Browse entries in the PDBbind-CN Database
HEADER 5HHX_COMPLEX COMPND 5HHX_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 68 ASN PRO LYS ARG SER SER ASP TYR TYR ASN ARG SER THR SEQRES 2 A 68 SER PRO TRP ASN LEU HIS ARG ASN GLU ASP PRO GLU ARG SEQRES 3 A 68 TYR PRO SER VAL ILE TRP GLU ALA LYS CYS ARG HIS LEU SEQRES 4 A 68 GLY CYS ILE ASN ALA ASP GLY ASN VAL ASP TYR HIS MET SEQRES 5 A 68 ASN SER VAL PRO ILE GLN GLN GLU ILE LEU VAL LEU ARG SEQRES 6 A 68 ARG GLU PRO SEQRES 1 A 22 PRO ASN SER PHE ARG LEU GLU LYS ILE LEU VAL SER VAL SEQRES 2 A 22 GLY CYS THR CYS VAL THR PRO ILE VAL SEQRES 1 C 68 ASN PRO LYS ARG SER SER ASP TYR TYR ASN ARG SER THR SEQRES 2 C 68 SER PRO TRP ASN LEU HIS ARG ASN GLU ASP PRO GLU ARG SEQRES 3 C 68 TYR PRO SER VAL ILE TRP GLU ALA LYS CYS ARG HIS LEU SEQRES 4 C 68 GLY CYS ILE ASN ALA ASP GLY ASN VAL ASP TYR HIS MET SEQRES 5 C 68 ASN SER VAL PRO ILE GLN GLN GLU ILE LEU VAL LEU ARG SEQRES 6 C 68 ARG GLU PRO SEQRES 1 C 22 PRO ASN SER PHE ARG LEU GLU LYS ILE LEU VAL SER VAL SEQRES 2 C 22 GLY CYS THR CYS VAL THR PRO ILE VAL HET ILE A 183 236 SSBOND 1 CYS A 71 CYS A 121 SSBOND 2 CYS A 76 CYS A 123 SSBOND 3 CYS C 71 CYS C 121 SSBOND 4 CYS C 76 CYS C 123 ATOM 1 N ASN A 36 86.874 -54.815 74.447 1.00151.19 N ATOM 2 CA ASN A 36 88.141 -54.089 74.453 1.00151.17 C ATOM 3 C ASN A 36 87.917 -52.545 74.326 1.00153.41 C ATOM 4 O ASN A 36 87.482 -52.064 73.266 1.00153.72 O ATOM 5 CB ASN A 36 89.107 -54.652 73.366 1.00152.19 C ATOM 6 CG ASN A 36 90.593 -54.350 73.532 1.00165.43 C ATOM 7 OD1 ASN A 36 91.143 -54.289 74.641 1.00152.62 O ATOM 8 ND2 ASN A 36 91.296 -54.228 72.412 1.00158.81 N ATOM 9 HD22 ASN A 36 90.818 -54.282 71.490 1.00 0.00 H ATOM 10 HD21 ASN A 36 92.324 -54.079 72.457 1.00 0.00 H ATOM 11 HN3 ASN A 36 86.372 -54.626 73.556 1.00 0.00 H ATOM 12 HN2 ASN A 36 86.291 -54.499 75.248 1.00 0.00 H ATOM 13 HN1 ASN A 36 87.060 -55.835 74.533 1.00 0.00 H ATOM 14 N PRO A 37 88.175 -51.758 75.411 1.00146.98 N ATOM 15 CA PRO A 37 88.042 -50.298 75.302 1.00145.86 C ATOM 16 C PRO A 37 89.239 -49.701 74.555 1.00149.22 C ATOM 17 O PRO A 37 89.101 -48.604 74.022 1.00150.04 O ATOM 18 CB PRO A 37 87.945 -49.824 76.754 1.00145.99 C ATOM 19 CG PRO A 37 88.071 -51.070 77.607 1.00149.89 C ATOM 20 CD PRO A 37 88.670 -52.132 76.748 1.00147.01 C ATOM 21 N LYS A 38 90.383 -50.463 74.425 1.00144.08 N ATOM 22 CA LYS A 38 91.598 -50.124 73.635 1.00144.36 C ATOM 23 C LYS A 38 91.153 -49.867 72.158 1.00146.78 C ATOM 24 O LYS A 38 91.838 -49.188 71.388 1.00147.77 O ATOM 25 CB LYS A 38 92.613 -51.299 73.691 1.00146.28 C ATOM 26 CG LYS A 38 94.094 -50.920 73.863 1.00143.55 C ATOM 27 CD LYS A 38 94.749 -50.208 72.654 1.00149.05 C ATOM 28 CE LYS A 38 94.913 -51.027 71.386 1.00150.94 C ATOM 29 NZ LYS A 38 95.373 -50.191 70.238 1.00150.21 N ATOM 30 HZ1 LYS A 38 94.675 -49.442 70.054 1.00 0.00 H ATOM 31 HZ2 LYS A 38 96.291 -49.761 70.470 1.00 0.00 H ATOM 32 HZ3 LYS A 38 95.472 -50.789 69.393 1.00 0.00 H ATOM 33 H LYS A 38 90.397 -51.370 74.933 1.00 0.00 H ATOM 34 N ARG A 39 89.946 -50.394 71.831 1.00140.41 N ATOM 35 CA ARG A 39 89.178 -50.323 70.593 1.00139.88 C ATOM 36 C ARG A 39 87.894 -49.444 70.762 1.00137.39 C ATOM 37 O ARG A 39 87.403 -48.912 69.753 1.00139.35 O ATOM 38 CB ARG A 39 88.752 -51.744 70.175 1.00140.82 C ATOM 39 CG ARG A 39 89.830 -52.595 69.514 1.00152.89 C ATOM 40 CD ARG A 39 89.500 -54.081 69.595 1.00160.70 C ATOM 41 NE ARG A 39 88.128 -54.396 69.179 1.00166.13 N ATOM 42 CZ ARG A 39 87.792 -54.922 68.003 1.00176.70 C ATOM 43 NH1 ARG A 39 86.521 -55.179 67.722 1.00161.10 N ATOM 44 NH2 ARG A 39 88.729 -55.205 67.101 1.00158.94 N ATOM 45 HE ARG A 39 87.362 -54.193 69.853 1.00 0.00 H ATOM 46 HH12 ARG A 39 86.265 -55.590 66.802 1.00 0.00 H ATOM 47 HH11 ARG A 39 85.781 -54.970 68.422 1.00 0.00 H ATOM 48 HH22 ARG A 39 88.461 -55.616 66.184 1.00 0.00 H ATOM 49 HH21 ARG A 39 89.729 -55.015 67.313 1.00 0.00 H ATOM 50 H ARG A 39 89.492 -50.940 72.591 1.00 0.00 H ATOM 51 N SER A 40 87.327 -49.328 72.001 1.00125.54 N ATOM 52 CA SER A 40 86.095 -48.552 72.223 1.00122.26 C ATOM 53 C SER A 40 86.318 -47.127 72.720 1.00120.27 C ATOM 54 O SER A 40 85.841 -46.207 72.064 1.00121.32 O ATOM 55 CB SER A 40 85.123 -49.285 73.143 1.00124.11 C ATOM 56 OG SER A 40 83.945 -48.520 73.347 1.00128.41 O ATOM 57 HG SER A 40 83.331 -49.015 73.946 1.00 0.00 H ATOM 58 H SER A 40 87.779 -49.801 72.810 1.00 0.00 H ATOM 59 N SER A 41 86.969 -46.944 73.892 1.00110.44 N ATOM 60 CA SER A 41 87.256 -45.636 74.484 1.00108.30 C ATOM 61 C SER A 41 88.758 -45.375 74.570 1.00108.76 C ATOM 62 O SER A 41 89.501 -46.166 75.144 1.00108.54 O ATOM 63 CB SER A 41 86.601 -45.498 75.859 1.00109.51 C ATOM 64 OG SER A 41 87.453 -44.911 76.835 1.00114.64 O ATOM 65 HG SER A 41 88.262 -45.471 76.945 1.00 0.00 H ATOM 66 H SER A 41 87.287 -47.790 74.407 1.00 0.00 H ATOM 67 N ASP A 42 89.194 -44.240 74.047 1.00103.53 N ATOM 68 CA ASP A 42 90.601 -43.876 74.084 1.00103.04 C ATOM 69 C ASP A 42 90.965 -42.946 75.257 1.00105.79 C ATOM 70 O ASP A 42 92.032 -42.321 75.206 1.00107.93 O ATOM 71 CB ASP A 42 91.029 -43.280 72.737 1.00106.82 C ATOM 72 CG ASP A 42 90.717 -41.807 72.522 1.00112.35 C ATOM 73 OD1 ASP A 42 89.579 -41.377 72.849 1.00109.62 O ATOM 74 OD2 ASP A 42 91.616 -41.080 72.066 1.00119.79 O ATOM 75 H ASP A 42 88.514 -43.593 73.599 1.00 0.00 H ATOM 76 N TYR A 43 90.110 -42.860 76.314 1.00 98.00 N ATOM 77 CA TYR A 43 90.405 -41.998 77.470 1.00 97.14 C ATOM 78 C TYR A 43 91.771 -42.331 78.121 1.00101.29 C ATOM 79 O TYR A 43 92.493 -41.417 78.537 1.00101.93 O ATOM 80 CB TYR A 43 89.318 -42.090 78.574 1.00 94.99 C ATOM 81 CG TYR A 43 87.977 -41.477 78.264 1.00 93.82 C ATOM 82 CD1 TYR A 43 87.869 -40.374 77.432 1.00 97.78 C ATOM 83 CD2 TYR A 43 86.816 -41.979 78.837 1.00 92.71 C ATOM 84 CE1 TYR A 43 86.626 -39.817 77.126 1.00100.76 C ATOM 85 CE2 TYR A 43 85.567 -41.428 78.548 1.00 94.56 C ATOM 86 CZ TYR A 43 85.473 -40.350 77.682 1.00104.88 C ATOM 87 OH TYR A 43 84.243 -39.793 77.389 1.00104.53 O ATOM 88 HH TYR A 43 84.365 -39.039 76.759 1.00 0.00 H ATOM 89 H TYR A 43 89.231 -43.415 76.304 1.00 0.00 H ATOM 90 N TYR A 44 92.110 -43.638 78.216 1.00 95.86 N ATOM 91 CA TYR A 44 93.344 -44.106 78.846 1.00 95.07 C ATOM 92 C TYR A 44 94.549 -43.274 78.478 1.00100.47 C ATOM 93 O TYR A 44 95.380 -43.012 79.330 1.00100.81 O ATOM 94 CB TYR A 44 93.607 -45.611 78.585 1.00 95.19 C ATOM 95 CG TYR A 44 93.922 -45.976 77.152 1.00 98.27 C ATOM 96 CD1 TYR A 44 92.939 -46.487 76.308 1.00 99.65 C ATOM 97 CD2 TYR A 44 95.218 -45.877 76.657 1.00101.28 C ATOM 98 CE1 TYR A 44 93.237 -46.867 74.999 1.00101.52 C ATOM 99 CE2 TYR A 44 95.515 -46.206 75.338 1.00104.30 C ATOM 100 CZ TYR A 44 94.529 -46.720 74.518 1.00109.94 C ATOM 101 OH TYR A 44 94.858 -47.045 73.226 1.00113.05 O ATOM 102 HH TYR A 44 94.058 -47.398 72.762 1.00 0.00 H ATOM 103 H TYR A 44 91.459 -44.346 77.820 1.00 0.00 H ATOM 104 N ASN A 45 94.611 -42.831 77.223 1.00 97.49 N ATOM 105 CA ASN A 45 95.718 -42.091 76.639 1.00 99.42 C ATOM 106 C ASN A 45 95.595 -40.569 76.757 1.00102.10 C ATOM 107 O ASN A 45 96.592 -39.871 76.564 1.00103.75 O ATOM 108 CB ASN A 45 95.837 -42.499 75.175 1.00103.08 C ATOM 109 CG ASN A 45 97.247 -42.605 74.708 1.00137.23 C ATOM 110 OD1 ASN A 45 97.787 -41.669 74.124 1.00140.55 O ATOM 111 ND2 ASN A 45 97.875 -43.746 74.953 1.00129.10 N ATOM 112 HD22 ASN A 45 97.382 -44.515 75.451 1.00 0.00 H ATOM 113 HD21 ASN A 45 98.861 -43.873 74.648 1.00 0.00 H ATOM 114 H ASN A 45 93.797 -43.032 76.608 1.00 0.00 H ATOM 115 N ARG A 46 94.384 -40.060 77.066 1.00 95.28 N ATOM 116 CA ARG A 46 94.074 -38.624 77.126 1.00 95.37 C ATOM 117 C ARG A 46 93.776 -38.113 78.506 1.00 97.92 C ATOM 118 O ARG A 46 93.391 -36.942 78.657 1.00 97.82 O ATOM 119 CB ARG A 46 92.871 -38.317 76.255 1.00 92.58 C ATOM 120 CG ARG A 46 92.914 -38.952 74.900 1.00 96.75 C ATOM 121 CD ARG A 46 91.508 -39.046 74.429 1.00103.07 C ATOM 122 NE ARG A 46 90.905 -37.732 74.247 1.00 99.61 N ATOM 123 CZ ARG A 46 89.611 -37.512 74.368 1.00101.83 C ATOM 124 NH1 ARG A 46 88.791 -38.505 74.671 1.00 77.26 N ATOM 125 NH2 ARG A 46 89.121 -36.297 74.179 1.00 96.07 N ATOM 126 HE ARG A 46 91.524 -36.931 74.011 1.00 0.00 H ATOM 127 HH12 ARG A 46 87.771 -38.327 74.765 1.00 0.00 H ATOM 128 HH11 ARG A 46 89.167 -39.464 74.815 1.00 0.00 H ATOM 129 HH22 ARG A 46 88.099 -36.127 74.275 1.00 0.00 H ATOM 130 HH21 ARG A 46 89.758 -35.512 73.934 1.00 0.00 H ATOM 131 H ARG A 46 93.617 -40.730 77.276 1.00 0.00 H ATOM 132 N SER A 47 93.908 -39.010 79.500 1.00 92.84 N ATOM 133 CA SER A 47 93.708 -38.764 80.923 1.00 90.94 C ATOM 134 C SER A 47 94.907 -38.011 81.469 1.00 96.41 C ATOM 135 O SER A 47 95.988 -38.111 80.878 1.00 98.44 O ATOM 136 CB SER A 47 93.609 -40.095 81.651 1.00 91.04 C ATOM 137 OG SER A 47 93.497 -39.870 83.045 1.00101.57 O ATOM 138 HG SER A 47 92.685 -39.334 83.227 1.00 0.00 H ATOM 139 H SER A 47 94.180 -39.976 79.226 1.00 0.00 H ATOM 140 N THR A 48 94.733 -37.266 82.593 1.00 91.40 N ATOM 141 CA THR A 48 95.843 -36.564 83.266 1.00 92.74 C ATOM 142 C THR A 48 96.530 -37.624 84.118 1.00 96.10 C ATOM 143 O THR A 48 97.660 -37.455 84.576 1.00 96.59 O ATOM 144 CB THR A 48 95.327 -35.480 84.206 1.00102.93 C ATOM 145 OG1 THR A 48 94.357 -36.058 85.089 1.00107.12 O ATOM 146 CG2 THR A 48 94.752 -34.296 83.476 1.00102.39 C ATOM 147 HG1 THR A 48 94.016 -35.361 85.704 1.00 0.00 H ATOM 148 H THR A 48 93.777 -37.188 82.995 1.00 0.00 H ATOM 149 N SER A 49 95.797 -38.726 84.327 1.00 90.95 N ATOM 150 CA SER A 49 96.128 -39.931 85.081 1.00 89.02 C ATOM 151 C SER A 49 96.103 -41.114 84.070 1.00 90.86 C ATOM 152 O SER A 49 95.327 -42.056 84.264 1.00 86.66 O ATOM 153 CB SER A 49 95.067 -40.120 86.169 1.00 91.50 C ATOM 154 OG SER A 49 93.834 -39.503 85.804 1.00100.46 O ATOM 155 HG SER A 49 93.500 -39.907 84.964 1.00 0.00 H ATOM 156 H SER A 49 94.854 -38.722 83.888 1.00 0.00 H ATOM 157 N PRO A 50 96.865 -41.056 82.938 1.00 90.80 N ATOM 158 CA PRO A 50 96.766 -42.130 81.939 1.00 91.25 C ATOM 159 C PRO A 50 97.155 -43.517 82.424 1.00 95.87 C ATOM 160 O PRO A 50 97.994 -43.652 83.324 1.00 97.36 O ATOM 161 CB PRO A 50 97.667 -41.643 80.801 1.00 95.59 C ATOM 162 CG PRO A 50 98.630 -40.736 81.438 1.00101.10 C ATOM 163 CD PRO A 50 97.855 -40.044 82.509 1.00 95.05 C ATOM 164 N TRP A 51 96.542 -44.538 81.835 1.00 90.41 N ATOM 165 CA TRP A 51 96.830 -45.893 82.232 1.00 89.76 C ATOM 166 C TRP A 51 97.033 -46.807 81.082 1.00 96.96 C ATOM 167 O TRP A 51 96.686 -46.486 79.955 1.00 98.90 O ATOM 168 CB TRP A 51 95.740 -46.430 83.149 1.00 86.51 C ATOM 169 CG TRP A 51 94.400 -46.526 82.513 1.00 86.91 C ATOM 170 CD1 TRP A 51 93.860 -47.608 81.891 1.00 89.24 C ATOM 171 CD2 TRP A 51 93.424 -45.493 82.438 1.00 87.04 C ATOM 172 NE1 TRP A 51 92.570 -47.339 81.511 1.00 87.73 N ATOM 173 CE2 TRP A 51 92.278 -46.043 81.827 1.00 89.58 C ATOM 174 CE3 TRP A 51 93.387 -44.156 82.868 1.00 89.57 C ATOM 175 CZ2 TRP A 51 91.139 -45.285 81.562 1.00 89.30 C ATOM 176 CZ3 TRP A 51 92.242 -43.410 82.631 1.00 91.07 C ATOM 177 CH2 TRP A 51 91.149 -43.965 81.956 1.00 90.94 C ATOM 178 HE1 TRP A 51 91.920 -48.012 81.056 1.00 0.00 H ATOM 179 H TRP A 51 95.849 -44.358 81.081 1.00 0.00 H ATOM 180 N ASN A 52 97.560 -47.976 81.391 1.00 94.86 N ATOM 181 CA ASN A 52 97.854 -49.062 80.485 1.00 97.00 C ATOM 182 C ASN A 52 96.857 -50.185 80.703 1.00102.98 C ATOM 183 O ASN A 52 96.258 -50.245 81.756 1.00102.10 O ATOM 184 CB ASN A 52 99.278 -49.553 80.761 1.00 99.32 C ATOM 185 CG ASN A 52 100.347 -48.524 80.452 1.00107.88 C ATOM 186 OD1 ASN A 52 100.185 -47.665 79.570 1.00 85.87 O ATOM 187 ND2 ASN A 52 101.477 -48.612 81.155 1.00101.28 N ATOM 188 HD22 ASN A 52 101.579 -49.344 81.887 1.00 0.00 H ATOM 189 HD21 ASN A 52 102.257 -47.949 80.972 1.00 0.00 H ATOM 190 H ASN A 52 97.788 -48.132 82.394 1.00 0.00 H ATOM 191 N LEU A 53 96.665 -51.068 79.719 1.00103.08 N ATOM 192 CA LEU A 53 95.745 -52.193 79.855 1.00102.57 C ATOM 193 C LEU A 53 96.471 -53.501 79.976 1.00110.20 C ATOM 194 O LEU A 53 97.511 -53.695 79.353 1.00111.34 O ATOM 195 CB LEU A 53 94.690 -52.219 78.745 1.00102.30 C ATOM 196 CG LEU A 53 93.696 -51.061 78.818 1.00105.88 C ATOM 197 CD1 LEU A 53 93.076 -50.772 77.470 1.00106.54 C ATOM 198 CD2 LEU A 53 92.654 -51.286 79.910 1.00106.94 C ATOM 199 H LEU A 53 97.188 -50.950 78.828 1.00 0.00 H ATOM 200 N HIS A 54 95.964 -54.375 80.833 1.00109.65 N ATOM 201 CA HIS A 54 96.592 -55.660 81.064 1.00113.31 C ATOM 202 C HIS A 54 95.630 -56.789 80.877 1.00115.55 C ATOM 203 O HIS A 54 94.551 -56.774 81.474 1.00113.21 O ATOM 204 CB HIS A 54 97.293 -55.684 82.422 1.00115.94 C ATOM 205 CG HIS A 54 98.551 -54.881 82.376 1.00122.79 C ATOM 206 ND1 HIS A 54 98.522 -53.491 82.441 1.00124.80 N ATOM 207 CD2 HIS A 54 99.822 -55.282 82.126 1.00128.52 C ATOM 208 CE1 HIS A 54 99.780 -53.100 82.287 1.00126.78 C ATOM 209 NE2 HIS A 54 100.600 -54.141 82.100 1.00129.23 N ATOM 210 H HIS A 54 95.096 -54.133 81.352 1.00 0.00 H ATOM 211 N ARG A 55 95.982 -57.751 79.999 1.00113.05 N ATOM 212 CA ARG A 55 95.051 -58.836 79.787 1.00112.14 C ATOM 213 C ARG A 55 95.266 -59.941 80.817 1.00115.17 C ATOM 214 O ARG A 55 96.308 -60.607 80.874 1.00117.43 O ATOM 215 CB ARG A 55 94.969 -59.333 78.326 1.00113.20 C ATOM 216 CG ARG A 55 95.968 -60.351 77.827 1.00122.26 C ATOM 217 CD ARG A 55 95.784 -60.534 76.333 1.00128.84 C ATOM 218 NE ARG A 55 94.993 -61.718 75.996 1.00134.32 N ATOM 219 CZ ARG A 55 93.934 -61.710 75.192 1.00146.67 C ATOM 220 NH1 ARG A 55 93.490 -60.569 74.676 1.00135.67 N ATOM 221 NH2 ARG A 55 93.287 -62.837 74.927 1.00127.87 N ATOM 222 HE ARG A 55 95.278 -62.627 76.413 1.00 0.00 H ATOM 223 HH12 ARG A 55 92.661 -60.570 74.048 1.00 0.00 H ATOM 224 HH11 ARG A 55 93.971 -59.675 74.900 1.00 0.00 H ATOM 225 HH22 ARG A 55 92.459 -62.826 74.298 1.00 0.00 H ATOM 226 HH21 ARG A 55 93.607 -63.732 75.349 1.00 0.00 H ATOM 227 H ARG A 55 96.890 -57.713 79.493 1.00 0.00 H ATOM 228 N ASN A 56 94.283 -60.010 81.711 1.00107.85 N ATOM 229 CA ASN A 56 94.123 -61.009 82.736 1.00107.26 C ATOM 230 C ASN A 56 93.285 -62.058 82.001 1.00112.20 C ATOM 231 O ASN A 56 92.052 -61.936 81.913 1.00112.03 O ATOM 232 CB ASN A 56 93.368 -60.418 83.949 1.00104.08 C ATOM 233 CG ASN A 56 92.864 -61.420 84.986 1.00123.12 C ATOM 234 OD1 ASN A 56 92.708 -62.629 84.746 1.00113.48 O ATOM 235 ND2 ASN A 56 92.521 -60.921 86.161 1.00114.50 N ATOM 236 HD22 ASN A 56 92.655 -59.908 86.355 1.00 0.00 H ATOM 237 HD21 ASN A 56 92.118 -61.541 86.892 1.00 0.00 H ATOM 238 H ASN A 56 93.557 -59.267 81.665 1.00 0.00 H ATOM 239 N GLU A 57 93.974 -63.026 81.386 1.00108.83 N ATOM 240 CA GLU A 57 93.366 -64.136 80.649 1.00108.53 C ATOM 241 C GLU A 57 93.209 -65.342 81.630 1.00109.44 C ATOM 242 O GLU A 57 94.007 -65.479 82.564 1.00108.21 O ATOM 243 CB GLU A 57 94.270 -64.477 79.448 1.00112.51 C ATOM 244 CG GLU A 57 93.663 -65.334 78.352 1.00123.30 C ATOM 245 CD GLU A 57 94.630 -65.686 77.234 1.00149.02 C ATOM 246 OE1 GLU A 57 94.808 -66.898 76.977 1.00159.46 O ATOM 247 OE2 GLU A 57 95.224 -64.764 76.626 1.00136.77 O ATOM 248 H GLU A 57 95.012 -62.988 81.435 1.00 0.00 H ATOM 249 N ASP A 58 92.148 -66.159 81.447 1.00104.89 N ATOM 250 CA ASP A 58 91.837 -67.366 82.225 1.00105.94 C ATOM 251 C ASP A 58 90.764 -68.148 81.497 1.00109.18 C ATOM 252 O ASP A 58 89.650 -67.644 81.376 1.00106.42 O ATOM 253 CB ASP A 58 91.342 -67.032 83.644 1.00106.96 C ATOM 254 CG ASP A 58 91.161 -68.232 84.586 1.00123.66 C ATOM 255 OD1 ASP A 58 91.268 -69.406 84.108 1.00125.32 O ATOM 256 OD2 ASP A 58 90.924 -68.001 85.801 1.00129.99 O ATOM 257 H ASP A 58 91.489 -65.909 80.682 1.00 0.00 H ATOM 258 N PRO A 59 91.039 -69.381 81.021 1.00108.60 N ATOM 259 CA PRO A 59 89.984 -70.128 80.312 1.00109.57 C ATOM 260 C PRO A 59 88.897 -70.677 81.232 1.00114.88 C ATOM 261 O PRO A 59 87.755 -70.807 80.789 1.00114.89 O ATOM 262 CB PRO A 59 90.735 -71.255 79.597 1.00114.40 C ATOM 263 CG PRO A 59 92.126 -71.166 80.028 1.00119.40 C ATOM 264 CD PRO A 59 92.292 -70.149 81.091 1.00112.56 C ATOM 265 N GLU A 60 89.241 -70.968 82.510 1.00110.28 N ATOM 266 CA GLU A 60 88.309 -71.537 83.465 1.00109.34 C ATOM 267 C GLU A 60 87.411 -70.488 84.155 1.00109.60 C ATOM 268 O GLU A 60 86.767 -70.804 85.159 1.00110.48 O ATOM 269 CB GLU A 60 89.059 -72.436 84.458 1.00113.04 C ATOM 270 CG GLU A 60 88.836 -73.927 84.219 1.00125.70 C ATOM 271 CD GLU A 60 89.110 -74.521 82.843 1.00151.41 C ATOM 272 OE1 GLU A 60 89.836 -73.885 82.043 1.00145.25 O ATOM 273 OE2 GLU A 60 88.625 -75.646 82.578 1.00146.36 O ATOM 274 H GLU A 60 90.215 -70.775 82.819 1.00 0.00 H ATOM 275 N ARG A 61 87.301 -69.270 83.600 1.00102.23 N ATOM 276 CA ARG A 61 86.345 -68.296 84.145 1.00 99.72 C ATOM 277 C ARG A 61 85.714 -67.433 83.037 1.00103.06 C ATOM 278 O ARG A 61 86.304 -67.267 81.976 1.00103.49 O ATOM 279 CB ARG A 61 86.889 -67.455 85.310 1.00 96.56 C ATOM 280 CG ARG A 61 87.858 -66.387 84.914 1.00101.70 C ATOM 281 CD ARG A 61 87.374 -64.990 85.247 1.00100.12 C ATOM 282 NE ARG A 61 88.164 -64.033 84.472 1.00107.49 N ATOM 283 CZ ARG A 61 89.349 -63.546 84.831 1.00111.71 C ATOM 284 NH1 ARG A 61 89.867 -63.845 86.014 1.00 86.61 N ATOM 285 NH2 ARG A 61 90.008 -62.731 84.023 1.00100.64 N ATOM 286 HE ARG A 61 87.767 -63.707 83.568 1.00 0.00 H ATOM 287 HH12 ARG A 61 90.794 -63.461 86.288 1.00 0.00 H ATOM 288 HH11 ARG A 61 89.347 -64.464 86.668 1.00 0.00 H ATOM 289 HH22 ARG A 61 90.934 -62.353 84.308 1.00 0.00 H ATOM 290 HH21 ARG A 61 89.600 -62.469 83.103 1.00 0.00 H ATOM 291 H ARG A 61 87.893 -69.016 82.784 1.00 0.00 H ATOM 292 N TYR A 62 84.483 -66.964 83.258 1.00 98.10 N ATOM 293 CA TYR A 62 83.761 -66.155 82.290 1.00 96.23 C ATOM 294 C TYR A 62 83.478 -64.801 82.889 1.00 99.22 C ATOM 295 O TYR A 62 82.807 -64.775 83.924 1.00 99.81 O ATOM 296 CB TYR A 62 82.425 -66.807 81.910 1.00 97.74 C ATOM 297 CG TYR A 62 81.607 -65.928 80.998 1.00 98.30 C ATOM 298 CD1 TYR A 62 80.724 -64.989 81.511 1.00 99.54 C ATOM 299 CD2 TYR A 62 81.745 -66.003 79.619 1.00 99.67 C ATOM 300 CE1 TYR A 62 80.005 -64.139 80.672 1.00100.57 C ATOM 301 CE2 TYR A 62 81.022 -65.167 78.771 1.00 99.15 C ATOM 302 CZ TYR A 62 80.154 -64.236 79.302 1.00104.51 C ATOM 303 OH TYR A 62 79.438 -63.407 78.479 1.00107.09 O ATOM 304 HH TYR A 62 78.871 -62.809 79.027 1.00 0.00 H ATOM 305 H TYR A 62 84.021 -67.187 84.162 1.00 0.00 H ATOM 306 N PRO A 63 83.860 -63.659 82.254 1.00 94.11 N ATOM 307 CA PRO A 63 84.658 -63.497 81.019 1.00 94.20 C ATOM 308 C PRO A 63 86.093 -63.992 81.141 1.00 98.67 C ATOM 309 O PRO A 63 86.764 -63.695 82.118 1.00 97.03 O ATOM 310 CB PRO A 63 84.598 -61.987 80.762 1.00 94.24 C ATOM 311 CG PRO A 63 84.350 -61.371 82.086 1.00 97.09 C ATOM 312 CD PRO A 63 83.491 -62.347 82.825 1.00 93.43 C ATOM 313 N SER A 64 86.544 -64.773 80.150 1.00 98.50 N ATOM 314 CA SER A 64 87.876 -65.383 80.137 1.00100.15 C ATOM 315 C SER A 64 89.010 -64.374 80.111 1.00104.54 C ATOM 316 O SER A 64 89.938 -64.488 80.914 1.00105.10 O ATOM 317 CB SER A 64 87.997 -66.397 79.011 1.00103.84 C ATOM 318 OG SER A 64 87.182 -67.512 79.330 1.00109.03 O ATOM 319 HG SER A 64 87.489 -67.911 80.182 1.00 0.00 H ATOM 320 H SER A 64 85.913 -64.957 79.344 1.00 0.00 H ATOM 321 N VAL A 65 88.900 -63.355 79.256 1.00 99.44 N ATOM 322 CA VAL A 65 89.893 -62.306 79.211 1.00 98.02 C ATOM 323 C VAL A 65 89.311 -61.002 79.798 1.00 97.58 C ATOM 324 O VAL A 65 88.157 -60.665 79.517 1.00 93.61 O ATOM 325 CB VAL A 65 90.511 -62.175 77.805 1.00103.36 C ATOM 326 CG1 VAL A 65 89.781 -61.155 76.932 1.00102.14 C ATOM 327 CG2 VAL A 65 91.984 -61.849 77.910 1.00104.39 C ATOM 328 H VAL A 65 88.085 -63.315 78.611 1.00 0.00 H ATOM 329 N ILE A 66 90.078 -60.335 80.693 1.00 95.11 N ATOM 330 CA ILE A 66 89.681 -59.062 81.338 1.00 93.92 C ATOM 331 C ILE A 66 90.800 -58.016 81.193 1.00103.52 C ATOM 332 O ILE A 66 91.966 -58.305 81.498 1.00104.57 O ATOM 333 CB ILE A 66 89.159 -59.174 82.826 1.00 94.26 C ATOM 334 CG1 ILE A 66 87.974 -60.145 82.958 1.00 92.95 C ATOM 335 CG2 ILE A 66 88.742 -57.799 83.371 1.00 92.61 C ATOM 336 CD1 ILE A 66 87.632 -60.514 84.280 1.00 84.34 C ATOM 337 H ILE A 66 91.002 -60.741 80.943 1.00 0.00 H ATOM 338 N TRP A 67 90.423 -56.793 80.758 1.00101.55 N ATOM 339 CA TRP A 67 91.349 -55.678 80.613 1.00102.91 C ATOM 340 C TRP A 67 91.416 -54.812 81.896 1.00105.11 C ATOM 341 O TRP A 67 90.500 -54.016 82.151 1.00106.34 O ATOM 342 CB TRP A 67 90.992 -54.870 79.366 1.00103.13 C ATOM 343 CG TRP A 67 91.149 -55.689 78.127 1.00106.77 C ATOM 344 CD1 TRP A 67 90.184 -56.420 77.499 1.00109.93 C ATOM 345 CD2 TRP A 67 92.383 -56.005 77.474 1.00109.21 C ATOM 346 NE1 TRP A 67 90.737 -57.147 76.468 1.00111.62 N ATOM 347 CE2 TRP A 67 92.085 -56.904 76.426 1.00114.60 C ATOM 348 CE3 TRP A 67 93.720 -55.604 77.667 1.00111.86 C ATOM 349 CZ2 TRP A 67 93.072 -57.406 75.569 1.00116.67 C ATOM 350 CZ3 TRP A 67 94.694 -56.089 76.808 1.00115.92 C ATOM 351 CH2 TRP A 67 94.368 -56.978 75.773 1.00117.98 C ATOM 352 HE1 TRP A 67 90.216 -57.778 75.826 1.00 0.00 H ATOM 353 H TRP A 67 89.423 -56.641 80.515 1.00 0.00 H ATOM 354 N GLU A 68 92.478 -55.015 82.725 1.00 97.24 N ATOM 355 CA GLU A 68 92.731 -54.288 83.977 1.00 94.10 C ATOM 356 C GLU A 68 93.696 -53.144 83.716 1.00 95.82 C ATOM 357 O GLU A 68 94.743 -53.351 83.103 1.00 97.15 O ATOM 358 CB GLU A 68 93.352 -55.205 85.046 1.00 95.96 C ATOM 359 CG GLU A 68 92.441 -56.306 85.559 1.00110.64 C ATOM 360 CD GLU A 68 92.001 -56.243 87.012 1.00139.87 C ATOM 361 OE1 GLU A 68 92.135 -55.174 87.651 1.00149.15 O ATOM 362 OE2 GLU A 68 91.489 -57.273 87.505 1.00137.53 O ATOM 363 H GLU A 68 93.166 -55.744 82.449 1.00 0.00 H ATOM 364 N ALA A 69 93.384 -51.963 84.259 1.00 89.52 N ATOM 365 CA ALA A 69 94.155 -50.738 84.110 1.00 89.19 C ATOM 366 C ALA A 69 95.252 -50.512 85.143 1.00 94.96 C ATOM 367 O ALA A 69 94.964 -50.425 86.332 1.00 95.31 O ATOM 368 CB ALA A 69 93.216 -49.570 84.134 1.00 88.92 C ATOM 369 H ALA A 69 92.519 -51.916 84.835 1.00 0.00 H ATOM 370 N LYS A 70 96.503 -50.363 84.693 1.00 93.45 N ATOM 371 CA LYS A 70 97.644 -50.040 85.557 1.00 94.37 C ATOM 372 C LYS A 70 98.092 -48.621 85.192 1.00 98.53 C ATOM 373 O LYS A 70 98.388 -48.353 84.029 1.00 98.82 O ATOM 374 CB LYS A 70 98.805 -51.054 85.408 1.00 99.08 C ATOM 375 CG LYS A 70 99.016 -51.954 86.643 1.00125.91 C ATOM 376 CD LYS A 70 100.359 -52.763 86.629 1.00138.87 C ATOM 377 CE LYS A 70 100.590 -53.592 87.889 1.00140.07 C ATOM 378 NZ LYS A 70 101.909 -54.283 87.886 1.00141.97 N ATOM 379 HZ1 LYS A 70 101.962 -54.923 87.068 1.00 0.00 H ATOM 380 HZ2 LYS A 70 102.669 -53.576 87.824 1.00 0.00 H ATOM 381 HZ3 LYS A 70 102.014 -54.831 88.764 1.00 0.00 H ATOM 382 H LYS A 70 96.676 -50.483 83.675 1.00 0.00 H ATOM 383 N CYS A 71 98.111 -47.713 86.180 1.00 95.20 N ATOM 384 CA CYS A 71 98.492 -46.310 86.022 1.00 96.46 C ATOM 385 C CYS A 71 99.882 -46.153 85.367 1.00 99.45 C ATOM 386 O CYS A 71 100.785 -46.954 85.623 1.00 98.11 O ATOM 387 CB CYS A 71 98.397 -45.573 87.358 1.00 97.93 C ATOM 388 SG CYS A 71 96.768 -45.674 88.185 1.00100.94 S ATOM 389 H CYS A 71 97.834 -48.031 87.130 1.00 0.00 H ATOM 390 N ARG A 72 100.028 -45.183 84.448 1.00 96.70 N ATOM 391 CA ARG A 72 101.311 -44.986 83.762 1.00 97.81 C ATOM 392 C ARG A 72 102.365 -44.414 84.710 1.00100.28 C ATOM 393 O ARG A 72 103.523 -44.844 84.677 1.00 99.91 O ATOM 394 CB ARG A 72 101.157 -44.068 82.548 1.00 96.71 C ATOM 395 CG ARG A 72 101.748 -44.645 81.280 1.00109.96 C ATOM 396 CD ARG A 72 100.657 -44.905 80.251 1.00123.96 C ATOM 397 NE ARG A 72 100.463 -43.810 79.294 1.00130.06 N ATOM 398 CZ ARG A 72 99.530 -43.803 78.346 1.00141.84 C ATOM 399 NH1 ARG A 72 98.693 -44.829 78.220 1.00125.27 N ATOM 400 NH2 ARG A 72 99.422 -42.771 77.519 1.00130.13 N ATOM 401 HE ARG A 72 101.095 -42.987 79.361 1.00 0.00 H ATOM 402 HH12 ARG A 72 97.965 -44.818 77.477 1.00 0.00 H ATOM 403 HH11 ARG A 72 98.766 -45.642 78.864 1.00 0.00 H ATOM 404 HH22 ARG A 72 98.690 -42.771 76.780 1.00 0.00 H ATOM 405 HH21 ARG A 72 100.069 -41.962 77.610 1.00 0.00 H ATOM 406 H ARG A 72 99.223 -44.565 84.220 1.00 0.00 H ATOM 407 N HIS A 73 101.962 -43.416 85.524 1.00 95.34 N ATOM 408 CA HIS A 73 102.869 -42.730 86.432 1.00 95.81 C ATOM 409 C HIS A 73 102.318 -42.614 87.841 1.00 99.44 C ATOM 410 O HIS A 73 101.139 -42.859 88.083 1.00 96.70 O ATOM 411 CB HIS A 73 103.181 -41.298 85.932 1.00 97.69 C ATOM 412 CG HIS A 73 103.440 -41.167 84.468 1.00102.06 C ATOM 413 ND1 HIS A 73 102.573 -40.479 83.644 1.00102.80 N ATOM 414 CD2 HIS A 73 104.482 -41.612 83.732 1.00105.17 C ATOM 415 CE1 HIS A 73 103.099 -40.546 82.441 1.00103.76 C ATOM 416 NE2 HIS A 73 104.252 -41.208 82.446 1.00105.62 N ATOM 417 H HIS A 73 100.964 -43.126 85.502 1.00 0.00 H ATOM 418 N LEU A 74 103.186 -42.176 88.763 1.00 98.55 N ATOM 419 CA LEU A 74 102.829 -41.868 90.128 1.00 97.96 C ATOM 420 C LEU A 74 102.178 -40.492 90.057 1.00105.21 C ATOM 421 O LEU A 74 101.001 -40.391 90.370 1.00105.45 O ATOM 422 CB LEU A 74 104.076 -41.870 91.027 1.00 99.25 C ATOM 423 CG LEU A 74 103.921 -41.438 92.474 1.00103.00 C ATOM 424 CD1 LEU A 74 102.874 -42.269 93.207 1.00101.50 C ATOM 425 CD2 LEU A 74 105.221 -41.568 93.178 1.00106.39 C ATOM 426 H LEU A 74 104.178 -42.050 88.478 1.00 0.00 H ATOM 427 N GLY A 75 102.895 -39.483 89.547 1.00103.80 N ATOM 428 CA GLY A 75 102.369 -38.130 89.397 1.00104.56 C ATOM 429 C GLY A 75 101.305 -37.998 88.321 1.00109.40 C ATOM 430 O GLY A 75 100.807 -39.003 87.811 1.00107.82 O ATOM 431 H GLY A 75 103.872 -39.672 89.244 1.00 0.00 H ATOM 432 N CYS A 76 100.953 -36.754 87.952 1.00108.08 N ATOM 433 CA CYS A 76 99.940 -36.498 86.928 1.00107.73 C ATOM 434 C CYS A 76 100.406 -35.561 85.836 1.00114.71 C ATOM 435 O CYS A 76 101.371 -34.846 86.024 1.00116.42 O ATOM 436 CB CYS A 76 98.651 -36.007 87.567 1.00106.98 C ATOM 437 SG CYS A 76 97.693 -37.313 88.361 1.00108.01 S ATOM 438 H CYS A 76 101.418 -35.945 88.411 1.00 0.00 H ATOM 439 N ILE A 77 99.698 -35.534 84.702 1.00111.53 N ATOM 440 CA ILE A 77 100.023 -34.633 83.597 1.00113.57 C ATOM 441 C ILE A 77 99.353 -33.304 83.885 1.00118.09 C ATOM 442 O ILE A 77 98.126 -33.251 83.983 1.00115.81 O ATOM 443 CB ILE A 77 99.598 -35.196 82.219 1.00115.99 C ATOM 444 CG1 ILE A 77 99.886 -36.724 82.070 1.00113.87 C ATOM 445 CG2 ILE A 77 100.226 -34.370 81.099 1.00120.75 C ATOM 446 CD1 ILE A 77 101.353 -37.232 82.359 1.00117.99 C ATOM 447 H ILE A 77 98.887 -36.177 84.602 1.00 0.00 H ATOM 448 N ASN A 78 100.149 -32.242 84.059 1.00117.88 N ATOM 449 CA ASN A 78 99.581 -30.933 84.352 1.00120.01 C ATOM 450 C ASN A 78 99.162 -30.224 83.064 1.00130.74 C ATOM 451 O ASN A 78 98.916 -30.884 82.045 1.00129.36 O ATOM 452 CB ASN A 78 100.512 -30.080 85.244 1.00118.13 C ATOM 453 CG ASN A 78 101.917 -29.874 84.725 1.00134.10 C ATOM 454 OD1 ASN A 78 102.144 -29.365 83.621 1.00142.83 O ATOM 455 ND2 ASN A 78 102.902 -30.177 85.551 1.00111.58 N ATOM 456 HD22 ASN A 78 102.692 -30.605 86.476 1.00 0.00 H ATOM 457 HD21 ASN A 78 103.887 -29.988 85.277 1.00 0.00 H ATOM 458 H ASN A 78 101.180 -32.352 83.984 1.00 0.00 H ATOM 459 N ALA A 79 99.069 -28.882 83.115 1.00133.68 N ATOM 460 CA ALA A 79 98.708 -28.044 81.975 1.00137.68 C ATOM 461 C ALA A 79 99.849 -28.037 80.948 1.00145.44 C ATOM 462 O ALA A 79 99.628 -28.402 79.786 1.00145.86 O ATOM 463 CB ALA A 79 98.400 -26.629 82.447 1.00141.32 C ATOM 464 H ALA A 79 99.266 -28.413 84.022 1.00 0.00 H ATOM 465 N ASP A 80 101.080 -27.697 81.409 1.00143.91 N ATOM 466 CA ASP A 80 102.309 -27.644 80.616 1.00147.04 C ATOM 467 C ASP A 80 102.655 -28.981 79.938 1.00148.06 C ATOM 468 O ASP A 80 103.394 -28.996 78.954 1.00150.53 O ATOM 469 CB ASP A 80 103.483 -27.134 81.480 1.00151.60 C ATOM 470 CG ASP A 80 103.406 -25.661 81.878 1.00167.77 C ATOM 471 OD1 ASP A 80 102.725 -24.876 81.159 1.00170.50 O ATOM 472 OD2 ASP A 80 104.070 -25.279 82.873 1.00172.61 O ATOM 473 H ASP A 80 101.157 -27.452 82.417 1.00 0.00 H ATOM 474 N GLY A 81 102.091 -30.074 80.449 1.00139.08 N ATOM 475 CA GLY A 81 102.284 -31.415 79.908 1.00135.89 C ATOM 476 C GLY A 81 103.448 -32.164 80.520 1.00134.29 C ATOM 477 O GLY A 81 104.096 -32.965 79.842 1.00133.99 O ATOM 478 H GLY A 81 101.478 -29.965 81.282 1.00 0.00 H ATOM 479 N ASN A 82 103.726 -31.895 81.801 1.00126.54 N ATOM 480 CA ASN A 82 104.790 -32.555 82.557 1.00123.91 C ATOM 481 C ASN A 82 104.155 -33.401 83.632 1.00118.08 C ATOM 482 O ASN A 82 103.001 -33.151 84.000 1.00114.39 O ATOM 483 CB ASN A 82 105.717 -31.523 83.214 1.00127.84 C ATOM 484 CG ASN A 82 106.610 -30.761 82.269 1.00150.13 C ATOM 485 OD1 ASN A 82 106.270 -30.503 81.097 1.00153.61 O ATOM 486 ND2 ASN A 82 107.750 -30.322 82.789 1.00133.29 N ATOM 487 HD22 ASN A 82 107.999 -30.558 83.771 1.00 0.00 H ATOM 488 HD21 ASN A 82 108.394 -29.742 82.215 1.00 0.00 H ATOM 489 H ASN A 82 103.153 -31.176 82.287 1.00 0.00 H ATOM 490 N VAL A 83 104.899 -34.404 84.135 1.00110.85 N ATOM 491 CA VAL A 83 104.398 -35.229 85.222 1.00106.34 C ATOM 492 C VAL A 83 104.603 -34.383 86.484 1.00112.64 C ATOM 493 O VAL A 83 105.679 -33.811 86.680 1.00116.32 O ATOM 494 CB VAL A 83 104.978 -36.663 85.295 1.00107.41 C ATOM 495 CG1 VAL A 83 104.358 -37.441 86.446 1.00103.92 C ATOM 496 CG2 VAL A 83 104.746 -37.416 83.995 1.00106.62 C ATOM 497 H VAL A 83 105.843 -34.591 83.741 1.00 0.00 H ATOM 498 N ASP A 84 103.524 -34.202 87.247 1.00106.27 N ATOM 499 CA ASP A 84 103.416 -33.354 88.411 1.00106.63 C ATOM 500 C ASP A 84 103.221 -34.211 89.655 1.00113.28 C ATOM 501 O ASP A 84 102.235 -34.948 89.761 1.00112.36 O ATOM 502 CB ASP A 84 102.241 -32.404 88.205 1.00107.62 C ATOM 503 CG ASP A 84 102.255 -31.258 89.168 1.00118.25 C ATOM 504 OD1 ASP A 84 101.842 -31.454 90.317 1.00118.66 O ATOM 505 OD2 ASP A 84 102.726 -30.175 88.788 1.00126.94 O ATOM 506 H ASP A 84 102.669 -34.728 86.975 1.00 0.00 H ATOM 507 N TYR A 85 104.149 -34.094 90.611 1.00111.05 N ATOM 508 CA TYR A 85 104.141 -34.921 91.808 1.00108.46 C ATOM 509 C TYR A 85 103.441 -34.234 93.022 1.00114.39 C ATOM 510 O TYR A 85 103.658 -34.630 94.172 1.00113.43 O ATOM 511 CB TYR A 85 105.584 -35.411 92.097 1.00109.83 C ATOM 512 CG TYR A 85 106.095 -36.357 91.023 1.00110.38 C ATOM 513 CD1 TYR A 85 105.857 -37.726 91.104 1.00110.17 C ATOM 514 CD2 TYR A 85 106.731 -35.873 89.878 1.00113.28 C ATOM 515 CE1 TYR A 85 106.262 -38.596 90.091 1.00111.40 C ATOM 516 CE2 TYR A 85 107.144 -36.735 88.858 1.00114.31 C ATOM 517 CZ TYR A 85 106.916 -38.100 88.975 1.00118.32 C ATOM 518 OH TYR A 85 107.304 -38.984 87.992 1.00116.39 O ATOM 519 HH TYR A 85 107.055 -39.904 88.260 1.00 0.00 H ATOM 520 H TYR A 85 104.903 -33.387 90.495 1.00 0.00 H ATOM 521 N HIS A 86 102.531 -33.268 92.745 1.00113.29 N ATOM 522 CA HIS A 86 101.704 -32.584 93.762 1.00113.70 C ATOM 523 C HIS A 86 100.307 -33.248 93.793 1.00112.62 C ATOM 524 O HIS A 86 99.356 -32.714 94.380 1.00111.52 O ATOM 525 CB HIS A 86 101.536 -31.093 93.421 1.00117.93 C ATOM 526 CG HIS A 86 102.802 -30.293 93.379 1.00124.89 C ATOM 527 ND1 HIS A 86 103.309 -29.813 92.185 1.00128.99 N ATOM 528 CD2 HIS A 86 103.586 -29.858 94.395 1.00128.52 C ATOM 529 CE1 HIS A 86 104.378 -29.104 92.510 1.00131.29 C ATOM 530 NE2 HIS A 86 104.588 -29.106 93.829 1.00131.28 N ATOM 531 H HIS A 86 102.406 -32.989 91.751 1.00 0.00 H ATOM 532 N MET A 87 100.198 -34.396 93.096 1.00105.44 N ATOM 533 CA MET A 87 99.007 -35.223 92.936 1.00101.43 C ATOM 534 C MET A 87 99.374 -36.591 92.402 1.00 97.69 C ATOM 535 O MET A 87 100.338 -36.730 91.655 1.00 96.89 O ATOM 536 CB MET A 87 98.006 -34.561 92.007 1.00104.75 C ATOM 537 CG MET A 87 98.611 -34.047 90.746 1.00111.49 C ATOM 538 SD MET A 87 98.244 -32.309 90.688 1.00120.37 S ATOM 539 CE MET A 87 98.664 -31.931 88.938 1.00118.93 C ATOM 540 H MET A 87 101.060 -34.730 92.619 1.00 0.00 H ATOM 541 N ASN A 88 98.601 -37.598 92.773 1.00 89.93 N ATOM 542 CA ASN A 88 98.888 -38.945 92.339 1.00 87.60 C ATOM 543 C ASN A 88 97.809 -39.548 91.472 