Browse entries in the PDBbind-CN Database
HEADER 6RJP_COMPLEX COMPND 6RJP_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 150 SER MET THR ASP CYS GLU PHE GLY TYR ILE TYR ARG LEU SEQRES 2 A 150 ALA GLN ASP TYR LEU GLN CYS VAL LEU GLN ILE PRO GLN SEQRES 3 A 150 PRO GLY SER GLY PRO SER LYS THR SER ARG VAL LEU GLN SEQRES 4 A 150 ASN VAL ALA PHE SER VAL GLN LYS GLU VAL GLU LYS ASN SEQRES 5 A 150 LEU LYS SER CYS LEU ASP ASN VAL ASN VAL VAL SER VAL SEQRES 6 A 150 ASP THR ALA ARG THR LEU PHE ASN GLN VAL MET GLU LYS SEQRES 7 A 150 GLU PHE GLU ASP GLY ILE ILE ASN TRP GLY ARG ILE VAL SEQRES 8 A 150 THR ILE PHE ALA PHE GLU GLY ILE LEU ILE LYS LYS LEU SEQRES 9 A 150 LEU ARG GLN GLN ILE ALA PRO ASP VAL ASP THR TYR LYS SEQRES 10 A 150 GLU ILE SER TYR PHE VAL ALA GLU PHE ILE MET ASN ASN SEQRES 11 A 150 THR GLY GLU TRP ILE ARG GLN ASN GLY GLY TRP GLU ASN SEQRES 12 A 150 GLY PHE VAL LYS LYS PHE GLU HET LV A 8 264 ATOM 1 N SER A 0 22.852 -40.803 1.662 1.00114.61 N ATOM 2 CA SER A 0 22.597 -39.899 2.874 1.00115.91 C ATOM 3 C SER A 0 23.404 -38.595 2.793 1.00119.58 C ATOM 4 O SER A 0 24.237 -38.423 1.889 1.00116.97 O ATOM 5 CB SER A 0 22.841 -40.650 4.183 1.00112.19 C ATOM 6 OG SER A 0 24.092 -41.326 4.201 1.00106.73 O ATOM 7 HG SER A 0 24.121 -41.985 3.462 1.00 0.00 H ATOM 8 HN3 SER A 0 23.862 -41.046 1.619 1.00 0.00 H ATOM 9 HN2 SER A 0 22.577 -40.302 0.793 1.00 0.00 H ATOM 10 HN1 SER A 0 22.289 -41.672 1.755 1.00 0.00 H ATOM 11 N MET A 1 23.086 -37.665 3.718 1.00126.06 N ATOM 12 CA MET A 1 23.880 -36.458 3.941 1.00131.24 C ATOM 13 C MET A 1 25.300 -36.760 4.432 1.00130.58 C ATOM 14 O MET A 1 26.207 -35.955 4.275 1.00139.28 O ATOM 15 CB MET A 1 23.177 -35.534 4.956 1.00136.84 C ATOM 16 CG MET A 1 22.962 -34.084 4.485 1.00148.47 C ATOM 17 SD MET A 1 23.917 -32.765 5.339 1.00168.45 S ATOM 18 CE MET A 1 23.057 -32.596 6.907 1.00159.44 C ATOM 19 H MET A 1 22.237 -37.814 4.299 1.00 0.00 H ATOM 20 N THR A 2 25.508 -37.909 5.065 1.00124.58 N ATOM 21 CA THR A 2 26.844 -38.406 5.388 1.00122.31 C ATOM 22 C THR A 2 27.684 -38.583 4.101 1.00124.83 C ATOM 23 O THR A 2 28.875 -38.373 4.051 1.00141.83 O ATOM 24 CB THR A 2 26.743 -39.784 6.067 1.00123.03 C ATOM 25 OG1 THR A 2 25.895 -39.661 7.208 1.00123.94 O ATOM 26 CG2 THR A 2 28.057 -40.402 6.500 1.00120.33 C ATOM 27 HG1 THR A 2 25.819 -40.540 7.657 1.00 0.00 H ATOM 28 H THR A 2 24.684 -38.480 5.343 1.00 0.00 H ATOM 29 N ASP A 3 27.077 -39.054 3.024 1.00119.95 N ATOM 30 CA ASP A 3 27.762 -39.468 1.784 1.00117.31 C ATOM 31 C ASP A 3 28.206 -38.246 1.040 1.00117.28 C ATOM 32 O ASP A 3 29.285 -38.231 0.436 1.00106.22 O ATOM 33 CB ASP A 3 26.902 -40.304 0.860 1.00119.03 C ATOM 34 CG ASP A 3 26.479 -41.596 1.479 1.00119.06 C ATOM 35 OD1 ASP A 3 27.287 -42.229 2.220 1.00122.21 O ATOM 36 OD2 ASP A 3 25.313 -41.947 1.215 1.00114.12 O ATOM 37 H ASP A 3 26.041 -39.139 3.053 1.00 0.00 H ATOM 38 N CYS A 4 27.384 -37.183 1.103 1.00123.97 N ATOM 39 CA CYS A 4 27.718 -35.905 0.444 1.00125.13 C ATOM 40 C CYS A 4 28.884 -35.282 1.184 1.00114.73 C ATOM 41 O CYS A 4 29.742 -34.684 0.551 1.00124.56 O ATOM 42 CB CYS A 4 26.537 -34.939 0.407 1.00130.49 C ATOM 43 SG CYS A 4 25.085 -35.629 -0.435 1.00146.64 S ATOM 44 H CYS A 4 26.491 -37.264 1.629 1.00 0.00 H ATOM 45 N GLU A 5 28.888 -35.335 2.502 1.00100.08 N ATOM 46 CA GLU A 5 30.018 -34.856 3.281 1.00 95.06 C ATOM 47 C GLU A 5 31.307 -35.634 2.981 1.00 84.08 C ATOM 48 O GLU A 5 32.337 -35.039 2.840 1.00 80.11 O ATOM 49 CB GLU A 5 29.694 -34.994 4.762 1.00108.27 C ATOM 50 CG GLU A 5 29.755 -33.666 5.471 1.00122.69 C ATOM 51 CD GLU A 5 29.822 -33.820 6.973 1.00129.57 C ATOM 52 OE1 GLU A 5 28.826 -34.369 7.565 1.00129.03 O ATOM 53 OE2 GLU A 5 30.875 -33.418 7.529 1.00115.89 O ATOM 54 H GLU A 5 28.062 -35.729 2.996 1.00 0.00 H ATOM 55 N PHE A 6 31.240 -36.934 2.790 1.00 82.60 N ATOM 56 CA PHE A 6 32.496 -37.716 2.762 1.00 82.38 C ATOM 57 C PHE A 6 33.136 -37.584 1.390 1.00 80.71 C ATOM 58 O PHE A 6 34.365 -37.394 1.340 1.00 81.30 O ATOM 59 CB PHE A 6 32.311 -39.207 3.018 1.00 85.17 C ATOM 60 CG PHE A 6 33.570 -40.017 2.848 1.00 89.96 C ATOM 61 CD1 PHE A 6 34.539 -40.058 3.838 1.00 95.13 C ATOM 62 CD2 PHE A 6 33.774 -40.769 1.706 1.00 99.93 C ATOM 63 CE1 PHE A 6 35.692 -40.813 3.687 1.00 96.69 C ATOM 64 CE2 PHE A 6 34.921 -41.536 1.558 1.00105.82 C ATOM 65 CZ PHE A 6 35.880 -41.554 2.549 1.00102.71 C ATOM 66 H PHE A 6 30.321 -37.404 2.661 1.00 0.00 H ATOM 67 N GLY A 7 32.307 -37.504 0.328 1.00 84.03 N ATOM 68 CA GLY A 7 32.883 -37.286 -1.050 1.00 85.21 C ATOM 69 C GLY A 7 33.499 -35.908 -1.205 1.00 84.15 C ATOM 70 O GLY A 7 34.534 -35.812 -1.890 1.00 75.18 O ATOM 71 H GLY A 7 31.279 -37.592 0.458 1.00 0.00 H ATOM 72 N TYR A 8 32.870 -34.915 -0.562 1.00 86.34 N ATOM 73 CA TYR A 8 33.341 -33.528 -0.528 1.00 88.01 C ATOM 74 C TYR A 8 34.707 -33.480 0.177 1.00 87.26 C ATOM 75 O TYR A 8 35.615 -32.865 -0.310 1.00 91.70 O ATOM 76 CB TYR A 8 32.346 -32.704 0.297 1.00 90.32 C ATOM 77 CG TYR A 8 32.467 -31.228 0.092 1.00 94.90 C ATOM 78 CD1 TYR A 8 33.447 -30.500 0.742 1.00 98.93 C ATOM 79 CD2 TYR A 8 31.628 -30.577 -0.791 1.00103.26 C ATOM 80 CE1 TYR A 8 33.607 -29.149 0.497 1.00108.10 C ATOM 81 CE2 TYR A 8 31.761 -29.224 -1.033 1.00111.43 C ATOM 82 CZ TYR A 8 32.766 -28.512 -0.401 1.00114.72 C ATOM 83 OH TYR A 8 32.896 -27.173 -0.639 1.00123.93 O ATOM 84 HH TYR A 8 32.063 -26.709 -0.371 1.00 0.00 H ATOM 85 H TYR A 8 31.991 -35.143 -0.055 1.00 0.00 H ATOM 86 N ILE A 9 34.867 -34.172 1.289 1.00 76.63 N ATOM 87 CA ILE A 9 36.104 -34.159 2.039 1.00 68.09 C ATOM 88 C ILE A 9 37.177 -34.915 1.263 1.00 67.48 C ATOM 89 O ILE A 9 38.349 -34.489 1.282 1.00 73.27 O ATOM 90 CB ILE A 9 35.909 -34.716 3.459 1.00 67.32 C ATOM 91 CG1 ILE A 9 35.080 -33.739 4.290 1.00 72.95 C ATOM 92 CG2 ILE A 9 37.239 -35.019 4.133 1.00 64.18 C ATOM 93 CD1 ILE A 9 34.368 -34.361 5.488 1.00 76.86 C ATOM 94 H ILE A 9 34.075 -34.748 1.639 1.00 0.00 H ATOM 95 N TYR A 10 36.813 -36.029 0.635 1.00 67.89 N ATOM 96 CA TYR A 10 37.759 -36.779 -0.168 1.00 66.18 C ATOM 97 C TYR A 10 38.294 -35.884 -1.296 1.00 72.10 C ATOM 98 O TYR A 10 39.461 -35.850 -1.643 1.00 78.61 O ATOM 99 CB TYR A 10 37.136 -38.028 -0.760 1.00 68.27 C ATOM 100 CG TYR A 10 38.072 -38.804 -1.640 1.00 68.29 C ATOM 101 CD1 TYR A 10 39.268 -39.298 -1.167 1.00 69.58 C ATOM 102 CD2 TYR A 10 37.751 -39.063 -2.956 1.00 78.40 C ATOM 103 CE1 TYR A 10 40.128 -40.027 -1.980 1.00 74.09 C ATOM 104 CE2 TYR A 10 38.599 -39.781 -3.791 1.00 84.09 C ATOM 105 CZ TYR A 10 39.804 -40.264 -3.305 1.00 81.47 C ATOM 106 OH TYR A 10 40.652 -40.975 -4.116 1.00 85.86 O ATOM 107 HH TYR A 10 41.457 -41.236 -3.602 1.00 0.00 H ATOM 108 H TYR A 10 35.834 -36.368 0.721 1.00 0.00 H ATOM 109 N ARG A 11 37.380 -35.162 -1.930 1.00 78.76 N ATOM 110 CA ARG A 11 37.731 -34.223 -3.034 1.00 79.56 C ATOM 111 C ARG A 11 38.734 -33.202 -2.525 1.00 76.34 C ATOM 112 O ARG A 11 39.738 -32.985 -3.174 1.00 81.94 O ATOM 113 CB ARG A 11 36.488 -33.482 -3.516 1.00 89.80 C ATOM 114 CG ARG A 11 36.466 -33.212 -5.016 1.00103.90 C ATOM 115 CD ARG A 11 35.195 -32.466 -5.402 1.00110.92 C ATOM 116 NE ARG A 11 35.190 -31.161 -4.740 1.00119.03 N ATOM 117 CZ ARG A 11 34.110 -30.568 -4.250 1.00116.96 C ATOM 118 NH1 ARG A 11 32.925 -31.066 -4.558 1.00117.51 N ATOM 119 NH2 ARG A 11 34.223 -29.497 -3.467 1.00111.17 N ATOM 120 HE ARG A 11 36.098 -30.663 -4.647 1.00 0.00 H ATOM 121 HH12 ARG A 11 32.061 -30.621 -4.187 1.00 0.00 H ATOM 122 HH11 ARG A 11 32.856 -31.903 -5.171 1.00 0.00 H ATOM 123 HH22 ARG A 11 33.370 -29.038 -3.087 1.00 0.00 H ATOM 124 HH21 ARG A 11 35.164 -29.119 -3.235 1.00 0.00 H ATOM 125 H ARG A 11 36.383 -35.254 -1.647 1.00 0.00 H ATOM 126 N LEU A 12 38.471 -32.593 -1.367 1.00 70.87 N ATOM 127 CA LEU A 12 39.378 -31.614 -0.750 1.00 67.99 C ATOM 128 C LEU A 12 40.747 -32.236 -0.452 1.00 67.54 C ATOM 129 O LEU A 12 41.744 -31.565 -0.667 1.00 77.07 O ATOM 130 CB LEU A 12 38.835 -31.118 0.590 1.00 66.51 C ATOM 131 CG LEU A 12 37.644 -30.191 0.541 1.00 69.67 C ATOM 132 CD1 LEU A 12 37.166 -29.912 1.964 1.00 73.71 C ATOM 133 CD2 LEU A 12 38.022 -28.908 -0.188 1.00 71.98 C ATOM 134 H LEU A 12 37.582 -32.822 -0.878 1.00 0.00 H ATOM 135 N ALA A 13 40.805 -33.448 0.062 1.00 62.68 N ATOM 136 CA ALA A 13 42.097 -34.059 0.386 1.00 68.15 C ATOM 137 C ALA A 13 42.872 -34.437 -0.888 1.00 71.59 C ATOM 138 O ALA A 13 44.124 -34.432 -0.914 1.00 70.39 O ATOM 139 CB ALA A 13 41.845 -35.228 1.266 1.00 73.06 C ATOM 140 H ALA A 13 39.926 -33.975 0.239 1.00 0.00 H ATOM 141 N GLN A 14 42.135 -34.834 -1.904 1.00 77.78 N ATOM 142 CA GLN A 14 42.743 -35.175 -3.212 1.00 80.01 C ATOM 143 C GLN A 14 43.247 -33.881 -3.884 1.00 77.65 C ATOM 144 O GLN A 14 44.389 -33.839 -4.366 1.00 73.41 O ATOM 145 CB GLN A 14 41.733 -35.845 -4.147 1.00 84.48 C ATOM 146 CG GLN A 14 41.817 -37.373 -4.226 1.00 89.02 C ATOM 147 CD GLN A 14 43.037 -37.880 -4.951 1.00 95.90 C ATOM 148 OE1 GLN A 14 43.271 -37.540 -6.111 1.00103.45 O ATOM 149 NE2 GLN A 14 43.808 -38.724 -4.271 1.00 97.23 N ATOM 150 HE22 GLN A 14 43.564 -38.978 -3.292 1.00 0.00 H ATOM 151 HE21 GLN A 14 44.655 -39.130 -4.718 1.00 0.00 H ATOM 152 H GLN A 14 41.104 -34.910 -1.786 1.00 0.00 H ATOM 153 N ASP A 15 42.405 -32.845 -3.901 1.00 72.42 N ATOM 154 CA ASP A 15 42.834 -31.539 -4.347 1.00 69.93 C ATOM 155 C ASP A 15 44.103 -31.050 -3.665 1.00 66.18 C ATOM 156 O ASP A 15 44.957 -30.471 -4.348 1.00 64.26 O ATOM 157 CB ASP A 15 41.746 -30.429 -4.220 1.00 73.44 C ATOM 158 CG ASP A 15 40.537 -30.622 -5.210 1.00 83.59 C ATOM 159 OD1 ASP A 15 40.683 -31.500 -6.117 1.00 88.43 O ATOM 160 OD2 ASP A 15 39.431 -29.964 -5.047 1.00 85.82 O ATOM 161 H ASP A 15 41.423 -32.980 -3.588 1.00 0.00 H ATOM 162 N TYR A 16 44.203 -31.247 -2.341 1.00 64.10 N ATOM 163 CA TYR A 16 45.350 -30.712 -1.622 1.00 64.46 C ATOM 164 C TYR A 16 46.616 -31.451 -2.022 1.00 62.48 C ATOM 165 O TYR A 16 47.661 -30.858 -2.253 1.00 62.87 O ATOM 166 CB TYR A 16 45.247 -30.710 -0.091 1.00 60.05 C ATOM 167 CG TYR A 16 46.405 -30.034 0.622 1.00 56.76 C ATOM 168 CD1 TYR A 16 46.523 -28.659 0.641 1.00 57.42 C ATOM 169 CD2 TYR A 16 47.370 -30.746 1.326 1.00 58.05 C ATOM 170 CE1 TYR A 16 47.571 -28.009 1.289 1.00 58.72 C ATOM 171 CE2 TYR A 16 48.391 -30.114 2.039 1.00 56.97 C ATOM 172 CZ TYR A 16 48.522 -28.728 1.997 1.00 59.00 C ATOM 173 OH TYR A 16 49.557 -28.042 2.614 1.00 58.45 O ATOM 174 HH TYR A 16 50.422 -28.346 2.240 1.00 0.00 H ATOM 175 H TYR A 16 43.467 -31.778 -1.833 1.00 0.00 H ATOM 176 N LEU A 17 46.499 -32.728 -2.246 1.00 63.89 N ATOM 177 CA LEU A 17 47.637 -33.575 -2.585 1.00 72.46 C ATOM 178 C LEU A 17 48.155 -33.118 -3.945 1.00 78.35 C ATOM 179 O LEU A 17 49.424 -33.130 -4.174 1.00 86.97 O ATOM 180 CB LEU A 17 47.112 -35.017 -2.604 1.00 74.23 C ATOM 181 CG LEU A 17 47.987 -36.084 -3.264 1.00 74.70 C ATOM 182 CD1 LEU A 17 49.042 -36.630 -2.325 1.00 78.22 C ATOM 183 CD2 LEU A 17 47.131 -37.228 -3.780 1.00 82.13 C ATOM 184 H LEU A 17 45.556 -33.162 -2.181 1.00 0.00 H ATOM 185 N GLN A 18 47.237 -32.801 -4.854 1.00 80.82 N ATOM 186 CA GLN A 18 47.699 -32.492 -6.231 1.00 69.45 C ATOM 187 C GLN A 18 48.319 -31.097 -6.345 1.00 65.54 C ATOM 188 O GLN A 18 49.344 -30.883 -7.042 1.00 72.02 O ATOM 189 CB GLN A 18 46.525 -32.647 -7.165 1.00 71.54 C ATOM 190 CG GLN A 18 46.165 -34.111 -7.298 1.00 76.87 C ATOM 191 CD GLN A 18 45.032 -34.261 -8.261 1.00 83.35 C ATOM 192 OE1 GLN A 18 43.943 -33.718 -8.052 1.00 86.90 O ATOM 193 NE2 GLN A 18 45.323 -34.962 -9.344 1.00 96.71 N ATOM 194 HE22 GLN A 18 46.265 -35.390 -9.449 1.00 0.00 H ATOM 195 HE21 GLN A 18 44.610 -35.085 -10.091 1.00 0.00 H ATOM 196 H GLN A 18 46.227 -32.771 -4.608 1.00 0.00 H ATOM 197 N CYS A 19 47.748 -30.161 -5.612 1.00 62.10 N ATOM 198 CA CYS A 19 48.393 -28.872 -5.350 1.00 64.98 C ATOM 199 C CYS A 19 49.835 -29.067 -4.833 1.00 63.86 C ATOM 200 O CYS A 19 50.748 -28.257 -5.209 1.00 64.66 O ATOM 201 CB CYS A 19 47.529 -28.111 -4.353 1.00 71.42 C ATOM 202 SG CYS A 19 48.365 -26.790 -3.434 1.00 87.50 S ATOM 203 H CYS A 19 46.808 -30.344 -5.206 1.00 0.00 H ATOM 204 N VAL A 20 50.052 -29.934 -3.863 1.00 64.68 N ATOM 205 CA VAL A 20 51.350 -30.082 -3.229 1.00 64.33 C ATOM 206 C VAL A 20 52.346 -30.556 -4.284 1.00 66.94 C ATOM 207 O VAL A 20 53.529 -30.029 -4.265 1.00 60.52 O ATOM 208 CB VAL A 20 51.369 -31.118 -2.094 1.00 63.93 C ATOM 209 CG1 VAL A 20 52.741 -31.181 -1.460 1.00 68.22 C ATOM 210 CG2 VAL A 20 50.367 -30.854 -1.016 1.00 67.23 C ATOM 211 H VAL A 20 49.265 -30.533 -3.541 1.00 0.00 H ATOM 212 N LEU A 21 51.905 -31.561 -5.079 1.00 67.55 N ATOM 213 CA LEU A 21 52.738 -32.208 -6.110 1.00 80.17 C ATOM 214 C LEU A 21 52.708 -31.435 -7.449 1.00 81.20 C ATOM 215 O LEU A 21 53.001 -31.990 -8.528 1.00 75.14 O ATOM 216 CB LEU A 21 52.201 -33.629 -6.345 1.00 82.85 C ATOM 217 CG LEU A 21 52.241 -34.616 -5.179 1.00 75.98 C ATOM 218 CD1 LEU A 21 51.365 -35.814 -5.489 1.00 74.17 C ATOM 219 CD2 LEU A 21 53.645 -35.113 -4.909 1.00 79.64 C ATOM 220 H LEU A 21 50.927 -31.894 -4.956 1.00 0.00 H ATOM 221 N GLN A 22 52.215 -30.201 -7.443 1.00 80.21 N ATOM 222 CA GLN A 22 52.127 -29.365 -8.591 1.00 77.11 C ATOM 223 C GLN A 22 51.567 -30.170 -9.786 1.00 76.09 C ATOM 224 O GLN A 22 52.035 -30.066 -10.941 1.00 80.60 O ATOM 225 CB GLN A 22 53.456 -28.672 -8.921 1.00 78.38 C ATOM 226 CG GLN A 22 54.287 -28.178 -7.757 1.00 75.01 C ATOM 227 CD GLN A 22 55.453 -29.110 -7.491 1.00 85.82 C ATOM 228 OE1 GLN A 22 56.298 -29.311 -8.352 1.00 88.91 O ATOM 229 NE2 GLN A 22 55.566 -29.657 -6.278 1.00108.49 N ATOM 230 HE22 GLN A 22 54.839 -29.477 -5.556 1.00 0.00 H ATOM 231 HE21 GLN A 22 56.381 -30.263 -6.055 1.00 0.00 H ATOM 232 H GLN A 22 51.870 -29.821 -6.538 1.00 0.00 H ATOM 233 N ILE A 23 50.458 -30.858 -9.602 1.00 71.98 N ATOM 