Browse entries in the PDBbind-CN Database
HEADER 6DH2_COMPLEX COMPND 6DH2_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 99 PRO GLN ILE THR LEU TRP LYS ARG PRO LEU VAL THR ILE SEQRES 2 A 99 LYS ILE GLY GLY GLN LEU LYS GLU ALA LEU LEU ASP THR SEQRES 3 A 99 GLY ALA ASP ASP THR VAL LEU GLU GLU MET ASN LEU PRO SEQRES 4 A 99 GLY ARG TRP LYS PRO LYS MET ILE GLY GLY ILE GLY GLY SEQRES 5 A 99 PHE ILE LYS VAL ARG GLN TYR ASP GLN ILE LEU ILE GLU SEQRES 6 A 99 ILE CYS GLY HIS LYS ALA ILE GLY THR VAL LEU VAL GLY SEQRES 7 A 99 PRO THR PRO VAL ASN VAL ILE GLY ARG ASN LEU LEU THR SEQRES 8 A 99 GLN ILE GLY CYS THR LEU ASN PHE SEQRES 1 B 99 PRO GLN ILE THR LEU TRP LYS ARG PRO LEU VAL THR ILE SEQRES 2 B 99 LYS ILE GLY GLY GLN LEU LYS GLU ALA LEU LEU ASP THR SEQRES 3 B 99 GLY ALA ASP ASP THR VAL LEU GLU GLU MET ASN LEU PRO SEQRES 4 B 99 GLY ARG TRP LYS PRO LYS MET ILE GLY GLY ILE GLY GLY SEQRES 5 B 99 PHE ILE LYS VAL ARG GLN TYR ASP GLN ILE LEU ILE GLU SEQRES 6 B 99 ILE CYS GLY HIS LYS ALA ILE GLY THR VAL LEU VAL GLY SEQRES 7 B 99 PRO THR PRO VAL ASN VAL ILE GLY ARG ASN LEU LEU THR SEQRES 8 B 99 GLN ILE GLY CYS THR LEU ASN PHE HET A A 60 87 ATOM 1 N PRO A 1 131.372 65.351 -3.115 1.00 31.38 N ATOM 2 CA PRO A 1 130.418 64.523 -3.862 1.00 33.38 C ATOM 3 C PRO A 1 129.011 64.591 -3.298 1.00 27.97 C ATOM 4 O PRO A 1 128.827 65.094 -2.193 1.00 24.31 O ATOM 5 CB PRO A 1 130.979 63.110 -3.703 1.00 40.43 C ATOM 6 CG PRO A 1 131.741 63.152 -2.425 1.00 38.98 C ATOM 7 CD PRO A 1 132.330 64.532 -2.351 1.00 32.77 C ATOM 8 HN2 PRO A 1 130.846 65.958 -2.454 1.00 0.00 H ATOM 9 HN1 PRO A 1 131.898 65.946 -3.786 1.00 0.00 H ATOM 10 N GLN A 2 128.047 64.081 -4.057 1.00 27.68 N ATOM 11 CA GLN A 2 126.678 63.904 -3.597 1.00 25.03 C ATOM 12 C GLN A 2 126.451 62.423 -3.321 1.00 29.77 C ATOM 13 O GLN A 2 126.704 61.582 -4.189 1.00 30.35 O ATOM 14 CB GLN A 2 125.686 64.411 -4.642 1.00 29.14 C ATOM 15 CG GLN A 2 124.226 64.226 -4.274 1.00 26.36 C ATOM 16 CD GLN A 2 123.289 64.877 -5.278 1.00 32.98 C ATOM 17 OE1 GLN A 2 122.948 64.286 -6.302 1.00 36.25 O ATOM 18 NE2 GLN A 2 122.871 66.100 -4.989 1.00 22.64 N ATOM 19 HE22 GLN A 2 123.184 66.563 -4.112 1.00 0.00 H ATOM 20 HE21 GLN A 2 122.230 66.598 -5.639 1.00 0.00 H ATOM 21 H GLN A 2 128.283 63.794 -5.028 1.00 0.00 H ATOM 22 N ILE A 3 125.990 62.108 -2.113 1.00 23.47 N ATOM 23 CA ILE A 3 125.801 60.732 -1.669 1.00 21.10 C ATOM 24 C ILE A 3 124.310 60.505 -1.445 1.00 22.16 C ATOM 25 O ILE A 3 123.676 61.208 -0.648 1.00 16.93 O ATOM 26 CB ILE A 3 126.612 60.441 -0.397 1.00 23.20 C ATOM 27 CG1 ILE A 3 128.101 60.655 -0.673 1.00 23.50 C ATOM 28 CG2 ILE A 3 126.353 59.020 0.099 1.00 19.92 C ATOM 29 CD1 ILE A 3 128.995 60.583 0.546 1.00 27.35 C ATOM 30 H ILE A 3 125.754 62.878 -1.456 1.00 0.00 H ATOM 31 N THR A 4 123.745 59.537 -2.161 1.00 19.32 N ATOM 32 CA THR A 4 122.390 59.090 -1.889 1.00 18.88 C ATOM 33 C THR A 4 122.403 58.084 -0.740 1.00 21.17 C ATOM 34 O THR A 4 123.456 57.600 -0.314 1.00 26.47 O ATOM 35 CB THR A 4 121.754 58.464 -3.134 1.00 22.41 C ATOM 36 OG1 THR A 4 122.615 57.442 -3.651 1.00 27.52 O ATOM 37 CG2 THR A 4 121.516 59.514 -4.209 1.00 23.53 C ATOM 38 HG1 THR A 4 122.747 56.744 -2.962 1.00 0.00 H ATOM 39 H THR A 4 124.284 59.091 -2.931 1.00 0.00 H ATOM 40 N LEU A 5 121.209 57.761 -0.242 1.00 22.98 N ATOM 41 CA LEU A 5 121.067 57.032 1.014 1.00 20.30 C ATOM 42 C LEU A 5 120.377 55.683 0.839 1.00 23.32 C ATOM 43 O LEU A 5 119.869 55.118 1.814 1.00 23.16 O ATOM 44 CB LEU A 5 120.319 57.904 2.023 1.00 15.02 C ATOM 45 CG LEU A 5 121.051 59.232 2.268 1.00 16.13 C ATOM 46 CD1 LEU A 5 120.205 60.186 3.093 1.00 15.29 C ATOM 47 CD2 LEU A 5 122.396 58.987 2.958 1.00 18.99 C ATOM 48 H LEU A 5 120.353 58.037 -0.765 1.00 0.00 H ATOM 49 N TRP A 6 120.373 55.142 -0.382 1.00 28.18 N ATOM 50 CA TRP A 6 119.820 53.811 -0.600 1.00 23.78 C ATOM 51 C TRP A 6 120.629 52.754 0.135 1.00 22.65 C ATOM 52 O TRP A 6 120.088 51.714 0.525 1.00 22.65 O ATOM 53 CB TRP A 6 119.766 53.515 -2.099 1.00 31.13 C ATOM 54 CG TRP A 6 118.944 54.516 -2.837 1.00 26.83 C ATOM 55 CD1 TRP A 6 119.398 55.534 -3.627 1.00 29.29 C ATOM 56 CD2 TRP A 6 117.518 54.616 -2.832 1.00 25.26 C ATOM 57 NE1 TRP A 6 118.339 56.258 -4.118 1.00 32.54 N ATOM 58 CE2 TRP A 6 117.173 55.713 -3.645 1.00 25.85 C ATOM 59 CE3 TRP A 6 116.498 53.882 -2.221 1.00 30.97 C ATOM 60 CZ2 TRP A 6 115.853 56.092 -3.862 1.00 28.04 C ATOM 61 CZ3 TRP A 6 115.188 54.261 -2.439 1.00 27.09 C ATOM 62 CH2 TRP A 6 114.876 55.350 -3.252 1.00 33.18 C ATOM 63 HE1 TRP A 6 118.410 57.084 -4.746 1.00 0.00 H ATOM 64 H TRP A 6 120.767 55.674 -1.184 1.00 0.00 H ATOM 65 N LYS A 7 121.917 53.000 0.336 1.00 22.15 N ATOM 66 CA LYS A 7 122.760 52.169 1.183 1.00 28.34 C ATOM 67 C LYS A 7 123.419 53.058 2.227 1.00 17.83 C ATOM 68 O LYS A 7 123.351 54.285 2.153 1.00 20.95 O ATOM 69 CB LYS A 7 123.815 51.420 0.360 1.00 27.13 C ATOM 70 CG LYS A 7 124.700 52.320 -0.474 1.00 37.62 C ATOM 71 CD LYS A 7 125.231 51.597 -1.701 1.00 