1.00 89.92 C ATOM 544 O ASN A 88 96.630 -39.456 91.809 1.00 88.66 O ATOM 545 CB ASN A 88 99.082 -39.868 93.540 1.00 84.06 C ATOM 546 CG ASN A 88 100.250 -39.623 94.460 1.00 99.49 C ATOM 547 OD1 ASN A 88 100.328 -40.208 95.542 1.00 84.55 O ATOM 548 ND2 ASN A 88 101.199 -38.808 94.066 1.00 97.12 N ATOM 549 HD22 ASN A 88 101.119 -38.321 93.150 1.00 0.00 H ATOM 550 HD21 ASN A 88 102.031 -38.648 94.669 1.00 0.00 H ATOM 551 H ASN A 88 97.778 -37.418 93.383 1.00 0.00 H ATOM 552 N SER A 89 98.224 -40.233 90.389 1.00 86.40 N ATOM 553 CA SER A 89 97.356 -41.049 89.548 1.00 84.96 C ATOM 554 C SER A 89 97.092 -42.298 90.410 1.00 86.31 C ATOM 555 O SER A 89 98.045 -42.876 90.927 1.00 86.51 O ATOM 556 CB SER A 89 98.064 -41.471 88.263 1.00 89.59 C ATOM 557 OG SER A 89 98.477 -40.375 87.470 1.00102.94 O ATOM 558 HG SER A 89 99.106 -39.813 87.988 1.00 0.00 H ATOM 559 H SER A 89 99.231 -40.176 90.136 1.00 0.00 H ATOM 560 N VAL A 90 95.814 -42.651 90.641 1.00 80.98 N ATOM 561 CA VAL A 90 95.415 -43.785 91.482 1.00 79.40 C ATOM 562 C VAL A 90 94.423 -44.701 90.750 1.00 85.91 C ATOM 563 O VAL A 90 93.495 -44.181 90.128 1.00 85.38 O ATOM 564 CB VAL A 90 94.863 -43.344 92.871 1.00 81.57 C ATOM 565 CG1 VAL A 90 95.678 -42.219 93.465 1.00 82.63 C ATOM 566 CG2 VAL A 90 93.409 -42.937 92.808 1.00 80.70 C ATOM 567 H VAL A 90 95.063 -42.085 90.196 1.00 0.00 H ATOM 568 N PRO A 91 94.527 -46.048 90.865 1.00 84.25 N ATOM 569 CA PRO A 91 93.526 -46.913 90.216 1.00 84.58 C ATOM 570 C PRO A 91 92.115 -46.810 90.819 1.00 92.87 C ATOM 571 O PRO A 91 91.941 -46.365 91.966 1.00 93.02 O ATOM 572 CB PRO A 91 94.094 -48.313 90.426 1.00 85.92 C ATOM 573 CG PRO A 91 94.884 -48.196 91.681 1.00 90.33 C ATOM 574 CD PRO A 91 95.538 -46.852 91.573 1.00 86.35 C ATOM 575 N ILE A 92 91.109 -47.257 90.037 1.00 91.12 N ATOM 576 CA ILE A 92 89.700 -47.289 90.412 1.00 91.05 C ATOM 577 C ILE A 92 89.152 -48.716 90.348 1.00 95.50 C ATOM 578 O ILE A 92 88.847 -49.218 89.273 1.00 93.95 O ATOM 579 CB ILE A 92 88.818 -46.284 89.624 1.00 94.46 C ATOM 580 CG1 ILE A 92 89.422 -44.872 89.609 1.00 96.69 C ATOM 581 CG2 ILE A 92 87.400 -46.246 90.193 1.00 94.53 C ATOM 582 CD1 ILE A 92 89.294 -44.173 88.227 1.00108.26 C ATOM 583 H ILE A 92 91.359 -47.607 89.090 1.00 0.00 H ATOM 584 N GLN A 93 88.986 -49.334 91.521 1.00 94.54 N ATOM 585 CA GLN A 93 88.421 -50.672 91.686 1.00 94.86 C ATOM 586 C GLN A 93 86.874 -50.667 91.533 1.00100.38 C ATOM 587 O GLN A 93 86.236 -49.609 91.588 1.00 99.14 O ATOM 588 CB GLN A 93 88.854 -51.275 93.031 1.00 96.27 C ATOM 589 CG GLN A 93 90.305 -50.941 93.381 1.00115.19 C ATOM 590 CD GLN A 93 91.242 -52.119 93.381 1.00135.16 C ATOM 591 OE1 GLN A 93 91.806 -52.467 94.417 1.00135.00 O ATOM 592 NE2 GLN A 93 91.486 -52.717 92.221 1.00125.25 N ATOM 593 HE22 GLN A 93 90.995 -52.402 91.360 1.00 0.00 H ATOM 594 HE21 GLN A 93 92.169 -53.500 92.173 1.00 0.00 H ATOM 595 H GLN A 93 89.280 -48.826 92.379 1.00 0.00 H ATOM 596 N GLN A 94 86.298 -51.862 91.284 1.00 98.82 N ATOM 597 CA GLN A 94 84.861 -52.133 91.101 1.00 98.95 C ATOM 598 C GLN A 94 84.643 -53.645 91.286 1.00101.81 C ATOM 599 O GLN A 94 85.385 -54.441 90.686 1.00100.79 O ATOM 600 CB GLN A 94 84.395 -51.663 89.693 1.00 99.99 C ATOM 601 CG GLN A 94 83.096 -52.285 89.135 1.00114.97 C ATOM 602 CD GLN A 94 81.814 -51.763 89.736 1.00140.32 C ATOM 603 OE1 GLN A 94 81.587 -50.553 89.854 1.00138.70 O ATOM 604 NE2 GLN A 94 80.897 -52.665 90.037 1.00134.98 N ATOM 605 HE22 GLN A 94 81.109 -53.678 89.930 1.00 0.00 H ATOM 606 HE21 GLN A 94 79.963 -52.363 90.381 1.00 0.00 H ATOM 607 H GLN A 94 86.937 -52.680 91.214 1.00 0.00 H ATOM 608 N GLU A 95 83.649 -54.042 92.116 1.00 97.35 N ATOM 609 CA GLU A 95 83.392 -55.473 92.294 1.00 97.22 C ATOM 610 C GLU A 95 82.515 -55.957 91.124 1.00 97.39 C ATOM 611 O GLU A 95 81.556 -55.265 90.757 1.00 97.92 O ATOM 612 CB GLU A 95 82.808 -55.801 93.687 1.00100.10 C ATOM 613 CG GLU A 95 83.540 -56.950 94.387 1.00120.67 C ATOM 614 CD GLU A 95 83.852 -56.867 95.883 1.00161.32 C ATOM 615 OE1 GLU A 95 84.797 -57.560 96.336 1.00144.62 O ATOM 616 OE2 GLU A 95 83.132 -56.141 96.610 1.00170.88 O ATOM 617 H GLU A 95 83.074 -53.338 92.622 1.00 0.00 H ATOM 618 N ILE A 96 82.909 -57.072 90.462 1.00 88.40 N ATOM 619 CA ILE A 96 82.175 -57.628 89.304 1.00 85.22 C ATOM 620 C ILE A 96 81.841 -59.126 89.497 1.00 89.97 C ATOM 621 O ILE A 96 82.638 -59.869 90.070 1.00 91.69 O ATOM 622 CB ILE A 96 82.870 -57.351 87.935 1.00 84.91 C ATOM 623 CG1 ILE A 96 84.209 -58.068 87.816 1.00 83.74 C ATOM 624 CG2 ILE A 96 83.052 -55.864 87.727 1.00 83.83 C ATOM 625 CD1 ILE A 96 84.678 -58.421 86.447 1.00 81.45 C ATOM 626 H ILE A 96 83.769 -57.560 90.784 1.00 0.00 H ATOM 627 N LEU A 97 80.662 -59.556 89.043 1.00 84.35 N ATOM 628 CA LEU A 97 80.276 -60.951 89.132 1.00 84.34 C ATOM 629 C LEU A 97 81.002 -61.712 88.033 1.00 86.50 C ATOM 630 O LEU A 97 81.179 -61.177 86.939 1.00 87.07 O ATOM 631 CB LEU A 97 78.767 -61.091 88.902 1.00 85.16 C ATOM 632 CG LEU A 97 77.859 -60.991 90.117 1.00 92.05 C ATOM 633 CD1 LEU A 97 76.366 -60.960 89.687 1.00 92.88 C ATOM 634 CD2 LEU A 97 78.123 -62.118 91.110 1.00 96.76 C ATOM 635 H LEU A 97 80.004 -58.874 88.615 1.00 0.00 H ATOM 636 N VAL A 98 81.394 -62.953 88.301 1.00 81.37 N ATOM 637 CA VAL A 98 82.026 -63.834 87.320 1.00 81.12 C ATOM 638 C VAL A 98 81.600 -65.270 87.575 1.00 87.38 C ATOM 639 O VAL A 98 81.273 -65.629 88.707 1.00 88.17 O ATOM 640 CB VAL A 98 83.579 -63.726 87.218 1.00 83.77 C ATOM 641 CG1 VAL A 98 84.015 -62.503 86.431 1.00 81.40 C ATOM 642 CG2 VAL A 98 84.259 -63.782 88.583 1.00 83.65 C ATOM 643 H VAL A 98 81.243 -63.318 89.263 1.00 0.00 H ATOM 644 N LEU A 99 81.652 -66.081 86.531 1.00 84.82 N ATOM 645 CA LEU A 99 81.395 -67.506 86.569 1.00 88.27 C ATOM 646 C LEU A 99 82.744 -68.177 86.481 1.00 95.77 C ATOM 647 O LEU A 99 83.622 -67.640 85.800 1.00 96.21 O ATOM 648 CB LEU A 99 80.611 -67.918 85.319 1.00 89.40 C ATOM 649 CG LEU A 99 79.130 -68.154 85.468 1.00 95.17 C ATOM 650 CD1 LEU A 99 78.356 -66.833 85.535 1.00 93.45 C ATOM 651 CD2 LEU A 99 78.640 -69.003 84.338 1.00 96.88 C ATOM 652 H LEU A 99 81.897 -65.663 85.611 1.00 0.00 H ATOM 653 N ARG A 100 82.914 -69.355 87.134 1.00 93.94 N ATOM 654 CA ARG A 100 84.122 -70.202 87.081 1.00 94.72 C ATOM 655 C ARG A 100 83.662 -71.653 86.819 1.00103.33 C ATOM 656 O ARG A 100 82.469 -71.932 86.919 1.00103.45 O ATOM 657 CB ARG A 100 84.973 -70.082 88.366 1.00 91.63 C ATOM 658 CG ARG A 100 85.486 -68.660 88.661 1.00 91.79 C ATOM 659 CD ARG A 100 86.875 -68.554 89.261 1.00 91.12 C ATOM 660 NE ARG A 100 87.927 -68.755 88.257 1.00114.43 N ATOM 661 CZ ARG A 100 88.509 -69.927 87.987 1.00142.26 C ATOM 662 NH1 ARG A 100 88.156 -71.024 88.648 1.00138.37 N ATOM 663 NH2 ARG A 100 89.450 -70.007 87.057 1.00130.03 N ATOM 664 HE ARG A 100 88.242 -67.924 87.716 1.00 0.00 H ATOM 665 HH12 ARG A 100 88.614 -71.932 88.431 1.00 0.00 H ATOM 666 HH11 ARG A 100 87.421 -70.975 89.382 1.00 0.00 H ATOM 667 HH22 ARG A 100 89.900 -70.921 86.850 1.00 0.00 H ATOM 668 HH21 ARG A 100 89.738 -69.155 86.534 1.00 0.00 H ATOM 669 H ARG A 100 82.125 -69.690 87.723 1.00 0.00 H ATOM 670 N ARG A 101 84.576 -72.561 86.447 1.00104.19 N ATOM 671 CA ARG A 101 84.239 -73.958 86.129 1.00108.01 C ATOM 672 C ARG A 101 85.315 -74.987 86.548 1.00119.69 C ATOM 673 O ARG A 101 86.502 -74.657 86.526 1.00119.43 O ATOM 674 CB ARG A 101 83.925 -74.097 84.628 1.00106.34 C ATOM 675 CG ARG A 101 85.072 -73.683 83.675 1.00110.14 C ATOM 676 CD ARG A 101 85.003 -74.435 82.357 1.00122.02 C ATOM 677 NE ARG A 101 84.786 -73.561 81.201 1.00131.02 N ATOM 678 CZ ARG A 101 85.582 -73.517 80.133 1.00145.19 C ATOM 679 NH1 ARG A 101 86.658 -74.292 80.064 1.00131.12 N ATOM 680 NH2 ARG A 101 85.310 -72.695 79.129 1.00131.21 N ATOM 681 HE ARG A 101 83.956 -72.934 81.215 1.00 0.00 H ATOM 682 HH12 ARG A 101 87.275 -74.252 79.227 1.00 0.00 H ATOM 683 HH11 ARG A 101 86.884 -74.939 80.846 1.00 0.00 H ATOM 684 HH22 ARG A 101 85.935 -72.665 78.298 1.00 0.00 H ATOM 685 HH21 ARG A 101 84.472 -72.080 79.172 1.00 0.00 H ATOM 686 H ARG A 101 85.570 -72.264 86.380 1.00 0.00 H ATOM 687 N GLU A 102 84.901 -76.239 86.899 1.00123.16 N ATOM 688 CA GLU A 102 85.809 -77.344 87.291 1.00128.47 C ATOM 689 C GLU A 102 85.918 -78.364 86.119 1.00138.40 C ATOM 690 O GLU A 102 84.860 -78.863 85.714 1.00138.75 O ATOM 691 CB GLU A 102 85.357 -78.015 88.606 1.00132.23 C ATOM 692 CG GLU A 102 85.630 -77.187 89.860 1.00144.73 C ATOM 693 CD GLU A 102 84.674 -76.038 90.164 1.00173.23 C ATOM 694 OE1 GLU A 102 83.662 -76.272 90.865 1.00172.54 O ATOM 695 OE2 GLU A 102 84.966 -74.892 89.749 1.00166.14 O ATOM 696 H GLU A 102 83.879 -76.431 86.891 1.00 0.00 H ATOM 697 N PRO A 103 87.105 -78.639 85.473 1.00137.85 N ATOM 698 CA PRO A 103 88.514 -78.232 85.732 1.00140.53 C ATOM 699 C PRO A 103 88.774 -76.833 86.293 1.00158.71 C ATOM 700 O PRO A 103 89.705 -76.640 87.077 1.00110.60 O ATOM 701 CB PRO A 103 89.182 -78.380 84.347 1.00142.54 C ATOM 702 CG PRO A 103 88.111 -78.950 83.408 1.00147.32 C ATOM 703 CD PRO A 103 87.087 -79.556 84.325 1.00143.28 C TER 704 PRO A 103 ATOM 705 N PRO A 107 83.949 -80.289 83.520 1.00136.15 N ATOM 706 CA PRO A 107 82.963 -79.288 83.061 1.00132.25 C ATOM 707 C PRO A 107 81.610 -79.352 83.796 1.00133.67 C ATOM 708 O PRO A 107 80.693 -78.605 83.446 1.00130.08 O ATOM 709 CB PRO A 107 82.823 -79.587 81.558 1.00135.44 C ATOM 710 CG PRO A 107 83.739 -80.791 81.270 1.00144.44 C ATOM 711 CD PRO A 107 84.110 -81.405 82.569 1.00141.51 C ATOM 712 HN2 PRO A 107 83.634 -80.673 84.434 1.00 0.00 H ATOM 713 HN1 PRO A 107 84.869 -79.819 83.641 1.00 0.00 H ATOM 714 N ASN A 108 81.496 -80.233 84.826 1.00131.94 N ATOM 715 CA ASN A 108 80.279 -80.522 85.606 1.00131.87 C ATOM 716 C ASN A 108 79.974 -79.560 86.790 1.00131.02 C ATOM 717 O ASN A 108 78.967 -79.765 87.474 1.00131.98 O ATOM 718 CB ASN A 108 80.277 -81.994 86.105 1.00137.18 C ATOM 719 CG ASN A 108 81.428 -82.448 87.009 1.00154.94 C ATOM 720 OD1 ASN A 108 81.856 -81.752 87.945 1.00145.00 O ATOM 721 ND2 ASN A 108 81.884 -83.691 86.812 1.00146.25 N ATOM 722 HD22 ASN A 108 81.516 -84.261 86.024 1.00 0.00 H ATOM 723 HD21 ASN A 108 82.606 -84.087 87.447 1.00 0.00 H ATOM 724 H ASN A 108 82.355 -80.756 85.090 1.00 0.00 H ATOM 725 N SER A 109 80.803 -78.527 87.034 1.00121.90 N ATOM 726 CA SER A 109 80.524 -77.596 88.130 1.00117.68 C ATOM 727 C SER A 109 80.857 -76.148 87.797 1.00115.36 C ATOM 728 O SER A 109 81.830 -75.886 87.094 1.00114.53 O ATOM 729 CB SER A 109 81.222 -78.033 89.408 1.00121.19 C ATOM 730 OG SER A 109 80.923 -77.114 90.444 1.00125.52 O ATOM 731 HG SER A 109 81.239 -76.212 90.185 1.00 0.00 H ATOM 732 H SER A 109 81.646 -78.389 86.441 1.00 0.00 H ATOM 733 N PHE A 110 80.029 -75.210 88.289 1.00107.62 N ATOM 734 CA PHE A 110 80.181 -73.767 88.052 1.00102.75 C ATOM 735 C PHE A 110 80.006 -72.971 89.308 1.00104.05 C ATOM 736 O PHE A 110 79.291 -73.394 90.215 1.00104.69 O ATOM 737 CB PHE A 110 79.198 -73.255 87.003 1.00103.02 C ATOM 738 CG PHE A 110 79.154 -74.116 85.776 1.00106.58 C ATOM 739 CD1 PHE A 110 80.025 -73.889 84.720 1.00108.41 C ATOM 740 CD2 PHE A 110 78.266 -75.188 85.690 1.00112.20 C ATOM 741 CE1 PHE A 110 79.980 -74.688 83.588 1.00111.40 C ATOM 742 CE2 PHE A 110 78.241 -76.006 84.565 1.00116.56 C ATOM 743 CZ PHE A 110 79.085 -75.741 83.515 1.00113.60 C ATOM 744 H PHE A 110 79.230 -75.525 88.875 1.00 0.00 H ATOM 745 N ARG A 111 80.610 -71.788 89.351 1.00 97.67 N ATOM 746 CA ARG A 111 80.544 -70.976 90.554 1.00 96.61 C ATOM 747 C ARG A 111 80.464 -69.487 90.253 1.00 98.46 C ATOM 748 O ARG A 111 81.351 -68.944 89.588 1.00 96.55 O ATOM 749 CB ARG A 111 81.747 -71.317 91.490 1.00 95.73 C ATOM 750 CG ARG A 111 81.813 -70.522 92.788 1.00 99.86 C ATOM 751 CD ARG A 111 83.097 -70.784 93.526 1.00118.07 C ATOM 752 NE ARG A 111 84.068 -69.714 93.304 1.00131.29 N ATOM 753 CZ ARG A 111 84.653 -69.011 94.271 1.00144.11 C ATOM 754 NH1 ARG A 111 84.371 -69.259 95.549 1.00124.85 N ATOM 755 NH2 ARG A 111 85.524 -68.054 93.969 1.00128.39 N ATOM 756 HE ARG A 111 84.319 -69.486 92.321 1.00 0.00 H ATOM 757 HH12 ARG A 111 84.832 -68.706 96.300 1.00 0.00 H ATOM 758 HH11 ARG A 111 83.690 -70.006 95.796 1.00 0.00 H ATOM 759 HH22 ARG A 111 85.979 -67.507 94.727 1.00 0.00 H ATOM 760 HH21 ARG A 111 85.751 -67.852 92.974 1.00 0.00 H ATOM 761 H ARG A 111 81.132 -71.442 88.521 1.00 0.00 H ATOM 762 N LEU A 112 79.424 -68.827 90.783 1.00 95.66 N ATOM 763 CA LEU A 112 79.254 -67.385 90.679 1.00 94.30 C ATOM 764 C LEU A 112 80.017 -66.748 91.828 1.00 96.77 C ATOM 765 O LEU A 112 79.791 -67.102 92.993 1.00 97.90 O ATOM 766 CB LEU A 112 77.779 -66.999 90.751 1.00 95.56 C ATOM 767 CG LEU A 112 77.086 -66.695 89.442 1.00100.74 C ATOM 768 CD1 LEU A 112 75.617 -66.545 89.687 1.00102.57 C ATOM 769 CD2 LEU A 112 77.613 -65.408 88.820 1.00102.44 C ATOM 770 H LEU A 112 78.702 -69.373 91.295 1.00 0.00 H ATOM 771 N GLU A 113 80.958 -65.858 91.501 1.00 91.06 N ATOM 772 CA GLU A 113 81.823 -65.211 92.496 1.00 89.78 C ATOM 773 C GLU A 113 82.042 -63.745 92.175 1.00 91.68 C ATOM 774 O GLU A 113 82.014 -63.356 91.014 1.00 91.62 O ATOM 775 CB GLU A 113 83.178 -65.940 92.601 1.00 91.50 C ATOM 776 H GLU A 113 81.084 -65.613 90.498 1.00 0.00 H ATOM 777 N LYS A 114 82.253 -62.941 93.192 1.00 86.79 N ATOM 778 CA LYS A 114 82.503 -61.529 93.018 1.00 85.31 C ATOM 779 C LYS A 114 84.026 -61.269 93.019 1.00 90.39 C ATOM 780 O LYS A 114 84.720 -61.733 93.918 1.00 91.31 O ATOM 781 CB LYS A 114 81.812 -60.748 94.144 1.00 88.76 C ATOM 782 CG LYS A 114 80.332 -60.498 93.903 1.00112.90 C ATOM 783 CD LYS A 114 79.684 -59.741 95.064 1.00125.66 C ATOM 784 CE LYS A 114 78.645 -58.748 94.591 1.00138.33 C ATOM 785 NZ LYS A 114 77.328 -59.004 95.218 1.00145.82 N ATOM 786 HZ1 LYS A 114 77.007 -59.962 94.969 1.00 0.00 H ATOM 787 HZ2 LYS A 114 77.416 -58.924 96.251 1.00 0.00 H ATOM 788 HZ3 LYS A 114 76.639 -58.306 94.872 1.00 0.00 H ATOM 789 H LYS A 114 82.240 -63.334 94.155 1.00 0.00 H ATOM 790 N ILE A 115 84.551 -60.554 92.015 1.00 87.16 N ATOM 791 CA ILE A 115 85.983 -60.229 91.974 1.00 87.53 C ATOM 792 C ILE A 115 86.176 -58.709 91.885 1.00 90.19 C ATOM 793 O ILE A 115 85.257 -58.014 91.447 1.00 89.65 O ATOM 794 CB ILE A 115 86.813 -61.040 90.905 1.00 91.54 C ATOM 795 CG1 ILE A 115 88.351 -61.000 91.200 1.00 93.12 C ATOM 796 CG2 ILE A 115 86.513 -60.659 89.412 1.00 88.85 C ATOM 797 CD1 ILE A 115 88.867 -61.083 92.770 1.00101.76 C ATOM 798 H ILE A 115 83.932 -60.222 91.248 1.00 0.00 H ATOM 799 N LEU A 116 87.340 -58.198 92.337 1.00 85.08 N ATOM 800 CA LEU A 116 87.645 -56.777 92.298 1.00 83.76 C ATOM 801 C LEU A 116 88.613 -56.466 91.162 1.00 89.33 C ATOM 802 O LEU A 116 89.742 -56.963 91.118 1.00 90.44 O ATOM 803 CB LEU A 116 88.180 -56.294 93.642 1.00 84.02 C ATOM 804 CG LEU A 116 87.925 -54.846 93.993 1.00 87.59 C ATOM 805 CD1 LEU A 116 86.486 -54.637 94.328 1.00 88.26 C ATOM 806 CD2 LEU A 116 88.765 -54.429 95.183 1.00 88.77 C ATOM 807 H LEU A 116 88.050 -58.849 92.730 1.00 0.00 H ATOM 808 N VAL A 117 88.140 -55.652 90.221 1.00 86.14 N ATOM 809 CA VAL A 117 88.884 -55.242 89.028 1.00 85.51 C ATOM 810 C VAL A 117 89.070 -53.704 88.961 1.00 87.78 C ATOM 811 O VAL A 117 88.173 -52.943 89.354 1.00 86.91 O ATOM 812 CB VAL A 117 88.278 -55.836 87.723 1.00 88.57 C ATOM 813 CG1 VAL A 117 88.141 -57.351 87.833 1.00 89.26 C ATOM 814 CG2 VAL A 117 86.936 -55.199 87.374 1.00 87.25 C ATOM 815 H VAL A 117 87.176 -55.282 90.341 1.00 0.00 H ATOM 816 N SER A 118 90.247 -53.281 88.464 1.00 82.37 N ATOM 817 CA SER A 118 90.641 -51.892 88.319 1.00 81.12 C ATOM 818 C SER A 118 90.381 -51.373 86.917 1.00 80.67 C ATOM 819 O SER A 118 91.194 -51.590 86.019 1.00 79.14 O ATOM 820 CB SER A 118 92.102 -51.701 88.713 1.00 86.75 C ATOM 821 OG SER A 118 92.963 -52.374 87.813 1.00 96.24 O ATOM 822 HG SER A 118 92.830 -52.015 86.900 1.00 0.00 H ATOM 823 H SER A 118 90.927 -54.006 88.160 1.00 0.00 H ATOM 824 N VAL A 119 89.258 -50.616 86.781 1.00 76.68 N ATOM 825 CA VAL A 119 88.648 -49.994 85.589 1.00 76.85 C ATOM 826 C VAL A 119 89.480 -48.866 84.972 1.00 82.74 C ATOM 827 O VAL A 119 89.474 -48.671 83.750 1.00 79.79 O ATOM 828 CB VAL A 119 87.247 -49.463 85.921 1.00 81.36 C ATOM 829 CG1 VAL A 119 86.429 -49.247 84.664 1.00 82.49 C ATOM 830 CG2 VAL A 119 86.508 -50.377 86.881 1.00 81.18 C ATOM 831 H VAL A 119 88.742 -50.447 87.668 1.00 0.00 H ATOM 832 N GLY A 120 90.163 -48.106 85.816 1.00 84.27 N ATOM 833 CA GLY A 120 90.964 -46.991 85.319 1.00 87.04 C ATOM 834 C GLY A 120 91.643 -46.190 86.400 1.00 93.47 C ATOM 835 O GLY A 120 91.629 -46.591 87.564 1.00 92.29 O ATOM 836 H GLY A 120 90.128 -48.305 86.836 1.00 0.00 H ATOM 837 N CYS A 121 92.241 -45.060 86.012 1.00 92.32 N ATOM 838 CA CYS A 121 92.924 -44.193 86.952 1.00 93.81 C ATOM 839 C CYS A 121 92.322 -42.790 86.991 1.00 98.62 C ATOM 840 O CYS A 121 91.868 -42.268 85.978 1.00101.07 O ATOM 841 CB CYS A 121 94.430 -44.153 86.688 1.00 96.04 C ATOM 842 SG CYS A 121 95.261 -45.767 86.762 1.00100.10 S ATOM 843 H CYS A 121 92.216 -44.795 85.007 1.00 0.00 H ATOM 844 N THR A 122 92.335 -42.194 88.172 1.00 93.69 N ATOM 845 CA THR A 122 91.924 -40.826 88.470 1.00 93.90 C ATOM 846 C THR A 122 93.105 -40.163 89.189 1.00 95.99 C ATOM 847 O THR A 122 94.008 -40.852 89.629 1.00 93.24 O ATOM 848 CB THR A 122 90.590 -40.775 89.249 1.00102.85 C ATOM 849 OG1 THR A 122 90.078 -39.435 89.236 1.00107.53 O ATOM 850 CG2 THR A 122 90.714 -41.294 90.684 1.00 97.14 C ATOM 851 HG1 THR A 122 89.224 -39.405 89.735 1.00 0.00 H ATOM 852 H THR A 122 92.675 -42.762 88.974 1.00 0.00 H ATOM 853 N CYS A 123 93.113 -38.849 89.276 1.00 95.77 N ATOM 854 CA CYS A 123 94.197 -38.113 89.900 1.00 97.87 C ATOM 855 C CYS A 123 93.724 -37.526 91.222 1.00100.93 C ATOM 856 O CYS A 123 92.793 -36.708 91.242 1.00101.02 O ATOM 857 CB CYS A 123 94.708 -37.036 88.951 1.00101.18 C ATOM 858 SG CYS A 123 96.288 -36.310 89.438 1.00107.78 S ATOM 859 H CYS A 123 92.311 -38.318 88.882 1.00 0.00 H ATOM 860 N VAL A 124 94.329 -37.981 92.329 1.00 96.05 N ATOM 861 CA VAL A 124 93.931 -37.503 93.640 1.00 97.07 C ATOM 862 C VAL A 124 94.813 -36.332 94.079 1.00105.89 C ATOM 863 O VAL A 124 95.975 -36.259 93.670 1.00104.91 O ATOM 864 CB VAL A 124 93.809 -38.623 94.709 1.00 99.07 C ATOM 865 CG1 VAL A 124 92.978 -39.782 94.191 1.00 96.80 C ATOM 866 CG2 VAL A 124 95.162 -39.107 95.212 1.00 98.70 C ATOM 867 H VAL A 124 95.091 -38.684 92.247 1.00 0.00 H ATOM 868 N THR A 125 94.246 -35.403 94.882 1.00106.98 N ATOM 869 CA THR A 125 94.975 -34.227 95.381 1.00110.52 C ATOM 870 C THR A 125 94.817 -34.043 96.875 1.00115.67 C ATOM 871 O THR A 125 93.727 -34.263 97.404 1.00114.48 O ATOM 872 CB THR A 125 94.518 -32.924 94.696 1.00125.74 C ATOM 873 OG1 THR A 125 93.102 -32.808 94.806 1.00128.97 O ATOM 874 CG2 THR A 125 94.957 -32.825 93.252 1.00124.99 C ATOM 875 HG1 THR A 125 92.847 -32.788 95.762 1.00 0.00 H ATOM 876 H THR A 125 93.251 -35.526 95.159 1.00 0.00 H ATOM 877 N PRO A 126 95.864 -33.558 97.568 1.00114.98 N ATOM 878 CA PRO A 126 95.723 -33.298 99.008 1.00116.35 C ATOM 879 C PRO A 126 94.791 -32.106 99.268 1.00125.42 C ATOM 880 O PRO A 126 93.885 -32.202 100.100 1.00126.96 O ATOM 881 CB PRO A 126 97.162 -33.013 99.467 1.00118.81 C ATOM 882 CG PRO A 126 98.041 -33.418 98.340 1.00122.36 C ATOM 883 CD PRO A 126 97.222 -33.226 97.102 1.00117.65 C ATOM 884 N ILE A 127 94.982 -31.010 98.520 1.00124.00 N ATOM 885 CA ILE A 127 94.190 -29.787 98.628 1.00126.60 C ATOM 886 C ILE A 127 92.786 -29.993 98.027 1.00129.60 C ATOM 887 O ILE A 127 92.656 -30.657 96.998 1.00127.70 O ATOM 888 CB ILE A 127 94.980 -28.601 97.990 1.00132.78 C ATOM 889 CG1 ILE A 127 96.216 -28.215 98.856 1.00133.75 C ATOM 890 CG2 ILE A 127 94.085 -27.374 97.730 1.00137.85 C ATOM 891 CD1 ILE A 127 97.464 -27.679 98.065 1.00138.07 C ATOM 892 H ILE A 127 95.746 -31.032 97.815 1.00 0.00 H ATOM 893 N VAL A 128 91.743 -29.442 98.695 1.00127.42 N ATOM 894 CA VAL A 128 90.334 -29.513 98.277 1.00148.51 C ATOM 895 C VAL A 128 89.689 -28.108 98.377 1.00151.70 C ATOM 896 O VAL A 128 88.866 -27.728 97.541 1.00109.85 O ATOM 897 CB VAL A 128 89.545 -30.589 99.085 1.00150.57 C ATOM 898 CG1 VAL A 128 88.083 -30.659 98.653 1.00150.98 C ATOM 899 CG2 VAL A 128 90.191 -31.965 98.963 1.00146.95 C ATOM 900 H VAL A 128 91.956 -28.928 99.574 1.00 0.00 H TER 901 VAL A 128 ATOM 902 N ASN C 36 79.192 -50.380 99.133 1.00151.19 N ATOM 903 CA ASN C 36 79.187 -48.919 99.127 1.00151.17 C ATOM 904 C ASN C 36 80.636 -48.341 99.254 1.00153.41 C ATOM 905 O ASN C 36 81.270 -48.478 100.314 1.00153.72 O ATOM 906 CB ASN C 36 78.216 -48.364 100.214 1.00152.19 C ATOM 907 CG ASN C 36 77.735 -46.926 100.048 1.00165.43 C ATOM 908 OD1 ASN C 36 77.513 -46.420 98.939 1.00152.62 O ATOM 909 ND2 ASN C 36 77.489 -46.257 101.168 1.00158.81 N ATOM 910 HD22 ASN C 36 77.682 -46.698 102.090 1.00 0.00 H ATOM 911 HD21 ASN C 36 77.104 -45.292 101.123 1.00 0.00 H ATOM 912 HN3 ASN C 36 79.606 -50.720 100.024 1.00 0.00 H ATOM 913 HN2 ASN C 36 79.757 -50.727 98.332 1.00 0.00 H ATOM 914 HN1 ASN C 36 78.216 -50.729 99.047 1.00 0.00 H ATOM 915 N PRO C 37 81.189 -47.724 98.169 1.00146.98 N ATOM 916 CA PRO C 37 82.520 -47.110 98.278 1.00145.86 C ATOM 917 C PRO C 37 82.438 -45.775 99.025 1.00149.22 C ATOM 918 O PRO C 37 83.457 -45.346 99.558 1.00150.04 O ATOM 919 CB PRO C 37 82.979 -46.957 96.826 1.00145.99 C ATOM 920 CG PRO C 37 81.837 -47.471 95.973 1.00149.89 C ATOM 921 CD PRO C 37 80.617 -47.483 96.832 1.00147.01 C ATOM 922 N LYS C 38 81.206 -45.165 99.155 1.00144.08 N ATOM 923 CA LYS C 38 80.892 -43.943 99.945 1.00144.36 C ATOM 924 C LYS C 38 81.337 -44.200 101.422 1.00146.78 C ATOM 925 O LYS C 38 81.583 -43.267 102.192 1.00147.77 O ATOM 926 CB LYS C 38 79.367 -43.652 99.889 1.00146.28 C ATOM 927 CG LYS C 38 78.955 -42.179 99.717 1.00143.55 C ATOM 928 CD LYS C 38 79.244 -41.256 100.926 1.00149.05 C ATOM 929 CE LYS C 38 78.453 -41.524 102.194 1.00150.94 C ATOM 930 NZ LYS C 38 78.947 -40.707 103.342 1.00150.21 N ATOM 931 HZ1 LYS C 38 79.945 -40.936 103.525 1.00 0.00 H ATOM 932 HZ2 LYS C 38 78.859 -39.697 103.110 1.00 0.00 H ATOM 933 HZ3 LYS C 38 78.380 -40.920 104.187 1.00 0.00 H ATOM 934 H LYS C 38 80.413 -45.606 98.647 1.00 0.00 H ATOM 935 N ARG C 39 81.485 -45.509 101.749 1.00140.41 N ATOM 936 CA ARG C 39 81.930 -46.138 102.987 1.00139.88 C ATOM 937 C ARG C 39 83.333 -46.811 102.818 1.00137.39 C ATOM 938 O ARG C 39 84.039 -46.970 103.827 1.00139.35 O ATOM 939 CB ARG C 39 80.912 -47.218 103.405 1.00140.82 C ATOM 940 CG ARG C 39 79.636 -46.710 104.066 1.00152.89 C ATOM 941 CD ARG C 39 78.514 -47.739 103.985 1.00160.70 C ATOM 942 NE ARG C 39 78.928 -49.084 104.401 1.00166.13 N ATOM 943 CZ ARG C 39 78.640 -49.638 105.577 1.00176.70 C ATOM 944 NH1 ARG C 39 79.053 -50.867 105.858 1.00161.10 N ATOM 945 NH2 ARG C 39 77.927 -48.968 106.479 1.00158.94 N ATOM 946 HE ARG C 39 79.487 -49.646 103.728 1.00 0.00 H ATOM 947 HH12 ARG C 39 78.825 -51.295 106.778 1.00 0.00 H ATOM 948 HH11 ARG C 39 79.605 -51.403 105.158 1.00 0.00 H ATOM 949 HH22 ARG C 39 77.705 -49.406 107.396 1.00 0.00 H ATOM 950 HH21 ARG C 39 77.592 -48.007 106.267 1.00 0.00 H ATOM 951 H ARG C 39 81.240 -46.175 100.989 1.00 0.00 H ATOM 952 N SER C 40 83.717 -47.244 101.579 1.00125.54 N ATOM 953 CA SER C 40 85.005 -47.923 101.357 1.00122.26 C ATOM 954 C SER C 40 86.128 -47.017 100.860 1.00120.27 C ATOM 955 O SER C 40 87.163 -46.970 101.516 1.00121.32 O ATOM 956 CB SER C 40 84.856 -49.131 100.437 1.00124.11 C ATOM 957 OG SER C 40 86.108 -49.769 100.233 1.00128.41 O ATOM 958 HG SER C 40 85.986 -50.548 99.634 1.00 0.00 H ATOM 959 H SER C 40 83.081 -47.089 100.770 1.00 0.00 H ATOM 960 N SER C 41 85.961 -46.362 99.688 1.00110.44 N ATOM 961 CA SER C 41 86.950 -45.459 99.096 1.00108.30 C ATOM 962 C SER C 41 86.425 -44.028 99.010 1.00108.76 C ATOM 963 O SER C 41 85.369 -43.780 98.436 1.00108.54 O ATOM 964 CB SER C 41 87.397 -45.958 97.721 1.00109.51 C ATOM 965 OG SER C 41 87.479 -44.926 96.745 1.00114.64 O ATOM 966 HG SER C 41 86.589 -44.506 96.635 1.00 0.00 H ATOM 967 H SER C 41 85.070 -46.510 99.173 1.00 0.00 H ATOM 968 N ASP C 42 87.190 -43.083 99.533 1.00103.53 N ATOM 969 CA ASP C 42 86.802 -41.683 99.496 1.00103.04 C ATOM 970 C ASP C 42 87.425 -40.902 98.323 1.00105.79 C ATOM 971 O ASP C 42 87.433 -39.666 98.374 1.00107.93 O ATOM 972 CB ASP C 42 87.104 -41.014 100.843 1.00106.82 C ATOM 973 CG ASP C 42 88.536 -40.548 101.058 1.00112.35 C ATOM 974 OD1 ASP C 42 89.477 -41.318 100.731 1.00109.62 O ATOM 975 OD2 ASP C 42 88.716 -39.405 101.514 1.00119.79 O ATOM 976 H ASP C 42 88.090 -43.349 99.981 1.00 0.00 H ATOM 977 N TYR C 43 87.927 -41.600 97.266 1.00 98.00 N ATOM 978 CA TYR C 43 88.526 -40.913 96.110 1.00 97.14 C ATOM 979 C TYR C 43 87.555 -39.897 95.459 1.00101.29 C ATOM 980 O TYR C 43 87.985 -38.814 95.043 1.00101.93 O ATOM 981 CB TYR C 43 88.990 -41.901 95.006 1.00 94.99 C ATOM 982 CG TYR C 43 90.191 -42.755 95.316 1.00 93.82 C ATOM 983 CD1 TYR C 43 91.201 -42.297 96.148 1.00 97.78 C ATOM 984 CD2 TYR C 43 90.337 -44.012 94.743 1.00 92.71 C ATOM 985 CE1 TYR C 43 92.304 -43.095 96.454 1.00100.76 C ATOM 986 CE2 TYR C 43 91.439 -44.818 95.032 1.00 94.56 C ATOM 987 CZ TYR C 43 92.419 -44.360 95.898 1.00104.88 C ATOM 988 OH TYR C 43 93.517 -45.147 96.191 1.00104.53 O ATOM 989 HH TYR C 43 94.109 -44.664 96.821 1.00 0.00 H ATOM 990 H TYR C 43 87.886 -42.639 97.276 1.00 0.00 H ATOM 991 N TYR C 44 86.253 -40.257 95.364 1.00 95.86 N ATOM 992 CA TYR C 44 85.231 -39.422 94.734 1.00 95.07 C ATOM 993 C TYR C 44 85.349 -37.962 95.102 1.00100.47 C ATOM 994 O TYR C 44 85.161 -37.112 94.250 1.00100.81 O ATOM 995 CB TYR C 44 83.796 -39.947 94.995 1.00 95.19 C ATOM 996 CG TYR C 44 83.323 -39.856 96.428 1.00 98.27 C ATOM 997 CD1 TYR C 44 83.372 -40.963 97.272 1.00 99.65 C ATOM 998 CD2 TYR C 44 82.760 -38.685 96.923 1.00101.28 C ATOM 999 CE1 TYR C 44 82.893 -40.895 98.581 1.00101.52 C ATOM 1000 CE2 TYR C 44 82.327 -38.592 98.242 1.00104.30 C ATOM 1001 CZ TYR C 44 82.375 -39.703 99.062 1.00109.94 C ATOM 1002 OH TYR C 44 81.929 -39.580 100.354 1.00113.05 O ATOM 1003 HH TYR C 44 82.023 -40.449 100.818 1.00 0.00 H ATOM 1004 H TYR C 44 85.965 -41.175 95.760 1.00 0.00 H ATOM 1005 N ASN C 45 85.702 -37.687 96.357 1.00 97.49 N ATOM 1006 CA ASN C 45 85.789 -36.359 96.941 1.00 99.42 C ATOM 1007 C ASN C 45 87.169 -35.704 96.823 1.00102.10 C ATOM 1008 O ASN C 45 87.275 -34.492 97.016 1.00103.75 O ATOM 1009 CB ASN C 45 85.376 -36.460 98.405 1.00103.08 C ATOM 1010 CG ASN C 45 84.579 -35.291 98.872 1.00137.23 C ATOM 1011 OD1 ASN C 45 85.120 -34.356 99.456 1.00140.55 O ATOM 1012 ND2 ASN C 45 83.277 -35.318 98.627 1.00129.10 N ATOM 1013 HD22 ASN C 45 82.858 -36.129 98.129 1.00 0.00 H ATOM 1014 HD21 ASN C 45 82.674 -34.528 98.933 1.00 0.00 H ATOM 1015 H ASN C 45 85.936 -38.492 96.972 1.00 0.00 H ATOM 1016 N ARG C 46 88.215 -36.498 96.514 1.00 95.28 N ATOM 1017 CA ARG C 46 89.614 -36.049 96.454 1.00 95.37 C ATOM 1018 C ARG C 46 90.205 -36.051 95.074 1.00 97.92 C ATOM 1019 O ARG C 46 91.412 -35.799 94.923 1.00 97.82 O ATOM 1020 CB ARG C 46 90.481 -36.937 97.325 1.00 92.58 C ATOM 1021 CG ARG C 46 89.910 -37.217 98.680 1.00 96.75 C ATOM 1022 CD ARG C 46 90.531 -38.482 99.151 1.00103.07 C ATOM 1023 NE ARG C 46 91.971 -38.347 99.333 1.00 99.61 N ATOM 1024 CZ ARG C 46 92.808 -39.358 99.212 1.00101.83 C ATOM 1025 NH1 ARG C 46 92.358 -40.565 98.909 1.00 77.26 N ATOM 1026 NH2 ARG C 46 94.105 -39.175 99.401 1.00 96.07 N ATOM 1027 HE ARG C 46 92.356 -37.410 99.569 1.00 0.00 H ATOM 1028 HH12 ARG C 46 93.023 -41.359 98.815 1.00 0.00 H ATOM 1029 HH11 ARG C 46 91.340 -40.719 98.765 1.00 0.00 H ATOM 1030 HH22 ARG C 46 94.763 -39.975 99.305 1.00 0.00 H ATOM 1031 HH21 ARG C 46 94.467 -38.231 99.646 1.00 0.00 H ATOM 1032 H ARG C 46 88.018 -37.497 96.304 1.00 0.00 H ATOM 1033 N SER C 47 89.362 -36.386 94.080 1.00 92.84 N ATOM 1034 CA SER C 47 89.675 -36.436 92.657 1.00 90.94 C ATOM 1035 C SER C 47 89.728 -35.021 92.111 1.00 96.41 C ATOM 1036 O SER C 47 89.101 -34.135 92.702 1.00 98.44 O ATOM 1037 CB SER C 47 88.572 -37.187 91.929 1.00 91.04 C ATOM 1038 OG SER C 47 88.823 -37.172 90.535 1.00101.57 O ATOM 1039 HG SER C 47 89.693 -37.608 90.353 1.00 0.00 H ATOM 1040 H SER C 47 88.390 -36.634 94.354 1.00 0.00 H ATOM 1041 N THR C 48 90.460 -34.799 90.987 1.00 91.40 N ATOM 1042 CA THR C 48 90.513 -33.487 90.314 1.00 92.74 C ATOM 1043 C THR C 48 89.252 -33.422 89.462 1.00 96.10 C ATOM 1044 O THR C 48 88.833 -32.359 89.004 1.00 96.59 O ATOM 1045 CB THR C 48 91.710 -33.392 89.374 1.00102.93 C ATOM 1046 OG1 THR C 48 91.694 -34.521 88.491 1.00107.12 O ATOM 1047 CG2 THR C 48 93.023 -33.298 90.104 1.00102.39 C ATOM 1048 HG1 THR C 48 92.468 -34.469 87.876 1.00 0.00 H ATOM 1049 H THR C 48 91.006 -35.587 90.584 1.00 0.00 H ATOM 1050 N SER C 49 88.664 -34.608 89.253 1.00 90.95 N ATOM 1051 CA SER C 49 87.455 -34.923 88.499 1.00 89.02 C ATOM 1052 C SER C 49 86.443 -35.537 89.510 1.00 90.86 C ATOM 1053 O SER C 49 86.015 -36.680 89.316 1.00 86.66 O ATOM 1054 CB SER C 49 87.822 -35.937 87.411 1.00 91.50 C ATOM 1055 OG SER C 49 88.972 -36.696 87.776 1.00100.46 O ATOM 1056 HG SER C 49 88.789 -37.187 88.616 1.00 0.00 H ATOM 1057 H SER C 49 89.138 -35.423 89.692 1.00 0.00 H ATOM 1058 N PRO C 50 86.112 -34.848 90.642 1.00 90.80 N ATOM 1059 CA PRO C 50 85.231 -35.470 91.641 1.00 91.25 C ATOM 1060 C PRO C 50 83.836 -35.827 91.156 1.00 95.87 C ATOM 1061 O PRO C 50 83.299 -35.168 90.256 1.00 97.36 O ATOM 1062 CB PRO C 50 85.203 -34.447 92.779 1.00 95.59 C ATOM 1063 CG PRO C 50 85.507 -33.159 92.142 1.00101.10 C ATOM 1064 CD PRO C 50 86.493 -33.484 91.071 1.00 95.05 C ATOM 1065 N TRP C 51 83.258 -36.868 91.745 1.00 90.41 N ATOM 1066 CA TRP C 51 81.940 -37.297 91.348 1.00 89.76 C ATOM 1067 C TRP C 51 81.047 -37.578 92.498 1.00 96.96 C ATOM 1068 O TRP C 51 81.499 -37.718 93.625 1.00 98.90 O ATOM 1069 CB TRP C 51 82.020 -38.509 90.431 1.00 86.51 C ATOM 1070 CG TRP C 51 82.607 -39.717 91.067 1.00 86.91 C ATOM 1071 CD1 TRP C 51 81.940 -40.726 91.689 1.00 89.24 C ATOM 1072 CD2 TRP C 51 83.990 -40.046 91.142 1.00 87.04 C ATOM 1073 NE1 TRP C 51 82.818 -41.709 92.069 1.00 87.73 N ATOM 1074 CE2 TRP C 51 84.087 -41.314 91.753 1.00 89.58 C ATOM 1075 CE3 TRP C 51 85.166 -39.410 90.712 1.00 89.57 C ATOM 1076 CZ2 TRP C 51 85.313 -41.921 92.018 1.00 89.30 C ATOM 1077 CZ3 TRP C 51 86.385 -40.028 90.949 1.00 91.07 C ATOM 1078 CH2 TRP C 51 86.451 -41.252 91.624 1.00 90.94 C ATOM 1079 HE1 TRP C 51 82.560 -42.608 92.523 1.00 0.00 H ATOM 1080 H TRP C 51 83.761 -37.378 92.499 1.00 0.00 H ATOM 1081 N ASN C 52 79.772 -37.706 92.189 1.00 94.86 N ATOM 1082 CA ASN C 52 78.684 -37.994 93.095 1.00 97.00 C ATOM 1083 C ASN C 52 78.210 -39.419 92.877 1.00102.98 C ATOM 1084 O ASN C 52 78.458 -39.968 91.824 1.00102.10 O ATOM 1085 CB ASN C 52 77.547 -37.007 92.819 1.00 99.32 C ATOM 1086 CG ASN C 52 77.903 -35.566 93.128 1.00107.88 C ATOM 1087 OD1 ASN C 52 78.728 -35.277 94.010 1.00 85.87 O ATOM 1088 ND2 ASN C 52 77.262 -34.632 92.425 1.00101.28 N ATOM 1089 HD22 ASN C 52 76.577 -34.910 91.693 1.00 0.00 H ATOM 1090 HD21 ASN C 52 77.447 -33.625 92.608 1.00 0.00 H ATOM 1091 H ASN C 52 79.523 -37.587 91.186 1.00 0.00 H ATOM 1092 N LEU C 53 77.541 -40.027 93.861 1.00103.08 N ATOM 1093 CA LEU C 53 77.027 -41.386 93.725 1.00102.57 C ATOM 1094 C LEU C 53 75.531 -41.411 93.604 1.00110.20 C ATOM 1095 O LEU C 53 74.843 -40.608 94.227 1.00111.34 O ATOM 1096 CB LEU C 53 77.532 -42.313 94.835 1.00102.30 C ATOM 1097 CG LEU C 53 79.032 -42.595 94.762 1.00105.88 C ATOM 1098 CD1 LEU C 53 79.592 -42.987 96.110 1.00106.54 C ATOM 1099 CD2 LEU C 53 79.358 -43.610 93.670 1.00106.94 C ATOM 1100 H LEU C 53 77.382 -39.515 94.752 1.00 0.00 H ATOM 1101 N HIS C 54 75.028 -42.288 92.747 1.00109.65 N ATOM 1102 CA HIS C 54 73.601 -42.386 