Browse entries in the PDBbind-CN Database
HEADER 3LRH_COMPLEX COMPND 3LRH_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 109 PRO VAL LEU THR GLN SER PRO SER VAL SER ALA ALA PRO SEQRES 2 A 109 ARG GLN ARG VAL THR ILE SER VAL SER GLY SER ASN SER SEQRES 3 A 109 ASN ILE GLY SER ASN THR VAL ASN TRP ILE GLN GLN LEU SEQRES 4 A 109 PRO GLY ARG ALA PRO GLU LEU LEU MET TYR ASP ASP ASP SEQRES 5 A 109 LEU LEU ALA PRO GLY VAL SER ASP ARG PHE SER GLY SER SEQRES 6 A 109 ARG SER GLY THR SER ALA SER LEU THR ILE SER GLY LEU SEQRES 7 A 109 GLN SER GLU ASP GLU ALA ASP TYR TYR ALA ALA THR TRP SEQRES 8 A 109 ASP ASP SER LEU ASN GLY TRP VAL PHE GLY GLY GLY THR SEQRES 9 A 109 LYS VAL THR VAL LEU HET GLU A 135 243 ATOM 1 N PRO A 2 7.270 -34.661 -59.591 1.00 22.25 N ATOM 2 CA PRO A 2 7.323 -34.205 -58.203 1.00 21.19 C ATOM 3 C PRO A 2 6.484 -35.096 -57.291 1.00 21.73 C ATOM 4 O PRO A 2 5.277 -35.248 -57.503 1.00 22.35 O ATOM 5 CB PRO A 2 6.724 -32.788 -58.266 1.00 20.35 C ATOM 6 CG PRO A 2 6.754 -32.401 -59.716 1.00 20.79 C ATOM 7 CD PRO A 2 6.595 -33.688 -60.467 1.00 22.15 C ATOM 8 HA PRO A 2 8.334 -34.231 -57.796 1.00 0.00 H ATOM 9 HD3 PRO A 2 5.543 -33.940 -60.597 1.00 0.00 H ATOM 10 HD2 PRO A 2 7.078 -33.636 -61.443 1.00 0.00 H ATOM 11 HG3 PRO A 2 7.703 -31.926 -59.966 1.00 0.00 H ATOM 12 HG2 PRO A 2 5.936 -31.719 -59.947 1.00 0.00 H ATOM 13 HB2 PRO A 2 5.700 -32.791 -57.894 1.00 0.00 H ATOM 14 HB3 PRO A 2 7.322 -32.095 -57.674 1.00 0.00 H ATOM 15 N VAL A 3 7.129 -35.675 -56.283 1.00 21.64 N ATOM 16 CA VAL A 3 6.467 -36.583 -55.345 1.00 22.33 C ATOM 17 C VAL A 3 5.607 -35.822 -54.326 1.00 21.65 C ATOM 18 O VAL A 3 4.638 -36.365 -53.783 1.00 22.40 O ATOM 19 CB VAL A 3 7.501 -37.507 -54.645 1.00 22.69 C ATOM 20 CG1 VAL A 3 6.844 -38.389 -53.584 1.00 23.50 C ATOM 21 CG2 VAL A 3 8.225 -38.368 -55.684 1.00 23.71 C ATOM 22 HA VAL A 3 5.790 -37.215 -55.920 1.00 0.00 H ATOM 23 HB VAL A 3 8.227 -36.872 -54.138 1.00 0.00 H ATOM 24 HG11 VAL A 3 6.379 -37.758 -52.827 1.00 0.00 H ATOM 25 HG12 VAL A 3 6.085 -39.016 -54.053 1.00 0.00 H ATOM 26 HG13 VAL A 3 7.601 -39.020 -53.118 1.00 0.00 H ATOM 27 HG21 VAL A 3 7.498 -38.982 -56.216 1.00 0.00 H ATOM 28 HG22 VAL A 3 8.744 -37.722 -56.392 1.00 0.00 H ATOM 29 HG23 VAL A 3 8.947 -39.011 -55.181 1.00 0.00 H ATOM 30 H VAL A 3 8.142 -35.475 -56.156 1.00 0.00 H ATOM 31 N LEU A 4 5.955 -34.562 -54.083 1.00 20.42 N ATOM 32 CA LEU A 4 5.197 -33.731 -53.157 1.00 19.86 C ATOM 33 C LEU A 4 4.168 -32.890 -53.902 1.00 19.83 C ATOM 34 O LEU A 4 4.452 -32.348 -54.973 1.00 19.62 O ATOM 35 CB LEU A 4 6.130 -32.844 -52.330 1.00 18.78 C ATOM 36 CG LEU A 4 7.283 -33.523 -51.579 1.00 18.82 C ATOM 37 CD1 LEU A 4 8.178 -32.477 -50.938 1.00 17.88 C ATOM 38 CD2 LEU A 4 6.786 -34.528 -50.541 1.00 19.59 C ATOM 39 HA LEU A 4 4.664 -34.390 -52.472 1.00 0.00 H ATOM 40 HB2 LEU A 4 6.569 -32.113 -53.008 1.00 0.00 H ATOM 41 HB3 LEU A 4 5.518 -32.329 -51.590 1.00 0.00 H ATOM 42 HG LEU A 4 7.864 -34.087 -52.308 1.00 0.00 H ATOM 43 HD21 LEU A 4 6.162 -34.014 -49.810 1.00 0.00 H ATOM 44 HD22 LEU A 4 6.203 -35.303 -51.038 1.00 0.00 H ATOM 45 HD23 LEU A 4 7.640 -34.981 -50.037 1.00 0.00 H ATOM 46 HD11 LEU A 4 8.588 -31.828 -51.712 1.00 0.00 H ATOM 47 HD12 LEU A 4 7.594 -31.883 -50.235 1.00 0.00 H ATOM 48 HD13 LEU A 4 8.992 -32.972 -50.408 1.00 0.00 H ATOM 49 H LEU A 4 6.786 -34.161 -54.564 1.00 0.00 H ATOM 50 N THR A 5 2.972 -32.790 -53.328 1.00 20.22 N ATOM 51 CA THR A 5 1.872 -32.065 -53.954 1.00 20.45 C ATOM 52 C THR A 5 1.770 -30.631 -53.431 1.00 19.54 C ATOM 53 O THR A 5 1.587 -30.401 -52.231 1.00 19.35 O ATOM 54 CB THR A 5 0.531 -32.806 -53.769 1.00 21.75 C ATOM 55 OG1 THR A 5 0.680 -34.166 -54.193 1.00 22.79 O ATOM 56 CG2 THR A 5 -0.577 -32.144 -54.584 1.00 22.24 C ATOM 57 HA THR A 5 2.089 -32.017 -55.021 1.00 0.00 H ATOM 58 HB THR A 5 0.257 -32.766 -52.715 1.00 0.00 H ATOM 59 HG1 THR A 5 -0.179 -34.643 -54.075 1.00 0.00 H ATOM 60 HG23 THR A 5 -0.693 -31.109 -54.264 1.00 0.00 H ATOM 61 HG21 THR A 5 -0.314 -32.171 -55.641 1.00 0.00 H ATOM 62 HG22 THR A 5 -1.512 -32.681 -54.427 1.00 0.00 H ATOM 63 H THR A 5 2.817 -33.243 -52.405 1.00 0.00 H ATOM 64 N GLN A 6 1.902 -29.679 -54.352 1.00 19.16 N ATOM 65 CA GLN A 6 1.775 -28.258 -54.056 1.00 18.54 C ATOM 66 C GLN A 6 0.801 -27.619 -55.030 1.00 19.07 C ATOM 67 O GLN A 6 0.681 -28.061 -56.175 1.00 19.62 O ATOM 68 CB GLN A 6 3.128 -27.556 -54.192 1.00 17.65 C ATOM 69 CG GLN A 6 4.075 -27.746 -53.026 1.00 17.10 C ATOM 70 CD GLN A 6 5.341 -26.916 -53.163 1.00 16.45 C ATOM 71 OE1 GLN A 6 6.444 -27.456 -53.202 1.00 16.30 O ATOM 72 NE2 GLN A 6 5.186 -25.597 -53.236 1.00 16.22 N ATOM 73 HA GLN A 6 1.414 -28.153 -53.033 1.00 0.00 H ATOM 74 HB2 GLN A 6 3.617 -27.937 -55.089 1.00 0.00 H ATOM 75 HB3 GLN A 6 2.944 -26.488 -54.306 1.00 0.00 H ATOM 76 HG2 GLN A 6 3.563 -27.455 -52.109 1.00 0.00 H ATOM 77 HG3 GLN A 6 4.351 -28.799 -52.968 1.00 0.00 H ATOM 78 HE22 GLN A 6 4.233 -25.183 -53.199 1.00 0.00 H ATOM 79 HE21 GLN A 6 6.018 -24.980 -53.330 1.00 0.00 H ATOM 80 H GLN A 6 2.106 -29.964 -55.331 1.00 0.00 H ATOM 81 N SER A 7 0.115 -26.576 -54.571 1.00 19.04 N ATOM 82 CA SER A 7 -0.716 -25.749 -55.438 1.00 19.56 C ATOM 83 C SER A 7 0.198 -24.967 -56.393 1.00 19.07 C ATOM 84 O SER A 7 1.299 -24.581 -56.002 1.00 18.27 O ATOM 85 CB SER A 7 -1.556 -24.793 -54.593 1.00 19.74 C ATOM 86 OG SER A 7 -2.712 -24.374 -55.289 1.00 20.68 O ATOM 87 HA SER A 7 -1.394 -26.375 -56.018 1.00 0.00 H ATOM 88 HB2 SER A 7 -0.955 -23.919 -54.343 1.00 0.00 H ATOM 89 HB3 SER A 7 -1.857 -25.300 -53.676 1.00 0.00 H ATOM 90 HG SER A 7 -3.234 -23.757 -54.717 1.00 0.00 H ATOM 91 H SER A 7 0.173 -26.342 -53.559 1.00 0.00 H ATOM 92 N PRO A 8 -0.244 -24.748 -57.650 1.00 19.72 N ATOM 93 CA PRO A 8 0.629 -24.128 -58.653 1.00 19.50 C ATOM 94 C PRO A 8 0.957 -22.657 -58.380 1.00 19.09 C ATOM 95 O PRO A 8 2.106 -22.243 -58.567 1.00 18.61 O ATOM 96 CB PRO A 8 -0.176 -24.262 -59.956 1.00 20.57 C ATOM 97 CG PRO A 8 -1.214 -25.298 -59.675 1.00 21.31 C ATOM 98 CD PRO A 8 -1.544 -25.120 -58.233 1.00 20.88 C ATOM 99 HA PRO A 8 1.605 -24.614 -58.669 1.00 0.00 H ATOM 100 HD3 PRO A 8 -2.280 -24.328 -58.092 1.00 0.00 H ATOM 101 HD2 PRO A 8 -1.920 -26.046 -57.798 1.00 0.00 H ATOM 102 HG3 PRO A 8 -0.820 -26.297 -59.859 1.00 0.00 H ATOM 103 HG2 PRO A 8 -2.096 -25.137 -60.294 1.00 0.00 H ATOM 104 HB2 PRO A 8 -0.644 -23.312 -60.215 1.00 0.00 H ATOM 105 HB3 PRO A 8 0.471 -24.581 -60.773 1.00 0.00 H ATOM 106 N SER A 9 -0.037 -21.883 -57.947 1.00 19.47 N ATOM 107 CA SER A 9 0.156 -20.452 -57.696 1.00 19.37 C ATOM 108 C SER A 9 -0.740 -19.904 -56.587 1.00 19.61 C ATOM 109 O SER A 9 -1.770 -20.494 -56.252 1.00 20.10 O ATOM 110 CB SER A 9 -0.059 -19.647 -58.982 1.00 20.09 C ATOM 111 OG SER A 9 -1.420 -19.666 -59.378 1.00 21.06 O ATOM 112 HA SER A 9 1.185 -20.341 -57.355 1.00 0.00 H ATOM 113 HB2 SER A 9 0.549 -20.078 -59.777 1.00 0.00 H ATOM 114 HB3 SER A 9 0.247 -18.615 -58.811 1.00 0.00 H ATOM 115 HG SER A 9 -1.528 -19.139 -60.209 1.00 0.00 H ATOM 116 H SER A 9 -0.973 -22.305 -57.783 1.00 0.00 H ATOM 117 N VAL A 10 -0.327 -18.767 -56.028 1.00 19.44 N ATOM 118 CA VAL A 10 -1.101 -18.041 -55.020 1.00 19.86 C ATOM 119 C VAL A 10 -0.859 -16.527 -55.149 1.00 20.26 C ATOM 120 O VAL A 10 0.263 -16.086 -55.404 1.00 19.88 O ATOM 121 CB VAL A 10 -0.811 -18.568 -53.574 1.00 19.31 C ATOM 122 CG1 VAL A 10 0.606 -18.233 -53.125 1.00 18.56 C ATOM 123 CG2 VAL A 10 -1.837 -18.045 -52.577 1.00 20.01 C ATOM 124 HA VAL A 10 -2.160 -18.225 -55.203 1.00 0.00 H ATOM 125 HB VAL A 10 -0.897 -19.654 -53.605 1.00 0.00 H ATOM 126 HG11 VAL A 10 1.320 -18.693 -53.808 1.00 0.00 H ATOM 127 HG12 VAL A 10 0.741 -17.151 -53.130 1.00 0.00 H ATOM 128 HG13 VAL A 10 0.767 -18.616 -52.117 1.00 0.00 H ATOM 129 HG21 VAL A 10 -1.805 -16.956 -52.562 1.00 0.00 H ATOM 130 HG22 VAL A 10 -2.832 -18.376 -52.874 1.00 0.00 H ATOM 131 HG23 VAL A 10 -1.606 -18.430 -51.584 1.00 0.00 H ATOM 132 H VAL A 10 0.591 -18.376 -56.323 1.00 0.00 H ATOM 133 N SER A 11 -1.923 -15.743 -54.992 1.00 21.21 N ATOM 134 CA SER A 11 -1.830 -14.284 -55.060 1.00 21.87 C ATOM 135 C SER A 11 -2.387 -13.612 -53.811 1.00 22.43 C ATOM 136 O SER A 11 -3.331 -14.111 -53.204 1.00 22.74 O ATOM 137 CB SER A 11 -2.561 -13.754 -56.296 1.00 22.89 C ATOM 138 OG SER A 11 -1.920 -14.175 -57.484 1.00 22.57 O ATOM 139 HA SER A 11 -0.770 -14.039 -55.129 1.00 0.00 H ATOM 140 HB2 SER A 11 -2.572 -12.665 -56.264 1.00 0.00 H ATOM 141 HB3 SER A 11 -3.585 -14.127 -56.292 1.00 0.00 H ATOM 142 HG SER A 11 -1.911 -15.164 -57.520 1.00 0.00 H ATOM 143 H SER A 11 -2.850 -16.181 -54.815 1.00 0.00 H ATOM 144 N ALA A 12 -1.793 -12.482 -53.435 1.00 22.73 N ATOM 145 CA ALA A 12 -2.311 -11.647 -52.350 1.00 23.57 C ATOM 146 C ALA A 12 -1.875 -10.187 -52.476 1.00 24.45 C ATOM 147 O ALA A 12 -0.947 -9.863 -53.222 1.00 24.25 O ATOM 148 CB ALA A 12 -1.905 -12.207 -50.995 1.00 22.93 C ATOM 149 HA ALA A 12 -3.398 -11.667 -52.430 1.00 0.00 H ATOM 150 HB1 ALA A 12 -2.305 -13.215 -50.885 1.00 0.00 H ATOM 151 HB2 ALA A 12 -0.818 -12.237 -50.927 1.00 0.00 H ATOM 152 HB3 ALA A 12 -2.302 -11.569 -50.206 1.00 0.00 H ATOM 153 H ALA A 12 -0.929 -12.181 -53.930 1.00 0.00 H ATOM 154 N ALA A 13 -2.566 -9.319 -51.741 1.00 25.62 N ATOM 155 CA ALA A 13 -2.225 -7.903 -51.645 1.00 26.75 C ATOM 156 C ALA A 13 -0.991 -7.717 -50.756 1.00 26.30 C ATOM 157 O ALA A 13 -0.628 -8.635 -50.012 1.00 25.27 O ATOM 158 CB ALA A 13 -3.412 -7.120 -51.090 1.00 28.32 C ATOM 159 HA ALA A 13 -1.992 -7.523 -52.640 1.00 0.00 H ATOM 160 HB1 ALA A 13 -4.268 -7.240 -51.754 1.00 0.00 H ATOM 161 HB2 ALA A 13 -3.664 -7.498 -50.099 1.00 0.00 H ATOM 162 HB3 ALA A 13 -3.149 -6.064 -51.022 1.00 0.00 H ATOM 163 H ALA A 13 -3.389 -9.667 -51.209 1.00 0.00 H ATOM 164 N PRO A 14 -0.336 -6.536 -50.833 1.00 27.24 N ATOM 165 CA PRO A 14 0.791 -6.235 -49.943 1.00 27.18 C ATOM 166 C PRO A 14 0.398 -6.306 -48.468 1.00 27.48 C ATOM 167 O PRO A 14 -0.749 -6.006 -48.123 1.00 28.42 O ATOM 168 CB PRO A 14 1.152 -4.793 -50.312 1.00 28.74 C ATOM 169 CG PRO A 14 0.669 -4.620 -51.697 1.00 29.04 C ATOM 170 CD PRO A 14 -0.574 -5.444 -51.797 1.00 28.56 C ATOM 171 HA PRO A 14 1.607 -6.948 -50.065 1.00 0.00 H ATOM 172 HD3 PRO A 14 -1.452 -4.862 -51.519 1.00 0.00 H ATOM 173 HD2 PRO A 14 -0.704 -5.835 -52.806 1.00 0.00 H ATOM 174 HG3 PRO A 14 1.417 -4.972 -52.408 1.00 0.00 H ATOM 175 HG2 PRO A 14 0.447 -3.571 -51.894 1.00 0.00 H ATOM 176 HB2 PRO A 14 0.656 -4.090 -49.642 1.00 0.00 H ATOM 177 HB3 PRO A 14 2.230 -4.643 -50.260 1.00 0.00 H ATOM 178 N ARG A 15 1.348 -6.708 -47.622 1.00 26.83 N ATOM 179 CA ARG A 15 1.163 -6.819 -46.160 1.00 27.17 C ATOM 180 C ARG A 15 0.266 -7.972 -45.706 1.00 26.43 C ATOM 181 O ARG A 15 0.172 -8.246 -44.507 1.00 26.62 O ATOM 182 CB ARG A 15 0.648 -5.514 -45.542 1.00 29.10 C ATOM 183 CG ARG A 15 1.581 -4.326 -45.646 1.00 30.22 C ATOM 184 CD ARG A 15 0.978 -3.109 -44.943 1.00 32.33 C ATOM 185 NE ARG A 15 -0.428 -2.886 -45.293 1.00 33.08 N ATOM 186 CZ ARG A 15 -0.855 -2.265 -46.392 1.00 33.76 C ATOM 187 NH1 ARG A 15 0.007 -1.785 -47.282 1.00 33.82 N ATOM 188 NH2 ARG A 15 -2.157 -2.124 -46.603 1.00 34.55 N ATOM 189 HA ARG A 15 2.167 -7.036 -45.796 1.00 0.00 H ATOM 190 HB2 ARG A 15 -0.285 -5.252 -46.041 1.00 0.00 H ATOM 191 HB3 ARG A 15 0.455 -5.697 -44.485 1.00 0.00 H ATOM 192 HG2 ARG A 15 2.534 -4.575 -45.178 1.00 0.00 H ATOM 193 HG3 ARG A 15 1.745 -4.089 -46.697 1.00 0.00 H ATOM 194 HD2 ARG A 15 1.551 -2.225 -45.224 1.00 0.00 H ATOM 195 HD3 ARG A 15 1.049 -3.259 -43.866 1.00 0.00 H ATOM 196 HE ARG A 15 -1.149 -3.240 -44.632 1.00 0.00 H ATOM 197 HH12 ARG A 15 -0.341 -1.303 -48.135 1.00 0.00 H ATOM 198 HH11 ARG A 15 1.030 -1.892 -47.125 1.00 0.00 H ATOM 199 HH22 ARG A 15 -2.496 -1.640 -47.459 1.00 0.00 H ATOM 200 HH21 ARG A 15 -2.839 -2.497 -45.912 1.00 0.00 H ATOM 201 H ARG A 15 2.277 -6.959 -48.016 1.00 0.00 H ATOM 202 N GLN A 16 -0.392 -8.642 -46.650 1.00 25.78 N ATOM 203 CA GLN A 16 -1.232 -9.792 -46.322 1.00 25.24 C ATOM 204 C GLN A 16 -0.387 -11.033 -46.039 1.00 23.80 C ATOM 205 O GLN A 16 0.806 -11.068 -46.346 1.00 23.10 O ATOM 206 CB GLN A 16 -2.254 -10.073 -47.432 1.00 25.31 C ATOM 207 CG GLN A 16 -3.350 -9.012 -47.577 1.00 26.95 C ATOM 208 CD GLN A 16 -4.067 -8.701 -46.266 1.00 28.11 C ATOM 209 OE1 GLN A 16 -4.055 -7.560 -45.795 1.00 29.37 O ATOM 210 NE2 GLN A 16 -4.688 -9.715 -45.670 1.00 27.85 N ATOM 211 HA GLN A 16 -1.782 -9.544 -45.414 1.00 0.00 H ATOM 212 HB2 GLN A 16 -1.718 -10.139 -48.379 1.00 0.00 H ATOM 213 HB3 GLN A 16 -2.733 -11.029 -47.219 1.00 0.00 H ATOM 214 HG2 GLN A 16 -2.896 -8.094 -47.949 1.00 0.00 H ATOM 215 HG3 GLN A 16 -4.085 -9.370 -48.297 1.00 0.00 H ATOM 216 HE22 GLN A 16 -4.673 -10.661 -46.102 1.00 0.00 H ATOM 217 HE21 GLN A 16 -5.189 -9.562 -44.772 1.00 0.00 H ATOM 218 H GLN A 16 -0.306 -8.341 -47.642 1.00 0.00 H ATOM 219 N ARG A 17 -1.015 -12.038 -45.435 1.00 23.55 N ATOM 220 CA ARG A 17 -0.354 -13.299 -45.128 1.00 22.38 C ATOM 221 C ARG A 17 -0.712 -14.344 -46.182 1.00 21.61 C ATOM 222 O ARG A 17 -1.892 -14.593 -46.443 1.00 22.12 O ATOM 223 CB ARG A 17 -0.753 -13.776 -43.724 1.00 22.82 C ATOM 224 CG ARG A 17 -0.110 -15.087 -43.288 1.00 21.85 C ATOM 225 CD ARG A 17 -0.450 -15.449 -41.841 1.00 22.52 C ATOM 226 NE ARG A 17 0.193 -14.557 -40.877 1.00 23.16 N ATOM 227 CZ ARG A 17 -0.457 -13.735 -40.055 1.00 24.52 C ATOM 228 NH1 ARG A 17 -1.787 -13.688 -40.059 1.00 25.53 N ATOM 229 NH2 ARG A 17 0.223 -12.961 -39.217 1.00 25.20 N ATOM 230 HA ARG A 17 0.726 -13.152 -45.143 1.00 0.00 H ATOM 231 HB2 ARG A 17 -0.468 -13.004 -43.009 1.00 0.00 H ATOM 232 HB3 ARG A 17 -1.835 -13.906 -43.704 1.00 0.00 H ATOM 233 HG2 ARG A 17 -0.463 -15.885 -43.941 1.00 0.00 H ATOM 234 HG3 ARG A 17 0.972 -14.995 -43.381 1.00 0.00 H ATOM 235 HD2 ARG A 17 -0.120 -16.470 -41.648 1.00 0.00 H ATOM 236 HD3 ARG A 17 -1.530 -15.387 -41.709 1.00 0.00 H ATOM 237 HE ARG A 17 1.232 -14.565 -40.830 1.00 0.00 H ATOM 238 HH12 ARG A 17 -2.286 -13.043 -39.414 1.00 0.00 H ATOM 239 HH11 ARG A 17 -2.327 -14.296 -40.707 1.00 0.00 H ATOM 240 HH22 ARG A 17 -0.284 -12.319 -38.575 1.00 0.00 H ATOM 241 HH21 ARG A 17 1.262 -12.997 -39.203 1.00 0.00 H ATOM 242 H ARG A 17 -2.014 -11.919 -45.172 1.00 0.00 H ATOM 243 N VAL A 18 0.312 -14.933 -46.797 1.00 20.55 N ATOM 244 CA VAL A 18 0.122 -16.047 -47.729 1.00 19.88 C ATOM 245 C VAL A 18 0.671 -17.352 -47.156 1.00 19.14 C ATOM 246 O VAL A 18 1.799 -17.400 -46.653 1.00 18.69 O ATOM 247 CB VAL A 18 0.735 -15.785 -49.137 1.00 19.48 C ATOM 248 CG1 VAL A 18 -0.018 -14.691 -49.849 1.00 20.36 C ATOM 249 CG2 VAL A 18 2.218 -15.457 -49.054 1.00 18.99 C ATOM 250 HA VAL A 18 -0.956 -16.138 -47.860 1.00 0.00 H ATOM 251 HB VAL A 18 0.638 -16.704 -49.715 1.00 0.00 H ATOM 252 HG11 VAL A 18 -1.061 -14.987 -49.967 1.00 0.00 H ATOM 253 HG12 VAL A 18 0.037 -13.773 -49.263 1.00 0.00 H ATOM 254 HG13 VAL A 18 0.427 -14.525 -50.830 1.00 0.00 H ATOM 255 HG21 VAL A 18 2.358 -14.562 -48.447 1.00 0.00 H ATOM 256 HG22 VAL A 18 2.749 -16.293 -48.599 1.00 0.00 H ATOM 257 HG23 VAL A 18 2.607 -15.281 -50.057 1.00 0.00 H ATOM 258 H VAL A 18 1.276 -14.591 -46.610 1.00 0.00 H ATOM 259 N THR A 19 -0.139 -18.404 -47.233 1.00 19.21 N ATOM 260 CA THR A 19 0.252 -19.713 -46.725 1.00 18.75 C ATOM 261 C THR A 19 0.376 -20.710 -47.872 1.00 18.27 C ATOM 262 O THR A 19 -0.605 -21.024 -48.550 1.00 18.73 O ATOM 263 CB THR A 19 -0.730 -20.226 -45.646 1.00 19.51 C ATOM 264 OG1 THR A 19 -0.917 -19.214 -44.649 1.00 20.16 O ATOM 265 CG2 THR A 19 -0.193 -21.488 -44.976 1.00 19.19 C ATOM 266 HA THR A 19 1.226 -19.609 -46.247 1.00 0.00 H ATOM 267 HB THR A 19 -1.678 -20.460 -46.130 1.00 0.00 H ATOM 268 HG1 THR A 19 -1.546 -19.544 -43.959 1.00 0.00 H ATOM 269 HG23 THR A 19 -0.048 -22.263 -45.728 1.00 0.00 H ATOM 270 HG21 THR A 19 0.759 -21.265 -44.494 1.00 0.00 H ATOM 271 HG22 THR A 19 -0.908 -21.834 -44.229 1.00 0.00 H ATOM 272 H THR A 19 -1.077 -18.290 -47.668 1.00 0.00 H ATOM 273 N ILE A 20 1.600 -21.182 -48.086 1.00 17.52 N ATOM 274 CA ILE A 20 1.889 -22.182 -49.111 1.00 17.18 C ATOM 275 C ILE A 20 1.919 -23.570 -48.473 1.00 17.21 C ATOM 276 O ILE A 20 2.808 -23.883 -47.679 1.00 16.90 O ATOM 277 CB ILE A 20 3.230 -21.887 -49.834 1.00 16.56 C ATOM 278 CG1 ILE A 20 3.163 -20.539 -50.563 1.00 16.74 C ATOM 279 CG2 ILE A 20 3.583 -23.014 -50.804 1.00 16.36 C ATOM 280 CD1 ILE A 20 4.513 -19.894 -50.813 1.00 16.42 C ATOM 281 HA ILE A 20 1.100 -22.143 -49.862 1.00 0.00 H ATOM 282 HB ILE A 20 4.019 -21.830 -49.084 1.00 0.00 H ATOM 283 HG12 ILE A 20 2.676 -20.695 -51.526 1.00 0.00 H ATOM 284 HG13 ILE A 20 2.564 -19.855 -49.961 1.00 0.00 H ATOM 285 HD11 ILE A 20 5.011 -19.716 -49.860 1.00 0.00 H ATOM 286 HD12 ILE A 20 5.123 -20.557 -51.426 1.00 0.00 H ATOM 287 HD13 ILE A 20 4.371 -18.946 -51.332 1.00 0.00 H ATOM 288 HG21 ILE A 20 3.679 -23.949 -50.253 1.00 0.00 H ATOM 289 HG22 ILE A 20 2.794 -23.110 -51.550 1.00 0.00 H ATOM 290 HG23 ILE A 20 4.527 -22.784 -51.298 1.00 0.00 H ATOM 291 H ILE A 20 2.382 -20.826 -47.501 1.00 0.00 H ATOM 292 N SER A 21 0.940 -24.397 -48.817 1.00 17.76 N ATOM 293 CA SER A 21 0.859 -25.743 -48.263 1.00 18.07 C ATOM 294 C SER A 21 1.500 -26.790 -49.168 1.00 17.87 C ATOM 295 O SER A 21 1.636 -26.593 -50.379 1.00 17.70 O ATOM 296 CB SER A 21 -0.592 -26.113 -47.958 1.00 19.12 C ATOM 297 OG SER A 21 -1.093 -25.334 -46.886 1.00 19.48 O ATOM 298 HA SER A 21 1.428 -25.737 -47.333 1.00 0.00 H ATOM 299 HB2 SER A 21 -0.643 -27.168 -47.689 1.00 0.00 H ATOM 300 HB3 SER A 21 -1.201 -25.936 -48.845 1.00 0.00 H ATOM 301 HG SER A 21 -2.032 -25.589 -46.705 1.00 0.00 H ATOM 302 H SER A 21 0.217 -24.079 -49.494 1.00 0.00 H ATOM 303 N VAL A 22 1.907 -27.895 -48.549 1.00 18.03 N ATOM 304 CA VAL A 22 2.399 -29.070 -49.254 1.00 18.16 C ATOM 305 C VAL A 22 1.954 -30.324 -48.501 1.00 19.03 C ATOM 306 O VAL A 22 1.919 -30.338 -47.267 1.00 19.20 O ATOM 307 CB VAL A 22 3.942 -29.043 -49.431 1.00 17.41 C ATOM 308 CG1 VAL A 22 4.659 -28.964 -48.083 1.00 17.18 C ATOM 309 CG2 VAL A 22 4.423 -30.250 -50.237 1.00 17.74 C ATOM 310 HA VAL A 22 1.975 -29.075 -50.258 1.00 0.00 H ATOM 311 HB VAL A 22 4.192 -28.142 -49.990 1.00 0.00 H ATOM 312 HG11 VAL A 22 4.355 -28.055 -47.564 1.00 0.00 H ATOM 313 HG12 VAL A 22 4.395 -29.834 -47.481 1.00 0.00 H ATOM 314 HG13 VAL A 22 5.737 -28.947 -48.246 1.00 0.00 H ATOM 315 HG21 VAL A 22 4.147 -31.167 -49.716 1.00 0.00 H ATOM 316 HG22 VAL A 22 3.957 -30.236 -51.222 1.00 0.00 H ATOM 317 HG23 VAL A 22 5.507 -30.205 -50.345 1.00 0.00 H ATOM 318 H VAL A 22 1.872 -27.921 -47.510 1.00 0.00 H ATOM 319 N SER A 23 1.597 -31.363 -49.250 1.00 19.77 N ATOM 320 CA SER A 23 1.209 -32.640 -48.665 1.00 20.84 C ATOM 321 C SER A 23 1.951 -33.786 -49.343 1.00 21.17 C ATOM 322 O SER A 23 1.941 -33.904 -50.572 1.00 21.28 O ATOM 323 CB SER A 23 -0.300 -32.845 -48.775 1.00 22.01 C ATOM 324 OG SER A 23 -0.711 -32.828 -50.127 1.00 22.27 O ATOM 325 HA SER A 23 1.480 -32.629 -47.609 1.00 0.00 H ATOM 326 HB2 SER A 23 -0.810 -32.046 -48.236 1.00 0.00 H ATOM 327 HB3 SER A 23 -0.564 -33.806 -48.333 1.00 0.00 H ATOM 328 HG SER A 23 -0.253 -33.555 -50.619 1.00 0.00 H ATOM 329 H SER A 23 1.595 -31.261 -50.285 1.00 0.00 H ATOM 330 N GLY A 24 2.603 -34.613 -48.529 1.00 21.46 N ATOM 331 CA GLY A 24 3.319 -35.790 -49.011 1.00 22.03 C ATOM 332 C GLY A 24 2.705 -37.057 -48.449 1.00 23.57 C ATOM 333 O GLY A 24 1.481 -37.173 -48.367 1.00 24.46 O ATOM 334 HA3 GLY A 24 4.361 -35.728 -48.699 1.00 0.00 H ATOM 335 HA2 GLY A 24 3.268 -35.819 -50.099 1.00 0.00 H ATOM 336 H GLY A 24 2.602 -34.412 -47.509 1.00 0.00 H ATOM 337 N SER A 25 3.556 -38.006 -48.062 1.00 24.05 N ATOM 338 CA SER A 25 3.105 -39.254 -47.435 1.00 25.69 C ATOM 339 C SER A 25 3.979 -39.652 -46.237 1.00 25.78 C ATOM 340 O SER A 25 4.854 -38.887 -45.821 1.00 24.56 O ATOM 341 CB SER A 25 3.025 -40.386 -48.468 1.00 26.98 C ATOM 342 OG SER A 25 4.264 -40.567 -49.131 1.00 26.49 O ATOM 343 HA SER A 25 2.103 -39.076 -47.046 1.00 0.00 H ATOM 344 HB2 SER A 25 2.260 -40.141 -49.205 1.00 0.00 H ATOM 345 HB3 SER A 25 2.755 -41.312 -47.960 1.00 0.00 H ATOM 346 HG SER A 25 4.181 -41.302 -49.789 1.00 0.00 H ATOM 347 H SER A 25 4.575 -37.857 -48.209 1.00 0.00 H ATOM 348 N ASN A 26 3.726 -40.840 -45.686 1.00 27.40 N ATOM 349 CA ASN A 26 4.431 -41.341 -44.500 1.00 27.86 C ATOM 350 C ASN A 26 5.941 -41.465 -44.676 1.00 27.23 C ATOM 351 O ASN A 26 6.704 -41.145 -43.761 1.00 26.75 O ATOM 352 CB ASN A 26 3.862 -42.697 -44.061 1.00 30.02 C ATOM 353 CG ASN A 26 2.404 -42.618 -43.635 1.00 30.95 C ATOM 354 OD1 ASN A 26 1.872 -41.538 -43.366 1.00 29.99 O ATOM 355 ND2 ASN A 26 1.751 -43.774 -43.567 1.00 33.02 N ATOM 356 HA ASN A 26 4.263 -40.588 -43.730 1.00 0.00 H ATOM 357 HB2 ASN A 26 3.944 -43.395 -44.894 1.00 0.00 H ATOM 358 HB3 ASN A 26 4.450 -43.066 -43.221 1.00 0.00 H ATOM 359 HD22 ASN A 26 2.239 -44.662 -43.803 1.00 0.00 H ATOM 360 HD21 ASN A 26 0.752 -43.791 -43.278 1.00 0.00 H ATOM 361 H ASN A 26 2.994 -41.440 -46.117 1.00 0.00 H ATOM 362 N SER A 27 6.365 -41.929 -45.849 1.00 27.41 N ATOM 363 CA SER A 27 7.781 -42.174 -46.110 1.00 27.16 C ATOM 364 C SER A 27 8.590 -40.890 -46.332 1.00 25.34 C ATOM 365 O SER A 27 9.800 -40.879 -46.103 1.00 25.09 O ATOM 366 CB SER A 27 7.968 -43.160 -47.270 1.00 28.26 C ATOM 367 OG SER A 27 7.484 -42.627 -48.489 1.00 27.67 O ATOM 368 HA SER A 27 8.182 -42.628 -45.204 1.00 0.00 H ATOM 369 HB2 SER A 27 7.426 -44.079 -47.045 1.00 0.00 H ATOM 370 HB3 SER A 27 9.029 -43.383 -47.378 1.00 0.00 H ATOM 371 HG SER A 27 7.976 -41.795 -48.703 1.00 0.00 H ATOM 372 H SER A 27 5.671 -42.122 -46.599 1.00 0.00 H ATOM 373 N ASN A 28 7.931 -39.815 -46.765 1.00 24.25 N ATOM 374 CA ASN A 28 8.616 -38.523 -46.906 1.00 22.70 C ATOM 375 C ASN A 28 8.317 -37.500 -45.792 1.00 21.94 C ATOM 376 O ASN A 28 9.006 -37.494 -44.771 1.00 21.97 O ATOM 377 CB ASN A 28 8.487 -37.936 -48.327 1.00 22.05 C ATOM 378 CG ASN A 28 7.058 -37.915 -48.840 1.00 22.41 C ATOM 379 OD1 ASN A 28 6.194 -37.238 -48.286 1.00 22.08 O ATOM 380 ND2 ASN A 28 6.814 -38.637 -49.926 1.00 23.25 N ATOM 381 HA ASN A 28 9.671 -38.756 -46.761 1.00 0.00 H ATOM 382 HB2 ASN A 28 8.866 -36.914 -48.315 1.00 0.00 H ATOM 383 HB3 ASN A 28 9.090 -38.538 -49.007 1.00 0.00 H ATOM 384 HD22 ASN A 28 7.576 -39.195 -50.361 1.00 0.00 H ATOM 385 HD21 ASN A 28 5.861 -38.645 -50.342 1.00 0.00 H ATOM 386 H ASN A 28 6.922 -39.892 -47.005 1.00 0.00 H ATOM 387 N ILE A 29 7.299 -36.659 -45.973 1.00 21.42 N ATOM 388 CA ILE A 29 6.956 -35.615 -44.993 1.00 20.83 C ATOM 389 C ILE A 29 6.527 -36.205 -43.641 1.00 21.81 C ATOM 390 O ILE A 29 6.704 -35.577 -42.592 1.00 21.57 O ATOM 391 CB ILE A 29 5.868 -34.638 -45.535 1.00 20.33 C ATOM 392 CG1 ILE A 29 6.333 -33.980 -46.839 1.00 19.46 C ATOM 393 CG2 ILE A 29 5.516 -33.570 -44.494 1.00 19.94 C ATOM 394 CD1 ILE A 29 5.368 -32.945 -47.414 1.00 19.03 C ATOM 395 HA ILE A 29 7.869 -35.042 -44.830 1.00 0.00 H ATOM 396 HB ILE A 29 4.970 -35.220 -45.740 1.00 0.00 H ATOM 397 HG12 ILE A 29 7.286 -33.487 -46.649 1.00 0.00 H ATOM 398 HG13 ILE A 29 6.473 -34.764 -47.583 1.00 0.00 H ATOM 399 HD11 ILE A 29 4.411 -33.421 -47.626 1.00 0.00 H ATOM 400 HD12 ILE A 29 5.224 -32.143 -46.690 1.00 0.00 H ATOM 401 HD13 ILE A 29 5.783 -32.535 -48.335 1.00 0.00 H ATOM 402 HG21 ILE A 29 5.134 -34.053 -43.595 1.00 0.00 H ATOM 403 HG22 ILE A 29 6.409 -32.996 -44.248 1.00 0.00 H ATOM 404 HG23 ILE A 29 4.755 -32.904 -44.901 1.00 0.00 H ATOM 405 H ILE A 29 6.727 -36.743 -46.837 1.00 0.00 H ATOM 406 N GLY A 30 5.986 -37.420 -43.679 1.00 23.09 N ATOM 407 CA GLY A 30 5.479 -38.095 -42.484 1.00 24.33 C ATOM 408 C GLY A 30 6.518 -38.487 -41.448 1.00 24.67 C ATOM 409 O GLY A 30 6.184 -38.672 -40.278 1.00 25.48 O ATOM 410 HA3 GLY A 30 4.969 -39.003 -42.805 1.00 0.00 H ATOM 411 HA2 GLY A 30 4.763 -37.429 -42.003 1.00 0.00 H ATOM 412 H GLY A 30 5.921 -37.909 -44.594 1.00 0.00 H ATOM 413 N SER A 31 7.776 -38.616 -41.870 1.00 24.21 N ATOM 414 CA SER A 31 8.849 -39.079 -40.982 1.00 24.72 C ATOM 415 C SER A 31 10.163 -38.310 -41.142 1.00 23.65 C ATOM 416 O SER A 31 11.107 -38.516 -40.374 1.00 24.05 O ATOM 417 CB SER A 31 9.081 -40.584 -41.162 1.00 26.20 C ATOM 418 OG SER A 31 9.232 -40.915 -42.530 1.00 26.05 O ATOM 419 HA SER A 31 8.507 -38.878 -39.967 1.00 0.00 H ATOM 420 HB2 SER A 31 8.228 -41.127 -40.756 1.00 0.00 H ATOM 421 HB3 SER A 31 9.984 -40.873 -40.624 1.00 0.00 H ATOM 422 HG SER A 31 8.412 -40.659 -43.023 1.00 0.00 H ATOM 423 H SER A 31 8.004 -38.382 -42.857 1.00 0.00 H ATOM 424 N ASN A 32 10.216 -37.425 -42.135 1.00 22.46 N ATOM 425 CA ASN A 32 11.365 -36.542 -42.326 1.00 21.53 C ATOM 426 C ASN A 32 10.969 -35.072 -42.239 1.00 20.46 C ATOM 427 O ASN A 32 9.798 -34.726 -42.407 1.00 20.27 O ATOM 428 CB ASN A 32 12.055 -36.833 -43.658 1.00 21.35 C ATOM 429 CG ASN A 32 12.524 -38.266 -43.765 1.00 22.58 C ATOM 430 OD1 ASN A 32 13.542 -38.645 -43.187 1.00 23.14 O ATOM 431 ND2 ASN A 32 11.780 -39.075 -44.510 1.00 23.20 N ATOM 432 HA ASN A 32 12.068 -36.742 -41.517 1.00 0.00 H ATOM 433 HB2 ASN A 32 11.352 -36.633 -44.467 1.00 0.00 H ATOM 434 HB3 ASN A 32 12.918 -36.174 -43.757 1.00 0.00 H ATOM 435 HD22 ASN A 32 10.927 -38.711 -44.980 1.00 0.00 H ATOM 436 HD21 ASN A 32 12.050 -40.073 -44.623 1.00 0.00 H ATOM 437 H ASN A 32 9.415 -37.360 -42.795 1.00 0.00 H ATOM 438 N THR A 33 11.952 -34.215 -41.968 1.00 19.95 N ATOM 439 CA THR A 33 11.710 -32.779 -41.821 1.00 19.14 C ATOM 440 C THR A 33 11.705 -32.077 -43.175 1.00 18.30 C ATOM 441 O THR A 33 12.384 -32.503 -44.109 1.00 18.28 O ATOM 442 CB THR A 33 12.733 -32.103 -40.873 1.00 19.22 C ATOM 443 OG1 THR A 33 14.060 -32.273 -41.386 1.00 19.25 O ATOM 444 CG2 THR A 33 12.644 -32.696 -39.465 1.00 20.18 C ATOM 445 HA THR A 33 10.723 -32.677 -41.369 1.00 0.00 H ATOM 446 HB THR A 33 12.498 -31.040 -40.817 1.00 0.00 H ATOM 447 HG1 THR A 33 14.707 -31.839 -40.775 1.00 0.00 H ATOM 448 HG23 THR A 33 11.633 -32.564 -39.080 1.00 0.00 H ATOM 449 HG21 THR A 33 12.884 -33.759 -39.504 1.00 0.00 H ATOM 450 HG22 THR A 33 13.352 -32.186 -38.812 1.00 0.00 H ATOM 451 H THR A 33 12.921 -34.577 -41.858 1.00 0.00 H ATOM 452 N VAL A 34 10.929 -30.999 -43.264 1.00 17.76 N ATOM 453 CA VAL A 34 10.719 -30.278 -44.517 1.00 17.10 C ATOM 454 C VAL A 34 11.668 -29.086 -44.666 1.00 16.67 C ATOM 455 O VAL A 34 11.994 -28.410 -43.689 1.00 16.77 O ATOM 456 CB VAL A 34 9.237 -29.827 -44.657 1.00 16.99 C ATOM 457 CG1 VAL A 34 9.035 -28.909 -45.866 1.00 16.41 C ATOM 458 CG2 VAL A 34 8.321 -31.040 -44.757 1.00 17.62 C ATOM 459 HA VAL A 34 10.947 -30.972 -45.326 1.00 0.00 H ATOM 460 HB VAL A 34 8.981 -29.258 -43.763 1.00 0.00 H ATOM 461 HG11 VAL A 34 9.655 -28.020 -45.753 1.00 0.00 H ATOM 462 HG12 VAL A 34 9.320 -29.439 -46.775 1.00 0.00 H ATOM 463 HG13 VAL A 34 7.987 -28.617 -45.928 1.00 0.00 H ATOM 464 HG21 VAL A 34 8.597 -31.631 -45.630 1.00 0.00 H ATOM 465 HG22 VAL A 34 8.425 -31.647 -43.858 1.00 0.00 H ATOM 466 HG23 VAL A 34 7.288 -30.706 -44.854 1.00 0.00 H ATOM 467 H VAL A 34 10.452 -30.656 -42.406 1.00 0.00 H ATOM 468 N ASN A 35 12.119 -28.859 -45.899 1.00 16.36 N ATOM 469 CA ASN A 35 12.859 -27.656 -46.267 1.00 16.09 C ATOM 470 C ASN A 35 12.066 -26.816 -47.259 1.00 15.69 C ATOM 471 O ASN A 35 11.239 -27.339 -48.005 1.00 15.63 O ATOM 472 CB ASN A 35 14.214 -28.013 -46.881 1.00 16.33 C ATOM 473 CG ASN A 35 15.075 -28.856 -45.962 1.00 16.89 C ATOM 474 OD1 ASN A 35 14.963 -28.781 -44.736 1.00 17.09 O ATOM 475 ND2 ASN A 35 15.950 -29.663 -46.554 1.00 17.29 N ATOM 476 HA ASN A 35 13.021 -27.080 -45.356 1.00 0.00 H ATOM 477 HB2 ASN A 35 14.043 -28.568 -47.803 1.00 0.00 H ATOM 478 HB3 ASN A 35 14.747 -27.090 -47.108 1.00 0.00 H ATOM 479 HD22 ASN A 35 16.010 -29.694 -47.592 1.00 0.00 H ATOM 480 HD21 ASN A 35 16.575 -30.264 -45.979 1.00 0.00 H ATOM 481 H ASN A 35 11.935 -29.572 -46.633 1.00 0.00 H ATOM 482 N TRP A 36 12.323 -25.512 -47.263 1.00 15.58 N ATOM 483 CA TRP A 36 11.722 -24.619 -48.244 1.00 15.37 C ATOM 484 C TRP A 36 12.792 -23.931 -49.081 1.00 15.49 C ATOM 485 O TRP A 36 13.803 -23.452 -48.556 1.00 15.78 O ATOM 486 CB TRP A 36 10.793 -23.609 -47.573 1.00 15.38 C ATOM 487 CG TRP A 36 9.540 -24.247 -47.040 1.00 15.41 C ATOM 488 CD1 TRP A 36 9.304 -24.639 -45.755 1.00 15.67 C ATOM 489 CD2 TRP A 36 8.361 -24.582 -47.784 1.00 15.39 C ATOM 490 NE1 TRP A 36 8.050 -25.191 -45.648 1.00 15.84 N ATOM 491 CE2 TRP A 36 7.449 -25.170 -46.879 1.00 15.68 C ATOM 492 CE3 TRP A 36 7.985 -24.440 -49.126 1.00 15.31 C ATOM 493 CZ2 TRP A 36 6.183 -25.613 -47.271 1.00 15.93 C ATOM 494 CZ3 TRP A 36 6.729 -24.883 -49.517 1.00 15.52 C ATOM 495 CH2 TRP A 36 5.842 -25.462 -48.590 1.00 15.85 C ATOM 496 HA TRP