46.44 C ATOM 72 CE LYS A 7 126.305 50.587 -1.337 1.00 55.57 C ATOM 73 NZ LYS A 7 127.287 50.416 -2.442 1.00 64.04 N ATOM 74 HZ1 LYS A 7 126.793 50.081 -3.294 1.00 0.00 H ATOM 75 HZ2 LYS A 7 127.745 51.328 -2.641 1.00 0.00 H ATOM 76 HZ3 LYS A 7 128.006 49.720 -2.160 1.00 0.00 H ATOM 77 H LYS A 7 122.344 53.824 -0.133 1.00 0.00 H ATOM 78 N ARG A 8 124.053 52.426 3.210 1.00 17.24 N ATOM 79 CA ARG A 8 124.727 53.174 4.261 1.00 17.50 C ATOM 80 C ARG A 8 125.778 54.104 3.653 1.00 21.33 C ATOM 81 O ARG A 8 126.555 53.680 2.787 1.00 15.95 O ATOM 82 CB ARG A 8 125.387 52.219 5.259 1.00 22.07 C ATOM 83 CG ARG A 8 124.403 51.468 6.152 1.00 18.83 C ATOM 84 CD ARG A 8 125.095 50.837 7.366 1.00 25.42 C ATOM 85 NE ARG A 8 124.122 50.300 8.315 1.00 30.61 N ATOM 86 CZ ARG A 8 124.400 49.925 9.561 1.00 35.11 C ATOM 87 NH1 ARG A 8 125.636 50.018 10.036 1.00 29.44 N ATOM 88 NH2 ARG A 8 123.433 49.453 10.341 1.00 27.01 N ATOM 89 HE ARG A 8 123.138 50.204 7.992 1.00 0.00 H ATOM 90 HH12 ARG A 8 125.842 49.722 11.011 1.00 0.00 H ATOM 91 HH11 ARG A 8 126.399 50.387 9.433 1.00 0.00 H ATOM 92 HH22 ARG A 8 123.648 49.159 11.315 1.00 0.00 H ATOM 93 HH21 ARG A 8 122.462 49.377 9.977 1.00 0.00 H ATOM 94 H ARG A 8 124.067 51.386 3.228 1.00 0.00 H ATOM 95 N PRO A 9 125.835 55.379 4.072 1.00 17.79 N ATOM 96 CA PRO A 9 126.887 56.283 3.542 1.00 16.37 C ATOM 97 C PRO A 9 128.264 56.026 4.147 1.00 18.63 C ATOM 98 O PRO A 9 128.781 56.762 4.992 1.00 14.39 O ATOM 99 CB PRO A 9 126.349 57.669 3.901 1.00 14.05 C ATOM 100 CG PRO A 9 125.533 57.449 5.112 1.00 15.74 C ATOM 101 CD PRO A 9 124.891 56.100 4.941 1.00 17.90 C ATOM 102 N LEU A 10 128.882 54.940 3.681 1.00 23.87 N ATOM 103 CA LEU A 10 130.184 54.508 4.167 1.00 20.90 C ATOM 104 C LEU A 10 131.287 55.085 3.287 1.00 25.35 C ATOM 105 O LEU A 10 131.202 55.037 2.056 1.00 28.80 O ATOM 106 CB LEU A 10 130.275 52.982 4.184 1.00 25.85 C ATOM 107 CG LEU A 10 129.392 52.282 5.220 1.00 26.70 C ATOM 108 CD1 LEU A 10 129.352 50.783 4.968 1.00 30.69 C ATOM 109 CD2 LEU A 10 129.895 52.564 6.623 1.00 24.59 C ATOM 110 H LEU A 10 128.415 54.379 2.940 1.00 0.00 H ATOM 111 N VAL A 11 132.325 55.620 3.926 1.00 23.12 N ATOM 112 CA VAL A 11 133.458 56.205 3.227 1.00 22.10 C ATOM 113 C VAL A 11 134.741 55.773 3.915 1.00 18.09 C ATOM 114 O VAL A 11 134.749 55.340 5.072 1.00 17.71 O ATOM 115 CB VAL A 11 133.381 57.746 3.176 1.00 22.62 C ATOM 116 CG1 VAL A 11 132.104 58.170 2.469 1.00 23.21 C ATOM 117 CG2 VAL A 11 133.449 58.334 4.578 1.00 26.59 C ATOM 118 H VAL A 11 132.326 55.620 4.966 1.00 0.00 H ATOM 119 N THR A 12 135.837 55.903 3.181 1.00 19.00 N ATOM 120 CA THR A 12 137.153 55.603 3.710 1.00 20.89 C ATOM 121 C THR A 12 137.712 56.840 4.397 1.00 20.89 C ATOM 122 O THR A 12 137.629 57.949 3.860 1.00 27.86 O ATOM 123 CB THR A 12 138.077 55.134 2.584 1.00 28.83 C ATOM 124 OG1 THR A 12 137.450 54.048 1.888 1.00 24.21 O ATOM 125 CG2 THR A 12 139.412 54.667 3.133 1.00 25.69 C ATOM 126 HG1 THR A 12 138.043 53.739 1.158 1.00 0.00 H ATOM 127 H THR A 12 135.750 56.230 2.197 1.00 0.00 H ATOM 128 N ILE A 13 138.256 56.645 5.595 1.00 19.38 N ATOM 129 CA ILE A 13 138.887 57.705 6.364 1.00 23.97 C ATOM 130 C ILE A 13 140.335 57.308 6.611 1.00 27.92 C ATOM 131 O ILE A 13 140.686 56.126 6.596 1.00 21.31 O ATOM 132 CB ILE A 13 138.162 57.962 7.701 1.00 21.09 C ATOM 133 CG1 ILE A 13 138.257 56.718 8.596 1.00 23.26 C ATOM 134 CG2 ILE A 13 136.706 58.323 7.437 1.00 19.83 C ATOM 135 CD1 ILE A 13 137.761 56.919 10.002 1.00 22.78 C ATOM 136 H ILE A 13 138.229 55.688 6.001 1.00 0.00 H ATOM 137 N LYS A 14 141.180 58.309 6.851 1.00 30.93 N ATOM 138 CA LYS A 14 142.558 58.072 7.267 1.00 26.13 C ATOM 139 C LYS A 14 142.785 58.751 8.608 1.00 29.57 C ATOM 140 O LYS A 14 142.573 59.962 8.741 1.00 27.57 O ATOM 141 CB LYS A 14 143.563 58.577 6.228 1.00 37.08 C ATOM 142 CG LYS A 14 145.012 58.307 6.633 1.00 36.86 C ATOM 143 CD LYS A 14 145.983 58.436 5.465 1.00 44.10 C ATOM 144 CE LYS A 14 146.100 59.869 4.957 1.00 56.63 C ATOM 145 NZ LYS A 14 146.369 60.855 6.041 1.00 48.91 N ATOM 146 HZ1 LYS A 14 145.593 60.828 6.733 1.00 0.00 H ATOM 147 HZ2 LYS A 14 147.264 60.614 6.513 1.00 0.00 H ATOM 148 HZ3 LYS A 14 146.437 61.809 5.631 1.00 0.00 H ATOM 149 H LYS A 14 140.848 59.288 6.739 1.00 0.00 H ATOM 150 N ILE A 15 143.199 57.968 9.600 1.00 26.94 N ATOM 151 CA ILE A 15 143.464 58.475 10.939 1.00 26.62 C ATOM 152 C ILE A 15 144.659 57.724 11.509 1.00 34.32 C ATOM 153 O ILE A 15 144.764 56.501 11.367 1.00 35.29 O ATOM 154 CB ILE A 15 142.233 58.342 11.865 1.00 25.67 C ATOM 155 CG1 ILE A 15 142.550 58.959 13.229 1.00 27.11 C ATOM 156 CG2 ILE A 15 141.793 56.875 11.977 1.00 32.81 C ATOM 157 CD1 ILE A 15 141.432 58.902 14.236 1.00 29.47 C ATOM 158 H ILE A 15 143.339 56.955 9.412 1.00 0.00 H ATOM 159 N GLY A 16 145.561 58.462 12.152 1.00 35.69 N ATOM 160 CA GLY A 16 146.756 57.881 12.733 1.00 35.76 C ATOM 161 C GLY A 16 147.574 57.089 11.733 1.00 34.98 C ATOM 162 O GLY A 16 148.286 56.154 12.111 