Browse entries in the PDBbind-CN Database
HEADER 6O0K_COMPLEX COMPND 6O0K_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 27 TYR ASP ASN ARG GLU ILE VAL MET LYS TYR ILE HIS TYR SEQRES 2 A 27 LYS LEU SER GLN ARG GLY TYR GLU TRP ASP ALA GLY ASP SEQRES 3 A 27 ASP SEQRES 1 A 114 SER GLU VAL VAL HIS LEU THR LEU ARG GLN ALA GLY ASP SEQRES 2 A 114 ASP PHE SER ARG ARG TYR ARG ARG ASP PHE ALA GLU MET SEQRES 3 A 114 SER SER GLN LEU HIS LEU THR PRO PHE THR ALA ARG GLY SEQRES 4 A 114 ARG PHE ALA THR VAL VAL GLU GLU LEU PHE ARG ASP GLY SEQRES 5 A 114 VAL ASN TRP GLY ARG ILE VAL ALA PHE PHE GLU PHE GLY SEQRES 6 A 114 GLY VAL MET CYS VAL GLU SER VAL ASN ARG GLU MET SER SEQRES 7 A 114 PRO LEU VAL ASP ASN ILE ALA LEU TRP MET THR GLU TYR SEQRES 8 A 114 LEU ASN ARG HIS LEU HIS THR TRP ILE GLN ASP ASN GLY SEQRES 9 A 114 GLY TRP ASP ALA PHE VAL GLU LEU TYR GLY HET LBM A 240 112 ATOM 1 N TYR A 9 2.466 6.750 4.628 1.00 23.72 N ATOM 2 CA TYR A 9 2.199 5.907 3.438 1.00 22.92 C ATOM 3 C TYR A 9 3.165 6.282 2.309 1.00 24.78 C ATOM 4 O TYR A 9 3.638 7.449 2.224 1.00 27.77 O ATOM 5 CB TYR A 9 0.789 6.070 2.920 1.00 28.72 C ATOM 6 CG TYR A 9 -0.204 5.525 3.915 1.00 33.99 C ATOM 7 CD1 TYR A 9 -0.261 4.162 4.171 1.00 38.65 C ATOM 8 CD2 TYR A 9 -1.015 6.367 4.648 1.00 35.61 C ATOM 9 CE1 TYR A 9 -1.130 3.653 5.092 1.00 38.07 C ATOM 10 CE2 TYR A 9 -1.933 5.845 5.560 1.00 39.00 C ATOM 11 CZ TYR A 9 -1.971 4.488 5.757 1.00 36.18 C ATOM 12 OH TYR A 9 -2.851 3.961 6.676 1.00 42.06 O ATOM 13 HH TYR A 9 -2.754 2.976 6.697 1.00 0.00 H ATOM 14 HN3 TYR A 9 2.333 7.751 4.379 1.00 0.00 H ATOM 15 HN2 TYR A 9 3.444 6.598 4.947 1.00 0.00 H ATOM 16 HN1 TYR A 9 1.807 6.491 5.390 1.00 0.00 H ATOM 17 N ASP A 10 3.561 5.285 1.530 1.00 17.94 N ATOM 18 CA ASP A 10 4.578 5.491 0.510 1.00 18.07 C ATOM 19 C ASP A 10 3.957 5.224 -0.855 1.00 15.33 C ATOM 20 O ASP A 10 3.593 4.077 -1.163 1.00 14.49 O ATOM 21 CB ASP A 10 5.725 4.523 0.823 1.00 17.79 C ATOM 22 CG ASP A 10 6.854 4.615 -0.199 1.00 26.11 C ATOM 23 OD1 ASP A 10 6.589 4.674 -1.379 1.00 19.73 O ATOM 24 OD2 ASP A 10 8.007 4.671 0.279 1.00 26.53 O ATOM 25 H ASP A 10 3.139 4.342 1.650 1.00 0.00 H ATOM 26 N ASN A 11 3.742 6.291 -1.645 1.00 15.04 N ATOM 27 CA ASN A 11 3.013 6.085 -2.913 1.00 15.53 C ATOM 28 C ASN A 11 3.803 5.199 -3.888 1.00 12.77 C ATOM 29 O ASN A 11 3.196 4.436 -4.669 1.00 11.74 O ATOM 30 CB ASN A 11 2.761 7.414 -3.618 1.00 14.71 C ATOM 31 CG ASN A 11 1.742 8.254 -2.908 1.00 16.53 C ATOM 32 OD1 ASN A 11 0.824 7.739 -2.277 1.00 19.54 O ATOM 33 ND2 ASN A 11 1.876 9.556 -3.049 1.00 16.13 N ATOM 34 HD22 ASN A 11 2.673 9.941 -3.595 1.00 0.00 H ATOM 35 HD21 ASN A 11 1.184 10.200 -2.615 1.00 0.00 H ATOM 36 H ASN A 11 4.080 7.236 -1.371 1.00 0.00 H ATOM 37 N ARG A 12 5.148 5.209 -3.823 1.00 13.38 N ATOM 38 CA ARG A 12 5.874 4.372 -4.747 1.00 12.82 C ATOM 39 C ARG A 12 5.639 2.904 -4.387 1.00 12.39 C ATOM 40 O ARG A 12 5.456 2.032 -5.271 1.00 12.35 O ATOM 41 CB ARG A 12 7.392 4.715 -4.626 1.00 14.10 C ATOM 42 CG ARG A 12 8.208 3.744 -5.482 1.00 14.05 C ATOM 43 CD ARG A 12 9.708 4.244 -5.400 1.00 17.45 C ATOM 44 NE ARG A 12 10.535 3.466 -6.276 1.00 19.29 N ATOM 45 CZ ARG A 12 11.854 3.656 -6.369 1.00 18.68 C ATOM 46 NH1 ARG A 12 12.439 4.585 -5.622 1.00 19.13 N ATOM 47 NH2 ARG A 12 12.538 2.854 -7.164 1.00 19.83 N ATOM 48 HE ARG A 12 10.092 2.728 -6.860 1.00 0.00 H ATOM 49 HH12 ARG A 12 13.466 4.737 -5.691 1.00 0.00 H ATOM 50 HH11 ARG A 12 11.871 5.161 -4.968 1.00 0.00 H ATOM 51 HH22 ARG A 12 13.567 2.972 -7.262 1.00 0.00 H ATOM 52 HH21 ARG A 12 12.048 2.104 -7.693 1.00 0.00 H ATOM 53 H ARG A 12 5.647 5.801 -3.129 1.00 0.00 H ATOM 54 N GLU A 13 5.602 2.635 -3.081 1.00 13.28 N ATOM 55 CA GLU A 13 5.355 1.281 -2.603 1.00 13.40 C ATOM 56 C GLU A 13 3.966 0.851 -2.968 1.00 12.40 C ATOM 57 O GLU A 13 3.738 -0.307 -3.369 1.00 12.01 O ATOM 58 CB GLU A 13 5.490 1.229 -1.091 1.00 15.02 C ATOM 59 CG GLU A 13 5.255 -0.208 -0.549 1.00 25.40 C ATOM 60 CD GLU A 13 5.161 -0.231 0.973 1.00 35.88 C ATOM 61 OE1 GLU A 13 5.406 -1.305 1.521 1.00 42.44 O ATOM 62 OE2 GLU A 13 4.856 0.808 1.620 1.00 43.23 O ATOM 63 H GLU A 13 5.751 3.402 -2.395 1.00 0.00 H ATOM 64 N ILE A 14 3.005 1.741 -2.800 1.00 12.31 N ATOM 65 CA ILE A 14 1.629 1.391 -3.116 1.00 11.75 C ATOM 66 C ILE A 14 1.488 0.992 -4.583 1.00 10.74 C ATOM 67 O ILE A 14 0.865 -0.008 -4.902 1.00 10.22 O ATOM 68 CB ILE A 14 0.667 2.544 -2.773 1.00 12.20 C ATOM 69 CG1 ILE A 14 0.505 2.654 -1.260 1.00 13.64 C ATOM 70 CG2 ILE A 14 -0.692 2.335 -3.414 1.00 12.97 C ATOM 71 CD1 ILE A 14 -0.062 3.984 -0.819 1.00 17.65 C ATOM 72 H ILE A 14 3.232 2.691 -2.442 1.00 0.00 H ATOM 73 N VAL A 15 2.085 1.781 -5.463 1.00 10.19 N ATOM 74 CA VAL A 15 2.022 1.500 -6.890 1.00 9.41 C ATOM 75 C VAL A 15 2.781 0.215 -7.240 1.00 9.51 C ATOM 76 O VAL A 15 2.287 -0.628 -7.959 1.00 10.33 O ATOM 77 CB VAL A 15 2.579 2.670 -7.725 1.00 9.60 C ATOM 78 CG1 VAL A 15 2.765 2.266 -9.178 1.00 12.40 C ATOM 79 CG2 VAL A 15 1.651 3.868 -7.637 1.00 10.00 C ATOM 80 H VAL A 15 2.608 2.616 -5.129 1.00 0.00 H ATOM 81 N MET A 16 3.989 0.080 -6.718 1.00 9.81 N ATOM 82 CA MET A 16 4.795 -1.097 -7.009 1.00 10.04 C ATOM 83 C MET A 16 4.107 -2.396 -6.596 1.00 13.29 C ATOM 84 O MET A 16 4.053 -3.346 -7.352 1.00 11.67 O ATOM 85 CB MET A 16 6.161 -0.987 -6.332 1.00 12.55 C ATOM 86 CG MET A 16 7.051 -2.199 -6.501 1.00 20.59 C ATOM 87 SD MET A 16 8.551 -2.000 -5.529 1.00 32.61 S ATOM 88 CE MET A 16 7.955 -2.313 -3.876 1.00 38.65 C ATOM 89 H MET A 16 4.366 0.821 -6.094 1.00 0.00 H ATOM 90 N LYS A 17 3.585 -2.431 -5.381 1.00 10.69 N ATOM 91 CA LYS A 17 2.930 -3.639 -4.907 1.00 11.23 C ATOM 92 C LYS A 17 1.668 -3.944 -5.691 1.00 10.46 C ATOM 93 O LYS A 17 1.356 -5.090 -5.970 1.00 10.84 O ATOM 94 CB LYS A 17 2.608 -3.528 -3.420 1.00 13.48 C ATOM 95 CG LYS A 17 3.822 -3.701 -2.525 1.00 17.46 C ATOM 96 CD LYS A 17 3.463 -3.542 -1.062 1.00 23.89 C ATOM 97 CE LYS A 17 4.619 -3.931 -0.166 1.00 38.28 C ATOM 98 NZ LYS A 17 5.245 -5.179 -0.660 1.00 49.74 N ATOM 99 HZ1 LYS A 17 4.539 -5.943 -0.660 1.00 0.00 H ATOM 100 HZ2 LYS A 17 5.596 -5.030 -1.627 1.00 0.00 H ATOM 101 HZ3 LYS A 17 6.037 -5.438 -0.038 1.00 0.00 H ATOM 102 H LYS A 17 3.643 -1.595 -4.765 1.00 0.00 H ATOM 103 N TYR A 18 0.944 -2.899 -6.045 1.00 10.11 N ATOM 104 CA TYR A 18 -0.286 -3.093 -6.771 1.00 9.50 C ATOM 105 C TYR A 18 -0.050 -3.617 -8.185 1.00 10.62 C ATOM 106 O TYR A 18 -0.656 -4.587 -8.596 1.00 11.71 O ATOM 107 CB TYR A 18 -1.111 -1.812 -6.779 1.00 9.39 C ATOM 108 CG TYR A 18 -2.309 -1.957 -7.628 1.00 10.31 C ATOM 109 CD1 TYR A 18 -2.217 -1.696 -8.964 1.00 17.19 C ATOM 110 CD2 TYR A 18 -3.517 -2.384 -7.106 1.00 17.94 C ATOM 111 CE1 TYR A 18 -3.285 -1.836 -9.775 1.00 18.50 C ATOM 112 CE2 TYR A 18 -4.611 -2.526 -7.924 1.00 19.75 C ATOM 113 CZ TYR A 18 -4.453 -2.249 -9.257 1.00 13.78 C ATOM 114 OH TYR A 18 -5.449 -2.348 -10.139 1.00 34.21 O ATOM 115 HH TYR A 18 -5.785 -3.279 -10.152 1.00 0.00 H ATOM 116 H TYR A 18 1.260 -1.939 -5.801 1.00 0.00 H ATOM 117 N ILE A 19 0.908 -3.023 -8.885 1.00 9.49 N ATOM 118 CA ILE A 19 1.206 -3.449 -10.243 1.00 10.17 C ATOM 119 C ILE A 19 1.788 -4.861 -10.249 1.00 10.21 C ATOM 120 O ILE A 19 1.476 -5.658 -11.115 1.00 9.89 O ATOM 121 CB ILE A 19 2.156 -2.466 -10.954 1.00 10.73 C ATOM 122 CG1 ILE A 19 1.441 -1.144 -11.233 1.00 9.93 C ATOM 123 CG2 ILE A 19 2.676 -3.059 -12.250 1.00 13.85 C ATOM 124 CD1 ILE A 19 0.178 -1.273 -12.053 1.00 11.07 C ATOM 125 H ILE A 19 1.451 -2.245 -8.458 1.00 0.00 H ATOM 126 N HIS A 20 2.631 -5.166 -9.272 1.00 9.23 N ATOM 127 CA HIS A 20 3.220 -6.488 -9.194 1.00 11.97 C ATOM 128 C HIS A 20 2.105 -7.522 -9.006 1.00 14.08 C ATOM 129 O HIS A 20 2.082 -8.554 -9.654 1.00 13.06 O ATOM 130 CB HIS A 20 4.217 -6.583 -8.048 1.00 15.01 C ATOM 131 CG HIS A 20 4.592 -7.988 -7.699 1.00 22.55 C ATOM 132 ND1 HIS A 20 5.575 -8.680 -8.368 1.00 24.16 N ATOM 133 CD2 HIS A 20 4.104 -8.837 -6.766 1.00 24.04 C ATOM 134 CE1 HIS A 20 5.687 -9.889 -7.853 1.00 28.11 C ATOM 135 NE2 HIS A 20 4.803 -10.011 -6.882 1.00 27.59 N ATOM 136 H HIS A 20 2.871 -4.451 -8.556 1.00 0.00 H ATOM 137 N TYR A 21 1.176 -7.228 -8.107 1.00 12.41 N ATOM 138 CA TYR A 21 0.057 -8.125 -7.854 1.00 13.05 C ATOM 139 C TYR A 21 -0.769 -8.355 -9.103 1.00 11.89 C ATOM 140 O TYR A 21 -1.039 -9.479 -9.451 1.00 14.50 O ATOM 141 CB TYR A 21 -0.842 -7.569 -6.752 1.00 11.84 C ATOM 142 CG TYR A 21 -2.156 -8.300 -6.579 1.00 14.40 C ATOM 143 CD1 TYR A 21 -2.203 -9.534 -5.959 1.00 19.13 C ATOM 144 CD2 TYR A 21 -3.347 -7.745 -7.018 1.00 12.60 C ATOM 145 CE1 TYR A 21 -3.396 -10.197 -5.786 1.00 19.13 C ATOM 146 CE2 TYR A 21 -4.547 -8.406 -6.850 1.00 15.28 C ATOM 147 CZ TYR A 21 -4.560 -9.632 -6.228 1.00 18.66 C ATOM 148 OH TYR A 21 -5.745 -10.299 -6.051 1.00 20.69 O ATOM 149 HH TYR A 21 -6.355 -9.745 -5.502 1.00 0.00 H ATOM 150 H TYR A 21 1.248 -6.339 -7.572 1.00 0.00 H ATOM 151 N LYS A 22 -1.176 -7.282 -9.768 1.00 10.03 N ATOM 152 CA LYS A 22 -1.981 -7.423 -10.971 1.00 13.18 C ATOM 153 C LYS A 22 -1.245 -8.219 -12.047 1.00 14.55 C ATOM 154 O LYS A 22 -1.865 -8.967 -12.785 1.00 15.05 O ATOM 155 CB LYS A 22 -2.402 -6.064 -11.526 1.00 16.06 C ATOM 156 CG LYS A 22 -3.241 -5.230 -10.576 1.00 20.41 C ATOM 157 CD LYS A 22 -4.371 -6.038 -9.967 1.00 25.25 C ATOM 158 CE LYS A 22 -5.496 -6.204 -10.957 1.00 23.67 C ATOM 159 NZ LYS A 22 -6.776 -6.538 -10.281 1.00 27.90 N ATOM 160 HZ1 LYS A 22 -6.667 -7.429 -9.755 1.00 0.00 H ATOM 161 HZ2 LYS A 22 -7.028 -5.774 -9.622 1.00 0.00 H ATOM 162 HZ3 LYS A 22 -7.526 -6.644 -10.994 1.00 0.00 H ATOM 163 H LYS A 22 -0.918 -6.334 -9.427 1.00 0.00 H ATOM 164 N LEU A 23 -0.012 -7.891 -12.308 1.00 10.69 N ATOM 165 CA LEU A 23 0.684 -8.598 -13.384 1.00 11.17 C ATOM 166 C LEU A 23 0.888 -10.067 -13.019 1.00 13.07 C ATOM 167 O LEU A 23 0.689 -10.955 -13.856 1.00 14.11 O ATOM 168 CB LEU A 23 2.024 -7.918 -13.697 1.00 10.82 C ATOM 169 CG LEU A 23 1.924 -6.832 -14.778 1.00 11.46 C ATOM 170 CD1 LEU A 23 0.877 -5.779 -14.434 1.00 8.97 C ATOM 171 CD2 LEU A 23 3.280 -6.213 -15.066 1.00 9.62 C ATOM 172 H LEU A 23 0.467 -7.144 -11.765 1.00 0.00 H ATOM 173 N SER A 24 1.260 -10.348 -11.759 1.00 13.40 N ATOM 174 CA SER A 24 1.506 -11.743 -11.384 1.00 15.07 C ATOM 175 C SER A 24 0.210 -12.539 -11.378 1.00 15.54 C ATOM 176 O SER A 24 0.204 -13.737 -11.709 1.00 17.05 O ATOM 177 CB SER A 24 2.199 -11.814 -10.026 1.00 19.11 C ATOM 178 OG SER A 24 1.432 -11.147 -9.050 1.00 16.35 O ATOM 179 HG SER A 24 1.324 -10.198 -9.309 1.00 0.00 H ATOM 180 H SER A 24 1.372 -9.586 -11.060 1.00 0.00 H ATOM 181 N GLN A 25 -0.902 -11.886 -11.035 1.00 13.34 N ATOM 182 CA GLN A 25 -2.211 -12.544 -11.061 1.00 18.34 C ATOM 183 C GLN A 25 -2.553 -13.060 -12.464 1.00 16.76 C ATOM 184 O GLN A 25 -3.270 -14.050 -12.618 1.00 20.14 O ATOM 185 CB GLN A 25 -3.263 -11.492 -10.594 1.00 21.03 C ATOM 186 CG GLN A 25 -4.695 -11.903 -10.496 1.00 31.62 C ATOM 187 CD GLN A 25 -5.571 -10.687 -10.072 1.00 29.80 C ATOM 188 OE1 GLN A 25 -5.630 -9.663 -10.779 1.00 28.91 O ATOM 189 NE2 GLN A 25 -6.231 -10.803 -8.951 1.00 29.92 N ATOM 190 HE22 GLN A 25 -6.154 -11.675 -8.390 1.00 0.00 H ATOM 191 HE21 GLN A 25 -6.833 -10.023 -8.619 1.00 0.00 H ATOM 192 H GLN A 25 -0.838 -10.890 -10.743 1.00 0.00 H ATOM 193 N ARG A 26 -2.071 -12.377 -13.511 1.00 14.38 N ATOM 194 CA ARG A 26 -2.380 -12.719 -14.884 1.00 14.41 C ATOM 195 C ARG A 26 -1.172 -13.299 -15.604 1.00 14.31 C ATOM 196 O ARG A 26 -1.248 -13.539 -16.814 1.00 14.84 O ATOM 197 CB ARG A 26 -2.890 -11.474 -15.625 1.00 18.52 C ATOM 198 CG ARG A 26 -4.294 -11.035 -15.108 1.00 20.73 C ATOM 199 CD ARG A 26 -4.612 -9.607 -15.775 1.00 22.14 C ATOM 200 NE ARG A 26 -5.074 -9.825 -17.131 1.00 23.69 N ATOM 201 CZ ARG A 26 -5.367 -8.811 -17.969 1.00 24.54 C ATOM 202 NH1 ARG A 26 -5.709 -9.067 -19.236 1.00 23.38 N ATOM 203 NH2 ARG A 26 -5.364 -7.524 -17.555 1.00 22.99 N ATOM 204 HE ARG A 26 -5.184 -10.802 -17.471 1.00 0.00 H ATOM 205 HH12 ARG A 26 -5.935 -8.284 -19.882 1.00 0.00 H ATOM 206 HH11 ARG A 26 -5.749 -10.049 -19.575 1.00 0.00 H ATOM 207 HH22 ARG A 26 -5.594 -6.762 -18.224 1.00 0.00 H ATOM 208 HH21 ARG A 26 -5.131 -7.296 -16.567 1.00 0.00 H ATOM 209 H ARG A 26 -1.447 -11.565 -13.330 1.00 0.00 H ATOM 210 N GLY A 27 -0.136 -13.684 -14.877 1.00 14.56 N