Browse entries in the PDBbind-CN Database
HEADER 5T9U_COMPLEX COMPND 5T9U_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 163 VAL ASN PRO THR VAL PHE PHE ASP ILE ALA VAL ASP GLY SEQRES 2 A 163 GLU PRO LEU GLY ARG VAL SER PHE GLU LEU PHE ALA ASP SEQRES 3 A 163 LYS VAL PRO LYS THR ALA GLU ASN PHE ARG ALA LEU SER SEQRES 4 A 163 THR GLY GLU LYS GLY PHE GLY TYR LYS GLY SER CYS PHE SEQRES 5 A 163 HIS ARG ILE ILE PRO GLY PHE MET CYS GLN GLY GLY ASP SEQRES 6 A 163 PHE THR ARG HIS ASN GLY THR GLY GLY LYS SER ILE TYR SEQRES 7 A 163 GLY GLU LYS PHE GLU ASP GLU ASN PHE ILE LEU LYS HIS SEQRES 8 A 163 THR GLY PRO GLY ILE LEU SER MET ALA ASN ALA GLY PRO SEQRES 9 A 163 ASN THR ASN GLY SER GLN PHE PHE ILE CYS THR ALA LYS SEQRES 10 A 163 THR GLU TRP LEU ASP GLY LYS HIS VAL VAL PHE GLY LYS SEQRES 11 A 163 VAL LYS GLU GLY MET ASN ILE VAL GLU ALA MET GLU ARG SEQRES 12 A 163 PHE GLY SER ARG ASN GLY LYS THR SER LYS LYS ILE THR SEQRES 13 A 163 ILE ALA ASP CYS GLY GLN LEU HET UNN A 337 97 ATOM 1 N VAL A 2 89.639 76.137 85.704 1.00 41.00 N ATOM 2 CA VAL A 2 89.129 75.067 86.557 1.00 44.20 C ATOM 3 C VAL A 2 88.363 74.034 85.709 1.00 37.94 C ATOM 4 O VAL A 2 88.365 72.857 86.063 1.00 41.08 O ATOM 5 CB VAL A 2 88.244 75.617 87.734 1.00 40.44 C ATOM 6 CG1 VAL A 2 87.011 76.355 87.223 1.00 55.00 C ATOM 7 CG2 VAL A 2 87.874 74.517 88.744 1.00 45.30 C ATOM 8 HN3 VAL A 2 88.843 76.608 85.228 1.00 0.00 H ATOM 9 HN2 VAL A 2 90.282 75.735 84.992 1.00 0.00 H ATOM 10 HN1 VAL A 2 90.154 76.828 86.287 1.00 0.00 H ATOM 11 N ASN A 3 87.756 74.433 84.584 1.00 29.62 N ATOM 12 CA ASN A 3 87.257 73.426 83.624 1.00 26.99 C ATOM 13 C ASN A 3 88.421 72.570 83.152 1.00 26.67 C ATOM 14 O ASN A 3 89.442 73.099 82.731 1.00 28.83 O ATOM 15 CB ASN A 3 86.564 74.055 82.406 1.00 25.23 C ATOM 16 CG ASN A 3 85.083 74.334 82.648 1.00 29.95 C ATOM 17 OD1 ASN A 3 84.511 73.908 83.650 1.00 30.38 O ATOM 18 ND2 ASN A 3 84.461 75.039 81.725 1.00 24.20 N ATOM 19 HD22 ASN A 3 84.982 75.381 80.892 1.00 0.00 H ATOM 20 HD21 ASN A 3 83.449 75.254 81.829 1.00 0.00 H ATOM 21 H ASN A 3 87.636 75.447 84.387 1.00 0.00 H ATOM 22 N PRO A 4 88.281 71.243 83.230 1.00 26.75 N ATOM 23 CA PRO A 4 89.399 70.371 82.858 1.00 28.36 C ATOM 24 C PRO A 4 89.675 70.355 81.352 1.00 27.92 C ATOM 25 O PRO A 4 88.793 70.666 80.543 1.00 24.61 O ATOM 26 CB PRO A 4 88.943 68.986 83.343 1.00 30.22 C ATOM 27 CG PRO A 4 87.455 69.068 83.384 1.00 25.48 C ATOM 28 CD PRO A 4 87.109 70.488 83.705 1.00 23.76 C ATOM 29 N THR A 5 90.905 69.990 80.999 1.00 27.17 N ATOM 30 CA THR A 5 91.344 69.895 79.613 1.00 24.60 C ATOM 31 C THR A 5 91.864 68.494 79.367 1.00 23.73 C ATOM 32 O THR A 5 92.653 67.995 80.164 1.00 22.61 O ATOM 33 CB THR A 5 92.466 70.920 79.293 1.00 23.64 C ATOM 34 OG1 THR A 5 92.006 72.246 79.565 1.00 26.23 O ATOM 35 CG2 THR A 5 92.895 70.826 77.834 1.00 27.25 C ATOM 36 HG1 THR A 5 91.759 72.319 80.521 1.00 0.00 H ATOM 37 H THR A 5 91.587 69.761 81.750 1.00 0.00 H ATOM 38 N VAL A 6 91.410 67.837 78.301 1.00 21.74 N ATOM 39 CA VAL A 6 91.960 66.523 77.943 1.00 19.91 C ATOM 40 C VAL A 6 92.536 66.562 76.530 1.00 22.00 C ATOM 41 O VAL A 6 92.220 67.448 75.747 1.00 19.17 O ATOM 42 CB VAL A 6 90.903 65.379 78.049 1.00 28.10 C ATOM 43 CG1 VAL A 6 90.264 65.353 79.447 1.00 25.04 C ATOM 44 CG2 VAL A 6 89.855 65.525 77.010 1.00 25.99 C ATOM 45 H VAL A 6 90.660 68.258 77.717 1.00 0.00 H ATOM 46 N PHE A 7 93.412 65.623 76.213 1.00 20.27 N ATOM 47 CA PHE A 7 94.012 65.588 74.898 1.00 16.42 C ATOM 48 C PHE A 7 93.794 64.212 74.296 1.00 16.83 C ATOM 49 O PHE A 7 93.786 63.217 75.016 1.00 18.98 O ATOM 50 CB PHE A 7 95.528 65.929 74.969 1.00 17.70 C ATOM 51 CG PHE A 7 96.388 64.822 75.581 1.00 18.89 C ATOM 52 CD1 PHE A 7 96.583 64.741 76.963 1.00 18.03 C ATOM 53 CD2 PHE A 7 96.976 63.862 74.780 1.00 18.44 C ATOM 54 CE1 PHE A 7 97.351 63.720 77.535 1.00 18.54 C ATOM 55 CE2 PHE A 7 97.754 62.822 75.345 1.00 25.26 C ATOM 56 CZ PHE A 7 97.935 62.759 76.736 1.00 21.42 C ATOM 57 H PHE A 7 93.672 64.903 76.917 1.00 0.00 H ATOM 58 N PHE A 8 93.608 64.166 72.977 1.00 21.45 N ATOM 59 CA PHE A 8 93.733 62.935 72.193 1.00 19.18 C ATOM 60 C PHE A 8 94.961 63.081 71.288 1.00 23.68 C ATOM 61 O PHE A 8 95.101 64.099 70.588 1.00 22.07 O ATOM 62 CB PHE A 8 92.506 62.676 71.289 1.00 24.79 C ATOM 63 CG PHE A 8 91.221 62.301 72.013 1.00 24.08 C ATOM 64 CD1 PHE A 8 91.174 62.094 73.388 1.00 18.69 C ATOM 65 CD2 PHE A 8 90.044 62.149 71.275 1.00 23.23 C ATOM 66 CE1 PHE A 8 89.972 61.735 74.021 1.00 23.93 C ATOM 67 CE2 PHE A 8 88.837 61.798 71.894 1.00 25.28 C ATOM 68 CZ PHE A 8 88.801 61.589 73.273 1.00 23.82 C ATOM 69 H PHE A 8 93.362 65.046 72.481 1.00 0.00 H ATOM 70 N ASP A 9 95.828 62.075 71.257 1.00 19.06 N ATOM 71 CA ASP A 9 96.826 61.996 70.201 1.00 23.60 C ATOM 72 C ASP A 9 96.277 61.103 69.098 1.00 19.72 C ATOM 73 O ASP A 9 96.105 59.894 69.285 1.00 23.88 O ATOM 74 CB ASP A 9 98.170 61.450 70.724 1.00 23.40 C ATOM 75 CG ASP A 9 98.887 62.437 71.643 1.00 29.16 C ATOM 76 OD1 ASP A 9 98.542 63.644 71.651 1.00 29.28 O ATOM 77 OD2 ASP A 9 99.804 61.997 72.362 1.00 31.11 O ATOM 78 H ASP A 9 95.793 61.340 71.992 1.00 0.00 H ATOM 79 N ILE A 10 95.998 61.701 67.950 1.00 25.52 N ATOM 80 CA ILE A 10 95.392 60.992 66.822 1.00 21.53 C ATOM 81 C ILE A 10 96.458 60.350 65.931 1.00 27.14 C ATOM 82 O ILE A 10 97.425 61.017 65.559 1.00 26.54 O ATOM 83 CB ILE A 10 94.540 61.961 65.989 1.00 19.98 C ATOM 84 CG1 ILE A 10 93.429 62.564 66.861 1.00 24.10 C ATOM 85 CG2 ILE A 10 93.986 61.271 64.769 1.00 23.00 C ATOM 86 CD1 ILE A 10 92.524 61.499 67.547 1.00 23.75 C ATOM 87 H ILE A 10 96.218 62.712 67.846 1.00 0.00 H ATOM 88 N ALA A 11 96.293 59.065 65.605 1.00 22.27 N ATOM 89 CA ALA A 11 97.131 58.407 64.604 1.00 25.78 C ATOM 90 C ALA A 11 96.288 57.932 63.418 1.00 33.13 C ATOM 91 O ALA A 11 95.091 57.675 63.554 1.00 34.26 O ATOM 92 CB ALA A 11 97.897 57.224 65.212 1.00 23.48 C ATOM 93 H ALA A 11 95.546 58.516 66.077 1.00 0.00 H ATOM 94 N VAL A 12 96.929 57.825 62.260 1.00 30.93 N ATOM 95 CA VAL A 12 96.305 57.356 61.022 1.00 30.29 C ATOM 96 C VAL A 12 97.058 56.124 60.555 1.00 33.83 C ATOM 97 O VAL A 12 98.201 56.235 60.138 1.00 37.63 O ATOM 98 CB VAL A 12 96.347 58.412 59.908 1.00 35.62 C ATOM 99 CG1 VAL A 12 95.698 57.868 58.650 1.00 35.88 C ATOM 100 CG2 VAL A 12 95.680 59.716 60.345 1.00 19.02 C ATOM 101 H VAL A 12 97.934 58.090 62.231 1.00 0.00 H ATOM 102 N ASP A 13 96.418 54.962 60.627 1.00 30.19 N ATOM 103 CA ASP A 13 97.086 53.684 60.414 1.00 38.30 C ATOM 104 C ASP A 13 98.403 53.590 61.193 1.00 41.82 C ATOM 105 O ASP A 13 99.386 53.069 60.680 1.00 37.84 O ATOM 106 CB ASP A 13 97.343 53.439 58.922 1.00 41.74 C ATOM 107 CG ASP A 13 96.092 53.005 58.172 1.00 47.98 C ATOM 108 OD1 ASP A 13 95.208 52.363 58.786 1.00 52.81 O ATOM 109 OD2 ASP A 13 95.994 53.308 56.963 1.00 51.74 O ATOM 110 H ASP A 13 95.401 54.964 60.844 1.00 0.00 H ATOM 111 N GLY A 14 98.413 54.085 62.430 1.00 33.23 N ATOM 112 CA GLY A 14 99.596 53.998 63.270 1.00 27.94 C ATOM 113 C GLY A 14 100.518 55.208 63.191 1.00 28.09 C ATOM 114 O GLY A 14 101.331 55.426 64.078 1.00 39.68 O ATOM 115 H GLY A 14 97.557 54.543 62.802 1.00 0.00 H ATOM 116 N GLU A 15 100.395 55.997 62.132 1.00 28.97 N ATOM 117 CA GLU A 15 101.239 57.166 61.950 1.00 33.07 C ATOM 118 C GLU A 15 100.656 58.372 62.667 1.00 37.56 C ATOM 119 O GLU A 15 99.543 58.784 62.354 1.00 30.10 O ATOM 120 CB GLU A 15 101.406 57.514 60.457 1.00 34.48 C ATOM 121 CG GLU A 15 102.640 56.956 59.775 1.00 50.98 C ATOM 122 CD GLU A 15 103.929 57.607 60.239 1.00 45.86 C ATOM 123 OE1 GLU A 15 103.903 58.757 60.738 1.00 45.19 O ATOM 124 OE2 GLU A 15 104.980 56.951 60.122 1.00 63.80 O ATOM 125 H GLU A 15 99.677 55.774 61.414 1.00 0.00 H ATOM 126 N PRO A 16 101.421 58.954 63.609 1.00 34.62 N ATOM 127 CA PRO A 16 101.022 60.155 64.349 1.00 30.61 C ATOM 128 C PRO A 16 100.532 61.235 63.409 1.00 35.11 C ATOM 129 O PRO A 16 101.196 61.520 62.413 1.00 31.46 O ATOM 130 CB PRO A 16 102.316 60.583 65.047 1.00 29.33 C ATOM 131 CG PRO A 16 103.044 59.289 65.251 1.00 35.88 C ATOM 132 CD PRO A 16 102.726 58.436 64.053 1.00 31.82 C ATOM 133 N LEU A 17 99.379 61.815 63.709 1.00 31.68 N ATOM 134 CA LEU A 17 98.863 62.902 62.901 1.00 25.32 C ATOM 135 C LEU A 17 98.987 64.192 63.684 1.00 26.17 C ATOM 136 O LEU A 17 99.496 65.198 63.184 1.00 30.79 O ATOM 137 CB LEU A 17 97.406 62.629 62.498 1.00 23.79 C ATOM 138 CG LEU A 17 96.684 63.750 61.744 1.00 31.90 C ATOM 139 CD1 LEU A 17 97.340 64.032 60.380 1.00 22.22 C ATOM 140 CD2 LEU A 17 95.202 63.416 61.590 1.00 26.24 C ATOM 141 H LEU A 17 98.838 61.486 64.534 1.00 0.00 H ATOM 142 N GLY A 18 98.544 64.158 64.936 1.00 24.40 N ATOM 143 CA GLY A 18 98.545 65.358 65.747 1.00 21.87 C ATOM 144 C GLY A 18 97.779 65.189 67.037 1.00 21.60 C ATOM 145 O GLY A 18 97.241 64.129 67.332 1.00 26.05 O ATOM 146 H GLY A 18 98.194 63.264 65.336 1.00 0.00 H ATOM 147 N ARG A 19 97.723 66.253 67.815 1.00 23.23 N ATOM 148 CA ARG A 19 96.983 66.220 69.059 1.00 24.43 C ATOM 149 C ARG A 19 95.744 67.103 68.962 1.00 26.98 C ATOM 150 O ARG A 19 95.795 68.188 68.395 1.00 25.19 O ATOM 151 CB ARG A 19 97.872 66.672 70.212 1.00 20.21 C ATOM 152 CG ARG A 19 97.140 66.997 71.495 1.00 24.62 C ATOM 153 CD ARG A 19 98.139 67.198 72.648 1.00 23.69 C ATOM 154 NE ARG A 19 98.910 65.980 72.903 1.00 24.40 N ATOM 155 CZ ARG A 19 99.806 65.857 73.882 1.00 27.73 C ATOM 156 NH1 ARG A 19 100.055 66.880 74.697 1.00 21.17 N ATOM 157 NH2 ARG A 19 100.454 64.716 74.039 1.00 22.17 N ATOM 158 HE ARG A 19 98.749 65.161 72.283 1.00 0.00 H ATOM 159 HH12 ARG A 19 100.755 66.779 75.459 1.00 0.00 H ATOM 160 HH11 ARG A 19 99.549 67.780 74.571 1.00 0.00 H ATOM 161 HH22 ARG A 19 101.154 64.616 74.802 1.00 0.00 H ATOM 162 HH21 ARG A 19 100.264 63.918 73.400 1.00 0.00 H ATOM 163 H ARG A 19 98.215 67.124 67.532 1.00 0.00 H ATOM 164 N VAL A 20 94.633 66.626 69.506 1.00 25.04 N ATOM 165 CA VAL A 20 93.462 67.465 69.700 1.00 21.96 C ATOM 166 C VAL A 20 93.219 67.598 71.190 1.00 22.67 C ATOM 167 O VAL A 20 93.220 66.604 71.918 1.00 25.57 O ATOM 168 CB VAL A 20 92.210 66.878 69.029 1.00 25.96 C ATOM 169 CG1 VAL A 20 91.033 67.864 69.126 1.00 20.75 C ATOM 170 CG2 VAL A 20 92.507 66.505 67.585 1.00 22.72 C ATOM 171 H VAL A 20 94.599 65.629 69.801 1.00 0.00 H ATOM 172 N SER A 21 93.022 68.819 71.657 1.00 17.68 N ATOM 173 CA SER A 21 92.723 69.007 73.055 1.00 22.82 C ATOM 174 C SER A 21 91.318 69.597 73.198 1.00 22.27 C ATOM 175 O SER A 21 90.848 70.326 72.314 1.00 22.35 O ATOM 176 CB SER A 21 93.772 69.906 73.724 1.00 23.34 C ATOM 177 OG SER A 21 93.571 71.260 73.361 1.00 30.98 O ATOM 178 HG SER A 21 94.256 71.824 73.801 1.00 0.00 H ATOM 179 H SER A 21 93.082 69.639 71.020 1.00 0.00 H ATOM 180 N PHE A 22 90.656 69.273 74.304 1.00 18.98 N ATOM 181 CA PHE A 22 89.292 69.722 74.566 1.00 21.68 C ATOM 182 C PHE A 22 89.165 70.397 75.915 1.00 21.29 C ATOM 183 O PHE A 22 89.729 69.916 76.898 1.00 22.26 O ATOM 184 CB PHE A 22 88.308 68.547 74.553 1.00 20.43 C ATOM 185 CG PHE A 22 88.445 67.630 73.378 1.00 23.87 C ATOM 186 CD1 PHE A 22 87.675 67.824 72.235 1.00 19.19 C ATOM 187 CD2 PHE A 22 89.310 66.548 73.428 1.00 20.84 C ATOM 188 CE1 PHE A 22 87.776 66.957 71.153 1.00 19.62 C ATOM 189 CE2 PHE A 22 89.430 65.676 72.348 1.00 25.53 C ATOM 190 CZ PHE A 22 88.663 65.882 71.206 1.00 25.56 C ATOM 191 H PHE A 22 91.129 68.675 75.012 1.00 0.00 H ATOM 192 N GLU A 23 88.401 71.488 75.975 1.00 22.90 N ATOM 193 CA GLU A 23 87.874 71.984 77.247 1.00 20.98 C ATOM 194 C GLU A 23 86.578 71.225 77.577 1.00 24.81 C ATOM 195 O GLU A 23 85.721 71.067 76.715 1.00 22.69 O ATOM 196 CB GLU A 23 87.603 73.489 77.190 1.00 20.43 C ATOM 197 CG GLU A 23 86.916 74.008 78.454 1.00 25.17 C ATOM 198 CD GLU A 23 86.535 75.486 78.397 1.00 34.28 C ATOM 199 OE1 GLU A 23 86.796 76.141 77.367 1.00 31.22 O ATOM 200 OE2 GLU A 23 85.976 75.995 79.398 1.00 31.32 O ATOM 201 H GLU A 23 88.174 71.998 75.098 1.00 0.00 H ATOM 202 N LEU A 24 86.438 70.742 78.808 1.00 24.32 N ATOM 203 CA LEU A 24 85.211 70.051 79.200 1.00 20.45 C ATOM 204 C LEU A 24 84.431 70.975 80.097 1.00 25.48 C ATOM 205 O LEU A 24 84.975 71.504 81.071 1.00 23.91 O ATOM 206 CB LEU A 24 85.497 68.732 79.919 1.00 18.60 C ATOM 207 CG LEU A 24 86.467 67.782 79.228 1.00 21.17 C ATOM 208 CD1 LEU A 24 86.579 66.465 80.018 1.00 17.11 C ATOM 209 CD2 LEU A 24 86.000 67.524 77.804 1.00 20.56 C ATOM 210 H LEU A 24 87.208 70.857 79.498 1.00 0.00 H ATOM 211 N PHE A 25 83.158 71.175 79.774 1.00 23.97 N ATOM 212 CA PHE A 25 82.365 72.181 80.469 1.00 27.22 C ATOM 213 C PHE A 25 81.830 71.628 81.778 1.00 32.36 C ATOM 214 O PHE A 25 80.621 71.419 81.938 1.00 27.24 O ATOM 215 CB PHE A 25 81.231 72.681 79.566 1.00 28.05 C ATOM 216 CG PHE A 25 81.720 73.299 78.289 1.00 23.81 C ATOM 217 CD1 PHE A 25 82.766 74.204 78.305 1.00 27.91 C ATOM 218 CD2 PHE A 25 81.167 72.952 77.075 1.00 27.03 C ATOM 219 CE1 PHE A 25 83.233 74.769 77.134 1.00 28.69 C ATOM 220 CE2 PHE A 25 81.631 73.524 75.888 1.00 28.90 C ATOM 221 CZ PHE A 25 82.663 74.425 75.919 1.00 20.91 C ATOM 222 H PHE A 25 82.723 70.608 79.018 1.00 0.00 H ATOM 223 N ALA A 26 82.745 71.396 82.715 1.00 25.99 N ATOM 224 CA ALA A 26 82.384 70.833 84.013 1.00 30.93 C ATOM 225 C ALA A 26 81.494 71.778 84.803 1.00 33.04 C ATOM 226 O ALA A 26 80.704 71.342 85.650 1.00 30.60 O ATOM 227 CB ALA A 26 