1.00 42.49 O ATOM 163 H GLY A 16 145.404 59.486 12.240 1.00 0.00 H ATOM 164 N GLY A 17 147.479 57.452 10.455 1.00 32.06 N ATOM 165 CA GLY A 17 148.207 56.771 9.404 1.00 29.68 C ATOM 166 C GLY A 17 147.560 55.504 8.903 1.00 37.18 C ATOM 167 O GLY A 17 148.176 54.787 8.107 1.00 40.87 O ATOM 168 H GLY A 17 146.862 58.250 10.203 1.00 0.00 H ATOM 169 N GLN A 18 146.337 55.213 9.335 1.00 35.73 N ATOM 170 CA GLN A 18 145.628 53.994 8.984 1.00 33.84 C ATOM 171 C GLN A 18 144.367 54.337 8.205 1.00 33.43 C ATOM 172 O GLN A 18 143.708 55.347 8.476 1.00 31.28 O ATOM 173 CB GLN A 18 145.252 53.214 10.250 1.00 37.22 C ATOM 174 CG GLN A 18 144.915 51.753 10.044 1.00 41.10 C ATOM 175 CD GLN A 18 144.800 51.020 11.364 1.00 39.11 C ATOM 176 OE1 GLN A 18 144.036 51.420 12.244 1.00 39.12 O ATOM 177 NE2 GLN A 18 145.579 49.959 11.522 1.00 46.81 N ATOM 178 HE22 GLN A 18 146.209 49.657 10.752 1.00 0.00 H ATOM 179 HE21 GLN A 18 145.560 49.429 12.416 1.00 0.00 H ATOM 180 H GLN A 18 145.861 55.896 9.959 1.00 0.00 H ATOM 181 N LEU A 19 144.025 53.489 7.241 1.00 18.79 N ATOM 182 CA LEU A 19 142.765 53.623 6.530 1.00 26.39 C ATOM 183 C LEU A 19 141.684 52.818 7.238 1.00 32.95 C ATOM 184 O LEU A 19 141.946 51.738 7.770 1.00 29.46 O ATOM 185 CB LEU A 19 142.894 53.154 5.081 1.00 29.44 C ATOM 186 CG LEU A 19 143.854 53.932 4.179 1.00 30.35 C ATOM 187 CD1 LEU A 19 143.753 53.407 2.759 1.00 30.27 C ATOM 188 CD2 LEU A 19 143.574 55.430 4.219 1.00 30.57 C ATOM 189 H LEU A 19 144.672 52.714 6.990 1.00 0.00 H ATOM 190 N LYS A 20 140.467 53.357 7.241 1.00 27.69 N ATOM 191 CA LYS A 20 139.320 52.691 7.840 1.00 26.08 C ATOM 192 C LYS A 20 138.062 53.114 7.103 1.00 25.61 C ATOM 193 O LYS A 20 138.044 54.117 6.384 1.00 25.71 O ATOM 194 CB LYS A 20 139.168 53.022 9.327 1.00 25.09 C ATOM 195 CG LYS A 20 140.213 52.417 10.226 1.00 31.23 C ATOM 196 CD LYS A 20 139.895 52.737 11.673 1.00 32.02 C ATOM 197 CE LYS A 20 141.020 52.317 12.587 1.00 33.06 C ATOM 198 NZ LYS A 20 140.655 51.163 13.449 1.00 39.58 N ATOM 199 HZ1 LYS A 20 139.840 51.419 14.042 1.00 0.00 H ATOM 200 HZ2 LYS A 20 140.408 50.349 12.850 1.00 0.00 H ATOM 201 HZ3 LYS A 20 141.463 50.916 14.056 1.00 0.00 H ATOM 202 H LYS A 20 140.331 54.288 6.799 1.00 0.00 H ATOM 203 N GLU A 21 137.008 52.333 7.295 1.00 22.33 N ATOM 204 CA GLU A 21 135.688 52.653 6.785 1.00 23.39 C ATOM 205 C GLU A 21 134.854 53.219 7.925 1.00 19.83 C ATOM 206 O GLU A 21 134.907 52.711 9.048 1.00 18.53 O ATOM 207 CB GLU A 21 135.021 51.407 6.202 1.00 25.30 C ATOM 208 CG GLU A 21 133.715 51.664 5.491 1.00 25.57 C ATOM 209 CD GLU A 21 133.361 50.558 4.517 1.00 36.81 C ATOM 210 OE1 GLU A 21 133.689 50.682 3.318 1.00 37.38 O ATOM 211 OE2 GLU A 21 132.761 49.557 4.958 1.00 39.06 O ATOM 212 H GLU A 21 137.133 51.453 7.835 1.00 0.00 H ATOM 213 N ALA A 22 134.093 54.276 7.633 1.00 23.26 N ATOM 214 CA ALA A 22 133.276 54.945 8.637 1.00 17.81 C ATOM 215 C ALA A 22 131.956 55.394 8.025 1.00 18.22 C ATOM 216 O ALA A 22 131.846 55.624 6.817 1.00 17.11 O ATOM 217 CB ALA A 22 134.005 56.147 9.252 1.00 18.20 C ATOM 218 H ALA A 22 134.083 54.634 6.657 1.00 0.00 H ATOM 219 N LEU A 23 130.953 55.528 8.889 1.00 15.82 N ATOM 220 CA LEU A 23 129.604 55.912 8.496 1.00 16.62 C ATOM 221 C LEU A 23 129.428 57.404 8.723 1.00 13.36 C ATOM 222 O LEU A 23 129.690 57.897 9.826 1.00 15.29 O ATOM 223 CB LEU A 23 128.568 55.135 9.314 1.00 19.29 C ATOM 224 CG LEU A 23 127.079 55.319 9.004 1.00 19.32 C ATOM 225 CD1 LEU A 23 126.708 54.704 7.673 1.00 21.45 C ATOM 226 CD2 LEU A 23 126.230 54.691 10.115 1.00 23.27 C ATOM 227 H LEU A 23 131.142 55.350 9.896 1.00 0.00 H ATOM 228 N LEU A 24 128.995 58.120 7.684 1.00 14.44 N ATOM 229 CA LEU A 24 128.624 59.521 7.836 1.00 12.90 C ATOM 230 C LEU A 24 127.259 59.570 8.506 1.00 14.52 C ATOM 231 O LEU A 24 126.259 59.119 7.930 1.00 15.03 O ATOM 232 CB LEU A 24 128.602 60.238 6.489 1.00 16.00 C ATOM 233 CG LEU A 24 129.880 60.132 5.651 1.00 14.01 C ATOM 234 CD1 LEU A 24 129.710 60.877 4.330 1.00 20.24 C ATOM 235 CD2 LEU A 24 131.084 60.643 6.416 1.00 17.06 C ATOM 236 H LEU A 24 128.921 57.670 6.749 1.00 0.00 H ATOM 237 N ASP A 25 127.219 60.120 9.718 1.00 9.61 N ATOM 238 CA ASP A 25 126.107 59.926 10.652 1.00 12.05 C ATOM 239 C ASP A 25 125.591 61.284 11.142 1.00 9.98 C ATOM 240 O ASP A 25 126.059 61.815 12.150 1.00 11.15 O ATOM 241 CB ASP A 25 126.586 59.040 11.795 1.00 13.59 C ATOM 242 CG ASP A 25 125.473 58.631 12.734 1.00 9.55 C ATOM 243 OD1 ASP A 25 124.346 59.145 12.580 1.00 11.89 O ATOM 244 OD2 ASP A 25 125.743 57.800 13.624 1.00 11.64 O ATOM 245 H ASP A 25 128.017 60.717 10.016 1.00 0.00 H ATOM 246 N THR A 26 124.599 61.845 10.443 1.00 12.35 N ATOM 247 CA THR A 26 124.125 63.173 10.821 1.00 12.34 C ATOM 248 C THR A 26 123.418 63.178 12.172 1.00 10.40 C ATOM 249 O THR A 26 123.273 64.249 12.770 1.00 9.98 O ATOM 250 CB THR A 26 123.199 63.757 9.743 1.00 13.33 C ATOM 251 OG1 THR A 26 122.105 62.865 9.464 1.00 10.02 O ATOM 252 CG2 THR A 26 123.972 64.040 