Browse entries in the PDBbind-CN Database
HEADER 5ZNR_COMPLEX COMPND 5ZNR_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 181 PRO ARG ARG THR LEU ASP SER TYR THR VAL LYS PRO ILE SEQRES 2 A 181 ASN LYS THR VAL LYS PRO GLY ASP CYS VAL LEU MET ARG SEQRES 3 A 181 PRO SER ASP PRO SER LYS PRO SER TYR VAL ALA LYS ILE SEQRES 4 A 181 GLU ARG ILE GLU SER ASP GLY ARG GLY PRO ASN VAL ARG SEQRES 5 A 181 VAL ARG VAL ARG TRP TYR TYR ARG PRO GLU GLU SER ILE SEQRES 6 A 181 GLY GLY ARG ARG GLN PHE HIS GLY SER LYS GLU VAL PHE SEQRES 7 A 181 LEU SER ASP HIS TYR ASP THR GLN SER ALA ASP THR ILE SEQRES 8 A 181 GLU GLY LYS CYS MET VAL HIS SER PHE LYS ASN TYR THR SEQRES 9 A 181 LYS LEU ASP ALA VAL GLY ASN ASP ASP PHE PHE CYS ARG SEQRES 10 A 181 PHE GLU TYR ASN SER SER THR GLY ALA PHE ASN PRO ASP SEQRES 11 A 181 ARG VAL ALA VAL TYR CYS LYS CYS GLU MET PRO TYR ASN SEQRES 12 A 181 PRO ASP ASP LEU MET VAL GLN CYS GLU GLY CYS SER ASP SEQRES 13 A 181 TRP PHE HIS PRO ALA CYS ILE GLU MET SER ALA GLU GLU SEQRES 14 A 181 ALA LYS ARG LEU ASP HIS PHE PHE CYS GLU ASN CYS HET ZN A 1 1 HET ZN A 2 1 HET ALA A 184 235 ATOM 1 N PRO A 7 -26.186 23.724 -35.988 1.00113.58 N ATOM 2 CA PRO A 7 -26.962 23.988 -34.774 1.00114.23 C ATOM 3 C PRO A 7 -26.327 23.338 -33.547 1.00123.32 C ATOM 4 O PRO A 7 -27.020 22.879 -32.652 1.00128.20 O ATOM 5 CB PRO A 7 -28.326 23.358 -35.085 1.00112.33 C ATOM 6 CG PRO A 7 -28.239 22.818 -36.480 1.00108.32 C ATOM 7 CD PRO A 7 -27.051 23.428 -37.134 1.00105.83 C ATOM 8 HN2 PRO A 7 -25.561 22.910 -35.818 1.00 0.00 H ATOM 9 HN1 PRO A 7 -25.610 24.561 -36.208 1.00 0.00 H ATOM 10 N ARG A 8 -25.003 23.346 -33.505 1.00127.79 N ATOM 11 CA ARG A 8 -24.227 22.616 -32.515 1.00129.77 C ATOM 12 C ARG A 8 -24.539 23.084 -31.124 1.00129.30 C ATOM 13 O ARG A 8 -24.713 24.270 -30.909 1.00132.90 O ATOM 14 CB ARG A 8 -22.753 22.912 -32.734 1.00131.64 C ATOM 15 CG ARG A 8 -22.404 24.379 -32.506 1.00136.14 C ATOM 16 CD ARG A 8 -20.998 24.550 -31.973 1.00135.69 C ATOM 17 NE ARG A 8 -21.011 25.175 -30.661 1.00139.10 N ATOM 18 CZ ARG A 8 -20.447 26.345 -30.375 1.00141.92 C ATOM 19 NH1 ARG A 8 -19.812 27.033 -31.315 1.00143.81 N ATOM 20 NH2 ARG A 8 -20.517 26.829 -29.142 1.00142.26 N ATOM 21 HE ARG A 8 -21.496 24.671 -29.891 1.00 0.00 H ATOM 22 HH12 ARG A 8 -19.373 27.947 -31.084 1.00 0.00 H ATOM 23 HH11 ARG A 8 -19.753 26.658 -32.283 1.00 0.00 H ATOM 24 HH22 ARG A 8 -20.077 27.744 -28.917 1.00 0.00 H ATOM 25 HH21 ARG A 8 -21.012 26.294 -28.401 1.00 0.00 H ATOM 26 H ARG A 8 -24.491 23.904 -34.218 1.00 0.00 H ATOM 27 N ARG A 9 -24.592 22.162 -30.175 1.00125.73 N ATOM 28 CA ARG A 9 -24.828 22.543 -28.797 1.00113.04 C ATOM 29 C ARG A 9 -23.856 21.876 -27.860 1.00100.87 C ATOM 30 O ARG A 9 -23.598 20.713 -28.004 1.00 95.26 O ATOM 31 CB ARG A 9 -26.229 22.147 -28.406 1.00111.66 C ATOM 32 CG ARG A 9 -26.633 20.812 -28.967 1.00107.07 C ATOM 33 CD ARG A 9 -27.115 19.913 -27.862 1.00105.48 C ATOM 34 NE ARG A 9 -26.727 18.548 -28.130 1.00106.26 N ATOM 35 CZ ARG A 9 -27.469 17.689 -28.807 1.00109.73 C ATOM 36 NH1 ARG A 9 -28.653 18.062 -29.262 1.00110.52 N ATOM 37 NH2 ARG A 9 -27.027 16.456 -29.016 1.00110.64 N ATOM 38 HE ARG A 9 -25.808 18.221 -27.768 1.00 0.00 H ATOM 39 HH12 ARG A 9 -29.241 17.390 -29.795 1.00 0.00 H ATOM 40 HH11 ARG A 9 -28.997 19.028 -29.087 1.00 0.00 H ATOM 41 HH22 ARG A 9 -27.609 15.778 -29.548 1.00 0.00 H ATOM 42 HH21 ARG A 9 -26.098 16.167 -28.647 1.00 0.00 H ATOM 43 H ARG A 9 -24.464 21.159 -30.420 1.00 0.00 H ATOM 44 N THR A 10 -23.352 22.597 -26.874 1.00102.56 N ATOM 45 CA THR A 10 -22.397 22.042 -25.945 1.00 94.22 C ATOM 46 C THR A 10 -23.027 20.924 -25.183 1.00 76.84 C ATOM 47 O THR A 10 -24.171 21.023 -24.823 1.00 79.84 O ATOM 48 CB THR A 10 -22.030 23.083 -24.902 1.00 89.82 C ATOM 49 OG1 THR A 10 -23.018 24.105 -24.915 1.00 93.10 O ATOM 50 CG2 THR A 10 -20.724 23.714 -25.223 1.00 84.15 C ATOM 51 HG1 THR A 10 -22.790 24.791 -24.239 1.00 0.00 H ATOM 52 H THR A 10 -23.650 23.587 -26.765 1.00 0.00 H ATOM 53 N LEU A 11 -22.266 19.868 -24.920 1.00 80.39 N ATOM 54 CA LEU A 11 -22.753 18.711 -24.172 1.00 81.72 C ATOM 55 C LEU A 11 -22.300 18.670 -22.726 1.00 84.53 C ATOM 56 O LEU A 11 -21.279 19.224 -22.367 1.00 83.80 O ATOM 57 CB LEU A 11 -22.321 17.411 -24.828 1.00 74.37 C ATOM 58 CG LEU A 11 -22.759 17.218 -26.261 1.00 76.50 C ATOM 59 CD1 LEU A 11 -22.680 15.772 -26.656 1.00 73.09 C ATOM 60 CD2 LEU A 11 -24.163 17.710 -26.445 1.00 80.96 C ATOM 61 H LEU A 11 -21.283 19.864 -25.260 1.00 0.00 H ATOM 62 N ASP A 12 -23.091 18.002 -21.905 1.00 74.84 N ATOM 63 CA ASP A 12 -22.749 17.725 -20.529 1.00 72.47 C ATOM 64 C ASP A 12 -21.689 16.666 -20.374 1.00 69.49 C ATOM 65 O ASP A 12 -20.811 16.776 -19.552 1.00 67.85 O ATOM 66 CB ASP A 12 -23.974 17.276 -19.780 1.00 75.38 C ATOM 67 CG ASP A 12 -24.038 17.852 -18.417 1.00 83.17 C ATOM 68 OD1 ASP A 12 -23.918 19.073 -18.282 1.00 90.17 O ATOM 69 OD2 ASP A 12 -24.219 17.095 -17.463 1.00 83.90 O ATOM 70 H ASP A 12 -24.004 17.659 -22.267 1.00 0.00 H ATOM 71 N SER A 13 -21.820 15.606 -21.146 1.00 74.00 N ATOM 72 CA SER A 13 -20.948 14.472 -21.051 1.00 70.29 C ATOM 73 C SER A 13 -21.142 13.711 -22.322 1.00 75.66 C ATOM 74 O SER A 13 -22.150 13.884 -22.950 1.00 82.34 O ATOM 75 CB SER A 13 -21.422 13.620 -19.921 1.00 68.23 C ATOM 76 OG SER A 13 -22.734 13.217 -20.201 1.00 71.71 O ATOM 77 HG SER A 13 -22.746 12.702 -21.046 1.00 0.00 H ATOM 78 H SER A 13 -22.585 15.592 -21.851 1.00 0.00 H ATOM 79 N TYR A 14 -20.186 12.869 -22.679 1.00 74.46 N ATOM 80 CA TYR A 14 -20.314 12.015 -23.841 1.00 71.98 C ATOM 81 C TYR A 14 -19.838 10.641 -23.442 1.00 73.50 C ATOM 82 O TYR A 14 -18.993 10.508 -22.570 1.00 73.09 O ATOM 83 CB TYR A 14 -19.472 12.555 -24.985 1.00 69.17 C ATOM 84 CG TYR A 14 -19.482 11.716 -26.235 1.00 68.61 C ATOM 85 CD1 TYR A 14 -20.668 11.272 -26.792 1.00 70.76 C ATOM 86 CD2 TYR A 14 -18.300 11.379 -26.866 1.00 66.38 C ATOM 87 CE1 TYR A 14 -20.671 10.507 -27.941 1.00 72.68 C ATOM 88 CE2 TYR A 14 -18.294 10.616 -28.011 1.00 67.79 C ATOM 89 CZ TYR A 14 -19.479 10.183 -28.543 1.00 70.60 C ATOM 90 OH TYR A 14 -19.460 9.425 -29.685 1.00 69.22 O ATOM 91 HH TYR A 14 -20.388 9.193 -29.941 1.00 0.00 H ATOM 92 H TYR A 14 -19.318 12.819 -22.109 1.00 0.00 H ATOM 93 N THR A 15 -20.383 9.612 -24.067 1.00 72.54 N ATOM 94 CA THR A 15 -19.975 8.268 -23.724 1.00 73.02 C ATOM 95 C THR A 15 -19.147 7.756 -24.847 1.00 75.71 C ATOM 96 O THR A 15 -19.606 7.724 -25.994 1.00 76.28 O ATOM 97 CB THR A 15 -21.172 7.342 -23.538 1.00 73.34 C ATOM 98 OG1 THR A 15 -21.892 7.250 -24.770 1.00 79.80 O ATOM 99 CG2 THR A 15 -22.077 7.901 -22.472 1.00 72.89 C ATOM 100 HG1 THR A 15 -21.297 6.887 -25.473 1.00 0.00 H ATOM 101 H THR A 15 -21.102 9.768 -24.802 1.00 0.00 H ATOM 102 N VAL A 16 -17.929 7.317 -24.619 1.00 78.71 N ATOM 103 CA VAL A 16 -17.188 6.824 -25.768 1.00 84.46 C ATOM 104 C VAL A 16 -17.200 5.305 -25.835 1.00 96.94 C ATOM 105 O VAL A 16 -16.587 4.626 -25.017 1.00101.60 O ATOM 106 CB VAL A 16 -15.748 7.304 -25.747 1.00 75.24 C ATOM 107 CG1 VAL A 16 -15.100 7.054 -27.086 1.00 73.48 C ATOM 108 CG2 VAL A 16 -15.722 8.772 -25.433 1.00 72.06 C ATOM 109 H VAL A 16 -17.516 7.322 -23.664 1.00 0.00 H ATOM 110 N LYS A 17 -17.921 4.824 -26.840 1.00 94.96 N ATOM 111 CA LYS A 17 -18.243 3.422 -27.004 1.00 99.71 C ATOM 112 C LYS A 17 -17.039 2.512 -27.148 1.00 98.79 C ATOM 113 O LYS A 17 -16.995 1.459 -26.512 1.00103.57 O ATOM 114 CB LYS A 17 -19.180 3.232 -28.201 1.00104.83 C ATOM 115 CG LYS A 17 -19.899 1.894 -28.220 1.00110.11 C ATOM 116 CD LYS A 17 -19.075 0.834 -28.933 1.00110.46 C ATOM 117 CE LYS A 17 -19.918 -0.384 -29.275 1.00113.68 C ATOM 118 NZ LYS A 17 -20.573 -0.962 -28.069 1.00114.74 N ATOM 119 HZ1 LYS A 17 -19.845 -1.251 -27.385 1.00 0.00 H ATOM 120 HZ2 LYS A 17 -21.192 -0.247 -27.636 1.00 0.00 H ATOM 121 HZ3 LYS A 17 -21.138 -1.790 -28.346 1.00 0.00 H ATOM 122 H LYS A 17 -18.276 5.494 -27.552 1.00 0.00 H ATOM 123 N PRO A 18 -16.067 2.868 -27.985 1.00 96.84 N ATOM 124 CA PRO A 18 -15.045 1.848 -28.251 1.00 90.57 C ATOM 125 C PRO A 18 -14.257 1.591 -27.009 1.00 85.78 C ATOM 126 O PRO A 18 -13.976 0.469 -26.659 1.00 88.17 O ATOM 127 CB PRO A 18 -14.167 2.490 -29.301 1.00 86.07 C ATOM 128 CG PRO A 18 -15.099 3.305 -30.090 1.00 85.02 C ATOM 129 CD PRO A 18 -15.854 3.991 -29.020 1.00 89.13 C ATOM 130 N ILE A 19 -13.966 2.660 -26.316 1.00 84.65 N ATOM 131 CA ILE A 19 -13.590 2.644 -24.930 1.00 87.70 C ATOM 132 C ILE A 19 -14.745 2.199 -24.056 1.00 89.28 C ATOM 133 O ILE A 19 -14.561 1.567 -23.038 1.00 86.87 O ATOM 134 CB ILE A 19 -13.108 4.027 -24.510 1.00 89.75 C ATOM 135 CG1 ILE A 19 -12.267 4.671 -25.612 1.00 89.39 C ATOM 136 CG2 ILE A 19 -12.327 3.935 -23.223 1.00 92.78 C ATOM 137 CD1 ILE A 19 -11.389 3.714 -26.385 1.00 90.98 C ATOM 138 H ILE A 19 -14.009 3.580 -26.799 1.00 0.00 H ATOM 139 N ASN A 20 -15.943 2.581 -24.449 1.00 90.64 N ATOM 140 CA ASN A 20 -17.105 2.373 -23.618 1.00 92.59 C ATOM 141 C ASN A 20 -17.002 3.054 -22.280 1.00 88.14 C ATOM 142 O ASN A 20 -17.318 2.472 -21.257 1.00 82.46 O ATOM 143 CB ASN A 20 -17.404 0.893 -23.447 1.00 99.56 C ATOM 144 CG ASN A 20 -18.883 0.626 -23.237 1.00104.61 C ATOM 145 OD1 ASN A 20 -19.596 1.468 -22.709 1.00105.22 O ATOM 146 ND2 ASN A 20 -19.348 -0.544 -23.659 1.00105.24 N ATOM 147 HD22 ASN A 20 -18.704 -1.230 -24.103 1.00 0.00 H ATOM 148 HD21 ASN A 20 -20.356 -0.774 -23.546 1.00 0.00 H ATOM 149 H ASN A 20 -16.054 3.041 -25.375 1.00 0.00 H ATOM 150 N LYS A 21 -16.530 4.294 -22.306 1.00 84.06 N ATOM 151 CA LYS A 21 -16.609 5.189 -21.153 1.00 82.49 C ATOM 152 C LYS A 21 -17.114 6.610 -21.467 1.00 80.63 C ATOM 153 O LYS A 21 -17.056 7.068 -22.594 1.00 81.24 O ATOM 154 CB LYS A 21 -15.297 5.227 -20.382 1.00 80.54 C ATOM 155 CG LYS A 21 -15.499 5.283 -18.877 1.00 84.61 C ATOM 156 CD LYS A 21 -16.629 6.224 -18.495 1.00 83.97 C ATOM 157 CE LYS A 21 -17.822 5.446 -17.980 1.00 87.22 C ATOM 158 NZ LYS A 21 -17.471 4.640 -16.790 1.00 89.47 N ATOM 159 HZ1 LYS A 21 -16.720 3.965 -17.039 1.00 0.00 H ATOM 160 HZ2 LYS A 21 -17.136 5.269 -16.033 1.00 0.00 H ATOM 161 HZ3 LYS A 21 -18.311 4.121 -16.464 1.00 0.00 H ATOM 162 H LYS A 21 -16.087 4.642 -23.180 1.00 0.00 H ATOM 163 N THR A 22 -17.648 7.280 -20.463 1.00 75.06 N ATOM 164 CA THR A 22 -18.262 8.583 -20.643 1.00 71.62 C ATOM 165 C THR A 22 -17.349 9.630 -20.057 1.00 77.33 C ATOM 166 O THR A 22 -16.695 9.374 -19.056 1.00 83.81 O ATOM 167 CB THR A 22 -19.626 8.660 -19.942 1.00 64.33 C ATOM 168 OG1 THR A 22 -19.437 8.841 -18.534 1.00 62.92 O ATOM 169 CG2 THR A 22 -20.415 7.388 -20.181 1.00 63.79 C ATOM 170 HG1 THR A 22 -18.938 9.681 -18.374 1.00 0.00 H ATOM 171 H THR A 22 -17.628 6.861 -19.512 1.00 0.00 H ATOM 172 N VAL A 23 -17.275 10.800 -20.680 1.00 74.89 N ATOM 173 CA VAL A 23 -16.323 11.786 -20.223 1.00 69.57 C ATOM 174 C VAL A 23 -17.002 13.110 -20.055 1.00 68.09 C ATOM 175 O VAL A 23 -18.019 13.344 -20.625 1.00 72.92 O ATOM 176 CB VAL A 23 -15.197 11.953 -21.209 1.00 66.42 C ATOM 177 CG1 VAL A 23 -14.513 10.635 -21.412 1.00 66.91 C ATOM 178 CG2 VAL A 23 -15.750 12.422 -22.523 1.00 68.93 C ATOM 179 H VAL A 23 -17.896 11.005 -21.489 1.00 0.00 H ATOM 180 N LYS A 24 -16.416 13.976 -19.270 1.00 66.89 N ATOM 181 CA LYS A 24 -17.014 15.251 -18.922 1.00 61.83 C ATOM 182 C LYS A 24 -15.985 16.353 -19.128 1.00 58.88 C ATOM 183 O LYS A 24 -14.785 16.095 -19.058 1.00 53.66 O ATOM 184 CB LYS A 24 -17.506 15.227 -17.474 1.00 60.92 C ATOM 185 CG LYS A 24 -18.096 13.884 -17.059 1.00 63.52 C ATOM 186 CD LYS A 24 -18.084 13.699 -15.552 1.00 69.19 C ATOM 187 CE LYS A 24 -18.526 12.295 -15.170 1.00 74.65 C ATOM 188 NZ LYS A 24 -19.947 12.036 -15.531 1.00 80.25 N ATOM 189 HZ1 LYS A 24 -20.559 12.715 -15.034 1.00 0.00 H ATOM 190 HZ2 LYS A 24 -20.068 12.146 -16.558 1.00 0.00 H ATOM 191 HZ3 LYS A 24 -20.203 11.068 -15.252 1.00 0.00 H ATOM 192 H LYS A 24 -15.482 13.741 -18.879 1.00 0.00 H ATOM 193 N PRO A 25 -16.445 17.581 -19.409 1.00 62.65 N ATOM 194 CA PRO A 25 -15.506 18.702 -19.514 1.00 62.26 C ATOM 195 C PRO A 25 -14.697 18.878 -18.232 1.00 61.13 C ATOM 196 O PRO A 25 -15.274 18.985 -17.150 1.00 62.33 O ATOM 197 CB PRO A 25 -16.422 19.902 -19.758 1.00 65.92 C ATOM 198 CG PRO A 25 -17.618 19.317 -20.426 1.00 68.72 C ATOM 199 CD PRO A 25 -17.814 17.971 -19.785 1.00 67.60 C ATOM 200 N GLY A 26 -13.375 18.894 -18.359 1.00 55.42 N ATOM 201 CA GLY A 26 -12.504 18.974 -17.203 1.00 55.76 C ATOM 202 C GLY A 26 -11.764 17.671 -16.973 1.00 58.96 C ATOM 203 O GLY A 26 -10.732 17.644 -16.304 1.00 65.58 O ATOM 204 H GLY A 26 -12.955 18.848 -19.309 1.00 0.00 H ATOM 205 N ASP A 27 -12.297 16.586 -17.528 1.00 62.81 N ATOM 206 CA ASP A 27 -11.649 15.282 -17.437 1.00 56.04 C ATOM 207 C ASP A 27 -10.366 15.261 -18.257 1.00 53.58 C ATOM 208 O ASP A 27 -10.254 15.946 -19.274 1.00 50.97 O ATOM 209 CB ASP A 27 -12.587 14.168 -17.912 1.00 52.41 C ATOM 210 CG ASP A 27 -13.662 13.831 -16.895 1.00 58.00 C ATOM 211 OD1 ASP A 27 -13.817 14.586 -15.913 1.00 61.72 O ATOM 212 OD2 ASP A 27 -14.355 12.808 -17.082 1.00 60.19 O ATOM 213 H ASP A 27 -13.199 16.669 -18.040 1.00 0.00 H ATOM 214 N CYS A 28 -9.397 14.473 -17.805 1.00 52.03 N ATOM 215 CA CYS A 28 -8.148 14.308 -18.533 1.00 50.27 C ATOM 216 C CYS A 28 -8.198 13.022 -19.346 1.00 52.89 C ATOM 217 O CYS A 28 -8.575 11.969 -18.831 1.00 53.27 O ATOM 218 CB CYS A 28 -6.959 14.294 -17.572 1.00 50.97 C ATOM 219 SG CYS A 28 -6.870 15.739 -16.487 1.00 62.93 S ATOM 220 H CYS A 28 -9.534 13.962 -16.910 1.00 0.00 H ATOM 221 N VAL A 29 -7.830 13.109 -20.619 1.00 58.57 N ATOM 222 CA VAL A 29 -7.908 11.955 -21.503 1.00 37.67 C ATOM 223 C VAL A 29 -6.621 11.728 -22.277 1.00 36.41 C ATOM 224 O VAL A 29 -5.814 12.642 -22.462 1.00 35.44 O ATOM 225 CB VAL A 29 -9.059 12.095 -22.518 1.00 42.43 C ATOM 226 CG1 VAL A 29 -10.403 12.100 -21.808 1.00 39.20 C ATOM 227 CG2 VAL A 29 -8.882 13.355 -23.352 1.00 40.20 C ATOM 228 H VAL A 29 -7.481 14.016 -20.990 1.00 0.00 H ATOM 229 N LEU A 30 -6.440 10.491 -22.722 1.00 36.92 N ATOM 230 CA LEU A 30 -5.360 10.149 -23.630 1.00 37.56 C ATOM 231 C LEU A 30 -5.945 10.021 -25.028 1.00 45.01 C ATOM 232 O LEU A 30 -7.073 9.573 -25.183 1.00 50.78 O ATOM 233 CB LEU A 30 -4.674 8.851 -23.201 1.00 37.70 C ATOM 234 CG LEU A 30 -4.467 8.667 -21.697 1.00 39.18 C ATOM 235 CD1 LEU A 30 -4.129 7.222 -21.377 1.00 41.47 C ATOM 236 CD2 LEU A 30 -3.372 9.593 -21.194 1.00 58.75 C ATOM 237 H LEU A 30 -7.092 9.743 -22.411 1.00 0.00 H ATOM 238 N MET A 31 -5.198 10.442 -26.042 1.00 48.08 N ATOM 239 CA MET A 31 -5.657 10.325 -27.420 1.00 47.15 C ATOM 240 C MET A 31 -4.618 9.620 -28.278 1.00 41.69 C ATOM 241 O MET A 31 -3.414 9.786 -28.076 1.00 43.08 O ATOM 242 CB MET A 31 -5.979 11.699 -28.010 1.00 49.81 C ATOM 243 CG MET A 31 -6.943 12.525 -27.183 1.00 48.43 C ATOM 244 SD MET A 31 -7.645 13.889 -28.122 1.00 70.25 S ATOM 245 CE MET A 31 -9.006 14.349 -27.056 1.00 87.30 C ATOM 246 H MET A 31 -4.267 10.864 -25.849 1.00 0.00 H ATOM 247 N ARG A 32 -5.096 8.830 -29.233 1.00 41.04 N ATOM 248 CA ARG A 32 -4.215 8.105 -30.137 1.00 45.38 C ATOM 249 C ARG A 32 -3.434 9.058 -31.030 1.00 47.00 C ATOM 250 O ARG A 32 -4.021 9.803 -31.809 1.00 41.03 O ATOM 251 CB ARG A 32 -5.011 7.123 -30.995 1.00 48.46 C ATOM 252 CG ARG A 32 -4.157 6.374 -32.001 1.00 51.10 C ATOM 253 CD ARG A 32 -4.701 4.986 -32.274 1.00 61.39 C ATOM 254 NE ARG A 32 -4.008 4.344 -33.386 1.00 69.74 N ATOM 255 CZ ARG A 32 -4.562 4.092 -34.567 1.00 72.75 C ATOM 256 NH1 ARG A 32 -5.826 4.424 -34.792 1.00 70.76 N ATOM 257 NH2 ARG A 32 -3.855 3.505 -35.522 1.00 77.48 N ATOM 258 HE ARG A 32 -3.016 4.066 -33.245 1.00 0.00 H ATOM 259 HH12 ARG A 32 -6.259 4.226 -35.717 1.00 0.00 H ATOM 260 HH11 ARG A 32 -6.384 4.882 -34.044 1.00 0.00 H ATOM 261 HH22 ARG A 32 -4.291 3.309 -36.446 1.00 0.00 H ATOM 262 HH21 ARG A 32 -2.864 