234 CA ILE A 23 49.791 -31.548 -10.696 1.00 75.15 C ATOM 235 C ILE A 23 48.545 -30.748 -11.075 1.00 81.77 C ATOM 236 O ILE A 23 47.687 -30.448 -10.265 1.00 99.59 O ATOM 237 CB ILE A 23 49.381 -32.946 -10.219 1.00 73.86 C ATOM 238 CG1 ILE A 23 50.578 -33.892 -10.168 1.00 76.98 C ATOM 239 CG2 ILE A 23 48.236 -33.506 -11.030 1.00 73.23 C ATOM 240 CD1 ILE A 23 50.195 -35.309 -9.758 1.00 75.85 C ATOM 241 H ILE A 23 50.048 -30.909 -8.648 1.00 0.00 H ATOM 242 N PRO A 24 48.327 -30.531 -12.356 1.00 87.41 N ATOM 243 CA PRO A 24 47.031 -29.964 -12.814 1.00 89.82 C ATOM 244 C PRO A 24 45.900 -31.001 -12.790 1.00 93.07 C ATOM 245 O PRO A 24 45.944 -31.938 -13.572 1.00 99.28 O ATOM 246 CB PRO A 24 47.251 -29.490 -14.263 1.00 93.77 C ATOM 247 CG PRO A 24 48.737 -29.628 -14.493 1.00 92.35 C ATOM 248 CD PRO A 24 49.177 -30.713 -13.537 1.00 94.10 C ATOM 249 N GLN A 25 44.920 -30.814 -11.907 1.00 98.64 N ATOM 250 CA GLN A 25 43.626 -31.498 -11.971 1.00105.03 C ATOM 251 C GLN A 25 42.749 -30.797 -13.013 1.00107.33 C ATOM 252 O GLN A 25 42.906 -29.584 -13.256 1.00103.43 O ATOM 253 CB GLN A 25 42.914 -31.445 -10.625 1.00113.87 C ATOM 254 CG GLN A 25 42.615 -30.019 -10.200 1.00127.16 C ATOM 255 CD GLN A 25 42.255 -29.855 -8.744 1.00135.16 C ATOM 256 OE1 GLN A 25 41.167 -29.361 -8.446 1.00158.31 O ATOM 257 NE2 GLN A 25 43.166 -30.209 -7.839 1.00127.20 N ATOM 258 HE22 GLN A 25 44.070 -30.622 -8.145 1.00 0.00 H ATOM 259 HE21 GLN A 25 42.973 -30.072 -6.826 1.00 0.00 H ATOM 260 H GLN A 25 45.083 -30.144 -11.128 1.00 0.00 H ATOM 261 N PRO A 26 41.836 -31.558 -13.638 1.00115.28 N ATOM 262 CA PRO A 26 41.078 -31.131 -14.844 1.00123.37 C ATOM 263 C PRO A 26 39.932 -30.155 -14.548 1.00126.28 C ATOM 264 O PRO A 26 39.830 -29.684 -13.424 1.00140.42 O ATOM 265 CB PRO A 26 40.483 -32.416 -15.437 1.00118.12 C ATOM 266 CG PRO A 26 41.257 -33.526 -14.769 1.00117.14 C ATOM 267 CD PRO A 26 41.542 -32.978 -13.386 1.00114.26 C ATOM 268 N GLY A 27 39.107 -29.836 -15.544 1.00121.45 N ATOM 269 CA GLY A 27 38.024 -28.867 -15.360 1.00128.45 C ATOM 270 C GLY A 27 38.549 -27.438 -15.350 1.00139.70 C ATOM 271 O GLY A 27 39.512 -27.125 -16.057 1.00145.17 O ATOM 272 H GLY A 27 39.235 -30.285 -16.473 1.00 0.00 H ATOM 273 N SER A 28 37.934 -26.579 -14.533 1.00150.64 N ATOM 274 CA SER A 28 38.353 -25.153 -14.362 1.00159.05 C ATOM 275 C SER A 28 39.781 -25.049 -13.795 1.00166.89 C ATOM 276 O SER A 28 40.478 -24.038 -13.988 1.00165.39 O ATOM 277 CB SER A 28 37.441 -24.383 -13.410 1.00160.72 C ATOM 278 OG SER A 28 36.098 -24.863 -13.360 1.00163.78 O ATOM 279 HG SER A 28 35.576 -24.313 -12.724 1.00 0.00 H ATOM 280 H SER A 28 37.119 -26.920 -13.985 1.00 0.00 H ATOM 281 N GLY A 29 40.163 -26.072 -13.035 1.00168.06 N ATOM 282 CA GLY A 29 40.958 -25.876 -11.823 1.00156.47 C ATOM 283 C GLY A 29 40.134 -26.249 -10.594 1.00147.09 C ATOM 284 O GLY A 29 39.155 -27.025 -10.672 1.00135.43 O ATOM 285 H GLY A 29 39.889 -27.037 -13.310 1.00 0.00 H ATOM 286 N PRO A 30 40.522 -25.722 -9.420 1.00130.66 N ATOM 287 CA PRO A 30 39.940 -26.229 -8.172 1.00117.54 C ATOM 288 C PRO A 30 38.769 -25.352 -7.715 1.00107.64 C ATOM 289 O PRO A 30 38.700 -24.179 -8.113 1.00111.34 O ATOM 290 CB PRO A 30 41.084 -26.195 -7.139 1.00117.26 C ATOM 291 CG PRO A 30 42.228 -25.440 -7.837 1.00123.90 C ATOM 292 CD PRO A 30 41.666 -24.861 -9.128 1.00121.71 C ATOM 293 N SER A 31 37.895 -25.900 -6.876 1.00 98.97 N ATOM 294 CA SER A 31 36.766 -25.119 -6.367 1.00103.65 C ATOM 295 C SER A 31 37.276 -23.923 -5.528 1.00102.94 C ATOM 296 O SER A 31 38.432 -23.906 -5.022 1.00107.49 O ATOM 297 CB SER A 31 35.755 -25.976 -5.591 1.00106.59 C ATOM 298 OG SER A 31 36.289 -26.584 -4.404 1.00106.63 O ATOM 299 HG SER A 31 35.582 -27.117 -3.961 1.00 0.00 H ATOM 300 H SER A 31 38.014 -26.890 -6.579 1.00 0.00 H ATOM 301 N LYS A 32 36.378 -22.951 -5.281 1.00101.60 N ATOM 302 CA LYS A 32 36.727 -21.812 -4.414 1.00102.44 C ATOM 303 C LYS A 32 37.198 -22.381 -3.065 1.00 99.75 C ATOM 304 O LYS A 32 38.240 -21.967 -2.527 1.00103.09 O ATOM 305 CB LYS A 32 35.556 -20.835 -4.213 1.00109.98 C ATOM 306 CG LYS A 32 35.951 -19.472 -3.625 1.00118.09 C ATOM 307 CD LYS A 32 34.818 -18.536 -3.174 1.00122.53 C ATOM 308 CE LYS A 32 35.293 -17.112 -2.934 1.00128.03 C ATOM 309 NZ LYS A 32 34.271 -16.092 -3.282 1.00133.10 N ATOM 310 HZ1 LYS A 32 34.026 -16.178 -4.289 1.00 0.00 H ATOM 311 HZ2 LYS A 32 33.421 -16.243 -2.703 1.00 0.00 H ATOM 312 HZ3 LYS A 32 34.653 -15.143 -3.097 1.00 0.00 H ATOM 313 H LYS A 32 35.430 -23.004 -5.706 1.00 0.00 H ATOM 314 N THR A 33 36.381 -23.276 -2.510 1.00 94.66 N ATOM 315 CA THR A 33 36.612 -23.762 -1.148 1.00 89.63 C ATOM 316 C THR A 33 37.945 -24.502 -1.061 1.00 81.89 C ATOM 317 O THR A 33 38.654 -24.397 -0.134 1.00 79.77 O ATOM 318 CB THR A 33 35.468 -24.666 -0.705 1.00 91.88 C ATOM 319 OG1 THR A 33 34.254 -23.996 -1.035 1.00101.49 O ATOM 320 CG2 THR A 33 35.531 -24.965 0.771 1.00 91.20 C ATOM 321 HG1 THR A 33 33.485 -24.555 -0.761 1.00 0.00 H ATOM 322 H THR A 33 35.568 -23.634 -3.052 1.00 0.00 H ATOM 323 N SER A 34 38.254 -25.253 -2.110 1.00 81.17 N ATOM 324 CA SER A 34 39.523 -25.937 -2.206 1.00 84.49 C ATOM 325 C SER A 34 40.680 -24.932 -2.314 1.00 83.14 C ATOM 326 O SER A 34 41.695 -25.102 -1.638 1.00 89.44 O ATOM 327 CB SER A 34 39.555 -26.913 -3.354 1.00 86.25 C ATOM 328 OG SER A 34 40.641 -27.818 -3.175 1.00 90.68 O ATOM 329 HG SER A 34 41.491 -27.311 -3.148 1.00 0.00 H ATOM 330 H SER A 34 37.565 -25.352 -2.883 1.00 0.00 H ATOM 331 N ARG A 35 40.494 -23.892 -3.130 1.00 85.23 N ATOM 332 CA ARG A 35 41.587 -22.875 -3.314 1.00 89.91 C ATOM 333 C ARG A 35 41.887 -22.135 -2.004 1.00 80.15 C ATOM 334 O ARG A 35 43.071 -21.883 -1.643 1.00 71.12 O ATOM 335 CB ARG A 35 41.228 -21.888 -4.438 1.00112.38 C ATOM 336 CG ARG A 35 41.467 -22.404 -5.858 1.00122.74 C ATOM 337 CD ARG A 35 40.636 -21.818 -6.996 1.00122.38 C ATOM 338 NE ARG A 35 40.521 -20.369 -6.925 1.00126.90 N ATOM 339 CZ ARG A 35 39.398 -19.689 -7.149 1.00131.77 C ATOM 340 NH1 ARG A 35 38.413 -20.231 -7.853 1.00120.06 N ATOM 341 NH2 ARG A 35 39.258 -18.478 -6.629 1.00142.28 N ATOM 342 HE ARG A 35 41.375 -19.827 -6.683 1.00 0.00 H ATOM 343 HH12 ARG A 35 37.539 -19.694 -8.024 1.00 0.00 H ATOM 344 HH11 ARG A 35 38.515 -21.193 -8.234 1.00 0.00 H ATOM 345 HH22 ARG A 35 38.385 -17.938 -6.797 1.00 0.00 H ATOM 346 HH21 ARG A 35 40.021 -18.068 -6.053 1.00 0.00 H ATOM 347 H ARG A 35 39.593 -23.785 -3.639 1.00 0.00 H ATOM 348 N VAL A 36 40.810 -21.793 -1.295 1.00 73.72 N ATOM 349 CA VAL A 36 40.914 -21.148 0.012 1.00 67.53 C ATOM 350 C VAL A 36 41.648 -22.030 1.019 1.00 65.84 C ATOM 351 O VAL A 36 42.547 -21.582 1.699 1.00 62.54 O ATOM 352 CB VAL A 36 39.515 -20.887 0.563 1.00 66.49 C ATOM 353 CG1 VAL A 36 39.605 -20.350 1.974 1.00 68.47 C ATOM 354 CG2 VAL A 36 38.709 -19.955 -0.328 1.00 68.03 C ATOM 355 H VAL A 36 39.867 -21.992 -1.685 1.00 0.00 H ATOM 356 N LEU A 37 41.261 -23.296 1.092 1.00 68.94 N ATOM 357 CA LEU A 37 41.968 -24.302 1.936 1.00 70.17 C ATOM 358 C LEU A 37 43.450 -24.422 1.563 1.00 66.79 C ATOM 359 O LEU A 37 44.295 -24.365 2.439 1.00 71.15 O ATOM 360 CB LEU A 37 41.286 -25.658 1.801 1.00 70.08 C ATOM 361 CG LEU A 37 42.099 -26.806 2.368 1.00 74.83 C ATOM 362 CD1 LEU A 37 41.900 -26.856 3.874 1.00 72.12 C ATOM 363 CD2 LEU A 37 41.732 -28.121 1.671 1.00 81.00 C ATOM 364 H LEU A 37 40.433 -23.599 0.540 1.00 0.00 H ATOM 365 N GLN A 38 43.734 -24.453 0.260 1.00 62.84 N ATOM 366 CA GLN A 38 45.107 -24.701 -0.198 1.00 61.70 C ATOM 367 C GLN A 38 46.010 -23.550 0.245 1.00 58.97 C ATOM 368 O GLN A 38 47.183 -23.785 0.718 1.00 49.77 O ATOM 369 CB GLN A 38 45.167 -24.929 -1.713 1.00 65.51 C ATOM 370 CG GLN A 38 44.846 -26.351 -2.220 1.00 68.06 C ATOM 371 CD GLN A 38 44.375 -26.389 -3.669 1.00 77.00 C ATOM 372 OE1 GLN A 38 43.224 -26.688 -3.971 1.00 88.71 O ATOM 373 NE2 GLN A 38 45.244 -26.067 -4.620 1.00 79.10 N ATOM 374 HE22 GLN A 38 46.220 -25.813 -4.368 1.00 0.00 H ATOM 375 HE21 GLN A 38 44.948 -26.069 -5.617 1.00 0.00 H ATOM 376 H GLN A 38 42.977 -24.300 -0.437 1.00 0.00 H ATOM 377 N ASN A 39 45.408 -22.348 0.258 1.00 66.69 N ATOM 378 CA ASN A 39 46.271 -21.131 0.498 1.00 80.78 C ATOM 379 C ASN A 39 46.633 -21.046 1.978 1.00 73.93 C ATOM 380 O ASN A 39 47.742 -20.743 2.304 1.00 77.73 O ATOM 381 CB ASN A 39 45.567 -19.835 0.101 1.00 95.20 C ATOM 382 CG ASN A 39 45.863 -19.527 -1.345 1.00110.00 C ATOM 383 OD1 ASN A 39 46.607 -18.589 -1.637 1.00134.44 O ATOM 384 ND2 ASN A 39 45.378 -20.385 -2.233 1.00114.10 N ATOM 385 HD22 ASN A 39 44.754 -21.157 -1.923 1.00 0.00 H ATOM 386 HD21 ASN A 39 45.622 -20.286 -3.239 1.00 0.00 H ATOM 387 H ASN A 39 44.383 -22.259 0.108 1.00 0.00 H ATOM 388 N VAL A 40 45.644 -21.276 2.830 1.00 64.37 N ATOM 389 CA VAL A 40 45.813 -21.157 4.275 1.00 57.58 C ATOM 390 C VAL A 40 46.511 -22.395 4.829 1.00 54.79 C ATOM 391 O VAL A 40 47.291 -22.268 5.763 1.00 53.01 O ATOM 392 CB VAL A 40 44.524 -20.855 5.030 1.00 52.97 C ATOM 393 CG1 VAL A 40 43.488 -21.901 4.718 1.00 51.63 C ATOM 394 CG2 VAL A 40 44.814 -20.783 6.519 1.00 54.53 C ATOM 395 H VAL A 40 44.714 -21.551 2.455 1.00 0.00 H ATOM 396 N ALA A 41 46.245 -23.590 4.323 1.00 52.26 N ATOM 397 CA ALA A 41 46.971 -24.803 4.779 1.00 50.91 C ATOM 398 C ALA A 41 48.479 -24.716 4.480 1.00 48.61 C ATOM 399 O ALA A 41 49.348 -25.204 5.171 1.00 50.03 O ATOM 400 CB ALA A 41 46.339 -25.976 4.089 1.00 51.89 C ATOM 401 H ALA A 41 45.512 -23.681 3.591 1.00 0.00 H ATOM 402 N PHE A 42 48.757 -24.140 3.328 1.00 51.72 N ATOM 403 CA PHE A 42 50.158 -23.923 2.910 1.00 57.98 C ATOM 404 C PHE A 42 50.792 -22.875 3.845 1.00 55.05 C ATOM 405 O PHE A 42 51.939 -22.982 4.300 1.00 47.71 O ATOM 406 CB PHE A 42 50.191 -23.477 1.455 1.00 63.23 C ATOM 407 CG PHE A 42 51.590 -23.154 0.992 1.00 67.19 C ATOM 408 CD1 PHE A 42 52.581 -24.126 1.065 1.00 67.99 C ATOM 409 CD2 PHE A 42 51.914 -21.891 0.491 1.00 72.30 C ATOM 410 CE1 PHE A 42 53.872 -23.840 0.646 1.00 72.30 C ATOM 411 CE2 PHE A 42 53.214 -21.603 0.096 1.00 75.58 C ATOM 412 CZ PHE A 42 54.195 -22.575 0.174 1.00 74.28 C ATOM 413 H PHE A 42 47.982 -23.835 2.706 1.00 0.00 H ATOM 414 N SER A 43 49.979 -21.849 4.206 1.00 55.58 N ATOM 415 CA SER A 43 50.483 -20.839 5.116 1.00 59.92 C ATOM 416 C SER A 43 50.909 -21.495 6.446 1.00 55.48 C ATOM 417 O SER A 43 51.968 -21.243 6.957 1.00 54.64 O ATOM 418 CB SER A 43 49.478 -19.728 5.394 1.00 65.63 C ATOM 419 OG SER A 43 49.220 -18.893 4.267 1.00 70.40 O ATOM 420 HG SER A 43 48.857 -19.442 3.528 1.00 0.00 H ATOM 421 H SER A 43 49.009 -21.789 3.835 1.00 0.00 H ATOM 422 N VAL A 44 49.970 -22.276 7.001 1.00 50.01 N ATOM 423 CA VAL A 44 50.168 -23.021 8.213 1.00 49.67 C ATOM 424 C VAL A 44 51.313 -24.035 8.061 1.00 48.05 C ATOM 425 O VAL A 44 52.119 -24.248 8.990 1.00 47.26 O ATOM 426 CB VAL A 44 48.898 -23.791 8.608 1.00 50.03 C ATOM 427 CG1 VAL A 44 49.222 -24.771 9.721 1.00 48.13 C ATOM 428 CG2 VAL A 44 47.742 -22.866 9.002 1.00 52.55 C ATOM 429 H VAL A 44 49.047 -22.346 6.527 1.00 0.00 H ATOM 430 N GLN A 45 51.386 -24.749 6.961 1.00 49.18 N ATOM 431 CA GLN A 45 52.388 -25.783 6.815 1.00 52.43 C ATOM 432 C GLN A 45 53.802 -25.162 6.893 1.00 54.66 C ATOM 433 O GLN A 45 54.775 -25.733 7.444 1.00 55.24 O ATOM 434 CB GLN A 45 52.204 -26.428 5.452 1.00 58.35 C ATOM 435 CG GLN A 45 53.287 -27.445 5.121 1.00 64.75 C ATOM 436 CD GLN A 45 53.050 -28.127 3.801 1.00 64.73 C ATOM 437 OE1 GLN A 45 51.950 -28.630 3.474 1.00 60.25 O ATOM 438 NE2 GLN A 45 54.138 -28.099 3.056 1.00 70.61 N ATOM 439 HE22 GLN A 45 55.006 -27.656 3.419 1.00 0.00 H ATOM 440 HE21 GLN A 45 54.128 -28.520 2.105 1.00 0.00 H ATOM 441 H GLN A 45 50.716 -24.569 6.186 1.00 0.00 H ATOM 442 N LYS A 46 53.969 -24.022 6.242 1.00 58.58 N ATOM 443 CA LYS A 46 55.360 -23.463 6.252 1.00 61.29 C ATOM 444 C LYS A 46 55.693 -22.990 7.649 1.00 62.23 C ATOM 445 O LYS A 46 56.805 -23.034 8.010 1.00 62.54 O ATOM 446 CB LYS A 46 55.594 -22.313 5.282 1.00 61.31 C ATOM 447 CG LYS A 46 55.114 -22.558 3.879 1.00 58.72 C ATOM 448 CD LYS A 46 54.349 -21.393 3.369 1.00 58.97 C ATOM 449 CE LYS A 46 55.232 -20.252 2.927 1.00 60.09 C ATOM 450 NZ LYS A 46 54.355 -19.149 2.472 1.00 64.34 N ATOM 451 HZ1 LYS A 46 53.768 -19.479 1.680 1.00 0.00 H ATOM 452 HZ2 LYS A 46 53.743 -18.848 3.257 1.00 0.00 H ATOM 453 HZ3 LYS A 46 54.941 -18.348 2.161 1.00 0.00 H ATOM 454 H LYS A 46 53.185 -23.544 5.754 1.00 0.00 H ATOM 455 N GLU A 47 54.645 -22.573 8.385 1.00 61.41 N ATOM 456 CA GLU A 47 54.844 -22.083 9.759 1.00 67.11 C ATOM 457 C GLU A 47 55.253 -23.245 10.685 1.00 61.76 C ATOM 458 O GLU A 47 55.976 -23.070 11.601 1.00 59.76 O ATOM 459 CB GLU A 47 53.534 -21.458 10.264 1.00 73.77 C ATOM 460 CG GLU A 47 53.700 -20.172 11.046 1.00 84.71 C ATOM 461 CD GLU A 47 54.612 -19.145 10.401 1.00 96.07 C ATOM 462 OE1 GLU A 47 55.511 -18.577 11.113 1.00107.16 O ATOM 463 OE2 GLU A 47 54.443 -18.930 9.182 1.00102.98 O ATOM 464 H GLU A 47 53.688 -22.597 7.980 1.00 0.00 H ATOM 465 N VAL A 48 54.641 -24.380 10.502 1.00 61.76 N ATOM 466 CA VAL A 48 54.990 -25.595 11.211 1.00 63.36 C ATOM 467 C VAL A 48 56.423 -26.008 10.842 1.00 60.22 C ATOM 468 O VAL A 48 57.156 -26.486 11.699 1.00 66.39 O ATOM 469 CB VAL A 48 53.981 -26.709 10.873 1.00 66.08 C ATOM 470 CG1 VAL A 48 54.404 -28.071 11.422 1.00 65.19 C ATOM 471 CG2 VAL A 48 52.567 -26.336 11.329 1.00 66.28 C ATOM 472 H VAL A 48 53.863 -24.416 9.813 1.00 0.00 H ATOM 473 N GLU A 49 56.768 -25.948 9.562 1.00 66.86 N ATOM 474 CA GLU A 49 58.063 -26.484 9.071 1.00 69.24 C ATOM 475 C GLU A 49 59.243 -25.671 9.626 1.00 68.74 C ATOM 476 O GLU A 49 60.347 -26.230 9.792 1.00 65.02 O ATOM 477 CB GLU A 49 58.081 -26.500 7.533 1.00 76.74 C ATOM 478 CG GLU A 49 57.255 -27.603 6.856 1.00 84.12 C ATOM 479 CD GLU A 49 57.326 -27.791 