Browse entries in the PDBbind-CN Database
HEADER 6GL8_COMPLEX COMPND 6GL8_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 29 GLY SER TYR ASP ASN ARG GLU ILE VAL MET LYS TYR ILE SEQRES 2 A 29 HIS TYR LYS LEU SER GLN ARG GLY TYR GLU TRP ASP ALA SEQRES 3 A 29 GLY ALA ASP SEQRES 1 A 115 GLU SER GLU VAL VAL HIS LYS THR LEU ARG GLU ALA GLY SEQRES 2 A 115 ASP ASP PHE SER ARG ARG TYR ARG ARG ASP PHE ALA GLU SEQRES 3 A 115 MET SER SER GLN LEU HIS LEU THR PRO PHE THR ALA ARG SEQRES 4 A 115 GLY ARG PHE ALA THR VAL VAL GLU GLU LEU PHE ARG ASP SEQRES 5 A 115 GLY VAL ASN TRP GLY ARG ILE VAL ALA PHE PHE GLU PHE SEQRES 6 A 115 GLY GLY VAL MET CYS VAL GLU SER VAL ASN ARG GLU MET SEQRES 7 A 115 SER PRO LEU VAL ASP ASN ILE ALA LEU TRP MET THR GLU SEQRES 8 A 115 TYR LEU ASN ARG HIS LEU HIS THR TRP ILE GLN ASP ASN SEQRES 9 A 115 GLY GLY TRP ASP ALA PHE VAL GLU LEU TYR GLY HET F A 3Q 96 ATOM 1 N GLY A 7 3.685 7.789 -9.557 1.00 32.08 N ATOM 2 CA GLY A 7 2.274 7.610 -9.151 1.00 26.39 C ATOM 3 C GLY A 7 2.004 8.104 -7.740 1.00 24.24 C ATOM 4 O GLY A 7 2.940 8.287 -6.889 1.00 24.93 O ATOM 5 HN3 GLY A 7 4.301 7.258 -8.909 1.00 0.00 H ATOM 6 HN2 GLY A 7 3.930 8.799 -9.520 1.00 0.00 H ATOM 7 HN1 GLY A 7 3.813 7.436 -10.527 1.00 0.00 H ATOM 8 N SER A 8 0.705 8.219 -7.450 1.00 19.04 N ATOM 9 CA SER A 8 0.203 8.599 -6.132 1.00 18.77 C ATOM 10 C SER A 8 -0.713 7.478 -5.668 1.00 20.98 C ATOM 11 O SER A 8 -1.457 6.889 -6.455 1.00 21.64 O ATOM 12 CB SER A 8 -0.545 9.901 -6.177 1.00 20.06 C ATOM 13 OG SER A 8 0.316 10.998 -6.474 1.00 22.13 O ATOM 14 HG SER A 8 -0.213 11.835 -6.495 1.00 0.00 H ATOM 15 H SER A 8 0.014 8.028 -8.203 1.00 0.00 H ATOM 16 N TYR A 9 -0.701 7.199 -4.358 1.00 19.79 N ATOM 17 CA TYR A 9 -1.364 6.094 -3.819 1.00 22.01 C ATOM 18 C TYR A 9 -2.267 6.545 -2.665 1.00 23.40 C ATOM 19 O TYR A 9 -2.322 7.695 -2.252 1.00 24.16 O ATOM 20 CB TYR A 9 -0.322 5.070 -3.370 1.00 20.97 C ATOM 21 CG TYR A 9 0.467 4.519 -4.518 1.00 20.23 C ATOM 22 CD1 TYR A 9 1.622 5.150 -4.953 1.00 21.29 C ATOM 23 CD2 TYR A 9 -0.063 3.492 -5.276 1.00 22.07 C ATOM 24 CE1 TYR A 9 2.297 4.703 -6.086 1.00 22.64 C ATOM 25 CE2 TYR A 9 0.593 3.047 -6.417 1.00 25.51 C ATOM 26 CZ TYR A 9 1.779 3.641 -6.811 1.00 25.37 C ATOM 27 OH TYR A 9 2.419 3.208 -7.937 1.00 28.37 O ATOM 28 HH TYR A 9 3.245 3.738 -8.070 1.00 0.00 H ATOM 29 H TYR A 9 -0.178 7.829 -3.717 1.00 0.00 H ATOM 30 N ASP A 10 -2.887 5.575 -2.032 1.00 21.39 N ATOM 31 CA ASP A 10 -3.764 5.809 -0.934 1.00 19.93 C ATOM 32 C ASP A 10 -3.015 5.327 0.305 1.00 18.89 C ATOM 33 O ASP A 10 -2.850 4.135 0.495 1.00 18.39 O ATOM 34 CB ASP A 10 -5.092 5.107 -1.155 1.00 18.30 C ATOM 35 CG ASP A 10 -6.114 5.298 -0.061 1.00 21.75 C ATOM 36 OD1 ASP A 10 -5.702 5.431 1.090 1.00 20.97 O ATOM 37 OD2 ASP A 10 -7.332 5.270 -0.354 1.00 24.69 O ATOM 38 H ASP A 10 -2.731 4.596 -2.345 1.00 0.00 H ATOM 39 N ASN A 11 -2.504 6.274 1.080 1.00 19.08 N ATOM 40 CA ASN A 11 -1.602 5.932 2.146 1.00 20.49 C ATOM 41 C ASN A 11 -2.354 5.131 3.222 1.00 16.77 C ATOM 42 O ASN A 11 -1.792 4.209 3.828 1.00 16.50 O ATOM 43 CB ASN A 11 -0.870 7.167 2.682 1.00 22.22 C ATOM 44 CG ASN A 11 0.343 7.590 1.893 1.00 24.33 C ATOM 45 OD1 ASN A 11 1.218 6.771 1.589 1.00 25.72 O ATOM 46 ND2 ASN A 11 0.518 8.907 1.765 1.00 29.59 N ATOM 47 HD22 ASN A 11 -0.245 9.561 2.033 1.00 0.00 H ATOM 48 HD21 ASN A 11 1.417 9.279 1.398 1.00 0.00 H ATOM 49 H ASN A 11 -2.757 7.269 0.916 1.00 0.00 H ATOM 50 N ARG A 12 -3.622 5.396 3.477 1.00 15.77 N ATOM 51 CA ARG A 12 -4.421 4.594 4.371 1.00 15.61 C ATOM 52 C ARG A 12 -4.390 3.127 3.925 1.00 16.48 C ATOM 53 O ARG A 12 -4.250 2.186 4.746 1.00 16.99 O ATOM 54 CB ARG A 12 -5.863 5.087 4.496 1.00 17.28 C ATOM 55 CG ARG A 12 -6.662 4.298 5.513 1.00 21.26 C ATOM 56 CD ARG A 12 -8.084 4.772 5.574 1.00 25.67 C ATOM 57 NE ARG A 12 -8.793 4.168 6.682 1.00 26.80 N ATOM 58 CZ ARG A 12 -9.675 3.189 6.578 1.00 32.04 C ATOM 59 NH1 ARG A 12 -10.378 2.829 7.637 1.00 37.41 N ATOM 60 NH2 ARG A 12 -9.829 2.549 5.438 1.00 35.14 N ATOM 61 HE ARG A 12 -8.593 4.533 7.635 1.00 0.00 H ATOM 62 HH12 ARG A 12 -11.074 2.060 7.562 1.00 0.00 H ATOM 63 HH11 ARG A 12 -10.236 3.315 8.545 1.00 0.00 H ATOM 64 HH22 ARG A 12 -10.525 1.780 5.363 1.00 0.00 H ATOM 65 HH21 ARG A 12 -9.255 2.813 4.612 1.00 0.00 H ATOM 66 H ARG A 12 -4.063 6.217 3.014 1.00 0.00 H ATOM 67 N GLU A 13 -4.619 2.853 2.654 1.00 16.43 N ATOM 68 CA GLU A 13 -4.591 1.498 2.151 1.00 17.27 C ATOM 69 C GLU A 13 -3.208 0.870 2.342 1.00 16.04 C ATOM 70 O GLU A 13 -3.120 -0.346 2.691 1.00 17.15 O ATOM 71 CB GLU A 13 -4.943 1.467 0.654 1.00 22.57 C ATOM 72 CG GLU A 13 -4.831 0.104 -0.025 1.00 31.26 C ATOM 73 CD GLU A 13 -4.655 0.119 -1.547 1.00 45.15 C ATOM 74 OE1 GLU A 13 -5.150 1.084 -2.186 1.00 55.82 O ATOM 75 OE2 GLU A 13 -4.036 -0.842 -2.114 1.00 50.32 O ATOM 76 H GLU A 13 -4.825 3.633 1.997 1.00 0.00 H ATOM 77 N ILE A 14 -2.140 1.625 2.182 1.00 14.94 N ATOM 78 CA ILE A 14 -0.817 1.093 2.387 1.00 14.33 C ATOM 79 C ILE A 14 -0.666 0.653 3.841 1.00 14.89 C ATOM 80 O ILE A 14 -0.186 -0.464 4.146 1.00 16.19 O ATOM 81 CB ILE A 14 0.243 2.115 1.966 1.00 17.25 C ATOM 82 CG1 ILE A 14 0.160 2.386 0.460 1.00 19.98 C ATOM 83 CG2 ILE A 14 1.637 1.657 2.381 1.00 17.81 C ATOM 84 CD1 ILE A 14 1.077 3.487 -0.028 1.00 21.45 C ATOM 85 H ILE A 14 -2.254 2.620 1.903 1.00 0.00 H ATOM 86 N VAL A 15 -1.089 1.495 4.766 1.00 13.34 N ATOM 87 CA VAL A 15 -1.030 1.138 6.207 1.00 14.17 C ATOM 88 C VAL A 15 -1.876 -0.103 6.505 1.00 13.91 C ATOM 89 O VAL A 15 -1.469 -1.052 7.176 1.00 13.60 O ATOM 90 CB VAL A 15 -1.479 2.327 7.065 1.00 13.24 C ATOM 91 CG1 VAL A 15 -1.722 1.920 8.508 1.00 14.03 C ATOM 92 CG2 VAL A 15 -0.483 3.444 6.970 1.00 13.54 C ATOM 93 H VAL A 15 -1.469 2.421 4.482 1.00 0.00 H ATOM 94 N MET A 16 -3.142 -0.130 6.058 1.00 14.58 N ATOM 95 CA MET A 16 -4.042 -1.195 6.426 1.00 16.38 C ATOM 96 C MET A 16 -3.544 -2.535 5.879 1.00 15.55 C ATOM 97 O MET A 16 -3.563 -3.557 6.616 1.00 16.88 O ATOM 98 CB MET A 16 -5.466 -0.979 5.908 1.00 17.58 C ATOM 99 CG MET A 16 -6.065 0.342 6.316 1.00 22.55 C ATOM 100 SD MET A 16 -6.299 0.583 8.082 1.00 32.87 S ATOM 101 CE MET A 16 -7.910 -0.166 8.335 1.00 31.59 C ATOM 102 H MET A 16 -3.480 0.631 5.435 1.00 0.00 H ATOM 103 N LYS A 17 -3.073 -2.544 4.648 1.00 15.99 N ATOM 104 CA LYS A 17 -2.582 -3.805 4.030 1.00 18.59 C ATOM 105 C LYS A 17 -1.351 -4.301 4.785 1.00 19.04 C ATOM 106 O LYS A 17 -1.231 -5.530 5.021 1.00 19.64 O ATOM 107 CB LYS A 17 -2.367 -3.606 2.530 1.00 22.43 C ATOM 108 CG LYS A 17 -3.664 -3.540 1.747 1.00 31.28 C ATOM 109 CD LYS A 17 -3.447 -3.541 0.247 1.00 39.62 C ATOM 110 CE LYS A 17 -4.526 -4.310 -0.487 1.00 44.13 C ATOM 111 NZ LYS A 17 -5.854 -3.676 -0.315 1.00 50.81 N ATOM 112 HZ1 LYS A 17 -6.096 -3.650 0.696 1.00 0.00 H ATOM 113 HZ2 LYS A 17 -5.825 -2.707 -0.691 1.00 0.00 H ATOM 114 HZ3 LYS A 17 -6.569 -4.228 -0.830 1.00 0.00 H ATOM 115 H LYS A 17 -3.044 -1.659 4.102 1.00 0.00 H ATOM 116 N TYR A 18 -0.468 -3.396 5.191 1.00 15.81 N ATOM 117 CA TYR A 18 0.782 -3.722 5.831 1.00 15.56 C ATOM 118 C TYR A 18 0.470 -4.344 7.183 1.00 16.14 C ATOM 119 O TYR A 18 0.922 -5.424 7.542 1.00 16.34 O ATOM 120 CB TYR A 18 1.658 -2.483 6.008 1.00 16.70 C ATOM 121 CG TYR A 18 2.958 -2.748 6.696 1.00 19.23 C ATOM 122 CD1 TYR A 18 2.986 -2.709 8.076 1.00 18.56 C ATOM 123 CD2 TYR A 18 4.103 -2.993 5.982 1.00 20.15 C ATOM 124 CE1 TYR A 18 4.147 -3.011 8.746 1.00 20.40 C ATOM 125 CE2 TYR A 18 5.284 -3.271 6.649 1.00 22.06 C ATOM 126 CZ TYR A 18 5.270 -3.290 8.032 1.00 21.02 C ATOM 127 OH TYR A 18 6.394 -3.575 8.757 1.00 29.47 O ATOM 128 HH TYR A 18 6.715 -4.482 8.523 1.00 0.00 H ATOM 129 H TYR A 18 -0.692 -2.392 5.038 1.00 0.00 H ATOM 130 N ILE A 19 -0.407 -3.719 7.958 1.00 14.00 N ATOM 131 CA ILE A 19 -0.733 -4.258 9.263 1.00 14.81 C ATOM 132 C ILE A 19 -1.514 -5.574 9.128 1.00 16.06 C ATOM 133 O ILE A 19 -1.284 -6.507 9.891 1.00 15.26 O ATOM 134 CB ILE A 19 -1.505 -3.183 10.049 1.00 14.72 C ATOM 135 CG1 ILE A 19 -0.624 -1.959 10.319 1.00 14.82 C ATOM 136 CG2 ILE A 19 -2.156 -3.754 11.299 1.00 14.82 C ATOM 137 CD1 ILE A 19 0.537 -2.179 11.235 1.00 15.74 C ATOM 138 H ILE A 19 -0.860 -2.843 7.629 1.00 0.00 H ATOM 139 N HIS A 20 -2.494 -5.623 8.226 1.00 16.32 N ATOM 140 CA HIS A 20 -3.346 -6.830 8.134 1.00 17.84 C ATOM 141 C HIS A 20 -2.478 -8.061 7.847 1.00 17.88 C ATOM 142 O HIS A 20 -2.676 -9.129 8.476 1.00 18.43 O ATOM 143 CB HIS A 20 -4.449 -6.683 7.086 1.00 19.26 C ATOM 144 CG HIS A 20 -5.524 -7.716 7.238 1.00 21.19 C ATOM 145 ND1 HIS A 20 -5.424 -8.962 6.673 1.00 25.88 N ATOM 146 CD2 HIS A 20 -6.669 -7.730 7.958 1.00 21.52 C ATOM 147 CE1 HIS A 20 -6.472 -9.672 7.008 1.00 22.42 C ATOM 148 NE2 HIS A 20 -7.260 -8.951 7.794 1.00 24.98 N ATOM 149 H HIS A 20 -2.659 -4.817 7.590 1.00 0.00 H ATOM 150 N TYR A 21 -1.497 -7.886 6.987 1.00 16.64 N ATOM 151 CA TYR A 21 -0.660 -9.041 6.592 1.00 19.85 C ATOM 152 C TYR A 21 0.178 -9.478 7.784 1.00 18.12 C ATOM 153 O TYR A 21 0.256 -10.678 8.086 1.00 19.59 O ATOM 154 CB TYR A 21 0.273 -8.643 5.449 1.00 21.48 C ATOM 155 CG TYR A 21 1.032 -9.800 4.855 1.00 27.55 C ATOM 156 CD1 TYR A 21 2.246 -10.150 5.392 1.00 25.69 C ATOM 157 CD2 TYR A 21 0.545 -10.515 3.776 1.00 33.58 C ATOM 158 CE1 TYR A 21 2.976 -11.210 4.896 1.00 32.84 C ATOM 159 CE2 TYR A 21 1.277 -11.570 3.244 1.00 34.47 C ATOM 160 CZ TYR A 21 2.494 -11.909 3.810 1.00 35.58 C ATOM 161 OH TYR A 21 3.256 -12.949 3.343 1.00 41.05 O ATOM 162 HH TYR A 21 4.082 -13.021 3.884 1.00 0.00 H ATOM 163 H TYR A 21 -1.312 -6.944 6.588 1.00 0.00 H ATOM 164 N LYS A 22 0.808 -8.537 8.483 1.00 15.87 N ATOM 165 CA LYS A 22 1.669 -8.859 9.593 1.00 18.46 C ATOM 166 C LYS A 22 0.921 -9.615 10.683 1.00 19.18 C ATOM 167 O LYS A 22 1.380 -10.641 11.228 1.00 19.52 O ATOM 168 CB LYS A 22 2.232 -7.585 10.171 1.00 19.62 C ATOM 169 CG LYS A 22 3.158 -7.813 11.340 1.00 25.55 C ATOM 170 CD LYS A 22 4.106 -6.682 11.576 1.00 28.91 C ATOM 171 CE LYS A 22 5.310 -7.132 12.376 1.00 31.16 C ATOM 172 NZ LYS A 22 6.514 -7.269 11.521 1.00 33.92 N ATOM 173 HZ1 LYS A 22 6.331 -7.973 10.778 1.00 0.00 H ATOM 174 HZ2 LYS A 22 6.734 -6.351 11.084 1.00 0.00 H ATOM 175 HZ3 LYS A 22 7.318 -7.579 12.104 1.00 0.00 H ATOM 176 H LYS A 22 0.675 -7.540 8.220 1.00 0.00 H ATOM 177 N LEU A 23 -0.286 -9.168 10.996 1.00 16.15 N ATOM 178 CA LEU A 23 -1.091 -9.798 11.994 1.00 15.87 C ATOM 179 C LEU A 23 -1.602 -11.168 11.530 1.00 18.09 C ATOM 180 O LEU A 23 -1.623 -12.129 12.350 1.00 18.17 O ATOM 181 CB LEU A 23 -2.264 -8.878 12.320 1.00 16.42 C ATOM 182 CG LEU A 23 -1.877 -7.622 13.067 1.00 15.88 C ATOM 183 CD1 LEU A 23 -3.103 -6.756 13.316 1.00 17.47 C ATOM 184 CD2 LEU A 23 -1.237 -7.971 14.388 1.00 17.94 C ATOM 185 H LEU A 23 -0.659 -8.333 10.500 1.00 0.00 H ATOM 186 N SER A 24 -2.049 -11.293 10.295 1.00 18.33 N ATOM 187 CA SER A 24 -2.569 -12.577 9.807 1.00 19.83 C ATOM 188 C SER A 24 -1.468 -13.643 9.901 1.00 21.50 C ATOM 189 O SER A 24 -1.712 -14.765 10.386 1.00 23.83 O ATOM 190 CB SER A 24 -3.171 -12.458 8.432 1.00 21.27 C ATOM 191 OG SER A 24 -2.188 -12.220 7.434 1.00 22.35 O ATOM 192 HG SER A 24 -1.712 -11.376 7.636 1.00 0.00 H ATOM 193 H SER A 24 -2.033 -10.471 9.658 1.00 0.00 H ATOM 194 N GLN A 25 -0.243 -13.300 9.510 1.00 20.90 N ATOM 195 CA GLN A 25 0.971 -14.173 9.618 1.00 22.12 C ATOM 196 C GLN A 25 1.058 -14.746 11.029 1.00 22.88 C ATOM 197 O GLN A 25 1.562 -15.845 11.287 1.00 24.04 O ATOM 198 CB GLN A 25 2.293 -13.395 9.481 1.00 23.70 C ATOM 199 CG GLN A 25 2.924 -13.300 8.094 1.00 27.68 C ATOM 200 CD GLN A 25 4.440 -13.224 8.161 1.00 27.60 C ATOM 201 OE1 GLN A 25 5.029 -12.455 8.925 1.00 28.11 O ATOM 202 NE2 GLN A 25 5.103 -14.051 7.370 1.00 29.07 N ATOM 203 HE22 GLN A 25 4.585 -14.690 6.734 1.00 0.00 H ATOM 204 HE21 GLN A 25 6.143 -14.062 7.384 1.00 0.00 H ATOM 205 H GLN A 25 -0.118 -12.353 9.098 1.00 0.00 H ATOM 206 N ARG A 26 0.719 -13.934 12.024 1.00 20.45 N ATOM 207 CA ARG A 26 0.962 -14.286 13.408 1.00 20.18 C ATOM 208 C ARG A 26 -0.292 -14.854 14.082 1.00 20.55 C ATOM 209 O ARG A 26 -0.323 -14.981 15.290 1.00 22.65 O ATOM 210 CB ARG A 26 1.534 -13.073 14.140 1.00 20.60 C ATOM 211 CG ARG A 26 2.948 -12.769 13.675 1.00 19.60 C ATOM 212 CD ARG A 26 3.395 -11.336 13.767 1.00 21.38 C ATOM 213 NE ARG A 26 4.738 -11.198 13.228 1.00 21.16 N ATOM 214 CZ ARG A 26 5.039 -11.160 11.927 1.00 20.10 C ATOM 215 NH1 ARG A 26 4.107 -11.268 10.997 1.00 14.87 N ATOM 216 NH2 ARG A 26 