92.516 1.00113.31 C ATOM 1103 C HIS C 54 73.104 -43.784 92.703 1.00115.55 C ATOM 1104 O HIS C 54 73.657 -44.711 92.106 1.00113.21 O ATOM 1105 CB HIS C 54 73.230 -41.791 91.158 1.00115.94 C ATOM 1106 CG HIS C 54 73.296 -40.300 91.204 1.00122.79 C ATOM 1107 ND1 HIS C 54 74.514 -39.630 91.139 1.00124.80 N ATOM 1108 CD2 HIS C 54 72.313 -39.400 91.454 1.00128.52 C ATOM 1109 CE1 HIS C 54 74.224 -38.345 91.293 1.00126.78 C ATOM 1110 NE2 HIS C 54 72.913 -38.156 91.480 1.00129.23 N ATOM 1111 H HIS C 54 75.672 -42.920 92.229 1.00 0.00 H ATOM 1112 N ARG C 55 72.095 -43.960 93.581 1.00113.05 N ATOM 1113 CA ARG C 55 71.621 -45.309 93.793 1.00112.14 C ATOM 1114 C ARG C 55 70.557 -45.675 92.763 1.00115.17 C ATOM 1115 O ARG C 55 69.459 -45.106 92.706 1.00117.43 O ATOM 1116 CB ARG C 55 71.232 -45.628 95.254 1.00113.20 C ATOM 1117 CG ARG C 55 69.851 -45.272 95.753 1.00122.26 C ATOM 1118 CD ARG C 55 69.784 -45.523 97.247 1.00128.84 C ATOM 1119 NE ARG C 55 69.154 -46.800 97.584 1.00134.32 N ATOM 1120 CZ ARG C 55 69.691 -47.713 98.388 1.00146.67 C ATOM 1121 NH1 ARG C 55 70.901 -47.527 98.904 1.00135.67 N ATOM 1122 NH2 ARG C 55 69.038 -48.837 98.653 1.00127.87 N ATOM 1123 HE ARG C 55 68.224 -47.007 97.167 1.00 0.00 H ATOM 1124 HH12 ARG C 55 71.315 -48.245 99.532 1.00 0.00 H ATOM 1125 HH11 ARG C 55 71.435 -46.663 98.680 1.00 0.00 H ATOM 1126 HH22 ARG C 55 69.462 -49.548 99.282 1.00 0.00 H ATOM 1127 HH21 ARG C 55 68.103 -49.007 98.231 1.00 0.00 H ATOM 1128 H ARG C 55 71.674 -43.155 94.087 1.00 0.00 H ATOM 1129 N ASN C 56 70.988 -46.561 91.869 1.00107.85 N ATOM 1130 CA ASN C 56 70.203 -47.199 90.844 1.00107.26 C ATOM 1131 C ASN C 56 69.714 -48.449 91.579 1.00112.20 C ATOM 1132 O ASN C 56 70.436 -49.456 91.667 1.00112.03 O ATOM 1133 CB ASN C 56 71.092 -47.557 89.631 1.00104.08 C ATOM 1134 CG ASN C 56 70.477 -48.495 88.594 1.00123.12 C ATOM 1135 OD1 ASN C 56 69.508 -49.234 88.834 1.00113.48 O ATOM 1136 ND2 ASN C 56 71.080 -48.542 87.419 1.00114.50 N ATOM 1137 HD22 ASN C 56 71.891 -47.920 87.225 1.00 0.00 H ATOM 1138 HD21 ASN C 56 70.744 -49.201 86.688 1.00 0.00 H ATOM 1139 H ASN C 56 71.994 -46.819 91.915 1.00 0.00 H ATOM 1140 N GLU C 57 68.531 -48.336 92.194 1.00108.83 N ATOM 1141 CA GLU C 57 67.874 -49.418 92.931 1.00108.53 C ATOM 1142 C GLU C 57 66.908 -50.157 91.950 1.00109.44 C ATOM 1143 O GLU C 57 66.390 -49.534 91.016 1.00108.21 O ATOM 1144 CB GLU C 57 67.126 -48.806 94.132 1.00112.51 C ATOM 1145 CG GLU C 57 66.688 -49.760 95.228 1.00123.30 C ATOM 1146 CD GLU C 57 65.899 -49.098 96.346 1.00149.02 C ATOM 1147 OE1 GLU C 57 64.761 -49.550 96.603 1.00159.46 O ATOM 1148 OE2 GLU C 57 66.401 -48.123 96.954 1.00136.77 O ATOM 1149 H GLU C 57 68.045 -47.418 92.145 1.00 0.00 H ATOM 1150 N ASP C 58 66.731 -51.484 92.133 1.00104.89 N ATOM 1151 CA ASP C 58 65.841 -52.357 91.355 1.00105.94 C ATOM 1152 C ASP C 58 65.700 -53.677 92.083 1.00109.18 C ATOM 1153 O ASP C 58 66.694 -54.390 92.204 1.00106.42 O ATOM 1154 CB ASP C 58 66.378 -52.619 89.936 1.00106.96 C ATOM 1155 CG ASP C 58 65.429 -53.376 88.994 1.00123.66 C ATOM 1156 OD1 ASP C 58 64.359 -53.870 89.472 1.00125.32 O ATOM 1157 OD2 ASP C 58 65.747 -53.465 87.779 1.00129.99 O ATOM 1158 H ASP C 58 67.277 -51.930 92.898 1.00 0.00 H ATOM 1159 N PRO C 59 64.495 -54.056 92.559 1.00108.60 N ATOM 1160 CA PRO C 59 64.375 -55.343 93.268 1.00109.57 C ATOM 1161 C PRO C 59 64.443 -56.559 92.348 1.00114.88 C ATOM 1162 O PRO C 59 64.902 -57.613 92.791 1.00114.89 O ATOM 1163 CB PRO C 59 63.024 -55.256 93.983 1.00114.40 C ATOM 1164 CG PRO C 59 62.405 -54.007 93.552 1.00119.40 C ATOM 1165 CD PRO C 59 63.203 -53.355 92.489 1.00112.56 C ATOM 1166 N GLU C 60 64.019 -56.406 91.070 1.00110.28 N ATOM 1167 CA GLU C 60 63.993 -57.498 90.115 1.00109.34 C ATOM 1168 C GLU C 60 65.350 -57.751 89.425 1.00109.60 C ATOM 1169 O GLU C 60 65.398 -58.467 88.421 1.00110.48 O ATOM 1170 CB GLU C 60 62.839 -57.298 89.122 1.00113.04 C ATOM 1171 CG GLU C 60 61.659 -58.237 89.361 1.00125.70 C ATOM 1172 CD GLU C 60 61.008 -58.296 90.737 1.00151.41 C ATOM 1173 OE1 GLU C 60 61.196 -57.350 91.537 1.00145.25 O ATOM 1174 OE2 GLU C 60 60.276 -59.279 91.002 1.00146.36 O ATOM 1175 H GLU C 60 63.699 -55.466 90.761 1.00 0.00 H ATOM 1176 N ARG C 61 66.460 -57.237 89.980 1.00102.23 N ATOM 1177 CA ARG C 61 67.781 -57.578 89.435 1.00 99.72 C ATOM 1178 C ARG C 61 68.844 -57.693 90.543 1.00103.06 C ATOM 1179 O ARG C 61 68.693 -57.099 91.604 1.00103.49 O ATOM 1180 CB ARG C 61 68.238 -56.687 88.270 1.00 96.56 C ATOM 1181 CG ARG C 61 68.678 -55.314 88.666 1.00101.70 C ATOM 1182 CD ARG C 61 70.130 -55.034 88.333 1.00100.12 C ATOM 1183 NE ARG C 61 70.564 -53.872 89.108 1.00107.49 N ATOM 1184 CZ ARG C 61 70.393 -52.602 88.749 1.00111.71 C ATOM 1185 NH1 ARG C 61 69.875 -52.303 87.566 1.00 86.61 N ATOM 1186 NH2 ARG C 61 70.769 -51.624 89.557 1.00100.64 N ATOM 1187 HE ARG C 61 71.045 -54.053 90.012 1.00 0.00 H ATOM 1188 HH12 ARG C 61 69.744 -51.308 87.292 1.00 0.00 H ATOM 1189 HH11 ARG C 61 69.599 -53.063 86.912 1.00 0.00 H ATOM 1190 HH22 ARG C 61 70.633 -50.633 89.272 1.00 0.00 H ATOM 1191 HH21 ARG C 61 71.200 -51.846 90.477 1.00 0.00 H ATOM 1192 H ARG C 61 66.384 -56.597 90.796 1.00 0.00 H ATOM 1193 N TYR C 62 69.866 -58.525 90.322 1.00 98.10 N ATOM 1194 CA TYR C 62 70.928 -58.746 91.290 1.00 96.23 C ATOM 1195 C TYR C 62 72.242 -58.314 90.691 1.00 99.22 C ATOM 1196 O TYR C 62 72.600 -58.882 89.656 1.00 99.81 O ATOM 1197 CB TYR C 62 71.031 -60.229 91.670 1.00 97.74 C ATOM 1198 CG TYR C 62 72.201 -60.498 92.582 1.00 98.30 C ATOM 1199 CD1 TYR C 62 73.456 -60.793 92.069 1.00 99.54 C ATOM 1200 CD2 TYR C 62 72.067 -60.416 93.961 1.00 99.67 C ATOM 1201 CE1 TYR C 62 74.551 -60.990 92.908 1.00100.57 C ATOM 1202 CE2 TYR C 62 73.153 -60.624 94.809 1.00 99.15 C ATOM 1203 CZ TYR C 62 74.393 -60.910 94.278 1.00104.51 C ATOM 1204 OH TYR C 62 75.469 -61.115 95.101 1.00107.09 O ATOM 1205 HH TYR C 62 75.626 -60.303 95.645 1.00 0.00 H ATOM 1206 H TYR C 62 69.903 -59.037 89.418 1.00 0.00 H ATOM 1207 N PRO C 63 73.040 -57.412 91.326 1.00 94.11 N ATOM 1208 CA PRO C 63 72.781 -56.640 92.561 1.00 94.20 C ATOM 1209 C PRO C 63 71.635 -55.645 92.439 1.00 98.67 C ATOM 1210 O PRO C 63 71.557 -54.915 91.462 1.00 97.03 O ATOM 1211 CB PRO C 63 74.119 -55.937 92.818 1.00 94.24 C ATOM 1212 CG PRO C 63 74.776 -55.844 91.494 1.00 97.09 C ATOM 1213 CD PRO C 63 74.360 -57.075 90.755 1.00 93.43 C ATOM 1214 N SER C 64 70.733 -55.644 93.430 1.00 98.50 N ATOM 1215 CA SER C 64 69.539 -54.796 93.443 1.00100.15 C ATOM 1216 C SER C 64 69.845 -53.309 93.469 1.00104.54 C ATOM 1217 O SER C 64 69.283 -52.563 92.666 1.00105.10 O ATOM 1218 CB SER C 64 68.600 -55.198 94.569 1.00103.84 C ATOM 1219 OG SER C 64 68.042 -56.461 94.250 1.00109.03 O ATOM 1220 HG SER C 64 67.543 -56.394 93.397 1.00 0.00 H ATOM 1221 H SER C 64 70.890 -56.282 94.236 1.00 0.00 H ATOM 1222 N VAL C 65 70.783 -52.895 94.324 1.00 99.44 N ATOM 1223 CA VAL C 65 71.195 -51.511 94.369 1.00 98.02 C ATOM 1224 C VAL C 65 72.615 -51.363 93.782 1.00 97.58 C ATOM 1225 O VAL C 65 73.484 -52.194 94.063 1.00 93.61 O ATOM 1226 CB VAL C 65 70.999 -50.910 95.775 1.00103.36 C ATOM 1227 CG1 VAL C 65 72.248 -51.032 96.648 1.00102.14 C ATOM 1228 CG2 VAL C 65 70.545 -49.471 95.670 1.00104.39 C ATOM 1229 H VAL C 65 71.225 -53.581 94.969 1.00 0.00 H ATOM 1230 N ILE C 66 72.809 -50.365 92.887 1.00 95.11 N ATOM 1231 CA ILE C 66 74.110 -50.072 92.242 1.00 93.92 C ATOM 1232 C ILE C 66 74.457 -48.580 92.387 1.00103.52 C ATOM 1233 O ILE C 66 73.623 -47.715 92.082 1.00104.57 O ATOM 1234 CB ILE C 66 74.274 -50.580 90.754 1.00 94.26 C ATOM 1235 CG1 ILE C 66 74.026 -52.092 90.622 1.00 92.95 C ATOM 1236 CG2 ILE C 66 75.674 -50.254 90.209 1.00 92.61 C ATOM 1237 CD1 ILE C 66 73.877 -52.573 89.300 1.00 84.34 C ATOM 1238 H ILE C 66 71.995 -49.768 92.637 1.00 0.00 H ATOM 1239 N TRP C 67 75.704 -48.295 92.822 1.00101.55 N ATOM 1240 CA TRP C 67 76.207 -46.936 92.967 1.00102.91 C ATOM 1241 C TRP C 67 76.923 -46.445 91.684 1.00105.11 C ATOM 1242 O TRP C 67 78.071 -46.840 91.429 1.00106.34 O ATOM 1243 CB TRP C 67 77.085 -46.841 94.214 1.00103.13 C ATOM 1244 CG TRP C 67 76.297 -47.114 95.453 1.00106.77 C ATOM 1245 CD1 TRP C 67 76.147 -48.316 96.081 1.00109.93 C ATOM 1246 CD2 TRP C 67 75.407 -46.204 96.106 1.00109.21 C ATOM 1247 NE1 TRP C 67 75.241 -48.200 97.112 1.00111.62 N ATOM 1248 CE2 TRP C 67 74.777 -46.911 97.154 1.00114.60 C ATOM 1249 CE3 TRP C 67 75.086 -44.845 95.913 1.00111.86 C ATOM 1250 CZ2 TRP C 67 73.849 -46.308 98.011 1.00116.67 C ATOM 1251 CZ3 TRP C 67 74.179 -44.244 96.772 1.00115.92 C ATOM 1252 CH2 TRP C 67 73.572 -44.971 97.807 1.00117.98 C ATOM 1253 HE1 TRP C 67 74.955 -48.966 97.754 1.00 0.00 H ATOM 1254 H TRP C 67 76.336 -49.085 93.065 1.00 0.00 H ATOM 1255 N GLU C 68 76.217 -45.626 90.855 1.00 97.24 N ATOM 1256 CA GLU C 68 76.720 -45.044 89.603 1.00 94.10 C ATOM 1257 C GLU C 68 77.228 -43.636 89.864 1.00 95.82 C ATOM 1258 O GLU C 68 76.525 -42.833 90.477 1.00 97.15 O ATOM 1259 CB GLU C 68 75.615 -44.965 88.534 1.00 95.96 C ATOM 1260 CG GLU C 68 75.117 -46.304 88.021 1.00110.64 C ATOM 1261 CD GLU C 68 75.392 -46.654 86.568 1.00139.87 C ATOM 1262 OE1 GLU C 68 76.250 -46.003 85.929 1.00149.15 O ATOM 1263 OE2 GLU C 68 74.756 -47.612 86.075 1.00137.53 O ATOM 1264 H GLU C 68 75.242 -45.394 91.131 1.00 0.00 H ATOM 1265 N ALA C 69 78.407 -43.316 89.321 1.00 89.52 N ATOM 1266 CA ALA C 69 79.082 -42.036 89.470 1.00 89.19 C ATOM 1267 C ALA C 69 78.729 -40.973 88.437 1.00 94.96 C ATOM 1268 O ALA C 69 78.949 -41.179 87.248 1.00 95.31 O ATOM 1269 CB ALA C 69 80.563 -42.265 89.446 1.00 88.92 C ATOM 1270 H ALA C 69 78.880 -44.041 88.745 1.00 0.00 H ATOM 1271 N LYS C 70 78.233 -39.815 88.887 1.00 93.45 N ATOM 1272 CA LYS C 70 77.942 -38.665 88.023 1.00 94.37 C ATOM 1273 C LYS C 70 78.947 -37.568 88.388 1.00 98.53 C ATOM 1274 O LYS C 70 79.031 -37.177 89.551 1.00 98.82 O ATOM 1275 CB LYS C 70 76.483 -38.167 88.172 1.00 99.08 C ATOM 1276 CG LYS C 70 75.599 -38.434 86.937 1.00125.91 C ATOM 1277 CD LYS C 70 74.226 -37.675 86.951 1.00138.87 C ATOM 1278 CE LYS C 70 73.393 -37.890 85.691 1.00140.07 C ATOM 1279 NZ LYS C 70 72.135 -37.093 85.694 1.00141.97 N ATOM 1280 HZ1 LYS C 70 71.554 -37.367 86.512 1.00 0.00 H ATOM 1281 HZ2 LYS C 70 72.367 -36.081 85.755 1.00 0.00 H ATOM 1282 HZ3 LYS C 70 71.608 -37.276 84.816 1.00 0.00 H ATOM 1283 H LYS C 70 78.043 -39.725 89.906 1.00 0.00 H ATOM 1284 N CYS C 71 79.724 -37.097 87.400 1.00 95.20 N ATOM 1285 CA CYS C 71 80.748 -36.066 87.558 1.00 96.46 C ATOM 1286 C CYS C 71 80.189 -34.783 88.213 1.00 99.45 C ATOM 1287 O CYS C 71 79.044 -34.402 87.957 1.00 98.11 O ATOM 1288 CB CYS C 71 81.434 -35.779 86.222 1.00 97.93 C ATOM 1289 SG CYS C 71 82.161 -37.241 85.395 1.00100.94 S ATOM 1290 H CYS C 71 79.587 -37.496 86.449 1.00 0.00 H ATOM 1291 N ARG C 72 80.956 -34.172 89.132 1.00 96.70 N ATOM 1292 CA ARG C 72 80.485 -32.962 89.818 1.00 97.81 C ATOM 1293 C ARG C 72 80.454 -31.764 88.870 1.00100.28 C ATOM 1294 O ARG C 72 79.502 -30.976 88.903 1.00 99.91 O ATOM 1295 CB ARG C 72 81.357 -32.637 91.032 1.00 96.71 C ATOM 1296 CG ARG C 72 80.562 -32.413 92.300 1.00109.96 C ATOM 1297 CD ARG C 72 80.883 -33.488 93.329 1.00123.96 C ATOM 1298 NE ARG C 72 81.928 -33.109 94.286 1.00130.06 N ATOM 1299 CZ ARG C 72 82.400 -33.913 95.234 1.00141.84 C ATOM 1300 NH1 ARG C 72 81.930 -35.151 95.360 1.00125.27 N ATOM 1301 NH2 ARG C 72 83.348 -33.491 96.061 1.00130.13 N ATOM 1302 HE ARG C 72 82.325 -32.150 94.219 1.00 0.00 H ATOM 1303 HH12 ARG C 72 82.303 -35.776 96.103 1.00 0.00 H ATOM 1304 HH11 ARG C 72 81.190 -35.494 94.715 1.00 0.00 H ATOM 1305 HH22 ARG C 72 83.713 -34.125 96.800 1.00 0.00 H ATOM 1306 HH21 ARG C 72 83.726 -32.526 95.970 1.00 0.00 H ATOM 1307 H ARG C 72 81.893 -34.560 89.360 1.00 0.00 H ATOM 1308 N HIS C 73 81.520 -31.614 88.056 1.00 95.34 N ATOM 1309 CA HIS C 73 81.660 -30.485 87.148 1.00 95.81 C ATOM 1310 C HIS C 73 82.036 -30.904 85.739 1.00 99.44 C ATOM 1311 O HIS C 73 82.414 -32.048 85.497 1.00 96.70 O ATOM 1312 CB HIS C 73 82.744 -29.499 87.648 1.00 97.69 C ATOM 1313 CG HIS C 73 82.728 -29.209 89.112 1.00102.06 C ATOM 1314 ND1 HIS C 73 83.758 -29.616 89.936 1.00102.80 N ATOM 1315 CD2 HIS C 73 81.822 -28.529 89.848 1.00105.17 C ATOM 1316 CE1 HIS C 73 83.437 -29.194 91.139 1.00103.76 C ATOM 1317 NE2 HIS C 73 82.287 -28.526 91.134 1.00105.62 N ATOM 1318 H HIS C 73 82.271 -32.333 88.078 1.00 0.00 H ATOM 1319 N LEU C 74 81.982 -29.934 84.817 1.00 98.55 N ATOM 1320 CA LEU C 74 82.427 -30.089 83.452 1.00 97.96 C ATOM 1321 C LEU C 74 83.944 -29.965 83.523 1.00105.21 C ATOM 1322 O LEU C 74 84.620 -30.933 83.210 1.00105.45 O ATOM 1323 CB LEU C 74 81.802 -29.010 82.553 1.00 99.25 C ATOM 1324 CG LEU C 74 82.253 -28.928 81.106 1.00103.00 C ATOM 1325 CD1 LEU C 74 82.057 -30.250 80.373 1.00101.50 C ATOM 1326 CD2 LEU C 74 81.491 -27.867 80.402 1.00106.39 C ATOM 1327 H LEU C 74 81.595 -29.012 85.102 1.00 0.00 H ATOM 1328 N GLY C 75 84.459 -28.839 84.033 1.00103.80 N ATOM 1329 CA GLY C 75 85.894 -28.618 84.183 1.00104.56 C ATOM 1330 C GLY C 75 86.540 -29.474 85.259 1.00109.40 C ATOM 1331 O GLY C 75 85.919 -30.407 85.769 1.00107.82 O ATOM 1332 H GLY C 75 83.807 -28.088 84.336 1.00 0.00 H ATOM 1333 N CYS C 76 87.794 -29.156 85.628 1.00108.08 N ATOM 1334 CA CYS C 76 88.522 -29.906 86.652 1.00107.73 C ATOM 1335 C CYS C 76 89.100 -29.034 87.744 1.00114.71 C ATOM 1336 O CYS C 76 89.237 -27.840 87.556 1.00116.42 O ATOM 1337 CB CYS C 76 89.592 -30.777 86.013 1.00106.98 C ATOM 1338 SG CYS C 76 88.939 -32.259 85.219 1.00108.01 S ATOM 1339 H CYS C 76 88.262 -28.349 85.169 1.00 0.00 H ATOM 1340 N ILE C 77 89.478 -29.633 88.878 1.00111.53 N ATOM 1341 CA ILE C 77 90.095 -28.901 89.983 1.00113.57 C ATOM 1342 C ILE C 77 91.581 -28.817 89.695 1.00118.09 C ATOM 1343 O ILE C 77 92.241 -29.853 89.597 1.00115.81 O ATOM 1344 CB ILE C 77 89.820 -29.551 91.361 1.00115.99 C ATOM 1345 CG1 ILE C 77 88.353 -30.065 91.510 1.00113.87 C ATOM 1346 CG2 ILE C 77 90.222 -28.594 92.481 1.00120.75 C ATOM 1347 CD1 ILE C 77 87.180 -29.049 91.221 1.00117.99 C ATOM 1348 H ILE C 77 89.328 -30.657 88.978 1.00 0.00 H ATOM 1349 N ASN C 78 92.103 -27.597 89.521 1.00117.88 N ATOM 1350 CA ASN C 78 93.521 -27.434 89.228 1.00120.01 C ATOM 1351 C ASN C 78 94.344 -27.442 90.516 1.00130.74 C ATOM 1352 O ASN C 78 93.896 -27.986 91.535 1.00129.36 O ATOM 1353 CB ASN C 78 93.794 -26.201 88.336 1.00118.13 C ATOM 1354 CG ASN C 78 93.270 -24.882 88.855 1.00134.10 C ATOM 1355 OD1 ASN C 78 93.597 -24.430 89.959 1.00142.83 O ATOM 1356 ND2 ASN C 78 92.515 -24.180 88.029 1.00111.58 N ATOM 1357 HD22 ASN C 78 92.249 -24.575 87.104 1.00 0.00 H ATOM 1358 HD21 ASN C 78 92.186 -23.232 88.303 1.00 0.00 H ATOM 1359 H ASN C 78 91.492 -26.759 89.595 1.00 0.00 H ATOM 1360 N ALA C 79 95.553 -26.852 90.465 1.00133.68 N ATOM 1361 CA ALA C 79 96.459 -26.746 91.605 1.00137.68 C ATOM 1362 C ALA C 79 95.895 -25.754 92.632 1.00145.44 C ATOM 1363 O ALA C 79 95.689 -26.128 93.794 1.00145.86 O ATOM 1364 CB ALA C 79 97.839 -26.305 91.133 1.00141.32 C ATOM 1365 H ALA C 79 95.860 -26.447 89.558 1.00 0.00 H ATOM 1366 N ASP C 80 95.574 -24.518 92.171 1.00143.91 N ATOM 1367 CA ASP C 80 95.005 -23.427 92.964 1.00147.04 C ATOM 1368 C ASP C 80 93.674 -23.796 93.642 1.00148.06 C ATOM 1369 O ASP C 80 93.292 -23.163 94.626 1.00150.53 O ATOM 1370 CB ASP C 80 94.860 -22.155 92.100 1.00151.60 C ATOM 1371 CG ASP C 80 96.174 -21.486 91.702 1.00167.77 C ATOM 1372 OD1 ASP C 80 97.194 -21.683 92.421 1.00170.50 O ATOM 1373 OD2 ASP C 80 96.173 -20.720 90.707 1.00172.61 O ATOM 1374 H ASP C 80 95.748 -24.329 91.163 1.00 0.00 H ATOM 1375 N GLY C 81 93.010 -24.831 93.131 1.00139.08 N ATOM 1376 CA GLY C 81 91.752 -25.334 93.672 1.00135.89 C ATOM 1377 C GLY C 81 90.521 -24.701 93.060 1.00134.29 C ATOM 1378 O GLY C 81 89.503 -24.540 93.738 1.00133.99 O ATOM 1379 H GLY C 81 93.411 -25.308 92.299 1.00 0.00 H