5.329 1.00 86.57 C ATOM 480 OE1 GLU A 49 57.305 -26.790 4.563 1.00 95.19 O ATOM 481 OE2 GLU A 49 57.381 -28.961 4.899 1.00 87.28 O ATOM 482 H GLU A 49 56.112 -25.513 8.883 1.00 0.00 H ATOM 483 N LYS A 50 59.026 -24.384 9.963 1.00 68.91 N ATOM 484 CA LYS A 50 60.109 -23.577 10.418 1.00 78.54 C ATOM 485 C LYS A 50 60.206 -23.682 11.927 1.00 86.01 C ATOM 486 O LYS A 50 61.343 -23.724 12.390 1.00 93.34 O ATOM 487 CB LYS A 50 60.085 -22.095 10.011 1.00 85.92 C ATOM 488 CG LYS A 50 58.830 -21.252 10.227 1.00 89.16 C ATOM 489 CD LYS A 50 58.991 -19.804 9.671 1.00 95.10 C ATOM 490 CE LYS A 50 57.799 -19.232 8.910 1.00 93.99 C ATOM 491 NZ LYS A 50 58.022 -17.849 8.422 1.00 95.18 N ATOM 492 HZ1 LYS A 50 58.207 -17.223 9.231 1.00 0.00 H ATOM 493 HZ2 LYS A 50 58.839 -17.837 7.779 1.00 0.00 H ATOM 494 HZ3 LYS A 50 57.175 -17.521 7.915 1.00 0.00 H ATOM 495 H LYS A 50 58.070 -23.981 9.891 1.00 0.00 H ATOM 496 N ASN A 51 59.088 -23.911 12.609 1.00 89.58 N ATOM 497 CA ASN A 51 58.990 -24.054 14.050 1.00 84.05 C ATOM 498 C ASN A 51 59.562 -25.417 14.454 1.00 80.61 C ATOM 499 O ASN A 51 59.982 -25.605 15.551 1.00 94.81 O ATOM 500 CB ASN A 51 57.543 -23.841 14.502 1.00 90.59 C ATOM 501 CG ASN A 51 57.336 -22.435 15.040 1.00105.24 C ATOM 502 OD1 ASN A 51 57.896 -22.105 16.088 1.00118.94 O ATOM 503 ND2 ASN A 51 56.567 -21.594 14.343 1.00100.24 N ATOM 504 HD22 ASN A 51 56.113 -21.913 13.463 1.00 0.00 H ATOM 505 HD21 ASN A 51 56.423 -20.621 14.680 1.00 0.00 H ATOM 506 H ASN A 51 58.207 -23.995 12.062 1.00 0.00 H ATOM 507 N LEU A 52 59.538 -26.387 13.552 1.00 74.03 N ATOM 508 CA LEU A 52 60.027 -27.751 13.747 1.00 75.58 C ATOM 509 C LEU A 52 61.177 -28.154 12.824 1.00 73.95 C ATOM 510 O LEU A 52 61.290 -29.360 12.544 1.00 70.97 O ATOM 511 CB LEU A 52 58.910 -28.784 13.578 1.00 70.95 C ATOM 512 CG LEU A 52 57.634 -28.601 14.387 1.00 74.63 C ATOM 513 CD1 LEU A 52 56.704 -29.739 14.039 1.00 77.84 C ATOM 514 CD2 LEU A 52 57.837 -28.612 15.894 1.00 78.10 C ATOM 515 H LEU A 52 59.135 -26.158 12.621 1.00 0.00 H ATOM 516 N LYS A 53 62.070 -27.277 12.422 1.00 78.95 N ATOM 517 CA LYS A 53 63.276 -27.601 11.650 1.00 86.96 C ATOM 518 C LYS A 53 64.155 -28.677 12.277 1.00 85.93 C ATOM 519 O LYS A 53 64.437 -29.653 11.622 1.00 77.53 O ATOM 520 CB LYS A 53 64.113 -26.328 11.427 1.00 99.40 C ATOM 521 CG LYS A 53 64.457 -26.000 9.982 1.00109.04 C ATOM 522 CD LYS A 53 65.698 -25.125 9.804 1.00115.41 C ATOM 523 CE LYS A 53 66.970 -25.915 9.559 1.00120.88 C ATOM 524 NZ LYS A 53 66.900 -26.753 8.329 1.00118.68 N ATOM 525 HZ1 LYS A 53 66.116 -27.431 8.417 1.00 0.00 H ATOM 526 HZ2 LYS A 53 66.741 -26.142 7.503 1.00 0.00 H ATOM 527 HZ3 LYS A 53 67.795 -27.270 8.212 1.00 0.00 H ATOM 528 H LYS A 53 61.910 -26.280 12.669 1.00 0.00 H ATOM 529 N SER A 54 64.719 -28.360 13.450 1.00 99.14 N ATOM 530 CA SER A 54 65.596 -29.265 14.222 1.00102.54 C ATOM 531 C SER A 54 64.978 -30.677 14.337 1.00 94.56 C ATOM 532 O SER A 54 65.657 -31.716 14.276 1.00 90.28 O ATOM 533 CB SER A 54 65.808 -28.758 15.638 1.00106.79 C ATOM 534 OG SER A 54 66.726 -27.672 15.707 1.00115.69 O ATOM 535 HG SER A 54 66.825 -27.384 16.649 1.00 0.00 H ATOM 536 H SER A 54 64.527 -27.416 13.843 1.00 0.00 H ATOM 537 N CYS A 55 63.661 -30.621 14.522 1.00 85.71 N ATOM 538 CA CYS A 55 62.786 -31.724 14.817 1.00 82.43 C ATOM 539 C CYS A 55 62.512 -32.599 13.595 1.00 80.50 C ATOM 540 O CYS A 55 62.712 -33.776 13.661 1.00 77.07 O ATOM 541 CB CYS A 55 61.477 -31.196 15.362 1.00 79.42 C ATOM 542 SG CYS A 55 60.203 -32.454 15.104 1.00 85.53 S ATOM 543 H CYS A 55 63.219 -29.683 14.445 1.00 0.00 H ATOM 544 N LEU A 56 61.992 -32.019 12.546 1.00 79.64 N ATOM 545 CA LEU A 56 61.581 -32.740 11.361 1.00 76.22 C ATOM 546 C LEU A 56 62.733 -33.321 10.550 1.00 77.39 C ATOM 547 O LEU A 56 62.480 -34.247 9.822 1.00 73.01 O ATOM 548 CB LEU A 56 60.728 -31.819 10.483 1.00 68.94 C ATOM 549 CG LEU A 56 59.290 -31.734 10.980 1.00 69.13 C ATOM 550 CD1 LEU A 56 58.582 -30.480 10.541 1.00 72.07 C ATOM 551 CD2 LEU A 56 58.506 -32.929 10.513 1.00 70.41 C ATOM 552 H LEU A 56 61.867 -30.987 12.564 1.00 0.00 H ATOM 553 N ASP A 57 63.950 -32.859 10.742 1.00 84.56 N ATOM 554 CA ASP A 57 65.106 -33.451 10.084 1.00 96.09 C ATOM 555 C ASP A 57 65.373 -34.870 10.569 1.00 98.91 C ATOM 556 O ASP A 57 65.963 -35.677 9.866 1.00104.28 O ATOM 557 CB ASP A 57 66.303 -32.535 10.248 1.00106.57 C ATOM 558 CG ASP A 57 66.186 -31.265 9.370 1.00122.22 C ATOM 559 OD1 ASP A 57 65.057 -30.934 8.876 1.00130.59 O ATOM 560 OD2 ASP A 57 67.228 -30.594 9.153 1.00131.23 O ATOM 561 H ASP A 57 64.090 -32.050 11.380 1.00 0.00 H ATOM 562 N ASN A 58 64.866 -35.198 11.755 1.00100.34 N ATOM 563 CA ASN A 58 65.014 -36.546 12.329 1.00 99.41 C ATOM 564 C ASN A 58 63.864 -37.485 11.901 1.00 96.40 C ATOM 565 O ASN A 58 63.959 -38.714 11.918 1.00 99.66 O ATOM 566 CB ASN A 58 65.105 -36.469 13.854 1.00102.69 C ATOM 567 CG ASN A 58 66.319 -35.710 14.344 1.00105.42 C ATOM 568 OD1 ASN A 58 66.201 -34.562 14.755 1.00104.46 O ATOM 569 ND2 ASN A 58 67.485 -36.334 14.290 1.00109.59 N ATOM 570 HD22 ASN A 58 67.537 -37.310 13.933 1.00 0.00 H ATOM 571 HD21 ASN A 58 68.350 -35.849 14.604 1.00 0.00 H ATOM 572 H ASN A 58 64.347 -34.477 12.295 1.00 0.00 H ATOM 573 N VAL A 59 62.775 -36.891 11.432 1.00 91.07 N ATOM 574 CA VAL A 59 61.610 -37.654 10.989 1.00 87.05 C ATOM 575 C VAL A 59 61.878 -38.237 9.608 1.00 85.10 C ATOM 576 O VAL A 59 62.236 -37.493 8.700 1.00 82.73 O ATOM 577 CB VAL A 59 60.400 -36.715 10.902 1.00 86.51 C ATOM 578 CG1 VAL A 59 59.249 -37.346 10.138 1.00 82.48 C ATOM 579 CG2 VAL A 59 59.989 -36.234 12.288 1.00 91.37 C ATOM 580 H VAL A 59 62.749 -35.853 11.378 1.00 0.00 H ATOM 581 N ASN A 60 61.645 -39.535 9.466 1.00 83.40 N ATOM 582 CA ASN A 60 61.786 -40.194 8.140 1.00 80.28 C ATOM 583 C ASN A 60 60.587 -41.099 7.770 1.00 74.45 C ATOM 584 O ASN A 60 60.343 -42.200 8.395 1.00 68.02 O ATOM 585 CB ASN A 60 63.050 -41.043 8.075 1.00 89.11 C ATOM 586 CG ASN A 60 64.230 -40.243 7.583 1.00 98.40 C ATOM 587 OD1 ASN A 60 65.028 -39.788 8.401 1.00108.19 O ATOM 588 ND2 ASN A 60 64.314 -40.032 6.272 1.00104.19 N ATOM 589 HD22 ASN A 60 63.606 -40.446 5.632 1.00 0.00 H ATOM 590 HD21 ASN A 60 65.088 -39.453 5.887 1.00 0.00 H ATOM 591 H ASN A 60 61.360 -40.099 10.292 1.00 0.00 H ATOM 592 N VAL A 61 59.860 -40.661 6.734 1.00 68.24 N ATOM 593 CA VAL A 61 58.698 -41.355 6.308 1.00 68.54 C ATOM 594 C VAL A 61 59.099 -42.173 5.090 1.00 72.06 C ATOM 595 O VAL A 61 59.437 -41.586 4.037 1.00 71.84 O ATOM 596 CB VAL A 61 57.571 -40.384 5.975 1.00 66.23 C ATOM 597 CG1 VAL A 61 56.365 -41.147 5.472 1.00 67.07 C ATOM 598 CG2 VAL A 61 57.231 -39.521 7.174 1.00 64.10 C ATOM 599 H VAL A 61 60.152 -39.798 6.233 1.00 0.00 H ATOM 600 N VAL A 62 59.075 -43.480 5.300 1.00 75.36 N ATOM 601 CA VAL A 62 59.667 -44.488 4.372 1.00 78.98 C ATOM 602 C VAL A 62 58.633 -44.836 3.297 1.00 75.89 C ATOM 603 O VAL A 62 58.949 -44.861 2.091 1.00 81.18 O ATOM 604 CB VAL A 62 60.084 -45.794 5.088 1.00 83.42 C ATOM 605 CG1 VAL A 62 61.093 -46.570 4.246 1.00 84.29 C ATOM 606 CG2 VAL A 62 60.574 -45.574 6.518 1.00 84.44 C ATOM 607 H VAL A 62 58.615 -43.826 6.166 1.00 0.00 H ATOM 608 N SER A 63 57.401 -45.077 3.764 1.00 70.84 N ATOM 609 CA SER A 63 56.337 -45.583 2.911 1.00 73.31 C ATOM 610 C SER A 63 54.972 -45.007 3.286 1.00 72.60 C ATOM 611 O SER A 63 54.851 -44.260 4.217 1.00 76.98 O ATOM 612 CB SER A 63 56.289 -47.059 2.990 1.00 78.46 C ATOM 613 OG SER A 63 55.809 -47.439 4.260 1.00 79.44 O ATOM 614 HG SER A 63 55.775 -48.427 4.317 1.00 0.00 H ATOM 615 H SER A 63 57.199 -44.897 4.768 1.00 0.00 H ATOM 616 N VAL A 64 53.967 -45.320 2.495 1.00 74.22 N ATOM 617 CA VAL A 64 52.614 -44.847 2.753 1.00 78.57 C ATOM 618 C VAL A 64 52.101 -45.489 4.055 1.00 79.50 C ATOM 619 O VAL A 64 51.375 -44.846 4.778 1.00 84.92 O ATOM 620 CB VAL A 64 51.713 -45.121 1.546 1.00 83.42 C ATOM 621 CG1 VAL A 64 50.282 -44.652 1.775 1.00 86.72 C ATOM 622 CG2 VAL A 64 52.292 -44.466 0.308 1.00 86.30 C ATOM 623 H VAL A 64 54.144 -45.921 1.665 1.00 0.00 H ATOM 624 N ASP A 65 52.597 -46.673 4.388 1.00 81.82 N ATOM 625 CA ASP A 65 52.189 -47.343 5.618 1.00 89.06 C ATOM 626 C ASP A 65 52.770 -46.700 6.858 1.00 86.41 C ATOM 627 O ASP A 65 52.079 -46.627 7.899 1.00 93.58 O ATOM 628 CB ASP A 65 52.526 -48.840 5.529 1.00102.46 C ATOM 629 CG ASP A 65 51.857 -49.549 4.315 1.00111.44 C ATOM 630 OD1 ASP A 65 50.784 -50.213 4.528 1.00125.25 O ATOM 631 OD2 ASP A 65 52.416 -49.425 3.173 1.00110.32 O ATOM 632 H ASP A 65 53.289 -47.132 3.761 1.00 0.00 H ATOM 633 N THR A 66 54.007 -46.192 6.741 1.00 80.23 N ATOM 634 CA THR A 66 54.637 -45.527 7.881 1.00 78.63 C ATOM 635 C THR A 66 54.095 -44.097 7.996 1.00 70.88 C ATOM 636 O THR A 66 54.024 -43.584 9.054 1.00 69.59 O ATOM 637 CB THR A 66 56.159 -45.406 7.756 1.00 82.02 C ATOM 638 OG1 THR A 66 56.465 -44.699 6.557 1.00 93.84 O ATOM 639 CG2 THR A 66 56.853 -46.747 7.724 1.00 85.98 C ATOM 640 HG1 THR A 66 56.102 -45.195 5.781 1.00 0.00 H ATOM 641 H THR A 66 54.518 -46.271 5.839 1.00 0.00 H ATOM 642 N ALA A 67 53.713 -43.503 6.877 1.00 65.66 N ATOM 643 CA ALA A 67 53.011 -42.232 6.826 1.00 66.61 C ATOM 644 C ALA A 67 51.655 -42.333 7.512 1.00 66.31 C ATOM 645 O ALA A 67 51.309 -41.450 8.275 1.00 63.16 O ATOM 646 CB ALA A 67 52.806 -41.781 5.398 1.00 66.91 C ATOM 647 H ALA A 67 53.929 -43.976 5.976 1.00 0.00 H ATOM 648 N ARG A 68 50.957 -43.450 7.329 1.00 67.88 N ATOM 649 CA ARG A 68 49.653 -43.666 7.968 1.00 72.74 C ATOM 650 C ARG A 68 49.805 -43.815 9.476 1.00 71.79 C ATOM 651 O ARG A 68 49.053 -43.142 10.219 1.00 68.89 O ATOM 652 CB ARG A 68 48.982 -44.938 7.466 1.00 80.54 C ATOM 653 CG ARG A 68 47.477 -44.979 7.690 1.00 86.59 C ATOM 654 CD ARG A 68 46.851 -46.244 7.122 1.00 97.63 C ATOM 655 NE ARG A 68 47.426 -46.736 5.858 1.00105.45 N ATOM 656 CZ ARG A 68 48.276 -47.761 5.765 1.00115.21 C ATOM 657 NH1 ARG A 68 48.656 -48.414 6.859 1.00125.18 N ATOM 658 NH2 ARG A 68 48.731 -48.125 4.579 1.00110.99 N ATOM 659 HE ARG A 68 47.151 -46.252 4.979 1.00 0.00 H ATOM 660 HH12 ARG A 68 49.318 -49.212 6.784 1.00 0.00 H ATOM 661 HH11 ARG A 68 48.291 -48.126 7.789 1.00 0.00 H ATOM 662 HH22 ARG A 68 49.394 -48.923 4.499 1.00 0.00 H ATOM 663 HH21 ARG A 68 48.427 -47.614 3.726 1.00 0.00 H ATOM 664 H ARG A 68 51.347 -44.193 6.715 1.00 0.00 H ATOM 665 N THR A 69 50.741 -44.679 9.901 1.00 73.36 N ATOM 666 CA THR A 69 51.034 -44.881 11.330 1.00 76.32 C ATOM 667 C THR A 69 51.307 -43.542 12.038 1.00 75.83 C ATOM 668 O THR A 69 50.884 -43.326 13.107 1.00 85.11 O ATOM 669 CB THR A 69 52.266 -45.786 11.497 1.00 78.51 C ATOM 670 OG1 THR A 69 51.943 -47.066 10.952 1.00 76.27 O ATOM 671 CG2 THR A 69 52.741 -45.942 12.928 1.00 81.11 C ATOM 672 HG1 THR A 69 51.715 -46.967 9.994 1.00 0.00 H ATOM 673 H THR A 69 51.278 -45.224 9.197 1.00 0.00 H ATOM 674 N LEU A 70 52.227 -42.748 11.486 1.00 73.01 N ATOM 675 CA LEU A 70 52.570 -41.431 11.993 1.00 67.72 C ATOM 676 C LEU A 70 51.397 -40.463 11.927 1.00 61.80 C ATOM 677 O LEU A 70 51.167 -39.753 12.886 1.00 56.16 O ATOM 678 CB LEU A 70 53.764 -40.868 11.219 1.00 66.98 C ATOM 679 CG LEU A 70 54.187 -39.456 11.641 1.00 68.90 C ATOM 680 CD1 LEU A 70 54.519 -39.347 13.126 1.00 70.25 C ATOM 681 CD2 LEU A 70 55.389 -39.018 10.846 1.00 68.66 C ATOM 682 H LEU A 70 52.728 -43.093 10.643 1.00 0.00 H ATOM 683 N PHE A 71 50.639 -40.452 10.852 1.00 59.32 N ATOM 684 CA PHE A 71 49.488 -39.546 10.715 1.00 58.20 C ATOM 685 C PHE A 71 48.471 -39.814 11.818 1.00 60.56 C ATOM 686 O PHE A 71 48.093 -38.885 12.568 1.00 65.91 O ATOM 687 CB PHE A 71 48.820 -39.660 9.344 1.00 56.29 C ATOM 688 CG PHE A 71 47.595 -38.793 9.203 1.00 53.61 C ATOM 689 CD1 PHE A 71 47.699 -37.481 8.798 1.00 53.86 C ATOM 690 CD2 PHE A 71 46.338 -39.289 9.475 1.00 52.62 C ATOM 691 CE1 PHE A 71 46.571 -36.682 8.692 1.00 54.89 C ATOM 692 CE2 PHE A 71 45.207 -38.511 9.307 1.00 51.59 C ATOM 693 CZ PHE A 71 45.325 -37.196 8.951 1.00 52.54 C ATOM 694 H PHE A 71 50.861 -41.105 10.074 1.00 0.00 H ATOM 695 N ASN A 72 48.130 -41.090 12.022 1.00 60.63 N ATOM 696 CA ASN A 72 47.088 -41.443 12.998 1.00 63.89 C ATOM 697 C ASN A 72 47.585 -41.162 14.404 1.00 63.64 C ATOM 698 O ASN A 72 46.778 -40.684 15.252 1.00 64.99 O ATOM 699 CB ASN A 72 46.651 -42.887 12.861 1.00 68.38 C ATOM 700 CG ASN A 72 46.024 -43.134 11.510 1.00 71.79 C ATOM 701 OD1 ASN A 72 46.556 -43.915 10.738 1.00 74.95 O ATOM 702 ND2 ASN A 72 44.933 -42.453 11.191 1.00 77.32 N ATOM 703 HD22 ASN A 72 44.510 -41.797 11.878 1.00 0.00 H ATOM 704 HD21 ASN A 72 44.500 -42.575 10.254 1.00 0.00 H ATOM 705 H ASN A 72 48.607 -41.842 11.484 1.00 0.00 H ATOM 706 N GLN A 73 48.877 -41.416 14.681 1.00 65.87 N ATOM 707 CA GLN A 73 49.445 -41.178 16.009 1.00 67.46 C ATOM 708 C GLN A 73 49.443 -39.664 16.303 1.00 67.89 C ATOM 709 O GLN A 73 49.181 -39.219 17.437 1.00 78.33 O ATOM 710 CB GLN A 73 50.837 -41.831 15.981 1.00 78.54 C ATOM 711 CG GLN A 73 51.836 -41.399 17.074 1.00 99.00 C ATOM 712 CD GLN A 73 53.264 -41.881 16.858 1.00107.45 C ATOM 713 OE1 GLN A 73 53.572 -42.609 15.885 1.00110.00 O ATOM 714 NE2 GLN A 73 54.145 -41.472 17.780 1.00 92.14 N ATOM 715 HE22 GLN A 73 53.832 -40.868 18.567 1.00 0.00 H ATOM 716 HE21 GLN A 73 55.142 -41.758 17.709 1.00 0.00 H ATOM 717 H GLN A 73 49.490 -41.792 13.930 1.00 0.00 H ATOM 718 N VAL A 74 49.777 -38.846 15.298 1.00 65.16 N ATOM 719 CA VAL A 74 49.944 -37.441 15.470 1.00 60.10 C ATOM 720 C VAL A 74 48.575 -36.799 15.600 1.00 59.97 C ATOM 721 O VAL A 74 48.366 -35.959 16.475 1.00 58.31 O ATOM 722 CB VAL A 74 50.749 -36.796 14.344 1.00 57.36 C ATOM 723 CG1 VAL A 74 50.523 -35.308 14.397 1.00 59.13 C ATOM 724 CG2 VAL A 74 52.240 -37.101 14.402 1.00 56.07 C ATOM 725 H VAL A 74 49.921 -39.253 14.352 1.00 0.00 H