83.636 70.503 84.824 1.00 25.92 C ATOM 228 H ALA A 26 83.741 71.621 82.519 1.00 0.00 H ATOM 229 N ASP A 27 81.634 73.074 84.534 1.00 29.87 N ATOM 230 CA ASP A 27 80.822 74.057 85.221 1.00 28.68 C ATOM 231 C ASP A 27 79.346 73.936 84.826 1.00 32.48 C ATOM 232 O ASP A 27 78.468 74.272 85.620 1.00 38.21 O ATOM 233 CB ASP A 27 81.347 75.473 84.948 1.00 31.40 C ATOM 234 CG ASP A 27 81.365 75.832 83.454 1.00 37.03 C ATOM 235 OD1 ASP A 27 81.420 74.931 82.586 1.00 32.84 O ATOM 236 OD2 ASP A 27 81.330 77.036 83.145 1.00 48.61 O ATOM 237 H ASP A 27 82.331 73.383 83.826 1.00 0.00 H ATOM 238 N LYS A 28 79.067 73.430 83.624 1.00 31.25 N ATOM 239 CA LYS A 28 77.683 73.355 83.123 1.00 28.00 C ATOM 240 C LYS A 28 77.095 71.932 83.049 1.00 33.25 C ATOM 241 O LYS A 28 75.891 71.747 83.236 1.00 26.82 O ATOM 242 CB LYS A 28 77.601 74.009 81.748 1.00 28.50 C ATOM 243 CG LYS A 28 77.036 75.425 81.779 1.00 40.50 C ATOM 244 CD LYS A 28 78.059 76.447 81.320 1.00 50.32 C ATOM 245 CE LYS A 28 77.463 77.857 81.304 1.00 59.96 C ATOM 246 NZ LYS A 28 76.916 78.256 82.636 1.00 58.61 N ATOM 247 HZ1 LYS A 28 76.166 77.592 82.915 1.00 0.00 H ATOM 248 HZ2 LYS A 28 77.679 78.236 83.343 1.00 0.00 H ATOM 249 HZ3 LYS A 28 76.524 79.217 82.575 1.00 0.00 H ATOM 250 H LYS A 28 79.843 73.081 83.027 1.00 0.00 H ATOM 251 N VAL A 29 77.938 70.938 82.761 1.00 25.96 N ATOM 252 CA VAL A 29 77.534 69.533 82.779 1.00 25.14 C ATOM 253 C VAL A 29 78.564 68.672 83.518 1.00 24.28 C ATOM 254 O VAL A 29 79.291 67.881 82.906 1.00 24.28 O ATOM 255 CB VAL A 29 77.309 68.976 81.343 1.00 29.58 C ATOM 256 CG1 VAL A 29 75.906 69.269 80.871 1.00 29.57 C ATOM 257 CG2 VAL A 29 78.282 69.625 80.392 1.00 27.90 C ATOM 258 H VAL A 29 78.921 71.172 82.514 1.00 0.00 H ATOM 259 N PRO A 30 78.608 68.811 84.849 1.00 26.69 N ATOM 260 CA PRO A 30 79.712 68.214 85.606 1.00 23.29 C ATOM 261 C PRO A 30 79.745 66.700 85.470 1.00 24.01 C ATOM 262 O PRO A 30 80.823 66.135 85.308 1.00 30.32 O ATOM 263 CB PRO A 30 79.428 68.649 87.053 1.00 28.83 C ATOM 264 CG PRO A 30 77.955 69.051 87.062 1.00 29.10 C ATOM 265 CD PRO A 30 77.696 69.599 85.699 1.00 22.91 C ATOM 266 N LYS A 31 78.593 66.047 85.493 1.00 22.64 N ATOM 267 CA LYS A 31 78.590 64.592 85.427 1.00 26.17 C ATOM 268 C LYS A 31 79.052 64.079 84.065 1.00 24.91 C ATOM 269 O LYS A 31 79.786 63.089 83.977 1.00 26.61 O ATOM 270 CB LYS A 31 77.187 64.066 85.751 1.00 28.93 C ATOM 271 CG LYS A 31 77.051 62.559 85.824 1.00 24.96 C ATOM 272 CD LYS A 31 75.733 62.198 86.513 1.00 32.32 C ATOM 273 CE LYS A 31 75.591 60.698 86.711 1.00 29.80 C ATOM 274 NZ LYS A 31 74.473 60.411 87.658 1.00 39.13 N ATOM 275 HZ1 LYS A 31 74.673 60.860 88.575 1.00 0.00 H ATOM 276 HZ2 LYS A 31 73.586 60.791 87.270 1.00 0.00 H ATOM 277 HZ3 LYS A 31 74.384 59.383 87.786 1.00 0.00 H ATOM 278 H LYS A 31 77.696 66.570 85.558 1.00 0.00 H ATOM 279 N THR A 32 78.618 64.749 83.000 1.00 22.11 N ATOM 280 CA THR A 32 78.948 64.324 81.643 1.00 21.16 C ATOM 281 C THR A 32 80.426 64.609 81.353 1.00 23.52 C ATOM 282 O THR A 32 81.105 63.822 80.682 1.00 21.17 O ATOM 283 CB THR A 32 78.052 65.044 80.596 1.00 23.26 C ATOM 284 OG1 THR A 32 76.673 64.931 80.976 1.00 23.55 O ATOM 285 CG2 THR A 32 78.233 64.443 79.215 1.00 18.41 C ATOM 286 HG1 THR A 32 76.541 65.350 81.863 1.00 0.00 H ATOM 287 H THR A 32 78.030 65.595 83.138 1.00 0.00 H ATOM 288 N ALA A 33 80.908 65.742 81.865 1.00 21.91 N ATOM 289 CA ALA A 33 82.310 66.124 81.724 1.00 22.66 C ATOM 290 C ALA A 33 83.217 65.130 82.450 1.00 24.84 C ATOM 291 O ALA A 33 84.271 64.745 81.933 1.00 24.00 O ATOM 292 CB ALA A 33 82.541 67.548 82.261 1.00 18.33 C ATOM 293 H ALA A 33 80.264 66.374 82.382 1.00 0.00 H ATOM 294 N GLU A 34 82.792 64.720 83.645 1.00 21.80 N ATOM 295 CA GLU A 34 83.578 63.820 84.470 1.00 18.63 C ATOM 296 C GLU A 34 83.702 62.462 83.801 1.00 23.62 C ATOM 297 O GLU A 34 84.772 61.847 83.803 1.00 23.80 O ATOM 298 CB GLU A 34 82.960 63.696 85.867 1.00 22.91 C ATOM 299 CG GLU A 34 83.625 62.658 86.772 1.00 26.19 C ATOM 300 CD GLU A 34 85.096 62.984 87.121 1.00 34.69 C ATOM 301 OE1 GLU A 34 85.548 64.148 86.923 1.00 27.92 O ATOM 302 OE2 GLU A 34 85.809 62.051 87.579 1.00 31.38 O ATOM 303 H GLU A 34 81.872 65.054 83.996 1.00 0.00 H ATOM 304 N ASN A 35 82.612 61.996 83.207 1.00 20.50 N ATOM 305 CA ASN A 35 82.650 60.730 82.504 1.00 22.04 C ATOM 306 C ASN A 35 83.723 60.768 81.421 1.00 21.34 C ATOM 307 O ASN A 35 84.560 59.884 81.343 1.00 21.71 O ATOM 308 CB ASN A 35 81.273 60.403 81.902 1.00 19.82 C ATOM 309 CG ASN A 35 81.271 59.120 81.092 1.00 20.90 C ATOM 310 OD1 ASN A 35 81.563 58.043 81.608 1.00 24.75 O ATOM 311 ND2 ASN A 35 80.918 59.229 79.817 1.00 18.61 N ATOM 312 HD22 ASN A 35 80.679 60.161 79.421 1.00 0.00 H ATOM 313 HD21 ASN A 35 80.881 58.383 79.214 1.00 0.00 H ATOM 314 H ASN A 35 81.727 62.541 83.246 1.00 0.00 H ATOM 315 N PHE A 36 83.689 61.803 80.591 1.00 20.77 N ATOM 316 CA PHE A 36 84.621 61.912 79.480 1.00 20.50 C ATOM 317 C PHE A 36 86.056 62.108 80.003 1.00 21.09 C ATOM 318 O PHE A 36 87.000 61.519 79.471 1.00 19.88 O ATOM 319 CB PHE A 36 84.209 63.066 78.551 1.00 18.38 C ATOM 320 CG PHE A 36 85.012 63.159 77.277 1.00 16.70 C ATOM 321 CD1 PHE A 36 84.632 62.460 76.147 1.00 19.82 C ATOM 322 CD2 PHE A 36 86.151 63.962 77.208 1.00 21.06 C ATOM 323 CE1 PHE A 36 85.365 62.559 74.964 1.00 21.72 C ATOM 324 CE2 PHE A 36 86.887 64.061 76.023 1.00 19.48 C ATOM 325 CZ PHE A 36 86.486 63.359 74.905 1.00 20.88 C ATOM 326 H PHE A 36 82.982 62.551 80.738 1.00 0.00 H ATOM 327 N ARG A 37 86.211 62.916 81.046 1.00 21.19 N ATOM 328 CA ARG A 37 87.522 63.140 81.652 1.00 20.97 C ATOM 329 C ARG A 37 88.157 61.820 82.112 1.00 24.77 C ATOM 330 O ARG A 37 89.301 61.498 81.755 1.00 18.53 O ATOM 331 CB ARG A 37 87.407 64.104 82.841 1.00 17.94 C ATOM 332 CG ARG A 37 88.764 64.592 83.384 1.00 22.64 C ATOM 333 CD ARG A 37 88.659 65.103 84.829 1.00 17.99 C ATOM 334 NE ARG A 37 88.174 64.050 85.727 1.00 19.64 N ATOM 335 CZ ARG A 37 88.924 63.058 86.186 1.00 26.13 C ATOM 336 NH1 ARG A 37 90.210 62.973 85.840 1.00 19.64 N ATOM 337 NH2 ARG A 37 88.391 62.146 86.986 1.00 22.73 N ATOM 338 HE ARG A 37 87.178 64.084 86.023 1.00 0.00 H ATOM 339 HH12 ARG A 37 90.795 62.193 86.202 1.00 0.00 H ATOM 340 HH11 ARG A 37 90.627 63.686 85.208 1.00 0.00 H ATOM 341 HH22 ARG A 37 88.976 61.366 87.348 1.00 0.00 H ATOM 342 HH21 ARG A 37 87.388 62.210 87.252 1.00 0.00 H ATOM 343 H ARG A 37 85.380 63.401 81.441 1.00 0.00 H ATOM 344 N ALA A 38 87.394 61.051 82.885 1.00 21.38 N ATOM 345 CA ALA A 38 87.913 59.830 83.495 1.00 21.60 C ATOM 346 C ALA A 38 88.180 58.755 82.452 1.00 21.61 C ATOM 347 O ALA A 38 89.132 57.991 82.584 1.00 23.00 O ATOM 348 CB ALA A 38 86.944 59.316 84.556 1.00 21.19 C ATOM 349 H ALA A 38 86.406 61.326 83.059 1.00 0.00 H ATOM 350 N LEU A 39 87.355 58.699 81.409 1.00 19.57 N ATOM 351 CA LEU A 39 87.600 57.749 80.311 1.00 20.57 C ATOM 352 C LEU A 39 88.878 58.097 79.516 1.00 20.21 C ATOM 353 O LEU A 39 89.508 57.241 78.872 1.00 21.02 O ATOM 354 CB LEU A 39 86.387 57.704 79.379 1.00 21.85 C ATOM 355 CG LEU A 39 85.116 57.026 79.933 1.00 23.67 C ATOM 356 CD1 LEU A 39 83.920 57.267 79.025 1.00 17.11 C ATOM 357 CD2 LEU A 39 85.348 55.537 80.103 1.00 17.30 C ATOM 358 H LEU A 39 86.530 59.332 81.369 1.00 0.00 H ATOM 359 N SER A 40 89.263 59.360 79.581 1.00 20.62 N ATOM 360 CA SER A 40 90.439 59.838 78.877 1.00 22.38 C ATOM 361 C SER A 40 91.757 59.548 79.609 1.00 23.77 C ATOM 362 O SER A 40 92.800 59.492 78.975 1.00 27.81 O ATOM 363 CB SER A 40 90.305 61.343 78.626 1.00 20.63 C ATOM 364 OG SER A 40 89.299 61.593 77.655 1.00 22.58 O ATOM 365 HG SER A 40 88.433 61.241 77.980 1.00 0.00 H ATOM 366 H SER A 40 88.708 60.029 80.152 1.00 0.00 H ATOM 367 N THR A 41 91.710 59.361 80.928 1.00 21.67 N ATOM 368 CA THR A 41 92.921 59.122 81.701 1.00 21.56 C ATOM 369 C THR A 41 93.163 57.635 81.930 1.00 24.26 C ATOM 370 O THR A 41 94.289 57.216 82.185 1.00 31.18 O ATOM 371 CB THR A 41 92.876 59.837 83.069 1.00 20.20 C ATOM 372 OG1 THR A 41 91.919 59.190 83.921 1.00 24.24 O ATOM 373 CG2 THR A 41 92.489 61.319 82.892 1.00 16.16 C ATOM 374 HG1 THR A 41 91.893 59.651 84.797 1.00 0.00 H ATOM 375 H THR A 41 90.791 59.386 81.414 1.00 0.00 H ATOM 376 N GLY A 42 92.106 56.837 81.822 1.00 23.16 N ATOM 377 CA GLY A 42 92.182 55.413 82.093 1.00 22.12 C ATOM 378 C GLY A 42 92.060 55.099 83.579 1.00 25.69 C ATOM 379 O GLY A 42 92.321 53.968 83.996 1.00 23.72 O ATOM 380 H GLY A 42 91.194 57.246 81.534 1.00 0.00 H ATOM 381 N GLU A 43 91.683 56.089 84.391 1.00 19.63 N ATOM 382 CA GLU A 43 91.726 55.907 85.851 1.00 21.82 C ATOM 383 C GLU A 43 90.608 55.008 86.388 1.00 25.17 C ATOM 384 O GLU A 43 90.570 54.714 87.585 1.00 24.08 O ATOM 385 CB GLU A 43 91.666 57.265 86.556 1.00 21.64 C ATOM 386 CG GLU A 43 90.297 57.950 86.426 1.00 22.61 C ATOM 387 CD GLU A 43 90.323 59.395 86.878 1.00 28.46 C ATOM 388 OE1 GLU A 43 91.078 60.195 86.273 1.00 32.28 O ATOM 389 OE2 GLU A 43 89.576 59.743 87.815 1.00 30.94 O ATOM 390 H GLU A 43 91.358 56.992 83.991 1.00 0.00 H ATOM 391 N LYS A 44 89.687 54.595 85.518 1.00 24.40 N ATOM 392 CA LYS A 44 88.614 53.679 85.929 1.00 27.25 C ATOM 393 C LYS A 44 88.891 52.281 85.416 1.00 25.58 C ATOM 394 O LYS A 44 88.073 51.396 85.607 1.00 26.09 O ATOM 395 CB LYS A 44 87.238 54.137 85.431 1.00 26.58 C ATOM 396 CG LYS A 44 86.748 55.453 86.016 1.00 26.09 C ATOM 397 CD LYS A 44 86.559 55.339 87.512 1.00 29.59 C ATOM 398 CE LYS A 44 86.068 56.664 88.067 1.00 43.85 C ATOM 399 NZ LYS A 44 86.066 56.668 89.548 1.00 51.98 N ATOM 400 HZ1 LYS A 44 85.439 55.914 89.895 1.00 0.00 H ATOM 401 HZ2 LYS A 44 87.033 56.504 89.895 1.00 0.00 H ATOM 402 HZ3 LYS A 44 85.725 57.589 89.891 1.00 0.00 H ATOM 403 H LYS A 44 89.728 54.926 84.533 1.00 0.00 H ATOM 404 N GLY A 45 90.044 52.078 84.774 1.00 21.96 N ATOM 405 CA GLY A 45 90.417 50.750 84.309 1.00 25.21 C ATOM 406 C GLY A 45 89.888 50.362 82.931 1.00 23.67 C ATOM 407 O GLY A 45 89.918 49.195 82.550 1.00 28.84 O ATOM 408 H GLY A 45 90.684 52.880 84.604 1.00 0.00 H ATOM 409 N PHE A 46 89.376 51.340 82.197 1.00 25.02 N ATOM 410 CA PHE A 46 88.965 51.177 80.793 1.00 27.12 C ATOM 411 C PHE A 46 88.850 52.581 80.238 1.00 28.56 C ATOM 412 O PHE A 46 88.810 53.542 81.005 1.00 23.65 O ATOM 413 CB PHE A 46 87.637 50.409 80.650 1.00 23.99 C ATOM 414 CG PHE A 46 86.554 50.877 81.586 1.00 27.74 C ATOM 415 CD1 PHE A 46 86.305 50.200 82.774 1.00 29.80 C ATOM 416 CD2 PHE A 46 85.778 51.991 81.284 1.00 22.20 C ATOM 417 CE1 PHE A 46 85.305 50.640 83.662 1.00 27.13 C ATOM 418 CE2 PHE A 46 84.777 52.422 82.155 1.00 26.58 C ATOM 419 CZ PHE A 46 84.541 51.749 83.342 1.00 26.22 C ATOM 420 H PHE A 46 89.258 52.275 82.638 1.00 0.00 H ATOM 421 N GLY A 47 88.815 52.729 78.922 1.00 23.28 N ATOM 422 CA GLY A 47 88.690 54.069 78.394 1.00 23.36 C ATOM 423 C GLY A 47 89.057 54.180 76.940 1.00 20.72 C ATOM 424 O GLY A 47 89.194 53.190 76.246 1.00 26.25 O ATOM 425 H GLY A 47 88.876 51.907 78.288 1.00 0.00 H ATOM 426 N TYR A 48 89.231 55.413 76.494 1.00 22.24 N ATOM 427 CA TYR A 48 89.335 55.733 75.069 1.00 21.94 C ATOM 428 C TYR A 48 90.625 55.287 74.383 1.00 25.03 C ATOM 429 O TYR A 48 90.634 55.030 73.171 1.00 24.97 O ATOM 430 CB TYR A 48 89.178 57.239 74.901 1.00 16.93 C ATOM 431 CG TYR A 48 87.792 57.734 75.204 1.00 19.97 C ATOM 432 CD1 TYR A 48 86.654 57.049 74.755 1.00 20.59 C ATOM 433 CD2 TYR A 48 87.607 58.889 75.940 1.00 16.68 C ATOM 434 CE1 TYR A 48 85.360 57.540 75.028 1.00 15.33 C ATOM 435 CE2 TYR A 48 86.346 59.375 76.213 1.00 20.25 C ATOM 436 CZ TYR A 48 85.223 58.703 75.761 1.00 19.81 C ATOM 437 OH TYR A 48 83.986 59.231 76.070 1.00 19.50 O ATOM 438 HH TYR A 48 83.278 58.655 75.688 1.00 0.00 H ATOM 439 H TYR A 48 89.297 56.188 77.185 1.00 0.00 H ATOM 440 N LYS A 49 91.715 55.205 75.147 1.00 26.40 N ATOM 441 CA LYS A 49 93.017 54.911 74.550 1.00 24.90 C ATOM 442 C LYS A 49 93.005 53.643 73.720 1.00 24.34 C ATOM 443 O LYS A 49 92.628 52.580 74.215 1.00 27.22 O ATOM 444 CB LYS A 49 94.088 54.787 75.621 1.00 26.34 C ATOM 445 CG LYS A 49 95.486 54.615 75.045 1.00 24.95 C ATOM 446 CD LYS A 49 96.495 54.652 76.168 1.00 32.01 C ATOM 447 CE LYS A 49 97.858 54.203 75.729 1.00 35.27 C ATOM 448 NZ LYS A 49 98.741 54.177 76.924 1.00 46.54 N ATOM 449 HZ1 LYS A 49 98.792 55.130 77.337 1.00 0.00 H ATOM 450 HZ2 LYS A 49 98.353 53.515 77.626 1.00 0.00 H ATOM 451 HZ3 LYS A 49 99.693 53.868 76.643 1.00 0.00 H ATOM 452 H LYS A 49 91.638 55.351 76.174 1.00 0.00 H ATOM 453 N GLY A 50 93.431 53.753 72.461 1.00 24.61 N ATOM 454 CA GLY A 50 93.501 52.599 71.581 1.00 23.39 C ATOM 455 C GLY A 50 92.272 52.450 70.679 1.00 30.35 C ATOM 456 O GLY A 50 92.307 51.706 69.696 1.00 30.17 O ATOM 457 H GLY A 50 93.719 54.685 72.101 1.00 0.00 H ATOM 458 N SER A 51 91.191 53.159 71.007 1.00 22.01 N ATOM 459 CA SER A 51 89.941 52.995 70.272 1.00 29.61 C ATOM 460 C SER A 51 89.991 53.851 69.015 1.00 30.94 C ATOM 461 O SER A 51 90.868 54.691 68.874 1.00 27.36 O ATOM 462 CB SER A 51 88.732 53.354 71.145 1.00 21.61 C ATOM 463 OG SER A 51 88.678 54.744 71.430 1.00 24.88 O ATOM 464 HG SER A 51 89.500 55.013 71.912 1.00 0.00 H ATOM 465 H SER A 51 91.239 53.836 71.795 1.00 0.00 H ATOM 466 N CYS A 52 89.068 53.625 68.088 1.00 29.92 N ATOM 467 CA CYS A 52 89.109 54.366 66.838 1.00 26.95 C ATOM 468 C CYS A 52 87.905 55.293 66.718 1.00 29.18 C ATOM 469 O CYS