ATOM 1380 N ASN C 82 90.615 -24.325 91.779 1.00126.54 N ATOM 1381 CA ASN C 82 89.512 -23.734 91.023 1.00123.91 C ATOM 1382 C ASN C 82 89.096 -24.707 89.948 1.00118.08 C ATOM 1383 O ASN C 82 89.890 -25.581 89.580 1.00114.39 O ATOM 1384 CB ASN C 82 89.942 -22.415 90.366 1.00127.84 C ATOM 1385 CG ASN C 82 90.155 -21.261 91.311 1.00150.13 C ATOM 1386 OD1 ASN C 82 90.549 -21.426 92.483 1.00153.61 O ATOM 1387 ND2 ASN C 82 89.965 -20.054 90.791 1.00133.29 N ATOM 1388 HD22 ASN C 82 89.636 -19.957 89.809 1.00 0.00 H ATOM 1389 HD21 ASN C 82 90.146 -19.206 91.365 1.00 0.00 H ATOM 1390 H ASN C 82 91.525 -24.461 91.294 1.00 0.00 H ATOM 1391 N VAL C 83 87.856 -24.564 89.445 1.00110.85 N ATOM 1392 CA VAL C 83 87.392 -25.410 88.358 1.00106.34 C ATOM 1393 C VAL C 83 88.022 -24.810 87.096 1.00112.64 C ATOM 1394 O VAL C 83 87.979 -23.592 86.900 1.00116.32 O ATOM 1395 CB VAL C 83 85.860 -25.625 88.285 1.00107.41 C ATOM 1396 CG1 VAL C 83 85.496 -26.551 87.134 1.00103.92 C ATOM 1397 CG2 VAL C 83 85.324 -26.203 89.585 1.00106.62 C ATOM 1398 H VAL C 83 87.222 -23.840 89.839 1.00 0.00 H ATOM 1399 N ASP C 84 88.718 -25.654 86.333 1.00106.27 N ATOM 1400 CA ASP C 84 89.507 -25.323 85.169 1.00106.63 C ATOM 1401 C ASP C 84 88.862 -25.921 83.925 1.00113.28 C ATOM 1402 O ASP C 84 88.717 -27.143 83.819 1.00112.36 O ATOM 1403 CB ASP C 84 90.917 -25.866 85.375 1.00107.62 C ATOM 1404 CG ASP C 84 91.902 -25.281 84.412 1.00118.25 C ATOM 1405 OD1 ASP C 84 91.939 -25.737 83.263 1.00118.66 O ATOM 1406 OD2 ASP C 84 92.605 -24.331 84.792 1.00126.94 O ATOM 1407 H ASP C 84 88.690 -26.657 86.605 1.00 0.00 H ATOM 1408 N TYR C 85 88.499 -25.059 82.969 1.00111.05 N ATOM 1409 CA TYR C 85 87.787 -25.479 81.772 1.00108.46 C ATOM 1410 C TYR C 85 88.732 -25.742 80.558 1.00114.39 C ATOM 1411 O TYR C 85 88.281 -25.752 79.408 1.00113.43 O ATOM 1412 CB TYR C 85 86.641 -24.474 81.483 1.00109.83 C ATOM 1413 CG TYR C 85 85.566 -24.505 82.557 1.00110.38 C ATOM 1414 CD1 TYR C 85 84.500 -25.395 82.476 1.00110.17 C ATOM 1415 CD2 TYR C 85 85.668 -23.712 83.702 1.00113.28 C ATOM 1416 CE1 TYR C 85 83.544 -25.480 83.489 1.00111.40 C ATOM 1417 CE2 TYR C 85 84.715 -23.785 84.722 1.00114.31 C ATOM 1418 CZ TYR C 85 83.646 -24.665 84.605 1.00118.32 C ATOM 1419 OH TYR C 85 82.687 -24.771 85.588 1.00116.39 O ATOM 1420 HH TYR C 85 82.015 -25.447 85.320 1.00 0.00 H ATOM 1421 H TYR C 85 88.734 -24.053 83.086 1.00 0.00 H ATOM 1422 N HIS C 86 90.024 -26.047 80.835 1.00113.29 N ATOM 1423 CA HIS C 86 91.029 -26.421 79.818 1.00113.70 C ATOM 1424 C HIS C 86 91.153 -27.963 79.787 1.00112.62 C ATOM 1425 O HIS C 86 92.091 -28.519 79.200 1.00111.52 O ATOM 1426 CB HIS C 86 92.405 -25.821 80.159 1.00117.93 C ATOM 1427 CG HIS C 86 92.464 -24.325 80.201 1.00124.89 C ATOM 1428 ND1 HIS C 86 92.627 -23.646 81.395 1.00128.99 N ATOM 1429 CD2 HIS C 86 92.449 -23.428 79.185 1.00128.52 C ATOM 1430 CE1 HIS C 86 92.706 -22.365 81.070 1.00131.29 C ATOM 1431 NE2 HIS C 86 92.599 -22.184 79.751 1.00131.28 N ATOM 1432 H HIS C 86 90.328 -26.016 81.829 1.00 0.00 H ATOM 1433 N MET C 87 90.213 -28.631 80.484 1.00105.44 N ATOM 1434 CA MET C 87 90.092 -30.076 80.644 1.00101.43 C ATOM 1435 C MET C 87 88.724 -30.442 81.178 1.00 97.69 C ATOM 1436 O MET C 87 88.122 -29.677 81.925 1.00 96.89 O ATOM 1437 CB MET C 87 91.166 -30.612 81.573 1.00104.75 C ATOM 1438 CG MET C 87 91.309 -29.831 82.834 1.00111.49 C ATOM 1439 SD MET C 87 92.998 -29.280 82.892 1.00120.37 S ATOM 1440 CE MET C 87 93.115 -28.727 84.642 1.00118.93 C ATOM 1441 H MET C 87 89.493 -28.052 80.961 1.00 0.00 H ATOM 1442 N ASN C 88 88.239 -31.615 80.807 1.00 89.93 N ATOM 1443 CA ASN C 88 86.929 -32.040 81.241 1.00 87.60 C ATOM 1444 C ASN C 88 86.946 -33.276 82.108 1.00 89.92 C ATOM 1445 O ASN C 88 87.615 -34.251 81.771 1.00 88.66 O ATOM 1446 CB ASN C 88 86.032 -32.334 80.040 1.00 84.06 C ATOM 1447 CG ASN C 88 85.660 -31.200 79.120 1.00 99.49 C ATOM 1448 OD1 ASN C 88 85.115 -31.425 78.038 1.00 84.55 O ATOM 1449 ND2 ASN C 88 85.892 -29.970 79.514 1.00 97.12 N ATOM 1450 HD22 ASN C 88 86.353 -29.796 80.430 1.00 0.00 H ATOM 1451 HD21 ASN C 88 85.615 -29.170 78.910 1.00 0.00 H ATOM 1452 H ASN C 88 88.806 -32.237 80.197 1.00 0.00 H ATOM 1453 N SER C 89 86.145 -33.259 83.191 1.00 86.40 N ATOM 1454 CA SER C 89 85.873 -34.419 84.032 1.00 84.96 C ATOM 1455 C SER C 89 84.923 -35.272 83.170 1.00 86.31 C ATOM 1456 O SER C 89 83.946 -34.736 82.653 1.00 86.51 O ATOM 1457 CB SER C 89 85.153 -34.017 85.317 1.00 89.59 C ATOM 1458 OG SER C 89 85.896 -33.111 86.110 1.00102.94 O ATOM 1459 HG SER C 89 86.069 -32.285 85.592 1.00 0.00 H ATOM 1460 H SER C 89 85.690 -32.359 83.444 1.00 0.00 H ATOM 1461 N VAL C 90 85.256 -36.555 82.939 1.00 80.98 N ATOM 1462 CA VAL C 90 84.474 -37.468 82.098 1.00 79.40 C ATOM 1463 C VAL C 90 84.176 -38.785 82.830 1.00 85.91 C ATOM 1464 O VAL C 90 85.091 -39.329 83.452 1.00 85.38 O ATOM 1465 CB VAL C 90 85.131 -37.726 80.709 1.00 81.57 C ATOM 1466 CG1 VAL C 90 85.698 -36.457 80.115 1.00 82.63 C ATOM 1467 CG2 VAL C 90 86.211 -38.781 80.772 1.00 80.70 C ATOM 1468 H VAL C 90 86.121 -36.922 83.384 1.00 0.00 H ATOM 1469 N PRO C 91 82.958 -39.368 82.715 1.00 84.25 N ATOM 1470 CA PRO C 91 82.709 -40.668 83.364 1.00 84.58 C ATOM 1471 C PRO C 91 83.504 -41.838 82.761 1.00 92.87 C ATOM 1472 O PRO C 91 83.976 -41.767 81.614 1.00 93.02 O ATOM 1473 CB PRO C 91 81.213 -40.876 83.154 1.00 85.92 C ATOM 1474 CG PRO C 91 80.919 -40.133 81.899 1.00 90.33 C ATOM 1475 CD PRO C 91 81.756 -38.895 82.007 1.00 86.35 C ATOM 1476 N ILE C 92 83.620 -42.933 83.543 1.00 91.12 N ATOM 1477 CA ILE C 92 84.297 -44.169 83.168 1.00 91.05 C ATOM 1478 C ILE C 92 83.335 -45.357 83.232 1.00 95.50 C ATOM 1479 O ILE C 92 83.052 -45.873 84.307 1.00 93.95 O ATOM 1480 CB ILE C 92 85.608 -44.431 83.956 1.00 94.46 C ATOM 1481 CG1 ILE C 92 86.529 -43.202 83.971 1.00 96.69 C ATOM 1482 CG2 ILE C 92 86.350 -45.640 83.387 1.00 94.53 C ATOM 1483 CD1 ILE C 92 87.198 -42.963 85.353 1.00108.26 C ATOM 1484 H ILE C 92 83.192 -42.891 84.490 1.00 0.00 H ATOM 1485 N GLN C 93 82.883 -45.810 82.059 1.00 94.54 N ATOM 1486 CA GLN C 93 82.006 -46.968 81.894 1.00 94.86 C ATOM 1487 C GLN C 93 82.784 -48.306 82.047 1.00100.38 C ATOM 1488 O GLN C 93 84.019 -48.329 81.992 1.00 99.14 O ATOM 1489 CB GLN C 93 81.268 -46.895 80.549 1.00 96.27 C ATOM 1490 CG GLN C 93 80.831 -45.471 80.199 1.00115.19 C ATOM 1491 CD GLN C 93 79.343 -45.249 80.199 1.00135.16 C ATOM 1492 OE1 GLN C 93 78.759 -44.934 79.163 1.00135.00 O ATOM 1493 NE2 GLN C 93 78.703 -45.337 81.359 1.00125.25 N ATOM 1494 HE22 GLN C 93 79.221 -45.605 82.220 1.00 0.00 H ATOM 1495 HE21 GLN C 93 77.683 -45.137 81.407 1.00 0.00 H ATOM 1496 H GLN C 93 83.177 -45.302 81.201 1.00 0.00 H ATOM 1497 N GLN C 94 82.037 -49.402 82.296 1.00 98.82 N ATOM 1498 CA GLN C 94 82.521 -50.782 82.479 1.00 98.95 C ATOM 1499 C GLN C 94 81.321 -51.727 82.294 1.00101.81 C ATOM 1500 O GLN C 94 80.260 -51.482 82.894 1.00100.79 O ATOM 1501 CB GLN C 94 83.161 -50.951 83.887 1.00 99.99 C ATOM 1502 CG GLN C 94 83.272 -52.387 84.445 1.00114.97 C ATOM 1503 CD GLN C 94 84.365 -53.236 83.844 1.00140.32 C ATOM 1504 OE1 GLN C 94 85.526 -52.827 83.726 1.00138.70 O ATOM 1505 NE2 GLN C 94 84.042 -54.481 83.543 1.00134.98 N ATOM 1506 HE22 GLN C 94 83.059 -54.804 83.650 1.00 0.00 H ATOM 1507 HE21 GLN C 94 84.771 -55.139 83.199 1.00 0.00 H ATOM 1508 H GLN C 94 81.010 -49.257 82.366 1.00 0.00 H ATOM 1509 N GLU C 95 81.474 -52.786 81.464 1.00 97.35 N ATOM 1510 CA GLU C 95 80.363 -53.724 81.286 1.00 97.22 C ATOM 1511 C GLU C 95 80.382 -54.726 82.456 1.00 97.39 C ATOM 1512 O GLU C 95 81.461 -55.210 82.823 1.00 97.92 O ATOM 1513 CB GLU C 95 80.371 -54.394 79.893 1.00100.10 C ATOM 1514 CG GLU C 95 79.010 -54.335 79.193 1.00120.67 C ATOM 1515 CD GLU C 95 78.926 -54.023 77.697 1.00161.32 C ATOM 1516 OE1 GLU C 95 77.853 -53.551 77.244 1.00144.62 O ATOM 1517 OE2 GLU C 95 79.914 -54.283 76.970 1.00170.88 O ATOM 1518 H GLU C 95 82.371 -52.932 80.958 1.00 0.00 H ATOM 1519 N ILE C 96 79.220 -54.942 83.118 1.00 88.40 N ATOM 1520 CA ILE C 96 79.105 -55.856 84.276 1.00 85.22 C ATOM 1521 C ILE C 96 77.975 -56.894 84.083 1.00 89.97 C ATOM 1522 O ILE C 96 76.933 -56.575 83.510 1.00 91.69 O ATOM 1523 CB ILE C 96 78.998 -55.115 85.645 1.00 84.91 C ATOM 1524 CG1 ILE C 96 77.707 -54.314 85.764 1.00 83.74 C ATOM 1525 CG2 ILE C 96 80.194 -54.214 85.853 1.00 83.83 C ATOM 1526 CD1 ILE C 96 77.167 -54.084 87.133 1.00 81.45 C ATOM 1527 H ILE C 96 78.367 -54.441 82.797 1.00 0.00 H ATOM 1528 N LEU C 97 78.192 -58.130 84.537 1.00 84.35 N ATOM 1529 CA LEU C 97 77.177 -59.162 84.448 1.00 84.34 C ATOM 1530 C LEU C 97 76.155 -58.913 85.547 1.00 86.50 C ATOM 1531 O LEU C 97 76.530 -58.493 86.641 1.00 87.07 O ATOM 1532 CB LEU C 97 77.810 -60.539 84.678 1.00 85.16 C ATOM 1533 CG LEU C 97 78.351 -61.275 83.463 1.00 92.05 C ATOM 1534 CD1 LEU C 97 79.124 -62.552 83.893 1.00 92.88 C ATOM 1535 CD2 LEU C 97 77.243 -61.610 82.470 1.00 96.76 C ATOM 1536 H LEU C 97 79.112 -58.359 84.965 1.00 0.00 H ATOM 1537 N VAL C 98 74.884 -59.195 85.279 1.00 81.37 N ATOM 1538 CA VAL C 98 73.805 -59.088 86.260 1.00 81.12 C ATOM 1539 C VAL C 98 72.775 -60.175 86.005 1.00 87.38 C ATOM 1540 O VAL C 98 72.627 -60.637 84.873 1.00 88.17 O ATOM 1541 CB VAL C 98 73.122 -57.689 86.362 1.00 83.77 C ATOM 1542 CG1 VAL C 98 73.963 -56.700 87.149 1.00 81.40 C ATOM 1543 CG2 VAL C 98 72.734 -57.128 84.997 1.00 83.65 C ATOM 1544 H VAL C 98 74.643 -59.509 84.317 1.00 0.00 H ATOM 1545 N LEU C 99 72.046 -60.535 87.049 1.00 84.82 N ATOM 1546 CA LEU C 99 70.941 -61.470 87.011 1.00 88.27 C ATOM 1547 C LEU C 99 69.685 -60.637 87.099 1.00 95.77 C ATOM 1548 O LEU C 99 69.711 -59.609 87.780 1.00 96.21 O ATOM 1549 CB LEU C 99 70.976 -62.355 88.261 1.00 89.40 C ATOM 1550 CG LEU C 99 71.512 -63.756 88.112 1.00 95.17 C ATOM 1551 CD1 LEU C 99 73.043 -63.765 88.045 1.00 93.45 C ATOM 1552 CD2 LEU C 99 71.022 -64.605 89.242 1.00 96.88 C ATOM 1553 H LEU C 99 72.285 -60.113 87.969 1.00 0.00 H ATOM 1554 N ARG C 100 68.580 -61.079 86.446 1.00 93.94 N ATOM 1555 CA ARG C 100 67.242 -60.456 86.499 1.00 94.72 C ATOM 1556 C ARG C 100 66.216 -61.580 86.761 1.00103.33 C ATOM 1557 O ARG C 100 66.571 -62.753 86.661 1.00103.45 O ATOM 1558 CB ARG C 100 66.921 -59.660 85.214 1.00 91.63 C ATOM 1559 CG ARG C 100 67.896 -58.504 84.919 1.00 91.79 C ATOM 1560 CD ARG C 100 67.293 -57.248 84.319 1.00 91.12 C ATOM 1561 NE ARG C 100 66.593 -56.438 85.323 1.00114.43 N ATOM 1562 CZ ARG C 100 65.287 -56.520 85.593 1.00142.26 C ATOM 1563 NH1 ARG C 100 64.513 -57.374 84.932 1.00138.37 N ATOM 1564 NH2 ARG C 100 64.747 -55.745 86.523 1.00130.03 N ATOM 1565 HE ARG C 100 67.155 -55.750 85.864 1.00 0.00 H ATOM 1566 HH12 ARG C 100 63.498 -57.431 85.149 1.00 0.00 H ATOM 1567 HH11 ARG C 100 64.923 -57.986 84.197 1.00 0.00 H ATOM 1568 HH22 ARG C 100 63.730 -55.812 86.730 1.00 0.00 H ATOM 1569 HH21 ARG C 100 65.340 -55.070 87.046 1.00 0.00 H ATOM 1570 H ARG C 100 68.685 -61.930 85.857 1.00 0.00 H ATOM 1571 N ARG C 101 64.972 -61.243 87.133 1.00104.19 N ATOM 1572 CA ARG C 101 63.931 -62.233 87.451 1.00108.01 C ATOM 1573 C ARG C 101 62.502 -61.816 87.032 1.00119.69 C ATOM 1574 O ARG C 101 62.194 -60.623 87.054 1.00119.43 O ATOM 1575 CB ARG C 101 63.968 -62.575 88.952 1.00106.34 C ATOM 1576 CG ARG C 101 63.753 -61.374 89.905 1.00110.14 C ATOM 1577 CD ARG C 101 63.136 -61.810 91.223 1.00122.02 C ATOM 1578 NE ARG C 101 64.001 -61.561 92.379 1.00131.02 N ATOM 1579 CZ ARG C 101 63.641 -60.850 93.447 1.00145.19 C ATOM 1580 NH1 ARG C 101 62.432 -60.305 93.516 1.00131.12 N ATOM 1581 NH2 ARG C 101 64.489 -60.674 94.451 1.00131.21 N ATOM 1582 HE ARG C 101 64.959 -61.966 92.365 1.00 0.00 H ATOM 1583 HH12 ARG C 101 62.158 -59.751 94.353 1.00 0.00 H ATOM 1584 HH11 ARG C 101 61.759 -60.432 92.733 1.00 0.00 H ATOM 1585 HH22 ARG C 101 64.203 -60.118 95.282 1.00 0.00 H ATOM 1586 HH21 ARG C 101 65.440 -61.092 94.407 1.00 0.00 H ATOM 1587 H ARG C 101 64.732 -60.233 87.200 1.00 0.00 H ATOM 1588 N GLU C 102 61.625 -62.800 86.681 1.00123.16 N ATOM 1589 CA GLU C 102 60.214 -62.567 86.289 1.00128.47 C ATOM 1590 C GLU C 102 59.276 -62.982 87.461 1.00138.40 C ATOM 1591 O GLU C 102 59.373 -64.148 87.866 1.00138.75 O ATOM 1592 CB GLU C 102 59.859 -63.293 84.974 1.00132.23 C ATOM 1593 CG GLU C 102 60.439 -62.643 83.720 1.00144.73 C ATOM 1594 CD GLU C 102 61.912 -62.896 83.416 1.00173.23 C ATOM 1595 OE1 GLU C 102 62.216 -63.890 82.715 1.00172.54 O ATOM 1596 OE2 GLU C 102 62.759 -62.071 83.831 1.00166.14 O ATOM 1597 H GLU C 102 61.970 -63.781 86.689 1.00 0.00 H ATOM 1598 N PRO C 103 58.444 -62.092 88.107 1.00137.85 N ATOM 1599 CA PRO C 103 58.092 -60.668 87.848 1.00140.53 C ATOM 1600 C PRO C 103 59.174 -59.743 87.287 1.00158.71 C ATOM 1601 O PRO C 103 58.875 -58.840 86.503 1.00110.60 O ATOM 1602 CB PRO C 103 57.630 -60.163 89.233 1.00142.54 C ATOM 1603 CG PRO C 103 57.672 -61.376 90.172 1.00147.32 C ATOM 1604 CD PRO C 103 57.659 -62.566 89.255 1.00143.28 C TER 1605 PRO C 103 ATOM 1606 N PRO C 107 58.593 -65.650 90.060 1.00136.15 N ATOM 1607 CA PRO C 107 59.953 -66.003 90.519 1.00132.25 C ATOM 1608 C PRO C 107 60.574 -67.207 89.784 1.00133.67 C ATOM 1609 O PRO C 107 61.680 -67.628 90.134 1.00130.08 O ATOM 1610 CB PRO C 107 59.764 -66.274 92.022 1.00135.44 C ATOM 1611 CG PRO C 107 58.263 -66.083 92.310 1.00144.44 C ATOM 1612 CD PRO C 107 57.546 -66.068 91.011 1.00141.51 C ATOM 1613 HN2 PRO C 107 58.418 -66.115 89.146 1.00 0.00 H ATOM 1614 HN1 PRO C 107 58.540 -64.619 89.938 1.00 0.00 H ATOM 1615 N ASN C 108 59.868 -67.746 88.754 1.00131.94 N ATOM 1616 CA ASN C 108 60.226 -68.945 87.974 1.00131.87 C ATOM 1617 C ASN C 108 61.212 -68.728 86.790 1.00131.02 C ATOM 1618 O ASN C 108 61.538 -69.702 86.106 1.00131.98 O ATOM 1619 CB ASN C 108 58.953 -69.682 87.475 1.00137.18 C ATOM 1620 CG ASN C 108 57.984 -68.913 86.571 1.00154.94 C ATOM 1621 OD1 ASN C 108 58.373 -68.194 85.635 1.00145.00 O ATOM 1622 ND2 ASN C 108 56.679 -69.139 86.768 1.00146.25 N ATOM 1623 HD22 ASN C 108 56.369 -69.743 87.556 1.00 0.00 H ATOM 1624 HD21 ASN C 108 55.975 -68.710 86.133 1.00 0.00 H ATOM 1625 H ASN C 108 58.986 -67.263 88.490 1.00 0.00 H ATOM 1626 N SER C 109 61.692 -67.493 86.546 1.00121.90 N ATOM 1627 CA SER C 109 62.638 -67.269 85.450 1.00117.68 C ATOM 1628 C SER C 109 63.725 -66.257 85.783 1.00115.36 C ATOM 1629 O SER C 109 63.466 -65.283 86.486 1.00114.53 O ATOM 1630 CB SER C 109 61.910 -66.883 84.172 1.00121.19 C ATOM 1631 OG SER C 109 62.856 -66.683 83.136 1.00125.52 O ATOM 1632 HG SER C 109 63.479 -65.958 83.395 1.00 0.00 H ATOM 1633 H SER C 109 61.389 -66.694 87.139 1.00 0.00 H ATOM 1634 N PHE C 110 64.952 -66.505 85.291 1.00107.62 N ATOM 1635 CA PHE C 110 66.125 -65.652 85.528 1.00102.75 C ATOM 1636 C PHE C 110 66.902 -65.406 84.272 1.00104.05 C ATOM 1637 O PHE C 110 66.893 -66.236 83.365 1.00104.69 O ATOM 1638 CB PHE C 110 67.060 -66.247 86.577 1.00103.02 C ATOM 1639 CG PHE C 110 66.337 -66.716 87.804 1.00106.58 C ATOM 1640 CD1 PHE C 110 66.098 -65.848 88.860 1.00108.41 C ATOM 1641 CD2 PHE C 110 65.852 -68.021 87.890 1.00112.20 C ATOM 1642 CE1 PHE C 110 65.428 -66.287 89.992 1.00111.40 C ATOM 1643 CE2 PHE C 110 65.156 -68.452 89.015 1.00116.56 C ATOM 1644 CZ PHE C 110 64.964 -67.588 90.065 1.00113.60 C ATOM 1645 H PHE C 110 65.079 -67.355 84.705 1.00 0.00 H ATOM 1646 N ARG C 111 67.625 -64.291 84.229 1.00 97.67 N ATOM 1647 CA ARG C 111 68.361 -63.942 83.026 1.00 96.61 C ATOM 1648 C ARG C 111 69.690 -63.267 83.327 1.00 98.46 C ATOM 1649 O ARG C 111 69.717 -62.227 83.992 1.00 96.55 O ATOM 1650 CB ARG C 111 67.464 -63.071 82.090 1.00 95.73 C ATOM 1651 CG ARG C 111 68.120 -62.616 80.792 1.00 99.86 C ATOM 1652 CD ARG C 111 67.251 -61.635 80.054 1.00118.07 C ATOM 1653 NE ARG C 111 67.692 -60.259 80.276 1.00131.29 N ATOM 1654 CZ ARG C 111 68.008 -59.401 79.309 1.00144.11 C ATOM 1655 NH1 ARG C 111 67.934 -59.769 78.031 1.00124.85 N ATOM 