Browse entries in the PDBbind-CN Database
HEADER 6QGG_COMPLEX COMPND 6QGG_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 24 SER GLN ASP ASN ARG GLU ILE VAL MET LYS TYR ILE SER SEQRES 2 A 24 TYR LYS LEU SER GLN ARG GLY TYR GLU TRP ASP SEQRES 1 A 116 THR GLU SER GLU VAL VAL HIS GLN THR LEU ARG GLN ALA SEQRES 2 A 116 GLY ASP ASP PHE SER LEU ARG TYR ARG ARG ASP PHE ALA SEQRES 3 A 116 GLU MET SER SER GLN LEU HIS LEU THR PRO GLY THR ALA SEQRES 4 A 116 TYR ALA SER PHE ALA THR VAL VAL GLU GLU LEU PHE ARG SEQRES 5 A 116 ASP GLY VAL ASN TRP GLY ARG ILE VAL ALA PHE PHE GLU SEQRES 6 A 116 PHE GLY GLY VAL MET CYS VAL GLU SER VAL ASN ARG GLU SEQRES 7 A 116 MET SER VAL LEU VAL ASP ASN ILE ALA ALA TRP MET ALA SEQRES 8 A 116 THR TYR LEU ASN ASP HIS LEU HIS THR TRP ILE GLN ASP SEQRES 9 A 116 ASN GLY GLY TRP ASP ALA PHE VAL GLU LEU TYR GLY HET J A 1H 108 ATOM 1 N SER A 8 -5.124 14.154 13.301 1.00 59.58 N ATOM 2 CA SER A 8 -5.123 15.534 12.735 1.00 55.00 C ATOM 3 C SER A 8 -5.906 15.590 11.406 1.00 43.66 C ATOM 4 O SER A 8 -6.591 16.609 11.152 1.00 45.59 O ATOM 5 CB SER A 8 -3.718 16.067 12.603 1.00 60.25 C ATOM 6 OG SER A 8 -3.006 15.389 11.577 1.00 74.01 O ATOM 7 HG SER A 8 -2.090 15.759 11.513 1.00 0.00 H ATOM 8 HN3 SER A 8 -4.678 13.503 12.624 1.00 0.00 H ATOM 9 HN2 SER A 8 -6.104 13.854 13.479 1.00 0.00 H ATOM 10 HN1 SER A 8 -4.591 14.146 14.194 1.00 0.00 H ATOM 11 N GLN A 9 -5.875 14.524 10.580 1.00 36.49 N ATOM 12 CA GLN A 9 -6.717 14.516 9.325 1.00 30.56 C ATOM 13 C GLN A 9 -8.205 14.478 9.712 1.00 29.05 C ATOM 14 O GLN A 9 -9.023 15.067 8.982 1.00 27.63 O ATOM 15 CB GLN A 9 -6.413 13.397 8.329 1.00 27.07 C ATOM 16 CG GLN A 9 -5.261 13.709 7.358 1.00 26.67 C ATOM 17 CD GLN A 9 -4.905 12.556 6.457 1.00 24.96 C ATOM 18 OE1 GLN A 9 -5.773 11.810 6.007 1.00 23.59 O ATOM 19 NE2 GLN A 9 -3.620 12.411 6.120 1.00 21.77 N ATOM 20 HE22 GLN A 9 -2.903 13.054 6.513 1.00 0.00 H ATOM 21 HE21 GLN A 9 -3.336 11.655 5.464 1.00 0.00 H ATOM 22 H GLN A 9 -5.272 13.708 10.807 1.00 0.00 H ATOM 23 N ASP A 10 -8.541 13.831 10.845 1.00 26.14 N ATOM 24 CA ASP A 10 -9.926 13.787 11.405 1.00 26.00 C ATOM 25 C ASP A 10 -10.915 13.159 10.398 1.00 22.98 C ATOM 26 O ASP A 10 -12.091 13.618 10.256 1.00 20.41 O ATOM 27 CB ASP A 10 -10.465 15.181 11.754 1.00 32.81 C ATOM 28 CG ASP A 10 -9.557 15.999 12.666 1.00 44.89 C ATOM 29 OD1 ASP A 10 -9.078 15.430 13.675 1.00 47.38 O ATOM 30 OD2 ASP A 10 -9.356 17.211 12.362 1.00 52.26 O ATOM 31 H ASP A 10 -7.790 13.331 11.362 1.00 0.00 H ATOM 32 N ASN A 11 -10.447 12.134 9.689 1.00 22.12 N ATOM 33 CA ASN A 11 -11.227 11.511 8.632 1.00 21.02 C ATOM 34 C ASN A 11 -12.553 10.946 9.180 1.00 21.31 C ATOM 35 O ASN A 11 -13.590 10.975 8.519 1.00 19.60 O ATOM 36 CB ASN A 11 -10.360 10.469 7.911 1.00 20.36 C ATOM 37 CG ASN A 11 -9.364 11.095 6.962 1.00 22.40 C ATOM 38 OD1 ASN A 11 -9.637 12.111 6.305 1.00 23.01 O ATOM 39 ND2 ASN A 11 -8.170 10.516 6.888 1.00 22.97 N ATOM 40 HD22 ASN A 11 -7.969 9.665 7.451 1.00 0.00 H ATOM 41 HD21 ASN A 11 -7.437 10.914 6.268 1.00 0.00 H ATOM 42 H ASN A 11 -9.496 11.768 9.897 1.00 0.00 H ATOM 43 N ARG A 12 -12.587 10.380 10.382 1.00 18.60 N ATOM 44 CA ARG A 12 -13.823 9.890 10.999 1.00 18.77 C ATOM 45 C ARG A 12 -14.941 10.947 11.118 1.00 17.87 C ATOM 46 O ARG A 12 -16.082 10.715 10.740 1.00 18.08 O ATOM 47 CB ARG A 12 -13.568 9.259 12.363 1.00 25.68 C ATOM 48 CG ARG A 12 -14.749 8.472 12.923 1.00 29.86 C ATOM 49 CD ARG A 12 -14.363 7.585 14.097 1.00 36.57 C ATOM 50 NE ARG A 12 -13.758 6.343 13.639 1.00 45.97 N ATOM 51 CZ ARG A 12 -12.463 6.175 13.375 1.00 49.43 C ATOM 52 NH1 ARG A 12 -11.532 6.832 14.058 1.00 51.53 N ATOM 53 NH2 ARG A 12 -12.114 5.373 12.391 1.00 38.02 N ATOM 54 HE ARG A 12 -14.385 5.524 13.508 1.00 0.00 H ATOM 55 HH12 ARG A 12 -10.526 6.687 13.837 1.00 0.00 H ATOM 56 HH11 ARG A 12 -11.809 7.491 14.813 1.00 0.00 H ATOM 57 HH22 ARG A 12 -11.108 5.229 12.169 1.00 0.00 H ATOM 58 HH21 ARG A 12 -12.844 4.884 11.835 1.00 0.00 H ATOM 59 H ARG A 12 -11.696 10.280 10.909 1.00 0.00 H ATOM 60 N GLU A 13 -14.672 12.114 11.675 1.00 18.28 N ATOM 61 CA GLU A 13 -15.673 13.131 11.813 1.00 17.16 C ATOM 62 C GLU A 13 -16.030 13.708 10.423 1.00 13.70 C ATOM 63 O GLU A 13 -17.192 14.049 10.185 1.00 13.55 O ATOM 64 CB GLU A 13 -15.192 14.255 12.726 1.00 20.76 C ATOM 65 CG GLU A 13 -16.104 15.461 12.765 1.00 27.09 C ATOM 66 CD GLU A 13 -15.492 16.667 12.081 1.00 31.42 C ATOM 67 OE1 GLU A 13 -14.988 16.481 10.988 1.00 45.05 O ATOM 68 OE2 GLU A 13 -15.404 17.776 12.698 1.00 39.17 O ATOM 69 H GLU A 13 -13.709 12.300 12.022 1.00 0.00 H ATOM 70 N ILE A 14 -15.085 13.713 9.475 1.00 13.50 N ATOM 71 CA ILE A 14 -15.408 14.155 8.098 1.00 12.68 C ATOM 72 C ILE A 14 -16.479 13.209 7.523 1.00 11.84 C ATOM 73 O ILE A 14 -17.464 13.642 6.927 1.00 10.80 O ATOM 74 CB ILE A 14 -14.178 14.234 7.191 1.00 15.14 C ATOM 75 CG1 ILE A 14 -13.222 15.336 7.610 1.00 18.67 C ATOM 76 CG2 ILE A 14 -14.577 14.457 5.751 1.00 16.49 C ATOM 77 CD1 ILE A 14 -11.889 15.312 6.901 1.00 19.23 C ATOM 78 H ILE A 14 -14.119 13.405 9.706 1.00 0.00 H ATOM 79 N VAL A 15 -16.349 11.911 7.722 1.00 11.32 N ATOM 80 CA VAL A 15 -17.307 10.950 7.254 1.00 10.58 C ATOM 81 C VAL A 15 -18.666 11.136 7.920 1.00 10.24 C ATOM 82 O VAL A 15 -19.671 11.113 7.234 1.00 11.38 O ATOM 83 CB VAL A 15 -16.785 9.514 7.425 1.00 11.47 C ATOM 84 CG1 VAL A 15 -17.868 8.450 7.199 1.00 11.80 C ATOM 85 CG2 VAL A 15 -15.598 9.251 6.517 1.00 11.81 C ATOM 86 H VAL A 15 -15.515 11.569 8.241 1.00 0.00 H ATOM 87 N MET A 16 -18.673 11.286 9.251 1.00 12.20 N ATOM 88 CA MET A 16 -19.943 11.354 9.945 1.00 14.39 C ATOM 89 C MET A 16 -20.737 12.588 9.531 1.00 12.98 C ATOM 90 O MET A 16 -21.925 12.528 9.285 1.00 14.90 O ATOM 91 CB MET A 16 -19.679 11.361 11.464 1.00 16.58 C ATOM 92 CG MET A 16 -18.917 10.164 11.957 1.00 20.01 C ATOM 93 SD MET A 16 -19.482 8.470 11.457 1.00 27.90 S ATOM 94 CE MET A 16 -17.892 7.644 11.322 1.00 29.07 C ATOM 95 H MET A 16 -17.779 11.353 9.779 1.00 0.00 H ATOM 96 N LYS A 17 -20.046 13.722 9.391 1.00 13.47 N ATOM 97 CA LYS A 17 -20.730 14.956 9.001 1.00 15.16 C ATOM 98 C LYS A 17 -21.244 14.823 7.571 1.00 13.52 C ATOM 99 O LYS A 17 -22.340 15.298 7.252 1.00 14.37 O ATOM 100 CB LYS A 17 -19.784 16.150 9.100 1.00 18.40 C ATOM 101 CG LYS A 17 -19.620 16.677 10.525 1.00 26.13 C ATOM 102 CD LYS A 17 -19.277 18.134 10.577 1.00 31.04 C ATOM 103 CE LYS A 17 -19.844 18.858 11.777 1.00 39.94 C ATOM 104 NZ LYS A 17 -20.919 19.804 11.382 1.00 43.86 N ATOM 105 HZ1 LYS A 17 -20.533 20.509 10.722 1.00 0.00 H ATOM 106 HZ2 LYS A 17 -21.688 19.279 10.919 1.00 0.00 H ATOM 107 HZ3 LYS A 17 -21.286 20.283 12.229 1.00 0.00 H ATOM 108 H LYS A 17 -19.020 13.728 9.559 1.00 0.00 H ATOM 109 N TYR A 18 -20.461 14.190 6.684 1.00 12.42 N ATOM 110 CA TYR A 18 -20.868 14.027 5.286 1.00 11.43 C ATOM 111 C TYR A 18 -22.127 13.144 5.179 1.00 11.52 C ATOM 112 O TYR A 18 -23.049 13.487 4.481 1.00 11.53 O ATOM 113 CB TYR A 18 -19.744 13.427 4.428 1.00 11.00 C ATOM 114 CG TYR A 18 -20.003 13.452 2.929 1.00 11.70 C ATOM 115 CD1 TYR A 18 -20.665 12.487 2.161 1.00 16.79 C ATOM 116 CD2 TYR A 18 -19.562 14.575 2.291 1.00 14.19 C ATOM 117 CE1 TYR A 18 -20.859 12.767 0.803 1.00 11.35 C ATOM 118 CE2 TYR A 18 -19.619 14.801 0.934 1.00 17.81 C ATOM 119 CZ TYR A 18 -20.359 13.926 0.199 1.00 14.11 C ATOM 120 OH TYR A 18 -20.507 14.191 -1.162 1.00 15.71 O ATOM 121 HH TYR A 18 -20.947 15.070 -1.280 1.00 0.00 H ATOM 122 H TYR A 18 -19.546 13.807 6.996 1.00 0.00 H ATOM 123 N ILE A 19 -22.144 11.990 5.864 1.00 11.99 N ATOM 124 CA ILE A 19 -23.257 11.045 5.759 1.00 12.92 C ATOM 125 C ILE A 19 -24.513 11.652 6.401 1.00 11.26 C ATOM 126 O ILE A 19 -25.564 11.548 5.811 1.00 11.63 O ATOM 127 CB ILE A 19 -22.855 9.702 6.419 1.00 12.35 C ATOM 128 CG1 ILE A 19 -21.774 8.999 5.581 1.00 12.95 C ATOM 129 CG2 ILE A 19 -24.069 8.830 6.685 1.00 13.77 C ATOM 130 CD1 ILE A 19 -22.111 8.750 4.079 1.00 17.19 C ATOM 131 H ILE A 19 -21.344 11.761 6.487 1.00 0.00 H ATOM 132 N SER A 20 -24.319 12.422 7.488 1.00 12.97 N ATOM 133 CA SER A 20 -25.449 13.110 8.102 1.00 14.21 C ATOM 134 C SER A 20 -26.095 14.061 7.079 1.00 13.32 C ATOM 135 O SER A 20 -27.347 14.142 6.952 1.00 15.92 O ATOM 136 CB SER A 20 -24.991 13.834 9.345 1.00 15.52 C ATOM 137 OG SER A 20 -26.118 14.489 9.908 1.00 20.40 O ATOM 138 HG SER A 20 -26.809 13.817 10.137 1.00 0.00 H ATOM 139 H SER A 20 -23.365 12.526 7.889 1.00 0.00 H ATOM 140 N TYR A 21 -25.264 14.796 6.350 1.00 12.93 N ATOM 141 CA TYR A 21 -25.762 15.733 5.347 1.00 12.88 C ATOM 142 C TYR A 21 -26.500 14.981 4.230 1.00 13.25 C ATOM 143 O TYR A 21 -27.619 15.344 3.784 1.00 13.54 O ATOM 144 CB TYR A 21 -24.610 16.569 4.793 1.00 12.67 C ATOM 145 CG TYR A 21 -24.924 17.412 3.585 1.00 13.39 C ATOM 146 CD1 TYR A 21 -25.605 18.604 3.719 1.00 15.78 C ATOM 147 CD2 TYR A 21 -24.405 17.144 2.331 1.00 12.41 C ATOM 148 CE1 TYR A 21 -25.838 19.434 2.628 1.00 15.49 C ATOM 149 CE2 TYR A 21 -24.644 17.921 1.211 1.00 13.51 C ATOM 150 CZ TYR A 21 -25.353 19.102 1.369 1.00 14.13 C ATOM 151 OH TYR A 21 -25.601 19.965 0.336 1.00 15.34 O ATOM 152 HH TYR A 21 -24.742 20.281 -0.042 1.00 0.00 H ATOM 153 H TYR A 21 -24.239 14.703 6.496 1.00 0.00 H ATOM 154 N LYS A 22 -25.915 13.906 3.670 1.00 12.57 N ATOM 155 CA LYS A 22 -26.564 13.177 2.611 1.00 12.22 C ATOM 156 C LYS A 22 -27.926 12.608 3.048 1.00 12.37 C ATOM 157 O LYS A 22 -28.903 12.604 2.260 1.00 13.10 O ATOM 158 CB LYS A 22 -25.678 12.070 2.018 1.00 11.71 C ATOM 159 CG LYS A 22 -24.315 12.555 1.500 1.00 11.06 C ATOM 160 CD LYS A 22 -24.338 13.816 0.611 1.00 11.60 C ATOM 161 CE LYS A 22 -24.956 13.562 -0.734 1.00 11.69 C ATOM 162 NZ LYS A 22 -24.939 14.838 -1.485 1.00 11.33 N ATOM 163 HZ1 LYS A 22 -25.486 15.553 -0.964 1.00 0.00 H ATOM 164 HZ2 LYS A 22 -23.957 15.162 -1.593 1.00 0.00 H ATOM 165 HZ3 LYS A 22 -25.362 14.692 -2.424 1.00 0.00 H ATOM 166 H LYS A 22 -24.981 13.597 4.007 1.00 0.00 H ATOM 167 N LEU A 23 -27.971 12.047 4.265 1.00 12.00 N ATOM 168 CA LEU A 23 -29.250 11.510 4.724 1.00 13.96 C ATOM 169 C LEU A 23 -30.283 12.631 4.974 1.00 14.22 C ATOM 170 O LEU A 23 -31.445 12.462 4.567 1.00 14.73 O ATOM 171 CB LEU A 23 -28.968 10.705 5.979 1.00 13.97 C ATOM 172 CG LEU A 23 -28.319 9.354 5.732 1.00 15.54 C ATOM 173 CD1 LEU A 23 -27.881 8.743 7.048 1.00 17.25 C ATOM 174 CD2 LEU A 23 -29.172 8.405 4.974 1.00 16.79 C ATOM 175 H LEU A 23 -27.122 11.996 4.864 1.00 0.00 H ATOM 176 N SER A 24 -29.822 13.759 5.454 1.00 14.18 N ATOM 177 CA SER A 24 -30.717 14.924 5.698 1.00 16.09 C ATOM 178 C SER A 24 -31.342 15.415 4.385 1.00 16.61 C ATOM 179 O SER A 24 -32.524 15.775 4.324 1.00 17.32 O ATOM 180 CB SER A 24 -29.998 16.020 6.413 1.00 17.54 C ATOM 181 OG SER A 24 -29.182 16.755 5.510 1.00 21.14 O ATOM 182 HG SER A 24 -28.516 16.148 5.100 1.00 0.00 H ATOM 183 H SER A 24 -28.808 13.843 5.670 1.00 0.00 H ATOM 184 N GLN A 25 -30.571 15.379 3.281 1.00 15.98 N ATOM 185 CA GLN A 25 -31.072 15.807 1.952 1.00 16.98 C ATOM 186 C GLN A 25 -32.233 14.927 1.492 1.00 17.09 C ATOM 187 O GLN A 25 -33.050 15.365 0.639 1.00 20.88 O ATOM 188 CB GLN A 25 -29.950 15.667 0.907 1.00 17.38 C ATOM 189 CG GLN A 25 -28.935 16.775 0.964 1.00 15.99 C ATOM 190 CD GLN A 25 -27.900 16.635 -0.138 1.00 16.11 C ATOM 191 OE1 GLN A 25 -27.443 15.513 -0.366 1.00 14.77 O ATOM 192 NE2 GLN A 25 -27.514 17.755 -0.755 1.00 14.60 N ATOM 193 HE22 GLN A 25 -27.951 18.664 -0.503 1.00 0.00 H ATOM 194 HE21 GLN A 25 -26.776 17.718 -1.487 1.00 0.00 H ATOM 195 H GLN A 25 -29.591 15.040 3.363 1.00 0.00 H ATOM 196 N ARG A 26 -32.322 13.673 1.945 1.00 16.44 N ATOM 197 CA ARG A 26 -33.379 12.752 1.581 1.00 17.71 C ATOM 198 C ARG A 26 -34.447 12.651 2.677 1.00 20.04 C ATOM 199 O ARG A 26 -35.302 11.782 2.596 1.00 24.87 O ATOM 200 CB ARG A 26 -32.841 11.349 1.329 1.00 17.03 C ATOM 201 CG ARG A 26 -31.636 11.308 0.415 1.00 15.61 C ATOM 202 CD ARG A 26 -31.841 11.895 -0.971 1.00 14.27 C ATOM 203 NE ARG A 26 -30.797 11.328 -1.829 1.00 12.78 