Browse entries in the PDBbind-CN Database
HEADER 4YM4_COMPLEX COMPND 4YM4_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 141 GLU GLU THR VAL THR CYS LEU GLN MSE THR VAL TYR HIS SEQRES 2 A 141 PRO GLY GLN LEU GLN CYS GLY ILE PHE GLN SER ILE SER SEQRES 3 A 141 PHE ASN ARG GLU LYS LEU PRO SER SER GLU VAL VAL LYS SEQRES 4 A 141 PHE GLY ARG ASN SER ASN ILE CYS HIS TYR THR PHE GLN SEQRES 5 A 141 ASP LYS GLN VAL SER ARG VAL GLN PHE SER LEU GLN LEU SEQRES 6 A 141 PHE LYS LYS PHE ASN SER SER VAL LEU SER PHE GLU ILE SEQRES 7 A 141 LYS ASN MSE SER LYS LYS THR ASN LEU ILE VAL ASP SER SEQRES 8 A 141 ARG GLU LEU GLY TYR LEU ASN LYS MSE ASP LEU PRO TYR SEQRES 9 A 141 ARG CYS MSE VAL ARG PHE GLY GLU TYR GLN PHE LEU MSE SEQRES 10 A 141 GLU LYS GLU ASP GLY GLU SER LEU GLU PHE PHE GLU THR SEQRES 11 A 141 GLN PHE ILE LEU SER PRO ARG SER LEU LEU GLN HET MSE A 18 9 HET MSE A 90 9 HET MSE A 109 9 HET MSE A 116 9 HET MSE A 126 9 HET MET A 142 171 ATOM 1 N GLU A 10 65.655 -25.898 31.799 1.00 65.76 N ATOM 2 CA GLU A 10 65.468 -25.987 30.367 1.00 76.05 C ATOM 3 C GLU A 10 64.871 -27.346 29.998 1.00 82.62 C ATOM 4 O GLU A 10 65.373 -28.383 30.413 1.00 79.28 O ATOM 5 CB GLU A 10 66.790 -25.720 29.651 1.00 77.27 C ATOM 6 CG GLU A 10 66.910 -26.343 28.274 1.00 88.54 C ATOM 7 CD GLU A 10 67.140 -27.834 28.340 1.00 93.45 C ATOM 8 OE1 GLU A 10 68.251 -28.228 28.736 1.00 95.97 O ATOM 9 OE2 GLU A 10 66.213 -28.604 28.014 1.00 86.11 O ATOM 10 HN3 GLU A 10 66.301 -26.651 32.110 1.00 0.00 H ATOM 11 HN2 GLU A 10 64.737 -26.009 32.275 1.00 0.00 H ATOM 12 HN1 GLU A 10 66.061 -24.971 32.037 1.00 0.00 H ATOM 13 N GLU A 11 63.808 -27.311 29.198 1.00 85.07 N ATOM 14 CA GLU A 11 62.994 -28.490 28.856 1.00 81.67 C ATOM 15 C GLU A 11 62.282 -28.286 27.528 1.00 70.99 C ATOM 16 O GLU A 11 62.301 -27.195 27.015 1.00 71.41 O ATOM 17 CB GLU A 11 61.951 -28.759 29.924 1.00 75.22 C ATOM 18 CG GLU A 11 61.576 -27.567 30.771 1.00 73.63 C ATOM 19 CD GLU A 11 60.936 -27.978 32.077 1.00 84.44 C ATOM 20 OE1 GLU A 11 60.745 -29.183 32.306 1.00 76.84 O ATOM 21 OE2 GLU A 11 60.635 -27.092 32.889 1.00 87.25 O ATOM 22 H GLU A 11 63.535 -26.395 28.789 1.00 0.00 H ATOM 23 N THR A 12 61.567 -29.252 26.984 1.00 59.03 N ATOM 24 CA THR A 12 60.921 -28.985 25.706 1.00 54.72 C ATOM 25 C THR A 12 59.920 -27.850 25.824 1.00 56.09 C ATOM 26 O THR A 12 59.340 -27.663 26.852 1.00 56.92 O ATOM 27 CB THR A 12 60.160 -30.193 25.183 1.00 53.40 C ATOM 28 OG1 THR A 12 58.998 -30.387 25.976 1.00 57.49 O ATOM 29 CG2 THR A 12 60.981 -31.399 25.276 1.00 57.98 C ATOM 30 HG1 THR A 12 58.425 -29.582 25.922 1.00 0.00 H ATOM 31 H THR A 12 61.468 -30.175 27.453 1.00 0.00 H ATOM 32 N VAL A 13 59.736 -27.091 24.765 1.00 55.99 N ATOM 33 CA VAL A 13 58.921 -25.909 24.821 1.00 53.54 C ATOM 34 C VAL A 13 57.824 -25.977 23.788 1.00 46.23 C ATOM 35 O VAL A 13 58.038 -26.439 22.709 1.00 48.80 O ATOM 36 CB VAL A 13 59.785 -24.679 24.594 1.00 42.89 C ATOM 37 CG1 VAL A 13 58.963 -23.442 24.421 1.00 43.60 C ATOM 38 CG2 VAL A 13 60.696 -24.481 25.763 1.00 38.80 C ATOM 39 H VAL A 13 60.191 -27.353 23.867 1.00 0.00 H ATOM 40 N THR A 14 56.641 -25.515 24.130 1.00 40.80 N ATOM 41 CA THR A 14 55.538 -25.534 23.213 1.00 37.16 C ATOM 42 C THR A 14 55.889 -24.646 22.084 1.00 37.42 C ATOM 43 O THR A 14 56.542 -23.676 22.285 1.00 36.51 O ATOM 44 CB THR A 14 54.329 -24.988 23.915 1.00 35.16 C ATOM 45 OG1 THR A 14 54.390 -25.433 25.261 1.00 45.08 O ATOM 46 CG2 THR A 14 53.119 -25.499 23.315 1.00 32.38 C ATOM 47 HG1 THR A 14 53.605 -25.090 25.757 1.00 0.00 H ATOM 48 H THR A 14 56.502 -25.128 25.085 1.00 0.00 H ATOM 49 N CYS A 15 55.512 -25.014 20.877 1.00 33.88 N ATOM 50 CA CYS A 15 55.803 -24.212 19.713 1.00 34.34 C ATOM 51 C CYS A 15 54.511 -23.951 19.060 1.00 33.90 C ATOM 52 O CYS A 15 53.810 -24.868 18.758 1.00 33.16 O ATOM 53 CB CYS A 15 56.644 -25.012 18.737 1.00 40.78 C ATOM 54 SG CYS A 15 57.544 -24.075 17.500 1.00 55.10 S ATOM 55 H CYS A 15 54.991 -25.906 20.760 1.00 0.00 H ATOM 56 N LEU A 16 54.215 -22.710 18.754 1.00 34.56 N ATOM 57 CA LEU A 16 53.080 -22.418 17.937 1.00 33.97 C ATOM 58 C LEU A 16 53.651 -21.946 16.666 1.00 34.73 C ATOM 59 O LEU A 16 54.448 -21.069 16.671 1.00 37.92 O ATOM 60 CB LEU A 16 52.269 -21.295 18.527 1.00 35.74 C ATOM 61 CG LEU A 16 51.025 -20.829 17.813 1.00 31.41 C ATOM 62 CD1 LEU A 16 49.900 -21.769 18.064 1.00 32.78 C ATOM 63 CD2 LEU A 16 50.628 -19.494 18.344 1.00 27.45 C ATOM 64 H LEU A 16 54.810 -21.934 19.108 1.00 0.00 H ATOM 65 N GLN A 17 53.238 -22.543 15.569 1.00 33.64 N ATOM 66 CA GLN A 17 53.746 -22.256 14.260 1.00 31.18 C ATOM 67 C GLN A 17 52.607 -21.782 13.448 1.00 30.51 C ATOM 68 O GLN A 17 51.608 -22.411 13.423 1.00 34.72 O ATOM 69 CB GLN A 17 54.252 -23.545 13.680 1.00 32.71 C ATOM 70 CG GLN A 17 54.417 -23.591 12.190 1.00 34.47 C ATOM 71 CD GLN A 17 55.145 -24.815 11.766 1.00 46.36 C ATOM 72 OE1 GLN A 17 54.684 -25.554 10.935 1.00 44.89 O ATOM 73 NE2 GLN A 17 56.279 -25.048 12.360 1.00 47.59 N ATOM 74 HE22 GLN A 17 56.639 -24.382 13.072 1.00 0.00 H ATOM 75 HE21 GLN A 17 56.825 -25.901 12.122 1.00 0.00 H ATOM 76 H GLN A 17 52.497 -23.268 15.657 1.00 0.00 H HETATM 77 N MSE A 18 52.753 -20.657 12.796 1.00 34.21 N HETATM 78 CA MSE A 18 51.680 -20.089 12.051 1.00 29.05 C HETATM 79 C MSE A 18 52.192 -19.757 10.722 1.00 26.12 C HETATM 80 O MSE A 18 53.196 -19.109 10.615 1.00 25.52 O HETATM 81 CB MSE A 18 51.130 -18.842 12.712 1.00 39.99 C HETATM 82 CG MSE A 18 52.089 -18.159 13.644 1.00 46.07 C HETATM 83 SE MSE A 18 51.200 -17.185 15.031 1.00 90.62 S HETATM 84 CE MSE A 18 52.775 -17.158 16.174 1.00 59.12 C HETATM 85 H MSE A 18 53.670 -20.168 12.822 1.00 0.00 H ATOM 86 N THR A 19 51.473 -20.166 9.703 1.00 22.88 N ATOM 87 CA THR A 19 51.866 -19.999 8.358 1.00 19.74 C ATOM 88 C THR A 19 50.932 -18.968 7.859 1.00 20.24 C ATOM 89 O THR A 19 49.782 -19.097 8.062 1.00 22.95 O ATOM 90 CB THR A 19 51.624 -21.305 7.659 1.00 17.87 C ATOM 91 OG1 THR A 19 52.570 -22.253 8.124 1.00 16.27 O ATOM 92 CG2 THR A 19 51.798 -21.161 6.252 1.00 17.16 C ATOM 93 HG1 THR A 19 52.419 -23.119 7.669 1.00 0.00 H ATOM 94 H THR A 19 50.567 -20.638 9.897 1.00 0.00 H ATOM 95 N VAL A 20 51.429 -17.921 7.225 1.00 21.04 N ATOM 96 CA VAL A 20 50.612 -16.805 6.821 1.00 19.50 C ATOM 97 C VAL A 20 50.585 -16.689 5.335 1.00 23.25 C ATOM 98 O VAL A 20 51.542 -16.955 4.704 1.00 26.18 O ATOM 99 CB VAL A 20 51.239 -15.504 7.256 1.00 20.42 C ATOM 100 CG1 VAL A 20 51.152 -15.340 8.723 1.00 27.21 C ATOM 101 CG2 VAL A 20 52.674 -15.477 6.878 1.00 17.83 C ATOM 102 H VAL A 20 52.446 -17.902 7.010 1.00 0.00 H ATOM 103 N TYR A 21 49.460 -16.304 4.783 1.00 20.25 N ATOM 104 CA TYR A 21 49.382 -15.888 3.430 1.00 21.25 C ATOM 105 C TYR A 21 48.477 -14.675 3.376 1.00 25.37 C ATOM 106 O TYR A 21 47.525 -14.595 4.092 1.00 26.14 O ATOM 107 CB TYR A 21 48.803 -16.996 2.607 1.00 21.04 C ATOM 108 CG TYR A 21 48.416 -16.579 1.236 1.00 27.87 C ATOM 109 CD1 TYR A 21 49.345 -16.411 0.259 1.00 28.17 C ATOM 110 CD2 TYR A 21 47.125 -16.350 0.923 1.00 25.85 C ATOM 111 CE1 TYR A 21 48.987 -16.029 -0.987 1.00 29.34 C ATOM 112 CE2 TYR A 21 46.766 -15.983 -0.329 1.00 29.95 C ATOM 113 CZ TYR A 21 47.713 -15.819 -1.265 1.00 30.97 C ATOM 114 OH TYR A 21 47.372 -15.433 -2.511 1.00 38.38 O ATOM 115 HH TYR A 21 48.187 -15.362 -3.068 1.00 0.00 H ATOM 116 H TYR A 21 48.594 -16.304 5.358 1.00 0.00 H ATOM 117 N HIS A 22 48.813 -13.700 2.561 1.00 25.78 N ATOM 118 CA HIS A 22 47.921 -12.689 2.169 1.00 24.75 C ATOM 119 C HIS A 22 48.213 -12.463 0.748 1.00 30.00 C ATOM 120 O HIS A 22 49.358 -12.285 0.436 1.00 32.20 O ATOM 121 CB HIS A 22 48.240 -11.460 2.943 1.00 25.53 C ATOM 122 CG HIS A 22 47.440 -10.281 2.536 1.00 32.16 C ATOM 123 ND1 HIS A 22 46.768 -10.253 1.429 1.00 34.24 N ATOM 124 CD2 HIS A 22 47.216 -9.094 3.142 1.00 33.42 C ATOM 125 CE1 HIS A 22 46.158 -9.099 1.310 1.00 31.98 C ATOM 126 NE2 HIS A 22 46.426 -8.396 2.355 1.00 30.58 N ATOM 127 H HIS A 22 49.784 -13.676 2.189 1.00 0.00 H ATOM 128 N PRO A 23 47.220 -12.369 -0.114 1.00 34.17 N ATOM 129 CA PRO A 23 47.498 -12.183 -1.521 1.00 37.44 C ATOM 130 C PRO A 23 48.089 -10.839 -1.699 1.00 41.35 C ATOM 131 O PRO A 23 47.583 -9.859 -1.218 1.00 41.58 O ATOM 132 CB PRO A 23 46.127 -12.186 -2.124 1.00 35.60 C ATOM 133 CG PRO A 23 45.315 -11.571 -1.103 1.00 31.36 C ATOM 134 CD PRO A 23 45.811 -12.125 0.168 1.00 32.33 C ATOM 135 N GLY A 24 49.175 -10.756 -2.405 1.00 45.14 N ATOM 136 CA GLY A 24 49.847 -9.475 -2.397 1.00 48.73 C ATOM 137 C GLY A 24 50.535 -9.159 -1.089 1.00 39.21 C ATOM 138 O GLY A 24 50.537 -8.048 -0.601 1.00 41.15 O ATOM 139 H GLY A 24 49.541 -11.565 -2.946 1.00 0.00 H ATOM 140 N GLN A 25 51.145 -10.173 -0.527 1.00 37.72 N ATOM 141 CA GLN A 25 52.035 -9.980 0.573 1.00 33.36 C ATOM 142 C GLN A 25 53.320 -9.425 0.042 1.00 36.09 C ATOM 143 O GLN A 25 54.162 -8.911 0.788 1.00 39.92 O ATOM 144 CB GLN A 25 52.261 -11.293 1.270 1.00 32.92 C ATOM 145 CG GLN A 25 52.431 -12.432 0.316 1.00 30.99 C ATOM 146 CD GLN A 25 52.194 -13.772 0.958 1.00 24.74 C ATOM 147 OE1 GLN A 25 51.592 -13.872 2.020 1.00 31.82 O ATOM 148 NE2 GLN A 25 52.717 -14.805 0.345 1.00 22.54 N ATOM 149 HE22 GLN A 25 53.220 -14.675 -0.556 1.00 0.00 H ATOM 150 HE21 GLN A 25 52.629 -15.755 0.759 1.00 0.00 H ATOM 151 H GLN A 25 50.978 -11.134 -0.888 1.00 0.00 H ATOM 152 N LEU A 26 53.454 -9.526 -1.273 1.00 39.89 N ATOM 153 CA LEU A 26 54.674 -9.140 -1.957 1.00 37.72 C ATOM 154 C LEU A 26 54.709 -7.668 -2.335 1.00 44.11 C ATOM 155 O LEU A 26 55.727 -7.209 -2.820 1.00 51.85 O ATOM 156 CB LEU A 26 54.860 -9.998 -3.209 1.00 30.92 C ATOM 157 CG LEU A 26 55.490 -11.364 -2.963 1.00 24.86 C ATOM 158 CD1 LEU A 26 55.624 -12.164 -4.200 1.00 25.14 C ATOM 159 CD2 LEU A 26 56.833 -11.160 -2.393 1.00 34.10 C ATOM 160 H LEU A 26 52.658 -9.894 -1.833 1.00 0.00 H ATOM 161 N GLN A 27 53.627 -6.924 -2.086 1.00 48.27 N ATOM 162 CA GLN A 27 53.476 -5.588 -2.668 1.00 48.91 C ATOM 163 C GLN A 27 53.906 -4.434 -1.790 1.00 57.41 C ATOM 164 O GLN A 27 54.943 -3.850 -2.034 1.00 67.61 O ATOM 165 CB GLN A 27 52.036 -5.381 -3.123 1.00 51.39 C ATOM 166 CG GLN A 27 51.585 -6.500 -4.051 1.00 56.73 C ATOM 167 CD GLN A 27 50.251 -6.260 -4.740 1.00 67.32 C ATOM 168 OE1 GLN A 27 50.081 -6.612 -5.903 1.00 76.67 O ATOM 169 NE2 GLN A 27 49.301 -5.666 -4.028 1.00 71.53 N ATOM 170 HE22 GLN A 27 49.488 -5.384 -3.045 1.00 0.00 H ATOM 171 HE21 GLN A 27 48.370 -5.483 -4.454 1.00 0.00 H ATOM 172 H GLN A 27 52.879 -7.300 -1.468 1.00 0.00 H ATOM 173 N CYS A 28 53.129 -4.073 -0.792 1.00 63.05 N ATOM 174 CA CYS A 28 53.516 -2.920 0.003 1.00 62.32 C ATOM 175 C CYS A 28 54.119 -3.297 1.325 1.00 51.09 C ATOM 176 O CYS A 28 53.930 -2.600 2.312 1.00 54.07 O ATOM 177 CB CYS A 28 52.311 -2.022 0.202 1.00 75.77 C ATOM 178 SG CYS A 28 50.796 -3.003 0.009 1.00101.99 S ATOM 179 H CYS A 28 52.259 -4.600 -0.577 1.00 0.00 H ATOM 180 N GLY A 29 54.888 -4.374 1.334 1.00 51.46 N ATOM 181 CA GLY A 29 55.518 -4.813 2.560 1.00 48.19 C ATOM 182 C GLY A 29 54.542 -4.972 3.694 1.00 47.75 C ATOM 183 O GLY A 29 54.702 -4.389 4.748 1.00 48.12 O ATOM 184 H GLY A 29 55.040 -4.908 0.455 1.00 0.00 H ATOM 185 N ILE A 30 53.482 -5.706 3.430 1.00 46.16 N ATOM 186 CA ILE A 30 52.580 -6.128 4.461 1.00 38.58 C ATOM 187 C ILE A 30 53.364 -6.632 5.624 1.00 41.21 C ATOM 188 O ILE A 30 53.310 -6.103 6.716 1.00 44.11 O ATOM 189 CB ILE A 30 51.700 -7.259 3.978 1.00 43.01 C ATOM 190 CG1 ILE A 30 50.888 -6.814 2.789 1.00 45.56 C ATOM 191 CG2 ILE A 30 50.764 -7.673 5.035 1.00 47.02 C ATOM 192 CD1 ILE A 30 50.042 -5.638 3.114 1.00 61.29 C ATOM 193 H ILE A 30 53.294 -5.987 2.447 1.00 0.00 H ATOM 194 N PHE A 31 54.138 -7.663 5.359 1.00 41.15 N ATOM 195 CA PHE A 31 54.705 -8.428 6.435 1.00 43.09 C ATOM 196 C PHE A 31 56.058 -7.905 6.814 1.00 45.89 C ATOM 197 O PHE A 31 56.845 -8.614 7.441 1.00 48.73 O ATOM 198 CB PHE A 31 54.793 -9.890 6.032 1.00 42.82 C ATOM 199 CG PHE A 31 53.453 -10.547 5.825 1.00 40.67 C ATOM 200 CD1 PHE A 31 52.405 -10.283 6.672 1.00 35.97 C ATOM 201 CD2 PHE A 31 53.251 -11.440 4.800 1.00 35.22 C ATOM 202 CE1 PHE A 31 51.206 -10.887 6.497 1.00 29.62 C