6.308 -11.046 11.563 1.00 23.51 N ATOM 217 HE ARG A 26 5.523 -11.123 13.906 1.00 0.00 H ATOM 218 HH12 ARG A 26 4.370 -11.235 9.991 1.00 0.00 H ATOM 219 HH11 ARG A 26 3.111 -11.386 11.271 1.00 0.00 H ATOM 220 HH22 ARG A 26 6.559 -11.015 10.554 1.00 0.00 H ATOM 221 HH21 ARG A 26 7.053 -10.988 12.286 1.00 0.00 H ATOM 222 H ARG A 26 0.268 -13.023 11.804 1.00 0.00 H ATOM 223 N GLY A 27 -1.291 -15.188 13.291 1.00 22.63 N ATOM 224 CA GLY A 27 -2.493 -15.890 13.830 1.00 23.42 C ATOM 225 C GLY A 27 -3.594 -14.998 14.400 1.00 26.09 C ATOM 226 O GLY A 27 -4.450 -15.498 15.251 1.00 26.27 O ATOM 227 H GLY A 27 -1.242 -14.960 12.278 1.00 0.00 H ATOM 228 N TYR A 28 -3.643 -13.731 13.943 1.00 22.81 N ATOM 229 CA TYR A 28 -4.757 -12.822 14.277 1.00 22.39 C ATOM 230 C TYR A 28 -5.370 -12.276 12.997 1.00 20.54 C ATOM 231 O TYR A 28 -4.697 -11.542 12.252 1.00 19.77 O ATOM 232 CB TYR A 28 -4.320 -11.674 15.196 1.00 21.17 C ATOM 233 CG TYR A 28 -5.454 -10.735 15.557 1.00 21.74 C ATOM 234 CD1 TYR A 28 -6.519 -11.125 16.358 1.00 25.11 C ATOM 235 CD2 TYR A 28 -5.511 -9.457 15.050 1.00 19.68 C ATOM 236 CE1 TYR A 28 -7.535 -10.245 16.697 1.00 26.01 C ATOM 237 CE2 TYR A 28 -6.501 -8.556 15.426 1.00 21.86 C ATOM 238 CZ TYR A 28 -7.548 -8.959 16.214 1.00 25.69 C ATOM 239 OH TYR A 28 -8.571 -8.069 16.476 1.00 26.68 O ATOM 240 HH TYR A 28 -8.205 -7.273 16.937 1.00 0.00 H ATOM 241 H TYR A 28 -2.873 -13.383 13.337 1.00 0.00 H ATOM 242 N GLU A 29 -6.666 -12.565 12.775 1.00 22.62 N ATOM 243 CA GLU A 29 -7.412 -12.002 11.674 1.00 21.11 C ATOM 244 C GLU A 29 -8.006 -10.675 12.146 1.00 20.80 C ATOM 245 O GLU A 29 -8.861 -10.628 13.022 1.00 22.85 O ATOM 246 CB GLU A 29 -8.494 -12.969 11.149 1.00 24.06 C ATOM 247 CG GLU A 29 -7.959 -14.080 10.256 1.00 30.05 C ATOM 248 CD GLU A 29 -7.096 -13.611 9.094 1.00 36.13 C ATOM 249 OE1 GLU A 29 -7.584 -12.787 8.310 1.00 37.14 O ATOM 250 OE2 GLU A 29 -5.907 -14.006 9.039 1.00 40.57 O ATOM 251 H GLU A 29 -7.149 -13.220 13.422 1.00 0.00 H ATOM 252 N TRP A 30 -7.488 -9.592 11.577 1.00 20.47 N ATOM 253 CA TRP A 30 -7.944 -8.257 11.938 1.00 19.58 C ATOM 254 C TRP A 30 -9.082 -7.885 10.994 1.00 19.76 C ATOM 255 O TRP A 30 -8.905 -7.247 9.991 1.00 21.40 O ATOM 256 CB TRP A 30 -6.759 -7.294 11.888 1.00 17.37 C ATOM 257 CG TRP A 30 -7.130 -5.868 12.114 1.00 15.39 C ATOM 258 CD1 TRP A 30 -7.936 -5.359 13.083 1.00 20.26 C ATOM 259 CD2 TRP A 30 -6.593 -4.757 11.383 1.00 16.27 C ATOM 260 NE1 TRP A 30 -7.952 -3.998 12.984 1.00 20.68 N ATOM 261 CE2 TRP A 30 -7.177 -3.602 11.928 1.00 16.34 C ATOM 262 CE3 TRP A 30 -5.722 -4.634 10.303 1.00 17.18 C ATOM 263 CZ2 TRP A 30 -6.857 -2.343 11.420 1.00 18.16 C ATOM 264 CZ3 TRP A 30 -5.434 -3.393 9.788 1.00 17.85 C ATOM 265 CH2 TRP A 30 -5.967 -2.255 10.379 1.00 16.86 C ATOM 266 HE1 TRP A 30 -8.474 -3.358 13.616 1.00 0.00 H ATOM 267 H TRP A 30 -6.742 -9.700 10.860 1.00 0.00 H ATOM 268 N ASP A 31 -10.274 -8.306 11.435 1.00 25.72 N ATOM 269 CA ASP A 31 -11.423 -8.173 10.591 1.00 27.86 C ATOM 270 C ASP A 31 -11.769 -6.702 10.439 1.00 26.95 C ATOM 271 O ASP A 31 -12.176 -6.348 9.363 1.00 27.45 O ATOM 272 CB ASP A 31 -12.615 -8.945 11.128 1.00 31.39 C ATOM 273 CG ASP A 31 -12.411 -10.446 11.094 1.00 37.07 C ATOM 274 OD1 ASP A 31 -11.822 -10.952 10.099 1.00 39.29 O ATOM 275 OD2 ASP A 31 -12.827 -11.076 12.071 1.00 36.42 O ATOM 276 H ASP A 31 -10.365 -8.726 12.382 1.00 0.00 H ATOM 277 N ALA A 32 -11.513 -5.876 11.466 1.00 26.33 N ATOM 278 CA ALA A 32 -11.911 -4.458 11.331 1.00 27.00 C ATOM 279 C ALA A 32 -11.105 -3.826 10.207 1.00 28.43 C ATOM 280 O ALA A 32 -11.516 -2.813 9.662 1.00 31.62 O ATOM 281 CB ALA A 32 -11.759 -3.685 12.616 1.00 27.99 C ATOM 282 H ALA A 32 -11.049 -6.223 12.330 1.00 0.00 H ATOM 283 N GLY A 33 -9.936 -4.409 9.885 1.00 29.88 N ATOM 284 CA GLY A 33 -9.019 -3.827 8.943 1.00 26.17 C ATOM 285 C GLY A 33 -8.875 -4.605 7.658 1.00 32.54 C ATOM 286 O GLY A 33 -8.007 -4.294 6.850 1.00 32.06 O ATOM 287 H GLY A 33 -9.687 -5.313 10.334 1.00 0.00 H ATOM 288 N ALA A 34 -9.751 -5.599 7.455 1.00 29.61 N ATOM 289 CA ALA A 34 -9.706 -6.445 6.261 1.00 33.53 C ATOM 290 C ALA A 34 -10.111 -5.621 5.028 1.00 40.82 C ATOM 291 O ALA A 34 -10.929 -4.724 5.138 1.00 37.36 O ATOM 292 CB ALA A 34 -10.625 -7.610 6.453 1.00 32.57 C ATOM 293 H ALA A 34 -10.487 -5.775 8.169 1.00 0.00 H ATOM 294 N ASP A 35 -9.512 -5.946 3.876 1.00 45.00 N ATOM 295 CA ASP A 35 -9.725 -5.285 2.586 1.00 55.05 C ATOM 296 C ASP A 35 -11.139 -4.690 2.494 1.00 58.51 C ATOM 297 O ASP A 35 -12.087 -5.372 2.105 1.00 59.76 O ATOM 298 CB ASP A 35 -9.464 -6.270 1.440 1.00 61.26 C ATOM 299 CG ASP A 35 -8.281 -5.884 0.575 1.00 63.34 C ATOM 300 OD1 ASP A 35 -8.432 -4.905 -0.178 1.00 67.14 O ATOM 301 OD2 ASP A 35 -7.213 -6.547 0.679 1.00 64.33 O ATOM 302 H ASP A 35 -8.837 -6.737 3.899 1.00 0.00 H TER 303 ASP A 35 ATOM 304 N GLU A 48 0.921 -1.400 -10.104 1.00 52.87 N ATOM 305 CA GLU A 48 1.932 -0.554 -9.455 1.00 46.63 C ATOM 306 C GLU A 48 1.750 -0.642 -7.925 1.00 43.07 C ATOM 307 O GLU A 48 2.729 -0.874 -7.183 1.00 32.16 O ATOM 308 CB GLU A 48 1.882 0.881 -10.005 1.00 48.37 C ATOM 309 CG GLU A 48 0.686 1.206 -10.900 1.00 53.77 C ATOM 310 CD GLU A 48 -0.152 2.397 -10.444 1.00 57.62 C ATOM 311 OE1 GLU A 48 0.198 3.538 -10.809 1.00 62.22 O ATOM 312 OE2 GLU A 48 -1.144 2.187 -9.697 1.00 53.63 O ATOM 313 HN3 GLU A 48 -0.029 -1.066 -9.843 1.00 0.00 H ATOM 314 HN2 GLU A 48 1.042 -2.384 -9.791 1.00 0.00 H ATOM 315 HN1 GLU A 48 1.037 -1.346 -11.136 1.00 0.00 H ATOM 316 N SER A 49 0.505 -0.487 -7.463 1.00 38.65 N ATOM 317 CA SER A 49 0.099 -0.698 -6.051 1.00 40.10 C ATOM 318 C SER A 49 0.662 -2.007 -5.488 1.00 35.93 C ATOM 319 O SER A 49 1.216 -2.057 -4.389 1.00 30.00 O ATOM 320 CB SER A 49 -1.400 -0.678 -5.917 1.00 41.94 C ATOM 321 OG SER A 49 -1.877 0.605 -6.261 1.00 49.06 O ATOM 322 HG SER A 49 -1.623 0.811 -7.195 1.00 0.00 H ATOM 323 H SER A 49 -0.230 -0.199 -8.140 1.00 0.00 H ATOM 324 N GLU A 50 0.486 -3.104 -6.221 1.00 31.73 N ATOM 325 CA GLU A 50 0.874 -4.403 -5.698 1.00 30.97 C ATOM 326 C GLU A 50 2.374 -4.434 -5.369 1.00 27.38 C ATOM 327 O GLU A 50 2.771 -4.936 -4.345 1.00 26.58 O ATOM 328 CB GLU A 50 0.544 -5.511 -6.698 1.00 32.49 C ATOM 329 H GLU A 50 0.069 -3.031 -7.171 1.00 0.00 H ATOM 330 N VAL A 92 3.194 -3.890 -6.252 1.00 27.01 N ATOM 331 CA VAL A 92 4.643 -3.895 -6.070 1.00 26.98 C ATOM 332 C VAL A 92 5.016 -2.997 -4.869 1.00 25.90 C ATOM 333 O VAL A 92 5.892 -3.333 -4.110 1.00 23.82 O ATOM 334 CB VAL A 92 5.349 -3.424 -7.357 1.00 28.50 C ATOM 335 CG1 VAL A 92 6.849 -3.482 -7.224 1.00 29.29 C ATOM 336 CG2 VAL A 92 4.890 -4.235 -8.570 1.00 32.49 C ATOM 337 H VAL A 92 2.795 -3.445 -7.103 1.00 0.00 H ATOM 338 N VAL A 93 4.341 -1.863 -4.726 1.00 24.08 N ATOM 339 CA VAL A 93 4.540 -1.007 -3.548 1.00 22.00 C ATOM 340 C VAL A 93 4.278 -1.815 -2.278 1.00 23.52 C ATOM 341 O VAL A 93 5.150 -1.802 -1.407 1.00 20.55 O ATOM 342 CB VAL A 93 3.704 0.280 -3.582 1.00 24.28 C ATOM 343 CG1 VAL A 93 3.865 0.989 -2.251 1.00 21.20 C ATOM 344 CG2 VAL A 93 4.078 1.192 -4.726 1.00 24.61 C ATOM 345 H VAL A 93 3.661 -1.576 -5.459 1.00 0.00 H ATOM 346 N HIS A 94 3.120 -2.496 -2.151 1.00 21.48 N ATOM 347 CA HIS A 94 2.800 -3.240 -0.950 1.00 23.00 C ATOM 348 C HIS A 94 3.874 -4.304 -0.680 1.00 21.06 C ATOM 349 O HIS A 94 4.363 -4.457 0.407 1.00 22.68 O ATOM 350 CB HIS A 94 1.397 -3.868 -1.043 1.00 21.09 C ATOM 351 CG HIS A 94 0.278 -2.892 -1.176 1.00 25.39 C ATOM 352 ND1 HIS A 94 0.083 -1.856 -0.287 1.00 26.00 N ATOM 353 CD2 HIS A 94 -0.780 -2.865 -2.034 1.00 27.30 C ATOM 354 CE1 HIS A 94 -0.989 -1.159 -0.659 1.00 29.45 C ATOM 355 NE2 HIS A 94 -1.521 -1.747 -1.743 1.00 30.47 N ATOM 356 H HIS A 94 2.439 -2.486 -2.937 1.00 0.00 H ATOM 357 N LYS A 95 4.262 -5.039 -1.728 1.00 22.08 N ATOM 358 CA LYS A 95 5.201 -6.143 -1.522 1.00 23.35 C ATOM 359 C LYS A 95 6.610 -5.640 -1.171 1.00 19.80 C ATOM 360 O LYS A 95 7.285 -6.148 -0.254 1.00 21.78 O ATOM 361 CB LYS A 95 5.296 -6.914 -2.839 1.00 29.07 C ATOM 362 CG LYS A 95 6.220 -8.112 -2.808 1.00 33.86 C ATOM 363 CD LYS A 95 5.926 -9.060 -3.982 1.00 38.07 C ATOM 364 CE LYS A 95 6.437 -10.472 -3.785 1.00 44.49 C ATOM 365 NZ LYS A 95 6.690 -11.138 -5.083 1.00 48.49 N ATOM 366 HZ1 LYS A 95 5.806 -11.178 -5.629 1.00 0.00 H ATOM 367 HZ2 LYS A 95 7.403 -10.599 -5.615 1.00 0.00 H ATOM 368 HZ3 LYS A 95 7.039 -12.103 -4.914 1.00 0.00 H ATOM 369 H LYS A 95 3.900 -4.828 -2.680 1.00 0.00 H ATOM 370 N THR A 96 7.012 -4.547 -1.815 1.00 19.92 N ATOM 371 CA THR A 96 8.350 -4.025 -1.570 1.00 21.12 C ATOM 372 C THR A 96 8.478 -3.453 -0.147 1.00 18.82 C ATOM 373 O THR A 96 9.467 -3.584 0.529 1.00 19.54 O ATOM 374 CB THR A 96 8.751 -2.944 -2.566 1.00 21.95 C ATOM 375 OG1 THR A 96 8.567 -3.457 -3.900 1.00 24.94 O ATOM 376 CG2 THR A 96 10.185 -2.505 -2.355 1.00 24.25 C ATOM 377 HG1 THR A 96 7.616 -3.700 -4.030 1.00 0.00 H ATOM 378 H THR A 96 6.377 -4.070 -2.487 1.00 0.00 H ATOM 379 N LEU A 97 7.405 -2.818 0.329 1.00 19.60 N ATOM 380 CA LEU A 97 7.398 -2.276 1.663 1.00 18.60 C ATOM 381 C LEU A 97 7.439 -3.380 2.715 1.00 19.59 C ATOM 382 O LEU A 97 8.146 -3.290 3.681 1.00 19.49 O ATOM 383 CB LEU A 97 6.174 -1.378 1.842 1.00 17.99 C ATOM 384 CG LEU A 97 6.028 -0.739 3.216 1.00 18.28 C ATOM 385 CD1 LEU A 97 7.233 0.127 3.570 1.00 18.06 C ATOM 386 CD2 LEU A 97 4.748 0.086 3.254 1.00 18.36 C ATOM 387 H LEU A 97 6.563 -2.713 -0.272 1.00 0.00 H ATOM 388 N ARG A 98 6.674 -4.451 2.498 1.00 19.73 N ATOM 389 CA ARG A 98 6.688 -5.578 3.396 1.00 23.44 C ATOM 390 C ARG A 98 8.092 -6.195 3.512 1.00 21.88 C ATOM 391 O ARG A 98 8.613 -6.439 4.588 1.00 23.59 O ATOM 392 CB ARG A 98 5.717 -6.651 2.902 1.00 28.63 C ATOM 393 CG ARG A 98 5.791 -7.908 3.746 1.00 30.83 C ATOM 394 CD ARG A 98 4.632 -8.849 3.549 1.00 36.43 C ATOM 395 NE ARG A 98 4.624 -9.420 2.219 1.00 36.85 N ATOM 396 CZ ARG A 98 3.810 -9.048 1.242 1.00 42.99 C ATOM 397 NH1 ARG A 98 2.908 -8.105 1.454 1.00 44.22 N ATOM 398 NH2 ARG A 98 3.904 -9.620 0.058 1.00 47.56 N ATOM 399 HE ARG A 98 5.307 -10.177 2.015 1.00 0.00 H ATOM 400 HH12 ARG A 98 2.270 -7.814 0.686 1.00 0.00 H ATOM 401 HH11 ARG A 98 2.837 -7.654 2.389 1.00 0.00 H ATOM 402 HH22 ARG A 98 3.267 -9.331 -0.711 1.00 0.00 H ATOM 403 HH21 ARG A 98 4.615 -10.361 -0.107 1.00 0.00 H ATOM 404 H ARG A 98 6.054 -4.473 1.663 1.00 0.00 H ATOM 405 N GLU A 99 8.691 -6.432 2.344 1.00 21.68 N ATOM 406 CA GLU A 99 10.023 -7.020 2.276 1.00 23.20 C ATOM 407 C GLU A 99 11.053 -6.102 2.916 1.00 23.30 C ATOM 408 O GLU A 99 11.894 -6.583 3.613 1.00 22.46 O ATOM 409 CB GLU A 99 10.389 -7.336 0.837 1.00 27.87 C ATOM 410 CG GLU A 99 9.508 -8.452 0.305 1.00 33.21 C ATOM 411 CD GLU A 99 9.715 -8.812 -1.147 1.00 42.50 C ATOM 412 OE1 GLU A 99 10.783 -8.479 -1.683 1.00 48.80 O ATOM 413 OE2 GLU A 99 8.802 -9.447 -1.728 1.00 48.39 O ATOM 414 H GLU A 99 8.196 -6.192 1.461 1.00 0.00 H ATOM 415 N ALA A 100 10.920 -4.769 2.733 1.00 18.86 N ATOM 416 CA ALA A 100 11.854 -3.835 3.325 1.00 18.58 C ATOM 417 C ALA A 100 11.749 -3.878 4.853 1.00 19.70 C ATOM 418 O ALA A 100 12.729 -3.773 5.583 1.00 17.52 O ATOM 419 CB ALA A 100 11.664 -2.420 2.805 1.00 19.56 C ATOM 420 H ALA A 100 10.133 -4.408 2.157 1.00 0.00 H ATOM 421 N GLY A 101 10.501 -3.946 5.346 1.00 18.76 N ATOM 422 CA GLY A 101 10.310 -4.062 6.742 1.00 19.62 C ATOM 423 C GLY A 101 10.845 -5.364 7.316 1.00 20.77 C ATOM 424 O GLY A 101 11.418 -5.352 8.391 1.00 20.50 O ATOM 425 H GLY A 101 9.682 -3.914 4.706 1.00 0.00 H ATOM 426 N ASP A 102 10.635 -6.443 6.568 1.00 21.99 N ATOM 427 CA ASP A 102 11.161 -7.761 7.018 1.00 24.07 C ATOM 428 C ASP A 102 12.696 -7.715 7.046 1.00 23.91 C ATOM 429 O ASP A 102 13.327 -8.207 7.970 1.00 25.53 O ATOM 430 CB ASP A 102 10.671 -8.903 6.135 1.00 26.03 C ATOM 431 CG ASP A 102 9.199 -9.242 6.263 1.00 28.52 C ATOM 432 OD1 ASP A 102 8.588 -8.937 7.316 1.00 35.18 O ATOM 433 OD2 ASP A 102 8.652 -9.790 5.256 1.00 36.93 O ATOM 434 H ASP A 102 10.107 -6.367 5.675 1.00 0.00 H ATOM 435 N ASP A 103 13.295 -7.054 6.061 1.00 23.53 N ATOM 436 CA ASP A 103 14.766 -6.908 6.018 1.00 24.87 C ATOM 437 C ASP A 103 15.275 -6.096 7.216 1.00 22.40 C ATOM 438 O ASP A 103 16.277 -6.372 7.811 1.00 22.51 O ATOM 439 CB ASP A 103 15.205 -6.281 4.697 1.00 27.42 C ATOM 440 CG ASP A 103 15.057 -7.215 3.506 1.00 37.40 C ATOM 441 OD1 ASP A 103 14.897 -8.431 3.743 1.00 44.30 O ATOM 442 OD2 ASP A 103 15.078 -6.713 2.356 1.00 41.74 O ATOM 443 H ASP A 103 12.718 -6.631 