N ATOM 204 CZ ARG A 26 -30.845 10.190 -2.545 1.00 13.05 C ATOM 205 NH1 ARG A 26 -31.990 9.557 -2.742 1.00 11.53 N ATOM 206 NH2 ARG A 26 -29.746 9.667 -3.100 1.00 12.49 N ATOM 207 HE ARG A 26 -29.912 11.871 -1.892 1.00 0.00 H ATOM 208 HH12 ARG A 26 -32.009 8.678 -3.298 1.00 0.00 H ATOM 209 HH11 ARG A 26 -32.871 9.938 -2.341 1.00 0.00 H ATOM 210 HH22 ARG A 26 -29.810 8.786 -3.649 1.00 0.00 H ATOM 211 HH21 ARG A 26 -28.828 10.141 -2.983 1.00 0.00 H ATOM 212 H ARG A 26 -31.587 13.338 2.600 1.00 0.00 H ATOM 213 N GLY A 27 -34.372 13.530 3.667 1.00 19.63 N ATOM 214 CA GLY A 27 -35.408 13.632 4.741 1.00 21.30 C ATOM 215 C GLY A 27 -35.192 12.699 5.910 1.00 27.42 C ATOM 216 O GLY A 27 -36.129 12.544 6.723 1.00 28.04 O ATOM 217 H GLY A 27 -33.558 14.176 3.698 1.00 0.00 H ATOM 218 N TYR A 28 -34.009 12.067 6.036 1.00 23.44 N ATOM 219 CA TYR A 28 -33.682 11.154 7.166 1.00 22.72 C ATOM 220 C TYR A 28 -32.737 11.826 8.167 1.00 26.65 C ATOM 221 O TYR A 28 -31.689 12.332 7.810 1.00 24.79 O ATOM 222 CB TYR A 28 -33.016 9.880 6.679 1.00 23.45 C ATOM 223 CG TYR A 28 -33.799 9.122 5.663 1.00 28.35 C ATOM 224 CD1 TYR A 28 -35.055 8.628 5.971 1.00 30.57 C ATOM 225 CD2 TYR A 28 -33.253 8.826 4.427 1.00 31.94 C ATOM 226 CE1 TYR A 28 -35.765 7.889 5.041 1.00 32.12 C ATOM 227 CE2 TYR A 28 -33.939 8.072 3.494 1.00 33.58 C ATOM 228 CZ TYR A 28 -35.197 7.602 3.818 1.00 34.07 C ATOM 229 OH TYR A 28 -35.860 6.851 2.911 1.00 44.82 O ATOM 230 HH TYR A 28 -35.332 6.039 2.707 1.00 0.00 H ATOM 231 H TYR A 28 -33.286 12.225 5.305 1.00 0.00 H ATOM 232 N GLU A 29 -33.093 11.793 9.458 1.00 29.60 N ATOM 233 CA GLU A 29 -32.264 12.294 10.565 1.00 29.60 C ATOM 234 C GLU A 29 -31.326 11.182 11.067 1.00 34.13 C ATOM 235 O GLU A 29 -31.759 10.115 11.446 1.00 36.94 O ATOM 236 CB GLU A 29 -33.187 12.778 11.691 1.00 32.39 C ATOM 237 H GLU A 29 -34.020 11.385 9.694 1.00 0.00 H ATOM 238 N TRP A 30 -30.019 11.431 11.035 1.00 31.28 N ATOM 239 CA TRP A 30 -28.998 10.496 11.557 1.00 33.03 C ATOM 240 C TRP A 30 -27.859 11.332 12.158 1.00 37.84 C ATOM 241 O TRP A 30 -27.416 12.303 11.506 1.00 40.60 O ATOM 242 CB TRP A 30 -28.483 9.563 10.442 1.00 28.19 C ATOM 243 CG TRP A 30 -27.407 8.586 10.837 1.00 24.99 C ATOM 244 CD1 TRP A 30 -27.578 7.316 11.315 1.00 23.81 C ATOM 245 CD2 TRP A 30 -25.974 8.777 10.726 1.00 21.98 C ATOM 246 NE1 TRP A 30 -26.363 6.749 11.586 1.00 23.73 N ATOM 247 CE2 TRP A 30 -25.350 7.607 11.185 1.00 21.21 C ATOM 248 CE3 TRP A 30 -25.146 9.801 10.237 1.00 21.39 C ATOM 249 CZ2 TRP A 30 -23.957 7.459 11.182 1.00 20.30 C ATOM 250 CZ3 TRP A 30 -23.777 9.671 10.276 1.00 20.84 C ATOM 251 CH2 TRP A 30 -23.181 8.503 10.737 1.00 20.87 C ATOM 252 HE1 TRP A 30 -26.221 5.817 12.025 1.00 0.00 H ATOM 253 H TRP A 30 -29.699 12.330 10.621 1.00 0.00 H ATOM 254 N ASP A 31 -27.394 10.941 13.354 1.00 43.94 N ATOM 255 CA ASP A 31 -26.115 11.398 14.011 1.00 47.64 C ATOM 256 C ASP A 31 -25.447 12.509 13.194 1.00 50.64 C ATOM 257 O ASP A 31 -25.569 13.696 13.512 1.00 54.86 O ATOM 258 CB ASP A 31 -25.135 10.236 14.237 1.00 43.26 C ATOM 259 H ASP A 31 -27.972 10.255 13.880 1.00 0.00 H TER 260 ASP A 31 ATOM 261 N THR A 46 -10.903 18.495 15.045 1.00 37.80 N ATOM 262 CA THR A 46 -11.698 18.066 13.935 1.00 37.98 C ATOM 263 C THR A 46 -11.583 19.155 12.860 1.00 30.46 C ATOM 264 O THR A 46 -10.934 20.160 13.095 1.00 32.10 O ATOM 265 CB THR A 46 -13.111 17.714 14.386 1.00 37.93 C ATOM 266 OG1 THR A 46 -13.758 18.841 14.975 1.00 42.17 O ATOM 267 CG2 THR A 46 -13.122 16.525 15.325 1.00 39.90 C ATOM 268 HG1 THR A 46 -13.810 19.574 14.312 1.00 0.00 H ATOM 269 HN3 THR A 46 -11.265 19.403 15.399 1.00 0.00 H ATOM 270 HN2 THR A 46 -9.916 18.610 14.739 1.00 0.00 H ATOM 271 HN1 THR A 46 -10.952 17.783 15.801 1.00 0.00 H ATOM 272 N GLU A 47 -12.067 18.892 11.637 1.00 24.90 N ATOM 273 CA GLU A 47 -11.819 19.856 10.554 1.00 20.06 C ATOM 274 C GLU A 47 -12.791 21.045 10.636 1.00 14.41 C ATOM 275 O GLU A 47 -13.897 21.053 11.194 1.00 16.18 O ATOM 276 CB GLU A 47 -11.930 19.184 9.172 1.00 21.24 C ATOM 277 CG GLU A 47 -10.876 18.136 8.898 1.00 25.50 C ATOM 278 CD GLU A 47 -9.490 18.501 8.392 1.00 27.41 C ATOM 279 OE1 GLU A 47 -9.230 19.685 8.115 1.00 27.59 O ATOM 280 OE2 GLU A 47 -8.616 17.560 8.289 1.00 31.40 O ATOM 281 H GLU A 47 -12.608 18.022 11.458 1.00 0.00 H ATOM 282 N SER A 48 -12.327 22.123 9.979 1.00 13.96 N ATOM 283 CA SER A 48 -13.067 23.355 9.778 1.00 13.58 C ATOM 284 C SER A 48 -14.332 23.103 8.978 1.00 13.25 C ATOM 285 O SER A 48 -14.299 22.294 8.014 1.00 12.53 O ATOM 286 CB SER A 48 -12.236 24.349 9.034 1.00 12.87 C ATOM 287 OG SER A 48 -12.941 25.533 8.738 1.00 14.98 O ATOM 288 HG SER A 48 -13.240 25.957 9.581 1.00 0.00 H ATOM 289 H SER A 48 -11.366 22.070 9.586 1.00 0.00 H ATOM 290 N GLU A 49 -15.349 23.869 9.234 1.00 13.65 N ATOM 291 CA GLU A 49 -16.535 23.948 8.375 1.00 14.12 C ATOM 292 C GLU A 49 -16.130 24.275 6.928 1.00 12.67 C ATOM 293 O GLU A 49 -16.822 23.905 5.961 1.00 12.72 O ATOM 294 CB GLU A 49 -17.498 25.017 8.907 1.00 15.77 C ATOM 295 CG GLU A 49 -18.871 24.962 8.298 1.00 23.27 C ATOM 296 CD GLU A 49 -19.689 23.679 8.526 1.00 26.46 C ATOM 297 OE1 GLU A 49 -19.215 22.726 9.192 1.00 31.86 O ATOM 298 OE2 GLU A 49 -20.808 23.664 8.008 1.00 35.22 O ATOM 299 H GLU A 49 -15.321 24.456 10.092 1.00 0.00 H ATOM 300 N VAL A 92 -15.059 25.000 6.715 1.00 11.92 N ATOM 301 CA VAL A 92 -14.593 25.307 5.381 1.00 11.64 C ATOM 302 C VAL A 92 -14.320 24.002 4.645 1.00 11.29 C ATOM 303 O VAL A 92 -14.685 23.835 3.442 1.00 11.29 O ATOM 304 CB VAL A 92 -13.347 26.187 5.379 1.00 11.66 C ATOM 305 CG1 VAL A 92 -12.760 26.363 4.012 1.00 14.00 C ATOM 306 CG2 VAL A 92 -13.665 27.542 6.015 1.00 13.02 C ATOM 307 H VAL A 92 -14.528 25.366 7.531 1.00 0.00 H ATOM 308 N VAL A 93 -13.685 23.019 5.271 1.00 10.22 N ATOM 309 CA VAL A 93 -13.462 21.683 4.638 1.00 10.61 C ATOM 310 C VAL A 93 -14.794 20.964 4.465 1.00 10.71 C ATOM 311 O VAL A 93 -15.116 20.435 3.373 1.00 10.07 O ATOM 312 CB VAL A 93 -12.437 20.835 5.418 1.00 10.28 C ATOM 313 CG1 VAL A 93 -12.432 19.399 4.961 1.00 11.21 C ATOM 314 CG2 VAL A 93 -11.036 21.391 5.326 1.00 11.44 C ATOM 315 H VAL A 93 -13.330 23.184 6.235 1.00 0.00 H ATOM 316 N HIS A 94 -15.628 20.858 5.520 1.00 10.39 N ATOM 317 CA HIS A 94 -16.867 20.108 5.425 1.00 10.61 C ATOM 318 C HIS A 94 -17.738 20.671 4.314 1.00 10.97 C ATOM 319 O HIS A 94 -18.373 19.879 3.538 1.00 10.43 O ATOM 320 CB HIS A 94 -17.633 20.115 6.755 1.00 11.85 C ATOM 321 CG HIS A 94 -16.848 19.490 7.864 1.00 13.58 C ATOM 322 ND1 HIS A 94 -16.381 18.157 7.817 1.00 14.76 N ATOM 323 CD2 HIS A 94 -16.432 19.998 9.050 1.00 14.34 C ATOM 324 CE1 HIS A 94 -15.762 17.887 8.948 1.00 15.44 C ATOM 325 NE2 HIS A 94 -15.800 19.001 9.732 1.00 16.05 N ATOM 326 H HIS A 94 -15.379 21.322 6.417 1.00 0.00 H ATOM 327 N GLN A 95 -17.870 22.013 4.224 1.00 10.30 N ATOM 328 CA GLN A 95 -18.764 22.572 3.217 1.00 10.40 C ATOM 329 C GLN A 95 -18.171 22.453 1.814 1.00 10.00 C ATOM 330 O GLN A 95 -18.914 22.171 0.851 1.00 9.73 O ATOM 331 CB GLN A 95 -19.115 24.004 3.581 1.00 11.88 C ATOM 332 CG GLN A 95 -19.973 24.083 4.838 1.00 15.90 C ATOM 333 CD GLN A 95 -20.754 25.369 4.970 1.00 21.90 C ATOM 334 OE1 GLN A 95 -20.991 26.062 3.978 1.00 24.34 O ATOM 335 NE2 GLN A 95 -21.077 25.695 6.224 1.00 29.04 N ATOM 336 HE22 GLN A 95 -20.840 25.052 7.006 1.00 0.00 H ATOM 337 HE21 GLN A 95 -21.566 26.592 6.419 1.00 0.00 H ATOM 338 H GLN A 95 -17.341 22.639 4.865 1.00 0.00 H ATOM 339 N THR A 96 -16.866 22.587 1.693 1.00 9.57 N ATOM 340 CA THR A 96 -16.246 22.430 0.373 1.00 9.14 C ATOM 341 C THR A 96 -16.422 20.998 -0.135 1.00 9.74 C ATOM 342 O THR A 96 -16.750 20.791 -1.316 1.00 9.87 O ATOM 343 CB THR A 96 -14.774 22.802 0.354 1.00 9.52 C ATOM 344 OG1 THR A 96 -14.667 24.188 0.733 1.00 10.64 O ATOM 345 CG2 THR A 96 -14.128 22.668 -1.012 1.00 11.50 C ATOM 346 HG1 THR A 96 -15.042 24.310 1.641 1.00 0.00 H ATOM 347 H THR A 96 -16.281 22.802 2.526 1.00 0.00 H ATOM 348 N LEU A 97 -16.290 19.982 0.734 1.00 8.95 N ATOM 349 CA LEU A 97 -16.486 18.615 0.381 1.00 9.50 C ATOM 350 C LEU A 97 -17.930 18.370 0.013 1.00 9.49 C ATOM 351 O LEU A 97 -18.174 17.710 -1.007 1.00 10.31 O ATOM 352 CB LEU A 97 -16.002 17.713 1.517 1.00 9.90 C ATOM 353 CG LEU A 97 -16.209 16.212 1.312 1.00 10.29 C ATOM 354 CD1 LEU A 97 -15.472 15.726 0.072 1.00 12.35 C ATOM 355 CD2 LEU A 97 -15.705 15.448 2.538 1.00 11.92 C ATOM 356 H LEU A 97 -16.031 20.205 1.716 1.00 0.00 H ATOM 357 N ARG A 98 -18.876 18.835 0.797 1.00 10.29 N ATOM 358 CA ARG A 98 -20.236 18.487 0.439 1.00 13.04 C ATOM 359 C ARG A 98 -20.663 19.205 -0.843 1.00 10.93 C ATOM 360 O ARG A 98 -21.409 18.630 -1.650 1.00 10.74 O ATOM 361 CB ARG A 98 -21.181 18.588 1.610 1.00 17.60 C ATOM 362 CG ARG A 98 -21.541 20.009 1.880 1.00 15.07 C ATOM 363 CD ARG A 98 -22.189 20.029 3.291 1.00 19.09 C ATOM 364 NE ARG A 98 -22.701 21.371 3.447 1.00 22.66 N ATOM 365 CZ ARG A 98 -23.149 21.837 4.596 1.00 30.90 C ATOM 366 NH1 ARG A 98 -23.008 21.097 5.682 1.00 34.38 N ATOM 367 NH2 ARG A 98 -23.746 23.017 4.632 1.00 30.62 N ATOM 368 HE ARG A 98 -22.717 21.997 2.617 1.00 0.00 H ATOM 369 HH12 ARG A 98 -23.355 21.447 6.598 1.00 0.00 H ATOM 370 HH11 ARG A 98 -22.550 20.165 5.620 1.00 0.00 H ATOM 371 HH22 ARG A 98 -24.102 23.392 5.534 1.00 0.00 H ATOM 372 HH21 ARG A 98 -23.859 23.570 3.758 1.00 0.00 H ATOM 373 H ARG A 98 -18.660 19.421 1.629 1.00 0.00 H ATOM 374 N GLN A 99 -20.202 20.426 -1.077 1.00 9.79 N ATOM 375 CA GLN A 99 -20.517 21.124 -2.316 1.00 10.40 C ATOM 376 C GLN A 99 -19.893 20.374 -3.509 1.00 9.49 C ATOM 377 O GLN A 99 -20.500 20.251 -4.592 1.00 10.11 O ATOM 378 CB GLN A 99 -20.111 22.598 -2.259 1.00 12.43 C ATOM 379 CG GLN A 99 -21.043 23.361 -1.337 1.00 17.30 C ATOM 380 CD GLN A 99 -20.510 24.655 -0.763 1.00 23.27 C ATOM 381 OE1 GLN A 99 -19.507 25.183 -1.213 1.00 22.71 O ATOM 382 NE2 GLN A 99 -21.078 25.047 0.370 1.00 34.97 N ATOM 383 HE22 GLN A 99 -21.933 24.567 0.716 1.00 0.00 H ATOM 384 HE21 GLN A 99 -20.668 25.834 0.912 1.00 0.00 H ATOM 385 H GLN A 99 -19.606 20.893 -0.364 1.00 0.00 H ATOM 386 N ALA A 100 -18.652 19.930 -3.393 1.00 9.70 N ATOM 387 CA ALA A 100 -17.991 19.176 -4.463 1.00 8.85 C ATOM 388 C ALA A 100 -18.759 17.893 -4.729 1.00 8.67 C ATOM 389 O ALA A 100 -18.885 17.485 -5.901 1.00 8.52 O ATOM 390 CB ALA A 100 -16.558 18.821 -4.052 1.00 8.98 C ATOM 391 H ALA A 100 -18.129 20.122 -2.515 1.00 0.00 H ATOM 392 N GLY A 101 -19.230 17.199 -3.676 1.00 8.78 N ATOM 393 CA GLY A 101 -19.966 15.974 -3.893 1.00 8.35 C ATOM 394 C GLY A 101 -21.302 16.190 -4.564 1.00 8.76 C ATOM 395 O GLY A 101 -21.719 15.400 -5.460 1.00 8.79 O ATOM 396 H GLY A 101 -19.065 17.543 -2.709 1.00 0.00 H ATOM 397 N ASP A 102 -21.991 17.238 -4.162 1.00 8.55 N ATOM 398 CA ASP A 102 -23.283 17.576 -4.839 1.00 8.71 C ATOM 399 C ASP A 102 -22.957 17.847 -6.289 1.00 9.36 C ATOM 400 O ASP A 102 -23.697 17.377 -7.195 1.00 10.04 O ATOM 401 CB ASP A 102 -23.924 18.817 -4.192 1.00 9.65 C ATOM 402 CG ASP A 102 -24.606 18.590 -2.862 1.00 11.35 C ATOM 403 OD1 ASP A 102 -25.180 17.490 -2.649 1.00 11.84 O ATOM 404 OD2 ASP A 102 -24.611 19.567 -2.039 1.00 13.03 O ATOM 405 H ASP A 102 -21.640 17.827 -3.380 1.00 0.00 H ATOM 406 N ASP A 103 -21.895 18.598 -6.576 1.00 9.74 N ATOM 407 CA ASP A 103 -21.543 18.957 -7.947 1.00 10.84 C ATOM 408 C ASP A 103 -21.102 17.721 -8.750 1.00 10.29 C ATOM 409 O ASP A 103 -21.491 17.573 -9.931 1.00 11.03 O ATOM 410 CB ASP A 103 -20.456 20.026 -7.975 1.00 12.01 C ATOM 411 CG ASP A 103 -20.920 21.364 -7.458 1.00 19.51 C ATOM 412 OD1 ASP A 103 -22.171 21.574 -7.369 1.00 25.94 O ATOM 413 OD2 ASP A 103 -19.979 22.210 -7.170 1.00 31.27 O ATOM 414 H ASP A 103 -21.296 18.940 -5.797 1.00 0.00 H ATOM 415 N PHE A 104 -20.293 16.824 -8.159 1.00 9.32 N ATOM 416 CA PHE A 104 -19.919 15.575 -8.783 1.00 9.99 C ATOM 417 C PHE A 104 -21.151 14.836 -9.264 1.00 9.77 C ATOM 418 O PHE A 104 -21.216 14.375 -10.431 1.00 10.11 O ATOM 419 CB PHE A 104 -19.138 14.671 -7.811 1.00 9.26 C ATOM 420 CG PHE A 104 -18.976 13.273 -8.328 1.00 9.29 C ATOM 421 CD1 PHE A 104 -17.981 12.953 -9.221 1.00 9.75 C ATOM 422 CD2 PHE A 104 -19.871 12.263 -7.985 1.00 10.34 C ATOM 423 CE1 PHE A 104 -17.886 11.658 -9.700 1.00 11.50 C ATOM 424 CE2 PHE A 104 -19.763 10.974 -8.467 1.00 10.28 C ATOM 425 CZ PHE A 104 -18.764 10.668 -9.345 1.00 10.91 C ATOM 426 H PHE A 104 -19.920 17.038 -7.212 1.00 0.00 H ATOM 427 N SER A 105 -22.149 14.684 -8.402 1.00 9.71 N ATOM 428 CA SER A 105 -23.244 13.796 -8.788 1.00 9.37 C ATOM 429 C SER A 105 -24.190 14.473 -9.800 1.00 9.84 C ATOM 430 O SER A 105 -24.796 13.731 -10.590 1.00 11.59 O ATOM 431 CB SER A 105 -23.921 13.268 -7.552 1.00 8.96 C ATOM 432 OG SER A 105 -23.059 12.295 -6.930 1.00 7.51 O ATOM 433 HG SER A 105 -23.496 11.942 -6.115 1.00 0.00 H ATOM 434 H SER A 105 -22.152 15.178 -7.487 1.00 0.00 H ATOM 435 N LEU A 106 -24.178 15.817 -9.866 1.00 10.25 N ATOM 436 CA LEU A 106 -24.937 16.531 -10.933 1.00 11.92 C ATOM 437 C LEU A 106 -24.148 16.573 -12.228 1.00 14.44 C ATOM 438 O LEU A 106 -24.775 16.899 -13.232 1.00 20.33 O ATOM 439 CB LEU A 106 -25.267 17.921 -10.406 1.00 13.95 C ATOM 440 CG LEU A 106 -26.374 17.934 -9.372 1.00 14.26 C ATOM 441 CD1 LEU A 106 -26.429 19.231 -8.579 1.00 15.27 C ATOM 442 CD2 LEU A 106 -27.719 17.653 -10.043 1.00 14.97 C ATOM 443 H LEU A 106 -23.635 16.363 -9.167 1.00 0.00 H ATOM 444 N ARG A 107 -22.822 16.426 -12.228 1.00 11.98 N ATOM 445 CA ARG A 107 -22.032 16.340 -13.417 1.00 12.52 C ATOM 446 C ARG A 107 -22.004 14.931 -13.977 1.00 14.46 C ATOM 447 O ARG A 107 -22.017 14.774 -15.238 1.00 18.05 O ATOM 448 CB ARG A 107 -20.600 16.798 -13.108 1.00 14.99 C ATOM 449 CG ARG A 107 -20.417 18.282 -12.928 1.00 20.21 C ATOM 450 CD ARG A 107 -18.972 18.607 -12.627 1.00 27.31 C ATOM 451 NE ARG A 107 -18.701 20.032 -12.643 1.00 29.34 N ATOM 452 CZ ARG A 107 -17.744 20.548 -13.401 1.00 36.13 C ATOM 453 NH1 ARG A 107 -17.092 19.748 -14.224 1.00 43.53 N ATOM 454 NH2 ARG A 107 -17.389 21.812 -13.272 1.00 40.54 N ATOM 455 HE ARG A 107 -19.271 20.664 -12.045 1.00 0.00 H ATOM 456 HH12 ARG A 107 -16.337 20.128 -14.829 1.00 0.00 H ATOM 457 HH11 ARG A 107 -17.334 18.737 -14.267 1.00 0.00 H ATOM 458 HH22 ARG A 107 -16.637 22.205 -13.873 1.00 0.00 H ATOM 459 HH21 ARG A 107 -17.862 22.416 -12.569 1.00 0.00 H ATOM 460 H ARG A 107 -22.335 16.371 -11.311 1.00 0.00 H ATOM 461 N TYR A 108 -21.933 13.910 -13.131 1.00 11.41 N ATOM 462 CA TYR A 108 -21.857 12.494 -13.463 1.00 11.63 C ATOM 463 C TYR A 108 -23.186 11.839 -13.074 1.00 11.92 C ATOM 464 O TYR A 108 -23.217 10.815 -12.408 1.00 11.76 O ATOM 465 CB TYR A 108 -20.595 11.824 -12.884 1.00 12.17 C ATOM 466 CG TYR A 108 -19.350 12.426 -13.456 1.00 12.80 C ATOM 467 CD1 TYR A 108 -18.848 12.050 -14.687 1.00 15.15 C ATOM 468 CD2 TYR A 108 -18.752 13.500 -12.829 1.00 13.48 C ATOM 469 CE1 TYR A 108 -17.727 12.659 -15.207 1.00 14.65 C ATOM 470 CE2 TYR A 108 -17.624 14.128 -13.350 1.00 14.38 C ATOM 471 CZ TYR A 108 -17.141 13.717 -14.572 1.00 14.54 C ATOM 472 OH TYR A 108 -16.060 14.392 -15.098 1.00 17.51 O ATOM 473 HH TYR A 108 -15.292 14.317 -14.478 1.00 0.00 H ATOM 474 H TYR A 108 -21.931 14.148 -12.119 1.00 0.00 H ATOM 475 N ARG A 109 -24.279 12.393 -13.593 1.00 12.74 N ATOM 476 CA ARG A 109 -25.630 11.980 -13.184 1.00 13.60 C ATOM 477 C ARG A 109 -25.925 10.539 -13.610 1.00 12.24 C ATOM 478 O ARG A 109 -26.566 9.816 -12.902 1.00 11.39 O ATOM 479 CB ARG A 109 -26.697 12.890 -13.801 1.00 14.95 C ATOM 480 CG ARG A 109 -26.557 14.337 -13.399 1.00 16.84 C ATOM 481 CD ARG A 109 -27.753 15.075 -14.011 1.00 16.16 C ATOM 482 NE ARG A 109 -27.387 16.430 -13.854 1.00 16.40 N ATOM 483 CZ ARG A 109 -28.196 17.450 -13.990 1.00 16.50 C ATOM 484 NH1 ARG A 109 -29.468 17.201 -14.202 1.00 15.52 N ATOM 485 NH2 ARG A 109 -27.804 18.731 -13.847 1.00 20.28 N ATOM 486 HE ARG A 109 -26.396 16.633 -13.611 1.00 0.00 H ATOM 487 HH12 ARG A 109 -30.140 17.987 -14.315 1.00 0.00 H ATOM 488 HH11 ARG A 109 -29.803 16.218 -14.257 1.00 0.00 H ATOM 489 HH22 ARG A 109 -28.492 19.502 -13.967 1.00 0.00 H ATOM 490 HH21 ARG A 109 -26.814 18.949 -13.617 1.00 0.00 H ATOM 491 H ARG A 109 -24.175 13.140 -14.309 1.00 0.00 H ATOM 492 N ARG A 110 -25.526 10.176 -14.845 1.00 13.22 N ATOM 493 CA ARG A 110 -25.758 8.833 -15.306 1.00 14.24 C ATOM 494 C ARG A 110 -25.042 7.816 -14.404 1.00 13.34 C ATOM 495 O ARG A 110 -25.637 6.823 -14.030 1.00 13.77 O ATOM 496 CB ARG A 110 -25.331 8.660 -16.773 1.00 16.73 C ATOM 497 CG ARG A 110 -25.609 7.272 -17.336 1.00 21.01 C ATOM 498 CD ARG A 110 -25.231 7.181 -18.839 1.00 25.64 C ATOM 499 NE ARG A 110 -25.780 8.277 -19.647 1.00 31.09 N ATOM 500 CZ ARG A 110 -25.156 8.823 -20.692 1.00 35.60 C ATOM 501 NH1 ARG A 110 -25.670 9.865 -21.329 1.00 44.11 N ATOM 502 NH2 ARG A 110 -24.020 8.301 -21.111 1.00 37.17 N ATOM 503 HE ARG A 110 -26.715 8.652 -19.388 1.00 0.00 H ATOM 504 HH12 ARG A 110 -25.169 10.277 -22.142 1.00 0.00 H ATOM 505 HH11 ARG A 110 -26.575 10.271 -21.016 1.00 0.00 H ATOM 506 HH22 ARG A 110 -23.525 8.718 -21.925 1.00 0.00 H ATOM 507 HH21 ARG A 110 -23.619 7.472 -20.628 1.00 0.00 H ATOM 508 H ARG A 110 -25.052 10.865 -15.463 1.00 0.00 H ATOM 509 N ASP A 111 -23.799 8.104 -14.045 1.00 13.08 N ATOM 510 CA ASP A 111 -23.023 7.220 -13.160 1.00 13.44 C ATOM 511 C ASP A 111 -23.704 7.100 -11.777 1.00 12.34 C ATOM 512 O ASP A 111 -23.782 6.037 -11.175 1.00 12.07 O ATOM 513 CB ASP A 111 -21.588 7.678 -13.031 1.00 14.96 C ATOM 514 CG ASP A 111 -20.767 7.527 -14.301 1.00 19.25 C ATOM 515 OD1 ASP A 111 -21.192 6.709 -15.188 1.00 22.75 O ATOM 516 OD2 ASP A 111 -19.815 8.269 -14.450 1.00 21.33 O ATOM 517 H ASP A 111 -23.360 8.978 -14.398 1.00 0.00 H ATOM 518 N PHE A 112 -24.135 8.250 -11.228 1.00 11.46 N ATOM 519 CA PHE A 112 -24.803 8.310 -9.940 1.00 11.06 C ATOM 520 C PHE A 112 -26.049 7.431 -9.948 1.00 11.32 C ATOM 521 O PHE A 112 -26.331 6.639 -9.036 1.00 11.07 O ATOM 522 CB PHE A 112 -25.113 9.770 -9.574 1.00 12.26 C ATOM 523 CG PHE A 112 -25.968 9.915 -8.347 1.00 12.47 C ATOM 524 CD1 PHE A 112 -27.358 9.816 -8.392 1.00 13.71 C ATOM 525 CD2 PHE A 112 -25.358 10.150 -7.099 1.00 12.76 C ATOM 526 CE1 PHE A 112 -28.124 9.909 -7.228 1.00 15.63 C ATOM 527 CE2 PHE A 112 -26.147 10.270 -5.967 1.00 14.69 C ATOM 528 CZ PHE A 112 -27.502 10.153 -6.037 1.00 15.63 C ATOM 529 H PHE A 112 -23.983 9.137 -11.750 1.00 0.00 H ATOM 530 N ALA A 113 -26.870 7.618 -10.983 1.00 11.62 N ATOM 531 CA ALA A 113 -28.101 6.883 -11.115 1.00 12.47 C ATOM 532 C ALA A 113 -27.894 5.379 -11.349 1.00 12.62 C ATOM 533 O ALA A 113 -28.608 4.606 -10.729 1.00 12.63 O ATOM 534 CB ALA A 113 -28.907 7.478 -12.272 1.00 12.55 C ATOM 535 H ALA A 113 -26.614 8.313 -11.713 1.00 0.00 H ATOM 536 N GLU A 114 -26.931 5.022 -12.175 1.00 12.94 N ATOM 537 CA GLU A 114 -26.571 3.621 -12.383 1.00 15.21 C ATOM 538 C GLU A 114 -26.110 2.988 -11.070 1.00 16.23 C ATOM 539 O GLU A 114 -26.559 1.912 -10.693 1.00 15.50 O ATOM 540 CB GLU A 114 -25.508 3.507 -13.465 1.00 18.33 C ATOM 541 CG GLU A 114 -25.285 2.071 -13.890 1.00 23.20 C ATOM 542 CD GLU A 114 -24.377 2.007 -15.101 1.00 31.67 C ATOM 543 OE1 GLU A 114 -23.779 3.061 -15.456 1.00 38.06 O ATOM 544 OE2 GLU A 114 -24.317 0.920 -15.727 1.00 41.07 O ATOM 545 H GLU A 114 -26.412 5.759 -12.694 1.00 0.00 H ATOM 546 N MET A 115 -25.225 3.690 -10.338 1.00 13.93 N ATOM 547 CA MET A 115 -24.771 3.111 -9.077 1.00 14.48 C ATOM 548 C MET A 115 -25.917 2.931 -8.098 1.00 15.07 C ATOM 549 O MET A 115 -26.041 1.881 -7.461 1.00 15.95 O ATOM 550 CB MET A 115 -23.729 4.050 -8.474 1.00 14.61 C ATOM 551 CG MET A 115 -23.104 3.557 -7.177 1.00 15.28 C ATOM 552 SD MET A 115 -22.158 2.014 -7.333 1.00 16.51 S ATOM 553 CE MET A 115 -20.677 2.693 -8.074 1.00 17.49 C ATOM 554 H MET A 115 -24.876 4.615 -10.660 1.00 0.00 H ATOM 555 N SER A 116 -26.818 3.907 -7.999 1.00 14.32 N ATOM 556 CA SER A 116 -27.961 3.881 -7.102 1.00 15.14 C ATOM 557 C SER A 116 -28.894 2.701 -7.434 1.00 18.01 C ATOM 558 O SER A 116 -29.473 2.069 -6.529 1.00 22.19 O ATOM 559 CB SER A 116 -28.713 5.205 -7.185 1.00 14.78 C ATOM 560 OG SER A 116 -27.927 6.312 -6.728 1.00 15.44 O ATOM 561 HG SER A 116 -27.112 6.388 -7.284 1.00 0.00 H ATOM 562 H SER A 116 -26.695 4.744 -8.604 1.00 0.00 H ATOM 563 N SER A 117 -28.986 2.398 -8.718 1.00 17.23 N ATOM 564 CA SER A 117 -29.920 1.378 -9.248 1.00 18.47 C ATOM 565 C SER A 117 -29.349 -0.021 -9.090 1.00 20.37 C ATOM 566 O SER A 117 -30.112 -0.942 -8.910 1.00 22.65 O ATOM 567 CB SER A 117 -30.112 1.650 -10.687 1.00 21.72 C ATOM 568 OG SER A 117 -30.932 2.749 -10.826 1.00 32.97 O ATOM 569 HG SER A 117 -30.510 3.531 -10.390 1.00 0.00 H ATOM 570 H SER A 117 -28.372 2.901 -9.389 1.00 0.00 H ATOM 571 N GLN A 118 -28.054 -0.185 -9.310 1.00 20.78 N ATOM 572 CA GLN A 118 -27.460 -1.530 -9.460 1.00 22.72 C ATOM 573 C GLN A 118 -26.895 -2.042 -8.149 1.00 24.44 C ATOM 574 O GLN A 118 -26.556 -3.193 -8.098 1.00 25.03 O ATOM 575 CB GLN A 118 -26.369 -1.538 -10.540 1.00 27.28 C ATOM 576 CG GLN A 118 -26.925 -1.259 -11.934 1.00 34.55 C ATOM 577 CD GLN A 118 -28.027 -2.209 -12.339 1.00 46.86 C ATOM 578 OE1 GLN A 118 -29.103 -1.790 -12.770 1.00 58.44 O ATOM 579 NE2 GLN A 118 -27.791 -3.501 -12.151 1.00 51.81 N ATOM 580 HE22 GLN A 118 -26.869 -3.813 -11.785 1.00 0.00 H ATOM 581 HE21 GLN A 118 -28.528 -4.201 -12.369 1.00 0.00 H ATOM 582 H GLN A 118 -27.440 0.652 -9.379 1.00 0.00 H ATOM 583 N LEU A 119 -26.852 -1.236 -7.091 1.00 22.90 N ATOM 584 CA LEU A 119 -26.520 -1.768 -5.801 1.00 26.58 C ATOM 585 C LEU A 119 -27.690 -2.652 -5.380 1.00 28.77 C ATOM 586 O LEU A 119 -28.857 -2.234 -5.450 1.00 38.68 O ATOM 587 CB LEU A 119 -26.292 -0.648 -4.776 1.00 29.71 C ATOM 588 CG LEU A 119 -24.903 -0.018 -4.809 1.00 31.93 C ATOM 589 CD1 LEU A 119 -24.906 1.330 -4.106 1.00 34.12 C ATOM 590 CD2 LEU A 119 -23.861 -0.947 -4.214 1.00 33.33 C ATOM 591 H LEU A 119 -27.059 -0.223 -7.199 1.00 0.00 H ATOM 592 N HIS A 120 -27.351 -3.871 -4.996 1.00 27.80 N ATOM 593 CA HIS A 120 -28.280 -4.819 -4.482 1.00 27.82 C ATOM 594 C HIS A 120 -27.806 -5.174 -3.081 1.00 24.36 C ATOM 595 O HIS A 120 -27.116 -6.140 -2.909 1.00 32.57 O ATOM 596 CB HIS A 120 -28.356 -6.062 -5.384 1.00 32.26 C ATOM 597 CG HIS A 120 -28.893 -5.751 -6.742 1.00 41.09 C ATOM 598 ND1 HIS A 120 -28.070 -5.586 -7.840 1.00 46.12 N ATOM 599 CD2 HIS A 120 -30.151 -5.483 -7.159 1.00 46.99 C ATOM 600 CE1 HIS A 120 -28.803 -5.267 -8.889 1.00 44.40 C ATOM 601 NE2 HIS A 120 -30.090 -5.201 -8.494 1.00 48.87 N ATOM 602 H HIS A 120 -26.353 -4.152 -5.074 1.00 0.00 H ATOM 603 N LEU A 121 -28.156 -4.338 -2.140 1.00 20.66 N ATOM 604 CA LEU A 121 -27.596 -4.421 -0.764 1.00 18.40 C ATOM 605 C LEU A 121 -28.306 -5.516 0.004 1.00 18.21 C ATOM 606 O LEU A 121 -29.570 -5.559 0.040 1.00 21.07 O ATOM 607 CB LEU A 121 -27.870 -3.130 -0.004 1.00 20.14 C ATOM 608 CG LEU A 121 -27.104 -1.912 -0.508 1.00 24.48 C ATOM 609 CD1 LEU A 121 -27.427 -0.723 0.379 1.00 30.37 C ATOM 610 CD2 LEU A 121 -25.615 -2.162 -0.557 1.00 24.34 C ATOM 611 H LEU A 121 -28.847 -3.592 -2.359 1.00 0.00 H ATOM 612 N THR A 122 -27.507 -6.293 0.757 1.00 15.09 N ATOM 613 CA THR A 122 -27.995 -7.065 1.879 1.00 15.74 C ATOM 614 C THR A 122 -26.957 -6.887 2.975 1.00 15.54 C ATOM 615 O THR A 122 -25.794 -6.561 2.681 1.00 14.56 O ATOM 616 CB THR A 122 -28.107 -8.558 1.564 1.00 18.22 C ATOM 617 OG1 THR A 122 -26.830 -9.163 1.401 1.00 17.35 O ATOM 618 CG2 THR A 122 -28.887 -8.855 0.299 1.00 20.04 C ATOM 619 HG1 THR A 122 -26.351 -8.723 0.655 1.00 0.00 H ATOM 620 H THR A 122 -26.495 -6.341 0.523 1.00 0.00 H ATOM 621 N PRO A 123 -27.283 -7.102 4.258 1.00 15.33 N ATOM 622 CA PRO A 123 -26.254 -6.989 5.280 1.00 13.84 C ATOM 623 C PRO A 123 -24.985 -7.820 5.084 1.00 13.38 C ATOM 624 O PRO A 123 -23.894 -7.329 5.328 1.00 12.92 O ATOM 625 CB PRO A 123 -27.023 -7.333 6.580 1.00 14.80 C ATOM 626 CG PRO A 123 -28.452 -6.911 6.270 1.00 16.57 C ATOM 627 CD PRO A 123 -28.627 -7.350 4.838 1.00 16.28 C ATOM 628 N