ATOM 203 CE2 PHE A 31 52.042 -12.044 4.644 1.00 31.39 C ATOM 204 CZ PHE A 31 51.028 -11.761 5.490 1.00 30.46 C ATOM 205 H PHE A 31 54.339 -7.924 4.372 1.00 0.00 H ATOM 206 N GLN A 32 56.313 -6.657 6.437 1.00 45.20 N ATOM 207 CA GLN A 32 57.628 -6.054 6.578 1.00 47.90 C ATOM 208 C GLN A 32 58.106 -6.146 7.979 1.00 49.13 C ATOM 209 O GLN A 32 59.258 -6.432 8.240 1.00 53.20 O ATOM 210 CB GLN A 32 57.596 -4.595 6.166 1.00 51.51 C ATOM 211 CG GLN A 32 58.776 -3.795 6.640 1.00 56.50 C ATOM 212 CD GLN A 32 59.035 -2.590 5.755 1.00 64.41 C ATOM 213 OE1 GLN A 32 58.706 -1.463 6.120 1.00 75.00 O ATOM 214 NE2 GLN A 32 59.621 -2.821 4.578 1.00 59.64 N ATOM 215 HE22 GLN A 32 59.883 -3.791 4.309 1.00 0.00 H ATOM 216 HE21 GLN A 32 59.816 -2.031 3.930 1.00 0.00 H ATOM 217 H GLN A 32 55.544 -6.091 6.026 1.00 0.00 H ATOM 218 N SER A 33 57.221 -5.976 8.922 1.00 50.87 N ATOM 219 CA SER A 33 57.629 -5.777 10.279 1.00 51.81 C ATOM 220 C SER A 33 57.662 -7.033 11.075 1.00 48.85 C ATOM 221 O SER A 33 57.750 -6.980 12.279 1.00 56.40 O ATOM 222 CB SER A 33 56.671 -4.814 10.919 1.00 58.38 C ATOM 223 OG SER A 33 55.637 -4.516 10.011 1.00 64.04 O ATOM 224 HG SER A 33 55.160 -5.350 9.771 1.00 0.00 H ATOM 225 H SER A 33 56.208 -5.985 8.685 1.00 0.00 H ATOM 226 N ILE A 34 57.538 -8.163 10.408 1.00 48.21 N ATOM 227 CA ILE A 34 57.384 -9.432 11.078 1.00 43.83 C ATOM 228 C ILE A 34 58.650 -10.214 10.978 1.00 43.90 C ATOM 229 O ILE A 34 59.296 -10.147 9.983 1.00 51.17 O ATOM 230 CB ILE A 34 56.342 -10.260 10.363 1.00 42.71 C ATOM 231 CG1 ILE A 34 55.146 -9.415 9.998 1.00 41.80 C ATOM 232 CG2 ILE A 34 55.904 -11.388 11.236 1.00 44.67 C ATOM 233 CD1 ILE A 34 54.333 -9.005 11.179 1.00 49.08 C ATOM 234 H ILE A 34 57.552 -8.140 9.368 1.00 0.00 H ATOM 235 N SER A 35 59.012 -10.948 12.012 1.00 41.72 N ATOM 236 CA SER A 35 60.182 -11.786 11.973 1.00 42.93 C ATOM 237 C SER A 35 59.750 -13.150 11.634 1.00 42.95 C ATOM 238 O SER A 35 58.746 -13.603 12.098 1.00 43.26 O ATOM 239 CB SER A 35 60.829 -11.870 13.325 1.00 46.29 C ATOM 240 OG SER A 35 61.819 -12.875 13.344 1.00 50.66 O ATOM 241 HG SER A 35 62.232 -12.913 14.243 1.00 0.00 H ATOM 242 H SER A 35 58.437 -10.921 12.878 1.00 0.00 H ATOM 243 N PHE A 36 60.541 -13.823 10.837 1.00 40.93 N ATOM 244 CA PHE A 36 60.200 -15.142 10.415 1.00 37.99 C ATOM 245 C PHE A 36 61.107 -16.160 11.049 1.00 47.77 C ATOM 246 O PHE A 36 61.342 -17.207 10.489 1.00 50.72 O ATOM 247 CB PHE A 36 60.175 -15.239 8.918 1.00 32.16 C ATOM 248 CG PHE A 36 58.913 -14.724 8.306 1.00 32.71 C ATOM 249 CD1 PHE A 36 58.751 -13.416 8.041 1.00 36.98 C ATOM 250 CD2 PHE A 36 57.899 -15.559 8.008 1.00 31.00 C ATOM 251 CE1 PHE A 36 57.602 -12.955 7.474 1.00 31.94 C ATOM 252 CE2 PHE A 36 56.748 -15.110 7.445 1.00 26.14 C ATOM 253 CZ PHE A 36 56.596 -13.806 7.181 1.00 25.04 C ATOM 254 H PHE A 36 61.428 -13.391 10.508 1.00 0.00 H ATOM 255 N ASN A 37 61.528 -15.858 12.257 1.00 50.91 N ATOM 256 CA ASN A 37 62.476 -16.640 12.991 1.00 53.57 C ATOM 257 C ASN A 37 61.788 -17.059 14.266 1.00 53.45 C ATOM 258 O ASN A 37 60.814 -16.450 14.654 1.00 54.14 O ATOM 259 CB ASN A 37 63.670 -15.760 13.320 1.00 62.32 C ATOM 260 CG ASN A 37 64.499 -15.420 12.111 1.00 64.64 C ATOM 261 OD1 ASN A 37 64.024 -15.448 10.997 1.00 67.45 O ATOM 262 ND2 ASN A 37 65.749 -15.103 12.331 1.00 69.11 N ATOM 263 HD22 ASN A 37 66.119 -15.091 13.303 1.00 0.00 H ATOM 264 HD21 ASN A 37 66.373 -14.863 11.534 1.00 0.00 H ATOM 265 H ASN A 37 61.150 -15.000 12.706 1.00 0.00 H ATOM 266 N ARG A 38 62.260 -18.114 14.904 1.00 52.63 N ATOM 267 CA ARG A 38 61.666 -18.535 16.147 1.00 50.50 C ATOM 268 C ARG A 38 61.875 -17.448 17.146 1.00 58.33 C ATOM 269 O ARG A 38 62.903 -16.828 17.157 1.00 62.55 O ATOM 270 CB ARG A 38 62.350 -19.776 16.663 1.00 57.24 C ATOM 271 CG ARG A 38 61.915 -21.044 15.978 1.00 64.30 C ATOM 272 CD ARG A 38 61.908 -22.196 16.939 1.00 62.84 C ATOM 273 NE ARG A 38 60.548 -22.517 17.258 1.00 61.01 N ATOM 274 CZ ARG A 38 59.931 -23.593 16.817 1.00 67.34 C ATOM 275 NH1 ARG A 38 60.603 -24.439 16.061 1.00 74.97 N ATOM 276 NH2 ARG A 38 58.651 -23.821 17.133 1.00 75.65 N ATOM 277 HE ARG A 38 60.020 -21.864 17.871 1.00 0.00 H ATOM 278 HH12 ARG A 38 60.138 -25.296 15.700 1.00 0.00 H ATOM 279 HH11 ARG A 38 61.598 -24.249 15.826 1.00 0.00 H ATOM 280 HH22 ARG A 38 58.172 -24.674 16.780 1.00 0.00 H ATOM 281 HH21 ARG A 38 58.135 -23.145 17.732 1.00 0.00 H ATOM 282 H ARG A 38 63.063 -18.643 14.508 1.00 0.00 H ATOM 283 N GLU A 39 60.900 -17.222 18.001 1.00 58.91 N ATOM 284 CA GLU A 39 61.059 -16.292 19.075 1.00 58.83 C ATOM 285 C GLU A 39 60.615 -17.068 20.241 1.00 57.62 C ATOM 286 O GLU A 39 59.763 -17.914 20.118 1.00 58.25 O ATOM 287 CB GLU A 39 60.138 -15.106 18.908 1.00 68.89 C ATOM 288 CG GLU A 39 60.673 -14.063 17.949 1.00 86.24 C ATOM 289 CD GLU A 39 60.147 -12.673 18.219 1.00 94.75 C ATOM 290 OE1 GLU A 39 60.198 -11.844 17.296 1.00 99.33 O ATOM 291 OE2 GLU A 39 59.697 -12.404 19.346 1.00 94.76 O ATOM 292 H GLU A 39 59.998 -17.729 17.893 1.00 0.00 H ATOM 293 N LYS A 40 61.196 -16.784 21.385 1.00 62.92 N ATOM 294 CA LYS A 40 60.792 -17.422 22.596 1.00 54.85 C ATOM 295 C LYS A 40 60.134 -16.346 23.391 1.00 55.56 C ATOM 296 O LYS A 40 60.579 -15.217 23.401 1.00 52.58 O ATOM 297 CB LYS A 40 61.998 -17.941 23.327 1.00 52.55 C ATOM 298 CG LYS A 40 61.714 -19.052 24.304 1.00 66.59 C ATOM 299 CD LYS A 40 62.858 -19.185 25.296 1.00 77.74 C ATOM 300 CE LYS A 40 63.160 -17.860 25.983 1.00 82.98 C ATOM 301 NZ LYS A 40 64.610 -17.566 26.139 1.00 74.57 N ATOM 302 HZ1 LYS A 40 65.054 -18.313 26.710 1.00 0.00 H ATOM 303 HZ2 LYS A 40 65.058 -17.532 25.201 1.00 0.00 H ATOM 304 HZ3 LYS A 40 64.727 -16.649 26.614 1.00 0.00 H ATOM 305 H LYS A 40 61.963 -16.082 21.408 1.00 0.00 H ATOM 306 N LEU A 41 59.020 -16.686 24.002 1.00 48.95 N ATOM 307 CA LEU A 41 58.303 -15.748 24.860 1.00 45.35 C ATOM 308 C LEU A 41 57.819 -16.434 26.119 1.00 47.20 C ATOM 309 O LEU A 41 57.624 -17.657 26.122 1.00 46.66 O ATOM 310 CB LEU A 41 57.125 -15.140 24.120 1.00 44.61 C ATOM 311 CG LEU A 41 57.523 -14.343 22.888 1.00 51.54 C ATOM 312 CD1 LEU A 41 56.321 -14.132 22.016 1.00 36.63 C ATOM 313 CD2 LEU A 41 58.181 -13.021 23.274 1.00 54.88 C ATOM 314 H LEU A 41 58.641 -17.646 23.871 1.00 0.00 H ATOM 315 N PRO A 42 57.633 -15.642 27.154 1.00 43.53 N ATOM 316 CA PRO A 42 57.105 -16.075 28.436 1.00 43.41 C ATOM 317 C PRO A 42 55.619 -16.235 28.416 1.00 41.51 C ATOM 318 O PRO A 42 54.945 -15.525 27.742 1.00 48.39 O ATOM 319 CB PRO A 42 57.466 -14.926 29.339 1.00 46.31 C ATOM 320 CG PRO A 42 57.463 -13.759 28.460 1.00 43.03 C ATOM 321 CD PRO A 42 57.969 -14.223 27.151 1.00 42.77 C ATOM 322 N SER A 43 55.111 -17.160 29.187 1.00 37.18 N ATOM 323 CA SER A 43 53.706 -17.447 29.172 1.00 38.63 C ATOM 324 C SER A 43 52.868 -16.292 29.656 1.00 41.67 C ATOM 325 O SER A 43 51.708 -16.185 29.341 1.00 45.54 O ATOM 326 CB SER A 43 53.433 -18.677 29.965 1.00 37.87 C ATOM 327 OG SER A 43 52.520 -19.431 29.249 1.00 48.48 O ATOM 328 HG SER A 43 52.314 -20.260 29.749 1.00 0.00 H ATOM 329 H SER A 43 55.736 -17.697 29.822 1.00 0.00 H ATOM 330 N SER A 44 53.442 -15.469 30.497 1.00 40.54 N ATOM 331 CA SER A 44 52.719 -14.378 31.077 1.00 41.50 C ATOM 332 C SER A 44 52.297 -13.357 30.061 1.00 45.35 C ATOM 333 O SER A 44 51.378 -12.619 30.287 1.00 57.14 O ATOM 334 CB SER A 44 53.536 -13.741 32.176 1.00 49.89 C ATOM 335 OG SER A 44 54.772 -13.270 31.709 1.00 57.06 O ATOM 336 HG SER A 44 55.273 -12.862 32.459 1.00 0.00 H ATOM 337 H SER A 44 54.441 -15.610 30.748 1.00 0.00 H ATOM 338 N GLU A 45 52.998 -13.265 28.957 1.00 47.06 N ATOM 339 CA GLU A 45 52.733 -12.234 27.978 1.00 48.40 C ATOM 340 C GLU A 45 51.465 -12.462 27.215 1.00 46.31 C ATOM 341 O GLU A 45 50.959 -13.543 27.155 1.00 47.58 O ATOM 342 CB GLU A 45 53.879 -12.130 26.986 1.00 57.13 C ATOM 343 CG GLU A 45 54.958 -11.120 27.343 1.00 72.90 C ATOM 344 CD GLU A 45 54.450 -9.962 28.170 1.00 79.27 C ATOM 345 OE1 GLU A 45 53.623 -9.178 27.660 1.00 86.31 O ATOM 346 OE2 GLU A 45 54.877 -9.837 29.330 1.00 69.12 O ATOM 347 H GLU A 45 53.762 -13.949 28.781 1.00 0.00 H ATOM 348 N VAL A 46 50.940 -11.397 26.650 1.00 47.89 N ATOM 349 CA VAL A 46 49.812 -11.466 25.779 1.00 42.61 C ATOM 350 C VAL A 46 50.339 -10.974 24.473 1.00 46.98 C ATOM 351 O VAL A 46 50.860 -9.908 24.369 1.00 50.19 O ATOM 352 CB VAL A 46 48.709 -10.546 26.266 1.00 38.53 C ATOM 353 CG1 VAL A 46 47.661 -10.330 25.214 1.00 36.55 C ATOM 354 CG2 VAL A 46 48.072 -11.125 27.491 1.00 36.28 C ATOM 355 H VAL A 46 51.364 -10.468 26.846 1.00 0.00 H ATOM 356 N VAL A 47 50.175 -11.766 23.456 1.00 40.12 N ATOM 357 CA VAL A 47 50.658 -11.414 22.167 1.00 42.68 C ATOM 358 C VAL A 47 49.630 -10.693 21.344 1.00 35.93 C ATOM 359 O VAL A 47 48.558 -11.204 21.126 1.00 31.31 O ATOM 360 CB VAL A 47 51.058 -12.635 21.454 1.00 38.46 C ATOM 361 CG1 VAL A 47 51.892 -12.257 20.286 1.00 45.87 C ATOM 362 CG2 VAL A 47 51.823 -13.478 22.394 1.00 35.86 C ATOM 363 H VAL A 47 49.682 -12.672 23.588 1.00 0.00 H ATOM 364 N LYS A 48 49.954 -9.518 20.851 1.00 34.90 N ATOM 365 CA LYS A 48 48.986 -8.836 20.039 1.00 35.60 C ATOM 366 C LYS A 48 49.397 -8.758 18.587 1.00 36.22 C ATOM 367 O LYS A 48 50.572 -8.786 18.277 1.00 43.43 O ATOM 368 CB LYS A 48 48.754 -7.458 20.596 1.00 40.33 C ATOM 369 CG LYS A 48 48.538 -7.465 22.078 1.00 41.45 C ATOM 370 CD LYS A 48 47.739 -6.257 22.461 1.00 46.04 C ATOM 371 CE LYS A 48 47.637 -6.095 23.953 1.00 57.36 C ATOM 372 NZ LYS A 48 46.592 -5.070 24.243 1.00 65.31 N ATOM 373 HZ1 LYS A 48 46.862 -4.167 23.803 1.00 0.00 H ATOM 374 HZ2 LYS A 48 45.680 -5.387 23.855 1.00 0.00 H ATOM 375 HZ3 LYS A 48 46.507 -4.944 25.272 1.00 0.00 H ATOM 376 H LYS A 48 50.884 -9.095 21.044 1.00 0.00 H ATOM 377 N PHE A 49 48.402 -8.662 17.712 1.00 32.04 N ATOM 378 CA PHE A 49 48.583 -8.524 16.273 1.00 35.25 C ATOM 379 C PHE A 49 47.851 -7.320 15.718 1.00 38.07 C ATOM 380 O PHE A 49 46.644 -7.237 15.847 1.00 37.22 O ATOM 381 CB PHE A 49 48.072 -9.760 15.561 1.00 31.61 C ATOM 382 CG PHE A 49 48.805 -10.995 15.919 1.00 36.24 C ATOM 383 CD1 PHE A 49 48.584 -11.625 17.121 1.00 37.54 C ATOM 384 CD2 PHE A 49 49.728 -11.530 15.057 1.00 40.22 C ATOM 385 CE1 PHE A 49 49.271 -12.769 17.456 1.00 35.36 C ATOM 386 CE2 PHE A 49 50.419 -12.679 15.393 1.00 42.02 C ATOM 387 CZ PHE A 49 50.189 -13.292 16.593 1.00 37.08 C ATOM 388 H PHE A 49 47.429 -8.687 18.079 1.00 0.00 H ATOM 389 N GLY A 50 48.571 -6.393 15.124 1.00 41.55 N ATOM 390 CA GLY A 50 48.008 -5.109 14.819 1.00 42.12 C ATOM 391 C GLY A 50 48.644 -4.272 13.753 1.00 41.23 C ATOM 392 O GLY A 50 49.634 -4.616 13.182 1.00 46.88 O ATOM 393 H GLY A 50 49.560 -6.593 14.872 1.00 0.00 H ATOM 394 N ARG A 51 48.027 -3.153 13.480 1.00 46.74 N ATOM 395 CA ARG A 51 48.614 -2.133 12.674 1.00 47.96 C ATOM 396 C ARG A 51 49.382 -1.153 13.504 1.00 52.10 C ATOM 397 O ARG A 51 49.868 -0.197 12.977 1.00 64.06 O ATOM 398 CB ARG A 51 47.546 -1.355 11.953 1.00 44.69 C ATOM 399 CG ARG A 51 48.089 -0.388 10.950 1.00 50.40 C ATOM 400 CD ARG A 51 46.941 0.270 10.251 1.00 53.79 C ATOM 401 NE ARG A 51 46.246 1.100 11.197 1.00 53.98 N ATOM 402 CZ ARG A 51 44.961 1.333 11.167 1.00 49.47 C ATOM 403 NH1 ARG A 51 44.240 0.808 10.224 1.00 51.01 N ATOM 404 NH2 ARG A 51 44.418 2.100 12.076 1.00 55.26 N ATOM 405 HE ARG A 51 46.803 1.544 11.955 1.00 0.00 H ATOM 406 HH12 ARG A 51 43.216 0.987 10.191 1.00 0.00 H ATOM 407 HH11 ARG A 51 44.686 0.208 9.501 1.00 0.00 H ATOM 408 HH22 ARG A 51 43.395 2.287 12.055 1.00 0.00 H ATOM 409 HH21 ARG A 51 45.009 2.523 12.820 1.00 0.00 H ATOM 410 H ARG A 51 47.073 -3.000 13.865 1.00 0.00 H ATOM 411 N ASN A 52 49.455 -1.355 14.799 1.00 56.11 N ATOM 412 CA ASN A 52 50.110 -0.389 15.633 1.00 62.65 C ATOM 413 C ASN A 52 51.411 -0.895 16.140 1.00 68.10 C ATOM 414 O ASN A 52 51.475 -1.842 16.882 1.00 69.87 O ATOM 415 CB ASN A 52 49.250 -0.030 16.809 1.00 62.32 C ATOM 416 CG ASN A 52 49.518 1.345 17.292 1.00 69.17 C ATOM 417 OD1 ASN A 52 50.627 1.662 17.642 1.00 77.78 O ATOM 418 ND2 ASN A 52 48.517 2.179 17.285 1.00 65.56 N ATOM 419 HD22 ASN A 52 47.577 1.860 16.975 1.00 0.00 H ATOM 420 HD21 