Browse entries in the PDBbind-CN Database
HEADER 5F29_COMPLEX COMPND 5F29_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 70 THR SER LEU TYR GLU ILE GLN MSE LEU ASN TYR LYS TYR SEQRES 2 A 70 GLU ASN ILE GLN LEU ARG ASN PHE PRO PHE GLY GLY ASP SEQRES 3 A 70 ILE ILE PHE VAL ARG ILE ILE ARG ASN ASN GLU SER ILE SEQRES 4 A 70 VAL PRO HIS GLY ASP THR GLN LEU ARG TYR GLY ASP ARG SEQRES 5 A 70 LEU ILE VAL THR GLY ALA LYS GLU TYR VAL ASP GLU LEU SEQRES 6 A 70 LYS GLN GLU LEU GLU SEQRES 1 B 71 THR SER LEU TYR GLU ILE GLN MSE LEU ASN TYR LYS TYR SEQRES 2 B 71 GLU ASN ILE GLN LEU ARG ASN PHE PRO PHE GLY GLY ASP SEQRES 3 B 71 ILE ILE PHE VAL ARG ILE ILE ARG ASN ASN GLU SER ILE SEQRES 4 B 71 VAL PRO HIS GLY ASP THR GLN LEU ARG TYR GLY ASP ARG SEQRES 5 B 71 LEU ILE VAL THR GLY ALA LYS GLU TYR VAL ASP GLU LEU SEQRES 6 B 71 LYS GLN GLU LEU GLU PHE HET MSE A 150 9 HET MSE B 150 9 HET UNN A 199 67 ATOM 1 N THR A 143 -4.500 -8.143 1.530 1.00 45.50 N ATOM 2 CA THR A 143 -3.973 -7.749 0.225 1.00 47.30 C ATOM 3 C THR A 143 -2.916 -6.639 0.322 1.00 46.92 C ATOM 4 O THR A 143 -3.022 -5.730 1.142 1.00 39.69 O ATOM 5 CB THR A 143 -5.104 -7.411 -0.791 1.00 42.64 C ATOM 6 OG1 THR A 143 -4.972 -6.060 -1.261 1.00 57.63 O ATOM 7 CG2 THR A 143 -6.453 -7.635 -0.188 1.00 34.39 C ATOM 8 HG1 THR A 143 -5.698 -5.863 -1.905 1.00 0.00 H ATOM 9 HN3 THR A 143 -4.943 -7.320 1.986 1.00 0.00 H ATOM 10 HN2 THR A 143 -3.723 -8.494 2.125 1.00 0.00 H ATOM 11 HN1 THR A 143 -5.208 -8.894 1.404 1.00 0.00 H ATOM 12 N SER A 144 -1.873 -6.742 -0.495 1.00 33.75 N ATOM 13 CA SER A 144 -0.814 -5.732 -0.477 1.00 37.68 C ATOM 14 C SER A 144 -0.627 -5.069 -1.846 1.00 41.32 C ATOM 15 O SER A 144 -0.060 -3.979 -1.939 1.00 40.92 O ATOM 16 CB SER A 144 0.510 -6.302 0.031 1.00 40.31 C ATOM 17 OG SER A 144 1.142 -7.085 -0.956 1.00 47.50 O ATOM 18 HG SER A 144 1.994 -7.439 -0.599 1.00 0.00 H ATOM 19 H SER A 144 -1.809 -7.546 -1.152 1.00 0.00 H ATOM 20 N LEU A 145 -1.095 -5.734 -2.900 1.00 40.16 N ATOM 21 CA LEU A 145 -1.092 -5.161 -4.256 1.00 32.49 C ATOM 22 C LEU A 145 -2.522 -4.794 -4.619 1.00 35.37 C ATOM 23 O LEU A 145 -3.409 -5.654 -4.679 1.00 41.24 O ATOM 24 CB LEU A 145 -0.510 -6.163 -5.266 1.00 27.77 C ATOM 25 CG LEU A 145 0.958 -6.545 -5.057 1.00 27.54 C ATOM 26 CD1 LEU A 145 1.399 -7.673 -5.986 1.00 34.62 C ATOM 27 CD2 LEU A 145 1.860 -5.354 -5.225 1.00 34.95 C ATOM 28 H LEU A 145 -1.476 -6.692 -2.761 1.00 0.00 H ATOM 29 N TYR A 146 -2.756 -3.501 -4.814 1.00 34.01 N ATOM 30 CA TYR A 146 -4.064 -3.004 -5.155 1.00 33.21 C ATOM 31 C TYR A 146 -4.045 -2.540 -6.599 1.00 36.14 C ATOM 32 O TYR A 146 -2.988 -2.217 -7.144 1.00 34.20 O ATOM 33 CB TYR A 146 -4.420 -1.818 -4.247 1.00 37.61 C ATOM 34 CG TYR A 146 -4.372 -2.127 -2.769 1.00 45.08 C ATOM 35 CD1 TYR A 146 -5.503 -2.564 -2.093 1.00 50.81 C ATOM 36 CD2 TYR A 146 -3.191 -1.983 -2.048 1.00 49.31 C ATOM 37 CE1 TYR A 146 -5.461 -2.848 -0.739 1.00 57.95 C ATOM 38 CE2 TYR A 146 -3.140 -2.263 -0.692 1.00 55.83 C ATOM 39 CZ TYR A 146 -4.275 -2.694 -0.046 1.00 56.65 C ATOM 40 OH TYR A 146 -4.217 -2.968 1.297 1.00 61.59 O ATOM 41 HH TYR A 146 -5.108 -3.265 1.611 1.00 0.00 H ATOM 42 H TYR A 146 -1.970 -2.827 -4.717 1.00 0.00 H ATOM 43 N GLU A 147 -5.210 -2.502 -7.224 1.00 35.02 N ATOM 44 CA GLU A 147 -5.287 -2.005 -8.582 1.00 34.76 C ATOM 45 C GLU A 147 -6.115 -0.740 -8.642 1.00 33.20 C ATOM 46 O GLU A 147 -7.187 -0.665 -8.043 1.00 39.06 O ATOM 47 CB GLU A 147 -5.888 -3.064 -9.496 1.00 37.84 C ATOM 48 CG GLU A 147 -6.096 -2.604 -10.920 1.00 40.03 C ATOM 49 CD GLU A 147 -6.544 -3.733 -11.829 1.00 51.74 C ATOM 50 OE1 GLU A 147 -6.318 -4.909 -11.469 1.00 58.15 O ATOM 51 OE2 GLU A 147 -7.124 -3.444 -12.898 1.00 51.57 O ATOM 52 H GLU A 147 -6.071 -2.829 -6.740 1.00 0.00 H ATOM 53 N ILE A 148 -5.622 0.257 -9.378 1.00 33.44 N ATOM 54 CA ILE A 148 -6.349 1.500 -9.596 1.00 39.31 C ATOM 55 C ILE A 148 -6.392 1.834 -11.091 1.00 37.79 C ATOM 56 O ILE A 148 -5.375 1.750 -11.767 1.00 29.66 O ATOM 57 CB ILE A 148 -5.689 2.654 -8.822 1.00 37.79 C ATOM 58 CG1 ILE A 148 -5.705 2.349 -7.322 1.00 32.80 C ATOM 59 CG2 ILE A 148 -6.392 3.991 -9.121 1.00 32.24 C ATOM 60 CD1 ILE A 148 -4.825 3.257 -6.518 1.00 39.91 C ATOM 61 H ILE A 148 -4.684 0.143 -9.812 1.00 0.00 H ATOM 62 N GLN A 149 -7.566 2.190 -11.606 1.00 34.06 N ATOM 63 CA GLN A 149 -7.693 2.589 -13.002 1.00 35.61 C ATOM 64 C GLN A 149 -7.334 4.064 -13.132 1.00 29.36 C ATOM 65 O GLN A 149 -7.822 4.888 -12.358 1.00 33.99 O ATOM 66 CB GLN A 149 -9.130 2.382 -13.486 1.00 37.76 C ATOM 67 CG GLN A 149 -9.773 1.096 -13.017 1.00 51.80 C ATOM 68 CD GLN A 149 -9.119 -0.116 -13.634 1.00 53.83 C ATOM 69 OE1 GLN A 149 -8.913 -0.165 -14.845 1.00 65.45 O ATOM 70 NE2 GLN A 149 -8.778 -1.094 -12.807 1.00 51.52 N ATOM 71 HE22 GLN A 149 -8.973 -1.006 -11.789 1.00 0.00 H ATOM 72 HE21 GLN A 149 -8.315 -1.949 -13.176 1.00 0.00 H ATOM 73 H GLN A 149 -8.411 2.183 -11.000 1.00 0.00 H HETATM 74 N MSE A 150 -6.483 4.406 -14.094 1.00 31.47 N HETATM 75 CA MSE A 150 -6.175 5.809 -14.338 1.00 33.63 C HETATM 76 C MSE A 150 -7.184 6.438 -15.309 1.00 36.27 C HETATM 77 O MSE A 150 -6.979 6.444 -16.521 1.00 34.92 O HETATM 78 CB MSE A 150 -4.729 5.989 -14.834 1.00 26.13 C HETATM 79 CG MSE A 150 -4.049 7.241 -14.254 1.00 26.91 C HETATM 80 SE MSE A 150 -5.006 8.891 -14.693 1.00 38.83 S HETATM 81 CE MSE A 150 -4.371 9.136 -16.514 1.00 35.69 C HETATM 82 H MSE A 150 -6.035 3.669 -14.675 1.00 0.00 H ATOM 83 N LEU A 151 -8.279 6.959 -14.763 1.00 32.22 N ATOM 84 CA LEU A 151 -9.372 7.472 -15.579 1.00 35.09 C ATOM 85 C LEU A 151 -9.564 8.981 -15.408 1.00 41.35 C ATOM 86 O LEU A 151 -10.636 9.517 -15.692 1.00 47.01 O ATOM 87 CB LEU A 151 -10.657 6.735 -15.218 1.00 40.61 C ATOM 88 CG LEU A 151 -10.579 5.219 -15.376 1.00 40.04 C ATOM 89 CD1 LEU A 151 -11.852 4.550 -14.874 1.00 39.54 C ATOM 90 CD2 LEU A 151 -10.327 4.881 -16.828 1.00 46.66 C ATOM 91 H LEU A 151 -8.357 7.001 -13.727 1.00 0.00 H ATOM 92 N ASN A 152 -8.524 9.659 -14.936 1.00 35.80 N ATOM 93 CA ASN A 152 -8.582 11.093 -14.693 1.00 37.24 C ATOM 94 C ASN A 152 -7.693 11.846 -15.692 1.00 35.09 C ATOM 95 O ASN A 152 -6.463 11.685 -15.678 1.00 32.88 O ATOM 96 CB ASN A 152 -8.169 11.391 -13.246 1.00 36.52 C ATOM 97 CG ASN A 152 -8.436 12.820 -12.850 1.00 48.58 C ATOM 98 OD1 ASN A 152 -8.619 13.690 -13.701 1.00 45.91 O ATOM 99 ND2 ASN A 152 -8.465 13.075 -11.546 1.00 47.36 N ATOM 100 HD22 ASN A 152 -8.305 12.308 -10.862 1.00 0.00 H ATOM 101 HD21 ASN A 152 -8.648 14.042 -11.209 1.00 0.00 H ATOM 102 H ASN A 152 -7.640 9.149 -14.734 1.00 0.00 H ATOM 103 N TYR A 153 -8.314 12.650 -16.559 1.00 32.45 N ATOM 104 CA TYR A 153 -7.588 13.326 -17.645 1.00 35.15 C ATOM 105 C TYR A 153 -6.546 14.314 -17.146 1.00 38.97 C ATOM 106 O TYR A 153 -5.541 14.574 -17.824 1.00 34.81 O ATOM 107 CB TYR A 153 -8.553 13.992 -18.649 1.00 46.48 C ATOM 108 CG TYR A 153 -9.323 15.198 -18.138 1.00 50.82 C ATOM 109 CD1 TYR A 153 -8.890 16.491 -18.410 1.00 53.37 C ATOM 110 CD2 TYR A 153 -10.502 15.046 -17.420 1.00 54.11 C ATOM 111 CE1 TYR A 153 -9.600 17.603 -17.964 1.00 55.45 C ATOM 112 CE2 TYR A 153 -11.218 16.149 -16.970 1.00 63.16 C ATOM 113 CZ TYR A 153 -10.762 17.426 -17.248 1.00 58.97 C ATOM 114 OH TYR A 153 -11.466 18.525 -16.800 1.00 55.14 O ATOM 115 HH TYR A 153 -11.002 19.352 -17.086 1.00 0.00 H ATOM 116 H TYR A 153 -9.338 12.802 -16.464 1.00 0.00 H ATOM 117 N LYS A 154 -6.781 14.844 -15.949 1.00 34.21 N ATOM 118 CA LYS A 154 -5.852 15.764 -15.308 1.00 38.64 C ATOM 119 C LYS A 154 -4.440 15.192 -15.080 1.00 34.69 C ATOM 120 O LYS A 154 -3.485 15.950 -14.859 1.00 31.61 O ATOM 121 CB LYS A 154 -6.449 16.246 -13.991 1.00 49.37 C ATOM 122 CG LYS A 154 -7.863 16.793 -14.135 1.00 53.57 C ATOM 123 CD LYS A 154 -7.958 18.260 -13.747 1.00 64.09 C ATOM 124 CE LYS A 154 -9.410 18.699 -13.633 1.00 62.28 C ATOM 125 NZ LYS A 154 -10.083 18.019 -12.488 1.00 69.77 N ATOM 126 HZ1 LYS A 154 -10.055 16.989 -12.633 1.00 0.00 H ATOM 127 HZ2 LYS A 154 -9.590 18.260 -11.605 1.00 0.00 H ATOM 128 HZ3 LYS A 154 -11.072 18.335 -12.431 1.00 0.00 H ATOM 129 H LYS A 154 -7.660 14.592 -15.453 1.00 0.00 H ATOM 130 N TYR A 155 -4.299 13.870 -15.125 1.00 40.95 N ATOM 131 CA TYR A 155 -2.981 13.258 -14.945 1.00 36.20 C ATOM 132 C TYR A 155 -2.349 12.642 -16.191 1.00 28.52 C ATOM 133 O TYR A 155 -1.317 11.993 -16.097 1.00 35.19 O ATOM 134 CB TYR A 155 -2.987 12.246 -13.794 1.00 32.99 C ATOM 135 CG TYR A 155 -3.356 12.903 -12.499 1.00 34.25 C ATOM 136 CD1 TYR A 155 -2.435 13.675 -11.807 1.00 39.45 C ATOM 137 CD2 TYR A 155 -4.631 12.778 -11.981 1.00 37.24 C ATOM 138 CE1 TYR A 155 -2.775 14.294 -10.629 1.00 51.15 C ATOM 139 CE2 TYR A 155 -4.975 13.389 -10.799 1.00 51.64 C ATOM 140 CZ TYR A 155 -4.049 14.149 -10.130 1.00 50.75 C ATOM 141 OH TYR A 155 -4.388 14.769 -8.955 1.00 49.81 O ATOM 142 HH TYR A 155 -5.138 15.394 -9.118 1.00 0.00 H ATOM 143 H TYR A 155 -5.130 13.267 -15.289 1.00 0.00 H ATOM 144 N GLU A 156 -2.940 12.872 -17.359 1.00 38.85 N ATOM 145 CA GLU A 156 -2.344 12.370 -18.592 1.00 36.28 C ATOM 146 C GLU A 156 -1.013 13.067 -18.874 1.00 33.15 C ATOM 147 O GLU A 156 -0.896 14.298 -18.748 1.00 35.28 O ATOM 148 CB GLU A 156 -3.294 12.566 -19.770 1.00 41.80 C ATOM 149 CG GLU A 156 -4.538 11.742 -19.680 1.00 41.06 C ATOM 150 CD GLU A 156 -5.549 12.105 -20.757 1.00 53.85 C ATOM 151 OE1 GLU A 156 -6.644 11.506 -20.747 1.00 51.88 O ATOM 152 OE2 GLU A 156 -5.255 12.990 -21.600 1.00 50.21 O ATOM 153 H GLU A 156 -3.829 13.411 -17.394 1.00 0.00 H ATOM 154 N ASN A 157 -0.023 12.272 -19.271 1.00 34.57 N ATOM 155 CA ASN A 157 1.346 12.742 -19.502 1.00 40.47 C ATOM 156 C ASN A 157 2.092 13.189 -18.257 1.00 43.49 C ATOM 157 O ASN A 157 3.215 13.673 -18.363 1.00 48.96 O ATOM 158 CB ASN A 157 1.425 13.851 -20.566 1.00 49.30 C ATOM 159 CG ASN A 157 0.911 13.401 -21.928 1.00 55.57 C ATOM 160 OD1 ASN A 157 -0.219 13.703 -22.298 1.00 56.61 O ATOM 161 ND2 ASN A 157 1.743 12.682 -22.677 1.00 57.17 N ATOM 162 HD22 ASN A 157 2.693 12.449 -22.323 1.00 0.00 H ATOM 163 HD21 ASN A 157 1.444 12.353 -23.617 1.00 0.00 H ATOM 164 H ASN A 157 -0.231 11.265 -19.425 1.00 0.00 H ATOM 165 N ILE A 158 1.494 13.034 -17.079 1.00 34.21 N ATOM 166 CA ILE A 158 2.225 13.397 -15.864 1.00 38.66 C ATOM 167 C ILE A 158 3.161 12.262 -15.465 1.00 31.10 C ATOM 168 O ILE A 158 2.737 11.112 -15.353 1.00 31.67 O ATOM 169 CB ILE A 158 1.278 13.776 -14.703 1.00 40.91 C ATOM 170 CG1 ILE A 158 0.402 14.961 -15.110 1.00 37.59 C ATOM 171 CG2 ILE A 158 2.063 14.103 -13.462 1.00 33.84 C ATOM 172 CD1 ILE A 158 1.180 16.180 -15.452 1.00 33.93 C ATOM 173 H ILE A 158 0.525 12.662 -17.022 1.00 0.00 H ATOM 174 N GLN A 159 4.440 12.592 -15.279 1.00 31.91 N ATOM 175 CA GLN A 159 5.449 11.594 -14.971 1.00 34.70 C ATOM 176 C GLN A 159 5.423 11.297 -13.491 1.00 29.56 C ATOM 177 O GLN A 159 5.109 12.185 -12.683 1.00 37.18 O ATOM 178 CB GLN A 159 6.841 12.079 -15.365 1.00 36.17 C ATOM 179 CG GLN A 159 6.908 12.651 -16.768 1.00 45.70 C ATOM 180 CD GLN A 159 8.288 12.566 -17.363 1.00 62.87 C ATOM 181 OE1 GLN A 159 8.450 12.199 -18.531 1.00 76.66 O ATOM 182 NE2 GLN A 159 9.296 12.901 -16.569 1.00 59.58 N ATOM 183 HE22 GLN A 159 9.110 13.204 -15.592 1.00 0.00 H ATOM 184 HE21 GLN A 159 10.273 12.861 -16.924 1.00 0.00 H ATOM 185 H GLN A 159 4.722 13.590 -15.357 1.00 0.00 H ATOM 186 N LEU A 160 5.767 10.061 -13.140 1.00 29.12 N ATOM 187 CA LEU A 160 5.788 9.647 -11.743 1.00 31.27 C ATOM 188 C LEU A 160 6.632 10.569 -10.887 1.00 32.47 C ATOM 189 O LEU A 160 6.258 10.875 -9.760 1.00 35.12 O ATOM 190 CB LEU A 160 6.287 8.215 -11.612 1.00 31.69 C ATOM 191 CG LEU A 160 5.337 7.219 -12.263 1.00 32.82 C ATOM 192 CD1 