ATOM 726 N MET A 75 47.591 -37.290 14.839 1.00 62.40 N ATOM 727 CA MET A 75 46.262 -36.685 14.879 1.00 66.53 C ATOM 728 C MET A 75 45.569 -37.092 16.189 1.00 67.01 C ATOM 729 O MET A 75 44.801 -36.323 16.723 1.00 66.44 O ATOM 730 CB MET A 75 45.443 -37.157 13.675 1.00 68.93 C ATOM 731 CG MET A 75 45.815 -36.511 12.356 1.00 67.48 C ATOM 732 SD MET A 75 45.751 -34.698 12.396 1.00 66.75 S ATOM 733 CE MET A 75 47.402 -34.437 11.744 1.00 71.07 C ATOM 734 H MET A 75 47.772 -38.104 14.218 1.00 0.00 H ATOM 735 N GLU A 76 45.836 -38.272 16.717 1.00 73.93 N ATOM 736 CA GLU A 76 45.279 -38.727 17.954 1.00 84.66 C ATOM 737 C GLU A 76 45.819 -37.859 19.096 1.00 80.98 C ATOM 738 O GLU A 76 45.022 -37.486 19.930 1.00 74.60 O ATOM 739 CB GLU A 76 45.496 -40.236 18.069 1.00101.96 C ATOM 740 CG GLU A 76 44.709 -40.894 19.179 1.00112.06 C ATOM 741 CD GLU A 76 45.469 -40.916 20.493 1.00117.05 C ATOM 742 OE1 GLU A 76 46.721 -41.059 20.435 1.00116.78 O ATOM 743 OE2 GLU A 76 44.822 -40.705 21.553 1.00116.31 O ATOM 744 H GLU A 76 46.485 -38.904 16.207 1.00 0.00 H ATOM 745 N LYS A 77 47.085 -37.513 19.090 1.00 76.17 N ATOM 746 CA LYS A 77 47.739 -36.700 20.108 1.00 74.69 C ATOM 747 C LYS A 77 47.345 -35.225 19.938 1.00 66.45 C ATOM 748 O LYS A 77 47.372 -34.471 20.858 1.00 61.05 O ATOM 749 CB LYS A 77 49.262 -36.868 19.999 1.00 81.76 C ATOM 750 CG LYS A 77 49.865 -38.031 20.792 1.00 97.18 C ATOM 751 CD LYS A 77 51.024 -37.632 21.753 1.00104.31 C ATOM 752 CE LYS A 77 52.176 -38.628 21.845 1.00108.20 C ATOM 753 NZ LYS A 77 52.158 -39.443 23.086 1.00113.43 N ATOM 754 HZ1 LYS A 77 52.222 -38.815 23.913 1.00 0.00 H ATOM 755 HZ2 LYS A 77 51.272 -39.986 23.130 1.00 0.00 H ATOM 756 HZ3 LYS A 77 52.967 -40.097 23.082 1.00 0.00 H ATOM 757 H LYS A 77 47.668 -37.845 18.296 1.00 0.00 H ATOM 758 N GLU A 78 47.048 -34.791 18.698 1.00 65.91 N ATOM 759 CA GLU A 78 46.626 -33.393 18.497 1.00 68.77 C ATOM 760 C GLU A 78 45.204 -33.175 19.105 1.00 70.85 C ATOM 761 O GLU A 78 44.948 -32.197 19.782 1.00 73.77 O ATOM 762 CB GLU A 78 46.641 -33.017 17.018 1.00 67.49 C ATOM 763 CG GLU A 78 46.546 -31.518 16.756 1.00 66.36 C ATOM 764 CD GLU A 78 46.229 -31.161 15.313 1.00 68.03 C ATOM 765 OE1 GLU A 78 46.572 -31.977 14.434 1.00 68.26 O ATOM 766 OE2 GLU A 78 45.657 -30.064 15.064 1.00 68.29 O ATOM 767 H GLU A 78 47.116 -35.439 17.887 1.00 0.00 H ATOM 768 N PHE A 79 44.264 -34.080 18.852 1.00 71.73 N ATOM 769 CA PHE A 79 42.888 -33.813 19.270 1.00 78.49 C ATOM 770 C PHE A 79 42.549 -34.509 20.568 1.00 88.39 C ATOM 771 O PHE A 79 41.351 -34.612 20.875 1.00 97.31 O ATOM 772 CB PHE A 79 41.946 -34.219 18.138 1.00 76.94 C ATOM 773 CG PHE A 79 42.125 -33.397 16.896 1.00 74.50 C ATOM 774 CD1 PHE A 79 41.297 -32.316 16.662 1.00 74.51 C ATOM 775 CD2 PHE A 79 43.115 -33.690 15.979 1.00 70.21 C ATOM 776 CE1 PHE A 79 41.439 -31.546 15.524 1.00 69.09 C ATOM 777 CE2 PHE A 79 43.269 -32.896 14.860 1.00 70.59 C ATOM 778 CZ PHE A 79 42.429 -31.837 14.632 1.00 69.89 C ATOM 779 H PHE A 79 44.504 -34.966 18.363 1.00 0.00 H ATOM 780 N GLU A 80 43.563 -34.924 21.357 1.00 86.45 N ATOM 781 CA GLU A 80 43.226 -35.746 22.544 1.00 91.87 C ATOM 782 C GLU A 80 42.734 -34.831 23.679 1.00 86.95 C ATOM 783 O GLU A 80 42.115 -35.282 24.632 1.00 97.70 O ATOM 784 CB GLU A 80 44.306 -36.722 23.075 1.00 96.63 C ATOM 785 CG GLU A 80 45.675 -36.164 23.488 1.00 99.46 C ATOM 786 CD GLU A 80 46.735 -37.175 23.965 1.00100.18 C ATOM 787 OE1 GLU A 80 46.749 -38.391 23.548 1.00 88.12 O ATOM 788 OE2 GLU A 80 47.622 -36.722 24.709 1.00107.71 O ATOM 789 H GLU A 80 44.549 -34.675 21.139 1.00 0.00 H ATOM 790 N ASP A 81 42.921 -33.535 23.529 1.00 87.15 N ATOM 791 CA ASP A 81 42.331 -32.564 24.428 1.00 86.89 C ATOM 792 C ASP A 81 40.889 -32.192 24.048 1.00 82.34 C ATOM 793 O ASP A 81 40.272 -31.364 24.680 1.00 73.42 O ATOM 794 CB ASP A 81 43.285 -31.385 24.555 1.00 92.67 C ATOM 795 CG ASP A 81 43.347 -30.547 23.292 1.00 92.02 C ATOM 796 OD1 ASP A 81 42.824 -31.064 22.292 1.00 97.78 O ATOM 797 OD2 ASP A 81 43.897 -29.403 23.306 1.00 91.62 O ATOM 798 H ASP A 81 43.510 -33.199 22.741 1.00 0.00 H ATOM 799 N GLY A 82 40.338 -32.850 23.048 1.00 86.73 N ATOM 800 CA GLY A 82 38.907 -32.761 22.707 1.00 96.57 C ATOM 801 C GLY A 82 38.495 -31.469 22.009 1.00101.65 C ATOM 802 O GLY A 82 37.270 -31.254 21.787 1.00 96.48 O ATOM 803 H GLY A 82 40.945 -33.465 22.469 1.00 0.00 H ATOM 804 N ILE A 83 39.464 -30.609 21.634 1.00 98.83 N ATOM 805 CA ILE A 83 39.105 -29.324 21.068 1.00 96.97 C ATOM 806 C ILE A 83 39.210 -29.376 19.542 1.00 84.99 C ATOM 807 O ILE A 83 40.264 -29.755 19.055 1.00 73.42 O ATOM 808 CB ILE A 83 39.968 -28.149 21.548 1.00101.51 C ATOM 809 CG1 ILE A 83 40.195 -28.159 23.057 1.00104.10 C ATOM 810 CG2 ILE A 83 39.352 -26.834 21.078 1.00106.71 C ATOM 811 CD1 ILE A 83 41.536 -27.593 23.460 1.00102.56 C ATOM 812 H ILE A 83 40.465 -30.867 21.751 1.00 0.00 H ATOM 813 N ILE A 84 38.139 -29.025 18.854 1.00 84.12 N ATOM 814 CA ILE A 84 38.101 -28.978 17.429 1.00 87.18 C ATOM 815 C ILE A 84 37.727 -27.560 17.035 1.00 90.89 C ATOM 816 O ILE A 84 36.721 -27.089 17.452 1.00 95.76 O ATOM 817 CB ILE A 84 37.085 -29.973 16.844 1.00 90.57 C ATOM 818 CG1 ILE A 84 37.358 -31.419 17.276 1.00 89.48 C ATOM 819 CG2 ILE A 84 37.055 -29.832 15.322 1.00 96.58 C ATOM 820 CD1 ILE A 84 36.318 -32.424 16.772 1.00 87.43 C ATOM 821 H ILE A 84 37.278 -28.769 19.379 1.00 0.00 H ATOM 822 N ASN A 85 38.606 -26.918 16.282 1.00 96.00 N ATOM 823 CA ASN A 85 38.289 -25.664 15.597 1.00 91.12 C ATOM 824 C ASN A 85 38.890 -25.697 14.187 1.00 86.39 C ATOM 825 O ASN A 85 39.758 -26.525 13.896 1.00 78.40 O ATOM 826 CB ASN A 85 38.791 -24.468 16.391 1.00 89.89 C ATOM 827 CG ASN A 85 40.282 -24.556 16.589 1.00 89.33 C ATOM 828 OD1 ASN A 85 40.899 -25.575 16.297 1.00 92.36 O ATOM 829 ND2 ASN A 85 40.872 -23.488 17.074 1.00 91.69 N ATOM 830 HD22 ASN A 85 40.310 -22.645 17.308 1.00 0.00 H ATOM 831 HD21 ASN A 85 41.901 -23.485 17.224 1.00 0.00 H ATOM 832 H ASN A 85 39.559 -27.320 16.173 1.00 0.00 H ATOM 833 N TRP A 86 38.397 -24.833 13.304 1.00 87.17 N ATOM 834 CA TRP A 86 38.770 -24.811 11.915 1.00 78.54 C ATOM 835 C TRP A 86 40.277 -24.751 11.708 1.00 72.09 C ATOM 836 O TRP A 86 40.785 -25.324 10.727 1.00 81.73 O ATOM 837 CB TRP A 86 38.225 -23.552 11.292 1.00 79.04 C ATOM 838 CG TRP A 86 36.795 -23.714 10.946 1.00 85.67 C ATOM 839 CD1 TRP A 86 35.754 -22.966 11.392 1.00 92.65 C ATOM 840 CD2 TRP A 86 36.250 -24.731 10.098 1.00 85.07 C ATOM 841 NE1 TRP A 86 34.593 -23.424 10.834 1.00 97.05 N ATOM 842 CE2 TRP A 86 34.867 -24.500 10.028 1.00 88.85 C ATOM 843 CE3 TRP A 86 36.790 -25.805 9.389 1.00 82.93 C ATOM 844 CZ2 TRP A 86 34.018 -25.300 9.266 1.00 84.96 C ATOM 845 CZ3 TRP A 86 35.949 -26.604 8.647 1.00 81.15 C ATOM 846 CH2 TRP A 86 34.580 -26.355 8.593 1.00 81.59 C ATOM 847 HE1 TRP A 86 33.649 -23.020 10.995 1.00 0.00 H ATOM 848 H TRP A 86 37.703 -24.134 13.637 1.00 0.00 H ATOM 849 N GLY A 87 40.991 -24.012 12.527 1.00 69.01 N ATOM 850 CA GLY A 87 42.434 -23.909 12.391 1.00 69.43 C ATOM 851 C GLY A 87 43.042 -25.277 12.555 1.00 70.65 C ATOM 852 O GLY A 87 43.963 -25.599 11.899 1.00 66.77 O ATOM 853 H GLY A 87 40.513 -23.490 13.289 1.00 0.00 H ATOM 854 N ARG A 88 42.520 -26.075 13.476 1.00 76.76 N ATOM 855 CA ARG A 88 43.111 -27.405 13.754 1.00 76.09 C ATOM 856 C ARG A 88 42.755 -28.330 12.571 1.00 67.01 C ATOM 857 O ARG A 88 43.524 -29.182 12.184 1.00 61.24 O ATOM 858 CB ARG A 88 42.589 -27.974 15.076 1.00 78.38 C ATOM 859 CG ARG A 88 43.432 -27.635 16.288 1.00 82.09 C ATOM 860 CD ARG A 88 42.710 -28.037 17.573 1.00 88.68 C ATOM 861 NE ARG A 88 43.471 -27.706 18.786 1.00 89.55 N ATOM 862 CZ ARG A 88 43.507 -28.430 19.900 1.00 81.10 C ATOM 863 NH1 ARG A 88 42.787 -29.532 19.991 1.00 83.10 N ATOM 864 NH2 ARG A 88 44.288 -28.066 20.897 1.00 70.89 N ATOM 865 HE ARG A 88 44.030 -26.829 18.771 1.00 0.00 H ATOM 866 HH12 ARG A 88 42.814 -30.100 20.862 1.00 0.00 H ATOM 867 HH11 ARG A 88 42.193 -29.832 19.192 1.00 0.00 H ATOM 868 HH22 ARG A 88 44.316 -28.632 21.769 1.00 0.00 H ATOM 869 HH21 ARG A 88 44.876 -27.212 20.812 1.00 0.00 H ATOM 870 H ARG A 88 41.684 -25.763 14.011 1.00 0.00 H ATOM 871 N ILE A 89 41.605 -28.119 11.979 1.00 62.36 N ATOM 872 CA ILE A 89 41.208 -28.864 10.821 1.00 64.75 C ATOM 873 C ILE A 89 42.179 -28.579 9.680 1.00 65.06 C ATOM 874 O ILE A 89 42.608 -29.525 8.969 1.00 63.90 O ATOM 875 CB ILE A 89 39.776 -28.571 10.403 1.00 65.58 C ATOM 876 CG1 ILE A 89 38.824 -29.293 11.344 1.00 73.19 C ATOM 877 CG2 ILE A 89 39.559 -29.041 8.986 1.00 63.73 C ATOM 878 CD1 ILE A 89 37.438 -28.701 11.404 1.00 82.66 C ATOM 879 H ILE A 89 40.965 -27.393 12.359 1.00 0.00 H ATOM 880 N VAL A 90 42.575 -27.327 9.516 1.00 62.90 N ATOM 881 CA VAL A 90 43.552 -26.937 8.475 1.00 57.29 C ATOM 882 C VAL A 90 44.858 -27.681 8.708 1.00 54.49 C ATOM 883 O VAL A 90 45.438 -28.109 7.744 1.00 54.63 O ATOM 884 CB VAL A 90 43.739 -25.421 8.535 1.00 58.42 C ATOM 885 CG1 VAL A 90 45.085 -24.967 7.995 1.00 57.96 C ATOM 886 CG2 VAL A 90 42.578 -24.747 7.822 1.00 60.20 C ATOM 887 H VAL A 90 42.186 -26.592 10.140 1.00 0.00 H ATOM 888 N THR A 91 45.238 -27.935 9.951 1.00 51.41 N ATOM 889 CA THR A 91 46.544 -28.498 10.332 1.00 52.21 C ATOM 890 C THR A 91 46.624 -29.951 9.896 1.00 52.71 C ATOM 891 O THR A 91 47.723 -30.455 9.650 1.00 50.44 O ATOM 892 CB THR A 91 46.791 -28.363 11.828 1.00 54.84 C ATOM 893 OG1 THR A 91 45.716 -28.941 12.563 1.00 62.86 O ATOM 894 CG2 THR A 91 46.903 -26.919 12.238 1.00 58.05 C ATOM 895 HG1 THR A 91 44.873 -28.477 12.332 1.00 0.00 H ATOM 896 H THR A 91 44.564 -27.721 10.714 1.00 0.00 H ATOM 897 N ILE A 92 45.495 -30.631 9.820 1.00 53.53 N ATOM 898 CA ILE A 92 45.441 -31.994 9.317 1.00 52.95 C ATOM 899 C ILE A 92 45.906 -32.009 7.857 1.00 52.26 C ATOM 900 O ILE A 92 46.741 -32.742 7.413 1.00 52.68 O ATOM 901 CB ILE A 92 43.993 -32.510 9.391 1.00 52.61 C ATOM 902 CG1 ILE A 92 43.485 -32.540 10.833 1.00 50.43 C ATOM 903 CG2 ILE A 92 43.867 -33.892 8.732 1.00 51.60 C ATOM 904 CD1 ILE A 92 42.025 -32.793 10.873 1.00 50.47 C ATOM 905 H ILE A 92 44.613 -30.176 10.131 1.00 0.00 H ATOM 906 N PHE A 93 45.455 -31.056 7.087 1.00 50.37 N ATOM 907 CA PHE A 93 45.882 -30.954 5.669 1.00 46.40 C ATOM 908 C PHE A 93 47.361 -30.568 5.590 1.00 44.46 C ATOM 909 O PHE A 93 48.135 -31.058 4.818 1.00 51.79 O ATOM 910 CB PHE A 93 45.091 -29.872 4.972 1.00 45.40 C ATOM 911 CG PHE A 93 43.710 -30.342 4.669 1.00 47.36 C ATOM 912 CD1 PHE A 93 43.461 -31.147 3.582 1.00 52.97 C ATOM 913 CD2 PHE A 93 42.678 -30.049 5.514 1.00 52.23 C ATOM 914 CE1 PHE A 93 42.175 -31.574 3.293 1.00 56.64 C ATOM 915 CE2 PHE A 93 41.390 -30.476 5.236 1.00 54.50 C ATOM 916 CZ PHE A 93 41.138 -31.236 4.131 1.00 53.50 C ATOM 917 H PHE A 93 44.787 -30.358 7.473 1.00 0.00 H ATOM 918 N ALA A 94 47.700 -29.564 6.347 1.00 43.32 N ATOM 919 CA ALA A 94 49.056 -29.041 6.442 1.00 48.07 C ATOM 920 C ALA A 94 49.989 -30.173 6.779 1.00 53.06 C ATOM 921 O ALA A 94 51.045 -30.269 6.213 1.00 63.36 O ATOM 922 CB ALA A 94 49.162 -27.962 7.468 1.00 49.11 C ATOM 923 H ALA A 94 46.959 -29.109 6.917 1.00 0.00 H ATOM 924 N PHE A 95 49.576 -31.069 7.640 1.00 51.12 N ATOM 925 CA PHE A 95 50.470 -32.187 8.023 1.00 53.24 C ATOM 926 C PHE A 95 50.513 -33.254 6.927 1.00 53.70 C ATOM 927 O PHE A 95 51.561 -33.770 6.643 1.00 57.32 O ATOM 928 CB PHE A 95 50.053 -32.803 9.366 1.00 52.20 C ATOM 929 CG PHE A 95 51.040 -33.817 9.875 1.00 49.82 C ATOM 930 CD1 PHE A 95 52.358 -33.458 10.074 1.00 47.62 C ATOM 931 CD2 PHE A 95 50.666 -35.125 10.123 1.00 49.96 C ATOM 932 CE1 PHE A 95 53.285 -34.379 10.524 1.00 47.07 C ATOM 933 CE2 PHE A 95 51.600 -36.045 10.573 1.00 49.26 C ATOM 934 CZ PHE A 95 52.906 -35.671 10.771 1.00 47.76 C ATOM 935 H PHE A 95 48.624 -30.996 8.053 1.00 0.00 H ATOM 936 N GLU A 96 49.403 -33.482 6.249 1.00 47.98 N ATOM 937 CA GLU A 96 49.381 -34.343 5.035 1.00 47.94 C ATOM 938 C GLU A 96 50.511 -33.909 4.074 1.00 49.11 C ATOM 939 O GLU A 96 51.167 -34.731 3.413 1.00 49.90 O ATOM 940 CB GLU A 96 48.003 -34.122 4.381 1.00 46.45 C ATOM 941 CG GLU A 96 47.748 -34.867 3.104 1.00 47.36 C ATOM 942 CD GLU A 96 46.477 -34.448 2.329 1.00 53.08 C ATOM 943 OE1 GLU A 96 45.519 -33.775 2.938 1.00 49.14 O ATOM 944 OE2 GLU A 96 46.416 -34.791 1.085 1.00 48.79 O ATOM 945 H GLU A 96 48.516 -33.046 6.573 1.00 0.00 H ATOM 946 N GLY A 97 50.566 -32.563 3.866 1.00 46.08 N ATOM 947 CA GLY A 97 51.471 -31.983 2.932 1.00 44.48 C ATOM 948 C GLY A 97 52.912 -32.328 3.317 1.00 44.28 C ATOM 949 O GLY A 97 53.833 -32.653 2.494 1.00 40.53 O ATOM 950 H GLY A 97 49.929 -31.942 4.405 1.00 0.00 H ATOM 951 N ILE A 98 53.151 -32.309 4.613 1.00 46.39 N ATOM 952 CA ILE A 98 54.505 -32.558 5.153 1.00 53.42 C ATOM 953 C ILE A 98 54.853 -34.015 4.948 1.00 54.69 C ATOM 954 O ILE A 98 56.045 -34.321 4.579 1.00 48.70 O ATOM 955 CB ILE A 98 54.515 -32.211 6.643 1.00 55.68 C ATOM 956 CG1 ILE A 98 54.278 -30.716 6.831 1.00 56.63 C ATOM 957 CG2 ILE A 98 55.810 -32.662 7.310 1.00 56.98 C ATOM 958 CD1 ILE A 98 53.881 -30.351 8.213 1.00 59.07 C ATOM 959 H ILE A 98 52.369 -32.114 5.271 1.00 0.00 H ATOM 960 N LEU A 99 53.866 -34.893 5.183 1.00 58.99 N ATOM 961 CA LEU A 99 54.082 -36.332 4.992 1.00 62.33 C ATOM 962 C LEU A 99 54.372 -36.657 3.540 1.00 60.97 C ATOM 963 O LEU A 99 55.213 -37.536 3.257 1.00 62.74 O ATOM 964 CB LEU A 99 52.786 -37.055 5.370 1.00 62.87 C ATOM 965 CG LEU A 99 52.463 -37.093 6.850 1.00 64.65 C ATOM 966 CD1 LEU A 99 51.014 -37.480 7.036 1.00 68.56 C ATOM 967 CD2 LEU A 99 53.386 -38.052 7.557 1.00 64.61 C ATOM 968 H LEU A 99 52.938 -34.550 5.504 1.00 0.00 H ATOM 969 N ILE A 100 53.729 -35.932 2.601 1.00 56.35 N ATOM 970 CA ILE A 100 54.027 -36.167 1.213 1.00 57.24 C ATOM 971 C ILE A 100 55.466 -35.679 0.860 1.00 55.64 C ATOM 972 O ILE A 100 56.200 -36.344 0.164 1.00 53.40 O ATOM 973 CB ILE A 100 52.997 -35.482 0.327 1.00 56.21 C ATOM 974 CG1 ILE A 100 51.661 -36.214 0.472 1.00 62.82 C ATOM 975 CG2 ILE A 100 53.497 -35.436 -1.100 1.00 55.10 C ATOM 976 CD1 ILE A 100 50.417 -35.342 0.376 1.00 63.73 C ATOM 977 H ILE A 100 53.029 -35.214 2.876 1.00 0.00 H ATOM 978 N LYS A 101 55.881 -34.539 1.367 1.00 57.91 N ATOM 979 CA LYS A 101 57.175 -34.000 1.090 1.00 59.33 C ATOM 980 C LYS A 101 58.268 -34.923 1.608 1.00 59.62 C ATOM 981 O LYS A 101 59.376 -35.053 1.058 1.00 59.52 O ATOM 982 CB LYS A 101 57.316 -32.633 1.757 1.00 63.66 C ATOM 983 CG LYS A 101 56.554 -31.484 1.080 1.00 68.60 C ATOM 984 CD LYS A 101 57.115 -30.098 1.389 1.00 75.31 C ATOM 985 CE LYS A 101 58.613 -30.137 1.644 1.00 82.28 C ATOM 986 NZ LYS A 101 59.132 -28.805 2.016 1.00 91.49 N ATOM 987 HZ1 LYS A 101 58.946 -28.134 1.244 1.00 0.00 H ATOM 988 HZ2 LYS A 101 58.658 -28.479 2.882 1.00 0.00 H ATOM 989 HZ3 LYS A 101 60.157 -28.868 2.183 1.00 0.00 H ATOM 990 H LYS A 101 55.243 -34.009 1.994 1.00 0.00 H ATOM 991 N LYS A 102 58.006 -35.518 2.742 1.00 63.08 N ATOM 992 CA LYS A 102 59.044 -36.399 3.356 1.00 73.12 C ATOM 993 C LYS A 102 59.066 -37.702 2.579 1.00 74.41 C ATOM 994 O LYS A 102 60.075 -38.347 2.451 1.00 78.53 O ATOM 995 CB LYS A 102 58.743 -36.696 4.832 1.00 76.30 C ATOM 996 CG LYS A 102 59.256 -35.654 5.835 1.00 81.41 C ATOM 997 CD LYS A 102 60.545 -36.000 6.595 1.00 82.15 C ATOM 998 CE LYS A 102 61.783 -35.260 6.131 1.00 84.14 C ATOM 999 NZ LYS A 102 62.045 -34.077 6.978 1.00 80.92 N ATOM 1000 HZ1 LYS A 102 61.232 -33.430 6.929 1.00 0.00 H ATOM 1001 HZ2 LYS A 102 62.188 -34.382 7.962 1.00 0.00 H ATOM 1002 HZ3 LYS A 102 62.898 -33.590 6.637 1.00 0.00 H ATOM 1003 H LYS A 102 57.088 -35.380 3.210 1.00 0.00 H ATOM 1004 N LEU A 103 57.907 -38.055 2.019 1.00 70.02 N ATOM 1005 CA LEU A 103 57.787 -39.350 1.355 1.00 73.12 C ATOM 1006 C LEU A 103 58.373 -39.312 -0.061 1.00 81.76 C ATOM 1007 O LEU A 103 59.023 -40.256 -0.485 1.00 90.43 O ATOM 1008 CB LEU A 103 56.298 -39.684 1.403 1.00 71.12 C ATOM 1009 CG LEU A 103 55.880 -41.091 1.010 1.00 74.64 C ATOM 1010 CD1 LEU A 103 56.699 -42.156 1.725 1.00 79.09 C ATOM 1011 CD2 LEU A 103 54.394 -41.277 1.301 1.00 73.94 C ATOM 1012 H LEU A 103 57.092 -37.410 2.055 1.00 0.00 H ATOM 1013 N LEU A 104 58.205 -38.203 -0.760 1.00 84.94 N ATOM 1014 CA LEU A 104 58.824 -38.069 -2.080 1.00 89.15 C ATOM 1015 C LEU A 104 60.298 -37.710 -1.954 1.00 87.36 C ATOM 1016 O LEU A 104 61.095 -37.876 -2.881 1.00 92.05 O ATOM 1017 CB LEU A 104 58.111 -37.035 -2.967 1.00 89.09 C ATOM 1018 CG LEU A 104 57.811 -35.664 -2.368 1.00 90.17 C ATOM 1019 CD1 LEU A 104 59.002 -34.696 -2.451 1.00 96.42 C ATOM 1020 CD2 LEU A 104 56.593 -35.101 -3.089 1.00 82.66 C ATOM 1021 H LEU A 104 57.633 -37.426 -0.372 1.00 0.00 H ATOM 1022 N ARG A 105 60.702 -37.280 -0.795 1.00 91.44 N ATOM 1023 CA ARG A 105 62.097 -36.938 -0.548 1.00102.79 C ATOM 1024 C ARG A 105 62.927 -38.231 -0.590 1.00104.34 C ATOM 1025 O ARG A 105 64.013 -38.324 -1.177 1.00118.48 O ATOM 1026 CB ARG A 105 62.227 -36.291 0.830 1.00110.11 C ATOM 1027 CG ARG A 105 63.656 -36.004 1.264 1.00118.01 C ATOM 1028 CD ARG A 105 64.285 -34.812 0.552 1.00121.77 C ATOM 1029 NE ARG A 105 65.419 -34.306 1.310 1.00120.68 N ATOM 1030 CZ ARG A 105 65.343 -33.897 2.579 1.00129.06 C ATOM 1031 NH1 ARG A 105 64.166 -33.651 3.135 1.00132.49 N ATOM 1032 NH2 ARG A 105 66.441 -33.781 3.306 1.00132.01 N ATOM 1033 HE ARG A 105 66.343 -34.260 0.836 1.00 0.00 H ATOM 1034 HH12 ARG A 105 64.114 -33.333 4.124 1.00 0.00 H ATOM 1035 HH11 ARG A 105 63.294 -33.776 2.583 1.00 0.00 H ATOM 1036 HH22 ARG A 105 66.379 -33.462 4.294 1.00 0.00 H ATOM 1037 HH21 ARG A 105 67.367 -34.008 2.890 1.00 0.00 H ATOM 1038 H ARG A 105 60.011 -37.177 -0.024 1.00 0.00 H ATOM 1039 N GLN A 106 62.433 -39.209 0.159 1.00110.56 N ATOM 1040 CA GLN A 106 63.327 -40.352 0.452 1.00126.55 C ATOM 1041 C GLN A 106 63.157 -41.384 -0.657 1.00130.27 C ATOM 1042 O GLN A 106 64.153 -42.031 -1.059 1.00141.50 O ATOM 1043 CB GLN A 106 63.150 -40.911 1.870 1.00131.67 C ATOM 1044 CG GLN A 106 61.924 -41.774 2.104 1.00126.27 C ATOM 1045 CD GLN A 106 62.313 -43.214 2.318 1.00123.11 C ATOM 1046 OE1 GLN A 106 62.803 -43.605 3.380 1.00112.08 O ATOM 1047 NE2 GLN A 106 62.118 -44.000 1.275 1.00121.11 N ATOM 1048 HE22 GLN A 106 61.700 -43.614 0.404 1.00 0.00 H ATOM 1049 HE21 GLN A 106 62.382 -45.005 1.324 1.00 0.00 H ATOM 1050 H GLN A 106 61.460 -39.174 0.524 1.00 0.00 H ATOM 1051 N GLN A 107 61.928 -41.515 -1.144 1.00136.00 N ATOM 1052 CA GLN A 107 61.661 -42.562 -2.163 1.00157.41 C ATOM 1053 C GLN A 107 62.629 -42.256 -3.308 1.00155.44 C ATOM 1054 O GLN A 107 62.616 -41.169 -3.945 1.00154.85 O ATOM 1055 CB GLN A 107 60.169 -42.632 -2.543 1.00163.27 C ATOM 1056 CG GLN A 107 59.293 -43.420 -1.551 1.00157.87 C ATOM 1057 CD GLN A 107 57.947 -43.911 -2.063 1.00147.00 C ATOM 1058 OE1 GLN A 107 57.438 -43.494 -3.099 1.00135.97 O ATOM 1059 NE2 GLN A 107 57.337 -44.827 -1.325 1.00139.64 N ATOM 1060 HE22 GLN A 107 57.782 -45.170 -0.450 1.00 0.00 H ATOM 1061 HE21 GLN A 107 56.414 -45.203 -1.621 1.00 0.00 H ATOM 1062 H GLN A 107 61.162 -40.892 -0.816 1.00 0.00 H ATOM 1063 N ILE A 108 63.503 -43.222 -3.566 1.00153.86 N ATOM 1064 CA ILE A 108 64.337 -43.199 -4.757 1.00172.61 C ATOM 1065 C ILE A 108 63.532 -43.481 -6.038 1.00189.86 C ATOM 1066 O ILE A 108 63.921 -43.012 -7.142 1.00210.92 O ATOM 1067 CB ILE A 108 65.508 -44.169 -4.508 1.00172.47 C ATOM 1068 CG1 ILE A 108 66.759 -43.781 -5.307 1.00176.18 C ATOM 1069 CG2 ILE A 108 65.079 -45.615 -4.725 1.00167.88 C ATOM 1070 CD1 ILE A 108 67.578 -42.674 -4.667 1.00169.94 C ATOM 1071 H ILE A 108 63.593 -44.015 -2.899 1.00 0.00 H ATOM 1072 N ALA A 109 62.428 -44.218 -5.899 1.00187.70 N ATOM 1073 CA ALA A 109 61.418 -44.326 -6.983 1.00179.88 C ATOM 1074 C ALA A 109 60.028 -43.940 -6.463 1.00168.92 C ATOM 1075 O ALA A 109 59.360 -44.774 -5.836 1.00150.00 O ATOM 1076 CB ALA A 109 61.426 -45.731 -7.530 1.00181.56 C ATOM 1077 H ALA A 109 62.271 -44.730 -5.008 1.00 0.00 H ATOM 1078 N PRO A 110 59.632 -42.665 -6.702 1.00170.16 N ATOM 1079 CA PRO A 110 58.413 -42.220 -6.001 1.00159.83 C ATOM 1080 C PRO A 110 57.078 -42.555 -6.675 1.00140.33 C ATOM 1081 O PRO A 110 56.745 -41.868 -7.634 1.00152.11 O ATOM 1082 CB PRO A 110 58.526 -40.674 -5.925 1.00165.97 C ATOM 1083 CG PRO A 110 59.865 -40.309 -6.570 1.00171.81 C ATOM 1084 CD PRO A 110 60.303 -41.532 -7.356 1.00176.09 C ATOM 1085 N ASP A 111 56.284 -43.502 -6.151 1.00117.25 N ATOM 1086 CA ASP A 111 55.200 -44.001 -6.957 1.00114.49 C ATOM 1087 C ASP A 111 53.932 -43.329 -6.545 1.00103.19 C ATOM 1088 O ASP A 111 53.429 -43.627 -5.495 1.00 96.96 O ATOM 1089 CB ASP A 111 55.017 -45.532 -6.890 1.00120.60 C ATOM 1090 CG ASP A 111 53.969 -46.046 -7.916 1.00119.42 C ATOM 1091 OD1 ASP A 111 53.417 -47.172 -7.791 1.00120.37 O ATOM 1092 OD2 ASP A 111 53.660 -45.296 -8.859 1.00118.52 O ATOM 1093 H ASP A 111 56.447 -43.865 -5.190 1.00 0.00 H ATOM 1094 N VAL A 112 53.408 -42.461 -7.402 1.00102.92 N ATOM 1095 CA VAL A 112 52.377 -41.463 -7.047 1.00106.38 C ATOM 1096 C VAL A 112 50.958 -42.083 -7.219 1.00 99.09 C ATOM 1097 O VAL A 112 49.888 -41.534 -6.812 1.00 82.59 O ATOM 1098 CB VAL A 112 52.636 -40.188 -7.895 1.00106.90 C ATOM 1099 CG1 VAL A 112 51.522 -39.164 -7.750 1.00111.79 C ATOM 1100 CG2 VAL A 112 54.010 -39.552 -7.617 1.00 99.34 C ATOM 1101 H VAL A 112 53.744 -42.485 -8.386 1.00 0.00 H ATOM 1102 N ASP A 113 50.897 -43.250 -7.822 1.00 99.39 N ATOM 1103 CA ASP A 113 49.643 -43.989 -7.769 1.00115.24 C ATOM 1104 C ASP A 113 49.246 -44.261 -6.310 1.00107.13 C ATOM 1105 O ASP A 113 48.090 -44.074 -5.955 1.00 98.40 O ATOM 1106 CB ASP A 113 49.758 -45.334 -8.546 1.00145.72 C ATOM 1107 CG ASP A 113 48.384 -45.819 -9.142 1.00153.47 C ATOM 1108 OD1 ASP A 113 47.308 -45.294 -8.746 1.00161.78 O ATOM 1109 OD2 ASP A 113 48.406 -46.720 -10.020 1.00147.02 O ATOM 1110 H ASP A 113 51.723 -43.635 -8.324 1.00 0.00 H ATOM 1111 N THR A 114 50.220 -44.701 -5.491 1.00102.30 N ATOM 1112 CA THR A 114 49.983 -45.182 -4.131 1.00 94.88 C ATOM 1113 C THR A 114 49.842 -43.979 -3.188 1.00 85.53 C ATOM 1114 O THR A 114 49.437 -44.142 -2.071 1.00103.51 O ATOM 1115 CB THR A 114 51.090 -46.094 -3.588 1.00105.23 C ATOM 1116 OG1 THR A 114 52.349 -45.447 -3.771 1.00 99.79 O ATOM 1117 CG2 THR A 114 51.075 -47.470 -4.229 1.00118.53 C ATOM 1118 HG1 THR A 114 52.495 -45.279 -4.736 1.00 0.00 H ATOM 1119 H THR A 114 51.197 -44.699 -5.846 1.00 0.00 H ATOM 1120 N TYR A 115 50.251 -42.783 -3.592 1.00 83.24 N ATOM 1121 CA TYR A 115 50.143 -41.570 -2.725 1.00 78.89 C ATOM 1122 C TYR A 115 48.680 -41.126 -2.614 1.00 80.22 C ATOM 1123 O TYR A 115 48.299 -40.259 -1.851 1.00 84.83 O ATOM 1124 CB TYR A 115 50.999 -40.421 -3.274 1.00 81.51 C ATOM 1125 CG TYR A 115 52.511 -40.504 -3.150 1.00 88.25 C ATOM 1126 CD1 TYR A 115 53.196 -41.689 -2.940 1.00 93.07 C ATOM 1127 CD2 TYR A 115 53.294 -39.372 -3.343 1.00 95.27 C ATOM 1128 CE1 TYR A 115 54.587 -41.732 -2.870 1.00 98.15 C ATOM 1129 CE2 TYR A 115 54.684 -39.397 -3.304 1.00 91.04 C ATOM 1130 CZ TYR A 115 55.341 -40.587 -3.066 1.00 93.05 C ATOM 1131 OH TYR A 115 56.705 -40.616 -2.969 1.00 92.56 O ATOM 1132 HH TYR A 115 57.003 -41.544 -2.798 1.00 0.00 H ATOM 1133 H TYR A 115 50.660 -42.686 -4.543 1.00 0.00 H ATOM 1134 N LYS A 116 47.859 -41.718 -3.437 1.00 90.93 N ATOM 1135 CA LYS A 116 46.433 -41.574 -3.479 1.00 92.49 C ATOM 1136 C LYS A 116 45.843 -42.057 -2.144 1.00 81.85 C ATOM 1137 O LYS A 116 44.813 -41.568 -1.755 1.00 80.76 O ATOM 1138 CB LYS A 116 45.883 -42.442 -4.626 1.00 96.50 C ATOM 1139 CG LYS A 116 44.695 -41.890 -5.387 1.00 98.03 C ATOM 1140 CD LYS A 116 45.100 -41.031 -6.568 1.00103.64 C ATOM 1141 CE LYS A 116 43.975 -40.890 -7.569 1.00108.18 C ATOM 1142 NZ LYS A 116 43.945 -42.066 -8.479 1.00113.53 N ATOM 1143 HZ1 LYS A 116 44.849 -42.131 -8.989 1.00 0.00 H ATOM 1144 HZ2 LYS A 116 43.798 -42.931 -7.921 1.00 0.00 H ATOM 1145 HZ3 LYS A 116 43.168 -41.955 -9.161 1.00 0.00 H ATOM 1146 H LYS A 116 48.283 -42.361 -4.135 1.00 0.00 H ATOM 1147 N GLU A 117 46.493 -43.061 -1.534 1.00 71.99 N ATOM 1148 CA GLU A 117 46.027 -43.685 -0.344 1.00 68.57 C ATOM 1149 C GLU A 117 46.145 -42.716 0.836 1.00 66.82 C ATOM 1150 O GLU A 117 45.550 -42.950 1.849 1.00 65.33 O ATOM 1151 CB GLU A 117 46.752 -45.016 -0.108 1.00 73.83 C ATOM 1152 CG GLU A 117 46.295 -46.112 -1.071 1.00 84.00 C ATOM 1153 CD GLU A 117 47.217 -47.304 -1.304 1.00 95.75 C ATOM 1154 OE1 GLU A 117 47.659 -47.516 -2.486 1.00108.27 O ATOM 1155 OE2 GLU A 117 47.471 -48.042 -0.319 1.00106.51 O ATOM 1156 H GLU A 117 47.383 -43.400 -1.953 1.00 0.00 H ATOM 1157 N ILE A 118 46.968 -41.679 0.718 1.00 67.04 N ATOM 1158 CA ILE A 118 47.157 -40.737 1.774 1.00 59.50 C ATOM 1159 C ILE A 118 45.884 -39.936 1.948 1.00 56.27 C ATOM 1160 O ILE A 118 45.438 -39.750 3.035 1.00 51.97 O ATOM 1161 CB ILE A 118 48.348 -39.830 1.479 1.00 60.12 C ATOM 1162 CG1 ILE A 118 49.648 -40.619 1.526 1.00 62.26 C ATOM 1163 CG2 ILE A 118 48.391 -38.686 2.461 1.00 64.60 C ATOM 1164 CD1 ILE A 118 50.815 -39.884 0.919 1.00 63.91 C ATOM 1165 H ILE A 118 47.491 -41.550 -0.172 1.00 0.00 H ATOM 1166 N SER A 119 45.352 -39.478 0.840 1.00 60.95 N ATOM 1167 CA SER A 119 44.125 -38.686 0.857 1.00 68.86 C ATOM 1168 C SER A 119 42.953 -39.498 1.418 1.00 69.64 C ATOM 1169 O SER A 119 42.022 -38.979 1.946 1.00 66.65 O ATOM 1170 CB SER A 119 43.818 -38.184 -0.533 1.00 72.40 C ATOM 1171 OG SER A 119 43.952 -39.220 -1.492 1.00 79.89 O ATOM 1172 HG SER A 119 44.880 -39.564 -1.477 1.00 0.00 H ATOM 1173 H SER A 119 45.813 -39.683 -0.069 1.00 0.00 H ATOM 1174 N TYR A 120 42.994 -40.824 1.309 1.00 72.89 N ATOM 1175 CA TYR A 120 41.965 -41.693 1.905 1.00 77.84 C ATOM 1176 C TYR A 120 41.990 -41.633 3.436 1.00 70.42 C ATOM 1177 O TYR A 120 40.970 -41.482 4.079 1.00 75.03 O ATOM 1178 CB TYR A 120 42.055 -43.156 1.435 1.00 91.68 C ATOM 1179 CG TYR A 120 41.829 -43.468 -0.033 1.00105.24 C ATOM 1180 CD1 TYR A 120 40.661 -43.113 -0.700 1.00110.02 C ATOM 1181 CD2 TYR A 120 42.745 -44.230 -0.747 1.00116.90 C ATOM 1182 CE1 TYR A 120 40.458 -43.425 -2.040 1.00108.03 C ATOM 1183 CE2 TYR A 120 42.548 -44.576 -2.082 1.00113.02 C ATOM 1184 CZ TYR A 120 41.406 -44.156 -2.737 1.00107.15 C ATOM 1185 OH TYR A 120 41.213 -44.447 -4.051 1.00105.49 O ATOM 1186 HH TYR A 120 40.348 -44.069 -4.348 1.00 0.00 H ATOM 1187 H TYR A 120 43.779 -41.261 0.785 1.00 0.00 H ATOM 1188 N PHE A 121 43.148 -41.853 4.024 1.00 62.00 N ATOM 1189 CA PHE A 121 43.262 -41.903 5.470 1.00 61.13 C ATOM 1190 C PHE A 121 43.129 -40.510 6.077 1.00 56.61 C ATOM 1191 O PHE A 121 42.703 -40.398 7.209 1.00 69.65 O ATOM 1192 CB PHE A 121 44.539 -42.600 5.955 1.00 62.90 C ATOM 1193 CG PHE A 121 45.899 -42.039 5.646 1.00 62.65 C ATOM 1194 CD1 PHE A 121 46.357 -40.871 6.205 1.00 66.90 C ATOM 1195 CD2 PHE A 121 46.787 -42.784 4.894 1.00 67.70 C ATOM 1196 CE1 PHE A 121 47.641 -40.418 5.920 1.00 75.06 C ATOM 1197 CE2 PHE A 121 48.081 -42.352 4.632 1.00 68.99 C ATOM 1198 CZ PHE A 121 48.506 -41.156 5.133 1.00 70.46 C ATOM 1199 H PHE A 121 43.997 -41.994 3.441 1.00 0.00 H ATOM 1200 N VAL A 122 43.476 -39.492 5.335 1.00 57.27 N ATOM 1201 CA VAL A 122 43.257 -38.121 5.798 1.00 55.52 C ATOM 1202 C VAL A 122 41.749 -37.836 5.848 1.00 57.33 C ATOM 1203 O VAL A 122 41.222 -37.260 6.878 1.00 54.41 O ATOM 1204 CB VAL A 122 43.993 -37.137 4.879 1.00 52.96 C ATOM 1205 CG1 VAL A 122 43.511 -35.724 5.090 1.00 51.74 C ATOM 1206 CG2 VAL A 122 45.504 -37.257 5.067 1.00 52.80 C ATOM 1207 H VAL A 122 43.912 -39.658 4.406 1.00 0.00 H ATOM 1208 N ALA A 123 41.066 -38.209 4.736 1.00 65.19 N ATOM 1209 CA ALA A 123 39.640 -37.962 4.653 1.00 68.72 C ATOM 1210 C ALA A 123 38.901 -38.763 5.708 1.00 73.43 C ATOM 1211 O ALA A 123 37.945 -38.278 6.262 1.00 77.25 O ATOM 1212 CB ALA A 123 39.141 -38.308 3.288 1.00 69.58 C ATOM 1213 H ALA A 123 41.563 -38.670 3.947 1.00 0.00 H ATOM 1214 N GLU A 124 39.308 -39.973 5.968 1.00 78.07 N ATOM 1215 CA GLU A 124 38.751 -40.813 7.051 1.00 83.92 C ATOM 1216 C GLU A 124 38.872 -40.144 8.419 1.00 74.25 C ATOM 1217 O GLU A 124 37.877 -39.976 9.117 1.00 74.91 O ATOM 1218 CB GLU A 124 39.507 -42.139 7.148 1.00 94.56 C ATOM 1219 CG GLU A 124 39.131 -43.107 6.044 1.00113.10 C ATOM 1220 CD GLU A 124 37.881 -43.919 6.318 1.00134.94 C ATOM 1221 OE1 GLU A 124 38.026 -44.951 6.999 1.00153.67 O ATOM 1222 OE2 GLU A 124 36.768 -43.519 5.862 1.00150.85 O ATOM 1223 H GLU A 124 40.068 -40.371 5.380 1.00 0.00 H ATOM 1224 N PHE A 125 40.041 -39.650 8.705 1.00 67.20 N ATOM 1225 CA PHE A 125 40.258 -39.044 10.044 1.00 61.78 C ATOM 1226 C PHE A 125 39.340 -37.826 10.204 1.00 59.88 C ATOM 1227 O PHE A 125 38.696 -37.607 11.271 1.00 55.93 O ATOM 1228 CB PHE A 125 41.722 -38.667 10.239 1.00 58.76 C ATOM 1229 CG PHE A 125 41.921 -37.934 11.536 1.00 59.36 C ATOM 1230 CD1 PHE A 125 42.111 -38.628 12.693 1.00 60.32 C ATOM 1231 CD2 PHE A 125 41.795 -36.555 11.620 1.00 64.12 C ATOM 1232 CE1 PHE A 125 42.210 -37.960 13.898 1.00 64.69 C ATOM 1233 CE2 PHE A 125 41.928 -35.884 12.819 1.00 63.05 C ATOM 1234 CZ PHE A 125 42.126 -36.592 13.962 1.00 63.49 C ATOM 1235 H PHE A 125 40.812 -39.679 8.007 1.00 0.00 H ATOM 1236 N ILE A 126 39.212 -37.046 9.126 1.00 64.16 N ATOM 1237 CA ILE A 126 38.462 -35.781 9.216 1.00 65.82 C ATOM 1238 C ILE A 126 36.996 -36.170 9.350 1.00 65.65 C ATOM 1239 O ILE A 126 36.331 -35.625 10.188 1.00 69.07 O ATOM 1240 CB ILE A 126 38.695 -34.871 7.997 1.00 67.96 C ATOM 1241 CG1 ILE A 126 40.077 -34.233 8.057 1.00 70.41 C ATOM 1242 CG2 ILE A 126 37.621 -33.810 7.868 1.00 67.97 C ATOM 1243 CD1 ILE A 126 40.602 -33.906 6.709 1.00 72.29 C ATOM 1244 H ILE A 126 39.642 -37.332 8.223 1.00 0.00 H ATOM 1245 N MET A 127 36.532 -37.124 8.520 1.00 67.94 N ATOM 1246 CA MET A 127 35.126 -37.406 8.395 1.00 75.15 C ATOM 1247 C MET A 127 34.635 -37.999 9.723 1.00 79.10 C ATOM 1248 O MET A 127 33.496 -37.713 10.215 1.00 80.93 O ATOM 1249 CB MET A 127 34.758 -38.352 7.241 1.00 77.52 C ATOM 1250 CG MET A 127 33.233 -38.685 7.130 1.00 81.13 C ATOM 1251 SD MET A 127 32.124 -37.313 6.575 1.00 92.06 S ATOM 1252 CE MET A 127 30.569 -37.777 7.327 1.00 98.23 C ATOM 1253 H MET A 127 37.209 -37.673 7.953 1.00 0.00 H ATOM 1254 N ASN A 128 35.523 -38.768 10.352 1.00 79.49 N ATOM 1255 CA ASN A 128 35.190 -39.592 11.542 1.00 79.58 C ATOM 1256 C ASN A 128 35.285 -38.728 12.800 1.00 79.68 C ATOM 1257 O ASN A 128 34.351 -38.670 13.601 1.00 93.23 O ATOM 1258 CB ASN A 128 36.107 -40.824 11.643 1.00 77.62 C ATOM 1259 CG ASN A 128 35.886 -41.850 10.530 1.00 74.87 C ATOM 1260 OD1 ASN A 128 34.810 -41.950 9.936 1.00 64.16 O ATOM 1261 ND2 ASN A 128 36.911 -42.623 10.202 1.00 74.67 N ATOM 1262 HD22 ASN A 128 37.815 -42.531 10.709 1.00 0.00 H ATOM 1263 HD21 ASN A 128 36.812 -43.321 9.438 1.00 0.00 H ATOM 1264 H ASN A 128 36.498 -38.792 9.992 1.00 0.00 H ATOM 1265 N ASN A 129 36.413 -38.057 12.988 1.00 76.17 N ATOM 1266 CA ASN A 129 36.654 -37.306 14.184 1.00 77.14 C ATOM 1267 C ASN A 129 36.040 -35.894 14.136 1.00 75.81 C ATOM 1268 O ASN A 129 35.435 -35.443 15.148 1.00 78.70 O ATOM 1269 CB ASN A 129 38.145 -37.291 14.485 1.00 77.80 C ATOM 1270 CG ASN A 129 38.641 -38.695 14.748 1.00 78.53 C ATOM 1271 OD1 ASN A 129 38.712 -39.518 13.840 1.00 71.74 O ATOM 1272 ND2 ASN A 129 38.972 -38.975 15.999 1.00 82.86 N ATOM 1273 HD22 ASN A 129 38.895 -38.243 16.734 1.00 0.00 H ATOM 1274 HD21 ASN A 129 39.309 -39.927 16.247 1.00 0.00 H ATOM 1275 H ASN A 129 37.143 -38.076 12.247 1.00 0.00 H ATOM 1276 N THR A 130 36.154 -35.214 13.024 1.00 75.18 N ATOM 1277 CA THR A 130 35.732 -33.824 12.951 1.00 81.85 C ATOM 1278 C THR A 130 34.467 -33.626 12.074 1.00 81.02 C ATOM 1279 O THR A 130 33.937 -32.487 12.015 1.00 75.18 O ATOM 1280 CB THR A 130 36.924 -32.998 12.449 1.00 88.33 C ATOM 1281 OG1 THR A 130 37.211 -33.377 11.101 1.00 93.41 O ATOM 1282 CG2 THR A 130 38.178 -33.216 13.271 1.00 90.14 C ATOM 1283 HG1 THR A 130 37.433 -34.341 11.071 1.00 0.00 H ATOM 1284 H THR A 130 36.552 -35.674 12.180 1.00 0.00 H ATOM 1285 N GLY A 131 33.892 -34.660 11.492 1.00 88.44 N ATOM 1286 CA GLY A 131 32.824 -34.450 10.531 1.00 93.27 C ATOM 1287 C GLY A 131 31.561 -34.017 11.219 1.00107.43 C ATOM 1288 O GLY A 131 30.769 -33.208 10.684 1.00113.55 O ATOM 1289 H GLY A 131 34.203 -35.626 11.721 1.00 0.00 H ATOM 1290 N GLU A 132 31.403 -34.429 12.478 1.00117.28 N ATOM 1291 CA GLU A 132 30.316 -34.108 13.342 1.00119.74 C ATOM 1292 C GLU A 132 30.305 -32.592 13.575 1.00115.02 C ATOM 1293 O GLU A 132 29.266 -31.910 13.451 1.00120.32 O ATOM 1294 CB GLU A 132 30.554 -34.773 14.696 1.00133.08 C ATOM 1295 CG GLU A 132 29.425 -34.546 15.680 1.00145.90 C ATOM 1296 CD GLU A 132 28.462 -35.708 15.633 1.00154.17 C ATOM 1297 OE1 GLU A 132 27.637 -35.832 16.559 1.00162.29 O ATOM 1298 OE2 GLU A 132 28.578 -36.510 14.679 1.00160.08 O ATOM 1299 H GLU A 132 32.146 -35.045 12.867 1.00 0.00 H ATOM 1300 N TRP A 133 31.488 -32.099 13.966 1.00105.29 N ATOM 1301 CA TRP A 133 31.787 -30.726 14.222 1.00104.82 C ATOM 1302 C TRP A 133 31.503 -29.879 12.978 1.00102.57 C ATOM 1303 O TRP A 133 30.928 -28.769 13.166 1.00 97.06 O ATOM 1304 CB TRP A 133 33.255 -30.588 14.659 1.00106.49 C ATOM 1305 CG TRP A 133 33.604 -29.261 15.257 1.00110.75 C ATOM 1306 CD1 TRP A 133 33.500 -28.914 16.570 1.00115.57 C ATOM 1307 CD2 TRP A 133 34.107 -28.099 14.577 1.00119.69 C ATOM 1308 NE1 TRP A 133 33.891 -27.618 16.756 1.00119.29 N ATOM 1309 CE2 TRP A 133 34.268 -27.090 15.554 1.00121.31 C ATOM 1310 CE3 TRP A 133 34.449 -27.809 13.247 1.00124.63 C ATOM 1311 CZ2 TRP A 133 34.735 -25.814 15.239 1.00130.49 C ATOM 1312 CZ3 TRP A 133 34.920 -26.550 12.932 1.00128.55 C ATOM 1313 CH2 TRP A 133 35.057 -25.565 13.919 1.00134.80 C ATOM 1314 HE1 TRP A 133 33.900 -27.115 17.666 1.00 0.00 H ATOM 1315 H TRP A 133 32.262 -32.781 14.095 1.00 0.00 H ATOM 1316 N ILE A 134 31.916 -30.312 11.794 1.00107.93 N ATOM 1317 CA ILE A 134 31.786 -29.516 10.561 1.00106.73 C ATOM 1318 C ILE A 134 30.314 -29.239 10.240 1.00111.57 C ATOM 1319 O ILE A 134 29.992 -28.103 9.924 1.00107.93 O ATOM 1320 CB ILE A 134 32.492 -30.243 9.401 1.00106.95 C ATOM 1321 CG1 ILE A 134 34.004 -30.000 9.472 1.00105.00 C ATOM 1322 CG2 ILE A 134 31.910 -29.862 8.047 1.00111.90 C ATOM 1323 CD1 ILE A 134 34.842 -31.104 8.880 1.00102.86 C ATOM 1324 H ILE A 134 32.351 -31.255 11.733 1.00 0.00 H ATOM 1325 N ARG A 135 29.449 -30.268 10.293 1.00122.51 N ATOM 1326 CA ARG A 135 28.033 -30.081 9.921 1.00133.38 C ATOM 1327 C ARG A 135 27.384 -29.075 10.883 1.00131.80 C ATOM 1328 O ARG A 135 26.544 -28.254 10.481 1.00131.64 O ATOM 1329 CB ARG A 135 27.268 -31.411 9.839 1.00143.42 C ATOM 1330 CG ARG A 135 26.263 -31.490 8.687 1.00159.41 C ATOM 1331 CD ARG A 135 26.526 -30.635 7.429 1.00170.31 C ATOM 1332 NE ARG A 135 27.836 -30.808 6.775 1.00180.46 N ATOM 1333 CZ ARG A 135 28.303 -30.074 5.749 1.00182.01 C ATOM 1334 NH1 ARG A 135 27.632 -29.015 5.325 1.00198.83 N ATOM 1335 NH2 ARG A 135 29.434 -30.404 5.136 1.00154.90 N ATOM 1336 HE ARG A 135 28.452 -31.563 7.138 1.00 0.00 H ATOM 1337 HH12 ARG A 135 27.998 -28.451 4.531 1.00 0.00 H ATOM 1338 HH11 ARG A 135 26.739 -28.747 5.785 1.00 0.00 H ATOM 1339 HH22 ARG A 135 29.784 -29.828 4.344 1.00 0.00 H ATOM 1340 HH21 ARG A 135 29.970 -31.239 5.448 1.00 0.00 H ATOM 1341 H ARG A 135 29.781 -31.205 10.599 1.00 0.00 H ATOM 1342 N GLN A 136 27.835 -29.110 12.137 1.00129.16 N ATOM 1343 CA GLN A 136 27.284 -28.340 13.223 1.00135.22 C ATOM 1344 C GLN A 136 27.813 -26.919 13.242 1.00127.67 C ATOM 1345 O GLN A 136 27.166 -26.043 13.825 1.00125.61 O ATOM 1346 CB GLN A 136 27.617 -28.932 14.593 1.00145.25 C ATOM 1347 CG GLN A 136 26.752 -30.120 14.975 1.00155.20 C ATOM 1348 CD GLN A 136 27.348 -30.939 16.095 1.00162.52 C ATOM 1349 OE1 GLN A 136 28.389 -30.603 16.668 1.00171.99 O ATOM 1350 NE2 GLN A 136 26.683 -32.039 16.411 1.00170.60 N ATOM 1351 HE22 GLN A 136 25.810 -32.283 15.901 1.00 0.00 H ATOM 1352 HE21 GLN A 136 27.034 -32.659 17.169 1.00 0.00 H ATOM 1353 H GLN A 136 28.639 -29.736 12.346 1.00 0.00 H ATOM 1354 N ASN A 137 28.946 -26.671 12.572 1.00124.94 N ATOM 1355 CA ASN A 137 29.614 -25.371 12.477 1.00116.37 C ATOM 1356 C ASN A 137 29.651 -24.794 11.035 1.00118.79 C ATOM 1357 O ASN A 137 30.663 -24.262 10.547 1.00119.78 O ATOM 1358 CB ASN A 137 31.040 -25.409 13.057 1.00107.92 C ATOM 1359 CG ASN A 137 31.103 -25.573 14.566 1.00105.66 C ATOM 1360 OD1 ASN A 137 31.316 -24.610 15.300 1.00105.43 O ATOM 1361 ND2 ASN A 137 30.915 -26.789 15.046 1.00100.03 N ATOM 1362 HD22 ASN A 137 30.737 -27.582 14.397 1.00 0.00 H ATOM 1363 HD21 ASN A 137 30.945 -26.953 16.073 1.00 0.00 H ATOM 1364 H ASN A 137 29.390 -27.471 12.076 1.00 0.00 H ATOM 1365 N GLY A 138 28.475 -24.761 10.419 1.00124.18 N ATOM 1366 CA GLY A 138 28.296 -24.044 9.160 1.00122.96 C ATOM 1367 C GLY A 138 28.789 -24.770 7.925 1.00120.00 C ATOM 1368 O GLY A 138 28.653 -24.167 6.819 1.00115.27 O ATOM 1369 H GLY A 138 27.664 -25.256 10.842 1.00 0.00 H ATOM 1370 N GLY A 139 29.385 -25.974 8.058 1.00118.33 N ATOM 1371 CA GLY A 139 29.797 -26.614 6.825 1.00114.33 C ATOM 1372 C GLY A 139 31.128 -26.063 6.337 1.00111.74 C ATOM 1373 O GLY A 139 31.861 -25.447 7.097 1.00107.59 O ATOM 1374 H GLY A 139 29.539 -26.415 8.987 1.00 0.00 H ATOM 1375 N TRP A 140 31.469 -26.382 5.097 1.00109.28 N ATOM 1376 CA TRP A 140 32.646 -25.805 4.445 1.00110.22 C ATOM 1377 C TRP A 140 32.311 -24.510 3.730 1.00118.15 C ATOM 1378 O TRP A 140 33.024 -23.525 3.806 1.00131.52 O ATOM 1379 CB TRP A 140 33.221 -26.781 3.429 1.00104.94 C ATOM 1380 CG TRP A 140 33.790 -28.012 4.044 1.00 97.30 C ATOM 1381 CD1 TRP A 140 33.149 -29.196 4.219 1.00103.33 C ATOM 1382 CD2 TRP A 140 35.124 -28.190 4.543 1.00 90.00 C ATOM 1383 NE1 TRP A 140 33.992 -30.097 4.802 1.00102.44 N ATOM 1384 CE2 TRP A 140 35.210 -29.509 5.012 1.00 92.33 C ATOM 1385 CE3 TRP A 140 36.248 -27.371 4.648 1.00 92.95 C ATOM 1386 CZ2 TRP A 140 36.379 -30.030 5.558 1.00 91.37 C ATOM 1387 CZ3 TRP A 140 37.401 -27.886 5.197 1.00 93.24 C ATOM 1388 CH2 TRP A 140 37.467 -29.201 5.646 1.00 89.26 C ATOM 1389 HE1 TRP A 140 33.747 -31.077 5.048 1.00 0.00 H ATOM 1390 H TRP A 140 30.883 -27.062 4.572 1.00 0.00 H ATOM 1391 N GLU A 141 31.135 -24.501 3.115 1.00129.25 N ATOM 1392 CA GLU A 141 30.710 -23.463 2.195 1.00136.08 C ATOM 1393 C GLU A 141 30.383 -22.160 2.940 1.00135.91 C ATOM 1394 O GLU A 141 30.704 -21.051 2.461 1.00136.71 O ATOM 1395 CB GLU A 141 29.446 -23.900 1.451 1.00148.05 C ATOM 1396 CG GLU A 141 29.495 -25.309 0.880 1.00154.81 C ATOM 1397 CD GLU A 141 30.137 -25.383 -0.492 1.00154.85 C ATOM 1398 OE1 GLU A 141 31.323 -25.009 -0.601 1.00145.15 O ATOM 1399 OE2 GLU A 141 29.448 -25.805 -1.444 1.00165.60 O ATOM 1400 H GLU A 141 30.479 -25.285 3.304 1.00 0.00 H ATOM 1401 N ASN A 142 29.685 -22.252 4.105 1.00131.30 N ATOM 1402 CA ASN A 142 29.382 -21.085 4.930 1.00128.74 C ATOM 1403 C ASN A 142 30.152 -21.099 6.264 1.00128.51 C ATOM 1404 O ASN A 142 29.954 -20.201 7.072 1.00141.41 O ATOM 1405 CB ASN A 142 27.874 -20.950 5.164 1.00130.32 C ATOM 1406 CG ASN A 142 27.198 -20.211 4.028 1.00134.71 C ATOM 1407 OD1 ASN A 142 27.016 -18.993 4.080 1.00135.97 O ATOM 1408 ND2 ASN A 142 26.908 -20.931 2.957 1.00134.53 N ATOM 1409 HD22 ASN A 142 27.079 -21.957 2.958 1.00 0.00 H ATOM 1410 HD21 ASN A 142 26.509 -20.471 2.114 1.00 0.00 H ATOM 1411 H ASN A 142 29.355 -23.187 4.419 1.00 0.00 H ATOM 1412 N GLY A 143 30.857 -22.190 6.534 1.00122.41 N ATOM 1413 CA GLY A 143 31.577 -22.260 7.813 1.00125.10 C ATOM 1414 C GLY A 143 33.027 -21.865 7.621 1.00123.91 C ATOM 1415 O GLY A 143 33.491 -20.866 8.130 1.00131.96 O ATOM 1416 H GLY A 143 30.899 -22.978 5.856 1.00 0.00 H ATOM 1417 N PHE A 144 33.690 -22.630 6.787 1.00113.91 N ATOM 1418 CA PHE A 144 35.132 -22.527 6.584 1.00107.98 C ATOM 1419 C PHE A 144 35.472 -21.402 5.600 1.00112.20 C ATOM 1420 O PHE A 144 36.367 -20.584 5.866 1.00103.89 O ATOM 1421 CB PHE A 144 35.673 -23.832 6.019 1.00 99.50 C ATOM 1422 CG PHE A 144 37.126 -23.767 5.648 1.00 90.45 C ATOM 1423 CD1 PHE A 144 38.104 -23.974 6.604 1.00 84.78 C ATOM 1424 CD2 PHE A 144 37.510 -23.511 4.348 1.00 88.73 C ATOM 1425 CE1 PHE A 144 39.443 -23.953 6.264 1.00 82.13 C ATOM 1426 CE2 PHE A 144 38.854 -23.477 4.007 1.00 88.79 C ATOM 1427 CZ PHE A 144 39.816 -23.704 4.963 1.00 86.67 C ATOM 1428 H PHE A 144 33.163 -23.344 6.244 1.00 0.00 H ATOM 1429 N VAL A 145 34.744 -21.308 4.495 1.00120.87 N ATOM 1430 CA VAL A 145 34.952 -20.233 3.520 1.00119.61 C ATOM 1431 C VAL A 145 34.741 -18.857 4.189 1.00120.03 C ATOM 1432 O VAL A 145 35.624 -17.999 4.132 1.00118.68 O ATOM 1433 CB VAL A 145 34.068 -20.380 2.270 1.00123.05 C ATOM 1434 CG1 VAL A 145 33.923 -19.063 1.494 1.00128.56 C ATOM 1435 CG2 VAL A 145 34.611 -21.497 1.385 1.00121.95 C ATOM 1436 H VAL A 145 34.005 -22.017 4.315 1.00 0.00 H ATOM 1437 N LYS A 146 33.626 -18.665 4.838 1.00120.85 N ATOM 1438 CA LYS A 146 33.314 -17.327 5.375 1.00127.15 C ATOM 1439 C LYS A 146 34.403 -16.915 6.379 1.00122.96 C ATOM 1440 O LYS A 146 34.452 -15.748 6.759 1.00135.67 O ATOM 1441 CB LYS A 146 31.933 -17.271 6.035 1.00133.92 C ATOM 1442 CG LYS A 146 30.748 -17.546 5.115 1.00141.15 C ATOM 1443 CD LYS A 146 30.564 -16.590 3.932 1.00148.05 C ATOM 1444 CE LYS A 146 29.862 -17.238 2.749 1.00150.55 C ATOM 1445 NZ LYS A 146 30.023 -16.501 1.471 1.00151.44 N ATOM 1446 HZ1 LYS A 146 29.631 -15.543 1.573 1.00 0.00 H ATOM 1447 HZ2 