5.306 1.00 0.00 H ATOM 444 N PHE A 104 14.544 -5.039 7.586 1.00 21.25 N ATOM 445 CA PHE A 104 14.884 -4.205 8.693 1.00 20.48 C ATOM 446 C PHE A 104 14.769 -4.992 10.020 1.00 19.65 C ATOM 447 O PHE A 104 15.638 -4.880 10.856 1.00 21.44 O ATOM 448 CB PHE A 104 13.977 -2.972 8.672 1.00 19.51 C ATOM 449 CG PHE A 104 14.308 -1.931 9.711 1.00 20.34 C ATOM 450 CD1 PHE A 104 15.420 -1.123 9.574 1.00 23.73 C ATOM 451 CD2 PHE A 104 13.548 -1.782 10.858 1.00 18.00 C ATOM 452 CE1 PHE A 104 15.715 -0.141 10.509 1.00 24.46 C ATOM 453 CE2 PHE A 104 13.871 -0.839 11.821 1.00 19.11 C ATOM 454 CZ PHE A 104 14.921 0.002 11.635 1.00 20.94 C ATOM 455 H PHE A 104 13.687 -4.814 7.041 1.00 0.00 H ATOM 456 N SER A 105 13.701 -5.770 10.159 1.00 20.97 N ATOM 457 CA SER A 105 13.468 -6.688 11.290 1.00 23.94 C ATOM 458 C SER A 105 14.645 -7.678 11.394 1.00 26.21 C ATOM 459 O SER A 105 15.167 -7.855 12.484 1.00 25.58 O ATOM 460 CB SER A 105 12.113 -7.365 11.126 1.00 27.61 C ATOM 461 OG SER A 105 11.787 -8.268 12.199 1.00 34.32 O ATOM 462 HG SER A 105 11.768 -7.769 13.054 1.00 0.00 H ATOM 463 H SER A 105 12.975 -5.729 9.415 1.00 0.00 H ATOM 464 N ARG A 106 15.087 -8.222 10.257 1.00 23.74 N ATOM 465 CA ARG A 106 16.226 -9.188 10.266 1.00 26.06 C ATOM 466 C ARG A 106 17.523 -8.479 10.662 1.00 26.51 C ATOM 467 O ARG A 106 18.328 -8.978 11.476 1.00 28.39 O ATOM 468 CB ARG A 106 16.393 -9.821 8.889 1.00 28.82 C ATOM 469 CG ARG A 106 17.492 -10.878 8.843 1.00 36.59 C ATOM 470 CD ARG A 106 18.533 -10.611 7.767 1.00 45.72 C ATOM 471 NE ARG A 106 17.958 -10.488 6.423 1.00 48.87 N ATOM 472 CZ ARG A 106 17.790 -9.339 5.761 1.00 51.58 C ATOM 473 NH1 ARG A 106 18.165 -8.185 6.296 1.00 51.52 N ATOM 474 NH2 ARG A 106 17.236 -9.351 4.561 1.00 56.39 N ATOM 475 HE ARG A 106 17.658 -11.363 5.948 1.00 0.00 H ATOM 476 HH12 ARG A 106 18.028 -7.299 5.769 1.00 0.00 H ATOM 477 HH11 ARG A 106 18.596 -8.166 7.242 1.00 0.00 H ATOM 478 HH22 ARG A 106 17.103 -8.460 4.041 1.00 0.00 H ATOM 479 HH21 ARG A 106 16.934 -10.251 4.137 1.00 0.00 H ATOM 480 H ARG A 106 14.633 -7.970 9.356 1.00 0.00 H ATOM 481 N ARG A 107 17.743 -7.309 10.061 1.00 24.03 N ATOM 482 CA ARG A 107 18.919 -6.547 10.261 1.00 25.12 C ATOM 483 C ARG A 107 19.105 -6.225 11.742 1.00 26.65 C ATOM 484 O ARG A 107 20.246 -6.183 12.221 1.00 26.37 O ATOM 485 CB ARG A 107 18.821 -5.267 9.430 1.00 28.02 C ATOM 486 CG ARG A 107 19.962 -4.276 9.593 1.00 27.07 C ATOM 487 CD ARG A 107 19.933 -3.145 8.554 1.00 29.79 C ATOM 488 NE ARG A 107 20.052 -3.571 7.170 1.00 31.74 N ATOM 489 CZ ARG A 107 21.216 -3.789 6.524 1.00 38.54 C ATOM 490 NH1 ARG A 107 22.374 -3.530 7.117 1.00 37.49 N ATOM 491 NH2 ARG A 107 21.222 -4.247 5.283 1.00 38.43 N ATOM 492 HE ARG A 107 19.172 -3.719 6.636 1.00 0.00 H ATOM 493 HH12 ARG A 107 23.267 -3.701 6.612 1.00 0.00 H ATOM 494 HH11 ARG A 107 22.389 -3.156 8.087 1.00 0.00 H ATOM 495 HH22 ARG A 107 22.125 -4.412 4.794 1.00 0.00 H ATOM 496 HH21 ARG A 107 20.324 -4.442 4.796 1.00 0.00 H ATOM 497 H ARG A 107 17.017 -6.939 9.415 1.00 0.00 H ATOM 498 N TYR A 108 17.992 -5.953 12.448 1.00 23.29 N ATOM 499 CA TYR A 108 18.012 -5.559 13.877 1.00 23.61 C ATOM 500 C TYR A 108 17.292 -6.621 14.723 1.00 25.72 C ATOM 501 O TYR A 108 16.601 -6.275 15.689 1.00 26.24 O ATOM 502 CB TYR A 108 17.388 -4.170 14.034 1.00 23.32 C ATOM 503 CG TYR A 108 18.278 -3.092 13.451 1.00 23.88 C ATOM 504 CD1 TYR A 108 19.504 -2.792 14.008 1.00 24.84 C ATOM 505 CD2 TYR A 108 17.920 -2.414 12.307 1.00 25.44 C ATOM 506 CE1 TYR A 108 20.352 -1.854 13.446 1.00 28.30 C ATOM 507 CE2 TYR A 108 18.729 -1.451 11.741 1.00 25.51 C ATOM 508 CZ TYR A 108 19.947 -1.172 12.315 1.00 25.14 C ATOM 509 OH TYR A 108 20.717 -0.208 11.742 1.00 31.10 O ATOM 510 HH TYR A 108 20.924 -0.464 10.809 1.00 0.00 H ATOM 511 H TYR A 108 17.072 -6.023 11.967 1.00 0.00 H ATOM 512 N ARG A 109 17.451 -7.900 14.372 1.00 27.35 N ATOM 513 CA ARG A 109 16.640 -8.962 14.944 1.00 32.19 C ATOM 514 C ARG A 109 16.706 -8.933 16.480 1.00 33.33 C ATOM 515 O ARG A 109 15.701 -9.111 17.147 1.00 30.76 O ATOM 516 CB ARG A 109 17.093 -10.320 14.399 1.00 39.16 C ATOM 517 CG ARG A 109 16.148 -11.463 14.751 1.00 46.84 C ATOM 518 CD ARG A 109 15.835 -12.358 13.569 1.00 57.11 C ATOM 519 NE ARG A 109 16.921 -13.284 13.273 1.00 66.82 N ATOM 520 CZ ARG A 109 17.135 -13.847 12.085 1.00 70.69 C ATOM 521 NH1 ARG A 109 16.402 -13.500 11.040 1.00 71.23 N ATOM 522 NH2 ARG A 109 18.085 -14.755 11.945 1.00 74.69 N ATOM 523 HE ARG A 109 17.576 -13.522 14.045 1.00 0.00 H ATOM 524 HH12 ARG A 109 16.573 -13.943 10.115 1.00 0.00 H ATOM 525 HH11 ARG A 109 15.654 -12.784 11.144 1.00 0.00 H ATOM 526 HH22 ARG A 109 18.252 -15.194 11.017 1.00 0.00 H ATOM 527 HH21 ARG A 109 18.666 -15.030 12.763 1.00 0.00 H ATOM 528 H ARG A 109 18.177 -8.143 13.668 1.00 0.00 H ATOM 529 N ARG A 110 17.891 -8.734 17.043 1.00 30.98 N ATOM 530 CA ARG A 110 18.004 -8.890 18.503 1.00 31.87 C ATOM 531 C ARG A 110 17.523 -7.618 19.229 1.00 35.05 C ATOM 532 O ARG A 110 17.065 -7.679 20.366 1.00 31.77 O ATOM 533 CB ARG A 110 19.435 -9.303 18.847 1.00 32.58 C ATOM 534 CG ARG A 110 20.451 -8.225 18.526 1.00 32.16 C ATOM 535 CD ARG A 110 21.748 -8.467 19.270 1.00 34.48 C ATOM 536 NE ARG A 110 22.676 -7.429 18.875 1.00 36.52 N ATOM 537 CZ ARG A 110 24.000 -7.501 18.949 1.00 36.84 C ATOM 538 NH1 ARG A 110 24.597 -8.668 19.170 1.00 38.04 N ATOM 539 NH2 ARG A 110 24.707 -6.390 18.791 1.00 32.94 N ATOM 540 HE ARG A 110 22.270 -6.548 18.500 1.00 0.00 H ATOM 541 HH12 ARG A 110 25.634 -8.719 19.227 1.00 0.00 H ATOM 542 HH11 ARG A 110 24.027 -9.530 19.286 1.00 0.00 H ATOM 543 HH22 ARG A 110 25.745 -6.422 18.845 1.00 0.00 H ATOM 544 HH21 ARG A 110 24.223 -5.487 18.613 1.00 0.00 H ATOM 545 H ARG A 110 18.718 -8.475 16.468 1.00 0.00 H ATOM 546 N ASP A 111 17.608 -6.461 18.565 1.00 29.98 N ATOM 547 CA ASP A 111 17.060 -5.243 19.120 1.00 29.88 C ATOM 548 C ASP A 111 15.527 -5.289 19.096 1.00 27.67 C ATOM 549 O ASP A 111 14.939 -4.836 20.071 1.00 25.34 O ATOM 550 CB ASP A 111 17.652 -4.009 18.448 1.00 33.54 C ATOM 551 CG ASP A 111 19.158 -4.056 18.589 1.00 39.58 C ATOM 552 OD1 ASP A 111 19.616 -4.571 19.643 1.00 42.98 O ATOM 553 OD2 ASP A 111 19.843 -3.700 17.623 1.00 39.69 O ATOM 554 H ASP A 111 18.075 -6.436 17.636 1.00 0.00 H ATOM 555 N PHE A 112 14.949 -5.887 18.051 1.00 26.02 N ATOM 556 CA PHE A 112 13.494 -6.061 17.965 1.00 23.75 C ATOM 557 C PHE A 112 13.011 -6.965 19.103 1.00 29.03 C ATOM 558 O PHE A 112 12.020 -6.673 19.757 1.00 26.70 O ATOM 559 CB PHE A 112 13.063 -6.574 16.599 1.00 23.64 C ATOM 560 CG PHE A 112 12.748 -5.466 15.629 1.00 23.20 C ATOM 561 CD1 PHE A 112 11.588 -4.727 15.774 1.00 22.84 C ATOM 562 CD2 PHE A 112 13.634 -5.114 14.645 1.00 23.50 C ATOM 563 CE1 PHE A 112 11.312 -3.688 14.897 1.00 22.33 C ATOM 564 CE2 PHE A 112 13.353 -4.067 13.781 1.00 23.51 C ATOM 565 CZ PHE A 112 12.189 -3.362 13.911 1.00 21.80 C ATOM 566 H PHE A 112 15.547 -6.239 17.276 1.00 0.00 H ATOM 567 N ALA A 113 13.708 -8.095 19.283 1.00 31.10 N ATOM 568 CA ALA A 113 13.393 -9.097 20.295 1.00 35.39 C ATOM 569 C ALA A 113 13.335 -8.432 21.671 1.00 36.81 C ATOM 570 O ALA A 113 12.458 -8.678 22.504 1.00 39.89 O ATOM 571 CB ALA A 113 14.463 -10.171 20.261 1.00 31.65 C ATOM 572 H ALA A 113 14.524 -8.268 18.663 1.00 0.00 H ATOM 573 N GLU A 114 14.307 -7.561 21.889 1.00 36.43 N ATOM 574 CA GLU A 114 14.507 -6.883 23.129 1.00 41.75 C ATOM 575 C GLU A 114 13.442 -5.801 23.330 1.00 41.06 C ATOM 576 O GLU A 114 13.015 -5.543 24.436 1.00 38.37 O ATOM 577 CB GLU A 114 15.913 -6.290 23.088 1.00 40.59 C ATOM 578 CG GLU A 114 16.229 -5.410 24.269 1.00 42.54 C ATOM 579 CD GLU A 114 16.348 -6.162 25.586 1.00 51.17 C ATOM 580 OE1 GLU A 114 16.454 -7.408 25.550 1.00 50.10 O ATOM 581 OE2 GLU A 114 16.345 -5.495 26.648 1.00 56.95 O ATOM 582 H GLU A 114 14.965 -7.358 21.110 1.00 0.00 H ATOM 583 N MET A 115 13.026 -5.152 22.239 1.00 40.47 N ATOM 584 CA MET A 115 12.134 -3.987 22.342 1.00 40.46 C ATOM 585 C MET A 115 10.833 -4.333 23.068 1.00 46.85 C ATOM 586 O MET A 115 10.269 -3.512 23.788 1.00 49.55 O ATOM 587 CB MET A 115 11.765 -3.462 20.954 1.00 42.70 C ATOM 588 CG MET A 115 10.464 -2.669 20.929 1.00 36.94 C ATOM 589 SD MET A 115 10.229 -1.793 19.343 1.00 42.17 S ATOM 590 CE MET A 115 11.219 -2.841 18.297 1.00 23.66 C ATOM 591 H MET A 115 13.338 -5.476 21.301 1.00 0.00 H ATOM 592 N SER A 116 10.332 -5.535 22.806 1.00 51.84 N ATOM 593 CA SER A 116 9.096 -6.061 23.385 1.00 57.95 C ATOM 594 C SER A 116 8.855 -5.580 24.832 1.00 65.93 C ATOM 595 O SER A 116 7.753 -5.117 25.151 1.00 63.71 O ATOM 596 CB SER A 116 9.157 -7.546 23.279 1.00 58.49 C ATOM 597 OG SER A 116 9.762 -7.889 22.037 1.00 57.54 O ATOM 598 HG SER A 116 10.676 -7.510 22.001 1.00 0.00 H ATOM 599 H SER A 116 10.854 -6.144 22.144 1.00 0.00 H ATOM 600 N SER A 117 9.895 -5.687 25.678 1.00 60.67 N ATOM 601 CA SER A 117 9.900 -5.343 27.117 1.00 59.95 C ATOM 602 C SER A 117 9.937 -3.828 27.370 1.00 60.05 C ATOM 603 O SER A 117 9.473 -3.358 28.398 1.00 58.04 O ATOM 604 CB SER A 117 11.078 -5.998 27.777 1.00 59.55 C ATOM 605 OG SER A 117 11.406 -7.202 27.100 1.00 64.51 O ATOM 606 HG SER A 117 10.631 -7.818 27.130 1.00 0.00 H ATOM 607 H SER A 117 10.786 -6.048 25.281 1.00 0.00 H ATOM 608 N GLN A 118 10.527 -3.070 26.448 1.00 61.54 N ATOM 609 CA GLN A 118 10.727 -1.621 26.618 1.00 57.76 C ATOM 610 C GLN A 118 9.396 -0.846 26.679 1.00 52.15 C ATOM 611 O GLN A 118 9.297 0.124 27.433 1.00 51.80 O ATOM 612 CB GLN A 118 11.627 -1.092 25.498 1.00 57.19 C ATOM 613 CG GLN A 118 13.063 -1.583 25.622 1.00 56.07 C ATOM 614 CD GLN A 118 13.988 -0.820 24.712 1.00 54.31 C ATOM 615 OE1 GLN A 118 14.082 0.407 24.778 1.00 61.40 O ATOM 616 NE2 GLN A 118 14.692 -1.548 23.862 1.00 57.37 N ATOM 617 HE22 GLN A 118 14.578 -2.582 23.844 1.00 0.00 H ATOM 618 HE21 GLN A 118 15.360 -1.087 23.212 1.00 0.00 H ATOM 619 H GLN A 118 10.860 -3.520 25.572 1.00 0.00 H ATOM 620 N LEU A 119 8.360 -1.259 25.930 1.00 46.16 N ATOM 621 CA LEU A 119 7.175 -0.361 25.751 1.00 42.49 C ATOM 622 C LEU A 119 6.103 -0.518 26.852 1.00 38.77 C ATOM 623 O LEU A 119 5.393 0.449 27.133 1.00 46.94 O ATOM 624 CB LEU A 119 6.589 -0.583 24.356 1.00 41.50 C ATOM 625 CG LEU A 119 7.401 0.021 23.203 1.00 40.70 C ATOM 626 CD1 LEU A 119 6.953 -0.561 21.862 1.00 40.70 C ATOM 627 CD2 LEU A 119 7.312 1.547 23.192 1.00 40.96 C ATOM 628 H LEU A 119 8.381 -2.195 25.478 1.00 0.00 H ATOM 629 N HIS A 120 5.971 -1.694 27.483 1.00 41.03 N ATOM 630 CA HIS A 120 4.849 -1.997 28.462 1.00 39.69 C ATOM 631 C HIS A 120 3.540 -1.296 28.071 1.00 32.69 C ATOM 632 O HIS A 120 3.015 -0.507 28.813 1.00 41.09 O ATOM 633 CB HIS A 120 5.162 -1.619 29.929 1.00 47.57 C ATOM 634 CG HIS A 120 6.498 -1.029 30.203 1.00 50.28 C ATOM 635 ND1 HIS A 120 7.646 -1.786 30.160 1.00 55.20 N ATOM 636 CD2 HIS A 120 6.863 0.216 30.583 1.00 53.99 C ATOM 637 CE1 HIS A 120 8.680 -1.020 30.446 1.00 59.62 C ATOM 638 NE2 HIS A 120 8.226 0.217 30.711 1.00 58.35 N ATOM 639 H HIS A 120 6.673 -2.437 27.292 1.00 0.00 H ATOM 640 N LEU A 121 3.021 -1.585 26.882 1.00 31.72 N ATOM 641 CA LEU A 121 1.848 -0.915 26.405 1.00 27.17 C ATOM 642 C LEU A 121 0.644 -1.118 27.340 1.00 24.59 C ATOM 643 O LEU A 121 0.442 -2.198 27.906 1.00 24.59 O ATOM 644 CB LEU A 121 1.489 -1.472 25.014 1.00 30.13 C ATOM 645 CG LEU A 121 2.478 -1.190 23.881 1.00 34.23 C ATOM 646 CD1 LEU A 121 1.973 -1.764 22.564 1.00 35.62 C ATOM 647 CD2 LEU A 121 2.746 0.306 23.740 1.00 35.68 C ATOM 648 H LEU A 121 3.474 -2.309 26.288 1.00 0.00 H ATOM 649 N THR A 122 -0.161 -0.077 27.485 1.00 22.20 N ATOM 650 CA THR A 122 -1.514 -0.150 28.014 1.00 21.04 C ATOM 651 C THR A 122 -2.413 0.681 27.117 1.00 21.68 C ATOM 652 O THR A 122 -1.930 1.553 26.377 1.00 20.13 O ATOM 653 CB THR A 122 -1.638 0.331 29.463 1.00 24.49 C ATOM 654 OG1 THR A 122 -1.561 1.767 29.414 1.00 23.44 O ATOM 655 CG2 THR A 122 -0.598 -0.249 30.389 1.00 27.13 C ATOM 656 HG1 THR A 122 -1.636 2.132 30.331 1.00 0.00 H ATOM 657 H THR A 122 0.199 0.857 27.201 1.00 0.00 H ATOM 658 N PRO A 123 -3.745 0.503 27.103 1.00 19.49 N ATOM 659 CA PRO A 123 -4.622 1.309 26.273 1.00 21.25 C ATOM 660 C PRO A 123 -4.443 2.816 26.514 1.00 20.40 C ATOM 661 O PRO A 123 -4.529 3.596 25.569 1.00 22.26 O ATOM 662 CB PRO A 123 -6.032 0.881 26.716 1.00 21.72 C ATOM 663 CG PRO A 123 -5.810 -0.543 27.098 1.00 22.94 C ATOM 664 CD PRO A 123 -4.468 -0.623 27.766 1.00 22.18 C ATOM 665 N PHE