A 36 11.113 -25.219 -48.920 1.00 0.00 H ATOM 497 HB2 TRP A 36 11.326 -23.139 -46.746 1.00 0.00 H ATOM 498 HB3 TRP A 36 10.516 -22.849 -48.304 1.00 0.00 H ATOM 499 HE1 TRP A 36 7.626 -25.564 -44.775 1.00 0.00 H ATOM 500 HD1 TRP A 36 10.009 -24.530 -44.931 1.00 0.00 H ATOM 501 HZ2 TRP A 36 5.493 -26.061 -46.556 1.00 0.00 H ATOM 502 HH2 TRP A 36 4.862 -25.798 -48.929 1.00 0.00 H ATOM 503 HZ3 TRP A 36 6.425 -24.781 -50.559 1.00 0.00 H ATOM 504 HE3 TRP A 36 8.666 -23.990 -49.849 1.00 0.00 H ATOM 505 H TRP A 36 12.969 -25.120 -46.548 1.00 0.00 H ATOM 506 N ILE A 37 12.560 -23.914 -50.391 1.00 15.44 N ATOM 507 CA ILE A 37 13.495 -23.338 -51.347 1.00 15.72 C ATOM 508 C ILE A 37 12.826 -22.187 -52.103 1.00 15.77 C ATOM 509 O ILE A 37 11.735 -22.344 -52.658 1.00 15.61 O ATOM 510 CB ILE A 37 14.042 -24.418 -52.323 1.00 15.91 C ATOM 511 CG1 ILE A 37 14.872 -25.455 -51.552 1.00 16.09 C ATOM 512 CG2 ILE A 37 14.871 -23.778 -53.437 1.00 16.37 C ATOM 513 CD1 ILE A 37 15.291 -26.680 -52.357 1.00 16.44 C ATOM 514 HA ILE A 37 14.350 -22.940 -50.801 1.00 0.00 H ATOM 515 HB ILE A 37 13.196 -24.925 -52.787 1.00 0.00 H ATOM 516 HG12 ILE A 37 15.775 -24.963 -51.191 1.00 0.00 H ATOM 517 HG13 ILE A 37 14.281 -25.796 -50.702 1.00 0.00 H ATOM 518 HD11 ILE A 37 14.402 -27.198 -52.717 1.00 0.00 H ATOM 519 HD12 ILE A 37 15.898 -26.365 -53.206 1.00 0.00 H ATOM 520 HD13 ILE A 37 15.872 -27.349 -51.722 1.00 0.00 H ATOM 521 HG21 ILE A 37 14.248 -23.082 -53.998 1.00 0.00 H ATOM 522 HG22 ILE A 37 15.713 -23.242 -52.999 1.00 0.00 H ATOM 523 HG23 ILE A 37 15.241 -24.556 -54.105 1.00 0.00 H ATOM 524 H ILE A 37 11.675 -24.329 -50.746 1.00 0.00 H ATOM 525 N GLN A 38 13.491 -21.033 -52.098 1.00 16.16 N ATOM 526 CA GLN A 38 13.020 -19.835 -52.786 1.00 16.45 C ATOM 527 C GLN A 38 13.854 -19.592 -54.038 1.00 16.98 C ATOM 528 O GLN A 38 15.085 -19.606 -53.982 1.00 17.41 O ATOM 529 CB GLN A 38 13.117 -18.621 -51.852 1.00 16.82 C ATOM 530 CG GLN A 38 12.652 -17.298 -52.458 1.00 17.35 C ATOM 531 CD GLN A 38 12.951 -16.097 -51.572 1.00 18.00 C ATOM 532 OE1 GLN A 38 14.062 -15.939 -51.070 1.00 18.44 O ATOM 533 NE2 GLN A 38 11.959 -15.239 -51.391 1.00 18.26 N ATOM 534 HA GLN A 38 11.979 -19.980 -53.074 1.00 0.00 H ATOM 535 HB2 GLN A 38 12.507 -18.822 -50.972 1.00 0.00 H ATOM 536 HB3 GLN A 38 14.159 -18.508 -51.552 1.00 0.00 H ATOM 537 HG2 GLN A 38 13.156 -17.158 -53.414 1.00 0.00 H ATOM 538 HG3 GLN A 38 11.575 -17.350 -52.620 1.00 0.00 H ATOM 539 HE22 GLN A 38 11.034 -15.412 -51.835 1.00 0.00 H ATOM 540 HE21 GLN A 38 12.104 -14.392 -50.805 1.00 0.00 H ATOM 541 H GLN A 38 14.390 -20.983 -51.578 1.00 0.00 H ATOM 542 N GLN A 39 13.175 -19.383 -55.164 1.00 17.11 N ATOM 543 CA GLN A 39 13.833 -18.989 -56.408 1.00 17.80 C ATOM 544 C GLN A 39 13.186 -17.725 -56.968 1.00 18.30 C ATOM 545 O GLN A 39 12.049 -17.754 -57.444 1.00 18.14 O ATOM 546 CB GLN A 39 13.806 -20.124 -57.442 1.00 17.78 C ATOM 547 CG GLN A 39 14.649 -19.841 -58.685 1.00 18.68 C ATOM 548 CD GLN A 39 14.668 -20.986 -59.685 1.00 18.85 C ATOM 549 OE1 GLN A 39 13.745 -21.798 -59.744 1.00 18.41 O ATOM 550 NE2 GLN A 39 15.725 -21.045 -60.488 1.00 19.69 N ATOM 551 HA GLN A 39 14.879 -18.777 -56.186 1.00 0.00 H ATOM 552 HB2 GLN A 39 14.183 -21.030 -56.969 1.00 0.00 H ATOM 553 HB3 GLN A 39 12.774 -20.281 -57.754 1.00 0.00 H ATOM 554 HG2 GLN A 39 14.246 -18.958 -59.181 1.00 0.00 H ATOM 555 HG3 GLN A 39 15.673 -19.643 -58.369 1.00 0.00 H ATOM 556 HE22 GLN A 39 16.482 -20.337 -60.403 1.00 0.00 H ATOM 557 HE21 GLN A 39 15.795 -21.799 -61.201 1.00 0.00 H ATOM 558 H GLN A 39 12.142 -19.504 -55.158 1.00 0.00 H ATOM 559 N LEU A 40 13.919 -16.617 -56.888 1.00 19.06 N ATOM 560 CA LEU A 40 13.468 -15.334 -57.417 1.00 19.82 C ATOM 561 C LEU A 40 13.567 -15.331 -58.945 1.00 20.46 C ATOM 562 O LEU A 40 14.399 -16.048 -59.509 1.00 20.61 O ATOM 563 CB LEU A 40 14.301 -14.184 -56.834 1.00 20.70 C ATOM 564 CG LEU A 40 14.474 -14.009 -55.319 1.00 20.47 C ATOM 565 CD1 LEU A 40 15.327 -12.777 -55.037 1.00 21.75 C ATOM 566 CD2 LEU A 40 13.145 -13.917 -54.574 1.00 19.87 C ATOM 567 HA LEU A 40 12.427 -15.189 -57.127 1.00 0.00 H ATOM 568 HB2 LEU A 40 15.304 -14.289 -57.249 1.00 0.00 H ATOM 569 HB3 LEU A 40 13.852 -13.261 -57.201 1.00 0.00 H ATOM 570 HG LEU A 40 14.976 -14.902 -54.947 1.00 0.00 H ATOM 571 HD21 LEU A 40 12.581 -13.061 -54.945 1.00 0.00 H ATOM 572 HD22 LEU A 40 12.573 -14.830 -54.739 1.00 0.00 H ATOM 573 HD23 LEU A 40 13.335 -13.794 -53.508 1.00 0.00 H ATOM 574 HD11 LEU A 40 16.306 -12.900 -55.501 1.00 0.00 H ATOM 575 HD12 LEU A 40 14.837 -11.895 -55.449 1.00 0.00 H ATOM 576 HD13 LEU A 40 15.446 -12.658 -53.960 1.00 0.00 H ATOM 577 H LEU A 40 14.851 -16.668 -56.430 1.00 0.00 H ATOM 578 N PRO A 41 12.714 -14.534 -59.621 1.00 20.97 N ATOM 579 CA PRO A 41 12.776 -14.406 -61.072 1.00 21.80 C ATOM 580 C PRO A 41 14.184 -14.079 -61.560 1.00 22.82 C ATOM 581 O PRO A 41 14.755 -13.057 -61.171 1.00 23.60 O ATOM 582 CB PRO A 41 11.835 -13.234 -61.354 1.00 22.48 C ATOM 583 CG PRO A 41 10.828 -13.319 -60.281 1.00 21.62 C ATOM 584 CD PRO A 41 11.582 -13.772 -59.061 1.00 20.91 C ATOM 585 HA PRO A 41 12.502 -15.330 -61.580 1.00 0.00 H ATOM 586 HD3 PRO A 41 11.935 -12.919 -58.481 1.00 0.00 H ATOM 587 HD2 PRO A 41 10.959 -14.406 -58.430 1.00 0.00 H ATOM 588 HG3 PRO A 41 10.053 -14.040 -60.541 1.00 0.00 H ATOM 589 HG2 PRO A 41 10.372 -12.344 -60.108 1.00 0.00 H ATOM 590 HB2 PRO A 41 12.371 -12.286 -61.308 1.00 0.00 H ATOM 591 HB3 PRO A 41 11.368 -13.339 -62.333 1.00 0.00 H ATOM 592 N GLY A 42 14.738 -14.964 -62.384 1.00 22.96 N ATOM 593 CA GLY A 42 16.050 -14.752 -62.985 1.00 24.13 C ATOM 594 C GLY A 42 17.223 -15.159 -62.119 1.00 23.99 C ATOM 595 O GLY A 42 18.350 -15.250 -62.604 1.00 24.96 O ATOM 596 HA3 GLY A 42 16.150 -13.691 -63.214 1.00 0.00 H ATOM 597 HA2 GLY A 42 16.096 -15.328 -63.909 1.00 0.00 H ATOM 598 H GLY A 42 14.218 -15.837 -62.607 1.00 0.00 H ATOM 599 N ARG A 43 16.964 -15.414 -60.841 1.00 22.94 N ATOM 600 CA ARG A 43 18.034 -15.741 -59.906 1.00 22.90 C ATOM 601 C ARG A 43 18.119 -17.242 -59.641 1.00 21.97 C ATOM 602 O ARG A 43 17.165 -17.982 -59.890 1.00 21.16 O ATOM 603 CB ARG A 43 17.863 -14.968 -58.590 1.00 22.69 C ATOM 604 CG ARG A 43 17.533 -13.464 -58.736 1.00 23.64 C ATOM 605 CD ARG A 43 18.550 -12.692 -59.573 1.00 25.33 C ATOM 606 NE ARG A 43 19.884 -12.706 -58.976 1.00 26.04 N ATOM 607 CZ ARG A 43 20.399 -11.721 -58.245 1.00 27.04 C ATOM 608 NH1 ARG A 43 19.700 -10.613 -58.009 1.00 27.48 N ATOM 609 NH2 ARG A 43 21.626 -11.841 -57.751 1.00 27.80 N ATOM 610 HA ARG A 43 18.973 -15.437 -60.369 1.00 0.00 H ATOM 611 HB2 ARG A 43 17.054 -15.436 -58.029 1.00 0.00 H ATOM 612 HB3 ARG A 43 18.792 -15.055 -58.027 1.00 0.00 H ATOM 613 HG2 ARG A 43 16.555 -13.370 -59.209 1.00 0.00 H ATOM 614 HG3 ARG A 43 17.498 -13.021 -57.741 1.00 0.00 H ATOM 615 HD2 ARG A 43 18.217 -11.658 -59.664 1.00 0.00 H ATOM 616 HD3 ARG A 43 18.604 -13.143 -60.564 1.00 0.00 H ATOM 617 HE ARG A 43 20.474 -13.548 -59.134 1.00 0.00 H ATOM 618 HH12 ARG A 43 20.113 -9.850 -57.436 1.00 0.00 H ATOM 619 HH11 ARG A 43 18.741 -10.511 -58.398 1.00 0.00 H ATOM 620 HH22 ARG A 43 22.034 -11.074 -57.179 1.00 0.00 H ATOM 621 HH21 ARG A 43 22.179 -12.702 -57.936 1.00 0.00 H ATOM 622 H ARG A 43 15.981 -15.380 -60.502 1.00 0.00 H ATOM 623 N ALA A 44 19.278 -17.678 -59.151 1.00 22.28 N ATOM 624 CA ALA A 44 19.480 -19.051 -58.695 1.00 21.59 C ATOM 625 C ALA A 44 18.633 -19.327 -57.451 1.00 20.38 C ATOM 626 O ALA A 44 18.344 -18.405 -56.684 1.00 20.31 O ATOM 627 CB ALA A 44 20.951 -19.288 -58.394 1.00 22.45 C ATOM 628 HA ALA A 44 19.168 -19.734 -59.485 1.00 0.00 H ATOM 629 HB1 ALA A 44 21.537 -19.120 -59.297 1.00 0.00 H ATOM 630 HB2 ALA A 44 21.277 -18.599 -57.615 1.00 0.00 H ATOM 631 HB3 ALA A 44 21.090 -20.314 -58.055 1.00 0.00 H ATOM 632 H ALA A 44 20.074 -17.012 -59.090 1.00 0.00 H ATOM 633 N PRO A 45 18.223 -20.592 -57.244 1.00 19.61 N ATOM 634 CA PRO A 45 17.462 -20.902 -56.037 1.00 18.66 C ATOM 635 C PRO A 45 18.358 -20.964 -54.797 1.00 18.80 C ATOM 636 O PRO A 45 19.529 -21.352 -54.885 1.00 19.45 O ATOM 637 CB PRO A 45 16.868 -22.274 -56.345 1.00 18.15 C ATOM 638 CG PRO A 45 17.837 -22.889 -57.273 1.00 18.90 C ATOM 639 CD PRO A 45 18.400 -21.778 -58.100 1.00 19.76 C ATOM 640 HA PRO A 45 16.713 -20.143 -55.809 1.00 0.00 H ATOM 641 HD3 PRO A 45 19.454 -21.949 -58.317 1.00 0.00 H ATOM 642 HD2 PRO A 45 17.850 -21.670 -59.035 1.00 0.00 H ATOM 643 HG3 PRO A 45 17.337 -23.617 -57.911 1.00 0.00 H ATOM 644 HG2 PRO A 45 18.632 -23.383 -56.714 1.00 0.00 H ATOM 645 HB2 PRO A 45 16.773 -22.867 -55.436 1.00 0.00 H ATOM 646 HB3 PRO A 45 15.890 -22.175 -56.816 1.00 0.00 H ATOM 647 N GLU A 46 17.801 -20.564 -53.658 1.00 18.34 N ATOM 648 CA GLU A 46 18.538 -20.532 -52.401 1.00 18.57 C ATOM 649 C GLU A 46 17.714 -21.202 -51.315 1.00 17.78 C ATOM 650 O GLU A 46 16.486 -21.292 -51.427 1.00 17.15 O ATOM 651 CB GLU A 46 18.850 -19.088 -51.983 1.00 19.26 C ATOM 652 CG GLU A 46 19.035 -18.097 -53.134 1.00 20.00 C ATOM 653 CD GLU A 46 20.354 -18.250 -53.881 1.00 20.99 C ATOM 654 OE1 GLU A 46 21.130 -19.181 -53.580 1.00 21.09 O ATOM 655 OE2 GLU A 46 20.615 -17.422 -54.783 1.00 21.83 O ATOM 656 HA GLU A 46 19.479 -21.064 -52.540 1.00 0.00 H ATOM 657 HB2 GLU A 46 18.028 -18.732 -51.362 1.00 0.00 H ATOM 658 HB3 GLU A 46 19.769 -19.098 -51.397 1.00 0.00 H ATOM 659 HG2 GLU A 46 18.221 -18.241 -53.844 1.00 0.00 H ATOM 660 HG3 GLU A 46 18.987 -17.087 -52.727 1.00 0.00 H ATOM 661 H GLU A 46 16.805 -20.264 -53.664 1.00 0.00 H ATOM 662 N LEU A 47 18.386 -21.664 -50.264 1.00 17.98 N ATOM 663 CA LEU A 47 17.689 -22.224 -49.117 1.00 17.46 C ATOM 664 C LEU A 47 16.926 -21.115 -48.398 1.00 17.40 C ATOM 665 O LEU A 47 17.502 -20.090 -48.032 1.00 18.06 O ATOM 666 CB LEU A 47 18.663 -22.935 -48.170 1.00 17.91 C ATOM 667 CG LEU A 47 18.094 -23.766 -47.010 1.00 17.59 C ATOM 668 CD1 LEU A 47 17.249 -24.952 -47.489 1.00 17.03 C ATOM 669 CD2 LEU A 47 19.222 -24.249 -46.105 1.00 18.31 C ATOM 670 HA LEU A 47 16.978 -22.974 -49.464 1.00 0.00 H ATOM 671 HB2 LEU A 47 19.269 -23.606 -48.778 1.00 0.00 H ATOM 672 HB3 LEU A 47 19.302 -22.168 -47.732 1.00 0.00 H ATOM 673 HG LEU A 47 17.429 -23.112 -46.446 1.00 0.00 H ATOM 674 HD21 LEU A 47 19.910 -24.866 -46.682 1.00 0.00 H ATOM 675 HD22 LEU A 47 19.755 -23.389 -45.700 1.00 0.00 H ATOM 676 HD23 LEU A 47 18.804 -24.836 -45.288 1.00 0.00 H ATOM 677 HD11 LEU A 47 16.410 -24.584 -48.079 1.00 0.00 H ATOM 678 HD12 LEU A 47 17.864 -25.611 -48.102 1.00 0.00 H ATOM 679 HD13 LEU A 47 16.874 -25.502 -46.626 1.00 0.00 H ATOM 680 H LEU A 47 19.425 -21.624 -50.263 1.00 0.00 H ATOM 681 N LEU A 48 15.623 -21.315 -48.231 1.00 16.78 N ATOM 682 CA LEU A 48 14.792 -20.364 -47.507 1.00 16.83 C ATOM 683 C LEU A 48 14.613 -20.820 -46.065 1.00 16.87 C ATOM 684 O LEU A 48 14.993 -20.110 -45.133 1.00 17.45 O ATOM 685 CB LEU A 48 13.433 -20.195 -48.193 1.00 16.38 C ATOM 686 CG LEU A 48 12.515 -19.086 -47.668 1.00 16.61 C ATOM 687 CD1 LEU A 48 12.945 -17.716 -48.182 1.00 17.25 C ATOM 688 CD2 LEU A 48 11.080 -19.371 -48.064 1.00 16.21 C ATOM 689 HA LEU A 48 15.291 -19.395 -47.509 1.00 0.00 H ATOM 690 HB2 LEU A 48 13.621 -19.993 -49.248 1.00 0.00 H ATOM 691 HB3 LEU A 48 12.896 -21.139 -48.095 1.00 0.00 H ATOM 692 HG LEU A 48 12.591 -19.070 -46.581 1.00 0.00 H ATOM 693 HD21 LEU A 48 11.006 -19.414 -49.151 1.00 0.00 H ATOM 694 HD22 LEU A 48 10.770 -20.326 -47.639 1.00 0.00 H ATOM 695 HD23 LEU A 48 10.436 -18.577 -47.686 1.00 0.00 H ATOM 696 HD11 LEU A 48 13.963 -17.508 -47.851 1.00 0.00 H ATOM 697 HD12 LEU A 48 12.907 -17.710 -49.271 1.00 0.00 H ATOM 698 HD13 LEU A 48 12.271 -16.954 -47.789 1.00 0.00 H ATOM 699 H LEU A 48 15.186 -22.172 -48.627 1.00 0.00 H ATOM 700 N MET A 49 14.038 -22.010 -45.896 1.00 16.43 N ATOM 701 CA MET A 49 13.766 -22.578 -44.581 1.00 16.58 C ATOM 702 C MET A 49 14.206 -24.038 -44.504 1.00 16.53 C ATOM 703 O MET A 49 14.212 -24.750 -45.510 1.00 16.25 O ATOM 704 CB MET A 49 12.280 -22.443 -44.226 1.00 16.39 C ATOM 705 CG MET A 49 11.793 -20.998 -44.148 1.00 16.65 C ATOM 706 SD MET A 49 10.348 -20.747 -43.107 1.00 16.94 S ATOM 707 CE MET A 49 11.049 -20.923 -41.470 1.00 17.62 C ATOM 708 HA MET A 49 14.348 -22.015 -43.851 1.00 0.00 H ATOM 709 HB2 MET A 49 11.696 -22.962 -44.986 1.00 0.00 H ATOM 710 HB3 MET A 49 12.114 -22.915 -43.257 1.00 0.00 H ATOM 711 HG2 MET A 49 11.546 -20.668 -45.157 1.00 0.00 H ATOM 712 HG3 MET A 49 12.605 -20.386 -43.755 1.00 0.00 H ATOM 713 HE1 MET A 49 11.486 -21.916 -41.368 1.00 0.00 H ATOM 714 HE2 MET A 49 11.822 -20.168 -41.324 1.00 0.00 H ATOM 715 HE3 MET A 49 10.265 -20.791 -40.724 1.00 0.00 H ATOM 716 H MET A 49 13.772 -22.558 -46.739 1.00 0.00 H ATOM 717 N TYR A 50 14.582 -24.472 -43.303 1.00 16.98 N ATOM 718 CA TYR A 50 15.068 -25.829 -43.079 1.00 17.18 C ATOM 719 C TYR A 50 14.616 -26.345 -41.719 1.00 17.59 C ATOM 720 O TYR A 50 14.373 -25.557 -40.802 1.00 17.89 O ATOM 721 CB TYR A 50 16.597 -25.879 -43.195 1.00 17.68 C ATOM 722 CG TYR A 50 17.359 -25.325 -42.006 1.00 18.42 C ATOM 723 CD1 TYR A 50 17.914 -26.178 -41.054 1.00 19.07 C ATOM 724 CD2 TYR A 50 17.541 -23.950 -41.843 1.00 18.68 C ATOM 725 CE1 TYR A 50 18.619 -25.677 -39.960 1.00 19.92 C ATOM 726 CE2 TYR A 50 18.245 -23.439 -40.751 1.00 19.57 C ATOM 727 CZ TYR A 50 18.782 -24.310 -39.817 1.00 20.18 C ATOM 728 OH TYR A 50 19.478 -23.817 -38.737 1.00 21.22 O ATOM 729 HA TYR A 50 14.644 -26.476 -43.847 1.00 0.00 H ATOM 730 HB3 TYR A 50 16.886 -25.307 -44.076 1.00 0.00 H ATOM 731 HB2 TYR A 50 16.890 -26.920 -43.327 1.00 0.00 H ATOM 732 HD2 TYR A 50 17.126 -23.264 -42.581 1.00 0.00 H ATOM 733 HE2 TYR A 50 18.371 -22.363 -40.634 1.00 0.00 H ATOM 734 HE1 TYR A 50 19.040 -26.359 -39.221 1.00 0.00 H ATOM 735 HD1 TYR A 50 17.795 -27.256 -41.166 1.00 0.00 H ATOM 736 HH TYR A 50 19.790 -24.570 -38.175 1.00 0.00 H ATOM 737 H TYR A 50 14.527 -23.820 -42.495 1.00 0.00 H ATOM 738 N ASP A 51 14.511 -27.669 -41.599 1.00 17.76 N ATOM 739 CA ASP A 51 14.062 -28.319 -40.369 1.00 18.33 C ATOM 740 C ASP A 51 12.666 -27.822 -39.972 1.00 18.20 C ATOM 741 O ASP A 51 12.416 -27.474 -38.812 1.00 18.73 O ATOM 742 CB ASP A 51 15.089 -28.111 -39.243 1.00 19.09 C ATOM 743 CG ASP A 51 14.803 -28.960 -38.011 1.00 19.88 C ATOM 744 OD1 ASP A 51 14.071 -29.969 -38.116 1.00 