5iql
RCSB PDB
PDBbind
8-mer
5jjm
RCSB PDB
PDBbind
8-mer
5mgx
RCSB PDB
PDBbind
8-mer
5n70
RCSB PDB
PDBbind
8-mer
5svi
RCSB PDB
PDBbind
8-mer
5sxm
RCSB PDB
PDBbind
8-mer
5t6p
RCSB PDB
PDBbind
8-mer
5t78
RCSB PDB
PDBbind
8-mer
5teg
RCSB PDB
PDBbind
8-mer
5tkj
RCSB PDB
PDBbind
8-mer
5tkk
RCSB PDB
PDBbind
8-mer
5vwi
RCSB PDB
PDBbind
8-mer
5vwk
RCSB PDB
PDBbind
8-mer
5wou
RCSB PDB
PDBbind
8-mer
5wtt
RCSB PDB
PDBbind
8-mer
5xjm
RCSB PDB
PDBbind
8-mer
5xn3
RCSB PDB
PDBbind
8-mer
5yba
RCSB PDB
PDBbind
8-mer
6cdm
RCSB PDB
PDBbind
8-mer
6cdo
RCSB PDB
PDBbind
8-mer
6cdp
RCSB PDB
PDBbind
8-mer
6e86
RCSB PDB
PDBbind
8-mer
6eww
RCSB PDB
PDBbind
8-mer
6fau
RCSB PDB
PDBbind
8-mer
6fav
RCSB PDB
PDBbind
8-mer
6faw
RCSB PDB
PDBbind
8-mer
6fbw
RCSB PDB
PDBbind
8-mer
6fby
RCSB PDB
PDBbind
8-mer
6fel
RCSB PDB
PDBbind
8-mer
6fi4
RCSB PDB
PDBbind
8-mer
6fi5
RCSB PDB
PDBbind
8-mer
6fmp
RCSB PDB
PDBbind
8-mer
6fx1
RCSB PDB
PDBbind
8-mer
6hpg
RCSB PDB
PDBbind
8-mer
6min
RCSB PDB
PDBbind
8-mer
6miq
RCSB PDB
PDBbind
8-mer
6q3q
RCSB PDB
PDBbind
8-mer
6qk8
RCSB PDB
PDBbind
8-mer
6q4q
RCSB PDB
PDBbind
8-mer
6mtv
RCSB PDB
PDBbind
8-mer
6mtu
RCSB PDB
PDBbind
8-mer
6ms1
RCSB PDB
PDBbind
8-mer
6mqe
RCSB PDB
PDBbind
8-mer
6mqc
RCSB PDB
PDBbind
8-mer
6jax
RCSB PDB
PDBbind
8-mer
6hmt
RCSB PDB
PDBbind
8-mer
6hhp
RCSB PDB
PDBbind
8-mer
6dtn
RCSB PDB
PDBbind
8-mer
6dql
RCSB PDB
PDBbind
8-mer
6do1
RCSB PDB
PDBbind
8-mer
Entry Information
PDB ID
6r0x
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
G6b-B
Ligand Name
8-mer
EC.Number
E.C.-.-.-.-
Resolution
3.13(Å)
Affinity (Kd/Ki/IC50)
Kd=2.00nM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Elife Vol. 8: pp. e46840.
Ligand Properties
Formula
C
4
8
H
1
0
2
N
4
O
7
6
S
1
2
Molecular Weight
2336.080
Exact Mass
2334.090
No. of atoms
242
No. of bonds
249
Polar Surface Area
1623.56
LOGP Value
-17.41 (
Computed with XLOGP3
)
-3.24 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 13
No. of Hydrogen Bond Acceptors: 53
No. of Rotatable Bonds: 39
No. of Nitrogen and Oxygen Atoms: 80
No. of Rings: 8
Canonical SMILES
OC(=O)[C@@H]1O[C@@H](O[C@@H]2[C@@H](COS(O)(O)O)O[C@@H]([C@@H]([C@H]2O)NS(O)(O)O)O[C@H]2[C@@H](O[C@H]([C@@H]([C@H]2O)OS(O)(O)O)O[C@@H]2[C@@H](COS(O)(O)O)O[C@@H]([C@@H]([C@H]2O)NS(O)(O)O)O)C(=O)O)[C@@H]([C@H]([C@@H]1O[C@H]1O[C@H](COS(O)(O)O)[C@H]([C@@H]([C@H]1NS(O)(O)O)O)O[C@@H]1O[C@@H](C(=O)O)[C@@H]([C@@H]([C@H]1OS(O)(O)O)O)O[C@H]1O[C@H](COS(O)(O)O)[C@H]([C@@H]([C@H]1NS(O)(O)O)O)O[C@@H]1O[C@H](C[C@@H]([C@H]1OS(O)(O)O)O)C(=O)O)O)OS(O)(O)O
InChI String
InChI=1S/C48H102N4O76S12/c53-6-1-7(37(61)62)111-45(23(6)125-137(94,95)96)115-25-9(3-107-134(85,86)87)112-42(13(17(25)55)50-130(73,74)75)119-29-21(59)32(127-139(100,101)102)47(123-35(29)39(65)66)117-27-11(5-109-136(91,92)93)114-44(15(19(27)57)52-132(79,80)81)121-30-22(60)33(128-140(103,104)105)48(124-36(30)40(67)68)118-26-10(4-108-135(88,89)90)113-43(14(18(26)56)51-131(76,77)78)120-28-20(58)31(126-138(97,98)99)46(122-34(28)38(63)64)116-24-8(2-106-133(82,83)84)110-41(69)12(16(24)54)49-129(70,71)72/h6-36,41-60,69-105H,1-5H2,(H,61,62)(H,63,64)(H,65,66)(H,67,68)/t6-,7+,8+,9+,10+,11+,12+,13+,14+,15+,16+,17+,18+,19+,20-,21-,22-,23+,24+,25+,26+,27+,28+,29+,30-,31+,32+,33+,34+,35+,36+,41-,42+,43+,44+,45-,46+,47+,48+/m0/s1
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UniProtKB AC
UniProt accession number (AC):
O95866
Entrez Gene ID
NCBI Entrez Gene ID:
80739
ASD
Information of known allosteric effects of PDB entries
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