ATOM 211 CA GLY A 27 0.939 -14.470 -15.510 1.00 15.53 C ATOM 212 C GLY A 27 2.040 -13.641 -16.135 1.00 14.83 C ATOM 213 O GLY A 27 2.876 -14.214 -16.845 1.00 15.85 O ATOM 214 H GLY A 27 -0.080 -13.435 -13.869 1.00 0.00 H ATOM 215 N TYR A 28 2.023 -12.315 -15.908 1.00 14.58 N ATOM 216 CA TYR A 28 3.004 -11.401 -16.473 1.00 13.52 C ATOM 217 C TYR A 28 4.107 -11.181 -15.464 1.00 16.02 C ATOM 218 O TYR A 28 3.905 -11.345 -14.268 1.00 17.78 O ATOM 219 CB TYR A 28 2.366 -10.049 -16.814 1.00 13.13 C ATOM 220 CG TYR A 28 1.364 -10.206 -17.947 1.00 12.31 C ATOM 221 CD1 TYR A 28 0.049 -10.573 -17.678 1.00 12.38 C ATOM 222 CD2 TYR A 28 1.739 -9.989 -19.276 1.00 12.99 C ATOM 223 CE1 TYR A 28 -0.849 -10.709 -18.707 1.00 13.81 C ATOM 224 CE2 TYR A 28 0.805 -10.094 -20.319 1.00 13.70 C ATOM 225 CZ TYR A 28 -0.464 -10.442 -20.009 1.00 13.72 C ATOM 226 OH TYR A 28 -1.332 -10.612 -21.046 1.00 14.79 O ATOM 227 HH TYR A 28 -2.222 -10.863 -20.692 1.00 0.00 H ATOM 228 H TYR A 28 1.274 -11.925 -15.301 1.00 0.00 H ATOM 229 N GLU A 29 5.249 -10.765 -15.950 1.00 18.44 N ATOM 230 CA GLU A 29 6.442 -10.536 -15.143 1.00 23.48 C ATOM 231 C GLU A 29 6.781 -9.050 -15.162 1.00 21.76 C ATOM 232 O GLU A 29 6.419 -8.312 -16.108 1.00 20.93 O ATOM 233 CB GLU A 29 7.633 -11.322 -15.691 1.00 23.34 C ATOM 234 CG GLU A 29 7.484 -12.835 -15.487 1.00 40.49 C ATOM 235 CD GLU A 29 8.591 -13.636 -16.138 1.00 57.45 C ATOM 236 OE1 GLU A 29 9.693 -13.069 -16.384 1.00 63.59 O ATOM 237 OE2 GLU A 29 8.361 -14.839 -16.425 1.00 64.49 O ATOM 238 H GLU A 29 5.309 -10.587 -16.973 1.00 0.00 H ATOM 239 N TRP A 30 7.335 -8.585 -14.049 1.00 14.53 N ATOM 240 CA TRP A 30 7.836 -7.180 -13.987 1.00 14.62 C ATOM 241 C TRP A 30 9.051 -7.224 -13.088 1.00 18.81 C ATOM 242 O TRP A 30 8.888 -7.320 -11.867 1.00 18.79 O ATOM 243 CB TRP A 30 6.794 -6.227 -13.411 1.00 14.48 C ATOM 244 CG TRP A 30 7.304 -4.819 -13.304 1.00 13.72 C ATOM 245 CD1 TRP A 30 8.201 -4.208 -14.114 1.00 15.10 C ATOM 246 CD2 TRP A 30 6.977 -3.879 -12.281 1.00 12.89 C ATOM 247 NE1 TRP A 30 8.447 -2.911 -13.687 1.00 14.37 N ATOM 248 CE2 TRP A 30 7.640 -2.687 -12.598 1.00 12.39 C ATOM 249 CE3 TRP A 30 6.094 -3.903 -11.213 1.00 13.72 C ATOM 250 CZ2 TRP A 30 7.567 -1.527 -11.782 1.00 16.20 C ATOM 251 CZ3 TRP A 30 6.011 -2.771 -10.401 1.00 15.36 C ATOM 252 CH2 TRP A 30 6.698 -1.606 -10.702 1.00 16.03 C ATOM 253 HE1 TRP A 30 9.115 -2.236 -14.111 1.00 0.00 H ATOM 254 H TRP A 30 7.420 -9.202 -13.216 1.00 0.00 H ATOM 255 N ASP A 31 10.238 -7.118 -13.704 1.00 17.97 N ATOM 256 CA ASP A 31 11.485 -7.349 -12.974 1.00 20.32 C ATOM 257 C ASP A 31 11.597 -6.377 -11.801 1.00 18.77 C ATOM 258 O ASP A 31 11.999 -6.741 -10.685 1.00 19.23 O ATOM 259 CB ASP A 31 12.684 -7.146 -13.924 1.00 24.54 C ATOM 260 CG ASP A 31 12.731 -8.124 -15.111 1.00 36.22 C ATOM 261 OD1 ASP A 31 12.282 -9.288 -14.938 1.00 37.51 O ATOM 262 OD2 ASP A 31 13.206 -7.706 -16.205 1.00 32.12 O ATOM 263 H ASP A 31 10.272 -6.869 -14.713 1.00 0.00 H ATOM 264 N ALA A 32 11.237 -5.140 -12.035 1.00 15.53 N ATOM 265 CA ALA A 32 11.530 -4.139 -11.017 1.00 17.28 C ATOM 266 C ALA A 32 10.573 -4.237 -9.847 1.00 19.98 C ATOM 267 O ALA A 32 10.842 -3.657 -8.791 1.00 25.63 O ATOM 268 CB ALA A 32 11.439 -2.715 -11.604 1.00 17.39 C ATOM 269 H ALA A 32 10.757 -4.880 -12.920 1.00 0.00 H ATOM 270 N GLY A 33 9.478 -4.968 -10.003 1.00 13.62 N ATOM 271 CA GLY A 33 8.486 -5.109 -8.953 1.00 25.58 C ATOM 272 C GLY A 33 8.595 -6.372 -8.136 1.00 31.83 C ATOM 273 O GLY A 33 7.799 -6.550 -7.198 1.00 35.86 O ATOM 274 H GLY A 33 9.325 -5.457 -10.908 1.00 0.00 H ATOM 275 N ASP A 34 9.526 -7.264 -8.461 1.00 32.87 N ATOM 276 CA ASP A 34 9.734 -8.459 -7.627 1.00 49.43 C ATOM 277 C ASP A 34 10.059 -8.102 -6.174 1.00 57.51 C ATOM 278 O ASP A 34 10.865 -7.206 -5.900 1.00 60.94 O ATOM 279 CB ASP A 34 10.855 -9.320 -8.195 1.00 58.10 C ATOM 280 CG ASP A 34 10.387 -10.174 -9.347 1.00 64.70 C ATOM 281 OD1 ASP A 34 9.226 -9.986 -9.785 1.00 64.18 O ATOM 282 OD2 ASP A 34 11.170 -11.037 -9.806 1.00 69.51 O ATOM 283 H ASP A 34 10.110 -7.117 -9.309 1.00 0.00 H ATOM 284 N ASP A 35 9.445 -8.829 -5.234 1.00 57.12 N ATOM 285 CA ASP A 35 9.642 -8.555 -3.821 1.00 58.55 C ATOM 286 C ASP A 35 9.630 -9.840 -3.010 1.00 65.42 C ATOM 287 O ASP A 35 10.259 -10.840 -3.388 1.00 73.11 O ATOM 288 CB ASP A 35 8.565 -7.591 -3.325 1.00 55.10 C ATOM 289 H ASP A 35 8.815 -9.605 -5.520 1.00 0.00 H TER 290 ASP A 35 ATOM 291 N SER A 90 0.524 -0.884 7.341 1.00 77.88 N ATOM 292 CA SER A 90 0.786 -0.503 5.966 1.00 77.61 C ATOM 293 C SER A 90 0.318 -1.603 5.014 1.00 73.99 C ATOM 294 O SER A 90 -0.234 -1.317 3.948 1.00 77.72 O ATOM 295 CB SER A 90 2.276 -0.217 5.750 1.00 82.22 C ATOM 296 OG SER A 90 2.513 0.299 4.441 1.00 82.17 O ATOM 297 HG SER A 90 3.481 0.475 4.327 1.00 0.00 H ATOM 298 HN3 SER A 90 1.035 -1.763 7.559 1.00 0.00 H ATOM 299 HN2 SER A 90 -0.497 -1.034 7.469 1.00 0.00 H ATOM 300 HN1 SER A 90 0.847 -0.127 7.977 1.00 0.00 H ATOM 301 N GLU A 91 0.545 -2.866 5.387 1.00 68.31 N ATOM 302 CA GLU A 91 0.074 -3.956 4.543 1.00 58.12 C ATOM 303 C GLU A 91 -1.420 -3.863 4.303 1.00 43.09 C ATOM 304 O GLU A 91 -1.907 -4.343 3.264 1.00 34.76 O ATOM 305 CB GLU A 91 0.419 -5.309 5.166 1.00 69.69 C ATOM 306 CG GLU A 91 1.826 -5.795 4.853 1.00 79.64 C ATOM 307 CD GLU A 91 2.191 -5.614 3.383 1.00 83.78 C ATOM 308 OE1 GLU A 91 3.038 -4.738 3.089 1.00 86.28 O ATOM 309 OE2 GLU A 91 1.628 -6.339 2.523 1.00 83.11 O ATOM 310 H GLU A 91 1.053 -3.069 6.271 1.00 0.00 H ATOM 311 N VAL A 92 -2.163 -3.275 5.260 1.00 34.69 N ATOM 312 CA VAL A 92 -3.618 -3.257 5.156 1.00 25.41 C ATOM 313 C VAL A 92 -4.057 -2.429 3.950 1.00 22.68 C ATOM 314 O VAL A 92 -5.033 -2.778 3.249 1.00 21.56 O ATOM 315 CB VAL A 92 -4.245 -2.754 6.477 1.00 28.92 C ATOM 316 CG1 VAL A 92 -5.745 -2.839 6.351 1.00 26.63 C ATOM 317 CG2 VAL A 92 -3.786 -3.588 7.601 1.00 36.31 C ATOM 318 H VAL A 92 -1.697 -2.832 6.077 1.00 0.00 H ATOM 319 N VAL A 93 -3.331 -1.348 3.660 1.00 21.73 N ATOM 320 CA VAL A 93 -3.697 -0.513 2.521 1.00 19.55 C ATOM 321 C VAL A 93 -3.509 -1.288 1.224 1.00 18.03 C ATOM 322 O VAL A 93 -4.320 -1.195 0.309 1.00 16.20 O ATOM 323 CB VAL A 93 -2.887 0.797 2.508 1.00 20.28 C ATOM 324 CG1 VAL A 93 -3.067 1.565 1.211 1.00 18.49 C ATOM 325 CG2 VAL A 93 -3.270 1.633 3.708 1.00 21.86 C ATOM 326 H VAL A 93 -2.507 -1.101 4.244 1.00 0.00 H ATOM 327 N HIS A 94 -2.446 -2.085 1.146 1.00 19.17 N ATOM 328 CA HIS A 94 -2.183 -2.808 -0.089 1.00 18.19 C ATOM 329 C HIS A 94 -3.241 -3.862 -0.287 1.00 17.39 C ATOM 330 O HIS A 94 -3.682 -4.084 -1.401 1.00 15.90 O ATOM 331 CB HIS A 94 -0.776 -3.464 -0.034 1.00 20.24 C ATOM 332 CG HIS A 94 0.314 -2.475 0.247 1.00 21.62 C ATOM 333 ND1 HIS A 94 0.524 -1.391 -0.572 1.00 20.66 N ATOM 334 CD2 HIS A 94 1.191 -2.342 1.285 1.00 24.20 C ATOM 335 CE1 HIS A 94 1.525 -0.653 -0.084 1.00 22.61 C ATOM 336 NE2 HIS A 94 1.942 -1.206 1.049 1.00 32.91 N ATOM 337 H HIS A 94 -1.809 -2.190 1.961 1.00 0.00 H ATOM 338 N LEU A 95 -3.622 -4.560 0.788 1.00 18.76 N ATOM 339 CA LEU A 95 -4.632 -5.606 0.681 1.00 18.53 C ATOM 340 C LEU A 95 -5.964 -4.953 0.301 1.00 16.66 C ATOM 341 O LEU A 95 -6.674 -5.428 -0.573 1.00 15.60 O ATOM 342 CB LEU A 95 -4.723 -6.327 2.048 1.00 20.95 C ATOM 343 CG LEU A 95 -5.878 -7.343 2.131 1.00 30.97 C ATOM 344 CD1 LEU A 95 -5.723 -8.476 1.144 1.00 37.04 C ATOM 345 CD2 LEU A 95 -5.937 -7.904 3.593 1.00 40.74 C ATOM 346 H LEU A 95 -3.192 -4.354 1.712 1.00 0.00 H ATOM 347 N THR A 96 -6.302 -3.837 0.944 1.00 16.59 N ATOM 348 CA THR A 96 -7.581 -3.196 0.658 1.00 15.36 C ATOM 349 C THR A 96 -7.649 -2.697 -0.769 1.00 14.15 C ATOM 350 O THR A 96 -8.652 -2.889 -1.476 1.00 13.61 O ATOM 351 CB THR A 96 -7.778 -2.001 1.595 1.00 16.10 C ATOM 352 OG1 THR A 96 -7.736 -2.517 2.945 1.00 19.13 O ATOM 353 CG2 THR A 96 -9.204 -1.373 1.314 1.00 18.28 C ATOM 354 HG1 THR A 96 -6.860 -2.949 3.105 1.00 0.00 H ATOM 355 H THR A 96 -5.657 -3.424 1.647 1.00 0.00 H ATOM 356 N LEU A 97 -6.574 -2.091 -1.236 1.00 13.28 N ATOM 357 CA LEU A 97 -6.568 -1.583 -2.595 1.00 13.93 C ATOM 358 C LEU A 97 -6.713 -2.698 -3.634 1.00 14.34 C ATOM 359 O LEU A 97 -7.489 -2.588 -4.568 1.00 13.58 O ATOM 360 CB LEU A 97 -5.302 -0.772 -2.848 1.00 15.82 C ATOM 361 CG LEU A 97 -5.152 -0.083 -4.198 1.00 19.15 C ATOM 362 CD1 LEU A 97 -6.229 0.962 -4.398 1.00 15.71 C ATOM 363 CD2 LEU A 97 -3.778 0.560 -4.278 1.00 18.73 C ATOM 364 H LEU A 97 -5.735 -1.978 -0.633 1.00 0.00 H ATOM 365 N ARG A 98 -5.970 -3.777 -3.472 1.00 12.75 N ATOM 366 CA ARG A 98 -6.072 -4.841 -4.459 1.00 18.51 C ATOM 367 C ARG A 98 -7.424 -5.550 -4.409 1.00 16.25 C ATOM 368 O ARG A 98 -7.932 -5.974 -5.430 1.00 17.17 O ATOM 369 CB ARG A 98 -4.880 -5.790 -4.411 1.00 23.22 C ATOM 370 CG ARG A 98 -4.899 -6.779 -3.278 1.00 16.33 C ATOM 371 CD ARG A 98 -3.515 -7.380 -3.101 1.00 19.01 C ATOM 372 NE ARG A 98 -3.580 -8.616 -2.346 1.00 23.67 N ATOM 373 CZ ARG A 98 -2.535 -9.391 -2.085 1.00 39.27 C ATOM 374 NH1 ARG A 98 -1.328 -9.061 -2.524 1.00 41.12 N ATOM 375 NH2 ARG A 98 -2.704 -10.502 -1.390 1.00 47.01 N ATOM 376 HE ARG A 98 -4.508 -8.915 -1.985 1.00 0.00 H ATOM 377 HH12 ARG A 98 -0.514 -9.673 -2.316 1.00 0.00 H ATOM 378 HH11 ARG A 98 -1.196 -8.190 -3.077 1.00 0.00 H ATOM 379 HH22 ARG A 98 -1.889 -11.114 -1.182 1.00 0.00 H ATOM 380 HH21 ARG A 98 -3.652 -10.764 -1.051 1.00 0.00 H ATOM 381 H ARG A 98 -5.328 -3.864 -2.659 1.00 0.00 H ATOM 382 N GLN A 99 -8.002 -5.688 -3.226 1.00 12.72 N ATOM 383 CA GLN A 99 -9.346 -6.266 -3.177 1.00 13.57 C ATOM 384 C GLN A 99 -10.347 -5.336 -3.862 1.00 12.65 C ATOM 385 O GLN A 99 -11.279 -5.822 -4.502 1.00 14.28 O ATOM 386 CB GLN A 99 -9.769 -6.561 -1.741 1.00 15.80 C ATOM 387 CG GLN A 99 -8.951 -7.818 -1.183 1.00 26.45 C ATOM 388 CD GLN A 99 -9.258 -8.145 0.254 1.00 45.49 C ATOM 389 OE1 GLN A 99 -9.806 -7.309 1.005 1.00 48.66 O ATOM 390 NE2 GLN A 99 -8.885 -9.355 0.665 1.00 51.58 N ATOM 391 HE22 GLN A 99 -8.433 -10.014 -0.001 1.00 0.00 H ATOM 392 HE21 GLN A 99 -9.046 -9.642 1.652 1.00 0.00 H ATOM 393 H GLN A 99 -7.515 -5.394 -2.356 1.00 0.00 H ATOM 394 N ALA A 100 -10.275 -4.033 -3.555 1.00 11.14 N ATOM 395 CA ALA A 100 -11.186 -3.076 -4.205 1.00 11.00 C ATOM 396 C ALA A 100 -11.019 -3.154 -5.729 1.00 12.84 C ATOM 397 O ALA A 100 -12.014 -3.070 -6.484 1.00 12.67 O ATOM 398 CB ALA A 100 -10.939 -1.640 -3.681 1.00 12.89 C ATOM 399 H ALA A 100 -9.578 -3.699 -2.860 1.00 0.00 H ATOM 400 N GLY A 101 -9.768 -3.212 -6.192 1.00 11.34 N ATOM 401 CA GLY A 101 -9.569 -3.222 -7.637 1.00 10.50 C ATOM 402 C GLY A 101 -10.080 -4.502 -8.256 1.00 11.05 C ATOM 403 O GLY A 101 -10.625 -4.466 -9.363 1.00 12.25 O ATOM 404 H GLY A 101 -8.958 -3.249 -5.541 1.00 0.00 H ATOM 405 N ASP A 102 -9.885 -5.636 -7.593 1.00 10.98 N ATOM 406 CA ASP A 102 -10.463 -6.886 -8.110 1.00 11.28 C ATOM 407 C ASP A 102 -11.957 -6.726 -8.199 1.00 13.58 C ATOM 408 O ASP A 102 -12.573 -7.206 -9.162 1.00 15.64 O ATOM 409 CB ASP A 102 -10.099 -8.082 -7.201 1.00 16.16 C ATOM 410 CG ASP A 102 -8.644 -8.525 -7.361 1.00 21.67 C ATOM 411 OD1 ASP A 102 -8.014 -8.191 -8.409 1.00 21.46 O ATOM 412 OD2 ASP A 102 -8.116 -9.259 -6.460 1.00 19.52 O ATOM 413 H ASP A 102 -9.328 -5.640 -6.715 1.00 0.00 H ATOM 414 N ASP A 103 -12.586 -6.156 -7.155 1.00 12.27 N ATOM 415 CA ASP A 103 -14.072 -6.006 -7.173 1.00 12.28 C ATOM 416 C ASP A 103 -14.522 -5.053 -8.284 1.00 12.37 C ATOM 417 O ASP A 103 -15.487 -5.326 -9.023 1.00 13.33 O ATOM 418 CB ASP A 103 -14.517 -5.479 -5.822 1.00 13.74 C ATOM 419 CG ASP A 103 -16.016 -5.312 -5.729 1.00 17.67 C ATOM 420 OD1 ASP A 103 -16.688 -6.381 -5.601 1.00 16.04 O ATOM 421 OD2 ASP A 103 -16.473 -4.166 -5.766 1.00 17.33 O ATOM 422 H ASP A 103 -12.038 -5.820 -6.337 1.00 0.00 H ATOM 423 N PHE A 104 -13.772 -3.959 -8.482 1.00 9.92 N ATOM 424 CA PHE A 104 -14.101 -3.011 -9.543 1.00 9.74 C ATOM 425 C PHE A 104 -14.066 -3.699 -10.896 1.00 13.49 C ATOM 426 O PHE A 104 -14.966 -3.525 -11.741 1.00 12.84 O ATOM 427 CB PHE A 104 -13.044 -1.874 -9.522 1.00 10.20 C ATOM 428 CG PHE A 104 -13.176 -0.929 -10.701 1.00 10.57 C ATOM 429 CD1 PHE A 104 -14.001 0.195 -10.657 1.00 13.59 C ATOM 430 CD2 PHE A 104 -12.414 -1.192 -11.874 1.00 10.79 C ATOM 431 CE1 PHE A 104 -14.096 1.066 -11.765 1.00 12.60 C ATOM 432 CE2 PHE A 104 -12.529 -0.361 -13.021 