GLY A 124 -25.111 -9.048 4.586 1.00 12.24 N ATOM 629 CA GLY A 124 -24.051 -9.951 4.439 1.00 12.56 C ATOM 630 C GLY A 124 -23.200 -9.712 3.204 1.00 12.52 C ATOM 631 O GLY A 124 -22.154 -10.306 3.065 1.00 12.93 O ATOM 632 H GLY A 124 -26.058 -9.357 4.287 1.00 0.00 H ATOM 633 N THR A 125 -23.680 -8.903 2.252 1.00 13.54 N ATOM 634 CA THR A 125 -22.920 -8.688 1.029 1.00 13.51 C ATOM 635 C THR A 125 -22.523 -7.203 0.864 1.00 12.59 C ATOM 636 O THR A 125 -21.718 -6.885 -0.083 1.00 11.66 O ATOM 637 CB THR A 125 -23.709 -9.133 -0.208 1.00 14.53 C ATOM 638 OG1 THR A 125 -24.877 -8.347 -0.351 1.00 14.23 O ATOM 639 CG2 THR A 125 -24.059 -10.608 -0.119 1.00 16.62 C ATOM 640 HG1 THR A 125 -25.446 -8.454 0.452 1.00 0.00 H ATOM 641 H THR A 125 -24.596 -8.428 2.386 1.00 0.00 H ATOM 642 N ALA A 126 -22.987 -6.324 1.759 1.00 11.10 N ATOM 643 CA ALA A 126 -22.727 -4.892 1.610 1.00 11.92 C ATOM 644 C ALA A 126 -21.238 -4.593 1.670 1.00 11.29 C ATOM 645 O ALA A 126 -20.737 -3.689 0.916 1.00 11.47 O ATOM 646 CB ALA A 126 -23.512 -4.109 2.597 1.00 12.11 C ATOM 647 H ALA A 126 -23.540 -6.663 2.572 1.00 0.00 H ATOM 648 N TYR A 127 -20.460 -5.242 2.567 1.00 10.70 N ATOM 649 CA TYR A 127 -19.060 -4.938 2.616 1.00 10.87 C ATOM 650 C TYR A 127 -18.345 -5.281 1.320 1.00 11.27 C ATOM 651 O TYR A 127 -17.507 -4.536 0.800 1.00 10.89 O ATOM 652 CB TYR A 127 -18.361 -5.598 3.816 1.00 10.53 C ATOM 653 CG TYR A 127 -16.900 -5.243 3.828 1.00 10.16 C ATOM 654 CD1 TYR A 127 -16.547 -3.954 4.160 1.00 12.41 C ATOM 655 CD2 TYR A 127 -15.927 -6.100 3.391 1.00 10.43 C ATOM 656 CE1 TYR A 127 -15.226 -3.552 4.099 1.00 13.34 C ATOM 657 CE2 TYR A 127 -14.604 -5.700 3.330 1.00 10.98 C ATOM 658 CZ TYR A 127 -14.263 -4.435 3.698 1.00 12.32 C ATOM 659 OH TYR A 127 -12.951 -3.995 3.618 1.00 15.12 O ATOM 660 HH TYR A 127 -12.641 -4.053 2.679 1.00 0.00 H ATOM 661 H TYR A 127 -20.871 -5.949 3.210 1.00 0.00 H ATOM 662 N ALA A 128 -18.640 -6.457 0.778 1.00 10.26 N ATOM 663 CA ALA A 128 -18.040 -6.865 -0.505 1.00 10.99 C ATOM 664 C ALA A 128 -18.399 -5.870 -1.626 1.00 11.53 C ATOM 665 O ALA A 128 -17.518 -5.547 -2.438 1.00 13.58 O ATOM 666 CB ALA A 128 -18.541 -8.247 -0.860 1.00 13.77 C ATOM 667 H ALA A 128 -19.301 -7.096 1.264 1.00 0.00 H ATOM 668 N SER A 129 -19.608 -5.356 -1.607 1.00 11.14 N ATOM 669 CA SER A 129 -20.025 -4.337 -2.599 1.00 11.85 C ATOM 670 C SER A 129 -19.153 -3.095 -2.439 1.00 13.09 C ATOM 671 O SER A 129 -18.585 -2.564 -3.453 1.00 13.46 O ATOM 672 CB SER A 129 -21.458 -4.011 -2.522 1.00 14.17 C ATOM 673 OG SER A 129 -22.227 -5.160 -2.887 1.00 18.39 O ATOM 674 HG SER A 129 -23.191 -4.941 -2.835 1.00 0.00 H ATOM 675 H SER A 129 -20.285 -5.670 -0.882 1.00 0.00 H ATOM 676 N PHE A 130 -19.039 -2.631 -1.198 1.00 11.90 N ATOM 677 CA PHE A 130 -18.208 -1.456 -0.876 1.00 11.67 C ATOM 678 C PHE A 130 -16.773 -1.690 -1.350 1.00 12.92 C ATOM 679 O PHE A 130 -16.175 -0.849 -2.066 1.00 12.18 O ATOM 680 CB PHE A 130 -18.213 -1.196 0.632 1.00 11.72 C ATOM 681 CG PHE A 130 -17.312 -0.062 1.058 1.00 11.79 C ATOM 682 CD1 PHE A 130 -17.793 1.241 1.077 1.00 13.32 C ATOM 683 CD2 PHE A 130 -16.025 -0.326 1.478 1.00 12.72 C ATOM 684 CE1 PHE A 130 -16.922 2.251 1.518 1.00 14.63 C ATOM 685 CE2 PHE A 130 -15.166 0.694 1.862 1.00 14.68 C ATOM 686 CZ PHE A 130 -15.640 1.954 1.864 1.00 14.53 C ATOM 687 H PHE A 130 -19.552 -3.111 -0.431 1.00 0.00 H ATOM 688 N ALA A 131 -16.178 -2.825 -0.951 1.00 12.62 N ATOM 689 CA ALA A 131 -14.741 -3.047 -1.232 1.00 12.57 C ATOM 690 C ALA A 131 -14.481 -3.197 -2.747 1.00 12.66 C ATOM 691 O ALA A 131 -13.451 -2.690 -3.224 1.00 14.44 O ATOM 692 CB ALA A 131 -14.266 -4.283 -0.477 1.00 13.38 C ATOM 693 H ALA A 131 -16.726 -3.549 -0.444 1.00 0.00 H ATOM 694 N THR A 132 -15.394 -3.833 -3.488 1.00 12.88 N ATOM 695 CA THR A 132 -15.226 -4.041 -4.915 1.00 15.91 C ATOM 696 C THR A 132 -15.257 -2.685 -5.617 1.00 14.47 C ATOM 697 O THR A 132 -14.407 -2.378 -6.492 1.00 15.21 O ATOM 698 CB THR A 132 -16.303 -4.949 -5.499 1.00 17.37 C ATOM 699 OG1 THR A 132 -16.201 -6.216 -4.841 1.00 22.77 O ATOM 700 CG2 THR A 132 -16.105 -5.172 -6.983 1.00 22.02 C ATOM 701 HG1 THR A 132 -16.341 -6.094 -3.869 1.00 0.00 H ATOM 702 H THR A 132 -16.254 -4.191 -3.026 1.00 0.00 H ATOM 703 N VAL A 133 -16.218 -1.830 -5.265 1.00 13.47 N ATOM 704 CA VAL A 133 -16.351 -0.548 -5.953 1.00 12.36 C ATOM 705 C VAL A 133 -15.155 0.328 -5.613 1.00 13.11 C ATOM 706 O VAL A 133 -14.619 1.027 -6.518 1.00 12.19 O ATOM 707 CB VAL A 133 -17.665 0.151 -5.586 1.00 11.86 C ATOM 708 CG1 VAL A 133 -17.657 1.617 -6.027 1.00 12.25 C ATOM 709 CG2 VAL A 133 -18.873 -0.568 -6.134 1.00 12.80 C ATOM 710 H VAL A 133 -16.875 -2.077 -4.498 1.00 0.00 H ATOM 711 N VAL A 134 -14.723 0.426 -4.359 1.00 12.78 N ATOM 712 CA VAL A 134 -13.631 1.289 -3.963 1.00 12.94 C ATOM 713 C VAL A 134 -12.337 0.826 -4.646 1.00 13.48 C ATOM 714 O VAL A 134 -11.559 1.653 -5.084 1.00 14.64 O ATOM 715 CB VAL A 134 -13.519 1.379 -2.442 1.00 14.26 C ATOM 716 CG1 VAL A 134 -12.253 2.043 -1.958 1.00 15.74 C ATOM 717 CG2 VAL A 134 -14.789 2.034 -1.891 1.00 15.00 C ATOM 718 H VAL A 134 -15.193 -0.145 -3.628 1.00 0.00 H ATOM 719 N GLU A 135 -12.149 -0.495 -4.763 1.00 14.16 N ATOM 720 CA GLU A 135 -10.894 -0.964 -5.439 1.00 16.26 C ATOM 721 C GLU A 135 -10.909 -0.487 -6.881 1.00 15.29 C ATOM 722 O GLU A 135 -9.856 -0.024 -7.366 1.00 17.25 O ATOM 723 CB GLU A 135 -10.814 -2.495 -5.424 1.00 20.93 C ATOM 724 CG GLU A 135 -9.507 -3.033 -6.002 1.00 25.01 C ATOM 725 CD GLU A 135 -9.476 -4.537 -6.162 1.00 39.28 C ATOM 726 OE1 GLU A 135 -10.559 -5.175 -6.059 1.00 48.77 O ATOM 727 OE2 GLU A 135 -8.374 -5.066 -6.399 1.00 45.20 O ATOM 728 H GLU A 135 -12.849 -1.172 -4.398 1.00 0.00 H ATOM 729 N GLU A 136 -12.040 -0.612 -7.576 1.00 14.46 N ATOM 730 CA GLU A 136 -12.176 -0.172 -8.958 1.00 16.21 C ATOM 731 C GLU A 136 -11.949 1.343 -9.054 1.00 15.80 C ATOM 732 O GLU A 136 -11.226 1.854 -9.939 1.00 16.51 O ATOM 733 CB GLU A 136 -13.538 -0.466 -9.578 1.00 20.78 C ATOM 734 CG GLU A 136 -13.857 -1.922 -9.803 1.00 29.20 C ATOM 735 CD GLU A 136 -15.347 -2.224 -9.981 1.00 39.89 C ATOM 736 OE1 GLU A 136 -16.211 -1.332 -9.699 1.00 45.74 O ATOM 737 OE2 GLU A 136 -15.659 -3.382 -10.386 1.00 51.59 O ATOM 738 H GLU A 136 -12.863 -1.044 -7.110 1.00 0.00 H ATOM 739 N LEU A 137 -12.498 2.099 -8.107 1.00 13.19 N ATOM 740 CA LEU A 137 -12.419 3.561 -8.184 1.00 13.72 C ATOM 741 C LEU A 137 -10.977 4.037 -8.130 1.00 12.75 C ATOM 742 O LEU A 137 -10.643 5.039 -8.827 1.00 14.43 O ATOM 743 CB LEU A 137 -13.202 4.106 -6.976 1.00 12.81 C ATOM 744 CG LEU A 137 -13.290 5.627 -6.829 1.00 12.08 C ATOM 745 CD1 LEU A 137 -13.794 6.348 -8.082 1.00 12.77 C ATOM 746 CD2 LEU A 137 -14.184 6.013 -5.637 1.00 13.06 C ATOM 747 H LEU A 137 -12.987 1.650 -7.306 1.00 0.00 H ATOM 748 N PHE A 138 -10.127 3.459 -7.299 1.00 12.42 N ATOM 749 CA PHE A 138 -8.726 3.870 -7.052 1.00 13.23 C ATOM 750 C PHE A 138 -7.692 2.990 -7.809 1.00 15.19 C ATOM 751 O PHE A 138 -6.516 3.172 -7.485 1.00 17.10 O ATOM 752 CB PHE A 138 -8.469 3.938 -5.558 1.00 14.01 C ATOM 753 CG PHE A 138 -9.283 5.000 -4.841 1.00 12.49 C ATOM 754 CD1 PHE A 138 -9.125 6.353 -5.138 1.00 12.69 C ATOM 755 CD2 PHE A 138 -10.260 4.649 -3.927 1.00 12.00 C ATOM 756 CE1 PHE A 138 -9.849 7.327 -4.472 1.00 12.57 C ATOM 757 CE2 PHE A 138 -10.962 5.619 -3.245 1.00 11.89 C ATOM 758 CZ PHE A 138 -10.784 6.957 -3.524 1.00 12.31 C ATOM 759 H PHE A 138 -10.476 2.636 -6.767 1.00 0.00 H ATOM 760 N ARG A 139 -8.182 2.151 -8.711 1.00 18.44 N ATOM 761 CA ARG A 139 -7.271 1.169 -9.417 1.00 20.92 C ATOM 762 C ARG A 139 -6.107 1.915 -10.090 1.00 22.35 C ATOM 763 O ARG A 139 -4.968 1.418 -10.058 1.00 25.13 O ATOM 764 CB ARG A 139 -8.063 0.397 -10.478 1.00 23.80 C ATOM 765 CG ARG A 139 -7.269 -0.738 -11.122 1.00 32.26 C ATOM 766 CD ARG A 139 -8.124 -1.624 -12.031 1.00 39.10 C ATOM 767 NE ARG A 139 -8.899 -0.879 -13.028 1.00 51.20 N ATOM 768 CZ ARG A 139 -8.498 -0.532 -14.265 1.00 58.96 C ATOM 769 NH1 ARG A 139 -7.295 -0.838 -14.730 1.00 56.27 N ATOM 770 NH2 ARG A 139 -9.322 0.138 -15.048 1.00 61.92 N ATOM 771 HE ARG A 139 -9.858 -0.589 -12.750 1.00 0.00 H ATOM 772 HH12 ARG A 139 -7.021 -0.552 -15.692 1.00 0.00 H ATOM 773 HH11 ARG A 139 -6.625 -1.364 -14.133 1.00 0.00 H ATOM 774 HH22 ARG A 139 -9.022 0.411 -16.006 1.00 0.00 H ATOM 775 HH21 ARG A 139 -10.271 0.393 -14.707 1.00 0.00 H ATOM 776 H ARG A 139 -9.197 2.167 -8.935 1.00 0.00 H ATOM 777 N ASP A 140 -6.366 3.070 -10.692 1.00 21.08 N ATOM 778 CA ASP A 140 -5.291 3.759 -11.469 1.00 23.38 C ATOM 779 C ASP A 140 -4.662 4.884 -10.645 1.00 22.69 C ATOM 780 O ASP A 140 -3.879 5.693 -11.168 1.00 23.27 O ATOM 781 CB ASP A 140 -5.832 4.271 -12.799 1.00 26.81 C ATOM 782 CG ASP A 140 -6.330 3.197 -13.757 1.00 29.82 C ATOM 783 OD1 ASP A 140 -5.851 2.044 -13.679 1.00 35.64 O ATOM 784 OD2 ASP A 140 -7.240 3.512 -14.515 1.00 38.36 O ATOM 785 H ASP A 140 -7.313 3.494 -10.623 1.00 0.00 H ATOM 786 N GLY A 141 -4.977 4.978 -9.351 1.00 19.93 N ATOM 787 CA GLY A 141 -4.401 5.885 -8.448 1.00 17.74 C ATOM 788 C GLY A 141 -5.448 6.819 -7.838 1.00 15.62 C ATOM 789 O GLY A 141 -6.628 6.686 -8.117 1.00 17.51 O ATOM 790 H GLY A 141 -5.704 4.331 -8.985 1.00 0.00 H ATOM 791 N VAL A 142 -4.941 7.681 -6.984 1.00 14.75 N ATOM 792 CA VAL A 142 -5.803 8.605 -6.199 1.00 14.73 C ATOM 793 C VAL A 142 -5.710 10.020 -6.760 1.00 14.83 C ATOM 794 O VAL A 142 -4.614 10.455 -7.141 1.00 15.11 O ATOM 795 CB VAL A 142 -5.383 8.609 -4.742 1.00 14.21 C ATOM 796 CG1 VAL A 142 -6.266 9.527 -3.887 1.00 12.95 C ATOM 797 CG2 VAL A 142 -5.366 7.195 -4.152 1.00 14.89 C ATOM 798 H VAL A 142 -3.910 7.718 -6.854 1.00 0.00 H ATOM 799 N ASN A 143 -6.838 10.737 -6.836 1.00 12.29 N ATOM 800 CA ASN A 143 -6.868 12.172 -7.029 1.00 11.96 C ATOM 801 C ASN A 143 -8.064 12.693 -6.195 1.00 11.54 C ATOM 802 O ASN A 143 -8.888 11.900 -5.701 1.00 10.53 O ATOM 803 CB ASN A 143 -6.893 12.572 -8.507 1.00 12.02 C ATOM 804 CG ASN A 143 -8.117 12.090 -9.242 1.00 13.26 C ATOM 805 OD1 ASN A 143 -9.259 12.219 -8.750 1.00 12.39 O ATOM 806 ND2 ASN A 143 -8.004 11.552 -10.457 1.00 15.25 N ATOM 807 HD22 ASN A 143 -7.065 11.434 -10.888 1.00 0.00 H ATOM 808 HD21 ASN A 143 -8.855 11.250 -10.973 1.00 0.00 H ATOM 809 H ASN A 143 -7.745 10.235 -6.752 1.00 0.00 H ATOM 810 N TRP A 144 -8.146 14.005 -5.996 1.00 9.84 N ATOM 811 CA TRP A 144 -9.237 14.524 -5.173 1.00 9.19 C ATOM 812 C TRP A 144 -10.596 14.162 -5.771 1.00 9.26 C ATOM 813 O TRP A 144 -11.531 13.952 -4.989 1.00 9.21 O ATOM 814 CB TRP A 144 -9.119 16.037 -4.959 1.00 9.62 C ATOM 815 CG TRP A 144 -7.986 16.451 -4.042 1.00 9.97 C ATOM 816 CD1 TRP A 144 -6.858 17.171 -4.377 1.00 10.27 C ATOM 817 CD2 TRP A 144 -7.887 16.201 -2.626 1.00 10.13 C ATOM 818 NE1 TRP A 144 -6.098 17.384 -3.270 1.00 9.74 N ATOM 819 CE2 TRP A 144 -6.666 16.779 -2.177 1.00 11.32 C ATOM 820 CE3 TRP A 144 -8.687 15.523 -1.697 1.00 10.56 C ATOM 821 CZ2 TRP A 144 -6.279 16.694 -0.840 1.00 11.41 C ATOM 822 CZ3 TRP A 144 -8.276 15.427 -0.390 1.00 10.78 C ATOM 823 CH2 TRP A 144 -7.096 16.029 0.032 1.00 11.72 C ATOM 824 HE1 TRP A 144 -5.212 17.928 -3.254 1.00 0.00 H ATOM 825 H TRP A 144 -7.447 14.650 -6.418 1.00 0.00 H ATOM 826 N GLY A 145 -10.779 14.268 -7.083 1.00 8.40 N ATOM 827 CA GLY A 145 -12.042 13.961 -7.650 1.00 8.79 C ATOM 828 C GLY A 145 -12.540 12.550 -7.306 1.00 9.01 C ATOM 829 O GLY A 145 -13.742 12.314 -7.075 1.00 9.05 O ATOM 830 H GLY A 145 -9.996 14.576 -7.694 1.00 0.00 H ATOM 831 N ARG A 146 -11.628 11.562 -7.368 1.00 9.62 N ATOM 832 CA ARG A 146 -11.971 10.215 -7.003 1.00 9.63 C ATOM 833 C ARG A 146 -12.306 10.117 -5.503 1.00 9.02 C ATOM 834 O ARG A 146 -13.155 9.298 -5.118 1.00 9.33 O ATOM 835 CB ARG A 146 -10.856 9.263 -7.412 1.00 10.90 C ATOM 836 CG ARG A 146 -10.726 9.121 -8.930 1.00 11.87 C ATOM 837 CD ARG A 146 -9.478 8.335 -9.279 1.00 13.68 C ATOM 838 NE ARG A 146 -9.375 8.214 -10.737 1.00 16.79 N ATOM 839 CZ ARG A 146 -8.170 8.111 -11.388 1.00 21.48 C ATOM 840 NH1 ARG