LEU A 160 5.673 5.781 -11.840 1.00 31.62 C ATOM 193 CD2 LEU A 160 3.911 7.580 -11.884 1.00 31.53 C ATOM 194 H LEU A 160 6.026 9.376 -13.878 1.00 0.00 H ATOM 195 N ARG A 161 7.736 11.063 -11.441 1.00 33.91 N ATOM 196 CA ARG A 161 8.632 11.926 -10.672 1.00 39.27 C ATOM 197 C ARG A 161 7.996 13.258 -10.282 1.00 40.21 C ATOM 198 O ARG A 161 8.479 13.938 -9.370 1.00 45.72 O ATOM 199 CB ARG A 161 9.916 12.181 -11.447 1.00 36.31 C ATOM 200 CG ARG A 161 9.737 13.090 -12.650 1.00 42.50 C ATOM 201 CD ARG A 161 11.095 13.485 -13.197 1.00 55.83 C ATOM 202 NE ARG A 161 12.012 12.349 -13.197 1.00 74.35 N ATOM 203 CZ ARG A 161 12.462 11.756 -14.297 1.00 85.92 C ATOM 204 NH1 ARG A 161 12.090 12.206 -15.487 1.00 92.48 N ATOM 205 NH2 ARG A 161 13.292 10.725 -14.211 1.00 83.61 N ATOM 206 HE ARG A 161 12.333 11.981 -12.279 1.00 0.00 H ATOM 207 HH12 ARG A 161 12.440 11.744 -16.350 1.00 0.00 H ATOM 208 HH11 ARG A 161 11.448 13.021 -15.557 1.00 0.00 H ATOM 209 HH22 ARG A 161 13.641 10.265 -15.076 1.00 0.00 H ATOM 210 HH21 ARG A 161 13.594 10.377 -13.279 1.00 0.00 H ATOM 211 H ARG A 161 7.964 10.834 -12.429 1.00 0.00 H ATOM 212 N ASN A 162 6.919 13.632 -10.969 1.00 37.71 N ATOM 213 CA ASN A 162 6.174 14.831 -10.623 1.00 43.18 C ATOM 214 C ASN A 162 4.814 14.572 -9.991 1.00 41.49 C ATOM 215 O ASN A 162 4.171 15.499 -9.518 1.00 39.86 O ATOM 216 CB ASN A 162 6.012 15.734 -11.848 1.00 44.92 C ATOM 217 CG ASN A 162 7.335 16.157 -12.415 1.00 49.50 C ATOM 218 OD1 ASN A 162 8.302 16.343 -11.676 1.00 52.10 O ATOM 219 ND2 ASN A 162 7.402 16.283 -13.733 1.00 58.04 N ATOM 220 HD22 ASN A 162 6.557 16.115 -14.315 1.00 0.00 H ATOM 221 HD21 ASN A 162 8.300 16.550 -14.185 1.00 0.00 H ATOM 222 H ASN A 162 6.603 13.052 -11.773 1.00 0.00 H ATOM 223 N PHE A 163 4.366 13.321 -9.991 1.00 37.41 N ATOM 224 CA PHE A 163 3.073 12.988 -9.402 1.00 46.63 C ATOM 225 C PHE A 163 3.007 13.338 -7.897 1.00 57.37 C ATOM 226 O PHE A 163 3.959 13.101 -7.149 1.00 51.49 O ATOM 227 CB PHE A 163 2.724 11.516 -9.653 1.00 38.55 C ATOM 228 CG PHE A 163 1.314 11.162 -9.291 1.00 43.53 C ATOM 229 CD1 PHE A 163 0.320 11.156 -10.254 1.00 42.16 C ATOM 230 CD2 PHE A 163 0.982 10.830 -7.987 1.00 57.08 C ATOM 231 CE1 PHE A 163 -0.969 10.830 -9.922 1.00 43.44 C ATOM 232 CE2 PHE A 163 -0.311 10.511 -7.650 1.00 57.27 C ATOM 233 CZ PHE A 163 -1.292 10.512 -8.621 1.00 47.79 C ATOM 234 H PHE A 163 4.945 12.569 -10.417 1.00 0.00 H ATOM 235 N PRO A 164 1.881 13.936 -7.465 1.00 61.89 N ATOM 236 CA PRO A 164 1.602 14.316 -6.072 1.00 64.73 C ATOM 237 C PRO A 164 0.892 13.226 -5.261 1.00 76.48 C ATOM 238 O PRO A 164 -0.311 13.342 -5.011 1.00 75.59 O ATOM 239 CB PRO A 164 0.665 15.507 -6.237 1.00 68.68 C ATOM 240 CG PRO A 164 -0.068 15.238 -7.494 1.00 66.26 C ATOM 241 CD PRO A 164 0.890 14.506 -8.399 1.00 60.99 C ATOM 242 N PHE A 165 1.631 12.205 -4.832 1.00 80.40 N ATOM 243 CA PHE A 165 1.035 11.021 -4.204 1.00 85.18 C ATOM 244 C PHE A 165 0.253 11.313 -2.921 1.00 95.62 C ATOM 245 O PHE A 165 0.667 12.135 -2.099 1.00 92.69 O ATOM 246 CB PHE A 165 2.108 9.961 -3.934 1.00 80.69 C ATOM 247 CG PHE A 165 2.890 9.572 -5.157 1.00 67.65 C ATOM 248 CD1 PHE A 165 2.407 8.613 -6.035 1.00 62.48 C ATOM 249 CD2 PHE A 165 4.108 10.173 -5.432 1.00 64.30 C ATOM 250 CE1 PHE A 165 3.126 8.269 -7.168 1.00 48.46 C ATOM 251 CE2 PHE A 165 4.832 9.828 -6.558 1.00 55.15 C ATOM 252 CZ PHE A 165 4.339 8.871 -7.428 1.00 51.25 C ATOM 253 H PHE A 165 2.664 12.248 -4.946 1.00 0.00 H ATOM 254 N GLY A 166 -0.869 10.614 -2.756 1.00104.07 N ATOM 255 CA GLY A 166 -1.720 10.764 -1.588 1.00107.85 C ATOM 256 C GLY A 166 -1.079 10.279 -0.302 1.00109.57 C ATOM 257 O GLY A 166 -1.634 10.456 0.783 1.00114.25 O ATOM 258 H GLY A 166 -1.147 9.934 -3.492 1.00 0.00 H ATOM 259 N GLY A 167 0.094 9.666 -0.427 1.00100.00 N ATOM 260 CA GLY A 167 0.833 9.167 0.716 1.00 88.70 C ATOM 261 C GLY A 167 2.044 8.356 0.291 1.00 73.74 C ATOM 262 O GLY A 167 2.671 8.640 -0.730 1.00 69.68 O ATOM 263 H GLY A 167 0.496 9.540 -1.378 1.00 0.00 H ATOM 264 N ASP A 168 2.372 7.344 1.086 1.00 57.10 N ATOM 265 CA ASP A 168 3.510 6.476 0.825 1.00 55.28 C ATOM 266 C ASP A 168 3.080 5.351 -0.111 1.00 44.52 C ATOM 267 O ASP A 168 2.507 4.354 0.324 1.00 49.74 O ATOM 268 CB ASP A 168 4.025 5.894 2.143 1.00 71.51 C ATOM 269 CG ASP A 168 5.390 5.240 2.008 1.00 79.15 C ATOM 270 OD1 ASP A 168 5.987 5.316 0.911 1.00 80.29 O ATOM 271 OD2 ASP A 168 5.870 4.662 3.012 1.00 78.99 O ATOM 272 H ASP A 168 1.791 7.165 1.930 1.00 0.00 H ATOM 273 N ILE A 169 3.341 5.523 -1.397 1.00 50.29 N ATOM 274 CA ILE A 169 2.921 4.536 -2.381 1.00 37.86 C ATOM 275 C ILE A 169 3.986 4.344 -3.447 1.00 37.42 C ATOM 276 O ILE A 169 4.693 5.284 -3.808 1.00 36.74 O ATOM 277 CB ILE A 169 1.576 4.931 -3.018 1.00 43.48 C ATOM 278 CG1 ILE A 169 1.159 3.917 -4.080 1.00 52.58 C ATOM 279 CG2 ILE A 169 1.662 6.310 -3.619 1.00 51.97 C ATOM 280 CD1 ILE A 169 0.278 4.498 -5.140 1.00 54.46 C ATOM 281 H ILE A 169 3.852 6.373 -1.708 1.00 0.00 H ATOM 282 N ILE A 170 4.107 3.109 -3.931 1.00 31.53 N ATOM 283 CA ILE A 170 4.986 2.795 -5.036 1.00 22.83 C ATOM 284 C ILE A 170 4.122 2.126 -6.116 1.00 28.90 C ATOM 285 O ILE A 170 3.291 1.269 -5.799 1.00 32.68 O ATOM 286 CB ILE A 170 6.092 1.843 -4.572 1.00 29.60 C ATOM 287 CG1 ILE A 170 7.291 2.641 -4.055 1.00 47.26 C ATOM 288 CG2 ILE A 170 6.548 0.940 -5.695 1.00 37.94 C ATOM 289 CD1 ILE A 170 8.029 3.405 -5.128 1.00 47.59 C ATOM 290 H ILE A 170 3.550 2.344 -3.499 1.00 0.00 H ATOM 291 N PHE A 171 4.291 2.555 -7.369 1.00 29.52 N ATOM 292 CA PHE A 171 3.647 1.909 -8.510 1.00 27.28 C ATOM 293 C PHE A 171 4.491 0.686 -8.873 1.00 30.41 C ATOM 294 O PHE A 171 5.642 0.819 -9.289 1.00 32.25 O ATOM 295 CB PHE A 171 3.577 2.879 -9.696 1.00 25.92 C ATOM 296 CG PHE A 171 2.523 3.956 -9.552 1.00 26.16 C ATOM 297 CD1 PHE A 171 2.547 4.840 -8.490 1.00 43.28 C ATOM 298 CD2 PHE A 171 1.535 4.111 -10.508 1.00 39.70 C ATOM 299 CE1 PHE A 171 1.574 5.826 -8.370 1.00 42.58 C ATOM 300 CE2 PHE A 171 0.574 5.110 -10.392 1.00 38.83 C ATOM 301 CZ PHE A 171 0.599 5.963 -9.320 1.00 36.86 C ATOM 302 H PHE A 171 4.903 3.379 -7.539 1.00 0.00 H ATOM 303 N VAL A 172 3.918 -0.498 -8.694 1.00 23.83 N ATOM 304 CA VAL A 172 4.628 -1.754 -8.871 1.00 23.47 C ATOM 305 C VAL A 172 4.665 -2.170 -10.326 1.00 24.12 C ATOM 306 O VAL A 172 5.722 -2.581 -10.837 1.00 25.00 O ATOM 307 CB VAL A 172 3.985 -2.845 -7.991 1.00 29.71 C ATOM 308 CG1 VAL A 172 4.638 -4.196 -8.232 1.00 28.77 C ATOM 309 CG2 VAL A 172 4.085 -2.416 -6.502 1.00 26.41 C ATOM 310 H VAL A 172 2.917 -0.528 -8.415 1.00 0.00 H ATOM 311 N ARG A 173 3.518 -2.022 -10.993 1.00 23.34 N ATOM 312 CA ARG A 173 3.386 -2.273 -12.430 1.00 25.63 C ATOM 313 C ARG A 173 2.310 -1.340 -12.962 1.00 25.35 C ATOM 314 O ARG A 173 1.392 -0.938 -12.232 1.00 25.09 O ATOM 315 CB ARG A 173 2.972 -3.734 -12.741 1.00 25.50 C ATOM 316 CG ARG A 173 3.940 -4.829 -12.300 1.00 25.55 C ATOM 317 CD ARG A 173 5.202 -4.873 -13.160 1.00 27.07 C ATOM 318 NE ARG A 173 6.034 -6.027 -12.841 1.00 33.78 N ATOM 319 CZ ARG A 173 6.094 -7.138 -13.569 1.00 45.40 C ATOM 320 NH1 ARG A 173 5.392 -7.248 -14.697 1.00 46.06 N ATOM 321 NH2 ARG A 173 6.868 -8.140 -13.171 1.00 39.93 N ATOM 322 HE ARG A 173 6.622 -5.978 -11.984 1.00 0.00 H ATOM 323 HH12 ARG A 173 5.445 -8.121 -15.260 1.00 0.00 H ATOM 324 HH11 ARG A 173 4.791 -6.461 -15.014 1.00 0.00 H ATOM 325 HH22 ARG A 173 6.920 -9.012 -13.735 1.00 0.00 H ATOM 326 HH21 ARG A 173 7.422 -8.053 -12.295 1.00 0.00 H ATOM 327 H ARG A 173 2.676 -1.713 -10.466 1.00 0.00 H ATOM 328 N ILE A 174 2.406 -1.021 -14.242 1.00 22.17 N ATOM 329 CA ILE A 174 1.308 -0.369 -14.953 1.00 20.34 C ATOM 330 C ILE A 174 0.977 -1.276 -16.126 1.00 23.71 C ATOM 331 O ILE A 174 1.864 -1.670 -16.883 1.00 24.28 O ATOM 332 CB ILE A 174 1.697 1.011 -15.505 1.00 19.33 C ATOM 333 CG1 ILE A 174 1.970 2.000 -14.369 1.00 24.03 C ATOM 334 CG2 ILE A 174 0.600 1.549 -16.462 1.00 25.27 C ATOM 335 CD1 ILE A 174 2.477 3.347 -14.839 1.00 30.10 C ATOM 336 H ILE A 174 3.284 -1.239 -14.755 1.00 0.00 H ATOM 337 N ILE A 175 -0.289 -1.651 -16.228 1.00 25.81 N ATOM 338 CA ILE A 175 -0.725 -2.501 -17.332 1.00 27.83 C ATOM 339 C ILE A 175 -1.359 -1.578 -18.359 1.00 30.43 C ATOM 340 O ILE A 175 -2.378 -0.939 -18.091 1.00 33.64 O ATOM 341 CB ILE A 175 -1.687 -3.589 -16.859 1.00 26.66 C ATOM 342 CG1 ILE A 175 -0.968 -4.490 -15.848 1.00 35.76 C ATOM 343 CG2 ILE A 175 -2.212 -4.416 -18.066 1.00 36.90 C ATOM 344 CD1 ILE A 175 -1.873 -5.405 -15.074 1.00 43.07 C ATOM 345 H ILE A 175 -0.979 -1.337 -15.516 1.00 0.00 H ATOM 346 N ARG A 176 -0.709 -1.492 -19.517 1.00 30.62 N ATOM 347 CA ARG A 176 -1.058 -0.539 -20.566 1.00 30.45 C ATOM 348 C ARG A 176 -1.050 -1.264 -21.922 1.00 43.47 C ATOM 349 O ARG A 176 -0.067 -1.910 -22.279 1.00 44.53 O ATOM 350 CB ARG A 176 -0.043 0.607 -20.576 1.00 37.71 C ATOM 351 CG ARG A 176 -0.228 1.593 -21.739 1.00 37.69 C ATOM 352 CD ARG A 176 0.784 2.722 -21.673 1.00 40.73 C ATOM 353 NE ARG A 176 0.752 3.421 -20.380 1.00 35.02 N ATOM 354 CZ ARG A 176 1.749 4.159 -19.913 1.00 41.19 C ATOM 355 NH1 ARG A 176 2.854 4.292 -20.631 1.00 39.93 N ATOM 356 NH2 ARG A 176 1.646 4.756 -18.723 1.00 34.67 N ATOM 357 HE ARG A 176 -0.104 3.331 -19.797 1.00 0.00 H ATOM 358 HH12 ARG A 176 3.641 4.869 -20.272 1.00 0.00 H ATOM 359 HH11 ARG A 176 2.935 3.819 -21.554 1.00 0.00 H ATOM 360 HH22 ARG A 176 2.431 5.334 -18.361 1.00 0.00 H ATOM 361 HH21 ARG A 176 0.780 4.643 -18.158 1.00 0.00 H ATOM 362 H ARG A 176 0.089 -2.138 -19.683 1.00 0.00 H ATOM 363 N ASN A 177 -2.132 -1.143 -22.678 1.00 54.61 N ATOM 364 CA ASN A 177 -2.191 -1.764 -23.998 1.00 62.19 C ATOM 365 C ASN A 177 -1.730 -3.223 -23.964 1.00 59.48 C ATOM 366 O ASN A 177 -0.924 -3.652 -24.804 1.00 59.20 O ATOM 367 CB ASN A 177 -1.339 -0.978 -24.998 1.00 61.79 C ATOM 368 CG ASN A 177 -1.817 0.435 -25.182 1.00 63.38 C ATOM 369 OD1 ASN A 177 -3.011 0.720 -25.066 1.00 69.50 O ATOM 370 ND2 ASN A 177 -0.889 1.335 -25.471 1.00 63.49 N ATOM 371 HD22 ASN A 177 0.106 1.046 -25.559 1.00 0.00 H ATOM 372 HD21 ASN A 177 -1.156 2.331 -25.610 1.00 0.00 H ATOM 373 H ASN A 177 -2.947 -0.600 -22.327 1.00 0.00 H ATOM 374 N ASN A 178 -2.207 -3.958 -22.957 1.00 43.02 N ATOM 375 CA ASN A 178 -1.963 -5.389 -22.853 1.00 50.76 C ATOM 376 C ASN A 178 -0.494 -5.761 -22.621 1.00 42.23 C ATOM 377 O ASN A 178 -0.014 -6.799 -23.055 1.00 42.03 O ATOM 378 CB ASN A 178 -2.527 -6.068 -24.093 1.00 55.34 C ATOM 379 CG ASN A 178 -3.798 -5.387 -24.585 1.00 65.40 C ATOM 380 OD1 ASN A 178 -4.675 -5.041 -23.788 1.00 71.27 O ATOM 381 ND2 ASN A 178 -3.877 -5.139 -25.890 1.00 71.26 N ATOM 382 HD22 ASN A 178 -3.114 -5.449 -26.525 1.00 0.00 H ATOM 383 HD21 ASN A 178 -4.702 -4.635 -26.275 1.00 0.00 H ATOM 384 H ASN A 178 -2.773 -3.491 -22.220 1.00 0.00 H ATOM 385 N GLU A 179 0.196 -4.885 -21.913 1.00 32.98 N ATOM 386 CA GLU A 179 1.600 -5.050 -21.577 1.00 34.82 C ATOM 387 C GLU A 179 1.764 -4.611 -20.119 1.00 34.07 C ATOM 388 O GLU A 179 1.030 -3.734 -19.657 1.00 34.50 O ATOM 389 CB GLU A 179 2.423 -4.155 -22.507 1.00 48.69 C ATOM 390 CG GLU A 179 3.871 -3.950 -22.111 1.00 63.64 C ATOM 391 CD GLU A 179 4.645 -3.219 -23.188 1.00 74.98 C ATOM 392 OE1 GLU A 179 5.331 -2.222 -22.868 1.00 80.94 O ATOM 393 OE2 GLU A 179 4.558 -3.647 -24.359 1.00 75.78 O ATOM 394 H GLU A 179 -0.292 -4.030 -21.578 1.00 0.00 H ATOM 395 N SER A 180 2.696 -5.225 -19.391 1.00 28.68 N ATOM 396 CA SER A 180 2.941 -4.874 -17.998 1.00 33.53 C ATOM 397 C SER A 180 4.293 -4.184 -17.871 1.00 40.48 C ATOM 398 O SER A 180 5.342 -4.803 -18.042 1.00 42.72 O ATOM 399 CB SER A 180 2.905 -6.129 -17.110 1.00 31.62 C ATOM 400 OG SER A 180 3.081 -5.793 -15.752 