1.00 12.75 C ATOM 433 CZ PHE A 104 -13.398 0.779 -12.922 1.00 12.13 C ATOM 434 H PHE A 104 -12.947 -3.784 -7.873 1.00 0.00 H ATOM 435 N SER A 105 -13.012 -4.459 -11.150 1.00 12.98 N ATOM 436 CA SER A 105 -12.897 -5.040 -12.480 1.00 14.54 C ATOM 437 C SER A 105 -13.858 -6.205 -12.705 1.00 16.85 C ATOM 438 O SER A 105 -14.049 -6.618 -13.860 1.00 17.05 O ATOM 439 CB SER A 105 -11.444 -5.456 -12.721 1.00 14.82 C ATOM 440 OG SER A 105 -10.682 -4.246 -12.739 1.00 13.97 O ATOM 441 HG SER A 105 -9.728 -4.461 -12.893 1.00 0.00 H ATOM 442 H SER A 105 -12.290 -4.635 -10.423 1.00 0.00 H ATOM 443 N ARG A 106 -14.463 -6.751 -11.640 1.00 12.05 N ATOM 444 CA ARG A 106 -15.586 -7.675 -11.807 1.00 13.61 C ATOM 445 C ARG A 106 -16.870 -6.904 -12.133 1.00 14.14 C ATOM 446 O ARG A 106 -17.669 -7.346 -12.991 1.00 15.59 O ATOM 447 CB ARG A 106 -15.782 -8.490 -10.522 1.00 16.28 C ATOM 448 CG ARG A 106 -14.730 -9.562 -10.289 1.00 22.59 C ATOM 449 CD ARG A 106 -15.087 -10.350 -9.012 1.00 31.64 C ATOM 450 NE ARG A 106 -14.033 -10.245 -7.988 1.00 45.40 N ATOM 451 CZ ARG A 106 -14.211 -9.665 -6.802 1.00 50.55 C ATOM 452 NH1 ARG A 106 -15.405 -9.136 -6.469 1.00 52.59 N ATOM 453 NH2 ARG A 106 -13.210 -9.616 -5.943 1.00 50.28 N ATOM 454 HE ARG A 106 -13.098 -10.646 -8.203 1.00 0.00 H ATOM 455 HH12 ARG A 106 -15.533 -8.685 -5.540 1.00 0.00 H ATOM 456 HH11 ARG A 106 -16.198 -9.178 -7.141 1.00 0.00 H ATOM 457 HH22 ARG A 106 -13.342 -9.165 -5.015 1.00 0.00 H ATOM 458 HH21 ARG A 106 -12.289 -10.029 -6.194 1.00 0.00 H ATOM 459 H ARG A 106 -14.130 -6.515 -10.683 1.00 0.00 H ATOM 460 N ARG A 107 -17.104 -5.803 -11.443 1.00 13.45 N ATOM 461 CA ARG A 107 -18.315 -5.033 -11.682 1.00 14.41 C ATOM 462 C ARG A 107 -18.326 -4.301 -13.022 1.00 14.98 C ATOM 463 O ARG A 107 -19.369 -4.121 -13.621 1.00 16.81 O ATOM 464 CB ARG A 107 -18.534 -4.034 -10.545 1.00 14.01 C ATOM 465 CG ARG A 107 -18.818 -4.695 -9.215 1.00 14.56 C ATOM 466 CD ARG A 107 -19.156 -3.693 -8.129 1.00 16.20 C ATOM 467 NE ARG A 107 -19.064 -4.339 -6.833 1.00 20.34 N ATOM 468 CZ ARG A 107 -20.034 -5.057 -6.283 1.00 21.64 C ATOM 469 NH1 ARG A 107 -21.197 -5.193 -6.894 1.00 18.99 N ATOM 470 NH2 ARG A 107 -19.838 -5.625 -5.110 1.00 32.80 N ATOM 471 HE ARG A 107 -18.178 -4.232 -6.299 1.00 0.00 H ATOM 472 HH12 ARG A 107 -21.952 -5.758 -6.455 1.00 0.00 H ATOM 473 HH11 ARG A 107 -21.358 -4.735 -7.814 1.00 0.00 H ATOM 474 HH22 ARG A 107 -20.594 -6.189 -4.673 1.00 0.00 H ATOM 475 HH21 ARG A 107 -18.927 -5.509 -4.622 1.00 0.00 H ATOM 476 H ARG A 107 -16.421 -5.485 -10.726 1.00 0.00 H ATOM 477 N TYR A 108 -17.152 -3.905 -13.496 1.00 13.35 N ATOM 478 CA TYR A 108 -17.048 -3.124 -14.741 1.00 13.76 C ATOM 479 C TYR A 108 -16.198 -3.914 -15.750 1.00 15.30 C ATOM 480 O TYR A 108 -15.365 -3.361 -16.470 1.00 13.61 O ATOM 481 CB TYR A 108 -16.507 -1.697 -14.450 1.00 12.96 C ATOM 482 CG TYR A 108 -17.525 -0.986 -13.604 1.00 13.85 C ATOM 483 CD1 TYR A 108 -18.705 -0.544 -14.158 1.00 15.32 C ATOM 484 CD2 TYR A 108 -17.363 -0.887 -12.222 1.00 12.79 C ATOM 485 CE1 TYR A 108 -19.745 0.010 -13.342 1.00 16.39 C ATOM 486 CE2 TYR A 108 -18.378 -0.369 -11.392 1.00 13.77 C ATOM 487 CZ TYR A 108 -19.523 0.123 -11.957 1.00 15.53 C ATOM 488 OH TYR A 108 -20.588 0.615 -11.244 1.00 17.02 O ATOM 489 HH TYR A 108 -21.295 0.911 -11.871 1.00 0.00 H ATOM 490 H TYR A 108 -16.285 -4.151 -12.977 1.00 0.00 H ATOM 491 N ARG A 109 -16.422 -5.235 -15.772 1.00 15.01 N ATOM 492 CA ARG A 109 -15.615 -6.102 -16.643 1.00 15.05 C ATOM 493 C ARG A 109 -15.779 -5.720 -18.129 1.00 18.15 C ATOM 494 O ARG A 109 -14.821 -5.833 -18.916 1.00 16.53 O ATOM 495 CB ARG A 109 -16.017 -7.570 -16.433 1.00 19.19 C ATOM 496 CG ARG A 109 -17.433 -7.816 -16.706 1.00 25.84 C ATOM 497 CD ARG A 109 -17.755 -9.343 -16.875 1.00 43.80 C ATOM 498 NE ARG A 109 -19.132 -9.525 -17.396 1.00 53.73 N ATOM 499 CZ ARG A 109 -19.446 -9.712 -18.686 1.00 57.47 C ATOM 500 NH1 ARG A 109 -18.493 -9.771 -19.619 1.00 57.29 N ATOM 501 NH2 ARG A 109 -20.710 -9.869 -19.042 1.00 59.84 N ATOM 502 HE ARG A 109 -19.913 -9.506 -16.709 1.00 0.00 H ATOM 503 HH12 ARG A 109 -18.750 -9.916 -20.616 1.00 0.00 H ATOM 504 HH11 ARG A 109 -17.494 -9.671 -19.349 1.00 0.00 H ATOM 505 HH22 ARG A 109 -20.954 -10.014 -20.042 1.00 0.00 H ATOM 506 HH21 ARG A 109 -21.460 -9.847 -18.322 1.00 0.00 H ATOM 507 H ARG A 109 -17.166 -5.647 -15.173 1.00 0.00 H ATOM 508 N ARG A 110 -16.969 -5.266 -18.557 1.00 17.62 N ATOM 509 CA ARG A 110 -17.094 -4.842 -19.951 1.00 19.20 C ATOM 510 C ARG A 110 -16.191 -3.641 -20.283 1.00 18.77 C ATOM 511 O ARG A 110 -15.575 -3.591 -21.372 1.00 19.40 O ATOM 512 CB ARG A 110 -18.559 -4.533 -20.287 1.00 21.14 C ATOM 513 CG ARG A 110 -19.392 -5.751 -20.364 1.00 29.00 C ATOM 514 CD ARG A 110 -20.761 -5.422 -20.999 1.00 36.46 C ATOM 515 NE ARG A 110 -21.609 -6.622 -21.143 1.00 46.10 N ATOM 516 CZ ARG A 110 -22.211 -7.202 -20.109 1.00 46.54 C ATOM 517 NH1 ARG A 110 -22.071 -6.679 -18.891 1.00 46.38 N ATOM 518 NH2 ARG A 110 -22.944 -8.286 -20.285 1.00 49.00 N ATOM 519 HE ARG A 110 -21.741 -7.030 -22.091 1.00 0.00 H ATOM 520 HH12 ARG A 110 -22.538 -7.126 -18.076 1.00 0.00 H ATOM 521 HH11 ARG A 110 -21.495 -5.824 -18.755 1.00 0.00 H ATOM 522 HH22 ARG A 110 -23.412 -8.735 -19.472 1.00 0.00 H ATOM 523 HH21 ARG A 110 -23.053 -8.691 -21.237 1.00 0.00 H ATOM 524 H ARG A 110 -17.783 -5.217 -17.911 1.00 0.00 H ATOM 525 N ASP A 111 -16.114 -2.671 -19.364 1.00 17.09 N ATOM 526 CA ASP A 111 -15.255 -1.496 -19.533 1.00 16.94 C ATOM 527 C ASP A 111 -13.813 -1.924 -19.523 1.00 15.62 C ATOM 528 O ASP A 111 -12.985 -1.383 -20.268 1.00 16.18 O ATOM 529 CB ASP A 111 -15.492 -0.501 -18.390 1.00 18.29 C ATOM 530 CG ASP A 111 -16.855 0.261 -18.565 1.00 31.84 C ATOM 531 OD1 ASP A 111 -17.163 0.715 -19.689 1.00 35.48 O ATOM 532 OD2 ASP A 111 -17.622 0.355 -17.603 1.00 32.22 O ATOM 533 H ASP A 111 -16.685 -2.754 -18.498 1.00 0.00 H ATOM 534 N PHE A 112 -13.497 -2.899 -18.673 1.00 16.68 N ATOM 535 CA PHE A 112 -12.139 -3.432 -18.586 1.00 16.53 C ATOM 536 C PHE A 112 -11.758 -4.094 -19.895 1.00 16.99 C ATOM 537 O PHE A 112 -10.675 -3.826 -20.477 1.00 19.46 O ATOM 538 CB PHE A 112 -12.086 -4.436 -17.402 1.00 14.31 C ATOM 539 CG PHE A 112 -10.719 -4.931 -17.077 1.00 17.89 C ATOM 540 CD1 PHE A 112 -10.061 -4.458 -15.943 1.00 17.51 C ATOM 541 CD2 PHE A 112 -10.195 -5.954 -17.818 1.00 26.03 C ATOM 542 CE1 PHE A 112 -8.836 -4.987 -15.588 1.00 20.90 C ATOM 543 CE2 PHE A 112 -8.906 -6.449 -17.480 1.00 25.91 C ATOM 544 CZ PHE A 112 -8.280 -5.932 -16.380 1.00 21.51 C ATOM 545 H PHE A 112 -14.236 -3.291 -18.055 1.00 0.00 H ATOM 546 N ALA A 113 -12.657 -4.952 -20.437 1.00 16.82 N ATOM 547 CA ALA A 113 -12.326 -5.589 -21.700 1.00 18.73 C ATOM 548 C ALA A 113 -12.234 -4.585 -22.847 1.00 20.98 C ATOM 549 O ALA A 113 -11.402 -4.742 -23.756 1.00 22.87 O ATOM 550 CB ALA A 113 -13.414 -6.613 -22.038 1.00 22.49 C ATOM 551 H ALA A 113 -13.560 -5.149 -19.961 1.00 0.00 H ATOM 552 N GLU A 114 -13.138 -3.598 -22.877 1.00 20.17 N ATOM 553 CA GLU A 114 -13.105 -2.603 -23.940 1.00 25.12 C ATOM 554 C GLU A 114 -11.784 -1.809 -23.935 1.00 21.35 C ATOM 555 O GLU A 114 -11.166 -1.611 -25.004 1.00 24.20 O ATOM 556 CB GLU A 114 -14.314 -1.664 -23.815 1.00 28.49 C ATOM 557 CG GLU A 114 -14.502 -0.777 -25.026 1.00 43.60 C ATOM 558 CD GLU A 114 -14.756 -1.584 -26.313 1.00 57.72 C ATOM 559 OE1 GLU A 114 -15.210 -2.753 -26.223 1.00 59.77 O ATOM 560 OE2 GLU A 114 -14.489 -1.052 -27.421 1.00 64.46 O ATOM 561 H GLU A 114 -13.867 -3.542 -22.138 1.00 0.00 H ATOM 562 N MET A 115 -11.346 -1.383 -22.754 1.00 19.28 N ATOM 563 CA MET A 115 -10.102 -0.623 -22.640 1.00 20.37 C ATOM 564 C MET A 115 -8.929 -1.489 -23.070 1.00 19.64 C ATOM 565 O MET A 115 -8.066 -1.061 -23.844 1.00 25.45 O ATOM 566 CB MET A 115 -9.939 -0.138 -21.194 1.00 18.97 C ATOM 567 CG MET A 115 -8.630 0.729 -20.923 1.00 21.96 C ATOM 568 SD MET A 115 -8.763 2.251 -21.885 1.00 25.06 S ATOM 569 CE MET A 115 -9.868 3.129 -20.721 1.00 22.35 C ATOM 570 H MET A 115 -11.897 -1.594 -21.898 1.00 0.00 H ATOM 571 N SER A 116 -8.926 -2.740 -22.631 1.00 18.94 N ATOM 572 CA SER A 116 -7.821 -3.640 -22.950 1.00 22.72 C ATOM 573 C SER A 116 -7.674 -3.794 -24.451 1.00 29.73 C ATOM 574 O SER A 116 -6.549 -3.855 -24.988 1.00 30.47 O ATOM 575 CB SER A 116 -8.049 -5.007 -22.282 1.00 22.45 C ATOM 576 OG SER A 116 -8.174 -4.938 -20.854 1.00 17.07 O ATOM 577 HG SER A 116 -8.944 -4.362 -20.619 1.00 0.00 H ATOM 578 H SER A 116 -9.719 -3.084 -22.053 1.00 0.00 H ATOM 579 N SER A 117 -8.804 -3.816 -25.162 1.00 24.75 N ATOM 580 CA SER A 117 -8.757 -4.077 -26.580 1.00 28.13 C ATOM 581 C SER A 117 -8.554 -2.828 -27.428 1.00 33.17 C ATOM 582 O SER A 117 -8.197 -2.952 -28.599 1.00 36.85 O ATOM 583 CB SER A 117 -10.047 -4.775 -27.035 1.00 33.24 C ATOM 584 OG SER A 117 -11.079 -3.823 -27.217 1.00 39.61 O ATOM 585 HG SER A 117 -11.248 -3.354 -26.362 1.00 0.00 H ATOM 586 H SER A 117 -9.717 -3.645 -24.694 1.00 0.00 H ATOM 587 N GLN A 118 -8.766 -1.632 -26.881 1.00 34.22 N ATOM 588 CA GLN A 118 -8.733 -0.407 -27.681 1.00 39.98 C ATOM 589 C GLN A 118 -7.458 0.403 -27.512 1.00 38.62 C ATOM 590 O GLN A 118 -7.224 1.328 -28.308 1.00 41.00 O ATOM 591 CB GLN A 118 -9.919 0.497 -27.317 1.00 44.95 C ATOM 592 CG GLN A 118 -11.259 -0.014 -27.820 1.00 49.65 C ATOM 593 CD GLN A 118 -12.415 0.791 -27.258 1.00 53.64 C ATOM 594 OE1 GLN A 118 -12.352 1.313 -26.129 1.00 54.36 O ATOM 595 NE2 GLN A 118 -13.479 0.902 -28.042 1.00 59.38 N ATOM 596 HE22 GLN A 118 -13.485 0.448 -28.978 1.00 0.00 H ATOM 597 HE21 GLN A 118 -14.307 1.443 -27.721 1.00 0.00 H ATOM 598 H GLN A 118 -8.960 -1.567 -25.861 1.00 0.00 H ATOM 599 N LEU A 119 -6.634 0.089 -26.509 1.00 26.15 N ATOM 600 CA LEU A 119 -5.499 0.974 -26.188 1.00 30.49 C ATOM 601 C LEU A 119 -4.530 1.172 -27.376 1.00 38.82 C ATOM 602 O LEU A 119 -4.189 2.311 -27.739 1.00 40.69 O ATOM 603 CB LEU A 119 -4.745 0.467 -24.956 1.00 25.94 C ATOM 604 CG LEU A 119 -5.260 1.068 -23.670 1.00 24.16 C ATOM 605 CD1 LEU A 119 -4.613 0.456 -22.451 1.00 22.67 C ATOM 606 CD2 LEU A 119 -5.028 2.561 -23.710 1.00 25.54 C ATOM 607 H LEU A 119 -6.792 -0.777 -25.956 1.00 0.00 H ATOM 608 N HIS A 120 -4.032 0.085 -27.950 1.00 40.55 N ATOM 609 CA HIS A 120 -3.129 0.162 -29.119 1.00 45.01 C ATOM 610 C HIS A 120 -1.884 1.006 -28.825 1.00 36.05 C ATOM 611 O HIS A 120 -1.568 1.955 -29.528 1.00 36.47 O ATOM 612 CB HIS A 120 -3.869 0.703 -30.358 1.00 51.49 C ATOM 613 CG HIS A 120 -5.101 -0.071 -30.694 1.00 62.97 C ATOM 614 ND1 HIS A 120 -5.216 -1.428 -30.451 1.00 66.79 N ATOM 615 CD2 HIS A 120 -6.279 0.319 -31.237 1.00 66.25 C ATOM 616 CE1 HIS A 120 -6.405 -1.844 -30.853 1.00 69.30 C ATOM 617 NE2 HIS A 120 -7.071 -0.802 -31.327 1.00 68.90 N ATOM 618 H HIS A 120 -4.284 -0.849 -27.567 1.00 0.00 H ATOM 619 N LEU A 121 -1.156 0.605 -27.802 1.00 29.50 N ATOM 620 CA LEU A 121 -0.044 1.397 -27.300 1.00 21.65 C ATOM 621 C LEU A 121 1.153 1.304 -28.212 1.00 26.89 C ATOM 622 O LEU A 121 1.381 0.269 -28.861 1.00 27.52 O ATOM 623 CB LEU A 121 0.365 0.917 -25.899 1.00 24.97 C ATOM 624 CG LEU A 121 -0.646 1.113 -24.813 1.00 20.05 C ATOM 625 CD1 LEU A 121 -0.091 0.428 -23.522 1.00 27.19 C ATOM 626 CD2 LEU A 121 -0.947 2.607 -24.561 1.00 19.45 C ATOM 627 H LEU A 121 -1.382 -0.300 -27.342 1.00 0.00 H ATOM 628 N THR A 122 1.981 2.394 -28.214 1.00 23.28 N ATOM 629 CA THR A 122 3.323 2.316 -28.807 1.00 23.44 C ATOM 630 C THR A 122 4.207 3.101 -27.843 1.00 20.09 C ATOM 631 O THR A 122 3.699 3.834 -26.985 1.00 20.74 O ATOM 632 CB THR A 122 3.413 2.904 -30.220 1.00 27.43 C ATOM 633 OG1 THR A 122 3.329 4.353 -30.109 1.00 28.07 O ATOM 634 CG2 THR A 122 2.307 2.378 -31.117 1.00 34.24 C ATOM 635 HG1 THR A 122 3.385 4.756 -31.012 1.00 0.00 H ATOM 636 H THR A 122 1.657 3.287 -27.791 1.00 0.00 H ATOM 637 N PRO A 123 5.525 3.040 -27.938 1.00 23.35 N ATOM 638 CA PRO A 123 6.350 3.757 -26.945 1.00 23.34 C ATOM 639 C PRO A 123 6.141 5.277 -26.967 1.00 26.85 C ATOM 640 O PRO A 123 6.185 5.920 -25.914 1.00 30.38 O ATOM 641 CB PRO A 123 7.798 3.363 -27.345 1.00 31.83 C ATOM 642 CG PRO A 123 7.632 2.041 -27.985 1.00 34.96 C ATOM 643 CD PRO A 123 6.347 2.134 -28.776 1.00 29.89 C ATOM 644 N PHE A 124 5.928 5.875 -28.154 1.00 26.94 N ATOM 645 CA PHE A 124 5.793 