8.461 1.00 12.86 C ATOM 253 HG1 THR A 26 121.579 62.721 10.290 1.00 0.00 H ATOM 254 H THR A 26 124.170 61.342 9.640 1.00 0.00 H ATOM 255 N GLY A 27 122.996 62.017 12.675 1.00 10.38 N ATOM 256 CA GLY A 27 122.410 61.906 13.995 1.00 14.03 C ATOM 257 C GLY A 27 123.397 61.722 15.124 1.00 14.85 C ATOM 258 O GLY A 27 122.991 61.539 16.278 1.00 12.35 O ATOM 259 H GLY A 27 123.091 61.158 12.097 1.00 0.00 H ATOM 260 N ALA A 28 124.692 61.739 14.829 1.00 9.70 N ATOM 261 CA ALA A 28 125.728 61.714 15.847 1.00 12.69 C ATOM 262 C ALA A 28 126.280 63.126 16.013 1.00 14.54 C ATOM 263 O ALA A 28 126.725 63.735 15.033 1.00 13.97 O ATOM 264 CB ALA A 28 126.834 60.736 15.449 1.00 13.20 C ATOM 265 H ALA A 28 124.976 61.772 13.829 1.00 0.00 H ATOM 266 N ASP A 29 126.230 63.652 17.247 1.00 15.22 N ATOM 267 CA ASP A 29 126.924 64.905 17.546 1.00 14.66 C ATOM 268 C ASP A 29 128.432 64.731 17.427 1.00 16.38 C ATOM 269 O ASP A 29 129.147 65.648 16.998 1.00 14.61 O ATOM 270 CB ASP A 29 126.609 65.391 18.964 1.00 11.22 C ATOM 271 CG ASP A 29 125.129 65.589 19.230 1.00 18.65 C ATOM 272 OD1 ASP A 29 124.338 65.762 18.286 1.00 18.57 O ATOM 273 OD2 ASP A 29 124.762 65.585 20.423 1.00 19.39 O ATOM 274 H ASP A 29 125.695 63.166 17.995 1.00 0.00 H ATOM 275 N ASP A 30 128.929 63.567 17.821 1.00 15.28 N ATOM 276 CA ASP A 30 130.349 63.318 17.967 1.00 14.70 C ATOM 277 C ASP A 30 130.761 62.150 17.085 1.00 15.59 C ATOM 278 O ASP A 30 129.933 61.360 16.619 1.00 14.92 O ATOM 279 CB ASP A 30 130.701 63.019 19.431 1.00 20.07 C ATOM 280 CG ASP A 30 130.201 64.086 20.382 1.00 21.81 C ATOM 281 OD1 ASP A 30 130.491 65.279 20.153 1.00 25.85 O ATOM 282 OD2 ASP A 30 129.501 63.728 21.352 1.00 29.81 O ATOM 283 H ASP A 30 128.267 62.794 18.036 1.00 0.00 H ATOM 284 N THR A 31 132.068 62.056 16.875 1.00 12.99 N ATOM 285 CA THR A 31 132.680 61.005 16.079 1.00 14.13 C ATOM 286 C THR A 31 133.203 59.935 17.028 1.00 17.30 C ATOM 287 O THR A 31 133.953 60.240 17.963 1.00 17.60 O ATOM 288 CB THR A 31 133.805 61.584 15.214 1.00 17.40 C ATOM 289 OG1 THR A 31 133.241 62.460 14.237 1.00 16.55 O ATOM 290 CG2 THR A 31 134.599 60.497 14.509 1.00 17.65 C ATOM 291 HG1 THR A 31 132.759 63.195 14.693 1.00 0.00 H ATOM 292 H THR A 31 132.688 62.773 17.303 1.00 0.00 H ATOM 293 N VAL A 32 132.778 58.695 16.807 1.00 18.95 N ATOM 294 CA VAL A 32 133.116 57.574 17.676 1.00 14.02 C ATOM 295 C VAL A 32 133.660 56.463 16.797 1.00 13.21 C ATOM 296 O VAL A 32 132.990 56.034 15.851 1.00 14.55 O ATOM 297 CB VAL A 32 131.905 57.072 18.482 1.00 16.03 C ATOM 298 CG1 VAL A 32 132.361 56.143 19.601 1.00 14.35 C ATOM 299 CG2 VAL A 32 131.099 58.246 19.035 1.00 18.05 C ATOM 300 H VAL A 32 132.177 58.516 15.977 1.00 0.00 H ATOM 301 N LEU A 33 134.862 55.998 17.104 1.00 14.08 N ATOM 302 CA LEU A 33 135.496 54.935 16.345 1.00 14.28 C ATOM 303 C LEU A 33 135.697 53.714 17.227 1.00 17.00 C ATOM 304 O LEU A 33 135.854 53.825 18.447 1.00 17.43 O ATOM 305 CB LEU A 33 136.835 55.392 15.780 1.00 16.14 C ATOM 306 CG LEU A 33 136.759 56.633 14.911 1.00 20.28 C ATOM 307 CD1 LEU A 33 138.167 57.049 14.517 1.00 31.92 C ATOM 308 CD2 LEU A 33 135.899 56.393 13.679 1.00 16.88 C ATOM 309 H LEU A 33 135.368 56.408 17.915 1.00 0.00 H ATOM 310 N GLU A 34 135.663 52.547 16.595 1.00 19.02 N ATOM 311 CA GLU A 34 135.891 51.301 17.303 1.00 18.67 C ATOM 312 C GLU A 34 137.289 51.296 17.912 1.00 22.17 C ATOM 313 O GLU A 34 138.139 52.127 17.590 1.00 21.23 O ATOM 314 CB GLU A 34 135.710 50.111 16.357 1.00 22.08 C ATOM 315 CG GLU A 34 134.276 49.925 15.876 1.00 18.79 C ATOM 316 CD GLU A 34 134.091 48.667 15.034 1.00 24.25 C ATOM 317 OE1 GLU A 34 134.536 48.653 13.868 1.00 26.49 O ATOM 318 OE2 GLU A 34 133.511 47.685 15.548 1.00 31.27 O ATOM 319 H GLU A 34 135.469 52.525 15.573 1.00 0.00 H ATOM 320 N GLU A 35 137.509 50.355 18.827 1.00 20.10 N ATOM 321 CA GLU A 35 138.777 50.264 19.540 1.00 20.04 C ATOM 322 C GLU A 35 139.950 50.292 18.569 1.00 18.36 C ATOM 323 O GLU A 35 139.949 49.595 17.553 1.00 21.31 O ATOM 324 CB GLU A 35 138.815 48.980 20.373 1.00 35.53 C ATOM 325 CG GLU A 35 140.132 48.745 21.094 1.00 42.71 C ATOM 326 CD GLU A 35 140.425 49.813 22.122 1.00 46.48 C ATOM 327 OE1 GLU A 35 139.465 50.323 22.742 1.00 52.38 O ATOM 328 OE2 GLU A 35 141.613 50.152 22.305 1.00 46.97 O ATOM 329 H GLU A 35 136.758 49.668 19.038 1.00 0.00 H ATOM 330 N MET A 36 140.948 51.110 18.891 1.00 27.78 N ATOM 331 CA MET A 36 142.147 51.247 18.074 1.00 32.37 C ATOM 332 C MET A 36 143.214 51.954 18.898 1.00 33.86 C ATOM 333 O MET A 36 142.919 52.586 19.918 1.00 30.50 O ATOM 334 CB MET A 36 141.867 52.031 16.787 1.00 30.10 C ATOM 335 CG MET A 36 141.488 53.503 17.027 1.00 32.34 C ATOM 336 SD MET A 36 141.372 54.517 15.538 1.00 35.66 S ATOM 337 CE MET A 36 142.963 54.212 14.774 1.00 41.01 C ATOM 338 H MET A 36 140.870 51.675 19.761 1.00 0.00 H ATOM 339 N ASN A 37 144.458 51.852 18.435 1.00 37.58 N ATOM 340 CA ASN A 37 145.570 52.573 19.042 1.00 41.12 C ATOM 341 C ASN A 37 145.736 