A 146 -7.032 7.871 -10.749 1.00 22.34 N ATOM 841 NH2 ARG A 146 -8.120 8.394 -12.662 1.00 24.16 N ATOM 842 HE ARG A 146 -10.249 8.206 -11.300 1.00 0.00 H ATOM 843 HH12 ARG A 146 -6.141 7.801 -11.282 1.00 0.00 H ATOM 844 HH11 ARG A 146 -7.031 7.753 -9.716 1.00 0.00 H ATOM 845 HH22 ARG A 146 -7.218 8.323 -13.175 1.00 0.00 H ATOM 846 HH21 ARG A 146 -8.982 8.690 -13.163 1.00 0.00 H ATOM 847 H ARG A 146 -10.661 11.777 -7.685 1.00 0.00 H ATOM 848 N ILE A 147 -11.611 10.878 -4.650 1.00 9.11 N ATOM 849 CA ILE A 147 -11.956 10.913 -3.202 1.00 8.63 C ATOM 850 C ILE A 147 -13.396 11.460 -3.056 1.00 8.37 C ATOM 851 O ILE A 147 -14.214 10.913 -2.280 1.00 8.60 O ATOM 852 CB ILE A 147 -10.934 11.654 -2.353 1.00 9.17 C ATOM 853 CG1 ILE A 147 -9.600 10.891 -2.359 1.00 10.87 C ATOM 854 CG2 ILE A 147 -11.459 11.927 -0.939 1.00 9.81 C ATOM 855 CD1 ILE A 147 -8.554 11.539 -1.554 1.00 11.77 C ATOM 856 H ILE A 147 -10.819 11.453 -5.003 1.00 0.00 H ATOM 857 N VAL A 148 -13.734 12.551 -3.762 1.00 7.94 N ATOM 858 CA VAL A 148 -15.113 13.071 -3.671 1.00 8.00 C ATOM 859 C VAL A 148 -16.088 12.003 -4.155 1.00 8.07 C ATOM 860 O VAL A 148 -17.142 11.737 -3.547 1.00 7.94 O ATOM 861 CB VAL A 148 -15.269 14.355 -4.470 1.00 8.62 C ATOM 862 CG1 VAL A 148 -16.734 14.764 -4.593 1.00 8.44 C ATOM 863 CG2 VAL A 148 -14.448 15.451 -3.836 1.00 9.34 C ATOM 864 H VAL A 148 -13.032 13.025 -4.366 1.00 0.00 H ATOM 865 N ALA A 149 -15.781 11.275 -5.262 1.00 8.47 N ATOM 866 CA ALA A 149 -16.630 10.202 -5.776 1.00 8.48 C ATOM 867 C ALA A 149 -16.798 9.086 -4.720 1.00 8.85 C ATOM 868 O ALA A 149 -17.890 8.501 -4.581 1.00 9.32 O ATOM 869 CB ALA A 149 -15.998 9.644 -7.068 1.00 9.48 C ATOM 870 H ALA A 149 -14.899 11.493 -5.768 1.00 0.00 H ATOM 871 N PHE A 150 -15.752 8.818 -3.944 1.00 7.96 N ATOM 872 CA PHE A 150 -15.787 7.832 -2.871 1.00 9.10 C ATOM 873 C PHE A 150 -16.791 8.237 -1.797 1.00 8.84 C ATOM 874 O PHE A 150 -17.611 7.436 -1.353 1.00 9.34 O ATOM 875 CB PHE A 150 -14.393 7.665 -2.310 1.00 9.60 C ATOM 876 CG PHE A 150 -14.249 7.132 -0.919 1.00 10.04 C ATOM 877 CD1 PHE A 150 -14.143 7.990 0.155 1.00 11.49 C ATOM 878 CD2 PHE A 150 -14.131 5.763 -0.725 1.00 12.04 C ATOM 879 CE1 PHE A 150 -13.973 7.487 1.436 1.00 12.26 C ATOM 880 CE2 PHE A 150 -13.908 5.275 0.564 1.00 13.12 C ATOM 881 CZ PHE A 150 -13.818 6.137 1.601 1.00 11.54 C ATOM 882 H PHE A 150 -14.866 9.337 -4.111 1.00 0.00 H ATOM 883 N PHE A 151 -16.781 9.509 -1.420 1.00 8.44 N ATOM 884 CA PHE A 151 -17.777 10.041 -0.449 1.00 8.61 C ATOM 885 C PHE A 151 -19.161 9.918 -1.043 1.00 9.31 C ATOM 886 O PHE A 151 -20.088 9.466 -0.341 1.00 9.63 O ATOM 887 CB PHE A 151 -17.432 11.485 -0.045 1.00 8.55 C ATOM 888 CG PHE A 151 -16.433 11.593 1.055 1.00 8.69 C ATOM 889 CD1 PHE A 151 -16.857 11.597 2.391 1.00 9.89 C ATOM 890 CD2 PHE A 151 -15.080 11.674 0.808 1.00 9.34 C ATOM 891 CE1 PHE A 151 -15.921 11.682 3.399 1.00 9.63 C ATOM 892 CE2 PHE A 151 -14.151 11.771 1.840 1.00 9.12 C ATOM 893 CZ PHE A 151 -14.578 11.743 3.141 1.00 9.82 C ATOM 894 H PHE A 151 -16.061 10.149 -1.812 1.00 0.00 H ATOM 895 N GLU A 152 -19.380 10.310 -2.315 1.00 8.35 N ATOM 896 CA GLU A 152 -20.721 10.178 -2.923 1.00 8.38 C ATOM 897 C GLU A 152 -21.179 8.715 -2.973 1.00 8.74 C ATOM 898 O GLU A 152 -22.348 8.436 -2.752 1.00 9.43 O ATOM 899 CB GLU A 152 -20.768 10.873 -4.276 1.00 8.39 C ATOM 900 CG GLU A 152 -20.863 12.376 -4.169 1.00 8.51 C ATOM 901 CD GLU A 152 -22.218 12.758 -3.641 1.00 9.91 C ATOM 902 OE1 GLU A 152 -23.214 12.398 -4.225 1.00 10.52 O ATOM 903 OE2 GLU A 152 -22.209 13.465 -2.617 1.00 12.74 O ATOM 904 H GLU A 152 -18.598 10.709 -2.873 1.00 0.00 H ATOM 905 N PHE A 153 -20.276 7.822 -3.280 1.00 8.35 N ATOM 906 CA PHE A 153 -20.599 6.398 -3.262 1.00 8.77 C ATOM 907 C PHE A 153 -21.052 5.948 -1.870 1.00 9.50 C ATOM 908 O PHE A 153 -22.046 5.245 -1.727 1.00 9.52 O ATOM 909 CB PHE A 153 -19.395 5.581 -3.736 1.00 9.01 C ATOM 910 CG PHE A 153 -19.545 4.091 -3.537 1.00 9.42 C ATOM 911 CD1 PHE A 153 -20.574 3.409 -4.129 1.00 10.12 C ATOM 912 CD2 PHE A 153 -18.621 3.408 -2.766 1.00 10.56 C ATOM 913 CE1 PHE A 153 -20.696 2.031 -3.926 1.00 9.78 C ATOM 914 CE2 PHE A 153 -18.799 2.052 -2.528 1.00 11.35 C ATOM 915 CZ PHE A 153 -19.804 1.371 -3.139 1.00 11.22 C ATOM 916 H PHE A 153 -19.317 8.129 -3.540 1.00 0.00 H ATOM 917 N GLY A 154 -20.305 6.308 -0.840 1.00 8.97 N ATOM 918 CA GLY A 154 -20.753 5.964 0.519 1.00 9.22 C ATOM 919 C GLY A 154 -22.107 6.568 0.819 1.00 10.13 C ATOM 920 O GLY A 154 -22.942 5.920 1.465 1.00 9.19 O ATOM 921 H GLY A 154 -19.415 6.826 -0.988 1.00 0.00 H ATOM 922 N GLY A 155 -22.360 7.802 0.365 1.00 9.65 N ATOM 923 CA GLY A 155 -23.664 8.425 0.545 1.00 9.30 C ATOM 924 C GLY A 155 -24.760 7.652 -0.156 1.00 9.96 C ATOM 925 O GLY A 155 -25.819 7.410 0.496 1.00 10.80 O ATOM 926 H GLY A 155 -21.609 8.327 -0.127 1.00 0.00 H ATOM 927 N VAL A 156 -24.516 7.149 -1.381 1.00 9.33 N ATOM 928 CA VAL A 156 -25.506 6.289 -2.073 1.00 9.95 C ATOM 929 C VAL A 156 -25.743 5.032 -1.259 1.00 10.97 C ATOM 930 O VAL A 156 -26.905 4.635 -1.058 1.00 11.33 O ATOM 931 CB VAL A 156 -25.041 5.990 -3.502 1.00 11.25 C ATOM 932 CG1 VAL A 156 -25.797 4.883 -4.162 1.00 12.08 C ATOM 933 CG2 VAL A 156 -25.086 7.246 -4.367 1.00 11.24 C ATOM 934 H VAL A 156 -23.615 7.368 -1.851 1.00 0.00 H ATOM 935 N MET A 157 -24.683 4.400 -0.787 1.00 10.44 N ATOM 936 CA MET A 157 -24.865 3.145 -0.049 1.00 10.35 C ATOM 937 C MET A 157 -25.705 3.421 1.199 1.00 10.28 C ATOM 938 O MET A 157 -26.640 2.613 1.571 1.00 11.12 O ATOM 939 CB MET A 157 -23.544 2.512 0.403 1.00 11.02 C ATOM 940 CG MET A 157 -22.759 1.976 -0.670 1.00 11.56 C ATOM 941 SD MET A 157 -21.460 0.805 -0.099 1.00 15.59 S ATOM 942 CE MET A 157 -22.402 -0.541 0.618 1.00 12.65 C ATOM 943 H MET A 157 -23.730 4.788 -0.937 1.00 0.00 H ATOM 944 N CYS A 158 -25.477 4.510 1.927 1.00 10.01 N ATOM 945 CA CYS A 158 -26.239 4.850 3.159 1.00 10.37 C ATOM 946 C CYS A 158 -27.703 5.110 2.831 1.00 12.86 C ATOM 947 O CYS A 158 -28.601 4.620 3.528 1.00 13.99 O ATOM 948 CB CYS A 158 -25.613 6.018 3.908 1.00 10.36 C ATOM 949 SG CYS A 158 -24.047 5.586 4.703 1.00 11.98 S ATOM 950 H CYS A 158 -24.725 5.159 1.619 1.00 0.00 H ATOM 951 N VAL A 159 -27.955 5.968 1.840 1.00 12.50 N ATOM 952 CA VAL A 159 -29.343 6.298 1.474 1.00 12.61 C ATOM 953 C VAL A 159 -30.066 5.040 1.059 1.00 13.97 C ATOM 954 O VAL A 159 -31.239 4.842 1.483 1.00 14.37 O ATOM 955 CB VAL A 159 -29.370 7.348 0.352 1.00 13.25 C ATOM 956 CG1 VAL A 159 -30.739 7.384 -0.288 1.00 15.53 C ATOM 957 CG2 VAL A 159 -28.931 8.703 0.866 1.00 14.07 C ATOM 958 H VAL A 159 -27.166 6.406 1.323 1.00 0.00 H ATOM 959 N GLU A 160 -29.473 4.199 0.216 1.00 13.43 N ATOM 960 CA GLU A 160 -30.140 2.960 -0.256 1.00 13.84 C ATOM 961 C GLU A 160 -30.423 2.041 0.930 1.00 16.84 C ATOM 962 O GLU A 160 -31.478 1.414 0.970 1.00 19.17 O ATOM 963 CB GLU A 160 -29.381 2.288 -1.386 1.00 17.62 C ATOM 964 CG GLU A 160 -29.329 3.179 -2.660 1.00 24.66 C ATOM 965 CD GLU A 160 -30.657 3.602 -3.311 1.00 29.09 C ATOM 966 OE1 GLU A 160 -30.722 4.741 -3.863 1.00 29.93 O ATOM 967 OE2 GLU A 160 -31.642 2.818 -3.223 1.00 33.68 O ATOM 968 H GLU A 160 -28.514 4.416 -0.122 1.00 0.00 H ATOM 969 N SER A 161 -29.519 1.997 1.916 1.00 14.47 N ATOM 970 CA SER A 161 -29.705 1.164 3.074 1.00 16.27 C ATOM 971 C SER A 161 -30.971 1.605 3.810 1.00 16.19 C ATOM 972 O SER A 161 -31.802 0.732 4.229 1.00 17.30 O ATOM 973 CB SER A 161 -28.509 1.236 3.994 1.00 16.36 C ATOM 974 OG SER A 161 -27.379 0.643 3.378 1.00 19.45 O ATOM 975 HG SER A 161 -27.171 1.125 2.538 1.00 0.00 H ATOM 976 H SER A 161 -28.661 2.580 1.843 1.00 0.00 H ATOM 977 N VAL A 162 -31.146 2.902 3.993 1.00 15.13 N ATOM 978 CA VAL A 162 -32.320 3.397 4.711 1.00 17.22 C ATOM 979 C VAL A 162 -33.570 3.159 3.871 1.00 20.36 C ATOM 980 O VAL A 162 -34.631 2.674 4.420 1.00 21.17 O ATOM 981 CB VAL A 162 -32.179 4.863 5.140 1.00 18.40 C ATOM 982 CG1 VAL A 162 -33.461 5.358 5.814 1.00 20.88 C ATOM 983 CG2 VAL A 162 -31.011 5.095 6.067 1.00 17.86 C ATOM 984 H VAL A 162 -30.444 3.575 3.624 1.00 0.00 H ATOM 985 N ASN A 163 -33.475 3.350 2.568 1.00 19.15 N ATOM 986 CA ASN A 163 -34.625 3.110 1.678 1.00 22.08 C ATOM 987 C ASN A 163 -35.086 1.646 1.691 1.00 25.00 C ATOM 988 O ASN A 163 -36.309 1.410 1.556 1.00 27.26 O ATOM 989 CB ASN A 163 -34.332 3.511 0.234 1.00 26.12 C ATOM 990 CG ASN A 163 -34.202 4.998 -0.004 1.00 29.14 C ATOM 991 OD1 ASN A 163 -34.447 5.829 0.879 1.00 32.78 O ATOM 992 ND2 ASN A 163 -33.695 5.337 -1.181 1.00 34.12 N ATOM 993 HD22 ASN A 163 -33.504 4.605 -1.895 1.00 0.00 H ATOM 994 HD21 ASN A 163 -33.488 6.334 -1.390 1.00 0.00 H ATOM 995 H ASN A 163 -32.574 3.675 2.163 1.00 0.00 H ATOM 996 N ARG A 164 -34.189 0.673 1.840 1.00 21.36 N ATOM 997 CA ARG A 164 -34.465 -0.756 1.746 1.00 25.54 C ATOM 998 C ARG A 164 -34.689 -1.369 3.140 1.00 22.95 C ATOM 999 O ARG A 164 -34.534 -2.580 3.293 1.00 25.60 O ATOM 1000 CB ARG A 164 -33.327 -1.403 0.950 1.00 31.86 C ATOM 1001 CG ARG A 164 -33.255 -0.909 -0.491 1.00 35.69 C ATOM 1002 CD ARG A 164 -31.886 -1.138 -1.095 1.00 44.41 C ATOM 1003 NE ARG A 164 -31.629 -0.517 -2.407 1.00 51.39 N ATOM 1004 CZ ARG A 164 -30.839 -1.070 -3.329 1.00 58.81 C ATOM 1005 NH1 ARG A 164 -30.545 -2.358 -3.224 1.00 56.09 N ATOM 1006 NH2 ARG A 164 -30.322 -0.349 -4.314 1.00 63.68 N ATOM 1007 HE ARG A 164 -32.084 0.393 -2.624 1.00 0.00 H ATOM 1008 HH12 ARG A 164 -29.931 -2.811 -3.931 1.00 0.00 H ATOM 1009 HH11 ARG A 164 -30.928 -2.916 -2.435 1.00 0.00 H ATOM 1010 HH22 ARG A 164 -29.709 -0.800 -5.022 1.00 0.00 H ATOM 1011 HH21 ARG A 164 -30.530 0.668 -4.379 1.00 0.00 H ATOM 1012 H ARG A 164 -33.209 0.956 2.040 1.00 0.00 H ATOM 1013 N GLU A 165 -34.947 -0.556 4.159 1.00 20.92 N ATOM 1014 CA GLU A 165 -35.205 -0.945 5.562 1.00 24.27 C ATOM 1015 C GLU A 165 -34.050 -1.769 6.127 1.00 24.40 C ATOM 1016 O GLU A 165 -34.230 -2.757 6.855 1.00 25.58 O ATOM 1017 CB GLU A 165 -36.538 -1.685 5.671 1.00 29.75 C ATOM 1018 CG GLU A 165 -37.680 -0.849 5.127 1.00 35.01 C ATOM 1019 CD GLU A 165 -39.064 -1.458 5.275 1.00 44.34 C ATOM 1020 OE1 GLU A 165 -39.452 -2.287 4.421 1.00 49.34 O ATOM 1021 OE2 GLU A 165 -39.737 -1.103 6.249 1.00 51.90 O ATOM 1022 H GLU A 165 -34.970 0.462 3.947 1.00 0.00 H ATOM 1023 N MET A 166 -32.840 -1.326 5.791 1.00 21.58 N ATOM 1024 CA MET A 166 -31.588 -1.859 6.299 1.00 19.81 C ATOM 1025 C MET A 166 -30.786 -0.718 6.930 1.00 18.04 C ATOM 1026 O MET A 166 -29.528 -0.680 6.726 1.00 16.93 O ATOM 1027 CB MET A 166 -30.786 -2.475 5.147 1.00 24.03 C ATOM 1028 CG MET A 166 -31.291 -3.798 4.657 1.00 26.73 C ATOM 1029 SD MET A 166 -30.419 -4.288 3.200 1.00 27.90 S ATOM 1030 CE MET A 166 -31.610 -5.416 2.473 1.00 31.90 C ATOM 1031 H MET A 166 -32.787 -0.539 5.113 1.00 0.00 H ATOM 1032 N SER A 167 -31.364 0.176 7.723 1.00 18.31 N ATOM 1033 CA SER A 167 -30.674 1.312 8.289 1.00 18.04 C ATOM 1034 C SER A 167 -29.475 0.920 9.185 1.00 16.88 C ATOM 1035 O SER A 167 -28.599 1.733 9.438 1.00 15.88 O ATOM 1036 CB SER A 167 -31.608 2.279 8.967 1.00 22.66 C ATOM 1037 OG SER A 167 -32.180 1.655 10.082 1.00 26.37 O ATOM 1038 HG SER A 167 -32.683 0.854 9.789 1.00 0.00 H ATOM 1039 H SER A 167 -32.371 0.051 7.950 1.00 0.00 H ATOM 1040 N VAL A 168 -29.492 -0.325 9.699 1.00 18.10 N ATOM 1041 CA VAL A 168 -28.392 -0.845 10.476 1.00 18.22 C ATOM 1042 C VAL A 168 -27.072 -0.710 9.717 1.00 16.48 C ATOM 1043 O VAL A 168 -26.009 -0.669 10.352 1.00 17.10 O ATOM 1044 CB VAL A 168 -28.672 -2.302 10.853 1.00 19.98 C ATOM 1045 CG1 VAL A 168 -28.751 -3.193 9.650 1.00 19.70 C ATOM 1046 CG2 VAL A 168 -27.659 -2.800 11.859 1.00 21.88 C ATOM 1047 H VAL A 168 -30.322 -0.929 9.531 1.00 0.00 H ATOM 1048 N LEU A 169 -27.139 -0.708 8.390 1.00 14.07 N ATOM 1049 CA LEU A 169 -25.905 -0.597 7.615 1.00 12.62 C ATOM 1050 C LEU A 169 -25.262 0.787 7.671 1.00 12.10 C ATOM 1051 O LEU A 169 -24.047 0.859 7.424 1.00 10.86 O ATOM 1052 CB LEU A 169 -26.119 -1.007 6.170 1.00 13.38 C ATOM 1053 CG LEU A 169 -26.561 -2.443 5.940 1.00 16.68 C ATOM 1054 CD1 LEU A 169 -26.663 -2.781 4.460 1.00 15.77 C ATOM 1055 CD2 LEU A 169 -25.628 -3.390 6.720 1.00 21.37 C ATOM 1056 H LEU A 169 -28.058 -0.784 7.909 1.00 0.00 H ATOM 1057 N VAL A 170 -26.004 1.839 7.956 1.00 11.44 N ATOM 1058 CA VAL A 170 -25.392 3.204 7.874 1.00 11.49 C ATOM 1059 C VAL A 170 -24.143 3.298 8.758 1.00 11.93 C ATOM 1060 O VAL A 170 -23.058 3.746 8.304 1.00 11.99 O ATOM 1061 CB VAL A 170 -26.413 4.312 8.240 1.00 11.45 C ATOM 1062 CG1 VAL A 170 -25.752 5.660 8.314 1.00 12.56 C ATOM 1063 CG2 VAL A 170 -27.551 4.317 7.246 1.00 11.42 C ATOM 1064 H VAL A 170 -27.000 1.723 8.234 1.00 0.00 H ATOM 1065 N ASP A 171 -24.211 2.867 10.032 1.00 11.40 N ATOM 1066 CA ASP A 171 -23.041 3.034 10.899 1.00 12.68 C ATOM 1067 C ASP A 171 -21.862 2.177 10.401 1.00 11.61 C ATOM 1068 O ASP A 171 -20.717 2.537 10.563 1.00 11.75 O ATOM 1069 CB ASP A 171 -23.374 2.640 12.355 1.00 14.72 C ATOM 1070 CG ASP A 171 -24.307 3.577 13.103 1.00 21.62 C ATOM 1071 OD1 ASP A 171 -24.467 4.690 12.694 1.00 24.39 O ATOM 1072 OD2 ASP A 171 -24.814 3.184 14.171 1.00 27.60 O ATOM 1073 H ASP A 171 -25.079 2.423 10.395 1.00 0.00 H ATOM 1074 N ASN A 172 -22.189 1.001 9.848 1.00 10.43 N ATOM 1075 CA ASN A 172 -21.199 0.112 9.287 1.00 10.02 C ATOM 1076 C ASN A 172 -20.485 0.756 8.087 1.00 10.12 C ATOM 1077 O ASN A 172 -19.246 0.773 8.039 1.00 10.33 O ATOM 1078 CB ASN A 172 -21.832 -1.250 8.947 1.00 9.90 C ATOM 1079 CG ASN A 172 -22.114 -2.088 10.175 1.00 10.58 C ATOM 1080 OD1 ASN A 172 -21.172 -2.576 10.791 1.00 12.50 O ATOM 1081 ND2 ASN A 172 -23.360 -2.087 10.651 1.00 12.39 N ATOM 1082 HD22 ASN A 172 -24.129 -1.662 10.095 1.00 0.00 H ATOM 1083 HD21 ASN A 172 -23.563 -2.511 11.579 1.00 0.00 H ATOM 1084 H ASN A 172 -23.190 0.719 9.822 1.00 0.00 H ATOM 1085 N ILE A 173 -21.274 1.304 7.152 1.00 10.10 N ATOM 1086 CA ILE A 173 -20.700 2.004 5.979 1.00 10.02 C ATOM 1087 C ILE A 173 -19.836 3.181 6.439 1.00 10.77 C ATOM 1088 O ILE A 173 -18.730 3.360 5.853 1.00 10.22 O ATOM 1089 CB ILE A 173 -21.796 2.450 5.032 1.00 10.37 C ATOM 1090 CG1 ILE A 173 -22.571 1.278 4.475 1.00 10.95 C ATOM 1091 CG2 ILE A 173 -21.194 3.310 3.895 1.00 11.02 C ATOM 1092 CD1 ILE A 173 -23.986 1.626 4.044 1.00 11.83 C ATOM 1093 H ILE A 173 -22.307 1.237 7.252 1.00 0.00 H ATOM 1094 N ALA A 174 -20.273 3.948 7.424 1.00 9.91 N ATOM 1095 CA ALA A 174 -19.474 5.043 7.912 1.00 11.02 C ATOM 1096 C ALA A 174 -18.118 4.550 8.411 1.00 11.18 C ATOM 1097 O ALA A 174 -17.052 5.146 8.137 1.00 12.00 O ATOM 1098 CB ALA A 174 -20.228 5.786 8.977 1.00 12.83 C ATOM 1099 H ALA A 174 -21.203 3.759 7.850 1.00 0.00 H ATOM 1100 N ALA A 175 -18.131 3.441 9.159 1.00 9.99 N ATOM 1101 CA ALA A 175 -16.895 2.839 9.641 1.00 10.60 C ATOM 1102 C ALA A 175 -15.998 2.382 8.490 1.00 11.37 C ATOM 1103 O ALA A 175 -14.751 2.557 8.521 1.00 11.59 O ATOM 1104 CB ALA A 175 -17.195 1.642 10.528 1.00 12.72 C ATOM 1105 H ALA A 175 -19.041 3.000 9.401 1.00 0.00 H ATOM 1106 N TRP A 176 -16.596 1.785 7.460 1.00 9.94 N ATOM 1107 CA TRP A 176 -15.817 1.347 6.308 1.00 10.41 C ATOM 1108 C TRP A 176 -15.110 2.526 5.648 1.00 11.11 C ATOM 1109 O TRP A 176 -13.975 2.382 5.216 1.00 10.68 O ATOM 1110 CB TRP A 176 -16.680 0.607 5.296 1.00 10.83 C ATOM 1111 CG TRP A 176 -17.378 -0.611 5.846 1.00 10.42 C ATOM 1112 CD1 TRP A 176 -17.020 -1.280 6.968 1.00 12.24 C ATOM 1113 CD2 TRP A 176 -18.583 -1.220 5.367 1.00 9.94 C ATOM 1114 NE1 TRP A 176 -17.891 -2.310 7.199 1.00 11.48 N ATOM 1115 CE2 TRP A 176 -18.883 -2.277 6.276 1.00 10.07 C ATOM 1116 CE3 TRP A 176 -19.414 -1.036 4.271 1.00 11.06 C ATOM 1117 CZ2 TRP A 176 -20.014 -3.084 6.115 1.00 10.48 C ATOM 1118 CZ3 TRP A 176 -20.544 -1.828 4.128 1.00 11.67 C ATOM 1119 CH2 TRP A 176 -20.806 -2.869 5.017 1.00 11.69 C ATOM 1120 HE1 TRP A 176 -17.805 -3.009 7.964 1.00 0.00 H ATOM 1121 H TRP A 176 -17.624 1.631 7.478 1.00 0.00 H ATOM 1122 N MET A 177 -15.845 3.607 5.501 1.00 10.48 N ATOM 1123 CA MET A 177 -15.289 4.803 4.883 1.00 10.02 C ATOM 1124 C MET A 177 -14.177 5.422 5.716 1.00 11.15 C ATOM 1125 O MET A 177 -13.088 5.679 5.146 1.00 11.26 O ATOM 1126 CB MET A 177 -16.382 5.827 4.657 1.00 10.08 C ATOM 1127 CG MET A 177 -17.426 5.492 3.643 1.00 10.00 C ATOM 1128 SD MET A 177 -18.843 6.616 3.628 1.00 10.22 S ATOM 1129 CE MET A 177 -18.074 8.049 2.867 1.00 12.49 C ATOM 1130 H MET A 177 -16.832 3.608 5.829 1.00 0.00 H ATOM 1131 N ALA A 178 -14.430 5.581 6.989 1.00 11.79 N ATOM 1132 CA ALA A 178 -13.385 6.127 7.886 1.00 13.07 C ATOM 1133 C ALA A 178 -12.170 5.228 7.875 1.00 13.98 C ATOM 1134 O ALA A 178 -11.020 5.707 7.810 1.00 15.04 O ATOM 1135 CB ALA A 178 -13.898 6.362 9.261 1.00 13.87 C ATOM 1136 H ALA A 178 -15.363 5.325 7.371 1.00 0.00 H ATOM 1137 N THR A 179 -12.359 3.906 7.919 1.00 13.86 N ATOM 1138 CA THR A 179 -11.252 2.993 7.973 1.00 15.14 C ATOM 1139 C THR A 179 -10.436 3.081 6.672 1.00 14.63 C ATOM 1140 O THR A 179 -9.183 3.053 6.638 1.00 15.43 O ATOM 1141 CB THR A 179 -11.671 1.542 8.334 1.00 17.02 C ATOM 1142 OG1 THR A 179 -12.293 1.577 9.612 1.00 19.52 O ATOM 1143 CG2 THR A 179 -10.487 0.633 8.410 1.00 20.16 C ATOM 1144 HG1 THR A 179 -13.088 2.166 9.575 1.00 0.00 H ATOM 1145 H THR A 179 -13.329 3.530 7.914 1.00 0.00 H ATOM 1146 N TYR A 180 -11.063 3.145 5.477 1.00 13.18 N ATOM 1147 CA TYR A 180 -10.400 3.222 4.208 1.00 13.10 C ATOM 1148 C TYR A 180 -9.597 4.538 4.121 1.00 14.25 C ATOM 1149 O TYR A 180 -8.418 4.505 3.679 1.00 13.71 O ATOM 1150 CB TYR A 180 -11.389 3.114 3.030 1.00 13.19 C ATOM 1151 CG TYR A 180 -10.667 2.890 1.750 1.00 14.41 C ATOM 1152 CD1 TYR A 180 -10.283 1.633 1.294 1.00 15.70 C ATOM 1153 CD2 TYR A 180 -10.394 3.960 0.896 1.00 15.67 C ATOM 1154 CE1 TYR A 180 -9.525 1.481 0.154 1.00 16.56 C ATOM 1155 CE2 TYR A 180 -9.688 3.801 -0.290 1.00 15.30 C ATOM 1156 CZ TYR A 180 -9.254 2.549 -0.677 1.00 18.19 C ATOM 1157 OH TYR A 180 -8.555 2.407 -1.866 1.00 21.35 O ATOM 1158 HH TYR A 180 -8.318 1.455 -1.996 1.00 0.00 H ATOM 1159 H TYR A 180 -12.103 3.138 5.478 1.00 0.00 H ATOM 1160 N LEU A 181 -10.172 5.640 4.577 1.00 13.65 N ATOM 1161 CA LEU A 181 -9.420 6.910 4.614 1.00 14.51 C ATOM 1162 C LEU A 181 -8.152 6.766 5.481 1.00 15.56 C ATOM 1163 O LEU A 181 -7.068 7.066 5.013 1.00 16.33 O ATOM 1164 CB LEU A 181 -10.308 8.015 5.121 1.00 13.53 C ATOM 1165 CG LEU A 181 -11.296 8.561 4.093 1.00 13.69 C ATOM 1166 CD1 LEU A 181 -12.483 9.149 4.780 1.00 14.10 C ATOM 1167 CD2 LEU A 181 -10.634 9.632 3.233 1.00 14.49 C ATOM 1168 H LEU A 181 -11.157 5.611 4.910 1.00 0.00 H ATOM 1169 N ASN A 182 -8.341 6.187 6.672 1.00 14.92 N ATOM 1170 CA ASN A 182 -7.235 6.131 7.668 1.00 16.52 C ATOM 1171 C ASN A 182 -6.185 5.135 7.218 1.00 16.79 C ATOM 1172 O ASN A 182 -4.942 5.390 7.427 1.00 19.99 O ATOM 1173 CB ASN A 182 -7.799 5.901 9.060 1.00 18.11 C ATOM 1174 CG ASN A 182 -8.395 7.158 9.632 1.00 19.17 C ATOM 1175 OD1 ASN A 182 -8.034 8.294 9.214 1.00 27.10 O ATOM 1176 ND2 ASN A 182 -9.342 7.027 10.517 1.00 22.02 N ATOM 1177 HD22 ASN A 182 -9.620 6.080 10.845 1.00 0.00 H ATOM 1178 HD21 ASN A 182 -9.820 7.869 10.896 1.00 0.00 H ATOM 1179 H ASN A 182 -9.266 5.773 6.904 1.00 0.00 H ATOM 1180 N ASP A 183 -6.583 4.017 6.641 1.00 18.94 N ATOM 1181 CA ASP A 183 -5.617 2.928 6.379 1.00 20.30 C ATOM 1182 C ASP A 183 -5.072 2.964 4.953 1.00 21.28 C ATOM 1183 O ASP A 183 -3.973 2.415 4.700 1.00 22.45 O ATOM 1184 CB ASP A 183 -6.197 1.570 6.845 1.00 23.23 C ATOM 1185 CG ASP A 183 -6.442 1.515 8.353 1.00 23.04 C ATOM 1186 OD1 ASP A 183 -5.961 2.369 9.091 1.00 32.08 O ATOM 1187 OD2 ASP A 183 -7.240 0.642 8.809 1.00 30.20 O ATOM 1188 H ASP A 183 -7.580 3.901 6.369 1.00 0.00 H ATOM 1189 N HIS A 184 -5.784 3.541 3.965 1.00 17.68 N ATOM 1190 CA HIS A 184 -5.422 3.440 2.594 1.00 17.05 C ATOM 1191 C HIS A 184 -5.225 4.788 1.876 1.00 18.42 C ATOM 1192 O HIS A 184 -4.504 4.826 0.878 1.00 22.05 O ATOM 1193 CB HIS A 184 -6.365 2.552 1.797 1.00 19.38 C ATOM 1194 CG HIS A 184 -6.376 1.147 2.328 1.00 20.41 C ATOM 1195 ND1 HIS A 184 -5.280 0.287 2.141 1.00 25.32 N ATOM 1196 CD2 HIS A 184 -7.274 0.484 3.080 1.00 23.79 C ATOM 1197 CE1 HIS A 184 -5.553 -0.862 2.732 1.00 22.66 C ATOM 1198 NE2 HIS A 184 -6.760 -0.775 3.310 1.00 24.23 N ATOM 1199 H HIS A 184 -6.635 4.084 4.216 1.00 0.00 H ATOM 1200 N LEU A 185 -5.906 5.846 2.333 1.00 15.88 N ATOM 1201 CA LEU A 185 -5.798 7.168 1.662 1.00 15.08 C ATOM 1202 C LEU A 185 -4.988 8.180 2.459 1.00 17.51 C ATOM 1203 O LEU A 185 -4.665 9.237 1.920 1.00 15.48 O ATOM 1204 CB LEU A 185 -7.167 7.765 1.338 1.00 13.34 C ATOM 1205 CG LEU A 185 -8.039 6.975 0.379 1.00 14.70 C ATOM 1206 CD1 LEU A 185 -9.431 7.597 0.299 1.00 14.23 C ATOM 1207 CD2 LEU A 185 -7.419 6.903 -1.002 1.00 15.99 C ATOM 1208 H LEU A 185 -6.518 5.742 3.167 1.00 0.00 H ATOM 1209 N HIS A 186 -4.602 7.884 3.688 1.00 15.83 N ATOM 1210 CA HIS A 186 -3.983 8.748 4.599 1.00 16.03 C ATOM 1211 C HIS A 186 -2.640 9.261 4.048 1.00 15.48 C ATOM 1212 O HIS A 186 -2.410 10.469 4.166 1.00 16.47 O ATOM 1213 CB HIS A 186 -3.801 8.081 5.983 1.00 17.92 C ATOM 1214 CG HIS A 186 -3.514 9.031 7.084 1.00 20.38 C ATOM 1215 ND1 HIS A 186 -2.236 9.482 7.360 1.00 24.11 N ATOM 1216 CD2 HIS A 186 -4.311 9.556 8.040 1.00 24.68 C ATOM 1217 CE1 HIS A 186 -2.273 10.303 8.377 1.00 23.00 C ATOM 1218 NE2 HIS A 186 -3.540 10.376 8.807 1.00 29.37 N ATOM 1219 H HIS A 186 -4.776 6.911 4.011 1.00 0.00 H ATOM 1220 N THR A 187 -1.813 8.347 3.535 1.00 16.78 N ATOM 1221 CA THR A 187 -0.497 8.769 3.075 1.00 17.03 C ATOM 1222 C THR A 187 -0.636 9.723 1.884 1.00 17.04 C ATOM 1223 O THR A 187 0.024 10.826 1.807 1.00 16.35 O ATOM 1224 CB THR A 187 0.388 7.562 2.767 1.00 20.77 C ATOM 1225 OG1 THR A 187 0.558 6.914 4.032 1.00 22.79 O ATOM 1226 CG2 THR A 187 1.729 7.984 2.229 1.00 21.13 C ATOM 1227 HG1 THR A 187 -0.327 6.644 4.385 1.00 0.00 H ATOM 1228 H THR A 187 -2.103 7.351 3.465 1.00 0.00 H ATOM 1229 N TRP A 188 -1.527 9.370 0.969 1.00 14.84 N ATOM 1230 CA TRP A 188 -1.715 10.192 -0.236 1.00 13.88 C ATOM 1231 C TRP A 188 -2.231 11.568 0.179 1.00 15.44 C ATOM 1232 O TRP A 188 -1.787 12.606 -0.345 1.00 12.09 O ATOM 1233 CB TRP A 188 -2.687 9.556 -1.233 1.00 14.00 C ATOM 1234 CG TRP A 188 -2.882 10.373 -2.481 1.00 13.59 C ATOM 1235 CD1 TRP A 188 -2.188 10.236 -3.649 1.00 14.67 C ATOM 1236 CD2 TRP A 188 -3.750 11.514 -2.685 1.00 12.68 C ATOM 1237 NE1 TRP A 188 -2.583 11.152 -4.577 1.00 14.64 N ATOM 1238 CE2 TRP A 188 -3.578 11.932 -4.016 1.00 13.78 C ATOM 1239 CE3 TRP A 188 -4.679 12.179 -1.868 1.00 12.23 C ATOM 1240 CZ2 TRP A 188 -4.234 13.028 -4.555 1.00 13.57 C ATOM 1241 CZ3 TRP A 188 -5.364 13.259 -2.426 1.00 11.30 C ATOM 1242 CH2 TRP A 188 -5.104 13.697 -3.714 1.00 12.17 C ATOM 1243 HE1 TRP A 188 -2.202 11.248 -5.540 1.00 0.00 H ATOM 1244 H TRP A 188 -2.095 8.509 1.103 1.00 0.00 H ATOM 1245 N ILE A 189 -3.220 11.634 1.089 1.00 13.16 N ATOM 1246 CA ILE A 189 -3.758 12.915 1.557 1.00 13.36 C ATOM 1247 C ILE A 189 -2.668 13.777 2.200 1.00 14.87 C ATOM 1248 O ILE A 189 -2.534 14.944 1.783 1.00 14.69 O ATOM 1249 CB ILE A 189 -4.976 12.710 2.488 1.00 13.57 C ATOM 1250 CG1 ILE A 189 -6.147 12.106 1.692 1.00 13.75 C ATOM 1251 CG2 ILE A 189 -5.347 13.985 3.209 1.00 13.74 C ATOM 1252 CD1 ILE A 189 -7.329 11.694 2.558 1.00 14.65 C ATOM 1253 H ILE A 189 -3.614 10.751 1.471 1.00 0.00 H ATOM 1254 N GLN A 190 -1.820 13.203 3.056 1.00 14.96 N ATOM 1255 CA GLN A 190 -0.751 13.962 3.689 1.00 17.77 C ATOM 1256 C GLN A 190 0.225 14.456 2.601 1.00 15.64 C ATOM 1257 O GLN A 190 0.586 15.656 2.590 1.00 16.28 O ATOM 1258 CB GLN A 190 -0.047 13.066 4.709 1.00 19.72 C ATOM 1259 CG GLN A 190 1.039 13.803 5.492 1.00 25.30 C ATOM 1260 CD GLN A 190 1.461 13.055 6.734 1.00 33.43 C ATOM 1261 OE1 GLN A 190 0.755 13.053 7.755 1.00 40.94 O ATOM 1262 NE2 GLN A 190 2.611 12.406 6.646 1.00 41.41 N ATOM 1263 HE22 GLN A 190 3.162 12.442 5.765 1.00 0.00 H ATOM 1264 HE21 GLN A 190 2.963 11.860 7.458 1.00 0.00 H ATOM 1265 H GLN A 190 -1.925 12.192 3.276 1.00 0.00 H ATOM 1266 N ASP A 191 