1.00 34.88 O ATOM 401 HG SER A 180 3.054 -6.617 -15.203 1.00 0.00 H ATOM 402 H SER A 180 3.265 -5.977 -19.830 1.00 0.00 H ATOM 403 N ILE A 181 4.251 -2.898 -17.541 1.00 33.95 N ATOM 404 CA ILE A 181 5.443 -2.065 -17.449 1.00 37.36 C ATOM 405 C ILE A 181 5.958 -1.912 -16.016 1.00 30.20 C ATOM 406 O ILE A 181 5.183 -1.676 -15.081 1.00 25.98 O ATOM 407 CB ILE A 181 5.131 -0.647 -17.961 1.00 37.04 C ATOM 408 CG1 ILE A 181 4.794 -0.662 -19.452 1.00 42.49 C ATOM 409 CG2 ILE A 181 6.283 0.319 -17.679 1.00 37.19 C ATOM 410 CD1 ILE A 181 4.382 0.694 -19.936 1.00 37.65 C ATOM 411 H ILE A 181 3.326 -2.467 -17.339 1.00 0.00 H ATOM 412 N VAL A 182 7.270 -2.019 -15.842 1.00 29.12 N ATOM 413 CA VAL A 182 7.856 -1.638 -14.561 1.00 28.48 C ATOM 414 C VAL A 182 8.020 -0.123 -14.560 1.00 31.44 C ATOM 415 O VAL A 182 8.753 0.418 -15.381 1.00 32.65 O ATOM 416 CB VAL A 182 9.219 -2.323 -14.296 1.00 34.12 C ATOM 417 CG1 VAL A 182 9.805 -1.815 -12.982 1.00 28.66 C ATOM 418 CG2 VAL A 182 9.077 -3.849 -14.269 1.00 38.65 C ATOM 419 H VAL A 182 7.874 -2.371 -16.612 1.00 0.00 H ATOM 420 N PRO A 183 7.316 0.572 -13.658 1.00 31.22 N ATOM 421 CA PRO A 183 7.284 2.038 -13.739 1.00 34.61 C ATOM 422 C PRO A 183 8.520 2.674 -13.114 1.00 25.39 C ATOM 423 O PRO A 183 9.034 2.173 -12.103 1.00 25.45 O ATOM 424 CB PRO A 183 6.041 2.406 -12.910 1.00 29.85 C ATOM 425 CG PRO A 183 5.340 1.092 -12.623 1.00 30.05 C ATOM 426 CD PRO A 183 6.419 0.075 -12.602 1.00 25.53 C ATOM 427 N HIS A 184 8.995 3.761 -13.725 1.00 29.96 N ATOM 428 CA HIS A 184 10.059 4.569 -13.130 1.00 34.08 C ATOM 429 C HIS A 184 9.730 6.067 -13.196 1.00 32.47 C ATOM 430 O HIS A 184 8.607 6.461 -13.525 1.00 33.01 O ATOM 431 CB HIS A 184 11.423 4.273 -13.774 1.00 35.30 C ATOM 432 CG HIS A 184 11.833 2.836 -13.690 1.00 34.64 C ATOM 433 ND1 HIS A 184 12.352 2.272 -12.543 1.00 33.64 N ATOM 434 CD2 HIS A 184 11.788 1.843 -14.613 1.00 35.64 C ATOM 435 CE1 HIS A 184 12.613 0.994 -12.764 1.00 39.70 C ATOM 436 NE2 HIS A 184 12.284 0.711 -14.012 1.00 36.02 N ATOM 437 H HIS A 184 8.600 4.040 -14.645 1.00 0.00 H ATOM 438 N GLY A 185 10.709 6.903 -12.857 1.00 36.05 N ATOM 439 CA GLY A 185 10.457 8.317 -12.709 1.00 31.10 C ATOM 440 C GLY A 185 9.892 9.005 -13.929 1.00 36.09 C ATOM 441 O GLY A 185 9.023 9.879 -13.805 1.00 42.86 O ATOM 442 H GLY A 185 11.668 6.533 -12.697 1.00 0.00 H ATOM 443 N ASP A 186 10.363 8.637 -15.115 1.00 36.00 N ATOM 444 CA ASP A 186 9.866 9.339 -16.298 1.00 45.92 C ATOM 445 C ASP A 186 8.734 8.604 -17.005 1.00 36.28 C ATOM 446 O ASP A 186 8.273 9.029 -18.042 1.00 37.42 O ATOM 447 CB ASP A 186 10.977 9.834 -17.250 1.00 60.73 C ATOM 448 CG ASP A 186 11.811 8.720 -17.849 1.00 64.74 C ATOM 449 OD1 ASP A 186 11.268 7.632 -18.133 1.00 67.14 O ATOM 450 OD2 ASP A 186 13.025 8.958 -18.062 1.00 64.93 O ATOM 451 H ASP A 186 11.064 7.873 -15.200 1.00 0.00 H ATOM 452 N THR A 187 8.278 7.510 -16.403 1.00 37.49 N ATOM 453 CA THR A 187 7.038 6.866 -16.823 1.00 30.41 C ATOM 454 C THR A 187 5.884 7.859 -16.698 1.00 38.15 C ATOM 455 O THR A 187 5.678 8.454 -15.628 1.00 34.22 O ATOM 456 CB THR A 187 6.721 5.637 -15.946 1.00 31.24 C ATOM 457 OG1 THR A 187 7.789 4.681 -16.036 1.00 32.89 O ATOM 458 CG2 THR A 187 5.438 5.003 -16.380 1.00 28.31 C ATOM 459 HG1 THR A 187 8.631 5.098 -15.722 1.00 0.00 H ATOM 460 H THR A 187 8.818 7.103 -15.613 1.00 0.00 H ATOM 461 N GLN A 188 5.159 8.053 -17.798 1.00 35.70 N ATOM 462 CA GLN A 188 3.993 8.928 -17.833 1.00 40.42 C ATOM 463 C GLN A 188 2.716 8.137 -17.624 1.00 44.57 C ATOM 464 O GLN A 188 2.548 7.051 -18.183 1.00 50.95 O ATOM 465 CB GLN A 188 3.863 9.609 -19.198 1.00 43.05 C ATOM 466 CG GLN A 188 4.900 10.633 -19.545 1.00 47.99 C ATOM 467 CD GLN A 188 4.511 11.396 -20.805 1.00 52.20 C ATOM 468 OE1 GLN A 188 3.452 11.162 -21.374 1.00 49.71 O ATOM 469 NE2 GLN A 188 5.364 12.317 -21.231 1.00 58.61 N ATOM 470 HE22 GLN A 188 6.252 12.481 -20.715 1.00 0.00 H ATOM 471 HE21 GLN A 188 5.145 12.875 -22.081 1.00 0.00 H ATOM 472 H GLN A 188 5.436 7.559 -18.670 1.00 0.00 H ATOM 473 N LEU A 189 1.792 8.695 -16.855 1.00 34.66 N ATOM 474 CA LEU A 189 0.468 8.108 -16.766 1.00 35.81 C ATOM 475 C LEU A 189 -0.274 8.300 -18.078 1.00 41.03 C ATOM 476 O LEU A 189 -0.052 9.277 -18.793 1.00 39.82 O ATOM 477 CB LEU A 189 -0.310 8.690 -15.590 1.00 40.50 C ATOM 478 CG LEU A 189 0.333 8.378 -14.231 1.00 41.06 C ATOM 479 CD1 LEU A 189 -0.391 9.094 -13.100 1.00 37.07 C ATOM 480 CD2 LEU A 189 0.394 6.857 -13.980 1.00 37.26 C ATOM 481 H LEU A 189 2.016 9.555 -16.315 1.00 0.00 H ATOM 482 N ARG A 190 -1.123 7.335 -18.415 1.00 34.91 N ATOM 483 CA ARG A 190 -1.958 7.430 -19.606 1.00 36.32 C ATOM 484 C ARG A 190 -3.378 7.061 -19.238 1.00 35.06 C ATOM 485 O ARG A 190 -3.591 6.236 -18.352 1.00 30.31 O ATOM 486 CB ARG A 190 -1.444 6.477 -20.691 1.00 44.64 C ATOM 487 CG ARG A 190 -0.201 6.969 -21.387 1.00 49.63 C ATOM 488 CD ARG A 190 -0.583 7.942 -22.479 1.00 60.35 C ATOM 489 NE ARG A 190 0.541 8.734 -22.962 1.00 70.35 N ATOM 490 CZ ARG A 190 1.530 8.253 -23.708 1.00 82.66 C ATOM 491 NH1 ARG A 190 1.559 6.965 -24.037 1.00 86.88 N ATOM 492 NH2 ARG A 190 2.506 9.057 -24.110 1.00 86.48 N ATOM 493 HE ARG A 190 0.571 9.742 -22.706 1.00 0.00 H ATOM 494 HH12 ARG A 190 2.336 6.595 -24.621 1.00 0.00 H ATOM 495 HH11 ARG A 190 0.805 6.328 -23.710 1.00 0.00 H ATOM 496 HH22 ARG A 190 3.281 8.683 -24.694 1.00 0.00 H ATOM 497 HH21 ARG A 190 2.496 10.062 -23.841 1.00 0.00 H ATOM 498 H ARG A 190 -1.194 6.490 -17.813 1.00 0.00 H ATOM 499 N TYR A 191 -4.348 7.664 -19.919 1.00 32.14 N ATOM 500 CA TYR A 191 -5.740 7.327 -19.668 1.00 29.85 C ATOM 501 C TYR A 191 -5.972 5.835 -19.876 1.00 31.59 C ATOM 502 O TYR A 191 -5.512 5.263 -20.862 1.00 40.43 O ATOM 503 CB TYR A 191 -6.677 8.105 -20.594 1.00 38.53 C ATOM 504 CG TYR A 191 -8.126 7.936 -20.210 1.00 35.87 C ATOM 505 CD1 TYR A 191 -8.908 6.941 -20.776 1.00 44.43 C ATOM 506 CD2 TYR A 191 -8.700 8.757 -19.251 1.00 46.24 C ATOM 507 CE1 TYR A 191 -10.232 6.781 -20.406 1.00 47.13 C ATOM 508 CE2 TYR A 191 -10.011 8.607 -18.876 1.00 44.73 C ATOM 509 CZ TYR A 191 -10.772 7.623 -19.451 1.00 52.50 C ATOM 510 OH TYR A 191 -12.082 7.492 -19.063 1.00 62.14 O ATOM 511 HH TYR A 191 -12.499 6.745 -19.561 1.00 0.00 H ATOM 512 H TYR A 191 -4.110 8.380 -20.635 1.00 0.00 H ATOM 513 N GLY A 192 -6.687 5.210 -18.947 1.00 31.65 N ATOM 514 CA GLY A 192 -7.007 3.803 -19.059 1.00 33.95 C ATOM 515 C GLY A 192 -5.960 2.869 -18.459 1.00 39.79 C ATOM 516 O GLY A 192 -6.190 1.654 -18.395 1.00 34.91 O ATOM 517 H GLY A 192 -7.024 5.744 -18.121 1.00 0.00 H ATOM 518 N ASP A 193 -4.816 3.419 -18.038 1.00 30.97 N ATOM 519 CA ASP A 193 -3.787 2.612 -17.384 1.00 28.21 C ATOM 520 C ASP A 193 -4.398 1.814 -16.237 1.00 27.94 C ATOM 521 O ASP A 193 -5.258 2.318 -15.513 1.00 34.23 O ATOM 522 CB ASP A 193 -2.686 3.501 -16.807 1.00 26.70 C ATOM 523 CG ASP A 193 -1.630 3.884 -17.827 1.00 34.72 C ATOM 524 OD1 ASP A 193 -1.647 3.341 -18.949 1.00 32.94 O ATOM 525 OD2 ASP A 193 -0.771 4.722 -17.477 1.00 32.33 O ATOM 526 H ASP A 193 -4.656 4.437 -18.178 1.00 0.00 H ATOM 527 N ARG A 194 -3.939 0.581 -16.078 1.00 31.48 N ATOM 528 CA ARG A 194 -4.254 -0.218 -14.906 1.00 26.50 C ATOM 529 C ARG A 194 -3.028 -0.184 -14.000 1.00 29.57 C ATOM 530 O ARG A 194 -1.986 -0.752 -14.329 1.00 30.33 O ATOM 531 CB ARG A 194 -4.549 -1.664 -15.300 1.00 35.98 C ATOM 532 CG ARG A 194 -5.978 -1.949 -15.751 1.00 45.15 C ATOM 533 CD ARG A 194 -6.165 -3.437 -16.056 1.00 54.59 C ATOM 534 NE ARG A 194 -5.956 -4.279 -14.875 1.00 49.42 N ATOM 535 CZ ARG A 194 -5.603 -5.562 -14.916 1.00 53.50 C ATOM 536 NH1 ARG A 194 -5.407 -6.168 -16.078 1.00 51.37 N ATOM 537 NH2 ARG A 194 -5.432 -6.242 -13.792 1.00 50.12 N ATOM 538 HE ARG A 194 -6.093 -3.844 -13.940 1.00 0.00 H ATOM 539 HH12 ARG A 194 -5.131 -7.171 -16.102 1.00 0.00 H ATOM 540 HH11 ARG A 194 -5.529 -5.641 -16.966 1.00 0.00 H ATOM 541 HH22 ARG A 194 -5.156 -7.244 -13.827 1.00 0.00 H ATOM 542 HH21 ARG A 194 -5.574 -5.774 -12.874 1.00 0.00 H ATOM 543 H ARG A 194 -3.333 0.171 -16.817 1.00 0.00 H ATOM 544 N LEU A 195 -3.150 0.508 -12.874 1.00 25.06 N ATOM 545 CA LEU A 195 -2.025 0.721 -11.989 1.00 21.49 C ATOM 546 C LEU A 195 -2.051 -0.315 -10.882 1.00 23.87 C ATOM 547 O LEU A 195 -3.045 -0.439 -10.169 1.00 33.96 O ATOM 548 CB LEU A 195 -2.125 2.113 -11.331 1.00 20.24 C ATOM 549 CG LEU A 195 -2.437 3.267 -12.291 1.00 28.46 C ATOM 550 CD1 LEU A 195 -2.810 4.506 -11.474 1.00 31.59 C ATOM 551 CD2 LEU A 195 -1.243 3.524 -13.197 1.00 27.60 C ATOM 552 H LEU A 195 -4.077 0.907 -12.622 1.00 0.00 H ATOM 553 N ILE A 196 -0.943 -1.016 -10.719 1.00 20.77 N ATOM 554 CA ILE A 196 -0.798 -1.957 -9.610 1.00 21.88 C ATOM 555 C ILE A 196 0.086 -1.263 -8.599 1.00 29.61 C ATOM 556 O ILE A 196 1.244 -0.952 -8.884 1.00 26.12 O ATOM 557 CB ILE A 196 -0.190 -3.268 -10.095 1.00 26.23 C ATOM 558 CG1 ILE A 196 -1.013 -3.774 -11.284 1.00 26.71 C ATOM 559 CG2 ILE A 196 -0.118 -4.313 -8.958 1.00 24.24 C ATOM 560 CD1 ILE A 196 -2.515 -3.937 -10.984 1.00 31.79 C ATOM 561 H ILE A 196 -0.159 -0.896 -11.392 1.00 0.00 H ATOM 562 N VAL A 197 -0.481 -0.982 -7.432 1.00 23.89 N ATOM 563 CA VAL A 197 0.202 -0.163 -6.447 1.00 27.88 C ATOM 564 C VAL A 197 0.305 -0.864 -5.100 1.00 33.41 C ATOM 565 O VAL A 197 -0.496 -1.734 -4.758 1.00 29.14 O ATOM 566 CB VAL A 197 -0.505 1.188 -6.254 1.00 32.22 C ATOM 567 CG1 VAL A 197 -0.762 1.847 -7.589 1.00 41.97 C ATOM 568 CG2 VAL A 197 -1.815 1.001 -5.501 1.00 36.42 C ATOM 569 H VAL A 197 -1.429 -1.354 -7.220 1.00 0.00 H ATOM 570 N THR A 198 1.304 -0.474 -4.332 1.00 31.78 N ATOM 571 CA THR A 198 1.404 -0.968 -2.973 1.00 30.45 C ATOM 572 C THR A 198 1.598 0.205 -2.011 1.00 36.15 C ATOM 573 O THR A 198 2.188 1.231 -2.370 1.00 33.30 O ATOM 574 CB THR A 198 2.511 -1.999 -2.836 1.00 33.85 C ATOM 575 OG1 THR A 198 2.314 -2.732 -1.619 1.00 32.90 O ATOM 576 CG2 THR A 198 3.868 -1.339 -2.842 1.00 26.95 C ATOM 577 HG1 THR A 198 1.435 -3.186 -1.647 1.00 0.00 H ATOM 578 H THR A 198 2.018 0.186 -4.701 1.00 0.00 H ATOM 579 N GLY A 199 1.059 0.057 -0.807 1.00 38.83 N ATOM 580 CA GLY A 199 1.077 1.123 0.182 1.00 43.86 C ATOM 581 C GLY A 199 -0.011 0.870 1.209 1.00 48.95 C ATOM 582 O GLY A 199 -0.771 -0.092 1.092 1.00 52.87 O ATOM 583 H GLY A 199 0.610 -0.849 -0.564 1.00 0.00 H ATOM 584 N ALA A 200 -0.101 1.722 2.221 1.00 50.42 N ATOM 585 CA ALA A 200 -1.141 1.531 3.226 1.00 58.65 C ATOM 586 C ALA A 200 -2.507 1.899 2.654 1.00 52.77 C ATOM 587 O ALA A 200 -2.639 2.888 1.936 1.00 50.25 O ATOM 588 CB ALA A 200 -0.836 2.312 4.486 1.00 67.23 C ATOM 589 H ALA A 200 0.563 2.519 2.298 1.00 0.00 H ATOM 590 N LYS A 201 -3.503 1.073 2.975 1.00 50.35 N ATOM 591 CA LYS A 201 -4.858 1.154 2.422 1.00 49.44 C ATOM 592 C LYS A 201 -5.426 2.575 2.354 1.00 54.99 C ATOM 593 O LYS A 201 -6.140 2.920 1.406 1.00 52.42 O ATOM 594 CB LYS A 201 -5.786 0.234 3.227 1.00 56.96 C ATOM 595 CG LYS A 201 -7.279 0.404 2.973 1.00 71.11 C ATOM 596 CD LYS A 201 -7.739 -0.267 1.688 1.00 72.28 C ATOM 597 CE LYS A 201 -9.265 -0.315 1.630 1.00 80.75 C ATOM 598 NZ LYS A 201 -9.797 -0.664 0.281 1.00 80.95 N ATOM 599 HZ1 LYS A 201 -9.480 0.046 -0.410 1.00 0.00 H ATOM 600 HZ2 LYS A 201 -9.444 -1.602 0.002 1.00 0.00 H ATOM 601 HZ3 LYS A 201 -10.836 -0.679 0.313 1.00 0.00 H ATOM 602 H LYS A 201 -3.305 0.320 3.665 1.00 0.00 H ATOM 603 N GLU A 202 -5.085 3.395 3.349 1.00 61.18 N ATOM 604 CA GLU A 202 -5.542 4.785 3.430 1.00 61.42 C ATOM 605 C GLU A 202 -5.156 5.595 2.192 1.00 60.21 C ATOM 606 O GLU A 202 -6.022 6.129 1.491 1.00 65.19 O ATOM 607 CB GLU A 202 -4.960 5.468 4.672 1.00 75.03 C ATOM 608 CG GLU A 202 -5.026 4.636 5.952 1.00 88.27 C ATOM 609 CD GLU A 202 -3.733 