3.241 -35.348 1.00 0.00 H ATOM 263 H ARG A 32 -6.126 8.727 -29.337 1.00 0.00 H ATOM 264 N PRO A 33 -2.100 9.030 -30.920 1.00 37.50 N ATOM 265 CA PRO A 33 -1.217 9.908 -31.690 1.00 52.68 C ATOM 266 C PRO A 33 -1.167 9.556 -33.170 1.00 51.20 C ATOM 267 O PRO A 33 -1.418 8.409 -33.541 1.00 56.53 O ATOM 268 CB PRO A 33 0.149 9.683 -31.039 1.00 53.95 C ATOM 269 CG PRO A 33 0.071 8.306 -30.499 1.00 54.07 C ATOM 270 CD PRO A 33 -1.342 8.143 -30.024 1.00 38.05 C ATOM 271 N SER A 34 -0.845 10.547 -33.996 1.00 58.29 N ATOM 272 CA SER A 34 -0.640 10.342 -35.424 1.00 59.64 C ATOM 273 C SER A 34 0.411 9.266 -35.669 1.00 56.07 C ATOM 274 O SER A 34 0.275 8.435 -36.565 1.00 58.98 O ATOM 275 CB SER A 34 -0.219 11.651 -36.090 1.00 63.61 C ATOM 276 OG SER A 34 0.655 11.414 -37.180 1.00 68.56 O ATOM 277 HG SER A 34 0.910 12.278 -37.591 1.00 0.00 H ATOM 278 H SER A 34 -0.735 11.506 -33.608 1.00 0.00 H ATOM 279 N ASP A 35 1.458 9.292 -34.853 1.00 57.00 N ATOM 280 CA ASP A 35 2.539 8.315 -34.918 1.00 58.55 C ATOM 281 C ASP A 35 2.283 7.210 -33.894 1.00 57.48 C ATOM 282 O ASP A 35 2.350 7.452 -32.689 1.00 57.79 O ATOM 283 CB ASP A 35 3.883 9.009 -34.666 1.00 57.82 C ATOM 284 CG ASP A 35 5.062 8.054 -34.688 1.00 61.66 C ATOM 285 OD1 ASP A 35 4.910 6.905 -35.149 1.00 64.93 O ATOM 286 OD2 ASP A 35 6.154 8.465 -34.245 1.00 63.43 O ATOM 287 H ASP A 35 1.510 10.043 -34.135 1.00 0.00 H ATOM 288 N PRO A 36 1.989 5.989 -34.371 1.00 57.41 N ATOM 289 CA PRO A 36 1.559 4.891 -33.497 1.00 56.36 C ATOM 290 C PRO A 36 2.671 4.320 -32.618 1.00 55.12 C ATOM 291 O PRO A 36 2.385 3.550 -31.701 1.00 48.80 O ATOM 292 CB PRO A 36 1.066 3.837 -34.489 1.00 51.04 C ATOM 293 CG PRO A 36 1.897 4.068 -35.698 1.00 59.17 C ATOM 294 CD PRO A 36 2.084 5.561 -35.779 1.00 57.67 C ATOM 295 N SER A 37 3.917 4.690 -32.892 1.00 53.32 N ATOM 296 CA SER A 37 5.045 4.202 -32.108 1.00 50.76 C ATOM 297 C SER A 37 5.356 5.141 -30.950 1.00 52.35 C ATOM 298 O SER A 37 6.374 4.995 -30.274 1.00 59.05 O ATOM 299 CB SER A 37 6.282 4.042 -32.989 1.00 54.10 C ATOM 300 OG SER A 37 6.951 5.282 -33.145 1.00 54.17 O ATOM 301 HG SER A 37 7.232 5.618 -32.257 1.00 0.00 H ATOM 302 H SER A 37 4.092 5.342 -33.683 1.00 0.00 H ATOM 303 N LYS A 38 4.472 6.107 -30.729 1.00 51.24 N ATOM 304 CA LYS A 38 4.697 7.138 -29.724 1.00 46.64 C ATOM 305 C LYS A 38 3.638 7.080 -28.629 1.00 45.36 C ATOM 306 O LYS A 38 2.531 6.595 -28.862 1.00 51.11 O ATOM 307 CB LYS A 38 4.716 8.520 -30.387 1.00 45.34 C ATOM 308 CG LYS A 38 6.085 9.187 -30.368 1.00 50.77 C ATOM 309 CD LYS A 38 7.192 8.177 -30.628 1.00 60.93 C ATOM 310 CE LYS A 38 8.565 8.772 -30.362 1.00 66.55 C ATOM 311 NZ LYS A 38 9.653 7.891 -30.869 1.00 71.66 N ATOM 312 HZ1 LYS A 38 9.598 6.967 -30.395 1.00 0.00 H ATOM 313 HZ2 LYS A 38 9.544 7.763 -31.895 1.00 0.00 H ATOM 314 HZ3 LYS A 38 10.574 8.330 -30.669 1.00 0.00 H ATOM 315 H LYS A 38 3.595 6.128 -31.288 1.00 0.00 H ATOM 316 N PRO A 39 3.978 7.563 -27.422 1.00 40.60 N ATOM 317 CA PRO A 39 3.038 7.534 -26.297 1.00 39.97 C ATOM 318 C PRO A 39 1.776 8.345 -26.581 1.00 45.20 C ATOM 319 O PRO A 39 1.806 9.246 -27.418 1.00 43.81 O ATOM 320 CB PRO A 39 3.845 8.155 -25.152 1.00 40.20 C ATOM 321 CG PRO A 39 5.266 7.950 -25.531 1.00 49.31 C ATOM 322 CD PRO A 39 5.293 8.091 -27.018 1.00 52.30 C ATOM 323 N SER A 40 0.685 8.021 -25.894 1.00 41.08 N ATOM 324 CA SER A 40 -0.603 8.676 -26.120 1.00 41.15 C ATOM 325 C SER A 40 -0.577 10.162 -25.774 1.00 39.79 C ATOM 326 O SER A 40 -0.005 10.556 -24.765 1.00 41.83 O ATOM 327 CB SER A 40 -1.695 7.988 -25.301 1.00 43.74 C ATOM 328 OG SER A 40 -1.719 6.595 -25.553 1.00 48.10 O ATOM 329 HG SER A 40 -2.433 6.175 -25.011 1.00 0.00 H ATOM 330 H SER A 40 0.750 7.276 -25.171 1.00 0.00 H ATOM 331 N TYR A 41 -1.203 10.987 -26.608 1.00 34.23 N ATOM 332 CA TYR A 41 -1.329 12.406 -26.292 1.00 40.07 C ATOM 333 C TYR A 41 -2.104 12.569 -24.991 1.00 42.29 C ATOM 334 O TYR A 41 -3.064 11.853 -24.753 1.00 45.90 O ATOM 335 CB TYR A 41 -2.037 13.161 -27.418 1.00 37.70 C ATOM 336 CG TYR A 41 -1.293 13.181 -28.733 1.00 36.51 C ATOM 337 CD1 TYR A 41 0.088 13.053 -28.777 1.00 36.84 C ATOM 338 CD2 TYR A 41 -1.975 13.338 -29.933 1.00 33.69 C ATOM 339 CE1 TYR A 41 0.768 13.075 -29.979 1.00 36.37 C ATOM 340 CE2 TYR A 41 -1.304 13.362 -31.138 1.00 34.61 C ATOM 341 CZ TYR A 41 0.067 13.228 -31.156 1.00 35.08 C ATOM 342 OH TYR A 41 0.741 13.250 -32.355 1.00 36.45 O ATOM 343 HH TYR A 41 1.711 13.142 -32.189 1.00 0.00 H ATOM 344 H TYR A 41 -1.606 10.618 -27.493 1.00 0.00 H ATOM 345 N VAL A 42 -1.685 13.493 -24.138 1.00 40.24 N ATOM 346 CA VAL A 42 -2.448 13.766 -22.926 1.00 39.27 C ATOM 347 C VAL A 42 -3.132 15.117 -23.074 1.00 39.06 C ATOM 348 O VAL A 42 -2.506 16.081 -23.501 1.00 36.60 O ATOM 349 CB VAL A 42 -1.563 13.755 -21.669 1.00 39.27 C ATOM 350 CG1 VAL A 42 -2.391 13.384 -20.449 1.00 37.28 C ATOM 351 CG2 VAL A 42 -0.418 12.771 -21.841 1.00 42.50 C ATOM 352 H VAL A 42 -0.812 14.023 -24.333 1.00 0.00 H ATOM 353 N ALA A 43 -4.417 15.183 -22.740 1.00 41.99 N ATOM 354 CA ALA A 43 -5.175 16.416 -22.931 1.00 39.43 C ATOM 355 C ALA A 43 -6.236 16.620 -21.858 1.00 41.74 C ATOM 356 O ALA A 43 -6.618 15.682 -21.160 1.00 45.03 O ATOM 357 CB ALA A 43 -5.819 16.424 -24.307 1.00 39.64 C ATOM 358 H ALA A 43 -4.888 14.347 -22.338 1.00 0.00 H ATOM 359 N LYS A 44 -6.708 17.856 -21.734 1.00 38.70 N ATOM 360 CA LYS A 44 -7.789 18.168 -20.807 1.00 42.59 C ATOM 361 C LYS A 44 -9.015 18.625 -21.582 1.00 46.95 C ATOM 362 O LYS A 44 -8.917 19.478 -22.458 1.00 48.52 O ATOM 363 CB LYS A 44 -7.357 19.241 -19.806 1.00 46.41 C ATOM 364 CG LYS A 44 -8.439 19.624 -18.807 1.00 51.73 C ATOM 365 CD LYS A 44 -7.857 20.348 -17.603 1.00 60.22 C ATOM 366 CE LYS A 44 -7.834 21.853 -17.814 1.00 69.02 C ATOM 367 NZ LYS A 44 -7.350 22.575 -16.604 1.00 76.79 N ATOM 368 HZ1 LYS A 44 -7.980 22.367 -15.803 1.00 0.00 H ATOM 369 HZ2 LYS A 44 -6.384 22.262 -16.378 1.00 0.00 H ATOM 370 HZ3 LYS A 44 -7.350 23.598 -16.789 1.00 0.00 H ATOM 371 H LYS A 44 -6.297 18.618 -22.311 1.00 0.00 H ATOM 372 N ILE A 45 -10.171 18.055 -21.266 1.00 54.55 N ATOM 373 CA ILE A 45 -11.384 18.381 -22.002 1.00 54.31 C ATOM 374 C ILE A 45 -11.987 19.700 -21.542 1.00 55.52 C ATOM 375 O ILE A 45 -12.544 19.795 -20.450 1.00 56.23 O ATOM 376 CB ILE A 45 -12.442 17.277 -21.869 1.00 52.72 C ATOM 377 CG1 ILE A 45 -11.862 15.934 -22.313 1.00 45.05 C ATOM 378 CG2 ILE A 45 -13.676 17.628 -22.685 1.00 56.44 C ATOM 379 CD1 ILE A 45 -12.887 14.831 -22.403 1.00 42.13 C ATOM 380 H ILE A 45 -10.211 17.369 -20.485 1.00 0.00 H ATOM 381 N GLU A 46 -11.866 20.716 -22.388 1.00 55.11 N ATOM 382 CA GLU A 46 -12.469 22.010 -22.117 1.00 58.50 C ATOM 383 C GLU A 46 -13.972 21.972 -22.400 1.00 62.85 C ATOM 384 O GLU A 46 -14.776 22.295 -21.526 1.00 63.05 O ATOM 385 CB GLU A 46 -11.793 23.104 -22.951 1.00 57.33 C ATOM 386 CG GLU A 46 -10.313 23.302 -22.650 1.00 63.94 C ATOM 387 CD GLU A 46 -10.067 24.007 -21.327 1.00 76.14 C ATOM 388 OE1 GLU A 46 -10.349 25.221 -21.238 1.00 86.33 O ATOM 389 OE2 GLU A 46 -9.593 23.349 -20.377 1.00 75.51 O ATOM 390 H GLU A 46 -11.326 20.582 -23.267 1.00 0.00 H ATOM 391 N ARG A 47 -14.345 21.590 -23.625 1.00 67.95 N ATOM 392 CA ARG A 47 -15.745 21.602 -24.076 1.00 70.41 C ATOM 393 C ARG A 47 -16.094 20.448 -25.030 1.00 62.77 C ATOM 394 O ARG A 47 -15.266 20.030 -25.841 1.00 56.43 O ATOM 395 CB ARG A 47 -16.057 22.940 -24.767 1.00 81.27 C ATOM 396 CG ARG A 47 -15.495 24.152 -24.022 1.00 93.77 C ATOM 397 CD ARG A 47 -15.343 25.415 -24.860 1.00105.41 C ATOM 398 NE ARG A 47 -16.363 25.544 -25.885 1.00117.47 N ATOM 399 CZ ARG A 47 -16.320 26.444 -26.862 1.00128.66 C ATOM 400 NH1 ARG A 47 -17.307 26.510 -27.745 1.00132.76 N ATOM 401 NH2 ARG A 47 -15.261 27.234 -26.998 1.00131.82 N ATOM 402 HE ARG A 47 -17.175 24.894 -25.853 1.00 0.00 H ATOM 403 HH12 ARG A 47 -17.274 27.214 -28.510 1.00 0.00 H ATOM 404 HH11 ARG A 47 -18.114 25.858 -27.673 1.00 0.00 H ATOM 405 HH22 ARG A 47 -15.232 27.937 -27.764 1.00 0.00 H ATOM 406 HH21 ARG A 47 -14.461 27.150 -26.339 1.00 0.00 H ATOM 407 H ARG A 47 -13.612 21.270 -24.290 1.00 0.00 H ATOM 408 N ILE A 48 -17.331 19.957 -24.935 1.00 70.68 N ATOM 409 CA ILE A 48 -17.851 18.922 -25.831 1.00 70.43 C ATOM 410 C ILE A 48 -19.069 19.472 -26.600 1.00 76.00 C ATOM 411 O ILE A 48 -19.975 20.064 -25.999 1.00 79.85 O ATOM 412 CB ILE A 48 -18.245 17.646 -25.052 1.00 67.59 C ATOM 413 CG1 ILE A 48 -17.091 17.165 -24.166 1.00 59.82 C ATOM 414 CG2 ILE A 48 -18.668 16.540 -25.997 1.00 70.37 C ATOM 415 CD1 ILE A 48 -17.391 15.874 -23.404 1.00 57.73 C ATOM 416 H ILE A 48 -17.955 20.327 -24.190 1.00 0.00 H ATOM 417 N GLU A 49 -19.023 19.333 -27.920 1.00 77.26 N ATOM 418 CA GLU A 49 -19.977 19.962 -28.816 1.00 85.58 C ATOM 419 C GLU A 49 -20.506 18.955 -29.813 1.00 85.08 C ATOM 420 O GLU A 49 -19.797 18.044 -30.206 1.00 77.05 O ATOM 421 CB GLU A 49 -19.312 21.115 -29.569 1.00 95.53 C ATOM 422 CG GLU A 49 -18.451 22.020 -28.702 1.00102.74 C ATOM 423 CD GLU A 49 -17.289 22.641 -29.457 1.00106.01 C ATOM 424 OE1 GLU A 49 -16.624 21.928 -30.233 1.00103.49 O ATOM 425 OE2 GLU A 49 -17.034 23.846 -29.270 1.00108.51 O ATOM 426 H GLU A 49 -18.269 18.747 -28.331 1.00 0.00 H ATOM 427 N SER A 50 -21.751 19.130 -30.229 1.00 92.95 N ATOM 428 CA SER A 50 -22.401 18.171 -31.107 1.00102.31 C ATOM 429 C SER A 50 -23.072 18.830 -32.297 1.00112.83 C ATOM 430 O SER A 50 -23.411 20.009 -32.260 1.00110.37 O ATOM 431 CB SER A 50 -23.435 17.367 -30.328 1.00103.16 C ATOM 432 OG SER A 50 -23.306 17.605 -28.940 1.00101.35 O ATOM 433 HG SER A 50 -23.443 18.568 -28.757 1.00 0.00 H ATOM 434 H SER A 50 -22.276 19.973 -29.920 1.00 0.00 H ATOM 435 N ASP A 51 -23.283 18.021 -33.323 1.00111.78 N ATOM 436 CA ASP A 51 -23.969 18.432 -34.523 1.00126.86 C ATOM 437 C ASP A 51 -25.451 18.302 -34.228 1.00142.83 C ATOM 438 O ASP A 51 -26.081 17.320 -34.601 1.00157.71 O ATOM 439 CB ASP A 51 -23.562 17.499 -35.671 1.00126.33 C ATOM 440 CG ASP A 51 -24.556 17.492 -36.816 1.00132.37 C ATOM 441 OD1 ASP A 51 -25.356 18.440 -36.927 1.00135.52 O ATOM 442 OD2 ASP A 51 -24.557 16.518 -37.587 1.00134.67 O ATOM 443 H ASP A 51 -22.938 17.042 -33.261 1.00 0.00 H ATOM 444 N GLY A 52 -26.010 19.264 -33.499 1.00138.70 N ATOM 445 CA GLY A 52 -27.428 19.228 -33.190 1.00140.45 C ATOM 446 C GLY A 52 -27.699 17.909 -32.519 1.00138.15 C ATOM 447 O GLY A 52 -27.038 17.552 -31.565 1.00135.30 O ATOM 448 H GLY A 52 -25.426 20.049 -33.147 1.00 0.00 H ATOM 449 N ARG A 53 -28.665 17.175 -33.044 1.00143.63 N ATOM 450 CA ARG A 53 -28.749 15.752 -32.817 1.00138.79 C ATOM 451 C ARG A 53 -28.209 15.146 -34.112 1.00143.52 C ATOM 452 O ARG A 53 -28.872 15.192 -35.147 1.00145.15 O ATOM 453 CB ARG A 53 -30.202 15.353 -32.586 1.00131.67 C ATOM 454 CG ARG A 53 -30.389 14.066 -31.813 1.00120.53 C ATOM 455 CD ARG A 53 -30.866 14.337 -30.402 1.00110.72 C ATOM 456 NE ARG A 53 -30.663 13.188 -29.534 1.00103.89 N ATOM 457 CZ ARG A 53 -30.330 13.276 -28.257 1.00 97.56 C ATOM 458 NH1 ARG A 53 -30.168 14.457 -27.694 1.00 96.60 N ATOM 459 NH2 ARG A 53 -30.165 12.180 -27.544 1.00 93.67 N ATOM 460 HE ARG A 53 -30.787 12.240 -29.942 1.00 0.00 H ATOM 461 HH12 ARG A 53 -29.906 14.523 -26.690 1.00 0.00 H ATOM 462 HH11 ARG A 53 -30.302 15.323 -28.254 1.00 0.00 H ATOM 463 HH22 ARG A 53 -29.903 12.247 -26.540 1.00 0.00 H ATOM 464 HH21 ARG A 53 -30.297 11.248 -27.986 1.00 0.00 H ATOM 465 H ARG A 53 -29.384 17.636 -33.637 1.00 0.00 H ATOM 466 N GLY A 54 -26.995 14.603 -34.097 1.00145.61 N ATOM 467 CA GLY A 54 -26.411 14.048 -35.316 1.00140.04 C ATOM 468 C GLY A 54 -25.392 12.970 -35.004 1.00130.98 C ATOM 469 O GLY A 54 -25.151 12.708 -33.826 1.00127.64 O ATOM 470 H GLY A 54 -26.456 14.573 -33.208 1.00 0.00 H ATOM 471 N PRO A 55 -24.783 12.332 -36.007 1.00125.95 N ATOM 472 CA PRO A 55 -23.809 11.297 -35.614 1.00116.48 C ATOM 473 C PRO A 55 -22.505 11.830 -35.030 1.00107.94 C ATOM 474 O PRO A 55 -21.987 11.238 -34.095 1.00106.46 O ATOM 475 CB PRO A 55 -23.502 10.581 -36.922 1.00112.62 C ATOM 476 CG PRO A 55 -23.567 11.657 -37.920 1.00113.60 C ATOM 477 CD PRO A 55 -24.876 12.263 -37.545 1.00123.39 C ATOM 478 N ASN A 56 -21.958 12.896 -35.595 1.00113.92 N ATOM 479 CA ASN A 56 -20.628 13.354 -35.217 1.00104.27 C ATOM 480 C ASN A 56 -20.490 14.126 -33.901 1.00 93.39 C ATOM 481 O ASN A 56 -21.317 14.962 -33.591 1.00 95.67 O ATOM 482 CB ASN A 56 -20.044 14.169 -36.355 1.00109.39 C ATOM 483 CG ASN A 56 -18.681 14.711 -36.032 1.00109.96 C ATOM 484 OD1 ASN A 56 -17.887 14.061 -35.358 1.00107.50 O ATOM 485 ND2 ASN A 56 -18.405 15.916 -36.502 1.00112.22 N ATOM 486 HD22 ASN A 56 -19.111 16.427 -37.069 1.00 0.00 H ATOM 487 HD21 ASN A 56 -17.482 16.352 -36.305 1.00 0.00 H ATOM 488 H ASN A 56 -22.489 13.416 -36.323 1.00 0.00 H ATOM 489 N VAL A 57 -19.417 13.862 -33.154 1.00 95.72 N ATOM 490 CA VAL A 57 -19.099 14.601 -31.939 1.00 86.13 C ATOM 491 C VAL A 57 -17.639 15.021 -31.931 1.00 83.59 C ATOM 492 O VAL A 57 -16.767 14.250 -32.304 1.00 84.52 O ATOM 493 CB VAL A 57 -19.365 13.774 -30.685 1.00 77.14 C ATOM 494 CG1 VAL A 57 -19.455 14.682 -29.477 1.00 69.77 C ATOM 495 CG2 VAL A 57 -20.639 12.976 -30.851 1.00 78.37 C ATOM 496 H VAL A 57 -18.780 13.096 -33.451 1.00 0.00 H ATOM 497 N ARG A 58 -17.382 16.247 -31.500 1.00 81.31 N ATOM 498 CA ARG A 58 -16.037 16.789 -31.493 1.00 77.78 C ATOM 499 C ARG A 58 -15.721 17.335 -30.116 1.00 71.55 C ATOM 500 O ARG A 58 -16.591 17.878 -29.452 1.00 72.66 O ATOM 501 CB ARG A 58 -15.907 17.885 -32.541 1.00 85.54 C ATOM 502 CG ARG A 58 -16.549 19.195 -32.133 1.00 95.04 C ATOM 503 CD ARG A 58 -16.680 20.144 -33.313 1.00105.69 C ATOM 504 NE ARG A 58 -17.109 21.472 -32.886 1.00114.59 N ATOM 505 CZ ARG A 58 -16.600 22.609 -33.345 1.00119.12 C ATOM 506 NH1 ARG A 58 -15.638 22.586 -34.254 1.00118.47 N ATOM 507 NH2 ARG A 58 -17.053 23.770 -32.893 1.00122.43 N ATOM 508 HE ARG A 58 -17.865 21.532 -32.174 1.00 0.00 H ATOM 509 HH12 ARG A 58 -15.240 23.477 -34.613 1.00 0.00 H ATOM 510 HH11 ARG A 58 -15.280 21.677 -34.609 1.00 0.00 H ATOM 511 HH22 ARG A 58 -16.653 24.660 -33.253 1.00 0.00 H ATOM 512 HH21 ARG A 58 -17.808 23.791 -32.178 1.00 0.00 H ATOM 513 H ARG A 58 -18.167 16.837 -31.157 1.00 0.00 H ATOM 514 N VAL A 59 -14.476 17.179 -29.685 1.00 65.70 N ATOM 515 CA VAL A 59 -14.091 17.542 -28.354 1.00 59.89 C ATOM 516 C VAL A 59 -13.032 18.571 -28.481 1.00 61.79 C ATOM 517 O VAL A 59 -12.174 18.441 -29.310 1.00 70.83 O ATOM 518 CB VAL A 59 -13.458 16.366 -27.669 1.00 54.73 C ATOM 519 CG1 VAL A 59 -13.320 16.651 -26.212 1.00 54.06 C ATOM 520 CG2 VAL A 59 -14.329 15.164 -27.850 1.00 62.33 C ATOM 521 H VAL A 59 -13.762 16.783 -30.329 1.00 0.00 H ATOM 522 N ARG A 60 -13.099 19.608 -27.676 1.00 51.35 N ATOM 523 CA ARG A 60 -12.116 20.643 -27.730 1.00 52.06 C ATOM 524 C ARG A 60 -11.320 20.505 -26.498 1.00 55.98 C ATOM 525 O ARG A 60 -11.852 20.459 -25.442 1.00 65.91 O ATOM 526 CB ARG A 60 -12.792 21.986 -27.695 1.00 60.05 C ATOM 527 CG ARG A 60 -11.898 23.159 -27.377 1.00 59.17 C ATOM 528 CD ARG A 60 -11.196 23.625 -28.629 1.00 62.47 C ATOM 529 NE ARG A 60 -10.620 24.940 -28.450 1.00 68.75 N ATOM 530 CZ ARG A 60 -10.065 25.657 -29.409 1.00 72.91 C ATOM 531 NH1 ARG A 60 -9.584 26.845 -29.126 1.00 76.04 N ATOM 532 NH2 ARG A 60 -9.992 25.195 -30.633 1.00 70.94 N ATOM 533 HE ARG A 60 -10.645 25.351 -27.495 1.00 0.00 H ATOM 534 HH12 ARG A 60 -9.144 27.419 -29.873 1.00 0.00 H ATOM 535 HH11 ARG A 60 -9.643 27.212 -28.155 1.00 0.00 H ATOM 536 HH22 ARG A 60 -9.552 25.769 -31.380 1.00 0.00 H ATOM 537 HH21 ARG A 60 -10.374 24.254 -30.857 1.00 0.00 H ATOM 538 H ARG A 60 -13.878 19.676 -26.991 1.00 0.00 H ATOM 539 N VAL A 61 -10.022 20.468 -26.649 1.00 54.97 N ATOM 540 CA VAL A 61 -9.079 20.141 -25.592 1.00 51.73 C ATOM 541 C VAL A 61 -7.983 21.184 -25.418 1.00 52.12 C ATOM 542 O VAL A 61 -7.672 21.954 -26.330 1.00 54.93 O ATOM 543 CB VAL A 61 -8.404 18.780 -25.845 1.00 48.13 C ATOM 544 CG1 VAL A 61 -9.447 17.693 -25.964 1.00 50.40 C ATOM 545 CG2 VAL A 61 -7.542 18.836 -27.098 1.00 36.98 C ATOM 546 H VAL A 61 -9.638 20.688 -27.590 1.00 0.00 H ATOM 547 N ARG A 62 -7.416 21.194 -24.218 1.00 45.19 N ATOM 548 CA ARG A 62 -6.217 21.951 -23.909 1.00 38.46 C ATOM 549 C ARG A 62 -5.096 20.949 -23.666 1.00 37.70 C ATOM 550 O ARG A 62 -5.179 20.125 -22.752 1.00 42.16 O ATOM 551 CB ARG A 62 -6.439 22.844 -22.690 1.00 34.31 C ATOM 552 CG ARG A 62 -5.217 23.621 -22.251 1.00 42.09 C ATOM 553 CD ARG A 62 -5.499 24.375 -20.966 1.00 44.87 C ATOM 554 NE ARG A 62 -4.360 25.184 -20.546 1.00 47.69 N ATOM 555 CZ ARG A 62 -4.348 25.939 -19.453 1.00 50.46 C ATOM 556 NH1 ARG A 62 -5.415 25.988 -18.668 1.00 50.14 N ATOM 557 NH2 ARG A 62 -3.268 26.644 -19.145 1.00 53.95 N ATOM 558 HE ARG A 62 -3.505 25.169 -21.138 1.00 0.00 H ATOM 559 HH12 ARG A 62 -5.405 26.579 -17.813 1.00 0.00 H ATOM 560 HH11 ARG A 62 -6.263 25.435 -18.908 1.00 0.00 H ATOM 561 HH22 ARG A 62 -3.259 27.235 -18.289 1.00 0.00 H ATOM 562 HH21 ARG A 62 -2.430 26.606 -19.759 1.00 0.00 H ATOM 563 H ARG A 62 -7.853 20.631 -23.461 1.00 0.00 H ATOM 564 N TRP A 63 -4.060 21.007 -24.496 1.00 32.82 N ATOM 565 CA TRP A 63 -3.024 19.981 -24.493 1.00 30.18 C ATOM 566 C TRP A 63 -2.141 19.980 -23.254 1.00 31.86 C ATOM 567 O TRP A 63 -1.730 21.028 -22.760 1.00 28.76 O ATOM 568 CB TRP A 63 -2.127 20.124 -25.726 1.00 35.63 C ATOM 569 CG TRP A 63 -2.788 19.758 -27.012 1.00 37.38 C ATOM 570 CD1 TRP A 63 -3.014 20.576 -28.078 1.00 41.91 C ATOM 571 CD2 TRP A 63 -3.309 18.473 -27.374 1.00 37.76 C ATOM 572 NE1 TRP A 63 -3.644 19.882 -29.083 1.00 44.48 N ATOM 573 CE2 TRP A 63 -3.837 18.590 -28.675 1.00 42.39 C ATOM 574 CE3 TRP A 63 -3.380 17.238 -26.725 1.00 40.54 C ATOM 575 CZ2 TRP A 63 -4.429 17.518 -29.337 1.00 45.00 C ATOM 576 CZ3 TRP A 63 -3.970 16.176 -27.384 1.00 46.13 C ATOM 577 CH2 TRP A 63 -4.486 16.322 -28.676 1.00 46.66 C ATOM 578 HE1 TRP A 63 -3.928 20.275 -30.003 1.00 0.00 H ATOM 579 H TRP A 63 -3.986 21.802 -25.163 1.00 0.00 H ATOM 580 N TYR A 64 -1.867 18.779 -22.760 1.00 38.30 N ATOM 581 CA TYR A 64 -0.745 18.542 -21.867 1.00 35.86 C ATOM 582 C TYR A 64 0.436 18.080 -22.713 1.00 38.07 C ATOM 583 O TYR A 64 0.330 17.104 -23.457 1.00 47.20 O ATOM 584 CB TYR A 64 -1.078 17.491 -20.805 1.00 31.24 C ATOM 585 CG TYR A 64 -1.924 17.983 -19.651 1.00 32.51 C ATOM 586 CD1 TYR A 64 -3.267 17.645 -19.555 1.00 37.77 C ATOM 587 CD2 TYR A 64 -1.373 18.769 -18.645 1.00 28.59 C ATOM 588 CE1 TYR A 64 -4.043 18.084 -18.496 1.00 39.99 C ATOM 589 CE2 TYR A 64 -2.141 19.212 -17.583 1.00 31.84 C ATOM 590 CZ TYR A 64 -3.474 18.868 -17.513 1.00 37.52 C ATOM 591 OH TYR A 64 -4.242 19.307 -16.459 1.00 37.35 O ATOM 592 HH TYR A 64 -5.167 18.971 -16.564 1.00 0.00 H ATOM 593 H TYR A 64 -2.477 17.978 -23.021 1.00 0.00 H ATOM 594 N TYR A 65 1.554 18.789 -22.612 1.00 27.67 N ATOM 595 CA TYR A 65 2.762 18.420 -23.342 1.00 29.79 C ATOM 596 C TYR A 65 3.618 17.441 -22.545 1.00 36.69 C ATOM 597 O TYR A 65 3.923 17.681 -21.381 1.00 44.04 O ATOM 598 CB TYR A 65 3.587 19.662 -23.679 1.00 29.04 C ATOM 599 CG TYR A 65 3.230 20.330 -24.988 1.00 33.15 C ATOM 600 CD1 TYR A 65 1.984 20.911 -25.180 1.00 34.65 C ATOM 601 CD2 TYR A 65 4.150 20.393 -26.027 1.00 37.36 C ATOM 602 CE1 TYR A 65 1.663 21.530 -26.374 1.00 35.79 C ATOM 603 CE2 TYR A 65 3.837 21.007 -27.223 1.00 42.39 C ATOM 604 CZ TYR A 65 2.593 21.572 -27.392 1.00 31.72 C ATOM 605 OH TYR A 65 2.282 22.184 -28.584 1.00 33.53 O ATOM 606 HH TYR A 65 1.357 22.535 -28.542 1.00 0.00 H ATOM 607 H TYR A 65 1.569 19.628 -21.997 1.00 0.00 H ATOM 608 N ARG A 66 4.004 16.337 -23.174 1.00 34.62 N ATOM 609 CA ARG A 66 4.954 15.414 -22.566 1.00 37.29 C ATOM 610 C ARG A 66 6.341 16.052 -22.648 1.00 36.96 C ATOM 611 O ARG A 66 6.600 16.841 -23.555 1.00 37.71 O ATOM 612 CB ARG A 66 4.912 14.057 -23.272 1.00 42.87 C ATOM 613 CG ARG A 66 4.911 12.850 -22.346 1.00 44.68 C ATOM 614 CD ARG A 66 4.297 11.653 -23.044 1.00 45.22 C ATOM 615 NE ARG A 66 3.716 10.705 -22.102 1.00 47.74 N ATOM 616 CZ ARG A 66 2.670 9.939 -22.383 1.00 52.69 C ATOM 617 NH1 ARG A 66 2.086 10.049 -23.564 1.00 50.67 N ATOM 618 NH2 ARG A 66 2.192 9.090 -21.484 1.00 60.71 N ATOM 619 HE ARG A 66 4.145 10.625 -21.158 1.00 0.00 H ATOM 620 HH12 ARG A 66 1.265 9.454 -23.796 1.00 0.00 H ATOM 621 HH11 ARG A 66 2.447 10.731 -24.261 1.00 0.00 H ATOM 622 HH22 ARG A 66 1.371 8.495 -21.716 1.00 0.00 H ATOM 623 HH21 ARG A 66 2.638 9.019 -20.547 1.00 0.00 H ATOM 624 H ARG A 66 3.621 16.127 -24.118 1.00 0.00 H ATOM 625 N PRO A 67 7.230 15.736 -21.691 1.00 38.39 N ATOM 626 CA PRO A 67 8.555 16.370 -21.639 1.00 40.07 C ATOM 627 C PRO A 67 9.361 16.245 -22.933 1.00 39.58 C ATOM 628 O PRO A 67 10.063 17.185 -23.301 1.00 39.77 O ATOM 629 CB PRO A 67 9.247 15.625 -20.495 1.00 39.26 C ATOM 630 CG PRO A 67 8.131 15.201 -19.612 1.00 37.10 C ATOM 631 CD PRO A 67 7.007 14.846 -20.540 1.00 37.31 C ATOM 632 N GLU A 68 9.259 15.110 -23.617 1.00 39.62 N ATOM 633 CA GLU A 68 9.989 14.927 -24.867 1.00 43.82 C ATOM 634 C GLU A 68 9.183 15.455 -26.050 1.00 43.67 C ATOM 635 O GLU A 68 9.647 15.429 -27.190 1.00 43.92 O ATOM 636 CB GLU A 68 10.346 13.454 -25.083 1.00 47.16 C ATOM 637 CG GLU A 68 9.158 12.523 -25.269 1.00 48.92 C ATOM 638 CD GLU A 68 8.466 12.178 -23.966 1.00 49.15 C ATOM 639 OE1 GLU A 68 9.135 12.194 -22.912 1.00 43.55 O ATOM 640 OE2 GLU A 68 7.253 11.886 -23.998 1.00 52.69 O ATOM 641 H GLU A 68 8.653 14.345 -23.258 1.00 0.00 H ATOM 642 N GLU A 69 7.976 15.935 -25.768 1.00 40.83 N ATOM 643 CA GLU A 69 7.103 16.498 -26.792 1.00 41.61 C ATOM 644 C GLU A 69 7.281 18.010 -26.892 1.00 42.03 C ATOM 645 O GLU A 69 6.712 18.656 -27.771 1.00 39.43 O ATOM 646 CB GLU A 69 5.640 16.165 -26.490 1.00 40.16 C ATOM 647 CG GLU A 69 5.071 15.001 -27.283 1.00 46.62 C ATOM 648 CD GLU A 69 3.772 14.482 -26.696 1.00 51.90 C ATOM 649 OE1 GLU A 69 3.277 15.086 -25.720 1.00 48.42 O ATOM 650 OE2 GLU A 69 3.240 13.477 -27.213 1.00 57.39 O ATOM 651 H GLU A 69 7.643 15.908 -24.783 1.00 0.00 H ATOM 652 N SER A 70 8.073 18.571 -25.983 1.00 43.35 N ATOM 653 CA SER A 70 8.253 20.015 -25.916 1.00 41.65 C ATOM 654 C SER A 70 9.564 20.452 -26.559 1.00 43.98 C ATOM 655 O SER A 70 10.423 19.625 -26.863 1.00 40.57 O ATOM 656 CB SER A 70 8.198 20.490 -24.464 1.00 42.41 C ATOM 657 OG SER A 70 9.370 20.121 -23.761 1.00 46.13 O ATOM 658 HG SER A 70 9.461 19.135 -23.769 1.00 0.00 H ATOM 659 H SER A 70 8.576 17.965 -25.304 1.00 0.00 H ATOM 660 N ILE A 71 9.705 21.760 -26.759 1.00 45.74 N ATOM 661 CA ILE A 71 10.884 22.327 -27.407 1.00 54.16 C ATOM 662 C ILE A 71 12.163 21.995 -26.649 1.00 61.89 C ATOM 663 O ILE A 71 13.163 21.592 -27.244 1.00 66.27 O ATOM 664 CB ILE A 71 10.773 23.858 -27.536 1.00 50.89 C ATOM 665 CG1 ILE A 71 9.413 24.254 -28.108 1.00 41.09 C ATOM 666 CG2 ILE A 71 11.901 24.405 -28.397 1.00 46.04 C ATOM 667 CD1 ILE A 71 9.157 25.743 -28.078 1.00 42.40 C ATOM 668 H ILE A 71 8.949 22.401 -26.443 1.00 0.00 H ATOM 669 N GLY A 72 12.121 22.167 -25.333 1.00 60.84 N ATOM 670 CA GLY A 72 13.281 21.928 -24.497 1.00 65.52 C ATOM 671 C GLY A 72 13.719 20.478 -24.496 1.00 64.73 C ATOM 672 O GLY A 72 14.897 20.177 -24.314 1.00 69.40 O ATOM 673 H GLY A 72 11.234 22.481 -24.891 1.00 0.00 H ATOM 674 N GLY A 73 12.766 19.575 -24.705 1.00 63.28 N ATOM 675 CA GLY A 73 13.046 18.153 -24.660 1.00 57.02 C ATOM 676 C GLY A 73 13.098 17.660 -23.228 1.00 43.52 C ATOM 677 O GLY A 73 13.188 18.458 -22.295 1.00 39.97 O ATOM 678 H GLY A 73 11.797 19.896 -24.905 1.00 0.00 H ATOM 679 N ARG A 74 13.037 16.344 -23.050 1.00 40.94 N ATOM 680 CA ARG A 74 13.078 15.753 -21.717 1.00 35.25 C ATOM 681 C ARG A 74 14.417 16.012 -21.037 1.00 38.71 C ATOM 682 O ARG A 74 15.469 15.943 -21.670 1.00 46.09 O ATOM 683 CB ARG A 74 12.806 14.248 -21.787 1.00 34.95 C ATOM 684 CG ARG A 74 13.150 13.492 -20.510 1.00 34.70 C ATOM 685 CD ARG A 74 12.639 12.064 -20.546 1.00 34.59 C ATOM 686 NE ARG A 74 11.188 12.010 -20.692 1.00 34.99 N ATOM 687 CZ ARG A 74 10.333 12.064 -19.676 1.00 37.26 C ATOM 688 NH1 ARG A 74 10.784 12.180 -18.435 1.00 30.73 N ATOM 689 NH2 ARG A 74 9.027 12.006 -19.900 1.00 39.75 N ATOM 690 HE ARG A 74 10.798 11.924 -21.652 1.00 0.00 H ATOM 691 HH12 ARG A 74 10.115 12.222 -17.640 1.00 0.00 H ATOM 692 HH11 ARG A 74 11.807 12.229 -18.256 1.00 0.00 H ATOM 693 HH22 ARG A 74 8.360 12.048 -19.103 1.00 0.00 H ATOM 694 HH21 ARG A 74 8.670 11.918 -20.873 1.00 0.00 H ATOM 695 H ARG A 74 12.958 15.722 -23.880 1.00 0.00 H ATOM 696 N ARG A 75 14.368 16.320 -19.745 1.00 42.48 N ATOM 697 CA ARG A 75 15.576 16.522 -18.956 1.00 48.73 C ATOM 698 C ARG A 75 15.608 15.531 -17.793 1.00 54.57 C ATOM 699 O ARG A 75 14.586 14.932 -17.459 1.00 54.81 O ATOM 700 CB ARG A 75 15.646 17.963 -18.457 1.00 38.72 C ATOM 701 CG ARG A 75 15.494 18.994 -19.567 1.00 39.47 C ATOM 702 CD ARG A 75 16.095 20.325 -19.169 1.00 57.08 C ATOM 703 NE ARG A 75 17.295 20.143 -18.360 1.00 61.67 N ATOM 704 CZ ARG A 75 17.967 21.134 -17.785 1.00 58.46 C ATOM 705 NH1 ARG A 75 17.561 22.386 -17.933 1.00 54.70 N ATOM 706 NH2 ARG A 75 19.048 20.871 -17.062 1.00 57.40 N ATOM 707 HE ARG A 75 17.647 19.174 -18.225 1.00 0.00 H ATOM 708 HH12 ARG A 75 18.089 23.161 -17.482 1.00 0.00 H ATOM 709 HH11 ARG A 75 16.715 22.595 -18.500 1.00 0.00 H ATOM 710 HH22 ARG A 75 19.574 21.647 -16.612 1.00 0.00 H ATOM 711 HH21 ARG A 75 19.369 19.889 -16.945 1.00 0.00 H ATOM 712 H ARG A 75 13.441 16.420 -19.284 1.00 0.00 H ATOM 713 N GLN A 76 16.778 15.360 -17.181 1.00 54.51 N ATOM 714 CA GLN A 76 16.977 14.308 -16.182 1.00 60.72 C ATOM 715 C GLN A 76 16.078 14.454 -14.956 1.00 53.91 C ATOM 716 O GLN A 76 15.833 13.479 -14.245 1.00 53.70 O ATOM 717 CB GLN A 76 18.440 14.265 -15.726 1.00 74.71 C ATOM 718 CG GLN A 76 18.821 15.372 -14.751 1.00 89.63 C ATOM 719 CD GLN A 76 20.107 15.079 -14.000 1.00101.31 C ATOM 720 OE1 GLN A 76 20.084 14.737 -12.817 1.00102.51 O ATOM 721 NE2 GLN A 76 21.237 15.217 -14.685 1.00107.80 N ATOM 722 HE22 GLN A 76 21.208 15.508 -15.683 1.00 0.00 H ATOM 723 HE21 GLN A 76 22.151 15.034 -14.223 1.00 0.00 H ATOM 724 H GLN A 76 17.571 15.990 -17.419 1.00 0.00 H ATOM 725 N PHE A 77 15.589 15.664 -14.707 1.00 51.59 N ATOM 726 CA PHE A 77 14.766 15.912 -13.529 1.00 48.53 C ATOM 727 C PHE A 77 13.277 15.852 -13.857 1.00 45.18 C ATOM 728 O PHE A 77 12.434 16.141 -13.008 1.00 45.12 O ATOM 729 CB PHE A 77 15.118 17.266 -12.902 1.00 48.99 C ATOM 730 CG PHE A 77 14.783 18.448 -13.769 1.00 43.76 C ATOM 731 CD1 PHE A 77 15.688 18.914 -14.709 1.00 42.31 C ATOM 732 CD2 PHE A 77 13.570 19.104 -13.633 1.00 38.00 C ATOM 733 CE1 PHE A 77 15.384 20.002 -15.504 1.00 38.30 C ATOM 734 CE2 PHE A 77 13.261 20.192 -14.426 1.00 36.60 C ATOM 735 CZ PHE A 77 14.169 20.642 -15.362 1.00 37.61 C ATOM 736 H PHE A 77 15.796 16.445 -15.361 1.00 0.00 H ATOM 737 N HIS A 78 12.955 15.477 -15.090 1.00 42.01 N ATOM 738 CA HIS A 78 11.563 15.330 -15.497 1.00 37.36 C ATOM 739 C HIS A 78 11.063 13.921 -15.203 1.00 38.64 C ATOM 740 O HIS A 78 11.665 12.937 -15.633 1.00 37.72 O ATOM 741 CB HIS A 78 11.397 15.651 -16.983 1.00 40.97 C ATOM 742 CG HIS A 78 11.531 17.104 -17.306 1.00 44.51 C ATOM 743 ND1 HIS A 78 11.943 17.560 -18.541 1.00 44.99 N ATOM 744 CD2 HIS A 78 11.300 18.211 -16.559 1.00 48.30 C ATOM 745 CE1 HIS A 78 11.966 18.879 -18.538 1.00 48.78 C ATOM 746 NE2 HIS A 78 11.578 19.300 -17.346 1.00 49.96 N ATOM 747 H HIS A 78 13.711 15.285 -15.778 1.00 0.00 H ATOM 748 N GLY A 79 9.961 13.833 -14.465 1.00 38.40 N ATOM 749 CA GLY A 79 9.380 12.551 -14.114 1.00 28.88 C ATOM 750 C GLY A 79 8.906 11.778 -15.328 1.00 66.95 C ATOM 751 O GLY A 79 8.594 12.364 -16.365 1.00 28.07 O ATOM 752 H GLY A 79 9.504 14.705 -14.131 1.00 0.00 H ATOM 753 N SER A 80 8.859 10.455 -15.200 1.00 52.93 N ATOM 754 CA SER A 80 8.396 9.592 -16.281 1.00 41.00 C ATOM 755 C SER A 80 6.944 9.893 -16.619 1.00 37.93 C ATOM 756 O SER A 80 6.541 9.849 -17.781 1.00 38.59 O ATOM 757 CB SER A 80 8.549 8.119 -15.898 1.00 41.13 C ATOM 758 OG SER A 80 9.738 7.904 -15.159 1.00 49.02 O ATOM 759 HG SER A 80 9.713 8.446 -14.331 1.00 0.00 H ATOM 760 H SER A 80 9.161 10.023 -14.303 1.00 0.00 H ATOM 761 N LYS A 81 6.165 10.205 -15.590 1.00 40.93 N ATOM 762 CA LYS A 81 4.745 10.478 -15.751 1.00 35.12 C ATOM 763 C LYS A 81 4.438 11.966 -15.624 1.00 26.90 C ATOM 764 O LYS A 81 3.325 12.346 -15.264 1.00 26.83 O ATOM 765 CB LYS A 81 3.937 9.690 -14.719 1.00 33.90 C ATOM 766 CG LYS A 81 4.047 8.184 -14.864 1.00 30.71 C ATOM 767 CD LYS A 81 3.473 7.719 -16.189 1.00 31.18 C ATOM 768 CE LYS A 81 2.336 6.736 -15.974 1.00 32.95 C ATOM 769 NZ LYS A 81 2.662 5.740 -14.916 1.00 34.60 N ATOM 770 HZ1 LYS A 81 3.510 5.205 -15.194 1.00 0.00 H ATOM 771 HZ2 LYS A 81 2.842 6.235 -14.019 1.00 0.00 H ATOM 772 HZ3 LYS A 81 1.862 5.086 -14.798 1.00 0.00 H ATOM 773 H LYS A 81 6.583 10.256 -14.639 1.00 0.00 H ATOM 774 N GLU A 82 5.425 12.804 -15.916 1.00 26.33 N ATOM 775 CA GLU A 82 5.245 14.248 -15.812 1.00 30.57 C ATOM 776 C GLU A 82 4.638 14.820 -17.087 1.00 36.89 C ATOM 777 O GLU A 82 4.924 14.347 -18.185 1.00 42.75 O ATOM 778 CB GLU A 82 6.578 14.937 -15.511 1.00 33.58 C ATOM 779 CG GLU A 82 6.446 16.414 -15.169 1.00 40.50 C ATOM 780 CD GLU A 82 7.725 17.007 -14.612 1.00 45.81 C ATOM 781 OE1 GLU A 82 8.633 16.233 -14.239 1.00 45.17 O ATOM 782 OE2 GLU A 82 7.819 18.251 -14.547 1.00 48.55 O ATOM 783 H GLU A 82 6.343 12.425 -16.224 1.00 0.00 H ATOM 784 N VAL A 83 3.789 15.833 -16.932 1.00 37.46 N ATOM 785 CA VAL A 83 3.198 16.534 -18.067 1.00 36.11 C ATOM 786 C VAL A 83 3.105 18.033 -17.792 1.00 34.42 C ATOM 787 O VAL A 83 3.008 18.458 -16.641 1.00 32.62 O ATOM 788 CB VAL A 83 1.793 15.993 -18.409 1.00 25.09 C ATOM 789 CG1 VAL A 83 1.891 14.722 -19.240 1.00 25.47 C ATOM 790 CG2 VAL A 83 0.986 15.759 -17.141 1.00 25.51 C ATOM 791 H VAL A 83 3.538 16.135 -15.969 1.00 0.00 H ATOM 792 N PHE A 84 3.138 18.829 -18.856 1.00 25.55 N ATOM 793 CA PHE A 84 3.068 20.279 -18.738 1.00 26.13 C ATOM 794 C PHE A 84 1.698 20.783 -19.179 1.00 46.97 C ATOM 795 O PHE A 84 1.178 20.350 -20.203 1.00 52.93 O ATOM 796 CB PHE A 84 4.155 20.951 -19.582 1.00 26.78 C ATOM 797 CG PHE A 84 5.540 20.412 -19.352 1.00 26.97 C ATOM 798 CD1 PHE A 84 5.932 19.951 -18.106 1.00 26.78 C ATOM 799 CD2 PHE A 84 6.456 20.374 -20.392 1.00 27.78 C ATOM 800 CE1 PHE A 84 7.209 19.458 -17.905 1.00 27.30 C ATOM 801 CE2 PHE A 84 7.732 19.884 -20.198 1.00 35.71 C ATOM 802 CZ PHE A 84 8.110 19.425 -18.952 1.00 33.23 C ATOM 803 H PHE A 84 3.216 18.403 -19.802 1.00 0.00 H ATOM 804 N LEU A 85 1.115 21.696 -18.411 1.00 42.28 N ATOM 805 CA LEU A 85 -0.138 22.329 -18.811 1.00 27.62 C ATOM 806 C LEU A 85 0.167 23.522 -19.702 1.00 35.57 C ATOM 807 O LEU A 85 0.882 24.435 -19.296 1.00 43.66 O ATOM 808 CB LEU A 85 -0.947 22.762 -17.590 1.00 31.56 C ATOM 809 CG LEU A 85 -2.290 23.431 -17.882 1.00 30.07 C ATOM 810 CD1 LEU A 85 -3.146 22.535 -18.759 1.00 31.47 C ATOM 811 CD2 LEU A 85 -3.014 23.763 -16.588 1.00 51.68 C ATOM 812 H LEU A 85 1.559 21.965 -17.509 1.00 0.00 H ATOM 813 N SER A 86 -0.371 23.521 -20.916 1.00 34.80 N ATOM 814 CA SER A 86 0.033 24.517 -21.900 1.00 35.49 C ATOM 815 C SER A 86 -1.078 25.463 -22.336 1.00 36.04 C ATOM 816 O SER A 86 -2.211 25.393 -21.859 1.00 35.53 O ATOM 817 CB SER A 86 0.603 23.829 -23.138 1.00 29.49 C ATOM 818 OG SER A 86 -0.439 23.290 -23.931 1.00 29.66 O ATOM 819 HG SER A 86 -0.947 22.627 -23.400 1.00 0.00 H ATOM 820 H SER A 86 -1.084 22.806 -21.166 1.00 0.00 H ATOM 821 N ASP A 87 -0.732 26.325 -23.269 1.00 39.10 N ATOM 822 CA ASP A 87 -1.651 27.292 -23.805 1.00 40.17 C ATOM 823 C ASP A 87 -2.225 26.815 -25.100 1.00 42.91 C ATOM 824 O ASP A 87 -2.936 27.533 -25.757 1.00 45.67 O ATOM 825 CB ASP A 87 -0.939 28.608 -24.022 