LYS A 146 31.033 -16.440 1.232 1.00 0.00 H ATOM 1448 HZ3 LYS A 146 29.517 -17.005 0.715 1.00 0.00 H ATOM 1449 H LYS A 146 32.960 -19.452 4.976 1.00 0.00 H ATOM 1450 N LYS A 147 35.206 -17.834 6.862 1.00107.63 N ATOM 1451 CA LYS A 147 36.168 -17.588 7.908 1.00103.31 C ATOM 1452 C LYS A 147 37.519 -17.273 7.282 1.00 96.58 C ATOM 1453 O LYS A 147 38.265 -16.466 7.847 1.00 97.30 O ATOM 1454 CB LYS A 147 36.373 -18.821 8.795 1.00102.09 C ATOM 1455 CG LYS A 147 37.193 -18.522 10.051 1.00100.78 C ATOM 1456 CD LYS A 147 37.367 -19.637 11.052 1.00 95.95 C ATOM 1457 CE LYS A 147 38.569 -19.421 11.961 1.00 97.53 C ATOM 1458 NZ LYS A 147 38.222 -19.131 13.373 1.00101.54 N ATOM 1459 HZ1 LYS A 147 37.647 -18.265 13.417 1.00 0.00 H ATOM 1460 HZ2 LYS A 147 37.681 -19.928 13.767 1.00 0.00 H ATOM 1461 HZ3 LYS A 147 39.095 -18.997 13.923 1.00 0.00 H ATOM 1462 H LYS A 147 35.145 -18.795 6.468 1.00 0.00 H ATOM 1463 N PHE A 148 37.875 -17.991 6.211 1.00 90.52 N ATOM 1464 CA PHE A 148 39.292 -17.780 5.709 1.00 91.65 C ATOM 1465 C PHE A 148 39.371 -17.159 4.309 1.00 90.27 C ATOM 1466 O PHE A 148 40.479 -16.854 3.863 1.00 91.50 O ATOM 1467 CB PHE A 148 40.026 -19.102 5.626 1.00 91.15 C ATOM 1468 CG PHE A 148 40.415 -19.617 6.971 1.00 92.30 C ATOM 1469 CD1 PHE A 148 41.610 -19.222 7.545 1.00 92.78 C ATOM 1470 CD2 PHE A 148 39.568 -20.455 7.660 1.00 90.37 C ATOM 1471 CE1 PHE A 148 41.991 -19.715 8.779 1.00 89.44 C ATOM 1472 CE2 PHE A 148 39.958 -20.951 8.887 1.00 90.79 C ATOM 1473 CZ PHE A 148 41.163 -20.576 9.444 1.00 89.93 C ATOM 1474 H PHE A 148 37.220 -18.654 5.750 1.00 0.00 H ATOM 1475 N GLU A 149 38.245 -16.956 3.630 1.00 94.71 N ATOM 1476 CA GLU A 149 38.244 -16.406 2.275 1.00 97.74 C ATOM 1477 C GLU A 149 38.906 -15.018 2.284 1.00102.26 C ATOM 1478 O GLU A 149 39.142 -14.343 3.309 1.00 94.12 O ATOM 1479 CB GLU A 149 36.832 -16.374 1.674 1.00101.14 C ATOM 1480 CG GLU A 149 35.962 -15.221 2.157 1.00107.68 C ATOM 1481 CD GLU A 149 34.516 -15.304 1.694 1.00117.06 C ATOM 1482 OE1 GLU A 149 34.279 -15.250 0.463 1.00118.40 O ATOM 1483 OE2 GLU A 149 33.627 -15.425 2.565 1.00127.42 O ATOM 1484 OXT GLU A 149 39.269 -14.564 1.201 1.00116.73 O ATOM 1485 H GLU A 149 37.337 -17.196 4.077 1.00 0.00 H TER 1486 GLU A 149 HETATM 1487 O HOH 1 44.544 -28.139 -6.813 1.00 55.01 O HETATM 1488 O HOH 2 39.150 -37.039 18.035 1.00 74.50 O HETATM 1489 O HOH 3 61.839 -39.240 4.557 1.00 56.44 O HETATM 1490 O HOH 4 50.000 -43.235 -11.014 1.00 82.26 O HETATM 1491 O HOH 5 35.336 -27.700 20.499 1.00 78.33 O HETATM 1492 O HOH 6 64.999 -39.404 -5.634 1.00 98.54 O HETATM 1493 O HOH 7 52.045 -43.980 23.320 1.00 64.85 O HETATM 1494 N LV A 8 56.247 -30.500 20.244 1.00 -0.26 N HETATM 1495 CA LV A 8 57.011 -31.038 19.069 1.00 0.15 C HETATM 1496 CB LV A 8 57.846 -32.269 19.419 1.00 0.07 C HETATM 1497 NG LV A 8 59.085 -32.285 18.621 1.00 -0.28 N HETATM 1498 CD LV A 8 59.069 -33.289 17.788 1.00 0.17 C HETATM 1499 OD2 LV A 8 58.136 -34.049 18.040 1.00 -0.40 O HETATM 1500 CE LV A 8 59.952 -33.343 16.520 1.00 0.03 C HETATM 1501 H6 LV A 8 59.763 -34.283 15.981 1.00 0.05 H HETATM 1502 H7 LV A 8 61.012 -33.293 16.809 1.00 0.05 H HETATM 1503 H8 LV A 8 59.709 -32.491 15.868 1.00 0.05 H HETATM 1504 H5 LV A 8 59.830 -31.623 18.706 1.00 0.19 H HETATM 1505 H3 LV A 8 57.263 -33.177 19.204 1.00 0.06 H HETATM 1506 H4 LV A 8 58.102 -32.242 20.488 1.00 0.06 H HETATM 1507 C LV A 8 55.962 -31.108 17.947 1.00 0.21 C HETATM 1508 O LV A 8 55.470 -30.033 17.506 1.00 -0.39 O HETATM 1509 N LV A 8 55.605 -32.281 17.415 1.00 -0.26 N HETATM 1510 CA LV A 8 54.700 -32.204 16.227 1.00 0.13 C HETATM 1511 C LV A 8 53.281 -31.907 16.743 1.00 0.20 C HETATM 1512 O LV A 8 52.640 -30.924 16.306 1.00 -0.39 O HETATM 1513 N LV A 8 52.805 -32.734 17.679 1.00 -0.27 N HETATM 1514 CA LV A 8 51.476 -32.516 18.281 1.00 0.13 C HETATM 1515 C LV A 8 51.311 -31.071 18.807 1.00 0.23 C HETATM 1516 O LV A 8 50.222 -30.442 18.643 1.00 -0.34 O HETATM 1517 N LV A 8 52.344 -30.551 19.489 1.00 -0.26 N HETATM 1518 CA LV A 8 52.377 -29.180 20.091 1.00 0.13 C HETATM 1519 C LV A 8 52.196 -28.116 19.020 1.00 0.20 C HETATM 1520 O LV A 8 51.324 -27.189 19.140 1.00 -0.39 O HETATM 1521 N LV A 8 53.022 -28.224 17.969 1.00 -0.26 N HETATM 1522 CA LV A 8 53.038 -27.256 16.910 1.00 0.13 C HETATM 1523 C LV A 8 51.663 -27.218 16.234 1.00 0.20 C HETATM 1524 O LV A 8 51.063 -26.164 16.146 1.00 -0.39 O HETATM 1525 N LV A 8 51.125 -28.362 15.851 1.00 -0.26 N HETATM 1526 CA LV A 8 49.857 -28.334 15.146 1.00 0.13 C HETATM 1527 C LV A 8 48.790 -27.737 16.053 1.00 0.20 C HETATM 1528 O LV A 8 47.868 -27.130 15.570 1.00 -0.39 O HETATM 1529 N LV A 8 48.874 -28.000 17.348 1.00 -0.26 N HETATM 1530 CA LV A 8 47.840 -27.552 18.277 1.00 0.13 C HETATM 1531 C LV A 8 47.911 -26.026 18.407 1.00 0.20 C HETATM 1532 O LV A 8 46.897 -25.343 18.244 1.00 -0.39 O HETATM 1533 N LV A 8 49.104 -25.522 18.762 1.00 -0.26 N HETATM 1534 CA LV A 8 49.428 -24.098 18.983 1.00 0.13 C HETATM 1535 C LV A 8 49.050 -23.276 17.732 1.00 0.20 C HETATM 1536 O LV A 8 48.251 -22.314 17.731 1.00 -0.39 O HETATM 1537 N LV A 8 49.630 -23.709 16.631 1.00 -0.26 N HETATM 1538 CA LV A 8 49.541 -22.979 15.369 1.00 0.13 C HETATM 1539 C LV A 8 48.119 -23.072 14.843 1.00 0.20 C HETATM 1540 O LV A 8 47.563 -22.101 14.365 1.00 -0.39 O HETATM 1541 N LV A 8 47.561 -24.263 14.950 1.00 -0.27 N HETATM 1542 CA LV A 8 46.234 -24.486 14.478 1.00 0.12 C HETATM 1543 C LV A 8 45.272 -23.630 15.262 1.00 0.20 C HETATM 1544 O LV A 8 44.290 -23.174 14.737 1.00 -0.39 O HETATM 1545 N LV A 8 45.549 -23.454 16.547 1.00 -0.26 N HETATM 1546 CA LV A 8 44.646 -22.701 17.436 1.00 0.14 C HETATM 1547 C LV A 8 44.780 -21.189 17.225 1.00 0.21 C HETATM 1548 O LV A 8 43.767 -20.458 17.169 1.00 -0.39 O HETATM 1549 N LV A 8 46.042 -20.778 17.047 1.00 -0.26 N HETATM 1550 CA LV A 8 46.464 -19.398 16.701 1.00 0.13 C HETATM 1551 C LV A 8 45.806 -18.943 15.393 1.00 0.20 C HETATM 1552 O LV A 8 45.277 -17.831 15.348 1.00 -0.39 O HETATM 1553 N LV A 8 45.888 -19.775 14.343 1.00 -0.26 N HETATM 1554 CA LV A 8 45.340 -19.369 13.088 1.00 0.14 C HETATM 1555 C LV A 8 43.811 -19.300 13.195 1.00 0.21 C HETATM 1556 O LV A 8 43.180 -18.621 12.368 1.00 -0.39 O HETATM 1557 N LV A 8 43.214 -20.018 14.164 1.00 -0.26 N HETATM 1558 CA LV A 8 41.753 -19.998 14.342 1.00 0.15 C HETATM 1559 C LV A 8 41.396 -18.644 14.943 1.00 0.21 C HETATM 1560 O LV A 8 40.370 -18.065 14.600 1.00 -0.39 O HETATM 1561 N LV A 8 42.263 -18.185 15.847 1.00 -0.26 N HETATM 1562 CA LV A 8 42.095 -16.912 16.522 1.00 0.13 C HETATM 1563 C LV A 8 42.200 -15.785 15.504 1.00 0.20 C HETATM 1564 O LV A 8 41.279 -14.997 15.352 1.00 -0.39 O HETATM 1565 N LV A 8 43.352 -15.743 14.852 1.00 -0.26 N HETATM 1566 CA LV A 8 43.660 -14.749 13.828 1.00 0.13 C HETATM 1567 C LV A 8 42.520 -14.631 12.808 1.00 0.20 C HETATM 1568 O LV A 8 42.010 -13.548 12.604 1.00 -0.39 O HETATM 1569 N LV A 8 42.112 -15.716 12.157 1.00 -0.27 N HETATM 1570 CA LV A 8 41.037 -15.560 11.145 1.00 0.10 C HETATM 1571 C LV A 8 39.683 -15.595 11.854 1.00 0.06 C HETATM 1572 O LV A 8 39.602 -15.609 13.078 1.00 -0.57 O HETATM 1573 OXT LV A 8 38.676 -15.573 11.161 1.00 -0.57 O HETATM 1574 CB LV A 8 41.172 -16.565 9.996 1.00 0.01 C HETATM 1575 CG LV A 8 42.407 -16.324 9.168 1.00 -0.05 C HETATM 1576 CD1 LV A 8 42.330 -15.841 7.881 1.00 -0.07 C HETATM 1577 CE1 LV A 8 43.474 -15.580 7.141 1.00 -0.04 C HETATM 1578 CZ LV A 8 44.729 -15.787 7.692 1.00 0.08 C HETATM 1579 CE2 LV A 8 44.816 -16.237 8.993 1.00 -0.04 C HETATM 1580 CD2 LV A 8 43.666 -16.487 9.718 1.00 -0.07 C HETATM 1581 H128 LV A 8 43.753 -16.820 10.746 1.00 0.05 H HETATM 1582 H130 LV A 8 45.787 -16.395 9.447 1.00 0.05 H HETATM 1583 OH LV A 8 45.880 -15.547 6.984 1.00 -0.34 O HETATM 1584 H131 LV A 8 45.657 -15.245 6.112 1.00 0.25 H HETATM 1585 H129 LV A 8 43.386 -15.212 6.125 1.00 0.05 H HETATM 1586 H127 LV A 8 41.357 -15.661 7.438 1.00 0.05 H HETATM 1587 H125 LV A 8 40.288 -16.480 9.346 1.00 0.04 H HETATM 1588 H126 LV A 8 41.221 -17.580 10.418 1.00 0.04 H HETATM 1589 H124 LV A 8 41.144 -14.560 10.699 1.00 0.07 H HETATM 1590 H123 LV A 8 42.517 -16.611 12.344 1.00 0.19 H HETATM 1591 CB LV A 8 44.952 -15.110 13.150 1.00 -0.02 C HETATM 1592 H120 LV A 8 45.183 -14.361 12.379 1.00 0.03 H HETATM 1593 H121 LV A 8 44.856 -16.101 12.681 1.00 0.03 H HETATM 1594 H122 LV A 8 45.762 -15.133 13.893 1.00 0.03 H HETATM 1595 H119 LV A 8 43.784 -13.772 14.318 1.00 0.08 H HETATM 1596 H118 LV A 8 44.047 -16.427 15.072 1.00 0.19 H HETATM 1597 CB LV A 8 43.144 -16.736 17.593 1.00 -0.02 C HETATM 1598 H115 LV A 8 42.999 -15.766 18.092 1.00 0.03 H HETATM 1599 H116 LV A 8 44.144 -16.767 17.136 1.00 0.03 H HETATM 1600 H117 LV A 8 43.053 -17.546 18.332 1.00 0.03 H HETATM 1601 H114 LV A 8 41.100 -16.884 16.990 1.00 0.08 H HETATM 1602 H113 LV A 8 43.063 -18.742 16.069 1.00 0.19 H HETATM 1603 CB LV A 8 41.264 -21.159 15.217 1.00 0.08 C HETATM 1604 CG LV A 8 39.758 -21.272 15.371 1.00 0.18 C HETATM 1605 OD1 LV A 8 39.083 -21.992 14.636 1.00 -0.40 O HETATM 1606 ND2 LV A 8 39.222 -20.639 16.395 1.00 -0.30 N HETATM 1607 H111 LV A 8 38.234 -20.678 16.546 1.00 0.18 H HETATM 1608 H112 LV A 8 39.803 -20.119 17.021 1.00 0.18 H HETATM 1609 H109 LV A 8 41.699 -21.034 16.220 1.00 0.06 H HETATM 1610 H110 LV A 8 41.630 -22.096 14.773 1.00 0.06 H HETATM 1611 H108 LV A 8 41.272 -20.090 13.357 1.00 0.08 H HETATM 1612 H107 LV A 8 43.774 -20.576 14.776 1.00 0.19 H HETATM 1613 CB LV A 8 45.786 -20.292 11.942 1.00 0.02 C HETATM 1614 CG LV A 8 47.024 -19.866 11.181 1.00 -0.04 C HETATM 1615 CD1 LV A 8 46.926 -19.322 9.915 1.00 -0.06 C HETATM 1616 CE1 LV A 8 48.056 -18.888 9.242 1.00 -0.07 C HETATM 1617 CZ LV A 8 49.305 -19.031 9.801 1.00 -0.07 C HETATM 1618 CE2 LV A 8 49.429 -19.610 11.029 1.00 -0.07 C HETATM 1619 CD2 LV A 8 48.293 -20.006 11.728 1.00 -0.06 C HETATM 1620 H103 LV A 8 48.401 -20.432 12.719 1.00 0.06 H HETATM 1621 H105 LV A 8 50.412 -19.762 11.460 1.00 0.06 H HETATM 1622 H106 LV A 8 50.184 -18.686 9.269 1.00 0.06 H HETATM 1623 H104 LV A 8 47.955 -18.431 8.264 1.00 0.06 H HETATM 1624 H102 LV A 8 45.954 -19.234 9.443 1.00 0.06 H HETATM 1625 H100 LV A 8 44.956 -20.358 11.223 1.00 0.05 H HETATM 1626 H101 LV A 8 45.981 -21.287 12.369 1.00 0.05 H HETATM 1627 H99 LV A 8 45.712 -18.358 12.865 1.00 0.08 H HETATM 1628 H98 LV A 8 46.327 -20.668 14.438 1.00 0.19 H HETATM 1629 CB LV A 8 47.979 -19.316 16.590 1.00 -0.02 C HETATM 1630 H95 LV A 8 48.273 -18.288 16.333 1.00 0.03 H HETATM 1631 H96 LV A 8 48.327 -20.003 15.805 1.00 0.03 H HETATM 1632 H97 LV A 8 48.433 -19.598 17.552 1.00 0.03 H HETATM 1633 H94 LV A 8 46.138 -18.724 17.506 1.00 0.08 H HETATM 1634 H93 LV A 8 46.764 -21.461 17.157 1.00 0.19 H HETATM 1635 CB LV A 8 44.893 -23.114 18.892 1.00 0.04 C HETATM 1636 CG LV A 8 44.096 -24.415 19.318 1.00 0.04 C HETATM 1637 OD1 LV A 8 43.272 -24.972 18.509 1.00 -0.57 O HETATM 1638 OD2 LV A 8 44.243 -24.814 20.534 1.00 -0.57 O HETATM 1639 H91 LV A 8 44.585 -22.286 19.547 1.00 0.05 H HETATM 1640 H92 LV A 8 45.968 -23.305 19.023 1.00 0.05 H HETATM 1641 H90 LV A 8 43.612 -22.977 17.181 1.00 0.08 H HETATM 1642 H89 LV A 8 46.391 -23.842 16.922 1.00 0.19 H HETATM 1643 H87 LV A 8 45.972 -25.546 14.608 1.00 0.08 H HETATM 1644 H88 LV A 8 46.175 -24.222 13.412 1.00 0.08 H HETATM 1645 H86 LV A 8 48.073 -25.015 15.365 1.00 0.19 H HETATM 1646 CB LV A 8 50.548 -23.524 14.343 1.00 -0.00 C HETATM 1647 CG1 LV A 8 51.992 -23.315 14.787 1.00 -0.05 C HETATM 1648 CD1 LV A 8 52.986 -24.083 13.990 1.00 -0.06 C HETATM 1649 H83 LV A 8 53.998 -23.879 14.371 1.00 0.02 H HETATM 1650 H84 LV A 8 52.923 -23.779 12.935 1.00 0.02 H HETATM 1651 H85 LV A 8 52.772 -25.159 14.075 1.00 0.02 H HETATM 1652 H78 LV A 8 52.079 -23.624 15.839 1.00 0.03 H HETATM 1653 H79 LV A 8 52.230 -22.245 14.698 1.00 0.03 H HETATM 1654 CG2 LV A 8 50.308 -22.884 13.005 1.00 -0.06 C HETATM 1655 H80 LV A 8 49.263 -23.046 12.703 1.00 0.02 H HETATM 1656 H81 LV A 8 50.979 -23.333 12.258 1.00 0.02 H HETATM 1657 H82 LV A 8 50.507 -21.804 13.074 1.00 0.02 H HETATM 1658 H77 LV A 8 50.380 -24.606 14.243 1.00 0.03 H HETATM 1659 H76 LV A 8 49.779 -21.921 15.556 1.00 0.08 H HETATM 1660 H75 LV A 8 50.147 -24.564 16.660 1.00 0.19 H HETATM 1661 CB LV A 8 50.926 -24.064 19.320 1.00 -0.01 C HETATM 1662 CG LV A 8 51.554 -22.690 19.475 1.00 -0.02 C HETATM 1663 CD LV A 8 52.973 -22.790 20.033 1.00 0.06 C HETATM 1664 NE LV A 8 53.965 -23.338 19.104 1.00 -0.27 N HETATM 1665 CZ LV A 8 54.481 -22.689 18.035 1.00 0.29 C HETATM 1666 NH1 LV A 8 54.163 -21.420 17.800 1.00 -0.28 N HETATM 1667 H71 LV A 8 54.560 -20.932 16.984 1.00 0.26 H HETATM 1668 H72 LV A 8 53.520 -20.924 18.434 1.00 0.26 H HETATM 1669 NH2 LV A 8 55.326 -23.312 17.218 1.00 -0.28 N HETATM 1670 H73 LV A 8 55.579 -24.295 17.391 1.00 0.26 H HETATM 1671 H74 LV A 8 55.727 -22.811 16.412 1.00 0.26 H HETATM 1672 H70 LV A 8 54.297 -24.297 19.279 1.00 0.26 H HETATM 1673 H68 LV A 8 52.945 -23.436 20.923 1.00 0.07 H HETATM 1674 H69 LV A 8 53.298 -21.780 20.323 1.00 0.07 H HETATM 1675 H66 LV A 8 50.940 -22.090 20.163 1.00 0.03 H HETATM 1676 H67 LV A 8 51.589 -22.199 18.491 1.00 0.03 H HETATM 1677 H64 LV A 8 51.462 -24.587 18.515 1.00 0.03 H HETATM 1678 H65 LV A 8 51.068 -24.605 20.267 1.00 0.03 H HETATM 1679 H63 LV A 8 48.856 -23.710 19.839 1.00 0.08 H HETATM 1680 H62 LV A 8 49.849 -26.177 18.890 1.00 0.19 H HETATM 1681 CB LV A 8 48.055 -28.191 19.647 1.00 -0.01 C HETATM 1682 CG LV A 8 47.058 -29.268 20.067 1.00 -0.02 C HETATM 1683 CD LV A 8 47.369 -29.735 21.492 1.00 0.06 C HETATM 1684 NE LV A 8 46.659 -30.901 22.013 1.00 -0.27 N HETATM 1685 CZ LV A 8 47.143 -31.695 22.979 1.00 0.29 C HETATM 1686 NH1 LV A 8 48.430 -31.629 23.304 1.00 -0.28 N HETATM 1687 H58 LV A 8 48.806 -32.237 24.046 1.00 0.26 H HETATM 