19.94 O ATOM 745 OD2 ASP A 51 15.319 -28.611 -36.929 1.00 20.60 O ATOM 746 HA ASP A 51 13.985 -29.392 -40.546 1.00 0.00 H ATOM 747 HB2 ASP A 51 16.077 -28.371 -39.622 1.00 0.00 H ATOM 748 HB3 ASP A 51 15.077 -27.061 -38.952 1.00 0.00 H ATOM 749 H ASP A 51 14.759 -28.264 -42.415 1.00 0.00 H ATOM 750 N ASP A 52 11.775 -27.782 -40.964 1.00 17.64 N ATOM 751 CA ASP A 52 10.366 -27.378 -40.806 1.00 17.61 C ATOM 752 C ASP A 52 10.139 -25.889 -40.526 1.00 17.56 C ATOM 753 O ASP A 52 9.330 -25.250 -41.204 1.00 17.24 O ATOM 754 CB ASP A 52 9.642 -28.235 -39.756 1.00 18.35 C ATOM 755 CG ASP A 52 9.715 -29.723 -40.056 1.00 18.63 C ATOM 756 OD1 ASP A 52 9.615 -30.101 -41.243 1.00 18.23 O ATOM 757 OD2 ASP A 52 9.867 -30.517 -39.101 1.00 19.41 O ATOM 758 HA ASP A 52 9.930 -27.559 -41.789 1.00 0.00 H ATOM 759 HB2 ASP A 52 10.099 -28.053 -38.783 1.00 0.00 H ATOM 760 HB3 ASP A 52 8.594 -27.937 -39.726 1.00 0.00 H ATOM 761 H ASP A 52 12.097 -28.055 -41.915 1.00 0.00 H ATOM 762 N ASP A 53 10.853 -25.342 -39.541 1.00 18.03 N ATOM 763 CA ASP A 53 10.548 -24.006 -39.018 1.00 18.34 C ATOM 764 C ASP A 53 11.742 -23.062 -38.806 1.00 18.63 C ATOM 765 O ASP A 53 11.563 -21.945 -38.317 1.00 19.10 O ATOM 766 CB ASP A 53 9.738 -24.127 -37.717 1.00 19.13 C ATOM 767 CG ASP A 53 10.368 -25.085 -36.710 1.00 19.76 C ATOM 768 OD1 ASP A 53 11.597 -25.031 -36.492 1.00 19.94 O ATOM 769 OD2 ASP A 53 9.621 -25.894 -36.124 1.00 20.23 O ATOM 770 HA ASP A 53 9.969 -23.532 -39.811 1.00 0.00 H ATOM 771 HB2 ASP A 53 9.665 -23.140 -37.260 1.00 0.00 H ATOM 772 HB3 ASP A 53 8.739 -24.487 -37.962 1.00 0.00 H ATOM 773 H ASP A 53 11.646 -25.877 -39.133 1.00 0.00 H ATOM 774 N LEU A 54 12.945 -23.499 -39.175 1.00 18.52 N ATOM 775 CA LEU A 54 14.151 -22.692 -38.958 1.00 19.04 C ATOM 776 C LEU A 54 14.607 -21.964 -40.219 1.00 18.64 C ATOM 777 O LEU A 54 14.666 -22.552 -41.302 1.00 18.02 O ATOM 778 CB LEU A 54 15.294 -23.546 -38.393 1.00 19.55 C ATOM 779 CG LEU A 54 15.063 -24.260 -37.055 1.00 20.23 C ATOM 780 CD1 LEU A 54 16.171 -25.273 -36.799 1.00 20.68 C ATOM 781 CD2 LEU A 54 14.956 -23.272 -35.896 1.00 21.13 C ATOM 782 HA LEU A 54 13.883 -21.931 -38.225 1.00 0.00 H ATOM 783 HB2 LEU A 54 15.525 -24.311 -39.134 1.00 0.00 H ATOM 784 HB3 LEU A 54 16.157 -22.892 -38.267 1.00 0.00 H ATOM 785 HG LEU A 54 14.111 -24.787 -37.120 1.00 0.00 H ATOM 786 HD21 LEU A 54 15.880 -22.698 -35.823 1.00 0.00 H ATOM 787 HD22 LEU A 54 14.119 -22.596 -36.073 1.00 0.00 H ATOM 788 HD23 LEU A 54 14.793 -23.819 -34.968 1.00 0.00 H ATOM 789 HD11 LEU A 54 16.179 -26.011 -37.601 1.00 0.00 H ATOM 790 HD12 LEU A 54 17.132 -24.759 -36.768 1.00 0.00 H ATOM 791 HD13 LEU A 54 15.993 -25.771 -35.846 1.00 0.00 H ATOM 792 H LEU A 54 13.031 -24.432 -39.626 1.00 0.00 H ATOM 793 N LEU A 55 14.929 -20.681 -40.061 1.00 19.20 N ATOM 794 CA LEU A 55 15.358 -19.829 -41.170 1.00 19.12 C ATOM 795 C LEU A 55 16.807 -20.086 -41.563 1.00 19.45 C ATOM 796 O LEU A 55 17.677 -20.232 -40.701 1.00 20.21 O ATOM 797 CB LEU A 55 15.202 -18.348 -40.806 1.00 19.89 C ATOM 798 CG LEU A 55 13.829 -17.747 -40.498 1.00 19.89 C ATOM 799 CD1 LEU A 55 14.000 -16.456 -39.713 1.00 21.10 C ATOM 800 CD2 LEU A 55 13.027 -17.504 -41.768 1.00 19.19 C ATOM 801 HA LEU A 55 14.719 -20.076 -42.018 1.00 0.00 H ATOM 802 HB2 LEU A 55 15.818 -18.180 -39.922 1.00 0.00 H ATOM 803 HB3 LEU A 55 15.607 -17.780 -41.643 1.00 0.00 H ATOM 804 HG LEU A 55 13.269 -18.462 -39.895 1.00 0.00 H ATOM 805 HD21 LEU A 55 13.570 -16.812 -42.412 1.00 0.00 H ATOM 806 HD22 LEU A 55 12.880 -18.450 -42.290 1.00 0.00 H ATOM 807 HD23 LEU A 55 12.058 -17.077 -41.508 1.00 0.00 H ATOM 808 HD11 LEU A 55 14.521 -16.666 -38.779 1.00 0.00 H ATOM 809 HD12 LEU A 55 14.581 -15.748 -40.303 1.00 0.00 H ATOM 810 HD13 LEU A 55 13.020 -16.032 -39.496 1.00 0.00 H ATOM 811 H LEU A 55 14.873 -20.267 -39.108 1.00 0.00 H ATOM 812 N ALA A 56 17.058 -20.127 -42.869 1.00 19.02 N ATOM 813 CA ALA A 56 18.419 -20.192 -43.401 1.00 19.53 C ATOM 814 C ALA A 56 19.185 -18.900 -43.089 1.00 20.67 C ATOM 815 O ALA A 56 18.576 -17.829 -42.988 1.00 20.89 O ATOM 816 CB ALA A 56 18.388 -20.447 -44.899 1.00 18.97 C ATOM 817 HA ALA A 56 18.939 -21.020 -42.919 1.00 0.00 H ATOM 818 HB1 ALA A 56 17.883 -21.393 -45.095 1.00 0.00 H ATOM 819 HB2 ALA A 56 17.850 -19.638 -45.393 1.00 0.00 H ATOM 820 HB3 ALA A 56 19.408 -20.493 -45.280 1.00 0.00 H ATOM 821 H ALA A 56 16.259 -20.112 -43.535 1.00 0.00 H ATOM 822 N PRO A 57 20.519 -18.997 -42.921 1.00 21.58 N ATOM 823 CA PRO A 57 21.335 -17.818 -42.614 1.00 22.95 C ATOM 824 C PRO A 57 21.140 -16.690 -43.625 1.00 23.14 C ATOM 825 O PRO A 57 21.439 -16.861 -44.806 1.00 22.91 O ATOM 826 CB PRO A 57 22.765 -18.357 -42.690 1.00 23.79 C ATOM 827 CG PRO A 57 22.638 -19.799 -42.378 1.00 23.05 C ATOM 828 CD PRO A 57 21.329 -20.229 -42.958 1.00 21.60 C ATOM 829 HA PRO A 57 21.073 -17.381 -41.650 1.00 0.00 H ATOM 830 HD3 PRO A 57 21.453 -20.584 -43.981 1.00 0.00 H ATOM 831 HD2 PRO A 57 20.874 -21.014 -42.355 1.00 0.00 H ATOM 832 HG3 PRO A 57 22.645 -19.956 -41.299 1.00 0.00 H ATOM 833 HG2 PRO A 57 23.456 -20.359 -42.831 1.00 0.00 H ATOM 834 HB2 PRO A 57 23.178 -18.214 -43.689 1.00 0.00 H ATOM 835 HB3 PRO A 57 23.403 -17.860 -41.960 1.00 0.00 H ATOM 836 N GLY A 58 20.625 -15.556 -43.155 1.00 23.70 N ATOM 837 CA GLY A 58 20.434 -14.371 -43.993 1.00 24.18 C ATOM 838 C GLY A 58 19.008 -14.114 -44.443 1.00 23.22 C ATOM 839 O GLY A 58 18.714 -13.064 -45.021 1.00 23.75 O ATOM 840 HA3 GLY A 58 21.052 -14.485 -44.883 1.00 0.00 H ATOM 841 HA2 GLY A 58 20.770 -13.502 -43.428 1.00 0.00 H ATOM 842 H GLY A 58 20.348 -15.510 -42.154 1.00 0.00 H ATOM 843 N VAL A 59 18.120 -15.070 -44.180 1.00 21.99 N ATOM 844 CA VAL A 59 16.730 -14.982 -44.635 1.00 21.13 C ATOM 845 C VAL A 59 15.905 -14.046 -43.747 1.00 21.72 C ATOM 846 O VAL A 59 16.172 -13.912 -42.550 1.00 22.41 O ATOM 847 CB VAL A 59 16.079 -16.387 -44.741 1.00 19.83 C ATOM 848 CG1 VAL A 59 14.584 -16.291 -45.041 1.00 19.17 C ATOM 849 CG2 VAL A 59 16.775 -17.210 -45.815 1.00 19.39 C ATOM 850 HA VAL A 59 16.742 -14.551 -45.636 1.00 0.00 H ATOM 851 HB VAL A 59 16.197 -16.881 -43.777 1.00 0.00 H ATOM 852 HG11 VAL A 59 14.089 -15.740 -44.241 1.00 0.00 H ATOM 853 HG12 VAL A 59 14.437 -15.770 -45.987 1.00 0.00 H ATOM 854 HG13 VAL A 59 14.163 -17.294 -45.108 1.00 0.00 H ATOM 855 HG21 VAL A 59 16.686 -16.702 -46.775 1.00 0.00 H ATOM 856 HG22 VAL A 59 17.828 -17.323 -45.559 1.00 0.00 H ATOM 857 HG23 VAL A 59 16.308 -18.193 -45.878 1.00 0.00 H ATOM 858 H VAL A 59 18.421 -15.903 -43.636 1.00 0.00 H ATOM 859 N SER A 60 14.917 -13.391 -44.354 1.00 21.60 N ATOM 860 CA SER A 60 14.021 -12.474 -43.655 1.00 22.27 C ATOM 861 C SER A 60 13.183 -13.177 -42.590 1.00 21.80 C ATOM 862 O SER A 60 12.695 -14.293 -42.798 1.00 20.70 O ATOM 863 CB SER A 60 13.102 -11.773 -44.653 1.00 22.23 C ATOM 864 OG SER A 60 12.135 -10.990 -43.980 1.00 22.91 O ATOM 865 HA SER A 60 14.647 -11.740 -43.148 1.00 0.00 H ATOM 866 HB2 SER A 60 12.595 -12.523 -45.261 1.00 0.00 H ATOM 867 HB3 SER A 60 13.699 -11.128 -45.297 1.00 0.00 H ATOM 868 HG SER A 60 12.591 -10.305 -43.430 1.00 0.00 H ATOM 869 H SER A 60 14.777 -13.540 -45.374 1.00 0.00 H ATOM 870 N ASP A 61 13.013 -12.496 -41.459 1.00 22.85 N ATOM 871 CA ASP A 61 12.244 -13.001 -40.318 1.00 22.79 C ATOM 872 C ASP A 61 10.739 -13.112 -40.605 1.00 22.26 C ATOM 873 O ASP A 61 9.984 -13.665 -39.799 1.00 22.18 O ATOM 874 CB ASP A 61 12.468 -12.096 -39.109 1.00 24.35 C ATOM 875 CG ASP A 61 12.088 -10.657 -39.388 1.00 25.46 C ATOM 876 OD1 ASP A 61 12.953 -9.882 -39.852 1.00 26.23 O ATOM 877 OD2 ASP A 61 10.919 -10.298 -39.140 1.00 25.72 O ATOM 878 HA ASP A 61 12.604 -14.010 -40.116 1.00 0.00 H ATOM 879 HB2 ASP A 61 11.864 -12.463 -38.279 1.00 0.00 H ATOM 880 HB3 ASP A 61 13.522 -12.133 -38.834 1.00 0.00 H ATOM 881 H ASP A 61 13.449 -11.555 -41.381 1.00 0.00 H ATOM 882 N ARG A 62 10.319 -12.581 -41.752 1.00 22.05 N ATOM 883 CA ARG A 62 8.914 -12.573 -42.162 1.00 21.75 C ATOM 884 C ARG A 62 8.414 -13.963 -42.561 1.00 20.48 C ATOM 885 O ARG A 62 7.206 -14.202 -42.626 1.00 20.34 O ATOM 886 CB ARG A 62 8.699 -11.568 -43.298 1.00 22.11 C ATOM 887 CG ARG A 62 9.053 -10.124 -42.919 1.00 23.65 C ATOM 888 CD ARG A 62 8.570 -9.104 -43.948 1.00 24.24 C ATOM 889 NE ARG A 62 9.333 -9.137 -45.197 1.00 23.83 N ATOM 890 CZ ARG A 62 8.903 -9.691 -46.329 1.00 22.89 C ATOM 891 NH1 ARG A 62 7.707 -10.267 -46.383 1.00 22.26 N ATOM 892 NH2 ARG A 62 9.670 -9.670 -47.412 1.00 22.74 N ATOM 893 HA ARG A 62 8.325 -12.265 -41.298 1.00 0.00 H ATOM 894 HB2 ARG A 62 9.321 -11.865 -44.143 1.00 0.00 H ATOM 895 HB3 ARG A 62 7.650 -11.600 -43.592 1.00 0.00 H ATOM 896 HG2 ARG A 62 8.593 -9.894 -41.958 1.00 0.00 H ATOM 897 HG3 ARG A 62 10.136 -10.043 -42.831 1.00 0.00 H ATOM 898 HD2 ARG A 62 8.657 -8.107 -43.515 1.00 0.00 H ATOM 899 HD3 ARG A 62 7.524 -9.310 -44.175 1.00 0.00 H ATOM 900 HE ARG A 62 10.276 -8.698 -45.200 1.00 0.00 H ATOM 901 HH12 ARG A 62 7.377 -10.698 -47.270 1.00 0.00 H ATOM 902 HH11 ARG A 62 7.101 -10.287 -45.538 1.00 0.00 H ATOM 903 HH22 ARG A 62 9.334 -10.103 -48.296 1.00 0.00 H ATOM 904 HH21 ARG A 62 10.607 -9.221 -47.377 1.00 0.00 H ATOM 905 H ARG A 62 11.023 -12.152 -42.386 1.00 0.00 H ATOM 906 N PHE A 63 9.351 -14.874 -42.817 1.00 19.76 N ATOM 907 CA PHE A 63 9.027 -16.257 -43.143 1.00 18.76 C ATOM 908 C PHE A 63 8.924 -17.108 -41.880 1.00 18.84 C ATOM 909 O PHE A 63 9.762 -17.013 -40.979 1.00 19.34 O ATOM 910 CB PHE A 63 10.077 -16.860 -44.081 1.00 18.13 C ATOM 911 CG PHE A 63 10.152 -16.196 -45.427 1.00 18.09 C ATOM 912 CD1 PHE A 63 11.025 -15.132 -45.648 1.00 18.79 C ATOM 913 CD2 PHE A 63 9.363 -16.643 -46.482 1.00 17.53 C ATOM 914 CE1 PHE A 63 11.101 -14.515 -46.897 1.00 18.93 C ATOM 915 CE2 PHE A 63 9.436 -16.037 -47.736 1.00 17.63 C ATOM 916 CZ PHE A 63 10.306 -14.970 -47.943 1.00 18.32 C ATOM 917 HA PHE A 63 8.061 -16.254 -43.647 1.00 0.00 H ATOM 918 HB2 PHE A 63 11.053 -16.775 -43.602 1.00 0.00 H ATOM 919 HB3 PHE A 63 9.838 -17.913 -44.231 1.00 0.00 H ATOM 920 HD2 PHE A 63 8.679 -17.477 -46.327 1.00 0.00 H ATOM 921 HE2 PHE A 63 8.812 -16.399 -48.554 1.00 0.00 H ATOM 922 HZ PHE A 63 10.364 -14.493 -48.921 1.00 0.00 H ATOM 923 HE1 PHE A 63 11.782 -13.678 -47.052 1.00 0.00 H ATOM 924 HD1 PHE A 63 11.657 -14.777 -44.834 1.00 0.00 H ATOM 925 H PHE A 63 10.350 -14.588 -42.783 1.00 0.00 H ATOM 926 N SER A 64 7.882 -17.931 -41.824 1.00 18.52 N ATOM 927 CA SER A 64 7.725 -18.925 -40.767 1.00 18.64 C ATOM 928 C SER A 64 7.282 -20.245 -41.382 1.00 17.96 C ATOM 929 O SER A 64 6.719 -20.264 -42.479 1.00 17.55 O ATOM 930 CB SER A 64 6.735 -18.447 -39.698 1.00 19.54 C ATOM 931 OG SER A 64 5.543 -17.945 -40.276 1.00 19.67 O ATOM 932 HA SER A 64 8.683 -19.070 -40.269 1.00 0.00 H ATOM 933 HB2 SER A 64 7.203 -17.657 -39.110 1.00 0.00 H ATOM 934 HB3 SER A 64 6.487 -19.285 -39.046 1.00 0.00 H ATOM 935 HG SER A 64 4.930 -17.647 -39.558 1.00 0.00 H ATOM 936 H SER A 64 7.151 -17.864 -42.561 1.00 0.00 H ATOM 937 N GLY A 65 7.555 -21.345 -40.684 1.00 17.99 N ATOM 938 CA GLY A 65 7.228 -22.680 -41.189 1.00 17.58 C ATOM 939 C GLY A 65 6.660 -23.623 -40.147 1.00 18.14 C ATOM 940 O GLY A 65 6.766 -23.373 -38.946 1.00 18.80 O ATOM 941 HA3 GLY A 65 8.138 -23.125 -41.591 1.00 0.00 H ATOM 942 HA2 GLY A 65 6.494 -22.572 -41.988 1.00 0.00 H ATOM 943 H GLY A 65 8.013 -21.254 -39.755 1.00 0.00 H ATOM 944 N SER A 66 6.059 -24.714 -40.619 1.00 18.05 N ATOM 945 CA SER A 66 5.405 -25.703 -39.757 1.00 18.77 C ATOM 946 C SER A 66 5.156 -27.013 -40.505 1.00 18.67 C ATOM 947 O SER A 66 5.021 -27.019 -41.728 1.00 18.15 O ATOM 948 CB SER A 66 4.080 -25.151 -39.220 1.00 19.50 C ATOM 949 OG SER A 66 3.405 -26.112 -38.429 1.00 20.38 O ATOM 950 HA SER A 66 6.074 -25.908 -38.921 1.00 0.00 H ATOM 951 HB2 SER A 66 3.444 -24.873 -40.061 1.00 0.00 H ATOM 952 HB3 SER A 66 4.283 -24.269 -38.612 1.00 0.00 H ATOM 953 HG SER A 66 2.555 -25.727 -38.098 1.00 0.00 H ATOM 954 H SER A 66 6.053 -24.872 -41.647 1.00 0.00 H ATOM 955 N ARG A 67 5.097 -28.115 -39.759 1.00 19.35 N ATOM 956 CA ARG A 67 4.817 -29.440 -40.319 1.00 19.61 C ATOM 957 C ARG A 67 4.010 -30.288 -39.339 1.00 20.82 C ATOM 958 O ARG A 67 4.399 -30.439 -38.179 1.00 21.38 O ATOM 959 CB ARG A 67 6.121 -30.164 -40.686 1.00 19.25 C ATOM 960 CG ARG A 67 5.956 -31.664 -40.989 1.00 19.87 C ATOM 961 CD ARG A 67 7.285 -32.340 -41.316 1.00 19.68 C ATOM 962 NE ARG A 67 8.116 -32.560 -40.133 1.00 20.14 N ATOM 963 CZ ARG A 67 8.471 -33.757 -39.664 1.00 21.01 C ATOM 964 NH1 ARG A 67 9.234 -33.844 -38.581 1.00 21.49 N ATOM 965 NH2 ARG A 67 8.079 -34.869 -40.276 1.00 21.57 N ATOM 966 HA ARG A 67 4.227 -29.299 -41.225 1.00 0.00 H ATOM 967 HB2 ARG A 67 6.541 -29.682 -41.569 1.00 0.00 H ATOM 968 HB3 ARG A 67 6.815 -30.059 -39.852 1.00 0.00 H ATOM 969 HG2 ARG A 67 5.520 -32.152 -40.117 1.00 0.00 H ATOM 970 HG3 ARG A 67 5.286 -31.778 -41.841 1.00 0.00 H ATOM 971 HD2 ARG A 67 7.834 -31.709 -42.015 1.00 0.00 H ATOM 972 HD3 ARG A 67 7.080 -33.304 -41.782 1.00 0.00 H ATOM 973 HE ARG A 67 8.455 -31.721 -39.620 1.00 0.00 H ATOM 974 HH12 ARG A 67 9.512 -34.777 -38.214 1.00 0.00 H ATOM 975 HH11 ARG A 67 9.554 -32.979 -38.100 1.00 0.00 H ATOM 976 HH22 ARG A 67 8.362 -35.797 -39.901 1.00 0.00 H ATOM 977 HH21 ARG A 67 7.489 -34.812 -41.130 1.00 0.00 H ATOM 978 H ARG A 67 5.257 -28.031 -38.735 1.00 0.00 H ATOM 979 N SER A 68 2.891 -30.834 -39.811 1.00 21.39 N ATOM 980 CA SER A 68 2.110 -31.800 -39.035 1.00 22.77 C ATOM 981 C SER A 68 1.582 -32.937 -39.903 1.00 23.32 C ATOM 982 O SER A 68 1.026 -32.704 -40.980 1.00 23.02 O ATOM 983 CB SER A 68 0.954 -31.123 -38.299 1.00 23.56 C ATOM 984 OG SER A 68 0.026 -30.560 -39.207 1.00 23.39 O ATOM 985 HA SER A 68 2.790 -32.226 -38.297 1.00 0.00 H ATOM 986 HB2 SER A 68 1.352 -30.333 -37.662 1.00 0.00 H ATOM 987 HB3 SER A 68 0.444 -31.863 -37.682 1.00 0.00 H ATOM 988 HG SER A 68 -0.343 -31.274 -39.785 1.00 0.00 H ATOM 989 H SER A 68 2.561 -30.566 -40.760 1.00 0.00 H ATOM 990 N GLY A 69 1.752 -34.162 -39.412 1.00 24.32 N ATOM 991 CA GLY A 69 1.333 -35.361 -40.129 1.00 25.17 C ATOM 992 C GLY A 69 2.120 -35.534 -41.410 1.00 24.21 C ATOM 993 O GLY A 69 3.350 -35.544 -41.396 1.00 23.50 O ATOM 994 HA3 GLY A 69 0.273 -35.279 -40.370 1.00 0.00 H ATOM 995 HA2 GLY A 69 1.493 -36.231 -39.492 1.00 0.00 H