7.342 -28.238 1.00 24.65 C ATOM 646 C PHE A 124 4.387 7.807 -27.884 1.00 24.02 C ATOM 647 O PHE A 124 4.200 8.983 -27.591 1.00 22.96 O ATOM 648 CB PHE A 124 6.110 7.817 -29.638 1.00 36.43 C ATOM 649 CG PHE A 124 7.505 7.401 -30.101 1.00 54.03 C ATOM 650 CD1 PHE A 124 8.621 7.632 -29.285 1.00 57.94 C ATOM 651 CD2 PHE A 124 7.691 6.726 -31.311 1.00 65.36 C ATOM 652 CE1 PHE A 124 9.887 7.232 -29.680 1.00 64.76 C ATOM 653 CE2 PHE A 124 8.966 6.327 -31.715 1.00 69.75 C ATOM 654 CZ PHE A 124 10.058 6.578 -30.893 1.00 69.39 C ATOM 655 H PHE A 124 5.858 5.299 -29.017 1.00 0.00 H ATOM 656 N THR A 125 3.406 6.928 -27.892 1.00 19.66 N ATOM 657 CA THR A 125 2.028 7.363 -27.601 1.00 18.48 C ATOM 658 C THR A 125 1.569 6.968 -26.224 1.00 16.44 C ATOM 659 O THR A 125 0.499 7.406 -25.789 1.00 15.50 O ATOM 660 CB THR A 125 0.991 6.785 -28.595 1.00 22.88 C ATOM 661 OG1 THR A 125 0.961 5.319 -28.495 1.00 23.13 O ATOM 662 CG2 THR A 125 1.333 7.249 -30.036 1.00 21.56 C ATOM 663 HG1 THR A 125 1.857 4.956 -28.710 1.00 0.00 H ATOM 664 H THR A 125 3.603 5.929 -28.103 1.00 0.00 H ATOM 665 N ALA A 126 2.324 6.137 -25.491 1.00 15.97 N ATOM 666 CA ALA A 126 1.780 5.598 -24.245 1.00 14.37 C ATOM 667 C ALA A 126 1.437 6.704 -23.230 1.00 14.43 C ATOM 668 O ALA A 126 0.408 6.641 -22.552 1.00 14.06 O ATOM 669 CB ALA A 126 2.806 4.585 -23.647 1.00 14.60 C ATOM 670 H ALA A 126 3.282 5.880 -25.804 1.00 0.00 H ATOM 671 N ARG A 127 2.293 7.723 -23.094 1.00 14.18 N ATOM 672 CA ARG A 127 2.031 8.734 -22.062 1.00 13.39 C ATOM 673 C ARG A 127 0.783 9.505 -22.414 1.00 13.12 C ATOM 674 O ARG A 127 -0.007 9.851 -21.504 1.00 13.44 O ATOM 675 CB ARG A 127 3.247 9.667 -21.974 1.00 18.00 C ATOM 676 CG ARG A 127 3.032 10.874 -21.078 1.00 24.44 C ATOM 677 CD ARG A 127 3.010 10.530 -19.657 1.00 24.15 C ATOM 678 NE ARG A 127 2.897 11.752 -18.798 1.00 30.30 N ATOM 679 CZ ARG A 127 1.762 12.252 -18.303 1.00 40.11 C ATOM 680 NH1 ARG A 127 0.594 11.685 -18.591 1.00 45.15 N ATOM 681 NH2 ARG A 127 1.788 13.335 -17.519 1.00 40.20 N ATOM 682 HE ARG A 127 3.778 12.254 -18.567 1.00 0.00 H ATOM 683 HH12 ARG A 127 -0.286 12.080 -18.202 1.00 0.00 H ATOM 684 HH11 ARG A 127 0.560 10.847 -19.205 1.00 0.00 H ATOM 685 HH22 ARG A 127 0.902 13.721 -17.136 1.00 0.00 H ATOM 686 HH21 ARG A 127 2.695 13.791 -17.293 1.00 0.00 H ATOM 687 H ARG A 127 3.129 7.798 -23.708 1.00 0.00 H ATOM 688 N GLY A 128 0.557 9.729 -23.730 1.00 14.25 N ATOM 689 CA GLY A 128 -0.641 10.462 -24.161 1.00 14.49 C ATOM 690 C GLY A 128 -1.908 9.641 -23.907 1.00 13.40 C ATOM 691 O GLY A 128 -2.937 10.183 -23.516 1.00 13.06 O ATOM 692 H GLY A 128 1.234 9.381 -24.438 1.00 0.00 H ATOM 693 N ARG A 129 -1.841 8.311 -24.162 1.00 13.18 N ATOM 694 CA ARG A 129 -3.005 7.460 -23.862 1.00 12.51 C ATOM 695 C ARG A 129 -3.299 7.537 -22.367 1.00 13.23 C ATOM 696 O ARG A 129 -4.455 7.634 -21.938 1.00 11.18 O ATOM 697 CB ARG A 129 -2.697 6.004 -24.306 1.00 13.34 C ATOM 698 CG ARG A 129 -2.363 5.888 -25.787 1.00 20.77 C ATOM 699 CD ARG A 129 -3.435 6.273 -26.739 1.00 29.25 C ATOM 700 NE ARG A 129 -2.968 5.926 -28.107 1.00 46.11 N ATOM 701 CZ ARG A 129 -3.166 6.675 -29.202 1.00 51.43 C ATOM 702 NH1 ARG A 129 -3.808 7.838 -29.114 1.00 54.38 N ATOM 703 NH2 ARG A 129 -2.730 6.269 -30.386 1.00 54.75 N ATOM 704 HE ARG A 129 -2.447 5.033 -28.224 1.00 0.00 H ATOM 705 HH12 ARG A 129 -3.959 8.415 -29.966 1.00 0.00 H ATOM 706 HH11 ARG A 129 -4.159 8.170 -28.193 1.00 0.00 H ATOM 707 HH22 ARG A 129 -2.889 6.858 -31.229 1.00 0.00 H ATOM 708 HH21 ARG A 129 -2.229 5.362 -30.473 1.00 0.00 H ATOM 709 H ARG A 129 -0.977 7.896 -24.565 1.00 0.00 H ATOM 710 N PHE A 130 -2.259 7.417 -21.540 1.00 10.55 N ATOM 711 CA PHE A 130 -2.428 7.492 -20.081 1.00 11.22 C ATOM 712 C PHE A 130 -3.070 8.826 -19.687 1.00 13.04 C ATOM 713 O PHE A 130 -4.056 8.877 -18.943 1.00 14.42 O ATOM 714 CB PHE A 130 -1.035 7.347 -19.400 1.00 12.31 C ATOM 715 CG PHE A 130 -1.069 7.315 -17.879 1.00 13.40 C ATOM 716 CD1 PHE A 130 -1.306 6.127 -17.207 1.00 23.86 C ATOM 717 CD2 PHE A 130 -0.872 8.460 -17.155 1.00 16.85 C ATOM 718 CE1 PHE A 130 -1.367 6.121 -15.784 1.00 19.93 C ATOM 719 CE2 PHE A 130 -0.916 8.418 -15.750 1.00 20.20 C ATOM 720 CZ PHE A 130 -1.110 7.261 -15.127 1.00 18.53 C ATOM 721 H PHE A 130 -1.309 7.267 -21.935 1.00 0.00 H ATOM 722 N ALA A 131 -2.498 9.927 -20.166 1.00 11.22 N ATOM 723 CA ALA A 131 -2.980 11.276 -19.800 1.00 12.46 C ATOM 724 C ALA A 131 -4.414 11.465 -20.265 1.00 13.26 C ATOM 725 O ALA A 131 -5.227 12.093 -19.568 1.00 14.26 O ATOM 726 CB ALA A 131 -2.113 12.367 -20.476 1.00 14.14 C ATOM 727 H ALA A 131 -1.690 9.837 -20.815 1.00 0.00 H ATOM 728 N THR A 132 -4.755 10.910 -21.443 1.00 13.61 N ATOM 729 CA THR A 132 -6.070 11.124 -22.021 1.00 12.16 C ATOM 730 C THR A 132 -7.131 10.419 -21.182 1.00 13.35 C ATOM 731 O THR A 132 -8.195 11.026 -20.887 1.00 16.96 O ATOM 732 CB THR A 132 -6.122 10.578 -23.445 1.00 17.29 C ATOM 733 OG1 THR A 132 -5.208 11.359 -24.258 1.00 19.25 O ATOM 734 CG2 THR A 132 -7.523 10.734 -24.043 1.00 21.15 C ATOM 735 HG1 THR A 132 -5.225 11.022 -25.189 1.00 0.00 H ATOM 736 H THR A 132 -4.065 10.318 -21.948 1.00 0.00 H ATOM 737 N VAL A 133 -6.841 9.176 -20.774 1.00 13.26 N ATOM 738 CA VAL A 133 -7.831 8.437 -19.984 1.00 11.36 C ATOM 739 C VAL A 133 -7.947 9.015 -18.592 1.00 11.67 C ATOM 740 O VAL A 133 -9.059 9.146 -18.037 1.00 13.25 O ATOM 741 CB VAL A 133 -7.442 6.947 -19.962 1.00 12.58 C ATOM 742 CG1 VAL A 133 -8.295 6.173 -18.850 1.00 14.42 C ATOM 743 CG2 VAL A 133 -7.622 6.350 -21.391 1.00 13.42 C ATOM 744 H VAL A 133 -5.927 8.742 -21.014 1.00 0.00 H ATOM 745 N VAL A 134 -6.811 9.361 -17.981 1.00 12.47 N ATOM 746 CA VAL A 134 -6.866 9.868 -16.612 1.00 13.69 C ATOM 747 C VAL A 134 -7.644 11.188 -16.549 1.00 17.34 C ATOM 748 O VAL A 134 -8.479 11.420 -15.639 1.00 14.59 O ATOM 749 CB VAL A 134 -5.456 10.004 -16.033 1.00 16.98 C ATOM 750 CG1 VAL A 134 -5.493 10.700 -14.768 1.00 26.92 C ATOM 751 CG2 VAL A 134 -4.803 8.578 -15.845 1.00 15.29 C ATOM 752 H VAL A 134 -5.899 9.271 -18.473 1.00 0.00 H ATOM 753 N GLU A 135 -7.439 12.083 -17.545 1.00 12.25 N ATOM 754 CA GLU A 135 -8.236 13.298 -17.530 1.00 11.66 C ATOM 755 C GLU A 135 -9.725 12.971 -17.586 1.00 15.05 C ATOM 756 O GLU A 135 -10.555 13.635 -16.926 1.00 18.97 O ATOM 757 CB GLU A 135 -7.824 14.222 -18.692 1.00 15.57 C ATOM 758 CG GLU A 135 -8.713 15.467 -18.691 1.00 18.96 C ATOM 759 CD GLU A 135 -8.374 16.386 -19.796 1.00 27.86 C ATOM 760 OE1 GLU A 135 -8.634 17.613 -19.648 1.00 28.74 O ATOM 761 OE2 GLU A 135 -7.914 15.898 -20.855 1.00 29.81 O ATOM 762 H GLU A 135 -6.738 11.907 -18.292 1.00 0.00 H ATOM 763 N GLU A 136 -10.122 12.044 -18.461 1.00 17.31 N ATOM 764 CA GLU A 136 -11.561 11.753 -18.589 1.00 17.31 C ATOM 765 C GLU A 136 -12.102 11.110 -17.313 1.00 17.48 C ATOM 766 O GLU A 136 -13.242 11.392 -16.874 1.00 16.92 O ATOM 767 CB GLU A 136 -11.822 10.831 -19.789 1.00 21.10 C ATOM 768 CG GLU A 136 -13.253 10.469 -20.047 1.00 28.81 C ATOM 769 CD GLU A 136 -14.106 11.657 -20.533 1.00 47.73 C ATOM 770 OE1 GLU A 136 -13.556 12.657 -21.072 1.00 49.75 O ATOM 771 OE2 GLU A 136 -15.354 11.586 -20.369 1.00 57.52 O ATOM 772 H GLU A 136 -9.427 11.535 -19.043 1.00 0.00 H ATOM 773 N LEU A 137 -11.301 10.236 -16.720 1.00 14.89 N ATOM 774 CA LEU A 137 -11.726 9.540 -15.510 1.00 13.30 C ATOM 775 C LEU A 137 -12.031 10.521 -14.383 1.00 16.36 C ATOM 776 O LEU A 137 -12.990 10.336 -13.595 1.00 15.41 O ATOM 777 CB LEU A 137 -10.596 8.578 -15.088 1.00 13.82 C ATOM 778 CG LEU A 137 -10.812 7.805 -13.847 1.00 15.07 C ATOM 779 CD1 LEU A 137 -12.060 6.821 -13.954 1.00 17.16 C ATOM 780 CD2 LEU A 137 -9.493 6.990 -13.500 1.00 13.68 C ATOM 781 H LEU A 137 -10.361 10.045 -17.121 1.00 0.00 H ATOM 782 N PHE A 138 -11.234 11.581 -14.290 1.00 12.53 N ATOM 783 CA PHE A 138 -11.393 12.520 -13.172 1.00 15.25 C ATOM 784 C PHE A 138 -12.076 13.809 -13.567 1.00 18.05 C ATOM 785 O PHE A 138 -12.114 14.733 -12.755 1.00 17.86 O ATOM 786 CB PHE A 138 -10.046 12.833 -12.502 1.00 15.28 C ATOM 787 CG PHE A 138 -9.468 11.642 -11.772 1.00 13.81 C ATOM 788 CD1 PHE A 138 -10.089 11.040 -10.654 1.00 11.20 C ATOM 789 CD2 PHE A 138 -8.308 11.057 -12.244 1.00 16.45 C ATOM 790 CE1 PHE A 138 -9.508 9.937 -10.049 1.00 10.73 C ATOM 791 CE2 PHE A 138 -7.724 9.904 -11.574 1.00 17.59 C ATOM 792 CZ PHE A 138 -8.337 9.368 -10.523 1.00 12.77 C ATOM 793 H PHE A 138 -10.499 11.745 -15.008 1.00 0.00 H ATOM 794 N ARG A 139 -12.596 13.901 -14.796 1.00 17.29 N ATOM 795 CA ARG A 139 -13.186 15.176 -15.282 1.00 17.11 C ATOM 796 C ARG A 139 -14.264 15.703 -14.344 1.00 21.84 C ATOM 797 O ARG A 139 -14.427 16.916 -14.229 1.00 31.15 O ATOM 798 CB ARG A 139 -13.759 14.957 -16.686 1.00 23.65 C ATOM 799 CG ARG A 139 -13.953 16.228 -17.497 1.00 43.44 C ATOM 800 CD ARG A 139 -14.516 15.885 -18.858 1.00 56.26 C ATOM 801 NE ARG A 139 -15.783 15.175 -18.732 1.00 68.18 N ATOM 802 CZ ARG A 139 -16.380 14.535 -19.736 1.00 80.05 C ATOM 803 NH1 ARG A 139 -17.546 13.914 -19.531 1.00 84.55 N ATOM 804 NH2 ARG A 139 -15.805 14.504 -20.947 1.00 82.09 N ATOM 805 HE ARG A 139 -16.249 15.168 -17.802 1.00 0.00 H ATOM 806 HH12 ARG A 139 -18.013 13.414 -20.314 1.00 0.00 H ATOM 807 HH11 ARG A 139 -17.986 13.931 -18.589 1.00 0.00 H ATOM 808 HH22 ARG A 139 -16.271 14.004 -21.731 1.00 0.00 H ATOM 809 HH21 ARG A 139 -14.893 14.980 -21.102 1.00 0.00 H ATOM 810 H ARG A 139 -12.587 13.069 -15.420 1.00 0.00 H ATOM 811 N ASP A 140 -15.050 14.831 -13.729 1.00 21.03 N ATOM 812 CA ASP A 140 -16.155 15.291 -12.898 1.00 28.03 C ATOM 813 C ASP A 140 -15.797 15.309 -11.425 1.00 25.87 C ATOM 814 O ASP A 140 -16.693 15.469 -10.584 1.00 27.40 O ATOM 815 CB ASP A 140 -17.382 14.421 -13.119 1.00 33.59 C ATOM 816 CG ASP A 140 -18.016 14.634 -14.505 1.00 44.76 C ATOM 817 OD1 ASP A 140 -17.933 15.758 -15.042 1.00 43.52 O ATOM 818 OD2 ASP A 140 -18.593 13.664 -15.045 1.00 50.85 O ATOM 819 H ASP A 140 -14.877 13.812 -13.840 1.00 0.00 H ATOM 820 N GLY A 141 -14.524 15.110 -11.092 1.00 18.93 N ATOM 821 CA GLY A 141 -14.075 15.249 -9.723 1.00 19.30 C ATOM 822 C GLY A 141 -13.476 13.912 -9.266 1.00 18.73 C ATOM 823 O GLY A 141 -13.625 12.896 -9.954 1.00 21.66 O ATOM 824 H GLY A 141 -13.839 14.850 -11.830 1.00 0.00 H ATOM 825 N VAL A 142 -12.738 13.934 -8.194 1.00 19.26 N ATOM 826 CA VAL A 142 -12.086 12.741 -7.658 1.00 16.50 C ATOM 827 C VAL A 142 -13.016 12.147 -6.597 1.00 15.07 C ATOM 828 O VAL A 142 -13.636 12.884 -5.792 1.00 18.92 O ATOM 829 CB VAL A 142 -10.716 13.109 -7.068 1.00 17.21 C ATOM 830 CG1 VAL A 142 -10.087 11.946 -6.344 1.00 18.12 C ATOM 831 CG2 VAL A 142 -9.819 13.679 -8.072 1.00 19.89 C ATOM 832 H VAL A 142 -12.607 14.839 -7.698 1.00 0.00 H ATOM 833 N ASN A 143 -13.084 10.802 -6.531 1.00 11.61 N ATOM 834 CA ASN A 143 -13.569 10.081 -5.372 1.00 12.48 C ATOM 835 C ASN A 143 -12.806 8.778 -5.291 1.00 12.07 C ATOM 836 O ASN A 143 -11.987 8.496 -6.137 1.00 11.98 O ATOM 837 CB ASN A 143 -15.107 9.868 -5.423 1.00 16.39 C ATOM 838 CG ASN A 143 -15.548 9.074 -6.647 1.00 18.33 C ATOM 839 OD1 ASN A 143 -14.831 8.207 -7.129 1.00 17.25 O ATOM 840 ND2 ASN A 143 -16.774 9.335 -7.142 1.00 25.58 N ATOM 841 HD22 ASN A 143 -17.361 10.078 -6.712 1.00 0.00 H ATOM 842 HD21 ASN A 143 -17.133 8.794 -7.954 1.00 0.00 H ATOM 843 H ASN A 143 -12.771 10.253 -7.357 1.00 0.00 H ATOM 844 N TRP A 144 -13.001 8.038 -4.201 1.00 12.36 N ATOM 845 CA TRP A 144 -12.178 6.842 -4.001 1.00 11.12 C ATOM 846 C TRP A 144 -12.412 5.815 -5.108 1.00 12.20 C ATOM 847 O TRP A 144 -11.477 5.124 -5.516 1.00 9.40 O ATOM 848 CB TRP A 144 -12.497 6.198 -2.635 1.00 11.29 C ATOM 849 CG TRP A 144 -12.020 7.025 -1.510 1.00 10.66 C ATOM 850 CD1 TRP A 144 -12.815 7.634 -0.493 1.00 11.17 C ATOM 851 CD2 TRP A 144 -10.659 7.341 -1.164 1.00 9.99 C ATOM 852 NE1 TRP A 144 -11.998 8.323 0.428 1.00 13.58 N ATOM 853 CE2 TRP A 144 -10.693 8.129 0.036 1.00 12.26 C ATOM 854 CE3 TRP A 144 -9.402 6.983 -1.708 1.00 13.60 C ATOM 855 CZ2 TRP A 144 -9.519 8.618 0.648 1.00 17.98 C ATOM 856 CZ3 TRP A 144 -8.193 7.474 -1.065 1.00 12.41 C ATOM 857 CH2 TRP A 144 -8.290 8.297 0.081 1.00 16.76 C ATOM 858 HE1 TRP A 144 -12.321 8.874 1.249 1.00 0.00 H ATOM 859 H TRP A 144 -13.725 8.304 -3.504 1.00 0.00 H ATOM 860 N GLY A 145 -13.647 5.681 -5.596 1.00 