A 124 -4.251 3.213 27.782 1.00 22.20 N ATOM 666 CA PHE A 124 -4.251 4.616 28.083 1.00 22.17 C ATOM 667 C PHE A 124 -2.898 5.240 27.727 1.00 20.79 C ATOM 668 O PHE A 124 -2.876 6.447 27.498 1.00 21.48 O ATOM 669 CB PHE A 124 -4.612 4.863 29.552 1.00 25.28 C ATOM 670 CG PHE A 124 -5.311 6.178 29.792 1.00 29.63 C ATOM 671 CD1 PHE A 124 -6.644 6.354 29.446 1.00 34.91 C ATOM 672 CD2 PHE A 124 -4.631 7.254 30.356 1.00 31.69 C ATOM 673 CE1 PHE A 124 -7.288 7.564 29.683 1.00 40.15 C ATOM 674 CE2 PHE A 124 -5.274 8.466 30.567 1.00 31.43 C ATOM 675 CZ PHE A 124 -6.594 8.621 30.226 1.00 36.00 C ATOM 676 H PHE A 124 -4.104 2.513 28.537 1.00 0.00 H ATOM 677 N THR A 125 -1.819 4.466 27.689 1.00 17.66 N ATOM 678 CA THR A 125 -0.460 5.013 27.379 1.00 18.62 C ATOM 679 C THR A 125 -0.050 4.816 25.914 1.00 17.91 C ATOM 680 O THR A 125 1.007 5.296 25.535 1.00 17.52 O ATOM 681 CB THR A 125 0.604 4.437 28.303 1.00 18.97 C ATOM 682 OG1 THR A 125 0.628 3.011 28.111 1.00 19.73 O ATOM 683 CG2 THR A 125 0.327 4.776 29.759 1.00 20.91 C ATOM 684 HG1 THR A 125 1.314 2.611 28.702 1.00 0.00 H ATOM 685 H THR A 125 -1.921 3.449 27.880 1.00 0.00 H ATOM 686 N ALA A 126 -0.783 3.993 25.170 1.00 17.48 N ATOM 687 CA ALA A 126 -0.296 3.530 23.846 1.00 18.12 C ATOM 688 C ALA A 126 -0.043 4.692 22.912 1.00 16.63 C ATOM 689 O ALA A 126 0.946 4.640 22.129 1.00 16.79 O ATOM 690 CB ALA A 126 -1.314 2.619 23.217 1.00 17.86 C ATOM 691 H ALA A 126 -1.708 3.670 25.519 1.00 0.00 H ATOM 692 N ARG A 127 -0.904 5.701 22.890 1.00 17.13 N ATOM 693 CA ARG A 127 -0.700 6.765 21.910 1.00 17.10 C ATOM 694 C ARG A 127 0.557 7.546 22.234 1.00 16.57 C ATOM 695 O ARG A 127 1.322 7.922 21.338 1.00 16.16 O ATOM 696 CB ARG A 127 -1.920 7.651 21.757 1.00 17.80 C ATOM 697 CG ARG A 127 -1.853 8.546 20.545 1.00 18.45 C ATOM 698 CD ARG A 127 -3.164 9.238 20.288 1.00 21.13 C ATOM 699 NE ARG A 127 -3.114 9.983 19.065 1.00 21.36 N ATOM 700 CZ ARG A 127 -4.138 10.582 18.504 1.00 26.22 C ATOM 701 NH1 ARG A 127 -5.299 10.633 19.136 1.00 28.99 N ATOM 702 NH2 ARG A 127 -3.970 11.173 17.332 1.00 29.58 N ATOM 703 HE ARG A 127 -2.194 10.055 18.584 1.00 0.00 H ATOM 704 HH12 ARG A 127 -6.112 11.107 18.693 1.00 0.00 H ATOM 705 HH11 ARG A 127 -5.399 10.199 20.076 1.00 0.00 H ATOM 706 HH22 ARG A 127 -4.770 11.653 16.872 1.00 0.00 H ATOM 707 HH21 ARG A 127 -3.038 11.158 16.871 1.00 0.00 H ATOM 708 H ARG A 127 -1.704 5.734 23.554 1.00 0.00 H ATOM 709 N GLY A 128 0.753 7.853 23.503 1.00 16.65 N ATOM 710 CA GLY A 128 1.945 8.554 23.881 1.00 16.98 C ATOM 711 C GLY A 128 3.190 7.757 23.564 1.00 16.97 C ATOM 712 O GLY A 128 4.192 8.334 23.137 1.00 17.90 O ATOM 713 H GLY A 128 0.049 7.589 24.222 1.00 0.00 H ATOM 714 N ARG A 129 3.189 6.430 23.785 1.00 16.95 N ATOM 715 CA ARG A 129 4.335 5.623 23.481 1.00 18.39 C ATOM 716 C ARG A 129 4.623 5.653 21.966 1.00 16.44 C ATOM 717 O ARG A 129 5.790 5.774 21.534 1.00 17.56 O ATOM 718 CB ARG A 129 4.141 4.155 23.867 1.00 22.81 C ATOM 719 CG ARG A 129 3.938 3.923 25.354 1.00 31.05 C ATOM 720 CD ARG A 129 5.232 3.570 26.047 1.00 32.46 C ATOM 721 NE ARG A 129 4.929 3.331 27.457 1.00 39.28 N ATOM 722 CZ ARG A 129 4.990 4.253 28.415 1.00 36.33 C ATOM 723 NH1 ARG A 129 4.557 3.971 29.635 1.00 40.07 N ATOM 724 NH2 ARG A 129 5.558 5.421 28.172 1.00 37.74 N ATOM 725 HE ARG A 129 4.645 2.369 27.732 1.00 0.00 H ATOM 726 HH12 ARG A 129 4.605 4.692 30.383 1.00 0.00 H ATOM 727 HH11 ARG A 129 4.169 3.029 29.844 1.00 0.00 H ATOM 728 HH22 ARG A 129 5.606 6.142 28.920 1.00 0.00 H ATOM 729 HH21 ARG A 129 5.957 5.620 27.232 1.00 0.00 H ATOM 730 H ARG A 129 2.340 5.980 24.184 1.00 0.00 H ATOM 731 N PHE A 130 3.564 5.512 21.188 1.00 14.34 N ATOM 732 CA PHE A 130 3.685 5.514 19.720 1.00 13.63 C ATOM 733 C PHE A 130 4.259 6.837 19.229 1.00 13.73 C ATOM 734 O PHE A 130 5.246 6.895 18.472 1.00 13.51 O ATOM 735 CB PHE A 130 2.323 5.275 19.087 1.00 14.51 C ATOM 736 CG PHE A 130 2.251 5.452 17.571 1.00 15.15 C ATOM 737 CD1 PHE A 130 2.517 4.391 16.731 1.00 17.59 C ATOM 738 CD2 PHE A 130 1.878 6.638 16.995 1.00 16.15 C ATOM 739 CE1 PHE A 130 2.476 4.530 15.344 1.00 15.86 C ATOM 740 CE2 PHE A 130 1.850 6.805 15.624 1.00 15.83 C ATOM 741 CZ PHE A 130 2.121 5.733 14.802 1.00 15.76 C ATOM 742 H PHE A 130 2.626 5.397 21.621 1.00 0.00 H ATOM 743 N ALA A 131 3.626 7.946 19.653 1.00 12.46 N ATOM 744 CA ALA A 131 3.951 9.253 19.127 1.00 13.88 C ATOM 745 C ALA A 131 5.382 9.630 19.508 1.00 14.40 C ATOM 746 O ALA A 131 6.113 10.276 18.783 1.00 14.88 O ATOM 747 CB ALA A 131 2.964 10.298 19.611 1.00 15.99 C ATOM 748 H ALA A 131 2.884 7.861 20.377 1.00 0.00 H ATOM 749 N THR A 132 5.815 9.270 20.695 1.00 14.45 N ATOM 750 CA THR A 132 7.159 9.585 21.185 1.00 14.65 C ATOM 751 C THR A 132 8.186 8.988 20.229 1.00 14.28 C ATOM 752 O THR A 132 9.171 9.645 19.861 1.00 15.28 O ATOM 753 CB THR A 132 7.400 9.052 22.603 1.00 16.32 C ATOM 754 OG1 THR A 132 6.499 9.773 23.454 1.00 18.73 O ATOM 755 CG2 THR A 132 8.837 9.193 23.056 1.00 18.38 C ATOM 756 HG1 THR A 132 5.568 9.607 23.162 1.00 0.00 H ATOM 757 H THR A 132 5.174 8.736 21.316 1.00 0.00 H ATOM 758 N VAL A 133 7.975 7.732 19.847 1.00 13.99 N ATOM 759 CA VAL A 133 8.935 7.058 18.947 1.00 13.92 C ATOM 760 C VAL A 133 8.873 7.658 17.540 1.00 13.43 C ATOM 761 O VAL A 133 9.898 7.947 16.939 1.00 14.45 O ATOM 762 CB VAL A 133 8.661 5.565 18.904 1.00 14.32 C ATOM 763 CG1 VAL A 133 9.429 4.861 17.787 1.00 15.45 C ATOM 764 CG2 VAL A 133 8.953 4.931 20.267 1.00 14.62 C ATOM 765 H VAL A 133 7.133 7.222 20.182 1.00 0.00 H ATOM 766 N VAL A 134 7.679 7.909 17.032 1.00 11.84 N ATOM 767 CA VAL A 134 7.548 8.485 15.711 1.00 11.92 C ATOM 768 C VAL A 134 8.261 9.825 15.684 1.00 13.41 C ATOM 769 O VAL A 134 8.951 10.179 14.705 1.00 13.41 O ATOM 770 CB VAL A 134 6.094 8.585 15.259 1.00 12.85 C ATOM 771 CG1 VAL A 134 5.964 9.334 13.937 1.00 13.07 C ATOM 772 CG2 VAL A 134 5.500 7.176 15.155 1.00 15.00 C ATOM 773 H VAL A 134 6.826 7.691 17.586 1.00 0.00 H ATOM 774 N GLU A 135 8.032 10.691 16.682 1.00 12.68 N ATOM 775 CA GLU A 135 8.698 11.978 16.750 1.00 13.86 C ATOM 776 C GLU A 135 10.213 11.808 16.755 1.00 12.96 C ATOM 777 O GLU A 135 10.882 12.547 16.027 1.00 14.46 O ATOM 778 CB GLU A 135 8.223 12.756 17.995 1.00 14.48 C ATOM 779 CG GLU A 135 8.771 14.163 18.074 1.00 14.95 C ATOM 780 CD GLU A 135 8.280 14.896 19.306 1.00 18.48 C ATOM 781 OE1 GLU A 135 7.078 14.808 19.598 1.00 17.98 O ATOM 782 OE2 GLU A 135 9.114 15.522 19.971 1.00 22.14 O ATOM 783 H GLU A 135 7.357 10.432 17.430 1.00 0.00 H ATOM 784 N GLU A 136 10.744 10.841 17.494 1.00 13.39 N ATOM 785 CA GLU A 136 12.181 10.611 17.484 1.00 15.19 C ATOM 786 C GLU A 136 12.652 10.219 16.089 1.00 14.86 C ATOM 787 O GLU A 136 13.749 10.645 15.680 1.00 15.59 O ATOM 788 CB GLU A 136 12.537 9.499 18.451 1.00 16.25 C ATOM 789 CG GLU A 136 12.428 9.887 19.908 1.00 20.55 C ATOM 790 CD GLU A 136 12.528 8.740 20.907 1.00 25.97 C ATOM 791 OE1 GLU A 136 12.336 7.569 20.530 1.00 26.13 O ATOM 792 OE2 GLU A 136 12.680 9.038 22.108 1.00 30.92 O ATOM 793 H GLU A 136 10.129 10.244 18.084 1.00 0.00 H ATOM 794 N LEU A 137 11.890 9.364 15.414 1.00 14.01 N ATOM 795 CA LEU A 137 12.339 8.839 14.097 1.00 13.66 C ATOM 796 C LEU A 137 12.507 9.983 13.143 1.00 14.00 C ATOM 797 O LEU A 137 13.432 9.875 12.285 1.00 15.78 O ATOM 798 CB LEU A 137 11.317 7.875 13.503 1.00 14.86 C ATOM 799 CG LEU A 137 11.302 6.489 14.138 1.00 15.53 C ATOM 800 CD1 LEU A 137 10.173 5.651 13.559 1.00 16.87 C ATOM 801 CD2 LEU A 137 12.615 5.742 13.890 1.00 16.78 C ATOM 802 H LEU A 137 10.977 9.061 15.808 1.00 0.00 H ATOM 803 N PHE A 138 11.670 11.005 13.169 1.00 12.69 N ATOM 804 CA PHE A 138 11.670 12.073 12.148 1.00 13.25 C ATOM 805 C PHE A 138 12.188 13.437 12.618 1.00 14.48 C ATOM 806 O PHE A 138 12.072 14.434 11.865 1.00 15.80 O ATOM 807 CB PHE A 138 10.273 12.186 11.519 1.00 13.19 C ATOM 808 CG PHE A 138 9.870 10.925 10.804 1.00 13.27 C ATOM 809 CD1 PHE A 138 10.516 10.544 9.634 1.00 13.40 C ATOM 810 CD2 PHE A 138 8.915 10.055 11.314 1.00 12.84 C ATOM 811 CE1 PHE A 138 10.222 9.351 8.998 1.00 12.98 C ATOM 812 CE2 PHE A 138 8.592 8.889 10.646 1.00 12.49 C ATOM 813 CZ PHE A 138 9.264 8.504 9.500 1.00 12.53 C ATOM 814 H PHE A 138 10.979 11.060 13.944 1.00 0.00 H ATOM 815 N ARG A 139 12.764 13.471 13.818 1.00 16.93 N ATOM 816 CA ARG A 139 13.186 14.731 14.393 1.00 18.75 C ATOM 817 C ARG A 139 14.230 15.438 13.509 1.00 19.58 C ATOM 818 O ARG A 139 14.232 16.657 13.442 1.00 21.65 O ATOM 819 CB ARG A 139 13.755 14.512 15.792 1.00 21.35 C ATOM 820 CG ARG A 139 14.230 15.814 16.432 1.00 25.71 C ATOM 821 CD ARG A 139 14.873 15.720 17.794 1.00 33.15 C ATOM 822 NE ARG A 139 15.137 17.095 18.241 1.00 42.80 N ATOM 823 CZ ARG A 139 15.682 18.056 17.478 1.00 52.38 C ATOM 824 NH1 ARG A 139 15.578 19.332 17.821 1.00 55.02 N ATOM 825 NH2 ARG A 139 16.322 17.740 16.363 1.00 51.99 N ATOM 826 HE ARG A 139 14.883 17.341 19.219 1.00 0.00 H ATOM 827 HH12 ARG A 139 16.004 20.068 17.222 1.00 0.00 H ATOM 828 HH11 ARG A 139 15.070 19.597 18.689 1.00 0.00 H ATOM 829 HH22 ARG A 139 16.743 18.488 15.775 1.00 0.00 H ATOM 830 HH21 ARG A 139 16.404 16.744 16.075 1.00 0.00 H ATOM 831 H ARG A 139 12.912 12.587 14.346 1.00 0.00 H ATOM 832 N ASP A 140 15.041 14.633 12.856 1.00 19.34 N ATOM 833 CA ASP A 140 16.172 15.127 12.047 1.00 20.79 C ATOM 834 C ASP A 140 15.806 15.067 10.564 1.00 20.41 C ATOM 835 O ASP A 140 16.697 15.216 9.740 1.00 23.16 O ATOM 836 CB ASP A 140 17.441 14.356 12.394 1.00 22.23 C ATOM 837 CG ASP A 140 17.867 14.643 13.824 1.00 28.37 C ATOM 838 OD1 ASP A 140 17.666 15.794 14.271 1.00 30.27 O ATOM 839 OD2 ASP A 140 18.359 13.713 14.480 1.00 39.18 O ATOM 840 H ASP A 140 14.878 13.607 12.912 1.00 0.00 H ATOM 841 N GLY A 141 14.516 14.937 10.212 1.00 18.36 N ATOM 842 CA GLY A 141 14.065 14.937 8.815 1.00 16.74 C ATOM 843 C GLY A 141 13.605 13.556 8.370 1.00 15.64 C ATOM 844 O GLY A 141 13.626 12.575 9.125 1.00 16.45 O ATOM 845 H GLY A 141 13.805 14.832 10.963 1.00 0.00 H ATOM 846 N VAL A 142 13.225 13.498 7.094 1.00 16.29 N ATOM 847 CA VAL A 142 12.616 12.294 6.530 1.00 15.75 C ATOM 848 C VAL A 142 13.591 11.657 5.541 1.00 16.61 C ATOM 849 O VAL A 142 14.237 12.361 4.774 1.00 17.52 O ATOM 850 CB VAL A 142 11.274 12.620 5.875 1.00 16.62 C ATOM 851 CG1 VAL A 142 10.615 11.371 5.356 1.00 16.19 C ATOM 852 CG2 VAL A 142 10.348 13.399 6.785 1.00 16.54 C ATOM 853 H VAL A 142 13.365 14.329 6.485 1.00 0.00 H ATOM 854 N ASN A 143 13.655 10.341 5.517 1.00 14.83 N ATOM 855 CA ASN A 143 14.235 9.614 4.406 1.00 15.80 C ATOM 856 C ASN A 143 13.588 8.251 4.361 1.00 15.01 C ATOM 857 O ASN A 143 12.845 7.877 5.303 1.00 14.89 O ATOM 858 CB ASN A 143 15.758 9.462 4.571 1.00 16.09 C ATOM 859 CG ASN A 143 16.188 8.858 5.882 1.00 17.95 C ATOM 860 OD1 ASN A 143 15.846 7.701 6.184 1.00 18.91 O ATOM 861 ND2 ASN A 143 16.962 9.594 6.675 1.00 20.41 N ATOM 862 HD22 ASN A 143 17.229 10.558 6.392 1.00 0.00 H ATOM 863 HD21 ASN A 143 17.300 9.205 7.578 1.00 0.00 H ATOM 864 H ASN A 143 13.276 9.805 6.324 1.00 0.00 H ATOM 865 N TRP A 144 13.752 7.498 3.288 1.00 14.45 N ATOM 866 CA TRP A 144 13.075 6.219 3.133 1.00 14.19 C ATOM 867 C TRP A 144 13.388 5.222 4.243 1.00 12.99 C ATOM 868 O TRP A 144 12.489 4.471 4.676 1.00 13.71 O ATOM 869 CB TRP A 144 13.317 5.600 1.738 1.00 14.26 C ATOM 870 CG TRP A 144 12.679 6.347 0.613 1.00 14.69 C ATOM 871 CD1 TRP A 144 13.327 6.947 -0.437 1.00 18.63 C ATOM 872 CD2 TRP A 144 11.287 6.506 0.360 1.00 15.47 C ATOM 873 NE1 TRP A 144 12.404 7.480 -1.268 1.00 18.95 N ATOM 874 CE2 TRP A 144 11.150 7.239 -0.842 1.00 16.86 C ATOM 875 CE3 TRP A 144 10.125 6.136 1.021 1.00 15.08 C ATOM 876 CZ2 TRP A 144 9.904 7.586 -1.346 1.00 19.02 C ATOM 877 CZ3 TRP A 144 8.888 6.467 0.511 1.00 15.64 C ATOM 878 CH2 TRP A 144 8.791 7.194 -0.673 1.00 18.02 C ATOM 879 HE1 TRP A 144 12.635 8.012 -2.132 1.00 0.00 H ATOM 880 H TRP A 144 14.384 7.829 2.531 1.00 0.00 H ATOM 881 N GLY A 145 14.628 5.192 4.724 1.00 13.44 N ATOM 882 CA GLY A 145 14.984 4.318 5.821 1.00 13.99 C ATOM 883 C GLY A 145 14.139 4.546 7.058 1.00 12.60 C ATOM 884 O GLY A 145 13.717 3.555 7.699 1.00 15.07 O ATOM 885 H GLY A 145 15.354 5.807 4.304 1.00 0.00 H ATOM 886 N ARG A 146 13.975 5.799 7.397 1.00 13.44 N ATOM 887 CA ARG A 146 13.145 6.126 8.572 1.00 13.25 C ATOM 888 C ARG A 146 11.664 5.824 8.311 1.00 13.57 C ATOM 889 O ARG A 146 10.993 5.386 9.234 1.00 12.49 O ATOM 890 CB ARG A 146 13.371 7.564 