53.926 18.357 1.00 42.20 C ATOM 342 O ASN A 37 145.858 53.999 17.128 1.00 31.44 O ATOM 343 CB ASN A 37 146.864 51.762 18.939 1.00 44.32 C ATOM 344 H ASN A 37 144.642 51.239 17.615 1.00 0.00 H ATOM 345 N LEU A 38 145.725 54.996 19.151 1.00 39.61 N ATOM 346 CA LEU A 38 145.914 56.340 18.629 1.00 47.28 C ATOM 347 C LEU A 38 147.030 57.026 19.411 1.00 41.11 C ATOM 348 O LEU A 38 147.001 57.027 20.654 1.00 41.21 O ATOM 349 CB LEU A 38 144.633 57.181 18.724 1.00 43.77 C ATOM 350 CG LEU A 38 143.804 57.417 17.461 1.00 45.82 C ATOM 351 CD1 LEU A 38 142.672 58.385 17.780 1.00 37.91 C ATOM 352 CD2 LEU A 38 144.639 57.954 16.309 1.00 40.26 C ATOM 353 H LEU A 38 145.577 54.866 20.172 1.00 0.00 H ATOM 354 N PRO A 39 148.012 57.624 18.738 1.00 48.80 N ATOM 355 CA PRO A 39 149.011 58.416 19.465 1.00 47.30 C ATOM 356 C PRO A 39 148.421 59.759 19.871 1.00 52.67 C ATOM 357 O PRO A 39 147.789 60.447 19.064 1.00 41.80 O ATOM 358 CB PRO A 39 150.145 58.578 18.448 1.00 51.68 C ATOM 359 CG PRO A 39 149.460 58.538 17.124 1.00 47.06 C ATOM 360 CD PRO A 39 148.254 57.640 17.282 1.00 49.34 C ATOM 361 N GLY A 40 148.617 60.116 21.126 1.00 53.45 N ATOM 362 CA GLY A 40 148.100 61.352 21.680 1.00 58.80 C ATOM 363 C GLY A 40 147.537 61.097 23.062 1.00 59.89 C ATOM 364 O GLY A 40 147.140 59.986 23.412 1.00 57.34 O ATOM 365 H GLY A 40 149.165 59.484 21.744 1.00 0.00 H ATOM 366 N ARG A 41 147.521 62.149 23.874 1.00 56.74 N ATOM 367 CA ARG A 41 146.888 62.058 25.180 1.00 55.01 C ATOM 368 C ARG A 41 145.386 61.873 25.004 1.00 52.58 C ATOM 369 O ARG A 41 144.784 62.416 24.073 1.00 50.73 O ATOM 370 CB ARG A 41 147.176 63.313 26.004 1.00 44.17 C ATOM 371 H ARG A 41 147.963 63.041 23.574 1.00 0.00 H ATOM 372 N TRP A 42 144.784 61.082 25.890 1.00 48.48 N ATOM 373 CA TRP A 42 143.347 60.867 25.871 1.00 40.62 C ATOM 374 C TRP A 42 142.792 61.022 27.277 1.00 44.58 C ATOM 375 O TRP A 42 143.503 60.864 28.273 1.00 45.15 O ATOM 376 CB TRP A 42 142.974 59.485 25.310 1.00 42.71 C ATOM 377 CG TRP A 42 143.529 58.320 26.079 1.00 42.41 C ATOM 378 CD1 TRP A 42 144.687 57.643 25.819 1.00 36.22 C ATOM 379 CD2 TRP A 42 142.945 57.688 27.224 1.00 43.05 C ATOM 380 NE1 TRP A 42 144.861 56.634 26.733 1.00 42.97 N ATOM 381 CE2 TRP A 42 143.806 56.639 27.607 1.00 47.44 C ATOM 382 CE3 TRP A 42 141.778 57.907 27.964 1.00 37.79 C ATOM 383 CZ2 TRP A 42 143.539 55.812 28.697 1.00 44.26 C ATOM 384 CZ3 TRP A 42 141.514 57.083 29.048 1.00 36.73 C ATOM 385 CH2 TRP A 42 142.391 56.049 29.404 1.00 39.90 C ATOM 386 HE1 TRP A 42 145.663 55.973 26.758 1.00 0.00 H ATOM 387 H TRP A 42 145.358 60.605 26.615 1.00 0.00 H ATOM 388 N LYS A 43 141.504 61.350 27.337 1.00 37.21 N ATOM 389 CA LYS A 43 140.776 61.474 28.583 1.00 31.41 C ATOM 390 C LYS A 43 139.557 60.559 28.565 1.00 32.79 C ATOM 391 O LYS A 43 138.863 60.480 27.547 1.00 33.39 O ATOM 392 CB LYS A 43 140.326 62.923 28.809 1.00 31.42 C ATOM 393 H LYS A 43 140.996 61.526 26.447 1.00 0.00 H ATOM 394 N PRO A 44 139.262 59.863 29.660 1.00 36.86 N ATOM 395 CA PRO A 44 138.073 59.005 29.670 1.00 37.77 C ATOM 396 C PRO A 44 136.810 59.844 29.734 1.00 38.05 C ATOM 397 O PRO A 44 136.745 60.848 30.448 1.00 34.52 O ATOM 398 CB PRO A 44 138.252 58.157 30.932 1.00 37.67 C ATOM 399 CG PRO A 44 139.113 58.985 31.829 1.00 33.95 C ATOM 400 CD PRO A 44 139.935 59.897 30.971 1.00 33.48 C ATOM 401 N LYS A 45 135.807 59.430 28.963 1.00 23.61 N ATOM 402 CA LYS A 45 134.533 60.133 28.906 1.00 28.47 C ATOM 403 C LYS A 45 133.412 59.116 28.758 1.00 28.64 C ATOM 404 O LYS A 45 133.644 57.937 28.477 1.00 25.88 O ATOM 405 CB LYS A 45 134.497 61.137 27.749 1.00 28.56 C ATOM 406 H LYS A 45 135.937 58.577 28.383 1.00 0.00 H ATOM 407 N MET A 46 132.186 59.590 28.963 1.00 21.32 N ATOM 408 CA MET A 46 130.975 58.807 28.759 1.00 25.49 C ATOM 409 C MET A 46 130.183 59.425 27.616 1.00 32.55 C ATOM 410 O MET A 46 130.059 60.651 27.540 1.00 29.84 O ATOM 411 CB MET A 46 130.112 58.791 30.024 1.00 24.85 C ATOM 412 CG MET A 46 130.839 58.336 31.279 1.00 35.45 C ATOM 413 SD MET A 46 131.302 56.603 31.211 1.00 39.56 S ATOM 414 CE MET A 46 129.686 55.840 31.142 1.00 29.34 C ATOM 415 H MET A 46 132.087 60.573 29.287 1.00 0.00 H ATOM 416 N ILE A 47 129.647 58.583 26.731 1.00 24.93 N ATOM 417 CA ILE A 47 128.772 59.039 25.654 1.00 28.28 C ATOM 418 C ILE A 47 127.576 58.101 25.562 1.00 26.85 C ATOM 419 O ILE A 47 127.717 56.884 25.720 1.00 25.59 O ATOM 420 CB ILE A 47 129.517 59.129 24.302 1.00 26.69 C ATOM 421 CG1 ILE A 47 128.615 59.778 23.249 1.00 32.78 C ATOM 422 CG2 ILE A 47 129.979 57.749 23.818 1.00 24.79 C ATOM 423 CD1 ILE A 47 129.374 60.534 22.176 1.00 38.13 C ATOM 424 H ILE A 47 129.859 57.568 26.811 1.00 0.00 H ATOM 425 N GLY A 48 126.400 58.672 25.320 1.00 21.65 N ATOM 426 CA GLY A 48 125.143 57.936 25.340 1.00 27.32 C ATOM 427 C GLY A 48 124.526 57.811 23.957 1.00 27.19 C ATOM 428 O GLY A 48 124.463 58.786 23.203 1.00 30.36 O ATOM 429 H GLY A 48 126.376 59.690 25.107 1.00 0.00 H ATOM 430 N GLY A 49 