10.08 N ATOM 861 CA GLY A 145 -13.867 4.696 -6.654 1.00 10.29 C ATOM 862 C GLY A 145 -13.123 5.038 -7.942 1.00 9.78 C ATOM 863 O GLY A 145 -12.688 4.126 -8.675 1.00 9.85 O ATOM 864 H GLY A 145 -14.431 6.261 -5.234 1.00 0.00 H ATOM 865 N ARG A 146 -13.083 6.321 -8.287 1.00 9.66 N ATOM 866 CA ARG A 146 -12.280 6.727 -9.448 1.00 9.84 C ATOM 867 C ARG A 146 -10.807 6.514 -9.197 1.00 10.20 C ATOM 868 O ARG A 146 -10.096 6.223 -10.138 1.00 9.61 O ATOM 869 CB ARG A 146 -12.562 8.194 -9.836 1.00 11.65 C ATOM 870 CG ARG A 146 -14.013 8.282 -10.451 1.00 10.96 C ATOM 871 CD ARG A 146 -14.466 9.694 -10.474 1.00 14.33 C ATOM 872 NE ARG A 146 -15.815 9.722 -11.131 1.00 20.16 N ATOM 873 CZ ARG A 146 -16.678 10.728 -11.011 1.00 39.41 C ATOM 874 NH1 ARG A 146 -17.847 10.675 -11.661 1.00 43.89 N ATOM 875 NH2 ARG A 146 -16.395 11.789 -10.240 1.00 40.15 N ATOM 876 HE ARG A 146 -16.092 8.907 -11.715 1.00 0.00 H ATOM 877 HH12 ARG A 146 -18.527 11.457 -11.573 1.00 0.00 H ATOM 878 HH11 ARG A 146 -18.075 9.852 -12.254 1.00 0.00 H ATOM 879 HH22 ARG A 146 -17.079 12.568 -10.156 1.00 0.00 H ATOM 880 HH21 ARG A 146 -15.492 11.833 -9.727 1.00 0.00 H ATOM 881 H ARG A 146 -13.614 7.029 -7.741 1.00 0.00 H ATOM 882 N ILE A 147 -10.326 6.669 -7.965 1.00 8.37 N ATOM 883 CA ILE A 147 -8.924 6.317 -7.695 1.00 7.94 C ATOM 884 C ILE A 147 -8.704 4.822 -7.883 1.00 9.69 C ATOM 885 O ILE A 147 -7.700 4.405 -8.471 1.00 8.26 O ATOM 886 CB ILE A 147 -8.527 6.803 -6.304 1.00 8.00 C ATOM 887 CG1 ILE A 147 -8.501 8.367 -6.305 1.00 12.67 C ATOM 888 CG2 ILE A 147 -7.121 6.232 -5.889 1.00 13.19 C ATOM 889 CD1 ILE A 147 -8.130 8.924 -4.949 1.00 15.00 C ATOM 890 H ILE A 147 -10.934 7.034 -7.204 1.00 0.00 H ATOM 891 N VAL A 148 -9.658 3.984 -7.450 1.00 9.09 N ATOM 892 CA VAL A 148 -9.473 2.552 -7.699 1.00 10.74 C ATOM 893 C VAL A 148 -9.462 2.297 -9.206 1.00 9.58 C ATOM 894 O VAL A 148 -8.678 1.480 -9.715 1.00 9.17 O ATOM 895 CB VAL A 148 -10.582 1.770 -6.979 1.00 9.74 C ATOM 896 CG1 VAL A 148 -10.534 0.196 -7.376 1.00 10.07 C ATOM 897 CG2 VAL A 148 -10.380 1.909 -5.424 1.00 9.67 C ATOM 898 H VAL A 148 -10.501 4.339 -6.954 1.00 0.00 H ATOM 899 N ALA A 149 -10.353 2.964 -9.927 1.00 8.86 N ATOM 900 CA ALA A 149 -10.395 2.794 -11.369 1.00 9.07 C ATOM 901 C ALA A 149 -9.070 3.208 -11.993 1.00 9.89 C ATOM 902 O ALA A 149 -8.619 2.560 -12.970 1.00 9.89 O ATOM 903 CB ALA A 149 -11.497 3.617 -12.019 1.00 9.62 C ATOM 904 H ALA A 149 -11.022 3.609 -9.460 1.00 0.00 H ATOM 905 N PHE A 150 -8.431 4.257 -11.436 1.00 8.08 N ATOM 906 CA PHE A 150 -7.129 4.657 -11.946 1.00 12.01 C ATOM 907 C PHE A 150 -6.096 3.571 -11.743 1.00 10.49 C ATOM 908 O PHE A 150 -5.275 3.335 -12.646 1.00 9.63 O ATOM 909 CB PHE A 150 -6.761 5.979 -11.198 1.00 8.86 C ATOM 910 CG PHE A 150 -5.268 6.298 -11.127 1.00 8.88 C ATOM 911 CD1 PHE A 150 -4.710 7.056 -12.164 1.00 14.63 C ATOM 912 CD2 PHE A 150 -4.533 5.915 -10.044 1.00 13.08 C ATOM 913 CE1 PHE A 150 -3.310 7.395 -12.055 1.00 15.90 C ATOM 914 CE2 PHE A 150 -3.138 6.273 -9.912 1.00 16.00 C ATOM 915 CZ PHE A 150 -2.600 7.025 -10.965 1.00 12.06 C ATOM 916 H PHE A 150 -8.866 4.776 -10.647 1.00 0.00 H ATOM 917 N PHE A 151 -6.103 2.905 -10.596 1.00 8.88 N ATOM 918 CA PHE A 151 -5.142 1.833 -10.394 1.00 8.16 C ATOM 919 C PHE A 151 -5.411 0.696 -11.378 1.00 10.40 C ATOM 920 O PHE A 151 -4.497 0.171 -11.981 1.00 9.80 O ATOM 921 CB PHE A 151 -5.156 1.319 -8.951 1.00 8.80 C ATOM 922 CG PHE A 151 -4.339 2.150 -8.008 1.00 8.92 C ATOM 923 CD1 PHE A 151 -4.919 3.173 -7.292 1.00 9.92 C ATOM 924 CD2 PHE A 151 -2.991 1.912 -7.846 1.00 10.60 C ATOM 925 CE1 PHE A 151 -4.172 3.948 -6.435 1.00 11.52 C ATOM 926 CE2 PHE A 151 -2.237 2.683 -6.992 1.00 9.82 C ATOM 927 CZ PHE A 151 -2.829 3.697 -6.280 1.00 10.13 C ATOM 928 H PHE A 151 -6.787 3.147 -9.851 1.00 0.00 H ATOM 929 N GLU A 152 -6.676 0.327 -11.543 1.00 8.47 N ATOM 930 CA GLU A 152 -7.002 -0.752 -12.465 1.00 9.04 C ATOM 931 C GLU A 152 -6.591 -0.373 -13.880 1.00 10.92 C ATOM 932 O GLU A 152 -6.105 -1.219 -14.618 1.00 10.59 O ATOM 933 CB GLU A 152 -8.478 -1.129 -12.411 1.00 9.73 C ATOM 934 CG GLU A 152 -8.862 -1.986 -11.214 1.00 11.20 C ATOM 935 CD GLU A 152 -8.251 -3.376 -11.252 1.00 18.69 C ATOM 936 OE1 GLU A 152 -8.362 -4.070 -12.264 1.00 18.60 O ATOM 937 OE2 GLU A 152 -7.592 -3.736 -10.260 1.00 18.80 O ATOM 938 H GLU A 152 -7.432 0.808 -11.015 1.00 0.00 H ATOM 939 N PHE A 153 -6.822 0.881 -14.269 1.00 8.96 N ATOM 940 CA PHE A 153 -6.377 1.308 -15.606 1.00 10.52 C ATOM 941 C PHE A 153 -4.865 1.184 -15.746 1.00 9.38 C ATOM 942 O PHE A 153 -4.367 0.733 -16.802 1.00 8.83 O ATOM 943 CB PHE A 153 -6.874 2.737 -15.884 1.00 10.32 C ATOM 944 CG PHE A 153 -6.286 3.332 -17.094 1.00 9.13 C ATOM 945 CD1 PHE A 153 -6.548 2.763 -18.311 1.00 11.33 C ATOM 946 CD2 PHE A 153 -5.403 4.425 -16.961 1.00 15.66 C ATOM 947 CE1 PHE A 153 -5.978 3.322 -19.547 1.00 14.72 C ATOM 948 CE2 PHE A 153 -4.850 5.024 -18.134 1.00 15.47 C ATOM 949 CZ PHE A 153 -5.148 4.466 -19.385 1.00 15.01 C ATOM 950 H PHE A 153 -7.309 1.548 -13.637 1.00 0.00 H ATOM 951 N GLY A 154 -4.126 1.603 -14.711 1.00 8.53 N ATOM 952 CA GLY A 154 -2.672 1.451 -14.775 1.00 8.23 C ATOM 953 C GLY A 154 -2.305 -0.009 -14.966 1.00 10.53 C ATOM 954 O GLY A 154 -1.401 -0.355 -15.743 1.00 10.10 O ATOM 955 H GLY A 154 -4.577 2.029 -13.876 1.00 0.00 H ATOM 956 N GLY A 155 -3.030 -0.912 -14.273 1.00 9.42 N ATOM 957 CA GLY A 155 -2.772 -2.348 -14.493 1.00 9.15 C ATOM 958 C GLY A 155 -3.042 -2.815 -15.938 1.00 9.70 C ATOM 959 O GLY A 155 -2.270 -3.586 -16.515 1.00 13.51 O ATOM 960 H GLY A 155 -3.757 -0.602 -13.597 1.00 0.00 H ATOM 961 N VAL A 156 -4.128 -2.329 -16.542 1.00 9.72 N ATOM 962 CA VAL A 156 -4.419 -2.641 -17.946 1.00 10.38 C ATOM 963 C VAL A 156 -3.326 -2.099 -18.865 1.00 12.07 C ATOM 964 O VAL A 156 -2.884 -2.789 -19.805 1.00 12.02 O ATOM 965 CB VAL A 156 -5.796 -2.039 -18.315 1.00 10.71 C ATOM 966 CG1 VAL A 156 -6.030 -2.168 -19.847 1.00 12.32 C ATOM 967 CG2 VAL A 156 -6.843 -2.867 -17.539 1.00 14.78 C ATOM 968 H VAL A 156 -4.779 -1.719 -16.009 1.00 0.00 H ATOM 969 N MET A 157 -2.874 -0.837 -18.638 1.00 10.47 N ATOM 970 CA MET A 157 -1.783 -0.290 -19.444 1.00 9.72 C ATOM 971 C MET A 157 -0.554 -1.174 -19.331 1.00 9.81 C ATOM 972 O MET A 157 0.160 -1.385 -20.337 1.00 10.30 O ATOM 973 CB MET A 157 -1.356 1.138 -18.961 1.00 11.75 C ATOM 974 CG MET A 157 -2.496 2.127 -19.187 1.00 17.38 C ATOM 975 SD MET A 157 -2.265 2.856 -20.820 1.00 25.06 S ATOM 976 CE MET A 157 -0.575 3.571 -20.807 1.00 18.65 C ATOM 977 H MET A 157 -3.305 -0.259 -17.889 1.00 0.00 H ATOM 978 N CYS A 158 -0.267 -1.678 -18.111 1.00 9.54 N ATOM 979 CA CYS A 158 0.937 -2.508 -18.006 1.00 9.88 C ATOM 980 C CYS A 158 0.768 -3.831 -18.735 1.00 11.10 C ATOM 981 O CYS A 158 1.677 -4.303 -19.428 1.00 11.13 O ATOM 982 CB CYS A 158 1.265 -2.762 -16.540 1.00 10.11 C ATOM 983 SG CYS A 158 1.841 -1.226 -15.712 1.00 11.84 S ATOM 984 H CYS A 158 -0.871 -1.487 -17.286 1.00 0.00 H ATOM 985 N VAL A 159 -0.372 -4.485 -18.554 1.00 11.23 N ATOM 986 CA VAL A 159 -0.603 -5.735 -19.293 1.00 11.85 C ATOM 987 C VAL A 159 -0.572 -5.525 -20.801 1.00 15.44 C ATOM 988 O VAL A 159 0.062 -6.271 -21.534 1.00 13.38 O ATOM 989 CB VAL A 159 -1.951 -6.311 -18.869 1.00 12.24 C ATOM 990 CG1 VAL A 159 -2.348 -7.461 -19.847 1.00 17.14 C ATOM 991 CG2 VAL A 159 -1.858 -6.829 -17.461 1.00 14.79 C ATOM 992 H VAL A 159 -1.092 -4.119 -17.899 1.00 0.00 H ATOM 993 N GLU A 160 -1.239 -4.491 -21.276 1.00 12.02 N ATOM 994 CA GLU A 160 -1.238 -4.283 -22.705 1.00 14.23 C ATOM 995 C GLU A 160 0.162 -3.939 -23.224 1.00 14.71 C ATOM 996 O GLU A 160 0.477 -4.235 -24.363 1.00 16.10 O ATOM 997 CB GLU A 160 -2.312 -3.283 -23.126 1.00 14.87 C ATOM 998 CG GLU A 160 -3.742 -3.771 -22.865 1.00 20.09 C ATOM 999 CD GLU A 160 -3.984 -5.235 -23.236 1.00 22.76 C ATOM 1000 OE1 GLU A 160 -3.540 -5.670 -24.309 1.00 24.48 O ATOM 1001 OE2 GLU A 160 -4.642 -5.952 -22.460 1.00 25.62 O ATOM 1002 H GLU A 160 -1.750 -3.845 -20.641 1.00 0.00 H ATOM 1003 N SER A 161 0.998 -3.317 -22.398 1.00 12.15 N ATOM 1004 CA SER A 161 2.372 -3.034 -22.825 1.00 12.24 C ATOM 1005 C SER A 161 3.110 -4.325 -23.081 1.00 14.13 C ATOM 1006 O SER A 161 3.775 -4.470 -24.099 1.00 13.78 O ATOM 1007 CB SER A 161 3.160 -2.256 -21.758 1.00 11.93 C ATOM 1008 OG SER A 161 2.585 -0.906 -21.701 1.00 16.07 O ATOM 1009 HG SER A 161 1.628 -0.966 -21.456 1.00 0.00 H ATOM 1010 H SER A 161 0.678 -3.032 -21.451 1.00 0.00 H ATOM 1011 N VAL A 162 3.005 -5.281 -22.176 1.00 12.78 N ATOM 1012 CA VAL A 162 3.698 -6.582 -22.432 1.00 13.68 C ATOM 1013 C VAL A 162 3.100 -7.280 -23.671 1.00 14.60 C ATOM 1014 O VAL A 162 3.815 -7.841 -24.508 1.00 17.71 O ATOM 1015 CB VAL A 162 3.620 -7.499 -21.191 1.00 13.79 C ATOM 1016 CG1 VAL A 162 4.371 -8.808 -21.408 1.00 14.93 C ATOM 1017 CG2 VAL A 162 4.160 -6.746 -19.958 1.00 13.06 C ATOM 1018 H VAL A 162 2.454 -5.133 -21.306 1.00 0.00 H ATOM 1019 N ASN A 163 1.759 -7.259 -23.797 1.00 14.62 N ATOM 1020 CA ASN A 163 1.143 -7.866 -24.938 1.00 15.71 C ATOM 1021 C ASN A 163 1.642 -7.284 -26.242 1.00 16.17 C ATOM 1022 O ASN A 163 1.679 -8.005 -27.239 1.00 21.16 O ATOM 1023 CB ASN A 163 -0.388 -7.796 -24.920 1.00 17.10 C ATOM 1024 CG ASN A 163 -1.015 -8.619 -23.810 1.00 17.86 C ATOM 1025 OD1 ASN A 163 -0.454 -9.628 -23.354 1.00 20.12 O ATOM 1026 ND2 ASN A 163 -2.282 -8.257 -23.411 1.00 15.73 N ATOM 1027 HD22 ASN A 163 -2.729 -7.407 -23.809 1.00 0.00 H ATOM 1028 HD21 ASN A 163 -2.792 -8.834 -22.712 1.00 0.00 H ATOM 1029 H ASN A 163 1.173 -6.804 -23.068 1.00 0.00 H ATOM 1030 N ARG A 164 2.048 -6.014 -26.247 1.00 16.64 N ATOM 1031 CA ARG A 164 2.577 -5.368 -27.442 1.00 20.68 C ATOM 1032 C ARG A 164 4.100 -5.464 -27.475 1.00 18.04 C ATOM 1033 O ARG A 164 4.725 -4.769 -28.280 1.00 18.54 O ATOM 1034 CB ARG A 164 2.126 -3.871 -27.480 1.00 23.62 C ATOM 1035 CG ARG A 164 0.659 -3.596 -27.523 1.00 42.17 C ATOM 1036 CD ARG A 164 0.105 -4.010 -28.872 1.00 58.79 C ATOM 1037 NE ARG A 164 -1.284 -3.589 -29.040 1.00 72.76 N ATOM 1038 CZ ARG A 164 -2.129 -4.122 -29.921 1.00 79.67 C ATOM 1039 NH1 ARG A 164 -1.720 -5.112 -30.723 1.00 80.62 N ATOM 1040 NH2 ARG A 164 -3.382 -3.667 -29.995 1.00 81.40 N ATOM 1041 HE ARG A 164 -1.636 -2.823 -28.432 1.00 0.00 H ATOM 1042 HH12 ARG A 164 -2.379 -5.529 -31.411 1.00 0.00 H ATOM 1043 HH11 ARG A 164 -0.744 -5.464 -30.658 1.00 0.00 H ATOM 1044 HH22 ARG A 164 -4.045 -4.080 -30.681 1.00 0.00 H ATOM 1045 HH21 ARG A 164 -3.695 -2.900 -29.366 1.00 0.00 H ATOM 1046 H ARG A 164 1.985 -5.464 -25.366 1.00 0.00 H ATOM 1047 N GLU A 165 4.696 -6.334 -26.634 1.00 16.00 N ATOM 1048 CA GLU A 165 6.152 -6.548 -26.639 1.00 17.12 C ATOM 1049 C GLU A 165 6.884 -5.237 -26.317 1.00 20.69 C ATOM 1050 O GLU A 165 7.899 -4.921 -26.931 1.00 20.40 O ATOM 1051 CB GLU A 165 6.627 -7.123 -27.969 1.00 22.51 C ATOM 1052 CG GLU A 165 6.036 -8.508 -28.154 1.00 25.63 C ATOM 1053 CD GLU A 165 6.386 -9.097 -29.525 1.00 36.21 C ATOM 1054 OE1 GLU A 165 5.444 -9.378 -30.299 1.00 34.70 O ATOM 1055 OE2 GLU A 165 7.612 -9.207 -29.856 1.00 35.01 O ATOM 1056 H GLU A 165 4.109 -6.869 -25.962 1.00 0.00 H ATOM 1057 N MET A 166 6.320 -4.473 -25.400 1.00 17.17 N ATOM 1058 CA MET A 166 6.893 -3.226 -24.893 1.00 20.10 C ATOM 1059 C MET A 166 7.005 -3.277 -23.376 1.00 17.29 C ATOM 1060 O MET A 166 6.619 -2.324 -22.702 1.00 16.76 O ATOM 1061 CB MET A 166 6.008 -2.084 -25.338 1.00 21.67 C ATOM 1062 CG MET A 166 5.845 -2.102 -26.819 1.00 26.53 C ATOM 1063 SD MET A 166 4.925 -0.647 -27.302 1.00 38.95 S ATOM 1064 CE MET A 166 3.447 -0.748 -26.423 1.00 37.50 C ATOM 1065 H MET A 166 5.405 -4.779 -25.011 1.00 0.00 H ATOM 1066 N SER A 167 7.581 -4.364 -22.830 1.00 15.19 N ATOM 1067 CA SER A 167 7.710 -4.451 -21.373 1.00 15.21 C ATOM 1068 C SER A 167 8.386 -3.257 -20.719 1.00 13.20 C ATOM 1069 O SER A 167 8.016 -2.927 -19.577 1.00 14.09 O ATOM 1070 CB SER A 167 8.472 -5.726 -20.943 1.00 23.39 C ATOM 1071 OG SER A 167 7.566 -6.774 -21.006 1.00 25.36 O ATOM 1072 HG SER A 167 8.016 -7.614 -20.737 1.00 0.00 H ATOM 1073 H SER A 167 7.931 -5.134 -23.436 1.00 0.00 H ATOM 1074 N PRO A 168 9.364 -2.597 -21.325 1.00 15.68 N ATOM 1075 CA PRO A 168 9.990 -1.464 -20.611 1.00 18.32 C ATOM 1076 C PRO A 168 8.990 -0.387 -20.214 1.00 16.28 