1.00 41.25 C ATOM 826 CG ASP A 87 0.319 28.464 -24.796 1.00 41.28 C ATOM 827 OD1 ASP A 87 0.719 27.356 -25.101 1.00 42.31 O ATOM 828 OD2 ASP A 87 0.928 29.477 -25.101 1.00 42.95 O ATOM 829 H ASP A 87 0.242 26.306 -23.632 1.00 0.00 H ATOM 830 N HIS A 88 -1.911 25.587 -25.463 1.00 40.21 N ATOM 831 CA HIS A 88 -2.205 25.061 -26.759 1.00 42.33 C ATOM 832 C HIS A 88 -3.490 24.330 -26.697 1.00 42.83 C ATOM 833 O HIS A 88 -3.622 23.386 -25.971 1.00 41.41 O ATOM 834 CB HIS A 88 -1.123 24.094 -27.132 1.00 33.76 C ATOM 835 CG HIS A 88 -1.171 23.652 -28.547 1.00 34.32 C ATOM 836 ND1 HIS A 88 -0.295 22.739 -29.063 1.00 40.50 N ATOM 837 CD2 HIS A 88 -1.988 23.997 -29.552 1.00 40.33 C ATOM 838 CE1 HIS A 88 -0.573 22.535 -30.328 1.00 43.66 C ATOM 839 NE2 HIS A 88 -1.595 23.294 -30.650 1.00 42.96 N ATOM 840 H HIS A 88 -1.428 24.974 -24.776 1.00 0.00 H ATOM 841 N TYR A 89 -4.441 24.779 -27.489 1.00 47.72 N ATOM 842 CA TYR A 89 -5.727 24.192 -27.563 1.00 48.36 C ATOM 843 C TYR A 89 -5.905 23.921 -28.998 1.00 49.97 C ATOM 844 O TYR A 89 -5.509 24.709 -29.799 1.00 49.16 O ATOM 845 CB TYR A 89 -6.770 25.220 -27.229 1.00 52.39 C ATOM 846 CG TYR A 89 -6.697 25.867 -25.886 1.00 50.75 C ATOM 847 CD1 TYR A 89 -5.642 26.648 -25.528 1.00 47.75 C ATOM 848 CD2 TYR A 89 -7.725 25.744 -25.005 1.00 49.93 C ATOM 849 CE1 TYR A 89 -5.598 27.261 -24.304 1.00 43.37 C ATOM 850 CE2 TYR A 89 -7.690 26.357 -23.788 1.00 47.32 C ATOM 851 CZ TYR A 89 -6.621 27.104 -23.452 1.00 43.31 C ATOM 852 OH TYR A 89 -6.593 27.703 -22.247 1.00 41.88 O ATOM 853 HH TYR A 89 -5.748 28.211 -22.152 1.00 0.00 H ATOM 854 H TYR A 89 -4.238 25.604 -28.089 1.00 0.00 H ATOM 855 N ASP A 90 -6.503 22.797 -29.323 1.00 50.11 N ATOM 856 CA ASP A 90 -7.147 22.598 -30.603 1.00 53.96 C ATOM 857 C ASP A 90 -8.209 21.544 -30.539 1.00 50.61 C ATOM 858 O ASP A 90 -8.424 20.979 -29.506 1.00 46.02 O ATOM 859 CB ASP A 90 -6.226 22.535 -31.833 1.00 55.49 C ATOM 860 CG ASP A 90 -5.320 21.371 -31.847 1.00 53.16 C ATOM 861 OD1 ASP A 90 -5.544 20.424 -31.099 1.00 48.28 O ATOM 862 OD2 ASP A 90 -4.358 21.419 -32.633 1.00 57.92 O ATOM 863 H ASP A 90 -6.514 22.019 -28.632 1.00 0.00 H ATOM 864 N THR A 91 -8.879 21.300 -31.647 1.00 48.75 N ATOM 865 CA THR A 91 -10.070 20.482 -31.657 1.00 50.09 C ATOM 866 C THR A 91 -9.919 19.160 -32.333 1.00 46.55 C ATOM 867 O THR A 91 -9.514 19.083 -33.457 1.00 47.79 O ATOM 868 CB THR A 91 -11.177 21.188 -32.403 1.00 58.65 C ATOM 869 OG1 THR A 91 -11.305 22.514 -31.900 1.00 68.50 O ATOM 870 CG2 THR A 91 -12.441 20.489 -32.189 1.00 54.56 C ATOM 871 HG1 THR A 91 -12.030 22.982 -32.386 1.00 0.00 H ATOM 872 H THR A 91 -8.540 21.709 -32.541 1.00 0.00 H ATOM 873 N GLN A 92 -10.320 18.124 -31.624 1.00 52.75 N ATOM 874 CA GLN A 92 -10.192 16.764 -32.046 1.00 53.88 C ATOM 875 C GLN A 92 -11.533 16.110 -31.872 1.00 56.92 C ATOM 876 O GLN A 92 -12.292 16.483 -31.009 1.00 58.33 O ATOM 877 CB GLN A 92 -9.263 16.047 -31.104 1.00 51.72 C ATOM 878 CG GLN A 92 -7.840 16.482 -31.136 1.00 51.25 C ATOM 879 CD GLN A 92 -7.276 16.350 -32.489 1.00 55.98 C ATOM 880 OE1 GLN A 92 -7.354 15.314 -33.102 1.00 61.20 O ATOM 881 NE2 GLN A 92 -6.725 17.406 -32.975 1.00 53.95 N ATOM 882 HE22 GLN A 92 -6.681 18.277 -32.409 1.00 0.00 H ATOM 883 HE21 GLN A 92 -6.324 17.389 -33.934 1.00 0.00 H ATOM 884 H GLN A 92 -10.757 18.307 -30.698 1.00 0.00 H ATOM 885 N SER A 93 -11.789 15.102 -32.678 1.00 56.79 N ATOM 886 CA SER A 93 -12.985 14.309 -32.607 1.00 61.91 C ATOM 887 C SER A 93 -12.952 13.424 -31.426 1.00 59.23 C ATOM 888 O SER A 93 -11.910 13.123 -30.939 1.00 56.83 O ATOM 889 CB SER A 93 -13.027 13.440 -33.821 1.00 70.79 C ATOM 890 OG SER A 93 -12.158 13.998 -34.771 1.00 76.81 O ATOM 891 HG SER A 93 -12.165 13.442 -35.590 1.00 0.00 H ATOM 892 H SER A 93 -11.086 14.866 -33.407 1.00 0.00 H ATOM 893 N ALA A 94 -14.107 13.017 -30.953 1.00 57.42 N ATOM 894 CA ALA A 94 -14.182 12.161 -29.794 1.00 58.15 C ATOM 895 C ALA A 94 -13.589 10.784 -29.939 1.00 60.34 C ATOM 896 O ALA A 94 -13.073 10.251 -28.997 1.00 58.85 O ATOM 897 CB ALA A 94 -15.590 12.069 -29.290 1.00 60.54 C ATOM 898 H ALA A 94 -14.985 13.317 -31.423 1.00 0.00 H ATOM 899 N ASP A 95 -13.713 10.154 -31.083 1.00 61.24 N ATOM 900 CA ASP A 95 -13.265 8.762 -31.134 1.00 69.68 C ATOM 901 C ASP A 95 -11.742 8.603 -30.947 1.00 67.74 C ATOM 902 O ASP A 95 -11.230 7.488 -31.039 1.00 73.14 O ATOM 903 CB ASP A 95 -13.677 8.139 -32.466 1.00 83.22 C ATOM 904 CG ASP A 95 -15.129 8.393 -32.792 1.00 98.68 C ATOM 905 OD1 ASP A 95 -16.008 7.664 -32.281 1.00105.68 O ATOM 906 OD2 ASP A 95 -15.384 9.379 -33.515 1.00104.26 O ATOM 907 H ASP A 95 -14.113 10.625 -31.919 1.00 0.00 H ATOM 908 N THR A 96 -11.019 9.705 -30.718 1.00 59.08 N ATOM 909 CA THR A 96 -9.566 9.648 -30.479 1.00 52.82 C ATOM 910 C THR A 96 -9.293 9.078 -29.114 1.00 55.75 C ATOM 911 O THR A 96 -8.305 8.376 -28.895 1.00 61.37 O ATOM 912 CB THR A 96 -8.853 11.040 -30.525 1.00 60.84 C ATOM 913 OG1 THR A 96 -9.626 12.025 -29.825 1.00 66.85 O ATOM 914 CG2 THR A 96 -8.575 11.498 -31.934 1.00 58.30 C ATOM 915 HG1 THR A 96 -10.517 12.106 -30.249 1.00 0.00 H ATOM 916 H THR A 96 -11.496 10.629 -30.708 1.00 0.00 H ATOM 917 N ILE A 97 -10.187 9.426 -28.199 1.00 50.08 N ATOM 918 CA ILE A 97 -10.023 9.146 -26.791 1.00 54.63 C ATOM 919 C ILE A 97 -9.774 7.662 -26.593 1.00 61.68 C ATOM 920 O ILE A 97 -10.639 6.832 -26.834 1.00 68.10 O ATOM 921 CB ILE A 97 -11.247 9.628 -26.005 1.00 56.29 C ATOM 922 CG1 ILE A 97 -11.491 11.109 -26.325 1.00 48.58 C ATOM 923 CG2 ILE A 97 -11.038 9.422 -24.522 1.00 64.01 C ATOM 924 CD1 ILE A 97 -12.616 11.754 -25.545 1.00 49.86 C ATOM 925 H ILE A 97 -11.046 9.924 -28.509 1.00 0.00 H ATOM 926 N GLU A 98 -8.534 7.367 -26.225 1.00 56.94 N ATOM 927 CA GLU A 98 -8.024 6.032 -25.961 1.00 53.52 C ATOM 928 C GLU A 98 -8.456 5.543 -24.597 1.00 53.21 C ATOM 929 O GLU A 98 -8.460 4.346 -24.322 1.00 58.70 O ATOM 930 CB GLU A 98 -6.500 6.047 -26.020 1.00 55.41 C ATOM 931 CG GLU A 98 -5.872 4.955 -26.830 1.00 69.21 C ATOM 932 CD GLU A 98 -4.410 5.224 -27.068 1.00 77.86 C ATOM 933 OE1 GLU A 98 -3.729 5.688 -26.129 1.00 77.40 O ATOM 934 OE2 GLU A 98 -3.949 5.006 -28.203 1.00 84.36 O ATOM 935 H GLU A 98 -7.870 8.160 -26.116 1.00 0.00 H ATOM 936 N GLY A 99 -8.785 6.499 -23.737 1.00 52.61 N ATOM 937 CA GLY A 99 -9.102 6.224 -22.353 1.00 54.93 C ATOM 938 C GLY A 99 -8.889 7.461 -21.506 1.00 56.66 C ATOM 939 O GLY A 99 -8.543 8.527 -22.017 1.00 56.32 O ATOM 940 H GLY A 99 -8.816 7.483 -24.071 1.00 0.00 H ATOM 941 N LYS A 100 -9.091 7.316 -20.203 1.00 58.13 N ATOM 942 CA LYS A 100 -8.984 8.443 -19.291 1.00 52.57 C ATOM 943 C LYS A 100 -7.749 8.341 -18.410 1.00 52.54 C ATOM 944 O LYS A 100 -7.158 7.272 -18.263 1.00 58.05 O ATOM 945 CB LYS A 100 -10.236 8.537 -18.422 1.00 53.01 C ATOM 946 CG LYS A 100 -11.530 8.403 -19.199 1.00 58.44 C ATOM 947 CD LYS A 100 -12.694 8.127 -18.269 1.00 68.66 C ATOM 948 CE LYS A 100 -12.824 9.211 -17.214 1.00 73.82 C ATOM 949 NZ LYS A 100 -13.874 8.876 -16.214 1.00 83.62 N ATOM 950 HZ1 LYS A 100 -14.790 8.773 -16.696 1.00 0.00 H ATOM 951 HZ2 LYS A 100 -13.628 7.983 -15.741 1.00 0.00 H ATOM 952 HZ3 LYS A 100 -13.935 9.638 -15.509 1.00 0.00 H ATOM 953 H LYS A 100 -9.331 6.377 -19.826 1.00 0.00 H ATOM 954 N CYS A 101 -7.366 9.469 -17.825 1.00 52.28 N ATOM 955 CA CYS A 101 -6.232 9.513 -16.919 1.00 49.58 C ATOM 956 C CYS A 101 -6.476 10.549 -15.838 1.00 51.63 C ATOM 957 O CYS A 101 -7.358 11.398 -15.965 1.00 54.48 O ATOM 958 CB CYS A 101 -4.942 9.843 -17.673 1.00 46.75 C ATOM 959 SG CYS A 101 -5.001 11.398 -18.595 1.00 63.33 S ATOM 960 H CYS A 101 -7.892 10.345 -18.021 1.00 0.00 H ATOM 961 N MET A 102 -5.697 10.471 -14.769 1.00 52.95 N ATOM 962 CA MET A 102 -5.683 11.528 -13.774 1.00 49.53 C ATOM 963 C MET A 102 -4.354 12.255 -13.851 1.00 43.70 C ATOM 964 O MET A 102 -3.294 11.630 -13.853 1.00 41.75 O ATOM 965 CB MET A 102 -5.908 10.974 -12.366 1.00 52.55 C ATOM 966 CG MET A 102 -7.362 10.701 -12.022 1.00 56.26 C ATOM 967 SD MET A 102 -7.562 9.195 -11.053 1.00141.94 S ATOM 968 CE MET A 102 -6.690 8.018 -12.083 1.00 81.63 C ATOM 969 H MET A 102 -5.086 9.639 -14.641 1.00 0.00 H ATOM 970 N VAL A 103 -4.414 13.576 -13.946 1.00 44.88 N ATOM 971 CA VAL A 103 -3.214 14.389 -13.847 1.00 43.36 C ATOM 972 C VAL A 103 -3.190 15.021 -12.467 1.00 48.64 C ATOM 973 O VAL A 103 -4.013 15.880 -12.150 1.00 51.20 O ATOM 974 CB VAL A 103 -3.152 15.471 -14.932 1.00 36.64 C ATOM 975 CG1 VAL A 103 -2.011 16.433 -14.649 1.00 34.77 C ATOM 976 CG2 VAL A 103 -2.994 14.832 -16.302 1.00 32.91 C ATOM 977 H VAL A 103 -5.334 14.037 -14.094 1.00 0.00 H ATOM 978 N HIS A 104 -2.252 14.575 -11.641 1.00 47.87 N ATOM 979 CA HIS A 104 -2.218 14.978 -10.245 1.00 47.95 C ATOM 980 C HIS A 104 -1.375 16.224 -10.024 1.00 44.56 C ATOM 981 O HIS A 104 -0.514 16.558 -10.836 1.00 47.54 O ATOM 982 CB HIS A 104 -1.681 13.839 -9.375 1.00 48.80 C ATOM 983 CG HIS A 104 -2.442 12.558 -9.516 1.00 49.15 C ATOM 984 ND1 HIS A 104 -3.647 12.334 -8.886 1.00 53.11 N ATOM 985 CD2 HIS A 104 -2.164 11.428 -10.209 1.00 46.12 C ATOM 986 CE1 HIS A 104 -4.081 11.124 -9.188 1.00 53.32 C ATOM 987 NE2 HIS A 104 -3.200 10.553 -9.990 1.00 49.85 N ATOM 988 H HIS A 104 -1.526 13.923 -12.000 1.00 0.00 H ATOM 989 N SER A 105 -1.633 16.915 -8.919 1.00 42.99 N ATOM 990 CA SER A 105 -0.707 17.929 -8.447 1.00 42.51 C ATOM 991 C SER A 105 0.532 17.198 -7.955 1.00 46.27 C ATOM 992 O SER A 105 0.480 15.996 -7.692 1.00 58.82 O ATOM 993 CB SER A 105 -1.325 18.780 -7.338 1.00 47.95 C ATOM 994 OG SER A 105 -1.201 18.145 -6.078 1.00 51.48 O ATOM 995 HG SER A 105 -1.665 17.271 -6.103 1.00 0.00 H ATOM 996 H SER A 105 -2.507 16.728 -8.387 1.00 0.00 H ATOM 997 N PHE A 106 1.642 17.917 -7.840 1.00 38.45 N ATOM 998 CA PHE A 106 2.913 17.327 -7.428 1.00 40.35 C ATOM 999 C PHE A 106 2.785 16.572 -6.101 1.00 46.71 C ATOM 1000 O PHE A 106 3.102 15.375 -6.007 1.00 49.87 O ATOM 1001 CB PHE A 106 3.972 18.424 -7.318 1.00 37.12 C ATOM 1002 CG PHE A 106 5.380 17.919 -7.370 1.00 40.62 C ATOM 1003 CD1 PHE A 106 5.734 16.903 -8.239 1.00 41.61 C ATOM 1004 CD2 PHE A 106 6.357 18.477 -6.565 1.00 49.71 C ATOM 1005 CE1 PHE A 106 7.034 16.441 -8.292 1.00 48.32 C ATOM 1006 CE2 PHE A 106 7.658 18.021 -6.615 1.00 55.51 C ATOM 1007 CZ PHE A 106 7.997 17.001 -7.480 1.00 53.53 C ATOM 1008 H PHE A 106 1.605 18.935 -8.050 1.00 0.00 H ATOM 1009 N LYS A 107 2.299 17.287 -5.091 1.00 45.28 N ATOM 1010 CA LYS A 107 2.103 16.747 -3.750 1.00 52.90 C ATOM 1011 C LYS A 107 1.294 15.452 -3.751 1.00 58.50 C ATOM 1012 O LYS A 107 1.742 14.419 -3.241 1.00 61.56 O ATOM 1013 CB LYS A 107 1.407 17.790 -2.871 1.00 54.79 C ATOM 1014 CG LYS A 107 1.384 17.457 -1.391 1.00 61.54 C ATOM 1015 CD LYS A 107 0.576 18.484 -0.612 1.00 70.49 C ATOM 1016 CE LYS A 107 -0.909 18.369 -0.927 1.00 75.13 C ATOM 1017 NZ LYS A 107 -1.742 19.200 -0.015 1.00 81.11 N ATOM 1018 HZ1 LYS A 107 -1.594 18.890 0.967 1.00 0.00 H ATOM 1019 HZ2 LYS A 107 -1.467 20.198 -0.110 1.00 0.00 H ATOM 1020 HZ3 LYS A 107 -2.745 19.090 -0.267 1.00 0.00 H ATOM 1021 H LYS A 107 2.046 18.281 -5.266 1.00 0.00 H ATOM 1022 N ASN A 108 0.103 15.514 -4.338 1.00 57.63 N ATOM 1023 CA ASN A 108 -0.807 14.376 -4.355 1.00 57.37 C ATOM 1024 C ASN A 108 -0.257 13.195 -5.149 1.00 55.21 C ATOM 1025 O ASN A 108 -0.595 12.044 -4.872 1.00 60.85 O ATOM 1026 CB ASN A 108 -2.163 14.802 -4.914 1.00 58.87 C ATOM 1027 CG ASN A 108 -2.724 16.018 -4.204 1.00 66.86 C ATOM 1028 OD1 ASN A 108 -3.039 17.028 -4.833 1.00 71.86 O ATOM 1029 ND2 ASN A 108 -2.841 15.931 -2.884 1.00 69.45 N ATOM 1030 HD22 ASN A 108 -2.562 15.057 -2.394 1.00 0.00 H ATOM 1031 HD21 ASN A 108 -3.211 16.737 -2.341 1.00 0.00 H ATOM 1032 H ASN A 108 -0.188 16.400 -4.798 1.00 0.00 H ATOM 1033 N TYR A 109 0.617 13.445 -6.105 1.00 48.17 N ATOM 1034 CA TYR A 109 1.298 12.358 -6.774 1.00 48.46 C ATOM 1035 C TYR A 109 2.173 11.648 -5.806 1.00 55.34 C ATOM 1036 O TYR A 109 2.272 10.457 -5.811 1.00 58.44 O ATOM 1037 CB TYR A 109 2.147 12.887 -7.899 1.00 44.65 C ATOM 1038 CG TYR A 109 2.934 11.862 -8.683 1.00 45.08 C ATOM 1039 CD1 TYR A 109 2.377 11.185 -9.729 1.00 43.67 C ATOM 1040 CD2 TYR A 109 4.249 11.621 -8.407 1.00 44.70 C ATOM 1041 CE1 TYR A 109 3.103 10.276 -10.453 1.00 42.29 C ATOM 1042 CE2 TYR A 109 4.973 10.719 -9.133 1.00 42.94 C ATOM 1043 CZ TYR A 109 4.388 10.061 -10.152 1.00 40.29 C ATOM 1044 OH TYR A 109 5.126 9.172 -10.849 1.00 34.08 O ATOM 1045 HH TYR A 109 4.569 8.769 -11.561 1.00 0.00 H ATOM 1046 H TYR A 109 0.817 14.428 -6.379 1.00 0.00 H ATOM 1047 N THR A 110 2.843 12.406 -4.974 1.00 57.46 N ATOM 1048 CA THR A 110 3.781 11.853 -4.031 1.00 58.48 C ATOM 1049 C THR A 110 3.054 10.999 -3.067 1.00 63.12 C ATOM 1050 O THR A 110 3.578 10.040 -2.576 1.00 64.68 O ATOM 1051 CB THR A 110 4.443 12.955 -3.271 1.00 56.74 C ATOM 1052 OG1 THR A 110 5.280 13.652 -4.181 1.00 49.72 O ATOM 1053 CG2 THR A 110 5.287 12.362 -2.217 1.00 64.01 C ATOM 1054 HG1 THR A 110 4.731 14.019 -4.918 1.00 0.00 H ATOM 1055 H THR A 110 2.694 13.435 -4.995 1.00 0.00 H ATOM 1056 N LYS A 111 1.854 11.415 -2.735 1.00 61.74 N ATOM 1057 CA LYS A 111 0.984 10.696 -1.821 1.00 66.95 C ATOM 1058 C LYS A 111 0.523 9.339 -2.290 1.00 69.59 C ATOM 1059 O LYS A 111 0.192 8.485 -1.490 1.00 76.17 O ATOM 1060 CB LYS A 111 -0.232 11.528 -1.498 1.00 70.42 C ATOM 1061 CG LYS A 111 0.128 12.884 -0.956 1.00 73.37 C ATOM 1062 CD LYS A 111 0.089 12.898 0.549 1.00 78.70 C ATOM 1063 CE LYS A 111 -0.193 14.294 1.058 1.00 81.18 C ATOM 1064 NZ LYS A 111 -1.651 14.567 1.049 1.00 83.41 N ATOM 1065 HZ1 LYS A 111 -2.012 14.482 0.078 1.00 0.00 H ATOM 1066 HZ2 LYS A 111 -2.135 13.880 1.661 1.00 0.00 H ATOM 1067 HZ3 LYS A 111 -1.824 15.530 1.402 1.00 0.00 H ATOM 1068 H LYS A 111 1.509 12.305 -3.148 1.00 0.00 H ATOM 1069 N LEU A 112 0.444 9.146 -3.590 1.00 75.32 N ATOM 1070 CA LEU A 112 -0.177 7.959 -4.113 1.00 68.78 C ATOM 1071 C LEU A 112 0.549 6.784 -3.560 1.00 70.23 C ATOM 1072 O LEU A 112 1.745 6.798 -3.475 1.00 67.49 O ATOM 1073 CB LEU A 112 -0.027 7.934 -5.608 1.00 54.76 C ATOM 1074 CG LEU A 112 -0.711 9.054 -6.321 1.00 47.95 C ATOM 1075 CD1 LEU A 112 -0.445 8.793 -7.767 1.00 46.42 C ATOM 1076 CD2 LEU A 112 -2.182 8.963 -6.052 1.00 48.69 C ATOM 1077 H LEU A 112 0.833 9.856 -4.243 1.00 0.00 H ATOM 1078 N ASP A 113 -0.182 5.772 -3.140 1.00 72.28 N ATOM 1079 CA ASP A 113 0.442 4.546 -2.731 1.00 75.75 C ATOM 1080 C ASP A 113 1.118 3.909 -3.902 1.00 71.30 C ATOM 1081 O ASP A 113 2.238 3.456 -3.816 1.00 73.00 O ATOM 1082 CB ASP A 113 -0.611 3.594 -2.222 1.00 85.83 C ATOM 1083 CG ASP A 113 -1.332 4.128 -1.034 1.00 94.54 C ATOM 1084 OD1 ASP A 113 -0.700 4.269 0.025 1.00 98.71 O ATOM 1085 OD2 ASP A 113 -2.534 4.405 -1.159 1.00 97.72 O ATOM 1086 H ASP A 113 -1.218 5.862 -3.105 1.00 0.00 H ATOM 1087 N ALA A 114 0.423 3.886 -5.018 1.00 67.02 N ATOM 1088 CA ALA A 114 0.935 3.209 -6.176 1.00 64.56 C ATOM 1089 C ALA A 114 0.515 3.971 -7.370 1.00 62.23 C ATOM 1090 O ALA A 114 -0.484 4.634 -7.342 1.00 63.93 O ATOM 1091 CB ALA A 114 0.389 1.811 -6.241 1.00 67.68 C ATOM 1092 H ALA A 114 -0.502 4.360 -5.062 1.00 0.00 H ATOM 1093 N VAL A 115 1.321 3.895 -8.400 1.00 59.59 N ATOM 1094 CA VAL A 115 1.137 4.742 -9.523 1.00 59.37 C ATOM 1095 C VAL A 115 0.699 3.950 -10.715 1.00 58.48 C ATOM 1096 O VAL A 115 1.395 3.088 -11.195 1.00 58.58 O ATOM 1097 CB VAL A 115 2.442 5.429 -9.814 1.00 61.58 C ATOM 1098 CG1 VAL A 115 2.245 6.461 -10.873 1.00 62.14 C ATOM 1099 CG2 VAL A 115 2.941 6.086 -8.554 1.00 63.22 C ATOM 1100 H VAL A 115 2.102 3.208 -8.394 1.00 0.00 H ATOM 1101 N GLY A 116 -0.483 4.263 -11.187 1.00 59.11 N ATOM 1102 CA GLY A 116 -1.083 3.509 -12.235 1.00 59.93 C ATOM 1103 C GLY A 116 -0.525 3.904 -13.546 1.00 59.52 C ATOM 1104 O GLY A 116 -0.065 4.990 -13.718 1.00 59.93 O ATOM 1105 H GLY A 116 -0.992 5.078 -10.788 1.00 0.00 H ATOM 