124.064 56.604 23.642 1.00 19.90 N ATOM 431 CA GLY A 49 123.381 56.337 22.392 1.00 19.98 C ATOM 432 C GLY A 49 121.952 55.866 22.595 1.00 30.06 C ATOM 433 O GLY A 49 121.343 56.132 23.638 1.00 21.19 O ATOM 434 H GLY A 49 124.198 55.824 24.317 1.00 0.00 H ATOM 435 N ILE A 50 121.408 55.155 21.603 1.00 18.78 N ATOM 436 CA ILE A 50 120.019 54.717 21.671 1.00 18.08 C ATOM 437 C ILE A 50 119.820 53.713 22.798 1.00 25.75 C ATOM 438 O ILE A 50 118.735 53.636 23.391 1.00 22.58 O ATOM 439 CB ILE A 50 119.577 54.129 20.316 1.00 22.27 C ATOM 440 CG1 ILE A 50 118.053 54.015 20.269 1.00 27.72 C ATOM 441 CG2 ILE A 50 120.209 52.756 20.077 1.00 19.70 C ATOM 442 CD1 ILE A 50 117.488 53.835 18.877 1.00 27.07 C ATOM 443 H ILE A 50 121.983 54.911 20.771 1.00 0.00 H ATOM 444 N GLY A 51 120.848 52.924 23.106 1.00 19.49 N ATOM 445 CA GLY A 51 120.733 51.866 24.087 1.00 21.36 C ATOM 446 C GLY A 51 121.360 52.141 25.431 1.00 22.92 C ATOM 447 O GLY A 51 121.376 51.238 26.280 1.00 26.19 O ATOM 448 H GLY A 51 121.760 53.072 22.628 1.00 0.00 H ATOM 449 N GLY A 52 121.870 53.350 25.673 1.00 19.59 N ATOM 450 CA GLY A 52 122.508 53.686 26.926 1.00 26.96 C ATOM 451 C GLY A 52 123.849 54.339 26.697 1.00 22.43 C ATOM 452 O GLY A 52 124.109 54.908 25.633 1.00 19.79 O ATOM 453 H GLY A 52 121.806 54.078 24.933 1.00 0.00 H ATOM 454 N PHE A 53 124.715 54.236 27.705 1.00 22.65 N ATOM 455 CA PHE A 53 125.991 54.936 27.734 1.00 20.33 C ATOM 456 C PHE A 53 127.147 53.955 27.697 1.00 21.91 C ATOM 457 O PHE A 53 127.078 52.879 28.297 1.00 23.26 O ATOM 458 CB PHE A 53 126.091 55.798 28.984 1.00 21.69 C ATOM 459 CG PHE A 53 125.179 56.975 28.960 1.00 26.99 C ATOM 460 CD1 PHE A 53 123.812 56.809 29.110 1.00 28.55 C ATOM 461 CD2 PHE A 53 125.679 58.246 28.769 1.00 26.72 C ATOM 462 CE1 PHE A 53 122.962 57.893 29.077 1.00 32.15 C ATOM 463 CE2 PHE A 53 124.826 59.339 28.736 1.00 25.59 C ATOM 464 CZ PHE A 53 123.471 59.160 28.891 1.00 30.74 C ATOM 465 H PHE A 53 124.467 53.626 28.510 1.00 0.00 H ATOM 466 N ILE A 54 128.208 54.336 26.989 1.00 22.94 N ATOM 467 CA ILE A 54 129.423 53.541 26.904 1.00 26.24 C ATOM 468 C ILE A 54 130.594 54.391 27.377 1.00 27.37 C ATOM 469 O ILE A 54 130.499 55.612 27.515 1.00 23.06 O ATOM 470 CB ILE A 54 129.685 52.997 25.481 1.00 24.10 C ATOM 471 CG1 ILE A 54 129.862 54.135 24.468 1.00 20.53 C ATOM 472 CG2 ILE A 54 128.560 52.058 25.056 1.00 16.86 C ATOM 473 CD1 ILE A 54 130.339 53.663 23.094 1.00 22.64 C ATOM 474 H ILE A 54 128.166 55.239 26.475 1.00 0.00 H ATOM 475 N LYS A 55 131.716 53.719 27.598 1.00 27.77 N ATOM 476 CA LYS A 55 132.948 54.348 28.039 1.00 28.81 C ATOM 477 C LYS A 55 133.863 54.507 26.837 1.00 21.11 C ATOM 478 O LYS A 55 134.139 53.533 26.131 1.00 30.03 O ATOM 479 CB LYS A 55 133.623 53.505 29.119 1.00 33.58 C ATOM 480 CG LYS A 55 133.343 53.965 30.528 1.00 42.51 C ATOM 481 CD LYS A 55 133.936 52.997 31.536 1.00 50.81 C ATOM 482 CE LYS A 55 135.457 53.021 31.498 1.00 51.68 C ATOM 483 NZ LYS A 55 136.041 52.079 32.484 1.00 60.80 N ATOM 484 HZ1 LYS A 55 135.731 52.344 33.441 1.00 0.00 H ATOM 485 HZ2 LYS A 55 135.721 51.113 32.270 1.00 0.00 H ATOM 486 HZ3 LYS A 55 137.079 52.122 32.430 1.00 0.00 H ATOM 487 H LYS A 55 131.713 52.690 27.448 1.00 0.00 H ATOM 488 N VAL A 56 134.330 55.730 26.606 1.00 19.55 N ATOM 489 CA VAL A 56 135.190 56.025 25.472 1.00 23.17 C ATOM 490 C VAL A 56 136.416 56.786 25.957 1.00 24.06 C ATOM 491 O VAL A 56 136.447 57.335 27.059 1.00 23.47 O ATOM 492 CB VAL A 56 134.452 56.825 24.377 1.00 27.57 C ATOM 493 CG1 VAL A 56 133.238 56.040 23.886 1.00 19.43 C ATOM 494 CG2 VAL A 56 134.025 58.194 24.900 1.00 24.69 C ATOM 495 H VAL A 56 134.072 56.499 27.257 1.00 0.00 H ATOM 496 N ARG A 57 137.441 56.792 25.117 1.00 26.45 N ATOM 497 CA ARG A 57 138.616 57.622 25.312 1.00 28.50 C ATOM 498 C ARG A 57 138.521 58.810 24.365 1.00 27.84 C ATOM 499 O ARG A 57 138.359 58.631 23.154 1.00 28.15 O ATOM 500 CB ARG A 57 139.892 56.823 25.050 1.00 28.67 C ATOM 501 CG ARG A 57 139.877 55.448 25.709 1.00 36.98 C ATOM 502 CD ARG A 57 141.237 54.772 25.660 1.00 40.51 C ATOM 503 NE ARG A 57 141.769 54.691 24.303 1.00 41.08 N ATOM 504 CZ ARG A 57 141.605 53.657 23.481 1.00 50.54 C ATOM 505 NH1 ARG A 57 140.918 52.589 23.865 1.00 49.03 N ATOM 506 NH2 ARG A 57 142.134 53.691 22.264 1.00 50.80 N ATOM 507 HE ARG A 57 142.317 55.502 23.952 1.00 0.00 H ATOM 508 HH12 ARG A 57 140.797 51.787 23.214 1.00 0.00 H ATOM 509 HH11 ARG A 57 140.501 52.554 24.817 1.00 0.00 H ATOM 510 HH22 ARG A 57 142.008 52.885 21.619 1.00 0.00 H ATOM 511 HH21 ARG A 57 142.675 54.524 21.955 1.00 0.00 H ATOM 512 H ARG A 57 137.402 56.175 24.281 1.00 0.00 H ATOM 513 N GLN A 58 138.598 60.014 24.917 1.00 23.07 N ATOM 514 CA GLN A 58 138.494 61.227 24.120 1.00 22.47 C ATOM 515 C GLN A 58 139.886 61.681 23.701 1.00 27.00 C ATOM 516 O GLN A 58 140.725 61.987 24.556 1.00 27.54 O ATOM 517 CB GLN A 58 137.791 62.330 24.904 1.00 21.30 C ATOM 518 CG GLN A 58 137.684 63.646 24.146 1.00 24.47 C ATOM 