ASN A 52 48.658 3.163 17.590 1.00 0.00 H ATOM 421 H ASN A 52 49.040 -2.211 15.218 1.00 0.00 H ATOM 422 N SER A 53 52.460 -0.209 15.754 1.00 71.64 N ATOM 423 CA SER A 53 53.793 -0.616 16.070 1.00 71.44 C ATOM 424 C SER A 53 53.936 -0.614 17.560 1.00 73.62 C ATOM 425 O SER A 53 54.596 -1.446 18.133 1.00 67.71 O ATOM 426 CB SER A 53 54.727 0.360 15.416 1.00 76.94 C ATOM 427 OG SER A 53 54.025 1.015 14.380 1.00 77.09 O ATOM 428 HG SER A 53 53.714 0.346 13.720 1.00 0.00 H ATOM 429 H SER A 53 52.317 0.659 15.200 1.00 0.00 H ATOM 430 N ASN A 54 53.322 0.362 18.189 1.00 84.75 N ATOM 431 CA ASN A 54 53.186 0.363 19.622 1.00 88.99 C ATOM 432 C ASN A 54 52.230 -0.737 19.982 1.00 89.92 C ATOM 433 O ASN A 54 51.277 -0.982 19.273 1.00 87.16 O ATOM 434 CB ASN A 54 52.621 1.691 20.096 1.00 88.49 C ATOM 435 CG ASN A 54 53.649 2.790 20.088 1.00 92.20 C ATOM 436 OD1 ASN A 54 53.316 3.967 20.028 1.00 92.38 O ATOM 437 ND2 ASN A 54 54.911 2.410 20.158 1.00 89.18 N ATOM 438 HD22 ASN A 54 55.148 1.398 20.207 1.00 0.00 H ATOM 439 HD21 ASN A 54 55.669 3.122 20.164 1.00 0.00 H ATOM 440 H ASN A 54 52.926 1.151 17.640 1.00 0.00 H ATOM 441 N ILE A 55 52.512 -1.420 21.074 1.00 99.99 N ATOM 442 CA ILE A 55 51.627 -2.434 21.633 1.00101.82 C ATOM 443 C ILE A 55 51.205 -3.571 20.716 1.00 81.89 C ATOM 444 O ILE A 55 50.101 -4.054 20.805 1.00 77.57 O ATOM 445 CB ILE A 55 50.392 -1.818 22.295 1.00108.35 C ATOM 446 CG1 ILE A 55 49.444 -1.285 21.235 1.00 93.39 C ATOM 447 CG2 ILE A 55 50.813 -0.743 23.283 1.00104.39 C ATOM 448 CD1 ILE A 55 48.216 -2.133 21.071 1.00 89.84 C ATOM 449 H ILE A 55 53.410 -1.226 21.560 1.00 0.00 H ATOM 450 N CYS A 56 52.109 -4.014 19.864 1.00 76.84 N ATOM 451 CA CYS A 56 51.940 -5.248 19.155 1.00 62.10 C ATOM 452 C CYS A 56 53.273 -5.899 18.960 1.00 65.37 C ATOM 453 O CYS A 56 54.221 -5.257 18.572 1.00 72.11 O ATOM 454 CB CYS A 56 51.354 -4.985 17.805 1.00 59.39 C ATOM 455 SG CYS A 56 49.724 -4.286 17.869 1.00 61.44 S ATOM 456 H CYS A 56 52.969 -3.452 19.702 1.00 0.00 H ATOM 457 N HIS A 57 53.356 -7.178 19.238 1.00 62.02 N ATOM 458 CA HIS A 57 54.517 -7.923 18.904 1.00 60.83 C ATOM 459 C HIS A 57 54.628 -8.067 17.450 1.00 53.67 C ATOM 460 O HIS A 57 55.713 -7.997 16.908 1.00 55.37 O ATOM 461 CB HIS A 57 54.522 -9.231 19.641 1.00 61.49 C ATOM 462 CG HIS A 57 54.233 -9.070 21.094 1.00 72.45 C ATOM 463 ND1 HIS A 57 53.182 -8.377 21.538 1.00 80.37 N ATOM 464 CD2 HIS A 57 54.925 -9.488 22.209 1.00 85.91 C ATOM 465 CE1 HIS A 57 53.178 -8.375 22.868 1.00 85.45 C ATOM 466 NE2 HIS A 57 54.251 -9.052 23.282 1.00102.60 N ATOM 467 H HIS A 57 52.560 -7.653 19.710 1.00 0.00 H ATOM 468 N TYR A 58 53.509 -8.284 16.792 1.00 48.87 N ATOM 469 CA TYR A 58 53.519 -8.447 15.371 1.00 43.96 C ATOM 470 C TYR A 58 52.680 -7.401 14.714 1.00 43.83 C ATOM 471 O TYR A 58 51.549 -7.202 15.063 1.00 40.46 O ATOM 472 CB TYR A 58 52.982 -9.798 15.021 1.00 45.41 C ATOM 473 CG TYR A 58 53.710 -10.913 15.663 1.00 49.23 C ATOM 474 CD1 TYR A 58 54.796 -11.475 15.066 1.00 60.14 C ATOM 475 CD2 TYR A 58 53.305 -11.415 16.853 1.00 48.95 C ATOM 476 CE1 TYR A 58 55.472 -12.509 15.659 1.00 62.08 C ATOM 477 CE2 TYR A 58 53.971 -12.445 17.447 1.00 49.03 C ATOM 478 CZ TYR A 58 55.052 -12.978 16.845 1.00 53.96 C ATOM 479 OH TYR A 58 55.713 -13.993 17.436 1.00 55.72 O ATOM 480 HH TYR A 58 56.476 -14.265 16.866 1.00 0.00 H ATOM 481 H TYR A 58 52.609 -8.337 17.310 1.00 0.00 H ATOM 482 N THR A 59 53.257 -6.743 13.732 1.00 41.17 N ATOM 483 CA THR A 59 52.670 -5.577 13.153 1.00 42.75 C ATOM 484 C THR A 59 52.458 -5.779 11.698 1.00 43.67 C ATOM 485 O THR A 59 53.340 -6.225 11.022 1.00 45.91 O ATOM 486 CB THR A 59 53.633 -4.414 13.304 1.00 49.99 C ATOM 487 OG1 THR A 59 53.838 -4.164 14.680 1.00 54.24 O ATOM 488 CG2 THR A 59 53.079 -3.188 12.723 1.00 61.03 C ATOM 489 HG1 THR A 59 54.466 -3.406 14.787 1.00 0.00 H ATOM 490 H THR A 59 54.169 -7.083 13.366 1.00 0.00 H ATOM 491 N PHE A 60 51.281 -5.422 11.217 1.00 41.81 N ATOM 492 CA PHE A 60 50.992 -5.497 9.812 1.00 44.03 C ATOM 493 C PHE A 60 50.817 -4.097 9.266 1.00 52.10 C ATOM 494 O PHE A 60 50.071 -3.338 9.786 1.00 53.58 O ATOM 495 CB PHE A 60 49.761 -6.346 9.576 1.00 39.08 C ATOM 496 CG PHE A 60 49.884 -7.721 10.131 1.00 47.15 C ATOM 497 CD1 PHE A 60 50.490 -8.715 9.423 1.00 43.45 C ATOM 498 CD2 PHE A 60 49.429 -8.004 11.374 1.00 51.80 C ATOM 499 CE1 PHE A 60 50.628 -9.967 9.951 1.00 38.99 C ATOM 500 CE2 PHE A 60 49.565 -9.247 11.911 1.00 42.80 C ATOM 501 CZ PHE A 60 50.171 -10.228 11.202 1.00 38.08 C ATOM 502 H PHE A 60 50.547 -5.079 11.870 1.00 0.00 H ATOM 503 N GLN A 61 51.544 -3.751 8.226 1.00 56.04 N ATOM 504 CA GLN A 61 51.430 -2.457 7.625 1.00 52.95 C ATOM 505 C GLN A 61 50.299 -2.520 6.650 1.00 49.56 C ATOM 506 O GLN A 61 50.502 -2.597 5.473 1.00 52.74 O ATOM 507 CB GLN A 61 52.728 -2.112 6.921 1.00 52.71 C ATOM 508 CG GLN A 61 53.494 -0.984 7.550 1.00 63.81 C ATOM 509 CD GLN A 61 54.869 -1.392 7.981 1.00 70.05 C ATOM 510 OE1 GLN A 61 55.145 -1.537 9.161 1.00 78.49 O ATOM 511 NE2 GLN A 61 55.750 -1.559 7.025 1.00 71.27 N ATOM 512 HE22 GLN A 61 55.471 -1.425 6.032 1.00 0.00 H ATOM 513 HE21 GLN A 61 56.728 -1.825 7.259 1.00 0.00 H ATOM 514 H GLN A 61 52.219 -4.436 7.830 1.00 0.00 H ATOM 515 N ASP A 62 49.083 -2.517 7.148 1.00 48.99 N ATOM 516 CA ASP A 62 47.925 -2.494 6.281 1.00 50.71 C ATOM 517 C ASP A 62 46.933 -1.437 6.713 1.00 51.92 C ATOM 518 O ASP A 62 46.590 -1.335 7.854 1.00 50.68 O ATOM 519 CB ASP A 62 47.289 -3.858 6.284 1.00 46.38 C ATOM 520 CG ASP A 62 46.437 -4.097 5.107 1.00 47.31 C ATOM 521 OD1 ASP A 62 45.998 -3.141 4.490 1.00 53.13 O ATOM 522 OD2 ASP A 62 46.187 -5.253 4.807 1.00 40.18 O ATOM 523 H ASP A 62 48.951 -2.531 8.180 1.00 0.00 H ATOM 524 N LYS A 63 46.457 -0.644 5.788 1.00 53.91 N ATOM 525 CA LYS A 63 45.441 0.318 6.122 1.00 53.60 C ATOM 526 C LYS A 63 44.211 -0.394 6.686 1.00 54.92 C ATOM 527 O LYS A 63 43.490 0.162 7.508 1.00 58.83 O ATOM 528 CB LYS A 63 45.086 1.146 4.884 1.00 59.70 C ATOM 529 H LYS A 63 46.812 -0.709 4.813 1.00 0.00 H ATOM 530 N GLN A 64 43.985 -1.635 6.264 1.00 50.14 N ATOM 531 CA GLN A 64 42.756 -2.329 6.613 1.00 45.59 C ATOM 532 C GLN A 64 42.813 -3.165 7.879 1.00 47.65 C ATOM 533 O GLN A 64 41.773 -3.540 8.400 1.00 58.48 O ATOM 534 CB GLN A 64 42.296 -3.238 5.485 1.00 49.18 C ATOM 535 CG GLN A 64 42.483 -2.730 4.088 1.00 57.86 C ATOM 536 CD GLN A 64 41.485 -3.374 3.151 1.00 69.59 C ATOM 537 OE1 GLN A 64 40.558 -4.067 3.592 1.00 79.39 O ATOM 538 NE2 GLN A 64 41.671 -3.173 1.859 1.00 74.43 N ATOM 539 HE22 GLN A 64 42.463 -2.583 1.533 1.00 0.00 H ATOM 540 HE21 GLN A 64 41.025 -3.604 1.167 1.00 0.00 H ATOM 541 H GLN A 64 44.697 -2.115 5.677 1.00 0.00 H ATOM 542 N VAL A 65 43.987 -3.502 8.383 1.00 47.19 N ATOM 543 CA VAL A 65 43.999 -4.230 9.638 1.00 42.27 C ATOM 544 C VAL A 65 43.802 -3.252 10.765 1.00 44.65 C ATOM 545 O VAL A 65 44.459 -2.228 10.798 1.00 49.48 O ATOM 546 CB VAL A 65 45.290 -5.043 9.825 1.00 38.39 C ATOM 547 CG1 VAL A 65 46.438 -4.333 9.256 1.00 40.57 C ATOM 548 CG2 VAL A 65 45.545 -5.304 11.286 1.00 39.63 C ATOM 549 H VAL A 65 44.872 -3.254 7.897 1.00 0.00 H ATOM 550 N SER A 66 42.862 -3.550 11.657 1.00 47.06 N ATOM 551 CA SER A 66 42.565 -2.683 12.795 1.00 45.89 C ATOM 552 C SER A 66 43.817 -2.404 13.567 1.00 41.57 C ATOM 553 O SER A 66 44.753 -3.178 13.528 1.00 42.65 O ATOM 554 CB SER A 66 41.531 -3.301 13.723 1.00 39.35 C ATOM 555 OG SER A 66 40.381 -3.657 12.995 1.00 46.95 O ATOM 556 HG SER A 66 39.715 -4.058 13.608 1.00 0.00 H ATOM 557 H SER A 66 42.320 -4.430 11.541 1.00 0.00 H ATOM 558 N ARG A 67 43.833 -1.294 14.280 1.00 44.46 N ATOM 559 CA ARG A 67 45.052 -0.879 14.929 1.00 43.07 C ATOM 560 C ARG A 67 45.589 -1.993 15.775 1.00 44.32 C ATOM 561 O ARG A 67 46.779 -2.156 15.903 1.00 53.29 O ATOM 562 CB ARG A 67 44.815 0.368 15.757 1.00 49.55 C ATOM 563 CG ARG A 67 44.620 1.608 14.916 1.00 50.95 C ATOM 564 CD ARG A 67 44.290 2.761 15.806 1.00 61.80 C ATOM 565 NE ARG A 67 43.267 3.621 15.236 1.00 64.32 N ATOM 566 CZ ARG A 67 41.990 3.279 15.109 1.00 66.86 C ATOM 567 NH1 ARG A 67 41.572 2.077 15.484 1.00 66.33 N ATOM 568 NH2 ARG A 67 41.134 4.140 14.588 1.00 72.52 N ATOM 569 HE ARG A 67 43.553 4.565 14.906 1.00 0.00 H ATOM 570 HH12 ARG A 67 40.570 1.819 15.380 1.00 0.00 H ATOM 571 HH11 ARG A 67 42.247 1.393 15.882 1.00 0.00 H ATOM 572 HH22 ARG A 67 40.132 3.880 14.485 1.00 0.00 H ATOM 573 HH21 ARG A 67 41.462 5.078 14.281 1.00 0.00 H ATOM 574 H ARG A 67 42.970 -0.721 14.374 1.00 0.00 H ATOM 575 N VAL A 68 44.685 -2.714 16.421 1.00 47.43 N ATOM 576 CA VAL A 68 44.953 -3.978 17.090 1.00 41.74 C ATOM 577 C VAL A 68 43.941 -4.961 16.597 1.00 39.58 C ATOM 578 O VAL A 68 42.784 -4.679 16.672 1.00 40.02 O ATOM 579 CB VAL A 68 44.763 -3.869 18.583 1.00 41.26 C ATOM 580 CG1 VAL A 68 44.999 -5.198 19.237 1.00 42.02 C ATOM 581 CG2 VAL A 68 45.764 -2.903 19.124 1.00 58.19 C ATOM 582 H VAL A 68 43.711 -2.350 16.452 1.00 0.00 H ATOM 583 N GLN A 69 44.369 -6.108 16.109 1.00 32.03 N ATOM 584 CA GLN A 69 43.447 -6.999 15.457 1.00 28.15 C ATOM 585 C GLN A 69 42.954 -8.180 16.227 1.00 29.57 C ATOM 586 O GLN A 69 41.798 -8.477 16.194 1.00 32.86 O ATOM 587 CB GLN A 69 44.033 -7.480 14.162 1.00 27.29 C ATOM 588 CG GLN A 69 43.019 -8.076 13.245 1.00 24.78 C ATOM 589 CD GLN A 69 42.453 -7.061 12.332 1.00 31.05 C ATOM 590 OE1 GLN A 69 43.054 -6.061 12.080 1.00 33.80 O ATOM 591 NE2 GLN A 69 41.285 -7.298 11.859 1.00 37.25 N ATOM 592 HE22 GLN A 69 40.795 -8.182 12.103 1.00 0.00 H ATOM 593 HE21 GLN A 69 40.828 -6.606 11.231 1.00 0.00 H ATOM 594 H GLN A 69 45.372 -6.369 16.195 1.00 0.00 H ATOM 595 N PHE A 70 43.843 -8.893 16.879 1.00 25.67 N ATOM 596 CA PHE A 70 43.458 -9.990 17.696 1.00 22.15 C ATOM 597 C PHE A 70 44.594 -10.254 18.576 1.00 24.65 C ATOM 598 O PHE A 70 45.614 -9.727 18.362 1.00 27.05 O ATOM 599 CB PHE A 70 43.063 -11.191 16.885 1.00 21.75 C ATOM 600 CG PHE A 70 44.157 -11.821 16.103 1.00 26.57 C ATOM 601 CD1 PHE A 70 44.445 -11.401 14.858 1.00 26.81 C ATOM 602 CD2 PHE A 70 44.800 -12.901 16.577 1.00 29.04 C ATOM 603 CE1 PHE A 70 45.416 -12.006 14.133 1.00 28.60 C ATOM 604 CE2 PHE A 70 45.770 -13.510 15.866 1.00 27.05 C ATOM 605 CZ PHE A 70 46.070 -13.069 14.639 1.00 28.74 C ATOM 606 H PHE A 70 44.851 -8.650 16.796 1.00 0.00 H ATOM 607 N SER A 71 44.391 -11.025 19.617 1.00 23.44 N ATOM 608 CA SER A 71 45.460 -11.349 20.520 1.00 23.59 C ATOM 609 C SER A 71 45.356 -12.755 20.998 1.00 26.55 C ATOM 610 O SER A 71 44.304 -13.274 21.125 1.00 26.34 O ATOM 611 CB SER A 71 45.432 -10.427 21.708 1.00 24.93 C ATOM 612 OG SER A 71 44.450 -10.806 22.627 1.00 28.18 O ATOM 613 HG SER A 71 44.636 -11.724 22.947 1.00 0.00 H ATOM 614 H SER A 71 43.440 -11.408 19.792 1.00 0.00 H ATOM 615 N LEU A 72 46.499 -13.319 21.297 1.00 27.60 N ATOM 616 CA LEU A 72 46.717 -14.611 21.884 1.00 25.49 C ATOM 617 C LEU A 72 47.165 -14.519 23.299 1.00 27.86 C ATOM 618 O LEU A 72 47.765 -13.549 23.716 1.00 34.87 O ATOM 619 CB LEU A 72 47.742 -15.354 21.090 1.00 26.56 C ATOM 620 CG LEU A 72 47.022 -15.809 19.841 1.00 28.34 C ATOM 621 CD1 LEU A 72 47.960 -16.411 18.865 1.00 25.64 C ATOM 622 CD2 LEU A 72 46.012 -16.806 20.262 1.00 31.54 C ATOM 623 H LEU A 72 47.352 -12.764 21.084 1.00 0.00 H ATOM 624 N GLN A 73 46.921 -15.588 24.019 1.00 25.54 N ATOM 625 CA GLN A 73 47.035 -15.575 25.445 1.00 28.07 C ATOM 626 C GLN A 73 47.107 -17.017 25.804 1.00 27.77 C ATOM 627 O GLN A 73 46.312 -17.798 25.326 1.00 25.43 O ATOM 628 CB GLN A 73 45.825 -14.878 26.060 1.00 36.51 C ATOM 629 CG GLN A 73 45.794 -14.758 27.585 1.00 50.50 C ATOM 630 CD GLN A 73 44.560 -15.410 28.229 1.00 52.57 C ATOM 631 OE1 GLN A 73 44.240 -16.557 27.946 1.00 75.17 O ATOM 632 NE2 GLN A 73 43.859 -14.663 29.079 1.00 50.67 N ATOM 633 HE22 GLN A 73 44.165 -13.692 29.293 1.00 0.00 H ATOM 634 HE21 GLN A 73 43.005 -15.050 29.529 1.00 0.00 H ATOM 635 H GLN A 73 46.638 -16.467 23.541 1.00 0.00 H ATOM 636 N LEU A 74 48.089 -17.405 26.591 1.00 30.07 N ATOM 637 CA LEU A 74 48.172 -18.806 26.935 1.00 27.28 C ATOM 638 C LEU A 74 47.533 -19.074 28.242 1.00 28.67 C ATOM 639 O LEU A 74 47.347 -18.183 