3.882 6.236 1.00 92.14 C ATOM 610 OE1 GLU A 202 -3.796 2.668 6.522 1.00 85.25 O ATOM 611 OE2 GLU A 202 -2.654 4.509 6.185 1.00 98.73 O ATOM 612 H GLU A 202 -4.466 3.031 4.102 1.00 0.00 H ATOM 613 N TYR A 203 -3.850 5.682 1.942 1.00 56.52 N ATOM 614 CA TYR A 203 -3.301 6.397 0.792 1.00 52.09 C ATOM 615 C TYR A 203 -3.753 5.774 -0.531 1.00 47.32 C ATOM 616 O TYR A 203 -4.080 6.485 -1.483 1.00 43.89 O ATOM 617 CB TYR A 203 -1.772 6.419 0.859 1.00 65.83 C ATOM 618 CG TYR A 203 -1.200 6.497 2.260 1.00 82.78 C ATOM 619 CD1 TYR A 203 -0.490 5.432 2.798 1.00 91.85 C ATOM 620 CD2 TYR A 203 -1.367 7.631 3.043 1.00 87.19 C ATOM 621 CE1 TYR A 203 0.039 5.497 4.074 1.00100.94 C ATOM 622 CE2 TYR A 203 -0.845 7.702 4.324 1.00 97.12 C ATOM 623 CZ TYR A 203 -0.144 6.631 4.836 1.00104.28 C ATOM 624 OH TYR A 203 0.381 6.689 6.111 1.00110.40 O ATOM 625 HH TYR A 203 0.849 5.840 6.313 1.00 0.00 H ATOM 626 H TYR A 203 -3.189 5.218 2.598 1.00 0.00 H ATOM 627 N VAL A 204 -3.757 4.447 -0.586 1.00 49.26 N ATOM 628 CA VAL A 204 -4.314 3.733 -1.729 1.00 47.58 C ATOM 629 C VAL A 204 -5.750 4.173 -2.004 1.00 51.27 C ATOM 630 O VAL A 204 -6.096 4.533 -3.132 1.00 43.60 O ATOM 631 CB VAL A 204 -4.259 2.212 -1.514 1.00 50.07 C ATOM 632 CG1 VAL A 204 -5.173 1.502 -2.492 1.00 49.83 C ATOM 633 CG2 VAL A 204 -2.832 1.723 -1.657 1.00 49.87 C ATOM 634 H VAL A 204 -3.354 3.905 0.204 1.00 0.00 H ATOM 635 N ASP A 205 -6.585 4.166 -0.971 1.00 56.09 N ATOM 636 CA ASP A 205 -7.960 4.628 -1.122 1.00 50.98 C ATOM 637 C ASP A 205 -7.994 6.083 -1.573 1.00 46.70 C ATOM 638 O ASP A 205 -8.804 6.467 -2.421 1.00 46.03 O ATOM 639 CB ASP A 205 -8.733 4.464 0.187 1.00 59.03 C ATOM 640 CG ASP A 205 -9.339 3.083 0.343 1.00 71.67 C ATOM 641 OD1 ASP A 205 -9.426 2.353 -0.662 1.00 70.31 O ATOM 642 OD2 ASP A 205 -9.743 2.741 1.476 1.00 81.97 O ATOM 643 H ASP A 205 -6.255 3.827 -0.045 1.00 0.00 H ATOM 644 N GLU A 206 -7.100 6.883 -1.002 1.00 55.04 N ATOM 645 CA GLU A 206 -7.002 8.297 -1.327 1.00 58.87 C ATOM 646 C GLU A 206 -6.666 8.463 -2.804 1.00 58.63 C ATOM 647 O GLU A 206 -7.330 9.206 -3.538 1.00 56.59 O ATOM 648 CB GLU A 206 -5.914 8.937 -0.474 1.00 73.72 C ATOM 649 CG GLU A 206 -6.135 10.392 -0.149 1.00 80.28 C ATOM 650 CD GLU A 206 -5.167 10.883 0.903 1.00 90.34 C ATOM 651 OE1 GLU A 206 -5.039 10.210 1.950 1.00 90.22 O ATOM 652 OE2 GLU A 206 -4.524 11.928 0.677 1.00 96.14 O ATOM 653 H GLU A 206 -6.447 6.484 -0.298 1.00 0.00 H ATOM 654 N LEU A 207 -5.633 7.753 -3.237 1.00 49.21 N ATOM 655 CA LEU A 207 -5.224 7.783 -4.632 1.00 43.00 C ATOM 656 C LEU A 207 -6.320 7.275 -5.555 1.00 33.98 C ATOM 657 O LEU A 207 -6.533 7.816 -6.645 1.00 42.14 O ATOM 658 CB LEU A 207 -3.974 6.942 -4.828 1.00 39.52 C ATOM 659 CG LEU A 207 -3.311 7.247 -6.169 1.00 49.03 C ATOM 660 CD1 LEU A 207 -2.505 8.512 -6.037 1.00 45.45 C ATOM 661 CD2 LEU A 207 -2.438 6.098 -6.633 1.00 51.79 C ATOM 662 H LEU A 207 -5.104 7.162 -2.564 1.00 0.00 H ATOM 663 N LYS A 208 -7.006 6.222 -5.126 1.00 46.36 N ATOM 664 CA LYS A 208 -8.070 5.634 -5.925 1.00 46.99 C ATOM 665 C LYS A 208 -9.169 6.651 -6.244 1.00 51.54 C ATOM 666 O LYS A 208 -9.648 6.722 -7.381 1.00 53.07 O ATOM 667 CB LYS A 208 -8.655 4.410 -5.215 1.00 55.45 C ATOM 668 CG LYS A 208 -9.240 3.370 -6.155 1.00 55.94 C ATOM 669 CD LYS A 208 -9.887 2.216 -5.398 1.00 63.56 C ATOM 670 CE LYS A 208 -10.465 1.179 -6.357 1.00 68.52 C ATOM 671 NZ LYS A 208 -11.453 0.276 -5.689 1.00 76.75 N ATOM 672 HZ1 LYS A 208 -10.986 -0.230 -4.910 1.00 0.00 H ATOM 673 HZ2 LYS A 208 -12.240 0.843 -5.314 1.00 0.00 H ATOM 674 HZ3 LYS A 208 -11.817 -0.410 -6.381 1.00 0.00 H ATOM 675 H LYS A 208 -6.778 5.809 -4.199 1.00 0.00 H ATOM 676 N GLN A 209 -9.556 7.443 -5.243 1.00 45.96 N ATOM 677 CA GLN A 209 -10.582 8.458 -5.434 1.00 57.70 C ATOM 678 C GLN A 209 -10.197 9.499 -6.480 1.00 54.33 C ATOM 679 O GLN A 209 -11.013 9.853 -7.332 1.00 48.96 O ATOM 680 CB GLN A 209 -10.930 9.140 -4.111 1.00 63.61 C ATOM 681 CG GLN A 209 -12.199 8.607 -3.475 1.00 72.73 C ATOM 682 CD GLN A 209 -12.816 9.587 -2.498 1.00 84.31 C ATOM 683 OE1 GLN A 209 -13.094 9.241 -1.348 1.00 86.43 O ATOM 684 NE2 GLN A 209 -13.040 10.817 -2.952 1.00 86.97 N ATOM 685 HE22 GLN A 209 -12.789 11.064 -3.931 1.00 0.00 H ATOM 686 HE21 GLN A 209 -13.466 11.532 -2.328 1.00 0.00 H ATOM 687 H GLN A 209 -9.116 7.333 -4.307 1.00 0.00 H ATOM 688 N GLU A 210 -8.955 9.976 -6.418 1.00 56.47 N ATOM 689 CA GLU A 210 -8.478 10.979 -7.371 1.00 55.52 C ATOM 690 C GLU A 210 -8.345 10.415 -8.783 1.00 47.22 C ATOM 691 O GLU A 210 -8.721 11.061 -9.762 1.00 53.90 O ATOM 692 CB GLU A 210 -7.140 11.576 -6.919 1.00 52.72 C ATOM 693 CG GLU A 210 -7.196 13.065 -6.596 1.00 71.46 C ATOM 694 CD GLU A 210 -7.928 13.826 -7.700 1.00 76.65 C ATOM 695 OE1 GLU A 210 -7.298 14.702 -8.333 1.00 79.18 O ATOM 696 OE2 GLU A 210 -9.134 13.569 -7.922 1.00 77.65 O ATOM 697 H GLU A 210 -8.312 9.629 -5.678 1.00 0.00 H ATOM 698 N LEU A 211 -7.823 9.198 -8.888 1.00 37.67 N ATOM 699 CA LEU A 211 -7.530 8.619 -10.205 1.00 33.26 C ATOM 700 C LEU A 211 -8.732 8.014 -10.962 1.00 28.60 C ATOM 701 O LEU A 211 -8.884 8.260 -12.161 1.00 40.36 O ATOM 702 CB LEU A 211 -6.342 7.649 -10.117 1.00 36.19 C ATOM 703 CG LEU A 211 -5.034 8.334 -9.724 1.00 35.31 C ATOM 704 CD1 LEU A 211 -3.841 7.381 -9.777 1.00 30.17 C ATOM 705 CD2 LEU A 211 -4.797 9.538 -10.645 1.00 37.37 C ATOM 706 H LEU A 211 -7.620 8.649 -8.028 1.00 0.00 H ATOM 707 N GLU A 212 -9.602 7.255 -10.297 1.00 43.47 N ATOM 708 CA GLU A 212 -10.740 6.668 -11.015 1.00 44.22 C ATOM 709 C GLU A 212 -12.102 7.188 -10.567 1.00 43.59 C ATOM 710 O GLU A 212 -12.856 7.114 -11.535 1.00 56.14 O ATOM 711 CB GLU A 212 -10.698 5.131 -10.986 1.00 58.96 C ATOM 712 CG GLU A 212 -10.916 4.474 -9.631 1.00 60.34 C ATOM 713 CD GLU A 212 -10.911 2.943 -9.724 1.00 64.43 C ATOM 714 OE1 GLU A 212 -11.992 2.329 -9.591 1.00 62.87 O ATOM 715 OE2 GLU A 212 -9.829 2.348 -9.933 1.00 54.46 O ATOM 716 H GLU A 212 -9.476 7.080 -9.280 1.00 0.00 H TER 717 GLU A 212 ATOM 718 N THR B 143 1.526 -10.602 -10.898 1.00 40.94 N ATOM 719 CA THR B 143 2.769 -9.847 -10.832 1.00 40.38 C ATOM 720 C THR B 143 3.722 -10.653 -9.971 1.00 32.30 C ATOM 721 O THR B 143 3.411 -10.952 -8.825 1.00 30.60 O ATOM 722 CB THR B 143 2.542 -8.473 -10.174 1.00 41.06 C ATOM 723 OG1 THR B 143 1.645 -7.690 -10.974 1.00 36.20 O ATOM 724 CG2 THR B 143 3.862 -7.726 -10.003 1.00 33.93 C ATOM 725 HG1 THR B 143 2.035 -7.561 -11.875 1.00 0.00 H ATOM 726 HN3 THR B 143 1.145 -10.725 -9.938 1.00 0.00 H ATOM 727 HN2 THR B 143 1.710 -11.534 -11.321 1.00 0.00 H ATOM 728 HN1 THR B 143 0.838 -10.085 -11.482 1.00 0.00 H ATOM 729 N SER B 144 4.863 -11.040 -10.521 1.00 29.47 N ATOM 730 CA SER B 144 5.796 -11.839 -9.753 1.00 33.36 C ATOM 731 C SER B 144 6.578 -10.926 -8.823 1.00 36.79 C ATOM 732 O SER B 144 7.036 -9.858 -9.237 1.00 35.74 O ATOM 733 CB SER B 144 6.723 -12.640 -10.670 1.00 41.16 C ATOM 734 OG SER B 144 6.057 -13.773 -11.199 1.00 50.57 O ATOM 735 HG SER B 144 6.676 -14.273 -11.787 1.00 0.00 H ATOM 736 H SER B 144 5.088 -10.771 -11.500 1.00 0.00 H ATOM 737 N LEU B 145 6.699 -11.333 -7.560 1.00 34.16 N ATOM 738 CA LEU B 145 7.607 -10.669 -6.627 1.00 28.21 C ATOM 739 C LEU B 145 8.629 -11.690 -6.153 1.00 29.20 C ATOM 740 O LEU B 145 8.323 -12.885 -6.021 1.00 29.23 O ATOM 741 CB LEU B 145 6.854 -10.072 -5.429 1.00 28.26 C ATOM 742 CG LEU B 145 5.639 -9.199 -5.705 1.00 31.65 C ATOM 743 CD1 LEU B 145 4.907 -8.947 -4.396 1.00 31.97 C ATOM 744 CD2 LEU B 145 6.061 -7.896 -6.375 1.00 29.84 C ATOM 745 H LEU B 145 6.134 -12.142 -7.231 1.00 0.00 H ATOM 746 N TYR B 146 9.858 -11.236 -5.933 1.00 24.79 N ATOM 747 CA TYR B 146 10.910 -12.122 -5.468 1.00 24.53 C ATOM 748 C TYR B 146 11.532 -11.527 -4.217 1.00 29.60 C ATOM 749 O TYR B 146 11.756 -10.326 -4.158 1.00 28.54 O ATOM 750 CB TYR B 146 11.964 -12.305 -6.567 1.00 30.52 C ATOM 751 CG TYR B 146 11.378 -12.807 -7.877 1.00 32.83 C ATOM 752 CD1 TYR B 146 11.200 -14.169 -8.123 1.00 37.28 C ATOM 753 CD2 TYR B 146 10.986 -11.909 -8.864 1.00 35.81 C ATOM 754 CE1 TYR B 146 10.658 -14.617 -9.350 1.00 36.97 C ATOM 755 CE2 TYR B 146 10.442 -12.343 -10.062 1.00 33.42 C ATOM 756 CZ TYR B 146 10.283 -13.685 -10.306 1.00 38.93 C ATOM 757 OH TYR B 146 9.742 -14.067 -11.523 1.00 42.09 O ATOM 758 HH TYR B 146 9.686 -15.055 -11.562 1.00 0.00 H ATOM 759 H TYR B 146 10.070 -10.231 -6.096 1.00 0.00 H ATOM 760 N GLU B 147 11.791 -12.367 -3.214 1.00 32.83 N ATOM 761 CA GLU B 147 12.491 -11.917 -2.011 1.00 27.53 C ATOM 762 C GLU B 147 14.001 -12.123 -2.128 1.00 25.85 C ATOM 763 O GLU B 147 14.478 -13.180 -2.552 1.00 30.44 O ATOM 764 CB GLU B 147 11.978 -12.656 -0.776 1.00 35.78 C ATOM 765 CG GLU B 147 12.849 -12.463 0.460 1.00 32.36 C ATOM 766 CD GLU B 147 12.197 -12.975 1.718 1.00 46.05 C ATOM 767 OE1 GLU B 147 11.110 -13.572 1.606 1.00 41.56 O ATOM 768 OE2 GLU B 147 12.762 -12.769 2.817 1.00 49.37 O ATOM 769 H GLU B 147 11.490 -13.360 -3.288 1.00 0.00 H ATOM 770 N ILE B 148 14.754 -11.094 -1.747 1.00 29.91 N ATOM 771 CA ILE B 148 16.211 -11.136 -1.774 1.00 24.96 C ATOM 772 C ILE B 148 16.713 -10.644 -0.420 1.00 30.75 C ATOM 773 O ILE B 148 16.313 -9.587 0.057 1.00 28.41 O ATOM 774 CB ILE B 148 16.778 -10.208 -2.849 1.00 30.22 C ATOM 775 CG1 ILE B 148 16.173 -10.536 -4.219 1.00 30.24 C ATOM 776 CG2 ILE B 148 18.295 -10.328 -2.889 1.00 32.72 C ATOM 777 CD1 ILE B 148 16.748 -9.697 -5.346 1.00 25.60 C ATOM 778 H ILE B 148 14.285 -10.226 -1.417 1.00 0.00 H ATOM 779 N GLN B 149 17.574 -11.416 0.215 1.00 23.48 N ATOM 780 CA GLN B 149 18.091 -10.992 1.504 1.00 26.78 C ATOM 781 C GLN B 149 19.292 -10.088 1.311 1.00 26.50 C ATOM 782 O GLN B 149 20.151 -10.370 0.481 1.00 28.99 O ATOM 783 CB GLN B 149 18.488 -12.212 2.328 1.00 27.49 C ATOM 784 CG GLN B 149 17.325 -13.092 2.742 1.00 31.10 C ATOM 785 CD GLN B 149 17.795 -14.436 3.221 1.00 35.29 C ATOM 786 OE1 GLN B 149 18.619 -15.085 2.569 1.00 30.12 O ATOM 787 NE2 GLN B 149 17.288 -14.868 4.375 1.00 47.19 N ATOM 788 HE22 GLN B 149 16.596 -14.286 4.889 1.00 0.00 H ATOM 789 HE21 GLN B 149 17.584 -15.787 4.762 1.00 0.00 H ATOM 790 H GLN B 149 17.879 -12.318 -0.203 1.00 0.00 H HETATM 791 N MSE B 150 19.366 -9.001 2.073 1.00 26.18 N HETATM 792 CA MSE B 150 20.497 -8.097 1.902 1.00 33.33 C HETATM 793 C MSE B 150 21.640 -8.539 2.811 1.00 32.92 C HETATM 794 O MSE B 150 21.747 -8.111 3.964 1.00 31.01 O HETATM 795 CB MSE B 150 20.112 -6.659 2.209 1.00 33.30 C HETATM 796 CG MSE B 150 20.771 -5.673 1.257 1.00 37.66 C HETATM 797 SE MSE B 150 22.722 -5.749 1.324 1.00 45.85 S HETATM 798 CE MSE B 150 23.006 -4.877 3.014 1.00 42.06 C HETATM 799 H MSE B 150 18.630 -8.799 2.779 1.00 0.00 H ATOM 800 N LEU B 151 22.503 -9.391 2.282 1.00 29.60 N ATOM 801 CA LEU B 151 23.520 -10.018 3.121 1.00 29.37 C ATOM 802 C LEU B 151 24.930 -9.541 2.800 1.00 27.48 C ATOM 803 O LEU B 151 25.917 -10.154 3.211 1.00 30.36 O ATOM 804 CB LEU B 151 23.416 -11.534 2.995 1.00 31.92 C ATOM 805 CG LEU B 151 22.019 -12.008 3.371 1.00 31.90 C ATOM 806 CD1 LEU B 151 21.850 -13.504 3.141 1.00 29.80 C ATOM 807 CD2 LEU B 151 21.733 -11.621 4.807 1.00 30.43 C ATOM 808 H LEU B 151 22.457 -9.614 1.267 1.00 0.00 H ATOM 809 N ASN B 152 25.012 -8.456 2.052 1.00 30.71 N ATOM 810 CA ASN B 152 26.288 -7.952 1.580 1.00 37.71 C ATOM 811 C ASN B 152 26.552 -6.599 2.197 1.00 37.99 C ATOM 812 O ASN B 152 25.963 -5.589 1.792 1.00 34.48 O ATOM 813 CB ASN B 152 26.295 -7.830 0.053 1.00 37.90 C ATOM 814 CG ASN B 152 27.699 -7.723 -0.510 1.00 40.85 C ATOM 815 OD1 ASN B 152 28.636 -7.372 0.203 1.00 37.10 O ATOM 816 ND2 ASN B 152 27.853 -8.041 -1.792 1.00 36.75 N ATOM 817 HD22 ASN B 152 27.031 -8.333 -2.358 1.00 0.00 