519 CD GLN A 58 136.796 64.642 24.854 1.00 25.25 C ATOM 520 OE1 GLN A 58 135.977 64.265 25.683 1.00 31.33 O ATOM 521 NE2 GLN A 58 136.954 65.924 24.530 1.00 26.75 N ATOM 522 HE22 GLN A 58 137.663 66.197 23.820 1.00 0.00 H ATOM 523 HE21 GLN A 58 136.369 66.652 24.987 1.00 0.00 H ATOM 524 H GLN A 58 138.736 60.093 25.945 1.00 0.00 H ATOM 525 N TYR A 59 140.124 61.713 22.393 1.00 25.22 N ATOM 526 CA TYR A 59 141.312 62.317 21.806 1.00 28.79 C ATOM 527 C TYR A 59 140.912 63.639 21.169 1.00 28.41 C ATOM 528 O TYR A 59 139.946 63.694 20.404 1.00 28.08 O ATOM 529 CB TYR A 59 141.939 61.409 20.746 1.00 27.62 C ATOM 530 CG TYR A 59 142.444 60.087 21.265 1.00 34.16 C ATOM 531 CD1 TYR A 59 141.584 59.007 21.420 1.00 35.29 C ATOM 532 CD2 TYR A 59 143.785 59.912 21.586 1.00 39.91 C ATOM 533 CE1 TYR A 59 142.042 57.793 21.891 1.00 35.61 C ATOM 534 CE2 TYR A 59 144.255 58.699 22.054 1.00 39.98 C ATOM 535 CZ TYR A 59 143.379 57.643 22.206 1.00 41.10 C ATOM 536 OH TYR A 59 143.840 56.436 22.673 1.00 39.20 O ATOM 537 HH TYR A 59 143.088 55.793 22.722 1.00 0.00 H ATOM 538 H TYR A 59 139.424 61.284 21.755 1.00 0.00 H ATOM 539 N ASP A 60 141.654 64.694 21.473 1.00 33.77 N ATOM 540 CA ASP A 60 141.372 66.012 20.933 1.00 26.80 C ATOM 541 C ASP A 60 142.382 66.377 19.852 1.00 32.75 C ATOM 542 O ASP A 60 143.503 65.864 19.810 1.00 27.45 O ATOM 543 CB ASP A 60 141.391 67.058 22.049 1.00 25.64 C ATOM 544 CG ASP A 60 140.202 66.939 22.980 1.00 31.60 C ATOM 545 OD1 ASP A 60 139.068 66.743 22.488 1.00 27.65 O ATOM 546 OD2 ASP A 60 140.401 67.032 24.207 1.00 38.50 O ATOM 547 H ASP A 60 142.462 64.574 22.117 1.00 0.00 H ATOM 548 N GLN A 61 141.956 67.273 18.962 1.00 30.15 N ATOM 549 CA GLN A 61 142.816 67.832 17.922 1.00 24.17 C ATOM 550 C GLN A 61 143.538 66.734 17.140 1.00 33.07 C ATOM 551 O GLN A 61 144.743 66.803 16.882 1.00 26.64 O ATOM 552 CB GLN A 61 143.812 68.824 18.529 1.00 33.91 C ATOM 553 CG GLN A 61 143.570 70.259 18.099 1.00 30.28 C ATOM 554 CD GLN A 61 144.458 71.240 18.829 1.00 30.80 C ATOM 555 OE1 GLN A 61 144.101 71.735 19.897 1.00 31.65 O ATOM 556 NE2 GLN A 61 145.624 71.527 18.259 1.00 28.37 N ATOM 557 HE22 GLN A 61 145.884 71.084 17.355 1.00 0.00 H ATOM 558 HE21 GLN A 61 146.276 72.195 18.717 1.00 0.00 H ATOM 559 H GLN A 61 140.966 67.589 19.010 1.00 0.00 H ATOM 560 N ILE A 62 142.778 65.716 16.745 1.00 24.07 N ATOM 561 CA ILE A 62 143.302 64.605 15.958 1.00 24.48 C ATOM 562 C ILE A 62 143.113 64.923 14.485 1.00 24.34 C ATOM 563 O ILE A 62 142.038 65.373 14.073 1.00 23.18 O ATOM 564 CB ILE A 62 142.593 63.287 16.324 1.00 28.99 C ATOM 565 CG1 ILE A 62 142.877 62.898 17.778 1.00 29.64 C ATOM 566 CG2 ILE A 62 143.000 62.163 15.374 1.00 25.15 C ATOM 567 CD1 ILE A 62 144.334 62.558 18.069 1.00 36.94 C ATOM 568 H ILE A 62 141.772 65.712 17.007 1.00 0.00 H ATOM 569 N LEU A 63 144.121 64.627 13.680 1.00 19.58 N ATOM 570 CA LEU A 63 144.012 64.817 12.243 1.00 22.50 C ATOM 571 C LEU A 63 143.272 63.603 11.693 1.00 26.38 C ATOM 572 O LEU A 63 143.563 62.483 12.067 1.00 26.71 O ATOM 573 CB LEU A 63 145.387 64.937 11.593 1.00 30.00 C ATOM 574 H LEU A 63 145.004 64.253 14.082 1.00 0.00 H ATOM 575 N ILE A 64 142.327 63.836 10.795 1.00 23.73 N ATOM 576 CA ILE A 64 141.531 62.769 10.204 1.00 23.35 C ATOM 577 C ILE A 64 141.020 63.231 8.848 1.00 24.60 C ATOM 578 O ILE A 64 140.384 64.286 8.732 1.00 24.84 O ATOM 579 CB ILE A 64 140.378 62.363 11.143 1.00 27.85 C ATOM 580 CG1 ILE A 64 139.475 61.322 10.487 1.00 27.52 C ATOM 581 CG2 ILE A 64 139.567 63.588 11.554 1.00 28.66 C ATOM 582 CD1 ILE A 64 138.460 60.727 11.449 1.00 26.67 C ATOM 583 H ILE A 64 142.147 64.817 10.501 1.00 0.00 H ATOM 584 N GLU A 65 141.307 62.452 7.813 1.00 25.97 N ATOM 585 CA GLU A 65 140.881 62.760 6.456 1.00 26.34 C ATOM 586 C GLU A 65 139.698 61.871 6.097 1.00 28.64 C ATOM 587 O GLU A 65 139.794 60.640 6.171 1.00 27.45 O ATOM 588 CB GLU A 65 142.028 62.561 5.466 1.00 29.11 C ATOM 589 CG GLU A 65 141.732 63.098 4.075 1.00 30.43 C ATOM 590 CD GLU A 65 142.948 63.070 3.169 1.00 43.96 C ATOM 591 OE1 GLU A 65 144.001 62.556 3.604 1.00 40.20 O ATOM 592 OE2 GLU A 65 142.850 63.563 2.025 1.00 39.03 O ATOM 593 H GLU A 65 141.859 61.586 7.978 1.00 0.00 H ATOM 594 N ILE A 66 138.590 62.495 5.712 1.00 25.40 N ATOM 595 CA ILE A 66 137.339 61.802 5.425 1.00 19.67 C ATOM 596 C ILE A 66 137.057 61.982 3.944 1.00 20.46 C ATOM 597 O ILE A 66 136.768 63.094 3.492 1.00 22.42 O ATOM 598 CB ILE A 66 136.180 62.344 6.275 1.00 23.78 C ATOM 599 CG1 ILE A 66 136.477 62.175 7.767 1.00 25.38 C ATOM 600 CG2 ILE A 66 134.866 61.655 5.909 1.00 20.15 C ATOM 601 CD1 ILE A 66 135.940 63.306 8.629 1.00 24.60 C ATOM 602 H ILE A 66 138.616 63.530 5.610 1.00 0.00 H ATOM 603 N CYS A 67 137.144 60.895 3.181 1.00 25.62 N ATOM 604 CA CYS A 67 136.803 60.928 1.761 1.00 29.58 C ATOM 605 C CYS A 67 137.584 62.021 1.035 1.00 29.01 C ATOM 606 O CYS A 67 137.060 62.711 0.158 1.00 35.72 O ATOM 607 CB CYS A 67 135.298 61.131 1.571 1.00 28.78 C ATOM 