8.989 1.00 14.34 C ATOM 891 CG ARG A 146 14.771 7.828 9.533 1.00 15.93 C ATOM 892 CD ARG A 146 15.001 7.189 10.873 1.00 16.89 C ATOM 893 NE ARG A 146 16.387 7.277 11.374 1.00 18.46 N ATOM 894 CZ ARG A 146 16.842 8.165 12.228 1.00 19.61 C ATOM 895 NH1 ARG A 146 16.053 9.067 12.780 1.00 20.14 N ATOM 896 NH2 ARG A 146 18.135 8.108 12.554 1.00 21.41 N ATOM 897 HE ARG A 146 17.064 6.572 11.019 1.00 0.00 H ATOM 898 HH12 ARG A 146 16.443 9.757 13.453 1.00 0.00 H ATOM 899 HH11 ARG A 146 15.041 9.088 12.542 1.00 0.00 H ATOM 900 HH22 ARG A 146 18.532 8.794 13.227 1.00 0.00 H ATOM 901 HH21 ARG A 146 18.745 7.377 12.135 1.00 0.00 H ATOM 902 H ARG A 146 14.425 6.556 6.844 1.00 0.00 H ATOM 903 N ILE A 147 11.180 5.933 7.074 1.00 12.32 N ATOM 904 CA ILE A 147 9.843 5.540 6.757 1.00 11.75 C ATOM 905 C ILE A 147 9.668 4.020 6.938 1.00 11.70 C ATOM 906 O ILE A 147 8.666 3.559 7.504 1.00 11.85 O ATOM 907 CB ILE A 147 9.411 6.029 5.376 1.00 13.06 C ATOM 908 CG1 ILE A 147 9.336 7.561 5.408 1.00 13.07 C ATOM 909 CG2 ILE A 147 8.090 5.441 4.957 1.00 14.01 C ATOM 910 CD1 ILE A 147 9.069 8.196 4.045 1.00 15.97 C ATOM 911 H ILE A 147 11.790 6.313 6.322 1.00 0.00 H ATOM 912 N VAL A 148 10.626 3.214 6.480 1.00 11.81 N ATOM 913 CA VAL A 148 10.556 1.784 6.722 1.00 12.15 C ATOM 914 C VAL A 148 10.552 1.485 8.215 1.00 12.05 C ATOM 915 O VAL A 148 9.776 0.671 8.676 1.00 11.67 O ATOM 916 CB VAL A 148 11.713 1.066 5.990 1.00 13.06 C ATOM 917 CG1 VAL A 148 11.783 -0.397 6.399 1.00 14.02 C ATOM 918 CG2 VAL A 148 11.602 1.232 4.492 1.00 14.00 C ATOM 919 H VAL A 148 11.426 3.611 5.947 1.00 0.00 H ATOM 920 N ALA A 149 11.394 2.179 8.967 1.00 12.37 N ATOM 921 CA ALA A 149 11.454 1.982 10.427 1.00 12.25 C ATOM 922 C ALA A 149 10.085 2.309 11.035 1.00 12.19 C ATOM 923 O ALA A 149 9.643 1.656 12.012 1.00 12.11 O ATOM 924 CB ALA A 149 12.536 2.795 11.065 1.00 12.24 C ATOM 925 H ALA A 149 12.024 2.875 8.519 1.00 0.00 H ATOM 926 N PHE A 150 9.451 3.360 10.537 1.00 11.90 N ATOM 927 CA PHE A 150 8.111 3.790 11.042 1.00 11.68 C ATOM 928 C PHE A 150 7.076 2.703 10.781 1.00 11.89 C ATOM 929 O PHE A 150 6.282 2.357 11.674 1.00 11.78 O ATOM 930 CB PHE A 150 7.755 5.097 10.342 1.00 11.56 C ATOM 931 CG PHE A 150 6.295 5.480 10.335 1.00 11.81 C ATOM 932 CD1 PHE A 150 5.739 6.130 11.396 1.00 12.87 C ATOM 933 CD2 PHE A 150 5.521 5.250 9.226 1.00 13.30 C ATOM 934 CE1 PHE A 150 4.397 6.494 11.327 1.00 12.72 C ATOM 935 CE2 PHE A 150 4.191 5.592 9.175 1.00 12.87 C ATOM 936 CZ PHE A 150 3.658 6.282 10.213 1.00 12.33 C ATOM 937 H PHE A 150 9.899 3.903 9.771 1.00 0.00 H ATOM 938 N PHE A 151 7.001 2.143 9.584 1.00 11.87 N ATOM 939 CA PHE A 151 6.079 1.033 9.292 1.00 11.47 C ATOM 940 C PHE A 151 6.364 -0.190 10.155 1.00 12.33 C ATOM 941 O PHE A 151 5.438 -0.762 10.756 1.00 13.15 O ATOM 942 CB PHE A 151 6.083 0.669 7.811 1.00 12.00 C ATOM 943 CG PHE A 151 5.179 1.534 7.014 1.00 11.89 C ATOM 944 CD1 PHE A 151 3.856 1.159 6.808 1.00 13.13 C ATOM 945 CD2 PHE A 151 5.610 2.705 6.409 1.00 12.42 C ATOM 946 CE1 PHE A 151 3.011 1.975 6.082 1.00 14.12 C ATOM 947 CE2 PHE A 151 4.754 3.498 5.668 1.00 13.38 C ATOM 948 CZ PHE A 151 3.447 3.117 5.515 1.00 13.39 C ATOM 949 H PHE A 151 7.615 2.499 8.824 1.00 0.00 H ATOM 950 N GLU A 152 7.629 -0.552 10.315 1.00 12.91 N ATOM 951 CA GLU A 152 7.942 -1.749 11.081 1.00 13.63 C ATOM 952 C GLU A 152 7.570 -1.476 12.518 1.00 13.26 C ATOM 953 O GLU A 152 7.084 -2.418 13.210 1.00 15.31 O ATOM 954 CB GLU A 152 9.428 -2.115 10.937 1.00 17.61 C ATOM 955 CG GLU A 152 9.715 -3.527 11.385 1.00 21.24 C ATOM 956 CD GLU A 152 9.046 -4.687 10.671 1.00 23.85 C ATOM 957 OE1 GLU A 152 9.079 -5.788 11.235 1.00 33.54 O ATOM 958 OE2 GLU A 152 8.485 -4.512 9.568 1.00 29.02 O ATOM 959 H GLU A 152 8.393 0.016 9.896 1.00 0.00 H ATOM 960 N PHE A 153 7.798 -0.275 13.038 1.00 11.67 N ATOM 961 CA PHE A 153 7.434 0.024 14.428 1.00 12.88 C ATOM 962 C PHE A 153 5.925 -0.065 14.648 1.00 13.84 C ATOM 963 O PHE A 153 5.486 -0.717 15.587 1.00 13.93 O ATOM 964 CB PHE A 153 7.923 1.416 14.784 1.00 13.82 C ATOM 965 CG PHE A 153 7.487 1.852 16.157 1.00 15.34 C ATOM 966 CD1 PHE A 153 7.925 1.221 17.299 1.00 17.36 C ATOM 967 CD2 PHE A 153 6.578 2.889 16.256 1.00 17.20 C ATOM 968 CE1 PHE A 153 7.435 1.642 18.540 1.00 17.06 C ATOM 969 CE2 PHE A 153 6.120 3.318 17.475 1.00 17.41 C ATOM 970 CZ PHE A 153 6.550 2.693 18.604 1.00 17.40 C ATOM 971 H PHE A 153 8.240 0.463 12.453 1.00 0.00 H ATOM 972 N GLY A 154 5.123 0.513 13.750 1.00 12.83 N ATOM 973 CA GLY A 154 3.700 0.370 13.855 1.00 13.00 C ATOM 974 C GLY A 154 3.283 -1.084 13.843 1.00 13.67 C ATOM 975 O GLY A 154 2.365 -1.501 14.610 1.00 13.55 O ATOM 976 H GLY A 154 5.532 1.069 12.972 1.00 0.00 H ATOM 977 N GLY A 155 3.859 -1.879 12.961 1.00 14.41 N ATOM 978 CA GLY A 155 3.502 -3.271 12.842 1.00 15.97 C ATOM 979 C GLY A 155 3.866 -4.000 14.123 1.00 16.14 C ATOM 980 O GLY A 155 3.039 -4.804 14.688 1.00 16.78 O ATOM 981 H GLY A 155 4.592 -1.490 12.334 1.00 0.00 H ATOM 982 N VAL A 156 5.016 -3.734 14.716 1.00 16.56 N ATOM 983 CA VAL A 156 5.400 -4.363 15.963 1.00 17.53 C ATOM 984 C VAL A 156 4.438 -3.952 17.078 1.00 15.94 C ATOM 985 O VAL A 156 4.061 -4.759 17.957 1.00 17.06 O ATOM 986 CB VAL A 156 6.886 -4.080 16.291 1.00 22.82 C ATOM 987 CG1 VAL A 156 7.246 -4.444 17.721 1.00 25.61 C ATOM 988 CG2 VAL A 156 7.746 -4.817 15.289 1.00 25.66 C ATOM 989 H VAL A 156 5.665 -3.052 14.274 1.00 0.00 H ATOM 990 N MET A 157 4.024 -2.707 17.123 1.00 15.36 N ATOM 991 CA MET A 157 3.098 -2.235 18.130 1.00 15.01 C ATOM 992 C MET A 157 1.770 -2.977 17.986 1.00 15.67 C ATOM 993 O MET A 157 1.180 -3.320 19.019 1.00 15.16 O ATOM 994 CB MET A 157 2.853 -0.731 18.104 1.00 18.12 C ATOM 995 CG MET A 157 3.997 0.104 18.641 1.00 22.89 C ATOM 996 SD MET A 157 3.448 1.747 19.349 1.00 28.44 S ATOM 997 CE MET A 157 1.961 1.457 20.298 1.00 24.22 C ATOM 998 H MET A 157 4.374 -2.036 16.410 1.00 0.00 H ATOM 999 N CYS A 158 1.322 -3.248 16.781 1.00 13.66 N ATOM 1000 CA CYS A 158 0.070 -4.007 16.600 1.00 13.84 C ATOM 1001 C CYS A 158 0.248 -5.443 17.100 1.00 14.95 C ATOM 1002 O CYS A 158 -0.648 -5.954 17.760 1.00 13.91 O ATOM 1003 CB CYS A 158 -0.370 -3.956 15.149 1.00 12.75 C ATOM 1004 SG CYS A 158 -0.915 -2.322 14.599 1.00 14.08 S ATOM 1005 H CYS A 158 1.854 -2.925 15.948 1.00 0.00 H ATOM 1006 N VAL A 159 1.348 -6.097 16.729 1.00 14.45 N ATOM 1007 CA VAL A 159 1.620 -7.475 17.225 1.00 15.66 C ATOM 1008 C VAL A 159 1.680 -7.456 18.742 1.00 15.31 C ATOM 1009 O VAL A 159 1.046 -8.332 19.392 1.00 16.76 O ATOM 1010 CB VAL A 159 2.917 -8.027 16.616 1.00 16.00 C ATOM 1011 CG1 VAL A 159 3.345 -9.311 17.324 1.00 18.29 C ATOM 1012 CG2 VAL A 159 2.754 -8.246 15.144 1.00 17.13 C ATOM 1013 H VAL A 159 2.025 -5.640 16.085 1.00 0.00 H ATOM 1014 N GLU A 160 2.391 -6.536 19.360 1.00 16.34 N ATOM 1015 CA GLU A 160 2.467 -6.484 20.812 1.00 18.00 C ATOM 1016 C GLU A 160 1.093 -6.245 21.431 1.00 18.28 C ATOM 1017 O GLU A 160 0.746 -6.850 22.470 1.00 17.29 O ATOM 1018 CB GLU A 160 3.484 -5.443 21.237 1.00 22.56 C ATOM 1019 CG GLU A 160 4.880 -6.022 21.132 1.00 29.60 C ATOM 1020 CD GLU A 160 4.999 -7.296 21.978 1.00 39.00 C ATOM 1021 OE1 GLU A 160 4.987 -7.176 23.224 1.00 49.45 O ATOM 1022 OE2 GLU A 160 5.017 -8.427 21.395 1.00 43.60 O ATOM 1023 H GLU A 160 2.910 -5.831 18.798 1.00 0.00 H ATOM 1024 N SER A 161 0.241 -5.445 20.821 1.00 15.85 N ATOM 1025 CA SER A 161 -1.106 -5.193 21.313 1.00 15.15 C ATOM 1026 C SER A 161 -1.889 -6.509 21.317 1.00 17.33 C ATOM 1027 O SER A 161 -2.586 -6.832 22.342 1.00 16.23 O ATOM 1028 CB SER A 161 -1.773 -4.148 20.442 1.00 17.34 C ATOM 1029 OG SER A 161 -1.145 -2.880 20.573 1.00 17.49 O ATOM 1030 HG SER A 161 -0.196 -2.954 20.302 1.00 0.00 H ATOM 1031 H SER A 161 0.546 -4.971 19.947 1.00 0.00 H ATOM 1032 N VAL A 162 -1.880 -7.275 20.246 1.00 14.38 N ATOM 1033 CA VAL A 162 -2.526 -8.559 20.235 1.00 15.24 C ATOM 1034 C VAL A 162 -1.936 -9.456 21.305 1.00 16.26 C ATOM 1035 O VAL A 162 -2.700 -10.041 22.102 1.00 15.56 O ATOM 1036 CB VAL A 162 -2.439 -9.203 18.848 1.00 17.29 C ATOM 1037 CG1 VAL A 162 -2.851 -10.674 18.915 1.00 18.40 C ATOM 1038 CG2 VAL A 162 -3.234 -8.437 17.820 1.00 17.97 C ATOM 1039 H VAL A 162 -1.394 -6.943 19.388 1.00 0.00 H ATOM 1040 N ASN A 163 -0.622 -9.549 21.405 1.00 15.36 N ATOM 1041 CA ASN A 163 0.011 -10.465 22.345 1.00 15.95 C ATOM 1042 C ASN A 163 -0.306 -10.120 23.779 1.00 15.70 C ATOM 1043 O ASN A 163 -0.239 -11.069 24.632 1.00 18.57 O ATOM 1044 CB ASN A 163 1.531 -10.456 22.188 1.00 16.51 C ATOM 1045 CG ASN A 163 1.968 -11.124 20.915 1.00 16.05 C ATOM 1046 OD1 ASN A 163 1.210 -11.809 20.245 1.00 19.86 O ATOM 1047 ND2 ASN A 163 3.260 -10.920 20.590 1.00 21.21 N ATOM 1048 HD22 ASN A 163 3.861 -10.327 21.197 1.00 0.00 H ATOM 1049 HD21 ASN A 163 3.655 -11.356 19.732 1.00 0.00 H ATOM 1050 H ASN A 163 -0.024 -8.953 20.797 1.00 0.00 H ATOM 1051 N ARG A 164 -0.554 -8.867 24.086 1.00 14.91 N ATOM 1052 CA ARG A 164 -0.829 -8.371 25.429 1.00 16.95 C ATOM 1053 C ARG A 164 -2.335 -8.259 25.660 1.00 14.79 C ATOM 1054 O ARG A 164 -2.769 -7.611 26.590 1.00 17.00 O ATOM 1055 CB ARG A 164 -0.114 -7.039 25.698 1.00 20.02 C ATOM 1056 CG ARG A 164 1.391 -7.175 25.668 1.00 23.80 C ATOM 1057 CD ARG A 164 2.136 -5.856 25.690 1.00 28.59 C ATOM 1058 NE ARG A 164 1.722 -4.967 26.771 1.00 34.21 N ATOM 1059 CZ ARG A 164 2.207 -5.021 28.002 1.00 36.33 C ATOM 1060 NH1 ARG A 164 3.004 -6.024 28.328 1.00 35.63 N ATOM 1061 NH2 ARG A 164 1.895 -4.092 28.887 1.00 35.16 N ATOM 1062 HE ARG A 164 1.002 -4.247 26.562 1.00 0.00 H ATOM 1063 HH12 ARG A 164 3.396 -6.086 29.289 1.00 0.00 H ATOM 1064 HH11 ARG A 164 3.239 -6.752 27.623 1.00 0.00 H ATOM 1065 HH22 ARG A 164 2.281 -4.142 29.852 1.00 0.00 H ATOM 1066 HH21 ARG A 164 1.264 -3.310 28.619 1.00 0.00 H ATOM 1067 H ARG A 164 -0.554 -8.175 23.310 1.00 0.00 H ATOM 1068 N GLU A 165 -3.159 -8.928 24.847 1.00 14.72 N ATOM 1069 CA GLU A 165 -4.600 -8.982 25.090 1.00 14.38 C ATOM 1070 C GLU A 165 -5.203 -7.587 25.093 1.00 15.87 C ATOM 1071 O GLU A 165 -6.135 -7.282 25.804 1.00 18.11 O ATOM 1072 CB GLU A 165 -4.919 -9.744 26.410 1.00 14.21 C ATOM 1073 CG GLU A 165 -4.524 -11.184 26.336 1.00 15.26 C ATOM 1074 CD GLU A 165 -3.115 -11.576 26.735 1.00 16.10 C ATOM 1075 OE1 GLU A 165 -2.323 -10.773 27.246 1.00 16.57 O ATOM 1076 OE2 GLU A 165 -2.789 -12.810 26.676 1.00 18.04 O ATOM 1077 H GLU A 165 -2.765 -9.422 24.021 1.00 0.00 H ATOM 1078 N MET A 166 -4.750 -6.799 24.107 1.00 15.02 N ATOM 1079 CA MET A 166 -5.201 -5.433 23.891 1.00 17.54 C ATOM 1080 C MET A 166 -5.406 -5.216 22.394 1.00 17.92 C ATOM 1081 O MET A 166 -5.097 -4.139 21.836 1.00 18.50 O ATOM 1082 CB MET A 166 -4.187 -4.398 24.395 1.00 21.50 C ATOM 1083 CG MET A 166 -3.887 -4.494 25.808 1.00 24.46 C ATOM 1084 SD MET A 166 -2.409 -3.455 26.130 1.00 25.27 S ATOM 1085 CE MET A 166 -2.129 -4.142 27.768 1.00 28.08 C ATOM 1086 H MET A 166 -4.035 -7.187 23.459 1.00 0.00 H ATOM 1087 N SER A 167 -6.043 -6.167 21.730 1.00 16.62 N ATOM 1088 CA SER A 167 -6.275 -6.125 20.301 1.00 15.96 C ATOM 1089 C SER A 167 -7.027 -4.881 19.843 1.00 16.05 C ATOM 1090 O SER A 167 -6.769 -4.494 18.686 1.00 15.65 O ATOM 1091 CB SER A 167 -6.962 -7.356 19.758 1.00 17.77 C ATOM 1092 OG SER A 167 -8.308 -7.364 20.109 1.00 18.41 O ATOM 1093 HG SER A 167 -8.738 -8.177 19.744 1.00 0.00 H ATOM 1094 H SER A 167 -6.396 -6.988 22.262 1.00 0.00 H ATOM 1095 N PRO A 168 -7.913 -4.193 20.618 1.00 16.49 N ATOM 1096 CA PRO A 168 -8.532 -2.985 20.099 1.00 17.70 C ATOM 1097 C PRO A 168 -7.551 -1.889 19.707 1.00 16.78 C ATOM 1098 O PRO A 168 -7.901 -1.040 18.875 1.00 17.61 O ATOM 1099 CB PRO A 168 -9.447 -2.487 21.222 1.00 18.28 C ATOM 1100 CG PRO A 168 -9.760 -3.772 21.969 1.00 18.29 C ATOM 1101 CD PRO A 168 -8.457 -4.552 21.955 1.00 18.03 C ATOM 1102 N LEU A 169 -6.353 -1.922 20.280 1.00 15.21 N ATOM 1103 CA LEU A 169 -5.370 -0.900 19.949 1.00 15.80 C ATOM 1104 C LEU A 169 -4.929 -0.990 18.494 1.00 15.39 C ATOM 1105 O LEU A 169 -4.437 0.030 17.972 1.00 15.76 O ATOM 1106 CB LEU A 169 -4.141 -1.010 20.845 1.00 17.39 C ATOM 1107 CG LEU A 169 -4.287 -0.537 22.280 1.00 20.40 C ATOM 1108 CD1 LEU A 169 -2.980 -0.778 23.026 1.00 20.80 C ATOM 1109 CD2 LEU A 169 -4.652 0.936 22.330 1.00 25.77 C ATOM 1110 H LEU A 169 -6.119 -2.673 20.960 1.00 0.00 H ATOM 1111 N VAL A 170 -5.084 -2.131 17.818 1.00 14.84 N ATOM 1112 CA VAL A 170 -4.668 -2.247 16.441 1.00 14.17 C ATOM 