29.037 1.00 32.44 O ATOM 640 CB LEU A 74 49.591 -19.278 27.030 1.00 26.81 C ATOM 641 CG LEU A 74 50.377 -19.056 25.779 1.00 30.87 C ATOM 642 CD1 LEU A 74 51.106 -17.753 25.965 1.00 38.21 C ATOM 643 CD2 LEU A 74 51.315 -20.202 25.651 1.00 33.00 C ATOM 644 H LEU A 74 48.785 -16.723 26.954 1.00 0.00 H ATOM 645 N PHE A 75 47.293 -20.338 28.517 1.00 25.24 N ATOM 646 CA PHE A 75 46.811 -20.770 29.795 1.00 25.44 C ATOM 647 C PHE A 75 46.953 -22.245 29.799 1.00 26.44 C ATOM 648 O PHE A 75 47.526 -22.758 28.918 1.00 27.56 O ATOM 649 CB PHE A 75 45.380 -20.396 29.985 1.00 25.28 C ATOM 650 CG PHE A 75 44.469 -21.063 29.048 1.00 24.95 C ATOM 651 CD1 PHE A 75 44.362 -20.622 27.808 1.00 28.59 C ATOM 652 CD2 PHE A 75 43.719 -22.113 29.430 1.00 24.68 C ATOM 653 CE1 PHE A 75 43.523 -21.215 26.943 1.00 31.10 C ATOM 654 CE2 PHE A 75 42.883 -22.713 28.562 1.00 30.16 C ATOM 655 CZ PHE A 75 42.797 -22.274 27.312 1.00 29.65 C ATOM 656 H PHE A 75 47.460 -21.051 27.778 1.00 0.00 H ATOM 657 N LYS A 76 46.471 -22.923 30.817 1.00 28.54 N ATOM 658 CA LYS A 76 46.317 -24.351 30.738 1.00 28.93 C ATOM 659 C LYS A 76 44.968 -24.828 31.177 1.00 30.08 C ATOM 660 O LYS A 76 44.399 -24.299 32.078 1.00 32.21 O ATOM 661 CB LYS A 76 47.361 -25.098 31.517 1.00 28.83 C ATOM 662 CG LYS A 76 48.076 -24.324 32.551 1.00 36.81 C ATOM 663 CD LYS A 76 48.472 -25.235 33.684 1.00 49.56 C ATOM 664 CE LYS A 76 49.235 -26.434 33.205 1.00 37.18 C ATOM 665 NZ LYS A 76 49.484 -27.360 34.331 1.00 39.73 N ATOM 666 HZ1 LYS A 76 50.038 -26.872 35.064 1.00 0.00 H ATOM 667 HZ2 LYS A 76 48.575 -27.670 34.731 1.00 0.00 H ATOM 668 HZ3 LYS A 76 50.013 -28.187 33.988 1.00 0.00 H ATOM 669 H LYS A 76 46.199 -22.423 31.687 1.00 0.00 H ATOM 670 N LYS A 77 44.486 -25.889 30.568 1.00 30.50 N ATOM 671 CA LYS A 77 43.149 -26.334 30.810 1.00 33.66 C ATOM 672 C LYS A 77 43.221 -26.974 32.136 1.00 36.19 C ATOM 673 O LYS A 77 44.204 -26.856 32.787 1.00 40.77 O ATOM 674 CB LYS A 77 42.687 -27.317 29.766 1.00 33.58 C ATOM 675 CG LYS A 77 42.735 -26.777 28.375 1.00 31.46 C ATOM 676 CD LYS A 77 41.359 -26.585 27.809 1.00 35.08 C ATOM 677 CE LYS A 77 41.378 -26.898 26.330 1.00 45.99 C ATOM 678 NZ LYS A 77 41.636 -25.734 25.446 1.00 57.63 N ATOM 679 HZ1 LYS A 77 40.894 -25.019 25.590 1.00 0.00 H ATOM 680 HZ2 LYS A 77 42.564 -25.324 25.676 1.00 0.00 H ATOM 681 HZ3 LYS A 77 41.630 -26.046 24.454 1.00 0.00 H ATOM 682 H LYS A 77 45.087 -26.413 29.900 1.00 0.00 H ATOM 683 N PHE A 78 42.078 -27.348 32.647 1.00 32.87 N ATOM 684 CA PHE A 78 41.964 -27.710 34.024 1.00 41.30 C ATOM 685 C PHE A 78 42.582 -28.989 34.452 1.00 48.92 C ATOM 686 O PHE A 78 43.091 -29.095 35.561 1.00 62.02 O ATOM 687 CB PHE A 78 40.549 -27.585 34.521 1.00 47.61 C ATOM 688 CG PHE A 78 40.317 -26.350 35.314 1.00 50.03 C ATOM 689 CD1 PHE A 78 40.737 -26.264 36.598 1.00 48.04 C ATOM 690 CD2 PHE A 78 39.710 -25.273 34.754 1.00 54.92 C ATOM 691 CE1 PHE A 78 40.545 -25.126 37.318 1.00 46.88 C ATOM 692 CE2 PHE A 78 39.505 -24.132 35.463 1.00 48.21 C ATOM 693 CZ PHE A 78 39.927 -24.056 36.748 1.00 41.73 C ATOM 694 H PHE A 78 41.235 -27.383 32.039 1.00 0.00 H ATOM 695 N ASN A 79 42.474 -29.995 33.612 1.00 41.14 N ATOM 696 CA ASN A 79 43.057 -31.263 33.954 1.00 44.97 C ATOM 697 C ASN A 79 44.252 -31.542 33.118 1.00 49.64 C ATOM 698 O ASN A 79 44.715 -32.651 33.091 1.00 56.63 O ATOM 699 CB ASN A 79 42.045 -32.372 33.861 1.00 49.05 C ATOM 700 CG ASN A 79 41.106 -32.392 35.038 1.00 58.43 C ATOM 701 OD1 ASN A 79 39.993 -31.918 34.949 1.00 58.17 O ATOM 702 ND2 ASN A 79 41.549 -32.956 36.140 1.00 50.34 N ATOM 703 HD22 ASN A 79 42.511 -33.350 36.172 1.00 0.00 H ATOM 704 HD21 ASN A 79 40.937 -33.008 36.980 1.00 0.00 H ATOM 705 H ASN A 79 41.972 -29.874 32.709 1.00 0.00 H ATOM 706 N SER A 80 44.741 -30.525 32.428 1.00 43.31 N ATOM 707 CA SER A 80 45.813 -30.675 31.477 1.00 39.71 C ATOM 708 C SER A 80 47.096 -30.212 32.068 1.00 35.10 C ATOM 709 O SER A 80 47.094 -29.369 32.913 1.00 45.06 O ATOM 710 CB SER A 80 45.471 -29.955 30.180 1.00 38.49 C ATOM 711 OG SER A 80 46.502 -29.128 29.681 1.00 45.69 O ATOM 712 HG SER A 80 46.717 -28.431 30.350 1.00 0.00 H ATOM 713 H SER A 80 44.335 -29.579 32.578 1.00 0.00 H ATOM 714 N SER A 81 48.189 -30.789 31.604 1.00 33.91 N ATOM 715 CA SER A 81 49.507 -30.477 32.085 1.00 31.80 C ATOM 716 C SER A 81 50.290 -29.714 31.080 1.00 36.43 C ATOM 717 O SER A 81 51.477 -29.568 31.218 1.00 33.52 O ATOM 718 CB SER A 81 50.255 -31.739 32.413 1.00 38.06 C ATOM 719 OG SER A 81 49.519 -32.872 32.027 1.00 43.45 O ATOM 720 HG SER A 81 50.031 -33.689 32.253 1.00 0.00 H ATOM 721 H SER A 81 48.092 -31.503 30.855 1.00 0.00 H ATOM 722 N VAL A 82 49.617 -29.237 30.050 1.00 37.25 N ATOM 723 CA VAL A 82 50.250 -28.415 29.034 1.00 33.02 C ATOM 724 C VAL A 82 49.485 -27.160 28.752 1.00 32.61 C ATOM 725 O VAL A 82 48.320 -27.084 29.016 1.00 33.74 O ATOM 726 CB VAL A 82 50.373 -29.081 27.678 1.00 30.11 C ATOM 727 CG1 VAL A 82 51.807 -29.073 27.252 1.00 37.29 C ATOM 728 CG2 VAL A 82 49.732 -30.444 27.615 1.00 33.75 C ATOM 729 H VAL A 82 48.604 -29.456 29.963 1.00 0.00 H ATOM 730 N LEU A 83 50.190 -26.186 28.214 1.00 29.99 N ATOM 731 CA LEU A 83 49.667 -24.915 27.790 1.00 29.44 C ATOM 732 C LEU A 83 48.863 -24.904 26.539 1.00 30.22 C ATOM 733 O LEU A 83 49.223 -25.527 25.602 1.00 33.16 O ATOM 734 CB LEU A 83 50.817 -24.004 27.513 1.00 28.13 C ATOM 735 CG LEU A 83 51.788 -23.672 28.605 1.00 32.88 C ATOM 736 CD1 LEU A 83 53.013 -23.149 27.941 1.00 38.83 C ATOM 737 CD2 LEU A 83 51.259 -22.580 29.459 1.00 28.58 C ATOM 738 H LEU A 83 51.209 -26.350 28.085 1.00 0.00 H ATOM 739 N SER A 84 47.825 -24.088 26.507 1.00 27.84 N ATOM 740 CA SER A 84 46.956 -23.946 25.366 1.00 24.42 C ATOM 741 C SER A 84 46.844 -22.484 25.105 1.00 28.86 C ATOM 742 O SER A 84 47.275 -21.710 25.900 1.00 31.67 O ATOM 743 CB SER A 84 45.590 -24.519 25.641 1.00 25.08 C ATOM 744 OG SER A 84 45.694 -25.735 26.314 1.00 33.36 O ATOM 745 HG SER A 84 44.788 -26.095 26.485 1.00 0.00 H ATOM 746 H SER A 84 47.624 -23.516 27.352 1.00 0.00 H ATOM 747 N PHE A 85 46.326 -22.119 23.949 1.00 24.13 N ATOM 748 CA PHE A 85 46.194 -20.747 23.554 1.00 22.21 C ATOM 749 C PHE A 85 44.749 -20.375 23.421 1.00 26.63 C ATOM 750 O PHE A 85 43.927 -21.197 23.157 1.00 33.88 O ATOM 751 CB PHE A 85 46.818 -20.540 22.205 1.00 21.20 C ATOM 752 CG PHE A 85 48.275 -20.731 22.182 1.00 23.77 C ATOM 753 CD1 PHE A 85 48.798 -21.971 22.136 1.00 22.55 C ATOM 754 CD2 PHE A 85 49.109 -19.666 22.197 1.00 27.72 C ATOM 755 CE1 PHE A 85 50.138 -22.161 22.111 1.00 25.22 C ATOM 756 CE2 PHE A 85 50.445 -19.836 22.178 1.00 26.39 C ATOM 757 CZ PHE A 85 50.960 -21.092 22.129 1.00 26.26 C ATOM 758 H PHE A 85 45.999 -22.858 23.295 1.00 0.00 H ATOM 759 N GLU A 86 44.462 -19.106 23.620 1.00 28.17 N ATOM 760 CA GLU A 86 43.145 -18.548 23.522 1.00 26.67 C ATOM 761 C GLU A 86 43.266 -17.367 22.639 1.00 21.38 C ATOM 762 O GLU A 86 44.185 -16.615 22.791 1.00 25.70 O ATOM 763 CB GLU A 86 42.645 -18.154 24.880 1.00 32.58 C ATOM 764 CG GLU A 86 41.468 -17.263 24.853 1.00 34.49 C ATOM 765 CD GLU A 86 41.179 -16.689 26.224 1.00 48.07 C ATOM 766 OE1 GLU A 86 41.948 -15.809 26.689 1.00 56.92 O ATOM 767 OE2 GLU A 86 40.197 -17.147 26.852 1.00 51.06 O ATOM 768 H GLU A 86 45.243 -18.465 23.865 1.00 0.00 H ATOM 769 N ILE A 87 42.359 -17.167 21.716 1.00 19.76 N ATOM 770 CA ILE A 87 42.466 -16.070 20.791 1.00 18.40 C ATOM 771 C ILE A 87 41.297 -15.156 20.976 1.00 21.96 C ATOM 772 O ILE A 87 40.223 -15.619 21.063 1.00 23.35 O ATOM 773 CB ILE A 87 42.416 -16.614 19.377 1.00 19.67 C ATOM 774 CG1 ILE A 87 42.523 -15.529 18.349 1.00 18.71 C ATOM 775 CG2 ILE A 87 41.123 -17.329 19.136 1.00 16.46 C ATOM 776 CD1 ILE A 87 43.209 -16.002 17.118 1.00 17.33 C ATOM 777 H ILE A 87 41.546 -17.813 21.650 1.00 0.00 H ATOM 778 N LYS A 88 41.500 -13.862 21.050 1.00 21.42 N ATOM 779 CA LYS A 88 40.404 -12.937 21.242 1.00 20.93 C ATOM 780 C LYS A 88 40.441 -11.937 20.159 1.00 22.90 C ATOM 781 O LYS A 88 41.478 -11.543 19.740 1.00 29.22 O ATOM 782 CB LYS A 88 40.519 -12.253 22.581 1.00 20.31 C ATOM 783 CG LYS A 88 39.474 -11.221 22.857 1.00 21.99 C ATOM 784 CD LYS A 88 39.451 -10.947 24.321 1.00 28.55 C ATOM 785 CE LYS A 88 40.563 -10.008 24.676 1.00 34.64 C ATOM 786 NZ LYS A 88 40.495 -9.601 26.094 1.00 38.39 N ATOM 787 HZ1 LYS A 88 39.589 -9.122 26.273 1.00 0.00 H ATOM 788 HZ2 LYS A 88 40.569 -10.444 26.699 1.00 0.00 H ATOM 789 HZ3 LYS A 88 41.279 -8.951 26.305 1.00 0.00 H ATOM 790 H LYS A 88 42.469 -13.493 20.969 1.00 0.00 H ATOM 791 N ASN A 89 39.292 -11.567 19.658 1.00 22.16 N ATOM 792 CA ASN A 89 39.210 -10.555 18.647 1.00 22.34 C ATOM 793 C ASN A 89 39.239 -9.168 19.183 1.00 26.27 C ATOM 794 O ASN A 89 38.922 -8.966 20.301 1.00 32.14 O ATOM 795 CB ASN A 89 37.967 -10.733 17.845 1.00 21.87 C ATOM 796 CG ASN A 89 37.962 -9.909 16.625 1.00 28.45 C ATOM 797 OD1 ASN A 89 38.797 -9.074 16.430 1.00 31.34 O ATOM 798 ND2 ASN A 89 37.003 -10.119 15.817 1.00 28.03 N ATOM 799 HD22 ASN A 89 36.299 -10.855 16.026 1.00 0.00 H ATOM 800 HD21 ASN A 89 36.923 -9.554 14.947 1.00 0.00 H ATOM 801 H ASN A 89 38.419 -12.017 20.000 1.00 0.00 H HETATM 802 N MSE A 90 39.602 -8.192 18.386 1.00 27.14 N HETATM 803 CA MSE A 90 39.772 -6.877 18.928 1.00 38.32 C HETATM 804 C MSE A 90 39.435 -5.825 17.971 1.00 38.06 C HETATM 805 O MSE A 90 39.973 -4.744 18.090 1.00 40.15 O HETATM 806 CB MSE A 90 41.177 -6.744 19.449 1.00 33.15 C HETATM 807 CG MSE A 90 41.399 -7.888 20.392 1.00 45.80 C HETATM 808 SE MSE A 90 42.428 -7.247 21.863 1.00186.46 S HETATM 809 CE MSE A 90 40.951 -6.799 23.048 1.00 67.19 C HETATM 810 H MSE A 90 39.764 -8.370 17.374 1.00 0.00 H ATOM 811 N SER A 91 38.577 -6.111 17.023 1.00 33.02 N ATOM 812 CA SER A 91 38.355 -5.242 15.928 1.00 32.50 C ATOM 813 C SER A 91 36.875 -5.039 15.826 1.00 36.55 C ATOM 814 O SER A 91 36.152 -5.990 15.618 1.00 40.21 O ATOM 815 CB SER A 91 38.919 -5.869 14.677 1.00 31.55 C ATOM 816 OG SER A 91 38.514 -5.140 13.556 1.00 38.83 O ATOM 817 HG SER A 91 38.843 -4.209 13.633 1.00 0.00 H ATOM 818 H SER A 91 38.044 -7.002 17.077 1.00 0.00 H ATOM 819 N LYS A 92 36.399 -3.823 16.007 1.00 35.65 N ATOM 820 CA LYS A 92 34.991 -3.582 15.813 1.00 35.44 C ATOM 821 C LYS A 92 34.682 -3.817 14.360 1.00 37.84 C ATOM 822 O LYS A 92 33.661 -4.374 13.996 1.00 37.65 O ATOM 823 CB LYS A 92 34.639 -2.165 16.191 1.00 38.95 C ATOM 824 CG LYS A 92 35.542 -1.548 17.235 1.00 43.89 C ATOM 825 CD LYS A 92 35.190 -0.075 17.420 1.00 54.54 C ATOM 826 CE LYS A 92 35.871 0.561 18.634 1.00 55.74 C ATOM 827 NZ LYS A 92 37.340 0.774 18.477 1.00 56.74 N ATOM 828 HZ1 LYS A 92 37.806 -0.141 18.312 1.00 0.00 H ATOM 829 HZ2 LYS A 92 37.513 1.403 17.667 1.00 0.00 H ATOM 830 HZ3 LYS A 92 37.721 1.207 19.342 1.00 0.00 H ATOM 831 H LYS A 92 37.032 -3.047 16.287 1.00 0.00 H ATOM 832 N LYS A 93 35.603 -3.374 13.527 1.00 42.39 N ATOM 833 CA LYS A 93 35.435 -3.412 12.094 1.00 42.90 C ATOM 834 C LYS A 93 35.206 -4.823 11.572 1.00 43.57 C ATOM 835 O LYS A 93 34.095 -5.183 11.197 1.00 42.30 O ATOM 836 CB LYS A 93 36.668 -2.800 11.419 1.00 45.03 C ATOM 837 H LYS A 93 36.484 -2.982 13.917 1.00 0.00 H ATOM 838 N THR A 94 36.269 -5.619 11.574 1.00 44.06 N ATOM 839 CA THR A 94 36.280 -6.900 10.891 1.00 40.70 C ATOM 840 C THR A 94 36.230 -8.106 11.831 1.00 39.18 C ATOM 841 O THR A 94 36.845 -8.126 12.895 1.00 40.25 O ATOM 842 CB THR A 94 37.525 -7.009 10.005 1.00 46.57 C ATOM 843 OG1 THR A 94 38.697 -7.002 10.828 1.00 55.17 O ATOM 844 CG2 THR A 94 37.592 -5.821 9.026 1.00 53.37 C ATOM 845 HG1 THR A 94 38.666 -7.771 11.451 1.00 0.00 H ATOM 846 H THR A 94 37.123 -5.314 12.083 1.00 0.00 H ATOM 847 N ASN A 95 35.414 -9.095 11.496 1.00 37.49 N ATOM 848 CA ASN A 95 35.334 -10.313 12.284 1.00 32.84 C ATOM 849 C ASN A 95 36.503 -11.202 12.036 1.00 30.04 C ATOM 850 O ASN A 95 37.089 -11.147 10.997 1.00 32.82 O ATOM 851 CB ASN A 95 34.103 -11.125 11.974 1.00 35.94 C ATOM 852 CG ASN A 95 32.851 -10.351 12.104 1.00 39.36 C ATOM 853 OD1 ASN A 95 32.402 -10.065 13.184 1.00 46.81 O ATOM 854 ND2 ASN A 95 32.262 -10.033 10.993 1.00 46.35 N ATOM 855 HD22 ASN A 95 32.688 -10.302 10.083 1.00 0.00 H ATOM 856 HD21 ASN A 95 31.364 -9.509 11.012 1.00 0.00 H ATOM 857 H ASN A 95 34.817 -8.997 10.650 1.00 0.00 H ATOM 858 N LEU A 96 36.795 -12.059 12.994 1.00 28.34 N ATOM 859 CA LEU A 96 37.881 -12.989 12.945 1.00 24.05 C ATOM 860 C LEU A 96 37.193 -14.264 12.774 1.00 24.46 C ATOM 861 O LEU A 96 36.320 -14.553 13.505 1.00 29.02 O ATOM 862 CB LEU A 96 38.538 -13.025 14.300 1.00 20.35 C ATOM 863 CG LEU A 96 39.867 -13.642 14.611 1.00 17.58 C ATOM 864 CD1 LEU A 96 40.889 -13.085 13.684 1.00 16.05 C ATOM 865 CD2 LEU A 96 40.230 -13.272 16.004 1.00 18.30 C ATOM 866 H LEU A 96 36.195 -12.059 13.843 1.00 0.00 H ATOM 867 N ILE A 97 37.574 -15.035 11.787 1.00 25.66 N ATOM 868 CA ILE A 97 36.955 -16.290 11.532 1.00 24.02 C ATOM 869 C ILE A 97 37.962 -17.306 11.948 1.00 24.69 C ATOM 870 O ILE A 97 39.047 -17.278 11.499 1.00 28.10 O ATOM 871 CB ILE A 97 36.699 -16.452 10.040 1.00 26.32 C ATOM 872 CG1 ILE A 97 35.587 -15.573 9.546 1.00 22.60 C ATOM 873 CG2 ILE A 97 36.267 -17.849 9.722 1.00 35.15 C ATOM 874 CD1 ILE A 97 35.515 -14.229 10.189 1.00 28.26 C ATOM 875 H ILE A 97 38.351 -14.721 11.172 1.00 0.00 H ATOM 876 N VAL A 98 37.579 -18.215 12.817 1.00 31.54 N ATOM 877 CA VAL A 98 38.429 -19.307 13.172 1.00 27.71 C ATOM 878 C VAL A 98 37.766 -20.595 12.817 1.00 34.80 C ATOM 879 O VAL A 98 36.915 -21.046 13.507 1.00 37.04 O ATOM 880 CB VAL A 98 38.635 -19.310 14.654 1.00 27.39 C ATOM 881 CG1 VAL A 98 39.553 -20.426 15.036 1.00 33.79 C ATOM 882 CG2 VAL A 98 39.214 -17.997 15.087 1.00 30.48 C ATOM 883 H VAL A 98 36.639 -18.138 13.255 1.00 0.00 H ATOM 884 N ASP A 99 38.224 -21.233 11.758 1.00 42.40 N ATOM 885 CA ASP A 99 37.632 -22.473 11.325 1.00 42.66 C ATOM 886 C ASP A 99 36.151 -22.276 11.173 1.00 42.00 C ATOM 887 O ASP A 99 35.361 -22.936 11.804 1.00 44.41 O ATOM 888 CB ASP A 99 37.927 -23.565 12.339 1.00 42.54 C ATOM 889 CG ASP A 99 39.101 -24.398 11.973 1.00 51.58 C ATOM 890 OD1 ASP A 99 39.584 -24.284 10.848 1.00 50.83 O ATOM 891 OD2 ASP A 99 39.522 -25.198 12.811 1.00 52.63 O ATOM 892 H ASP A 99 39.025 -20.835 11.227 1.00 0.00 H ATOM 893 N SER A 100 35.746 -21.279 10.414 1.00 39.29 N ATOM 894 CA SER A 100 34.339 -21.101 10.046 1.00 44.69 C ATOM 895 C SER A 100 33.428 -20.452 11.050 1.00 40.74 C ATOM 896 O SER A 100 32.255 -20.336 10.795 1.00 43.50 O ATOM 897 CB SER A 100 33.689 -22.424 9.753 1.00 60.41 C ATOM 898 OG SER A 100 33.601 -23.138 10.977 1.00 71.79 O ATOM 899 HG SER A 100 34.510 -23.273 11.345 1.00 0.00 H ATOM 900 H SER A 100 36.448 -20.596 10.064 1.00 0.00 H ATOM 901 N ARG A 101 33.948 -20.067 12.188 1.00 40.23 N ATOM 902 CA ARG A 101 33.131 -19.517 13.213 1.00 36.70 C ATOM 903 C ARG A 101 33.601 -18.133 13.273 1.00 35.53 C ATOM 904 O ARG A 101 34.757 -17.937 13.283 1.00 34.87 O ATOM 905 CB ARG A 101 33.418 -20.244 14.497 1.00 41.09 C ATOM 906 CG ARG A 101 33.117 -19.472 15.743 1.00 44.10 C ATOM 907 CD ARG A 101 33.236 -20.354 16.946 1.00 52.20 C ATOM 908 NE ARG A 101 32.102 -20.142 17.811 1.00 51.51 N ATOM 909 CZ ARG A 101 32.094 -20.427 19.092 1.00 55.43 C ATOM 910 NH1 ARG A 101 33.153 -20.947 19.658 1.00 45.63 N ATOM 911 NH2 ARG A 101 31.015 -20.205 19.796 1.00 57.78 N ATOM 912 HE ARG A 101 31.238 -19.739 17.395 1.00 0.00 H ATOM 913 HH12 ARG A 101 33.143 -21.171 20.673 1.00 0.00 H ATOM 914 HH11 ARG A 101 34.005 -21.136 19.092 1.00 0.00 H ATOM 915 HH22 ARG A 101 31.002 -20.428 20.812 1.00 0.00 H ATOM 916 HH21 ARG A 101 30.170 -19.805 19.340 1.00 0.00 H ATOM 917 H ARG A 101 34.972 -20.165 12.344 1.00 0.00 H ATOM 918 N GLU A 102 32.707 -17.166 13.303 1.00 37.76 N ATOM 919 CA GLU A 102 33.106 -15.788 13.290 1.00 34.08 C ATOM 920 C GLU A 102 33.129 -15.229 14.680 1.00 33.86 C ATOM 921 O GLU A 102 32.251 -15.475 15.445 1.00 34.99 O ATOM 922 CB GLU A 102 32.172 -14.962 12.434 1.00 37.59 C ATOM 923 CG GLU A 102 31.291 -15.727 11.471 1.00 47.65 C ATOM 924 CD GLU A 102 30.683 -14.846 10.384 1.00 72.69 C ATOM 925 OE1 GLU A 102 30.227 -15.392 9.366 1.00 75.41 O ATOM 926 OE2 GLU A 102 30.655 -13.612 10.531 1.00 72.58 O ATOM 927 H GLU A 102 31.695 -17.405 13.337 1.00 0.00 H ATOM 928 N LEU A 103 34.165 -14.480 15.004 1.00 35.49 N ATOM 929 CA LEU A 103 34.285 -13.853 16.290 1.00 28.60 C ATOM 930 C LEU A 103 34.117 -12.359 16.127 1.00 27.74 C ATOM 931 O LEU A 103 34.855 -11.708 15.404 1.00 29.35 O ATOM 932 CB LEU A 103 35.631 -14.188 16.934 1.00 25.83 C ATOM 933 CG LEU A 103 36.039 -15.620 17.194 1.00 20.81 C ATOM 934 CD1 LEU A 103 37.113 -15.678 18.236 1.00 21.01 C ATOM 935 CD2 LEU A 103 34.789 -16.193 17.679 1.00 37.07 C ATOM 936 H LEU A 103 34.921 -14.339 14.304 1.00 0.00 H ATOM 937 N GLY A 104 33.124 -11.822 16.807 1.00 27.54 N ATOM 938 CA GLY A 104 32.909 -10.399 16.810 1.00 26.67 C ATOM 939 C GLY A 104 33.807 -9.725 17.803 1.00 22.84 C ATOM 940 O GLY A 104 34.629 -10.349 18.435 1.00 26.82 O ATOM 941 H GLY A 104 32.485 -12.437 17.351 1.00 0.00 H ATOM 942 N TYR A 105 33.623 -8.429 17.928 1.00 21.53 N ATOM 943 CA TYR A 105 34.427 -7.627 18.806 1.00 27.25 C ATOM 944 C TYR A 105 34.472 -8.217 20.189 1.00 27.13 C ATOM 945 O TYR A 105 33.469 -8.356 20.840 1.00 30.08 O ATOM 946 CB TYR A 105 33.886 -6.208 18.841 1.00 32.47 C ATOM 947 CG TYR A 105 34.723 -5.223 19.608 1.00 31.79 C ATOM 948 CD1 TYR A 105 36.091 -5.368 19.708 1.00 37.15 C ATOM 949 CD2 TYR A 105 34.144 -4.138 20.232 1.00 32.87 C ATOM 950 CE1 TYR A 105 36.860 -4.454 20.424 1.00 42.50 C ATOM 951 CE2 TYR A 105 34.895 -3.221 20.936 1.00 39.68 C ATOM 952 CZ TYR A 105 36.252 -3.379 21.033 1.00 42.86 C ATOM 953 OH TYR A 105 37.004 -2.461 21.744 1.00 46.47 O ATOM 954 HH TYR A 105 37.958 -2.723 21.713 1.00 0.00 H ATOM 955 H TYR A 105 32.872 -7.971 17.374 1.00 0.00 H ATOM 956 N LEU A 106 35.667 -8.589 20.603 1.00 24.64 N ATOM 957 CA LEU A 106 35.933 -9.064 21.936 1.00 23.30 C ATOM 958 C LEU A 106 35.356 -10.418 22.216 1.00 25.49 C ATOM 959 O LEU A 106 35.366 -10.860 23.347 1.00 31.70 O ATOM 960 CB LEU A 106 35.418 -8.079 22.957 1.00 26.23 C ATOM 961 CG LEU A 106 36.141 -6.765 22.816 1.00 24.63 C ATOM 962 CD1 LEU A 106 35.710 -5.867 23.876 1.00 28.22 C ATOM 963 CD2 LEU A 106 37.573 -7.000 22.951 1.00 25.34 C ATOM 964 H LEU A 106 36.459 -8.537 19.931 1.00 0.00 H ATOM 965 N ASN A 107 34.849 -11.095 21.204 1.00 26.71 N ATOM 966 CA ASN A 107 34.592 -12.502 21.400 1.00 28.17 C ATOM 967 C ASN A 107 35.894 -13.224 21.493 1.00 25.59 C ATOM 968 O ASN A 107 36.864 -12.791 20.898 1.00 28.26 O ATOM 969 CB ASN A 107 33.795 -13.077 20.275 1.00 26.38 C ATOM 970 CG ASN A 107 32.446 -12.559 20.247 1.00 28.04 C ATOM 971 OD1 ASN A 107 31.797 -12.619 19.238 1.00 32.27 O ATOM 972 ND2 ASN A 107 32.002 -12.003 21.344 1.00 33.18 N ATOM 973 HD22 ASN A 107 32.602 -11.976 22.193 1.00 0.00 H ATOM 974 HD21 ASN A 107 31.049 -11.588 21.368 1.00 0.00 H ATOM 975 H ASN A 107 34.642 -10.631 20.296 1.00 0.00 H ATOM 976 N LYS A 108 35.929 -14.333 22.210 1.00 21.24 N ATOM 977 CA LYS A 108 37.152 -15.101 22.266 1.00 21.22 C ATOM 978 C LYS A 108 36.884 -16.582 22.236 1.00 23.86 C ATOM 979 O LYS A 108 35.776 -17.000 22.460 1.00 29.37 O ATOM 980 CB LYS A 108 37.910 -14.759 23.514 1.00 21.31 C ATOM 981 CG LYS A 108 37.331 -15.460 24.670 1.00 24.95 C ATOM 982 CD LYS A 108 37.783 -14.921 25.996 1.00 30.33 C ATOM 983 CE LYS A 108 37.001 -15.650 27.063 1.00 33.79 C ATOM 984 NZ LYS A 108 37.746 -15.714 28.318 1.00 45.31 N ATOM 985 HZ1 LYS A 108 38.642 -16.218 28.162 1.00 0.00 H ATOM 986 HZ2 LYS A 108 37.943 -14.749 28.653 1.00 0.00 H ATOM 987 HZ3 LYS A 108 37.181 -16.221 29.029 1.00 0.00 H ATOM 988 H LYS A 108 35.085 -14.650 22.729 1.00 0.00 H HETATM 989 N MSE A 109 37.891 -17.392 21.951 1.00 26.89 N HETATM 990 CA MSE A 109 37.747 -18.816 22.179 1.00 31.86 C HETATM 991 C MSE A 109 39.049 -19.537 22.308 1.00 30.54 C HETATM 992 O MSE A 109 40.109 -19.016 22.040 1.00 28.52 O HETATM 993 CB MSE A 109 36.987 -19.500 21.069 1.00 33.95 C HETATM 994 CG MSE A 109 37.802 -19.723 19.832 1.00 34.43 C HETATM 995 SE MSE A 109 36.793 -20.598 18.431 1.00 74.67 S HETATM 996 CE MSE A 109 36.317 -19.070 17.442 1.00 70.45 C HETATM 997 H MSE A 109 38.779 -17.010 21.567 1.00 0.00 H ATOM 998 N ASP A 110 38.934 -20.788 22.697 1.00 32.89 N ATOM 999 CA ASP A 110 40.085 -21.622 22.878 1.00 33.01 C ATOM 1000 C ASP A 110 40.485 -22.147 21.551 1.00 30.81 C ATOM 1001 O ASP A 110 39.653 -22.605 20.789 1.00 28.62 O ATOM 1002 CB ASP A 110 39.775 -22.773 23.826 1.00 40.10 C ATOM 1003 CG ASP A 110 39.593 -22.317 25.273 1.00 52.47 C ATOM 1004 OD1 ASP A 110 39.506 -21.089 25.519 1.00 46.53 O ATOM 1005 OD2 ASP A 110 39.534 -23.196 26.166 1.00 57.80 O ATOM 1006 H ASP A 110 37.988 -21.180 22.877 1.00 0.00 H ATOM 1007 N LEU A 111 41.774 -22.115 21.296 1.00 28.91 N ATOM 1008 CA LEU A 111 42.319 -22.572 20.041 1.00 25.20 C ATOM 1009 C LEU A 111 42.474 -24.087 19.921 1.00 26.73 C ATOM 1010 O LEU A 111 43.025 -24.732 20.791 1.00 28.21 O ATOM 1011 CB LEU A 111 43.668 -21.914 19.856 1.00 24.24 C ATOM 1012 CG LEU A 111 43.942 -21.271 18.519 1.00 24.92 C ATOM 1013 CD1 LEU A 111 42.699 -20.639 18.064 1.00 26.30 C ATOM 1014 CD2 LEU A 111 44.941 -20.209 18.769 1.00 25.70 C ATOM 1015 H LEU A 111 42.422 -21.748 22.022 1.00 0.00 H ATOM 1016 N PRO A 112 42.110 -24.623 18.786 1.00 23.16 N ATOM 1017 CA PRO A 112 42.391 -25.999 18.491 1.00 22.31 C ATOM 1018 C PRO A 112 43.859 -26.143 18.288 1.00 28.64 C ATOM 1019 O PRO A 112 44.546 -25.157 18.181 1.00 30.07 O ATOM 1020 CB PRO A 112 41.696 -26.200 17.175 1.00 22.36 C ATOM 1021 CG PRO A 112 40.610 -25.243 17.188 1.00 23.10 C ATOM 1022 CD PRO A 112 41.218 -24.051 17.791 1.00 25.79 C ATOM 1023 N TYR A 113 44.359 -27.360 18.300 1.00 27.49 N ATOM 1024 CA TYR A 113 45.759 -27.557 18.096 1.00 28.25 C ATOM 1025 C TYR A 113 46.082 -27.038 16.736 1.00 29.77 C ATOM 1026 O TYR A 113 47.124 -26.521 16.540 1.00 30.64 O ATOM 1027 CB TYR A 113 46.127 -28.994 18.203 1.00 33.75 C ATOM 1028 CG TYR A 113 46.477 -29.414 19.577 1.00 34.76 C ATOM 1029 CD1 TYR A 113 45.604 -29.252 20.599 1.00 40.94 C ATOM 1030 CD2 TYR A 113 47.667 -29.997 19.841 1.00 34.29 C ATOM 1031 CE1 TYR A 113 45.921 -29.648 21.865 1.00 43.20 C ATOM 1032 CE2 TYR A 113 47.986 -30.391 21.094 1.00 36.19 C ATOM 1033 CZ TYR A 113 47.104 -30.219 22.099 1.00 40.53 C ATOM 1034 OH TYR A 113 47.430 -30.605 23.354 1.00 40.85 O ATOM 1035 HH TYR A 113 48.234 -30.111 23.652 1.00 0.00 H ATOM 1036 H TYR A 113 43.736 -28.177 18.458 1.00 0.00 H ATOM 1037 N ARG A 114 45.205 -27.223 15.772 1.00 32.36 N ATOM 1038 CA ARG A 114 45.406 -26.684 14.457 1.00 24.35 C ATOM 1039 C ARG A 114 44.156 -26.065 13.948 1.00 26.64 C ATOM 1040 O ARG A 114 43.123 -26.614 14.105 1.00 30.25 O ATOM 1041 CB ARG A 114 45.752 -27.801 13.549 1.00 22.71 C ATOM 1042 CG ARG A 114 46.710 -28.791 14.127 1.00 28.42 C ATOM 1043 CD ARG A 114 47.105 -29.695 13.018 1.00 32.53 C ATOM 1044 NE ARG A 114 48.521 -29.708 12.769 1.00 37.31 N ATOM 1045 CZ ARG A 114 49.383 -30.407 13.469 1.00 42.72 C ATOM 1046 NH1 ARG A 114 48.979 -31.121 14.481 1.00 42.01 N ATOM 1047 NH2 ARG A 114 50.650 -30.375 13.169 1.00 49.96 N ATOM 1048 HE ARG A 114 48.884 -29.128 11.986 1.00 0.00 H ATOM 1049 HH12 ARG A 114 49.665 -31.674 15.034 1.00 0.00 H ATOM 1050 HH11 ARG A 114 47.971 -31.138 14.736 1.00 0.00 H ATOM 1051 HH22 ARG A 114 51.330 -30.930 13.726 1.00 0.00 H ATOM 1052 HH21 ARG A 114 50.981 -29.794 12.372 1.00 0.00 H ATOM 1053 H ARG A 114 44.345 -27.774 15.968 1.00 0.00 H ATOM 1054 N CYS A 115 44.249 -24.911 13.317 1.00 21.64 N ATOM 1055 CA CYS A 115 43.098 -24.213 12.799 1.00 25.11 C ATOM 1056 C CYS A 115 43.454 -23.232 11.732 1.00 24.04 C ATOM 1057 O CYS A 115 44.588 -23.031 11.481 1.00 27.20 O ATOM 1058 CB CYS A 115 42.369 -23.481 13.879 1.00 28.81 C ATOM 1059 SG CYS A 115 43.436 -22.579 14.942 1.00 39.77 S ATOM 1060 H CYS A 115 45.190 -24.487 13.188 1.00 0.00 H HETATM 1061 N MSE A 116 42.462 -22.648 11.081 1.00 25.17 N HETATM 1062 CA MSE A 116 42.666 -21.572 10.157 1.00 27.44 C HETATM 1063 C MSE A 116 42.172 -20.404 10.904 1.00 27.86 C HETATM 1064 O MSE A 116 41.069 -20.453 11.380 1.00 29.04 O HETATM 1065 CB MSE A 116 41.663 -21.612 9.022 1.00 36.39 C HETATM 1066 CG MSE A 