ATOM 996 H GLY A 69 2.201 -34.269 -38.480 1.00 0.00 H ATOM 997 N THR A 70 1.400 -35.655 -42.519 1.00 24.35 N ATOM 998 CA THR A 70 2.013 -35.788 -43.837 1.00 23.62 C ATOM 999 C THR A 70 2.032 -34.450 -44.577 1.00 22.31 C ATOM 1000 O THR A 70 2.364 -34.390 -45.763 1.00 21.78 O ATOM 1001 CB THR A 70 1.284 -36.848 -44.691 1.00 24.84 C ATOM 1002 OG1 THR A 70 -0.122 -36.566 -44.709 1.00 25.60 O ATOM 1003 CG2 THR A 70 1.509 -38.239 -44.119 1.00 26.22 C ATOM 1004 HA THR A 70 3.041 -36.115 -43.680 1.00 0.00 H ATOM 1005 HB THR A 70 1.683 -36.813 -45.705 1.00 0.00 H ATOM 1006 HG1 THR A 70 -0.587 -37.247 -45.257 1.00 0.00 H ATOM 1007 HG23 THR A 70 2.577 -38.456 -44.104 1.00 0.00 H ATOM 1008 HG21 THR A 70 1.114 -38.281 -43.104 1.00 0.00 H ATOM 1009 HG22 THR A 70 0.996 -38.973 -44.740 1.00 0.00 H ATOM 1010 H THR A 70 0.363 -35.655 -42.446 1.00 0.00 H ATOM 1011 N SER A 71 1.692 -33.378 -43.866 1.00 21.93 N ATOM 1012 CA SER A 71 1.615 -32.050 -44.466 1.00 20.93 C ATOM 1013 C SER A 71 2.589 -31.046 -43.847 1.00 19.97 C ATOM 1014 O SER A 71 3.045 -31.219 -42.712 1.00 20.20 O ATOM 1015 CB SER A 71 0.182 -31.510 -44.386 1.00 21.57 C ATOM 1016 OG SER A 71 -0.147 -31.099 -43.069 1.00 22.01 O ATOM 1017 HA SER A 71 1.909 -32.168 -45.509 1.00 0.00 H ATOM 1018 HB2 SER A 71 -0.510 -32.293 -44.696 1.00 0.00 H ATOM 1019 HB3 SER A 71 0.087 -30.657 -45.058 1.00 0.00 H ATOM 1020 HG SER A 71 -0.068 -31.871 -42.454 1.00 0.00 H ATOM 1021 H SER A 71 1.475 -33.490 -42.855 1.00 0.00 H ATOM 1022 N ALA A 72 2.902 -30.002 -44.612 1.00 19.06 N ATOM 1023 CA ALA A 72 3.715 -28.884 -44.140 1.00 18.34 C ATOM 1024 C ALA A 72 3.265 -27.588 -44.811 1.00 17.92 C ATOM 1025 O ALA A 72 2.590 -27.619 -45.843 1.00 18.00 O ATOM 1026 CB ALA A 72 5.189 -29.142 -44.404 1.00 17.75 C ATOM 1027 HA ALA A 72 3.578 -28.784 -43.063 1.00 0.00 H ATOM 1028 HB1 ALA A 72 5.497 -30.048 -43.882 1.00 0.00 H ATOM 1029 HB2 ALA A 72 5.349 -29.267 -45.475 1.00 0.00 H ATOM 1030 HB3 ALA A 72 5.775 -28.296 -44.044 1.00 0.00 H ATOM 1031 H ALA A 72 2.551 -29.982 -45.591 1.00 0.00 H ATOM 1032 N SER A 73 3.633 -26.451 -44.225 1.00 17.65 N ATOM 1033 CA SER A 73 3.240 -25.155 -44.774 1.00 17.45 C ATOM 1034 C SER A 73 4.294 -24.068 -44.586 1.00 17.00 C ATOM 1035 O SER A 73 4.989 -24.021 -43.564 1.00 17.09 O ATOM 1036 CB SER A 73 1.899 -24.697 -44.187 1.00 18.23 C ATOM 1037 OG SER A 73 1.976 -24.572 -42.779 1.00 18.69 O ATOM 1038 HA SER A 73 3.136 -25.306 -45.848 1.00 0.00 H ATOM 1039 HB2 SER A 73 1.131 -25.429 -44.438 1.00 0.00 H ATOM 1040 HB3 SER A 73 1.633 -23.731 -44.617 1.00 0.00 H ATOM 1041 HG SER A 73 2.669 -23.905 -42.546 1.00 0.00 H ATOM 1042 H SER A 73 4.211 -26.486 -43.361 1.00 0.00 H ATOM 1043 N LEU A 74 4.402 -23.204 -45.591 1.00 16.68 N ATOM 1044 CA LEU A 74 5.247 -22.023 -45.528 1.00 16.51 C ATOM 1045 C LEU A 74 4.368 -20.786 -45.372 1.00 17.02 C ATOM 1046 O LEU A 74 3.359 -20.639 -46.064 1.00 17.22 O ATOM 1047 CB LEU A 74 6.107 -21.914 -46.791 1.00 16.03 C ATOM 1048 CG LEU A 74 7.084 -20.738 -46.922 1.00 16.03 C ATOM 1049 CD1 LEU A 74 8.177 -20.785 -45.865 1.00 16.12 C ATOM 1050 CD2 LEU A 74 7.697 -20.736 -48.304 1.00 15.75 C ATOM 1051 HA LEU A 74 5.915 -22.101 -44.670 1.00 0.00 H ATOM 1052 HB2 LEU A 74 6.696 -22.829 -46.858 1.00 0.00 H ATOM 1053 HB3 LEU A 74 5.425 -21.860 -47.639 1.00 0.00 H ATOM 1054 HG LEU A 74 6.521 -19.818 -46.767 1.00 0.00 H ATOM 1055 HD21 LEU A 74 8.233 -21.671 -48.464 1.00 0.00 H ATOM 1056 HD22 LEU A 74 6.908 -20.636 -49.050 1.00 0.00 H ATOM 1057 HD23 LEU A 74 8.390 -19.899 -48.392 1.00 0.00 H ATOM 1058 HD11 LEU A 74 7.725 -20.744 -44.874 1.00 0.00 H ATOM 1059 HD12 LEU A 74 8.742 -21.711 -45.969 1.00 0.00 H ATOM 1060 HD13 LEU A 74 8.845 -19.934 -45.997 1.00 0.00 H ATOM 1061 H LEU A 74 3.858 -23.381 -46.460 1.00 0.00 H ATOM 1062 N THR A 75 4.757 -19.902 -44.459 1.00 17.37 N ATOM 1063 CA THR A 75 3.988 -18.696 -44.187 1.00 18.07 C ATOM 1064 C THR A 75 4.844 -17.442 -44.325 1.00 18.25 C ATOM 1065 O THR A 75 5.829 -17.258 -43.607 1.00 18.37 O ATOM 1066 CB THR A 75 3.333 -18.753 -42.790 1.00 18.82 C ATOM 1067 OG1 THR A 75 2.441 -19.871 -42.734 1.00 18.88 O ATOM 1068 CG2 THR A 75 2.549 -17.483 -42.502 1.00 19.73 C ATOM 1069 HA THR A 75 3.196 -18.645 -44.934 1.00 0.00 H ATOM 1070 HB THR A 75 4.121 -18.854 -42.044 1.00 0.00 H ATOM 1071 HG1 THR A 75 2.948 -20.705 -42.898 1.00 0.00 H ATOM 1072 HG23 THR A 75 3.221 -16.626 -42.543 1.00 0.00 H ATOM 1073 HG21 THR A 75 1.763 -17.366 -43.248 1.00 0.00 H ATOM 1074 HG22 THR A 75 2.103 -17.550 -41.510 1.00 0.00 H ATOM 1075 H THR A 75 5.633 -20.076 -43.926 1.00 0.00 H ATOM 1076 N ILE A 76 4.458 -16.589 -45.266 1.00 18.45 N ATOM 1077 CA ILE A 76 5.094 -15.296 -45.441 1.00 18.93 C ATOM 1078 C ILE A 76 4.177 -14.233 -44.844 1.00 20.00 C ATOM 1079 O ILE A 76 2.987 -14.172 -45.167 1.00 20.30 O ATOM 1080 CB ILE A 76 5.388 -14.981 -46.934 1.00 18.68 C ATOM 1081 CG1 ILE A 76 5.907 -16.230 -47.661 1.00 17.74 C ATOM 1082 CG2 ILE A 76 6.378 -13.808 -47.048 1.00 19.26 C ATOM 1083 CD1 ILE A 76 5.972 -16.100 -49.167 1.00 17.60 C ATOM 1084 HA ILE A 76 6.058 -15.306 -44.932 1.00 0.00 H ATOM 1085 HB ILE A 76 4.458 -14.683 -47.419 1.00 0.00 H ATOM 1086 HG12 ILE A 76 6.911 -16.445 -47.294 1.00 0.00 H ATOM 1087 HG13 ILE A 76 5.247 -17.063 -47.419 1.00 0.00 H ATOM 1088 HD11 ILE A 76 4.974 -15.898 -49.556 1.00 0.00 H ATOM 1089 HD12 ILE A 76 6.639 -15.279 -49.431 1.00 0.00 H ATOM 1090 HD13 ILE A 76 6.349 -17.029 -49.595 1.00 0.00 H ATOM 1091 HG21 ILE A 76 5.949 -12.925 -46.575 1.00 0.00 H ATOM 1092 HG22 ILE A 76 7.311 -14.072 -46.549 1.00 0.00 H ATOM 1093 HG23 ILE A 76 6.573 -13.600 -48.100 1.00 0.00 H ATOM 1094 H ILE A 76 3.676 -16.855 -45.897 1.00 0.00 H ATOM 1095 N SER A 77 4.736 -13.416 -43.957 1.00 20.74 N ATOM 1096 CA SER A 77 3.991 -12.341 -43.325 1.00 21.98 C ATOM 1097 C SER A 77 4.464 -10.994 -43.849 1.00 22.78 C ATOM 1098 O SER A 77 5.629 -10.843 -44.229 1.00 22.55 O ATOM 1099 CB SER A 77 4.131 -12.405 -41.804 1.00 22.59 C ATOM 1100 OG SER A 77 3.254 -13.371 -41.251 1.00 22.41 O ATOM 1101 HA SER A 77 2.936 -12.461 -43.573 1.00 0.00 H ATOM 1102 HB2 SER A 77 3.895 -11.428 -41.383 1.00 0.00 H ATOM 1103 HB3 SER A 77 5.158 -12.670 -41.552 1.00 0.00 H ATOM 1104 HG SER A 77 3.365 -13.391 -40.267 1.00 0.00 H ATOM 1105 H SER A 77 5.737 -13.550 -43.708 1.00 0.00 H ATOM 1106 N GLY A 78 3.550 -10.024 -43.868 1.00 23.88 N ATOM 1107 CA GLY A 78 3.830 -8.688 -44.392 1.00 24.93 C ATOM 1108 C GLY A 78 4.284 -8.729 -45.839 1.00 24.29 C ATOM 1109 O GLY A 78 5.253 -8.063 -46.206 1.00 24.72 O ATOM 1110 HA3 GLY A 78 4.615 -8.231 -43.789 1.00 0.00 H ATOM 1111 HA2 GLY A 78 2.924 -8.086 -44.324 1.00 0.00 H ATOM 1112 H GLY A 78 2.600 -10.225 -43.495 1.00 0.00 H ATOM 1113 N LEU A 79 3.572 -9.511 -46.652 1.00 23.44 N ATOM 1114 CA LEU A 79 3.944 -9.776 -48.043 1.00 22.79 C ATOM 1115 C LEU A 79 4.444 -8.538 -48.787 1.00 23.78 C ATOM 1116 O LEU A 79 3.720 -7.547 -48.940 1.00 24.96 O ATOM 1117 CB LEU A 79 2.778 -10.423 -48.799 1.00 22.38 C ATOM 1118 CG LEU A 79 3.081 -11.045 -50.167 1.00 21.60 C ATOM 1119 CD1 LEU A 79 3.860 -12.352 -50.036 1.00 20.36 C ATOM 1120 CD2 LEU A 79 1.796 -11.262 -50.948 1.00 21.81 C ATOM 1121 HA LEU A 79 4.783 -10.470 -48.007 1.00 0.00 H ATOM 1122 HB2 LEU A 79 2.374 -11.211 -48.164 1.00 0.00 H ATOM 1123 HB3 LEU A 79 2.020 -9.655 -48.950 1.00 0.00 H ATOM 1124 HG LEU A 79 3.711 -10.345 -50.715 1.00 0.00 H ATOM 1125 HD21 LEU A 79 1.142 -11.932 -50.390 1.00 0.00 H ATOM 1126 HD22 LEU A 79 1.296 -10.305 -51.096 1.00 0.00 H ATOM 1127 HD23 LEU A 79 2.031 -11.704 -51.916 1.00 0.00 H ATOM 1128 HD11 LEU A 79 4.806 -12.160 -49.529 1.00 0.00 H ATOM 1129 HD12 LEU A 79 3.274 -13.066 -49.457 1.00 0.00 H ATOM 1130 HD13 LEU A 79 4.054 -12.759 -51.028 1.00 0.00 H ATOM 1131 H LEU A 79 2.709 -9.955 -46.279 1.00 0.00 H ATOM 1132 N GLN A 80 5.695 -8.608 -49.232 1.00 23.47 N ATOM 1133 CA GLN A 80 6.322 -7.519 -49.971 1.00 24.52 C ATOM 1134 C GLN A 80 6.583 -7.930 -51.411 1.00 23.98 C ATOM 1135 O GLN A 80 6.593 -9.118 -51.735 1.00 22.74 O ATOM 1136 CB GLN A 80 7.631 -7.098 -49.304 1.00 25.06 C ATOM 1137 CG GLN A 80 7.454 -6.262 -48.045 1.00 26.25 C ATOM 1138 CD GLN A 80 8.740 -6.118 -47.254 1.00 26.69 C ATOM 1139 OE1 GLN A 80 9.841 -6.215 -47.804 1.00 26.61 O ATOM 1140 NE2 GLN A 80 8.608 -5.877 -45.951 1.00 27.32 N ATOM 1141 HA GLN A 80 5.638 -6.670 -49.966 1.00 0.00 H ATOM 1142 HB2 GLN A 80 8.185 -7.999 -49.040 1.00 0.00 H ATOM 1143 HB3 GLN A 80 8.208 -6.515 -50.022 1.00 0.00 H ATOM 1144 HG2 GLN A 80 7.107 -5.269 -48.331 1.00 0.00 H ATOM 1145 HG3 GLN A 80 6.706 -6.739 -47.412 1.00 0.00 H ATOM 1146 HE22 GLN A 80 7.660 -5.803 -45.529 1.00 0.00 H ATOM 1147 HE21 GLN A 80 9.453 -5.763 -45.355 1.00 0.00 H ATOM 1148 H GLN A 80 6.246 -9.470 -49.046 1.00 0.00 H ATOM 1149 N SER A 81 6.801 -6.935 -52.267 1.00 25.10 N ATOM 1150 CA SER A 81 7.046 -7.157 -53.688 1.00 24.94 C ATOM 1151 C SER A 81 8.222 -8.102 -53.959 1.00 23.98 C ATOM 1152 O SER A 81 8.223 -8.821 -54.954 1.00 23.38 O ATOM 1153 CB SER A 81 7.276 -5.822 -54.395 1.00 26.61 C ATOM 1154 OG SER A 81 7.213 -5.981 -55.799 1.00 26.65 O ATOM 1155 HA SER A 81 6.155 -7.643 -54.085 1.00 0.00 H ATOM 1156 HB2 SER A 81 8.259 -5.437 -54.122 1.00 0.00 H ATOM 1157 HB3 SER A 81 6.510 -5.114 -54.080 1.00 0.00 H ATOM 1158 HG SER A 81 7.910 -6.621 -56.089 1.00 0.00 H ATOM 1159 H SER A 81 6.797 -5.959 -51.908 1.00 0.00 H ATOM 1160 N GLU A 82 9.211 -8.099 -53.066 1.00 24.00 N ATOM 1161 CA GLU A 82 10.420 -8.907 -53.238 1.00 23.36 C ATOM 1162 C GLU A 82 10.239 -10.394 -52.893 1.00 21.81 C ATOM 1163 O GLU A 82 11.158 -11.194 -53.081 1.00 21.28 O ATOM 1164 CB GLU A 82 11.602 -8.299 -52.466 1.00 24.25 C ATOM 1165 CG GLU A 82 11.421 -8.191 -50.953 1.00 24.29 C ATOM 1166 CD GLU A 82 12.746 -8.053 -50.219 1.00 24.89 C ATOM 1167 OE1 GLU A 82 13.471 -9.067 -50.090 1.00 24.04 O ATOM 1168 OE2 GLU A 82 13.064 -6.933 -49.766 1.00 26.37 O ATOM 1169 HA GLU A 82 10.641 -8.882 -54.305 1.00 0.00 H ATOM 1170 HB2 GLU A 82 12.479 -8.918 -52.655 1.00 0.00 H ATOM 1171 HB3 GLU A 82 11.776 -7.296 -52.855 1.00 0.00 H ATOM 1172 HG2 GLU A 82 10.807 -7.317 -50.735 1.00 0.00 H ATOM 1173 HG3 GLU A 82 10.914 -9.088 -50.596 1.00 0.00 H ATOM 1174 H GLU A 82 9.121 -7.503 -52.219 1.00 0.00 H ATOM 1175 N ASP A 83 9.056 -10.752 -52.396 1.00 21.28 N ATOM 1176 CA ASP A 83 8.713 -12.146 -52.112 1.00 20.03 C ATOM 1177 C ASP A 83 8.127 -12.835 -53.341 1.00 19.57 C ATOM 1178 O ASP A 83 7.950 -14.055 -53.355 1.00 18.71 O ATOM 1179 CB ASP A 83 7.724 -12.235 -50.946 1.00 19.91 C ATOM 1180 CG ASP A 83 8.271 -11.637 -49.666 1.00 20.47 C ATOM 1181 OD1 ASP A 83 9.489 -11.750 -49.411 1.00 20.48 O ATOM 1182 OD2 ASP A 83 7.472 -11.055 -48.907 1.00 21.05 O ATOM 1183 HA ASP A 83 9.634 -12.659 -51.836 1.00 0.00 H ATOM 1184 HB2 ASP A 83 6.814 -11.701 -51.219 1.00 0.00 H ATOM 1185 HB3 ASP A 83 7.489 -13.284 -50.768 1.00 0.00 H ATOM 1186 H ASP A 83 8.350 -10.013 -52.203 1.00 0.00 H ATOM 1187 N GLU A 84 7.828 -12.038 -54.364 1.00 20.32 N ATOM 1188 CA GLU A 84 7.299 -12.523 -55.631 1.00 20.20 C ATOM 1189 C GLU A 84 8.267 -13.525 -56.263 1.00 19.64 C ATOM 1190 O GLU A 84 9.222 -13.140 -56.942 1.00 20.17 O ATOM 1191 CB GLU A 84 7.054 -11.335 -56.564 1.00 21.38 C ATOM 1192 CG GLU A 84 5.998 -11.551 -57.626 1.00 21.57 C ATOM 1193 CD GLU A 84 5.451 -10.244 -58.170 1.00 22.91 C ATOM 1194 OE1 GLU A 84 4.802 -9.502 -57.401 1.00 23.41 O ATOM 1195 OE2 GLU A 84 5.665 -9.963 -59.369 1.00 23.59 O ATOM 1196 HA GLU A 84 6.353 -13.037 -55.458 1.00 0.00 H ATOM 1197 HB2 GLU A 84 6.749 -10.485 -55.954 1.00 0.00 H ATOM 1198 HB3 GLU A 84 7.993 -11.102 -57.066 1.00 0.00 H ATOM 1199 HG2 GLU A 84 6.438 -12.116 -58.448 1.00 0.00 H ATOM 1200 HG3 GLU A 84 5.177 -12.122 -57.193 1.00 0.00 H ATOM 1201 H GLU A 84 7.980 -11.015 -54.253 1.00 0.00 H ATOM 1202 N ALA A 85 8.012 -14.811 -56.017 1.00 18.74 N ATOM 1203 CA ALA A 85 8.908 -15.893 -56.434 1.00 18.26 C ATOM 1204 C ALA A 85 8.206 -17.256 -56.433 1.00 17.59 C ATOM 1205 O ALA A 85 7.021 -17.351 -56.111 1.00 17.51 O ATOM 1206 CB ALA A 85 10.142 -15.930 -55.531 1.00 18.11 C ATOM 1207 HA ALA A 85 9.215 -15.688 -57.459 1.00 0.00 H ATOM 1208 HB1 ALA A 85 10.671 -14.979 -55.601 1.00 0.00 H ATOM 1209 HB2 ALA A 85 9.831 -16.099 -54.500 1.00 0.00 H ATOM 1210 HB3 ALA A 85 10.800 -16.738 -55.850 1.00 0.00 H ATOM 1211 H ALA A 85 7.139 -15.056 -55.507 1.00 0.00 H ATOM 1212 N ASP A 86 8.948 -18.301 -56.804 1.00 17.30 N ATOM 1213 CA ASP A 86 8.458 -19.680 -56.755 1.00 16.84 C ATOM 1214 C ASP A 86 9.043 -20.410 -55.554 1.00 16.31 C ATOM 1215 O ASP A 86 10.259 -20.404 -55.344 1.00 16.32 O ATOM 1216 CB ASP A 86 8.811 -20.436 -58.036 1.00 17.12 C ATOM 1217 CG ASP A 86 8.122 -19.873 -59.261 1.00 17.78 C ATOM 1218 OD1 ASP A 86 7.648 -20.681 -60.084 1.00 18.03 O ATOM 1219 OD2 ASP A 86 8.059 -18.630 -59.407 1.00 18.19 O ATOM 1220 HA ASP A 86 7.373 -19.643 -56.661 1.00 0.00 H ATOM 1221 HB2 ASP A 86 9.889 -20.381 -58.187 1.00 0.00 H ATOM 1222 HB3 ASP A 86 8.515 -21.478 -57.918 1.00 0.00 H ATOM 1223 H ASP A 86 9.916 -18.129 -57.143 1.00 0.00 H ATOM 1224 N TYR A 87 8.176 -21.050 -54.778 1.00 16.01 N ATOM 1225 CA TYR A 87 8.590 -21.707 -53.543 1.00 15.65 C ATOM 1226 C TYR A 87 8.432 -23.225 -53.622 1.00 15.54 C ATOM 1227 O TYR A 87 7.385 -23.732 -54.043 1.00 15.72 O ATOM 1228 CB TYR A 87 7.827 -21.122 -52.353 1.00 15.63 C ATOM 1229 CG TYR A 87 8.107 -19.651 -52.115 1.00 15.93 C ATOM 1230 CD1 TYR A 87 7.425 -18.664 -52.829 1.00 16.35 C ATOM 1231 CD2 TYR A 87 9.055 -19.244 -51.177 1.00 15.97 C ATOM 1232 CE1 TYR A 87 7.681 -17.308 -52.613 1.00 16.84 C ATOM 1233 CE2 TYR A 87 9.315 -17.895 -50.951 1.00 16.48 C ATOM 1234 CZ TYR A 87 8.625 -16.934 -51.671 1.00 16.92 C ATOM 1235 OH TYR A 87 8.881 -15.599 -51.454 1.00 17.62 O ATOM 1236 HA TYR A 87 9.653 -21.514 -53.399 1.00 0.00 H ATOM 1237 HB3 TYR A 87 8.108 -21.676 -51.457 1.00 0.00 H ATOM 1238 HB2 TYR A 87 6.759 -21.245 -52.534 1.00 0.00 H ATOM 1239 HD2 TYR A 87 9.603 -19.996 -50.610 1.00 0.00 H ATOM 1240 HE2 TYR A 87 10.058 -17.597 -50.211 1.00 0.00 H ATOM 1241 HE1 TYR A 87 7.142 -16.550 -53.181 1.00 0.00 H ATOM 1242 HD1 TYR A 87 6.679 -18.957 -53.568 1.00 0.00 H ATOM 1243 HH TYR A 87 8.306 -15.053 -52.047 1.00 0.00 H ATOM 1244 H TYR A 87 7.175 -21.084 -55.058 1.00 0.00 H ATOM 1245 N TYR A 88 9.482 -23.939 -53.216 1.00 15.43 N ATOM 1246 CA TYR A 88 9.538 -25.396 -53.354 1.00 15.53 C ATOM 1247 C TYR A 88 9.729 -26.106 -52.021 1.00 15.43 C ATOM 1248 O TYR A 88 10.641 -25.790 -51.254 1.00 15.33 O ATOM 1249 CB TYR A 88 10.656 -25.810 -54.319 1.00 15.80 C ATOM 1250 CG TYR A 88 10.530 -25.239 -55.714 1.00 16.10 C ATOM 1251 CD1 TYR A 88 11.059 -23.983 -56.023 1.00 16.17 C ATOM 1252 CD2 TYR A 88 9.895 -25.954 -56.729 1.00 16.50 C ATOM 1253 CE1 TYR A 88 10.950 -23.451 -57.300 1.00 16.60 C ATOM 1254 CE2 TYR A 88 9.783 -25.428 -58.014 1.00 16.92 C ATOM 1255 CZ TYR A 88 10.314 -24.174 -58.289 1.00 16.95 C ATOM 1256 OH TYR A 88 10.213 -23.642 -59.554 1.00 17.51 O ATOM 1257 HA TYR A 88 8.573 -25.702 -53.757 1.00 0.00 H ATOM 1258 HB3 TYR A 88 10.654 -26.897 -54.395 1.00 0.00 H ATOM 1259 HB2 TYR A 88 11.606 -25.478 -53.901 1.00 0.00 H ATOM 1260 HD2 TYR A 88 9.480 -26.939 -56.514 1.00 0.00 H ATOM 1261 HE2 TYR A 88 9.282 -25.996 -58.798 1.00 0.00 H ATOM 1262 HE1 TYR A 88 11.364 -22.467 -57.521 1.00 0.00 H ATOM 1263 HD1 TYR A 88 11.567 -23.411 -55.247 1.00 0.00 H ATOM 1264 HH TYR A 88 10.642 -22.750 -59.571 1.00 0.00 H ATOM 1265 H TYR A 88 10.290 -23.444 -52.786 1.00 0.00 H ATOM 1266 N ALA A 89 8.859 -27.075 -51.759 1.00 15.63 N ATOM 1267 CA ALA A 89 8.980 -27.927 -50.587 1.00 15.75 C ATOM 1268 C ALA A 89 9.926 -29.083 -50.889 1.00 16.07 C ATOM 1269 O ALA A 89 9.860 -29.691 -51.960 1.00 16.40 O ATOM 1270 CB ALA A 89 7.623 -28.447 -50.171 1.00 16.08 C ATOM 1271 HA ALA A 89 9.388 -27.343 -49.762 1.00 0.00 H ATOM 1272 HB1 ALA A 89 6.970 -27.607 -49.934 1.00 0.00 H ATOM 1273 HB2 ALA A 89 7.191 -29.025 -50.988 1.00 0.00 H ATOM 1274 HB3 ALA A 89 7.733 -29.083 -49.292 1.00 0.00 H ATOM 1275 H ALA A 89 8.066 -27.229 -52.413 1.00 0.00 H ATOM 1276 N ALA A 90 10.810 -29.369 -49.941 1.00 16.12 N ATOM 1277 CA ALA A 90 11.789 -30.434 -50.088 1.00 16.57 C ATOM 1278 C ALA A 90 11.888 -31.230 -48.798 1.00 16.93 C ATOM 1279 O ALA A 90 11.788 -30.667 -47.704 1.00 16.73 O ATOM 1280 CB ALA A 90 13.146 -29.861 -50.462 1.00 16.52 C ATOM 1281 HA ALA A 90 11.465 -31.099 -50.888 1.00 0.00 H ATOM 1282 HB1 ALA A 90 13.064 -29.322 -51.406 1.00 0.00 H ATOM 1283 HB2 ALA A 90 13.479 -29.178 -49.680 1.00 0.00 H ATOM 1284 HB3 ALA A 90 13.865 -30.673 -50.568 1.00 0.00 H ATOM 1285 H ALA A 90 10.802 -28.812 -49.063 1.00 0.00 H ATOM 1286 N THR A 91 12.069 -32.541 -48.943 1.00 17.61 N ATOM 1287 CA THR A 91 12.266 -33.454 -47.816 1.00 18.20 C ATOM 1288 C THR A 91 12.839 -34.788 -48.305 1.00 19.10 C ATOM 1289 O THR A 91 12.797 -35.090 -49.500 1.00 19.31 O ATOM 1290 CB THR A 91 10.955 -33.685 -47.011 1.00 18.41 C ATOM 1291 OG1 THR A 91 11.244 -34.428 -45.818 1.00 19.06 O ATOM 1292 CG2 THR A 91 9.908 -34.432 -47.847 1.00 18.90 C ATOM 1293 HA THR A 91 12.980 -32.986 -47.139 1.00 0.00 H ATOM 1294 HB THR A 91 10.543 -32.711 -46.748 1.00 0.00 H ATOM 1295 HG1 THR A 91 11.886 -33.920 -45.262 1.00 0.00 H ATOM 1296 HG23 THR A 91 9.693 -33.862 -48.751 1.00 0.00 H ATOM 1297 HG21 THR A 91 10.295 -35.414 -48.118 1.00 0.00 H ATOM 1298 HG22 THR A 91 8.995 -34.548 -47.264 1.00 0.00 H ATOM 1299 H THR A 91 12.070 -32.936 -49.905 1.00 0.00 H ATOM 1300 N TRP A 92 13.382 -35.575 -47.380 1.00 19.77 N ATOM 1301 CA TRP A 92 13.907 -36.897 -47.706 1.00 20.86 C ATOM 1302 C TRP A 92 12.779 -37.916 -47.767 1.00 21.66 C ATOM 1303 O TRP A 92 11.821 -37.834 -46.996 1.00 21.63 O ATOM 1304 CB TRP A 92 14.942 -37.330 -46.667 1.00 21.47 C ATOM 1305 CG TRP A 92 15.672 -38.586 -47.027 1.00 22.70 C ATOM 1306 CD1 TRP A 92 15.333 -39.860 -46.676 1.00 23.91 C ATOM 1307 CD2 TRP A 92 16.866 -38.688 -47.808 1.00 23.06 C ATOM 1308 NE1 TRP A 92 16.243 -40.752 -47.189 1.00 25.00 N ATOM 1309 CE2 TRP A 92 17.196 -40.060 -47.887 1.00 24.50 C ATOM 1310 CE3 TRP A 92 17.694 -37.754 -48.447 1.00 22.49 C ATOM 1311 CZ2 TRP A 92 18.319 -40.524 -48.582 1.00 25.36 C ATOM 1312 CZ3 TRP A 92 18.813 -38.216 -49.139 1.00 23.35 C ATOM 1313 CH2 TRP A 92 19.112 -39.591 -49.199 1.00 24.76 C ATOM 1314 HA TRP A 92 14.388 -36.844 -48.683 1.00 0.00 H ATOM 1315 HB2 TRP A 92 15.672 -36.528 -46.554 1.00 0.00 H ATOM 1316 HB3 TRP A 92 14.430 -37.490 -45.718 1.00 0.00 H ATOM 1317 HE1 TRP A 92 16.213 -41.784 -47.067 1.00 0.00 H ATOM 1318 HD1 TRP A 92 14.465 -40.131 -46.075 1.00 0.00 H ATOM 1319 HZ2 TRP A 92 18.554 -41.587 -48.631 1.00 0.00 H ATOM 1320 HH2 TRP A 92 19.994 -39.921 -49.748 1.00 0.00 H ATOM 1321 HZ3 TRP A 92 19.466 -37.502 -49.641 1.00 0.00 H ATOM 1322 HE3 TRP A 92 17.468 -36.689 -48.404 1.00 0.00 H ATOM 1323 H TRP A 92 13.434 -35.239 -46.397 1.00 0.00 H ATOM 1324 N ASP A 93 12.903 -38.870 -48.687 1.00 22.55 N ATOM 1325 CA ASP A 93 11.953 -39.974 -48.806 1.00 23.69 C ATOM 1326 C ASP A 93 12.638 -41.293 -48.447 1.00 25.15 C ATOM 1327 O ASP A 93 13.633 -41.678 -49.065 1.00 25.64 O ATOM 1328 CB ASP A 93 11.368 -40.028 -50.223 1.00 23.84 C ATOM 1329 CG ASP A 93 10.132 -40.907 -50.317 1.00 24.97 C ATOM 1330 OD1 ASP A 93 10.247 -42.138 -50.141 1.00 26.43 O ATOM 1331 OD2 ASP A 93 9.041 -40.366 -50.587 1.00 24.57 O ATOM 1332 HA ASP A 93 11.131 -39.811 -48.109 1.00 0.00 H ATOM 1333 HB2 ASP A 93 11.100 -39.016 -50.528 1.00 0.00 H ATOM 1334 HB3 ASP A 93 12.127 -40.421 -50.899 1.00 0.00 H ATOM 1335 H ASP A 93 13.706 -38.828 -49.346 1.00 0.00 H ATOM 1336 N ASP A 94 12.097 -41.975 -47.440 1.00 25.99 N ATOM 1337 CA ASP A 94 12.662 -43.228 -46.948 1.00 27.57 C ATOM 1338 C ASP A 94 12.398 -44.413 -47.877 1.00 29.12 C ATOM 1339 O ASP A 94 13.127 -45.405 -47.841 1.00 30.49 O ATOM 1340 CB ASP A 94 12.137 -43.535 -45.542 1.00 28.14 C ATOM 1341 CG ASP A 94 12.724 -42.617 -44.481 1.00 27.13 C ATOM 1342 OD1 ASP A 94 13.591 -41.780 -44.812 1.00 26.07 O ATOM 1343 OD2 ASP A 94 12.318 -42.737 -43.306 1.00 27.56 O ATOM 1344 HA ASP A 94 13.742 -43.088 -46.916 1.00 0.00 H ATOM 1345 HB2 ASP A 94 11.053 -43.420 -45.542 1.00 0.00 H ATOM 1346 HB3 ASP A 94 12.392 -44.565 -45.292 1.00 0.00 H ATOM 1347 H ASP A 94 11.239 -41.601 -46.986 1.00 0.00 H ATOM 1348 N SER A 95 11.358 -44.306 -48.702 1.00 29.06 N ATOM 1349 CA SER A 95 10.996 -45.369 -49.640 1.00 30.66 C ATOM 1350 C SER A 95 11.820 -45.288 -50.926 1.00 30.59 C ATOM 1351 O SER A 95 12.244 -46.313 -51.463 1.00 32.18 O ATOM 1352 CB SER A 95 9.498 -45.314 -49.960 1.00 30.89 C ATOM 1353 OG SER A 95 9.071 -46.477 -50.644 1.00 32.84 O ATOM 1354 HA SER A 95 11.220 -46.323 -49.162 1.00 0.00 H ATOM 1355 HB2 SER A 95 9.301 -44.443 -50.585 1.00 0.00 H ATOM 1356 HB3 SER A 95 8.939 -45.226 -49.028 1.00 0.00 H ATOM 1357 HG SER A 95 8.102 -46.409 -50.835 1.00 0.00 H ATOM 1358 H SER A 95 10.785 -43.439 -48.679 1.00 0.00 H ATOM 1359 N LEU A 96 12.042 -44.065 -51.406 1.00 28.92 N ATOM 1360 CA LEU A 96 12.813 -43.828 -52.629 1.00 28.82 C ATOM 1361 C LEU A 96 14.308 -43.656 -52.349 1.00 28.59 C ATOM 1362 O LEU A 96 15.118 -43.645 -53.278 1.00 28.91 O ATOM 1363 CB LEU A 96 12.268 -42.609 -53.388 1.00 27.41 C ATOM 1364 CG LEU A 96 10.818 -42.658 -53.899 1.00 27.70 C ATOM 1365 CD1 LEU A 96 10.308 -41.260 -54.201 1.00 26.10 C ATOM 1366 CD2 LEU A 96 10.650 -43.568 -55.122 1.00 29.33 C ATOM 1367 HA LEU A 96 12.699 -44.715 -53.253 1.00 0.00 H ATOM 1368 HB2 LEU A 96 12.347 -41.751 -52.720 1.00 0.00 H ATOM 1369 HB3 LEU A 96 12.911 -42.454 -54.254 1.00 0.00 H ATOM 1370 HG LEU A 96 10.218 -43.091 -53.098 1.00 0.00 H ATOM 1371 HD21 LEU A 96 11.278 -43.202 -55.934 1.00 0.00 H ATOM 1372 HD22 LEU A 96 10.946 -44.584 -54.861 1.00 0.00 H ATOM 1373 HD23 LEU A 96 9.607 -43.562 -55.437 1.00 0.00 H ATOM 1374 HD11 LEU A 96 10.342 -40.658 -53.293 1.00 0.00 H ATOM 1375 HD12 LEU A 96 10.936 -40.803 -54.965 1.00 0.00 H ATOM 1376 HD13 LEU A 96 9.281 -41.319 -54.561 1.00 0.00 H ATOM 1377 H LEU A 96 11.653 -43.248 -50.893 1.00 0.00 H ATOM 1378 N ASN A 97 14.656 -43.527 -51.067 1.00 28.22 N ATOM 1379 CA ASN A 97 16.045 -43.367 -50.608 1.00 28.17 C ATOM 1380 C ASN A 97 16.775 -42.182 -51.255 1.00 26.98 C ATOM 1381 O ASN A 97 17.916 -42.298 -51.715 1.00 27.54 O ATOM 1382 CB ASN A 97 16.836 -44.676 -50.769 1.00 30.10 C ATOM 1383 CG ASN A 97 18.078 -44.724 -49.892 1.00 30.40 C ATOM 1384 OD1 ASN A 97 18.012 -44.512 -48.678 1.00 30.00 O ATOM 1385 ND2 ASN A 97 19.220 -45.010 -50.507 1.00 31.27 N ATOM 1386 HA ASN A 97 15.987 -43.129 -49.546 1.00 0.00 H ATOM 1387 HB2 ASN A 97 16.188 -45.510 -50.502 1.00 0.00 H ATOM 1388 HB3 ASN A 97 17.141 -44.774 -51.811 1.00 0.00 H ATOM 1389 HD22 ASN A 97 19.229 -45.182 -51.533 1.00 0.00 H ATOM 1390 HD21 ASN A 97 20.105 -45.062 -49.963 1.00 0.00 H ATOM 1391 H ASN A 97 13.902 -43.540 -50.351 1.00 0.00 H ATOM 1392 N GLY A 98 16.099 -41.039 -51.277 1.00 25.49 N ATOM 1393 CA GLY A 98 16.642 -39.832 -51.880 1.00 24.44 C ATOM 1394 C GLY A 98 15.738 -38.641 -51.655 1.00 22.98 C ATOM 1395 O GLY A 98 14.686 -38.763 -51.021 1.00 22.79 O ATOM 1396 HA3 GLY A 98 16.756 -39.992 -52.952 1.00 0.00 H ATOM 1397 HA2 GLY A 98 17.617 -39.624 -51.440 1.00 0.00 H ATOM 1398 H GLY A 98 15.151 -41.006 -50.850 1.00 0.00 H ATOM 1399 N TRP A 99 16.152 -37.489 -52.178 1.00 22.12 N ATOM 1400 CA TRP A 99 15.392 -36.253 -52.032 1.00 20.87 C ATOM 1401 C TRP A 99 14.167 -36.228 -52.935 1.00 20.77 C ATOM 1402 O TRP A 99 14.206 -36.703 -54.071 1.00 21.45 O ATOM 1403 CB TRP A 99 16.275 -35.031 -52.310 1.00 20.24 C ATOM 1404 CG TRP A 99 17.408 -34.870 -51.333 1.00 20.37 C ATOM 1405 CD1 TRP A 99 18.741 -35.005 -51.596 1.00 21.06 C ATOM 1406 CD2 TRP A 99 17.304 -34.555 -49.935 1.00 19.98 C ATOM 1407 NE1 TRP A 99 19.474 -34.792 -50.451 1.00 21.13 N ATOM 1408 CE2 TRP A 99 18.619 -34.514 -49.418 1.00 20.47 C ATOM 1409 CE3 TRP A 99 16.227 -34.303 -49.070 1.00 19.42 C ATOM 1410 CZ2 TRP A 99 18.889 -34.231 -48.074 1.00 20.41 C ATOM 1411 CZ3 TRP A 99 16.496 -34.022 -47.732 1.00 19.35 C ATOM 1412 CH2 TRP A 99 17.818 -33.989 -47.248 1.00 19.84 C ATOM 1413 HA TRP A 99 15.047 -36.213 -50.999 1.00 0.00 H ATOM 1414 HB2 TRP A 99 16.695 -35.130 -53.311 1.00 0.00 H ATOM 1415 HB3 TRP A 99 15.652 -34.138 -52.265 1.00 0.00 H ATOM 1416 HE1 TRP A 99 20.511 -34.835 -50.381 1.00 0.00 H ATOM 1417 HD1 TRP A 99 19.163 -35.246 -52.571 1.00 0.00 H ATOM 1418 HZ2 TRP A 99 19.911 -34.204 -47.697 1.00 0.00 H ATOM 1419 HH2 TRP A 99 17.995 -33.767 -46.196 1.00 0.00 H ATOM 1420 HZ3 TRP A 99 15.670 -33.825 -47.049 1.00 0.00 H ATOM 1421 HE3 TRP A 99 15.201 -34.327 -49.438 1.00 0.00 H ATOM 1422 H TRP A 99 17.047 -37.470 -52.708 1.00 0.00 H ATOM 1423 N VAL A 100 13.077 -35.684 -52.408 1.00 20.09 N ATOM 1424 CA VAL A 100 11.862 -35.452 -53.189 1.00 19.99 C ATOM 1425 C VAL A 100 11.432 -33.990 -53.073 1.00 18.88 C ATOM 1426 O VAL A 100 11.699 -33.332 -52.063 1.00 18.28 O ATOM 1427 CB VAL A 100 10.704 -36.415 -52.803 1.00 20.72 C ATOM 1428 CG1 VAL A 100 11.008 -37.825 -53.286 1.00 22.08 C ATOM 1429 CG2 VAL A 100 10.430 -36.396 -51.298 1.00 20.48 C ATOM 1430 HA VAL A 100 12.099 -35.669 -54.230 1.00 0.00 H ATOM 1431 HB VAL A 100 9.798 -36.066 -53.298 1.00 0.00 H ATOM 1432 HG11 VAL A 100 11.121 -37.820 -54.370 1.00 0.00 H ATOM 1433 HG12 VAL A 100 11.932 -38.175 -52.825 1.00 0.00 H ATOM 1434 HG13 VAL A 100 10.188 -38.487 -53.008 1.00 0.00 H ATOM 1435 HG21 VAL A 100 11.328 -36.706 -50.763 1.00 0.00 H ATOM 1436 HG22 VAL A 100 10.154 -35.387 -50.993 1.00 0.00 H ATOM 1437 HG23 VAL A 100 9.614 -37.082 -51.070 1.00 0.00 H ATOM 1438 H VAL A 100 13.087 -35.413 -51.404 1.00 0.00 H ATOM 1439 N PHE A 101 10.781 -33.487 -54.116 1.00 18.78 N ATOM 1440 CA PHE A 101 10.470 -32.067 -54.206 1.00 17.94 C ATOM 1441 C PHE A 101 9.027 -31.821 -54.607 1.00 18.01 C ATOM 1442 O PHE A 101 8.407 -32.652 -55.274 1.00 18.78 O ATOM 1443 CB PHE A 101 11.417 -31.373 -55.197 1.00 17.85 C ATOM 1444 CG PHE A 101 12.870 -31.626 -54.922 1.00 18.04 C ATOM 1445 CD1 PHE A 101 13.579 -32.555 -55.672 1.00 18.89 C ATOM 1446 CD2 PHE A 101 13.525 -30.951 -53.901 1.00 17.54 C ATOM 1447 CE1 PHE A 101 14.928 -32.802 -55.413 1.00 19.24 C ATOM 1448 CE2 PHE A 101 14.872 -31.193 -53.631 1.00 17.89 C ATOM 1449 CZ PHE A 101 15.574 -32.116 -54.390 1.00 18.73 C ATOM 1450 HA PHE A 101 10.612 -31.643 -53.212 1.00 0.00 H ATOM 1451 HB2 PHE A 101 11.189 -31.732 -56.200 1.00 0.00 H ATOM 1452 HB3 PHE A 101 11.239 -30.299 -55.148 1.00 0.00 H ATOM 1453 HD2 PHE A 101 12.979 -30.222 -53.302 1.00 0.00 H ATOM 1454 HE2 PHE A 101 15.372 -30.657 -52.824 1.00 0.00 H ATOM 1455 HZ PHE A 101 16.628 -32.304 -54.186 1.00 0.00 H ATOM 1456 HE1 PHE A 101 15.474 -33.531 -56.011 1.00 0.00 H ATOM 1457 HD1 PHE A 101 13.076 -33.098 -56.472 1.00 0.00 H ATOM 1458 H PHE A 101 10.487 -34.122 -54.886 1.00 0.00 H ATOM 1459 N GLY A 102 8.498 -30.677 -54.185 1.00 17.36 N ATOM 1460 CA GLY A 102 7.199 -30.213 -54.646 1.00 17.48 C ATOM 1461 C GLY A 102 7.303 -29.637 -56.045 1.00 17.60 C ATOM 1462 O GLY A 102 8.401 -29.346 -56.525 1.00 17.47 O ATOM 1463 HA3 GLY A 102 6.832 -29.443 -53.968 1.00 0.00 H ATOM 1464 HA2 GLY A 102 6.501 -31.051 -54.654 1.00 0.00 H ATOM 1465 H GLY A 102 9.029 -30.096 -53.505 1.00 0.00 H ATOM 1466 N GLY A 103 6.155 -29.484 -56.701 1.00 18.02 N ATOM 1467 CA GLY A 103 6.092 -28.896 -58.038 1.00 18.31 C ATOM 1468 C GLY A 103 6.457 -27.426 -58.023 1.00 17.69 C ATOM 1469 O GLY A 103 7.097 -26.930 -58.952 1.00 17.84 O ATOM 1470 HA3 GLY A 103 5.078 -29.004 -58.424 1.00 0.00 H ATOM 1471 HA2 GLY A 103 6.786 -29.426 -58.690 1.00 0.00 H ATOM 1472 H GLY A 103 5.272 -29.793 -56.247 1.00 0.00 H ATOM 1473 N GLY A 104 6.056 -26.734 -56.959 1.00 17.18 N ATOM 1474 CA GLY A 104 6.344 -25.315 -56.794 1.00 16.78 C ATOM 1475 C GLY A 104 5.090 -24.474 -56.713 1.00 16.95 C ATOM 1476 O GLY A 104 4.118 -24.726 -57.421 1.00 17.53 O ATOM 1477 HA3 GLY A 104 6.937 -24.977 -57.644 1.00 0.00 H ATOM 1478 HA2 GLY A 104 6.916 -25.179 -55.876 1.00 0.00 H ATOM 1479 H GLY A 104 5.517 -27.225 -56.217 1.00 0.00 H ATOM 1480 N THR A 105 5.110 -23.478 -55.835 1.00 16.61 N ATOM 1481 CA THR A 105 4.030 -22.498 -55.751 1.00 16.91 C ATOM 1482 C THR A 105 4.572 -21.107 -56.076 1.00 16.94 C ATOM 1483 O THR A 105 5.514 -20.626 -55.435 1.00 16.60 O ATOM 1484 CB THR A 105 3.359 -22.486 -54.357 1.00 16.82 C ATOM 1485 OG1 THR A 105 2.944 -23.811 -54.004 1.00 16.95 O ATOM 1486 CG2 THR A 105 2.147 -21.567 -54.347 1.00 17.37 C ATOM 1487 HA THR A 105 3.269 -22.783 -56.478 1.00 0.00 H ATOM 1488 HB THR A 105 4.087 -22.119 -53.634 1.00 0.00 H ATOM 1489 HG1 THR A 105 2.297 -24.143 -54.676 1.00 0.00 H ATOM 1490 