1113 C VAL A 170 -5.344 -1.157 15.605 1.00 13.90 C ATOM 1114 O VAL A 170 -4.730 -0.513 14.780 1.00 13.34 O ATOM 1115 CB VAL A 170 -4.958 -3.642 15.887 1.00 13.78 C ATOM 1116 CG1 VAL A 170 -4.700 -3.688 14.402 1.00 13.65 C ATOM 1117 CG2 VAL A 170 -4.144 -4.699 16.623 1.00 14.36 C ATOM 1118 H VAL A 170 -5.512 -2.951 18.293 1.00 0.00 H ATOM 1119 N ASP A 171 -6.649 -1.014 15.783 1.00 14.83 N ATOM 1120 CA ASP A 171 -7.404 -0.046 14.982 1.00 16.18 C ATOM 1121 C ASP A 171 -6.902 1.386 15.212 1.00 14.60 C ATOM 1122 O ASP A 171 -6.825 2.172 14.294 1.00 15.92 O ATOM 1123 CB ASP A 171 -8.890 -0.148 15.313 1.00 18.55 C ATOM 1124 CG ASP A 171 -9.321 -1.582 15.006 1.00 24.47 C ATOM 1125 OD1 ASP A 171 -9.647 -1.838 13.869 1.00 30.55 O ATOM 1126 OD2 ASP A 171 -9.115 -2.437 15.854 1.00 31.93 O ATOM 1127 H ASP A 171 -7.140 -1.592 16.495 1.00 0.00 H ATOM 1128 N ASN A 172 -6.540 1.668 16.440 1.00 14.28 N ATOM 1129 CA ASN A 172 -6.054 2.985 16.832 1.00 14.69 C ATOM 1130 C ASN A 172 -4.653 3.204 16.222 1.00 13.47 C ATOM 1131 O ASN A 172 -4.419 4.293 15.653 1.00 13.47 O ATOM 1132 CB ASN A 172 -5.990 3.140 18.336 1.00 18.39 C ATOM 1133 CG ASN A 172 -7.339 3.122 19.004 1.00 22.67 C ATOM 1134 OD1 ASN A 172 -8.328 3.570 18.442 1.00 31.35 O ATOM 1135 ND2 ASN A 172 -7.282 2.834 20.287 1.00 30.73 N ATOM 1136 HD22 ASN A 172 -6.404 2.455 20.696 1.00 0.00 H ATOM 1137 HD21 ASN A 172 -8.115 2.985 20.891 1.00 0.00 H ATOM 1138 H ASN A 172 -6.602 0.923 17.163 1.00 0.00 H ATOM 1139 N ILE A 173 -3.762 2.235 16.340 1.00 12.40 N ATOM 1140 CA ILE A 173 -2.436 2.372 15.781 1.00 12.36 C ATOM 1141 C ILE A 173 -2.536 2.610 14.273 1.00 12.26 C ATOM 1142 O ILE A 173 -1.802 3.481 13.713 1.00 12.40 O ATOM 1143 CB ILE A 173 -1.578 1.156 16.120 1.00 13.38 C ATOM 1144 CG1 ILE A 173 -1.279 1.088 17.624 1.00 13.48 C ATOM 1145 CG2 ILE A 173 -0.259 1.222 15.338 1.00 14.13 C ATOM 1146 CD1 ILE A 173 -1.068 -0.310 18.135 1.00 14.78 C ATOM 1147 H ILE A 173 -4.019 1.361 16.842 1.00 0.00 H ATOM 1148 N ALA A 174 -3.390 1.875 13.575 1.00 12.21 N ATOM 1149 CA ALA A 174 -3.515 2.069 12.142 1.00 12.65 C ATOM 1150 C ALA A 174 -3.969 3.490 11.826 1.00 13.73 C ATOM 1151 O ALA A 174 -3.462 4.128 10.881 1.00 14.07 O ATOM 1152 CB ALA A 174 -4.498 1.091 11.530 1.00 14.48 C ATOM 1153 H ALA A 174 -3.971 1.158 14.055 1.00 0.00 H ATOM 1154 N LEU A 175 -4.896 4.042 12.617 1.00 13.48 N ATOM 1155 CA LEU A 175 -5.316 5.413 12.449 1.00 14.73 C ATOM 1156 C LEU A 175 -4.138 6.364 12.690 1.00 13.18 C ATOM 1157 O LEU A 175 -3.939 7.298 11.909 1.00 14.35 O ATOM 1158 CB LEU A 175 -6.488 5.699 13.398 1.00 16.85 C ATOM 1159 CG LEU A 175 -6.954 7.147 13.409 1.00 21.25 C ATOM 1160 CD1 LEU A 175 -7.530 7.549 12.073 1.00 22.73 C ATOM 1161 CD2 LEU A 175 -7.929 7.393 14.568 1.00 22.19 C ATOM 1162 H LEU A 175 -5.325 3.469 13.372 1.00 0.00 H ATOM 1163 N TRP A 176 -3.397 6.186 13.759 1.00 12.40 N ATOM 1164 CA TRP A 176 -2.311 7.086 14.120 1.00 12.28 C ATOM 1165 C TRP A 176 -1.224 7.069 13.033 1.00 12.29 C ATOM 1166 O TRP A 176 -0.679 8.110 12.710 1.00 13.05 O ATOM 1167 CB TRP A 176 -1.697 6.775 15.487 1.00 12.99 C ATOM 1168 CG TRP A 176 -2.698 6.744 16.600 1.00 13.55 C ATOM 1169 CD1 TRP A 176 -3.877 7.419 16.643 1.00 15.07 C ATOM 1170 CD2 TRP A 176 -2.610 5.919 17.769 1.00 16.09 C ATOM 1171 NE1 TRP A 176 -4.528 7.103 17.820 1.00 17.79 N ATOM 1172 CE2 TRP A 176 -3.776 6.227 18.510 1.00 15.17 C ATOM 1173 CE3 TRP A 176 -1.603 5.080 18.257 1.00 16.01 C ATOM 1174 CZ2 TRP A 176 -4.010 5.568 19.732 1.00 16.79 C ATOM 1175 CZ3 TRP A 176 -1.864 4.425 19.461 1.00 18.34 C ATOM 1176 CH2 TRP A 176 -3.043 4.697 20.171 1.00 17.70 C ATOM 1177 HE1 TRP A 176 -5.449 7.481 18.123 1.00 0.00 H ATOM 1178 H TRP A 176 -3.594 5.370 14.372 1.00 0.00 H ATOM 1179 N MET A 177 -0.997 5.905 12.434 1.00 12.53 N ATOM 1180 CA MET A 177 -0.001 5.826 11.372 1.00 12.11 C ATOM 1181 C MET A 177 -0.528 6.560 10.137 1.00 12.14 C ATOM 1182 O MET A 177 0.221 7.329 9.490 1.00 12.94 O ATOM 1183 CB MET A 177 0.262 4.384 10.968 1.00 11.97 C ATOM 1184 CG MET A 177 1.023 3.606 12.016 1.00 11.35 C ATOM 1185 SD MET A 177 1.181 1.856 11.630 1.00 13.76 S ATOM 1186 CE MET A 177 2.369 1.935 10.284 1.00 14.36 C ATOM 1187 H MET A 177 -1.526 5.057 12.720 1.00 0.00 H ATOM 1188 N THR A 178 -1.801 6.335 9.780 1.00 11.58 N ATOM 1189 CA THR A 178 -2.356 6.999 8.613 1.00 14.63 C ATOM 1190 C THR A 178 -2.358 8.509 8.793 1.00 14.42 C ATOM 1191 O THR A 178 -1.980 9.221 7.846 1.00 13.48 O ATOM 1192 CB THR A 178 -3.785 6.496 8.384 1.00 14.49 C ATOM 1193 OG1 THR A 178 -3.792 5.078 8.195 1.00 15.31 O ATOM 1194 CG2 THR A 178 -4.433 7.161 7.190 1.00 17.31 C ATOM 1195 HG1 THR A 178 -3.420 4.637 9.000 1.00 0.00 H ATOM 1196 H THR A 178 -2.391 5.685 10.338 1.00 0.00 H ATOM 1197 N GLU A 179 -2.745 8.984 9.982 1.00 13.64 N ATOM 1198 CA GLU A 179 -2.830 10.454 10.233 1.00 14.13 C ATOM 1199 C GLU A 179 -1.423 11.010 10.035 1.00 14.02 C ATOM 1200 O GLU A 179 -1.259 12.093 9.449 1.00 14.35 O ATOM 1201 CB GLU A 179 -3.335 10.757 11.646 1.00 17.69 C ATOM 1202 CG GLU A 179 -4.791 10.492 11.901 1.00 23.53 C ATOM 1203 CD GLU A 179 -5.213 10.556 13.369 1.00 27.43 C ATOM 1204 OE1 GLU A 179 -6.433 10.780 13.617 1.00 35.84 O ATOM 1205 OE2 GLU A 179 -4.368 10.348 14.272 1.00 36.24 O ATOM 1206 H GLU A 179 -2.991 8.320 10.743 1.00 0.00 H ATOM 1207 N TYR A 180 -0.407 10.355 10.563 1.00 12.34 N ATOM 1208 CA TYR A 180 0.927 10.914 10.480 1.00 12.24 C ATOM 1209 C TYR A 180 1.444 10.894 9.031 1.00 13.19 C ATOM 1210 O TYR A 180 2.090 11.888 8.566 1.00 13.35 O ATOM 1211 CB TYR A 180 1.925 10.137 11.342 1.00 13.28 C ATOM 1212 CG TYR A 180 3.264 10.806 11.479 1.00 13.42 C ATOM 1213 CD1 TYR A 180 3.423 11.912 12.277 1.00 13.30 C ATOM 1214 CD2 TYR A 180 4.347 10.373 10.780 1.00 14.55 C ATOM 1215 CE1 TYR A 180 4.646 12.530 12.403 1.00 14.25 C ATOM 1216 CE2 TYR A 180 5.573 10.990 10.874 1.00 14.31 C ATOM 1217 CZ TYR A 180 5.716 12.086 11.681 1.00 14.36 C ATOM 1218 OH TYR A 180 6.969 12.649 11.787 1.00 19.53 O ATOM 1219 HH TYR A 180 6.929 13.428 12.397 1.00 0.00 H ATOM 1220 H TYR A 180 -0.563 9.442 11.036 1.00 0.00 H ATOM 1221 N LEU A 181 1.186 9.815 8.308 1.00 13.03 N ATOM 1222 CA LEU A 181 1.561 9.839 6.892 1.00 16.65 C ATOM 1223 C LEU A 181 0.901 10.973 6.162 1.00 18.89 C ATOM 1224 O LEU A 181 1.654 11.685 5.429 1.00 23.25 O ATOM 1225 CB LEU A 181 1.040 8.555 6.299 1.00 18.38 C ATOM 1226 CG LEU A 181 1.997 7.419 6.412 1.00 20.21 C ATOM 1227 CD1 LEU A 181 1.251 6.108 6.309 1.00 22.22 C ATOM 1228 CD2 LEU A 181 3.030 7.516 5.281 1.00 19.13 C ATOM 1229 H LEU A 181 0.733 8.980 8.731 1.00 0.00 H ATOM 1230 N ASN A 182 -0.392 11.105 6.326 1.00 17.54 N ATOM 1231 CA ASN A 182 -1.291 12.157 5.648 1.00 22.80 C ATOM 1232 C ASN A 182 -0.606 13.514 5.958 1.00 24.49 C ATOM 1233 O ASN A 182 -0.184 14.288 5.040 1.00 30.50 O ATOM 1234 CB ASN A 182 -2.762 12.080 6.110 1.00 25.18 C ATOM 1235 CG ASN A 182 -3.624 10.884 5.721 1.00 23.19 C ATOM 1236 OD1 ASN A 182 -3.267 10.206 4.757 1.00 18.44 O ATOM 1237 ND2 ASN A 182 -4.745 10.670 6.466 1.00 23.70 N ATOM 1238 HD22 ASN A 182 -4.966 11.298 7.265 1.00 0.00 H ATOM 1239 HD21 ASN A 182 -5.380 9.879 6.235 1.00 0.00 H ATOM 1240 H ASN A 182 -0.855 10.437 6.975 1.00 0.00 H ATOM 1241 N ARG A 183 -0.417 13.809 7.234 1.00 18.06 N ATOM 1242 CA ARG A 183 -0.160 15.179 7.708 1.00 19.04 C ATOM 1243 C ARG A 183 1.316 15.534 7.562 1.00 19.74 C ATOM 1244 O ARG A 183 1.633 16.733 7.239 1.00 22.72 O ATOM 1245 CB ARG A 183 -0.581 15.282 9.175 1.00 20.17 C ATOM 1246 CG ARG A 183 -0.254 16.637 9.793 1.00 23.59 C ATOM 1247 CD ARG A 183 -0.818 16.719 11.205 1.00 26.68 C ATOM 1248 NE ARG A 183 -0.398 15.668 12.119 1.00 27.67 N ATOM 1249 CZ ARG A 183 0.793 15.593 12.700 1.00 31.67 C ATOM 1250 NH1 ARG A 183 1.030 14.614 13.562 1.00 29.94 N ATOM 1251 NH2 ARG A 183 1.713 16.501 12.415 1.00 34.52 N ATOM 1252 HE ARG A 183 -1.084 14.917 12.334 1.00 0.00 H ATOM 1253 HH12 ARG A 183 1.958 14.542 14.025 1.00 0.00 H ATOM 1254 HH11 ARG A 183 0.287 13.918 13.775 1.00 0.00 H ATOM 1255 HH22 ARG A 183 2.649 16.451 12.865 1.00 0.00 H ATOM 1256 HH21 ARG A 183 1.499 17.264 11.741 1.00 0.00 H ATOM 1257 H ARG A 183 -0.452 13.039 7.933 1.00 0.00 H ATOM 1258 N HIS A 184 2.239 14.644 7.891 1.00 17.65 N ATOM 1259 CA HIS A 184 3.609 14.987 8.074 1.00 18.54 C ATOM 1260 C HIS A 184 4.562 14.387 7.048 1.00 20.65 C ATOM 1261 O HIS A 184 5.626 14.947 6.798 1.00 26.48 O ATOM 1262 CB HIS A 184 4.126 14.546 9.442 1.00 20.15 C ATOM 1263 CG HIS A 184 5.490 15.085 9.748 1.00 26.26 C ATOM 1264 ND1 HIS A 184 5.697 16.369 10.267 1.00 30.06 N ATOM 1265 CD2 HIS A 184 6.720 14.556 9.547 1.00 28.67 C ATOM 1266 CE1 HIS A 184 7.003 16.569 10.414 1.00 33.58 C ATOM 1267 NE2 HIS A 184 7.656 15.485 9.956 1.00 32.54 N ATOM 1268 H HIS A 184 1.952 13.653 8.021 1.00 0.00 H ATOM 1269 N LEU A 185 4.257 13.227 6.455 1.00 17.23 N ATOM 1270 CA LEU A 185 5.207 12.578 5.549 1.00 17.36 C ATOM 1271 C LEU A 185 4.827 12.721 4.071 1.00 18.37 C ATOM 1272 O LEU A 185 5.705 12.579 3.234 1.00 18.95 O ATOM 1273 CB LEU A 185 5.312 11.102 5.874 1.00 16.50 C ATOM 1274 CG LEU A 185 5.888 10.728 7.245 1.00 16.53 C ATOM 1275 CD1 LEU A 185 5.870 9.221 7.458 1.00 16.97 C ATOM 1276 CD2 LEU A 185 7.298 11.203 7.378 1.00 17.60 C ATOM 1277 H LEU A 185 3.336 12.782 6.639 1.00 0.00 H ATOM 1278 N HIS A 186 3.538 12.913 3.792 1.00 20.69 N ATOM 1279 CA HIS A 186 3.105 12.826 2.365 1.00 22.00 C ATOM 1280 C HIS A 186 3.812 13.875 1.493 1.00 20.95 C ATOM 1281 O HIS A 186 4.144 13.563 0.318 1.00 21.38 O ATOM 1282 CB HIS A 186 1.580 12.921 2.230 1.00 25.42 C ATOM 1283 CG HIS A 186 1.096 12.783 0.817 1.00 31.53 C ATOM 1284 ND1 HIS A 186 1.244 13.806 -0.122 1.00 35.33 N ATOM 1285 CD2 HIS A 186 0.424 11.785 0.199 1.00 44.61 C ATOM 1286 CE1 HIS A 186 0.724 13.414 -1.276 1.00 40.17 C ATOM 1287 NE2 HIS A 186 0.210 12.167 -1.105 1.00 34.80 N ATOM 1288 H HIS A 186 2.853 13.118 4.547 1.00 0.00 H ATOM 1289 N THR A 187 4.000 15.105 1.985 1.00 20.49 N ATOM 1290 CA THR A 187 4.688 16.134 1.145 1.00 21.89 C ATOM 1291 C THR A 187 6.087 15.657 0.742 1.00 19.66 C ATOM 1292 O THR A 187 6.488 15.752 -0.417 1.00 19.82 O ATOM 1293 CB THR A 187 4.793 17.493 1.825 1.00 23.41 C ATOM 1294 OG1 THR A 187 3.424 17.890 1.940 1.00 30.61 O ATOM 1295 CG2 THR A 187 5.559 18.515 1.010 1.00 28.92 C ATOM 1296 HG1 THR A 187 2.933 17.225 2.485 1.00 0.00 H ATOM 1297 H THR A 187 3.671 15.343 2.942 1.00 0.00 H ATOM 1298 N TRP A 188 6.858 15.186 1.707 1.00 17.27 N ATOM 1299 CA TRP A 188 8.195 14.648 1.438 1.00 16.54 C ATOM 1300 C TRP A 188 8.100 13.500 0.444 1.00 18.38 C ATOM 1301 O TRP A 188 8.862 13.426 -0.506 1.00 17.61 O ATOM 1302 CB TRP A 188 8.894 14.197 2.723 1.00 16.30 C ATOM 1303 CG TRP A 188 10.320 13.792 2.499 1.00 16.31 C ATOM 1304 CD1 TRP A 188 11.443 14.554 2.607 1.00 16.98 C ATOM 1305 CD2 TRP A 188 10.764 12.491 2.077 1.00 16.17 C ATOM 1306 NE1 TRP A 188 12.555 13.815 2.313 1.00 20.21 N ATOM 1307 CE2 TRP A 188 12.166 12.545 1.953 1.00 19.38 C ATOM 1308 CE3 TRP A 188 10.110 11.285 1.798 1.00 17.40 C ATOM 1309 CZ2 TRP A 188 12.922 11.462 1.509 1.00 20.61 C ATOM 1310 CZ3 TRP A 188 10.860 10.208 1.379 1.00 17.24 C ATOM 1311 CH2 TRP A 188 12.244 10.297 1.235 1.00 20.27 C ATOM 1312 HE1 TRP A 188 13.536 14.157 2.355 1.00 0.00 H ATOM 1313 H TRP A 188 6.506 15.197 2.686 1.00 0.00 H ATOM 1314 N ILE A 189 7.164 12.575 0.655 1.00 15.51 N ATOM 1315 CA ILE A 189 7.030 11.361 -0.281 1.00 19.38 C ATOM 1316 C ILE A 189 6.758 11.881 -1.700 1.00 18.47 C ATOM 1317 O ILE A 189 7.456 11.467 -2.600 1.00 19.58 O ATOM 1318 CB ILE A 189 5.947 10.411 0.252 1.00 18.16 C ATOM 1319 CG1 ILE A 189 6.433 9.726 1.539 1.00 18.02 C ATOM 1320 CG2 ILE A 189 5.590 9.387 -0.805 1.00 17.79 C ATOM 1321 CD1 ILE A 189 5.396 8.932 2.326 1.00 17.91 C ATOM 1322 H ILE A 189 6.516 12.675 1.462 1.00 0.00 H ATOM 1323 N GLN A 190 5.783 12.761 -1.836 1.00 17.86 N ATOM 1324 CA GLN A 190 5.433 13.266 -3.157 1.00 19.59 C ATOM 1325 C GLN A 190 6.660 13.980 -3.729 1.00 22.89 C ATOM 1326 O GLN A 190 6.974 13.761 -4.876 1.00 25.18 O ATOM 1327 CB GLN A 190 4.199 14.143 -3.130 1.00 21.17 C ATOM 1328 CG GLN A 190 3.845 14.606 -4.537 1.00 25.13 C ATOM 1329 CD GLN A 190 2.523 15.329 -4.687 1.00 32.40 C ATOM 1330 OE1 GLN A 190 1.637 15.291 -3.837 1.00 33.95 O ATOM 1331 NE2 GLN A 190 2.370 16.012 -5.815 1.00 34.96 N ATOM 1332 HE22 GLN A 190 3.134 16.030 -6.520 1.00 0.00 H ATOM 1333 HE21 GLN A 190 1.486 16.530 -5.994 1.00 0.00 H ATOM 