1656 NH2 ARG C 111 68.402 -58.168 79.611 1.00128.39 N ATOM 1657 HE ARG C 111 67.764 -59.927 81.259 1.00 0.00 H ATOM 1658 HH12 ARG C 111 68.182 -59.094 77.280 1.00 0.00 H ATOM 1659 HH11 ARG C 111 67.628 -60.732 77.784 1.00 0.00 H ATOM 1660 HH22 ARG C 111 68.648 -57.500 78.853 1.00 0.00 H ATOM 1661 HH21 ARG C 111 68.464 -57.871 80.606 1.00 0.00 H ATOM 1662 H ARG C 111 67.664 -63.666 85.060 1.00 0.00 H ATOM 1663 N LEU C 112 70.782 -63.838 82.797 1.00 95.66 N ATOM 1664 CA LEU C 112 72.116 -63.264 82.901 1.00 94.30 C ATOM 1665 C LEU C 112 72.286 -62.285 81.752 1.00 96.77 C ATOM 1666 O LEU C 112 72.092 -62.657 80.587 1.00 97.90 O ATOM 1667 CB LEU C 112 73.188 -64.348 82.829 1.00 95.56 C ATOM 1668 CG LEU C 112 73.797 -64.796 84.138 1.00100.74 C ATOM 1669 CD1 LEU C 112 74.662 -65.994 83.893 1.00102.57 C ATOM 1670 CD2 LEU C 112 74.649 -63.696 84.760 1.00102.44 C ATOM 1671 H LEU C 112 70.670 -64.737 82.286 1.00 0.00 H ATOM 1672 N GLU C 113 72.586 -61.025 82.079 1.00 91.06 N ATOM 1673 CA GLU C 113 72.714 -59.952 81.084 1.00 89.78 C ATOM 1674 C GLU C 113 73.874 -59.029 81.405 1.00 91.68 C ATOM 1675 O GLU C 113 74.225 -58.859 82.566 1.00 91.62 O ATOM 1676 CB GLU C 113 71.405 -59.143 80.979 1.00 91.50 C ATOM 1677 H GLU C 113 72.735 -60.794 83.082 1.00 0.00 H ATOM 1678 N LYS C 114 74.465 -58.445 80.388 1.00 86.79 N ATOM 1679 CA LYS C 114 75.563 -57.522 80.562 1.00 85.31 C ATOM 1680 C LYS C 114 75.026 -56.073 80.561 1.00 90.39 C ATOM 1681 O LYS C 114 74.278 -55.704 79.662 1.00 91.31 O ATOM 1682 CB LYS C 114 76.585 -57.730 79.436 1.00 88.76 C ATOM 1683 CG LYS C 114 77.541 -58.887 79.677 1.00112.90 C ATOM 1684 CD LYS C 114 78.521 -59.069 78.516 1.00125.66 C ATOM 1685 CE LYS C 114 79.900 -59.473 78.989 1.00138.33 C ATOM 1686 NZ LYS C 114 80.337 -60.741 78.362 1.00145.82 N ATOM 1687 HZ1 LYS C 114 79.668 -61.498 78.610 1.00 0.00 H ATOM 1688 HZ2 LYS C 114 80.363 -60.625 77.329 1.00 0.00 H ATOM 1689 HZ3 LYS C 114 81.286 -60.989 78.708 1.00 0.00 H ATOM 1690 H LYS C 114 74.132 -58.654 79.425 1.00 0.00 H ATOM 1691 N ILE C 115 75.383 -55.261 81.565 1.00 87.16 N ATOM 1692 CA ILE C 115 74.949 -53.858 81.606 1.00 87.53 C ATOM 1693 C ILE C 115 76.169 -52.931 81.695 1.00 90.19 C ATOM 1694 O ILE C 115 77.230 -53.380 82.133 1.00 89.65 O ATOM 1695 CB ILE C 115 73.831 -53.545 82.675 1.00 91.54 C ATOM 1696 CG1 ILE C 115 73.097 -52.193 82.380 1.00 93.12 C ATOM 1697 CG2 ILE C 115 74.311 -53.614 84.168 1.00 88.85 C ATOM 1698 CD1 ILE C 115 72.767 -51.788 80.810 1.00101.76 C ATOM 1699 H ILE C 115 75.980 -55.632 82.332 1.00 0.00 H ATOM 1700 N LEU C 116 76.029 -51.668 81.243 1.00 85.08 N ATOM 1701 CA LEU C 116 77.107 -50.693 81.282 1.00 83.76 C ATOM 1702 C LEU C 116 76.893 -49.699 82.418 1.00 89.33 C ATOM 1703 O LEU C 116 75.898 -48.970 82.462 1.00 90.44 O ATOM 1704 CB LEU C 116 77.258 -49.988 79.938 1.00 84.02 C ATOM 1705 CG LEU C 116 78.639 -49.485 79.587 1.00 87.59 C ATOM 1706 CD1 LEU C 116 79.540 -50.627 79.252 1.00 88.26 C ATOM 1707 CD2 LEU C 116 78.581 -48.549 78.397 1.00 88.77 C ATOM 1708 H LEU C 116 75.111 -51.379 80.850 1.00 0.00 H ATOM 1709 N VAL C 117 77.834 -49.702 83.359 1.00 86.14 N ATOM 1710 CA VAL C 117 77.817 -48.852 84.552 1.00 85.51 C ATOM 1711 C VAL C 117 79.056 -47.922 84.619 1.00 87.78 C ATOM 1712 O VAL C 117 80.164 -48.319 84.226 1.00 86.91 O ATOM 1713 CB VAL C 117 77.606 -49.674 85.857 1.00 88.57 C ATOM 1714 CG1 VAL C 117 76.362 -50.550 85.747 1.00 89.26 C ATOM 1715 CG2 VAL C 117 78.828 -50.518 86.206 1.00 87.25 C ATOM 1716 H VAL C 117 78.637 -50.352 83.239 1.00 0.00 H ATOM 1717 N SER C 118 78.834 -46.692 85.116 1.00 82.37 N ATOM 1718 CA SER C 118 79.840 -45.656 85.261 1.00 81.12 C ATOM 1719 C SER C 118 80.419 -45.622 86.663 1.00 80.67 C ATOM 1720 O SER C 118 79.825 -45.026 87.561 1.00 79.14 O ATOM 1721 CB SER C 118 79.275 -44.295 84.867 1.00 86.75 C ATOM 1722 OG SER C 118 78.261 -43.886 85.767 1.00 96.24 O ATOM 1723 HG SER C 118 78.638 -43.821 86.680 1.00 0.00 H ATOM 1724 H SER C 118 77.866 -46.466 85.420 1.00 0.00 H ATOM 1725 N VAL C 119 81.636 -46.216 86.799 1.00 76.68 N ATOM 1726 CA VAL C 119 82.480 -46.433 87.991 1.00 76.85 C ATOM 1727 C VAL C 119 83.041 -45.148 88.608 1.00 82.74 C ATOM 1728 O VAL C 119 83.213 -45.056 89.830 1.00 79.79 O ATOM 1729 CB VAL C 119 83.640 -47.381 87.659 1.00 81.36 C ATOM 1730 CG1 VAL C 119 84.236 -47.981 88.916 1.00 82.49 C ATOM 1731 CG2 VAL C 119 83.218 -48.478 86.699 1.00 81.18 C ATOM 1732 H VAL C 119 82.040 -46.579 85.912 1.00 0.00 H ATOM 1733 N GLY C 120 83.357 -44.177 87.764 1.00 84.27 N ATOM 1734 CA GLY C 120 83.923 -42.926 88.261 1.00 87.04 C ATOM 1735 C GLY C 120 84.277 -41.937 87.180 1.00 93.47 C ATOM 1736 O GLY C 120 83.937 -42.150 86.016 1.00 92.29 O ATOM 1737 H GLY C 120 83.201 -44.306 86.744 1.00 0.00 H ATOM 1738 N CYS C 121 84.956 -40.854 87.568 1.00 92.32 N ATOM 1739 CA CYS C 121 85.366 -39.829 86.628 1.00 93.81 C ATOM 1740 C CYS C 121 86.882 -39.649 86.589 1.00 98.62 C ATOM 1741 O CYS C 121 87.561 -39.781 87.602 1.00101.07 O ATOM 1742 CB CYS C 121 84.647 -38.505 86.892 1.00 96.04 C ATOM 1743 SG CYS C 121 82.834 -38.592 86.818 1.00100.10 S ATOM 1744 H CYS C 121 85.198 -40.743 88.573 1.00 0.00 H ATOM 1745 N THR C 122 87.391 -39.340 85.408 1.00 93.69 N ATOM 1746 CA THR C 122 88.782 -39.012 85.110 1.00 93.90 C ATOM 1747 C THR C 122 88.765 -37.657 84.391 1.00 95.99 C ATOM 1748 O THR C 122 87.717 -37.220 83.951 1.00 93.24 O ATOM 1749 CB THR C 122 89.493 -40.142 84.331 1.00102.85 C ATOM 1750 OG1 THR C 122 90.909 -39.915 84.344 1.00107.53 O ATOM 1751 CG2 THR C 122 88.981 -40.294 82.896 1.00 97.14 C ATOM 1752 HG1 THR C 122 91.363 -40.640 83.845 1.00 0.00 H ATOM 1753 H THR C 122 86.729 -39.330 84.606 1.00 0.00 H ATOM 1754 N CYS C 123 89.899 -36.994 84.304 1.00 95.77 N ATOM 1755 CA CYS C 123 89.995 -35.687 83.680 1.00 97.87 C ATOM 1756 C CYS C 123 90.740 -35.803 82.358 1.00100.93 C ATOM 1757 O CYS C 123 91.913 -36.200 82.338 1.00101.02 O ATOM 1758 CB CYS C 123 90.672 -34.706 84.629 1.00101.18 C ATOM 1759 SG CYS C 123 90.511 -32.974 84.142 1.00107.78 S ATOM 1760 H CYS C 123 90.760 -37.424 84.698 1.00 0.00 H ATOM 1761 N VAL C 124 90.043 -35.506 81.251 1.00 96.05 N ATOM 1762 CA VAL C 124 90.656 -35.612 79.940 1.00 97.07 C ATOM 1763 C VAL C 124 91.229 -34.263 79.501 1.00105.89 C ATOM 1764 O VAL C 124 90.711 -33.220 79.910 1.00104.91 O ATOM 1765 CB VAL C 124 89.747 -36.278 78.871 1.00 99.07 C ATOM 1766 CG1 VAL C 124 89.159 -37.577 79.389 1.00 96.80 C ATOM 1767 CG2 VAL C 124 88.651 -35.348 78.368 1.00 98.70 C ATOM 1768 H VAL C 124 89.053 -35.197 81.333 1.00 0.00 H ATOM 1769 N THR C 125 92.317 -34.289 78.698 1.00106.98 N ATOM 1770 CA THR C 125 92.971 -33.070 78.199 1.00110.52 C ATOM 1771 C THR C 125 93.209 -33.115 76.705 1.00115.67 C ATOM 1772 O THR C 125 93.564 -34.169 76.176 1.00114.48 O ATOM 1773 CB THR C 125 94.328 -32.814 78.884 1.00125.74 C ATOM 1774 OG1 THR C 125 95.136 -33.983 78.774 1.00128.97 O ATOM 1775 CG2 THR C 125 94.194 -32.385 80.328 1.00124.99 C ATOM 1776 HG1 THR C 125 95.280 -34.194 77.818 1.00 0.00 H ATOM 1777 H THR C 125 92.708 -35.212 78.421 1.00 0.00 H ATOM 1778 N PRO C 126 93.106 -31.966 76.012 1.00114.98 N ATOM 1779 CA PRO C 126 93.402 -31.958 74.572 1.00116.35 C ATOM 1780 C PRO C 126 94.900 -32.169 74.312 1.00125.42 C ATOM 1781 O PRO C 126 95.270 -33.001 73.480 1.00126.96 O ATOM 1782 CB PRO C 126 92.929 -30.569 74.113 1.00118.81 C ATOM 1783 CG PRO C 126 92.139 -30.010 75.240 1.00122.36 C ATOM 1784 CD PRO C 126 92.714 -30.624 76.478 1.00117.65 C ATOM 1785 N ILE C 127 95.754 -31.455 75.060 1.00124.00 N ATOM 1786 CA ILE C 127 97.209 -31.530 74.952 1.00126.60 C ATOM 1787 C ILE C 127 97.732 -32.849 75.553 1.00129.60 C ATOM 1788 O ILE C 127 97.222 -33.293 76.582 1.00127.70 O ATOM 1789 CB ILE C 127 97.841 -30.253 75.590 1.00132.78 C ATOM 1790 CG1 ILE C 127 97.557 -28.989 74.724 1.00133.75 C ATOM 1791 CG2 ILE C 127 99.351 -30.414 75.850 1.00137.85 C ATOM 1792 CD1 ILE C 127 97.397 -27.640 75.515 1.00138.07 C ATOM 1793 H ILE C 127 95.353 -30.804 75.765 1.00 0.00 H ATOM 1794 N VAL C 128 98.731 -33.477 74.885 1.00127.42 N ATOM 1795 CA VAL C 128 99.374 -34.732 75.303 1.00148.51 C ATOM 1796 C VAL C 128 100.913 -34.588 75.203 1.00151.70 C ATOM 1797 O VAL C 128 101.654 -35.111 76.039 1.00109.85 O ATOM 1798 CB VAL C 128 98.837 -35.954 74.495 1.00150.57 C ATOM 1799 CG1 VAL C 128 99.507 -37.255 74.927 1.00150.98 C ATOM 1800 CG2 VAL C 128 97.322 -36.082 74.617 1.00146.95 C ATOM 1801 H VAL C 128 99.070 -33.036 74.006 1.00 0.00 H TER 1802 VAL C 128 HETATM 1803 O HOH 1 90.533 -63.426 88.681 1.00 49.30 O HETATM 1804 O HOH 2 69.905 -51.516 84.899 1.00 49.30 O HETATM 1805 N ILE A 3 74.904 -81.507 87.190 1.00 0.24 N HETATM 1806 CA ILE A 3 75.482 -80.167 87.285 1.00 0.07 C HETATM 1807 C ILE A 3 75.347 -79.597 88.709 1.00 0.23 C HETATM 1808 O ILE A 3 74.370 -79.884 89.407 1.00 -0.39 O HETATM 1809 N ILE A 3 76.377 -78.833 89.137 1.00 -0.26 N HETATM 1810 CA ILE A 3 76.479 -78.165 90.443 1.00 0.14 C HETATM 1811 C ILE A 3 76.745 -76.671 90.238 1.00 0.21 C HETATM 1812 O ILE A 3 77.640 -76.309 89.465 1.00 -0.39 O HETATM 1813 N ILE A 3 75.987 -75.810 90.946 1.00 -0.26 N HETATM 1814 CA ILE A 3 76.114 -74.346 90.862 1.00 0.13 C HETATM 1815 C ILE A 3 76.360 -73.750 92.259 1.00 0.20 C HETATM 1816 O ILE A 3 75.654 -74.112 93.194 1.00 -0.39 O HETATM 1817 N ILE A 3 77.387 -72.873 92.404 1.00 -0.26 N HETATM 1818 CA ILE A 3 77.709 -72.248 93.691 1.00 0.16 C HETATM 1819 C ILE A 3 77.460 -70.757 93.622 1.00 0.21 C HETATM 1820 O ILE A 3 78.169 -70.006 92.942 1.00 -0.39 O HETATM 1821 N ILE A 3 76.413 -70.342 94.324 1.00 -0.26 N HETATM 1822 CA ILE A 3 75.956 -68.954 94.380 1.00 0.13 C HETATM 1823 C ILE A 3 76.434 -68.310 95.671 1.00 0.21 C HETATM 1824 O ILE A 3 76.535 -69.019 96.673 1.00 -0.39 O HETATM 1825 N ILE A 3 76.763 -66.999 95.691 1.00 -0.25 N HETATM 1826 CA ILE A 3 77.184 -66.387 96.965 1.00 0.13 C HETATM 1827 C ILE A 3 76.017 -66.305 97.942 1.00 0.20 C HETATM 1828 O ILE A 3 74.859 -66.339 97.506 1.00 -0.39 O HETATM 1829 N ILE A 3 76.317 -66.202 99.258 1.00 -0.26 N HETATM 1830 CA ILE A 3 75.325 -66.071 100.347 1.00 0.13 C HETATM 1831 C ILE A 3 74.346 -64.911 100.049 1.00 0.20 C HETATM 1832 O ILE A 3 73.136 -65.041 100.255 1.00 -0.39 O HETATM 1833 N ILE A 3 74.897 -63.817 99.489 1.00 -0.26 N HETATM 1834 CA ILE A 3 74.237 -62.607 99.035 1.00 0.14 C HETATM 1835 C ILE A 3 73.089 -62.926 98.049 1.00 0.21 C HETATM 1836 O ILE A 3 71.954 -62.586 98.337 1.00 -0.39 O HETATM 1837 N ILE A 3 73.381 -63.621 96.920 1.00 -0.26 N HETATM 1838 CA ILE A 3 72.407 -64.001 95.877 1.00 0.13 C HETATM 1839 C ILE A 3 71.302 -64.914 96.380 1.00 0.20 C HETATM 1840 O ILE A 3 70.198 -64.874 95.839 1.00 -0.39 O HETATM 1841 N ILE A 3 71.580 -65.726 97.406 1.00 -0.26 N HETATM 1842 CA ILE A 3 70.542 -66.581 97.954 1.00 0.14 C HETATM 1843 C ILE A 3 69.390 -65.715 98.471 1.00 0.21 C HETATM 1844 O ILE A 3 68.245 -65.987 98.099 1.00 -0.39 O HETATM 1845 N ILE A 3 69.702 -64.606 99.214 1.00 -0.26 N HETATM 1846 CA ILE A 3 68.718 -63.624 99.700 1.00 0.14 C HETATM 1847 C ILE A 3 67.812 -63.171 98.537 1.00 0.21 C HETATM 1848 O ILE A 3 66.583 -63.169 98.655 1.00 -0.39 O HETATM 1849 N ILE A 3 68.440 -62.810 97.410 1.00 -0.26 N HETATM 1850 CA ILE A 3 67.760 -62.316 96.233 1.00 0.14 C HETATM 1851 C ILE A 3 66.852 -63.366 95.574 1.00 0.21 C HETATM 1852 O ILE A 3 65.701 -63.042 95.296 1.00 -0.39 O HETATM 1853 N ILE A 3 67.345 -64.610 95.334 1.00 -0.26 N HETATM 1854 CA ILE A 3 66.552 -65.685 94.702 1.00 0.13 C HETATM 1855 C ILE A 3 65.292 -66.008 95.533 1.00 0.20 C HETATM 1856 O ILE A 3 64.242 -66.357 94.972 1.00 -0.39 O HETATM 1857 N ILE A 3 65.398 -65.821 96.869 1.00 -0.27 N HETATM 1858 CA ILE A 3 64.329 -66.066 97.837 1.00 0.11 C HETATM 1859 C ILE A 3 63.848 -64.760 98.496 1.00 0.06 C HETATM 1860 O ILE A 3 62.959 -64.074 97.977 1.00 -0.57 O HETATM 1861 OXT ILE A 3 64.339 -64.365 99.561 1.00 -0.57 O HETATM 1862 CB ILE A 3 64.812 -67.068 98.890 1.00 0.07 C HETATM 1863 CG ILE A 3 64.919 -68.506 98.409 1.00 0.18 C HETATM 1864 OD1 ILE A 3 64.317 -69.410 98.998 1.00 -0.40 O HETATM 1865 ND2 ILE A 3 65.719 -68.772 97.366 1.00 -0.30 N HETATM 1866 H114 ILE A 3 65.807 -69.710 97.030 1.00 0.18 H HETATM 1867 H115 ILE A 3 66.227 -68.033 96.924 1.00 0.18 H HETATM 1868 H112 ILE A 3 64.107 -67.042 99.734 1.00 0.05 H HETATM 1869 H113 ILE A 3 65.807 -66.749 99.234 1.00 0.05 H HETATM 1870 H111 ILE A 3 63.476 -66.510 97.303 1.00 0.08 H HETATM 1871 H110 ILE A 3 66.273 -65.490 97.221 1.00 0.19 H HETATM 1872 CB ILE A 3 67.413 -66.947 94.375 1.00 -0.00 C HETATM 1873 CG1 ILE A 3 68.620 -66.571 93.464 1.00 -0.05 C HETATM 1874 CD1 ILE A 3 69.569 -67.731 93.015 1.00 -0.06 C HETATM 1875 H107 ILE A 3 70.371 -67.324 92.381 1.00 0.02 H HETATM 1876 H108 ILE A 3 68.994 -68.476 92.446 1.00 0.02 H HETATM 1877 H109 ILE A 3 70.010 -68.208 93.903 1.00 0.02 H HETATM 1878 H102 ILE A 3 69.231 -65.837 94.011 1.00 0.03 H HETATM 1879 H103 ILE A 3 68.215 -66.105 92.554 1.00 0.03 H HETATM 1880 CG2 ILE A 3 66.551 -68.076 93.745 1.00 -0.06 C HETATM 1881 H104 ILE A 3 65.711 -68.313 94.415 1.00 0.02 H HETATM 1882 H105 ILE A 3 67.171 -68.974 93.602 1.00 0.02 H HETATM 1883 H106 ILE A 3 66.161 -67.740 92.773 1.00 0.02 H HETATM 1884 H101 ILE A 3 67.818 -67.330 95.323 1.00 0.03 H HETATM 1885 H100 ILE A 3 66.199 -65.293 93.737 1.00 0.08 H HETATM 1886 H99 ILE A 3 68.289 -64.807 95.598 1.00 0.19 H HETATM 1887 CB ILE A 3 68.782 -61.728 95.264 1.00 0.00 C HETATM 1888 CG ILE A 3 68.190 -61.117 94.036 1.00 -0.04 C HETATM 1889 CD1 ILE A 3 67.845 -59.813 93.854 1.00 0.02 C HETATM 1890 NE1 ILE A 3 67.358 -59.627 92.583 1.00 -0.29 N HETATM 1891 CE2 ILE A 3 67.399 -60.818 91.910 1.00 0.06 C HETATM 1892 CD2 ILE A 3 67.932 -61.779 92.793 1.00 -0.02 C HETATM 1893 CE3 ILE A 3 68.088 -63.096 92.343 1.00 -0.07 C HETATM 1894 CZ3 ILE A 3 67.727 -63.402 91.046 1.00 -0.08 C HETATM 1895 CH2 ILE A 3 67.230 -62.422 90.183 1.00 -0.08 C HETATM 1896 CZ2 ILE A 3 67.060 -61.123 90.593 1.00 -0.04 C HETATM 1897 H96 ILE A 3 66.677 -60.365 89.919 1.00 0.05 H HETATM 1898 H98 ILE A 3 66.973 -62.694 89.166 1.00 0.05 H HETATM 1899 H97 ILE A 3 67.831 -64.421 90.691 1.00 0.05 H HETATM 1900 H95 ILE A 3 68.485 -63.861 93.001 1.00 0.05 H HETATM 1901 H94 ILE A 3 67.017 -58.734 92.198 1.00 0.22 H HETATM 1902 H93 ILE A 3 67.941 -59.031 94.606 1.00 0.08 H HETATM 1903 H91 ILE A 3 69.464 -62.533 94.953 1.00 0.04 H HETATM 1904 H92 ILE A 3 69.351 -60.950 95.795 1.00 0.04 H HETATM 1905 H90 ILE A 3 67.105 -61.493 96.556 1.00 0.08 H HETATM 1906 H89 ILE A 3 69.437 -62.886 97.381 1.00 0.19 H HETATM 1907 CB ILE A 3 69.407 -62.400 100.403 1.00 0.04 C HETATM 1908 CG ILE A 3 69.522 -61.039 99.649 1.00 0.04 C HETATM 1909 OD1 ILE A 3 68.465 -60.462 99.275 1.00 -0.57 O HETATM 1910 OD2 ILE A 3 70.660 -60.497 99.548 1.00 -0.57 O HETATM 1911 H87 ILE A 3 70.431 -62.712 100.655 1.00 0.05 H HETATM 1912 H88 ILE A 3 68.844 -62.206 101.328 1.00 0.05 H HETATM 1913 H86 ILE A 3 68.085 -64.123 100.449 1.00 0.08 H HETATM 1914 H85 ILE A 3 70.664 -64.453 99.442 1.00 0.19 H HETATM 1915 CB ILE A 3 71.077 -67.534 99.018 1.00 0.00 C HETATM 1916 CG ILE A 3 70.048 -68.535 99.434 1.00 -0.04 C HETATM 1917 CD1 ILE A 3 69.278 -68.492 100.558 1.00 0.02 C HETATM 1918 NE1 ILE A 3 68.387 -69.543 100.565 1.00 -0.29 N HETATM 1919 CE2 ILE A 3 68.551 -70.273 99.416 1.00 0.06 C HETATM 1920 CD2 ILE A 3 69.579 -69.654 98.669 1.00 -0.02 C HETATM 1921 CE3 ILE A 3 69.933 -70.203 97.427 1.00 -0.07 C HETATM 1922 CZ3 ILE A 3 69.257 -71.328 96.978 1.00 -0.08 C HETATM 1923 CH2 ILE A 3 68.232 -71.910 97.735 1.00 -0.08 C HETATM 1924 CZ2 ILE A 3 67.866 -71.403 98.956 1.00 -0.04 C HETATM 1925 H82 ILE A 3 67.077 -71.860 99.542 1.00 0.05 H HETATM 1926 H84 ILE A 3 67.716 -72.781 97.347 1.00 0.05 H HETATM 1927 H83 ILE A 3 69.527 -71.765 96.023 1.00 0.05 H HETATM 1928 H81 ILE A 3 70.720 -69.756 96.830 1.00 0.05 H HETATM 1929 H80 ILE A 3 67.708 -69.747 