1106 N ASN A 117 -0.693 3.048 -14.522 1.00 60.11 N ATOM 1107 CA ASN A 117 -0.224 3.333 -15.845 1.00 60.01 C ATOM 1108 C ASN A 117 -0.864 4.631 -16.282 1.00 66.65 C ATOM 1109 O ASN A 117 -0.361 5.314 -17.139 1.00 66.43 O ATOM 1110 CB ASN A 117 -0.694 2.230 -16.763 1.00 56.35 C ATOM 1111 CG ASN A 117 0.413 1.338 -17.207 1.00 54.70 C ATOM 1112 OD1 ASN A 117 1.340 1.088 -16.478 1.00 53.77 O ATOM 1113 ND2 ASN A 117 0.317 0.853 -18.414 1.00 56.76 N ATOM 1114 HD22 ASN A 117 -0.501 1.096 -19.008 1.00 0.00 H ATOM 1115 HD21 ASN A 117 1.059 0.224 -18.782 1.00 0.00 H ATOM 1116 H ASN A 117 -1.175 2.146 -14.334 1.00 0.00 H ATOM 1117 N ASP A 118 -2.013 4.935 -15.718 1.00 62.39 N ATOM 1118 CA ASP A 118 -2.791 6.074 -16.111 1.00 63.46 C ATOM 1119 C ASP A 118 -2.678 7.233 -15.159 1.00 58.64 C ATOM 1120 O ASP A 118 -3.499 8.108 -15.190 1.00 61.45 O ATOM 1121 CB ASP A 118 -4.248 5.674 -16.256 1.00 77.19 C ATOM 1122 CG ASP A 118 -4.814 5.067 -14.998 1.00 89.81 C ATOM 1123 OD1 ASP A 118 -4.453 3.929 -14.659 1.00 96.92 O ATOM 1124 OD2 ASP A 118 -5.643 5.718 -14.348 1.00 93.22 O ATOM 1125 H ASP A 118 -2.372 4.325 -14.956 1.00 0.00 H ATOM 1126 N ASP A 119 -1.691 7.229 -14.281 1.00 61.54 N ATOM 1127 CA ASP A 119 -1.554 8.313 -13.323 1.00 50.86 C ATOM 1128 C ASP A 119 -0.394 9.218 -13.685 1.00 47.35 C ATOM 1129 O ASP A 119 0.709 8.773 -13.750 1.00 46.52 O ATOM 1130 CB ASP A 119 -1.295 7.730 -11.947 1.00 51.43 C ATOM 1131 CG ASP A 119 -2.528 7.165 -11.304 1.00 63.28 C ATOM 1132 OD1 ASP A 119 -3.482 7.917 -11.092 1.00 66.78 O ATOM 1133 OD2 ASP A 119 -2.542 5.974 -10.968 1.00 70.11 O ATOM 1134 H ASP A 119 -1.008 6.445 -14.275 1.00 0.00 H ATOM 1135 N PHE A 120 -0.661 10.497 -13.896 1.00 53.77 N ATOM 1136 CA PHE A 120 0.332 11.504 -14.257 1.00 32.11 C ATOM 1137 C PHE A 120 0.430 12.581 -13.184 1.00 37.49 C ATOM 1138 O PHE A 120 -0.293 12.544 -12.190 1.00 40.59 O ATOM 1139 CB PHE A 120 -0.017 12.150 -15.599 1.00 30.40 C ATOM 1140 CG PHE A 120 0.014 11.202 -16.760 1.00 30.74 C ATOM 1141 CD1 PHE A 120 1.160 11.063 -17.524 1.00 30.54 C ATOM 1142 CD2 PHE A 120 -1.105 10.461 -17.098 1.00 31.73 C ATOM 1143 CE1 PHE A 120 1.192 10.197 -18.598 1.00 31.28 C ATOM 1144 CE2 PHE A 120 -1.079 9.592 -18.171 1.00 32.44 C ATOM 1145 CZ PHE A 120 0.071 9.460 -18.922 1.00 32.19 C ATOM 1146 H PHE A 120 -1.649 10.807 -13.798 1.00 0.00 H ATOM 1147 N PHE A 121 1.323 13.544 -13.388 1.00 33.81 N ATOM 1148 CA PHE A 121 1.389 14.705 -12.507 1.00 35.73 C ATOM 1149 C PHE A 121 1.893 15.937 -13.248 1.00 29.48 C ATOM 1150 O PHE A 121 2.532 15.827 -14.294 1.00 28.76 O ATOM 1151 CB PHE A 121 2.274 14.421 -11.289 1.00 39.85 C ATOM 1152 CG PHE A 121 3.750 14.470 -11.573 1.00 41.52 C ATOM 1153 CD1 PHE A 121 4.409 13.364 -12.081 1.00 41.35 C ATOM 1154 CD2 PHE A 121 4.483 15.615 -11.302 1.00 40.75 C ATOM 1155 CE1 PHE A 121 5.769 13.404 -12.332 1.00 40.09 C ATOM 1156 CE2 PHE A 121 5.842 15.661 -11.552 1.00 39.68 C ATOM 1157 CZ PHE A 121 6.486 14.554 -12.065 1.00 39.22 C ATOM 1158 H PHE A 121 1.984 13.469 -14.187 1.00 0.00 H ATOM 1159 N CYS A 122 1.604 17.109 -12.693 1.00 29.46 N ATOM 1160 CA CYS A 122 1.966 18.371 -13.329 1.00 39.42 C ATOM 1161 C CYS A 122 2.509 19.381 -12.320 1.00 37.43 C ATOM 1162 O CYS A 122 1.932 19.580 -11.251 1.00 37.08 O ATOM 1163 CB CYS A 122 0.757 18.958 -14.059 1.00 27.34 C ATOM 1164 SG CYS A 122 1.078 20.507 -14.930 1.00 52.78 S ATOM 1165 H CYS A 122 1.106 17.127 -11.780 1.00 0.00 H ATOM 1166 N ARG A 123 3.623 20.019 -12.667 1.00 35.12 N ATOM 1167 CA ARG A 123 4.215 21.039 -11.810 1.00 37.65 C ATOM 1168 C ARG A 123 4.581 22.289 -12.603 1.00 44.53 C ATOM 1169 O ARG A 123 4.922 23.322 -12.027 1.00 52.95 O ATOM 1170 CB ARG A 123 5.452 20.494 -11.095 1.00 38.36 C ATOM 1171 CG ARG A 123 6.548 19.996 -12.023 1.00 42.55 C ATOM 1172 CD ARG A 123 7.894 20.002 -11.316 1.00 48.71 C ATOM 1173 NE ARG A 123 8.799 18.979 -11.831 1.00 52.16 N ATOM 1174 CZ ARG A 123 9.699 18.342 -11.089 1.00 49.52 C ATOM 1175 NH1 ARG A 123 9.814 18.626 -9.798 1.00 51.43 N ATOM 1176 NH2 ARG A 123 10.484 17.424 -11.634 1.00 48.17 N ATOM 1177 HE ARG A 123 8.736 18.734 -12.840 1.00 0.00 H ATOM 1178 HH12 ARG A 123 10.518 18.128 -9.217 1.00 0.00 H ATOM 1179 HH11 ARG A 123 9.200 19.347 -9.367 1.00 0.00 H ATOM 1180 HH22 ARG A 123 11.187 16.928 -11.050 1.00 0.00 H ATOM 1181 HH21 ARG A 123 10.397 17.200 -12.646 1.00 0.00 H ATOM 1182 H ARG A 123 4.082 19.785 -13.570 1.00 0.00 H ATOM 1183 N PHE A 124 4.511 22.192 -13.926 1.00 39.76 N ATOM 1184 CA PHE A 124 4.833 23.323 -14.786 1.00 35.80 C ATOM 1185 C PHE A 124 3.662 23.749 -15.652 1.00 34.42 C ATOM 1186 O PHE A 124 2.832 22.931 -16.045 1.00 33.77 O ATOM 1187 CB PHE A 124 6.017 22.996 -15.698 1.00 37.34 C ATOM 1188 CG PHE A 124 7.315 22.827 -14.974 1.00 43.86 C ATOM 1189 CD1 PHE A 124 7.829 23.852 -14.200 1.00 47.07 C ATOM 1190 CD2 PHE A 124 8.034 21.650 -15.086 1.00 50.35 C ATOM 1191 CE1 PHE A 124 9.029 23.701 -13.537 1.00 54.49 C ATOM 1192 CE2 PHE A 124 9.236 21.491 -14.427 1.00 54.44 C ATOM 1193 CZ PHE A 124 9.734 22.518 -13.651 1.00 58.32 C ATOM 1194 H PHE A 124 4.221 21.291 -14.356 1.00 0.00 H ATOM 1195 N GLU A 125 3.603 25.042 -15.944 1.00 37.77 N ATOM 1196 CA GLU A 125 2.802 25.523 -17.054 1.00 34.28 C ATOM 1197 C GLU A 125 3.751 25.724 -18.224 1.00 36.62 C ATOM 1198 O GLU A 125 4.921 26.054 -18.029 1.00 41.69 O ATOM 1199 CB GLU A 125 2.064 26.813 -16.706 1.00 44.39 C ATOM 1200 CG GLU A 125 0.981 26.634 -15.659 1.00 58.34 C ATOM 1201 CD GLU A 125 -0.009 27.780 -15.647 1.00 71.75 C ATOM 1202 OE1 GLU A 125 -0.320 28.310 -16.735 1.00 75.46 O ATOM 1203 OE2 GLU A 125 -0.476 28.151 -14.550 1.00 77.61 O ATOM 1204 H GLU A 125 4.140 25.722 -15.368 1.00 0.00 H ATOM 1205 N TYR A 126 3.256 25.514 -19.437 1.00 36.77 N ATOM 1206 CA TYR A 126 4.121 25.517 -20.608 1.00 36.13 C ATOM 1207 C TYR A 126 3.620 26.470 -21.683 1.00 41.83 C ATOM 1208 O TYR A 126 2.417 26.591 -21.909 1.00 46.36 O ATOM 1209 CB TYR A 126 4.233 24.099 -21.169 1.00 29.42 C ATOM 1210 CG TYR A 126 5.167 23.950 -22.346 1.00 30.69 C ATOM 1211 CD1 TYR A 126 6.538 24.103 -22.193 1.00 37.75 C ATOM 1212 CD2 TYR A 126 4.680 23.631 -23.607 1.00 30.43 C ATOM 1213 CE1 TYR A 126 7.396 23.958 -23.266 1.00 39.20 C ATOM 1214 CE2 TYR A 126 5.531 23.482 -24.685 1.00 32.09 C ATOM 1215 CZ TYR A 126 6.887 23.648 -24.509 1.00 34.12 C ATOM 1216 OH TYR A 126 7.738 23.501 -25.578 1.00 36.33 O ATOM 1217 HH TYR A 126 8.670 23.653 -25.280 1.00 0.00 H ATOM 1218 H TYR A 126 2.236 25.345 -19.553 1.00 0.00 H ATOM 1219 N ASN A 127 4.550 27.152 -22.340 1.00 38.62 N ATOM 1220 CA ASN A 127 4.203 28.007 -23.464 1.00 42.63 C ATOM 1221 C ASN A 127 4.650 27.355 -24.766 1.00 41.33 C ATOM 1222 O ASN A 127 5.831 27.382 -25.110 1.00 40.40 O ATOM 1223 CB ASN A 127 4.832 29.392 -23.310 1.00 49.37 C ATOM 1224 CG ASN A 127 4.196 30.424 -24.221 1.00 47.89 C ATOM 1225 OD1 ASN A 127 4.441 30.441 -25.427 1.00 43.73 O ATOM 1226 ND2 ASN A 127 3.370 31.291 -23.646 1.00 49.40 N ATOM 1227 HD22 ASN A 127 3.192 31.240 -22.623 1.00 0.00 H ATOM 1228 HD21 ASN A 127 2.901 32.021 -24.219 1.00 0.00 H ATOM 1229 H ASN A 127 5.544 27.074 -22.046 1.00 0.00 H ATOM 1230 N SER A 128 3.692 26.769 -25.479 1.00 41.09 N ATOM 1231 CA SER A 128 3.961 25.999 -26.691 1.00 36.90 C ATOM 1232 C SER A 128 4.718 26.787 -27.755 1.00 38.91 C ATOM 1233 O SER A 128 5.483 26.219 -28.533 1.00 36.17 O ATOM 1234 CB SER A 128 2.648 25.486 -27.280 1.00 34.55 C ATOM 1235 OG SER A 128 1.702 26.536 -27.381 1.00 37.46 O ATOM 1236 HG SER A 128 1.526 26.908 -26.481 1.00 0.00 H ATOM 1237 H SER A 128 2.707 26.863 -25.159 1.00 0.00 H ATOM 1238 N SER A 129 4.497 28.097 -27.782 1.00 33.15 N ATOM 1239 CA SER A 129 5.112 28.962 -28.780 1.00 38.70 C ATOM 1240 C SER A 129 6.568 29.275 -28.451 1.00 38.34 C ATOM 1241 O SER A 129 7.451 29.124 -29.295 1.00 40.93 O ATOM 1242 CB SER A 129 4.321 30.264 -28.907 1.00 49.00 C ATOM 1243 OG SER A 129 2.931 30.028 -28.781 1.00 52.99 O ATOM 1244 HG SER A 129 2.443 30.885 -28.867 1.00 0.00 H ATOM 1245 H SER A 129 3.866 28.517 -27.070 1.00 0.00 H ATOM 1246 N THR A 130 6.808 29.710 -27.218 1.00 42.83 N ATOM 1247 CA THR A 130 8.126 30.180 -26.808 1.00 45.17 C ATOM 1248 C THR A 130 8.952 29.092 -26.129 1.00 49.92 C ATOM 1249 O THR A 130 10.172 29.040 -26.283 1.00 54.82 O ATOM 1250 CB THR A 130 8.010 31.373 -25.847 1.00 44.97 C ATOM 1251 OG1 THR A 130 7.417 30.938 -24.618 1.00 40.25 O ATOM 1252 CG2 THR A 130 7.140 32.453 -26.456 1.00 51.19 C ATOM 1253 HG1 THR A 130 6.516 30.570 -24.800 1.00 0.00 H ATOM 1254 H THR A 130 6.032 29.715 -26.525 1.00 0.00 H ATOM 1255 N GLY A 131 8.281 28.230 -25.372 1.00 40.71 N ATOM 1256 CA GLY A 131 8.957 27.184 -24.627 1.00 44.05 C ATOM 1257 C GLY A 131 9.299 27.635 -23.221 1.00 51.05 C ATOM 1258 O GLY A 131 10.067 26.980 -22.517 1.00 51.98 O ATOM 1259 H GLY A 131 7.246 28.307 -25.312 1.00 0.00 H ATOM 1260 N ALA A 132 8.724 28.762 -22.814 1.00 52.23 N ATOM 1261 CA ALA A 132 8.983 29.324 -21.494 1.00 59.61 C ATOM 1262 C ALA A 132 8.101 28.671 -20.436 1.00 52.63 C ATOM 1263 O ALA A 132 6.934 28.368 -20.687 1.00 48.65 O ATOM 1264 CB ALA A 132 8.770 30.828 -21.510 1.00 71.01 C ATOM 1265 H ALA A 132 8.071 29.257 -23.455 1.00 0.00 H ATOM 1266 N PHE A 133 8.665 28.465 -19.250 1.00 59.54 N ATOM 1267 CA PHE A 133 7.970 27.763 -18.177 1.00 46.49 C ATOM 1268 C PHE A 133 7.482 28.684 -17.067 1.00 40.69 C ATOM 1269 O PHE A 133 8.103 29.703 -16.767 1.00 42.50 O ATOM 1270 CB PHE A 133 8.879 26.698 -17.562 1.00 43.72 C ATOM 1271 CG PHE A 133 9.097 25.501 -18.438 1.00 42.41 C ATOM 1272 CD1 PHE A 133 8.208 24.441 -18.415 1.00 40.99 C ATOM 1273 CD2 PHE A 133 10.198 25.430 -19.273 1.00 45.09 C ATOM 1274 CE1 PHE A 133 8.410 23.334 -19.215 1.00 40.27 C ATOM 1275 CE2 PHE A 133 10.405 24.326 -20.077 1.00 44.53 C ATOM 1276 CZ PHE A 133 9.510 23.276 -20.048 1.00 42.75 C ATOM 1277 H PHE A 133 9.630 28.815 -19.082 1.00 0.00 H ATOM 1278 N ASN A 134 6.364 28.307 -16.460 1.00 36.91 N ATOM 1279 CA ASN A 134 5.918 28.910 -15.213 1.00 37.43 C ATOM 1280 C ASN A 134 5.631 27.803 -14.206 1.00 40.90 C ATOM 1281 O ASN A 134 4.757 26.966 -14.437 1.00 39.90 O ATOM 1282 CB ASN A 134 4.682 29.783 -15.427 1.00 37.58 C ATOM 1283 CG ASN A 134 4.362 30.643 -14.218 1.00 42.92 C ATOM 1284 OD1 ASN A 134 3.438 30.350 -13.460 1.00 43.01 O ATOM 1285 ND2 ASN A 134 5.132 31.709 -14.030 1.00 48.74 N ATOM 1286 HD22 ASN A 134 5.902 31.918 -14.697 1.00 0.00 H ATOM 1287 HD21 ASN A 134 4.965 32.334 -13.216 1.00 0.00 H ATOM 1288 H ASN A 134 5.787 27.556 -16.890 1.00 0.00 H ATOM 1289 N PRO A 135 6.363 27.792 -13.080 1.00 36.98 N ATOM 1290 CA PRO A 135 7.328 28.817 -12.667 1.00 38.56 C ATOM 1291 C PRO A 135 8.669 28.748 -13.395 1.00 51.36 C ATOM 1292 O PRO A 135 9.043 27.707 -13.933 1.00 49.99 O ATOM 1293 CB PRO A 135 7.514 28.525 -11.180 1.00 40.24 C ATOM 1294 CG PRO A 135 7.333 27.059 -11.083 1.00 38.61 C ATOM 1295 CD PRO A 135 6.273 26.702 -12.094 1.00 35.66 C ATOM 1296 N ASP A 136 9.387 29.848 -13.352 1.00 54.30 N ATOM 1297 CA ASP A 136 10.684 29.983 -13.953 1.00 57.67 C ATOM 1298 C ASP A 136 11.727 29.111 -13.335 1.00 56.24 C ATOM 1299 O ASP A 136 12.568 28.599 -14.032 1.00 53.21 O ATOM 1300 CB ASP A 136 11.126 31.426 -13.835 1.00 65.16 C ATOM 1301 CG ASP A 136 11.519 32.009 -15.139 1.00 71.81 C ATOM 1302 OD1 ASP A 136 12.452 31.509 -15.751 1.00 79.14 O ATOM 1303 OD2 ASP A 136 10.895 32.963 -15.566 1.00 73.45 O ATOM 1304 H ASP A 136 8.992 30.670 -12.853 1.00 0.00 H ATOM 1305 N ARG A 137 11.694 28.991 -12.014 1.00 60.31 N ATOM 1306 CA ARG A 137 12.712 28.290 -11.257 1.00 66.02 C ATOM 1307 C ARG A 137 12.108 27.487 -10.145 1.00 59.32 C ATOM 1308 O ARG A 137 11.057 27.801 -9.655 1.00 45.93 O ATOM 1309 CB ARG A 137 13.664 29.284 -10.635 1.00 51.33 C ATOM 1310 CG ARG A 137 13.412 30.729 -11.023 1.00 53.88 C ATOM 1311 CD ARG A 137 13.863 31.714 -9.958 1.00 57.52 C ATOM 1312 NE ARG A 137 14.907 31.181 -9.117 1.00 57.41 N ATOM 1313 CZ ARG A 137 16.155 31.062 -9.505 1.00 59.26 C ATOM 1314 NH1 ARG A 137 16.516 31.442 -10.711 1.00 59.38 N ATOM 1315 NH2 ARG A 137 17.038 30.565 -8.680 1.00 61.10 N ATOM 1316 HE ARG A 137 14.658 30.876 -8.155 1.00 0.00 H ATOM 1317 HH12 ARG A 137 17.507 31.345 -11.012 1.00 0.00 H ATOM 1318 HH11 ARG A 137 15.811 31.840 -11.364 1.00 0.00 H ATOM 1319 HH22 ARG A 137 18.030 30.466 -8.977 1.00 0.00 H ATOM 1320 HH21 ARG A 137 16.749 30.268 -7.726 1.00 0.00 H ATOM 1321 H ARG A 137 10.900 29.420 -11.497 1.00 0.00 H ATOM 1322 N VAL A 138 12.800 26.452 -9.716 1.00 54.09 N ATOM 1323 CA VAL A 138 12.285 25.596 -8.668 1.00 49.65 C ATOM 1324 C VAL A 138 13.354 25.148 -7.712 1.00 54.25 C ATOM 1325 O VAL A 138 14.518 25.283 -7.983 1.00 59.64 O ATOM 1326 CB VAL A 138 11.626 24.355 -9.233 1.00 43.55 C ATOM 1327 CG1 VAL A 138 10.198 24.655 -9.590 1.00 41.28 C ATOM 1328 CG2 VAL A 138 12.402 23.846 -10.423 1.00 43.29 C ATOM 1329 H VAL A 138 13.729 26.247 -10.136 1.00 0.00 H ATOM 1330 N ALA A 139 12.934 24.637 -6.575 1.00 48.56 N ATOM 1331 CA ALA A 139 13.856 24.187 -5.538 1.00 50.80 C ATOM 1332 C ALA A 139 14.749 23.055 -6.039 1.00 51.34 C ATOM 1333 O ALA A 139 14.293 22.170 -6.762 1.00 49.21 O ATOM 1334 CB ALA A 139 13.083 23.746 -4.304 1.00 50.41 C ATOM 1335 H ALA A 139 11.911 24.551 -6.410 1.00 0.00 H ATOM 1336 N VAL A 140 16.020 23.086 -5.649 1.00 53.40 N ATOM 1337 CA VAL A 140 16.984 22.080 -6.090 1.00 53.64 C ATOM 1338 C VAL A 140 17.603 21.329 -4.908 1.00 59.29 C ATOM 1339 O VAL A 140 17.545 21.794 -3.770 1.00 57.15 O ATOM 1340 CB VAL A 140 18.103 22.713 -6.934 1.00 55.46 C ATOM 1341 CG1 VAL A 140 17.517 23.394 -8.160 1.00 53.81 C ATOM 1342 CG2 VAL A 140 18.897 23.705 -6.103 1.00 59.00 C ATOM 1343 H VAL A 140 16.336 23.846 -5.014 1.00 0.00 H ATOM 1344 N TYR A 141 18.189 20.165 -5.185 1.00 59.90 N ATOM 1345 CA TYR A 141 18.700 19.291 -4.128 1.00 56.44 C ATOM 1346 C TYR A 141 19.982 18.553 -4.514 1.00 57.72 C ATOM 1347 O TYR A 141 20.383 18.549 -5.677 1.00 57.10 O ATOM 1348 CB TYR A 141 17.634 18.265 -3.731 1.00 54.01 C ATOM 1349 CG TYR A 141 16.323 18.873 -3.295 1.00 52.72 C ATOM 1350 CD1 TYR A 141 15.293 19.075 -4.202 1.00 49.96 C ATOM 1351 CD2 TYR A 141 16.116 19.247 -1.976 1.00 54.38 C ATOM 1352 CE1 TYR A 141 14.093 19.633 -3.808 1.00 48.85 C ATOM 1353 CE2 TYR A 141 14.920 19.805 -1.572 1.00 58.61 C ATOM 1354 CZ TYR A 141 13.912 19.996 -2.491 1.00 53.56 C ATOM 1355 OH TYR A 141 12.719 20.552 -2.091 1.00 51.57 O ATOM 1356 HH TYR A 141 12.110 20.618 -2.869 1.00 0.00 H ATOM 1357 H TYR A 141 18.286 19.870 -6.178 1.00 0.00 H ATOM 1358 N CYS A 142 20.609 17.931 -3.516 1.00 59.63 N ATOM 1359 CA CYS A 142 21.787 17.081 -3.700 1.00 68.27 C ATOM 1360 C CYS A 142 22.985 17.834 -4.270 1.00 73.02 C ATOM 1361 O CYS A 142 22.962 19.056 -4.407 1.00 74.13 O ATOM 1362 CB CYS A 142 21.446 15.887 -4.599 1.00 58.09 C ATOM 1363 SG CYS A 142 22.721 14.608 -4.671 1.00102.58 S ATOM 1364 H CYS A 142 20.241 18.056 -2.552 1.00 0.00 H ATOM 1365 N LYS A 143 24.037 17.090 -4.594 1.00 78.32 N ATOM 1366 CA LYS A 143 25.256 17.682 -5.128 1.00 78.47 C ATOM 1367 C LYS A 143 25.083 18.112 -6.575 1.00 78.54 C ATOM 1368 O LYS A 143 25.821 18.962 -7.074 1.00 82.01 O ATOM 1369 CB LYS A 143 26.415 16.699 -5.014 1.00 79.44 C ATOM 1370 CG LYS A 143 26.677 16.257 -3.598 1.00 82.76 C ATOM 1371 CD LYS A 143 28.144 15.972 -3.387 1.00 89.09 C ATOM 1372 CE LYS A 143 28.388 15.435 -1.993 1.00 94.26 C ATOM 1373 NZ LYS A 143 28.029 16.425 -0.939 1.00 98.19 N ATOM 1374 HZ1 LYS A 143 28.604 17.283 -1.061 1.00 0.00 H ATOM 1375 HZ2 LYS A 143 27.021 16.667 -1.021 1.00 0.00 H ATOM 1376 HZ3 LYS A 143 28.213 16.014 -0.002 1.00 0.00 H ATOM 1377 H LYS A 143 23.989 16.059 -4.463 1.00 0.00 H ATOM 1378 N CYS A 144 24.107 17.515 -7.248 1.00 74.64 N ATOM 1379 CA CYS A 144 23.799 17.888 -8.618 1.00 74.32 C ATOM 1380 C CYS A 144 23.136 19.253 -8.645 1.00 75.80 C ATOM 1381 O CYS A 144 