C ATOM 1077 O PRO A 168 9.218 0.391 -19.248 1.00 17.99 O ATOM 1078 CB PRO A 168 10.996 -0.941 -21.641 1.00 20.24 C ATOM 1079 CG PRO A 168 11.340 -2.091 -22.390 1.00 22.74 C ATOM 1080 CD PRO A 168 10.116 -2.929 -22.557 1.00 18.03 C ATOM 1081 N LEU A 169 7.882 -0.270 -20.958 1.00 12.36 N ATOM 1082 CA LEU A 169 6.881 0.740 -20.601 1.00 11.75 C ATOM 1083 C LEU A 169 6.301 0.510 -19.233 1.00 11.98 C ATOM 1084 O LEU A 169 5.768 1.461 -18.682 1.00 11.45 O ATOM 1085 CB LEU A 169 5.714 0.768 -21.615 1.00 16.45 C ATOM 1086 CG LEU A 169 5.974 1.454 -22.980 1.00 25.17 C ATOM 1087 CD1 LEU A 169 4.701 1.279 -23.858 1.00 22.72 C ATOM 1088 CD2 LEU A 169 6.254 2.907 -22.791 1.00 21.74 C ATOM 1089 H LEU A 169 7.733 -0.889 -21.780 1.00 0.00 H ATOM 1090 N VAL A 170 6.335 -0.722 -18.687 1.00 11.21 N ATOM 1091 CA VAL A 170 5.767 -0.935 -17.353 1.00 10.59 C ATOM 1092 C VAL A 170 6.503 -0.034 -16.348 1.00 12.40 C ATOM 1093 O VAL A 170 5.869 0.589 -15.474 1.00 11.47 O ATOM 1094 CB VAL A 170 5.878 -2.414 -16.939 1.00 11.05 C ATOM 1095 CG1 VAL A 170 5.372 -2.589 -15.533 1.00 10.85 C ATOM 1096 CG2 VAL A 170 5.016 -3.280 -17.875 1.00 12.75 C ATOM 1097 H VAL A 170 6.761 -1.515 -19.208 1.00 0.00 H ATOM 1098 N ASP A 171 7.825 0.120 -16.510 1.00 11.42 N ATOM 1099 CA ASP A 171 8.533 1.003 -15.582 1.00 11.77 C ATOM 1100 C ASP A 171 8.053 2.432 -15.737 1.00 11.79 C ATOM 1101 O ASP A 171 7.963 3.167 -14.746 1.00 11.31 O ATOM 1102 CB ASP A 171 10.046 0.926 -15.893 1.00 12.90 C ATOM 1103 CG ASP A 171 10.605 -0.458 -15.642 1.00 21.41 C ATOM 1104 OD1 ASP A 171 10.397 -0.984 -14.549 1.00 19.07 O ATOM 1105 OD2 ASP A 171 11.292 -1.019 -16.536 1.00 26.42 O ATOM 1106 H ASP A 171 8.332 -0.373 -17.272 1.00 0.00 H ATOM 1107 N ASN A 172 7.831 2.867 -16.981 1.00 11.32 N ATOM 1108 CA ASN A 172 7.325 4.223 -17.181 1.00 11.17 C ATOM 1109 C ASN A 172 5.940 4.418 -16.589 1.00 10.30 C ATOM 1110 O ASN A 172 5.685 5.448 -15.961 1.00 10.26 O ATOM 1111 CB ASN A 172 7.300 4.590 -18.673 1.00 12.52 C ATOM 1112 CG ASN A 172 8.703 4.526 -19.266 1.00 17.71 C ATOM 1113 OD1 ASN A 172 9.134 3.462 -19.674 1.00 23.55 O ATOM 1114 ND2 ASN A 172 9.418 5.671 -19.306 1.00 21.84 N ATOM 1115 HD22 ASN A 172 9.005 6.555 -18.945 1.00 0.00 H ATOM 1116 HD21 ASN A 172 10.381 5.669 -19.698 1.00 0.00 H ATOM 1117 H ASN A 172 8.016 2.248 -17.796 1.00 0.00 H ATOM 1118 N ILE A 173 5.043 3.466 -16.829 1.00 10.10 N ATOM 1119 CA ILE A 173 3.683 3.622 -16.345 1.00 9.15 C ATOM 1120 C ILE A 173 3.711 3.676 -14.809 1.00 10.63 C ATOM 1121 O ILE A 173 2.984 4.463 -14.211 1.00 11.46 O ATOM 1122 CB ILE A 173 2.835 2.432 -16.876 1.00 8.95 C ATOM 1123 CG1 ILE A 173 2.676 2.550 -18.427 1.00 11.56 C ATOM 1124 CG2 ILE A 173 1.452 2.409 -16.098 1.00 9.67 C ATOM 1125 CD1 ILE A 173 2.340 1.167 -19.077 1.00 11.84 C ATOM 1126 H ILE A 173 5.314 2.614 -17.361 1.00 0.00 H ATOM 1127 N ALA A 174 4.539 2.833 -14.163 1.00 9.67 N ATOM 1128 CA ALA A 174 4.580 2.853 -12.692 1.00 10.29 C ATOM 1129 C ALA A 174 5.080 4.218 -12.228 1.00 10.57 C ATOM 1130 O ALA A 174 4.595 4.762 -11.240 1.00 10.59 O ATOM 1131 CB ALA A 174 5.497 1.738 -12.155 1.00 10.06 C ATOM 1132 H ALA A 174 5.142 2.176 -14.697 1.00 0.00 H ATOM 1133 N LEU A 175 6.040 4.777 -12.947 1.00 10.22 N ATOM 1134 CA LEU A 175 6.477 6.139 -12.605 1.00 10.74 C ATOM 1135 C LEU A 175 5.345 7.156 -12.784 1.00 10.24 C ATOM 1136 O LEU A 175 5.115 8.019 -11.949 1.00 11.53 O ATOM 1137 CB LEU A 175 7.669 6.551 -13.503 1.00 11.62 C ATOM 1138 CG LEU A 175 8.143 7.986 -13.251 1.00 20.94 C ATOM 1139 CD1 LEU A 175 8.599 8.143 -11.794 1.00 20.63 C ATOM 1140 CD2 LEU A 175 9.302 8.261 -14.266 1.00 25.50 C ATOM 1141 H LEU A 175 6.477 4.263 -13.739 1.00 0.00 H ATOM 1142 N TRP A 176 4.622 7.082 -13.908 1.00 9.84 N ATOM 1143 CA TRP A 176 3.537 8.081 -14.130 1.00 10.47 C ATOM 1144 C TRP A 176 2.469 7.955 -13.073 1.00 9.03 C ATOM 1145 O TRP A 176 1.914 8.977 -12.618 1.00 12.04 O ATOM 1146 CB TRP A 176 2.844 7.869 -15.461 1.00 9.51 C ATOM 1147 CG TRP A 176 3.840 7.994 -16.622 1.00 10.25 C ATOM 1148 CD1 TRP A 176 5.049 8.693 -16.623 1.00 12.97 C ATOM 1149 CD2 TRP A 176 3.732 7.383 -17.907 1.00 13.01 C ATOM 1150 NE1 TRP A 176 5.723 8.485 -17.852 1.00 15.77 N ATOM 1151 CE2 TRP A 176 4.924 7.679 -18.620 1.00 14.51 C ATOM 1152 CE3 TRP A 176 2.784 6.530 -18.502 1.00 15.13 C ATOM 1153 CZ2 TRP A 176 5.155 7.194 -19.937 1.00 17.46 C ATOM 1154 CZ3 TRP A 176 3.048 6.054 -19.819 1.00 15.03 C ATOM 1155 CH2 TRP A 176 4.189 6.413 -20.480 1.00 16.99 C ATOM 1156 HE1 TRP A 176 6.650 8.872 -18.121 1.00 0.00 H ATOM 1157 H TRP A 176 4.813 6.342 -14.613 1.00 0.00 H ATOM 1158 N MET A 177 2.140 6.701 -12.683 1.00 8.56 N ATOM 1159 CA MET A 177 1.132 6.551 -11.616 1.00 8.52 C ATOM 1160 C MET A 177 1.611 7.151 -10.309 1.00 9.78 C ATOM 1161 O MET A 177 0.827 7.758 -9.561 1.00 9.31 O ATOM 1162 CB MET A 177 0.803 5.076 -11.367 1.00 9.37 C ATOM 1163 CG MET A 177 0.016 4.460 -12.596 1.00 9.78 C ATOM 1164 SD MET A 177 -0.091 2.648 -12.390 1.00 10.58 S ATOM 1165 CE MET A 177 -1.372 2.616 -11.064 1.00 12.39 C ATOM 1166 H MET A 177 2.584 5.869 -13.122 1.00 0.00 H ATOM 1167 N THR A 178 2.872 6.889 -9.975 1.00 9.09 N ATOM 1168 CA THR A 178 3.427 7.373 -8.724 1.00 10.71 C ATOM 1169 C THR A 178 3.411 8.887 -8.701 1.00 10.77 C ATOM 1170 O THR A 178 2.979 9.499 -7.723 1.00 11.66 O ATOM 1171 CB THR A 178 4.853 6.826 -8.574 1.00 10.56 C ATOM 1172 OG1 THR A 178 4.805 5.405 -8.480 1.00 10.41 O ATOM 1173 CG2 THR A 178 5.514 7.317 -7.267 1.00 13.06 C ATOM 1174 HG1 THR A 178 4.392 5.035 -9.300 1.00 0.00 H ATOM 1175 H THR A 178 3.468 6.330 -10.619 1.00 0.00 H ATOM 1176 N GLU A 179 3.847 9.504 -9.788 1.00 10.35 N ATOM 1177 CA GLU A 179 3.865 10.957 -9.821 1.00 12.61 C ATOM 1178 C GLU A 179 2.462 11.556 -9.801 1.00 13.74 C ATOM 1179 O GLU A 179 2.267 12.632 -9.269 1.00 13.96 O ATOM 1180 CB GLU A 179 4.715 11.501 -10.963 1.00 13.85 C ATOM 1181 CG GLU A 179 6.198 11.146 -10.855 1.00 20.28 C ATOM 1182 CD GLU A 179 6.982 11.816 -9.713 1.00 28.94 C ATOM 1183 OE1 GLU A 179 6.419 12.486 -8.825 1.00 17.00 O ATOM 1184 OE2 GLU A 179 8.219 11.651 -9.703 1.00 38.30 O ATOM 1185 H GLU A 179 4.173 8.955 -10.609 1.00 0.00 H ATOM 1186 N TYR A 180 1.498 10.848 -10.375 1.00 14.20 N ATOM 1187 CA TYR A 180 0.129 11.332 -10.350 1.00 9.99 C ATOM 1188 C TYR A 180 -0.340 11.376 -8.888 1.00 10.02 C ATOM 1189 O TYR A 180 -1.041 12.294 -8.492 1.00 11.97 O ATOM 1190 CB TYR A 180 -0.772 10.462 -11.221 1.00 13.79 C ATOM 1191 CG TYR A 180 -2.083 11.106 -11.528 1.00 16.97 C ATOM 1192 CD1 TYR A 180 -2.175 12.140 -12.443 1.00 21.17 C ATOM 1193 CD2 TYR A 180 -3.229 10.687 -10.896 1.00 16.38 C ATOM 1194 CE1 TYR A 180 -3.387 12.738 -12.712 1.00 25.34 C ATOM 1195 CE2 TYR A 180 -4.441 11.274 -11.157 1.00 21.82 C ATOM 1196 CZ TYR A 180 -4.518 12.301 -12.062 1.00 24.57 C ATOM 1197 OH TYR A 180 -5.741 12.873 -12.309 1.00 25.75 O ATOM 1198 HH TYR A 180 -5.637 13.594 -12.979 1.00 0.00 H ATOM 1199 H TYR A 180 1.723 9.947 -10.843 1.00 0.00 H ATOM 1200 N LEU A 181 -0.085 10.306 -8.142 1.00 9.86 N ATOM 1201 CA LEU A 181 -0.404 10.297 -6.735 1.00 9.21 C ATOM 1202 C LEU A 181 0.337 11.388 -5.975 1.00 14.75 C ATOM 1203 O LEU A 181 -0.243 12.025 -5.066 1.00 12.98 O ATOM 1204 CB LEU A 181 -0.023 8.951 -6.095 1.00 9.16 C ATOM 1205 CG LEU A 181 -0.936 7.870 -6.582 1.00 10.90 C ATOM 1206 CD1 LEU A 181 -0.328 6.447 -6.085 1.00 17.84 C ATOM 1207 CD2 LEU A 181 -2.379 7.913 -6.021 1.00 12.99 C ATOM 1208 H LEU A 181 0.349 9.467 -8.577 1.00 0.00 H ATOM 1209 N ASN A 182 1.625 11.562 -6.276 1.00 10.75 N ATOM 1210 CA ASN A 182 2.484 12.465 -5.531 1.00 11.92 C ATOM 1211 C ASN A 182 2.137 13.920 -5.781 1.00 14.61 C ATOM 1212 O ASN A 182 2.354 14.736 -4.885 1.00 13.38 O ATOM 1213 CB ASN A 182 3.943 12.319 -5.974 1.00 12.66 C ATOM 1214 CG ASN A 182 4.593 11.029 -5.471 1.00 13.56 C ATOM 1215 OD1 ASN A 182 4.078 10.411 -4.533 1.00 14.47 O ATOM 1216 ND2 ASN A 182 5.724 10.658 -6.087 1.00 14.67 N ATOM 1217 HD22 ASN A 182 6.100 11.228 -6.871 1.00 0.00 H ATOM 1218 HD21 ASN A 182 6.226 9.800 -5.781 1.00 0.00 H ATOM 1219 H ASN A 182 2.029 11.031 -7.074 1.00 0.00 H ATOM 1220 N ARG A 183 1.603 14.266 -6.981 1.00 12.21 N ATOM 1221 CA ARG A 183 1.481 15.704 -7.316 1.00 12.93 C ATOM 1222 C ARG A 183 0.042 16.093 -7.637 1.00 18.37 C ATOM 1223 O ARG A 183 -0.357 17.189 -7.395 1.00 28.81 O ATOM 1224 CB ARG A 183 2.348 16.003 -8.532 1.00 15.11 C ATOM 1225 CG ARG A 183 3.865 15.829 -8.216 1.00 21.06 C ATOM 1226 CD ARG A 183 4.667 15.783 -9.486 1.00 28.03 C ATOM 1227 NE ARG A 183 6.085 15.656 -9.223 1.00 31.05 N ATOM 1228 CZ ARG A 183 6.952 16.657 -9.311 1.00 33.68 C ATOM 1229 NH1 ARG A 183 6.567 17.871 -9.649 1.00 36.86 N ATOM 1230 NH2 ARG A 183 8.222 16.427 -9.076 1.00 37.50 N ATOM 1231 HE ARG A 183 6.447 14.721 -8.948 1.00 0.00 H ATOM 1232 HH12 ARG A 183 7.265 18.639 -9.711 1.00 0.00 H ATOM 1233 HH11 ARG A 183 5.565 18.061 -9.853 1.00 0.00 H ATOM 1234 HH22 ARG A 183 8.912 17.203 -9.142 1.00 0.00 H ATOM 1235 HH21 ARG A 183 8.539 15.469 -8.824 1.00 0.00 H ATOM 1236 H ARG A 183 1.286 13.536 -7.651 1.00 0.00 H ATOM 1237 N HIS A 184 -0.666 15.288 -8.362 1.00 14.50 N ATOM 1238 CA HIS A 184 -2.017 15.677 -8.795 1.00 15.34 C ATOM 1239 C HIS A 184 -3.079 15.283 -7.784 1.00 16.17 C ATOM 1240 O HIS A 184 -3.988 16.086 -7.554 1.00 21.75 O ATOM 1241 CB HIS A 184 -2.378 14.991 -10.139 1.00 19.72 C ATOM 1242 CG HIS A 184 -1.440 15.289 -11.289 1.00 33.45 C ATOM 1243 ND1 HIS A 184 -0.060 15.152 -11.211 1.00 43.65 N ATOM 1244 CD2 HIS A 184 -1.696 15.715 -12.557 1.00 42.56 C ATOM 1245 CE1 HIS A 184 0.488 15.509 -12.364 1.00 47.94 C ATOM 1246 NE2 HIS A 184 -0.484 15.843 -13.200 1.00 44.46 N ATOM 1247 H HIS A 184 -0.279 14.363 -8.639 1.00 0.00 H ATOM 1248 N LEU A 185 -3.031 14.043 -7.275 1.00 11.52 N ATOM 1249 CA LEU A 185 -4.057 13.547 -6.348 1.00 12.35 C ATOM 1250 C LEU A 185 -3.698 13.820 -4.895 1.00 13.52 C ATOM 1251 O LEU A 185 -4.502 13.514 -4.015 1.00 13.51 O ATOM 1252 CB LEU A 185 -4.341 12.058 -6.515 1.00 11.70 C ATOM 1253 CG LEU A 185 -4.911 11.606 -7.852 1.00 10.94 C ATOM 1254 CD1 LEU A 185 -4.978 10.009 -7.886 1.00 13.74 C ATOM 1255 CD2 LEU A 185 -6.332 12.219 -8.098 1.00 15.60 C ATOM 1256 H LEU A 185 -2.246 13.416 -7.544 1.00 0.00 H ATOM 1257 N HIS A 186 -2.505 14.341 -4.610 1.00 14.16 N ATOM 1258 CA HIS A 186 -1.993 14.318 -3.248 1.00 15.48 C ATOM 1259 C HIS A 186 -2.879 15.105 -2.308 1.00 14.87 C ATOM 1260 O HIS A 186 -3.211 14.615 -1.231 1.00 15.19 O ATOM 1261 CB HIS A 186 -0.584 14.856 -3.216 1.00 18.19 C ATOM 1262 CG HIS A 186 -0.033 14.938 -1.827 1.00 24.81 C ATOM 1263 ND1 HIS A 186 0.432 13.814 -1.160 1.00 32.88 N ATOM 1264 CD2 HIS A 186 0.083 15.976 -0.969 1.00 29.89 C ATOM 1265 CE1 HIS A 186 0.844 14.180 0.049 1.00 32.32 C ATOM 1266 NE2 HIS A 186 0.625 15.478 0.194 1.00 27.77 N ATOM 1267 H HIS A 186 -1.935 14.768 -5.368 1.00 0.00 H ATOM 1268 N THR A 187 -3.329 16.286 -2.739 1.00 13.54 N ATOM 1269 CA THR A 187 -4.056 17.136 -1.810 1.00 14.43 C ATOM 1270 C THR A 187 -5.434 16.572 -1.570 1.00 16.95 C ATOM 1271 O THR A 187 -5.899 16.546 -0.405 1.00 15.59 O ATOM 1272 CB THR A 187 -4.079 18.569 -2.323 1.00 16.78 C ATOM 1273 OG1 THR A 187 -2.707 19.091 -2.215 1.00 20.54 O ATOM 1274 CG2 THR A 187 -4.971 19.420 -1.453 1.00 18.34 C ATOM 1275 HG1 THR A 187 -2.684 20.025 -2.541 1.00 0.00 H ATOM 1276 H THR A 187 -3.163 16.592 -3.719 1.00 0.00 H ATOM 1277 N TRP A 188 -6.054 16.019 -2.623 1.00 12.99 N ATOM 1278 CA TRP A 188 -7.398 15.468 -2.397 1.00 13.74 C ATOM 1279 C TRP A 188 -7.268 14.276 -1.448 1.00 13.78 C ATOM 1280 O TRP A 188 -8.023 14.129 -0.473 1.00 13.57 O ATOM 1281 CB TRP A 188 -8.019 15.055 -3.724 1.00 11.98 C ATOM 1282 CG TRP A 188 -9.414 14.568 -3.525 1.00 14.36 C ATOM 1283 CD1 TRP A 188 -10.535 15.317 -3.707 1.00 16.33 C ATOM 1284 CD2 TRP A 188 -9.872 13.248 -3.150 1.00 11.89 C ATOM 1285 NE1 TRP A 188 -11.654 14.587 -3.431 1.00 15.14 N ATOM 1286 CE2 TRP A 188 -11.285 13.316 -3.086 1.00 15.71 C ATOM 1287 CE3 TRP A 188 -9.243 12.024 -2.842 1.00 13.10 C ATOM 1288 CZ2 TRP A 188 -12.066 12.226 -2.708 1.00 15.01 C ATOM 1289 CZ3 TRP A 188 -10.020 10.930 -2.453 1.00 13.49 C ATOM 1290 CH2 TRP A 188 -11.396 11.024 -2.390 1.00 13.54 C ATOM 1291 HE1 TRP A 188 -12.631 14.940 -3.476 1.00 0.00 H ATOM 1292 H TRP A 188 -5.603 15.982 -3.559 1.00 0.00 H ATOM 1293 N ILE A 189 -6.230 13.449 -1.667 1.00 11.37 N ATOM 1294 CA ILE A 189 -6.144 12.248 -0.825 1.00 11.93 C ATOM 1295 C ILE A 189 -5.915 12.672 0.626 1.00 15.47 C ATOM 1296 O ILE A 189 -6.583 12.184 1.561 1.00 14.15 O ATOM 1297 CB ILE A 189 -5.061 11.287 -1.346 1.00 10.19 C ATOM 1298 CG1 ILE A 189 -5.618 10.602 -2.618 1.00 11.22 C ATOM 1299 CG2 ILE A 189 -4.668 10.247 -0.272 1.00 15.60 C ATOM 1300 CD1 ILE A 189 -4.421 9.825 -3.376 1.00 15.99 C ATOM 1301 H ILE A 189 -5.520 13.651 -2.400 1.00 0.00 H ATOM 1302 N GLN A 190 -4.988 13.614 0.823 1.00 13.06 N ATOM 1303 CA GLN A 190 -4.692 14.053 2.181 1.00 15.81 C ATOM 1304 C GLN A 190 -5.912 14.671 2.846 1.00 18.18 C ATOM 1305 O GLN A 190 -6.250 14.373 4.017 1.00 19.21 O ATOM 1306 CB GLN A 190 -3.552 15.077 2.183 1.00 22.59 C ATOM 1307 CG GLN A 190 -2.244 14.442 1.891 1.00 31.15 C ATOM 1308 CD GLN A 190 -1.687 13.716 3.121 1.00 47.29 C ATOM 1309 OE1 GLN A 190 -1.882 14.162 4.275 1.00 50.10 O ATOM 1310 NE2 GLN A 190 -1.017 12.591 2.883 1.00 53.28 N ATOM 1311 HE22 GLN A 190 -0.882 12.263 1.905 1.00 0.00 H ATOM 1312 HE21 GLN A 190 -0.628 12.040 3.675 1.00 0.00 H ATOM 1313 H GLN A 190 -4.482 14.030 0.015 1.00 0.00 H ATOM 1314 N ASP A 191 -6.600 15.504 2.112 1.00 13.43 N ATOM 1315 CA ASP A 191 -7.671 16.301 2.763 1.00 14.60 C ATOM 1316 C ASP A 191 -8.924 15.492 3.004 1.00 17.64 C ATOM 1317 O ASP A 191 -9.776 15.902 3.798 1.00 22.83 O ATOM 1318 CB ASP A 191 -7.983 17.502 1.864 1.00 14.36 C ATOM 1319 CG ASP A 191 -6.877 18.590 1.894 1.00 18.38 C ATOM 1320 OD1 ASP A 191 -5.912 18.477 2.712 1.00 17.96 O ATOM 1321 OD2 ASP A 191 -7.012 19.633 1.140 1.00 20.40 O ATOM 1322 H ASP A 191 -6.403 15.607 1.096 1.00 0.00 H ATOM 1323 N ASN A 192 -9.107 14.404 2.282 1.00 13.49 N ATOM 1324 CA ASN A 192 -10.251 13.544 2.532 1.00 13.73 C ATOM 1325 C ASN A 192 -9.886 12.325 3.392 1.00 13.07 C ATOM 1326 O ASN A 192 -10.607 11.326 3.415 1.00 14.80 O ATOM 1327 CB ASN A 192 -10.829 13.148 1.185 1.00 15.59 C ATOM 1328 CG ASN A 192 -11.454 14.401 0.460 1.00 23.24 C ATOM 1329 OD1 ASN A 192 -10.871 14.922 -0.474 1.00 26.76 O ATOM 1330 ND2 ASN A 192 -12.493 14.991 1.016 1.00 24.59 N ATOM 1331 HD22 ASN A 192 -12.984 14.537 1.813 1.00 0.00 H ATOM 1332 HD21 ASN A 192 -12.822 15.910 0.658 1.00 0.00 H ATOM 1333 H ASN A 192 -8.430 14.161 1.531 1.00 0.00 H ATOM 1334 N GLY A 193 -8.786 12.411 4.149 1.00 15.03 N ATOM 1335 CA GLY A 193 -8.527 11.473 5.224 1.00 16.40 C ATOM 1336 C GLY A 193 -7.456 10.473 4.938 1.00 21.29 C ATOM 1337 O GLY A 193 -7.198 9.615 5.781 1.00 18.37 O ATOM 1338 H GLY A 193 -8.100 13.170 3.962 1.00 0.00 H ATOM 1339 N GLY A 194 -6.833 10.597 3.808 1.00 16.50 N ATOM 1340 CA GLY A 194 -5.715 9.722 3.459 1.00 16.42 C ATOM 1341 C GLY A 194 -6.141 8.291 3.225 1.00 18.14 C ATOM 1342 O GLY A 194 -7.303 7.899 3.335 1.00 16.61 O ATOM 1343 H GLY A 194 -7.134 11.333 3.137 1.00 0.00 H ATOM 1344 N TRP A 195 -5.125 7.453 3.002 1.00 16.33 N ATOM 1345 CA TRP A 195 -5.404 6.044 2.792 1.00 16.83 C ATOM 1346 C TRP A 195 -6.021 5.431 4.041 1.00 13.89 C ATOM 1347 O TRP A 195 -6.664 4.379 3.947 1.00 18.91 O ATOM 1348 CB TRP A 195 -4.102 5.305 2.385 1.00 16.03 C ATOM 1349 CG TRP A 195 -3.681 5.675 0.998 1.00 14.06 C ATOM 1350 CD1 TRP A 195 -2.696 6.530 0.613 1.00 23.37 C ATOM 1351 CD2 TRP A 195 -4.371 5.282 -0.192 1.00 16.17 C ATOM 1352 NE1 TRP A 195 -2.698 6.657 -0.763 1.00 19.38 N ATOM 1353 CE2 TRP A 195 -3.717 5.922 -1.282 1.00 16.60 C ATOM 1354 CE3 TRP A 195 -5.466 4.439 -0.438 1.00 20.91 C ATOM 1355 CZ2 TRP A 195 -4.092 5.701 -2.624 1.00 15.26 C ATOM 1356 CZ3 TRP A 195 -5.851 4.241 -1.764 1.00 20.78 C ATOM 1357 CH2 TRP A 195 -5.131 4.861 -2.833 1.00 20.30 C ATOM 1358 HE1 TRP A 195 -2.025 7.226 -1.315 1.00 0.00 H ATOM 1359 H TRP A 195 -4.147 7.805 2.979 1.00 0.00 H ATOM 1360 N ASP A 196 -5.814 6.036 5.225 1.00 15.59 N ATOM 1361 CA ASP A 196 -6.458 5.466 6.398 1.00 18.30 C ATOM 1362 C ASP A 196 -7.982 5.540 6.279 1.00 18.32 C ATOM 1363 O ASP A 196 -8.691 4.625 6.727 1.00 18.69 O ATOM 1364 CB ASP A 196 -5.982 6.182 7.654 1.00 22.86 C ATOM 1365 CG ASP A 196 -6.355 5.438 8.911 1.00 29.89 C ATOM 1366 OD1 ASP A 196 -7.164 5.954 9.681 1.00 32.33 O ATOM 1367 OD2 ASP A 196 -5.843 4.315 9.137 1.00 31.78 O ATOM 1368 H ASP A 196 -5.214 6.882 5.299 1.00 0.00 H ATOM 1369 N ALA A 197 -8.499 6.620 5.677 1.00 16.04 N ATOM 1370 CA ALA A 197 -9.952 6.704 5.539 1.00 16.26 C ATOM 1371 C ALA A 197 -10.428 5.716 4.509 1.00 14.02 C ATOM 1372 O ALA A 197 -11.442 5.059 4.721 1.00 15.26 O ATOM 1373 CB ALA A 197 -10.383 8.095 5.103 1.00 14.02 C ATOM 1374 H ALA A 197 -7.884 7.377 5.318 1.00 0.00 H ATOM 1375 N PHE A 198 -9.674 5.582 3.406 1.00 13.06 N ATOM 1376 CA PHE A 198 -9.964 4.532 2.401 1.00 13.31 C ATOM 1377 C PHE A 198 -10.013 3.153 3.038 1.00 13.90 C ATOM 1378 O PHE A 198 -10.962 2.396 2.823 1.00 14.08 O ATOM 1379 CB PHE A 198 -8.879 4.599 1.316 1.00 11.70 C ATOM 1380 CG PHE A 198 -9.041 3.525 0.263 1.00 12.95 C ATOM 1381 CD1 PHE A 198 -10.015 3.635 -0.711 1.00 12.35 C ATOM 1382 CD2 PHE A 198 -8.205 2.419 0.256 1.00 15.77 C ATOM 1383 CE1 PHE A 198 -10.188 2.619 -1.674 1.00 14.81 C ATOM 1384 CE2 PHE A 198 -8.369 1.381 -0.685 1.00 20.29 C ATOM 1385 CZ PHE A 198 -9.335 1.484 -1.641 1.00 15.53 C ATOM 1386 H PHE A 198 -8.872 6.227 3.254 1.00 0.00 H ATOM 1387 N VAL A 199 -9.081 2.858 3.948 1.00 14.99 N ATOM 1388 CA VAL A 199 -9.125 1.568 4.588 1.00 19.46 C ATOM 1389 C VAL A 199 -10.330 1.455 5.481 1.00 20.71 C ATOM 1390 O VAL A 199 -11.004 0.418 5.488 1.00 23.73 O ATOM 1391 CB VAL A 199 -7.815 1.308 5.360 1.00 22.20 C ATOM 1392 CG1 VAL A 199 -7.962 0.099 6.259 1.00 28.05 C ATOM 1393 CG2 VAL A 199 -6.718 1.104 4.302 1.00 18.26 C ATOM 1394 H VAL A 199 -8.339 3.545 4.190 1.00 0.00 H ATOM 1395 N GLU A 200 -10.663 2.532 6.242 1.00 17.54 N ATOM 1396 CA GLU A 200 -11.839 2.435 7.127 1.00 20.98 C ATOM 1397 C GLU A 200 -13.124 2.253 6.328 1.00 24.19 C ATOM 1398 O GLU A 200 -14.034 1.527 6.759 1.00 25.19 O ATOM 1399 CB GLU A 200 -11.955 3.686 8.014 1.00 22.38 C ATOM 1400 CG GLU A 200 -13.251 3.662 8.805 1.00 27.62 C ATOM 1401 CD GLU A 200 -13.221 4.617 9.997 1.00 45.84 C ATOM 1402 OE1 GLU A 200 -12.097 4.945 10.457 1.00 51.63 O ATOM 1403 OE2 GLU A 200 -14.321 5.031 10.469 1.00 47.22 O ATOM 1404 H GLU A 200 -10.100 3.406 6.201 1.00 0.00 H ATOM 1405 N LEU A 201 -13.210 2.892 5.154 1.00 19.23 N ATOM 1406 CA LEU A 201 -14.420 2.843 4.330 1.00 16.06 C ATOM 1407 C LEU A 201 -14.563 1.492 3.659 1.00 23.84 C ATOM 1408 O LEU A 201 -15.634 0.914 3.681 1.00 23.28 O ATOM 1409 CB LEU A 201 -14.407 3.964 3.244 1.00 15.23 C ATOM 1410 CG LEU A 201 -14.587 5.371 3.894 1.00 17.43 C ATOM 1411 CD1 LEU A 201 -14.286 6.371 2.801 1.00 15.09 C ATOM 1412 CD2 LEU A 201 -16.030 5.542 4.302 1.00 18.75 C ATOM 1413 H LEU A 201 -12.393 3.440 4.817 1.00 0.00 H ATOM 1414 N TYR A 202 -13.505 1.011 3.022 1.00 21.67 N ATOM 1415 CA TYR A 202 -13.612 -0.101 2.098 1.00 22.68 C ATOM 1416 C TYR A 202 -12.776 -1.300 2.492 1.00 25.87 C ATOM 1417 O TYR A 202 -12.770 -2.295 1.741 1.00 32.03 O ATOM 1418 CB TYR A 202 -13.206 0.356 0.699 1.00 19.89 C ATOM 1419 CG TYR A 202 -13.996 1.584 0.252 1.00 16.24 C ATOM 1420 CD1 TYR A 202 -15.385 1.540 0.038 1.00 22.03 C ATOM 1421 CD2 TYR A 202 -13.362 2.791 0.106 1.00 15.73 C ATOM 1422 CE1 TYR A 202 -16.076 2.688 -0.348 1.00 17.86 C ATOM 1423 CE2 TYR A 202 -14.043 3.900 -0.313 1.00 17.91 C ATOM 1424 CZ TYR A 202 -15.413 3.859 -0.484 1.00 20.31 C ATOM 1425 OH TYR A 202 -16.033 5.059 -0.866 1.00 26.01 O ATOM 1426 HH TYR A 202 -17.008 4.911 -0.958 1.00 0.00 H ATOM 1427 H TYR A 202 -12.574 1.443 3.189 1.00 0.00 H ATOM 1428 N GLY A 203 -12.114 -1.286 3.648 1.00 21.99 N ATOM 1429 CA GLY A 203 -11.304 -2.435 4.063 1.00 23.75 C ATOM 1430 C GLY A 203 -11.957 -3.359 5.082 1.00 34.65 C ATOM 1431 O GLY A 203 -13.171 -3.256 5.316 1.00 42.05 O ATOM 1432 H GLY A 203 -12.173 -0.450 4.263 1.00 0.00 H TER 1433 GLY A 203 HETATM 1434 O HOH 1 -12.052 14.379 -21.234 1.00 37.74 O HETATM 1435 O HOH 2 -15.980 2.220 -21.006 1.00 49.65 O HETATM 1436 O HOH 3 -15.628 7.759 -2.579 1.00 30.64 O HETATM 1437 O HOH 4 -12.219 -8.347 -4.226 1.00 28.33 O HETATM 1438 O HOH 5 -1.259 8.728 -1.660 1.00 29.26 O HETATM 1439 O HOH 6 11.828 -12.535 -2.673 1.00 48.70 O HETATM 1440 O HOH 7 -5.906 4.051 -27.870 1.00 44.35 O HETATM 1441 O HOH 8 1.969 9.100 5.133 1.00 47.94 O HETATM 1442 O HOH 9 -18.481 5.172 -0.483 1.00 36.50 O HETATM 1443 O HOH 10 -2.431 -4.606 -26.270 1.00 34.25 O HETATM 1444 O HOH 11 -10.596 18.459 -18.354 1.00 43.90 O HETATM 1445 O HOH 12 -4.808 -8.713 -12.941 1.00 29.08 O HETATM 1446 O HOH 13 -3.967 8.418 6.001 1.00 37.69 O HETATM 1447 O HOH 14 -19.728 1.649 -17.108 1.00 35.62 O HETATM 1448 O HOH 15 11.396 -10.786 -13.092 1.00 44.82 O HETATM 1449 O HOH 16 8.121 -8.701 -32.301 1.00 40.34 O HETATM 1450 O HOH 17 4.902 13.328 -18.897 1.00 51.89 O HETATM 1451 O HOH 18 6.430 -8.163 -10.731 1.00 35.32 O HETATM 1452 O HOH 19 8.343 -10.517 -12.140 1.00 27.65 O HETATM 1453 O HOH 20 7.904 -7.746 -18.152 1.00 36.87 O HETATM 1454 O HOH 21 -6.788 -5.606 -7.865 1.00 30.24 O HETATM 1455 O HOH 22 -23.554 -6.260 -16.789 1.00 27.06 O HETATM 1456 O HOH 23 -8.320 -6.823 -12.365 1.00 31.72 O HETATM 1457 O HOH 24 -18.047 -9.803 -13.785 1.00 28.34 O HETATM 1458 O HOH 25 -5.458 13.884 -24.926 1.00 18.30 O HETATM 1459 O HOH 26 1.959 -7.105 -4.394 1.00 29.10 O HETATM 1460 O HOH 27 9.835 -8.664 -28.510 1.00 21.27 O HETATM 1461 O HOH 28 7.660 -9.299 -20.152 1.00 36.12 O HETATM 1462 O HOH 29 -3.278 -13.970 -18.512 1.00 17.31 O HETATM 1463 O HOH 30 9.321 2.832 -12.450 1.00 20.26 O HETATM 1464 O HOH 31 -23.063 0.546 -12.310 1.00 15.94 O HETATM 1465 O HOH 32 -5.686 -10.301 -2.123 1.00 46.55 O HETATM 1466 O HOH 33 3.965 5.623 -32.413 1.00 31.46 O HETATM 1467 O HOH 34 -5.345 16.841 -5.329 1.00 20.83 O HETATM 1468 O HOH 35 -8.487 -11.438 2.358 1.00 51.15 O HETATM 1469 O HOH 36 4.615 -9.830 -11.777 1.00 37.62 O HETATM 1470 O HOH 37 -3.692 -16.057 -10.828 1.00 32.93 O HETATM 1471 O HOH 38 12.188 0.522 -18.598 1.00 35.44 O HETATM 1472 O HOH 39 2.309 -15.476 -11.919 1.00 41.23 O HETATM 1473 O HOH 40 -19.923 8.343 -6.084 1.00 39.48 O HETATM 1474 O HOH 41 -3.285 19.137 2.250 1.00 27.52 O HETATM 1475 O HOH 42 -9.260 13.230 -22.139 1.00 25.51 O HETATM 1476 O HOH 43 -18.585 -2.223 -17.572 1.00 28.94 O HETATM 1477 O HOH 44 -0.755 -1.359 -3.134 1.00 14.43 O HETATM 1478 O HOH 45 -4.094 13.926 -17.847 1.00 18.73 O HETATM 1479 O HOH 46 -17.787 -8.250 -7.543 1.00 39.50 O HETATM 1480 O HOH 47 -18.060 4.916 -16.294 1.00 28.48 O HETATM 1481 O HOH 48 -9.660 -9.918 -4.252 1.00 32.19 O HETATM 1482 O HOH 49 -12.917 9.985 2.645 1.00 16.28 O HETATM 1483 O HOH 50 5.447 -15.273 -16.795 1.00 25.96 O HETATM 1484 O HOH 51 -0.454 11.360 -2.366 1.00 29.46 O HETATM 1485 O HOH 52 -4.414 10.116 -30.610 1.00 39.58 O HETATM 1486 O HOH 53 -5.287 13.006 6.254 1.00 36.84 O HETATM 1487 O HOH 54 2.699 2.542 2.032 1.00 26.69 O HETATM 1488 O HOH 55 -11.145 -3.603 -0.400 1.00 33.44 O HETATM 1489 O HOH 56 -2.450 20.546 -4.633 1.00 34.51 O HETATM 1490 O HOH 57 -1.571 12.160 0.006 1.00 39.96 O HETATM 1491 O HOH 58 14.274 -5.146 -16.862 1.00 20.45 O HETATM 1492 O HOH 59 -8.501 2.780 8.896 1.00 40.89 O HETATM 1493 O HOH 60 4.938 7.977 -24.364 1.00 20.46 O HETATM 1494 O HOH 61 -5.936 -3.998 -13.813 1.00 14.37 O HETATM 1495 O HOH 62 9.785 -3.584 -17.379 1.00 27.76 O HETATM 1496 O HOH 63 -1.733 -3.795 -3.530 1.00 17.56 O HETATM 1497 O HOH 64 6.264 -5.750 -4.848 1.00 31.86 O HETATM 1498 O HOH 65 11.662 -3.611 -14.682 1.00 23.82 O HETATM 1499 O HOH 66 -2.319 -1.951 -26.747 1.00 35.38 O HETATM 1500 O HOH 67 0.673 -10.683 -1.147 1.00 50.08 O HETATM 1501 O HOH 68 -15.308 8.564 -13.854 1.00 31.17 O HETATM 1502 O HOH 69 10.368 -6.264 -27.772 1.00 33.95 O HETATM 1503 O HOH 70 8.208 5.553 3.082 1.00 28.36 O HETATM 1504 O HOH 71 -17.892 1.783 5.371 1.00 41.55 O HETATM 1505 O HOH 72 -0.284 19.613 -9.098 1.00 59.61 O HETATM 1506 O HOH 73 8.545 8.505 -18.759 1.00 26.42 O HETATM 1507 O HOH 74 11.326 7.328 -5.802 1.00 33.96 O HETATM 1508 O HOH 75 -4.794 -6.051 -15.040 1.00 32.37 O HETATM 1509 O HOH 76 14.251 -8.449 -9.765 1.00 38.64 O HETATM 1510 O HOH 77 -4.004 -11.453 -19.990 1.00 25.90 O HETATM 1511 O HOH 78 12.261 