101.312 1.00 0.22 H HETATM 1930 H79 ILE A 3 69.356 -67.736 101.338 1.00 0.08 H HETATM 1931 H77 ILE A 3 71.382 -66.950 99.899 1.00 0.04 H HETATM 1932 H78 ILE A 3 71.949 -68.067 98.612 1.00 0.04 H HETATM 1933 H76 ILE A 3 70.151 -67.200 97.133 1.00 0.08 H HETATM 1934 H75 ILE A 3 72.501 -65.744 97.795 1.00 0.19 H HETATM 1935 CB ILE A 3 73.116 -64.610 94.648 1.00 -0.01 C HETATM 1936 CG ILE A 3 72.263 -65.134 93.486 1.00 -0.04 C HETATM 1937 CD1 ILE A 3 71.457 -64.043 92.866 1.00 -0.06 C HETATM 1938 H69 ILE A 3 70.859 -64.454 92.039 1.00 0.02 H HETATM 1939 H70 ILE A 3 72.130 -63.264 92.480 1.00 0.02 H HETATM 1940 H71 ILE A 3 70.787 -63.608 93.622 1.00 0.02 H HETATM 1941 CD2 ILE A 3 73.112 -65.749 92.432 1.00 -0.06 C HETATM 1942 H72 ILE A 3 73.715 -66.557 92.872 1.00 0.02 H HETATM 1943 H73 ILE A 3 73.779 -64.985 92.006 1.00 0.02 H HETATM 1944 H74 ILE A 3 72.471 -66.160 91.638 1.00 0.02 H HETATM 1945 H68 ILE A 3 71.578 -65.899 93.880 1.00 0.03 H HETATM 1946 H66 ILE A 3 73.722 -65.454 95.010 1.00 0.03 H HETATM 1947 H67 ILE A 3 73.777 -63.832 94.238 1.00 0.03 H HETATM 1948 H65 ILE A 3 71.922 -63.072 95.544 1.00 0.08 H HETATM 1949 H64 ILE A 3 74.332 -63.898 96.784 1.00 0.19 H HETATM 1950 CB ILE A 3 75.310 -61.712 98.396 1.00 0.04 C HETATM 1951 CG ILE A 3 74.861 -60.326 97.997 1.00 0.04 C HETATM 1952 OD1 ILE A 3 73.700 -59.957 98.313 1.00 -0.57 O HETATM 1953 OD2 ILE A 3 75.660 -59.611 97.350 1.00 -0.57 O HETATM 1954 H62 ILE A 3 75.678 -62.220 97.493 1.00 0.05 H HETATM 1955 H63 ILE A 3 76.133 -61.605 99.118 1.00 0.05 H HETATM 1956 H61 ILE A 3 73.808 -62.085 99.903 1.00 0.08 H HETATM 1957 H60 ILE A 3 75.890 -63.842 99.371 1.00 0.19 H HETATM 1958 CB ILE A 3 76.036 -65.833 101.675 1.00 -0.02 C HETATM 1959 H57 ILE A 3 75.290 -65.737 102.478 1.00 0.03 H HETATM 1960 H58 ILE A 3 76.629 -64.909 101.613 1.00 0.03 H HETATM 1961 H59 ILE A 3 76.701 -66.682 101.892 1.00 0.03 H HETATM 1962 H56 ILE A 3 74.751 -67.007 100.416 1.00 0.08 H HETATM 1963 H55 ILE A 3 77.284 -66.216 99.513 1.00 0.19 H HETATM 1964 CB ILE A 3 77.675 -64.986 96.572 1.00 -0.01 C HETATM 1965 CG ILE A 3 77.424 -64.832 95.125 1.00 -0.03 C HETATM 1966 CD ILE A 3 76.678 -66.005 94.601 1.00 0.04 C HETATM 1967 H53 ILE A 3 75.630 -65.741 94.393 1.00 0.05 H HETATM 1968 H54 ILE A 3 77.148 -66.389 93.684 1.00 0.05 H HETATM 1969 H51 ILE A 3 78.385 -64.749 94.597 1.00 0.03 H HETATM 1970 H52 ILE A 3 76.832 -63.921 94.955 1.00 0.03 H HETATM 1971 H49 ILE A 3 78.751 -64.890 96.781 1.00 0.03 H HETATM 1972 H50 ILE A 3 77.122 -64.220 97.135 1.00 0.03 H HETATM 1973 H48 ILE A 3 77.999 -66.967 97.422 1.00 0.08 H HETATM 1974 CB ILE A 3 74.408 -68.848 94.140 1.00 -0.00 C HETATM 1975 CG1 ILE A 3 73.575 -69.698 95.127 1.00 -0.05 C HETATM 1976 CD1 ILE A 3 73.102 -69.008 96.290 1.00 -0.06 C HETATM 1977 H45 ILE A 3 72.525 -69.702 96.919 1.00 0.02 H HETATM 1978 H46 ILE A 3 72.458 -68.171 95.983 1.00 0.02 H HETATM 1979 H47 ILE A 3 73.959 -68.622 96.861 1.00 0.02 H HETATM 1980 H40 ILE A 3 74.201 -70.538 95.463 1.00 0.03 H HETATM 1981 H41 ILE A 3 72.700 -70.087 94.585 1.00 0.03 H HETATM 1982 CG2 ILE A 3 74.083 -69.257 92.699 1.00 -0.06 C HETATM 1983 H42 ILE A 3 74.678 -68.649 92.002 1.00 0.02 H HETATM 1984 H43 ILE A 3 73.013 -69.095 92.504 1.00 0.02 H HETATM 1985 H44 ILE A 3 74.325 -70.321 92.556 1.00 0.02 H HETATM 1986 H39 ILE A 3 74.118 -67.796 94.277 1.00 0.03 H HETATM 1987 H38 ILE A 3 76.440 -68.413 93.553 1.00 0.08 H HETATM 1988 H37 ILE A 3 75.903 -71.023 94.849 1.00 0.19 H HETATM 1989 CB ILE A 3 79.102 -72.613 94.232 1.00 0.09 C HETATM 1990 OG1 ILE A 3 79.505 -73.917 93.803 1.00 -0.39 O HETATM 1991 H33 ILE A 3 80.367 -74.112 94.153 1.00 0.21 H HETATM 1992 CG2 ILE A 3 79.168 -72.520 95.752 1.00 -0.03 C HETATM 1993 H34 ILE A 3 80.179 -72.789 96.092 1.00 0.03 H HETATM 1994 H35 ILE A 3 78.436 -73.212 96.194 1.00 0.03 H HETATM 1995 H36 ILE A 3 78.936 -71.492 96.067 1.00 0.03 H HETATM 1996 H32 ILE A 3 79.817 -71.886 93.820 1.00 0.06 H HETATM 1997 H31 ILE A 3 76.991 -72.651 94.420 1.00 0.08 H HETATM 1998 H30 ILE A 3 77.943 -72.645 91.605 1.00 0.19 H HETATM 1999 CB ILE A 3 74.894 -73.700 90.140 1.00 -0.01 C HETATM 2000 CG1 ILE A 3 74.918 -72.173 90.242 1.00 -0.06 C HETATM 2001 H24 ILE A 3 74.043 -71.757 89.721 1.00 0.02 H HETATM 2002 H25 ILE A 3 75.838 -71.789 89.777 1.00 0.02 H HETATM 2003 H26 ILE A 3 74.890 -71.876 91.301 1.00 0.02 H HETATM 2004 CG2 ILE A 3 74.816 -74.144 88.677 1.00 -0.06 C HETATM 2005 H27 ILE A 3 74.800 -75.243 88.628 1.00 0.02 H HETATM 2006 H28 ILE A 3 75.693 -73.765 88.132 1.00 0.02 H HETATM 2007 H29 ILE A 3 73.899 -73.743 88.221 1.00 0.02 H HETATM 2008 H23 ILE A 3 73.984 -74.054 90.646 1.00 0.03 H HETATM 2009 H22 ILE A 3 77.002 -74.126 90.252 1.00 0.08 H HETATM 2010 H21 ILE A 3 75.298 -76.188 91.564 1.00 0.19 H HETATM 2011 CB ILE A 3 77.618 -78.765 91.309 1.00 0.04 C HETATM 2012 CG ILE A 3 77.451 -80.208 91.677 1.00 0.06 C HETATM 2013 ND1 ILE A 3 76.512 -80.612 92.613 1.00 -0.26 N HETATM 2014 CE1 ILE A 3 76.635 -81.929 92.703 1.00 0.09 C HETATM 2015 NE2 ILE A 3 77.600 -82.388 91.901 1.00 -0.34 N HETATM 2016 CD2 ILE A 3 78.140 -81.295 91.251 1.00 -0.03 C HETATM 2017 H19 ILE A 3 78.960 -81.305 90.535 1.00 0.03 H HETATM 2018 H20 ILE A 3 76.025 -82.558 93.350 1.00 0.11 H HETATM 2019 H18 ILE A 3 75.854 -80.013 93.132 1.00 0.24 H HETATM 2020 H16 ILE A 3 77.680 -78.182 92.240 1.00 0.05 H HETATM 2021 H17 ILE A 3 78.560 -78.664 90.749 1.00 0.05 H HETATM 2022 H15 ILE A 3 75.526 -78.292 90.977 1.00 0.08 H HETATM 2023 H14 ILE A 3 77.142 -78.710 88.505 1.00 0.19 H HETATM 2024 CB ILE A 3 74.932 -79.229 86.161 1.00 0.02 C HETATM 2025 CG1 ILE A 3 75.777 -79.462 84.868 1.00 -0.05 C HETATM 2026 CD1 ILE A 3 75.263 -78.873 83.506 1.00 -0.06 C HETATM 2027 H11 ILE A 3 75.973 -79.128 82.705 1.00 0.02 H HETATM 2028 H12 ILE A 3 75.180 -77.779 83.588 1.00 0.02 H HETATM 2029 H13 ILE A 3 74.276 -79.299 83.271 1.00 0.02 H HETATM 2030 H6 ILE A 3 75.869 -80.550 84.734 1.00 0.03 H HETATM 2031 H7 ILE A 3 76.772 -79.030 85.051 1.00 0.03 H HETATM 2032 CG2 ILE A 3 74.901 -77.726 86.568 1.00 -0.06 C HETATM 2033 H8 ILE A 3 74.298 -77.606 87.480 1.00 0.02 H HETATM 2034 H9 ILE A 3 74.457 -77.135 85.754 1.00 0.02 H HETATM 2035 H10 ILE A 3 75.927 -77.376 86.758 1.00 0.02 H HETATM 2036 H5 ILE A 3 73.895 -79.529 85.951 1.00 0.04 H HETATM 2037 H4 ILE A 3 76.561 -80.272 87.097 1.00 0.11 H HETATM 2038 H1 ILE A 3 75.277 -82.087 87.926 1.00 0.20 H HETATM 2039 H2 ILE A 3 75.135 -81.910 86.295 1.00 0.20 H HETATM 2040 H3 ILE A 3 73.902 -81.448 87.284 1.00 0.20 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 388 387 842 CONECT 437 436 858 CONECT 705 706 711 712 713 CONECT 712 705 CONECT 713 705 CONECT 842 388 841 CONECT 858 437 857 CONECT 902 903 912 913 914 CONECT 912 902 CONECT 913 902 CONECT 914 902 CONECT 1289 1288 1743 CONECT 1338 1337 1759 CONECT 1606 1607 1612 1613 1614 CONECT 1613 1606 CONECT 1614 1606 CONECT 1743 1289 1742 CONECT 1759 1338 1758 CONECT 1805 1806 2038 2039 2040 CONECT 1806 1805 1807 2024 2037 CONECT 1807 1806 1808 1809 CONECT 1808 1807 CONECT 1809 1807 1810 2023 CONECT 1810 1809 1811 2011 2022 CONECT 1811 1810 1812 1813 CONECT 1812 1811 CONECT 1813 1811 1814 2010 CONECT 1814 1813 1815 1999 2009 CONECT 1815 1814 1816 1817 CONECT 1816 1815 CONECT 1817 1815 1818 1998 CONECT 1818 1817 1819 1989 1997 CONECT 1819 1818 1820 1821 CONECT 1820 1819 CONECT 1821 1819 1822 1988 CONECT 1822 1821 1823 1974 1987 CONECT 1823 1822 1824 1825 CONECT 1824 1823 CONECT 1825 1823 1826 1966 CONECT 1826 1825 1827 1964 1973 CONECT 1827 1826 1828 1829 CONECT 1828 1827 CONECT 1829 1827 1830 1963 CONECT 1830 1829 1831 1958 1962 CONECT 1831 1830 1832 1833 CONECT 1832 1831 CONECT 1833 1831 1834 1957 CONECT 1834 1833 1835 1950 1956 CONECT 1835 1834 1836 1837 CONECT 1836 1835 CONECT 1837 1835 1838 1949 CONECT 1838 1837 1839 1935 1948 CONECT 1839 1838 1840 1841 CONECT 1840 1839 CONECT 1841 1839 1842 1934 CONECT 1842 1841 1843 1915 1933 CONECT 1843 1842 1844 1845 CONECT 1844 1843 CONECT 1845 1843 1846 1914 CONECT 1846 1845 1847 1907 1913 CONECT 1847 1846 1848 1849 CONECT 1848 1847 CONECT 1849 1847 1850 1906 CONECT 1850 1849 1851 1887 1905 CONECT 1851 1850 1852 1853 CONECT 1852 1851 CONECT 1853 1851 1854 1886 CONECT 1854 1853 1855 1872 1885 CONECT 1855 1854 1856 1857 CONECT 1856 1855 CONECT 1857 1855 1858 1871 CONECT 1858 1857 1859 1862 1870 CONECT 1859 1858 1860 1861 CONECT 1860 1859 CONECT 1861 1859 CONECT 1862 1858 1863 1868 1869 CONECT 1863 1862 1864 1865 CONECT 1864 1863 CONECT 1865 1863 1866 1867 CONECT 1866 1865 CONECT 1867 1865 CONECT 1868 1862 CONECT 1869 1862 CONECT 1870 1858 CONECT 1871 1857 CONECT 1872 1854 1873 1880 1884 CONECT 1873 1872 1874 1878 1879 CONECT 1874 1873 1875 1876 1877 CONECT 1875 1874 CONECT 1876 1874 CONECT 1877 1874 CONECT 1878 1873 CONECT 1879 1873 CONECT 1880 1872 1881 1882 1883 CONECT 1881 1880 CONECT 1882 1880 CONECT 1883 1880 CONECT 1884 1872 CONECT 1885 1854 CONECT 1886 1853 CONECT 1887 1850 1888 1903 1904 CONECT 1888 1887 1889 1892 CONECT 1889 1888 1890 1902 CONECT 1890 1889 1891 1901 CONECT 1891 1890 1892 1896 CONECT 1892 1888 1891 1893 CONECT 1893 1892 1894 1900 CONECT 1894 1893 1895 1899 CONECT 1895 1894 1896 1898 CONECT 1896 1891 1895 1897 CONECT 1897 1896 CONECT 1898 1895 CONECT 1899 1894 CONECT 1900 1893 CONECT 1901 1890 CONECT 1902 1889 CONECT 1903 1887 CONECT 1904 1887 CONECT 1905 1850 CONECT 1906 1849 CONECT 1907 1846 1908 1911 1912 CONECT 1908 1907 1909 1910 CONECT 1909 1908 CONECT 1910 1908 CONECT 1911 1907 CONECT 1912 1907 CONECT 1913 1846 CONECT 1914 1845 CONECT 1915 1842 1916 1931 1932 CONECT 1916 1915 1917 1920 CONECT 1917 1916 1918 1930 CONECT 1918 1917 1919 1929 CONECT 1919 1918 1920 1924 CONECT 1920 1916 1919 1921 CONECT 1921 1920 1922 1928 CONECT 1922 1921 1923 1927 CONECT 1923 1922 1924 1926 CONECT 1924 1919 1923 1925 CONECT 1925 1924 CONECT 1926 1923 CONECT 1927 1922 CONECT 1928 1921 CONECT 1929 1918 CONECT 1930 1917 CONECT 1931 1915 CONECT 1932 1915 CONECT 1933 1842 CONECT 1934 1841 CONECT 1935 1838 1936 1946 1947 CONECT 1936 1935 1937 1941 1945 CONECT 1937 1936 1938 1939 1940 CONECT 1938 1937 CONECT 1939 1937 CONECT 1940 1937 CONECT 1941 1936 1942 1943 1944 CONECT 1942 1941 CONECT 1943 1941 CONECT 1944 1941 CONECT 1945 1936 CONECT 1946 1935 CONECT 1947 1935 CONECT 1948 1838 CONECT 1949 1837 CONECT 1950 1834 1951 1954 1955 CONECT 1951 1950 1952 1953 CONECT 1952 1951 CONECT 1953 1951 CONECT 1954 1950 CONECT 1955 1950 CONECT 1956 1834 CONECT 1957 1833 CONECT 1958 1830 1959 1960 1961 CONECT 1959 1958 CONECT 1960 1958 CONECT 1961 1958 CONECT 1962 1830 CONECT 1963 1829 CONECT 1964 1826 1965 1971 1972 CONECT 1965 1964 1966 1969 1970 CONECT 1966 1825 1965 1967 1968 CONECT 1967 1966 CONECT 1968 1966 CONECT 1969 1965 CONECT 1970 1965 CONECT 1971 1964 CONECT 1972 1964 CONECT 1973 1826 CONECT 1974 1822 1975 1982 1986 CONECT 1975 1974 1976 1980 1981 CONECT 1976 1975 1977 1978 1979 CONECT 1977 1976 CONECT 1978 1976 CONECT 1979 1976 CONECT 1980 1975 CONECT 1981 1975 CONECT 1982 1974 1983 1984 1985 CONECT 1983 1982 CONECT 1984 1982 CONECT 1985 1982 CONECT 1986 1974 CONECT 1987 1822 CONECT 1988 1821 CONECT 1989 1818 1990 1992 1996 CONECT 1990 1989 1991 CONECT 1991 1990 CONECT 1992 1989 1993 1994 1995 CONECT 1993 1992 CONECT 1994 1992 CONECT 1995 1992 CONECT 1996 1989 CONECT 1997 1818 CONECT 1998 1817 CONECT 1999 1814 2000 2004 2008 CONECT 2000 1999 2001 2002 2003 CONECT 2001 2000 CONECT 2002 2000 CONECT 2003 2000 CONECT 2004 1999 2005 2006 2007 CONECT 2005 2004 CONECT 2006 2004 CONECT 2007 2004 CONECT 2008 1999 CONECT 2009 1814 CONECT 2010 1813 CONECT 2011 1810 2012 2020 2021 CONECT 2012 2011 2013 2016 CONECT 2013 2012 2014 2019 CONECT 2014 2013 2015 2018 CONECT 2015 2014 2016 CONECT 2016 2012 2015 2017 CONECT 2017 2016 CONECT 2018 2014 CONECT 2019 2013 CONECT 2020 2011 CONECT 2021 2011 CONECT 2022 1810 CONECT 2023 1809 CONECT 2024 1806 2025 2032 2036 CONECT 2025 2024 2026 2030 2031 CONECT 2026 2025 2027 2028 2029 CONECT 2027 2026 CONECT 2028 2026 CONECT 2029 2026 CONECT 2030 2025 CONECT 2031 2025 CONECT 2032 2024 2033 2034 2035 CONECT 2033 2032 CONECT 2034 2032 CONECT 2035 2032 CONECT 2036 2024 CONECT 2037 1806 CONECT 2038 1805 CONECT 2039 1805 CONECT 2040 1805 MASTER 0 0 0 0 0 0 0 0 2036 4 258 16 END
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16-mer
4edu
RCSB PDB
PDBbind
16-mer
4hs6
RCSB PDB
PDBbind
16-mer
4hs8
RCSB PDB
PDBbind
16-mer
4is6
RCSB PDB
PDBbind
16-mer
4j8r
RCSB PDB
PDBbind
16-mer
4l3o
RCSB PDB
PDBbind
16-mer
4nuf
RCSB PDB
PDBbind
16-mer
4odk
RCSB PDB
PDBbind
16-mer
4odl
RCSB PDB
PDBbind
16-mer
4odm
RCSB PDB
PDBbind
16-mer
4odp
RCSB PDB
PDBbind
16-mer
4odq
RCSB PDB
PDBbind
16-mer
4pz5
RCSB PDB
PDBbind
16-mer
4qq4
RCSB PDB
PDBbind
16-mer
4tzm
RCSB PDB
PDBbind
16-mer
4tzn
RCSB PDB
PDBbind
16-mer
4u2w
RCSB PDB
PDBbind
16-mer
4ud7
RCSB PDB
PDBbind
16-mer
4ue1
RCSB PDB
PDBbind
16-mer
4wci
RCSB PDB
PDBbind
16-mer
4wy7
RCSB PDB
PDBbind
16-mer
4yhp
RCSB PDB
PDBbind
16-mer
4zdu
RCSB PDB
PDBbind
16-mer
5eta
RCSB PDB
PDBbind
16-mer
5iay
RCSB PDB
PDBbind
16-mer
5icx
RCSB PDB
PDBbind
16-mer
5iy4
RCSB PDB
PDBbind
16-mer
5klr
RCSB PDB
PDBbind
16-mer
5klt
RCSB PDB
PDBbind
16-mer
5lvf
RCSB PDB
PDBbind
16-mer
5ly3
RCSB PDB
PDBbind
16-mer
5m9d
RCSB PDB
PDBbind
16-mer
5myk
RCSB PDB
PDBbind
16-mer
5myx
RCSB PDB
PDBbind
16-mer
5nin
RCSB PDB
PDBbind
16-mer
5njx
RCSB PDB
PDBbind
16-mer
5o4y
RCSB PDB
PDBbind
16-mer
5u2j
RCSB PDB
PDBbind
16-mer
5v1y
RCSB PDB
PDBbind
16-mer
5v6y
RCSB PDB
PDBbind
16-mer
5wa4
RCSB PDB
PDBbind
16-mer
5wbl
RCSB PDB
PDBbind
16-mer
5wqd
RCSB PDB
PDBbind
16-mer
5y7w
RCSB PDB
PDBbind
16-mer
6bhi
RCSB PDB
PDBbind
16-mer
6g84
RCSB PDB
PDBbind
16-mer
6g85
RCSB PDB
PDBbind
16-mer
6g86
RCSB PDB
PDBbind
16-mer
6h0b
RCSB PDB
PDBbind
16-mer
6qsz
RCSB PDB
PDBbind
16-mer
6pi7
RCSB PDB
PDBbind
16-mer
6me1
RCSB PDB
PDBbind
16-mer
6d08
RCSB PDB
PDBbind
16-mer
6d07
RCSB PDB
PDBbind
16-mer
5zml
RCSB PDB
PDBbind
16-mer
5w4e
RCSB PDB
PDBbind
16-mer
6tyz
RCSB PDB
PDBbind
16-mer
Entry Information
PDB ID
5hhx
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
human Interleukin-17A complexed with CAT-2000 FAB
Ligand Name
16-mer
EC.Number
E.C.1.20.4
Resolution
3(Å)
Affinity (Kd/Ki/IC50)
Kd=6.16nM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Sci Rep Vol. 6: pp. 26071-26071
Ligand Properties
Formula
C
8
1
H
1
1
8
N
1
9
O
2
1
Molecular Weight
1693.920
Exact Mass
1692.870
No. of atoms
239
No. of bonds
244
Polar Surface Area
632.63
LOGP Value
3.35 (
Computed with XLOGP3
)
3.30 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 18
No. of Hydrogen Bond Acceptors: 22
No. of Rotatable Bonds: 59
No. of Nitrogen and Oxygen Atoms: 40
No. of Rings: 6
Canonical SMILES
CC[C@@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(=O)N)[C@H](CC)C)Cc1c[nH]c2c1cccc2)CC(=O)O)Cc1c[nH]c2c1cccc2)CC(C)C)CC(=O)O)C)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)[NH3+])Cc1[nH]cnc1)C
InChI String
InChI=1S/C81H117N19O21/c1-13-40(8)63(83)76(115)94-55(30-47-36-84-37-87-47)74(113)96-64(39(6)7)77(116)99-67(44(12)101)79(118)98-66(42(10)15-3)80(119)100-26-20-25-59(100)75(114)88-43(11)68(107)89-56(32-61(103)104)71(110)90-52(27-38(4)5)69(108)91-53(28-45-34-85-50-23-18-16-21-48(45)50)70(109)93-57(33-62(105)106)72(111)92-54(29-46-35-86-51-24-19-17-22-49(46)51)73(112)97-65(41(9)14-2)78(117)95-58(81(120)121)31-60(82)102/h16-19,21-24,34-44,52-59,63-67,85-86,101H,13-15,20,25-33,83H2,1-12H3,(H2,82,102)(H,84,87)(H,88,114)(H,89,107)(H,90,110)(H,91,108)(H,92,111)(H,93,109)(H,94,115)(H,95,117)(H,96,113)(H,97,112)(H,98,118)(H,99,116)(H,103,104)(H,105,106)(H,120,121)/p+1/t40-,41-,42-,43-,44+,52-,53-,54-,55-,56-,57-,58-,59-,63-,64-,65-,66-,67-/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):
Q16552
Entrez Gene ID
NCBI Entrez Gene ID:
3605
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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