1334 H GLN A 190 5.264 13.094 -0.999 1.00 0.00 H ATOM 1335 N ASP A 191 7.369 14.778 -2.921 1.00 18.94 N ATOM 1336 CA ASP A 191 8.495 15.587 -3.471 1.00 22.38 C ATOM 1337 C ASP A 191 9.619 14.653 -3.932 1.00 22.61 C ATOM 1338 O ASP A 191 10.362 15.015 -4.889 1.00 28.53 O ATOM 1339 CB ASP A 191 9.030 16.570 -2.427 1.00 21.24 C ATOM 1340 CG ASP A 191 8.176 17.818 -2.240 1.00 23.49 C ATOM 1341 OD1 ASP A 191 7.157 18.018 -2.964 1.00 26.24 O ATOM 1342 OD2 ASP A 191 8.476 18.569 -1.316 1.00 26.90 O ATOM 1343 H ASP A 191 7.135 14.834 -1.909 1.00 0.00 H ATOM 1344 N ASN A 192 9.802 13.524 -3.270 1.00 22.17 N ATOM 1345 CA ASN A 192 10.948 12.675 -3.389 1.00 24.03 C ATOM 1346 C ASN A 192 10.711 11.552 -4.403 1.00 18.70 C ATOM 1347 O ASN A 192 11.446 10.555 -4.355 1.00 21.91 O ATOM 1348 CB ASN A 192 11.285 11.946 -2.074 1.00 30.18 C ATOM 1349 CG ASN A 192 12.223 12.742 -1.224 1.00 24.72 C ATOM 1350 OD1 ASN A 192 13.439 12.530 -1.302 1.00 28.82 O ATOM 1351 ND2 ASN A 192 11.700 13.772 -0.583 1.00 27.94 N ATOM 1352 HD22 ASN A 192 10.668 13.896 -0.553 1.00 0.00 H ATOM 1353 HD21 ASN A 192 12.320 14.459 -0.108 1.00 0.00 H ATOM 1354 H ASN A 192 9.054 13.229 -2.610 1.00 0.00 H ATOM 1355 N GLY A 193 9.692 11.667 -5.265 1.00 18.77 N ATOM 1356 CA GLY A 193 9.433 10.695 -6.318 1.00 19.71 C ATOM 1357 C GLY A 193 8.309 9.717 -6.024 1.00 20.23 C ATOM 1358 O GLY A 193 8.017 8.852 -6.829 1.00 22.57 O ATOM 1359 H GLY A 193 9.058 12.487 -5.178 1.00 0.00 H ATOM 1360 N GLY A 194 7.689 9.819 -4.829 1.00 19.29 N ATOM 1361 CA GLY A 194 6.602 8.949 -4.460 1.00 19.44 C ATOM 1362 C GLY A 194 7.055 7.530 -4.118 1.00 16.08 C ATOM 1363 O GLY A 194 8.204 7.151 -4.136 1.00 16.51 O ATOM 1364 H GLY A 194 8.005 10.546 -4.156 1.00 0.00 H ATOM 1365 N TRP A 195 6.063 6.694 -3.900 1.00 16.98 N ATOM 1366 CA TRP A 195 6.306 5.310 -3.566 1.00 16.85 C ATOM 1367 C TRP A 195 6.992 4.569 -4.736 1.00 17.57 C ATOM 1368 O TRP A 195 7.667 3.560 -4.530 1.00 18.51 O ATOM 1369 CB TRP A 195 5.005 4.659 -3.117 1.00 16.19 C ATOM 1370 CG TRP A 195 4.598 5.025 -1.716 1.00 15.66 C ATOM 1371 CD1 TRP A 195 3.603 5.860 -1.355 1.00 17.14 C ATOM 1372 CD2 TRP A 195 5.189 4.519 -0.511 1.00 15.52 C ATOM 1373 NE1 TRP A 195 3.559 5.949 0.013 1.00 17.94 N ATOM 1374 CE2 TRP A 195 4.520 5.153 0.555 1.00 16.82 C ATOM 1375 CE3 TRP A 195 6.272 3.673 -0.276 1.00 16.01 C ATOM 1376 CZ2 TRP A 195 4.840 4.855 1.877 1.00 16.52 C ATOM 1377 CZ3 TRP A 195 6.601 3.403 1.028 1.00 17.79 C ATOM 1378 CH2 TRP A 195 5.903 4.003 2.073 1.00 17.78 C ATOM 1379 HE1 TRP A 195 2.892 6.536 0.554 1.00 0.00 H ATOM 1380 H TRP A 195 5.084 7.037 -3.970 1.00 0.00 H ATOM 1381 N ASP A 196 6.744 5.035 -5.962 1.00 18.42 N ATOM 1382 CA ASP A 196 7.434 4.383 -7.062 1.00 19.62 C ATOM 1383 C ASP A 196 8.956 4.594 -6.956 1.00 17.85 C ATOM 1384 O ASP A 196 9.699 3.707 -7.339 1.00 20.45 O ATOM 1385 CB ASP A 196 6.932 4.890 -8.414 1.00 21.69 C ATOM 1386 CG ASP A 196 5.470 4.543 -8.673 1.00 23.66 C ATOM 1387 OD1 ASP A 196 4.981 3.561 -8.108 1.00 27.62 O ATOM 1388 OD2 ASP A 196 4.843 5.239 -9.474 1.00 33.61 O ATOM 1389 H ASP A 196 6.089 5.826 -6.122 1.00 0.00 H ATOM 1390 N ALA A 197 9.452 5.736 -6.448 1.00 17.35 N ATOM 1391 CA ALA A 197 10.860 5.931 -6.223 1.00 17.91 C ATOM 1392 C ALA A 197 11.330 4.973 -5.129 1.00 18.67 C ATOM 1393 O ALA A 197 12.471 4.501 -5.183 1.00 20.82 O ATOM 1394 CB ALA A 197 11.190 7.351 -5.873 1.00 17.73 C ATOM 1395 H ALA A 197 8.795 6.506 -6.209 1.00 0.00 H ATOM 1396 N PHE A 198 10.513 4.776 -4.068 1.00 17.40 N ATOM 1397 CA PHE A 198 10.877 3.827 -3.054 1.00 17.33 C ATOM 1398 C PHE A 198 11.122 2.440 -3.687 1.00 17.41 C ATOM 1399 O PHE A 198 12.055 1.752 -3.350 1.00 18.35 O ATOM 1400 CB PHE A 198 9.776 3.778 -1.982 1.00 15.79 C ATOM 1401 CG PHE A 198 9.920 2.651 -0.984 1.00 15.98 C ATOM 1402 CD1 PHE A 198 10.861 2.708 0.020 1.00 16.74 C ATOM 1403 CD2 PHE A 198 9.154 1.507 -1.103 1.00 17.22 C ATOM 1404 CE1 PHE A 198 11.011 1.670 0.930 1.00 17.01 C ATOM 1405 CE2 PHE A 198 9.240 0.503 -0.142 1.00 17.26 C ATOM 1406 CZ PHE A 198 10.193 0.570 0.834 1.00 18.07 C ATOM 1407 H PHE A 198 9.624 5.310 -3.988 1.00 0.00 H ATOM 1408 N VAL A 199 10.168 2.009 -4.493 1.00 18.49 N ATOM 1409 CA VAL A 199 10.284 0.711 -5.186 1.00 18.58 C ATOM 1410 C VAL A 199 11.601 0.640 -5.981 1.00 21.15 C ATOM 1411 O VAL A 199 12.273 -0.375 -5.878 1.00 23.96 O ATOM 1412 CB VAL A 199 9.055 0.446 -6.061 1.00 22.31 C ATOM 1413 CG1 VAL A 199 9.285 -0.755 -6.989 1.00 25.30 C ATOM 1414 CG2 VAL A 199 7.821 0.240 -5.204 1.00 22.40 C ATOM 1415 H VAL A 199 9.321 2.594 -4.642 1.00 0.00 H ATOM 1416 N GLU A 200 11.971 1.698 -6.700 1.00 21.23 N ATOM 1417 CA GLU A 200 13.205 1.638 -7.493 1.00 26.19 C ATOM 1418 C GLU A 200 14.426 1.524 -6.565 1.00 27.96 C ATOM 1419 O GLU A 200 15.355 0.721 -6.805 1.00 29.84 O ATOM 1420 CB GLU A 200 13.250 2.853 -8.421 1.00 31.78 C ATOM 1421 CG GLU A 200 14.602 3.041 -9.097 1.00 37.49 C ATOM 1422 CD GLU A 200 14.591 3.789 -10.418 1.00 43.78 C ATOM 1423 OE1 GLU A 200 15.669 3.876 -11.022 1.00 51.34 O ATOM 1424 OE2 GLU A 200 13.504 4.229 -10.861 1.00 49.43 O ATOM 1425 H GLU A 200 11.390 2.561 -6.700 1.00 0.00 H ATOM 1426 N LEU A 201 14.419 2.253 -5.439 1.00 23.01 N ATOM 1427 CA LEU A 201 15.524 2.254 -4.524 1.00 22.87 C ATOM 1428 C LEU A 201 15.625 0.907 -3.812 1.00 25.26 C ATOM 1429 O LEU A 201 16.748 0.415 -3.608 1.00 26.64 O ATOM 1430 CB LEU A 201 15.361 3.414 -3.540 1.00 23.64 C ATOM 1431 CG LEU A 201 15.660 4.772 -4.171 1.00 27.22 C ATOM 1432 CD1 LEU A 201 15.135 5.892 -3.292 1.00 29.02 C ATOM 1433 CD2 LEU A 201 17.154 4.955 -4.451 1.00 30.29 C ATOM 1434 H LEU A 201 13.586 2.836 -5.222 1.00 0.00 H ATOM 1435 N TYR A 202 14.494 0.316 -3.445 1.00 23.35 N ATOM 1436 CA TYR A 202 14.500 -0.915 -2.603 1.00 25.57 C ATOM 1437 C TYR A 202 14.237 -2.182 -3.415 1.00 30.01 C ATOM 1438 O TYR A 202 14.233 -3.268 -2.829 1.00 42.12 O ATOM 1439 CB TYR A 202 13.464 -0.813 -1.479 1.00 24.94 C ATOM 1440 CG TYR A 202 13.948 -0.041 -0.288 1.00 25.65 C ATOM 1441 CD1 TYR A 202 14.066 1.344 -0.308 1.00 24.37 C ATOM 1442 CD2 TYR A 202 14.289 -0.718 0.873 1.00 27.36 C ATOM 1443 CE1 TYR A 202 14.535 2.036 0.790 1.00 26.85 C ATOM 1444 CE2 TYR A 202 14.738 -0.049 1.981 1.00 26.49 C ATOM 1445 CZ TYR A 202 14.892 1.323 1.928 1.00 26.21 C ATOM 1446 OH TYR A 202 15.336 1.940 3.055 1.00 30.40 O ATOM 1447 HH TYR A 202 15.404 2.914 2.891 1.00 0.00 H ATOM 1448 H TYR A 202 13.586 0.720 -3.751 1.00 0.00 H ATOM 1449 N GLY A 203 14.049 -2.057 -4.728 1.00 39.19 N ATOM 1450 CA GLY A 203 13.624 -3.196 -5.575 1.00 46.99 C ATOM 1451 C GLY A 203 14.686 -3.540 -6.602 1.00 50.57 C ATOM 1452 O GLY A 203 15.842 -3.698 -6.237 1.00 60.21 O ATOM 1453 H GLY A 203 14.206 -1.130 -5.173 1.00 0.00 H TER 1454 GLY A 203 HETATM 1455 O HOH 1 -1.664 10.594 3.177 1.00 27.17 O HETATM 1456 O HOH 2 6.803 -4.218 27.102 1.00 52.26 O HETATM 1457 O HOH 3 17.548 2.899 -9.733 1.00 42.71 O HETATM 1458 O HOH 4 14.915 14.299 -0.374 1.00 24.57 O HETATM 1459 O HOH 5 -10.316 -4.602 16.081 1.00 38.50 O HETATM 1460 O HOH 6 22.053 -5.069 19.912 1.00 44.90 O HETATM 1461 O HOH 7 -1.754 -0.240 -9.494 1.00 50.65 O HETATM 1462 O HOH 8 21.701 -5.221 16.800 1.00 43.51 O HETATM 1463 O HOH 9 -6.589 -15.216 16.591 1.00 28.87 O HETATM 1464 O HOH 10 11.002 -9.163 25.507 1.00 40.09 O HETATM 1465 O HOH 11 -8.133 -5.549 16.555 1.00 31.50 O HETATM 1466 O HOH 12 11.413 16.118 18.991 1.00 28.80 O HETATM 1467 O HOH 13 -2.594 14.556 12.879 1.00 41.80 O HETATM 1468 O HOH 14 17.190 3.734 2.840 1.00 39.77 O HETATM 1469 O HOH 15 -9.736 0.738 19.319 1.00 42.96 O HETATM 1470 O HOH 16 12.942 -9.560 14.137 1.00 43.74 O HETATM 1471 O HOH 17 1.461 -15.534 17.106 1.00 20.07 O HETATM 1472 O HOH 18 1.494 11.739 -4.265 1.00 33.21 O HETATM 1473 O HOH 19 -9.912 -0.017 12.006 1.00 37.90 O HETATM 1474 O HOH 20 1.857 -17.868 9.650 1.00 42.06 O HETATM 1475 O HOH 21 12.795 5.073 21.398 1.00 27.04 O HETATM 1476 O HOH 22 19.492 -11.267 12.081 1.00 43.03 O HETATM 1477 O HOH 23 -6.428 -4.448 4.741 1.00 38.10 O HETATM 1478 O HOH 24 13.339 -10.212 16.730 1.00 44.35 O HETATM 1479 O HOH 25 0.660 -13.527 25.048 1.00 24.36 O HETATM 1480 O HOH 26 14.430 -4.473 1.096 1.00 40.42 O HETATM 1481 O HOH 27 1.194 -1.857 2.122 1.00 21.41 O HETATM 1482 O HOH 28 1.354 11.036 -8.917 1.00 37.82 O HETATM 1483 O HOH 29 13.507 9.135 -3.470 1.00 23.04 O HETATM 1484 O HOH 30 9.007 8.384 -9.249 1.00 31.60 O HETATM 1485 O HOH 31 16.645 4.275 20.133 1.00 31.00 O HETATM 1486 O HOH 32 9.788 -6.994 13.503 1.00 45.46 O HETATM 1487 O HOH 33 4.211 -17.589 7.202 1.00 51.06 O HETATM 1488 O HOH 34 21.246 -6.641 14.653 1.00 34.11 O HETATM 1489 O HOH 35 -8.166 5.579 -2.871 1.00 42.60 O HETATM 1490 O HOH 36 -0.588 12.502 13.330 1.00 32.94 O HETATM 1491 O HOH 37 15.208 11.867 11.160 1.00 22.60 O HETATM 1492 O HOH 38 7.340 14.541 13.648 1.00 30.13 O HETATM 1493 O HOH 39 -4.701 -15.619 10.808 1.00 42.63 O HETATM 1494 O HOH 40 17.672 5.991 7.155 1.00 25.16 O HETATM 1495 O HOH 41 -10.639 -8.904 14.978 1.00 43.24 O HETATM 1496 O HOH 42 2.882 4.425 -11.141 1.00 46.08 O HETATM 1497 O HOH 43 6.427 15.910 4.405 1.00 25.91 O HETATM 1498 O HOH 44 2.638 1.998 29.751 1.00 41.21 O HETATM 1499 O HOH 45 7.380 -16.773 16.631 1.00 44.18 O HETATM 1500 O HOH 46 15.274 0.390 5.280 1.00 30.51 O HETATM 1501 O HOH 47 6.243 -11.348 16.070 1.00 44.09 O HETATM 1502 O HOH 48 5.471 7.337 -7.149 1.00 21.96 O HETATM 1503 O HOH 49 2.878 15.982 4.302 1.00 34.78 O HETATM 1504 O HOH 50 -8.214 2.047 11.959 1.00 33.25 O HETATM 1505 O HOH 51 19.643 -6.291 16.762 1.00 54.99 O HETATM 1506 O HOH 52 -7.043 7.267 18.860 1.00 34.77 O HETATM 1507 O HOH 53 -6.842 11.202 16.280 1.00 41.99 O HETATM 1508 O HOH 54 5.487 12.995 20.880 1.00 21.12 O HETATM 1509 O HOH 55 10.388 15.544 9.825 1.00 31.23 O HETATM 1510 O HOH 56 -5.028 -9.834 10.140 1.00 20.37 O HETATM 1511 O HOH 57 2.101 -12.880 17.888 1.00 22.66 O HETATM 1512 O HOH 58 23.285 -4.095 18.327 1.00 42.80 O HETATM 1513 O HOH 59 15.672 11.258 17.545 1.00 31.17 O HETATM 1514 O HOH 60 6.195 -4.531 11.499 1.00 28.85 O HETATM 1515 O HOH 61 -1.903 2.855 31.924 1.00 34.51 O HETATM 1516 O HOH 62 12.484 -10.470 9.301 1.00 42.33 O HETATM 1517 O HOH 63 -9.463 -10.463 8.497 1.00 31.55 O HETATM 1518 O HOH 64 9.467 15.406 -7.489 1.00 41.64 O HETATM 1519 O HOH 65 20.454 0.554 9.079 1.00 47.78 O HETATM 1520 O HOH 66 -8.388 -5.670 25.538 1.00 38.43 O HETATM 1521 O HOH 67 7.713 5.056 23.426 1.00 32.99 O HETATM 1522 O HOH 68 8.005 -8.622 13.464 1.00 43.34 O HETATM 1523 O HOH 69 15.050 -2.314 4.952 1.00 25.82 O HETATM 1524 O HOH 70 3.511 8.012 -4.147 1.00 21.30 O HETATM 1525 O HOH 71 -1.616 10.406 -2.589 1.00 24.20 O HETATM 1526 O HOH 72 2.844 -3.826 2.701 1.00 25.06 O HETATM 1527 O HOH 73 13.275 15.835 5.510 1.00 26.04 O HETATM 1528 O HOH 74 -3.428 -9.773 4.847 1.00 34.13 O HETATM 1529 O HOH 75 14.319 5.857 -6.836 1.00 42.81 O HETATM 1530 O HOH 76 3.050 -6.721 6.204 1.00 24.42 O HETATM 1531 O HOH 77 6.101 12.270 -7.116 1.00 44.38 O HETATM 1532 O HOH 78 9.785 14.709 14.566 1.00 20.50 O HETATM 1533 O HOH 79 15.555 11.897 13.890 1.00 32.94 O HETATM 1534 O HOH 80 15.005 10.158 -1.405 1.00 25.82 O HETATM 1535 O HOH 81 -0.448 17.191 -3.378 1.00 24.58 O HETATM 1536 O HOH 82 20.199 5.185 13.749 1.00 39.83 O HETATM 1537 O HOH 83 -3.467 5.956 24.351 1.00 23.74 O HETATM 1538 O HOH 84 18.592 4.421 18.194 1.00 34.25 O HETATM 1539 O HOH 85 -1.728 4.823 -8.726 1.00 39.95 O HETATM 1540 O HOH 86 2.141 -6.258 3.512 1.00 27.64 O HETATM 1541 O HOH 87 0.076 10.068 14.675 1.00 21.17 O HETATM 1542 O HOH 88 -6.979 2.922 24.221 1.00 40.08 O HETATM 1543 O HOH 89 22.965 2.422 14.725 1.00 52.48 O HETATM 1544 O HOH 90 -2.936 -7.439 3.657 1.00 29.62 O HETATM 1545 O HOH 91 12.229 -4.217 -0.115 1.00 36.41 O HETATM 1546 O HOH 92 -8.328 -14.269 14.449 1.00 34.21 O HETATM 1547 O HOH 93 7.316 -6.056 7.174 1.00 33.23 O HETATM 1548 O HOH 94 9.958 12.132 21.170 1.00 22.83 O HETATM 1549 O HOH 95 -11.139 -6.482 14.307 1.00 31.61 O HETATM 1550 O HOH 96 -2.460 2.275 -2.100 1.00 40.48 O HETATM 1551 O HOH 97 -3.593 13.402 8.180 1.00 34.82 O HETATM 1552 O HOH 98 19.443 5.748 11.321 1.00 44.59 O HETATM 1553 O HOH 99 18.532 8.803 9.066 1.00 25.54 O HETATM 1554 O HOH 100 20.281 -9.051 15.300 1.00 38.27 O HETATM 1555 O HOH 101 3.513 14.271 -7.941 1.00 41.37 O HETATM 1556 O HOH 102 -6.258 9.409 21.678 1.00 42.58 O HETATM 1557 O HOH 103 18.635 6.036 9.856 1.00 25.04 O HETATM 1558 O HOH 104 15.463 