A 52 86.969 55.191 67.518 1.00 29.07 O ATOM 470 CB CYS A 52 89.170 53.400 65.652 1.00 37.02 C ATOM 471 SG CYS A 52 87.629 52.481 65.380 1.00 46.63 S ATOM 472 H CYS A 52 88.320 52.922 68.255 1.00 0.00 H ATOM 473 N PHE A 53 87.968 56.226 65.761 1.00 28.68 N ATOM 474 CA PHE A 53 86.796 56.957 65.266 1.00 27.46 C ATOM 475 C PHE A 53 86.147 56.104 64.176 1.00 30.51 C ATOM 476 O PHE A 53 86.696 55.975 63.075 1.00 30.93 O ATOM 477 CB PHE A 53 87.181 58.337 64.722 1.00 22.36 C ATOM 478 CG PHE A 53 87.417 59.362 65.797 1.00 26.95 C ATOM 479 CD1 PHE A 53 88.631 59.401 66.491 1.00 26.60 C ATOM 480 CD2 PHE A 53 86.426 60.280 66.131 1.00 23.66 C ATOM 481 CE1 PHE A 53 88.841 60.333 67.502 1.00 19.15 C ATOM 482 CE2 PHE A 53 86.632 61.223 67.136 1.00 23.87 C ATOM 483 CZ PHE A 53 87.846 61.244 67.821 1.00 24.27 C ATOM 484 H PHE A 53 88.896 56.445 65.346 1.00 0.00 H ATOM 485 N HIS A 54 85.010 55.490 64.495 1.00 26.17 N ATOM 486 CA HIS A 54 84.404 54.525 63.585 1.00 30.97 C ATOM 487 C HIS A 54 83.549 55.179 62.507 1.00 28.58 C ATOM 488 O HIS A 54 83.315 54.569 61.474 1.00 29.06 O ATOM 489 CB HIS A 54 83.573 53.496 64.352 1.00 26.72 C ATOM 490 CG HIS A 54 82.502 54.086 65.227 1.00 32.16 C ATOM 491 ND1 HIS A 54 82.769 54.604 66.477 1.00 24.38 N ATOM 492 CD2 HIS A 54 81.161 54.190 65.053 1.00 21.84 C ATOM 493 CE1 HIS A 54 81.639 55.021 67.028 1.00 29.25 C ATOM 494 NE2 HIS A 54 80.648 54.774 66.190 1.00 24.43 N ATOM 495 H HIS A 54 84.549 55.701 65.403 1.00 0.00 H ATOM 496 N ARG A 55 83.106 56.417 62.725 1.00 25.08 N ATOM 497 CA ARG A 55 82.253 57.071 61.740 1.00 29.76 C ATOM 498 C ARG A 55 82.620 58.526 61.588 1.00 26.32 C ATOM 499 O ARG A 55 82.489 59.308 62.532 1.00 26.03 O ATOM 500 CB ARG A 55 80.762 56.955 62.123 1.00 28.70 C ATOM 501 CG ARG A 55 79.807 57.423 61.014 1.00 37.35 C ATOM 502 CD ARG A 55 78.305 57.225 61.368 1.00 33.32 C ATOM 503 NE ARG A 55 78.004 55.844 61.748 1.00 33.04 N ATOM 504 CZ ARG A 55 77.603 55.485 62.962 1.00 29.51 C ATOM 505 NH1 ARG A 55 77.452 56.402 63.901 1.00 32.92 N ATOM 506 NH2 ARG A 55 77.357 54.215 63.242 1.00 35.73 N ATOM 507 HE ARG A 55 78.110 55.102 61.027 1.00 0.00 H ATOM 508 HH12 ARG A 55 77.138 56.125 64.853 1.00 0.00 H ATOM 509 HH11 ARG A 55 77.647 57.401 63.688 1.00 0.00 H ATOM 510 HH22 ARG A 55 77.043 53.944 64.196 1.00 0.00 H ATOM 511 HH21 ARG A 55 77.477 53.488 62.508 1.00 0.00 H ATOM 512 H ARG A 55 83.369 56.917 63.598 1.00 0.00 H ATOM 513 N ILE A 56 83.053 58.886 60.385 1.00 27.81 N ATOM 514 CA ILE A 56 83.467 60.248 60.071 1.00 31.70 C ATOM 515 C ILE A 56 82.736 60.751 58.834 1.00 32.90 C ATOM 516 O ILE A 56 82.886 60.197 57.748 1.00 30.75 O ATOM 517 CB ILE A 56 84.991 60.330 59.825 1.00 27.24 C ATOM 518 CG1 ILE A 56 85.744 59.954 61.105 1.00 30.38 C ATOM 519 CG2 ILE A 56 85.379 61.729 59.348 1.00 28.27 C ATOM 520 CD1 ILE A 56 87.262 59.904 60.962 1.00 22.33 C ATOM 521 H ILE A 56 83.099 58.166 59.636 1.00 0.00 H ATOM 522 N ILE A 57 81.951 61.802 58.994 1.00 30.65 N ATOM 523 CA ILE A 57 81.201 62.330 57.875 1.00 31.43 C ATOM 524 C ILE A 57 81.617 63.769 57.615 1.00 29.98 C ATOM 525 O ILE A 57 81.225 64.683 58.351 1.00 29.96 O ATOM 526 CB ILE A 57 79.684 62.238 58.123 1.00 34.48 C ATOM 527 CG1 ILE A 57 79.269 60.776 58.350 1.00 32.74 C ATOM 528 CG2 ILE A 57 78.900 62.859 56.951 1.00 34.87 C ATOM 529 CD1 ILE A 57 77.740 60.573 58.636 1.00 29.48 C ATOM 530 H ILE A 57 81.872 62.252 59.928 1.00 0.00 H ATOM 531 N PRO A 58 82.429 63.973 56.565 1.00 34.94 N ATOM 532 CA PRO A 58 82.975 65.299 56.265 1.00 34.97 C ATOM 533 C PRO A 58 81.870 66.333 56.213 1.00 34.68 C ATOM 534 O PRO A 58 80.841 66.091 55.585 1.00 39.30 O ATOM 535 CB PRO A 58 83.621 65.107 54.894 1.00 31.63 C ATOM 536 CG PRO A 58 83.965 63.653 54.844 1.00 31.40 C ATOM 537 CD PRO A 58 82.864 62.960 55.585 1.00 31.29 C ATOM 538 N GLY A 59 82.064 67.448 56.903 1.00 31.40 N ATOM 539 CA GLY A 59 81.066 68.497 56.959 1.00 30.68 C ATOM 540 C GLY A 59 80.050 68.315 58.068 1.00 33.82 C ATOM 541 O GLY A 59 79.279 69.224 58.382 1.00 41.79 O ATOM 542 H GLY A 59 82.958 67.574 57.419 1.00 0.00 H ATOM 543 N PHE A 60 80.039 67.138 58.676 1.00 37.65 N ATOM 544 CA PHE A 60 79.050 66.857 59.706 1.00 34.17 C ATOM 545 C PHE A 60 79.744 66.625 61.048 1.00 34.95 C ATOM 546 O PHE A 60 79.688 67.483 61.927 1.00 28.95 O ATOM 547 CB PHE A 60 78.193 65.654 59.282 1.00 32.83 C ATOM 548 CG PHE A 60 77.102 65.283 60.258 1.00 26.90 C ATOM 549 CD1 PHE A 60 76.748 66.117 61.299 1.00 31.14 C ATOM 550 CD2 PHE A 60 76.444 64.067 60.130 1.00 32.75 C ATOM 551 CE1 PHE A 60 75.754 65.748 62.198 1.00 32.99 C ATOM 552 CE2 PHE A 60 75.454 63.695 61.016 1.00 30.02 C ATOM 553 CZ PHE A 60 75.110 64.534 62.052 1.00 30.64 C ATOM 554 H PHE A 60 80.739 66.413 58.417 1.00 0.00 H ATOM 555 N MET A 61 80.385 65.470 61.201 1.00 27.49 N ATOM 556 CA MET A 61 80.991 65.132 62.468 1.00 26.34 C ATOM 557 C MET A 61 81.946 63.949 62.371 1.00 24.88 C ATOM 558 O MET A 61 81.946 63.188 61.384 1.00 25.11 O ATOM 559 CB MET A 61 79.935 64.753 63.467 1.00 31.91 C ATOM 560 CG MET A 61 79.761 63.260 63.319 1.00 34.87 C ATOM 561 SD MET A 61 78.185 62.707 63.607 1.00 75.75 S ATOM 562 CE MET A 61 78.630 61.552 64.847 1.00 60.55 C ATOM 563 H MET A 61 80.450 64.806 60.403 1.00 0.00 H ATOM 564 N CYS A 62 82.700 63.771 63.453 1.00 24.03 N ATOM 565 CA CYS A 62 83.559 62.615 63.684 1.00 25.67 C ATOM 566 C CYS A 62 83.115 61.924 64.961 1.00 24.73 C ATOM 567 O CYS A 62 83.032 62.556 66.019 1.00 21.99 O ATOM 568 CB CYS A 62 85.026 63.042 63.833 1.00 28.02 C ATOM 569 SG CYS A 62 85.715 63.878 62.400 1.00 34.05 S ATOM 570 H CYS A 62 82.675 64.508 64.186 1.00 0.00 H ATOM 571 N GLN A 63 82.839 60.635 64.870 1.00 22.86 N ATOM 572 CA GLN A 63 82.323 59.907 66.009 1.00 24.05 C ATOM 573 C GLN A 63 83.254 58.781 66.433 1.00 23.86 C ATOM 574 O GLN A 63 83.729 58.020 65.597 1.00 19.08 O ATOM 575 CB GLN A 63 80.952 59.334 65.686 1.00 23.62 C ATOM 576 CG GLN A 63 80.283 58.527 66.805 1.00 25.97 C ATOM 577 CD GLN A 63 78.838 58.131 66.427 1.00 35.44 C ATOM 578 OE1 GLN A 63 78.297 58.588 65.412 1.00 32.68 O ATOM 579 NE2 GLN A 63 78.221 57.291 67.241 1.00 22.45 N ATOM 580 HE22 GLN A 63 78.711 56.930 68.084 1.00 0.00 H ATOM 581 HE21 GLN A 63 77.246 56.992 67.038 1.00 0.00 H ATOM 582 H GLN A 63 82.994 60.138 63.970 1.00 0.00 H ATOM 583 N GLY A 64 83.483 58.664 67.738 1.00 20.85 N ATOM 584 CA GLY A 64 84.176 57.503 68.269 1.00 20.90 C ATOM 585 C GLY A 64 83.730 57.150 69.671 1.00 20.81 C ATOM 586 O GLY A 64 82.614 57.485 70.104 1.00 22.43 O ATOM 587 H GLY A 64 83.162 59.412 68.385 1.00 0.00 H ATOM 588 N GLY A 65 84.601 56.444 70.382 1.00 21.05 N ATOM 589 CA GLY A 65 84.368 56.155 71.781 1.00 20.50 C ATOM 590 C GLY A 65 83.954 54.730 72.073 1.00 24.50 C ATOM 591 O GLY A 65 83.676 54.419 73.227 1.00 21.04 O ATOM 592 H GLY A 65 85.467 56.092 69.925 1.00 0.00 H ATOM 593 N ASP A 66 83.901 53.861 71.060 1.00 21.29 N ATOM 594 CA ASP A 66 83.553 52.466 71.340 1.00 22.14 C ATOM 595 C ASP A 66 84.791 51.634 71.665 1.00 24.52 C ATOM 596 O ASP A 66 85.431 51.080 70.767 1.00 26.29 O ATOM 597 CB ASP A 66 82.809 51.839 70.169 1.00 25.07 C ATOM 598 CG ASP A 66 82.487 50.371 70.412 1.00 34.96 C ATOM 599 OD1 ASP A 66 82.709 49.899 71.552 1.00 27.47 O ATOM 600 OD2 ASP A 66 82.013 49.689 69.478 1.00 31.25 O ATOM 601 H ASP A 66 84.104 54.170 70.088 1.00 0.00 H ATOM 602 N PHE A 67 85.121 51.531 72.945 1.00 23.68 N ATOM 603 CA PHE A 67 86.298 50.754 73.343 1.00 29.59 C ATOM 604 C PHE A 67 85.951 49.357 73.876 1.00 30.51 C ATOM 605 O PHE A 67 86.845 48.620 74.271 1.00 30.78 O ATOM 606 CB PHE A 67 87.117 51.511 74.400 1.00 27.68 C ATOM 607 CG PHE A 67 86.310 51.945 75.582 1.00 25.85 C ATOM 608 CD1 PHE A 67 85.940 51.037 76.570 1.00 27.49 C ATOM 609 CD2 PHE A 67 85.899 53.266 75.701 1.00 25.99 C ATOM 610 CE1 PHE A 67 85.162 51.443 77.656 1.00 23.88 C ATOM 611 CE2 PHE A 67 85.133 53.673 76.781 1.00 21.22 C ATOM 612 CZ PHE A 67 84.763 52.764 77.757 1.00 22.80 C ATOM 613 H PHE A 67 84.543 52.003 73.669 1.00 0.00 H ATOM 614 N THR A 68 84.669 48.997 73.919 1.00 26.70 N ATOM 615 CA THR A 68 84.305 47.661 74.383 1.00 27.32 C ATOM 616 C THR A 68 84.137 46.660 73.242 1.00 32.08 C ATOM 617 O THR A 68 84.583 45.526 73.357 1.00 43.37 O ATOM 618 CB THR A 68 83.030 47.677 75.199 1.00 27.62 C ATOM 619 OG1 THR A 68 81.924 47.998 74.344 1.00 36.74 O ATOM 620 CG2 THR A 68 83.136 48.685 76.339 1.00 29.24 C ATOM 621 HG1 THR A 68 81.089 48.009 74.876 1.00 0.00 H ATOM 622 H THR A 68 83.929 49.666 73.623 1.00 0.00 H ATOM 623 N ARG A 69 83.513 47.063 72.139 1.00 35.20 N ATOM 624 CA ARG A 69 83.288 46.126 71.033 1.00 30.62 C ATOM 625 C ARG A 69 84.077 46.500 69.790 1.00 31.18 C ATOM 626 O ARG A 69 84.295 45.668 68.908 1.00 39.98 O ATOM 627 CB ARG A 69 81.800 46.043 70.701 1.00 33.66 C ATOM 628 CG ARG A 69 80.976 45.523 71.854 1.00 37.22 C ATOM 629 CD ARG A 69 79.519 45.406 71.497 1.00 41.53 C ATOM 630 NE ARG A 69 78.714 45.136 72.683 1.00 58.03 N ATOM 631 CZ ARG A 69 77.420 45.428 72.793 1.00 61.44 C ATOM 632 NH1 ARG A 69 76.778 46.002 71.781 1.00 55.01 N ATOM 633 NH2 ARG A 69 76.767 45.153 73.919 1.00 64.20 N ATOM 634 HE ARG A 69 79.182 44.686 73.496 1.00 0.00 H ATOM 635 HH12 ARG A 69 75.767 46.229 71.869 1.00 0.00 H ATOM 636 HH11 ARG A 69 77.287 46.224 70.901 1.00 0.00 H ATOM 637 HH22 ARG A 69 75.756 45.382 74.003 1.00 0.00 H ATOM 638 HH21 ARG A 69 77.268 44.709 74.715 1.00 0.00 H ATOM 639 H ARG A 69 83.183 48.046 72.060 1.00 0.00 H ATOM 640 N HIS A 70 84.511 47.752 69.727 1.00 33.83 N ATOM 641 CA HIS A 70 85.232 48.267 68.573 1.00 32.32 C ATOM 642 C HIS A 70 84.491 48.053 67.257 1.00 38.03 C ATOM 643 O HIS A 70 85.116 47.837 66.229 1.00 35.10 O ATOM 644 CB HIS A 70 86.613 47.623 68.484 1.00 38.46 C ATOM 645 CG HIS A 70 87.445 47.839 69.704 1.00 39.50 C ATOM 646 ND1 HIS A 70 88.165 48.996 69.917 1.00 37.86 N ATOM 647 CD2 HIS A 70 87.651 47.055 70.792 1.00 31.57 C ATOM 648 CE1 HIS A 70 88.786 48.914 71.082 1.00 42.36 C ATOM 649 NE2 HIS A 70 88.491 47.747 71.629 1.00 48.43 N ATOM 650 H HIS A 70 84.330 48.387 70.530 1.00 0.00 H ATOM 651 N ASN A 71 83.162 48.104 67.277 1.00 35.52 N ATOM 652 CA ASN A 71 82.432 48.000 66.015 1.00 34.34 C ATOM 653 C ASN A 71 81.367 49.067 65.897 1.00 31.55 C ATOM 654 O ASN A 71 80.462 48.946 65.090 1.00 34.73 O ATOM 655 CB ASN A 71 81.804 46.613 65.863 1.00 27.02 C ATOM 656 CG ASN A 71 80.794 46.303 66.948 1.00 34.49 C ATOM 657 OD1 ASN A 71 80.326 47.191 67.669 1.00 33.39 O ATOM 658 ND2 ASN A 71 80.442 45.030 67.066 1.00 38.01 N ATOM 659 HD22 ASN A 71 80.861 44.314 66.438 1.00 0.00 H ATOM 660 HD21 ASN A 71 79.747 44.747 67.786 1.00 0.00 H ATOM 661 H ASN A 71 82.651 48.216 68.176 1.00 0.00 H ATOM 662 N GLY A 72 81.457 50.098 66.728 1.00 29.79 N ATOM 663 CA GLY A 72 80.491 51.184 66.692 1.00 28.64 C ATOM 664 C GLY A 72 79.195 50.962 67.464 1.00 26.83 C ATOM 665 O GLY A 72 78.365 51.873 67.558 1.00 30.82 O ATOM 666 H GLY A 72 82.234 50.130 67.419 1.00 0.00 H ATOM 667 N THR A 73 79.006 49.770 68.019 1.00 23.08 N ATOM 668 CA THR A 73 77.802 49.485 68.802 1.00 24.50 C ATOM 669 C THR A 73 78.023 49.540 70.310 1.00 33.10 C ATOM 670 O THR A 73 77.056 49.505 71.087 1.00 31.61 O ATOM 671 CB THR A 73 77.236 48.092 68.476 1.00 27.90 C ATOM 672 OG1 THR A 73 78.127 47.097 68.986 1.00 28.45 O ATOM 673 CG2 THR A 73 77.078 47.898 66.974 1.00 21.87 C ATOM 674 HG1 THR A 73 79.016 47.204 68.564 1.00 0.00 H ATOM 675 H THR A 73 79.724 49.028 67.895 1.00 0.00 H ATOM 676 N GLY A 74 79.282 49.636 70.736 1.00 26.41 N ATOM 677 CA GLY A 74 79.584 49.463 72.151 1.00 26.58 C ATOM 678 C GLY A 74 79.945 50.698 72.958 1.00 28.79 C ATOM 679 O GLY A 74 79.533 51.825 72.642 1.00 26.82 O ATOM 680 H GLY A 74 80.047 49.834 70.060 1.00 0.00 H ATOM 681 N GLY A 75 80.726 50.472 74.014 1.00 34.05 N ATOM 682 CA GLY A 75 81.118 51.516 74.945 1.00 31.35 C ATOM 683 C GLY A 75 80.286 51.502 76.221 1.00 32.85 C ATOM 684 O GLY A 75 79.205 50.919 76.264 1.00 33.30 O ATOM 685 H GLY A 75 81.070 49.505 74.179 1.00 0.00 H ATOM 686 N LYS A 76 80.799 52.150 77.263 1.00 28.92 N ATOM 687 CA LYS A 76 80.093 52.252 78.532 1.00 25.66 C ATOM 688 C LYS A 76 80.597 53.460 79.292 1.00 23.62 C ATOM 689 O LYS A 76 81.702 53.954 79.035 1.00 24.29 O ATOM 690 CB LYS A 76 80.281 50.975 79.376 1.00 33.30 C ATOM 691 CG LYS A 76 81.736 50.653 79.719 1.00 29.11 C ATOM 692 CD LYS A 76 81.835 49.392 80.587 1.00 31.28 C ATOM 693 CE LYS A 76 83.287 49.027 80.870 1.00 32.16 C ATOM 694 NZ LYS A 76 83.448 47.875 81.821 1.00 44.17 N ATOM 695 HZ1 LYS A 76 83.006 48.114 82.731 1.00 0.00 H ATOM 696 HZ2 LYS A 76 82.989 47.031 81.422 1.00 0.00 H ATOM 697 HZ3 LYS A 76 84.460 47.685 81.965 1.00 0.00 H ATOM 698 H LYS A 76 81.733 52.597 77.168 1.00 0.00 H ATOM 699 N SER A 77 79.785 53.948 80.216 1.00 22.76 N ATOM 700 CA SER A 77 80.175 55.067 81.039 1.00 24.61 C ATOM 701 C SER A 77 80.898 54.592 82.303 1.00 26.14 C ATOM 702 O SER A 77 81.016 53.404 82.545 1.00 30.57 O ATOM 703 CB SER A 77 78.960 55.897 81.427 1.00 23.16 C ATOM 704 OG SER A 77 78.287 55.289 82.510 1.00 31.31 O ATOM 705 HG SER A 77 77.992 54.382 82.246 1.00 0.00 H ATOM 706 H SER A 77 78.848 53.517 80.351 1.00 0.00 H ATOM 707 N ILE A 78 81.383 55.534 83.105 1.00 26.46 N ATOM 708 CA ILE A 78 81.961 55.196 84.400 1.00 29.39 C ATOM 709 C ILE A 78 80.876 54.989 85.466 1.00 32.53 C ATOM 710 O ILE A 78 81.178 54.638 86.592 