116 42.138 -21.921 7.622 1.00 63.67 C HETATM 1067 SE MSE A 116 43.459 -20.639 7.037 1.00177.80 S HETATM 1068 CE MSE A 116 44.830 -21.990 6.870 1.00 61.66 C HETATM 1069 H MSE A 116 41.492 -22.984 11.247 1.00 0.00 H ATOM 1070 N VAL A 117 42.937 -19.344 11.009 1.00 23.08 N ATOM 1071 CA VAL A 117 42.443 -18.107 11.524 1.00 24.12 C ATOM 1072 C VAL A 117 42.496 -17.164 10.370 1.00 24.50 C ATOM 1073 O VAL A 117 43.444 -17.138 9.672 1.00 28.52 O ATOM 1074 CB VAL A 117 43.341 -17.578 12.609 1.00 18.06 C ATOM 1075 CG1 VAL A 117 42.788 -16.292 13.145 1.00 20.49 C ATOM 1076 CG2 VAL A 117 43.443 -18.578 13.710 1.00 17.60 C ATOM 1077 H VAL A 117 43.931 -19.406 10.709 1.00 0.00 H ATOM 1078 N ARG A 118 41.445 -16.418 10.152 1.00 23.04 N ATOM 1079 CA ARG A 118 41.326 -15.609 8.983 1.00 22.32 C ATOM 1080 C ARG A 118 40.740 -14.253 9.297 1.00 22.93 C ATOM 1081 O ARG A 118 39.959 -14.126 10.166 1.00 24.20 O ATOM 1082 CB ARG A 118 40.399 -16.330 8.059 1.00 22.72 C ATOM 1083 CG ARG A 118 40.514 -15.896 6.647 1.00 33.30 C ATOM 1084 CD ARG A 118 40.271 -17.086 5.792 1.00 38.88 C ATOM 1085 NE ARG A 118 39.004 -17.672 6.113 1.00 42.15 N ATOM 1086 CZ ARG A 118 37.983 -17.684 5.286 1.00 45.35 C ATOM 1087 NH1 ARG A 118 38.092 -17.134 4.105 1.00 42.65 N ATOM 1088 NH2 ARG A 118 36.866 -18.259 5.645 1.00 47.80 N ATOM 1089 HE ARG A 118 38.886 -18.110 7.049 1.00 0.00 H ATOM 1090 HH12 ARG A 118 37.284 -17.143 3.450 1.00 0.00 H ATOM 1091 HH11 ARG A 118 38.987 -16.687 3.820 1.00 0.00 H ATOM 1092 HH22 ARG A 118 36.055 -18.271 4.994 1.00 0.00 H ATOM 1093 HH21 ARG A 118 36.788 -18.704 6.582 1.00 0.00 H ATOM 1094 H ARG A 118 40.674 -16.414 10.850 1.00 0.00 H ATOM 1095 N PHE A 119 41.143 -13.226 8.590 1.00 22.40 N ATOM 1096 CA PHE A 119 40.460 -11.956 8.701 1.00 24.03 C ATOM 1097 C PHE A 119 40.828 -11.092 7.549 1.00 25.39 C ATOM 1098 O PHE A 119 41.991 -10.989 7.222 1.00 28.30 O ATOM 1099 CB PHE A 119 40.787 -11.248 9.997 1.00 23.94 C ATOM 1100 CG PHE A 119 42.198 -10.830 10.134 1.00 21.52 C ATOM 1101 CD1 PHE A 119 42.615 -9.599 9.699 1.00 24.64 C ATOM 1102 CD2 PHE A 119 43.103 -11.638 10.777 1.00 23.20 C ATOM 1103 CE1 PHE A 119 43.933 -9.205 9.852 1.00 24.19 C ATOM 1104 CE2 PHE A 119 44.418 -11.248 10.936 1.00 25.08 C ATOM 1105 CZ PHE A 119 44.829 -10.028 10.465 1.00 25.59 C ATOM 1106 H PHE A 119 41.955 -13.324 7.948 1.00 0.00 H ATOM 1107 N GLY A 120 39.843 -10.475 6.921 1.00 22.21 N ATOM 1108 CA GLY A 120 40.121 -9.745 5.716 1.00 24.38 C ATOM 1109 C GLY A 120 40.732 -10.743 4.789 1.00 29.26 C ATOM 1110 O GLY A 120 40.319 -11.881 4.779 1.00 31.40 O ATOM 1111 H GLY A 120 38.874 -10.518 7.296 1.00 0.00 H ATOM 1112 N GLU A 121 41.761 -10.355 4.063 1.00 31.52 N ATOM 1113 CA GLU A 121 42.330 -11.269 3.111 1.00 28.21 C ATOM 1114 C GLU A 121 43.481 -12.030 3.697 1.00 26.47 C ATOM 1115 O GLU A 121 44.084 -12.846 3.030 1.00 29.60 O ATOM 1116 CB GLU A 121 42.765 -10.532 1.868 1.00 30.85 C ATOM 1117 CG GLU A 121 41.685 -9.659 1.272 1.00 42.20 C ATOM 1118 CD GLU A 121 40.975 -10.363 0.116 1.00 71.85 C ATOM 1119 OE1 GLU A 121 40.694 -11.583 0.261 1.00 75.56 O ATOM 1120 OE2 GLU A 121 40.689 -9.714 -0.923 1.00 86.26 O ATOM 1121 H GLU A 121 42.156 -9.400 4.177 1.00 0.00 H ATOM 1122 N TYR A 122 43.756 -11.789 4.963 1.00 26.89 N ATOM 1123 CA TYR A 122 44.766 -12.544 5.660 1.00 22.53 C ATOM 1124 C TYR A 122 44.350 -13.948 5.888 1.00 20.76 C ATOM 1125 O TYR A 122 43.169 -14.245 5.969 1.00 23.49 O ATOM 1126 CB TYR A 122 45.082 -11.912 6.986 1.00 19.68 C ATOM 1127 CG TYR A 122 45.813 -10.644 6.780 1.00 22.10 C ATOM 1128 CD1 TYR A 122 45.157 -9.539 6.333 1.00 29.05 C ATOM 1129 CD2 TYR A 122 47.170 -10.555 6.987 1.00 23.81 C ATOM 1130 CE1 TYR A 122 45.816 -8.367 6.114 1.00 34.75 C ATOM 1131 CE2 TYR A 122 47.845 -9.385 6.768 1.00 29.91 C ATOM 1132 CZ TYR A 122 47.156 -8.293 6.327 1.00 32.54 C ATOM 1133 OH TYR A 122 47.782 -7.099 6.096 1.00 33.61 O ATOM 1134 HH TYR A 122 47.118 -6.435 5.783 1.00 0.00 H ATOM 1135 H TYR A 122 43.236 -11.042 5.467 1.00 0.00 H ATOM 1136 N GLN A 123 45.356 -14.801 5.980 1.00 20.34 N ATOM 1137 CA GLN A 123 45.211 -16.202 6.306 1.00 20.83 C ATOM 1138 C GLN A 123 46.319 -16.685 7.173 1.00 22.35 C ATOM 1139 O GLN A 123 47.491 -16.590 6.840 1.00 22.97 O ATOM 1140 CB GLN A 123 45.222 -17.054 5.079 1.00 17.05 C ATOM 1141 CG GLN A 123 44.027 -16.922 4.274 1.00 22.41 C ATOM 1142 CD GLN A 123 44.172 -17.697 3.026 1.00 27.74 C ATOM 1143 OE1 GLN A 123 45.067 -18.523 2.928 1.00 27.59 O ATOM 1144 NE2 GLN A 123 43.310 -17.441 2.048 1.00 31.42 N ATOM 1145 HE22 GLN A 123 42.566 -16.727 2.184 1.00 0.00 H ATOM 1146 HE21 GLN A 123 43.379 -17.955 1.146 1.00 0.00 H ATOM 1147 H GLN A 123 46.316 -14.440 5.806 1.00 0.00 H ATOM 1148 N PHE A 124 45.949 -17.271 8.277 1.00 23.68 N ATOM 1149 CA PHE A 124 46.932 -17.785 9.177 1.00 21.57 C ATOM 1150 C PHE A 124 46.694 -19.220 9.470 1.00 21.99 C ATOM 1151 O PHE A 124 45.658 -19.563 9.971 1.00 28.92 O ATOM 1152 CB PHE A 124 46.871 -17.063 10.466 1.00 20.77 C ATOM 1153 CG PHE A 124 47.228 -15.660 10.397 1.00 26.88 C ATOM 1154 CD1 PHE A 124 46.345 -14.717 9.904 1.00 27.89 C ATOM 1155 CD2 PHE A 124 48.431 -15.247 10.932 1.00 28.84 C ATOM 1156 CE1 PHE A 124 46.697 -13.368 9.899 1.00 35.55 C ATOM 1157 CE2 PHE A 124 48.794 -13.932 10.935 1.00 31.82 C ATOM 1158 CZ PHE A 124 47.929 -12.981 10.421 1.00 33.95 C ATOM 1159 H PHE A 124 44.938 -17.364 8.503 1.00 0.00 H ATOM 1160 N LEU A 125 47.637 -20.080 9.198 1.00 20.22 N ATOM 1161 CA LEU A 125 47.388 -21.434 9.551 1.00 20.91 C ATOM 1162 C LEU A 125 48.235 -21.701 10.711 1.00 28.29 C ATOM 1163 O LEU A 125 49.443 -21.540 10.633 1.00 30.29 O ATOM 1164 CB LEU A 125 47.725 -22.383 8.437 1.00 22.41 C ATOM 1165 CG LEU A 125 47.917 -23.799 8.968 1.00 31.37 C ATOM 1166 CD1 LEU A 125 46.699 -24.333 9.757 1.00 32.25 C ATOM 1167 CD2 LEU A 125 48.298 -24.703 7.824 1.00 30.67 C ATOM 1168 H LEU A 125 48.527 -19.789 8.745 1.00 0.00 H HETATM 1169 N MSE A 126 47.629 -22.181 11.791 1.00 29.10 N HETATM 1170 CA MSE A 126 48.284 -22.351 13.067 1.00 30.70 C HETATM 1171 C MSE A 126 48.315 -23.753 13.468 1.00 31.09 C HETATM 1172 O MSE A 126 47.428 -24.487 13.133 1.00 34.99 O HETATM 1173 CB MSE A 126 47.471 -21.806 14.193 1.00 32.09 C HETATM 1174 CG MSE A 126 46.843 -20.500 13.790 1.00 38.47 C HETATM 1175 SE MSE A 126 47.330 -19.138 15.043 1.00 72.00 S HETATM 1176 CE MSE A 126 47.500 -17.655 13.844 1.00 54.90 C HETATM 1177 H MSE A 126 46.627 -22.449 11.714 1.00 0.00 H ATOM 1178 N GLU A 127 49.342 -24.138 14.187 1.00 30.11 N ATOM 1179 CA GLU A 127 49.612 -25.495 14.506 1.00 28.68 C ATOM 1180 C GLU A 127 50.482 -25.441 15.716 1.00 28.68 C ATOM 1181 O GLU A 127 51.518 -24.811 15.701 1.00 29.43 O ATOM 1182 CB GLU A 127 50.304 -26.193 13.351 1.00 35.34 C ATOM 1183 CG GLU A 127 49.421 -26.412 12.121 1.00 48.04 C ATOM 1184 CD GLU A 127 50.157 -27.106 10.954 1.00 57.84 C ATOM 1185 OE1 GLU A 127 51.174 -26.554 10.459 1.00 72.43 O ATOM 1186 OE2 GLU A 127 49.705 -28.195 10.532 1.00 51.17 O ATOM 1187 H GLU A 127 49.994 -23.410 14.543 1.00 0.00 H ATOM 1188 N LYS A 128 50.019 -26.073 16.778 1.00 30.70 N ATOM 1189 CA LYS A 128 50.702 -26.061 18.036 1.00 31.44 C ATOM 1190 C LYS A 128 51.375 -27.382 18.223 1.00 34.80 C ATOM 1191 O LYS A 128 50.799 -28.406 17.870 1.00 40.40 O ATOM 1192 CB LYS A 128 49.708 -25.805 19.148 1.00 28.07 C ATOM 1193 CG LYS A 128 50.188 -26.190 20.506 1.00 26.23 C ATOM 1194 CD LYS A 128 49.225 -25.710 21.527 1.00 25.37 C ATOM 1195 CE LYS A 128 48.654 -26.829 22.340 1.00 31.88 C ATOM 1196 NZ LYS A 128 47.316 -26.473 22.930 1.00 36.83 N ATOM 1197 HZ1 LYS A 128 47.421 -25.643 23.548 1.00 0.00 H ATOM 1198 HZ2 LYS A 128 46.648 -26.254 22.164 1.00 0.00 H ATOM 1199 HZ3 LYS A 128 46.958 -27.277 23.485 1.00 0.00 H ATOM 1200 H LYS A 128 49.125 -26.599 16.698 1.00 0.00 H ATOM 1201 N GLU A 129 52.594 -27.368 18.751 1.00 35.87 N ATOM 1202 CA GLU A 129 53.219 -28.595 19.227 1.00 39.04 C ATOM 1203 C GLU A 129 53.604 -28.413 20.667 1.00 40.68 C ATOM 1204 O GLU A 129 54.380 -27.520 21.016 1.00 41.27 O ATOM 1205 CB GLU A 129 54.449 -28.978 18.409 1.00 42.80 C ATOM 1206 H GLU A 129 53.110 -26.468 18.826 1.00 0.00 H ATOM 1207 N ASP A 130 53.056 -29.281 21.501 1.00 43.56 N ATOM 1208 CA ASP A 130 53.249 -29.220 22.945 1.00 49.30 C ATOM 1209 C ASP A 130 54.699 -29.261 23.414 1.00 46.68 C ATOM 1210 O ASP A 130 55.560 -29.764 22.723 1.00 53.67 O ATOM 1211 CB ASP A 130 52.477 -30.364 23.586 1.00 47.49 C ATOM 1212 CG ASP A 130 51.011 -30.045 23.722 1.00 49.70 C ATOM 1213 OD1 ASP A 130 50.712 -28.845 23.907 1.00 55.81 O ATOM 1214 OD2 ASP A 130 50.169 -30.965 23.660 1.00 49.93 O ATOM 1215 H ASP A 130 52.462 -30.040 21.110 1.00 0.00 H ATOM 1216 N GLY A 131 54.961 -28.717 24.593 1.00 51.01 N ATOM 1217 CA GLY A 131 56.268 -28.826 25.205 1.00 48.54 C ATOM 1218 C GLY A 131 56.101 -29.264 26.637 1.00 53.78 C ATOM 1219 O GLY A 131 54.995 -29.466 27.100 1.00 54.94 O ATOM 1220 H GLY A 131 54.209 -28.199 25.091 1.00 0.00 H ATOM 1221 N GLU A 132 57.181 -29.532 27.325 1.00 55.67 N ATOM 1222 CA GLU A 132 57.134 -29.678 28.759 1.00 52.79 C ATOM 1223 C GLU A 132 56.920 -28.380 29.487 1.00 52.02 C ATOM 1224 O GLU A 132 56.225 -28.316 30.462 1.00 42.80 O ATOM 1225 CB GLU A 132 58.401 -30.353 29.261 1.00 49.24 C ATOM 1226 H GLU A 132 58.089 -29.642 26.829 1.00 0.00 H ATOM 1227 N SER A 133 57.584 -27.348 29.017 1.00 52.30 N ATOM 1228 CA SER A 133 57.720 -26.136 29.776 1.00 48.04 C ATOM 1229 C SER A 133 56.450 -25.408 29.926 1.00 46.53 C ATOM 1230 O SER A 133 55.597 -25.481 29.077 1.00 40.84 O ATOM 1231 CB SER A 133 58.708 -25.200 29.146 1.00 46.48 C ATOM 1232 OG SER A 133 58.810 -24.050 29.934 1.00 44.16 O ATOM 1233 HG SER A 133 59.461 -23.427 29.524 1.00 0.00 H ATOM 1234 H SER A 133 58.021 -27.410 28.075 1.00 0.00 H ATOM 1235 N LEU A 134 56.318 -24.713 31.040 1.00 45.88 N ATOM 1236 CA LEU A 134 55.160 -23.915 31.263 1.00 37.13 C ATOM 1237 C LEU A 134 55.458 -22.463 31.342 1.00 40.94 C ATOM 1238 O LEU A 134 54.534 -21.702 31.362 1.00 48.02 O ATOM 1239 CB LEU A 134 54.462 -24.333 32.527 1.00 32.05 C ATOM 1240 CG LEU A 134 53.685 -25.631 32.560 1.00 31.31 C ATOM 1241 CD1 LEU A 134 52.492 -25.519 33.450 1.00 25.89 C ATOM 1242 CD2 LEU A 134 53.229 -26.075 31.207 1.00 45.62 C ATOM 1243 H LEU A 134 57.066 -24.748 31.761 1.00 0.00 H ATOM 1244 N GLU A 135 56.716 -22.057 31.419 1.00 40.46 N ATOM 1245 CA GLU A 135 57.006 -20.632 31.505 1.00 41.98 C ATOM 1246 C GLU A 135 57.459 -19.961 30.266 1.00 41.71 C ATOM 1247 O GLU A 135 57.562 -18.767 30.253 1.00 41.48 O ATOM 1248 CB GLU A 135 57.965 -20.278 32.619 1.00 51.29 C ATOM 1249 CG GLU A 135 58.404 -21.435 33.471 1.00 65.26 C ATOM 1250 CD GLU A 135 57.361 -21.862 34.457 1.00 61.87 C ATOM 1251 OE1 GLU A 135 56.395 -21.116 34.647 1.00 58.64 O ATOM 1252 OE2 GLU A 135 57.503 -22.949 35.046 1.00 62.16 O ATOM 1253 H GLU A 135 57.491 -22.750 31.418 1.00 0.00 H ATOM 1254 N PHE A 136 57.724 -20.710 29.220 1.00 41.98 N ATOM 1255 CA PHE A 136 58.040 -20.111 27.957 1.00 38.45 C ATOM 1256 C PHE A 136 57.405 -20.910 26.884 1.00 40.08 C ATOM 1257 O PHE A 136 57.161 -22.083 27.046 1.00 38.47 O ATOM 1258 CB PHE A 136 59.524 -20.093 27.724 1.00 43.79 C ATOM 1259 CG PHE A 136 60.308 -19.526 28.850 1.00 49.67 C ATOM 1260 CD1 PHE A 136 60.429 -18.181 29.006 1.00 49.52 C ATOM 1261 CD2 PHE A 136 60.936 -20.347 29.730 1.00 52.59 C ATOM 1262 CE1 PHE A 136 61.144 -17.659 30.034 1.00 47.87 C ATOM 1263 CE2 PHE A 136 61.661 -19.838 30.761 1.00 53.46 C ATOM 1264 CZ PHE A 136 61.761 -18.488 30.914 1.00 57.32 C ATOM 1265 H PHE A 136 57.704 -21.746 29.309 1.00 0.00 H ATOM 1266 N PHE A 137 57.138 -20.241 25.779 1.00 39.79 N ATOM 1267 CA PHE A 137 56.689 -20.881 24.571 1.00 37.79 C ATOM 1268 C PHE A 137 57.384 -20.164 23.477 1.00 37.93 C ATOM 1269 O PHE A 137 57.753 -19.037 23.658 1.00 37.80 O ATOM 1270 CB PHE A 137 55.177 -20.790 24.430 1.00 33.48 C ATOM 1271 CG PHE A 137 54.671 -19.460 24.000 1.00 31.46 C ATOM 1272 CD1 PHE A 137 54.717 -18.393 24.821 1.00 37.91 C ATOM 1273 CD2 PHE A 137 54.116 -19.309 22.785 1.00 31.45 C ATOM 1274 CE1 PHE A 137 54.247 -17.182 24.430 1.00 38.46 C ATOM 1275 