H ATOM 818 HD21 ASN B 152 28.796 -7.998 -2.229 1.00 0.00 H ATOM 819 H ASN B 152 24.140 -7.950 1.795 1.00 0.00 H ATOM 820 N TYR B 153 27.431 -6.597 3.194 1.00 32.90 N ATOM 821 CA TYR B 153 27.850 -5.378 3.882 1.00 38.75 C ATOM 822 C TYR B 153 28.396 -4.316 2.929 1.00 45.61 C ATOM 823 O TYR B 153 28.422 -3.121 3.261 1.00 42.90 O ATOM 824 CB TYR B 153 28.923 -5.714 4.914 1.00 39.79 C ATOM 825 CG TYR B 153 28.385 -6.280 6.199 1.00 40.91 C ATOM 826 CD1 TYR B 153 27.622 -5.496 7.055 1.00 43.48 C ATOM 827 CD2 TYR B 153 28.648 -7.588 6.563 1.00 42.19 C ATOM 828 CE1 TYR B 153 27.133 -6.005 8.243 1.00 50.80 C ATOM 829 CE2 TYR B 153 28.161 -8.110 7.753 1.00 48.04 C ATOM 830 CZ TYR B 153 27.406 -7.309 8.589 1.00 47.13 C ATOM 831 OH TYR B 153 26.915 -7.812 9.774 1.00 45.35 O ATOM 832 HH TYR B 153 26.401 -7.107 10.243 1.00 0.00 H ATOM 833 H TYR B 153 27.839 -7.504 3.498 1.00 0.00 H ATOM 834 N LYS B 154 28.843 -4.759 1.756 1.00 44.87 N ATOM 835 CA LYS B 154 29.317 -3.855 0.713 1.00 47.95 C ATOM 836 C LYS B 154 28.265 -2.810 0.385 1.00 48.99 C ATOM 837 O LYS B 154 28.599 -1.665 0.102 1.00 51.75 O ATOM 838 CB LYS B 154 29.668 -4.638 -0.555 1.00 54.61 C ATOM 839 CG LYS B 154 30.009 -3.784 -1.773 1.00 69.19 C ATOM 840 CD LYS B 154 29.816 -4.565 -3.083 1.00 73.05 C ATOM 841 CE LYS B 154 31.017 -4.425 -4.022 1.00 82.41 C ATOM 842 NZ LYS B 154 30.626 -4.312 -5.464 1.00 81.56 N ATOM 843 HZ1 LYS B 154 30.101 -5.164 -5.747 1.00 0.00 H ATOM 844 HZ2 LYS B 154 30.024 -3.474 -5.594 1.00 0.00 H ATOM 845 HZ3 LYS B 154 31.482 -4.220 -6.048 1.00 0.00 H ATOM 846 H LYS B 154 28.855 -5.783 1.577 1.00 0.00 H ATOM 847 N TYR B 155 26.993 -3.195 0.446 1.00 47.54 N ATOM 848 CA TYR B 155 25.917 -2.304 0.026 1.00 54.44 C ATOM 849 C TYR B 155 25.155 -1.680 1.177 1.00 52.47 C ATOM 850 O TYR B 155 24.190 -0.955 0.955 1.00 52.20 O ATOM 851 CB TYR B 155 24.918 -3.054 -0.858 1.00 53.09 C ATOM 852 CG TYR B 155 25.479 -3.511 -2.175 1.00 55.29 C ATOM 853 CD1 TYR B 155 25.637 -2.620 -3.221 1.00 61.31 C ATOM 854 CD2 TYR B 155 25.840 -4.834 -2.381 1.00 55.40 C ATOM 855 CE1 TYR B 155 26.142 -3.026 -4.433 1.00 60.25 C ATOM 856 CE2 TYR B 155 26.349 -5.252 -3.599 1.00 58.77 C ATOM 857 CZ TYR B 155 26.497 -4.337 -4.619 1.00 60.35 C ATOM 858 OH TYR B 155 26.999 -4.725 -5.836 1.00 66.46 O ATOM 859 HH TYR B 155 26.413 -5.420 -6.227 1.00 0.00 H ATOM 860 H TYR B 155 26.762 -4.146 0.799 1.00 0.00 H ATOM 861 N GLU B 156 25.557 -1.977 2.403 1.00 50.04 N ATOM 862 CA GLU B 156 24.815 -1.486 3.553 1.00 49.39 C ATOM 863 C GLU B 156 24.879 0.043 3.634 1.00 49.68 C ATOM 864 O GLU B 156 25.881 0.657 3.260 1.00 52.33 O ATOM 865 CB GLU B 156 25.284 -2.153 4.854 1.00 49.07 C ATOM 866 CG GLU B 156 26.181 -1.324 5.714 1.00 54.53 C ATOM 867 CD GLU B 156 26.326 -1.917 7.105 1.00 61.69 C ATOM 868 OE1 GLU B 156 27.406 -1.756 7.710 1.00 58.28 O ATOM 869 OE2 GLU B 156 25.349 -2.536 7.587 1.00 62.39 O ATOM 870 H GLU B 156 26.405 -2.562 2.544 1.00 0.00 H ATOM 871 N ASN B 157 23.776 0.640 4.075 1.00 54.65 N ATOM 872 CA ASN B 157 23.622 2.094 4.124 1.00 59.98 C ATOM 873 C ASN B 157 23.524 2.810 2.767 1.00 67.73 C ATOM 874 O ASN B 157 23.223 3.998 2.724 1.00 73.21 O ATOM 875 CB ASN B 157 24.703 2.736 5.003 1.00 56.55 C ATOM 876 CG ASN B 157 24.739 2.154 6.394 1.00 64.03 C ATOM 877 OD1 ASN B 157 23.725 1.678 6.908 1.00 59.82 O ATOM 878 ND2 ASN B 157 25.914 2.189 7.017 1.00 65.82 N ATOM 879 HD22 ASN B 157 26.742 2.601 6.542 1.00 0.00 H ATOM 880 HD21 ASN B 157 26.004 1.804 7.979 1.00 0.00 H ATOM 881 H ASN B 157 22.986 0.046 4.400 1.00 0.00 H ATOM 882 N ILE B 158 23.752 2.094 1.668 1.00 68.14 N ATOM 883 CA ILE B 158 23.654 2.694 0.335 1.00 63.02 C ATOM 884 C ILE B 158 22.220 3.088 -0.038 1.00 66.88 C ATOM 885 O ILE B 158 21.271 2.336 0.204 1.00 62.68 O ATOM 886 CB ILE B 158 24.248 1.780 -0.761 1.00 67.41 C ATOM 887 CG1 ILE B 158 25.709 1.466 -0.457 1.00 73.22 C ATOM 888 CG2 ILE B 158 24.138 2.424 -2.141 1.00 71.78 C ATOM 889 CD1 ILE B 158 26.439 0.818 -1.606 1.00 76.57 C ATOM 890 H ILE B 158 24.005 1.089 1.757 1.00 0.00 H ATOM 891 N GLN B 159 22.087 4.276 -0.626 1.00 65.16 N ATOM 892 CA GLN B 159 20.802 4.834 -1.035 1.00 57.74 C ATOM 893 C GLN B 159 20.252 4.175 -2.278 1.00 50.19 C ATOM 894 O GLN B 159 20.994 3.915 -3.229 1.00 55.27 O ATOM 895 CB GLN B 159 20.957 6.305 -1.381 1.00 50.12 C ATOM 896 CG GLN B 159 21.205 7.237 -0.227 1.00 69.03 C ATOM 897 CD GLN B 159 21.032 8.670 -0.662 1.00 75.06 C ATOM 898 OE1 GLN B 159 20.188 9.396 -0.133 1.00 82.77 O ATOM 899 NE2 GLN B 159 21.816 9.083 -1.653 1.00 74.30 N ATOM 900 HE22 GLN B 159 22.514 8.434 -2.069 1.00 0.00 H ATOM 901 HE21 GLN B 159 21.731 10.055 -2.013 1.00 0.00 H ATOM 902 H GLN B 159 22.945 4.836 -0.803 1.00 0.00 H ATOM 903 N LEU B 160 18.940 3.959 -2.296 1.00 52.56 N ATOM 904 CA LEU B 160 18.284 3.424 -3.481 1.00 44.59 C ATOM 905 C LEU B 160 18.529 4.288 -4.717 1.00 41.14 C ATOM 906 O LEU B 160 18.744 3.765 -5.814 1.00 49.16 O ATOM 907 CB LEU B 160 16.782 3.240 -3.251 1.00 51.57 C ATOM 908 CG LEU B 160 16.328 1.988 -2.500 1.00 38.55 C ATOM 909 CD1 LEU B 160 14.840 1.739 -2.733 1.00 39.86 C ATOM 910 CD2 LEU B 160 17.158 0.760 -2.907 1.00 40.99 C ATOM 911 H LEU B 160 18.374 4.175 -1.451 1.00 0.00 H ATOM 912 N ARG B 161 18.524 5.607 -4.539 1.00 47.57 N ATOM 913 CA ARG B 161 18.844 6.506 -5.640 1.00 52.32 C ATOM 914 C ARG B 161 20.291 6.336 -6.077 1.00 61.84 C ATOM 915 O ARG B 161 20.661 6.757 -7.175 1.00 58.90 O ATOM 916 CB ARG B 161 18.587 7.959 -5.256 1.00 64.02 C ATOM 917 CG ARG B 161 19.736 8.877 -4.881 1.00 73.19 C ATOM 918 CD ARG B 161 19.479 10.282 -5.385 1.00 82.83 C ATOM 919 NE ARG B 161 18.147 10.747 -5.022 1.00 88.72 N ATOM 920 CZ ARG B 161 17.816 11.196 -3.817 1.00 88.78 C ATOM 921 NH1 ARG B 161 18.723 11.238 -2.850 1.00 87.35 N ATOM 922 NH2 ARG B 161 16.577 11.600 -3.579 1.00 89.19 N ATOM 923 HE ARG B 161 17.408 10.726 -5.753 1.00 0.00 H ATOM 924 HH12 ARG B 161 18.462 11.590 -1.907 1.00 0.00 H ATOM 925 HH11 ARG B 161 19.695 10.919 -3.035 1.00 0.00 H ATOM 926 HH22 ARG B 161 16.317 11.952 -2.635 1.00 0.00 H ATOM 927 HH21 ARG B 161 15.864 11.565 -4.336 1.00 0.00 H ATOM 928 H ARG B 161 18.289 6.000 -3.605 1.00 0.00 H ATOM 929 N ASN B 162 21.100 5.717 -5.217 1.00 61.36 N ATOM 930 CA ASN B 162 22.516 5.516 -5.505 1.00 72.37 C ATOM 931 C ASN B 162 22.895 4.063 -5.732 1.00 71.94 C ATOM 932 O ASN B 162 24.075 3.723 -5.751 1.00 76.15 O ATOM 933 CB ASN B 162 23.384 6.102 -4.393 1.00 75.11 C ATOM 934 CG ASN B 162 23.466 7.604 -4.461 1.00 80.08 C ATOM 935 OD1 ASN B 162 22.725 8.308 -3.777 1.00 82.61 O ATOM 936 ND2 ASN B 162 24.362 8.108 -5.300 1.00 87.21 N ATOM 937 HD22 ASN B 162 24.967 7.472 -5.858 1.00 0.00 H ATOM 938 HD21 ASN B 162 24.459 9.139 -5.400 1.00 0.00 H ATOM 939 H ASN B 162 20.712 5.368 -4.317 1.00 0.00 H ATOM 940 N PHE B 163 21.900 3.204 -5.906 1.00 55.88 N ATOM 941 CA PHE B 163 22.189 1.821 -6.217 1.00 56.10 C ATOM 942 C PHE B 163 22.413 1.675 -7.721 1.00 58.30 C ATOM 943 O PHE B 163 21.693 2.267 -8.522 1.00 61.27 O ATOM 944 CB PHE B 163 21.054 0.925 -5.722 1.00 58.63 C ATOM 945 CG PHE B 163 21.404 -0.523 -5.674 1.00 51.83 C ATOM 946 CD1 PHE B 163 22.075 -1.046 -4.586 1.00 51.54 C ATOM 947 CD2 PHE B 163 21.046 -1.367 -6.707 1.00 54.37 C ATOM 948 CE1 PHE B 163 22.395 -2.373 -4.535 1.00 50.17 C ATOM 949 CE2 PHE B 163 21.362 -2.702 -6.660 1.00 54.30 C ATOM 950 CZ PHE B 163 22.040 -3.206 -5.572 1.00 53.61 C ATOM 951 H PHE B 163 20.914 3.524 -5.819 1.00 0.00 H ATOM 952 N PRO B 164 23.440 0.905 -8.113 1.00 70.12 N ATOM 953 CA PRO B 164 23.763 0.710 -9.532 1.00 72.90 C ATOM 954 C PRO B 164 22.921 -0.377 -10.192 1.00 71.97 C ATOM 955 O PRO B 164 23.361 -1.523 -10.291 1.00 74.31 O ATOM 956 CB PRO B 164 25.232 0.282 -9.494 1.00 71.33 C ATOM 957 CG PRO B 164 25.370 -0.409 -8.189 1.00 76.57 C ATOM 958 CD PRO B 164 24.452 0.301 -7.229 1.00 75.08 C ATOM 959 N PHE B 165 21.728 -0.013 -10.652 1.00 71.80 N ATOM 960 CA PHE B 165 20.836 -0.972 -11.288 1.00 70.87 C ATOM 961 C PHE B 165 21.320 -1.344 -12.682 1.00 70.55 C ATOM 962 O PHE B 165 21.582 -0.472 -13.516 1.00 66.21 O ATOM 963 CB PHE B 165 19.408 -0.426 -11.368 1.00 71.40 C ATOM 964 CG PHE B 165 18.820 -0.061 -10.037 1.00 69.99 C ATOM 965 CD1 PHE B 165 18.383 -1.043 -9.168 1.00 63.42 C ATOM 966 CD2 PHE B 165 18.695 1.267 -9.660 1.00 68.86 C ATOM 967 CE1 PHE B 165 17.835 -0.707 -7.950 1.00 62.38 C ATOM 968 CE2 PHE B 165 18.150 1.607 -8.439 1.00 63.80 C ATOM 969 CZ PHE B 165 17.722 0.622 -7.585 1.00 60.29 C ATOM 970 H PHE B 165 21.426 0.977 -10.556 1.00 0.00 H ATOM 971 N GLY B 166 21.433 -2.646 -12.926 1.00 62.12 N ATOM 972 CA GLY B 166 21.844 -3.144 -14.222 1.00 66.06 C ATOM 973 C GLY B 166 20.672 -3.789 -14.923 1.00 68.72 C ATOM 974 O GLY B 166 20.842 -4.672 -15.764 1.00 72.78 O ATOM 975 H GLY B 166 21.221 -3.324 -12.167 1.00 0.00 H ATOM 976 N GLY B 167 19.471 -3.341 -14.572 1.00 64.97 N ATOM 977 CA GLY B 167 18.268 -3.938 -15.109 1.00 60.69 C ATOM 978 C GLY B 167 16.986 -3.240 -14.705 1.00 50.30 C ATOM 979 O GLY B 167 16.978 -2.284 -13.922 1.00 54.44 O ATOM 980 H GLY B 167 19.395 -2.550 -13.901 1.00 0.00 H ATOM 981 N ASP B 168 15.894 -3.742 -15.265 1.00 36.11 N ATOM 982 CA ASP B 168 14.570 -3.185 -15.067 1.00 37.42 C ATOM 983 C ASP B 168 13.984 -3.840 -13.827 1.00 34.55 C ATOM 984 O ASP B 168 13.597 -5.013 -13.855 1.00 40.46 O ATOM 985 CB ASP B 168 13.715 -3.498 -16.292 1.00 40.53 C ATOM 986 CG ASP B 168 12.465 -2.652 -16.374 1.00 46.80 C ATOM 987 OD1 ASP B 168 12.312 -1.699 -15.562 1.00 40.81 O ATOM 988 OD2 ASP B 168 11.642 -2.940 -17.276 1.00 41.66 O ATOM 989 H ASP B 168 15.992 -4.577 -15.877 1.00 0.00 H ATOM 990 N ILE B 169 13.947 -3.082 -12.737 1.00 33.97 N ATOM 991 CA ILE B 169 13.528 -3.621 -11.449 1.00 31.06 C ATOM 992 C ILE B 169 12.975 -2.532 -10.543 1.00 25.02 C ATOM 993 O ILE B 169 13.413 -1.382 -10.599 1.00 34.28 O ATOM 994 CB ILE B 169 14.705 -4.357 -10.738 1.00 40.42 C ATOM 995 CG1 ILE B 169 14.181 -5.286 -9.643 1.00 52.05 C ATOM 996 CG2 ILE B 169 15.696 -3.368 -10.143 1.00 51.18 C ATOM 997 CD1 ILE B 169 15.229 -6.209 -9.094 1.00 58.45 C ATOM 998 H ILE B 169 14.223 -2.082 -12.804 1.00 0.00 H ATOM 999 N ILE B 170 11.988 -2.886 -9.724 1.00 25.34 N ATOM 1000 CA ILE B 170 11.507 -1.973 -8.690 1.00 23.77 C ATOM 1001 C ILE B 170 11.540 -2.713 -7.350 1.00 24.59 C ATOM 1002 O ILE B 170 11.208 -3.883 -7.314 1.00 23.90 O ATOM 1003 CB ILE B 170 10.046 -1.515 -8.981 1.00 32.44 C ATOM 1004 CG1 ILE B 170 10.036 -0.289 -9.900 1.00 36.39 C ATOM 1005 CG2 ILE B 170 9.318 -1.174 -7.698 1.00 40.59 C ATOM 1006 CD1 ILE B 170 10.753 0.942 -9.325 1.00 34.31 C ATOM 1007 H ILE B 170 11.553 -3.826 -9.821 1.00 0.00 H ATOM 1008 N PHE B 171 11.946 -2.036 -6.269 1.00 26.11 N ATOM 1009 CA PHE B 171 11.816 -2.582 -4.920 1.00 28.02 C ATOM 1010 C PHE B 171 10.414 -2.257 -4.423 1.00 30.70 C ATOM 1011 O PHE B 171 10.091 -1.092 -4.184 1.00 37.59 O ATOM 1012 CB PHE B 171 12.824 -1.929 -3.976 1.00 32.18 C ATOM 1013 CG PHE B 171 14.239 -2.413 -4.146 1.00 36.95 C ATOM 1014 CD1 PHE B 171 14.895 -2.284 -5.349 1.00 44.66 C ATOM 1015 CD2 PHE B 171 14.927 -2.959 -3.070 1.00 45.38 C ATOM 1016 CE1 PHE B 171 16.199 -2.720 -5.492 1.00 50.24 C ATOM 1017 CE2 PHE B 171 16.228 -3.392 -3.205 1.00 38.89 C ATOM 1018 CZ PHE B 171 16.867 -3.265 -4.415 1.00 38.19 C ATOM 1019 H PHE B 171 12.367 -1.093 -6.393 1.00 0.00 H ATOM 1020 N VAL B 172 9.586 -3.282 -4.274 1.00 27.65 N ATOM 1021 CA VAL B 172 8.179 -3.096 -3.910 1.00 28.55 C ATOM 1022 C VAL B 172 8.029 -2.857 -2.409 1.00 39.71 C ATOM 1023 O VAL B 172 7.224 -2.017 -1.970 1.00 30.94 O ATOM 1024 CB VAL B 172 7.373 -4.336 -4.327 1.00 28.42 C ATOM 1025 CG1 VAL B 172 5.953 -4.264 -3.826 1.00 