1.00 37.90 O ATOM 711 CB ILE A 78 82.928 56.296 84.891 1.00 27.96 C ATOM 712 CG1 ILE A 78 82.172 57.606 85.152 1.00 22.86 C ATOM 713 CG2 ILE A 78 84.069 56.502 83.896 1.00 24.82 C ATOM 714 CD1 ILE A 78 83.068 58.720 85.729 1.00 26.69 C ATOM 715 H ILE A 78 81.350 56.529 82.804 1.00 0.00 H ATOM 716 N TYR A 79 79.616 55.221 85.112 1.00 32.10 N ATOM 717 CA TYR A 79 78.547 55.169 86.096 1.00 37.39 C ATOM 718 C TYR A 79 77.725 53.874 86.036 1.00 39.61 C ATOM 719 O TYR A 79 76.703 53.749 86.720 1.00 51.13 O ATOM 720 CB TYR A 79 77.617 56.373 85.921 1.00 32.47 C ATOM 721 CG TYR A 79 78.312 57.719 85.930 1.00 37.30 C ATOM 722 CD1 TYR A 79 78.925 58.195 87.080 1.00 26.95 C ATOM 723 CD2 TYR A 79 78.344 58.522 84.787 1.00 26.69 C ATOM 724 CE1 TYR A 79 79.549 59.427 87.103 1.00 29.14 C ATOM 725 CE2 TYR A 79 78.971 59.772 84.801 1.00 28.39 C ATOM 726 CZ TYR A 79 79.574 60.213 85.959 1.00 28.90 C ATOM 727 OH TYR A 79 80.200 61.434 85.991 1.00 25.29 O ATOM 728 HH TYR A 79 79.545 62.145 85.779 1.00 0.00 H ATOM 729 H TYR A 79 79.392 55.442 84.121 1.00 0.00 H ATOM 730 N GLY A 80 78.179 52.910 85.242 1.00 43.62 N ATOM 731 CA GLY A 80 77.328 51.805 84.824 1.00 44.03 C ATOM 732 C GLY A 80 77.136 51.897 83.323 1.00 57.82 C ATOM 733 O GLY A 80 77.860 52.641 82.641 1.00 53.27 O ATOM 734 H GLY A 80 79.165 52.946 84.912 1.00 0.00 H ATOM 735 N GLU A 81 76.160 51.179 82.785 1.00 62.34 N ATOM 736 CA GLU A 81 76.071 51.042 81.328 1.00 62.06 C ATOM 737 C GLU A 81 75.542 52.304 80.615 1.00 61.97 C ATOM 738 O GLU A 81 76.009 52.621 79.523 1.00 46.45 O ATOM 739 CB GLU A 81 75.215 49.799 80.973 1.00 63.08 C ATOM 740 CG GLU A 81 73.697 49.992 81.097 1.00 67.52 C ATOM 741 CD GLU A 81 72.907 49.087 80.173 1.00 77.76 C ATOM 742 OE1 GLU A 81 73.528 48.216 79.517 1.00 85.57 O ATOM 743 OE2 GLU A 81 71.665 49.247 80.108 1.00 78.69 O ATOM 744 H GLU A 81 75.458 50.714 83.396 1.00 0.00 H ATOM 745 N LYS A 82 74.599 53.025 81.233 1.00 39.53 N ATOM 746 CA LYS A 82 73.988 54.234 80.638 1.00 33.57 C ATOM 747 C LYS A 82 73.686 55.256 81.704 1.00 32.77 C ATOM 748 O LYS A 82 73.291 54.907 82.803 1.00 40.90 O ATOM 749 CB LYS A 82 72.684 53.931 79.901 1.00 40.96 C ATOM 750 CG LYS A 82 72.758 52.996 78.713 1.00 48.88 C ATOM 751 CD LYS A 82 71.565 52.027 78.665 1.00 64.58 C ATOM 752 CE LYS A 82 70.396 52.447 79.575 1.00 55.65 C ATOM 753 NZ LYS A 82 69.149 51.705 79.208 1.00 68.15 N ATOM 754 HZ1 LYS A 82 68.900 51.915 78.220 1.00 0.00 H ATOM 755 HZ2 LYS A 82 69.310 50.683 79.316 1.00 0.00 H ATOM 756 HZ3 LYS A 82 68.373 52.003 79.833 1.00 0.00 H ATOM 757 H LYS A 82 74.281 52.721 82.175 1.00 0.00 H ATOM 758 N PHE A 83 73.882 56.524 81.409 1.00 23.33 N ATOM 759 CA PHE A 83 73.419 57.503 82.352 1.00 24.63 C ATOM 760 C PHE A 83 72.568 58.549 81.655 1.00 24.59 C ATOM 761 O PHE A 83 72.457 58.565 80.432 1.00 24.04 O ATOM 762 CB PHE A 83 74.578 58.140 83.124 1.00 26.22 C ATOM 763 CG PHE A 83 75.549 58.934 82.282 1.00 25.23 C ATOM 764 CD1 PHE A 83 76.509 58.294 81.510 1.00 22.29 C ATOM 765 CD2 PHE A 83 75.550 60.313 82.332 1.00 20.85 C ATOM 766 CE1 PHE A 83 77.438 59.014 80.785 1.00 22.88 C ATOM 767 CE2 PHE A 83 76.474 61.054 81.597 1.00 25.80 C ATOM 768 CZ PHE A 83 77.417 60.401 80.820 1.00 22.79 C ATOM 769 H PHE A 83 74.354 56.806 80.526 1.00 0.00 H ATOM 770 N GLU A 84 71.946 59.385 82.467 1.00 24.00 N ATOM 771 CA GLU A 84 70.920 60.313 82.031 1.00 28.91 C ATOM 772 C GLU A 84 71.464 61.437 81.154 1.00 30.37 C ATOM 773 O GLU A 84 72.648 61.791 81.234 1.00 23.65 O ATOM 774 CB GLU A 84 70.209 60.910 83.261 1.00 27.86 C ATOM 775 CG GLU A 84 71.055 61.867 84.133 1.00 28.44 C ATOM 776 CD GLU A 84 71.929 61.150 85.168 1.00 36.17 C ATOM 777 OE1 GLU A 84 72.211 59.935 85.013 1.00 31.44 O ATOM 778 OE2 GLU A 84 72.334 61.808 86.152 1.00 36.65 O ATOM 779 H GLU A 84 72.206 59.377 83.474 1.00 0.00 H ATOM 780 N ASP A 85 70.600 61.982 80.300 1.00 26.56 N ATOM 781 CA ASP A 85 70.906 63.256 79.665 1.00 26.45 C ATOM 782 C ASP A 85 70.872 64.303 80.775 1.00 29.44 C ATOM 783 O ASP A 85 69.813 64.603 81.344 1.00 28.36 O ATOM 784 CB ASP A 85 69.924 63.593 78.543 1.00 20.52 C ATOM 785 CG ASP A 85 69.928 62.550 77.423 1.00 30.44 C ATOM 786 OD1 ASP A 85 71.024 62.154 76.964 1.00 28.81 O ATOM 787 OD2 ASP A 85 68.826 62.119 76.998 1.00 30.34 O ATOM 788 H ASP A 85 69.705 61.497 80.086 1.00 0.00 H ATOM 789 N GLU A 86 72.047 64.830 81.098 1.00 25.94 N ATOM 790 CA GLU A 86 72.211 65.696 82.250 1.00 27.22 C ATOM 791 C GLU A 86 71.438 66.999 82.111 1.00 28.61 C ATOM 792 O GLU A 86 70.767 67.428 83.042 1.00 26.43 O ATOM 793 CB GLU A 86 73.692 65.998 82.462 1.00 25.06 C ATOM 794 CG GLU A 86 74.012 66.706 83.747 1.00 23.80 C ATOM 795 CD GLU A 86 75.518 66.783 83.979 1.00 28.17 C ATOM 796 OE1 GLU A 86 76.280 66.466 83.039 1.00 27.54 O ATOM 797 OE2 GLU A 86 75.936 67.138 85.101 1.00 30.34 O ATOM 798 H GLU A 86 72.875 64.615 80.507 1.00 0.00 H ATOM 799 N ASN A 87 71.597 67.651 80.968 1.00 23.61 N ATOM 800 CA ASN A 87 70.777 68.802 80.597 1.00 29.39 C ATOM 801 C ASN A 87 71.052 69.104 79.139 1.00 31.17 C ATOM 802 O ASN A 87 71.931 68.491 78.544 1.00 26.17 O ATOM 803 CB ASN A 87 71.064 70.031 81.457 1.00 25.20 C ATOM 804 CG ASN A 87 72.496 70.531 81.304 1.00 31.90 C ATOM 805 OD1 ASN A 87 72.942 70.862 80.198 1.00 27.84 O ATOM 806 ND2 ASN A 87 73.210 70.624 82.424 1.00 29.25 N ATOM 807 HD22 ASN A 87 72.794 70.334 83.332 1.00 0.00 H ATOM 808 HD21 ASN A 87 74.184 70.987 82.391 1.00 0.00 H ATOM 809 H ASN A 87 72.335 67.331 80.309 1.00 0.00 H ATOM 810 N PHE A 88 70.325 70.058 78.570 1.00 29.88 N ATOM 811 CA PHE A 88 70.576 70.452 77.191 1.00 27.63 C ATOM 812 C PHE A 88 70.872 71.954 77.127 1.00 27.98 C ATOM 813 O PHE A 88 70.500 72.649 76.182 1.00 27.41 O ATOM 814 CB PHE A 88 69.384 70.060 76.303 1.00 27.59 C ATOM 815 CG PHE A 88 69.199 68.563 76.160 1.00 33.38 C ATOM 816 CD1 PHE A 88 70.077 67.810 75.385 1.00 26.28 C ATOM 817 CD2 PHE A 88 68.154 67.907 76.799 1.00 31.13 C ATOM 818 CE1 PHE A 88 69.920 66.436 75.242 1.00 26.88 C ATOM 819 CE2 PHE A 88 67.991 66.533 76.663 1.00 32.37 C ATOM 820 CZ PHE A 88 68.869 65.796 75.880 1.00 29.75 C ATOM 821 H PHE A 88 69.572 70.527 79.113 1.00 0.00 H ATOM 822 N ILE A 89 71.552 72.455 78.148 1.00 23.36 N ATOM 823 CA ILE A 89 71.860 73.885 78.216 1.00 28.27 C ATOM 824 C ILE A 89 72.690 74.371 77.025 1.00 32.79 C ATOM 825 O ILE A 89 72.415 75.432 76.466 1.00 36.23 O ATOM 826 CB ILE A 89 72.606 74.230 79.526 1.00 26.74 C ATOM 827 CG1 ILE A 89 71.707 73.933 80.730 1.00 31.30 C ATOM 828 CG2 ILE A 89 73.061 75.694 79.530 1.00 24.44 C ATOM 829 CD1 ILE A 89 72.423 74.012 82.096 1.00 31.16 C ATOM 830 H ILE A 89 71.871 71.824 78.911 1.00 0.00 H ATOM 831 N LEU A 90 73.697 73.593 76.632 1.00 28.54 N ATOM 832 CA LEU A 90 74.622 74.023 75.585 1.00 29.81 C ATOM 833 C LEU A 90 74.219 73.486 74.213 1.00 26.97 C ATOM 834 O LEU A 90 73.671 72.389 74.115 1.00 26.46 O ATOM 835 CB LEU A 90 76.047 73.588 75.936 1.00 24.78 C ATOM 836 CG LEU A 90 76.545 74.174 77.263 1.00 32.40 C ATOM 837 CD1 LEU A 90 77.872 73.563 77.670 1.00 23.60 C ATOM 838 CD2 LEU A 90 76.675 75.687 77.160 1.00 23.92 C ATOM 839 H LEU A 90 73.828 72.663 77.078 1.00 0.00 H ATOM 840 N LYS A 91 74.499 74.257 73.164 1.00 23.56 N ATOM 841 CA LYS A 91 74.061 73.912 71.815 1.00 29.15 C ATOM 842 C LYS A 91 75.217 73.584 70.884 1.00 29.14 C ATOM 843 O LYS A 91 76.375 73.935 71.149 1.00 24.80 O ATOM 844 CB LYS A 91 73.264 75.054 71.174 1.00 26.78 C ATOM 845 CG LYS A 91 72.304 75.794 72.063 1.00 28.96 C ATOM 846 CD LYS A 91 71.121 74.966 72.477 1.00 41.39 C ATOM 847 CE LYS A 91 70.201 75.772 73.399 1.00 55.51 C ATOM 848 NZ LYS A 91 69.179 74.921 74.086 1.00 60.66 N ATOM 849 HZ1 LYS A 91 68.584 74.452 73.373 1.00 0.00 H ATOM 850 HZ2 LYS A 91 69.660 74.203 74.665 1.00 0.00 H ATOM 851 HZ3 LYS A 91 68.585 75.519 74.696 1.00 0.00 H ATOM 852 H LYS A 91 75.045 75.130 73.310 1.00 0.00 H ATOM 853 N HIS A 92 74.873 72.941 69.772 1.00 22.11 N ATOM 854 CA HIS A 92 75.833 72.588 68.739 1.00 24.70 C ATOM 855 C HIS A 92 76.025 73.820 67.862 1.00 30.14 C ATOM 856 O HIS A 92 75.435 73.928 66.785 1.00 34.41 O ATOM 857 CB HIS A 92 75.353 71.374 67.921 1.00 20.14 C ATOM 858 CG HIS A 92 75.042 70.167 68.762 1.00 26.83 C ATOM 859 ND1 HIS A 92 73.904 70.075 69.540 1.00 24.03 N ATOM 860 CD2 HIS A 92 75.731 69.016 68.966 1.00 22.04 C ATOM 861 CE1 HIS A 92 73.905 68.918 70.183 1.00 25.63 C ATOM 862 NE2 HIS A 92 75.000 68.255 69.852 1.00 26.77 N ATOM 863 H HIS A 92 73.876 72.680 69.636 1.00 0.00 H ATOM 864 N THR A 93 76.845 74.747 68.347 1.00 25.79 N ATOM 865 CA THR A 93 76.968 76.076 67.768 1.00 32.36 C ATOM 866 C THR A 93 77.923 76.151 66.574 1.00 30.94 C ATOM 867 O THR A 93 77.898 77.105 65.815 1.00 33.52 O ATOM 868 CB THR A 93 77.454 77.075 68.826 1.00 29.35 C ATOM 869 OG1 THR A 93 78.700 76.618 69.360 1.00 32.76 O ATOM 870 CG2 THR A 93 76.465 77.193 69.957 1.00 24.23 C ATOM 871 HG1 THR A 93 79.366 76.553 68.631 1.00 0.00 H ATOM 872 H THR A 93 77.425 74.512 69.178 1.00 0.00 H ATOM 873 N GLY A 94 78.778 75.159 66.409 1.00 29.10 N ATOM 874 CA GLY A 94 79.767 75.245 65.355 1.00 27.68 C ATOM 875 C GLY A 94 80.779 74.128 65.422 1.00 28.23 C ATOM 876 O GLY A 94 80.694 73.260 66.284 1.00 30.99 O ATOM 877 H GLY A 94 78.742 74.325 67.029 1.00 0.00 H ATOM 878 N PRO A 95 81.745 74.143 64.502 1.00 33.25 N ATOM 879 CA PRO A 95 82.808 73.127 64.508 1.00 34.38 C ATOM 880 C PRO A 95 83.583 73.113 65.835 1.00 29.31 C ATOM 881 O PRO A 95 83.747 74.155 66.479 1.00 26.51 O ATOM 882 CB PRO A 95 83.705 73.533 63.324 1.00 34.41 C ATOM 883 CG PRO A 95 83.326 74.936 62.972 1.00 33.27 C ATOM 884 CD PRO A 95 81.934 75.182 63.468 1.00 34.01 C ATOM 885 N GLY A 96 83.998 71.922 66.254 1.00 22.63 N ATOM 886 CA GLY A 96 84.731 71.750 67.492 1.00 26.22 C ATOM 887 C GLY A 96 83.873 71.368 68.688 1.00 26.71 C ATOM 888 O GLY A 96 84.395 70.960 69.731 1.00 25.60 O ATOM 889 H GLY A 96 83.789 71.085 65.673 1.00 0.00 H ATOM 890 N ILE A 97 82.557 71.509 68.549 1.00 23.94 N ATOM 891 CA ILE A 97 81.648 71.135 69.625 1.00 22.83 C ATOM 892 C ILE A 97 81.753 69.626 69.895 1.00 22.70 C ATOM 893 O ILE A 97 81.718 68.814 68.963 1.00 22.15 O ATOM 894 CB ILE A 97 80.190 71.506 69.301 1.00 25.33 C ATOM 895 CG1 ILE A 97 79.993 73.027 69.392 1.00 23.44 C ATOM 896 CG2 ILE A 97 79.199 70.729 70.224 1.00 20.03 C ATOM 897 CD1 ILE A 97 80.185 73.617 70.779 1.00 25.42 C ATOM 898 H ILE A 97 82.172 71.891 67.661 1.00 0.00 H ATOM 899 N LEU A 98 81.898 69.289 71.177 1.00 20.94 N ATOM 900 CA LEU A 98 82.021 67.926 71.648 1.00 24.93 C ATOM 901 C LEU A 98 80.721 67.513 72.328 1.00 22.82 C ATOM 902 O LEU A 98 80.268 68.174 73.267 1.00 22.30 O ATOM 903 CB LEU A 98 83.211 67.808 72.617 1.00 21.81 C ATOM 904 CG LEU A 98 83.515 66.460 73.273 1.00 24.11 C ATOM 905 CD1 LEU A 98 83.872 65.399 72.248 1.00 18.32 C ATOM 906 CD2 LEU A 98 84.659 66.632 74.266 1.00 20.42 C ATOM 907 H LEU A 98 81.924 70.053 71.882 1.00 0.00 H ATOM 908 N SER A 99 80.133 66.414 71.862 1.00 25.95 N ATOM 909 CA SER A 99 78.781 66.036 72.266 1.00 19.66 C ATOM 910 C SER A 99 78.622 64.520 72.405 1.00 22.75 C ATOM 911 O SER A 99 79.311 63.739 71.741 1.00 21.99 O ATOM 912 CB SER A 99 77.761 66.601 71.245 1.00 25.37 C ATOM 913 OG SER A 99 76.399 66.382 71.636 1.00 25.21 O ATOM 914 HG SER A 99 75.795 66.762 70.950 1.00 0.00 H ATOM 915 H SER A 99 80.649 65.808 71.193 1.00 0.00 H ATOM 916 N MET A 100 77.702 64.103 73.271 1.00 19.56 N ATOM 917 CA MET A 100 77.505 62.677 73.526 1.00 25.75 C ATOM 918 C MET A 100 76.625 62.022 72.453 1.00 26.45 C ATOM 919 O MET A 100 75.557 62.531 72.121 1.00 23.25 O ATOM 920 CB MET A 100 76.882 62.444 74.923 1.00 18.12 C ATOM 921 CG MET A 100 77.794 62.767 76.109 1.00 17.75 C ATOM 922 SD MET A 100 79.360 61.825 76.085 1.00 22.20 S ATOM 923 CE MET A 100 78.721 60.175 76.418 1.00 21.70 C ATOM 924 H MET A 100 77.116 64.800 73.773 1.00 0.00 H ATOM 925 N ALA A 101 77.088 60.898 71.917 1.00 19.61 N ATOM 926 CA ALA A 101 76.257 60.044 71.094 1.00 22.21 C ATOM 927 C ALA A 101 75.281 59.319 72.020 1.00 26.67 C ATOM 928 O ALA A 101 75.531 59.238 73.222 1.00 21.85 O ATOM 929 CB ALA A 101 77.106 59.055 70.310 1.00 21.42 C ATOM 930 H ALA A 101 78.075 60.624 72.093 1.00 0.00 H ATOM 931 N ASN A 102 74.156 58.827 71.497 1.00 26.17 N ATOM 932 CA ASN A 102 73.275 58.001 72.330 1.00 27.00 C ATOM 933 C ASN A 102 72.399 57.071 71.499 1.00 24.63 C ATOM 934 O ASN A 102 72.523 57.030 70.272 1.00 27.49 O ATOM 935 CB ASN A 102 72.409 58.878 73.258 1.00 25.71 C ATOM 936 CG ASN A 102 71.545 59.863 72.505 1.00 25.26 C ATOM 937 OD1 ASN A 102 70.721 59.470 71.692 1.00 21.19 O ATOM 938 ND2 ASN A 102 71.699 61.153 72.809 1.00 21.78 N ATOM 939 HD22 ASN A 102 72.414 61.441 73.508 1.00 0.00 H ATOM 940 HD21 ASN A 102 71.104 61.871 72.347 1.00 0.00 H ATOM 941 H ASN A 102 73.906 59.027 70.508 1.00 0.00 H ATOM 942 N ALA A 103 71.542 56.303 72.172 1.00 24.73 N ATOM 943 CA ALA A 103 70.599 55.412 71.489 1.00 28.33 C ATOM 944 C ALA A 103 69.190 55.697 71.983 1.00 26.78 C ATOM 945 O ALA A 103 68.382 54.779 72.145 1.00 25.84 O ATOM 946 CB ALA A 103 70.962 53.928 71.724 1.00 17.03 C ATOM 947 H ALA A 103 71.542 56.337 73.211 1.00 0.00 H ATOM 948 N GLY A 104 68.912 56.973 72.228 1.00 23.90 N ATOM 949 CA GLY A 104 67.632 57.394 72.750 1.00 23.67 C ATOM 950 C GLY A 104 67.788 58.106 74.072 1.00 28.52 C ATOM 951 O GLY A 104 68.916 58.257 74.573 