HG23 THR A 105 2.456 -20.557 -54.615 1.00 0.00 H ATOM 1491 HG21 THR A 105 1.414 -21.927 -55.068 1.00 0.00 H ATOM 1492 HG22 THR A 105 1.705 -21.561 -53.350 1.00 0.00 H ATOM 1493 H THR A 105 5.919 -23.393 -55.187 1.00 0.00 H ATOM 1494 N LYS A 106 3.975 -20.474 -57.081 1.00 17.51 N ATOM 1495 CA LYS A 106 4.343 -19.121 -57.466 1.00 17.82 C ATOM 1496 C LYS A 106 3.580 -18.115 -56.612 1.00 18.06 C ATOM 1497 O LYS A 106 2.388 -18.287 -56.356 1.00 18.35 O ATOM 1498 CB LYS A 106 4.051 -18.894 -58.949 1.00 18.52 C ATOM 1499 CG LYS A 106 4.788 -17.717 -59.563 1.00 18.96 C ATOM 1500 CD LYS A 106 4.490 -17.614 -61.052 1.00 19.79 C ATOM 1501 CE LYS A 106 5.219 -16.443 -61.697 1.00 20.45 C ATOM 1502 NZ LYS A 106 6.691 -16.670 -61.856 1.00 20.25 N ATOM 1503 HA LYS A 106 5.412 -18.983 -57.302 1.00 0.00 H ATOM 1504 HB2 LYS A 106 4.334 -19.795 -59.494 1.00 0.00 H ATOM 1505 HB3 LYS A 106 2.981 -18.723 -59.063 1.00 0.00 H ATOM 1506 HG2 LYS A 106 4.470 -16.798 -59.070 1.00 0.00 H ATOM 1507 HG3 LYS A 106 5.860 -17.852 -59.421 1.00 0.00 H ATOM 1508 HD2 LYS A 106 4.804 -18.537 -61.539 1.00 0.00 H ATOM 1509 HD3 LYS A 106 3.417 -17.480 -61.189 1.00 0.00 H ATOM 1510 HE2 LYS A 106 5.071 -15.560 -61.076 1.00 0.00 H ATOM 1511 HE3 LYS A 106 4.788 -16.269 -62.683 1.00 0.00 H ATOM 1512 HZ1 LYS A 106 7.119 -16.827 -60.921 1.00 0.00 H ATOM 1513 HZ2 LYS A 106 6.849 -17.505 -62.456 1.00 0.00 H ATOM 1514 HZ3 LYS A 106 7.123 -15.835 -62.300 1.00 0.00 H ATOM 1515 H LYS A 106 3.222 -20.961 -57.608 1.00 0.00 H ATOM 1516 N VAL A 107 4.279 -17.078 -56.163 1.00 18.11 N ATOM 1517 CA VAL A 107 3.665 -16.006 -55.388 1.00 18.56 C ATOM 1518 C VAL A 107 3.651 -14.726 -56.213 1.00 19.43 C ATOM 1519 O VAL A 107 4.677 -14.321 -56.759 1.00 19.56 O ATOM 1520 CB VAL A 107 4.384 -15.790 -54.032 1.00 18.22 C ATOM 1521 CG1 VAL A 107 3.901 -14.521 -53.344 1.00 18.95 C ATOM 1522 CG2 VAL A 107 4.168 -16.994 -53.125 1.00 17.60 C ATOM 1523 HA VAL A 107 2.639 -16.293 -55.156 1.00 0.00 H ATOM 1524 HB VAL A 107 5.450 -15.679 -54.231 1.00 0.00 H ATOM 1525 HG11 VAL A 107 4.103 -13.662 -53.984 1.00 0.00 H ATOM 1526 HG12 VAL A 107 2.829 -14.594 -53.160 1.00 0.00 H ATOM 1527 HG13 VAL A 107 4.426 -14.401 -52.396 1.00 0.00 H ATOM 1528 HG21 VAL A 107 3.101 -17.126 -52.947 1.00 0.00 H ATOM 1529 HG22 VAL A 107 4.571 -17.886 -53.605 1.00 0.00 H ATOM 1530 HG23 VAL A 107 4.678 -16.829 -52.176 1.00 0.00 H ATOM 1531 H VAL A 107 5.297 -17.029 -56.371 1.00 0.00 H ATOM 1532 N THR A 108 2.474 -14.112 -56.307 1.00 20.17 N ATOM 1533 CA THR A 108 2.284 -12.873 -57.050 1.00 21.21 C ATOM 1534 C THR A 108 1.640 -11.824 -56.150 1.00 21.95 C ATOM 1535 O THR A 108 0.566 -12.049 -55.593 1.00 22.10 O ATOM 1536 CB THR A 108 1.429 -13.108 -58.320 1.00 21.78 C ATOM 1537 OG1 THR A 108 2.171 -13.902 -59.255 1.00 21.37 O ATOM 1538 CG2 THR A 108 1.046 -11.789 -58.983 1.00 23.08 C ATOM 1539 HA THR A 108 3.259 -12.510 -57.374 1.00 0.00 H ATOM 1540 HB THR A 108 0.516 -13.624 -58.022 1.00 0.00 H ATOM 1541 HG1 THR A 108 1.624 -14.052 -60.066 1.00 0.00 H ATOM 1542 HG23 THR A 108 0.481 -11.180 -58.277 1.00 0.00 H ATOM 1543 HG21 THR A 108 1.950 -11.258 -59.281 1.00 0.00 H ATOM 1544 HG22 THR A 108 0.434 -11.990 -59.862 1.00 0.00 H ATOM 1545 H THR A 108 1.653 -14.535 -55.829 1.00 0.00 H ATOM 1546 N VAL A 109 2.313 -10.683 -56.013 1.00 22.58 N ATOM 1547 CA VAL A 109 1.845 -9.574 -55.180 1.00 23.53 C ATOM 1548 C VAL A 109 1.071 -8.571 -56.042 1.00 24.91 C ATOM 1549 O VAL A 109 1.028 -8.701 -57.269 1.00 25.11 O ATOM 1550 CB VAL A 109 3.028 -8.873 -54.446 1.00 23.72 C ATOM 1551 CG1 VAL A 109 2.520 -7.955 -53.334 1.00 24.66 C ATOM 1552 CG2 VAL A 109 3.994 -9.903 -53.864 1.00 22.45 C ATOM 1553 HA VAL A 109 1.181 -9.976 -54.415 1.00 0.00 H ATOM 1554 HB VAL A 109 3.558 -8.268 -55.182 1.00 0.00 H ATOM 1555 HG11 VAL A 109 1.873 -7.190 -53.763 1.00 0.00 H ATOM 1556 HG12 VAL A 109 1.958 -8.542 -52.608 1.00 0.00 H ATOM 1557 HG13 VAL A 109 3.368 -7.480 -52.841 1.00 0.00 H ATOM 1558 HG21 VAL A 109 3.464 -10.535 -53.152 1.00 0.00 H ATOM 1559 HG22 VAL A 109 4.395 -10.518 -54.669 1.00 0.00 H ATOM 1560 HG23 VAL A 109 4.810 -9.388 -53.357 1.00 0.00 H ATOM 1561 H VAL A 109 3.214 -10.575 -56.522 1.00 0.00 H ATOM 1562 N LEU A 110 0.459 -7.579 -55.395 1.00 26.01 N ATOM 1563 CA LEU A 110 -0.378 -6.591 -56.071 1.00 27.54 C ATOM 1564 C LEU A 110 -0.160 -5.186 -55.511 1.00 28.94 C ATOM 1565 O LEU A 110 0.190 -4.257 -56.243 1.00 30.07 O ATOM 1566 CB LEU A 110 -1.853 -6.986 -55.950 1.00 27.83 C ATOM 1567 CG LEU A 110 -2.355 -8.104 -56.872 1.00 27.20 C ATOM 1568 CD1 LEU A 110 -3.478 -8.901 -56.217 1.00 27.02 C ATOM 1569 CD2 LEU A 110 -2.791 -7.543 -58.231 1.00 28.38 C ATOM 1570 HA LEU A 110 -0.092 -6.574 -57.123 1.00 0.00 H ATOM 1571 HB2 LEU A 110 -2.024 -7.306 -54.922 1.00 0.00 H ATOM 1572 HB3 LEU A 110 -2.449 -6.097 -56.157 1.00 0.00 H ATOM 1573 HG LEU A 110 -1.525 -8.789 -57.045 1.00 0.00 H ATOM 1574 HD21 LEU A 110 -3.596 -6.823 -58.084 1.00 0.00 H ATOM 1575 HD22 LEU A 110 -1.944 -7.050 -58.708 1.00 0.00 H ATOM 1576 HD23 LEU A 110 -3.142 -8.358 -58.864 1.00 0.00 H ATOM 1577 HD11 LEU A 110 -3.112 -9.350 -55.294 1.00 0.00 H ATOM 1578 HD12 LEU A 110 -4.312 -8.235 -55.993 1.00 0.00 H ATOM 1579 HD13 LEU A 110 -3.810 -9.685 -56.898 1.00 0.00 H ATOM 1580 H LEU A 110 0.583 -7.505 -54.365 1.00 0.00 H TER 1581 LEU A 110 HETATM 1582 O HOH 1 6.062 -14.672 -58.934 1.00 19.90 O HETATM 1583 O HOH 2 3.448 -30.197 -56.408 1.00 19.22 O HETATM 1584 O HOH 3 12.211 -8.339 -44.311 1.00 25.61 O HETATM 1585 O HOH 4 0.665 -24.957 -52.051 1.00 17.97 O HETATM 1586 O HOH 5 8.301 -15.862 -59.718 1.00 19.49 O HETATM 1587 O HOH 6 16.003 -16.611 -52.758 1.00 19.00 O HETATM 1588 O HOH 7 2.641 -27.091 -58.047 1.00 18.90 O HETATM 1589 O HOH 8 18.452 -37.952 -53.962 1.00 23.76 O HETATM 1590 O HOH 9 20.800 -12.192 -46.631 1.00 25.72 O HETATM 1591 O HOH 10 3.131 -22.106 -41.505 1.00 18.73 O HETATM 1592 O HOH 11 17.246 -11.085 -47.017 1.00 24.20 O HETATM 1593 O HOH 12 20.293 -15.448 -52.324 1.00 22.38 O HETATM 1594 O HOH 13 20.071 -19.512 -48.436 1.00 19.84 O HETATM 1595 O HOH 14 -1.299 -16.639 -58.511 1.00 21.43 O HETATM 1596 O HOH 15 14.991 -35.867 -42.321 1.00 21.26 O HETATM 1597 O HOH 16 16.267 -16.809 -55.565 1.00 19.58 O HETATM 1598 O HOH 17 10.419 -17.931 -38.544 1.00 20.28 O HETATM 1599 O HOH 18 10.874 -21.365 -61.152 1.00 18.59 O HETATM 1600 O HOH 19 23.359 -14.190 -57.282 1.00 27.23 O HETATM 1601 O HOH 20 -0.109 -28.272 -43.486 1.00 20.52 O HETATM 1602 O HOH 21 8.350 -9.861 -38.534 1.00 26.29 O HETATM 1603 O HOH 22 23.692 -33.029 -52.238 1.00 29.16 O HETATM 1604 O HOH 23 25.895 -29.167 -47.331 1.00 26.94 O HETATM 1605 O HOH 24 23.146 -32.379 -57.938 1.00 28.74 O HETATM 1606 O HOH 25 21.526 -30.173 -36.553 1.00 34.80 O HETATM 1607 N GLU A 26 23.588 -31.488 -37.893 1.00 0.24 N HETATM 1608 CA GLU A 26 23.828 -31.595 -39.364 1.00 0.07 C HETATM 1609 C GLU A 26 22.588 -31.232 -40.186 1.00 0.23 C HETATM 1610 O GLU A 26 22.580 -31.405 -41.407 1.00 -0.39 O HETATM 1611 N GLU A 26 21.553 -30.728 -39.513 1.00 -0.26 N HETATM 1612 CA GLU A 26 20.291 -30.350 -40.161 1.00 0.13 C HETATM 1613 C GLU A 26 20.478 -29.348 -41.296 1.00 0.20 C HETATM 1614 O GLU A 26 19.983 -29.564 -42.406 1.00 -0.39 O HETATM 1615 N GLU A 26 21.195 -28.262 -41.009 1.00 -0.26 N HETATM 1616 CA GLU A 26 21.437 -27.199 -41.982 1.00 0.13 C HETATM 1617 C GLU A 26 22.257 -27.686 -43.175 1.00 0.20 C HETATM 1618 O GLU A 26 21.948 -27.345 -44.320 1.00 -0.39 O HETATM 1619 N GLU A 26 23.294 -28.478 -42.899 1.00 -0.26 N HETATM 1620 CA GLU A 26 24.143 -29.057 -43.943 1.00 0.13 C HETATM 1621 C GLU A 26 23.332 -29.961 -44.874 1.00 0.20 C HETATM 1622 O GLU A 26 23.417 -29.836 -46.099 1.00 -0.39 O HETATM 1623 N GLU A 26 22.546 -30.857 -44.279 1.00 -0.26 N HETATM 1624 CA GLU A 26 21.694 -31.790 -45.019 1.00 0.13 C HETATM 1625 C GLU A 26 20.692 -31.036 -45.890 1.00 0.20 C HETATM 1626 O GLU A 26 20.365 -31.476 -46.992 1.00 -0.39 O HETATM 1627 N GLU A 26 20.224 -29.898 -45.383 1.00 -0.26 N HETATM 1628 CA GLU A 26 19.320 -29.006 -46.116 1.00 0.13 C HETATM 1629 C GLU A 26 19.993 -28.324 -47.313 1.00 0.20 C HETATM 1630 O GLU A 26 19.353 -28.099 -48.337 1.00 -0.39 O HETATM 1631 N GLU A 26 21.274 -27.987 -47.175 1.00 -0.26 N HETATM 1632 CA GLU A 26 22.052 -27.463 -48.298 1.00 0.14 C HETATM 1633 C GLU A 26 22.266 -28.535 -49.365 1.00 0.21 C HETATM 1634 O GLU A 26 22.296 -28.233 -50.558 1.00 -0.39 O HETATM 1635 N GLU A 26 22.404 -29.784 -48.925 1.00 -0.26 N HETATM 1636 CA GLU A 26 22.577 -30.920 -49.832 1.00 0.13 C HETATM 1637 C GLU A 26 21.306 -31.218 -50.632 1.00 0.20 C HETATM 1638 O GLU A 26 21.376 -31.748 -51.743 1.00 -0.39 O HETATM 1639 N GLU A 26 20.151 -30.874 -50.064 1.00 -0.26 N HETATM 1640 CA GLU A 26 18.878 -31.007 -50.765 1.00 0.15 C HETATM 1641 C GLU A 26 18.728 -29.926 -51.835 1.00 0.21 C HETATM 1642 O GLU A 26 18.105 -30.159 -52.870 1.00 -0.39 O HETATM 1643 N GLU A 26 19.305 -28.751 -51.581 1.00 -0.26 N HETATM 1644 CA GLU A 26 19.354 -27.678 -52.575 1.00 0.13 C HETATM 1645 C GLU A 26 20.290 -28.051 -53.726 1.00 0.20 C HETATM 1646 O GLU A 26 19.963 -27.825 -54.894 1.00 -0.39 O HETATM 1647 N GLU A 26 21.446 -28.622 -53.385 1.00 -0.26 N HETATM 1648 CA GLU A 26 22.409 -29.108 -54.371 1.00 0.13 C HETATM 1649 C GLU A 26 21.763 -30.136 -55.299 1.00 0.20 C HETATM 1650 O GLU A 26 21.953 -30.090 -56.514 1.00 -0.39 O HETATM 1651 N GLU A 26 21.000 -31.055 -54.710 1.00 -0.26 N HETATM 1652 CA GLU A 26 20.243 -32.052 -55.458 1.00 0.15 C HETATM 1653 C GLU A 26 19.120 -31.415 -56.279 1.00 0.21 C HETATM 1654 O GLU A 26 18.830 -31.866 -57.390 1.00 -0.39 O HETATM 1655 N GLU A 26 18.499 -30.372 -55.728 1.00 -0.26 N HETATM 1656 CA GLU A 26 17.400 -29.670 -56.397 1.00 0.14 C HETATM 1657 C GLU A 26 17.865 -28.914 -57.639 1.00 0.21 C HETATM 1658 O GLU A 26 17.362 -29.153 -58.737 1.00 -0.39 O HETATM 1659 N GLU A 26 18.821 -28.006 -57.460 1.00 -0.27 N HETATM 1660 CA GLU A 26 19.317 -27.200 -58.572 1.00 0.10 C HETATM 1661 C GLU A 26 20.363 -27.954 -59.388 1.00 0.06 C HETATM 1662 O GLU A 26 20.783 -27.504 -60.453 1.00 -0.57 O HETATM 1663 OXT GLU A 26 20.803 -29.038 -59.003 1.00 -0.57 O HETATM 1664 CB GLU A 26 19.855 -25.847 -58.083 1.00 -0.00 C HETATM 1665 CG GLU A 26 21.114 -25.901 -57.227 1.00 0.04 C HETATM 1666 CD GLU A 26 21.801 -24.550 -57.105 1.00 0.17 C HETATM 1667 OE1 GLU A 26 21.159 -23.501 -57.140 1.00 -0.40 O HETATM 1668 NE2 GLU A 26 23.118 -24.573 -56.958 1.00 -0.30 N HETATM 1669 H GLU A 26 23.637 -23.699 -56.869 1.00 0.18 H HETATM 1670 H GLU A 26 23.613 -25.465 -56.934 1.00 0.18 H HETATM 1671 H GLU A 26 21.812 -26.589 -57.703 1.00 0.05 H HETATM 1672 H GLU A 26 20.824 -26.220 -56.226 1.00 0.05 H HETATM 1673 H GLU A 26 19.075 -25.416 -57.455 1.00 0.03 H HETATM 1674 H GLU A 26 20.116 -25.279 -58.976 1.00 0.03 H HETATM 1675 H GLU A 26 18.474 -27.000 -59.233 1.00 0.07 H HETATM 1676 H GLU A 26 19.215 -27.870 -56.529 1.00 0.19 H HETATM 1677 CB GLU A 26 16.674 -28.723 -55.429 1.00 0.02 C HETATM 1678 CG GLU A 26 15.545 -27.944 -56.061 1.00 -0.04 C HETATM 1679 CD1 GLU A 26 15.571 -26.549 -56.079 1.00 -0.06 C HETATM 1680 CE1 GLU A 26 14.533 -25.820 -56.659 1.00 -0.07 C HETATM 1681 CZ GLU A 26 13.456 -26.488 -57.238 1.00 -0.07 C HETATM 1682 CE2 GLU A 26 13.421 -27.882 -57.231 1.00 -0.07 C HETATM 1683 CD2 GLU A 26 14.463 -28.601 -56.644 1.00 -0.06 C HETATM 1684 H GLU A 26 14.430 -29.691 -56.641 1.00 0.06 H HETATM 1685 H GLU A 26 12.581 -28.409 -57.683 1.00 0.06 H HETATM 1686 H GLU A 26 12.644 -25.923 -57.695 1.00 0.06 H HETATM 1687 H GLU A 26 14.564 -24.730 -56.659 1.00 0.06 H HETATM 1688 H GLU A 26 16.414 -26.021 -55.633 1.00 0.06 H HETATM 1689 H GLU A 26 17.407 -27.999 -55.075 1.00 0.05 H HETATM 1690 H GLU A 26 16.240 -29.338 -54.640 1.00 0.05 H HETATM 1691 H GLU A 26 16.697 -30.435 -56.727 1.00 0.08 H HETATM 1692 H GLU A 26 18.799 -30.051 -54.808 1.00 0.19 H HETATM 1693 CB GLU A 26 19.668 -33.103 -54.504 1.00 0.08 C HETATM 1694 OG GLU A 26 18.841 -34.028 -55.189 1.00 -0.39 O HETATM 1695 H GLU A 26 18.112 -33.559 -55.601 1.00 0.21 H HETATM 1696 H GLU A 26 19.067 -32.594 -53.751 1.00 0.06 H HETATM 1697 H GLU A 26 20.496 -33.649 -54.051 1.00 0.06 H HETATM 1698 H GLU A 26 20.929 -32.533 -56.155 1.00 0.08 H HETATM 1699 H GLU A 26 20.943 -31.062 -53.692 1.00 0.19 H HETATM 1700 CB GLU A 26 23.628 -29.723 -53.675 1.00 -0.01 C HETATM 1701 CG GLU A 26 24.783 -30.048 -54.610 1.00 -0.04 C HETATM 1702 CD GLU A 26 25.733 -31.060 -53.991 1.00 -0.01 C HETATM 1703 CE GLU A 26 26.666 -31.644 -55.041 1.00 -0.04 C HETATM 1704 NZ GLU A 26 27.436 -32.803 -54.517 1.00 0.22 N HETATM 1705 H GLU A 26 28.047 -33.163 -55.250 1.00 0.20 H HETATM 1706 H GLU A 26 27.998 -32.504 -53.721 1.00 0.20 H HETATM 1707 H GLU A 26 26.789 -33.534 -54.222 1.00 0.20 H HETATM 1708 H GLU A 26 27.374 -30.870 -55.337 1.00 0.08 H HETATM 1709 H GLU A 26 26.062 -31.987 -55.881 1.00 0.08 H HETATM 1710 H GLU A 26 25.147 -31.869 -53.555 1.00 0.03 H HETATM 1711 H GLU A 26 26.332 -30.558 -53.231 1.00 0.03 H HETATM 1712 H GLU A 26 25.337 -29.130 -54.807 1.00 0.03 H HETATM 1713 H GLU A 26 24.375 -30.473 -55.527 1.00 0.03 H HETATM 1714 H GLU A 26 23.303 -30.662 -53.228 1.00 0.03 H HETATM 1715 H GLU A 26 23.993 -28.988 -52.957 1.00 0.03 H HETATM 1716 H GLU A 26 22.737 -28.258 -54.969 1.00 0.08 H HETATM 1717 H GLU A 26 21.667 -28.724 -52.395 1.00 0.19 H HETATM 1718 CB GLU A 26 19.795 -26.353 -51.941 1.00 -0.01 C HETATM 1719 CG GLU A 26 19.790 -25.114 -52.851 1.00 -0.04 C HETATM 1720 CD1 GLU A 26 18.436 -24.417 -52.829 1.00 -0.06 C HETATM 1721 H GLU A 26 17.668 -25.107 -53.178 1.00 0.02 H HETATM 1722 H GLU A 26 18.208 -24.101 -51.811 1.00 0.02 H HETATM 1723 H GLU A 26 18.467 -23.545 -53.483 1.00 0.02 H HETATM 1724 CD2 GLU A 26 20.885 -24.142 -52.457 1.00 -0.06 C HETATM 1725 H GLU A 26 20.730 -23.820 -51.428 1.00 0.02 H HETATM 1726 H GLU A 26 21.854 -24.634 -52.543 1.00 0.02 H HETATM 1727 H GLU A 26 20.856 -23.276 -53.119 1.00 0.02 H HETATM 1728 H GLU A 26 19.982 -25.457 -53.867 1.00 0.03 H HETATM 1729 H GLU A 26 20.832 -26.497 -51.637 1.00 0.03 H HETATM 1730 H GLU A 26 19.075 -26.146 -51.149 1.00 0.03 H HETATM 1731 H GLU A 26 18.347 -27.547 -52.971 1.00 0.08 H HETATM 1732 H GLU A 26 19.726 -28.595 -50.665 1.00 0.19 H HETATM 1733 CB GLU A 26 17.699 -30.985 -49.786 1.00 