5.474 -20.283 1.00 42.70 O HETATM 1512 O HOH 79 -2.458 17.735 -5.293 1.00 18.83 O HETATM 1513 O HOH 80 -1.717 12.745 -16.867 1.00 37.83 O HETATM 1514 O HOH 81 -12.539 -8.770 -15.466 1.00 50.87 O HETATM 1515 O HOH 82 -2.407 9.017 3.155 1.00 24.75 O HETATM 1516 O HOH 83 6.434 -17.341 -16.526 1.00 81.05 O HETATM 1517 O HOH 84 -13.630 1.390 -21.672 1.00 36.23 O HETATM 1518 O HOH 85 -0.285 -6.082 -2.961 1.00 26.92 O HETATM 1519 O HOH 86 -11.664 16.738 -7.038 1.00 39.50 O HETATM 1520 O HOH 87 -12.978 -4.464 8.482 1.00 61.54 O HETATM 1521 O HOH 88 1.695 9.996 1.030 1.00 35.86 O HETATM 1522 O HOH 89 -11.174 -5.370 7.123 1.00 62.30 O HETATM 1523 O HOH 90 1.322 -9.780 -4.680 1.00 53.38 O HETATM 1524 O HOH 91 -0.702 9.642 0.918 1.00 43.83 O HETATM 1525 O HOH 92 8.648 -5.781 -31.261 1.00 47.04 O HETATM 1526 O HOH 93 -6.686 19.056 -5.012 1.00 44.33 O HETATM 1527 O HOH 94 9.003 7.683 -7.368 1.00 42.03 O HETATM 1528 O HOH 95 6.919 11.276 -20.709 1.00 51.85 O HETATM 1529 O HOH 96 -20.743 -4.755 -25.316 1.00 44.73 O HETATM 1530 O HOH 97 6.939 9.622 -23.038 1.00 42.23 O HETATM 1531 O HOH 98 -8.927 17.342 -7.014 1.00 54.70 O HETATM 1532 C11 LBM A 99 -11.257 0.563 -17.688 1.00 -0.06 C HETATM 1533 C12 LBM A 99 -12.068 1.601 -18.086 1.00 -0.07 C HETATM 1534 C7 LBM A 99 -12.176 2.749 -17.301 1.00 -0.05 C HETATM 1535 C5 LBM A 99 -12.985 3.894 -17.766 1.00 -0.05 C HETATM 1536 C4 LBM A 99 -14.324 4.038 -17.495 1.00 -0.01 C HETATM 1537 C13 LBM A 99 -15.016 3.049 -16.596 1.00 0.00 C HETATM 1538 N LBM A 99 -15.744 3.650 -15.461 1.00 0.25 N HETATM 1539 C14 LBM A 99 -14.826 4.386 -14.562 1.00 -0.01 C HETATM 1540 C15 LBM A 99 -15.567 4.997 -13.367 1.00 0.07 C HETATM 1541 N1 LBM A 99 -16.299 3.956 -12.630 1.00 -0.30 N HETATM 1542 C16 LBM A 99 -17.193 3.210 -13.518 1.00 0.07 C HETATM 1543 C17 LBM A 99 -16.415 2.594 -14.667 1.00 -0.01 C HETATM 1544 H11 LBM A 99 -17.107 2.037 -15.316 1.00 0.08 H HETATM 1545 H12 LBM A 99 -15.657 1.907 -14.264 1.00 0.08 H HETATM 1546 H9 LBM A 99 -17.686 2.410 -12.946 1.00 0.06 H HETATM 1547 H10 LBM A 99 -17.954 3.894 -13.922 1.00 0.06 H HETATM 1548 C18 LBM A 99 -16.706 4.120 -11.318 1.00 0.04 C HETATM 1549 C19 LBM A 99 -17.374 3.104 -10.661 1.00 -0.01 C HETATM 1550 C20 LBM A 99 -17.768 3.250 -9.353 1.00 0.12 C HETATM 1551 C21 LBM A 99 -17.503 4.407 -8.620 1.00 0.07 C HETATM 1552 C22 LBM A 99 -16.797 5.423 -9.278 1.00 -0.06 C HETATM 1553 C23 LBM A 99 -16.412 5.288 -10.599 1.00 -0.05 C HETATM 1554 H15 LBM A 99 -15.876 6.095 -11.085 1.00 0.04 H HETATM 1555 H14 LBM A 99 -16.548 6.331 -8.741 1.00 0.06 H HETATM 1556 C24 LBM A 99 -17.906 4.594 -7.187 1.00 0.21 C HETATM 1557 O LBM A 99 -18.833 3.961 -6.668 1.00 -0.39 O HETATM 1558 N2 LBM A 99 -17.170 5.496 -6.444 1.00 -0.16 N HETATM 1559 S LBM A 99 -17.296 5.555 -4.845 1.00 0.09 S HETATM 1560 C25 LBM A 99 -16.930 3.891 -4.309 1.00 0.11 C HETATM 1561 C26 LBM A 99 -15.600 3.560 -4.052 1.00 -0.00 C HETATM 1562 C27 LBM A 99 -15.290 2.265 -3.678 1.00 0.22 C HETATM 1563 C28 LBM A 99 -16.272 1.248 -3.534 1.00 0.08 C HETATM 1564 C29 LBM A 99 -17.597 1.627 -3.827 1.00 -0.03 C HETATM 1565 C30 LBM A 99 -17.925 2.938 -4.187 1.00 -0.04 C HETATM 1566 H28 LBM A 99 -18.959 3.207 -4.370 1.00 0.06 H HETATM 1567 H17 LBM A 99 -18.383 0.883 -3.772 1.00 0.05 H HETATM 1568 N3 LBM A 99 -15.932 -0.024 -3.108 1.00 -0.32 N HETATM 1569 C31 LBM A 99 -16.871 -1.130 -2.975 1.00 0.03 C HETATM 1570 C32 LBM A 99 -16.274 -2.217 -2.092 1.00 -0.02 C HETATM 1571 C33 LBM A 99 -17.056 -3.520 -2.213 1.00 -0.02 C HETATM 1572 C34 LBM A 99 -16.414 -4.586 -1.351 1.00 0.05 C HETATM 1573 O3 LBM A 99 -15.061 -4.812 -1.733 1.00 -0.38 O HETATM 1574 C35 LBM A 99 -14.299 -3.618 -1.540 1.00 0.05 C HETATM 1575 C36 LBM A 99 -14.820 -2.499 -2.411 1.00 -0.02 C HETATM 1576 H36 LBM A 99 -14.226 -1.591 -2.229 1.00 0.03 H HETATM 1577 H37 LBM A 99 -14.730 -2.790 -3.468 1.00 0.03 H HETATM 1578 H34 LBM A 99 -14.367 -3.314 -0.485 1.00 0.06 H HETATM 1579 H35 LBM A 99 -13.248 -3.816 -1.798 1.00 0.06 H HETATM 1580 H32 LBM A 99 -16.979 -5.524 -1.460 1.00 0.06 H HETATM 1581 H33 LBM A 99 -16.441 -4.262 -0.300 1.00 0.06 H HETATM 1582 H30 LBM A 99 -17.056 -3.850 -3.262 1.00 0.03 H HETATM 1583 H31 LBM A 99 -18.092 -3.357 -1.880 1.00 0.03 H HETATM 1584 H29 LBM A 99 -16.335 -1.870 -1.050 1.00 0.03 H HETATM 1585 H18 LBM A 99 -17.803 -0.763 -2.521 1.00 0.05 H HETATM 1586 H19 LBM A 99 -17.086 -1.546 -3.970 1.00 0.05 H HETATM 1587 H50 LBM A 99 -14.946 -0.201 -2.868 1.00 0.18 H HETATM 1588 N4 LBM A 99 -13.869 1.997 -3.491 1.00 0.31 N HETATM 1589 O4 LBM A 99 -13.510 0.888 -3.144 1.00 0.17 O HETATM 1590 O5 LBM A 99 -13.085 2.926 -3.666 1.00 0.17 O HETATM 1591 H16 LBM A 99 -14.820 4.307 -4.144 1.00 0.07 H HETATM 1592 O1 LBM A 99 -18.660 5.865 -4.468 1.00 -0.15 O HETATM 1593 O2 LBM A 99 -16.251 6.423 -4.400 1.00 -0.15 O HETATM 1594 H49 LBM A 99 -16.547 6.124 -6.911 1.00 0.21 H HETATM 1595 O6 LBM A 99 -18.411 2.202 -8.721 1.00 -0.26 O HETATM 1596 C37 LBM A 99 -17.698 1.241 -8.034 1.00 0.13 C HETATM 1597 C38 LBM A 99 -18.310 0.057 -7.672 1.00 0.03 C HETATM 1598 N5 LBM A 99 -17.678 -0.943 -7.043 1.00 -0.29 N HETATM 1599 C39 LBM A 99 -16.385 -0.706 -6.699 1.00 0.13 C HETATM 1600 C40 LBM A 99 -15.690 0.485 -6.997 1.00 -0.01 C HETATM 1601 C41 LBM A 99 -16.360 1.475 -7.708 1.00 -0.02 C HETATM 1602 H39 LBM A 99 -15.863 2.393 -7.998 1.00 0.06 H HETATM 1603 C42 LBM A 99 -14.325 0.282 -6.522 1.00 -0.06 C HETATM 1604 C43 LBM A 99 -14.280 -0.975 -6.005 1.00 0.02 C HETATM 1605 N6 LBM A 99 -15.525 -1.583 -6.106 1.00 -0.27 N HETATM 1606 H51 LBM A 99 -15.759 -2.534 -5.787 1.00 0.23 H HETATM 1607 H41 LBM A 99 -13.394 -1.439 -5.573 1.00 0.10 H HETATM 1608 H40 LBM A 99 -13.504 0.996 -6.572 1.00 0.03 H HETATM 1609 H38 LBM A 99 -19.360 -0.070 -7.910 1.00 0.07 H HETATM 1610 H13 LBM A 99 -17.590 2.180 -11.185 1.00 0.05 H HETATM 1611 H7 LBM A 99 -16.279 5.753 -13.730 1.00 0.06 H HETATM 1612 H8 LBM A 99 -14.839 5.473 -12.694 1.00 0.06 H HETATM 1613 H5 LBM A 99 -14.060 3.690 -14.188 1.00 0.08 H HETATM 1614 H6 LBM A 99 -14.342 5.193 -15.131 1.00 0.08 H HETATM 1615 H20 LBM A 99 -16.436 4.288 -15.822 1.00 0.21 H HETATM 1616 H3 LBM A 99 -15.736 2.481 -17.203 1.00 0.10 H HETATM 1617 H4 LBM A 99 -14.256 2.364 -16.192 1.00 0.10 H HETATM 1618 C3 LBM A 99 -15.181 5.084 -18.163 1.00 -0.01 C HETATM 1619 C2 LBM A 99 -14.451 5.636 -19.379 1.00 -0.04 C HETATM 1620 C1 LBM A 99 -13.032 6.096 -19.029 1.00 -0.03 C HETATM 1621 C LBM A 99 -12.377 6.743 -20.249 1.00 -0.06 C HETATM 1622 H21 LBM A 99 -12.961 7.624 -20.554 1.00 0.02 H HETATM 1623 H22 LBM A 99 -12.347 6.019 -21.076 1.00 0.02 H HETATM 1624 H23 LBM A 99 -11.352 7.052 -19.994 1.00 0.02 H HETATM 1625 C44 LBM A 99 -13.073 7.104 -17.884 1.00 -0.06 C HETATM 1626 H42 LBM A 99 -12.049 7.426 -17.642 1.00 0.02 H HETATM 1627 H43 LBM A 99 -13.528 6.635 -16.999 1.00 0.02 H HETATM 1628 H44 LBM A 99 -13.671 7.977 -18.185 1.00 0.02 H HETATM 1629 C6 LBM A 99 -12.220 4.870 -18.604 1.00 -0.03 C HETATM 1630 H45 LBM A 99 -11.350 5.215 -18.026 1.00 0.03 H HETATM 1631 H46 LBM A 99 -11.876 4.352 -19.511 1.00 0.03 H HETATM 1632 H24 LBM A 99 -14.392 4.850 -20.146 1.00 0.03 H HETATM 1633 H25 LBM A 99 -15.016 6.493 -19.775 1.00 0.03 H HETATM 1634 H26 LBM A 99 -16.132 4.631 -18.480 1.00 0.05 H HETATM 1635 H27 LBM A 99 -15.382 5.901 -17.454 1.00 0.05 H HETATM 1636 C8 LBM A 99 -11.499 2.799 -16.084 1.00 -0.07 C HETATM 1637 C9 LBM A 99 -10.710 1.751 -15.672 1.00 -0.06 C HETATM 1638 C10 LBM A 99 -10.578 0.631 -16.479 1.00 0.03 C HETATM 1639 CL LBM A 99 -9.620 -0.707 -15.950 1.00 -0.08 CL HETATM 1640 H48 LBM A 99 -10.193 1.800 -14.720 1.00 0.06 H HETATM 1641 H47 LBM A 99 -11.596 3.676 -15.454 1.00 0.05 H HETATM 1642 H2 LBM A 99 -12.625 1.526 -19.013 1.00 0.05 H HETATM 1643 H1 LBM A 99 -11.148 -0.311 -18.320 1.00 0.06 H CONECT 1 2 14 15 16 CONECT 14 1 CONECT 15 1 CONECT 16 1 CONECT 291 292 298 299 300 CONECT 298 291 CONECT 299 291 CONECT 300 291 CONECT 1532 1533 1638 1643 CONECT 1533 1532 1534 1642 CONECT 1534 1533 1535 1636 CONECT 1535 1534 1536 1629 CONECT 1536 1535 1537 1618 CONECT 1537 1536 1538 1616 1617 CONECT 1538 1537 1539 1543 1615 CONECT 1539 1538 1540 1613 1614 CONECT 1540 1539 1541 1611 1612 CONECT 1541 1540 1542 1548 CONECT 1542 1541 1543 1546 1547 CONECT 1543 1538 1542 1544 1545 CONECT 1544 1543 CONECT 1545 1543 CONECT 1546 1542 CONECT 1547 1542 CONECT 1548 1541 1549 1553 CONECT 1549 1548 1550 1610 CONECT 1550 1549 1551 1595 CONECT 1551 1550 1552 1556 CONECT 1552 1551 1553 1555 CONECT 1553 1548 1552 1554 CONECT 1554 1553 CONECT 1555 1552 CONECT 1556 1551 1557 1558 CONECT 1557 1556 CONECT 1558 1556 1559 1594 CONECT 1559 1558 1560 1592 1593 CONECT 1560 1559 1561 1565 CONECT 1561 1560 1562 1591 CONECT 1562 1561 1563 1588 CONECT 1563 1562 1564 1568 CONECT 1564 1563 1565 1567 CONECT 1565 1560 1564 1566 CONECT 1566 1565 CONECT 1567 1564 CONECT 1568 1563 1569 1587 CONECT 1569 1568 1570 1585 1586 CONECT 1570 1569 1571 1575 1584 CONECT 1571 1570 1572 1582 1583 CONECT 1572 1571 1573 1580 1581 CONECT 1573 1572 1574 CONECT 1574 1573 1575 1578 1579 CONECT 1575 1570 1574 1576 1577 CONECT 1576 1575 CONECT 1577 1575 CONECT 1578 1574 CONECT 1579 1574 CONECT 1580 1572 CONECT 1581 1572 CONECT 1582 1571 CONECT 1583 1571 CONECT 1584 1570 CONECT 1585 1569 CONECT 1586 1569 CONECT 1587 1568 CONECT 1588 1562 1589 1590 CONECT 1589 1588 CONECT 1590 1588 CONECT 1591 1561 CONECT 1592 1559 CONECT 1593 1559 CONECT 1594 1558 CONECT 1595 1550 1596 CONECT 1596 1595 1597 1601 CONECT 1597 1596 1598 1609 CONECT 1598 1597 1599 CONECT 1599 1598 1600 1605 CONECT 1600 1599 1601 1603 CONECT 1601 1596 1600 1602 CONECT 1602 1601 CONECT 1603 1600 1604 1608 CONECT 1604 1603 1605 1607 CONECT 1605 1599 1604 1606 CONECT 1606 1605 CONECT 1607 1604 CONECT 1608 1603 CONECT 1609 1597 CONECT 1610 1549 CONECT 1611 1540 CONECT 1612 1540 CONECT 1613 1539 CONECT 1614 1539 CONECT 1615 1538 CONECT 1616 1537 CONECT 1617 1537 CONECT 1618 1536 1619 1634 1635 CONECT 1619 1618 1620 1632 1633 CONECT 1620 1619 1621 1625 1629 CONECT 1621 1620 1622 1623 1624 CONECT 1622 1621 CONECT 1623 1621 CONECT 1624 1621 CONECT 1625 1620 1626 1627 1628 CONECT 1626 1625 CONECT 1627 1625 CONECT 1628 1625 CONECT 1629 1535 1620 1630 1631 CONECT 1630 1629 CONECT 1631 1629 CONECT 1632 1619 CONECT 1633 1619 CONECT 1634 1618 CONECT 1635 1618 CONECT 1636 1534 1637 1641 CONECT 1637 1636 1638 1640 CONECT 1638 1532 1637 1639 CONECT 1639 1638 CONECT 1640 1637 CONECT 1641 1636 CONECT 1642 1533 CONECT 1643 1532 MASTER 0 0 0 0 0 0 0 0 1641 2 120 12 END
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Related entries of code: 6o0k
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
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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%
6gl8
RCSB PDB
PDBbind
172aa, >6GL8_1|Chain... *
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%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
6o0p
RCSB PDB
PDBbind
LBM
6o0m
RCSB PDB
PDBbind
LBM
Entry Information
PDB ID
6o0k
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
BCL-2
Ligand Name
LBM
EC.Number
E.C.-.-.-.-
Resolution
1.62(Å)
Affinity (Kd/Ki/IC50)
Ki=0.018nM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Nat Commun Vol. 10: pp. 2385-2385
Ligand Properties
Formula
C
4
5
H
5
1
ClN
7
O
7
S
Molecular Weight
869.447
Exact Mass
868.326
No. of atoms
112
No. of bonds
119
Polar Surface Area
184.29
LOGP Value
8.18 (
Computed with XLOGP3
)
10.94 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 13
No. of Nitrogen and Oxygen Atoms: 14
No. of Rings: 8
Canonical SMILES
Clc1ccc(cc1)C1=C(CCC(C1)(C)C)C[NH+]1CCN(CC1)c1ccc(c(c1)Oc1cnc2c(c1)cc[nH]2)C(=O)NS(=O)(=O)c1ccc(c(c1)N(=O)=O)NCC1CCOCC1
InChI String
InChI=1S/C45H50ClN7O7S/c1-45(2)15-11-33(39(26-45)31-3-5-34(46)6-4-31)29-51-17-19-52(20-18-51)35-7-9-38(42(24-35)60-36-23-32-12-16-47-43(32)49-28-36)44(54)50-61(57,58)37-8-10-40(41(25-37)53(55)56)48-27-30-13-21-59-22-14-30/h3-10,12,16,23-25,28,30,48H,11,13-15,17-22,26-27,29H2,1-2H3,(H,47,49)(H,50,54)/p+1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P10415
Q07817
Entrez Gene ID
NCBI Entrez Gene ID:
596
598
ASD
Information of known allosteric effects of PDB entries
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