CE2 PHE A 137 53.642 -18.108 22.380 1.00 31.17 C ATOM 1276 CZ PHE A 137 53.708 -17.043 23.206 1.00 34.34 C ATOM 1277 H PHE A 137 57.257 -19.208 25.781 1.00 0.00 H ATOM 1278 N GLU A 138 57.554 -20.804 22.340 1.00 39.93 N ATOM 1279 CA GLU A 138 58.065 -20.103 21.193 1.00 41.10 C ATOM 1280 C GLU A 138 57.089 -20.135 20.073 1.00 39.99 C ATOM 1281 O GLU A 138 56.361 -21.070 19.911 1.00 38.55 O ATOM 1282 CB GLU A 138 59.388 -20.663 20.708 1.00 50.19 C ATOM 1283 CG GLU A 138 59.640 -22.106 21.054 1.00 61.45 C ATOM 1284 CD GLU A 138 61.109 -22.444 21.116 1.00 67.30 C ATOM 1285 OE1 GLU A 138 61.922 -21.545 21.352 1.00 71.89 O ATOM 1286 OE2 GLU A 138 61.453 -23.617 20.944 1.00 75.66 O ATOM 1287 H GLU A 138 57.319 -21.815 22.271 1.00 0.00 H ATOM 1288 N THR A 139 57.109 -19.073 19.298 1.00 41.47 N ATOM 1289 CA THR A 139 56.273 -18.907 18.151 1.00 41.44 C ATOM 1290 C THR A 139 57.146 -18.790 16.943 1.00 44.91 C ATOM 1291 O THR A 139 58.203 -18.251 17.033 1.00 49.21 O ATOM 1292 CB THR A 139 55.517 -17.604 18.249 1.00 51.74 C ATOM 1293 OG1 THR A 139 54.840 -17.379 17.027 1.00 59.26 O ATOM 1294 CG2 THR A 139 56.465 -16.480 18.462 1.00 57.70 C ATOM 1295 HG1 THR A 139 54.340 -16.526 17.080 1.00 0.00 H ATOM 1296 H THR A 139 57.773 -18.308 19.534 1.00 0.00 H ATOM 1297 N GLN A 140 56.697 -19.309 15.816 1.00 44.67 N ATOM 1298 CA GLN A 140 57.436 -19.217 14.582 1.00 40.61 C ATOM 1299 C GLN A 140 56.551 -18.813 13.441 1.00 36.22 C ATOM 1300 O GLN A 140 55.557 -19.410 13.237 1.00 37.01 O ATOM 1301 CB GLN A 140 58.027 -20.580 14.334 1.00 49.70 C ATOM 1302 CG GLN A 140 58.380 -20.929 12.918 1.00 51.26 C ATOM 1303 CD GLN A 140 59.816 -20.719 12.631 1.00 52.31 C ATOM 1304 OE1 GLN A 140 60.661 -21.263 13.291 1.00 58.44 O ATOM 1305 NE2 GLN A 140 60.098 -19.942 11.628 1.00 43.35 N ATOM 1306 HE22 GLN A 140 59.332 -19.493 11.086 1.00 0.00 H ATOM 1307 HE21 GLN A 140 61.090 -19.769 11.367 1.00 0.00 H ATOM 1308 H GLN A 140 55.780 -19.800 15.818 1.00 0.00 H ATOM 1309 N PHE A 141 56.946 -17.864 12.630 1.00 33.54 N ATOM 1310 CA PHE A 141 56.160 -17.509 11.470 1.00 32.67 C ATOM 1311 C PHE A 141 56.693 -18.170 10.216 1.00 32.09 C ATOM 1312 O PHE A 141 57.865 -18.296 10.062 1.00 34.39 O ATOM 1313 CB PHE A 141 56.172 -16.016 11.275 1.00 37.33 C ATOM 1314 CG PHE A 141 54.961 -15.323 11.782 1.00 36.49 C ATOM 1315 CD1 PHE A 141 53.869 -15.203 11.011 1.00 35.49 C ATOM 1316 CD2 PHE A 141 54.942 -14.772 13.016 1.00 44.46 C ATOM 1317 CE1 PHE A 141 52.764 -14.554 11.464 1.00 39.00 C ATOM 1318 CE2 PHE A 141 53.847 -14.121 13.478 1.00 44.64 C ATOM 1319 CZ PHE A 141 52.751 -14.018 12.700 1.00 44.35 C ATOM 1320 H PHE A 141 57.835 -17.360 12.823 1.00 0.00 H ATOM 1321 N ILE A 142 55.816 -18.615 9.331 1.00 27.40 N ATOM 1322 CA ILE A 142 56.222 -19.237 8.094 1.00 24.25 C ATOM 1323 C ILE A 142 55.442 -18.685 6.954 1.00 21.60 C ATOM 1324 O ILE A 142 54.323 -18.382 7.110 1.00 23.12 O ATOM 1325 CB ILE A 142 55.993 -20.713 8.178 1.00 23.45 C ATOM 1326 CG1 ILE A 142 56.762 -21.211 9.361 1.00 26.72 C ATOM 1327 CG2 ILE A 142 56.474 -21.396 6.937 1.00 20.22 C ATOM 1328 CD1 ILE A 142 56.845 -22.696 9.448 1.00 32.36 C ATOM 1329 H ILE A 142 54.801 -18.513 9.534 1.00 0.00 H ATOM 1330 N LEU A 143 56.045 -18.556 5.799 1.00 19.38 N ATOM 1331 CA LEU A 143 55.446 -17.851 4.713 1.00 18.09 C ATOM 1332 C LEU A 143 54.968 -18.781 3.685 1.00 19.47 C ATOM 1333 O LEU A 143 55.668 -19.643 3.275 1.00 21.47 O ATOM 1334 CB LEU A 143 56.434 -16.908 4.089 1.00 16.88 C ATOM 1335 CG LEU A 143 55.888 -16.208 2.875 1.00 19.09 C ATOM 1336 CD1 LEU A 143 55.015 -15.072 3.252 1.00 25.36 C ATOM 1337 CD2 LEU A 143 56.971 -15.713 1.980 1.00 21.99 C ATOM 1338 H LEU A 143 56.986 -18.979 5.670 1.00 0.00 H ATOM 1339 N SER A 144 53.761 -18.549 3.227 1.00 18.36 N ATOM 1340 CA SER A 144 53.170 -19.402 2.271 1.00 17.15 C ATOM 1341 C SER A 144 53.128 -18.748 0.946 1.00 19.03 C ATOM 1342 O SER A 144 52.608 -17.694 0.779 1.00 24.05 O ATOM 1343 CB SER A 144 51.787 -19.749 2.706 1.00 21.41 C ATOM 1344 OG SER A 144 51.150 -20.526 1.744 1.00 26.56 O ATOM 1345 HG SER A 144 51.102 -20.022 0.893 1.00 0.00 H ATOM 1346 H SER A 144 53.232 -17.724 3.574 1.00 0.00 H ATOM 1347 N PRO A 145 53.661 -19.406 -0.039 1.00 17.48 N ATOM 1348 CA PRO A 145 53.672 -18.937 -1.400 1.00 18.00 C ATOM 1349 C PRO A 145 52.316 -18.779 -2.022 1.00 23.97 C ATOM 1350 O PRO A 145 52.156 -17.985 -2.894 1.00 27.91 O ATOM 1351 CB PRO A 145 54.406 -20.042 -2.109 1.00 19.54 C ATOM 1352 CG PRO A 145 54.367 -21.189 -1.199 1.00 21.20 C ATOM 1353 CD PRO A 145 54.511 -20.571 0.108 1.00 18.75 C ATOM 1354 N ARG A 146 51.375 -19.607 -1.631 1.00 25.00 N ATOM 1355 CA ARG A 146 50.111 -19.779 -2.293 1.00 30.39 C ATOM 1356 C ARG A 146 49.031 -19.806 -1.258 1.00 31.60 C ATOM 1357 O ARG A 146 49.314 -20.077 -0.130 1.00 27.93 O ATOM 1358 CB ARG A 146 50.133 -21.119 -2.997 1.00 31.56 C ATOM 1359 CG ARG A 146 50.161 -21.025 -4.499 1.00 41.81 C ATOM 1360 CD ARG A 146 50.515 -22.347 -5.100 1.00 53.96 C ATOM 1361 NE ARG A 146 51.946 -22.549 -5.060 1.00 58.71 N ATOM 1362 CZ ARG A 146 52.570 -23.178 -4.077 1.00 65.85 C ATOM 1363 NH1 ARG A 146 51.868 -23.657 -3.061 1.00 55.70 N ATOM 1364 NH2 ARG A 146 53.887 -23.316 -4.110 1.00 49.16 N ATOM 1365 HE ARG A 146 52.517 -22.180 -5.847 1.00 0.00 H ATOM 1366 HH12 ARG A 146 52.350 -24.153 -2.284 1.00 0.00 H ATOM 1367 HH11 ARG A 146 50.835 -23.537 -3.040 1.00 0.00 H ATOM 1368 HH22 ARG A 146 54.378 -23.810 -3.338 1.00 0.00 H ATOM 1369 HH21 ARG A 146 54.430 -22.930 -4.908 1.00 0.00 H ATOM 1370 H ARG A 146 51.557 -20.179 -0.782 1.00 0.00 H ATOM 1371 N SER A 147 47.791 -19.519 -1.643 1.00 32.73 N ATOM 1372 CA SER A 147 46.666 -19.479 -0.704 1.00 30.37 C ATOM 1373 C SER A 147 46.478 -20.790 -0.020 1.00 30.12 C ATOM 1374 O SER A 147 46.619 -21.825 -0.636 1.00 33.74 O ATOM 1375 CB SER A 147 45.350 -19.137 -1.379 1.00 35.17 C ATOM 1376 OG SER A 147 44.261 -19.542 -0.557 1.00 32.03 O ATOM 1377 HG SER A 147 43.408 -19.315 -1.006 1.00 0.00 H ATOM 1378 H SER A 147 47.613 -19.315 -2.647 1.00 0.00 H ATOM 1379 N LEU A 148 46.090 -20.741 1.240 1.00 29.42 N ATOM 1380 CA LEU A 148 45.963 -21.938 2.038 1.00 29.81 C ATOM 1381 C LEU A 148 44.556 -22.542 1.984 1.00 37.75 C ATOM 1382 O LEU A 148 44.288 -23.572 2.595 1.00 43.19 O ATOM 1383 CB LEU A 148 46.361 -21.625 3.462 1.00 28.20 C ATOM 1384 CG LEU A 148 47.765 -21.049 3.623 1.00 20.31 C ATOM 1385 CD1 LEU A 148 47.811 -20.299 4.896 1.00 23.17 C ATOM 1386 CD2 LEU A 148 48.828 -22.109 3.657 1.00 18.70 C ATOM 1387 H LEU A 148 45.871 -19.819 1.668 1.00 0.00 H ATOM 1388 N LEU A 149 43.664 -21.929 1.222 1.00 35.83 N ATOM 1389 CA LEU A 149 42.362 -22.528 0.998 1.00 41.80 C ATOM 1390 C LEU A 149 42.363 -23.354 -0.268 1.00 53.01 C ATOM 1391 O LEU A 149 42.970 -22.949 -1.255 1.00 65.26 O ATOM 1392 CB LEU A 149 41.315 -21.445 0.903 1.00 45.27 C ATOM 1393 CG LEU A 149 41.400 -20.528 2.106 1.00 38.56 C ATOM 1394 CD1 LEU A 149 40.372 -19.429 1.994 1.00 39.09 C ATOM 1395 CD2 LEU A 149 41.178 -21.366 3.342 1.00 39.82 C ATOM 1396 H LEU A 149 43.897 -21.016 0.783 1.00 0.00 H ATOM 1397 N GLN A 150 41.685 -24.499 -0.252 1.00 61.90 N ATOM 1398 CA GLN A 150 41.625 -25.366 -1.433 1.00 67.64 C ATOM 1399 C GLN A 150 43.012 -25.912 -1.816 1.00 61.68 C ATOM 1400 O GLN A 150 43.576 -26.782 -1.142 1.00 52.01 O ATOM 1401 CB GLN A 150 41.004 -24.610 -2.626 1.00 56.73 C ATOM 1402 H GLN A 150 41.188 -24.785 0.616 1.00 0.00 H TER 1403 GLN A 150 HETATM 1404 N MET A 1 48.676 15.437 5.565 1.00 0.24 N HETATM 1405 CA MET A 1 48.761 14.067 5.102 1.00 0.07 C HETATM 1406 C MET A 1 48.355 13.146 6.210 1.00 0.23 C HETATM 1407 O MET A 1 48.221 13.572 7.325 1.00 -0.39 O HETATM 1408 N MET A 1 48.143 11.888 5.862 1.00 -0.26 N HETATM 1409 CA MET A 1 47.653 10.836 6.743 1.00 0.16 C HETATM 1410 C MET A 1 48.696 10.342 7.728 1.00 0.21 C HETATM 1411 O MET A 1 49.836 10.243 7.373 1.00 -0.39 O HETATM 1412 N MET A 1 48.294 9.990 8.941 1.00 -0.26 N HETATM 1413 CA MET A 1 49.214 9.396 9.907 1.00 0.15 C HETATM 1414 C MET A 1 48.857 7.938 10.025 1.00 0.21 C HETATM 1415 O MET A 1 47.738 7.624 10.363 1.00 -0.39 O HETATM 1416 N MET A 1 49.793 7.054 9.703 1.00 -0.26 N HETATM 1417 CA MET A 1 49.476 5.648 9.503 1.00 0.14 C HETATM 1418 C MET A 1 49.070 4.764 10.653 1.00 0.21 C HETATM 1419 O MET A 1 48.091 4.068 10.565 1.00 -0.39 O HETATM 1420 N MET A 1 49.852 4.723 11.705 1.00 -0.26 N HETATM 1421 CA MET A 1 49.519 3.862 12.807 1.00 0.13 C HETATM 1422 C MET A 1 48.223 4.282 13.451 1.00 0.20 C HETATM 1423 O MET A 1 47.507 3.455 13.944 1.00 -0.39 O HETATM 1424 N MET A 1 47.938 5.573 13.511 1.00 -0.26 N HETATM 1425 CA MET A 1 46.732 6.067 14.171 1.00 0.14 C HETATM 1426 C MET A 1 45.463 6.189 13.342 1.00 0.21 C HETATM 1427 O MET A 1 44.405 6.443 13.894 1.00 -0.39 O HETATM 1428 N MET A 1 45.553 6.051 12.036 1.00 -0.26 N HETATM 1429 CA MET A 1 44.402 6.285 11.199 1.00 0.13 C HETATM 1430 C MET A 1 43.249 5.402 11.581 1.00 0.20 C HETATM 1431 O MET A 1 43.416 4.448 12.291 1.00 -0.39 O HETATM 1432 N MET A 1 42.061 5.721 11.107 1.00 -0.26 N HETATM 1433 CA MET A 1 40.955 4.801 11.213 1.00 0.14 C HETATM 1434 C MET A 1 41.247 3.590 10.352 1.00 0.21 C HETATM 1435 O MET A 1 42.159 3.607 9.537 1.00 -0.39 O HETATM 1436 N MET A 1 40.462 2.548 10.540 1.00 -0.26 N HETATM 1437 CA MET A 1 40.672 1.313 9.860 1.00 0.16 C HETATM 1438 CB MET A 1 40.206 0.196 10.744 1.00 0.13 C HETATM 1439 CG2 MET A 1 40.309 -1.097 9.985 1.00 -0.03 C HETATM 1440 H55 MET A 1 39.969 -1.925 10.624 1.00 0.03 H HETATM 1441 H56 MET A 1 41.355 -1.267 9.690 1.00 0.03 H HETATM 1442 H57 MET A 1 39.678 -1.045 9.085 1.00 0.03 H HETATM 1443 OG1 MET A 1 41.069 0.131 11.838 1.00 -0.27 O HETATM 1444 P MET A 1 40.507 0.171 13.272 1.00 0.20 P HETATM 1445 O1P MET A 1 41.570 0.663 14.136 1.00 -0.55 O HETATM 1446 O2P MET A 1 39.378 1.077 13.161 1.00 -0.55 O HETATM 1447 O3P MET A 1 40.205 -1.230 13.515 1.00 -0.55 O HETATM 1448 H54 MET A 1 39.171 0.368 11.074 1.00 0.07 H HETATM 1449 C MET A 1 39.820 1.476 8.684 1.00 0.21 C HETATM 1450 O MET A 1 38.784 2.110 8.793 1.00 -0.39 O HETATM 1451 N MET A 1 40.241 0.961 7.556 1.00 -0.26 N HETATM 1452 CA MET A 1 39.609 1.267 6.320 1.00 0.13 C HETATM 1453 C MET A 1 39.025 -0.009 5.854 1.00 0.20 C HETATM 1454 O MET A 1 39.668 -1.017 5.896 1.00 -0.39 O HETATM 1455 N MET A 1 37.793 0.032 5.398 1.00 -0.26 N HETATM 1456 CA MET A 1 37.166 -1.154 4.891 1.00 0.13 C HETATM 1457 C MET A 1 37.050 -1.003 3.412 1.00 0.20 C HETATM 1458 O MET A 1 36.863 0.093 2.920 1.00 -0.39 O HETATM 1459 N MET A 1 37.188 -2.112 2.701 1.00 -0.27 N HETATM 1460 CA MET A 1 37.041 -2.135 1.258 1.00 0.09 C HETATM 1461 C MET A 1 37.602 -3.431 0.726 1.00 0.06 C HETATM 1462 O MET A 1 37.320 -4.486 1.271 1.00 -0.57 O HETATM 1463 OXT MET A 1 38.337 -3.422 -0.248 1.00 -0.57 O HETATM 1464 CB MET A 1 37.760 -0.959 0.597 1.00 -0.03 C HETATM 1465 H72 MET A 1 37.625 -1.013 -0.493 1.00 0.03 H HETATM 1466 H73 MET A 1 38.833 -1.004 0.836 1.00 0.03 H HETATM 1467 H74 MET A 1 37.340 -0.014 0.973 1.00 0.03 H HETATM 1468 H71 MET A 1 35.971 -2.076 1.011 1.00 0.07 H HETATM 1469 H70 MET A 1 37.401 -2.965 3.177 1.00 0.19 H HETATM 1470 CB MET A 1 35.791 -1.325 5.476 1.00 -0.00 C HETATM 1471 CG MET A 1 34.993 -2.411 4.800 1.00 0.00 C HETATM 1472 CD MET A 1 35.758 -3.703 4.716 1.00 0.04 C HETATM 1473 OE1 MET A 1 36.098 -4.113 3.594 1.00 -0.57 O HETATM 1474 OE2 MET A 1 36.030 -4.301 5.773 1.00 -0.57 O HETATM 1475 H68 MET A 1 34.738 -2.083 3.782 1.00 0.04 H HETATM 1476 H69 MET A 1 34.069 -2.582 5.372 1.00 0.04 H HETATM 1477 H66 MET A 1 35.246 -0.375 5.374 1.00 0.03 H HETATM 1478 H67 MET A 1 35.893 -1.577 6.542 1.00 0.03 H HETATM 1479 H65 MET A 1 37.780 -2.033 5.135 1.00 0.08 H HETATM 1480 H64 MET A 1 37.289 0.896 5.405 1.00 0.19 H HETATM 1481 CB MET A 1 40.662 1.763 5.339 1.00 -0.00 C HETATM 1482 CG MET A 1 40.388 1.511 3.866 1.00 0.00 C HETATM 1483 CD MET A 1 41.643 1.288 3.050 1.00 0.04 C HETATM 1484 OE1 MET A 1 42.557 2.121 3.141 1.00 -0.57 O HETATM 1485 OE2 MET A 1 41.714 0.291 2.308 1.00 -0.57 O HETATM 1486 H62 MET A 1 39.856 2.382 3.456 1.00 0.04 H HETATM 1487 H63 MET A 1 39.752 0.618 3.778 1.00 0.04 