1688 H59 LV A 8 49.052 -30.970 22.814 1.00 0.26 H HETATM 1689 NH2 LV A 8 46.344 -32.535 23.632 1.00 -0.28 N HETATM 1690 H60 LV A 8 45.345 -32.592 23.386 1.00 0.26 H HETATM 1691 H61 LV A 8 46.724 -33.128 24.383 1.00 0.26 H HETATM 1692 H57 LV A 8 45.735 -31.125 21.616 1.00 0.26 H HETATM 1693 H55 LV A 8 47.149 -28.893 22.165 1.00 0.07 H HETATM 1694 H56 LV A 8 48.444 -29.965 21.531 1.00 0.07 H HETATM 1695 H53 LV A 8 47.132 -30.123 19.378 1.00 0.03 H HETATM 1696 H54 LV A 8 46.039 -28.856 20.032 1.00 0.03 H HETATM 1697 H51 LV A 8 48.015 -27.389 20.399 1.00 0.03 H HETATM 1698 H52 LV A 8 49.057 -28.646 19.649 1.00 0.03 H HETATM 1699 H50 LV A 8 46.852 -27.842 17.891 1.00 0.08 H HETATM 1700 H49 LV A 8 49.658 -28.514 17.696 1.00 0.19 H HETATM 1701 CB LV A 8 49.405 -29.734 14.745 1.00 -0.01 C HETATM 1702 CG LV A 8 50.016 -30.309 13.474 1.00 -0.04 C HETATM 1703 CD1 LV A 8 51.498 -30.008 13.336 1.00 -0.06 C HETATM 1704 H43 LV A 8 51.876 -30.449 12.402 1.00 0.02 H HETATM 1705 H44 LV A 8 52.041 -30.438 14.191 1.00 0.02 H HETATM 1706 H45 LV A 8 51.651 -28.919 13.316 1.00 0.02 H HETATM 1707 CD2 LV A 8 49.807 -31.811 13.413 1.00 -0.06 C HETATM 1708 H46 LV A 8 48.735 -32.036 13.512 1.00 0.02 H HETATM 1709 H47 LV A 8 50.360 -32.292 14.233 1.00 0.02 H HETATM 1710 H48 LV A 8 50.174 -32.194 12.449 1.00 0.02 H HETATM 1711 H42 LV A 8 49.497 -29.851 12.619 1.00 0.03 H HETATM 1712 H40 LV A 8 48.314 -29.706 14.608 1.00 0.03 H HETATM 1713 H41 LV A 8 49.653 -30.415 15.572 1.00 0.03 H HETATM 1714 H39 LV A 8 49.964 -27.716 14.243 1.00 0.08 H HETATM 1715 H38 LV A 8 51.583 -29.230 16.043 1.00 0.19 H HETATM 1716 CB LV A 8 54.148 -27.626 15.980 1.00 -0.02 C HETATM 1717 H35 LV A 8 54.190 -26.902 15.153 1.00 0.03 H HETATM 1718 H36 LV A 8 53.968 -28.634 15.577 1.00 0.03 H HETATM 1719 H37 LV A 8 55.103 -27.614 16.526 1.00 0.03 H HETATM 1720 H34 LV A 8 53.245 -26.259 17.327 1.00 0.08 H HETATM 1721 H33 LV A 8 53.646 -29.004 17.922 1.00 0.19 H HETATM 1722 CB LV A 8 53.732 -28.904 20.699 1.00 0.00 C HETATM 1723 CG LV A 8 54.210 -30.122 21.463 1.00 0.04 C HETATM 1724 CD LV A 8 55.153 -31.047 20.691 1.00 0.18 C HETATM 1725 OE1 LV A 8 54.686 -31.896 19.930 1.00 -0.40 O HETATM 1726 H31 LV A 8 53.326 -30.707 21.758 1.00 0.05 H HETATM 1727 H32 LV A 8 54.737 -29.774 22.363 1.00 0.05 H HETATM 1728 H29 LV A 8 53.656 -28.049 21.386 1.00 0.03 H HETATM 1729 H30 LV A 8 54.450 -28.670 19.899 1.00 0.03 H HETATM 1730 H28 LV A 8 51.588 -29.096 20.853 1.00 0.08 H HETATM 1731 H27 LV A 8 53.155 -31.124 19.604 1.00 0.19 H HETATM 1732 CB1 LV A 8 50.334 -32.840 17.322 1.00 -0.03 C HETATM 1733 H21 LV A 8 49.372 -32.659 17.823 1.00 0.02 H HETATM 1734 H22 LV A 8 50.397 -33.896 17.020 1.00 0.02 H HETATM 1735 H23 LV A 8 50.410 -32.198 16.432 1.00 0.02 H HETATM 1736 CB2 LV A 8 51.297 -33.569 19.362 1.00 -0.03 C HETATM 1737 H24 LV A 8 50.314 -33.442 19.839 1.00 0.02 H HETATM 1738 H25 LV A 8 52.088 -33.457 20.118 1.00 0.02 H HETATM 1739 H26 LV A 8 51.359 -34.571 18.912 1.00 0.02 H HETATM 1740 H20 LV A 8 53.358 -33.512 17.976 1.00 0.18 H HETATM 1741 CB LV A 8 54.760 -33.479 15.373 1.00 -0.00 C HETATM 1742 CG1 LV A 8 56.194 -33.799 14.949 1.00 -0.05 C HETATM 1743 CD1 LV A 8 56.256 -34.908 13.928 1.00 -0.06 C HETATM 1744 H17 LV A 8 57.305 -35.099 13.657 1.00 0.02 H HETATM 1745 H18 LV A 8 55.694 -34.612 13.030 1.00 0.02 H HETATM 1746 H19 LV A 8 55.815 -35.822 14.352 1.00 0.02 H HETATM 1747 H12 LV A 8 56.766 -34.104 15.838 1.00 0.03 H HETATM 1748 H13 LV A 8 56.645 -32.894 14.516 1.00 0.03 H HETATM 1749 CG2 LV A 8 53.794 -33.392 14.199 1.00 -0.06 C HETATM 1750 H14 LV A 8 52.785 -33.160 14.571 1.00 0.02 H HETATM 1751 H15 LV A 8 53.776 -34.354 13.666 1.00 0.02 H HETATM 1752 H16 LV A 8 54.123 -32.599 13.512 1.00 0.02 H HETATM 1753 H11 LV A 8 54.421 -34.313 16.006 1.00 0.03 H HETATM 1754 H10 LV A 8 55.023 -31.364 15.594 1.00 0.08 H HETATM 1755 H9 LV A 8 55.922 -33.153 17.787 1.00 0.19 H HETATM 1756 H2 LV A 8 57.745 -30.278 18.763 1.00 0.08 H HETATM 1757 H1 LV A 8 56.594 -29.683 20.705 1.00 0.19 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1494 1495 1724 1757 CONECT 1495 1494 1496 1507 1756 CONECT 1496 1495 1497 1505 1506 CONECT 1497 1496 1498 1504 CONECT 1498 1497 1499 1500 CONECT 1499 1498 CONECT 1500 1498 1501 1502 1503 CONECT 1501 1500 CONECT 1502 1500 CONECT 1503 1500 CONECT 1504 1497 CONECT 1505 1496 CONECT 1506 1496 CONECT 1507 1495 1508 1509 CONECT 1508 1507 CONECT 1509 1507 1510 1755 CONECT 1510 1509 1511 1741 1754 CONECT 1511 1510 1512 1513 CONECT 1512 1511 CONECT 1513 1511 1514 1740 CONECT 1514 1513 1515 1732 1736 CONECT 1515 1514 1516 1517 CONECT 1516 1515 CONECT 1517 1515 1518 1731 CONECT 1518 1517 1519 1722 1730 CONECT 1519 1518 1520 1521 CONECT 1520 1519 CONECT 1521 1519 1522 1721 CONECT 1522 1521 1523 1716 1720 CONECT 1523 1522 1524 1525 CONECT 1524 1523 CONECT 1525 1523 1526 1715 CONECT 1526 1525 1527 1701 1714 CONECT 1527 1526 1528 1529 CONECT 1528 1527 CONECT 1529 1527 1530 1700 CONECT 1530 1529 1531 1681 1699 CONECT 1531 1530 1532 1533 CONECT 1532 1531 CONECT 1533 1531 1534 1680 CONECT 1534 1533 1535 1661 1679 CONECT 1535 1534 1536 1537 CONECT 1536 1535 CONECT 1537 1535 1538 1660 CONECT 1538 1537 1539 1646 1659 CONECT 1539 1538 1540 1541 CONECT 1540 1539 CONECT 1541 1539 1542 1645 CONECT 1542 1541 1543 1643 1644 CONECT 1543 1542 1544 1545 CONECT 1544 1543 CONECT 1545 1543 1546 1642 CONECT 1546 1545 1547 1635 1641 CONECT 1547 1546 1548 1549 CONECT 1548 1547 CONECT 1549 1547 1550 1634 CONECT 1550 1549 1551 1629 1633 CONECT 1551 1550 1552 1553 CONECT 1552 1551 CONECT 1553 1551 1554 1628 CONECT 1554 1553 1555 1613 1627 CONECT 1555 1554 1556 1557 CONECT 1556 1555 CONECT 1557 1555 1558 1612 CONECT 1558 1557 1559 1603 1611 CONECT 1559 1558 1560 1561 CONECT 1560 1559 CONECT 1561 1559 1562 1602 CONECT 1562 1561 1563 1597 1601 CONECT 1563 1562 1564 1565 CONECT 1564 1563 CONECT 1565 1563 1566 1596 CONECT 1566 1565 1567 1591 1595 CONECT 1567 1566 1568 1569 CONECT 1568 1567 CONECT 1569 1567 1570 1590 CONECT 1570 1569 1571 1574 1589 CONECT 1571 1570 1572 1573 CONECT 1572 1571 CONECT 1573 1571 CONECT 1574 1570 1575 1587 1588 CONECT 1575 1574 1576 1580 CONECT 1576 1575 1577 1586 CONECT 1577 1576 1578 1585 CONECT 1578 1577 1579 1583 CONECT 1579 1578 1580 1582 CONECT 1580 1575 1579 1581 CONECT 1581 1580 CONECT 1582 1579 CONECT 1583 1578 1584 CONECT 1584 1583 CONECT 1585 1577 CONECT 1586 1576 CONECT 1587 1574 CONECT 1588 1574 CONECT 1589 1570 CONECT 1590 1569 CONECT 1591 1566 1592 1593 1594 CONECT 1592 1591 CONECT 1593 1591 CONECT 1594 1591 CONECT 1595 1566 CONECT 1596 1565 CONECT 1597 1562 1598 1599 1600 CONECT 1598 1597 CONECT 1599 1597 CONECT 1600 1597 CONECT 1601 1562 CONECT 1602 1561 CONECT 1603 1558 1604 1609 1610 CONECT 1604 1603 1605 1606 CONECT 1605 1604 CONECT 1606 1604 1607 1608 CONECT 1607 1606 CONECT 1608 1606 CONECT 1609 1603 CONECT 1610 1603 CONECT 1611 1558 CONECT 1612 1557 CONECT 1613 1554 1614 1625 1626 CONECT 1614 1613 1615 1619 CONECT 1615 1614 1616 1624 CONECT 1616 1615 1617 1623 CONECT 1617 1616 1618 1622 CONECT 1618 1617 1619 1621 CONECT 1619 1614 1618 1620 CONECT 1620 1619 CONECT 1621 1618 CONECT 1622 1617 CONECT 1623 1616 CONECT 1624 1615 CONECT 1625 1613 CONECT 1626 1613 CONECT 1627 1554 CONECT 1628 1553 CONECT 1629 1550 1630 1631 1632 CONECT 1630 1629 CONECT 1631 1629 CONECT 1632 1629 CONECT 1633 1550 CONECT 1634 1549 CONECT 1635 1546 1636 1639 1640 CONECT 1636 1635 1637 1638 CONECT 1637 1636 CONECT 1638 1636 CONECT 1639 1635 CONECT 1640 1635 CONECT 1641 1546 CONECT 1642 1545 CONECT 1643 1542 CONECT 1644 1542 CONECT 1645 1541 CONECT 1646 1538 1647 1654 1658 CONECT 1647 1646 1648 1652 1653 CONECT 1648 1647 1649 1650 1651 CONECT 1649 1648 CONECT 1650 1648 CONECT 1651 1648 CONECT 1652 1647 CONECT 1653 1647 CONECT 1654 1646 1655 1656 1657 CONECT 1655 1654 CONECT 1656 1654 CONECT 1657 1654 CONECT 1658 1646 CONECT 1659 1538 CONECT 1660 1537 CONECT 1661 1534 1662 1677 1678 CONECT 1662 1661 1663 1675 1676 CONECT 1663 1662 1664 1673 1674 CONECT 1664 1663 1665 1672 CONECT 1665 1664 1666 1669 CONECT 1666 1665 1667 1668 CONECT 1667 1666 CONECT 1668 1666 CONECT 1669 1665 1670 1671 CONECT 1670 1669 CONECT 1671 1669 CONECT 1672 1664 CONECT 1673 1663 CONECT 1674 1663 CONECT 1675 1662 CONECT 1676 1662 CONECT 1677 1661 CONECT 1678 1661 CONECT 1679 1534 CONECT 1680 1533 CONECT 1681 1530 1682 1697 1698 CONECT 1682 1681 1683 1695 1696 CONECT 1683 1682 1684 1693 1694 CONECT 1684 1683 1685 1692 CONECT 1685 1684 1686 1689 CONECT 1686 1685 1687 1688 CONECT 1687 1686 CONECT 1688 1686 CONECT 1689 1685 1690 1691 CONECT 1690 1689 CONECT 1691 1689 CONECT 1692 1684 CONECT 1693 1683 CONECT 1694 1683 CONECT 1695 1682 CONECT 1696 1682 CONECT 1697 1681 CONECT 1698 1681 CONECT 1699 1530 CONECT 1700 1529 CONECT 1701 1526 1702 1712 1713 CONECT 1702 1701 1703 1707 1711 CONECT 1703 1702 1704 1705 1706 CONECT 1704 1703 CONECT 1705 1703 CONECT 1706 1703 CONECT 1707 1702 1708 1709 1710 CONECT 1708 1707 CONECT 1709 1707 CONECT 1710 1707 CONECT 1711 1702 CONECT 1712 1701 CONECT 1713 1701 CONECT 1714 1526 CONECT 1715 1525 CONECT 1716 1522 1717 1718 1719 CONECT 1717 1716 CONECT 1718 1716 CONECT 1719 1716 CONECT 1720 1522 CONECT 1721 1521 CONECT 1722 1518 1723 1728 1729 CONECT 1723 1722 1724 1726 1727 CONECT 1724 1494 1723 1725 CONECT 1725 1724 CONECT 1726 1723 CONECT 1727 1723 CONECT 1728 1722 CONECT 1729 1722 CONECT 1730 1518 CONECT 1731 1517 CONECT 1732 1514 1733 1734 1735 CONECT 1733 1732 CONECT 1734 1732 CONECT 1735 1732 CONECT 1736 1514 1737 1738 1739 CONECT 1737 1736 CONECT 1738 1736 CONECT 1739 1736 CONECT 1740 1513 CONECT 1741 1510 1742 1749 1753 CONECT 1742 1741 1743 1747 1748 CONECT 1743 1742 1744 1745 1746 CONECT 1744 1743 CONECT 1745 1743 CONECT 1746 1743 CONECT 1747 1742 CONECT 1748 1742 CONECT 1749 1741 1750 1751 1752 CONECT 1750 1749 CONECT 1751 1749 CONECT 1752 1749 CONECT 1753 1741 CONECT 1754 1510 CONECT 1755 1509 CONECT 1756 1495 CONECT 1757 1494 MASTER 0 0 0 0 0 0 0 0 1756 1 268 12 END
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17-mer
3uzd
RCSB PDB
PDBbind
17-mer
3v30
RCSB PDB
PDBbind
17-mer
3wp1
RCSB PDB
PDBbind
17-mer
4b60
RCSB PDB
PDBbind
17-mer
4blb
RCSB PDB
PDBbind
17-mer
4djs
RCSB PDB
PDBbind
17-mer
4esg
RCSB PDB
PDBbind
17-mer
4fmq
RCSB PDB
PDBbind
17-mer
4gy5
RCSB PDB
PDBbind
17-mer
4i31
RCSB PDB
PDBbind
17-mer
4i32
RCSB PDB
PDBbind
17-mer
4i33
RCSB PDB
PDBbind
17-mer
4j2c
RCSB PDB
PDBbind
17-mer
4kmd
RCSB PDB
PDBbind
17-mer
4lg6
RCSB PDB
PDBbind
17-mer
4ngh
RCSB PDB
PDBbind
17-mer
4nhc
RCSB PDB
PDBbind
17-mer
4odn
RCSB PDB
PDBbind
17-mer
4qqi
RCSB PDB
PDBbind
17-mer
4tzq
RCSB PDB
PDBbind
17-mer
4u0c
RCSB PDB
PDBbind
17-mer
4u0d
RCSB PDB
PDBbind
17-mer
4uu5
RCSB PDB
PDBbind
17-mer
4wym
RCSB PDB
PDBbind
17-mer
4z88
RCSB PDB
PDBbind
17-mer
4z89
RCSB PDB
PDBbind
17-mer
4z8a
RCSB PDB
PDBbind
17-mer
5ajo
RCSB PDB
PDBbind
17-mer
5ajp
RCSB PDB
PDBbind
17-mer
5fos
RCSB PDB
PDBbind
17-mer
5hog
RCSB PDB
PDBbind
17-mer
5i22
RCSB PDB
PDBbind
17-mer
5ixt
RCSB PDB
PDBbind
17-mer
5j3v
RCSB PDB
PDBbind
17-mer
5twh
RCSB PDB
PDBbind
17-mer
5vlp
RCSB PDB
PDBbind
17-mer
5vzu
RCSB PDB
PDBbind
17-mer
5xgl
RCSB PDB
PDBbind
17-mer
5xxf
RCSB PDB
PDBbind
17-mer
5yco
RCSB PDB
PDBbind
17-mer
5znr
RCSB PDB
PDBbind
17-mer
6a6w
RCSB PDB
PDBbind
17-mer
6e49
RCSB PDB
PDBbind
17-mer
6f6d
RCSB PDB
PDBbind
17-mer
6qtm
RCSB PDB
PDBbind
17-mer
6q36
RCSB PDB
PDBbind
17-mer
6njz
RCSB PDB
PDBbind
17-mer
6kmj
RCSB PDB
PDBbind
17-mer
6dat
RCSB PDB
PDBbind
17-mer
6da1
RCSB PDB
PDBbind
17-mer
5zk5
RCSB PDB
PDBbind
17-mer
5oy3
RCSB PDB
PDBbind
17-mer
6uyx
RCSB PDB
PDBbind
17-mer
6uyy
RCSB PDB
PDBbind
17-mer
6uyz
RCSB PDB
PDBbind
17-mer
Entry Information
PDB ID
6rjp
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Bcl-2-related protein A1, human Bfl-1
Ligand Name
17-mer
EC.Number
E.C.-.-.-.-
Resolution
2.57(Å)
Affinity (Kd/Ki/IC50)
IC50=1.1nM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2020) Chem.Biol.Drug Des. Vol. 95: pp. 412-426
Ligand Properties
Formula
C
8
4
H
1
3
3
N
2
5
O
2
4
Molecular Weight
1877.110
Exact Mass
1876.000
No. of atoms
266
No. of bonds
268
Polar Surface Area
793.74
LOGP Value
3.01 (
Computed with XLOGP3
)
-1.40 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 20
No. of Hydrogen Bond Acceptors: 24
No. of Rotatable Bonds: 64
No. of Nitrogen and Oxygen Atoms: 49
No. of Rings: 3
Canonical SMILES
CC[C@@H]([C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)C)C)CC(=O)N)Cc1ccccc1)C)CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCC(=O)N[C@@H](CNC(=O)C)C(=O)N[C@H](C(=O)NC(C(=O)N1)(C)C)[C@H](CC)C)C)CC(C)C)CCC[NH+]=C(N)N)CCC[NH+]=C(N)N)C
InChI String
InChI=1S/C84H131N25O24/c1-14-41(5)64(78(129)93-39-62(114)98-57(37-63(115)116)74(125)97-46(10)68(119)103-55(34-48-21-17-16-18-22-48)76(127)104-56(36-60(85)112)73(124)96-43(7)66(117)94-44(8)69(120)105-58(80(131)132)35-49-25-27-50(111)28-26-49)107-72(123)52(24-20-32-91-83(88)89)100-71(122)51(23-19-31-90-82(86)87)101-75(126)54(33-40(3)4)102-67(118)45(9)95-70(121)53-29-30-61(113)99-59(38-92-47(11)110)77(128)108-65(42(6)15-2)79(130)109-84(12,13)81(133)106-53/h16-18,21-22,25-28,40-46,51-59,64-65,111H,14-15,19-20,23-24,29-39H2,1-13H3,(H2,85,112)(H,92,110)(H,93,129)(H,94,117)(H,95,121)(H,96,124)(H,97,125)(H,98,114)(H,99,113)(H,100,122)(H,101,126)(H,102,118)(H,103,119)(H,104,127)(H,105,120)(H,106,133)(H,107,123)(H,108,128)(H,109,130)(H,115,116)(H,131,132)(H4,86,87,90)(H4,88,89,91)/p+2/t41-,42-,43-,44-,45-,46-,51-,52-,53-,54-,55-,56-,57-,58-,59-,64-,65-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
O43521
Q16548
Entrez Gene ID
NCBI Entrez Gene ID:
10018
597
ASD
Information of known allosteric effects of PDB entries
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