29.30 C ATOM 1026 CG2 VAL B 172 7.421 -4.505 -5.862 1.00 31.08 C ATOM 1027 H VAL B 172 9.946 -4.247 -4.420 1.00 0.00 H ATOM 1028 N ARG B 173 8.795 -3.623 -1.629 1.00 34.86 N ATOM 1029 CA ARG B 173 8.790 -3.509 -0.177 1.00 33.61 C ATOM 1030 C ARG B 173 10.159 -3.890 0.372 1.00 39.58 C ATOM 1031 O ARG B 173 10.855 -4.716 -0.220 1.00 33.60 O ATOM 1032 CB ARG B 173 7.749 -4.451 0.440 1.00 37.51 C ATOM 1033 CG ARG B 173 6.322 -4.205 0.031 1.00 49.30 C ATOM 1034 CD ARG B 173 5.390 -4.230 1.201 1.00 47.76 C ATOM 1035 NE ARG B 173 4.160 -3.514 0.888 1.00 52.03 N ATOM 1036 CZ ARG B 173 3.269 -3.149 1.801 1.00 59.12 C ATOM 1037 NH1 ARG B 173 3.481 -3.440 3.074 1.00 61.32 N ATOM 1038 NH2 ARG B 173 2.173 -2.496 1.443 1.00 49.97 N ATOM 1039 HE ARG B 173 3.970 -3.276 -0.106 1.00 0.00 H ATOM 1040 HH12 ARG B 173 2.787 -3.157 3.795 1.00 0.00 H ATOM 1041 HH11 ARG B 173 4.342 -3.952 3.354 1.00 0.00 H ATOM 1042 HH22 ARG B 173 1.478 -2.212 2.163 1.00 0.00 H ATOM 1043 HH21 ARG B 173 2.008 -2.267 0.442 1.00 0.00 H ATOM 1044 H ARG B 173 9.418 -4.327 -2.074 1.00 0.00 H ATOM 1045 N ILE B 174 10.530 -3.289 1.505 1.00 32.74 N ATOM 1046 CA ILE B 174 11.652 -3.773 2.307 1.00 29.81 C ATOM 1047 C ILE B 174 11.143 -4.093 3.701 1.00 37.36 C ATOM 1048 O ILE B 174 10.521 -3.246 4.354 1.00 41.18 O ATOM 1049 CB ILE B 174 12.762 -2.731 2.443 1.00 35.21 C ATOM 1050 CG1 ILE B 174 13.474 -2.551 1.110 1.00 39.14 C ATOM 1051 CG2 ILE B 174 13.764 -3.148 3.523 1.00 33.65 C ATOM 1052 CD1 ILE B 174 14.317 -1.321 1.033 1.00 37.12 C ATOM 1053 H ILE B 174 10.005 -2.451 1.827 1.00 0.00 H ATOM 1054 N ILE B 175 11.398 -5.317 4.151 1.00 47.20 N ATOM 1055 CA ILE B 175 11.057 -5.724 5.507 1.00 50.33 C ATOM 1056 C ILE B 175 12.302 -5.674 6.381 1.00 49.10 C ATOM 1057 O ILE B 175 13.250 -6.429 6.162 1.00 39.46 O ATOM 1058 CB ILE B 175 10.441 -7.108 5.514 1.00 53.50 C ATOM 1059 CG1 ILE B 175 9.194 -7.086 4.622 1.00 58.66 C ATOM 1060 CG2 ILE B 175 10.101 -7.539 6.930 1.00 56.97 C ATOM 1061 CD1 ILE B 175 8.677 -8.436 4.259 1.00 59.12 C ATOM 1062 H ILE B 175 11.854 -6.004 3.517 1.00 0.00 H ATOM 1063 N ARG B 176 12.270 -4.763 7.357 1.00 46.94 N ATOM 1064 CA ARG B 176 13.428 -4.357 8.145 1.00 50.48 C ATOM 1065 C ARG B 176 12.985 -4.122 9.577 1.00 49.12 C ATOM 1066 O ARG B 176 12.065 -3.338 9.816 1.00 50.29 O ATOM 1067 CB ARG B 176 13.987 -3.045 7.595 1.00 46.67 C ATOM 1068 CG ARG B 176 14.879 -2.299 8.558 1.00 54.05 C ATOM 1069 CD ARG B 176 15.248 -0.946 8.008 1.00 54.89 C ATOM 1070 NE ARG B 176 15.775 -1.048 6.649 1.00 52.42 N ATOM 1071 CZ ARG B 176 16.233 -0.016 5.950 1.00 53.34 C ATOM 1072 NH1 ARG B 176 16.235 1.202 6.480 1.00 49.15 N ATOM 1073 NH2 ARG B 176 16.697 -0.199 4.724 1.00 51.02 N ATOM 1074 HE ARG B 176 15.792 -1.987 6.202 1.00 0.00 H ATOM 1075 HH12 ARG B 176 16.594 2.008 5.930 1.00 0.00 H ATOM 1076 HH11 ARG B 176 15.877 1.350 7.445 1.00 0.00 H ATOM 1077 HH22 ARG B 176 17.055 0.610 4.178 1.00 0.00 H ATOM 1078 HH21 ARG B 176 16.703 -1.152 4.307 1.00 0.00 H ATOM 1079 H ARG B 176 11.357 -4.312 7.570 1.00 0.00 H ATOM 1080 N ASN B 177 13.638 -4.785 10.526 1.00 55.29 N ATOM 1081 CA ASN B 177 13.259 -4.680 11.937 1.00 62.69 C ATOM 1082 C ASN B 177 11.793 -5.096 12.147 1.00 68.46 C ATOM 1083 O ASN B 177 11.024 -4.413 12.841 1.00 61.32 O ATOM 1084 CB ASN B 177 13.519 -3.260 12.472 1.00 59.14 C ATOM 1085 CG ASN B 177 14.954 -2.784 12.236 1.00 60.54 C ATOM 1086 OD1 ASN B 177 15.908 -3.568 12.267 1.00 58.88 O ATOM 1087 ND2 ASN B 177 15.107 -1.485 12.002 1.00 62.38 N ATOM 1088 HD22 ASN B 177 14.277 -0.859 11.984 1.00 0.00 H ATOM 1089 HD21 ASN B 177 16.057 -1.095 11.836 1.00 0.00 H ATOM 1090 H ASN B 177 14.438 -5.394 10.260 1.00 0.00 H ATOM 1091 N ASN B 178 11.419 -6.207 11.511 1.00 80.70 N ATOM 1092 CA ASN B 178 10.085 -6.814 11.624 1.00 81.64 C ATOM 1093 C ASN B 178 8.923 -5.995 11.041 1.00 77.87 C ATOM 1094 O ASN B 178 7.757 -6.360 11.198 1.00 77.06 O ATOM 1095 CB ASN B 178 9.786 -7.228 13.074 1.00 92.94 C ATOM 1096 CG ASN B 178 8.828 -8.407 13.164 1.00 99.39 C ATOM 1097 OD1 ASN B 178 7.609 -8.233 13.181 1.00103.17 O ATOM 1098 ND2 ASN B 178 9.380 -9.614 13.239 1.00 98.83 N ATOM 1099 HD22 ASN B 178 10.415 -9.715 13.221 1.00 0.00 H ATOM 1100 HD21 ASN B 178 8.777 -10.458 13.316 1.00 0.00 H ATOM 1101 H ASN B 178 12.116 -6.674 10.896 1.00 0.00 H ATOM 1102 N GLU B 179 9.234 -4.901 10.355 1.00 66.11 N ATOM 1103 CA GLU B 179 8.186 -4.095 9.738 1.00 62.28 C ATOM 1104 C GLU B 179 8.326 -4.021 8.218 1.00 61.31 C ATOM 1105 O GLU B 179 9.431 -4.125 7.684 1.00 54.13 O ATOM 1106 CB GLU B 179 8.145 -2.697 10.353 1.00 69.40 C ATOM 1107 CG GLU B 179 9.236 -1.762 9.896 1.00 71.08 C ATOM 1108 CD GLU B 179 9.067 -0.376 10.475 1.00 89.88 C ATOM 1109 OE1 GLU B 179 8.899 -0.265 11.708 1.00 99.93 O ATOM 1110 OE2 GLU B 179 9.085 0.603 9.698 1.00 94.90 O ATOM 1111 H GLU B 179 10.230 -4.617 10.257 1.00 0.00 H ATOM 1112 N SER B 180 7.197 -3.852 7.531 1.00 61.80 N ATOM 1113 CA SER B 180 7.175 -3.819 6.066 1.00 65.98 C ATOM 1114 C SER B 180 7.048 -2.391 5.552 1.00 53.60 C ATOM 1115 O SER B 180 6.027 -1.740 5.756 1.00 58.20 O ATOM 1116 CB SER B 180 6.019 -4.663 5.518 1.00 78.22 C ATOM 1117 OG SER B 180 4.782 -3.967 5.603 1.00 90.92 O ATOM 1118 HG SER B 180 4.838 -3.131 5.076 1.00 0.00 H ATOM 1119 H SER B 180 6.303 -3.740 8.051 1.00 0.00 H ATOM 1120 N ILE B 181 8.084 -1.918 4.867 1.00 49.87 N ATOM 1121 CA ILE B 181 8.128 -0.536 4.410 1.00 49.41 C ATOM 1122 C ILE B 181 8.173 -0.352 2.877 1.00 46.15 C ATOM 1123 O ILE B 181 8.689 -1.192 2.136 1.00 39.51 O ATOM 1124 CB ILE B 181 9.292 0.219 5.056 1.00 50.63 C ATOM 1125 CG1 ILE B 181 10.561 0.062 4.238 1.00 41.97 C ATOM 1126 CG2 ILE B 181 9.514 -0.254 6.500 1.00 50.84 C ATOM 1127 CD1 ILE B 181 11.111 1.376 3.743 1.00 47.17 C ATOM 1128 H ILE B 181 8.882 -2.550 4.652 1.00 0.00 H ATOM 1129 N VAL B 182 7.632 0.771 2.422 1.00 52.19 N ATOM 1130 CA VAL B 182 7.614 1.120 1.002 1.00 47.24 C ATOM 1131 C VAL B 182 8.875 1.906 0.662 1.00 38.25 C ATOM 1132 O VAL B 182 9.104 2.975 1.214 1.00 43.80 O ATOM 1133 CB VAL B 182 6.362 1.958 0.674 1.00 57.38 C ATOM 1134 CG1 VAL B 182 6.345 2.342 -0.782 1.00 51.71 C ATOM 1135 CG2 VAL B 182 5.115 1.175 1.008 1.00 57.30 C ATOM 1136 H VAL B 182 7.203 1.430 3.103 1.00 0.00 H ATOM 1137 N PRO B 183 9.703 1.375 -0.251 1.00 29.41 N ATOM 1138 CA PRO B 183 11.041 1.909 -0.540 1.00 41.12 C ATOM 1139 C PRO B 183 11.064 3.116 -1.491 1.00 50.43 C ATOM 1140 O PRO B 183 10.337 3.109 -2.488 1.00 44.38 O ATOM 1141 CB PRO B 183 11.736 0.721 -1.231 1.00 39.20 C ATOM 1142 CG PRO B 183 10.757 -0.472 -1.083 1.00 38.20 C ATOM 1143 CD PRO B 183 9.423 0.171 -1.060 1.00 28.26 C ATOM 1144 N HIS B 184 11.900 4.118 -1.202 1.00 41.33 N ATOM 1145 CA HIS B 184 12.036 5.302 -2.069 1.00 36.30 C ATOM 1146 C HIS B 184 13.491 5.666 -2.360 1.00 40.11 C ATOM 1147 O HIS B 184 14.404 4.929 -1.988 1.00 46.21 O ATOM 1148 CB HIS B 184 11.239 6.489 -1.524 1.00 43.13 C ATOM 1149 CG HIS B 184 9.769 6.220 -1.440 1.00 53.46 C ATOM 1150 ND1 HIS B 184 8.961 6.158 -2.556 1.00 58.86 N ATOM 1151 CD2 HIS B 184 8.969 5.964 -0.379 1.00 57.99 C ATOM 1152 CE1 HIS B 184 7.720 5.892 -2.184 1.00 53.84 C ATOM 1153 NE2 HIS B 184 7.698 5.767 -0.871 1.00 58.00 N ATOM 1154 H HIS B 184 12.474 4.060 -0.336 1.00 0.00 H ATOM 1155 N GLY B 185 13.709 6.786 -3.041 1.00 51.24 N ATOM 1156 CA GLY B 185 15.041 7.129 -3.515 1.00 53.15 C ATOM 1157 C GLY B 185 16.084 7.246 -2.415 1.00 57.29 C ATOM 1158 O GLY B 185 17.250 6.871 -2.592 1.00 54.26 O ATOM 1159 H GLY B 185 12.915 7.428 -3.238 1.00 0.00 H ATOM 1160 N ASP B 186 15.645 7.752 -1.269 1.00 62.09 N ATOM 1161 CA ASP B 186 16.520 7.995 -0.127 1.00 72.76 C ATOM 1162 C ASP B 186 16.808 6.709 0.629 1.00 70.64 C ATOM 1163 O ASP B 186 17.841 6.591 1.287 1.00 76.08 O ATOM 1164 CB ASP B 186 15.851 8.981 0.825 1.00 76.92 C ATOM 1165 CG ASP B 186 14.438 8.567 1.175 1.00 80.93 C ATOM 1166 OD1 ASP B 186 13.740 8.062 0.274 1.00 86.46 O ATOM 1167 OD2 ASP B 186 14.020 8.727 2.341 1.00 80.23 O ATOM 1168 H ASP B 186 14.635 7.985 -1.181 1.00 0.00 H ATOM 1169 N THR B 187 15.877 5.762 0.535 1.00 66.46 N ATOM 1170 CA THR B 187 15.925 4.511 1.290 1.00 60.57 C ATOM 1171 C THR B 187 17.289 3.827 1.189 1.00 58.34 C ATOM 1172 O THR B 187 17.905 3.790 0.121 1.00 59.03 O ATOM 1173 CB THR B 187 14.795 3.567 0.852 1.00 51.41 C ATOM 1174 OG1 THR B 187 13.550 4.248 0.986 1.00 48.72 O ATOM 1175 CG2 THR B 187 14.746 2.324 1.698 1.00 44.02 C ATOM 1176 HG1 THR B 187 13.554 5.056 0.414 1.00 0.00 H ATOM 1177 H THR B 187 15.075 5.920 -0.108 1.00 0.00 H ATOM 1178 N GLN B 188 17.769 3.334 2.326 1.00 60.44 N ATOM 1179 CA GLN B 188 19.061 2.674 2.404 1.00 56.99 C ATOM 1180 C GLN B 188 18.867 1.181 2.481 1.00 55.37 C ATOM 1181 O GLN B 188 17.880 0.712 3.041 1.00 56.58 O ATOM 1182 CB GLN B 188 19.804 3.112 3.664 1.00 59.76 C ATOM 1183 CG GLN B 188 19.801 4.600 3.907 1.00 61.94 C ATOM 1184 CD GLN B 188 21.047 5.052 4.631 1.00 70.09 C ATOM 1185 OE1 GLN B 188 21.391 4.525 5.691 1.00 70.37 O ATOM 1186 NE2 GLN B 188 21.759 6.002 4.038 1.00 65.71 N ATOM 1187 HE22 GLN B 188 21.429 6.418 3.144 1.00 0.00 H ATOM 1188 HE21 GLN B 188 22.647 6.331 4.468 1.00 0.00 H ATOM 1189 H GLN B 188 17.199 3.424 3.191 1.00 0.00 H ATOM 1190 N LEU B 189 19.817 0.432 1.936 1.00 41.37 N ATOM 1191 CA LEU B 189 19.828 -1.000 2.156 1.00 43.18 C ATOM 1192 C LEU B 189 20.561 -1.208 3.462 1.00 49.68 C ATOM 1193 O LEU B 189 21.604 -0.604 3.696 1.00 54.78 O ATOM 1194 CB LEU B 189 20.543 -1.736 1.024 1.00 38.39 C ATOM 1195 CG LEU B 189 19.697 -2.129 -0.191 1.00 44.47 C ATOM 1196 CD1 LEU B 189 18.400 -1.338 -0.262 1.00 41.22 C ATOM 1197 CD2 LEU B 189 20.497 -1.958 -1.463 1.00 44.97 C ATOM 1198 H LEU B 189 20.554 0.873 1.350 1.00 0.00 H ATOM 1199 N ARG B 190 19.986 -2.036 4.322 1.00 49.85 N ATOM 1200 CA ARG B 190 20.588 -2.349 5.606 1.00 49.49 C ATOM 1201 C ARG B 190 20.766 -3.848 5.739 1.00 46.48 C ATOM 1202 O ARG B 190 19.980 -4.617 5.198 1.00 45.28 O ATOM 1203 CB ARG B 190 19.724 -1.793 6.738 1.00 47.11 C ATOM 1204 CG ARG B 190 19.822 -0.274 6.855 1.00 55.05 C ATOM 1205 CD ARG B 190 19.012 0.272 8.014 1.00 69.73 C ATOM 1206 NE ARG B 190 19.349 1.662 8.316 1.00 74.91 N ATOM 1207 CZ ARG B 190 18.502 2.538 8.847 1.00 73.09 C ATOM 1208 NH1 ARG B 190 17.261 2.169 9.130 1.00 69.00 N ATOM 1209 NH2 ARG B 190 18.890 3.783 9.083 1.00 68.11 N ATOM 1210 HE ARG B 190 20.314 1.986 8.102 1.00 0.00 H ATOM 1211 HH12 ARG B 190 16.597 2.853 9.545 1.00 0.00 H ATOM 1212 HH11 ARG B 190 16.951 1.195 8.937 1.00 0.00 H ATOM 1213 HH22 ARG B 190 18.224 4.465 9.499 1.00 0.00 H ATOM 1214 HH21 ARG B 190 19.860 4.078 8.853 1.00 0.00 H ATOM 1215 H ARG B 190 19.077 -2.474 4.070 1.00 0.00 H ATOM 1216 N TYR B 191 21.806 -4.264 6.455 1.00 45.33 N ATOM 1217 CA TYR B 191 22.090 -5.678 6.594 1.00 40.45 C ATOM 1218 C TYR B 191 20.888 -6.413 7.186 1.00 40.99 C ATOM 1219 O TYR B 191 20.293 -5.948 8.155 1.00 39.43 O ATOM 1220 CB TYR B 191 23.357 -5.920 7.440 1.00 34.67 C ATOM 1221 CG TYR B 191 23.830 -7.331 7.272 1.00 40.45 C ATOM 1222 CD1 TYR B 191 23.389 -8.327 8.123 1.00 41.75 C ATOM 1223 CD2 TYR B 191 24.651 -7.692 6.212 1.00 38.26 C ATOM 1224 CE1 TYR B 191 23.776 -9.626 7.956 1.00 37.81 C ATOM 1225 CE2 TYR B 191 25.049 -8.996 6.042 1.00 32.75 C ATOM 1226 CZ TYR B 191 24.605 -9.963 6.921 1.00 35.25 C ATOM 1227 OH TYR B 191 24.976 -11.272 6.783 1.00 36.55 O ATOM 1228 HH TYR B 191 24.560 -11.809 7.503 1.00 0.00 H ATOM 1229 H TYR B 191 22.422 -3.567 6.920 1.00 0.00 H ATOM 1230 N GLY B 192 20.509 -7.539 6.583 1.00 31.78 N ATOM 1231 CA GLY B 192 19.374 -8.305 7.068 1.00 38.58 C ATOM 1232 C GLY B 192 18.039 -7.925 6.438 1.00 37.58 C ATOM 1233 O GLY B 192 17.038 -8.620 6.630 1.00 