0.08 C HETATM 1734 OG GLU A 26 17.539 -29.716 -49.176 1.00 -0.39 O HETATM 1735 H GLU A 26 18.337 -29.493 -48.691 1.00 0.21 H HETATM 1736 H GLU A 26 17.893 -31.718 -49.003 1.00 0.06 H HETATM 1737 H GLU A 26 16.790 -31.213 -50.342 1.00 0.06 H HETATM 1738 H GLU A 26 18.872 -31.976 -51.264 1.00 0.08 H HETATM 1739 H GLU A 26 20.157 -30.507 -49.112 1.00 0.19 H HETATM 1740 CB GLU A 26 23.031 -32.160 -49.061 1.00 -0.00 C HETATM 1741 CG GLU A 26 24.439 -32.052 -48.485 1.00 0.00 C HETATM 1742 CD GLU A 26 24.733 -33.123 -47.452 1.00 0.04 C HETATM 1743 OE1 GLU A 26 24.640 -34.323 -47.786 1.00 -0.57 O HETATM 1744 OE2 GLU A 26 25.063 -32.764 -46.302 1.00 -0.57 O HETATM 1745 H GLU A 26 24.527 -31.082 -47.995 1.00 0.04 H HETATM 1746 H GLU A 26 25.146 -32.175 -49.305 1.00 0.04 H HETATM 1747 H GLU A 26 23.032 -32.994 -49.763 1.00 0.03 H HETATM 1748 H GLU A 26 22.347 -32.287 -48.222 1.00 0.03 H HETATM 1749 H GLU A 26 23.352 -30.647 -50.548 1.00 0.08 H HETATM 1750 H GLU A 26 22.389 -29.956 -47.920 1.00 0.19 H HETATM 1751 CB GLU A 26 23.401 -26.898 -47.837 1.00 0.02 C HETATM 1752 CG GLU A 26 23.327 -25.486 -47.310 1.00 -0.04 C HETATM 1753 CD1 GLU A 26 23.767 -25.187 -46.023 1.00 -0.06 C HETATM 1754 CE1 GLU A 26 23.703 -23.882 -45.531 1.00 -0.07 C HETATM 1755 CZ GLU A 26 23.194 -22.861 -46.334 1.00 -0.07 C HETATM 1756 CE2 GLU A 26 22.754 -23.150 -47.623 1.00 -0.07 C HETATM 1757 CD2 GLU A 26 22.823 -24.455 -48.103 1.00 -0.06 C HETATM 1758 H GLU A 26 22.478 -24.674 -49.114 1.00 0.06 H HETATM 1759 H GLU A 26 22.356 -22.356 -48.255 1.00 0.06 H HETATM 1760 H GLU A 26 23.141 -21.841 -45.954 1.00 0.06 H HETATM 1761 H GLU A 26 24.050 -23.661 -44.522 1.00 0.06 H HETATM 1762 H GLU A 26 24.166 -25.981 -45.392 1.00 0.06 H HETATM 1763 H GLU A 26 24.060 -26.885 -48.705 1.00 0.05 H HETATM 1764 H GLU A 26 23.754 -27.529 -47.022 1.00 0.05 H HETATM 1765 H GLU A 26 21.476 -26.647 -48.734 1.00 0.08 H HETATM 1766 H GLU A 26 21.723 -28.097 -46.266 1.00 0.19 H HETATM 1767 CB GLU A 26 18.721 -27.967 -45.176 1.00 -0.02 C HETATM 1768 H GLU A 26 18.161 -28.471 -44.388 1.00 0.03 H HETATM 1769 H GLU A 26 19.522 -27.375 -44.733 1.00 0.03 H HETATM 1770 H GLU A 26 18.053 -27.314 -45.737 1.00 0.03 H HETATM 1771 H GLU A 26 18.523 -29.630 -46.520 1.00 0.08 H HETATM 1772 H GLU A 26 20.508 -29.634 -44.440 1.00 0.19 H HETATM 1773 CB GLU A 26 20.963 -32.728 -44.051 1.00 -0.01 C HETATM 1774 CG GLU A 26 20.450 -34.017 -44.684 1.00 -0.04 C HETATM 1775 CD GLU A 26 19.572 -34.807 -43.717 1.00 -0.01 C HETATM 1776 CE GLU A 26 19.091 -36.110 -44.346 1.00 -0.04 C HETATM 1777 NZ GLU A 26 18.228 -36.894 -43.420 1.00 0.22 N HETATM 1778 H GLU A 26 17.930 -37.754 -43.881 1.00 0.20 H HETATM 1779 H GLU A 26 18.756 -37.123 -42.578 1.00 0.20 H HETATM 1780 H GLU A 26 17.409 -36.340 -43.170 1.00 0.20 H HETATM 1781 H GLU A 26 19.966 -36.714 -44.589 1.00 0.08 H HETATM 1782 H GLU A 26 18.504 -35.864 -45.231 1.00 0.08 H HETATM 1783 H GLU A 26 18.702 -34.201 -43.464 1.00 0.03 H HETATM 1784 H GLU A 26 20.159 -35.045 -42.830 1.00 0.03 H HETATM 1785 H GLU A 26 21.308 -34.634 -44.953 1.00 0.03 H HETATM 1786 H GLU A 26 19.853 -33.758 -45.558 1.00 0.03 H HETATM 1787 H GLU A 26 20.093 -32.187 -43.679 1.00 0.03 H HETATM 1788 H GLU A 26 21.680 -33.014 -43.282 1.00 0.03 H HETATM 1789 H GLU A 26 22.329 -32.389 -45.672 1.00 0.08 H HETATM 1790 H GLU A 26 22.537 -30.895 -43.260 1.00 0.19 H HETATM 1791 CB GLU A 26 25.306 -29.843 -43.324 1.00 -0.00 C HETATM 1792 CG GLU A 26 26.366 -30.279 -44.327 1.00 -0.00 C HETATM 1793 SD GLU A 26 27.244 -31.777 -43.843 1.00 -0.16 S HETATM 1794 CE GLU A 26 28.256 -32.058 -45.296 1.00 -0.02 C HETATM 1795 H GLU A 26 27.612 -32.190 -46.166 1.00 0.03 H HETATM 1796 H GLU A 26 28.910 -31.200 -45.453 1.00 0.03 H HETATM 1797 H GLU A 26 28.859 -32.954 -45.149 1.00 0.03 H HETATM 1798 H GLU A 26 27.101 -29.477 -44.395 1.00 0.04 H HETATM 1799 H GLU A 26 25.859 -30.487 -45.269 1.00 0.04 H HETATM 1800 H GLU A 26 24.886 -30.748 -42.885 1.00 0.03 H HETATM 1801 H GLU A 26 25.794 -29.184 -42.605 1.00 0.03 H HETATM 1802 H GLU A 26 24.551 -28.236 -44.532 1.00 0.08 H HETATM 1803 H GLU A 26 23.504 -28.689 -41.923 1.00 0.19 H HETATM 1804 CB GLU A 26 22.114 -25.997 -41.310 1.00 -0.01 C HETATM 1805 CG GLU A 26 22.436 -24.747 -42.140 1.00 -0.04 C HETATM 1806 CD1 GLU A 26 21.200 -24.171 -42.826 1.00 -0.06 C HETATM 1807 H GLU A 26 20.775 -24.920 -43.494 1.00 0.02 H HETATM 1808 H GLU A 26 20.463 -23.895 -42.072 1.00 0.02 H HETATM 1809 H GLU A 26 21.483 -23.288 -43.400 1.00 0.02 H HETATM 1810 CD2 GLU A 26 23.101 -23.695 -41.268 1.00 -0.06 C HETATM 1811 H GLU A 26 22.429 -23.421 -40.455 1.00 0.02 H HETATM 1812 H GLU A 26 24.026 -24.098 -40.856 1.00 0.02 H HETATM 1813 H GLU A 26 23.324 -22.814 -41.870 1.00 0.02 H HETATM 1814 H GLU A 26 23.125 -25.049 -42.928 1.00 0.03 H HETATM 1815 H GLU A 26 23.085 -26.372 -40.988 1.00 0.03 H HETATM 1816 H GLU A 26 21.395 -25.656 -40.565 1.00 0.03 H HETATM 1817 H GLU A 26 20.467 -26.885 -42.367 1.00 0.08 H HETATM 1818 H GLU A 26 21.590 -28.169 -40.073 1.00 0.19 H HETATM 1819 CB GLU A 26 19.289 -29.795 -39.138 1.00 -0.01 C HETATM 1820 CG GLU A 26 18.497 -30.851 -38.379 1.00 -0.04 C HETATM 1821 CD GLU A 26 17.434 -31.493 -39.258 1.00 -0.01 C HETATM 1822 CE GLU A 26 16.806 -32.700 -38.581 1.00 -0.04 C HETATM 1823 NZ GLU A 26 15.989 -33.481 -39.546 1.00 0.22 N HETATM 1824 H GLU A 26 15.579 -34.284 -39.070 1.00 0.20 H HETATM 1825 H GLU A 26 15.246 -32.889 -39.918 1.00 0.20 H HETATM 1826 H GLU A 26 16.583 -33.804 -40.310 1.00 0.20 H HETATM 1827 H GLU A 26 16.161 -32.354 -37.774 1.00 0.08 H HETATM 1828 H GLU A 26 17.600 -33.339 -38.195 1.00 0.08 H HETATM 1829 H GLU A 26 17.905 -31.823 -40.184 1.00 0.03 H HETATM 1830 H GLU A 26 16.652 -30.758 -39.447 1.00 0.03 H HETATM 1831 H GLU A 26 18.002 -30.370 -37.535 1.00 0.03 H HETATM 1832 H GLU A 26 19.187 -31.628 -38.050 1.00 0.03 H HETATM 1833 H GLU A 26 18.567 -29.199 -39.695 1.00 0.03 H HETATM 1834 H GLU A 26 19.867 -29.242 -38.398 1.00 0.03 H HETATM 1835 H GLU A 26 19.894 -31.266 -40.599 1.00 0.08 H HETATM 1836 H GLU A 26 21.642 -30.600 -38.505 1.00 0.19 H HETATM 1837 CB GLU A 26 24.314 -33.003 -39.731 1.00 0.02 C HETATM 1838 CG GLU A 26 25.745 -33.311 -39.298 1.00 0.01 C HETATM 1839 CD GLU A 26 26.200 -34.704 -39.706 1.00 0.04 C HETATM 1840 OE1 GLU A 26 26.289 -34.979 -40.922 1.00 -0.57 O HETATM 1841 OE2 GLU A 26 26.479 -35.524 -38.806 1.00 -0.57 O HETATM 1842 H GLU A 26 25.783 -33.254 -38.210 1.00 0.04 H HETATM 1843 H GLU A 26 26.402 -32.590 -39.784 1.00 0.04 H HETATM 1844 H GLU A 26 24.287 -33.077 -40.818 1.00 0.04 H HETATM 1845 H GLU A 26 23.665 -33.710 -39.214 1.00 0.04 H HETATM 1846 H GLU A 26 24.605 -30.871 -39.612 1.00 0.11 H HETATM 1847 H GLU A 26 23.266 -30.546 -37.670 1.00 0.20 H HETATM 1848 H GLU A 26 22.878 -32.166 -37.615 1.00 0.20 H HETATM 1849 H GLU A 26 24.456 -31.679 -37.393 1.00 0.20 H CONECT 1607 1608 1847 1848 1849 CONECT 1608 1607 1609 1837 1846 CONECT 1609 1608 1610 1611 CONECT 1610 1609 CONECT 1611 1609 1612 1836 CONECT 1612 1611 1613 1819 1835 CONECT 1613 1612 1614 1615 CONECT 1614 1613 CONECT 1615 1613 1616 1818 CONECT 1616 1615 1617 1804 1817 CONECT 1617 1616 1618 1619 CONECT 1618 1617 CONECT 1619 1617 1620 1803 CONECT 1620 1619 1621 1791 1802 CONECT 1621 1620 1622 1623 CONECT 1622 1621 CONECT 1623 1621 1624 1790 CONECT 1624 1623 1625 1773 1789 CONECT 1625 1624 1626 1627 CONECT 1626 1625 CONECT 1627 1625 1628 1772 CONECT 1628 1627 1629 1767 1771 CONECT 1629 1628 1630 1631 CONECT 1630 1629 CONECT 1631 1629 1632 1766 CONECT 1632 1631 1633 1751 1765 CONECT 1633 1632 1634 1635 CONECT 1634 1633 CONECT 1635 1633 1636 1750 CONECT 1636 1635 1637 1740 1749 CONECT 1637 1636 1638 1639 CONECT 1638 1637 CONECT 1639 1637 1640 1739 CONECT 1640 1639 1641 1733 1738 CONECT 1641 1640 1642 1643 CONECT 1642 1641 CONECT 1643 1641 1644 1732 CONECT 1644 1643 1645 1718 1731 CONECT 1645 1644 1646 1647 CONECT 1646 1645 CONECT 1647 1645 1648 1717 CONECT 1648 1647 1649 1700 1716 CONECT 1649 1648 1650 1651 CONECT 1650 1649 CONECT 1651 1649 1652 1699 CONECT 1652 1651 1653 1693 1698 CONECT 1653 1652 1654 1655 CONECT 1654 1653 CONECT 1655 1653 1656 1692 CONECT 1656 1655 1657 1677 1691 CONECT 1657 1656 1658 1659 CONECT 1658 1657 CONECT 1659 1657 1660 1676 CONECT 1660 1659 1661 1664 1675 CONECT 1661 1660 1662 1663 CONECT 1662 1661 CONECT 1663 1661 CONECT 1664 1660 1665 1673 1674 CONECT 1665 1664 1666 1671 1672 CONECT 1666 1665 1667 1668 CONECT 1667 1666 CONECT 1668 1666 1669 1670 CONECT 1669 1668 CONECT 1670 1668 CONECT 1671 1665 CONECT 1672 1665 CONECT 1673 1664 CONECT 1674 1664 CONECT 1675 1660 CONECT 1676 1659 CONECT 1677 1656 1678 1689 1690 CONECT 1678 1677 1679 1683 CONECT 1679 1678 1680 1688 CONECT 1680 1679 1681 1687 CONECT 1681 1680 1682 1686 CONECT 1682 1681 1683 1685 CONECT 1683 1678 1682 1684 CONECT 1684 1683 CONECT 1685 1682 CONECT 1686 1681 CONECT 1687 1680 CONECT 1688 1679 CONECT 1689 1677 CONECT 1690 1677 CONECT 1691 1656 CONECT 1692 1655 CONECT 1693 1652 1694 1696 1697 CONECT 1694 1693 1695 CONECT 1695 1694 CONECT 1696 1693 CONECT 1697 1693 CONECT 1698 1652 CONECT 1699 1651 CONECT 1700 1648 1701 1714 1715 CONECT 1701 1700 1702 1712 1713 CONECT 1702 1701 1703 1710 1711 CONECT 1703 1702 1704 1708 1709 CONECT 1704 1703 1705 1706 1707 CONECT 1705 1704 CONECT 1706 1704 CONECT 1707 1704 CONECT 1708 1703 CONECT 1709 1703 CONECT 1710 1702 CONECT 1711 1702 CONECT 1712 1701 CONECT 1713 1701 CONECT 1714 1700 CONECT 1715 1700 CONECT 1716 1648 CONECT 1717 1647 CONECT 1718 1644 1719 1729 1730 CONECT 1719 1718 1720 1724 1728 CONECT 1720 1719 1721 1722 1723 CONECT 1721 1720 CONECT 1722 1720 CONECT 1723 1720 CONECT 1724 1719 1725 1726 1727 CONECT 1725 1724 CONECT 1726 1724 CONECT 1727 1724 CONECT 1728 1719 CONECT 1729 1718 CONECT 1730 1718 CONECT 1731 1644 CONECT 1732 1643 CONECT 1733 1640 1734 1736 1737 CONECT 1734 1733 1735 CONECT 1735 1734 CONECT 1736 1733 CONECT 1737 1733 CONECT 1738 1640 CONECT 1739 1639 CONECT 1740 1636 1741 1747 1748 CONECT 1741 1740 1742 1745 1746 CONECT 1742 1741 1743 1744 CONECT 1743 1742 CONECT 1744 1742 CONECT 1745 1741 CONECT 1746 1741 CONECT 1747 1740 CONECT 1748 1740 CONECT 1749 1636 CONECT 1750 1635 CONECT 1751 1632 1752 1763 1764 CONECT 1752 1751 1753 1757 CONECT 1753 1752 1754 1762 CONECT 1754 1753 1755 1761 CONECT 1755 1754 1756 1760 CONECT 1756 1755 1757 1759 CONECT 1757 1752 1756 1758 CONECT 1758 1757 CONECT 1759 1756 CONECT 1760 1755 CONECT 1761 1754 CONECT 1762 1753 CONECT 1763 1751 CONECT 1764 1751 CONECT 1765 1632 CONECT 1766 1631 CONECT 1767 1628 1768 1769 1770 CONECT 1768 1767 CONECT 1769 1767 CONECT 1770 1767 CONECT 1771 1628 CONECT 1772 1627 CONECT 1773 1624 1774 1787 1788 CONECT 1774 1773 1775 1785 1786 CONECT 1775 1774 1776 1783 1784 CONECT 1776 1775 1777 1781 1782 CONECT 1777 1776 1778 1779 1780 CONECT 1778 1777 CONECT 1779 1777 CONECT 1780 1777 CONECT 1781 1776 CONECT 1782 1776 CONECT 1783 1775 CONECT 1784 1775 CONECT 1785 1774 CONECT 1786 1774 CONECT 1787 1773 CONECT 1788 1773 CONECT 1789 1624 CONECT 1790 1623 CONECT 1791 1620 1792 1800 1801 CONECT 1792 1791 1793 1798 1799 CONECT 1793 1792 1794 CONECT 1794 1793 1795 1796 1797 CONECT 1795 1794 CONECT 1796 1794 CONECT 1797 1794 CONECT 1798 1792 CONECT 1799 1792 CONECT 1800 1791 CONECT 1801 1791 CONECT 1802 1620 CONECT 1803 1619 CONECT 1804 1616 1805 1815 1816 CONECT 1805 1804 1806 1810 1814 CONECT 1806 1805 1807 1808 1809 CONECT 1807 1806 CONECT 1808 1806 CONECT 1809 1806 CONECT 1810 1805 1811 1812 1813 CONECT 1811 1810 CONECT 1812 1810 CONECT 1813 1810 CONECT 1814 1805 CONECT 1815 1804 CONECT 1816 1804 CONECT 1817 1616 CONECT 1818 1615 CONECT 1819 1612 1820 1833 1834 CONECT 1820 1819 1821 1831 1832 CONECT 1821 1820 1822 1829 1830 CONECT 1822 1821 1823 1827 1828 CONECT 1823 1822 1824 1825 1826 CONECT 1824 1823 CONECT 1825 1823 CONECT 1826 1823 CONECT 1827 1822 CONECT 1828 1822 CONECT 1829 1821 CONECT 1830 1821 CONECT 1831 1820 CONECT 1832 1820 CONECT 1833 1819 CONECT 1834 1819 CONECT 1835 1612 CONECT 1836 1611 CONECT 1837 1608 1838 1844 1845 CONECT 1838 1837 1839 1842 1843 CONECT 1839 1838 1840 1841 CONECT 1840 1839 CONECT 1841 1839 CONECT 1842 1838 CONECT 1843 1838 CONECT 1844 1837 CONECT 1845 1837 CONECT 1846 1608 CONECT 1847 1607 CONECT 1848 1607 CONECT 1849 1607 MASTER 0 0 0 0 0 0 0 0 1848 1 243 9 END
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Entry Information
PDB ID
3lrh
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
anti-huntingtin VL domain, alpha-Htt-VL
Ligand Name
14-mer
EC.Number
E.C.-.-.-.-
Resolution
2.6(Å)
Affinity (Kd/Ki/IC50)
Kd=45nM
Release Year
2011
Protein/NA Sequence
Check fasta file
Primary Reference
(2011) J.Mol.Biol. Vol. 414: pp. 337-355
Ligand Properties
Formula
C
7
7
H
1
2
8
N
1
8
O
2
2
S
Molecular Weight
1690.010
Exact Mass
1688.920
No. of atoms
246
No. of bonds
247
Polar Surface Area
709.61
LOGP Value
-5.62 (
Computed with XLOGP3
)
-1.67 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 20
No. of Hydrogen Bond Acceptors: 22
No. of Rotatable Bonds: 73
No. of Nitrogen and Oxygen Atoms: 40
No. of Rings: 2
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCC(=O)N)Cc1ccccc1)CO)CCCC[NH3+])CC(C)C)CO)CCC(=O)O)Cc1ccccc1)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)[NH3+])CCCC[NH3+])CC(C)C)CCSC
InChI String
InChI=1S/C77H124N18O22S/c1-43(2)37-55(91-67(106)50(24-14-17-34-79)84-65(104)48(81)26-30-62(99)100)72(111)88-53(32-36-118-6)70(109)85-49(23-13-16-33-78)66(105)83-45(5)64(103)90-57(39-46-19-9-7-10-20-46)73(112)87-52(28-31-63(101)102)69(108)95-59(41-96)75(114)92-56(38-44(3)4)71(110)86-51(25-15-18-35-80)68(107)94-60(42-97)76(115)93-58(40-47-21-11-8-12-22-47)74(113)89-54(77(116)117)27-29-61(82)98/h7-12,19-22,43-45,48-60,96-97H,13-18,23-42,78-81H2,1-6H3,(H2,82,98)(H,83,105)(H,84,104)(H,85,109)(H,86,110)(H,87,112)(H,88,111)(H,89,113)(H,90,103)(H,91,106)(H,92,114)(H,93,115)(H,94,107)(H,95,108)(H,99,100)(H,101,102)(H,116,117)/p+4/t45-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-/m0/s1
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UniProtKB AC
UniProt accession number (AC):
P42858
Entrez Gene ID
NCBI Entrez Gene ID:
3064
ASD
Information of known allosteric effects of PDB entries
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