23.189 19.956 -9.653 1.00 77.54 O ATOM 1382 CB CYS A 144 22.881 16.859 -9.274 1.00 73.46 C ATOM 1383 SG CYS A 144 23.102 15.177 -8.702 1.00104.36 S ATOM 1384 H CYS A 144 23.552 16.766 -6.786 1.00 0.00 H ATOM 1385 N GLU A 145 22.518 19.613 -7.522 1.00 68.40 N ATOM 1386 CA GLU A 145 21.681 20.805 -7.430 1.00 68.76 C ATOM 1387 C GLU A 145 20.605 20.756 -8.510 1.00 69.02 C ATOM 1388 O GLU A 145 20.353 21.737 -9.209 1.00 75.30 O ATOM 1389 CB GLU A 145 22.526 22.077 -7.530 1.00 74.04 C ATOM 1390 CG GLU A 145 23.227 22.430 -6.223 1.00 83.21 C ATOM 1391 CD GLU A 145 24.534 23.171 -6.428 1.00 93.75 C ATOM 1392 OE1 GLU A 145 24.612 24.360 -6.052 1.00 99.53 O ATOM 1393 OE2 GLU A 145 25.488 22.560 -6.954 1.00 95.41 O ATOM 1394 H GLU A 145 22.637 19.020 -6.676 1.00 0.00 H ATOM 1395 N MET A 146 19.986 19.585 -8.632 1.00 66.58 N ATOM 1396 CA MET A 146 18.870 19.363 -9.543 1.00 57.23 C ATOM 1397 C MET A 146 17.558 19.391 -8.771 1.00 53.62 C ATOM 1398 O MET A 146 17.539 19.122 -7.570 1.00 54.10 O ATOM 1399 CB MET A 146 19.018 18.021 -10.265 1.00 55.33 C ATOM 1400 CG MET A 146 20.178 17.943 -11.235 1.00 55.38 C ATOM 1401 SD MET A 146 19.902 18.867 -12.753 1.00104.95 S ATOM 1402 CE MET A 146 21.556 18.871 -13.439 1.00 77.69 C ATOM 1403 H MET A 146 20.314 18.789 -8.049 1.00 0.00 H ATOM 1404 N PRO A 147 16.452 19.716 -9.455 1.00 54.95 N ATOM 1405 CA PRO A 147 15.141 19.653 -8.804 1.00 55.71 C ATOM 1406 C PRO A 147 14.750 18.221 -8.449 1.00 49.51 C ATOM 1407 O PRO A 147 15.444 17.275 -8.826 1.00 46.28 O ATOM 1408 CB PRO A 147 14.191 20.231 -9.860 1.00 57.97 C ATOM 1409 CG PRO A 147 15.067 21.008 -10.788 1.00 56.84 C ATOM 1410 CD PRO A 147 16.366 20.271 -10.816 1.00 56.38 C ATOM 1411 N TYR A 148 13.644 18.070 -7.731 1.00 45.45 N ATOM 1412 CA TYR A 148 13.173 16.749 -7.343 1.00 44.07 C ATOM 1413 C TYR A 148 12.624 15.985 -8.539 1.00 48.81 C ATOM 1414 O TYR A 148 11.780 16.487 -9.279 1.00 49.93 O ATOM 1415 CB TYR A 148 12.102 16.857 -6.254 1.00 41.45 C ATOM 1416 CG TYR A 148 11.588 15.521 -5.754 1.00 44.75 C ATOM 1417 CD1 TYR A 148 12.444 14.440 -5.590 1.00 45.31 C ATOM 1418 CD2 TYR A 148 10.247 15.346 -5.437 1.00 50.94 C ATOM 1419 CE1 TYR A 148 11.979 13.221 -5.131 1.00 46.86 C ATOM 1420 CE2 TYR A 148 9.773 14.130 -4.977 1.00 55.69 C ATOM 1421 CZ TYR A 148 10.643 13.072 -4.825 1.00 53.10 C ATOM 1422 OH TYR A 148 10.174 11.861 -4.369 1.00 58.18 O ATOM 1423 HH TYR A 148 10.923 11.216 -4.319 1.00 0.00 H ATOM 1424 H TYR A 148 13.105 18.910 -7.441 1.00 0.00 H ATOM 1425 N ASN A 149 13.132 14.773 -8.728 1.00 51.95 N ATOM 1426 CA ASN A 149 12.540 13.828 -9.659 1.00 47.21 C ATOM 1427 C ASN A 149 11.928 12.701 -8.843 1.00 53.73 C ATOM 1428 O ASN A 149 12.651 11.901 -8.250 1.00 63.02 O ATOM 1429 CB ASN A 149 13.581 13.292 -10.644 1.00 44.46 C ATOM 1430 CG ASN A 149 12.973 12.413 -11.723 1.00 40.09 C ATOM 1431 OD1 ASN A 149 11.817 11.998 -11.632 1.00 36.65 O ATOM 1432 ND2 ASN A 149 13.756 12.123 -12.755 1.00 40.74 N ATOM 1433 HD22 ASN A 149 14.727 12.495 -12.792 1.00 0.00 H ATOM 1434 HD21 ASN A 149 13.399 11.524 -13.527 1.00 0.00 H ATOM 1435 H ASN A 149 13.979 14.492 -8.194 1.00 0.00 H ATOM 1436 N PRO A 150 10.590 12.638 -8.804 1.00 48.15 N ATOM 1437 CA PRO A 150 9.881 11.683 -7.945 1.00 50.17 C ATOM 1438 C PRO A 150 10.167 10.225 -8.296 1.00 47.41 C ATOM 1439 O PRO A 150 9.886 9.341 -7.488 1.00 52.03 O ATOM 1440 CB PRO A 150 8.406 12.025 -8.183 1.00 50.60 C ATOM 1441 CG PRO A 150 8.378 12.696 -9.510 1.00 49.14 C ATOM 1442 CD PRO A 150 9.664 13.454 -9.607 1.00 47.49 C ATOM 1443 N ASP A 151 10.723 9.980 -9.477 1.00 45.48 N ATOM 1444 CA ASP A 151 11.090 8.627 -9.873 1.00 42.21 C ATOM 1445 C ASP A 151 12.397 8.204 -9.209 1.00 45.19 C ATOM 1446 O ASP A 151 12.721 7.018 -9.151 1.00 46.53 O ATOM 1447 CB ASP A 151 11.217 8.521 -11.395 1.00 39.12 C ATOM 1448 CG ASP A 151 10.000 9.060 -12.123 1.00 36.04 C ATOM 1449 OD1 ASP A 151 8.897 9.047 -11.538 1.00 36.10 O ATOM 1450 OD2 ASP A 151 10.149 9.491 -13.285 1.00 33.31 O ATOM 1451 H ASP A 151 10.900 10.769 -10.131 1.00 0.00 H ATOM 1452 N ASP A 152 13.142 9.183 -8.706 1.00 46.42 N ATOM 1453 CA ASP A 152 14.441 8.923 -8.095 1.00 50.90 C ATOM 1454 C ASP A 152 14.343 8.739 -6.584 1.00 51.10 C ATOM 1455 O ASP A 152 13.681 9.514 -5.894 1.00 45.17 O ATOM 1456 CB ASP A 152 15.415 10.060 -8.413 1.00 55.26 C ATOM 1457 CG ASP A 152 15.870 10.050 -9.858 1.00 61.64 C ATOM 1458 OD1 ASP A 152 15.248 9.337 -10.673 1.00 64.80 O ATOM 1459 OD2 ASP A 152 16.848 10.757 -10.179 1.00 62.87 O ATOM 1460 H ASP A 152 12.790 10.160 -8.749 1.00 0.00 H ATOM 1461 N LEU A 153 15.007 7.703 -6.081 1.00 55.18 N ATOM 1462 CA LEU A 153 15.111 7.482 -4.645 1.00 56.86 C ATOM 1463 C LEU A 153 16.138 8.432 -4.046 1.00 64.69 C ATOM 1464 O LEU A 153 17.234 8.583 -4.584 1.00 69.78 O ATOM 1465 CB LEU A 153 15.498 6.033 -4.345 1.00 56.17 C ATOM 1466 CG LEU A 153 15.890 5.747 -2.893 1.00 59.76 C ATOM 1467 CD1 LEU A 153 14.679 5.315 -2.079 1.00 61.17 C ATOM 1468 CD2 LEU A 153 17.000 4.707 -2.819 1.00 59.37 C ATOM 1469 H LEU A 153 15.465 7.032 -6.730 1.00 0.00 H ATOM 1470 N MET A 154 15.785 9.077 -2.938 1.00 62.32 N ATOM 1471 CA MET A 154 16.703 9.999 -2.277 1.00 65.34 C ATOM 1472 C MET A 154 16.683 9.825 -0.765 1.00 75.11 C ATOM 1473 O MET A 154 15.690 9.377 -0.195 1.00 72.84 O ATOM 1474 CB MET A 154 16.366 11.446 -2.637 1.00 59.53 C ATOM 1475 CG MET A 154 16.618 11.794 -4.089 1.00 54.06 C ATOM 1476 SD MET A 154 16.420 13.550 -4.431 1.00 48.90 S ATOM 1477 CE MET A 154 15.030 13.939 -3.373 1.00 58.08 C ATOM 1478 H MET A 154 14.839 8.922 -2.536 1.00 0.00 H ATOM 1479 N VAL A 155 17.785 10.183 -0.115 1.00 78.14 N ATOM 1480 CA VAL A 155 17.862 10.062 1.336 1.00 78.26 C ATOM 1481 C VAL A 155 18.247 11.409 1.941 1.00 86.58 C ATOM 1482 O VAL A 155 18.841 12.250 1.271 1.00 91.88 O ATOM 1483 CB VAL A 155 18.868 8.968 1.760 1.00 73.50 C ATOM 1484 CG1 VAL A 155 20.296 9.414 1.485 1.00 72.16 C ATOM 1485 CG2 VAL A 155 18.679 8.588 3.229 1.00 76.53 C ATOM 1486 H VAL A 155 18.600 10.553 -0.646 1.00 0.00 H ATOM 1487 N GLN A 156 17.896 11.623 3.203 1.00 88.12 N ATOM 1488 CA GLN A 156 18.103 12.923 3.820 1.00 91.06 C ATOM 1489 C GLN A 156 19.276 12.934 4.799 1.00 98.00 C ATOM 1490 O GLN A 156 19.336 12.123 5.723 1.00 97.89 O ATOM 1491 CB GLN A 156 16.821 13.365 4.532 1.00 88.08 C ATOM 1492 CG GLN A 156 16.868 14.767 5.119 1.00 90.29 C ATOM 1493 CD GLN A 156 15.483 15.335 5.369 1.00 90.68 C ATOM 1494 OE1 GLN A 156 14.546 14.599 5.679 1.00 85.09 O ATOM 1495 NE2 GLN A 156 15.347 16.651 5.235 1.00 95.51 N ATOM 1496 HE22 GLN A 156 16.167 17.234 4.971 1.00 0.00 H ATOM 1497 HE21 GLN A 156 14.421 17.097 5.394 1.00 0.00 H ATOM 1498 H GLN A 156 17.469 10.853 3.756 1.00 0.00 H ATOM 1499 N CYS A 157 20.212 13.851 4.574 1.00101.82 N ATOM 1500 CA CYS A 157 21.217 14.208 5.574 1.00108.03 C ATOM 1501 C CYS A 157 20.695 15.350 6.457 1.00112.28 C ATOM 1502 O CYS A 157 20.672 16.502 6.027 1.00112.06 O ATOM 1503 CB CYS A 157 22.525 14.620 4.898 1.00108.37 C ATOM 1504 SG CYS A 157 23.657 15.537 5.950 1.00 78.75 S ATOM 1505 H CYS A 157 20.230 14.332 3.652 1.00 0.00 H ATOM 1506 N GLU A 158 20.294 15.033 7.691 1.00109.26 N ATOM 1507 CA GLU A 158 19.636 16.009 8.573 1.00116.49 C ATOM 1508 C GLU A 158 20.660 17.052 8.978 1.00121.05 C ATOM 1509 O GLU A 158 20.304 18.194 9.352 1.00130.27 O ATOM 1510 CB GLU A 158 19.001 15.312 9.793 1.00118.48 C ATOM 1511 CG GLU A 158 18.661 16.159 11.051 1.00173.06 C ATOM 1512 CD GLU A 158 18.035 17.525 10.736 1.00173.79 C ATOM 1513 OE1 GLU A 158 17.154 17.602 9.854 1.00170.81 O ATOM 1514 OE2 GLU A 158 18.383 18.521 11.414 1.00177.65 O ATOM 1515 H GLU A 158 20.452 14.066 8.039 1.00 0.00 H ATOM 1516 N GLY A 159 21.931 16.665 8.860 1.00123.88 N ATOM 1517 CA GLY A 159 23.008 17.624 8.960 1.00115.16 C ATOM 1518 C GLY A 159 22.681 18.823 8.099 1.00 97.36 C ATOM 1519 O GLY A 159 22.425 19.907 8.622 1.00102.42 O ATOM 1520 H GLY A 159 22.150 15.662 8.694 1.00 0.00 H ATOM 1521 N CYS A 160 22.620 18.604 6.787 1.00 88.14 N ATOM 1522 CA CYS A 160 22.287 19.662 5.838 1.00 92.21 C ATOM 1523 C CYS A 160 20.790 19.817 5.569 1.00 87.89 C ATOM 1524 O CYS A 160 20.366 20.836 5.021 1.00 90.87 O ATOM 1525 CB CYS A 160 22.999 19.418 4.506 1.00 78.47 C ATOM 1526 SG CYS A 160 24.768 19.749 4.535 1.00151.57 S ATOM 1527 H CYS A 160 22.816 17.648 6.427 1.00 0.00 H ATOM 1528 N SER A 161 20.007 18.800 5.927 1.00 93.93 N ATOM 1529 CA SER A 161 18.574 18.717 5.601 1.00 85.58 C ATOM 1530 C SER A 161 18.317 18.638 4.093 1.00 79.38 C ATOM 1531 O SER A 161 17.169 18.565 3.655 1.00 74.08 O ATOM 1532 CB SER A 161 17.802 19.896 6.201 1.00 87.59 C ATOM 1533 OG SER A 161 17.612 19.723 7.594 1.00 93.18 O ATOM 1534 HG SER A 161 17.099 18.892 7.755 1.00 0.00 H ATOM 1535 H SER A 161 20.433 18.020 6.468 1.00 0.00 H ATOM 1536 N ASP A 162 19.387 18.640 3.305 1.00 73.37 N ATOM 1537 CA ASP A 162 19.279 18.475 1.863 1.00 69.84 C ATOM 1538 C ASP A 162 19.071 17.001 1.534 1.00 82.15 C ATOM 1539 O ASP A 162 19.454 16.126 2.310 1.00 82.95 O ATOM 1540 CB ASP A 162 20.528 19.012 1.160 1.00 70.84 C ATOM 1541 CG ASP A 162 20.316 19.220 -0.327 1.00 67.74 C ATOM 1542 OD1 ASP A 162 19.147 19.336 -0.750 1.00 65.21 O ATOM 1543 OD2 ASP A 162 21.317 19.269 -1.073 1.00 68.17 O ATOM 1544 H ASP A 162 20.328 18.763 3.731 1.00 0.00 H ATOM 1545 N TRP A 163 18.457 16.728 0.390 1.00 79.02 N ATOM 1546 CA TRP A 163 18.232 15.353 -0.035 1.00 72.72 C ATOM 1547 C TRP A 163 19.233 14.963 -1.109 1.00 70.42 C ATOM 1548 O TRP A 163 19.552 15.758 -1.989 1.00 69.07 O ATOM 1549 CB TRP A 163 16.806 15.169 -0.548 1.00 69.13 C ATOM 1550 CG TRP A 163 15.763 15.425 0.490 1.00 73.78 C ATOM 1551 CD1 TRP A 163 15.429 16.629 1.032 1.00 78.63 C ATOM 1552 CD2 TRP A 163 14.916 14.448 1.109 1.00 74.32 C ATOM 1553 NE1 TRP A 163 14.423 16.466 1.956 1.00 81.21 N ATOM 1554 CE2 TRP A 163 14.092 15.150 2.023 1.00 78.44 C ATOM 1555 CE3 TRP A 163 14.774 13.069 0.987 1.00 72.53 C ATOM 1556 CZ2 TRP A 163 13.139 14.491 2.804 1.00 80.19 C ATOM 1557 CZ3 TRP A 163 13.827 12.425 1.764 1.00 76.00 C ATOM 1558 CH2 TRP A 163 13.021 13.138 2.662 1.00 79.41 C ATOM 1559 HE1 TRP A 163 13.986 17.228 2.514 1.00 0.00 H ATOM 1560 H TRP A 163 18.131 17.509 -0.214 1.00 0.00 H ATOM 1561 N PHE A 164 19.720 13.733 -1.032 1.00 66.61 N ATOM 1562 CA PHE A 164 20.764 13.274 -1.932 1.00 69.29 C ATOM 1563 C PHE A 164 20.356 12.011 -2.676 1.00 68.32 C ATOM 1564 O PHE A 164 19.767 11.093 -2.094 1.00 58.29 O ATOM 1565 CB PHE A 164 22.062 13.017 -1.159 1.00 64.24 C ATOM 1566 CG PHE A 164 22.585 14.220 -0.425 1.00 71.78 C ATOM 1567 CD1 PHE A 164 22.051 14.590 0.800 1.00 73.92 C ATOM 1568 CD2 PHE A 164 23.619 14.974 -0.953 1.00 71.40 C ATOM 1569 CE1 PHE A 164 22.532 15.693 1.477 1.00 72.18 C ATOM 1570 CE2 PHE A 164 24.106 16.077 -0.279 1.00 71.96 C ATOM 1571 CZ PHE A 164 23.561 16.437 0.937 1.00 73.62 C ATOM 1572 H PHE A 164 19.347 13.082 -0.312 1.00 0.00 H ATOM 1573 N HIS A 165 20.656 11.985 -3.971 1.00 72.28 N ATOM 1574 CA HIS A 165 20.630 10.749 -4.734 1.00 66.17 C ATOM 1575 C HIS A 165 21.823 9.924 -4.277 1.00 68.01 C ATOM 1576 O HIS A 165 22.944 10.429 -4.257 1.00 69.03 O ATOM 1577 CB HIS A 165 20.714 11.007 -6.241 1.00 64.73 C ATOM 1578 CG HIS A 165 19.728 12.013 -6.749 1.00 60.51 C ATOM 1579 ND1 HIS A 165 20.104 13.268 -7.179 1.00 64.38 N ATOM 1580 CD2 HIS A 165 18.388 11.943 -6.922 1.00 55.94 C ATOM 1581 CE1 HIS A 165 19.034 13.932 -7.580 1.00 64.08 C ATOM 1582 NE2 HIS A 165 17.980 13.150 -7.433 1.00 59.14 N ATOM 1583 H HIS A 165 20.916 12.871 -4.449 1.00 0.00 H ATOM 1584 N PRO A 166 21.588 8.658 -3.899 1.00 65.59 N ATOM 1585 CA PRO A 166 22.657 7.770 -3.429 1.00 71.94 C ATOM 1586 C PRO A 166 23.804 7.658 -4.430 1.00 77.68 C ATOM 1587 O PRO A 166 24.972 7.642 -4.035 1.00 74.95 O ATOM 1588 CB PRO A 166 21.946 6.427 -3.260 1.00 58.01 C ATOM 1589 CG PRO A 166 20.529 6.792 -3.003 1.00 65.72 C ATOM 1590 CD PRO A 166 20.269 8.006 -3.842 1.00 67.51 C ATOM 1591 N ALA A 167 23.463 7.600 -5.713 1.00 83.03 N ATOM 1592 CA ALA A 167 24.454 7.465 -6.774 1.00 86.36 C ATOM 1593 C ALA A 167 25.426 8.638 -6.787 1.00 82.79 C ATOM 1594 O ALA A 167 26.587 8.492 -7.168 1.00 80.86 O ATOM 1595 CB ALA A 167 23.764 7.339 -8.124 1.00 87.33 C ATOM 1596 H ALA A 167 22.456 7.653 -5.969 1.00 0.00 H ATOM 1597 N CYS A 168 24.947 9.801 -6.362 1.00 85.18 N ATOM 1598 CA CYS A 168 25.762 11.006 -6.369 1.00 76.94 C ATOM 1599 C CYS A 168 26.561 11.143 -5.079 1.00 67.73 C ATOM 1600 O CYS A 168 27.343 12.080 -4.923 1.00 67.84 O ATOM 1601 CB CYS A 168 24.878 12.235 -6.581 1.00 73.66 C ATOM 1602 SG CYS A 168 23.670 12.016 -7.903 1.00 97.10 S ATOM 1603 H CYS A 168 23.967 9.852 -6.016 1.00 0.00 H ATOM 1604 N ILE A 169 26.366 10.205 -4.157 1.00 67.63 N ATOM 1605 CA ILE A 169 27.040 10.264 -2.863 1.00 76.41 C ATOM 1606 C ILE A 169 27.646 8.923 -2.429 1.00 87.84 C ATOM 1607 O ILE A 169 27.321 8.403 -1.358 1.00 95.92 O ATOM 1608 CB ILE A 169 26.075 10.763 -1.761 1.00 69.31 C ATOM 1609 CG1 ILE A 169 24.804 9.915 -1.744 1.00 69.94 C ATOM 1610 CG2 ILE A 169 25.721 12.227 -1.978 1.00 69.11 C ATOM 1611 CD1 ILE A 169 24.032 9.983 -0.464 1.00 70.19 C ATOM 1612 H ILE A 169 25.722 9.415 -4.361 1.00 0.00 H ATOM 1613 N GLU A 170 28.521 8.371 -3.269 1.00 86.34 N ATOM 1614 CA GLU A 170 29.326 7.196 -2.921 1.00 88.79 C ATOM 1615 C GLU A 170 28.530 5.899 -2.750 1.00 85.74 C ATOM 1616 O GLU A 170 29.100 4.878 -2.371 1.00 86.73 O ATOM 1617 CB GLU A 170 30.086 7.436 -1.608 1.00 98.20 C ATOM 1618 CG GLU A 170 31.095 8.555 -1.594 1.00105.91 C ATOM 1619 CD GLU A 170 31.689 8.763 -0.210 1.00113.56 C ATOM 1620 OE1 GLU A 170 32.265 7.802 0.340 1.00116.02 O ATOM 1621 OE2 GLU A 170 31.555 9.878 0.338 1.00117.17 O ATOM 1622 H GLU A 170 28.638 8.792 -4.213 1.00 0.00 H ATOM 1623 N MET A 171 27.228 5.916 -3.012 1.00 84.04 N ATOM 1624 CA MET A 171 26.381 4.884 -2.419 1.00 78.87 C ATOM 1625 C MET A 171 25.476 4.097 -3.368 1.00 79.06 C ATOM 1626 O MET A 171 25.011 4.607 -4.387 1.00 78.74 O ATOM 1627 CB MET A 171 25.518 5.532 -1.336 1.00 71.44 C ATOM 1628 CG MET A 171 24.862 4.561 -0.377 1.00 67.75 C ATOM 1629 SD MET A 171 25.051 5.091 1.328 1.00 71.84 S ATOM 1630 CE MET A 171 23.890 6.448 1.365 1.00 80.00 C ATOM 1631 H MET A 171 26.820 6.649 -3.627 1.00 0.00 H ATOM 1632 N SER A 172 25.239 2.839 -3.006 1.00 77.10 N ATOM 1633 CA SER A 172 24.221 2.015 -3.644 1.00 75.70 C ATOM 1634 C SER A 172 22.843 2.390 -3.110 1.00 73.34 C ATOM 1635 O SER A 172 22.727 2.972 -2.032 1.00 79.45 O ATOM 1636 CB SER A 172 24.495 0.533 -3.397 1.00 75.27 C ATOM 1637 OG SER A 172 24.101 0.164 -2.086 1.00 77.60 O ATOM 1638 HG SER A 172 24.286 -0.798 -1.946 1.00 0.00 H ATOM 1639 H SER A 172 25.804 2.427 -2.236 1.00 0.00 H ATOM 1640 N ALA A 173 21.800 2.054 -3.860 1.00 70.50 N ATOM 1641 CA ALA A 173 20.435 2.355 -3.441 1.00 61.58 C ATOM 1642 C ALA A 173 20.050 1.545 -2.208 1.00 58.77 C ATOM 1643 O ALA A 173 19.526 2.085 -1.222 1.00 62.26 O ATOM 1644 CB ALA A 173 19.463 2.084 -4.574 1.00 57.98 C ATOM 1645 H ALA A 173 21.959 1.566 -4.765 1.00 0.00 H ATOM 1646 N GLU A 174 20.318 0.245 -2.274 1.00 58.95 N ATOM 1647 CA GLU A 174 19.999 -0.661 -1.182 1.00 61.28 C ATOM 1648 C GLU A 174 20.660 -0.217 0.115 1.00 64.38 C ATOM 1649 O GLU A 174 20.093 -0.391 1.192 1.00 66.41 O ATOM 1650 CB GLU A 174 20.426 -2.092 -1.523 1.00 66.00 C ATOM 1651 CG GLU A 174 19.427 -2.861 -2.382 1.00 72.26 C ATOM 1652 CD GLU A 174 18.138 -3.193 -1.646 1.00 79.38 C ATOM 1653 OE1 GLU A 174 18.096 -3.047 -0.405 1.00 83.81 O ATOM 1654 OE2 GLU A 174 17.164 -3.602 -2.311 1.00 79.67 O ATOM 1655 H GLU A 174 20.769 -0.135 -3.131 1.00 0.00 H ATOM 1656 N GLU A 175 21.853 0.361 0.018 1.00 65.12 N ATOM 1657 CA GLU A 175 22.528 0.801 1.227 1.00 68.47 C ATOM 1658 C GLU A 175 21.822 2.013 1.799 1.00 75.82 C ATOM 1659 O GLU A 175 21.629 2.113 3.013 1.00 71.30 O ATOM 1660 CB GLU A 