40.12 O ATOM 1234 H GLY B 192 21.035 -7.875 5.751 1.00 0.00 H ATOM 1235 N ASP B 193 18.025 -6.832 5.680 1.00 33.45 N ATOM 1236 CA ASP B 193 16.829 -6.419 4.949 1.00 25.51 C ATOM 1237 C ASP B 193 16.292 -7.552 4.067 1.00 36.89 C ATOM 1238 O ASP B 193 17.053 -8.272 3.422 1.00 40.32 O ATOM 1239 CB ASP B 193 17.123 -5.198 4.061 1.00 37.68 C ATOM 1240 CG ASP B 193 16.985 -3.872 4.797 1.00 48.30 C ATOM 1241 OD1 ASP B 193 16.761 -3.879 6.026 1.00 47.60 O ATOM 1242 OD2 ASP B 193 17.114 -2.817 4.136 1.00 46.52 O ATOM 1243 H ASP B 193 18.888 -6.256 5.606 1.00 0.00 H ATOM 1244 N ARG B 194 14.971 -7.702 4.053 1.00 37.49 N ATOM 1245 CA ARG B 194 14.311 -8.593 3.112 1.00 31.37 C ATOM 1246 C ARG B 194 13.724 -7.712 2.020 1.00 28.56 C ATOM 1247 O ARG B 194 12.754 -6.980 2.245 1.00 35.60 O ATOM 1248 CB ARG B 194 13.231 -9.401 3.803 1.00 36.41 C ATOM 1249 CG ARG B 194 13.793 -10.231 4.966 1.00 41.14 C ATOM 1250 CD ARG B 194 12.689 -10.833 5.800 1.00 46.70 C ATOM 1251 NE ARG B 194 11.860 -11.756 5.029 1.00 54.88 N ATOM 1252 CZ ARG B 194 10.545 -11.881 5.179 1.00 56.68 C ATOM 1253 NH1 ARG B 194 9.901 -11.137 6.070 1.00 53.94 N ATOM 1254 NH2 ARG B 194 9.874 -12.752 4.439 1.00 50.10 N ATOM 1255 HE ARG B 194 12.328 -12.353 4.318 1.00 0.00 H ATOM 1256 HH12 ARG B 194 8.872 -11.237 6.185 1.00 0.00 H ATOM 1257 HH11 ARG B 194 10.425 -10.454 6.653 1.00 0.00 H ATOM 1258 HH22 ARG B 194 8.845 -12.850 4.556 1.00 0.00 H ATOM 1259 HH21 ARG B 194 10.376 -13.337 3.741 1.00 0.00 H ATOM 1260 H ARG B 194 14.394 -7.168 4.733 1.00 0.00 H ATOM 1261 N LEU B 195 14.369 -7.755 0.862 1.00 31.52 N ATOM 1262 CA LEU B 195 14.019 -6.893 -0.260 1.00 23.47 C ATOM 1263 C LEU B 195 13.045 -7.642 -1.147 1.00 29.30 C ATOM 1264 O LEU B 195 13.347 -8.747 -1.585 1.00 28.46 O ATOM 1265 CB LEU B 195 15.284 -6.555 -1.053 1.00 33.26 C ATOM 1266 CG LEU B 195 16.484 -6.173 -0.180 1.00 38.33 C ATOM 1267 CD1 LEU B 195 17.703 -5.972 -1.033 1.00 46.93 C ATOM 1268 CD2 LEU B 195 16.188 -4.909 0.579 1.00 32.51 C ATOM 1269 H LEU B 195 15.153 -8.429 0.750 1.00 0.00 H ATOM 1270 N ILE B 196 11.877 -7.050 -1.375 1.00 26.58 N ATOM 1271 CA ILE B 196 10.860 -7.648 -2.233 1.00 22.96 C ATOM 1272 C ILE B 196 10.852 -6.851 -3.539 1.00 27.25 C ATOM 1273 O ILE B 196 10.615 -5.644 -3.550 1.00 27.47 O ATOM 1274 CB ILE B 196 9.478 -7.631 -1.564 1.00 27.91 C ATOM 1275 CG1 ILE B 196 9.564 -8.185 -0.123 1.00 30.68 C ATOM 1276 CG2 ILE B 196 8.473 -8.428 -2.373 1.00 33.90 C ATOM 1277 CD1 ILE B 196 10.148 -9.558 0.005 1.00 31.80 C ATOM 1278 H ILE B 196 11.682 -6.132 -0.928 1.00 0.00 H ATOM 1279 N VAL B 197 11.156 -7.528 -4.639 1.00 25.75 N ATOM 1280 CA VAL B 197 11.460 -6.819 -5.869 1.00 22.94 C ATOM 1281 C VAL B 197 10.612 -7.397 -6.984 1.00 25.98 C ATOM 1282 O VAL B 197 10.138 -8.525 -6.885 1.00 25.08 O ATOM 1283 CB VAL B 197 12.963 -6.931 -6.248 1.00 30.94 C ATOM 1284 CG1 VAL B 197 13.850 -6.516 -5.085 1.00 36.78 C ATOM 1285 CG2 VAL B 197 13.316 -8.345 -6.721 1.00 25.51 C ATOM 1286 H VAL B 197 11.177 -8.568 -4.620 1.00 0.00 H ATOM 1287 N THR B 198 10.424 -6.624 -8.047 1.00 22.05 N ATOM 1288 CA THR B 198 9.706 -7.114 -9.214 1.00 20.74 C ATOM 1289 C THR B 198 10.476 -6.636 -10.451 1.00 27.52 C ATOM 1290 O THR B 198 11.102 -5.597 -10.413 1.00 24.54 O ATOM 1291 CB THR B 198 8.244 -6.609 -9.261 1.00 27.36 C ATOM 1292 OG1 THR B 198 7.544 -7.252 -10.335 1.00 27.35 O ATOM 1293 CG2 THR B 198 8.178 -5.109 -9.471 1.00 27.38 C ATOM 1294 HG1 THR B 198 7.549 -8.231 -10.191 1.00 0.00 H ATOM 1295 H THR B 198 10.796 -5.653 -8.046 1.00 0.00 H ATOM 1296 N GLY B 199 10.459 -7.409 -11.524 1.00 24.20 N ATOM 1297 CA GLY B 199 11.074 -6.927 -12.751 1.00 23.75 C ATOM 1298 C GLY B 199 11.593 -8.049 -13.633 1.00 30.42 C ATOM 1299 O GLY B 199 11.169 -9.193 -13.515 1.00 28.41 O ATOM 1300 H GLY B 199 10.012 -8.348 -11.491 1.00 0.00 H ATOM 1301 N ALA B 200 12.518 -7.702 -14.521 1.00 32.09 N ATOM 1302 CA ALA B 200 13.164 -8.674 -15.409 1.00 33.33 C ATOM 1303 C ALA B 200 13.850 -9.757 -14.579 1.00 39.63 C ATOM 1304 O ALA B 200 14.740 -9.458 -13.781 1.00 30.63 O ATOM 1305 CB ALA B 200 14.155 -7.979 -16.274 1.00 39.34 C ATOM 1306 H ALA B 200 12.795 -6.702 -14.589 1.00 0.00 H ATOM 1307 N LYS B 201 13.446 -11.011 -14.784 1.00 38.80 N ATOM 1308 CA LYS B 201 13.916 -12.121 -13.956 1.00 39.05 C ATOM 1309 C LYS B 201 15.421 -12.307 -14.064 1.00 45.33 C ATOM 1310 O LYS B 201 16.076 -12.743 -13.107 1.00 45.55 O ATOM 1311 CB LYS B 201 13.182 -13.414 -14.317 1.00 49.84 C ATOM 1312 CG LYS B 201 13.592 -14.642 -13.499 1.00 47.74 C ATOM 1313 CD LYS B 201 13.380 -14.447 -12.002 1.00 41.15 C ATOM 1314 CE LYS B 201 13.390 -15.788 -11.291 1.00 44.31 C ATOM 1315 NZ LYS B 201 14.532 -16.646 -11.712 1.00 47.04 N ATOM 1316 HZ1 LYS B 201 14.471 -16.825 -12.735 1.00 0.00 H ATOM 1317 HZ2 LYS B 201 15.426 -16.161 -11.496 1.00 0.00 H ATOM 1318 HZ3 LYS B 201 14.493 -17.549 -11.198 1.00 0.00 H ATOM 1319 H LYS B 201 12.777 -11.206 -15.556 1.00 0.00 H ATOM 1320 N GLU B 202 15.966 -11.958 -15.225 1.00 43.80 N ATOM 1321 CA GLU B 202 17.401 -12.030 -15.449 1.00 49.70 C ATOM 1322 C GLU B 202 18.163 -11.080 -14.543 1.00 52.17 C ATOM 1323 O GLU B 202 19.253 -11.413 -14.076 1.00 48.12 O ATOM 1324 CB GLU B 202 17.744 -11.747 -16.916 1.00 65.40 C ATOM 1325 CG GLU B 202 17.053 -10.521 -17.511 1.00 83.21 C ATOM 1326 CD GLU B 202 15.709 -10.847 -18.148 1.00 90.43 C ATOM 1327 OE1 GLU B 202 15.305 -10.132 -19.088 1.00 94.47 O ATOM 1328 OE2 GLU B 202 15.056 -11.817 -17.710 1.00 91.02 O ATOM 1329 H GLU B 202 15.350 -11.625 -15.994 1.00 0.00 H ATOM 1330 N TYR B 203 17.603 -9.895 -14.300 1.00 42.93 N ATOM 1331 CA TYR B 203 18.248 -8.942 -13.404 1.00 39.51 C ATOM 1332 C TYR B 203 17.958 -9.218 -11.925 1.00 35.58 C ATOM 1333 O TYR B 203 18.797 -8.930 -11.067 1.00 36.19 O ATOM 1334 CB TYR B 203 17.873 -7.501 -13.713 1.00 38.52 C ATOM 1335 CG TYR B 203 18.623 -6.562 -12.801 1.00 50.24 C ATOM 1336 CD1 TYR B 203 20.015 -6.617 -12.717 1.00 56.80 C ATOM 1337 CD2 TYR B 203 17.957 -5.651 -11.996 1.00 57.16 C ATOM 1338 CE1 TYR B 203 20.718 -5.781 -11.866 1.00 55.93 C ATOM 1339 CE2 TYR B 203 18.660 -4.806 -11.145 1.00 60.18 C ATOM 1340 CZ TYR B 203 20.037 -4.877 -11.086 1.00 56.08 C ATOM 1341 OH TYR B 203 20.738 -4.036 -10.245 1.00 56.34 O ATOM 1342 HH TYR B 203 21.707 -4.221 -10.328 1.00 0.00 H ATOM 1343 H TYR B 203 16.700 -9.648 -14.753 1.00 0.00 H ATOM 1344 N VAL B 204 16.765 -9.731 -11.636 1.00 31.85 N ATOM 1345 CA VAL B 204 16.467 -10.211 -10.298 1.00 27.10 C ATOM 1346 C VAL B 204 17.578 -11.174 -9.930 1.00 28.46 C ATOM 1347 O VAL B 204 18.186 -11.063 -8.862 1.00 33.72 O ATOM 1348 CB VAL B 204 15.102 -10.901 -10.239 1.00 23.39 C ATOM 1349 CG1 VAL B 204 14.894 -11.630 -8.893 1.00 26.70 C ATOM 1350 CG2 VAL B 204 14.003 -9.888 -10.496 1.00 29.33 C ATOM 1351 H VAL B 204 16.037 -9.789 -12.377 1.00 0.00 H ATOM 1352 N ASP B 205 17.888 -12.086 -10.847 1.00 33.11 N ATOM 1353 CA ASP B 205 18.904 -13.095 -10.604 1.00 41.87 C ATOM 1354 C ASP B 205 20.296 -12.530 -10.362 1.00 40.22 C ATOM 1355 O ASP B 205 21.053 -13.069 -9.560 1.00 39.81 O ATOM 1356 CB ASP B 205 18.925 -14.131 -11.735 1.00 48.60 C ATOM 1357 CG ASP B 205 17.736 -15.070 -11.689 1.00 51.86 C ATOM 1358 OD1 ASP B 205 17.039 -15.104 -10.657 1.00 59.13 O ATOM 1359 OD2 ASP B 205 17.503 -15.784 -12.688 1.00 57.03 O ATOM 1360 H ASP B 205 17.391 -12.076 -11.760 1.00 0.00 H ATOM 1361 N GLU B 206 20.637 -11.451 -11.053 1.00 44.36 N ATOM 1362 CA GLU B 206 21.929 -10.815 -10.847 1.00 45.85 C ATOM 1363 C GLU B 206 21.962 -10.115 -9.498 1.00 45.69 C ATOM 1364 O GLU B 206 22.974 -10.135 -8.803 1.00 42.57 O ATOM 1365 CB GLU B 206 22.224 -9.791 -11.946 1.00 52.59 C ATOM 1366 CG GLU B 206 22.721 -10.393 -13.243 1.00 71.04 C ATOM 1367 CD GLU B 206 23.114 -9.331 -14.256 1.00 85.14 C ATOM 1368 OE1 GLU B 206 23.704 -8.305 -13.850 1.00 88.91 O ATOM 1369 OE2 GLU B 206 22.826 -9.519 -15.457 1.00 88.24 O ATOM 1370 H GLU B 206 19.974 -11.055 -11.750 1.00 0.00 H ATOM 1371 N LEU B 207 20.854 -9.476 -9.145 1.00 36.21 N ATOM 1372 CA LEU B 207 20.718 -8.827 -7.847 1.00 38.98 C ATOM 1373 C LEU B 207 20.889 -9.833 -6.701 1.00 31.97 C ATOM 1374 O LEU B 207 21.522 -9.546 -5.676 1.00 34.13 O ATOM 1375 CB LEU B 207 19.362 -8.137 -7.767 1.00 37.60 C ATOM 1376 CG LEU B 207 19.292 -7.008 -6.750 1.00 48.12 C ATOM 1377 CD1 LEU B 207 20.545 -6.168 -6.850 1.00 47.48 C ATOM 1378 CD2 LEU B 207 18.058 -6.156 -6.988 1.00 54.88 C ATOM 1379 H LEU B 207 20.059 -9.437 -9.814 1.00 0.00 H ATOM 1380 N LYS B 208 20.323 -11.012 -6.880 1.00 28.08 N ATOM 1381 CA LYS B 208 20.456 -12.079 -5.896 1.00 32.52 C ATOM 1382 C LYS B 208 21.911 -12.514 -5.727 1.00 44.56 C ATOM 1383 O LYS B 208 22.345 -12.818 -4.614 1.00 34.71 O ATOM 1384 CB LYS B 208 19.576 -13.262 -6.283 1.00 34.85 C ATOM 1385 CG LYS B 208 18.112 -12.992 -6.050 1.00 32.86 C ATOM 1386 CD LYS B 208 17.188 -14.095 -6.578 1.00 43.75 C ATOM 1387 CE LYS B 208 17.215 -15.342 -5.695 1.00 43.89 C ATOM 1388 NZ LYS B 208 15.872 -15.980 -5.620 1.00 53.81 N ATOM 1389 HZ1 LYS B 208 15.190 -15.304 -5.219 1.00 0.00 H ATOM 1390 HZ2 LYS B 208 15.567 -16.256 -6.575 1.00 0.00 H ATOM 1391 HZ3 LYS B 208 15.924 -16.823 -5.014 1.00 0.00 H ATOM 1392 H LYS B 208 19.769 -11.184 -7.743 1.00 0.00 H ATOM 1393 N GLN B 209 22.657 -12.533 -6.831 1.00 43.26 N ATOM 1394 CA GLN B 209 24.097 -12.780 -6.789 1.00 48.45 C ATOM 1395 C GLN B 209 24.788 -11.741 -5.923 1.00 48.53 C ATOM 1396 O GLN B 209 25.529 -12.080 -5.002 1.00 48.67 O ATOM 1397 CB GLN B 209 24.698 -12.733 -8.197 1.00 53.15 C ATOM 1398 CG GLN B 209 24.257 -13.870 -9.102 1.00 63.63 C ATOM 1399 CD GLN B 209 24.913 -13.826 -10.474 1.00 65.86 C ATOM 1400 OE1 GLN B 209 25.724 -12.943 -10.768 1.00 70.65 O ATOM 1401 NE2 GLN B 209 24.564 -14.785 -11.321 1.00 56.90 N ATOM 1402 HE22 GLN B 209 23.876 -15.510 -11.031 1.00 0.00 H ATOM 1403 HE21 GLN B 209 24.978 -14.812 -12.275 1.00 0.00 H ATOM 1404 H GLN B 209 22.201 -12.367 -7.751 1.00 0.00 H ATOM 1405 N GLU B 210 24.525 -10.474 -6.225 1.00 33.90 N ATOM 1406 CA GLU B 210 25.186 -9.356 -5.578 1.00 47.53 C ATOM 1407 C GLU B 210 24.861 -9.229 -4.095 1.00 44.22 C ATOM 1408 O GLU B 210 25.750 -9.004 -3.279 1.00 40.43 O ATOM 1409 CB GLU B 210 24.804 -8.055 -6.286 1.00 50.78 C ATOM 1410 CG GLU B 210 25.509 -7.872 -7.602 1.00 56.59 C ATOM 1411 CD GLU B 210 27.011 -7.856 -7.427 1.00 61.73 C ATOM 1412 OE1 GLU B 210 27.674 -8.833 -7.836 1.00 63.95 O ATOM 1413 OE2 GLU B 210 27.526 -6.869 -6.859 1.00 60.91 O ATOM 1414 H GLU B 210 23.814 -10.275 -6.957 1.00 0.00 H ATOM 1415 N LEU B 211 23.585 -9.382 -3.758 1.00 32.29 N ATOM 1416 CA LEU B 211 23.112 -9.059 -2.423 1.00 35.71 C ATOM 1417 C LEU B 211 23.097 -10.254 -1.454 1.00 30.90 C ATOM 1418 O LEU B 211 23.369 -10.079 -0.276 1.00 30.37 O ATOM 1419 CB LEU B 211 21.732 -8.420 -2.506 1.00 34.15 C ATOM 1420 CG LEU B 211 21.676 -7.106 -3.288 1.00 34.07 C ATOM 1421 CD1 LEU B 211 20.265 -6.589 -3.305 1.00 33.59 C ATOM 1422 CD2 LEU B 211 22.607 -6.084 -2.643 1.00 40.34 C ATOM 1423 H LEU B 211 22.911 -9.740 -4.464 1.00 0.00 H ATOM 1424 N GLU B 212 22.779 -11.452 -1.943 1.00 26.60 N ATOM 1425 CA GLU B 212 22.706 -12.615 -1.062 1.00 28.66 C ATOM 1426 C GLU B 212 23.627 -13.792 -1.404 1.00 26.10 C ATOM 1427 O GLU B 212 23.478 -14.857 -0.829 1.00 37.42 O ATOM 1428 CB GLU B 212 21.248 -13.098 -0.857 1.00 31.27 C ATOM 1429 CG GLU B 212 20.587 -13.663 -2.103 1.00 31.08 C ATOM 1430 CD GLU B 212 19.097 -14.004 -1.947 1.00 36.74 C ATOM 1431 OE1 GLU B 212 18.598 -14.783 -2.780 1.00 36.93 O ATOM 1432 OE2 GLU B 212 18.418 -13.506 -1.025 1.00 34.93 O ATOM 1433 H GLU B 212 22.582 -11.560 -2.958 1.00 0.00 H ATOM 1434 N PHE B 213 24.606 -13.621 -2.281 1.00 37.11 N