1.00 30.12 O ATOM 952 H GLY A 104 69.639 57.692 72.038 1.00 0.00 H ATOM 953 N PRO A 105 66.663 58.555 74.648 1.00 30.36 N ATOM 954 CA PRO A 105 66.706 59.333 75.885 1.00 31.85 C ATOM 955 C PRO A 105 67.460 58.597 76.983 1.00 26.95 C ATOM 956 O PRO A 105 67.266 57.398 77.170 1.00 25.67 O ATOM 957 CB PRO A 105 65.222 59.514 76.246 1.00 30.51 C ATOM 958 CG PRO A 105 64.497 59.359 74.943 1.00 31.19 C ATOM 959 CD PRO A 105 65.282 58.325 74.190 1.00 33.16 C ATOM 960 N ASN A 106 68.353 59.319 77.653 1.00 28.13 N ATOM 961 CA ASN A 106 69.053 58.819 78.834 1.00 27.23 C ATOM 962 C ASN A 106 69.805 57.522 78.584 1.00 22.28 C ATOM 963 O ASN A 106 69.755 56.593 79.399 1.00 26.61 O ATOM 964 CB ASN A 106 68.041 58.654 79.966 1.00 22.49 C ATOM 965 CG ASN A 106 67.183 59.888 80.142 1.00 25.69 C ATOM 966 OD1 ASN A 106 67.700 60.987 80.355 1.00 26.43 O ATOM 967 ND2 ASN A 106 65.859 59.725 80.015 1.00 26.16 N ATOM 968 HD22 ASN A 106 65.466 58.779 79.836 1.00 0.00 H ATOM 969 HD21 ASN A 106 65.224 60.545 80.096 1.00 0.00 H ATOM 970 H ASN A 106 68.563 60.282 77.322 1.00 0.00 H ATOM 971 N THR A 107 70.497 57.449 77.452 1.00 24.72 N ATOM 972 CA THR A 107 71.329 56.287 77.149 1.00 27.09 C ATOM 973 C THR A 107 72.810 56.632 76.907 1.00 27.97 C ATOM 974 O THR A 107 73.479 55.981 76.096 1.00 26.02 O ATOM 975 CB THR A 107 70.811 55.551 75.918 1.00 28.60 C ATOM 976 OG1 THR A 107 70.819 56.442 74.792 1.00 24.05 O ATOM 977 CG2 THR A 107 69.386 55.035 76.172 1.00 28.59 C ATOM 978 HG1 THR A 107 70.236 57.219 74.983 1.00 0.00 H ATOM 979 H THR A 107 70.445 58.232 76.770 1.00 0.00 H ATOM 980 N ASN A 108 73.337 57.643 77.585 1.00 26.91 N ATOM 981 CA ASN A 108 74.755 57.979 77.391 1.00 25.69 C ATOM 982 C ASN A 108 75.699 56.911 77.917 1.00 24.56 C ATOM 983 O ASN A 108 75.545 56.403 79.031 1.00 28.99 O ATOM 984 CB ASN A 108 75.084 59.344 78.037 1.00 25.06 C ATOM 985 CG ASN A 108 74.207 60.473 77.509 1.00 22.72 C ATOM 986 OD1 ASN A 108 73.917 60.531 76.313 1.00 60.52 O ATOM 987 ND2 ASN A 108 73.740 61.328 78.397 1.00 38.79 N ATOM 988 HD22 ASN A 108 74.012 61.240 79.397 1.00 0.00 H ATOM 989 HD21 ASN A 108 73.099 62.090 78.098 1.00 0.00 H ATOM 990 H ASN A 108 72.753 58.192 78.247 1.00 0.00 H ATOM 991 N GLY A 109 76.672 56.559 77.094 1.00 22.50 N ATOM 992 CA GLY A 109 77.677 55.583 77.462 1.00 24.08 C ATOM 993 C GLY A 109 79.047 56.236 77.414 1.00 22.16 C ATOM 994 O GLY A 109 79.390 57.076 78.250 1.00 20.74 O ATOM 995 H GLY A 109 76.717 56.997 76.152 1.00 0.00 H ATOM 996 N SER A 110 79.819 55.877 76.400 1.00 20.19 N ATOM 997 CA SER A 110 81.106 56.510 76.199 1.00 22.67 C ATOM 998 C SER A 110 81.247 57.120 74.813 1.00 22.65 C ATOM 999 O SER A 110 82.149 57.931 74.588 1.00 23.36 O ATOM 1000 CB SER A 110 82.219 55.495 76.419 1.00 21.99 C ATOM 1001 OG SER A 110 82.108 54.489 75.451 1.00 19.75 O ATOM 1002 HG SER A 110 82.191 54.890 74.549 1.00 0.00 H ATOM 1003 H SER A 110 79.499 55.136 75.744 1.00 0.00 H ATOM 1004 N GLN A 111 80.392 56.723 73.873 1.00 18.16 N ATOM 1005 CA GLN A 111 80.496 57.256 72.508 1.00 14.13 C ATOM 1006 C GLN A 111 80.170 58.739 72.448 1.00 20.52 C ATOM 1007 O GLN A 111 79.308 59.242 73.167 1.00 19.31 O ATOM 1008 CB GLN A 111 79.589 56.486 71.545 1.00 17.54 C ATOM 1009 CG GLN A 111 80.085 55.076 71.231 1.00 18.39 C ATOM 1010 CD GLN A 111 79.488 54.502 69.961 1.00 24.40 C ATOM 1011 OE1 GLN A 111 79.258 55.225 68.980 1.00 22.02 O ATOM 1012 NE2 GLN A 111 79.240 53.189 69.965 1.00 19.55 N ATOM 1013 HE22 GLN A 111 79.450 52.623 70.812 1.00 0.00 H ATOM 1014 HE21 GLN A 111 78.837 52.733 69.121 1.00 0.00 H ATOM 1015 H GLN A 111 79.649 56.034 74.106 1.00 0.00 H ATOM 1016 N PHE A 112 80.884 59.439 71.576 1.00 20.42 N ATOM 1017 CA PHE A 112 80.860 60.892 71.537 1.00 19.53 C ATOM 1018 C PHE A 112 81.073 61.323 70.093 1.00 19.44 C ATOM 1019 O PHE A 112 81.490 60.519 69.243 1.00 21.17 O ATOM 1020 CB PHE A 112 81.979 61.477 72.406 1.00 19.06 C ATOM 1021 CG PHE A 112 83.349 61.116 71.889 1.00 23.01 C ATOM 1022 CD1 PHE A 112 83.997 61.926 70.960 1.00 19.21 C ATOM 1023 CD2 PHE A 112 83.963 59.925 72.277 1.00 21.71 C ATOM 1024 CE1 PHE A 112 85.247 61.559 70.436 1.00 20.77 C ATOM 1025 CE2 PHE A 112 85.224 59.563 71.765 1.00 20.81 C ATOM 1026 CZ PHE A 112 85.854 60.391 70.842 1.00 21.19 C ATOM 1027 H PHE A 112 81.483 58.930 70.895 1.00 0.00 H ATOM 1028 N PHE A 113 80.854 62.598 69.807 1.00 16.08 N ATOM 1029 CA PHE A 113 81.229 63.057 68.498 1.00 19.57 C ATOM 1030 C PHE A 113 81.744 64.482 68.542 1.00 21.84 C ATOM 1031 O PHE A 113 81.458 65.242 69.483 1.00 19.86 O ATOM 1032 CB PHE A 113 80.055 62.898 67.502 1.00 19.07 C ATOM 1033 CG PHE A 113 78.793 63.641 67.880 1.00 24.66 C ATOM 1034 CD1 PHE A 113 77.876 63.090 68.757 1.00 25.49 C ATOM 1035 CD2 PHE A 113 78.504 64.879 67.312 1.00 24.63 C ATOM 1036 CE1 PHE A 113 76.690 63.773 69.089 1.00 20.76 C ATOM 1037 CE2 PHE A 113 77.337 65.564 67.632 1.00 24.84 C ATOM 1038 CZ PHE A 113 76.426 65.012 68.523 1.00 23.76 C ATOM 1039 H PHE A 113 80.427 63.242 70.503 1.00 0.00 H ATOM 1040 N ILE A 114 82.554 64.815 67.536 1.00 21.90 N ATOM 1041 CA ILE A 114 83.057 66.170 67.365 1.00 23.07 C ATOM 1042 C ILE A 114 82.420 66.771 66.126 1.00 22.02 C ATOM 1043 O ILE A 114 82.557 66.229 65.038 1.00 19.55 O ATOM 1044 CB ILE A 114 84.603 66.205 67.211 1.00 25.85 C ATOM 1045 CG1 ILE A 114 85.261 65.371 68.316 1.00 22.63 C ATOM 1046 CG2 ILE A 114 85.096 67.635 67.219 1.00 15.97 C ATOM 1047 CD1 ILE A 114 86.740 65.091 68.101 1.00 24.86 C ATOM 1048 H ILE A 114 82.835 64.083 66.852 1.00 0.00 H ATOM 1049 N CYS A 115 81.723 67.886 66.295 1.00 26.44 N ATOM 1050 CA CYS A 115 81.117 68.572 65.165 1.00 27.79 C ATOM 1051 C CYS A 115 82.148 69.244 64.275 1.00 32.70 C ATOM 1052 O CYS A 115 83.085 69.872 64.764 1.00 30.07 O ATOM 1053 CB CYS A 115 80.137 69.616 65.663 1.00 25.18 C ATOM 1054 SG CYS A 115 78.806 68.880 66.579 1.00 32.59 S ATOM 1055 H CYS A 115 81.608 68.277 67.252 1.00 0.00 H ATOM 1056 N THR A 116 81.979 69.131 62.966 1.00 30.91 N ATOM 1057 CA THR A 116 82.828 69.909 62.070 1.00 34.95 C ATOM 1058 C THR A 116 82.029 71.047 61.425 1.00 32.61 C ATOM 1059 O THR A 116 82.509 71.739 60.529 1.00 36.73 O ATOM 1060 CB THR A 116 83.473 69.031 61.004 1.00 33.12 C ATOM 1061 OG1 THR A 116 82.462 68.278 60.332 1.00 31.53 O ATOM 1062 CG2 THR A 116 84.478 68.068 61.658 1.00 31.36 C ATOM 1063 HG1 THR A 116 82.882 67.708 59.640 1.00 0.00 H ATOM 1064 H THR A 116 81.251 68.496 62.582 1.00 0.00 H ATOM 1065 N ALA A 117 80.815 71.255 61.926 1.00 35.19 N ATOM 1066 CA ALA A 117 79.971 72.350 61.466 1.00 33.80 C ATOM 1067 C ALA A 117 78.958 72.683 62.534 1.00 31.35 C ATOM 1068 O ALA A 117 78.872 71.999 63.562 1.00 31.18 O ATOM 1069 CB ALA A 117 79.267 71.976 60.143 1.00 33.56 C ATOM 1070 H ALA A 117 80.458 70.618 62.667 1.00 0.00 H ATOM 1071 N LYS A 118 78.194 73.741 62.297 1.00 32.13 N ATOM 1072 CA LYS A 118 77.032 74.044 63.119 1.00 36.65 C ATOM 1073 C LYS A 118 75.964 72.990 62.830 1.00 37.71 C ATOM 1074 O LYS A 118 75.602 72.772 61.672 1.00 35.71 O ATOM 1075 CB LYS A 118 76.511 75.447 62.816 1.00 31.30 C ATOM 1076 CG LYS A 118 75.392 75.933 63.718 1.00 33.13 C ATOM 1077 CD LYS A 118 74.888 77.276 63.189 1.00 37.29 C ATOM 1078 CE LYS A 118 74.093 78.069 64.210 1.00 47.20 C ATOM 1079 NZ LYS A 118 72.757 77.488 64.510 1.00 59.19 N ATOM 1080 HZ1 LYS A 118 72.192 77.452 63.637 1.00 0.00 H ATOM 1081 HZ2 LYS A 118 72.875 76.526 64.888 1.00 0.00 H ATOM 1082 HZ3 LYS A 118 72.272 78.081 65.214 1.00 0.00 H ATOM 1083 H LYS A 118 78.431 74.370 61.504 1.00 0.00 H ATOM 1084 N THR A 119 75.483 72.311 63.866 1.00 28.25 N ATOM 1085 CA THR A 119 74.509 71.249 63.667 1.00 28.73 C ATOM 1086 C THR A 119 73.373 71.458 64.640 1.00 29.87 C ATOM 1087 O THR A 119 73.158 70.658 65.553 1.00 25.37 O ATOM 1088 CB THR A 119 75.127 69.843 63.857 1.00 28.14 C ATOM 1089 OG1 THR A 119 75.710 69.741 65.156 1.00 27.14 O ATOM 1090 CG2 THR A 119 76.217 69.589 62.839 1.00 28.58 C ATOM 1091 HG1 THR A 119 75.012 69.887 65.842 1.00 0.00 H ATOM 1092 H THR A 119 75.806 72.541 64.828 1.00 0.00 H ATOM 1093 N GLU A 120 72.653 72.555 64.433 1.00 29.98 N ATOM 1094 CA GLU A 120 71.605 73.004 65.344 1.00 35.34 C ATOM 1095 C GLU A 120 70.460 71.996 65.395 1.00 30.41 C ATOM 1096 O GLU A 120 69.696 71.983 66.357 1.00 27.72 O ATOM 1097 CB GLU A 120 71.096 74.391 64.928 1.00 37.72 C ATOM 1098 CG GLU A 120 70.452 74.423 63.539 1.00 51.00 C ATOM 1099 CD GLU A 120 71.463 74.669 62.415 1.00 68.48 C ATOM 1100 OE1 GLU A 120 72.606 74.164 62.486 1.00 74.27 O ATOM 1101 OE2 GLU A 120 71.097 75.355 61.436 1.00 78.33 O ATOM 1102 H GLU A 120 72.845 73.121 63.582 1.00 0.00 H ATOM 1103 N TRP A 121 70.369 71.123 64.391 1.00 26.24 N ATOM 1104 CA TRP A 121 69.315 70.101 64.361 1.00 31.42 C ATOM 1105 C TRP A 121 69.578 68.970 65.338 1.00 30.53 C ATOM 1106 O TRP A 121 68.772 68.039 65.450 1.00 34.03 O ATOM 1107 CB TRP A 121 69.150 69.507 62.960 1.00 30.39 C ATOM 1108 CG TRP A 121 70.385 68.828 62.459 1.00 31.46 C ATOM 1109 CD1 TRP A 121 70.766 67.537 62.682 1.00 28.22 C ATOM 1110 CD2 TRP A 121 71.409 69.418 61.655 1.00 28.40 C ATOM 1111 NE1 TRP A 121 71.969 67.287 62.065 1.00 28.64 N ATOM 1112 CE2 TRP A 121 72.383 68.427 61.428 1.00 29.82 C ATOM 1113 CE3 TRP A 121 71.596 70.690 61.104 1.00 31.54 C ATOM 1114 CZ2 TRP A 121 73.527 68.667 60.669 1.00 32.08 C ATOM 1115 CZ3 TRP A 121 72.734 70.928 60.351 1.00 31.79 C ATOM 1116 CH2 TRP A 121 73.686 69.921 60.144 1.00 32.47 C ATOM 1117 HE1 TRP A 121 72.480 66.382 62.079 1.00 0.00 H ATOM 1118 H TRP A 121 71.058 71.167 63.614 1.00 0.00 H ATOM 1119 N LEU A 122 70.701 69.035 66.042 1.00 24.58 N ATOM 1120 CA LEU A 122 71.019 68.042 67.063 1.00 23.65 C ATOM 1121 C LEU A 122 70.758 68.619 68.448 1.00 23.93 C ATOM 1122 O LEU A 122 70.837 67.890 69.449 1.00 22.68 O ATOM 1123 CB LEU A 122 72.485 67.585 66.953 1.00 27.10 C ATOM 1124 CG LEU A 122 72.836 66.806 65.686 1.00 26.71 C ATOM 1125 CD1 LEU A 122 74.243 66.246 65.737 1.00 25.55 C ATOM 1126 CD2 LEU A 122 71.831 65.688 65.470 1.00 27.52 C ATOM 1127 H LEU A 122 71.370 69.811 65.862 1.00 0.00 H ATOM 1128 N ASP A 123 70.455 69.923 68.508 1.00 20.24 N ATOM 1129 CA ASP A 123 70.188 70.584 69.795 1.00 22.73 C ATOM 1130 C ASP A 123 69.013 69.909 70.499 1.00 28.72 C ATOM 1131 O ASP A 123 68.033 69.531 69.856 1.00 26.41 O ATOM 1132 CB ASP A 123 69.907 72.086 69.620 1.00 24.40 C ATOM 1133 CG ASP A 123 71.134 72.872 69.184 1.00 24.34 C ATOM 1134 OD1 ASP A 123 72.254 72.344 69.273 1.00 26.35 O ATOM 1135 OD2 ASP A 123 70.983 74.032 68.750 1.00 32.42 O ATOM 1136 H ASP A 123 70.408 70.477 67.629 1.00 0.00 H ATOM 1137 N GLY A 124 69.127 69.735 71.816 1.00 28.82 N ATOM 1138 CA GLY A 124 68.114 69.019 72.578 1.00 29.10 C ATOM 1139 C GLY A 124 68.106 67.509 72.390 1.00 33.57 C ATOM 1140 O GLY A 124 67.450 66.798 73.155 1.00 36.11 O ATOM 1141 H GLY A 124 69.958 70.119 72.310 1.00 0.00 H ATOM 1142 N LYS A 125 68.838 67.007 71.395 1.00 27.06 N ATOM 1143 CA LYS A 125 68.905 65.560 71.149 1.00 32.05 C ATOM 1144 C LYS A 125 70.197 64.904 71.677 1.00 34.22 C ATOM 1145 O LYS A 125 70.242 63.707 71.955 1.00 31.43 O ATOM 1146 CB LYS A 125 68.791 65.287 69.652 1.00 27.41 C ATOM 1147 CG LYS A 125 67.580 65.912 69.040 1.00 28.10 C ATOM 1148 CD LYS A 125 67.505 65.628 67.565 1.00 31.50 C ATOM 1149 CE LYS A 125 66.352 66.415 66.951 1.00 28.99 C ATOM 1150 NZ LYS A 125 66.327 66.124 65.546 1.00 31.37 N ATOM 1151 HZ1 LYS A 125 67.230 66.410 65.118 1.00 0.00 H ATOM 1152 HZ2 LYS A 125 66.184 65.103 65.407 1.00 0.00 H ATOM 1153 HZ3 LYS A 125 65.548 66.648 65.098 1.00 0.00 H ATOM 1154 H LYS A 125 69.373 67.653 70.780 1.00 0.00 H ATOM 1155 N HIS A 126 71.255 65.696 71.770 1.00 29.76 N ATOM 1156 CA HIS A 126 72.519 65.206 72.278 1.00 25.80 C ATOM 1157 C HIS A 126 73.039 66.185 73.307 1.00 24.27 C ATOM 1158 O HIS A 126 72.880 67.401 73.138 1.00 26.36 O ATOM 1159 CB HIS A 126 73.502 65.015 71.141 1.00 21.69 C ATOM 1160 CG HIS A 126 73.073 63.980 70.148 1.00 24.01 C ATOM 1161 ND1 HIS A 126 73.372 62.645 70.297 1.00 25.61 N ATOM 1162 CD2 HIS A 126 72.368 64.083 68.998 1.00 27.79 C ATOM 1163 CE1 HIS A 126 72.875 61.969 69.275 1.00 30.56 C ATOM 1164 NE2 HIS A 126 72.258 62.816 68.474 1.00 27.17 N ATOM 1165 H HIS A 126 71.176 66.689 71.472 1.00 0.00 H ATOM 1166 N VAL A 127 73.622 65.673 74.390 1.00 21.63 N ATOM 1167 CA VAL A 127 74.193 66.560 75.407 1.00 23.52 C ATOM 1168 C VAL A 127 75.589 67.087 74.999 1.00 22.44 C ATOM 1169 O VAL A 127 76.536 66.326 74.825 1.00 24.73 O ATOM 1170 CB VAL A 127 74.278 65.848 76.775 1.00 26.64 C ATOM 1171 CG1 VAL A 127 74.899 66.762 77.819 1.00 19.88 C ATOM 1172 CG2 VAL A 127 72.876 65.398 77.230 1.00 23.83 C ATOM 1173 H VAL A 127 73.672 64.642 74.514 1.00 0.00 H ATOM 1174 N VAL A 128 75.680 68.398 74.819 1.00 22.62 N ATOM 1175 CA VAL A 128 76.939 69.082 74.542 1.00 19.62 C ATOM 1176 C VAL A 128 77.699 69.261 75.850 1.00 20.73 C ATOM 1177 O VAL A 128 77.123 69.718 76.835 1.00 22.74 O ATOM 1178 CB VAL A 128 76.706 70.473 73.871 1.00 25.26 C ATOM 1179 CG1 VAL A 128 78.031 71.253 73.726 1.00 25.44 C ATOM 1180 CG2 VAL A 128 76.030 70.323 72.520 1.00 21.60 C ATOM 1181 H VAL A 128 74.811 68.967 74.878 1.00 0.00 H ATOM 1182 N PHE A 129 78.986 68.913 75.885 1.00 20.43 N ATOM 1183 CA PHE A 129 79.701 68.981 77.164 1.00 21.72 C ATOM 1184 C PHE A 129 81.154 69.443 77.033 1.00 25.00 C ATOM 1185 O PHE A 129 81.906 