175 24.009 1.111 0.980 1.00 69.76 C ATOM 1661 CG GLU A 175 24.686 1.718 2.203 1.00 73.53 C ATOM 1662 CD GLU A 175 26.200 1.705 2.132 1.00 75.86 C ATOM 1663 OE1 GLU A 175 26.753 1.443 1.045 1.00 74.30 O ATOM 1664 OE2 GLU A 175 26.837 1.934 3.183 1.00 79.60 O ATOM 1665 H GLU A 175 22.298 0.497 -0.912 1.00 0.00 H ATOM 1666 N ALA A 176 21.424 2.921 0.914 1.00 75.05 N ATOM 1667 CA ALA A 176 20.734 4.134 1.319 1.00 65.71 C ATOM 1668 C ALA A 176 19.436 3.808 2.040 1.00 66.14 C ATOM 1669 O ALA A 176 19.118 4.422 3.059 1.00 68.18 O ATOM 1670 CB ALA A 176 20.463 5.016 0.117 1.00 62.64 C ATOM 1671 H ALA A 176 21.611 2.759 -0.096 1.00 0.00 H ATOM 1672 N LYS A 177 18.696 2.832 1.521 1.00 64.59 N ATOM 1673 CA LYS A 177 17.429 2.453 2.144 1.00 65.34 C ATOM 1674 C LYS A 177 17.608 1.948 3.575 1.00 69.25 C ATOM 1675 O LYS A 177 16.686 2.035 4.383 1.00 76.53 O ATOM 1676 CB LYS A 177 16.705 1.391 1.313 1.00 63.52 C ATOM 1677 CG LYS A 177 16.439 1.797 -0.125 1.00 60.75 C ATOM 1678 CD LYS A 177 15.313 0.972 -0.727 1.00 64.75 C ATOM 1679 CE LYS A 177 15.832 -0.003 -1.771 1.00 71.09 C ATOM 1680 NZ LYS A 177 16.165 0.673 -3.055 1.00 72.83 N ATOM 1681 HZ1 LYS A 177 15.312 1.131 -3.435 1.00 0.00 H ATOM 1682 HZ2 LYS A 177 16.900 1.390 -2.888 1.00 0.00 H ATOM 1683 HZ3 LYS A 177 16.515 -0.031 -3.736 1.00 0.00 H ATOM 1684 H LYS A 177 19.021 2.336 0.667 1.00 0.00 H ATOM 1685 N ARG A 178 18.790 1.437 3.862 1.00 71.06 N ATOM 1686 CA ARG A 178 19.136 0.942 5.181 1.00 75.16 C ATOM 1687 C ARG A 178 19.141 2.004 6.254 1.00 78.93 C ATOM 1688 O ARG A 178 18.650 1.815 7.346 1.00 80.66 O ATOM 1689 CB ARG A 178 20.555 0.416 5.107 1.00 76.45 C ATOM 1690 CG ARG A 178 20.820 -0.851 5.893 1.00102.45 C ATOM 1691 CD ARG A 178 20.113 -2.024 5.268 1.00 78.03 C ATOM 1692 NE ARG A 178 20.854 -2.584 4.154 1.00 75.93 N ATOM 1693 CZ ARG A 178 20.384 -3.568 3.407 1.00 74.29 C ATOM 1694 NH1 ARG A 178 21.088 -4.051 2.410 1.00 72.65 N ATOM 1695 NH2 ARG A 178 19.197 -4.065 3.672 1.00 75.60 N ATOM 1696 HE ARG A 178 21.793 -2.196 3.934 1.00 0.00 H ATOM 1697 HH12 ARG A 178 20.706 -4.825 1.831 1.00 0.00 H ATOM 1698 HH11 ARG A 178 22.028 -3.659 2.199 1.00 0.00 H ATOM 1699 HH22 ARG A 178 18.816 -4.839 3.092 1.00 0.00 H ATOM 1700 HH21 ARG A 178 18.638 -3.684 4.462 1.00 0.00 H ATOM 1701 H ARG A 178 19.506 1.387 3.109 1.00 0.00 H ATOM 1702 N LEU A 179 19.717 3.138 5.917 1.00 83.56 N ATOM 1703 CA LEU A 179 20.075 4.179 6.881 1.00 82.40 C ATOM 1704 C LEU A 179 18.898 4.805 7.624 1.00 82.29 C ATOM 1705 O LEU A 179 17.810 4.972 7.072 1.00 77.89 O ATOM 1706 CB LEU A 179 20.848 5.300 6.187 1.00 80.92 C ATOM 1707 CG LEU A 179 21.953 4.955 5.193 1.00 80.85 C ATOM 1708 CD1 LEU A 179 22.445 6.239 4.558 1.00 80.21 C ATOM 1709 CD2 LEU A 179 23.096 4.214 5.870 1.00 80.43 C ATOM 1710 H LEU A 179 19.929 3.303 4.912 1.00 0.00 H ATOM 1711 N ASP A 180 19.145 5.143 8.886 1.00 98.61 N ATOM 1712 CA ASP A 180 18.281 6.018 9.671 1.00103.29 C ATOM 1713 C ASP A 180 19.124 7.200 10.134 1.00103.47 C ATOM 1714 O ASP A 180 18.635 8.128 10.779 1.00104.45 O ATOM 1715 CB ASP A 180 17.691 5.290 10.882 1.00109.18 C ATOM 1716 CG ASP A 180 16.714 4.197 10.497 1.00109.16 C ATOM 1717 OD1 ASP A 180 16.613 3.870 9.297 1.00103.23 O ATOM 1718 OD2 ASP A 180 16.046 3.659 11.404 1.00115.01 O ATOM 1719 H ASP A 180 20.001 4.763 9.338 1.00 0.00 H ATOM 1720 N HIS A 181 20.402 7.146 9.777 1.00104.86 N ATOM 1721 CA HIS A 181 21.428 7.991 10.370 1.00106.49 C ATOM 1722 C HIS A 181 22.391 8.515 9.315 1.00102.26 C ATOM 1723 O HIS A 181 23.502 8.004 9.175 1.00105.20 O ATOM 1724 CB HIS A 181 22.198 7.198 11.429 1.00115.37 C ATOM 1725 CG HIS A 181 22.552 5.806 11.000 1.00119.89 C ATOM 1726 ND1 HIS A 181 21.612 4.806 10.854 1.00119.37 N ATOM 1727 CD2 HIS A 181 23.742 5.248 10.672 1.00121.44 C ATOM 1728 CE1 HIS A 181 22.207 3.696 10.461 1.00118.01 C ATOM 1729 NE2 HIS A 181 23.501 3.936 10.343 1.00119.60 N ATOM 1730 H HIS A 181 20.683 6.469 9.040 1.00 0.00 H ATOM 1731 N PHE A 182 21.978 9.535 8.572 1.00103.06 N ATOM 1732 CA PHE A 182 22.793 9.989 7.455 1.00 97.81 C ATOM 1733 C PHE A 182 23.379 11.386 7.627 1.00 96.76 C ATOM 1734 O PHE A 182 22.717 12.308 8.105 1.00 95.83 O ATOM 1735 CB PHE A 182 21.987 9.941 6.157 1.00 91.64 C ATOM 1736 CG PHE A 182 22.785 10.327 4.950 1.00 91.45 C ATOM 1737 CD1 PHE A 182 23.977 9.686 4.664 1.00 93.02 C ATOM 1738 CD2 PHE A 182 22.353 11.332 4.108 1.00 91.83 C ATOM 1739 CE1 PHE A 182 24.722 10.042 3.560 1.00 95.39 C ATOM 1740 CE2 PHE A 182 23.093 11.695 3.003 1.00 92.35 C ATOM 1741 CZ PHE A 182 24.280 11.050 2.730 1.00 94.62 C ATOM 1742 H PHE A 182 21.077 10.007 8.787 1.00 0.00 H ATOM 1743 N PHE A 183 24.637 11.520 7.224 1.00 97.64 N ATOM 1744 CA PHE A 183 25.314 12.806 7.177 1.00101.76 C ATOM 1745 C PHE A 183 26.141 12.903 5.901 1.00103.20 C ATOM 1746 O PHE A 183 26.960 12.028 5.625 1.00101.31 O ATOM 1747 CB PHE A 183 26.201 13.003 8.408 1.00106.30 C ATOM 1748 CG PHE A 183 25.437 13.080 9.697 1.00105.48 C ATOM 1749 CD1 PHE A 183 24.923 14.288 10.139 1.00101.97 C ATOM 1750 CD2 PHE A 183 25.227 11.947 10.464 1.00108.36 C ATOM 1751 CE1 PHE A 183 24.216 14.364 11.322 1.00103.00 C ATOM 1752 CE2 PHE A 183 24.520 12.017 11.649 1.00111.50 C ATOM 1753 CZ PHE A 183 24.014 13.227 12.079 1.00103.36 C ATOM 1754 H PHE A 183 25.160 10.670 6.930 1.00 0.00 H ATOM 1755 N CYS A 184 25.929 13.960 5.120 1.00103.40 N ATOM 1756 CA CYS A 184 26.720 14.167 3.908 1.00110.65 C ATOM 1757 C CYS A 184 28.180 14.443 4.276 1.00124.06 C ATOM 1758 O CYS A 184 28.528 14.487 5.455 1.00128.92 O ATOM 1759 CB CYS A 184 26.155 15.316 3.071 1.00109.36 C ATOM 1760 SG CYS A 184 26.547 16.967 3.688 1.00 86.93 S ATOM 1761 H CYS A 184 25.191 14.647 5.375 1.00 0.00 H ATOM 1762 N GLU A 185 29.029 14.636 3.270 1.00124.83 N ATOM 1763 CA GLU A 185 30.460 14.821 3.510 1.00132.81 C ATOM 1764 C GLU A 185 30.831 16.204 4.055 1.00137.10 C ATOM 1765 O GLU A 185 31.988 16.438 4.430 1.00144.78 O ATOM 1766 CB GLU A 185 31.258 14.529 2.230 1.00134.52 C ATOM 1767 CG GLU A 185 30.494 14.562 0.914 1.00132.88 C ATOM 1768 CD GLU A 185 31.266 13.834 -0.177 1.00132.56 C ATOM 1769 OE1 GLU A 185 32.434 13.478 0.088 1.00135.90 O ATOM 1770 OE2 GLU A 185 30.719 13.591 -1.275 1.00128.14 O ATOM 1771 H GLU A 185 28.668 14.656 2.295 1.00 0.00 H ATOM 1772 N ASN A 186 29.847 17.099 4.116 1.00134.36 N ATOM 1773 CA ASN A 186 30.049 18.446 4.635 1.00134.24 C ATOM 1774 C ASN A 186 29.515 18.507 6.079 1.00137.48 C ATOM 1775 O ASN A 186 29.218 19.566 6.632 1.00143.49 O ATOM 1776 CB ASN A 186 29.387 19.463 3.680 1.00129.39 C ATOM 1777 CG ASN A 186 29.110 20.818 4.323 1.00133.23 C ATOM 1778 OD1 ASN A 186 30.022 21.618 4.533 1.00141.35 O ATOM 1779 ND2 ASN A 186 27.842 21.087 4.617 1.00128.83 N ATOM 1780 HD22 ASN A 186 27.102 20.382 4.423 1.00 0.00 H ATOM 1781 HD21 ASN A 186 27.589 22.002 5.041 1.00 0.00 H ATOM 1782 H ASN A 186 28.901 16.827 3.781 1.00 0.00 H ATOM 1783 N CYS A 187 29.420 17.343 6.707 1.00130.45 N ATOM 1784 CA CYS A 187 28.998 17.286 8.101 1.00129.81 C ATOM 1785 C CYS A 187 29.874 16.331 8.900 1.00129.29 C ATOM 1786 O CYS A 187 29.470 15.208 9.199 1.00124.54 O ATOM 1787 CB CYS A 187 27.529 16.870 8.205 1.00126.75 C ATOM 1788 SG CYS A 187 26.354 18.068 7.527 1.00132.58 S ATOM 1789 H CYS A 187 29.648 16.464 6.201 1.00 0.00 H TER 1790 CYS A 187 HETATM 1791 ZN ZN A 1 22.023 14.088 -6.855 1.00 63.64 ZN HETATM 1792 ZN ZN A 2 24.236 17.768 5.740 1.00 98.64 ZN HETATM 1793 N ALA A 3 -14.066 3.425 -34.101 1.00 0.24 N HETATM 1794 CA ALA A 3 -12.712 2.889 -34.105 1.00 0.06 C HETATM 1795 C ALA A 3 -11.804 4.032 -33.776 1.00 0.23 C HETATM 1796 O ALA A 3 -12.036 5.127 -34.246 1.00 -0.39 O HETATM 1797 N ALA A 3 -10.765 3.797 -32.985 1.00 -0.26 N HETATM 1798 CA ALA A 3 -10.022 4.917 -32.454 1.00 0.16 C HETATM 1799 C ALA A 3 -9.455 5.643 -33.637 1.00 0.21 C HETATM 1800 O ALA A 3 -8.746 5.078 -34.443 1.00 -0.39 O HETATM 1801 N ALA A 3 -9.794 6.912 -33.728 1.00 -0.26 N HETATM 1802 CA ALA A 3 -9.356 7.724 -34.817 1.00 0.13 C HETATM 1803 C ALA A 3 -8.015 8.079 -34.319 1.00 0.20 C HETATM 1804 O ALA A 3 -7.728 7.802 -33.189 1.00 -0.39 O HETATM 1805 N ALA A 3 -7.168 8.632 -35.156 1.00 -0.26 N HETATM 1806 CA ALA A 3 -5.886 9.074 -34.706 1.00 0.13 C HETATM 1807 C ALA A 3 -5.957 10.549 -34.532 1.00 0.20 C HETATM 1808 O ALA A 3 -6.601 11.228 -35.283 1.00 -0.39 O HETATM 1809 N ALA A 3 -5.270 11.052 -33.538 1.00 -0.26 N HETATM 1810 CA ALA A 3 -5.291 12.465 -33.274 1.00 0.13 C HETATM 1811 C ALA A 3 -4.316 13.220 -34.154 1.00 0.20 C HETATM 1812 O ALA A 3 -3.183 12.829 -34.315 1.00 -0.39 O HETATM 1813 N ALA A 3 -4.759 14.321 -34.715 1.00 -0.26 N HETATM 1814 CA ALA A 3 -3.885 15.160 -35.480 1.00 0.13 C HETATM 1815 C ALA A 3 -3.861 16.424 -34.695 1.00 0.20 C HETATM 1816 O ALA A 3 -4.890 16.938 -34.299 1.00 -0.39 O HETATM 1817 N ALA A 3 -2.668 16.906 -34.433 1.00 -0.26 N HETATM 1818 CA ALA A 3 -2.510 18.017 -33.590 1.00 0.13 C HETATM 1819 CB ALA A 3 -1.288 17.675 -32.789 1.00 -0.01 C HETATM 1820 CG ALA A 3 -1.634 17.338 -31.368 1.00 -0.04 C HETATM 1821 CD ALA A 3 -0.542 17.879 -30.499 1.00 -0.01 C HETATM 1822 CE ALA A 3 -0.282 16.901 -29.395 1.00 -0.03 C HETATM 1823 NZ ALA A 3 0.722 17.332 -28.480 1.00 0.24 N HETATM 1824 CM1 ALA A 3 0.336 18.573 -27.877 1.00 -0.04 C HETATM 1825 H61 ALA A 3 1.117 18.897 -27.173 1.00 0.08 H HETATM 1826 H62 ALA A 3 -0.612 18.439 -27.336 1.00 0.08 H HETATM 1827 H63 ALA A 3 0.207 19.336 -28.659 1.00 0.08 H HETATM 1828 CM2 ALA A 3 1.961 17.493 -29.186 1.00 -0.04 C HETATM 1829 H64 ALA A 3 2.248 16.536 -29.645 1.00 0.08 H HETATM 1830 H65 ALA A 3 2.745 17.813 -28.483 1.00 0.08 H HETATM 1831 H66 ALA A 3 1.840 18.254 -29.971 1.00 0.08 H HETATM 1832 CM3 ALA A 3 0.864 16.325 -27.471 1.00 -0.04 C HETATM 1833 H67 ALA A 3 -0.089 16.207 -26.934 1.00 0.08 H HETATM 1834 H68 ALA A 3 1.650 16.625 -26.762 1.00 0.08 H HETATM 1835 H69 ALA A 3 1.140 15.370 -27.942 1.00 0.08 H HETATM 1836 H59 ALA A 3 0.040 15.949 -29.842 1.00 0.08 H HETATM 1837 H60 ALA A 3 -1.218 16.747 -28.838 1.00 0.08 H HETATM 1838 H57 ALA A 3 -0.851 18.845 -30.073 1.00 0.03 H HETATM 1839 H58 ALA A 3 0.372 18.017 -31.095 1.00 0.03 H HETATM 1840 H55 ALA A 3 -1.704 16.247 -31.247 1.00 0.03 H HETATM 1841 H56 ALA A 3 -2.594 17.800 -31.096 1.00 0.03 H HETATM 1842 H53 ALA A 3 -0.605 18.537 -32.795 1.00 0.03 H HETATM 1843 H54 ALA A 3 -0.790 16.809 -33.250 1.00 0.03 H HETATM 1844 C ALA A 3 -2.220 19.072 -34.547 1.00 0.20 C HETATM 1845 O ALA A 3 -1.940 18.757 -35.673 1.00 -0.39 O HETATM 1846 N ALA A 3 -2.313 20.309 -34.138 1.00 -0.26 N HETATM 1847 CA ALA A 3 -1.944 21.477 -34.927 1.00 0.15 C HETATM 1848 C ALA A 3 -0.523 21.893 -34.622 1.00 0.21 C HETATM 1849 O ALA A 3 0.232 21.165 -33.977 1.00 -0.39 O HETATM 1850 N ALA A 3 -0.171 23.080 -35.093 1.00 -0.26 N HETATM 1851 CA ALA A 3 1.113 23.677 -34.785 1.00 0.13 C HETATM 1852 C ALA A 3 0.911 24.779 -33.757 1.00 0.21 C HETATM 1853 O ALA A 3 -0.088 25.497 -33.805 1.00 -0.39 O HETATM 1854 N ALA A 3 1.852 24.901 -32.812 1.00 -0.25 N HETATM 1855 CA ALA A 3 1.801 25.933 -31.773 1.00 0.13 C HETATM 1856 C ALA A 3 1.657 27.332 -32.363 1.00 0.20 C HETATM 1857 O ALA A 3 2.356 27.667 -33.320 1.00 -0.39 O HETATM 1858 N ALA A 3 0.746 28.120 -31.797 1.00 -0.26 N HETATM 1859 CA ALA A 3 0.508 29.495 -32.227 1.00 0.13 C HETATM 1860 C ALA A 3 0.118 29.578 -33.699 1.00 0.20 C HETATM 1861 O ALA A 3 0.789 30.236 -34.494 1.00 -0.39 O HETATM 1862 N ALA A 3 -0.965 28.897 -34.054 1.00 -0.26 N HETATM 1863 CA ALA A 3 -1.544 29.006 -35.387 1.00 0.16 C HETATM 1864 C ALA A 3 -3.054 29.161 -35.257 1.00 0.21 C HETATM 1865 O ALA A 3 -3.622 28.848 -34.211 1.00 -0.39 O HETATM 1866 N ALA A 3 -3.706 29.629 -36.317 1.00 -0.27 N HETATM 1867 CA ALA A 3 -5.136 29.879 -36.265 1.00 0.12 C HETATM 1868 C ALA A 3 -5.931 29.340 -37.439 1.00 0.20 C HETATM 1869 O ALA A 3 -5.376 29.025 -38.493 1.00 -0.39 O HETATM 1870 N ALA A 3 -7.242 29.231 -37.246 1.00 -0.27 N HETATM 1871 CA ALA A 3 -8.148 28.817 -38.300 1.00 0.12 C HETATM 1872 C ALA A 3 -8.744 30.022 -39.002 1.00 0.20 C HETATM 1873 O ALA A 3 -9.424 30.840 -38.382 1.00 -0.39 O HETATM 1874 N ALA A 3 -8.486 30.126 -40.301 1.00 -0.26 N HETATM 1875 CA ALA A 3 -8.888 31.287 -41.091 1.00 0.13 C HETATM 1876 C ALA A 3 -10.410 31.437 -41.178 1.00 0.20 C HETATM 1877 O ALA A 3 -10.931 32.555 -41.197 1.00 -0.39 O HETATM 1878 N ALA A 3 -11.118 30.310 -41.200 1.00 -0.27 N HETATM 1879 CA ALA A 3 -12.573 30.302 -41.363 1.00 0.09 C HETATM 1880 C ALA A 3 -13.307 31.140 -40.313 1.00 0.06 C HETATM 1881 O ALA A 3 -12.735 31.531 -39.295 1.00 -0.57 O HETATM 1882 OXT ALA A 3 -14.491 31.448 -40.456 1.00 -0.57 O HETATM 1883 CB ALA A 3 -13.100 28.864 -41.322 1.00 -0.02 C HETATM 1884 CG ALA A 3 -12.417 27.916 -42.296 1.00 -0.04 C HETATM 1885 CD ALA A 3 -12.537 28.406 -43.730 1.00 -0.01 C HETATM 1886 CE ALA A 3 -12.436 27.253 -44.718 1.00 -0.04 C HETATM 1887 NZ ALA A 3 -11.086 26.626 -44.716 1.00 0.22 N HETATM 1888 H124 ALA A 3 -11.066 25.870 -45.383 1.00 0.20 H HETATM 1889 H125 ALA A 3 -10.883 26.268 -43.796 1.00 0.20 H HETATM 1890 H126 ALA A 3 -10.395 27.315 -44.968 1.00 0.20 H HETATM 1891 H122 ALA A 3 -12.648 27.633 -45.728 1.00 0.08 H HETATM 1892 H123 ALA A 3 -13.181 26.490 -44.449 1.00 0.08 H HETATM 1893 H120 ALA A 3 -11.728 29.123 -43.932 1.00 0.03 H HETATM 1894 H121 ALA A 3 -13.509 28.904 -43.858 1.00 0.03 H HETATM 1895 H118 ALA A 3 -12.886 26.924 -42.217 1.00 0.03 H HETATM 1896 H119 ALA A 3 -11.352 27.840 -42.033 1.00 0.03 H HETATM 1897 H116 ALA A 3 -14.174 28.884 -41.558 1.00 0.03 H HETATM 1898 H117 ALA A 3 -12.956 28.474 -40.304 1.00 0.03 H HETATM 1899 H115 ALA A 3 -12.800 30.728 -42.352 1.00 0.07 H HETATM 1900 H114 ALA A 3 -10.639 29.438 -41.102 1.00 0.19 H HETATM 1901 CB ALA A 3 -8.286 31.205 -42.516 1.00 -0.01 C HETATM 1902 CG1 ALA A 3 -8.945 32.202 -43.460 1.00 -0.06 C HETATM 1903 H108 ALA A 3 -8.493 32.115 -44.459 1.00 0.02 H HETATM 1904 H109 ALA A 3 -8.796 33.223 -43.078 1.00 0.02 H HETATM 1905 H110 ALA A 3 -10.022 31.989 -43.525 1.00 0.02 H HETATM 1906 CG2 ALA A 3 -6.780 31.418 -42.465 1.00 -0.06 C HETATM 1907 H111 ALA A 3 -6.329 30.687 -41.778 1.00 0.02 H HETATM 1908 H112 ALA A 3 -6.566 32.436 -42.109 1.00 0.02 H HETATM 1909 H113 ALA A 3 -6.356 31.285 -43.471 1.00 0.02 H HETATM 1910 H107 ALA A 3 -8.475 30.195 -42.907 1.00 0.03 H HETATM 1911 H106 ALA A 3 -8.487 32.185 -40.597 1.00 0.08 H HETATM 1912 H105 ALA A 3 -7.998 29.381 -40.755 1.00 0.19 H HETATM 1913 H103 ALA A 3 -8.959 28.216 -37.863 1.00 0.08 H HETATM 1914 H104 ALA A 3 -7.596 28.210 -39.032 1.00 0.08 H HETATM 1915 H102 ALA A 3 -7.616 29.442 -36.343 1.00 0.19 H HETATM 1916 H100 ALA A 3 -5.290 30.967 -36.222 1.00 0.08 H HETATM 1917 H101 ALA A 3 -5.529 29.416 -35.347 1.00 0.08 H HETATM 1918 H99 ALA A 3 -3.204 29.812 -37.163 1.00 0.19 H HETATM 1919 CB ALA A 3 -1.220 27.782 -36.265 1.00 0.09 C HETATM 1920 OG1 ALA A 3 -1.689 26.591 -35.622 1.00 -0.39 O HETATM 1921 H95 ALA A 3 -1.260 26.498 -34.779 1.00 0.21 H HETATM 1922 CG2 ALA A 3 0.280 27.671 -36.502 1.00 -0.03 C HETATM 1923 H96 ALA A 3 0.488 26.792 -37.130 1.00 0.03 H HETATM 1924 H97 ALA A 3 0.797 27.563 -35.537 1.00 0.03 H HETATM 1925 H98 ALA A 3 0.639 28.578 -37.011 1.00 0.03 H HETATM 1926 H94 ALA A 3 -1.728 27.894 -37.234 1.00 0.06 H HETATM 1927 H93 ALA A 3 -1.132 29.901 -35.875 1.00 0.08 H HETATM 1928 H92 ALA A 3 -1.397 28.291 -33.386 1.00 0.19 H HETATM 1929 CB ALA A 3 1.735 30.358 -31.955 1.00 -0.02 C HETATM 1930 H89 ALA A 3 1.538 31.389 -32.285 1.00 0.03 H HETATM 1931 H90 ALA A 3 2.597 29.955 -32.507 1.00 0.03 H HETATM 1932 H91 ALA A 3 1.955 30.353 -30.877 1.00 0.03 H HETATM 1933 H88 ALA A 3 -0.329 29.892 -31.634 1.00 0.08 H HETATM 1934 H87 ALA A 3 0.200 27.754 -31.043 1.00 0.19 H HETATM 1935 CB ALA A 3 3.145 25.775 -31.058 1.00 -0.01 C HETATM 1936 CG ALA A 3 3.522 24.355 -31.285 1.00 -0.03 C HETATM 1937 CD ALA A 3 3.021 