8.843 1.248 1.00 22.43 O HETATM 1559 O HOH 105 -4.553 8.185 2.951 1.00 21.58 O HETATM 1560 O HOH 106 -5.079 -6.931 28.604 1.00 31.11 O HETATM 1561 O HOH 107 4.670 -12.423 18.385 1.00 36.53 O HETATM 1562 O HOH 108 -5.091 1.676 30.240 1.00 33.52 O HETATM 1563 O HOH 109 17.230 -2.677 6.470 1.00 33.08 O HETATM 1564 O HOH 110 15.442 -6.670 -5.620 1.00 51.58 O HETATM 1565 O HOH 111 7.300 12.640 22.711 1.00 33.16 O HETATM 1566 O HOH 112 -5.706 4.076 22.758 1.00 37.52 O HETATM 1567 O HOH 113 -3.521 3.338 -4.071 1.00 37.43 O HETATM 1568 O HOH 114 18.075 10.630 14.550 1.00 41.51 O HETATM 1569 O HOH 115 -2.183 12.859 12.342 1.00 37.03 O HETATM 1570 O HOH 116 4.008 -8.518 26.700 1.00 42.12 O HETATM 1571 O HOH 117 -5.773 12.410 8.916 1.00 28.51 O HETATM 1572 O HOH 118 -5.574 -6.774 3.400 1.00 37.74 O HETATM 1573 O HOH 119 6.719 1.194 -9.402 1.00 46.08 O HETATM 1574 O HOH 120 1.309 8.835 -2.457 1.00 15.35 O HETATM 1575 O HOH 121 7.760 5.925 25.781 1.00 34.41 O HETATM 1576 O HOH 122 17.727 10.929 10.627 1.00 29.22 O HETATM 1577 O HOH 123 -3.585 4.460 -7.219 1.00 50.05 O HETATM 1578 O HOH 124 20.649 4.363 9.742 1.00 47.33 O HETATM 1579 O HOH 125 22.680 -1.513 19.700 1.00 48.75 O HETATM 1580 O HOH 126 -3.262 15.165 6.009 1.00 33.59 O HETATM 1581 O HOH 127 -6.600 3.690 9.682 1.00 42.50 O HETATM 1582 O HOH 128 10.158 5.804 -9.984 1.00 44.21 O HETATM 1583 O HOH 129 -0.336 16.618 -1.265 1.00 48.82 O HETATM 1584 O HOH 130 17.776 1.380 6.810 1.00 39.44 O HETATM 1585 O HOH 131 15.501 -10.445 24.180 1.00 47.05 O HETATM 1586 O HOH 132 3.398 6.897 -12.948 1.00 50.42 O HETATM 1587 O HOH 133 9.490 -7.602 17.468 1.00 36.39 O HETATM 1588 O HOH 134 16.253 -3.283 2.781 1.00 38.25 O HETATM 1589 O HOH 135 -8.075 4.223 26.462 1.00 40.73 O HETATM 1590 O HOH 136 12.312 13.551 19.738 1.00 28.61 O HETATM 1591 O HOH 137 17.771 0.416 0.031 1.00 45.61 O HETATM 1592 O HOH 138 15.956 9.080 20.059 1.00 41.76 O HETATM 1593 O HOH 139 1.019 19.684 -5.716 1.00 34.11 O HETATM 1594 O HOH 140 -4.085 14.769 10.975 1.00 49.65 O HETATM 1595 O HOH 141 14.024 -12.710 17.180 1.00 43.22 O HETATM 1596 O HOH 142 -6.016 5.924 -4.793 1.00 37.10 O HETATM 1597 O HOH 143 10.821 4.731 23.361 1.00 36.31 O HETATM 1598 O HOH 144 18.220 -1.131 2.156 1.00 55.25 O HETATM 1599 O HOH 145 -5.803 6.610 22.746 1.00 34.51 O HETATM 1600 O HOH 146 11.165 17.241 7.838 1.00 42.73 O HETATM 1601 O HOH 147 6.585 -8.199 15.831 1.00 40.81 O HETATM 1602 O HOH 148 10.555 16.973 16.091 1.00 33.16 O HETATM 1603 O HOH 149 -7.845 -3.126 25.185 1.00 41.48 O HETATM 1604 O HOH 150 5.697 19.388 13.569 1.00 34.44 O HETATM 1605 O HOH 151 14.450 13.084 20.115 1.00 34.36 O HETATM 1606 C1 F A 3 15.091 6.380 17.612 1.00 0.01 C HETATM 1607 C2 F A 3 15.599 7.568 16.897 1.00 -0.04 C HETATM 1608 C4 F A 3 16.803 7.317 15.991 1.00 -0.02 C HETATM 1609 C3 F A 3 16.521 6.220 14.958 1.00 0.05 C HETATM 1610 N6 F A 3 15.823 5.115 15.577 1.00 -0.26 N HETATM 1611 C5 F A 3 15.179 5.127 16.767 1.00 0.07 C HETATM 1612 C9 F A 3 14.658 3.936 17.041 1.00 0.05 C HETATM 1613 C8 F A 3 15.032 3.098 15.922 1.00 -0.06 C HETATM 1614 C7 F A 3 15.738 3.858 15.071 1.00 0.05 C HETATM 1615 C13 F A 3 16.363 3.477 13.778 1.00 -0.01 C HETATM 1616 C14 F A 3 15.798 3.835 12.595 1.00 -0.03 C HETATM 1617 C17 F A 3 16.332 3.511 11.397 1.00 0.13 C HETATM 1618 C16 F A 3 17.506 2.792 11.358 1.00 0.13 C HETATM 1619 O20 F A 3 17.850 2.605 10.045 1.00 -0.29 O HETATM 1620 C19 F A 3 16.813 3.165 9.315 1.00 0.19 C HETATM 1621 O18 F A 3 15.911 3.793 10.160 1.00 -0.29 O HETATM 1622 H11 F A 3 17.223 3.903 8.610 1.00 0.10 H HETATM 1623 H12 F A 3 16.294 2.373 8.756 1.00 0.10 H HETATM 1624 C34 F A 3 18.113 2.422 12.528 1.00 -0.02 C HETATM 1625 C15 F A 3 17.547 2.756 13.745 1.00 0.03 C HETATM 1626 C21 F A 3 18.249 2.421 15.052 1.00 0.20 C HETATM 1627 N22 F A 3 18.147 1.259 15.609 1.00 -0.26 N HETATM 1628 C24 F A 3 18.732 1.133 16.949 1.00 0.09 C HETATM 1629 C25 F A 3 17.535 0.910 17.899 1.00 0.01 C HETATM 1630 C28 F A 3 16.568 -0.161 17.496 1.00 -0.04 C HETATM 1631 C27 F A 3 16.513 -0.561 16.145 1.00 -0.02 C HETATM 1632 C26 F A 3 17.352 0.180 15.090 1.00 0.06 C HETATM 1633 H16 F A 3 18.028 -0.547 14.616 1.00 0.07 H HETATM 1634 H17 F A 3 16.667 0.591 14.334 1.00 0.07 H HETATM 1635 C32 F A 3 15.668 -1.549 15.738 1.00 -0.06 C HETATM 1636 C31 F A 3 14.868 -2.274 16.613 1.00 -0.08 C HETATM 1637 C30 F A 3 14.908 -1.885 17.945 1.00 -0.08 C HETATM 1638 C29 F A 3 15.761 -0.869 18.387 1.00 -0.07 C HETATM 1639 H18 F A 3 15.796 -0.627 19.443 1.00 0.05 H HETATM 1640 H19 F A 3 14.262 -2.381 18.660 1.00 0.05 H HETATM 1641 H20 F A 3 14.248 -3.096 16.275 1.00 0.05 H HETATM 1642 H21 F A 3 15.617 -1.781 14.680 1.00 0.05 H HETATM 1643 H14 F A 3 16.979 1.857 17.968 1.00 0.04 H HETATM 1644 H15 F A 3 17.936 0.647 18.889 1.00 0.04 H HETATM 1645 C33 F A 3 19.624 -0.116 16.875 1.00 -0.01 C HETATM 1646 N35 F A 3 20.995 0.173 17.376 1.00 0.24 N HETATM 1647 C36 F A 3 21.456 1.451 16.804 1.00 -0.01 C HETATM 1648 C37 F A 3 22.892 1.755 17.220 1.00 0.09 C HETATM 1649 O38 F A 3 23.705 0.603 16.840 1.00 -0.37 O HETATM 1650 C39 F A 3 23.311 -0.645 17.506 1.00 0.09 C HETATM 1651 C40 F A 3 21.877 -0.987 17.086 1.00 -0.01 C HETATM 1652 H32 F A 3 21.852 -1.209 16.009 1.00 0.08 H HETATM 1653 H33 F A 3 21.528 -1.865 17.649 1.00 0.08 H HETATM 1654 H30 F A 3 23.357 -0.514 18.597 1.00 0.06 H HETATM 1655 H31 F A 3 23.990 -1.457 17.205 1.00 0.06 H HETATM 1656 H28 F A 3 22.944 1.911 18.308 1.00 0.06 H HETATM 1657 H29 F A 3 23.251 2.657 16.703 1.00 0.06 H HETATM 1658 H26 F A 3 20.801 2.260 17.159 1.00 0.08 H HETATM 1659 H27 F A 3 21.405 1.392 15.707 1.00 0.08 H HETATM 1660 H25 F A 3 20.956 0.283 18.377 1.00 0.20 H HETATM 1661 H22 F A 3 19.687 -0.451 15.829 1.00 0.08 H HETATM 1662 H23 F A 3 19.178 -0.913 17.489 1.00 0.08 H HETATM 1663 H13 F A 3 19.312 2.021 17.241 1.00 0.06 H HETATM 1664 O23 F A 3 18.871 3.390 15.534 1.00 -0.39 O HETATM 1665 H24 F A 3 19.042 1.864 12.500 1.00 0.06 H HETATM 1666 H10 F A 3 14.877 4.407 12.613 1.00 0.05 H HETATM 1667 H9 F A 3 14.786 2.045 15.794 1.00 0.03 H HETATM 1668 C10 F A 3 13.895 3.534 18.260 1.00 0.23 C HETATM 1669 O11 F A 3 14.120 4.194 19.308 1.00 -0.38 O HETATM 1670 N12 F A 3 13.032 2.528 18.276 1.00 -0.18 N HETATM 1671 C41 F A 3 12.510 1.901 17.080 1.00 0.08 C HETATM 1672 C43 F A 3 11.925 2.677 16.080 1.00 -0.04 C HETATM 1673 C44 F A 3 11.456 2.052 14.985 1.00 -0.04 C HETATM 1674 C45 F A 3 11.523 0.704 14.761 1.00 0.07 C HETATM 1675 C46 F A 3 12.094 -0.134 15.723 1.00 -0.04 C HETATM 1676 C47 F A 3 12.612 0.516 16.858 1.00 -0.04 C HETATM 1677 H37 F A 3 13.119 -0.085 17.604 1.00 0.05 H HETATM 1678 H36 F A 3 12.135 -1.210 15.603 1.00 0.05 H HETATM 1679 O53 F A 3 11.077 0.071 13.632 1.00 -0.34 O HETATM 1680 H43 F A 3 10.707 0.712 13.036 1.00 0.24 H HETATM 1681 H35 F A 3 10.989 2.663 14.221 1.00 0.05 H HETATM 1682 H34 F A 3 11.850 3.754 16.182 1.00 0.05 H HETATM 1683 C42 F A 3 12.529 2.046 19.512 1.00 0.09 C HETATM 1684 C48 F A 3 11.164 1.997 19.764 1.00 -0.04 C HETATM 1685 C49 F A 3 10.673 1.498 20.985 1.00 -0.07 C HETATM 1686 C50 F A 3 11.577 1.068 21.980 1.00 -0.08 C HETATM 1687 C51 F A 3 12.916 1.137 21.744 1.00 -0.07 C HETATM 1688 C52 F A 3 13.429 1.612 20.526 1.00 -0.04 C HETATM 1689 H42 F A 3 14.500 1.648 20.360 1.00 0.05 H HETATM 1690 H41 F A 3 13.605 0.817 22.517 1.00 0.06 H HETATM 1691 H40 F A 3 11.208 0.686 22.925 1.00 0.05 H HETATM 1692 H39 F A 3 9.605 1.444 21.160 1.00 0.06 H HETATM 1693 H38 F A 3 10.468 2.348 19.011 1.00 0.05 H HETATM 1694 H5 F A 3 17.473 5.860 14.542 1.00 0.06 H HETATM 1695 H6 F A 3 15.900 6.634 14.149 1.00 0.06 H HETATM 1696 H7 F A 3 17.658 7.010 16.612 1.00 0.03 H HETATM 1697 H8 F A 3 17.050 8.249 15.462 1.00 0.03 H HETATM 1698 H3 F A 3 15.888 8.319 17.647 1.00 0.03 H HETATM 1699 H4 F A 3 14.783 7.966 16.276 1.00 0.03 H HETATM 1700 H1 F A 3 14.039 6.552 17.883 1.00 0.05 H HETATM 1701 H2 F A 3 15.686 6.234 18.526 1.00 0.05 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 304 305 313 314 315 CONECT 313 304 CONECT 314 304 CONECT 315 304 CONECT 1606 1607 1611 1700 1701 CONECT 1607 1606 1608 1698 1699 CONECT 1608 1607 1609 1696 1697 CONECT 1609 1608 1610 1694 1695 CONECT 1610 1609 1611 1614 CONECT 1611 1606 1610 1612 CONECT 1612 1611 1613 1668 CONECT 1613 1612 1614 1667 CONECT 1614 1610 1613 1615 CONECT 1615 1614 1616 1625 CONECT 1616 1615 1617 1666 CONECT 1617 1616 1618 1621 CONECT 1618 1617 1619 1624 CONECT 1619 1618 1620 CONECT 1620 1619 1621 1622 1623 CONECT 1621 1617 1620 CONECT 1622 1620 CONECT 1623 1620 CONECT 1624 1618 1625 1665 CONECT 1625 1615 1624 1626 CONECT 1626 1625 1627 1664 CONECT 1627 1626 1628 1632 CONECT 1628 1627 1629 1645 1663 CONECT 1629 1628 1630 1643 1644 CONECT 1630 1629 1631 1638 CONECT 1631 1630 1632 1635 CONECT 1632 1627 1631 1633 1634 CONECT 1633 1632 CONECT 1634 1632 CONECT 1635 1631 1636 1642 CONECT 1636 1635 1637 1641 CONECT 1637 1636 1638 1640 CONECT 1638 1630 1637 1639 CONECT 1639 1638 CONECT 1640 1637 CONECT 1641 1636 CONECT 1642 1635 CONECT 1643 1629 CONECT 1644 1629 CONECT 1645 1628 1646 1661 1662 CONECT 1646 1645 1647 1651 1660 CONECT 1647 1646 1648 1658 1659 CONECT 1648 1647 1649 1656 1657 CONECT 1649 1648 1650 CONECT 1650 1649 1651 1654 1655 CONECT 1651 1646 1650 1652 1653 CONECT 1652 1651 CONECT 1653 1651 CONECT 1654 1650 CONECT 1655 1650 CONECT 1656 1648 CONECT 1657 1648 CONECT 1658 1647 CONECT 1659 1647 CONECT 1660 1646 CONECT 1661 1645 CONECT 1662 1645 CONECT 1663 1628 CONECT 1664 1626 CONECT 1665 1624 CONECT 1666 1616 CONECT 1667 1613 CONECT 1668 1612 1669 1670 CONECT 1669 1668 CONECT 1670 1668 1671 1683 CONECT 1671 1670 1672 1676 CONECT 1672 1671 1673 1682 CONECT 1673 1672 1674 1681 CONECT 1674 1673 1675 1679 CONECT 1675 1674 1676 1678 CONECT 1676 1671 1675 1677 CONECT 1677 1676 CONECT 1678 1675 CONECT 1679 1674 1680 CONECT 1680 1679 CONECT 1681 1673 CONECT 1682 1672 CONECT 1683 1670 1684 1688 CONECT 1684 1683 1685 1693 CONECT 1685 1684 1686 1692 CONECT 1686 1685 1687 1691 CONECT 1687 1686 1688 1690 CONECT 1688 1683 1687 1689 CONECT 1689 1688 CONECT 1690 1687 CONECT 1691 1686 CONECT 1692 1685 CONECT 1693 1684 CONECT 1694 1609 CONECT 1695 1609 CONECT 1696 1608 CONECT 1697 1608 CONECT 1698 1607 CONECT 1699 1607 CONECT 1700 1606 CONECT 1701 1606 MASTER 0 0 0 0 0 0 0 0 1699 2 104 12 END
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Structure:
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Related entries of code: 6gl8
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
2o22
RCSB PDB
PDBbind
164aa, >2O22_1|Chain... at 94%
2w3l
RCSB PDB
PDBbind
144aa, >2W3L_1|Chains... at 99%
4aq3
RCSB PDB
PDBbind
169aa, >4AQ3_1|Chains... at 90%
4ieh
RCSB PDB
PDBbind
169aa, >4IEH_1|Chain... at 91%
4lvt
RCSB PDB
PDBbind
166aa, >4LVT_1|Chains... at 93%
4lxd
RCSB PDB
PDBbind
166aa, >4LXD_1|Chain... at 93%
4man
RCSB PDB
PDBbind
166aa, >4MAN_1|Chains... at 93%
6o0p
RCSB PDB
PDBbind
166aa, >6O0P_1|Chain... at 92%
6o0o
RCSB PDB
PDBbind
166aa, >6O0O_1|Chains... at 92%
6o0m
RCSB PDB
PDBbind
166aa, >6O0M_1|Chain... at 92%
6o0k
RCSB PDB
PDBbind
166aa, >6O0K_1|Chain... at 93%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
6o0o
RCSB PDB
PDBbind
F3Q
Entry Information
PDB ID
6gl8
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
B-cell Lymphoma 2
Ligand Name
F3Q
EC.Number
E.C.-.-.-.-
Resolution
1.4(Å)
Affinity (Kd/Ki/IC50)
Kd=2.47nM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Oncotarget Vol. 9: pp. 20075-20088
Ligand Properties
Formula
C
4
3
H
4
3
N
4
O
6
Molecular Weight
711.825
Exact Mass
711.318
No. of atoms
96
No. of bonds
104
Polar Surface Area
97.91
LOGP Value
5.79 (
Computed with XLOGP3
)
6.89 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 9
Canonical SMILES
Oc1ccc(cc1)N(C(=O)c1cc(n2c1CCCC2)c1cc2OCOc2cc1C(=O)N1Cc2ccccc2C[C@H]1C[NH+]1CCOCC1)c1ccccc1
InChI String
InChI=1S/C43H42N4O6/c48-34-15-13-32(14-16-34)47(31-10-2-1-3-11-31)43(50)37-23-39(45-17-7-6-12-38(37)45)35-24-40-41(53-28-52-40)25-36(35)42(49)46-26-30-9-5-4-8-29(30)22-33(46)27-44-18-20-51-21-19-44/h1-5,8-11,13-16,23-25,33,48H,6-7,12,17-22,26-28H2/p+1/t33-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
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Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P10415
Entrez Gene ID
NCBI Entrez Gene ID:
596
ASD
Information of known allosteric effects of PDB entries
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