69.439 78.009 1.00 23.91 O ATOM 1186 CB PHE A 129 79.663 67.610 77.850 1.00 19.36 C ATOM 1187 CG PHE A 129 80.429 66.564 77.121 1.00 17.83 C ATOM 1188 CD1 PHE A 129 79.831 65.824 76.122 1.00 19.15 C ATOM 1189 CD2 PHE A 129 81.770 66.338 77.416 1.00 21.67 C ATOM 1190 CE1 PHE A 129 80.549 64.858 75.432 1.00 21.17 C ATOM 1191 CE2 PHE A 129 82.496 65.373 76.729 1.00 16.54 C ATOM 1192 CZ PHE A 129 81.892 64.632 75.741 1.00 17.63 C ATOM 1193 H PHE A 129 79.474 68.599 75.022 1.00 0.00 H ATOM 1194 N GLY A 130 81.562 69.824 75.831 1.00 21.59 N ATOM 1195 CA GLY A 130 82.904 70.343 75.663 1.00 24.03 C ATOM 1196 C GLY A 130 83.153 70.918 74.291 1.00 28.87 C ATOM 1197 O GLY A 130 82.255 70.924 73.444 1.00 28.41 O ATOM 1198 H GLY A 130 80.923 69.751 75.014 1.00 0.00 H ATOM 1199 N LYS A 131 84.386 71.362 74.059 1.00 21.83 N ATOM 1200 CA LYS A 131 84.737 72.020 72.812 1.00 29.59 C ATOM 1201 C LYS A 131 86.215 71.848 72.523 1.00 28.00 C ATOM 1202 O LYS A 131 87.035 71.930 73.447 1.00 23.36 O ATOM 1203 CB LYS A 131 84.391 73.520 72.879 1.00 22.48 C ATOM 1204 CG LYS A 131 84.056 74.122 71.528 1.00 37.67 C ATOM 1205 CD LYS A 131 83.731 75.625 71.646 1.00 57.13 C ATOM 1206 CE LYS A 131 83.259 76.241 70.316 1.00 44.50 C ATOM 1207 NZ LYS A 131 84.134 75.850 69.178 1.00 43.36 N ATOM 1208 HZ1 LYS A 131 85.105 76.176 69.361 1.00 0.00 H ATOM 1209 HZ2 LYS A 131 84.128 74.815 69.077 1.00 0.00 H ATOM 1210 HZ3 LYS A 131 83.779 76.287 68.303 1.00 0.00 H ATOM 1211 H LYS A 131 85.116 71.235 74.788 1.00 0.00 H ATOM 1212 N VAL A 132 86.559 71.621 71.255 1.00 25.63 N ATOM 1213 CA VAL A 132 87.966 71.563 70.863 1.00 23.21 C ATOM 1214 C VAL A 132 88.646 72.862 71.298 1.00 26.80 C ATOM 1215 O VAL A 132 88.136 73.953 71.063 1.00 27.79 O ATOM 1216 CB VAL A 132 88.150 71.348 69.354 1.00 23.77 C ATOM 1217 CG1 VAL A 132 89.621 71.596 68.946 1.00 21.03 C ATOM 1218 CG2 VAL A 132 87.732 69.941 68.962 1.00 18.24 C ATOM 1219 H VAL A 132 85.819 71.484 70.538 1.00 0.00 H ATOM 1220 N LYS A 133 89.761 72.720 72.002 1.00 26.95 N ATOM 1221 CA LYS A 133 90.540 73.851 72.492 1.00 28.84 C ATOM 1222 C LYS A 133 91.643 74.139 71.477 1.00 26.86 C ATOM 1223 O LYS A 133 91.750 75.240 70.961 1.00 33.53 O ATOM 1224 CB LYS A 133 91.146 73.549 73.868 1.00 33.94 C ATOM 1225 CG LYS A 133 91.619 74.771 74.630 1.00 37.54 C ATOM 1226 CD LYS A 133 92.601 74.377 75.719 1.00 40.24 C ATOM 1227 CE LYS A 133 92.514 75.294 76.925 1.00 47.66 C ATOM 1228 NZ LYS A 133 91.228 75.102 77.694 1.00 57.14 N ATOM 1229 HZ1 LYS A 133 90.420 75.306 77.072 1.00 0.00 H ATOM 1230 HZ2 LYS A 133 91.169 74.119 78.029 1.00 0.00 H ATOM 1231 HZ3 LYS A 133 91.213 75.749 78.508 1.00 0.00 H ATOM 1232 H LYS A 133 90.095 71.758 72.214 1.00 0.00 H ATOM 1233 N GLU A 134 92.448 73.130 71.178 1.00 22.32 N ATOM 1234 CA GLU A 134 93.449 73.258 70.131 1.00 27.12 C ATOM 1235 C GLU A 134 93.490 72.019 69.270 1.00 23.61 C ATOM 1236 O GLU A 134 93.153 70.937 69.727 1.00 24.52 O ATOM 1237 CB GLU A 134 94.822 73.537 70.746 1.00 29.57 C ATOM 1238 CG GLU A 134 95.024 75.037 70.982 1.00 49.08 C ATOM 1239 CD GLU A 134 96.223 75.336 71.831 1.00 72.83 C ATOM 1240 OE1 GLU A 134 97.176 75.970 71.317 1.00 79.06 O ATOM 1241 OE2 GLU A 134 96.201 74.949 73.023 1.00 73.25 O ATOM 1242 H GLU A 134 92.363 72.234 71.699 1.00 0.00 H ATOM 1243 N GLY A 135 93.890 72.172 68.015 1.00 25.46 N ATOM 1244 CA GLY A 135 93.998 71.032 67.128 1.00 19.25 C ATOM 1245 C GLY A 135 92.793 70.844 66.211 1.00 23.42 C ATOM 1246 O GLY A 135 92.634 69.767 65.624 1.00 25.51 O ATOM 1247 H GLY A 135 94.129 73.121 67.664 1.00 0.00 H ATOM 1248 N MET A 136 91.960 71.877 66.065 1.00 24.70 N ATOM 1249 CA MET A 136 90.844 71.809 65.113 1.00 29.95 C ATOM 1250 C MET A 136 91.362 71.473 63.716 1.00 28.08 C ATOM 1251 O MET A 136 90.684 70.805 62.937 1.00 34.20 O ATOM 1252 CB MET A 136 90.043 73.120 65.082 1.00 29.36 C ATOM 1253 CG MET A 136 88.673 72.960 64.393 1.00 39.21 C ATOM 1254 SD MET A 136 87.576 71.741 65.219 1.00 32.21 S ATOM 1255 CE MET A 136 86.736 71.009 63.812 1.00 29.05 C ATOM 1256 H MET A 136 92.103 72.738 66.631 1.00 0.00 H ATOM 1257 N ASN A 137 92.590 71.886 63.419 1.00 27.32 N ATOM 1258 CA ASN A 137 93.198 71.553 62.132 1.00 32.16 C ATOM 1259 C ASN A 137 93.476 70.058 62.018 1.00 25.56 C ATOM 1260 O ASN A 137 93.545 69.523 60.916 1.00 32.61 O ATOM 1261 CB ASN A 137 94.490 72.353 61.904 1.00 29.33 C ATOM 1262 CG ASN A 137 95.634 71.910 62.814 1.00 33.60 C ATOM 1263 OD1 ASN A 137 95.588 72.093 64.029 1.00 33.68 O ATOM 1264 ND2 ASN A 137 96.679 71.355 62.216 1.00 33.37 N ATOM 1265 HD22 ASN A 137 96.676 71.219 61.185 1.00 0.00 H ATOM 1266 HD21 ASN A 137 97.501 71.056 62.778 1.00 0.00 H ATOM 1267 H ASN A 137 93.124 72.452 64.109 1.00 0.00 H ATOM 1268 N ILE A 138 93.607 69.377 63.154 1.00 28.09 N ATOM 1269 CA ILE A 138 93.790 67.921 63.156 1.00 25.87 C ATOM 1270 C ILE A 138 92.457 67.206 62.903 1.00 25.51 C ATOM 1271 O ILE A 138 92.409 66.173 62.231 1.00 27.11 O ATOM 1272 CB ILE A 138 94.402 67.425 64.498 1.00 32.03 C ATOM 1273 CG1 ILE A 138 95.725 68.148 64.765 1.00 24.13 C ATOM 1274 CG2 ILE A 138 94.589 65.894 64.495 1.00 19.26 C ATOM 1275 CD1 ILE A 138 96.744 67.898 63.671 1.00 26.85 C ATOM 1276 H ILE A 138 93.579 69.888 64.060 1.00 0.00 H ATOM 1277 N VAL A 139 91.372 67.760 63.431 1.00 23.77 N ATOM 1278 CA VAL A 139 90.049 67.185 63.188 1.00 28.10 C ATOM 1279 C VAL A 139 89.704 67.319 61.695 1.00 28.18 C ATOM 1280 O VAL A 139 89.206 66.385 61.075 1.00 26.37 O ATOM 1281 CB VAL A 139 88.964 67.858 64.066 1.00 27.49 C ATOM 1282 CG1 VAL A 139 87.583 67.311 63.735 1.00 27.70 C ATOM 1283 CG2 VAL A 139 89.288 67.645 65.560 1.00 21.25 C ATOM 1284 H VAL A 139 91.464 68.610 64.023 1.00 0.00 H ATOM 1285 N GLU A 140 90.018 68.475 61.119 1.00 29.53 N ATOM 1286 CA GLU A 140 89.827 68.683 59.696 1.00 30.58 C ATOM 1287 C GLU A 140 90.644 67.696 58.875 1.00 36.39 C ATOM 1288 O GLU A 140 90.164 67.166 57.865 1.00 36.09 O ATOM 1289 CB GLU A 140 90.181 70.115 59.329 1.00 28.54 C ATOM 1290 CG GLU A 140 89.239 71.120 59.966 1.00 32.29 C ATOM 1291 CD GLU A 140 89.801 72.523 59.932 1.00 42.69 C ATOM 1292 OE1 GLU A 140 90.959 72.661 59.493 1.00 45.55 O ATOM 1293 OE2 GLU A 140 89.103 73.479 60.347 1.00 44.03 O ATOM 1294 H GLU A 140 90.408 69.245 61.699 1.00 0.00 H ATOM 1295 N ALA A 141 91.873 67.431 59.310 1.00 33.09 N ATOM 1296 CA ALA A 141 92.691 66.457 58.613 1.00 28.10 C ATOM 1297 C ALA A 141 92.065 65.067 58.729 1.00 34.04 C ATOM 1298 O ALA A 141 92.136 64.276 57.794 1.00 31.27 O ATOM 1299 CB ALA A 141 94.135 66.461 59.158 1.00 26.28 C ATOM 1300 H ALA A 141 92.246 67.921 60.148 1.00 0.00 H ATOM 1301 N MET A 142 91.456 64.774 59.880 1.00 28.52 N ATOM 1302 CA MET A 142 90.756 63.501 60.079 1.00 34.95 C ATOM 1303 C MET A 142 89.620 63.320 59.076 1.00 27.14 C ATOM 1304 O MET A 142 89.378 62.212 58.612 1.00 32.18 O ATOM 1305 CB MET A 142 90.187 63.402 61.503 1.00 29.55 C ATOM 1306 CG MET A 142 91.210 63.117 62.568 1.00 29.40 C ATOM 1307 SD MET A 142 90.598 63.391 64.244 1.00 30.92 S ATOM 1308 CE MET A 142 89.063 62.432 64.278 1.00 26.21 C ATOM 1309 H MET A 142 91.479 65.466 60.656 1.00 0.00 H ATOM 1310 N GLU A 143 88.925 64.415 58.770 1.00 32.10 N ATOM 1311 CA GLU A 143 87.767 64.384 57.870 1.00 39.22 C ATOM 1312 C GLU A 143 88.081 63.769 56.525 1.00 40.89 C ATOM 1313 O GLU A 143 87.285 63.016 55.973 1.00 45.53 O ATOM 1314 CB GLU A 143 87.226 65.778 57.645 1.00 31.41 C ATOM 1315 CG GLU A 143 86.354 66.263 58.754 1.00 33.85 C ATOM 1316 CD GLU A 143 85.700 67.577 58.409 1.00 42.97 C ATOM 1317 OE1 GLU A 143 86.417 68.594 58.294 1.00 52.61 O ATOM 1318 OE2 GLU A 143 84.467 67.595 58.241 1.00 46.48 O ATOM 1319 H GLU A 143 89.214 65.324 59.184 1.00 0.00 H ATOM 1320 N ARG A 144 89.256 64.076 56.002 1.00 36.13 N ATOM 1321 CA ARG A 144 89.631 63.568 54.698 1.00 44.47 C ATOM 1322 C ARG A 144 89.597 62.042 54.620 1.00 40.96 C ATOM 1323 O ARG A 144 89.623 61.485 53.529 1.00 44.18 O ATOM 1324 CB ARG A 144 91.018 64.073 54.316 1.00 45.67 C ATOM 1325 CG ARG A 144 91.108 65.596 54.156 1.00 54.17 C ATOM 1326 CD ARG A 144 92.497 65.991 53.612 1.00 75.04 C ATOM 1327 NE ARG A 144 93.466 64.886 53.727 1.00 85.46 N ATOM 1328 CZ ARG A 144 93.963 64.189 52.701 1.00 83.16 C ATOM 1329 NH1 ARG A 144 93.620 64.491 51.451 1.00 80.84 N ATOM 1330 NH2 ARG A 144 94.824 63.199 52.925 1.00 67.60 N ATOM 1331 HE ARG A 144 93.788 64.629 54.682 1.00 0.00 H ATOM 1332 HH12 ARG A 144 94.011 63.944 50.658 1.00 0.00 H ATOM 1333 HH11 ARG A 144 92.961 65.274 51.267 1.00 0.00 H ATOM 1334 HH22 ARG A 144 95.211 62.656 52.127 1.00 0.00 H ATOM 1335 HH21 ARG A 144 95.110 62.968 53.898 1.00 0.00 H ATOM 1336 H ARG A 144 89.914 64.685 56.529 1.00 0.00 H ATOM 1337 N PHE A 145 89.533 61.362 55.762 1.00 29.59 N ATOM 1338 CA PHE A 145 89.542 59.906 55.730 1.00 37.14 C ATOM 1339 C PHE A 145 88.129 59.344 55.936 1.00 33.60 C ATOM 1340 O PHE A 145 87.925 58.139 55.948 1.00 36.50 O ATOM 1341 CB PHE A 145 90.528 59.356 56.765 1.00 36.33 C ATOM 1342 CG PHE A 145 91.948 59.821 56.543 1.00 39.82 C ATOM 1343 CD1 PHE A 145 92.746 59.222 55.581 1.00 40.48 C ATOM 1344 CD2 PHE A 145 92.476 60.875 57.281 1.00 37.24 C ATOM 1345 CE1 PHE A 145 94.049 59.659 55.366 1.00 43.27 C ATOM 1346 CE2 PHE A 145 93.784 61.322 57.074 1.00 36.05 C ATOM 1347 CZ PHE A 145 94.568 60.710 56.114 1.00 38.50 C ATOM 1348 H PHE A 145 89.477 61.866 56.670 1.00 0.00 H ATOM 1349 N GLY A 146 87.160 60.240 56.068 1.00 30.46 N ATOM 1350 CA GLY A 146 85.767 59.860 56.154 1.00 41.95 C ATOM 1351 C GLY A 146 85.118 59.725 54.783 1.00 47.45 C ATOM 1352 O GLY A 146 85.798 59.602 53.764 1.00 40.14 O ATOM 1353 H GLY A 146 87.410 61.249 56.111 1.00 0.00 H ATOM 1354 N SER A 147 83.792 59.748 54.767 1.00 44.17 N ATOM 1355 CA SER A 147 83.020 59.616 53.541 1.00 41.02 C ATOM 1356 C SER A 147 81.612 60.094 53.846 1.00 46.24 C ATOM 1357 O SER A 147 81.253 60.256 55.016 1.00 42.64 O ATOM 1358 CB SER A 147 83.007 58.168 53.041 1.00 41.53 C ATOM 1359 OG SER A 147 82.401 57.319 53.994 1.00 38.72 O ATOM 1360 HG SER A 147 82.909 57.362 54.843 1.00 0.00 H ATOM 1361 H SER A 147 83.284 59.865 55.667 1.00 0.00 H ATOM 1362 N ARG A 148 80.814 60.331 52.812 1.00 42.77 N ATOM 1363 CA ARG A 148 79.459 60.832 53.023 1.00 45.44 C ATOM 1364 C ARG A 148 78.615 59.840 53.846 1.00 42.02 C ATOM 1365 O ARG A 148 77.742 60.249 54.622 1.00 44.02 O ATOM 1366 CB ARG A 148 78.801 61.125 51.681 1.00 49.88 C ATOM 1367 CG ARG A 148 79.575 62.110 50.828 1.00 53.54 C ATOM 1368 CD ARG A 148 79.701 61.597 49.402 1.00 56.78 C ATOM 1369 NE ARG A 148 78.585 62.030 48.576 1.00 56.88 N ATOM 1370 CZ ARG A 148 78.065 61.316 47.581 1.00 62.28 C ATOM 1371 NH1 ARG A 148 78.555 60.117 47.294 1.00 57.54 N ATOM 1372 NH2 ARG A 148 77.050 61.800 46.876 1.00 57.19 N ATOM 1373 HE ARG A 148 78.165 62.960 48.777 1.00 0.00 H ATOM 1374 HH12 ARG A 148 78.147 59.561 46.516 1.00 0.00 H ATOM 1375 HH11 ARG A 148 79.347 59.733 47.847 1.00 0.00 H ATOM 1376 HH22 ARG A 148 76.644 61.242 46.098 1.00 0.00 H ATOM 1377 HH21 ARG A 148 76.661 62.738 47.101 1.00 0.00 H ATOM 1378 H ARG A 148 81.156 60.159 51.845 1.00 0.00 H ATOM 1379 N ASN A 149 78.901 58.545 53.709 1.00 38.29 N ATOM 1380 CA ASN A 149 78.214 57.542 54.516 1.00 48.24 C ATOM 1381 C ASN A 149 78.893 57.233 55.856 1.00 52.07 C ATOM 1382 O ASN A 149 78.348 56.473 56.659 1.00 53.35 O ATOM 1383 CB ASN A 149 78.059 56.242 53.731 1.00 46.47 C ATOM 1384 CG ASN A 149 79.374 55.554 53.478 1.00 49.62 C ATOM 1385 OD1 ASN A 149 79.900 54.862 54.350 1.00 51.59 O ATOM 1386 ND2 ASN A 149 79.908 55.721 52.270 1.00 48.83 N ATOM 1387 HD22 ASN A 149 79.426 56.316 51.566 1.00 0.00 H ATOM 1388 HD21 ASN A 149 80.807 55.257 52.030 1.00 0.00 H ATOM 1389 H ASN A 149 79.621 58.247 53.020 1.00 0.00 H ATOM 1390 N GLY A 150 80.081 57.794 56.091 1.00 44.84 N ATOM 1391 CA GLY A 150 80.706 57.727 57.406 1.00 38.69 C ATOM 1392 C GLY A 150 81.823 56.724 57.591 1.00 34.93 C ATOM 1393 O GLY A 150 82.657 56.866 58.485 1.00 42.84 O ATOM 1394 H GLY A 150 80.571 58.290 55.319 1.00 0.00 H ATOM 1395 N LYS A 151 81.828 55.695 56.760 1.00 38.94 N ATOM 1396 CA LYS A 151 82.864 54.679 56.805 1.00 44.20 C ATOM 1397 C LYS A 151 84.206 55.328 56.530 1.00 43.64 C ATOM 1398 O LYS A 151 84.294 56.236 55.701 1.00 41.69 O ATOM 1399 CB LYS A 151 82.568 53.586 55.789 1.00 39.82 C ATOM 1400 CG LYS A 151 83.386 52.343 55.945 1.00 43.02 C ATOM 1401 CD LYS A 151 82.840 51.249 55.025 1.00 55.14 C ATOM 1402 CE LYS A 151 83.657 49.971 55.120 1.00 56.92 C ATOM 1403 NZ LYS A 151 85.094 50.245 54.819 1.00 66.91 N ATOM 1404 HZ1 LYS A 151 85.178 50.630 53.856 1.00 0.00 H ATOM 1405 HZ2 LYS A 151 85.465 50.935 55.503 1.00 0.00 H ATOM 1406 HZ3 LYS A 151 85.636 49.360 54.889 1.00 0.00 H ATOM 1407 H LYS A 151 81.068 55.611 56.055 1.00 0.00 H ATOM 1408 N THR A 152 85.248 54.882 57.227 1.00 38.50 N ATOM 1409 CA THR A 152 86.560 55.522 57.102 1.00 35.35 C ATOM 1410 C THR A 152 87.485 54.708 56.211 1.00 36.32 C ATOM 1411 O THR A 152 87.458 53.472 56.222 1.00 35.29 O ATOM 1412 CB THR A 152 87.238 55.738 58.493 1.00 35.65 C ATOM 1413 OG1 THR A 152 87.530 54.471 59.100 1.00 25.11 O ATOM 1414 CG2 THR A 152 86.333 56.531 59.405 1.00 31.31 C ATOM 1415 HG1 THR A 152 87.959 54.619 59.980 1.00 0.00 H ATOM 1416 H THR A 152 85.130 54.071 57.867 1.00 0.00 H ATOM 1417 N SER A 153 88.315 55.405 55.443 1.00 40.50 N ATOM 1418 CA SER A 153 89.214 54.735 