ATOM 1435 CA PHE B 213 25.576 -14.712 -2.415 1.00 50.77 C ATOM 1436 C PHE B 213 26.900 -14.457 -1.669 1.00 47.97 C ATOM 1437 O PHE B 213 27.050 -13.473 -0.920 1.00 47.39 O ATOM 1438 CB PHE B 213 25.806 -15.111 -3.880 1.00 58.51 C ATOM 1439 CG PHE B 213 24.616 -15.783 -4.531 1.00 62.47 C ATOM 1440 CD1 PHE B 213 23.470 -16.053 -3.809 1.00 61.39 C ATOM 1441 CD2 PHE B 213 24.657 -16.155 -5.869 1.00 65.90 C ATOM 1442 CE1 PHE B 213 22.383 -16.665 -4.405 1.00 62.85 C ATOM 1443 CE2 PHE B 213 23.575 -16.767 -6.466 1.00 58.89 C ATOM 1444 CZ PHE B 213 22.437 -17.019 -5.734 1.00 63.75 C ATOM 1445 H PHE B 213 24.683 -12.753 -2.848 1.00 0.00 H TER 1446 PHE B 213 HETATM 1447 O HOH 1 5.202 14.349 -19.618 1.00 47.10 O HETATM 1448 O HOH 2 5.654 14.424 -22.569 1.00 53.69 O HETATM 1449 O HOH 3 -5.458 -6.448 -18.624 1.00 58.39 O HETATM 1450 O HOH 4 -3.316 3.387 -20.932 1.00 40.57 O HETATM 1451 O HOH 5 -3.707 9.460 -21.756 1.00 42.95 O HETATM 1452 O HOH 6 -5.388 -6.655 -9.687 1.00 73.92 O HETATM 1453 O HOH 7 -5.334 -3.854 3.549 1.00 53.49 O HETATM 1454 O HOH 8 3.967 6.860 -22.897 1.00 54.77 O HETATM 1455 O HOH 9 12.301 3.952 -10.461 1.00 38.75 O HETATM 1456 O HOH 10 1.666 1.832 -24.814 1.00 51.86 O HETATM 1457 O HOH 11 -5.541 -6.046 2.892 1.00 74.32 O HETATM 1458 O HOH 12 -10.861 11.934 -17.242 1.00 50.89 O HETATM 1459 O HOH 13 -9.172 11.902 -21.752 1.00 47.02 O HETATM 1460 O HOH 14 5.310 15.380 -15.368 1.00 46.53 O HETATM 1461 O HOH 15 -7.354 -4.049 -6.047 1.00 46.14 O HETATM 1462 O HOH 16 -5.916 5.313 -23.745 1.00102.17 O HETATM 1463 O HOH 17 -9.789 -0.527 -9.445 1.00 52.46 O HETATM 1464 O HOH 18 5.472 6.197 -20.067 1.00 41.39 O HETATM 1465 O HOH 19 -13.250 10.387 -9.204 1.00 65.75 O HETATM 1466 O HOH 20 -0.597 2.810 7.712 1.00 69.48 O HETATM 1467 O HOH 21 15.261 4.610 -13.539 1.00 49.36 O HETATM 1468 O HOH 22 -2.952 -7.124 -8.094 1.00 62.38 O HETATM 1469 O HOH 23 -10.390 -4.836 -11.278 1.00 65.20 O HETATM 1470 O HOH 24 14.910 3.076 -16.421 1.00 69.30 O HETATM 1471 O HOH 25 9.394 7.363 3.096 1.00 69.67 O HETATM 1472 O HOH 26 -12.885 12.046 -11.316 1.00 66.55 O HETATM 1473 O HOH 27 17.739 6.161 -14.470 1.00 69.46 O HETATM 1474 O HOH 28 -6.814 -3.223 5.245 1.00 66.08 O HETATM 1475 O HOH 29 8.902 14.132 -4.142 1.00 69.17 O HETATM 1476 O HOH 30 13.996 -14.836 -4.539 1.00 40.58 O HETATM 1477 O HOH 31 30.987 -8.129 0.253 1.00 37.62 O HETATM 1478 O HOH 32 11.705 7.902 1.916 1.00 53.98 O HETATM 1479 O HOH 33 7.589 -14.232 -3.979 1.00 37.21 O HETATM 1480 O HOH 34 10.079 6.066 -4.932 1.00 43.71 O HETATM 1481 O HOH 35 10.292 -15.568 3.140 1.00 58.64 O HETATM 1482 O HOH 36 29.890 -7.777 -5.942 1.00 61.51 O HETATM 1483 O HOH 37 9.110 -2.318 -18.100 1.00 34.41 O HETATM 1484 O HOH 38 9.130 -9.825 -11.519 1.00 41.03 O HETATM 1485 O HOH 39 17.645 -5.139 8.439 1.00 42.81 O HETATM 1486 O HOH 40 24.759 -6.812 11.235 1.00 62.34 O HETATM 1487 O HOH 41 10.376 -14.841 -3.036 1.00 37.31 O HETATM 1488 O HOH 42 25.873 -3.009 10.375 1.00 49.49 O HETATM 1489 O HOH 43 2.478 -13.204 -11.733 1.00 59.28 O HETATM 1490 O HOH 44 1.553 -7.400 -13.854 1.00 66.23 O HETATM 1491 O HOH 45 21.010 -0.006 -16.589 1.00 68.26 O HETATM 1492 O HOH 46 13.755 -17.497 -7.435 1.00 65.30 O HETATM 1493 O HOH 47 6.776 -7.747 8.329 1.00 70.28 O HETATM 1494 O HOH 48 11.295 -10.070 9.229 1.00 50.27 O HETATM 1495 O HOH 49 24.782 11.680 -5.891 1.00 75.57 O HETATM 1496 O HOH 50 11.459 -15.345 6.884 1.00 54.66 O HETATM 1497 O HOH 51 16.806 -0.836 -17.741 1.00 63.49 O HETATM 1498 O HOH 52 11.610 -16.116 -4.438 1.00 53.12 O HETATM 1499 O HOH 53 30.519 -0.975 10.034 1.00 77.41 O HETATM 1500 O HOH 54 11.960 0.760 14.492 1.00 56.72 O HETATM 1501 O HOH 55 18.873 -12.379 7.554 1.00 76.41 O HETATM 1502 O HOH 56 24.405 9.113 -9.660 1.00 94.43 O HETATM 1503 O HOH 57 11.546 -17.858 -6.445 1.00 48.22 O HETATM 1504 P UNN A 58 12.975 8.973 -5.583 1.00 0.26 P HETATM 1505 O1P UNN A 58 11.961 8.342 -4.664 1.00 -0.62 O HETATM 1506 O2P UNN A 58 13.863 9.869 -4.753 1.00 -0.62 O HETATM 1507 O5' UNN A 58 14.148 8.003 -6.116 1.00 -0.25 O HETATM 1508 C5' UNN A 58 15.073 8.032 -6.569 1.00 0.11 C HETATM 1509 C4' UNN A 58 15.434 7.139 -7.706 1.00 0.09 C HETATM 1510 O4' UNN A 58 15.699 6.122 -6.741 1.00 -0.34 O HETATM 1511 C1' UNN A 58 15.571 4.823 -7.324 1.00 0.20 C HETATM 1512 C2' UNN A 58 15.407 5.010 -8.820 1.00 0.11 C HETATM 1513 C3' UNN A 58 14.970 6.450 -8.984 1.00 0.01 C HETATM 1514 H4 UNN A 58 15.448 6.903 -9.865 1.00 0.03 H HETATM 1515 H5 UNN A 58 13.877 6.515 -9.086 1.00 0.03 H HETATM 1516 O2' UNN A 58 16.671 4.788 -9.450 1.00 -0.39 O HETATM 1517 H7 UNN A 58 16.926 3.880 -9.335 1.00 0.21 H HETATM 1518 H6 UNN A 58 14.653 4.322 -9.230 1.00 0.07 H HETATM 1519 N9 UNN A 58 14.143 4.241 -6.440 1.00 -0.19 N HETATM 1520 C8 UNN A 58 13.148 4.788 -5.718 1.00 0.11 C HETATM 1521 N7 UNN A 58 12.261 3.831 -5.367 1.00 -0.30 N HETATM 1522 C5 UNN A 58 12.720 2.675 -5.877 1.00 0.10 C HETATM 1523 C6 UNN A 58 12.242 1.379 -5.842 1.00 0.13 C HETATM 1524 N6 UNN A 58 11.086 1.124 -5.186 1.00 -0.32 N HETATM 1525 H10 UNN A 58 10.715 0.164 -5.150 1.00 0.18 H HETATM 1526 H11 UNN A 58 10.577 1.890 -4.723 1.00 0.18 H HETATM 1527 N1 UNN A 58 12.939 0.397 -6.466 1.00 -0.27 N HETATM 1528 C2 UNN A 58 14.086 0.670 -7.115 1.00 0.05 C HETATM 1529 N3 UNN A 58 14.575 1.917 -7.163 1.00 -0.27 N HETATM 1530 C4 UNN A 58 13.907 2.930 -6.551 1.00 0.16 C HETATM 1531 H12 UNN A 58 14.623 -0.132 -7.607 1.00 0.10 H HETATM 1532 H9 UNN A 58 13.069 5.842 -5.456 1.00 0.13 H HETATM 1533 H8 UNN A 58 16.442 4.180 -7.129 1.00 0.10 H HETATM 1534 H3 UNN A 58 16.366 7.592 -8.076 1.00 0.06 H HETATM 1535 H1 UNN A 58 15.808 7.830 -5.776 1.00 0.06 H HETATM 1536 H2 UNN A 58 15.202 9.061 -6.936 1.00 0.06 H HETATM 1537 O3'1 UNN A 58 12.492 9.829 -6.861 1.00 -0.25 O HETATM 1538 C3'1 UNN A 58 11.477 9.458 -7.843 1.00 0.15 C HETATM 1539 C4'1 UNN A 58 11.432 10.275 -8.996 1.00 0.12 C HETATM 1540 C5'1 UNN A 58 12.680 9.891 -10.155 1.00 0.11 C HETATM 1541 O5'1 UNN A 58 12.491 8.571 -10.660 1.00 -0.27 O HETATM 1542 P1 UNN A 58 13.710 7.800 -11.367 1.00 0.20 P HETATM 1543 O3' UNN A 58 14.889 7.644 -10.283 1.00 -0.55 O HETATM 1544 O1P1 UNN A 58 13.288 6.352 -11.444 1.00 -0.55 O HETATM 1545 O2P1 UNN A 58 14.045 8.290 -12.758 1.00 -0.55 O HETATM 1546 H13 UNN A 58 12.636 10.609 -10.988 1.00 0.06 H HETATM 1547 H14 UNN A 58 13.663 9.956 -9.666 1.00 0.06 H HETATM 1548 O4'1 UNN A 58 10.496 9.551 -10.017 1.00 -0.34 O HETATM 1549 C1'1 UNN A 58 9.490 9.026 -9.148 1.00 0.20 C HETATM 1550 C2'1 UNN A 58 10.024 9.163 -7.657 1.00 0.14 C HETATM 1551 O2'1 UNN A 58 9.274 9.868 -6.665 1.00 -0.38 O HETATM 1552 H18 UNN A 58 8.374 9.565 -6.676 1.00 0.21 H HETATM 1553 H17 UNN A 58 9.996 8.137 -7.260 1.00 0.07 H HETATM 1554 N91 UNN A 58 9.295 7.571 -9.372 1.00 -0.19 N HETATM 1555 C81 UNN A 58 10.033 6.784 -10.171 1.00 0.11 C HETATM 1556 N71 UNN A 58 9.559 5.520 -10.104 1.00 -0.30 N HETATM 1557 C51 UNN A 58 8.517 5.522 -9.251 1.00 0.10 C HETATM 1558 C61 UNN A 58 7.655 4.533 -8.802 1.00 0.13 C HETATM 1559 N61 UNN A 58 7.798 3.264 -9.242 1.00 -0.32 N HETATM 1560 H21 UNN A 58 7.158 2.528 -8.909 1.00 0.18 H HETATM 1561 H22 UNN A 58 8.547 3.032 -9.910 1.00 0.18 H HETATM 1562 N11 UNN A 58 6.677 4.866 -7.921 1.00 -0.27 N HETATM 1563 C21 UNN A 58 6.534 6.130 -7.483 1.00 0.05 C HETATM 1564 N31 UNN A 58 7.351 7.105 -7.901 1.00 -0.27 N HETATM 1565 C41 UNN A 58 8.349 6.820 -8.788 1.00 0.16 C HETATM 1566 H23 UNN A 58 5.743 6.363 -6.779 1.00 0.10 H HETATM 1567 H20 UNN A 58 10.877 7.111 -10.776 1.00 0.13 H HETATM 1568 H19 UNN A 58 8.544 9.570 -9.287 1.00 0.10 H HETATM 1569 H15 UNN A 58 11.258 11.337 -8.769 1.00 0.07 H HETATM 1570 H16 UNN A 58 11.878 8.490 -8.178 1.00 0.07 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 74 64 75 82 CONECT 75 74 76 78 CONECT 76 75 77 83 CONECT 77 76 CONECT 78 75 79 CONECT 79 78 80 CONECT 80 79 81 CONECT 81 80 CONECT 82 74 CONECT 718 719 726 727 728 CONECT 726 718 CONECT 727 718 CONECT 728 718 CONECT 791 781 792 799 CONECT 792 791 793 795 CONECT 793 792 794 800 CONECT 794 793 CONECT 795 792 796 CONECT 796 795 797 CONECT 797 796 798 CONECT 798 797 CONECT 799 791 CONECT 1504 1505 1506 1507 1537 CONECT 1505 1504 CONECT 1506 1504 CONECT 1507 1504 1508 CONECT 1508 1507 1509 1535 1536 CONECT 1509 1508 1510 1513 1534 CONECT 1510 1509 1511 CONECT 1511 1510 1512 1519 1533 CONECT 1512 1511 1513 1516 1518 CONECT 1513 1509 1512 1514 1515 CONECT 1514 1513 CONECT 1515 1513 CONECT 1516 1512 1517 CONECT 1517 1516 CONECT 1518 1512 CONECT 1519 1511 1520 1530 CONECT 1520 1519 1521 1532 CONECT 1521 1520 1522 CONECT 1522 1521 1523 1530 CONECT 1523 1522 1524 1527 CONECT 1524 1523 1525 1526 CONECT 1525 1524 CONECT 1526 1524 CONECT 1527 1523 1528 CONECT 1528 1527 1529 1531 CONECT 1529 1528 1530 CONECT 1530 1519 1522 1529 CONECT 1531 1528 CONECT 1532 1520 CONECT 1533 1511 CONECT 1534 1509 CONECT 1535 1508 CONECT 1536 1508 CONECT 1537 1504 1538 CONECT 1538 1537 1539 1550 1570 CONECT 1539 1538 1540 1548 1569 CONECT 1540 1539 1541 1546 1547 CONECT 1541 1540 1542 CONECT 1542 1541 1543 1544 1545 CONECT 1543 1542 CONECT 1544 1542 CONECT 1545 1542 CONECT 1546 1540 CONECT 1547 1540 CONECT 1548 1539 1549 CONECT 1549 1548 1550 1554 1568 CONECT 1550 1538 1549 1551 1553 CONECT 1551 1550 1552 CONECT 1552 1551 CONECT 1553 1550 CONECT 1554 1549 1555 1565 CONECT 1555 1554 1556 1567 CONECT 1556 1555 1557 CONECT 1557 1556 1558 1565 CONECT 1558 1557 1559 1562 CONECT 1559 1558 1560 1561 CONECT 1560 1559 CONECT 1561 1559 CONECT 1562 1558 1563 CONECT 1563 1562 1564 1566 CONECT 1564 1563 1565 CONECT 1565 1554 1557 1564 CONECT 1566 1563 CONECT 1567 1555 CONECT 1568 1549 CONECT 1569 1539 CONECT 1570 1538 MASTER 0 0 0 0 0 0 0 0 1568 2 93 12 END
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Structure:
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Related entries of code: 5f29
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
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Complexes with the same small molecule ligand
PDB Code
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Ligand Name
4d3h
RCSB PDB
PDBbind
2BA
4qsh
RCSB PDB
PDBbind
2BA
4qsk
RCSB PDB
PDBbind
2BA
4rww
RCSB PDB
PDBbind
2BA
4wk1
RCSB PDB
PDBbind
2BA
4xtt
RCSB PDB
PDBbind
2BA
4yp1
RCSB PDB
PDBbind
2BA
5ks7
RCSB PDB
PDBbind
2BA
5uxf
RCSB PDB
PDBbind
2BA
6a03
RCSB PDB
PDBbind
2BA
Entry Information
PDB ID
5f29
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
cation-roton antiporter RCK protein
Ligand Name
2BA
EC.Number
E.C.-.-.-.-
Resolution
1.82(Å)
Affinity (Kd/Ki/IC50)
Kd=9uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) Biochemistry Vol. 54: pp. 4936-4951
Ligand Properties
Formula
C
2
0
H
2
8
N
1
0
O
1
2
P
2
Molecular Weight
662.444
Exact Mass
662.136
No. of atoms
72
No. of bonds
77
Polar Surface Area
354.18
LOGP Value
-5.38 (
Computed with XLOGP3
)
-1.37 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 13
No. of Rotatable Bonds: 11
No. of Nitrogen and Oxygen Atoms: 22
No. of Rings: 6
Canonical SMILES
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](C[C@H]1O)COP(O[C@@H]1[C@@H](COP(O)(O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N)(O)O
InChI String
InChI=1S/C20H30N10O12P2/c21-15-11-17(25-4-23-15)29(6-27-11)19-9(31)1-8(40-19)2-39-44(36,37)42-14-10(3-38-43(33,34)35)41-20(13(14)32)30-7-28-12-16(22)24-5-26-18(12)30/h4-10,13-14,19-20,31-37,43-44H,1-3H2,(H2,21,23,25)(H2,22,24,26)/t8-,9+,10+,13+,14+,19+,20+/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q2FZQ4
Entrez Gene ID
NCBI Entrez Gene ID:
3920775
ASD
Information of known allosteric effects of PDB entries
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