H HETATM 1488 H60 MET A 1 41.612 1.270 5.591 1.00 0.03 H HETATM 1489 H61 MET A 1 40.764 2.849 5.479 1.00 0.03 H HETATM 1490 H59 MET A 1 38.827 2.029 6.452 1.00 0.08 H HETATM 1491 H58 MET A 1 41.024 0.339 7.564 1.00 0.19 H HETATM 1492 H53 MET A 1 41.725 1.163 9.580 1.00 0.08 H HETATM 1493 H52 MET A 1 39.696 2.626 11.179 1.00 0.19 H HETATM 1494 CB MET A 1 39.657 5.468 10.778 1.00 0.04 C HETATM 1495 CG MET A 1 39.246 6.594 11.697 1.00 0.04 C HETATM 1496 OD1 MET A 1 39.408 6.456 12.931 1.00 -0.57 O HETATM 1497 OD2 MET A 1 38.762 7.621 11.178 1.00 -0.57 O HETATM 1498 H50 MET A 1 38.858 4.712 10.768 1.00 0.05 H HETATM 1499 H51 MET A 1 39.791 5.872 9.764 1.00 0.05 H HETATM 1500 H49 MET A 1 40.853 4.481 12.261 1.00 0.08 H HETATM 1501 H48 MET A 1 41.925 6.610 10.669 1.00 0.19 H HETATM 1502 CB MET A 1 44.766 6.058 9.769 1.00 -0.02 C HETATM 1503 H45 MET A 1 43.886 6.237 9.134 1.00 0.03 H HETATM 1504 H46 MET A 1 45.108 5.021 9.638 1.00 0.03 H HETATM 1505 H47 MET A 1 45.572 6.749 9.482 1.00 0.03 H HETATM 1506 H44 MET A 1 44.091 7.333 11.322 1.00 0.08 H HETATM 1507 H43 MET A 1 46.423 5.783 11.623 1.00 0.19 H HETATM 1508 CB MET A 1 46.968 7.437 14.802 1.00 0.04 C HETATM 1509 CG MET A 1 48.402 7.684 15.162 1.00 0.04 C HETATM 1510 OD1 MET A 1 49.100 6.709 15.450 1.00 -0.57 O HETATM 1511 OD2 MET A 1 48.829 8.850 15.149 1.00 -0.57 O HETATM 1512 H41 MET A 1 46.361 7.510 15.716 1.00 0.05 H HETATM 1513 H42 MET A 1 46.649 8.210 14.088 1.00 0.05 H HETATM 1514 H40 MET A 1 46.516 5.351 14.978 1.00 0.08 H HETATM 1515 H39 MET A 1 48.566 6.229 13.093 1.00 0.19 H HETATM 1516 CB MET A 1 50.649 3.749 13.816 1.00 -0.00 C HETATM 1517 CG MET A 1 52.047 3.745 13.231 1.00 0.00 C HETATM 1518 CD MET A 1 52.636 2.364 13.063 1.00 0.04 C HETATM 1519 OE1 MET A 1 53.144 1.776 14.038 1.00 -0.57 O HETATM 1520 OE2 MET A 1 52.610 1.870 11.930 1.00 -0.57 O HETATM 1521 H37 MET A 1 52.703 4.323 13.898 1.00 0.04 H HETATM 1522 H38 MET A 1 52.011 4.229 12.244 1.00 0.04 H HETATM 1523 H35 MET A 1 50.513 2.811 14.374 1.00 0.03 H HETATM 1524 H36 MET A 1 50.573 4.601 14.507 1.00 0.03 H HETATM 1525 H34 MET A 1 49.362 2.855 12.392 1.00 0.08 H HETATM 1526 H33 MET A 1 50.676 5.288 11.740 1.00 0.19 H HETATM 1527 CB MET A 1 50.670 4.990 8.884 1.00 0.02 C HETATM 1528 CG MET A 1 50.331 3.845 8.019 1.00 -0.04 C HETATM 1529 CD1 MET A 1 49.551 4.029 6.921 1.00 -0.06 C HETATM 1530 CE1 MET A 1 49.240 2.990 6.104 1.00 -0.07 C HETATM 1531 CZ MET A 1 49.707 1.752 6.397 1.00 -0.07 C HETATM 1532 CE2 MET A 1 50.489 1.553 7.496 1.00 -0.07 C HETATM 1533 CD2 MET A 1 50.795 2.595 8.301 1.00 -0.06 C HETATM 1534 H29 MET A 1 51.414 2.435 9.177 1.00 0.06 H HETATM 1535 H31 MET A 1 50.864 0.562 7.724 1.00 0.06 H HETATM 1536 H32 MET A 1 49.458 0.916 5.754 1.00 0.06 H HETATM 1537 H30 MET A 1 48.624 3.149 5.226 1.00 0.06 H HETATM 1538 H28 MET A 1 49.172 5.019 6.694 1.00 0.06 H HETATM 1539 H26 MET A 1 51.328 4.634 9.690 1.00 0.05 H HETATM 1540 H27 MET A 1 51.204 5.737 8.278 1.00 0.05 H HETATM 1541 H25 MET A 1 48.642 5.626 8.787 1.00 0.08 H HETATM 1542 H24 MET A 1 50.739 7.361 9.595 1.00 0.19 H HETATM 1543 CB MET A 1 49.048 10.063 11.257 1.00 0.08 C HETATM 1544 OG MET A 1 49.522 9.242 12.294 1.00 -0.39 O HETATM 1545 H23 MET A 1 49.405 9.685 13.126 1.00 0.21 H HETATM 1546 H21 MET A 1 47.981 10.272 11.425 1.00 0.06 H HETATM 1547 H22 MET A 1 49.612 11.008 11.262 1.00 0.06 H HETATM 1548 H20 MET A 1 50.252 9.508 9.561 1.00 0.08 H HETATM 1549 H19 MET A 1 47.339 10.134 9.200 1.00 0.19 H HETATM 1550 CB MET A 1 47.029 9.712 5.869 1.00 0.09 C HETATM 1551 OG1 MET A 1 45.613 9.677 6.069 1.00 -0.39 O HETATM 1552 H15 MET A 1 45.236 8.989 5.533 1.00 0.21 H HETATM 1553 CG2 MET A 1 47.620 8.299 6.076 1.00 -0.03 C HETATM 1554 H16 MET A 1 47.108 7.587 5.412 1.00 0.03 H HETATM 1555 H17 MET A 1 47.478 7.992 7.123 1.00 0.03 H HETATM 1556 H18 MET A 1 48.694 8.313 5.841 1.00 0.03 H HETATM 1557 H14 MET A 1 47.217 9.984 4.820 1.00 0.06 H HETATM 1558 H13 MET A 1 46.840 11.267 7.346 1.00 0.08 H HETATM 1559 H12 MET A 1 48.335 11.637 4.913 1.00 0.19 H HETATM 1560 CB MET A 1 50.177 13.725 4.630 1.00 0.02 C HETATM 1561 CG MET A 1 51.255 14.700 5.069 1.00 0.00 C HETATM 1562 SD MET A 1 52.794 14.581 4.179 1.00 -0.16 S HETATM 1563 CE MET A 1 52.266 13.815 2.688 1.00 -0.02 C HETATM 1564 H9 MET A 1 53.130 13.674 2.022 1.00 0.03 H HETATM 1565 H10 MET A 1 51.521 14.454 2.191 1.00 0.03 H HETATM 1566 H11 MET A 1 51.816 12.838 2.917 1.00 0.03 H HETATM 1567 H7 MET A 1 51.463 14.520 6.134 1.00 0.04 H HETATM 1568 H8 MET A 1 50.865 15.720 4.939 1.00 0.04 H HETATM 1569 H5 MET A 1 50.172 13.695 3.530 1.00 0.04 H HETATM 1570 H6 MET A 1 50.436 12.731 5.023 1.00 0.04 H HETATM 1571 H4 MET A 1 48.069 13.937 4.257 1.00 0.11 H HETATM 1572 H1 MET A 1 48.949 16.061 4.821 1.00 0.20 H HETATM 1573 H2 MET A 1 49.292 15.564 6.353 1.00 0.20 H HETATM 1574 H3 MET A 1 47.728 15.640 5.843 1.00 0.20 H CONECT 1 2 10 11 12 CONECT 10 1 CONECT 11 1 CONECT 12 1 CONECT 77 67 78 85 CONECT 78 77 79 81 CONECT 79 78 80 86 CONECT 80 79 CONECT 81 78 82 CONECT 82 81 83 CONECT 83 82 84 CONECT 84 83 CONECT 85 77 CONECT 802 793 803 810 CONECT 803 802 804 806 CONECT 804 803 805 811 CONECT 805 804 CONECT 806 803 807 CONECT 807 806 808 CONECT 808 807 809 CONECT 809 808 CONECT 810 802 CONECT 989 978 990 997 CONECT 990 989 991 993 CONECT 991 990 992 998 CONECT 992 991 CONECT 993 990 994 CONECT 994 993 995 CONECT 995 994 996 CONECT 996 995 CONECT 997 989 CONECT 1061 1056 1062 1069 CONECT 1062 1061 1063 1065 CONECT 1063 1062 1064 1070 CONECT 1064 1063 CONECT 1065 1062 1066 CONECT 1066 1065 1067 CONECT 1067 1066 1068 CONECT 1068 1067 CONECT 1069 1061 CONECT 1169 1162 1170 1177 CONECT 1170 1169 1171 1173 CONECT 1171 1170 1172 1178 CONECT 1172 1171 CONECT 1173 1170 1174 CONECT 1174 1173 1175 CONECT 1175 1174 1176 CONECT 1176 1175 CONECT 1177 1169 CONECT 1404 1405 1572 1573 1574 CONECT 1405 1404 1406 1560 1571 CONECT 1406 1405 1407 1408 CONECT 1407 1406 CONECT 1408 1406 1409 1559 CONECT 1409 1408 1410 1550 1558 CONECT 1410 1409 1411 1412 CONECT 1411 1410 CONECT 1412 1410 1413 1549 CONECT 1413 1412 1414 1543 1548 CONECT 1414 1413 1415 1416 CONECT 1415 1414 CONECT 1416 1414 1417 1542 CONECT 1417 1416 1418 1527 1541 CONECT 1418 1417 1419 1420 CONECT 1419 1418 CONECT 1420 1418 1421 1526 CONECT 1421 1420 1422 1516 1525 CONECT 1422 1421 1423 1424 CONECT 1423 1422 CONECT 1424 1422 1425 1515 CONECT 1425 1424 1426 1508 1514 CONECT 1426 1425 1427 1428 CONECT 1427 1426 CONECT 1428 1426 1429 1507 CONECT 1429 1428 1430 1502 1506 CONECT 1430 1429 1431 1432 CONECT 1431 1430 CONECT 1432 1430 1433 1501 CONECT 1433 1432 1434 1494 1500 CONECT 1434 1433 1435 1436 CONECT 1435 1434 CONECT 1436 1434 1437 1493 CONECT 1437 1436 1438 1449 1492 CONECT 1438 1437 1439 1443 1448 CONECT 1439 1438 1440 1441 1442 CONECT 1440 1439 CONECT 1441 1439 CONECT 1442 1439 CONECT 1443 1438 1444 CONECT 1444 1443 1445 1446 1447 CONECT 1445 1444 CONECT 1446 1444 CONECT 1447 1444 CONECT 1448 1438 CONECT 1449 1437 1450 1451 CONECT 1450 1449 CONECT 1451 1449 1452 1491 CONECT 1452 1451 1453 1481 1490 CONECT 1453 1452 1454 1455 CONECT 1454 1453 CONECT 1455 1453 1456 1480 CONECT 1456 1455 1457 1470 1479 CONECT 1457 1456 1458 1459 CONECT 1458 1457 CONECT 1459 1457 1460 1469 CONECT 1460 1459 1461 1464 1468 CONECT 1461 1460 1462 1463 CONECT 1462 1461 CONECT 1463 1461 CONECT 1464 1460 1465 1466 1467 CONECT 1465 1464 CONECT 1466 1464 CONECT 1467 1464 CONECT 1468 1460 CONECT 1469 1459 CONECT 1470 1456 1471 1477 1478 CONECT 1471 1470 1472 1475 1476 CONECT 1472 1471 1473 1474 CONECT 1473 1472 CONECT 1474 1472 CONECT 1475 1471 CONECT 1476 1471 CONECT 1477 1470 CONECT 1478 1470 CONECT 1479 1456 CONECT 1480 1455 CONECT 1481 1452 1482 1488 1489 CONECT 1482 1481 1483 1486 1487 CONECT 1483 1482 1484 1485 CONECT 1484 1483 CONECT 1485 1483 CONECT 1486 1482 CONECT 1487 1482 CONECT 1488 1481 CONECT 1489 1481 CONECT 1490 1452 CONECT 1491 1451 CONECT 1492 1437 CONECT 1493 1436 CONECT 1494 1433 1495 1498 1499 CONECT 1495 1494 1496 1497 CONECT 1496 1495 CONECT 1497 1495 CONECT 1498 1494 CONECT 1499 1494 CONECT 1500 1433 CONECT 1501 1432 CONECT 1502 1429 1503 1504 1505 CONECT 1503 1502 CONECT 1504 1502 CONECT 1505 1502 CONECT 1506 1429 CONECT 1507 1428 CONECT 1508 1425 1509 1512 1513 CONECT 1509 1508 1510 1511 CONECT 1510 1509 CONECT 1511 1509 CONECT 1512 1508 CONECT 1513 1508 CONECT 1514 1425 CONECT 1515 1424 CONECT 1516 1421 1517 1523 1524 CONECT 1517 1516 1518 1521 1522 CONECT 1518 1517 1519 1520 CONECT 1519 1518 CONECT 1520 1518 CONECT 1521 1517 CONECT 1522 1517 CONECT 1523 1516 CONECT 1524 1516 CONECT 1525 1421 CONECT 1526 1420 CONECT 1527 1417 1528 1539 1540 CONECT 1528 1527 1529 1533 CONECT 1529 1528 1530 1538 CONECT 1530 1529 1531 1537 CONECT 1531 1530 1532 1536 CONECT 1532 1531 1533 1535 CONECT 1533 1528 1532 1534 CONECT 1534 1533 CONECT 1535 1532 CONECT 1536 1531 CONECT 1537 1530 CONECT 1538 1529 CONECT 1539 1527 CONECT 1540 1527 CONECT 1541 1417 CONECT 1542 1416 CONECT 1543 1413 1544 1546 1547 CONECT 1544 1543 1545 CONECT 1545 1544 CONECT 1546 1543 CONECT 1547 1543 CONECT 1548 1413 CONECT 1549 1412 CONECT 1550 1409 1551 1553 1557 CONECT 1551 1550 1552 CONECT 1552 1551 CONECT 1553 1550 1554 1555 1556 CONECT 1554 1553 CONECT 1555 1553 CONECT 1556 1553 CONECT 1557 1550 CONECT 1558 1409 CONECT 1559 1408 CONECT 1560 1405 1561 1569 1570 CONECT 1561 1560 1562 1567 1568 CONECT 1562 1561 1563 CONECT 1563 1562 1564 1565 1566 CONECT 1564 1563 CONECT 1565 1563 CONECT 1566 1563 CONECT 1567 1561 CONECT 1568 1561 CONECT 1569 1560 CONECT 1570 1560 CONECT 1571 1405 CONECT 1572 1404 CONECT 1573 1404 CONECT 1574 1404 MASTER 0 0 0 0 0 0 0 0 1573 1 220 11 END
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12-mer
6pit
RCSB PDB
PDBbind
12-mer
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PDBbind
12-mer
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RCSB PDB
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12-mer
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PDBbind
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6k5r
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PDBbind
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PDBbind
12-mer
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Entry Information
PDB ID
4ym4
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Truncated Human TIFA
Ligand Name
12-mer
EC.Number
E.C.-.-.-.-
Resolution
3.12(Å)
Affinity (Kd/Ki/IC50)
Kd=33.6uM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) Biochemistry Vol. 54: pp. 6219-6229
Ligand Properties
Formula
C
5
4
H
8
3
N
1
2
O
2
9
PS
Molecular Weight
1427.340
Exact Mass
1426.480
No. of atoms
180
No. of bonds
180
Polar Surface Area
720.81
LOGP Value
-2.28 (
Computed with XLOGP3
)
-4.67 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 14
No. of Hydrogen Bond Acceptors: 28
No. of Rotatable Bonds: 52
No. of Nitrogen and Oxygen Atoms: 41
No. of Rings: 1
Canonical SMILES
CSCC[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)N[C@H](C(=O)N[C@@H]([C@H](OP(O)(O)O)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C)CCC(=O)O)CCC(=O)O)CC(=O)O)C)CC(=O)O)CCC(=O)O)Cc1ccccc1)CO)[C@H](O)C)[NH3+]
InChI String
InChI=1S/C54H83N12O29PS/c1-23(43(79)61-34(21-40(77)78)50(86)66-42(26(4)95-96(92,93)94)53(89)60-31(13-16-38(73)74)46(82)58-29(11-14-36(69)70)45(81)57-24(2)54(90)91)56-48(84)33(20-39(75)76)63-47(83)30(12-15-37(71)72)59-49(85)32(19-27-9-7-6-8-10-27)62-51(87)35(22-67)64-52(88)41(25(3)68)65-44(80)28(55)17-18-97-5/h6-10,23-26,28-35,41-42,67-68,92-94,96H,11-22,55H2,1-5H3,(H,56,84)(H,57,81)(H,58,82)(H,59,85)(H,60,89)(H,61,79)(H,62,87)(H,63,83)(H,64,88)(H,65,80)(H,66,86)(H,69,70)(H,71,72)(H,73,74)(H,75,76)(H,77,78)(H,90,91)/p+1/t23-,24-,25+,26+,28-,29-,30-,31-,32-,33-,34-,35-,41-,42-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
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Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q96CG3
Entrez Gene ID
NCBI Entrez Gene ID:
92610
ASD
Information of known allosteric effects of PDB entries
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