0.582 13.587 1.679 1.00 14.35 N ATOM 1267 CA ASP A 191 1.619 13.893 0.651 1.00 14.22 C ATOM 1268 C ASP A 191 1.092 14.959 -0.301 1.00 15.91 C ATOM 1269 O ASP A 191 1.891 15.617 -0.955 1.00 17.61 O ATOM 1270 CB ASP A 191 2.060 12.641 -0.077 1.00 15.08 C ATOM 1271 CG ASP A 191 2.955 11.698 0.727 1.00 18.19 C ATOM 1272 OD1 ASP A 191 3.380 12.093 1.775 1.00 20.51 O ATOM 1273 OD2 ASP A 191 3.098 10.563 0.232 1.00 22.44 O ATOM 1274 H ASP A 191 0.125 12.653 1.667 1.00 0.00 H ATOM 1275 N ASN A 192 -0.246 15.096 -0.449 1.00 13.21 N ATOM 1276 CA ASN A 192 -0.848 16.026 -1.394 1.00 13.94 C ATOM 1277 C ASN A 192 -1.328 17.277 -0.650 1.00 13.62 C ATOM 1278 O ASN A 192 -2.052 18.099 -1.249 1.00 15.19 O ATOM 1279 CB ASN A 192 -1.922 15.320 -2.212 1.00 13.36 C ATOM 1280 CG ASN A 192 -1.319 14.511 -3.327 1.00 12.23 C ATOM 1281 OD1 ASN A 192 -1.276 14.950 -4.472 1.00 13.67 O ATOM 1282 ND2 ASN A 192 -0.777 13.333 -2.980 1.00 13.97 N ATOM 1283 HD22 ASN A 192 -0.839 13.002 -1.996 1.00 0.00 H ATOM 1284 HD21 ASN A 192 -0.296 12.751 -3.695 1.00 0.00 H ATOM 1285 H ASN A 192 -0.873 14.510 0.139 1.00 0.00 H ATOM 1286 N GLY A 193 -0.931 17.518 0.586 1.00 12.56 N ATOM 1287 CA GLY A 193 -1.124 18.751 1.282 1.00 12.67 C ATOM 1288 C GLY A 193 -2.356 18.810 2.176 1.00 13.84 C ATOM 1289 O GLY A 193 -2.695 19.904 2.677 1.00 14.52 O ATOM 1290 H GLY A 193 -0.441 16.753 1.091 1.00 0.00 H ATOM 1291 N GLY A 194 -2.979 17.652 2.422 1.00 13.43 N ATOM 1292 CA GLY A 194 -4.070 17.556 3.353 1.00 13.64 C ATOM 1293 C GLY A 194 -5.347 18.173 2.813 1.00 12.82 C ATOM 1294 O GLY A 194 -5.435 18.620 1.684 1.00 12.42 O ATOM 1295 H GLY A 194 -2.664 16.795 1.924 1.00 0.00 H ATOM 1296 N TRP A 195 -6.376 18.164 3.663 1.00 12.72 N ATOM 1297 CA TRP A 195 -7.690 18.705 3.281 1.00 10.85 C ATOM 1298 C TRP A 195 -7.605 20.207 2.968 1.00 11.45 C ATOM 1299 O TRP A 195 -8.436 20.705 2.199 1.00 11.71 O ATOM 1300 CB TRP A 195 -8.763 18.365 4.343 1.00 11.29 C ATOM 1301 CG TRP A 195 -9.120 16.914 4.327 1.00 11.64 C ATOM 1302 CD1 TRP A 195 -8.752 15.899 5.152 1.00 13.88 C ATOM 1303 CD2 TRP A 195 -9.988 16.316 3.354 1.00 11.56 C ATOM 1304 NE1 TRP A 195 -9.309 14.724 4.752 1.00 13.93 N ATOM 1305 CE2 TRP A 195 -10.079 14.943 3.643 1.00 13.13 C ATOM 1306 CE3 TRP A 195 -10.670 16.866 2.270 1.00 11.35 C ATOM 1307 CZ2 TRP A 195 -10.892 14.114 2.876 1.00 12.82 C ATOM 1308 CZ3 TRP A 195 -11.489 16.049 1.506 1.00 12.32 C ATOM 1309 CH2 TRP A 195 -11.574 14.683 1.816 1.00 12.62 C ATOM 1310 HE1 TRP A 195 -9.171 13.804 5.217 1.00 0.00 H ATOM 1311 H TRP A 195 -6.246 17.766 4.615 1.00 0.00 H ATOM 1312 N ASP A 196 -6.621 20.918 3.506 1.00 11.63 N ATOM 1313 CA ASP A 196 -6.480 22.321 3.150 1.00 12.22 C ATOM 1314 C ASP A 196 -6.172 22.433 1.659 1.00 11.00 C ATOM 1315 O ASP A 196 -6.648 23.414 1.017 1.00 11.05 O ATOM 1316 CB ASP A 196 -5.418 23.027 3.985 1.00 14.13 C ATOM 1317 CG ASP A 196 -5.804 23.272 5.432 1.00 17.81 C ATOM 1318 OD1 ASP A 196 -6.966 23.443 5.696 1.00 21.27 O ATOM 1319 OD2 ASP A 196 -4.805 23.315 6.253 1.00 25.15 O ATOM 1320 H ASP A 196 -5.958 20.476 4.175 1.00 0.00 H ATOM 1321 N ALA A 197 -5.324 21.546 1.097 1.00 10.86 N ATOM 1322 CA ALA A 197 -5.010 21.608 -0.332 1.00 10.42 C ATOM 1323 C ALA A 197 -6.260 21.338 -1.191 1.00 9.73 C ATOM 1324 O ALA A 197 -6.461 21.972 -2.234 1.00 10.05 O ATOM 1325 CB ALA A 197 -3.895 20.652 -0.680 1.00 10.52 C ATOM 1326 H ALA A 197 -4.888 20.809 1.687 1.00 0.00 H ATOM 1327 N PHE A 198 -7.107 20.401 -0.748 1.00 9.58 N ATOM 1328 CA PHE A 198 -8.402 20.164 -1.419 1.00 8.83 C ATOM 1329 C PHE A 198 -9.199 21.459 -1.553 1.00 9.32 C ATOM 1330 O PHE A 198 -9.735 21.799 -2.608 1.00 9.01 O ATOM 1331 CB PHE A 198 -9.199 19.128 -0.640 1.00 9.16 C ATOM 1332 CG PHE A 198 -10.621 18.943 -1.102 1.00 9.45 C ATOM 1333 CD1 PHE A 198 -10.902 18.386 -2.337 1.00 9.40 C ATOM 1334 CD2 PHE A 198 -11.676 19.374 -0.335 1.00 9.52 C ATOM 1335 CE1 PHE A 198 -12.185 18.228 -2.788 1.00 9.67 C ATOM 1336 CE2 PHE A 198 -12.966 19.200 -0.779 1.00 10.11 C ATOM 1337 CZ PHE A 198 -13.218 18.599 -2.001 1.00 9.97 C ATOM 1338 H PHE A 198 -6.849 19.830 0.082 1.00 0.00 H ATOM 1339 N VAL A 199 -9.254 22.237 -0.449 1.00 9.91 N ATOM 1340 CA VAL A 199 -9.963 23.516 -0.456 1.00 9.77 C ATOM 1341 C VAL A 199 -9.291 24.549 -1.355 1.00 9.66 C ATOM 1342 O VAL A 199 -9.941 25.298 -2.072 1.00 10.87 O ATOM 1343 CB VAL A 199 -10.161 24.051 0.960 1.00 9.95 C ATOM 1344 CG1 VAL A 199 -10.829 25.415 0.941 1.00 9.73 C ATOM 1345 CG2 VAL A 199 -10.969 23.053 1.771 1.00 11.07 C ATOM 1346 H VAL A 199 -8.783 21.920 0.422 1.00 0.00 H ATOM 1347 N GLU A 200 -7.964 24.596 -1.309 1.00 9.47 N ATOM 1348 CA GLU A 200 -7.215 25.541 -2.201 1.00 10.56 C ATOM 1349 C GLU A 200 -7.577 25.324 -3.659 1.00 10.98 C ATOM 1350 O GLU A 200 -7.671 26.313 -4.421 1.00 13.06 O ATOM 1351 CB GLU A 200 -5.709 25.319 -2.082 1.00 11.14 C ATOM 1352 CG GLU A 200 -5.097 25.762 -0.756 1.00 12.42 C ATOM 1353 CD GLU A 200 -3.645 25.391 -0.555 1.00 14.00 C ATOM 1354 OE1 GLU A 200 -3.048 24.589 -1.310 1.00 12.04 O ATOM 1355 OE2 GLU A 200 -3.046 25.860 0.493 1.00 15.61 O ATOM 1356 H GLU A 200 -7.444 23.977 -0.654 1.00 0.00 H ATOM 1357 N LEU A 201 -7.768 24.052 -4.047 1.00 9.62 N ATOM 1358 CA LEU A 201 -8.029 23.749 -5.470 1.00 10.64 C ATOM 1359 C LEU A 201 -9.516 23.891 -5.829 1.00 10.09 C ATOM 1360 O LEU A 201 -9.868 24.423 -6.869 1.00 11.55 O ATOM 1361 CB LEU A 201 -7.594 22.311 -5.774 1.00 10.64 C ATOM 1362 CG LEU A 201 -6.101 22.056 -5.629 1.00 10.57 C ATOM 1363 CD1 LEU A 201 -5.778 20.604 -5.688 1.00 11.98 C ATOM 1364 CD2 LEU A 201 -5.254 22.828 -6.674 1.00 11.29 C ATOM 1365 H LEU A 201 -7.732 23.283 -3.348 1.00 0.00 H ATOM 1366 N TYR A 202 -10.409 23.419 -4.922 1.00 10.03 N ATOM 1367 CA TYR A 202 -11.820 23.163 -5.269 1.00 10.51 C ATOM 1368 C TYR A 202 -12.810 23.926 -4.398 1.00 11.52 C ATOM 1369 O TYR A 202 -14.042 23.688 -4.580 1.00 12.34 O ATOM 1370 CB TYR A 202 -12.086 21.641 -5.296 1.00 9.80 C ATOM 1371 CG TYR A 202 -11.185 20.923 -6.262 1.00 9.57 C ATOM 1372 CD1 TYR A 202 -11.192 21.230 -7.615 1.00 9.57 C ATOM 1373 CD2 TYR A 202 -10.281 20.006 -5.786 1.00 8.78 C ATOM 1374 CE1 TYR A 202 -10.280 20.631 -8.476 1.00 9.79 C ATOM 1375 CE2 TYR A 202 -9.356 19.420 -6.635 1.00 8.60 C ATOM 1376 CZ TYR A 202 -9.393 19.709 -7.965 1.00 10.04 C ATOM 1377 OH TYR A 202 -8.431 19.199 -8.831 1.00 10.38 O ATOM 1378 HH TYR A 202 -8.458 18.210 -8.807 1.00 0.00 H ATOM 1379 H TYR A 202 -10.088 23.232 -3.951 1.00 0.00 H ATOM 1380 N GLY A 203 -12.336 24.850 -3.586 1.00 12.24 N ATOM 1381 CA GLY A 203 -13.243 25.697 -2.805 1.00 15.66 C ATOM 1382 C GLY A 203 -13.865 26.779 -3.674 1.00 20.34 C ATOM 1383 O GLY A 203 -13.149 27.382 -4.435 1.00 20.89 O ATOM 1384 H GLY A 203 -11.308 24.980 -3.498 1.00 0.00 H TER 1385 GLY A 203 HETATM 1386 O HOH 1 -25.982 15.896 -6.212 1.00 22.59 O HETATM 1387 O HOH 2 -28.297 20.474 -12.643 1.00 43.57 O HETATM 1388 O HOH 3 -32.732 7.003 -3.758 1.00 40.88 O HETATM 1389 O HOH 4 -9.770 21.806 8.678 1.00 25.04 O HETATM 1390 O HOH 5 -19.522 21.773 -9.414 1.00 33.18 O HETATM 1391 O HOH 6 -15.144 20.233 13.588 1.00 38.23 O HETATM 1392 O HOH 7 -27.576 10.115 -19.855 1.00 38.11 O HETATM 1393 O HOH 8 -4.341 23.019 8.653 1.00 37.39 O HETATM 1394 O HOH 9 -3.344 9.543 -9.097 1.00 33.77 O HETATM 1395 O HOH 10 -22.510 22.311 -4.981 1.00 26.88 O HETATM 1396 O HOH 11 -8.053 -1.678 5.295 1.00 30.50 O HETATM 1397 O HOH 12 1.334 9.454 -1.255 1.00 35.73 O HETATM 1398 O HOH 13 -0.497 25.696 0.697 1.00 23.25 O HETATM 1399 O HOH 14 -15.177 4.390 12.779 1.00 29.96 O HETATM 1400 O HOH 15 -11.072 -5.540 2.715 1.00 19.94 O HETATM 1401 O HOH 16 -18.058 8.319 -16.374 1.00 34.63 O HETATM 1402 O HOH 17 -13.108 28.228 -6.902 1.00 46.72 O HETATM 1403 O HOH 18 -11.554 17.133 -14.658 1.00 32.97 O HETATM 1404 O HOH 19 -8.008 0.092 -2.992 1.00 32.49 O HETATM 1405 O HOH 20 -11.726 26.164 -7.623 1.00 24.27 O HETATM 1406 O HOH 21 -26.903 -11.692 2.153 1.00 33.08 O HETATM 1407 O HOH 22 -1.675 14.055 7.419 1.00 33.49 O HETATM 1408 O HOH 23 0.246 17.617 4.344 1.00 31.12 O HETATM 1409 O HOH 24 -25.368 13.987 -4.265 1.00 12.41 O HETATM 1410 O HOH 25 -25.870 0.234 12.885 1.00 28.09 O HETATM 1411 O HOH 26 -13.128 27.315 10.754 1.00 14.88 O HETATM 1412 O HOH 27 -21.352 -7.218 4.429 1.00 12.88 O HETATM 1413 O HOH 28 -7.358 -2.053 8.677 1.00 34.98 O HETATM 1414 O HOH 29 -29.215 7.256 -4.547 1.00 27.58 O HETATM 1415 O HOH 30 -8.575 23.816 7.840 1.00 28.57 O HETATM 1416 O HOH 31 -20.725 20.295 8.727 1.00 39.04 O HETATM 1417 O HOH 32 -24.201 22.142 -2.782 1.00 23.23 O HETATM 1418 O HOH 33 -18.608 -3.419 11.084 1.00 12.00 O HETATM 1419 O HOH 34 -7.330 16.896 -7.896 1.00 11.77 O HETATM 1420 O HOH 35 -23.479 17.592 8.185 1.00 25.53 O HETATM 1421 O HOH 36 -12.813 -0.082 5.100 1.00 20.82 O HETATM 1422 O HOH 37 -27.191 16.916 -4.406 1.00 20.20 O HETATM 1423 O HOH 38 -28.422 12.765 -0.428 1.00 13.88 O HETATM 1424 O HOH 39 -34.110 0.212 8.765 1.00 33.30 O HETATM 1425 O HOH 40 -1.113 13.389 -6.729 1.00 17.71 O HETATM 1426 O HOH 41 -22.810 16.801 -16.930 1.00 33.74 O HETATM 1427 O HOH 42 -14.872 6.457 -14.032 1.00 30.96 O HETATM 1428 O HOH 43 -32.826 1.829 -12.614 1.00 27.89 O HETATM 1429 O HOH 44 -29.325 13.327 8.841 1.00 23.49 O HETATM 1430 O HOH 45 -17.539 16.366 6.052 1.00 13.95 O HETATM 1431 O HOH 46 -7.558 0.288 -5.844 1.00 24.95 O HETATM 1432 O HOH 47 -14.654 16.668 -13.780 1.00 29.53 O HETATM 1433 O HOH 48 -11.377 8.301 -12.659 1.00 36.05 O HETATM 1434 O HOH 49 -8.064 10.691 10.616 1.00 29.92 O HETATM 1435 O HOH 50 -3.566 12.898 -7.969 1.00 16.59 O HETATM 1436 O HOH 51 -22.507 16.161 -0.972 1.00 11.60 O HETATM 1437 O HOH 52 -2.365 4.779 6.550 1.00 29.02 O HETATM 1438 O HOH 53 -4.891 3.086 -5.214 1.00 40.32 O HETATM 1439 O HOH 54 -16.416 22.507 -3.671 1.00 13.47 O HETATM 1440 O HOH 55 -24.595 -5.797 -1.522 1.00 21.86 O HETATM 1441 O HOH 56 -8.619 4.756 -10.756 1.00 26.44 O HETATM 1442 O HOH 57 -2.349 6.620 0.651 1.00 19.36 O HETATM 1443 O HOH 58 -12.485 -1.537 2.327 1.00 33.23 O HETATM 1444 O HOH 59 -25.121 10.817 -23.925 1.00 40.09 O HETATM 1445 O HOH 60 -3.514 16.466 -5.284 1.00 12.69 O HETATM 1446 O HOH 61 -19.610 4.152 12.609 1.00 21.30 O HETATM 1447 O HOH 62 -22.494 -13.127 3.097 1.00 28.83 O HETATM 1448 O HOH 63 -22.358 19.868 -11.368 1.00 32.17 O HETATM 1449 O HOH 64 -10.290 9.670 11.902 1.00 30.21 O HETATM 1450 O HOH 65 -17.036 24.994 -2.626 1.00 22.97 O HETATM 1451 O HOH 66 -7.804 0.445 11.600 1.00 34.02 O HETATM 1452 O HOH 67 -26.711 2.383 11.482 1.00 20.51 O HETATM 1453 O HOH 68 -24.389 10.433 -2.501 1.00 10.84 O HETATM 1454 O HOH 69 -5.030 20.157 5.783 1.00 19.12 O HETATM 1455 O HOH 70 -21.519 18.723 6.386 1.00 28.25 O HETATM 1456 O HOH 71 -12.809 -4.411 -7.788 1.00 26.71 O HETATM 1457 O HOH 72 -11.275 -2.156 -1.394 1.00 32.86 O HETATM 1458 O HOH 73 -21.135 13.598 -17.731 1.00 38.46 O HETATM 1459 O HOH 74 -15.880 28.341 -4.357 1.00 36.16 O HETATM 1460 O HOH 75 -15.384 25.759 11.441 1.00 18.32 O HETATM 1461 O HOH 76 -11.735 3.702 -12.126 1.00 36.60 O HETATM 1462 O HOH 77 -8.917 19.557 -12.350 1.00 11.73 O HETATM 1463 O HOH 78 -19.568 17.483 4.721 1.00 18.91 O HETATM 1464 O HOH 79 -2.518 5.498 3.765 1.00 24.56 O HETATM 1465 O HOH 80 -24.911 19.809 -13.668 1.00 35.63 O HETATM 1466 O HOH 81 -23.943 21.776 -9.720 1.00 40.46 O HETATM 1467 O HOH 82 -22.312 10.104 -15.628 1.00 21.09 O HETATM 1468 O HOH 83 -0.776 22.911 -0.444 1.00 27.17 O HETATM 1469 O HOH 84 -5.551 17.244 6.360 1.00 20.47 O HETATM 1470 O HOH 85 -8.951 15.159 -14.135 1.00 30.20 O HETATM 1471 O HOH 86 -24.112 12.058 -16.653 1.00 31.30 O HETATM 1472 O HOH 87 -9.746 10.876 -12.836 1.00 31.33 O HETATM 1473 O HOH 88 -27.153 10.823 -2.174 1.00 18.87 O HETATM 1474 O HOH 89 -4.233 8.785 -11.310 1.00 40.03 O HETATM 1475 O HOH 90 -18.893 -7.545 -4.889 1.00 35.34 O HETATM 1476 O HOH 91 -28.966 20.277 -0.008 1.00 30.24 O HETATM 1477 O HOH 92 -9.357 13.149 -12.756 1.00 47.10 O HETATM 1478 O HOH 93 -21.291 -7.993 -3.350 1.00 34.46 O HETATM 1479 O