54.504 1.00 40.97 C ATOM 1419 C SER A 153 90.554 54.334 55.140 1.00 45.66 C ATOM 1420 O SER A 153 91.323 53.570 54.549 1.00 46.72 O ATOM 1421 CB SER A 153 89.445 55.628 53.288 1.00 36.07 C ATOM 1422 OG SER A 153 89.819 56.939 53.658 1.00 37.65 O ATOM 1423 HG SER A 153 89.101 57.343 54.207 1.00 0.00 H ATOM 1424 H SER A 153 88.326 56.443 55.510 1.00 0.00 H ATOM 1425 N LYS A 154 90.826 54.850 56.340 1.00 41.19 N ATOM 1426 CA LYS A 154 91.993 54.440 57.124 1.00 39.81 C ATOM 1427 C LYS A 154 91.619 54.318 58.600 1.00 39.49 C ATOM 1428 O LYS A 154 90.623 54.903 59.034 1.00 39.79 O ATOM 1429 CB LYS A 154 93.146 55.428 56.934 1.00 42.66 C ATOM 1430 CG LYS A 154 93.859 55.288 55.594 1.00 42.84 C ATOM 1431 CD LYS A 154 95.018 56.244 55.479 1.00 45.35 C ATOM 1432 CE LYS A 154 95.749 56.081 54.143 1.00 53.34 C ATOM 1433 NZ LYS A 154 96.890 57.042 54.026 1.00 54.70 N ATOM 1434 HZ1 LYS A 154 96.530 58.015 54.090 1.00 0.00 H ATOM 1435 HZ2 LYS A 154 97.567 56.870 54.797 1.00 0.00 H ATOM 1436 HZ3 LYS A 154 97.364 56.906 53.110 1.00 0.00 H ATOM 1437 H LYS A 154 90.186 55.569 56.733 1.00 0.00 H ATOM 1438 N LYS A 155 92.393 53.544 59.360 1.00 34.24 N ATOM 1439 CA LYS A 155 92.162 53.420 60.796 1.00 33.80 C ATOM 1440 C LYS A 155 92.553 54.714 61.513 1.00 34.28 C ATOM 1441 O LYS A 155 93.743 55.056 61.616 1.00 32.83 O ATOM 1442 CB LYS A 155 92.942 52.235 61.371 1.00 37.32 C ATOM 1443 CG LYS A 155 92.564 50.893 60.779 1.00 49.40 C ATOM 1444 CD LYS A 155 93.439 49.765 61.315 1.00 56.83 C ATOM 1445 CE LYS A 155 93.019 48.419 60.732 1.00 68.70 C ATOM 1446 NZ LYS A 155 93.836 47.276 61.240 1.00 76.50 N ATOM 1447 HZ1 LYS A 155 94.835 47.428 60.992 1.00 0.00 H ATOM 1448 HZ2 LYS A 155 93.739 47.215 62.274 1.00 0.00 H ATOM 1449 HZ3 LYS A 155 93.501 46.392 60.806 1.00 0.00 H ATOM 1450 H LYS A 155 93.176 53.018 58.922 1.00 0.00 H ATOM 1451 N ILE A 156 91.550 55.446 61.980 1.00 29.69 N ATOM 1452 CA ILE A 156 91.788 56.683 62.705 1.00 24.98 C ATOM 1453 C ILE A 156 91.647 56.402 64.195 1.00 33.68 C ATOM 1454 O ILE A 156 90.545 56.169 64.673 1.00 29.19 O ATOM 1455 CB ILE A 156 90.817 57.782 62.286 1.00 32.51 C ATOM 1456 CG1 ILE A 156 90.806 57.944 60.754 1.00 33.53 C ATOM 1457 CG2 ILE A 156 91.113 59.066 63.030 1.00 23.01 C ATOM 1458 CD1 ILE A 156 92.170 58.110 60.135 1.00 31.15 C ATOM 1459 H ILE A 156 90.572 55.128 61.824 1.00 0.00 H ATOM 1460 N THR A 157 92.765 56.399 64.918 1.00 29.68 N ATOM 1461 CA THR A 157 92.754 55.996 66.319 1.00 29.07 C ATOM 1462 C THR A 157 93.260 57.054 67.294 1.00 25.70 C ATOM 1463 O THR A 157 93.942 58.012 66.924 1.00 23.29 O ATOM 1464 CB THR A 157 93.597 54.735 66.547 1.00 28.12 C ATOM 1465 OG1 THR A 157 94.959 54.993 66.166 1.00 31.52 O ATOM 1466 CG2 THR A 157 93.045 53.550 65.745 1.00 29.22 C ATOM 1467 HG1 THR A 157 94.991 55.243 65.209 1.00 0.00 H ATOM 1468 H THR A 157 93.661 56.689 64.476 1.00 0.00 H ATOM 1469 N ILE A 158 92.899 56.843 68.554 1.00 25.23 N ATOM 1470 CA ILE A 158 93.392 57.617 69.668 1.00 22.10 C ATOM 1471 C ILE A 158 94.587 56.855 70.214 1.00 29.11 C ATOM 1472 O ILE A 158 94.426 55.927 71.022 1.00 24.91 O ATOM 1473 CB ILE A 158 92.289 57.819 70.749 1.00 23.33 C ATOM 1474 CG1 ILE A 158 91.091 58.586 70.164 1.00 20.14 C ATOM 1475 CG2 ILE A 158 92.839 58.562 71.980 1.00 20.72 C ATOM 1476 CD1 ILE A 158 89.823 58.529 71.025 1.00 19.19 C ATOM 1477 H ILE A 158 92.223 56.077 68.749 1.00 0.00 H ATOM 1478 N ALA A 159 95.783 57.216 69.746 1.00 22.49 N ATOM 1479 CA ALA A 159 96.998 56.488 70.137 1.00 25.90 C ATOM 1480 C ALA A 159 97.295 56.687 71.624 1.00 24.67 C ATOM 1481 O ALA A 159 97.797 55.794 72.298 1.00 23.16 O ATOM 1482 CB ALA A 159 98.184 56.927 69.293 1.00 24.84 C ATOM 1483 H ALA A 159 95.856 58.024 69.095 1.00 0.00 H ATOM 1484 N ASP A 160 96.949 57.856 72.136 1.00 23.63 N ATOM 1485 CA ASP A 160 97.158 58.156 73.539 1.00 22.22 C ATOM 1486 C ASP A 160 96.158 59.224 73.895 1.00 20.84 C ATOM 1487 O ASP A 160 95.717 59.976 73.023 1.00 20.37 O ATOM 1488 CB ASP A 160 98.596 58.652 73.819 1.00 18.74 C ATOM 1489 CG ASP A 160 99.030 58.425 75.274 1.00 27.50 C ATOM 1490 OD1 ASP A 160 98.194 58.004 76.102 1.00 29.42 O ATOM 1491 OD2 ASP A 160 100.213 58.669 75.598 1.00 34.29 O ATOM 1492 H ASP A 160 96.518 58.575 71.520 1.00 0.00 H ATOM 1493 N CYS A 161 95.805 59.298 75.166 1.00 14.91 N ATOM 1494 CA CYS A 161 94.948 60.382 75.644 1.00 22.38 C ATOM 1495 C CYS A 161 95.141 60.545 77.144 1.00 21.42 C ATOM 1496 O CYS A 161 95.661 59.648 77.802 1.00 20.26 O ATOM 1497 CB CYS A 161 93.479 60.088 75.326 1.00 21.95 C ATOM 1498 SG CYS A 161 92.951 58.421 75.840 1.00 23.76 S ATOM 1499 H CYS A 161 96.141 58.576 75.835 1.00 0.00 H ATOM 1500 N GLY A 162 94.728 61.684 77.677 1.00 19.27 N ATOM 1501 CA GLY A 162 94.906 61.954 79.086 1.00 18.02 C ATOM 1502 C GLY A 162 94.406 63.345 79.410 1.00 22.44 C ATOM 1503 O GLY A 162 93.743 63.990 78.594 1.00 20.89 O ATOM 1504 H GLY A 162 94.269 62.395 77.073 1.00 0.00 H ATOM 1505 N GLN A 163 94.703 63.793 80.619 1.00 19.83 N ATOM 1506 CA GLN A 163 94.357 65.126 81.067 1.00 20.84 C ATOM 1507 C GLN A 163 95.614 66.006 81.051 1.00 21.35 C ATOM 1508 O GLN A 163 96.705 65.529 81.381 1.00 25.86 O ATOM 1509 CB GLN A 163 93.750 65.051 82.473 1.00 17.19 C ATOM 1510 CG GLN A 163 93.141 66.354 82.983 1.00 21.41 C ATOM 1511 CD GLN A 163 92.313 66.138 84.231 1.00 23.35 C ATOM 1512 OE1 GLN A 163 92.120 65.001 84.672 1.00 22.66 O ATOM 1513 NE2 GLN A 163 91.802 67.218 84.797 1.00 21.15 N ATOM 1514 HE22 GLN A 163 91.991 68.157 84.391 1.00 0.00 H ATOM 1515 HE21 GLN A 163 91.211 67.129 85.648 1.00 0.00 H ATOM 1516 H GLN A 163 95.206 63.162 81.275 1.00 0.00 H ATOM 1517 N LEU A 164 95.465 67.261 80.633 1.00 23.59 N ATOM 1518 CA LEU A 164 96.580 68.216 80.556 1.00 28.24 C ATOM 1519 C LEU A 164 96.648 69.043 81.822 1.00 20.94 C ATOM 1520 O LEU A 164 95.595 69.243 82.422 1.00 30.87 O ATOM 1521 CB LEU A 164 96.432 69.141 79.352 1.00 23.66 C ATOM 1522 CG LEU A 164 96.660 68.509 77.976 1.00 31.89 C ATOM 1523 CD1 LEU A 164 96.431 69.522 76.851 1.00 22.71 C ATOM 1524 CD2 LEU A 164 98.058 67.912 77.885 1.00 24.62 C ATOM 1525 H LEU A 164 94.517 67.580 80.348 1.00 0.00 H TER 1526 LEU A 164 HETATM 1527 O HOH 1 71.556 50.445 62.703 1.00 47.44 O HETATM 1528 O HOH 2 70.979 57.826 85.381 1.00 43.57 O HETATM 1529 O HOH 3 98.957 56.382 78.086 1.00 39.96 O HETATM 1530 O HOH 4 94.507 64.534 55.993 1.00 39.77 O HETATM 1531 O HOH 5 88.930 55.488 82.974 1.00 27.99 O HETATM 1532 O HOH 6 73.791 58.051 87.004 1.00 37.74 O HETATM 1533 O HOH 7 85.502 66.436 85.784 1.00 26.65 O HETATM 1534 O HOH 8 77.721 54.096 66.125 1.00 22.67 O HETATM 1535 O HOH 9 103.925 61.205 61.511 1.00 31.57 O HETATM 1536 O HOH 10 101.127 59.981 71.446 1.00 22.39 O HETATM 1537 O HOH 11 83.124 76.673 66.352 1.00 38.31 O HETATM 1538 O HOH 12 70.979 59.772 75.926 1.00 20.87 O HETATM 1539 O HOH 13 88.058 58.613 52.726 1.00 45.24 O HETATM 1540 O HOH 14 78.051 71.976 66.055 1.00 36.21 O HETATM 1541 O HOH 15 72.926 75.296 67.504 1.00 31.82 O HETATM 1542 O HOH 16 73.268 62.608 74.805 1.00 23.92 O HETATM 1543 O HOH 17 64.722 57.347 79.741 1.00 25.91 O HETATM 1544 O HOH 18 86.090 50.862 87.300 1.00 31.45 O HETATM 1545 O HOH 19 87.230 56.489 69.952 1.00 22.35 O HETATM 1546 O HOH 20 82.941 67.486 86.200 1.00 23.58 O HETATM 1547 O HOH 21 105.805 56.888 62.661 1.00 33.46 O HETATM 1548 O HOH 22 73.571 77.779 75.903 1.00 42.00 O HETATM 1549 O HOH 23 84.898 53.754 68.425 1.00 20.09 O HETATM 1550 O HOH 24 95.637 54.399 63.636 1.00 28.76 O HETATM 1551 O HOH 25 83.283 65.700 60.152 1.00 44.96 O HETATM 1552 O HOH 26 74.403 48.992 70.662 1.00 32.61 O HETATM 1553 O HOH 27 72.826 64.484 86.462 1.00 33.03 O HETATM 1554 O HOH 28 71.890 69.935 72.824 1.00 24.88 O HETATM 1555 O HOH 29 85.073 59.731 88.841 1.00 36.44 O HETATM 1556 O HOH 30 67.201 63.566 81.151 1.00 29.37 O HETATM 1557 O HOH 31 88.526 48.485 76.440 1.00 44.74 O HETATM 1558 O HOH 32 96.536 58.791 81.984 1.00 43.32 O HETATM 1559 O HOH 33 90.534 71.178 86.280 1.00 40.08 O HETATM 1560 O HOH 34 73.384 70.051 75.537 1.00 24.87 O HETATM 1561 O HOH 35 86.724 74.429 61.353 1.00 41.03 O HETATM 1562 O HOH 36 93.994 74.182 64.850 1.00 54.09 O HETATM 1563 O HOH 37 93.749 51.824 83.024 1.00 32.04 O HETATM 1564 O HOH 38 70.879 62.078 88.487 1.00 34.24 O HETATM 1565 O HOH 39 74.338 63.639 80.059 1.00 21.45 O HETATM 1566 O HOH 40 97.275 53.125 71.777 1.00 38.49 O HETATM 1567 O HOH 41 84.888 53.124 59.711 1.00 37.41 O HETATM 1568 O HOH 42 92.012 56.233 78.234 1.00 25.22 O HETATM 1569 O HOH 43 65.992 54.342 73.484 1.00 35.80 O HETATM 1570 O HOH 44 80.582 61.915 78.736 1.00 20.98 O HETATM 1571 O HOH 45 66.405 63.318 77.653 1.00 26.68 O HETATM 1572 O HOH 46 88.863 54.762 61.723 1.00 22.67 O HETATM 1573 O HOH 47 93.977 63.605 86.225 1.00 34.50 O HETATM 1574 O HOH 48 100.596 67.665 63.901 1.00 38.18 O HETATM 1575 O HOH 49 77.353 78.044 85.389 1.00 53.82 O HETATM 1576 O HOH 50 94.016 70.551 58.330 1.00 39.67 O HETATM 1577 O HOH 51 68.756 62.216 74.175 1.00 35.11 O HETATM 1578 O HOH 52 79.739 72.167 88.175 1.00 36.35 O HETATM 1579 O HOH 53 77.674 75.574 73.052 1.00 40.67 O HETATM 1580 O HOH 54 76.143 50.613 73.540 1.00 37.19 O HETATM 1581 O HOH 55 101.378 65.152 61.049 1.00 37.53 O HETATM 1582 O HOH 56 76.435 69.010 58.388 1.00 40.73 O HETATM 1583 O HOH 57 90.126 67.646 87.065 1.00 28.13 O HETATM 1584 O HOH 58 97.563 59.323 79.906 1.00 44.55 O HETATM 1585 O HOH 59 99.387 69.649 74.499 1.00 26.92 O HETATM 1586 O HOH 60 86.697 74.711 68.640 1.00 37.79 O HETATM 1587 O HOH 61 70.297 56.239 82.182 1.00 31.48 O HETATM 1588 O HOH 62 78.617 54.321 74.321 1.00 22.75 O HETATM 1589 O HOH 63 99.560 65.399 81.175 1.00 25.87 O HETATM 1590 O HOH 64 91.265 46.836 83.479 1.00 25.48 O HETATM 1591 O HOH 65 87.242 51.456 68.543 1.00 24.95 O HETATM 1592 O HOH 66 99.249 60.643 60.173 1.00 33.08 O HETATM 1593 O HOH 67 92.199 55.440 89.849 1.00 26.69 O HETATM 1594 O HOH 68 71.948 70.123 84.972 1.00 35.45 O HETATM 1595 O HOH 69 94.769 50.820 68.451 1.00 43.04 O HETATM 1596 O HOH 70 65.587 55.259 76.168 1.00 31.55 O HETATM 1597 O HOH 71 74.060 54.419 73.724 1.00 35.49 O HETATM 1598 O HOH 72 73.644 55.786 85.548 1.00 36.58 O HETATM 1599 O HOH 73 85.362 72.048 60.082 1.00 49.45 O HETATM 1600 O HOH 74 99.503 61.416 67.554 1.00 38.10 O HETATM 1601 O HOH 75 91.973 51.729 76.919 1.00 28.54 O HETATM 1602 O HOH 76 67.713 72.711 72.889 1.00 40.27 O HETATM 1603 O HOH 77 78.766 50.765 63.577 1.00 41.93 O HETATM 1604 O HOH 78 74.652 70.939 77.793 1.00 24.92 O HETATM 1605 O HOH 79 95.578 72.754 74.863 1.00 29.84 O HETATM 1606 O HOH 80 92.834 69.576 83.308 1.00 23.49 O HETATM 1607 O HOH 81 88.375 68.884 56.146 1.00 42.14 O HETATM 1608 O HOH 82 67.999 71.497 79.603 1.00 39.04 O HETATM 1609 O HOH 83 97.002 53.803 67.891 1.00 52.61 O HETATM 1610 O HOH 84 83.303 42.916 68.801 1.00 51.06 O HETATM 1611 O HOH 85 84.660 74.465 86.522 1.00 46.29 O HETATM 1612 O HOH 86 96.303 62.068 82.371 1.00 28.10 O HETATM 1613 O HOH 87 86.446 71.032 87.328 1.00 41.31 O HETATM 1614 O HOH 88 68.325 75.284 68.860 1.00 39.40 O HETATM 1615 O HOH 89 81.007 77.424 67.708 1.00 36.62 O HETATM 1616 O HOH 90 75.383 77.027 73.684 1.00 26.67 O HETATM 1617 O HOH 91 74.344 73.212 85.288 1.00 35.46 O HETATM 1618 O HOH 92 87.744 77.487 81.250 1.00 42.32 O HETATM 1619 O HOH 93 86.830 77.077 83.611 1.00 38.78 O HETATM 1620 O HOH 94 80.470 64.172 53.352 1.00 42.23 O HETATM 1621 O HOH 95 78.334 43.827 68.778 1.00 47.65 O HETATM 1622 O HOH 96 92.471 72.755 82.455 1.00 41.33 O HETATM 1623 O HOH 97 92.386 57.003 52.158 1.00 42.42 O HETATM 1624 O HOH 98 89.549 75.676 81.248 1.00 41.36 O HETATM 1625 O HOH 99 94.371 56.962 78.988 1.00 23.64 O HETATM 1626 O HOH 100 64.526 62.358 79.615 1.00 22.44 O HETATM 1627 O HOH 101 76.547 62.796 53.603 1.00 54.75 O HETATM 1628 O HOH 102 95.237 74.746 67.231 1.00 36.89 O HETATM 1629 O HOH 103 78.781 75.844 88.169 1.00 48.19 O HETATM 1630 O HOH 104 84.019 78.318 79.347 1.00 49.35 O HETATM 1631 O HOH 105 97.117 70.847 69.067 1.00 41.39 O HETATM 1632 O HOH 106 89.612 50.072 77.645 1.00 26.46 O HETATM 1633 O HOH 107 92.148 51.701 80.925 1.00 35.73 O HETATM 1634 O HOH 108 66.772 52.844 77.619 1.00 43.23 O HETATM 1635 O HOH 109 79.516 78.447 63.553 1.00 42.96 O HETATM 1636 O HOH 110 74.386 69.202 86.801 1.00 37.22 O HETATM 1637 O HOH 111 98.575 74.195 69.188 1.00 50.18 O HETATM 1638 O HOH 112 90.711 50.340 73.145 1.00 40.05 O HETATM 1639 O HOH 113 90.750 50.327 67.345 1.00 47.49 O HETATM 1640 O HOH 114 77.889 67.135 55.262 1.00 44.98 O HETATM 1641 O HOH 115 99.448 56.749 57.287 1.00 43.03 O HETATM 1642 O HOH 116 92.045 74.823 67.227 1.00 42.65 O HETATM 1643 O HOH 117 67.119 54.833 79.441 1.00 44.65 O HETATM 1644 O HOH 118 79.259 71.745 56.446 1.00 44.76 O HETATM 1645 O HOH 119 88.661 53.714 89.998 1.00 30.03 O HETATM 1646 O HOH 120 84.717 50.968 67.219 1.00 38.83 O HETATM 1647 O HOH 121 94.594 67.421 55.533 1.00 45.41 O HETATM 1648 O HOH 122 71.762 60.061 89.563 1.00 32.45 O HETATM 1649 O HOH 123 65.050 68.700 74.498 1.00 36.09 O HETATM 1650 O HOH 124 80.221 58.254 50.086 1.00 54.03 O HETATM 1651 O HOH 125 96.201 70.175 71.091 1.00 36.02 O HETATM 1652 O HOH 126 70.622 66.355 86.244 1.00 41.64 O HETATM 1653 O HOH 127 96.106 51.957 63.710 1.00 43.27 O HETATM 1654 O HOH 128 68.926 64.696 84.626 1.00 40.55 O HETATM 1655 O HOH 129 101.083 62.462 59.116 