24.019 -32.657 1.00 0.04 C HETATM 1938 H85 ALA A 3 3.783 24.236 -33.420 1.00 0.05 H HETATM 1939 H86 ALA A 3 2.728 22.961 -32.722 1.00 0.05 H HETATM 1940 H83 ALA A 3 3.047 23.707 -30.534 1.00 0.03 H HETATM 1941 H84 ALA A 3 4.614 24.235 -31.235 1.00 0.03 H HETATM 1942 H81 ALA A 3 3.040 25.982 -29.983 1.00 0.03 H HETATM 1943 H82 ALA A 3 3.897 26.451 -31.490 1.00 0.03 H HETATM 1944 H80 ALA A 3 0.966 25.746 -31.082 1.00 0.08 H HETATM 1945 CB ALA A 3 1.767 24.223 -36.042 1.00 -0.02 C HETATM 1946 H77 ALA A 3 2.738 24.671 -35.785 1.00 0.03 H HETATM 1947 H78 ALA A 3 1.117 24.989 -36.490 1.00 0.03 H HETATM 1948 H79 ALA A 3 1.919 23.405 -36.761 1.00 0.03 H HETATM 1949 H76 ALA A 3 1.770 22.907 -34.356 1.00 0.08 H HETATM 1950 H75 ALA A 3 -0.810 23.579 -35.678 1.00 0.19 H HETATM 1951 CB ALA A 3 -2.873 22.654 -34.660 1.00 0.08 C HETATM 1952 OG ALA A 3 -2.881 22.988 -33.281 1.00 -0.39 O HETATM 1953 H74 ALA A 3 -3.181 22.241 -32.777 1.00 0.21 H HETATM 1954 H72 ALA A 3 -3.893 22.386 -34.972 1.00 0.06 H HETATM 1955 H73 ALA A 3 -2.529 23.523 -35.239 1.00 0.06 H HETATM 1956 H71 ALA A 3 -2.015 21.210 -35.992 1.00 0.08 H HETATM 1957 H70 ALA A 3 -2.663 20.466 -33.215 1.00 0.19 H HETATM 1958 H52 ALA A 3 -3.382 18.239 -32.958 1.00 0.08 H HETATM 1959 H51 ALA A 3 -1.862 16.476 -34.839 1.00 0.19 H HETATM 1960 CB ALA A 3 -4.426 15.388 -36.881 1.00 -0.01 C HETATM 1961 CG ALA A 3 -3.410 15.205 -37.995 1.00 -0.02 C HETATM 1962 CD ALA A 3 -3.111 16.516 -38.698 1.00 0.06 C HETATM 1963 NE ALA A 3 -2.001 16.398 -39.639 1.00 -0.27 N HETATM 1964 CZ ALA A 3 -2.081 16.673 -40.936 1.00 0.29 C HETATM 1965 NH1 ALA A 3 -1.017 16.541 -41.704 1.00 -0.28 N HETATM 1966 H47 ALA A 3 -1.078 16.754 -42.710 1.00 0.26 H HETATM 1967 H48 ALA A 3 -0.125 16.225 -41.298 1.00 0.26 H HETATM 1968 NH2 ALA A 3 -3.223 17.085 -41.466 1.00 -0.28 N HETATM 1969 H49 ALA A 3 -4.058 17.190 -40.872 1.00 0.26 H HETATM 1970 H50 ALA A 3 -3.276 17.300 -42.472 1.00 0.26 H HETATM 1971 H46 ALA A 3 -1.093 16.079 -39.272 1.00 0.26 H HETATM 1972 H44 ALA A 3 -2.855 17.273 -37.942 1.00 0.07 H HETATM 1973 H45 ALA A 3 -4.009 16.836 -39.248 1.00 0.07 H HETATM 1974 H42 ALA A 3 -3.809 14.489 -38.729 1.00 0.03 H HETATM 1975 H43 ALA A 3 -2.478 14.809 -37.566 1.00 0.03 H HETATM 1976 H40 ALA A 3 -4.812 16.417 -36.935 1.00 0.03 H HETATM 1977 H41 ALA A 3 -5.250 14.678 -37.049 1.00 0.03 H HETATM 1978 H39 ALA A 3 -2.879 14.721 -35.547 1.00 0.08 H HETATM 1979 H38 ALA A 3 -5.720 14.578 -34.607 1.00 0.19 H HETATM 1980 CB ALA A 3 -4.963 12.707 -31.829 1.00 -0.02 C HETATM 1981 H35 ALA A 3 -4.979 13.788 -31.625 1.00 0.03 H HETATM 1982 H36 ALA A 3 -3.962 12.307 -31.608 1.00 0.03 H HETATM 1983 H37 ALA A 3 -5.707 12.204 -31.195 1.00 0.03 H HETATM 1984 H34 ALA A 3 -6.304 12.842 -33.477 1.00 0.08 H HETATM 1985 H33 ALA A 3 -4.725 10.448 -32.957 1.00 0.19 H HETATM 1986 CB ALA A 3 -4.852 8.730 -35.731 1.00 -0.02 C HETATM 1987 H30 ALA A 3 -3.865 9.070 -35.385 1.00 0.03 H HETATM 1988 H31 ALA A 3 -5.098 9.226 -36.681 1.00 0.03 H HETATM 1989 H32 ALA A 3 -4.832 7.640 -35.881 1.00 0.03 H HETATM 1990 H29 ALA A 3 -5.633 8.593 -33.749 1.00 0.08 H HETATM 1991 H28 ALA A 3 -7.422 8.745 -36.117 1.00 0.19 H HETATM 1992 CB ALA A 3 -10.241 8.945 -34.963 1.00 -0.01 C HETATM 1993 CG ALA A 3 -10.679 9.209 -36.391 1.00 -0.04 C HETATM 1994 CD ALA A 3 -11.148 10.643 -36.573 1.00 -0.01 C HETATM 1995 CE ALA A 3 -11.253 11.030 -38.042 1.00 -0.04 C HETATM 1996 NZ ALA A 3 -10.501 12.272 -38.393 1.00 0.22 N HETATM 1997 H25 ALA A 3 -10.614 12.467 -39.375 1.00 0.20 H HETATM 1998 H26 ALA A 3 -9.523 12.142 -38.187 1.00 0.20 H HETATM 1999 H27 ALA A 3 -10.858 13.045 -37.854 1.00 0.20 H HETATM 2000 H23 ALA A 3 -12.314 11.187 -38.284 1.00 0.08 H HETATM 2001 H24 ALA A 3 -10.857 10.202 -38.648 1.00 0.08 H HETATM 2002 H21 ALA A 3 -10.431 11.316 -36.080 1.00 0.03 H HETATM 2003 H22 ALA A 3 -12.137 10.755 -36.105 1.00 0.03 H HETATM 2004 H19 ALA A 3 -11.505 8.528 -36.643 1.00 0.03 H HETATM 2005 H20 ALA A 3 -9.831 9.022 -37.066 1.00 0.03 H HETATM 2006 H17 ALA A 3 -9.685 9.823 -34.602 1.00 0.03 H HETATM 2007 H18 ALA A 3 -11.139 8.800 -34.345 1.00 0.03 H HETATM 2008 H16 ALA A 3 -9.316 7.171 -35.767 1.00 0.08 H HETATM 2009 H15 ALA A 3 -10.371 7.316 -33.018 1.00 0.19 H HETATM 2010 CB ALA A 3 -8.880 4.459 -31.537 1.00 0.09 C HETATM 2011 OG1 ALA A 3 -8.980 3.055 -31.318 1.00 -0.39 O HETATM 2012 H11 ALA A 3 -8.272 2.773 -30.750 1.00 0.21 H HETATM 2013 CG2 ALA A 3 -8.987 5.117 -30.228 1.00 -0.03 C HETATM 2014 H12 ALA A 3 -8.164 4.781 -29.580 1.00 0.03 H HETATM 2015 H13 ALA A 3 -9.949 4.855 -29.764 1.00 0.03 H HETATM 2016 H14 ALA A 3 -8.928 6.207 -30.360 1.00 0.03 H HETATM 2017 H10 ALA A 3 -7.913 4.702 -32.002 1.00 0.06 H HETATM 2018 H9 ALA A 3 -10.696 5.577 -31.889 1.00 0.08 H HETATM 2019 H8 ALA A 3 -10.500 2.859 -32.760 1.00 0.19 H HETATM 2020 CB ALA A 3 -12.375 2.312 -35.470 1.00 -0.00 C HETATM 2021 H5 ALA A 3 -11.350 1.912 -35.456 1.00 0.03 H HETATM 2022 H6 ALA A 3 -12.450 3.103 -36.231 1.00 0.03 H HETATM 2023 H7 ALA A 3 -13.081 1.504 -35.711 1.00 0.03 H HETATM 2024 H4 ALA A 3 -12.616 2.100 -33.344 1.00 0.11 H HETATM 2025 H1 ALA A 3 -14.719 2.689 -34.319 1.00 0.20 H HETATM 2026 H2 ALA A 3 -14.140 4.155 -34.792 1.00 0.20 H HETATM 2027 H3 ALA A 3 -14.276 3.802 -33.190 1.00 0.20 H CONECT 1 2 7 8 9 CONECT 8 1 CONECT 9 1 CONECT 1363 1362 1791 CONECT 1383 1382 1791 CONECT 1504 1503 1792 CONECT 1521 1518 1522 1527 1792 CONECT 1526 1525 1792 CONECT 1579 1578 1581 1791 CONECT 1602 1601 1791 CONECT 1788 1787 1792 CONECT 1791 1363 1383 1579 1602 CONECT 1792 1504 1521 1526 1788 CONECT 1793 1794 2025 2026 2027 CONECT 1794 1793 1795 2020 2024 CONECT 1795 1794 1796 1797 CONECT 1796 1795 CONECT 1797 1795 1798 2019 CONECT 1798 1797 1799 2010 2018 CONECT 1799 1798 1800 1801 CONECT 1800 1799 CONECT 1801 1799 1802 2009 CONECT 1802 1801 1803 1992 2008 CONECT 1803 1802 1804 1805 CONECT 1804 1803 CONECT 1805 1803 1806 1991 CONECT 1806 1805 1807 1986 1990 CONECT 1807 1806 1808 1809 CONECT 1808 1807 CONECT 1809 1807 1810 1985 CONECT 1810 1809 1811 1980 1984 CONECT 1811 1810 1812 1813 CONECT 1812 1811 CONECT 1813 1811 1814 1979 CONECT 1814 1813 1815 1960 1978 CONECT 1815 1814 1816 1817 CONECT 1816 1815 CONECT 1817 1815 1818 1959 CONECT 1818 1817 1819 1844 1958 CONECT 1819 1818 1820 1842 1843 CONECT 1820 1819 1821 1840 1841 CONECT 1821 1820 1822 1838 1839 CONECT 1822 1821 1823 1836 1837 CONECT 1823 1822 1824 1828 1832 CONECT 1824 1823 1825 1826 1827 CONECT 1825 1824 CONECT 1826 1824 CONECT 1827 1824 CONECT 1828 1823 1829 1830 1831 CONECT 1829 1828 CONECT 1830 1828 CONECT 1831 1828 CONECT 1832 1823 1833 1834 1835 CONECT 1833 1832 CONECT 1834 1832 CONECT 1835 1832 CONECT 1836 1822 CONECT 1837 1822 CONECT 1838 1821 CONECT 1839 1821 CONECT 1840 1820 CONECT 1841 1820 CONECT 1842 1819 CONECT 1843 1819 CONECT 1844 1818 1845 1846 CONECT 1845 1844 CONECT 1846 1844 1847 1957 CONECT 1847 1846 1848 1951 1956 CONECT 1848 1847 1849 1850 CONECT 1849 1848 CONECT 1850 1848 1851 1950 CONECT 1851 1850 1852 1945 1949 CONECT 1852 1851 1853 1854 CONECT 1853 1852 CONECT 1854 1852 1855 1937 CONECT 1855 1854 1856 1935 1944 CONECT 1856 1855 1857 1858 CONECT 1857 1856 CONECT 1858 1856 1859 1934 CONECT 1859 1858 1860 1929 1933 CONECT 1860 1859 1861 1862 CONECT 1861 1860 CONECT 1862 1860 1863 1928 CONECT 1863 1862 1864 1919 1927 CONECT 1864 1863 1865 1866 CONECT 1865 1864 CONECT 1866 1864 1867 1918 CONECT 1867 1866 1868 1916 1917 CONECT 1868 1867 1869 1870 CONECT 1869 1868 CONECT 1870 1868 1871 1915 CONECT 1871 1870 1872 1913 1914 CONECT 1872 1871 1873 1874 CONECT 1873 1872 CONECT 1874 1872 1875 1912 CONECT 1875 1874 1876 1901 1911 CONECT 1876 1875 1877 1878 CONECT 1877 1876 CONECT 1878 1876 1879 1900 CONECT 1879 1878 1880 1883 1899 CONECT 1880 1879 1881 1882 CONECT 1881 1880 CONECT 1882 1880 CONECT 1883 1879 1884 1897 1898 CONECT 1884 1883 1885 1895 1896 CONECT 1885 1884 1886 1893 1894 CONECT 1886 1885 1887 1891 1892 CONECT 1887 1886 1888 1889 1890 CONECT 1888 1887 CONECT 1889 1887 CONECT 1890 1887 CONECT 1891 1886 CONECT 1892 1886 CONECT 1893 1885 CONECT 1894 1885 CONECT 1895 1884 CONECT 1896 1884 CONECT 1897 1883 CONECT 1898 1883 CONECT 1899 1879 CONECT 1900 1878 CONECT 1901 1875 1902 1906 1910 CONECT 1902 1901 1903 1904 1905 CONECT 1903 1902 CONECT 1904 1902 CONECT 1905 1902 CONECT 1906 1901 1907 1908 1909 CONECT 1907 1906 CONECT 1908 1906 CONECT 1909 1906 CONECT 1910 1901 CONECT 1911 1875 CONECT 1912 1874 CONECT 1913 1871 CONECT 1914 1871 CONECT 1915 1870 CONECT 1916 1867 CONECT 1917 1867 CONECT 1918 1866 CONECT 1919 1863 1920 1922 1926 CONECT 1920 1919 1921 CONECT 1921 1920 CONECT 1922 1919 1923 1924 1925 CONECT 1923 1922 CONECT 1924 1922 CONECT 1925 1922 CONECT 1926 1919 CONECT 1927 1863 CONECT 1928 1862 CONECT 1929 1859 1930 1931 1932 CONECT 1930 1929 CONECT 1931 1929 CONECT 1932 1929 CONECT 1933 1859 CONECT 1934 1858 CONECT 1935 1855 1936 1942 1943 CONECT 1936 1935 1937 1940 1941 CONECT 1937 1854 1936 1938 1939 CONECT 1938 1937 CONECT 1939 1937 CONECT 1940 1936 CONECT 1941 1936 CONECT 1942 1935 CONECT 1943 1935 CONECT 1944 1855 CONECT 1945 1851 1946 1947 1948 CONECT 1946 1945 CONECT 1947 1945 CONECT 1948 1945 CONECT 1949 1851 CONECT 1950 1850 CONECT 1951 1847 1952 1954 1955 CONECT 1952 1951 1953 CONECT 1953 1952 CONECT 1954 1951 CONECT 1955 1951 CONECT 1956 1847 CONECT 1957 1846 CONECT 1958 1818 CONECT 1959 1817 CONECT 1960 1814 1961 1976 1977 CONECT 1961 1960 1962 1974 1975 CONECT 1962 1961 1963 1972 1973 CONECT 1963 1962 1964 1971 CONECT 1964 1963 1965 1968 CONECT 1965 1964 1966 1967 CONECT 1966 1965 CONECT 1967 1965 CONECT 1968 1964 1969 1970 CONECT 1969 1968 CONECT 1970 1968 CONECT 1971 1963 CONECT 1972 1962 CONECT 1973 1962 CONECT 1974 1961 CONECT 1975 1961 CONECT 1976 1960 CONECT 1977 1960 CONECT 1978 1814 CONECT 1979 1813 CONECT 1980 1810 1981 1982 1983 CONECT 1981 1980 CONECT 1982 1980 CONECT 1983 1980 CONECT 1984 1810 CONECT 1985 1809 CONECT 1986 1806 1987 1988 1989 CONECT 1987 1986 CONECT 1988 1986 CONECT 1989 1986 CONECT 1990 1806 CONECT 1991 1805 CONECT 1992 1802 1993 2006 2007 CONECT 1993 1992 1994 2004 2005 CONECT 1994 1993 1995 2002 2003 CONECT 1995 1994 1996 2000 2001 CONECT 1996 1995 1997 1998 1999 CONECT 1997 1996 CONECT 1998 1996 CONECT 1999 1996 CONECT 2000 1995 CONECT 2001 1995 CONECT 2002 1994 CONECT 2003 1994 CONECT 2004 1993 CONECT 2005 1993 CONECT 2006 1992 CONECT 2007 1992 CONECT 2008 1802 CONECT 2009 1801 CONECT 2010 1798 2011 2013 2017 CONECT 2011 2010 2012 CONECT 2012 2011 CONECT 2013 2010 2014 2015 2016 CONECT 2014 2013 CONECT 2015 2013 CONECT 2016 2013 CONECT 2017 2010 CONECT 2018 1798 CONECT 2019 1797 CONECT 2020 1794 2021 2022 2023 CONECT 2021 2020 CONECT 2022 2020 CONECT 2023 2020 CONECT 2024 1794 CONECT 2025 1793 CONECT 2026 1793 CONECT 2027 1793 MASTER 0 0 0 0 0 0 0 0 2026 1 248 14 END
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Related entries of code: 5znr
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
2ndf
RCSB PDB
PDBbind
13aa, >2NDF_2|Chain... at 100%
3iiw
RCSB PDB
PDBbind
11aa, >3IIW_2|Chain... at 100%
3o34
RCSB PDB
PDBbind
22aa, >3O34_2|Chain... at 90%
4gu0
RCSB PDB
PDBbind
26aa, >4GU0_2|Chains... at 96%
5dah
RCSB PDB
PDBbind
11aa, >5DAH_2|Chains... at 100%
5j3v
RCSB PDB
PDBbind
17aa, >5J3V_2|Chains... at 100%
5wfc
RCSB PDB
PDBbind
11aa, >5WFC_3|Chain... at 100%
5wvo
RCSB PDB
PDBbind
37aa, >5WVO_3|Chain... at 91%
6axj
RCSB PDB
PDBbind
11aa, >6AXJ_2|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1czq
RCSB PDB
PDBbind
17-mer
1ej4
RCSB PDB
PDBbind
17-mer
1f47
RCSB PDB
PDBbind
17-mer
1i5h
RCSB PDB
PDBbind
17-mer
1mxl
RCSB PDB
PDBbind
17-mer
1r2b
RCSB PDB
PDBbind
17-mer
1ybo
RCSB PDB
PDBbind
17-mer
2br8
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PDBbind
17-mer
2fys
RCSB PDB
PDBbind
17-mer
2jq9
RCSB PDB
PDBbind
17-mer
2krd
RCSB PDB
PDBbind
17-mer
2ll6
RCSB PDB
PDBbind
17-mer
2ll7
RCSB PDB
PDBbind
17-mer
2n3k
RCSB PDB
PDBbind
17-mer
2n9x
RCSB PDB
PDBbind
17-mer
2nm1
RCSB PDB
PDBbind
17-mer
2odd
RCSB PDB
PDBbind
17-mer
2r3c
RCSB PDB
PDBbind
17-mer
2r5b
RCSB PDB
PDBbind
17-mer
2r5d
RCSB PDB
PDBbind
17-mer
2uz6
RCSB PDB
PDBbind
17-mer
2w73
RCSB PDB
PDBbind
17-mer
2y6s
RCSB PDB
PDBbind
17-mer
3fdm
RCSB PDB
PDBbind
17-mer
6s07
RCSB PDB
PDBbind
17-mer
3ktr
RCSB PDB
PDBbind
17-mer
3o0e
RCSB PDB
PDBbind
17-mer
3qn7
RCSB PDB
PDBbind
17-mer
3t7g
RCSB PDB
PDBbind
17-mer
3u3f
RCSB PDB
PDBbind
17-mer
3uxg
RCSB PDB
PDBbind
17-mer
3uzd
RCSB PDB
PDBbind
17-mer
3v30
RCSB PDB
PDBbind
17-mer
3wp1
RCSB PDB
PDBbind
17-mer
4b60
RCSB PDB
PDBbind
17-mer
4blb
RCSB PDB
PDBbind
17-mer
4djs
RCSB PDB
PDBbind
17-mer
4esg
RCSB PDB
PDBbind
17-mer
4fmq
RCSB PDB
PDBbind
17-mer
4gy5
RCSB PDB
PDBbind
17-mer
4i31
RCSB PDB
PDBbind
17-mer
4i32
RCSB PDB
PDBbind
17-mer
4i33
RCSB PDB
PDBbind
17-mer
4j2c
RCSB PDB
PDBbind
17-mer
4kmd
RCSB PDB
PDBbind
17-mer
4lg6
RCSB PDB
PDBbind
17-mer
4ngh
RCSB PDB
PDBbind
17-mer
4nhc
RCSB PDB
PDBbind
17-mer
4odn
RCSB PDB
PDBbind
17-mer
4qqi
RCSB PDB
PDBbind
17-mer
4tzq
RCSB PDB
PDBbind
17-mer
4u0c
RCSB PDB
PDBbind
17-mer
4u0d
RCSB PDB
PDBbind
17-mer
4uu5
RCSB PDB
PDBbind
17-mer
4wym
RCSB PDB
PDBbind
17-mer
4z88
RCSB PDB
PDBbind
17-mer
4z89
RCSB PDB
PDBbind
17-mer
4z8a
RCSB PDB
PDBbind
17-mer
5ajo
RCSB PDB
PDBbind
17-mer
5ajp
RCSB PDB
PDBbind
17-mer
5fos
RCSB PDB
PDBbind
17-mer
5hog
RCSB PDB
PDBbind
17-mer
5i22
RCSB PDB
PDBbind
17-mer
5ixt
RCSB PDB
PDBbind
17-mer
5j3v
RCSB PDB
PDBbind
17-mer
5twh
RCSB PDB
PDBbind
17-mer
5vlp
RCSB PDB
PDBbind
17-mer
5vzu
RCSB PDB
PDBbind
17-mer
5xgl
RCSB PDB
PDBbind
17-mer
5xxf
RCSB PDB
PDBbind
17-mer
5yco
RCSB PDB
PDBbind
17-mer
6a6w
RCSB PDB
PDBbind
17-mer
6e49
RCSB PDB
PDBbind
17-mer
6f6d
RCSB PDB
PDBbind
17-mer
6rjp
RCSB PDB
PDBbind
17-mer
6qtm
RCSB PDB
PDBbind
17-mer
6q36
RCSB PDB
PDBbind
17-mer
6njz
RCSB PDB
PDBbind
17-mer
6kmj
RCSB PDB
PDBbind
17-mer
6dat
RCSB PDB
PDBbind
17-mer
6da1
RCSB PDB
PDBbind
17-mer
5zk5
RCSB PDB
PDBbind
17-mer
5oy3
RCSB PDB
PDBbind
17-mer
6uyx
RCSB PDB
PDBbind
17-mer
6uyy
RCSB PDB
PDBbind
17-mer
6uyz
RCSB PDB
PDBbind
17-mer
Entry Information
PDB ID
5znr
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
SHORT LIFE family protein
Ligand Name
17-mer
EC.Number
E.C.-.-.-.-
Resolution
3.2(Å)
Affinity (Kd/Ki/IC50)
Kd=21.3uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Nat Commun Vol. 9: pp. 2425-2425
Ligand Properties
Formula
C
6
7
H
1
2
7
N
2
2
O
2
0
Molecular Weight
1560.860
Exact Mass
1559.960
No. of atoms
236
No. of bonds
236
Polar Surface Area
674.63
LOGP Value
-6.54 (
Computed with XLOGP3
)
-7.12 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 20
No. of Hydrogen Bond Acceptors: 20
No. of Rotatable Bonds: 68
No. of Nitrogen and Oxygen Atoms: 42
No. of Rings: 1
Canonical SMILES
OC[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCC[NH3+])C(C)C)[C@H](O)C)C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H]([NH3+])C)CCCC[NH3+])C)C)CCC[NH+]=C(N)N)CCCC[N+](C)(C)C
InChI String
InChI=1S/C67H122N22O20/c1-34(2)50(63(105)83-45(66(108)109)23-14-17-27-69)85-49(94)32-74-48(93)31-75-62(104)51(40(8)91)87-56(98)38(6)78-61(103)47-25-20-29-88(47)65(107)39(7)79-60(102)46(33-90)84-59(101)43(22-15-18-30-89(10,11)12)81-58(100)44(24-19-28-73-67(71)72)80-55(97)37(5)76-54(96)36(4)77-57(99)42(21-13-16-26-68)82-64(106)52(41(9)92)86-53(95)35(3)70/h34-47,50-52,90-92H,13-33,68-70H2,1-12H3,(H18-,71,72,73,74,75,76,77,78,79,80,81,82,83,84,85,86,87,93,94,95,96,97,98,99,100,101,102,103,104,105,106,108,109)/p+5/t35-,36-,37-,38-,39-,40+,41+,42-,43-,44-,45-,46-,47-,50-,51-,52-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
B9H0V2
P59226
Entrez Gene ID
NCBI Entrez Gene ID:
7470015
822357
830903
830904
836661
837440
ASD
Information of known allosteric effects of PDB entries
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