HOH 94 -27.608 -10.753 4.633 1.00 22.66 O HETATM 1480 O HOH 95 -10.825 -3.452 -8.541 1.00 40.35 O HETATM 1481 O HOH 96 -6.011 3.683 -2.943 1.00 34.11 O HETATM 1482 O HOH 97 -32.024 -2.128 9.761 1.00 28.94 O HETATM 1483 O HOH 98 -15.636 28.410 -6.064 1.00 39.14 O HETATM 1484 O HOH 99 -12.065 12.600 13.393 1.00 27.36 O HETATM 1485 O HOH 100 -21.750 3.785 -12.101 1.00 31.09 O HETATM 1486 O HOH 101 -0.167 20.586 -1.828 1.00 18.82 O HETATM 1487 O HOH 102 -1.866 8.143 -7.634 1.00 32.57 O HETATM 1488 O HOH 103 -19.480 23.167 -11.242 1.00 39.14 O HETATM 1489 O HOH 104 -15.286 29.467 -3.147 1.00 36.20 O HETATM 1490 O HOH 105 -5.302 15.276 -6.993 1.00 13.27 O HETATM 1491 O HOH 106 -26.601 20.425 -16.453 1.00 38.73 O HETATM 1492 O HOH 107 1.938 19.019 -0.649 1.00 27.27 O HETATM 1493 O HOH 108 -19.949 -11.148 0.511 1.00 17.86 O HETATM 1494 O HOH 109 -1.498 3.463 2.325 1.00 37.26 O HETATM 1495 O HOH 110 -2.781 15.944 6.318 1.00 36.56 O HETATM 1496 O HOH 111 -12.629 6.020 -11.727 1.00 37.98 O HETATM 1497 O HOH 112 -13.687 20.847 -13.434 1.00 28.62 O HETATM 1498 O HOH 113 -10.259 -0.330 4.534 1.00 30.32 O HETATM 1499 O HOH 114 -23.635 13.323 -18.325 1.00 38.36 O HETATM 1500 O HOH 115 -6.229 -1.905 11.595 1.00 36.88 O HETATM 1501 O HOH 116 -10.822 -2.139 0.865 1.00 39.50 O HETATM 1502 O HOH 117 -1.169 17.939 5.928 1.00 40.19 O HETATM 1503 O HOH 118 -20.743 -10.595 -2.107 1.00 23.71 O HETATM 1504 O HOH 119 -17.468 28.052 -3.776 1.00 37.95 O HETATM 1505 O HOH 120 -22.472 -12.339 -3.455 1.00 38.71 O HETATM 1506 C1 J A 1 -18.478 6.502 -7.775 1.00 -0.06 C HETATM 1507 C2 J A 1 -19.525 7.177 -7.177 1.00 -0.05 C HETATM 1508 C3 J A 1 -20.788 7.210 -7.757 1.00 0.04 C HETATM 1509 CL4 J A 1 -22.126 8.076 -6.986 1.00 -0.07 CL HETATM 1510 C5 J A 1 -21.013 6.553 -8.963 1.00 -0.05 C HETATM 1511 C6 J A 1 -19.976 5.882 -9.558 1.00 -0.06 C HETATM 1512 C7 J A 1 -18.698 5.840 -8.988 1.00 -0.02 C HETATM 1513 C8 J A 1 -17.631 5.096 -9.684 1.00 -0.01 C HETATM 1514 C9 J A 1 -17.124 4.004 -8.908 1.00 -0.06 C HETATM 1515 C10 J A 1 -16.128 3.187 -9.376 1.00 -0.07 C HETATM 1516 C11 J A 1 -15.606 3.432 -10.632 1.00 -0.07 C HETATM 1517 C12 J A 1 -16.076 4.480 -11.407 1.00 -0.05 C HETATM 1518 C13 J A 1 -17.114 5.335 -10.925 1.00 0.01 C HETATM 1519 C14 J A 1 -17.598 6.442 -11.763 1.00 0.00 C HETATM 1520 N15 J A 1 -16.442 7.427 -11.981 1.00 0.25 N HETATM 1521 C18 J A 1 -15.912 7.941 -10.658 1.00 -0.01 C HETATM 1522 C19 J A 1 -14.765 8.948 -10.866 1.00 0.07 C HETATM 1523 N20 J A 1 -15.158 9.990 -11.765 1.00 -0.30 N HETATM 1524 C17 J A 1 -15.888 9.624 -12.995 1.00 0.07 C HETATM 1525 C16 J A 1 -16.971 8.576 -12.732 1.00 -0.01 C HETATM 1526 H16 J A 1 -17.782 9.039 -12.151 1.00 0.08 H HETATM 1527 H17 J A 1 -17.366 8.221 -13.695 1.00 0.08 H HETATM 1528 H18 J A 1 -16.361 10.527 -13.408 1.00 0.06 H HETATM 1529 H19 J A 1 -15.172 9.218 -13.725 1.00 0.06 H HETATM 1530 C21 J A 1 -14.365 11.178 -11.783 1.00 0.05 C HETATM 1531 C24 J A 1 -14.637 12.196 -12.685 1.00 -0.04 C HETATM 1532 C25 J A 1 -13.870 13.346 -12.703 1.00 -0.05 C HETATM 1533 C26 J A 1 -12.824 13.480 -11.811 1.00 0.04 C HETATM 1534 C23 J A 1 -12.556 12.468 -10.916 1.00 -0.05 C HETATM 1535 C22 J A 1 -13.325 11.337 -10.913 1.00 -0.04 C HETATM 1536 H22 J A 1 -13.104 10.548 -10.203 1.00 0.05 H HETATM 1537 H23 J A 1 -11.736 12.568 -10.214 1.00 0.06 H HETATM 1538 C27 J A 1 -11.972 14.746 -11.822 1.00 0.22 C HETATM 1539 O28 J A 1 -12.334 15.744 -12.567 1.00 -0.39 O HETATM 1540 N29 J A 1 -11.001 14.848 -10.888 1.00 -0.16 N HETATM 1541 S30 J A 1 -10.239 16.188 -10.551 1.00 0.09 S HETATM 1542 O31 J A 1 -9.327 15.859 -9.453 1.00 -0.15 O HETATM 1543 O32 J A 1 -9.590 16.793 -11.741 1.00 -0.15 O HETATM 1544 C33 J A 1 -11.429 17.324 -9.953 1.00 0.11 C HETATM 1545 C34 J A 1 -11.796 17.246 -8.623 1.00 -0.00 C HETATM 1546 C35 J A 1 -12.727 18.111 -8.100 1.00 0.22 C HETATM 1547 N36 J A 1 -13.029 17.928 -6.683 1.00 0.31 N HETATM 1548 O38 J A 1 -12.429 17.073 -6.075 1.00 0.17 O HETATM 1549 O37 J A 1 -13.907 18.657 -6.101 1.00 0.17 O HETATM 1550 C41 J A 1 -13.315 19.080 -8.895 1.00 0.08 C HETATM 1551 C40 J A 1 -12.962 19.187 -10.260 1.00 -0.03 C HETATM 1552 C39 J A 1 -12.012 18.305 -10.800 1.00 -0.04 C HETATM 1553 H26 J A 1 -11.729 18.371 -11.844 1.00 0.06 H HETATM 1554 H27 J A 1 -13.421 19.944 -10.885 1.00 0.05 H HETATM 1555 N42 J A 1 -14.274 19.953 -8.301 1.00 -0.31 N HETATM 1556 C43 J A 1 -14.972 20.906 -9.026 1.00 0.05 C HETATM 1557 C44 J A 1 -15.676 21.836 -7.957 1.00 0.01 C HETATM 1558 C45 J A 1 -16.344 23.024 -8.640 1.00 -0.03 C HETATM 1559 N46 J A 1 -16.884 24.037 -7.649 1.00 0.25 N HETATM 1560 C47 J A 1 -17.628 23.339 -6.573 1.00 -0.04 C HETATM 1561 H34 J A 1 -18.017 24.078 -5.857 1.00 0.08 H HETATM 1562 H35 J A 1 -16.953 22.644 -6.052 1.00 0.08 H HETATM 1563 H36 J A 1 -18.466 22.777 -7.011 1.00 0.08 H HETATM 1564 C49 J A 1 -17.794 24.968 -8.356 1.00 -0.04 C HETATM 1565 H37 J A 1 -17.241 25.485 -9.154 1.00 0.08 H HETATM 1566 H38 J A 1 -18.188 25.708 -7.644 1.00 0.08 H HETATM 1567 H39 J A 1 -18.629 24.402 -8.796 1.00 0.08 H HETATM 1568 C48 J A 1 -15.786 24.781 -7.077 1.00 0.02 C HETATM 1569 C58 J A 1 -14.840 25.146 -8.214 1.00 0.08 C HETATM 1570 O60 J A 1 -13.736 24.603 -8.299 1.00 -0.56 O HETATM 1571 O59 J A 1 -15.179 25.987 -9.054 1.00 -0.56 O HETATM 1572 H40 J A 1 -15.260 24.163 -6.334 1.00 0.10 H HETATM 1573 H41 J A 1 -16.163 25.695 -6.594 1.00 0.10 H HETATM 1574 H32 J A 1 -17.177 22.654 -9.255 1.00 0.08 H HETATM 1575 H33 J A 1 -15.605 23.521 -9.285 1.00 0.08 H HETATM 1576 H30 J A 1 -14.922 22.204 -7.245 1.00 0.03 H HETATM 1577 H31 J A 1 -16.437 21.254 -7.417 1.00 0.03 H HETATM 1578 C50 J A 1 -16.032 20.266 -9.965 1.00 0.03 C HETATM 1579 S51 J A 1 -17.257 19.170 -9.128 1.00 -0.10 S HETATM 1580 C52 J A 1 -16.399 17.588 -9.235 1.00 0.02 C HETATM 1581 C53 J A 1 -16.028 17.064 -10.441 1.00 -0.05 C HETATM 1582 C54 J A 1 -15.379 15.863 -10.476 1.00 -0.07 C HETATM 1583 C55 J A 1 -15.101 15.183 -9.291 1.00 -0.07 C HETATM 1584 C56 J A 1 -15.482 15.731 -8.120 1.00 -0.07 C HETATM 1585 C57 J A 1 -16.114 16.900 -8.084 1.00 -0.05 C HETATM 1586 H48 J A 1 -16.409 17.317 -7.128 1.00 0.06 H HETATM 1587 H47 J A 1 -15.270 15.210 -7.193 1.00 0.06 H HETATM 1588 H46 J A 1 -14.587 14.229 -9.311 1.00 0.06 H HETATM 1589 H45 J A 1 -15.079 15.438 -11.427 1.00 0.06 H HETATM 1590 H44 J A 1 -16.246 17.596 -11.360 1.00 0.06 H HETATM 1591 H42 J A 1 -15.501 19.669 -10.721 1.00 0.04 H HETATM 1592 H43 J A 1 -16.584 21.079 -10.460 1.00 0.04 H HETATM 1593 H29 J A 1 -14.270 21.496 -9.634 1.00 0.06 H HETATM 1594 H28 J A 1 -14.456 19.872 -7.290 1.00 0.18 H HETATM 1595 H25 J A 1 -11.345 16.494 -7.985 1.00 0.07 H HETATM 1596 H24 J A 1 -10.750 14.024 -10.380 1.00 0.21 H HETATM 1597 H21 J A 1 -14.088 14.137 -13.412 1.00 0.06 H HETATM 1598 H20 J A 1 -15.459 12.089 -13.383 1.00 0.05 H HETATM 1599 H14 J A 1 -13.894 8.421 -11.284 1.00 0.06 H HETATM 1600 H15 J A 1 -14.495 9.392 -9.896 1.00 0.06 H HETATM 1601 H12 J A 1 -15.540 7.091 -10.067 1.00 0.08 H HETATM 1602 H13 J A 1 -16.729 8.437 -10.113 1.00 0.08 H HETATM 1603 H11 J A 1 -15.701 6.978 -12.496 1.00 0.20 H HETATM 1604 H9 J A 1 -18.431 6.953 -11.258 1.00 0.10 H HETATM 1605 H10 J A 1 -17.941 6.051 -12.732 1.00 0.10 H HETATM 1606 H8 J A 1 -15.652 4.653 -12.389 1.00 0.06 H HETATM 1607 H7 J A 1 -14.818 2.795 -11.016 1.00 0.06 H HETATM 1608 H6 J A 1 -15.757 2.366 -8.774 1.00 0.06 H HETATM 1609 H5 J A 1 -17.539 3.819 -7.924 1.00 0.06 H HETATM 1610 H4 J A 1 -20.151 5.369 -10.497 1.00 0.06 H HETATM 1611 H3 J A 1 -21.993 6.572 -9.425 1.00 0.06 H HETATM 1612 H2 J A 1 -19.358 7.691 -6.237 1.00 0.06 H HETATM 1613 H1 J A 1 -17.499 6.486 -7.310 1.00 0.06 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 261 262 269 270 271 CONECT 269 261 CONECT 270 261 CONECT 271 261 CONECT 1506 1507 1512 1613 CONECT 1507 1506 1508 1612 CONECT 1508 1507 1509 1510 CONECT 1509 1508 CONECT 1510 1508 1511 1611 CONECT 1511 1510 1512 1610 CONECT 1512 1506 1511 1513 CONECT 1513 1512 1514 1518 CONECT 1514 1513 1515 1609 CONECT 1515 1514 1516 1608 CONECT 1516 1515 1517 1607 CONECT 1517 1516 1518 1606 CONECT 1518 1513 1517 1519 CONECT 1519 1518 1520 1604 1605 CONECT 1520 1519 1521 1525 1603 CONECT 1521 1520 1522 1601 1602 CONECT 1522 1521 1523 1599 1600 CONECT 1523 1522 1524 1530 CONECT 1524 1523 1525 1528 1529 CONECT 1525 1520 1524 1526 1527 CONECT 1526 1525 CONECT 1527 1525 CONECT 1528 1524 CONECT 1529 1524 CONECT 1530 1523 1531 1535 CONECT 1531 1530 1532 1598 CONECT 1532 1531 1533 1597 CONECT 1533 1532 1534 1538 CONECT 1534 1533 1535 1537 CONECT 1535 1530 1534 1536 CONECT 1536 1535 CONECT 1537 1534 CONECT 1538 1533 1539 1540 CONECT 1539 1538 CONECT 1540 1538 1541 1596 CONECT 1541 1540 1542 1543 1544 CONECT 1542 1541 CONECT 1543 1541 CONECT 1544 1541 1545 1552 CONECT 1545 1544 1546 1595 CONECT 1546 1545 1547 1550 CONECT 1547 1546 1548 1549 CONECT 1548 1547 CONECT 1549 1547 CONECT 1550 1546 1551 1555 CONECT 1551 1550 1552 1554 CONECT 1552 1544 1551 1553 CONECT 1553 1552 CONECT 1554 1551 CONECT 1555 1550 1556 1594 CONECT 1556 1555 1557 1578 1593 CONECT 1557 1556 1558 1576 1577 CONECT 1558 1557 1559 1574 1575 CONECT 1559 1558 1560 1564 1568 CONECT 1560 1559 1561 1562 1563 CONECT 1561 1560 CONECT 1562 1560 CONECT 1563 1560 CONECT 1564 1559 1565 1566 1567 CONECT 1565 1564 CONECT 1566 1564 CONECT 1567 1564 CONECT 1568 1559 1569 1572 1573 CONECT 1569 1568 1570 1571 CONECT 1570 1569 CONECT 1571 1569 CONECT 1572 1568 CONECT 1573 1568 CONECT 1574 1558 CONECT 1575 1558 CONECT 1576 1557 CONECT 1577 1557 CONECT 1578 1556 1579 1591 1592 CONECT 1579 1578 1580 CONECT 1580 1579 1581 1585 CONECT 1581 1580 1582 1590 CONECT 1582 1581 1583 1589 CONECT 1583 1582 1584 1588 CONECT 1584 1583 1585 1587 CONECT 1585 1580 1584 1586 CONECT 1586 1585 CONECT 1587 1584 CONECT 1588 1583 CONECT 1589 1582 CONECT 1590 1581 CONECT 1591 1578 CONECT 1592 1578 CONECT 1593 1556 CONECT 1594 1555 CONECT 1595 1545 CONECT 1596 1540 CONECT 1597 1532 CONECT 1598 1531 CONECT 1599 1522 CONECT 1600 1522 CONECT 1601 1521 CONECT 1602 1521 CONECT 1603 1520 CONECT 1604 1519 CONECT 1605 1519 CONECT 1606 1517 CONECT 1607 1516 CONECT 1608 1515 CONECT 1609 1514 CONECT 1610 1511 CONECT 1611 1510 CONECT 1612 1507 CONECT 1613 1506 MASTER 0 0 0 0 0 0 0 0 1611 2 116 11 END
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Structure:
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Related entries of code: 6qgg
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
6qgk
RCSB PDB
PDBbind
177aa, >6QGK_1|Chain... at 98%
6qgj
RCSB PDB
PDBbind
177aa, >6QGJ_1|Chain... at 100%
6qgh
RCSB PDB
PDBbind
177aa, >6QGH_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6qgg
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
human Bcl-2
Ligand Name
J1H
EC.Number
E.C.-.-.-.-
Resolution
1.5(Å)
Affinity (Kd/Ki/IC50)
Ki=0.5uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Acs Omega Vol. 4: pp. 8892-8906
Ligand Properties
Formula
C
4
4
H
4
9
ClN
6
O
7
S
2
Molecular Weight
873.479
Exact Mass
872.279
No. of atoms
109
No. of bonds
114
Polar Surface Area
199.75
LOGP Value
7.26 (
Computed with XLOGP3
)
9.77 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 17
No. of Nitrogen and Oxygen Atoms: 13
No. of Rings: 6
Canonical SMILES
OC(=O)C[N+](CC[C@@H](Nc1ccc(cc1N(=O)=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CC[N@H+](CC1)Cc1ccccc1c1ccc(cc1)Cl)CSc1ccccc1)(C)C
InChI String
InChI=1S/C44H47ClN6O7S2/c1-51(2,30-43(52)53)27-22-36(31-59-38-9-4-3-5-10-38)46-41-21-20-39(28-42(41)50(55)56)60(57,58)47-44(54)33-14-18-37(19-15-33)49-25-23-48(24-26-49)29-34-8-6-7-11-40(34)32-12-16-35(45)17-13-32/h3-21,28,36,46H,22-27,29-31H2,1-2H3,(H-,47,52,53,54)/p+2/t36-/m1/s1
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Comprehensive collection of chemical and biological data
UniProtKB AC
No matched UniProt accession number (AC) found!
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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