1.00 43.00 O HETATM 1656 O HOH 130 92.164 53.476 78.998 1.00 22.16 O HETATM 1657 O HOH 131 95.574 53.571 82.817 1.00 45.66 O HETATM 1658 O HOH 132 66.370 63.551 73.898 1.00 42.32 O HETATM 1659 O HOH 133 73.283 78.190 67.981 1.00 45.47 O HETATM 1660 O HOH 134 70.999 55.263 85.534 1.00 50.83 O HETATM 1661 O HOH 135 67.528 74.868 70.895 1.00 48.80 O HETATM 1662 O HOH 136 99.282 73.157 72.083 1.00 38.20 O HETATM 1663 O HOH 137 102.053 69.588 73.394 1.00 28.78 O HETATM 1664 O HOH 138 80.795 52.004 61.821 1.00 45.67 O HETATM 1665 O HOH 139 96.636 55.477 80.046 1.00 39.28 O HETATM 1666 O HOH 140 82.502 57.528 89.776 1.00 43.99 O HETATM 1667 O HOH 141 92.272 49.410 79.666 1.00 38.96 O HETATM 1668 O HOH 142 82.072 59.244 49.474 1.00 38.88 O HETATM 1669 O HOH 143 95.994 51.000 73.742 1.00 41.28 O HETATM 1670 O HOH 144 72.400 50.357 71.253 1.00 39.02 O HETATM 1671 O HOH 145 88.832 76.127 67.995 1.00 51.61 O HETATM 1672 O HOH 146 93.055 47.267 81.442 1.00 34.17 O HETATM 1673 O HOH 147 93.132 68.706 55.905 1.00 50.51 O HETATM 1674 O HOH 148 87.218 75.968 66.858 1.00 61.87 O HETATM 1675 O HOH 149 97.435 71.022 73.043 1.00 38.85 O HETATM 1676 O HOH 150 100.081 67.102 59.813 1.00 43.66 O HETATM 1677 O HOH 151 93.132 75.676 65.409 1.00 51.13 O HETATM 1678 O HOH 152 71.194 57.663 88.206 1.00 34.02 O HETATM 1679 O HOH 153 96.288 52.527 69.289 1.00 43.70 O HETATM 1680 O HOH 154 76.122 53.248 74.598 1.00 36.19 O HETATM 1681 O HOH 155 88.008 79.772 84.655 1.00 48.52 O HETATM 1682 O HOH 156 78.524 47.673 78.759 1.00 54.74 O HETATM 1683 O HOH 157 89.001 51.675 62.008 1.00 45.39 O HETATM 1684 O HOH 158 87.344 68.056 87.072 1.00 33.19 O HETATM 1685 O HOH 159 73.664 46.776 68.782 1.00 36.86 O HETATM 1686 O HOH 160 69.138 77.993 69.234 1.00 52.27 O HETATM 1687 O HOH 161 86.652 76.250 62.773 1.00 47.06 O HETATM 1688 O HOH 162 84.185 71.231 88.528 1.00 34.71 O HETATM 1689 O HOH 163 96.267 62.503 84.736 1.00 36.69 O HETATM 1690 O HOH 164 104.891 63.906 61.214 1.00 33.29 O HETATM 1691 O HOH 165 80.828 74.536 89.565 1.00 44.15 O HETATM 1692 O HOH 166 65.669 71.304 74.460 1.00 36.95 O HETATM 1693 O HOH 167 94.915 53.106 79.530 1.00 38.56 O HETATM 1694 O HOH 168 80.527 76.477 73.850 1.00 50.75 O HETATM 1695 O HOH 169 104.055 65.718 61.496 1.00 41.35 O HETATM 1696 O HOH 170 73.038 51.681 73.715 1.00 38.87 O HETATM 1697 O HOH 171 73.966 79.211 72.091 1.00 43.46 O HETATM 1698 O HOH 172 84.724 78.422 63.866 1.00 52.28 O HETATM 1699 O HOH 173 93.148 47.841 76.185 1.00 50.41 O HETATM 1700 C1 UNN A 174 72.835 51.662 66.857 1.00 0.07 C HETATM 1701 C2 UNN A 174 73.449 51.990 65.448 1.00 0.08 C HETATM 1702 C3 UNN A 174 72.741 53.137 64.657 1.00 0.02 C HETATM 1703 C4 UNN A 174 73.369 53.295 63.229 1.00 0.09 C HETATM 1704 C5 UNN A 174 72.763 54.513 62.571 1.00 -0.06 C HETATM 1705 C29 UNN A 174 73.521 55.470 62.033 1.00 -0.09 C HETATM 1706 C28 UNN A 174 73.027 56.675 61.410 1.00 -0.09 C HETATM 1707 C27 UNN A 174 73.925 57.533 60.913 1.00 -0.08 C HETATM 1708 C26 UNN A 174 73.639 58.833 60.245 1.00 0.00 C HETATM 1709 C25 UNN A 174 74.656 59.865 60.754 1.00 0.09 C HETATM 1710 O1 UNN A 174 74.365 60.251 62.116 1.00 -0.27 O HETATM 1711 C10 UNN A 174 75.218 59.728 63.047 1.00 0.28 C HETATM 1712 C9 UNN A 174 74.855 60.197 64.454 1.00 0.10 C HETATM 1713 C6 UNN A 174 75.278 61.652 64.736 1.00 0.01 C HETATM 1714 C7 UNN A 174 75.217 62.043 66.220 1.00 -0.02 C HETATM 1715 C8 UNN A 174 75.792 60.949 67.115 1.00 0.07 C HETATM 1716 N2 UNN A 174 75.186 59.665 66.752 1.00 -0.24 N HETATM 1717 N3 UNN A 174 75.365 59.201 65.435 1.00 0.38 N HETATM 1718 H12 UNN A 174 74.864 58.334 65.318 1.00 0.23 H HETATM 1719 H13 UNN A 174 76.347 59.046 65.269 1.00 0.23 H HETATM 1720 C11 UNN A 174 74.437 58.938 67.641 1.00 0.24 C HETATM 1721 C12 UNN A 174 73.814 57.624 67.162 1.00 0.14 C HETATM 1722 C13 UNN A 174 72.309 57.722 66.841 1.00 0.02 C HETATM 1723 C14 UNN A 174 71.888 58.903 66.027 1.00 -0.05 C HETATM 1724 C15 UNN A 174 71.860 58.848 64.619 1.00 -0.07 C HETATM 1725 C16 UNN A 174 71.483 59.984 63.886 1.00 -0.08 C HETATM 1726 C17 UNN A 174 71.129 61.158 64.571 1.00 -0.04 C HETATM 1727 C18 UNN A 174 71.145 61.206 65.963 1.00 0.08 C HETATM 1728 C19 UNN A 174 71.530 60.077 66.694 1.00 -0.03 C HETATM 1729 H49 UNN A 174 71.550 60.113 67.777 1.00 0.05 H HETATM 1730 O4 UNN A 174 70.769 62.363 66.601 1.00 -0.33 O HETATM 1731 H50 UNN A 174 71.489 62.678 67.135 1.00 0.25 H HETATM 1732 H48 UNN A 174 70.840 62.038 64.009 1.00 0.05 H HETATM 1733 H47 UNN A 174 71.465 59.956 62.803 1.00 0.06 H HETATM 1734 H46 UNN A 174 72.128 57.932 64.105 1.00 0.05 H HETATM 1735 H44 UNN A 174 71.763 57.759 67.795 1.00 0.05 H HETATM 1736 H45 UNN A 174 72.023 56.814 66.290 1.00 0.05 H HETATM 1737 N4 UNN A 174 73.989 56.470 67.990 1.00 -0.26 N HETATM 1738 C20 UNN A 174 74.926 55.491 67.893 1.00 0.20 C HETATM 1739 C21 UNN A 174 74.763 54.336 68.878 1.00 0.13 C HETATM 1740 N1 UNN A 174 74.363 53.274 67.949 1.00 -0.27 N HETATM 1741 C30 UNN A 174 73.064 52.748 67.921 1.00 0.18 C HETATM 1742 O6 UNN A 174 72.177 53.136 68.662 1.00 -0.40 O HETATM 1743 H34 UNN A 174 75.043 52.911 67.311 1.00 0.19 H HETATM 1744 C22 UNN A 174 75.986 54.118 69.790 1.00 -0.01 C HETATM 1745 C23 UNN A 174 76.226 55.377 70.639 1.00 -0.06 C HETATM 1746 H37 UNN A 174 77.099 55.220 71.289 1.00 0.02 H HETATM 1747 H38 UNN A 174 75.339 55.576 71.258 1.00 0.02 H HETATM 1748 H39 UNN A 174 76.412 56.236 69.977 1.00 0.02 H HETATM 1749 C24 UNN A 174 75.756 52.889 70.667 1.00 -0.06 C HETATM 1750 H40 UNN A 174 75.588 52.009 70.028 1.00 0.02 H HETATM 1751 H41 UNN A 174 74.874 53.053 71.304 1.00 0.02 H HETATM 1752 H42 UNN A 174 76.640 52.719 71.300 1.00 0.02 H HETATM 1753 H36 UNN A 174 76.873 53.942 69.164 1.00 0.03 H HETATM 1754 H35 UNN A 174 73.920 54.543 69.553 1.00 0.08 H HETATM 1755 O5 UNN A 174 75.813 55.541 67.028 1.00 -0.39 O HETATM 1756 H51 UNN A 174 73.335 56.371 68.740 1.00 0.19 H HETATM 1757 H43 UNN A 174 74.327 57.400 66.215 1.00 0.08 H HETATM 1758 O3 UNN A 174 74.227 59.296 68.808 1.00 -0.39 O HETATM 1759 H10 UNN A 174 75.567 61.178 68.167 1.00 0.06 H HETATM 1760 H11 UNN A 174 76.882 60.894 66.976 1.00 0.06 H HETATM 1761 H8 UNN A 174 74.168 62.218 66.500 1.00 0.03 H HETATM 1762 H9 UNN A 174 75.795 62.967 66.370 1.00 0.03 H HETATM 1763 H6 UNN A 174 76.312 61.786 64.385 1.00 0.03 H HETATM 1764 H7 UNN A 174 74.610 62.322 64.174 1.00 0.03 H HETATM 1765 H14 UNN A 174 73.757 60.182 64.527 1.00 0.11 H HETATM 1766 O2 UNN A 174 76.139 58.983 62.759 1.00 -0.36 O HETATM 1767 H15 UNN A 174 75.664 59.427 60.712 1.00 0.06 H HETATM 1768 H16 UNN A 174 74.616 60.757 60.111 1.00 0.06 H HETATM 1769 H17 UNN A 174 73.735 58.721 59.155 1.00 0.05 H HETATM 1770 H18 UNN A 174 72.619 59.162 60.491 1.00 0.05 H HETATM 1771 H19 UNN A 174 74.973 57.252 61.007 1.00 0.06 H HETATM 1772 H20 UNN A 174 71.959 56.879 61.347 1.00 0.04 H HETATM 1773 H21 UNN A 174 74.601 55.331 62.066 1.00 0.04 H HETATM 1774 H5 UNN A 174 71.679 54.612 62.535 1.00 0.06 H HETATM 1775 O7 UNN A 174 73.137 52.102 62.463 1.00 -0.37 O HETATM 1776 C33 UNN A 174 74.070 51.906 61.404 1.00 0.04 C HETATM 1777 H28 UNN A 174 73.826 50.977 60.868 1.00 0.05 H HETATM 1778 H29 UNN A 174 75.086 51.834 61.819 1.00 0.05 H HETATM 1779 H30 UNN A 174 74.018 52.756 60.707 1.00 0.05 H HETATM 1780 H4 UNN A 174 74.454 53.446 63.324 1.00 0.08 H HETATM 1781 C32 UNN A 174 72.721 54.521 65.354 1.00 -0.06 C HETATM 1782 H25 UNN A 174 72.282 54.420 66.357 1.00 0.02 H HETATM 1783 H26 UNN A 174 72.118 55.223 64.759 1.00 0.02 H HETATM 1784 H27 UNN A 174 73.749 54.903 65.441 1.00 0.02 H HETATM 1785 H3 UNN A 174 71.693 52.829 64.531 1.00 0.04 H HETATM 1786 O8 UNN A 174 74.855 52.307 65.518 1.00 -0.38 O HETATM 1787 C34 UNN A 174 75.699 51.387 64.819 1.00 0.04 C HETATM 1788 H31 UNN A 174 76.748 51.701 64.923 1.00 0.05 H HETATM 1789 H32 UNN A 174 75.424 51.373 63.754 1.00 0.05 H HETATM 1790 H33 UNN A 174 75.574 50.380 65.243 1.00 0.05 H HETATM 1791 H2 UNN A 174 73.344 51.074 64.849 1.00 0.06 H HETATM 1792 C31 UNN A 174 73.409 50.369 67.452 1.00 -0.04 C HETATM 1793 H22 UNN A 174 72.951 50.182 68.434 1.00 0.03 H HETATM 1794 H23 UNN A 174 74.498 50.471 67.569 1.00 0.03 H HETATM 1795 H24 UNN A 174 73.190 49.527 66.779 1.00 0.03 H HETATM 1796 H1 UNN A 174 71.751 51.538 66.717 1.00 0.06 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1700 1701 1741 1792 1796 CONECT 1701 1700 1702 1786 1791 CONECT 1702 1701 1703 1781 1785 CONECT 1703 1702 1704 1775 1780 CONECT 1704 1703 1705 1774 CONECT 1705 1704 1706 1773 CONECT 1706 1705 1707 1772 CONECT 1707 1706 1708 1771 CONECT 1708 1707 1709 1769 1770 CONECT 1709 1708 1710 1767 1768 CONECT 1710 1709 1711 CONECT 1711 1710 1712 1766 CONECT 1712 1711 1713 1717 1765 CONECT 1713 1712 1714 1763 1764 CONECT 1714 1713 1715 1761 1762 CONECT 1715 1714 1716 1759 1760 CONECT 1716 1715 1717 1720 CONECT 1717 1712 1716 1718 1719 CONECT 1718 1717 CONECT 1719 1717 CONECT 1720 1716 1721 1758 CONECT 1721 1720 1722 1737 1757 CONECT 1722 1721 1723 1735 1736 CONECT 1723 1722 1724 1728 CONECT 1724 1723 1725 1734 CONECT 1725 1724 1726 1733 CONECT 1726 1725 1727 1732 CONECT 1727 1726 1728 1730 CONECT 1728 1723 1727 1729 CONECT 1729 1728 CONECT 1730 1727 1731 CONECT 1731 1730 CONECT 1732 1726 CONECT 1733 1725 CONECT 1734 1724 CONECT 1735 1722 CONECT 1736 1722 CONECT 1737 1721 1738 1756 CONECT 1738 1737 1739 1755 CONECT 1739 1738 1740 1744 1754 CONECT 1740 1739 1741 1743 CONECT 1741 1700 1740 1742 CONECT 1742 1741 CONECT 1743 1740 CONECT 1744 1739 1745 1749 1753 CONECT 1745 1744 1746 1747 1748 CONECT 1746 1745 CONECT 1747 1745 CONECT 1748 1745 CONECT 1749 1744 1750 1751 1752 CONECT 1750 1749 CONECT 1751 1749 CONECT 1752 1749 CONECT 1753 1744 CONECT 1754 1739 CONECT 1755 1738 CONECT 1756 1737 CONECT 1757 1721 CONECT 1758 1720 CONECT 1759 1715 CONECT 1760 1715 CONECT 1761 1714 CONECT 1762 1714 CONECT 1763 1713 CONECT 1764 1713 CONECT 1765 1712 CONECT 1766 1711 CONECT 1767 1709 CONECT 1768 1709 CONECT 1769 1708 CONECT 1770 1708 CONECT 1771 1707 CONECT 1772 1706 CONECT 1773 1705 CONECT 1774 1704 CONECT 1775 1703 1776 CONECT 1776 1775 1777 1778 1779 CONECT 1777 1776 CONECT 1778 1776 CONECT 1779 1776 CONECT 1780 1703 CONECT 1781 1702 1782 1783 1784 CONECT 1782 1781 CONECT 1783 1781 CONECT 1784 1781 CONECT 1785 1702 CONECT 1786 1701 1787 CONECT 1787 1786 1788 1789 1790 CONECT 1788 1787 CONECT 1789 1787 CONECT 1790 1787 CONECT 1791 1701 CONECT 1792 1700 1793 1794 1795 CONECT 1793 1792 CONECT 1794 1792 CONECT 1795 1792 CONECT 1796 1700 MASTER 0 0 0 0 0 0 0 0 1795 1 101 13 END
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Structure:
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Related entries of code: 5t9u
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
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PDBbind
165aa, >1AK4_1|Chains... at 100%
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1w8l
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165aa, >1W8L_1|Chain... at 100%
1w8m
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PDBbind
165aa, >1W8M_1|Chain... at 100%
1ynd
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PDBbind
165aa, >1YND_1|Chains... at 100%
2ms4
RCSB PDB
PDBbind
165aa, >2MS4_1|Chain... at 100%
2x2d
RCSB PDB
PDBbind
165aa, >2X2D_1|Chains... at 100%
4dgb
RCSB PDB
PDBbind
165aa, >4DGB_1|Chain... at 98%
4dge
RCSB PDB
PDBbind
165aa, >4DGE_1|Chains... at 98%
5lud
RCSB PDB
PDBbind
165aa, >5LUD_1|Chain... at 100%
5t9w
RCSB PDB
PDBbind
164aa, >5T9W_1|Chain... at 100%
5t9z
RCSB PDB
PDBbind
163aa, >5T9Z_1|Chain... at 100%
5ta2
RCSB PDB
PDBbind
163aa, >5TA2_1|Chain... at 100%
5ta4
RCSB PDB
PDBbind
164aa, >5TA4_1|Chain... at 100%
6gji
RCSB PDB
PDBbind
165aa, >6GJI_1|Chain... at 100%
6gjj
RCSB PDB
PDBbind
165aa, >6GJJ_1|Chain... at 100%
6gjl
RCSB PDB
PDBbind
165aa, >6GJL_1|Chain... at 100%
6gjm
RCSB PDB
PDBbind
165aa, >6GJM_1|Chain... at 100%
6gjn
RCSB PDB
PDBbind
165aa, >6GJN_1|Chain... at 100%
6gjr
RCSB PDB
PDBbind
165aa, >6GJR_1|Chain... at 100%
6gjy
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PDBbind
165aa, >6GJY_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5t9u
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Cyclophilin A
Ligand Name
7HG
EC.Number
E.C.-.-.-.-
Resolution
2.3(Å)
Affinity (Kd/Ki/IC50)
Kd=25nM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) J. Med. Chem. Vol. 60: pp. 1000-1017
Ligand Properties
Formula
C
3
4
H
5
1
N
4
O
8
Molecular Weight
643.791
Exact Mass
643.371
No. of atoms
97
No. of bonds
99
Polar Surface Area
160.11
LOGP Value
4.21 (
Computed with XLOGP3
)
3.56 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 12
No. of Rings: 3
Canonical SMILES
CO[C@H]1/C=C/C=C/CCOC(=O)[C@@H]2CCCN([NH2+]2)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]([C@@H]([C@H]1C)OC)C)C(C)C)Cc1cccc(c1)O
InChI String
InChI=1S/C34H50N4O8/c1-21(2)29-32(41)35-27(20-24-13-11-14-25(39)19-24)33(42)38-17-12-15-26(37-38)34(43)46-18-10-8-7-9-16-28(44-5)22(3)30(45-6)23(4)31(40)36-29/h7-9,11,13-14,16,19,21-23,26-30,37,39H,10,12,15,17-18,20H2,1-6H3,(H,35,41)(H,36,40)/p+1/b8-7+,16-9+/t22-,23+,26-,27-,28-,29-,30+/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):
P62937
Entrez Gene ID
NCBI Entrez Gene ID:
5478
ASD
Information of known allosteric effects of PDB entries
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