608 SG CYS A 67 134.644 60.459 0.040 1.00 43.82 S ATOM 609 H CYS A 67 137.462 60.001 3.606 1.00 0.00 H ATOM 610 N GLY A 68 138.847 62.191 1.418 1.00 20.97 N ATOM 611 CA GLY A 68 139.704 63.168 0.785 1.00 29.54 C ATOM 612 C GLY A 68 139.616 64.572 1.344 1.00 32.75 C ATOM 613 O GLY A 68 140.268 65.473 0.801 1.00 37.16 O ATOM 614 H GLY A 68 139.226 61.607 2.191 1.00 0.00 H ATOM 615 N HIS A 69 138.832 64.793 2.397 1.00 27.48 N ATOM 616 CA HIS A 69 138.703 66.102 3.027 1.00 23.67 C ATOM 617 C HIS A 69 139.271 66.036 4.437 1.00 27.98 C ATOM 618 O HIS A 69 138.904 65.152 5.220 1.00 26.02 O ATOM 619 CB HIS A 69 137.240 66.559 3.055 1.00 26.15 C ATOM 620 CG HIS A 69 136.665 66.818 1.697 1.00 25.27 C ATOM 621 ND1 HIS A 69 136.299 68.077 1.272 1.00 26.02 N ATOM 622 CD2 HIS A 69 136.409 65.983 0.661 1.00 27.69 C ATOM 623 CE1 HIS A 69 135.834 68.007 0.037 1.00 23.57 C ATOM 624 NE2 HIS A 69 135.894 66.748 -0.359 1.00 23.74 N ATOM 625 H HIS A 69 138.288 63.997 2.787 1.00 0.00 H ATOM 626 N LYS A 70 140.152 66.977 4.757 1.00 24.23 N ATOM 627 CA LYS A 70 140.868 66.952 6.022 1.00 27.49 C ATOM 628 C LYS A 70 140.046 67.607 7.123 1.00 25.65 C ATOM 629 O LYS A 70 139.349 68.602 6.899 1.00 21.80 O ATOM 630 CB LYS A 70 142.218 67.664 5.883 1.00 22.69 C ATOM 631 H LYS A 70 140.334 67.751 4.086 1.00 0.00 H ATOM 632 N ALA A 71 140.138 67.036 8.319 1.00 21.98 N ATOM 633 CA ALA A 71 139.507 67.594 9.501 1.00 18.93 C ATOM 634 C ALA A 71 140.461 67.416 10.668 1.00 24.84 C ATOM 635 O ALA A 71 141.325 66.533 10.657 1.00 21.94 O ATOM 636 CB ALA A 71 138.151 66.926 9.788 1.00 19.79 C ATOM 637 H ALA A 71 140.683 66.155 8.412 1.00 0.00 H ATOM 638 N ILE A 72 140.320 68.282 11.668 1.00 18.11 N ATOM 639 CA ILE A 72 141.111 68.182 12.886 1.00 18.66 C ATOM 640 C ILE A 72 140.179 68.473 14.050 1.00 21.03 C ATOM 641 O ILE A 72 139.777 69.624 14.253 1.00 24.51 O ATOM 642 CB ILE A 72 142.313 69.139 12.908 1.00 21.71 C ATOM 643 CG1 ILE A 72 143.124 69.009 11.617 1.00 21.39 C ATOM 644 CG2 ILE A 72 143.174 68.838 14.131 1.00 22.48 C ATOM 645 CD1 ILE A 72 144.269 70.001 11.488 1.00 26.13 C ATOM 646 H ILE A 72 139.626 69.051 11.577 1.00 0.00 H ATOM 647 N GLY A 73 139.852 67.449 14.822 1.00 22.88 N ATOM 648 CA GLY A 73 138.890 67.633 15.884 1.00 23.53 C ATOM 649 C GLY A 73 138.873 66.453 16.824 1.00 24.51 C ATOM 650 O GLY A 73 139.774 65.613 16.823 1.00 23.98 O ATOM 651 H GLY A 73 140.285 66.517 14.665 1.00 0.00 H ATOM 652 N THR A 74 137.820 66.408 17.628 1.00 20.08 N ATOM 653 CA THR A 74 137.714 65.425 18.689 1.00 20.80 C ATOM 654 C THR A 74 137.258 64.083 18.130 1.00 24.50 C ATOM 655 O THR A 74 136.352 64.009 17.293 1.00 20.18 O ATOM 656 CB THR A 74 136.748 65.928 19.763 1.00 24.59 C ATOM 657 OG1 THR A 74 137.325 67.063 20.417 1.00 22.45 O ATOM 658 CG2 THR A 74 136.449 64.863 20.802 1.00 23.06 C ATOM 659 HG1 THR A 74 138.183 66.800 20.836 1.00 0.00 H ATOM 660 H THR A 74 137.051 67.095 17.495 1.00 0.00 H ATOM 661 N VAL A 75 137.913 63.019 18.587 1.00 24.69 N ATOM 662 CA VAL A 75 137.611 61.658 18.169 1.00 24.68 C ATOM 663 C VAL A 75 137.466 60.821 19.428 1.00 26.81 C ATOM 664 O VAL A 75 138.381 60.781 20.262 1.00 23.85 O ATOM 665 CB VAL A 75 138.701 61.082 17.251 1.00 26.35 C ATOM 666 CG1 VAL A 75 138.431 59.614 16.940 1.00 24.42 C ATOM 667 CG2 VAL A 75 138.791 61.899 15.965 1.00 24.70 C ATOM 668 H VAL A 75 138.678 63.167 19.276 1.00 0.00 H ATOM 669 N LEU A 76 136.318 60.173 19.575 1.00 18.19 N ATOM 670 CA LEU A 76 136.063 59.269 20.684 1.00 18.36 C ATOM 671 C LEU A 76 136.308 57.838 20.228 1.00 19.58 C ATOM 672 O LEU A 76 135.901 57.447 19.127 1.00 18.49 O ATOM 673 CB LEU A 76 134.628 59.425 21.191 1.00 21.48 C ATOM 674 CG LEU A 76 134.184 60.868 21.453 1.00 15.87 C ATOM 675 CD1 LEU A 76 132.716 60.935 21.874 1.00 18.13 C ATOM 676 CD2 LEU A 76 135.066 61.538 22.492 1.00 19.99 C ATOM 677 H LEU A 76 135.570 60.318 18.868 1.00 0.00 H ATOM 678 N VAL A 77 136.975 57.062 21.079 1.00 19.20 N ATOM 679 CA VAL A 77 137.346 55.685 20.778 1.00 20.03 C ATOM 680 C VAL A 77 136.754 54.795 21.857 1.00 17.39 C ATOM 681 O VAL A 77 136.951 55.045 23.052 1.00 19.62 O ATOM 682 CB VAL A 77 138.874 55.516 20.692 1.00 26.78 C ATOM 683 CG1 VAL A 77 139.243 54.061 20.419 1.00 23.38 C ATOM 684 CG2 VAL A 77 139.449 56.423 19.605 1.00 23.83 C ATOM 685 H VAL A 77 137.244 57.457 22.003 1.00 0.00 H ATOM 686 N GLY A 78 136.016 53.769 21.438 1.00 21.06 N ATOM 687 CA GLY A 78 135.320 52.912 22.367 1.00 20.38 C ATOM 688 C GLY A 78 134.405 51.929 21.667 1.00 18.04 C ATOM 689 O GLY A 78 134.384 51.838 20.436 1.00 15.62 O ATOM 690 H GLY A 78 135.939 53.581 20.418 1.00 0.00 H ATOM 691 N PRO A 79 133.631 51.158 22.450 1.00 20.22 N ATOM 692 CA PRO A 79 132.840 50.032 21.892 1.00 21.88 C ATOM 693 C PRO A 79 131.564 50.485 21.193 1.00 17.99 C ATOM 694 O PRO A 79 130.430 50.181 21.593 1.00 17.70 O ATOM 695 CB PRO A 79 132.571 49.175 23.135 1.00 26.65 C ATOM 696 CG PRO A 79 132.603 50.131 24.274 1.00 25.26 C ATOM 697 CD PRO A 79 133.613 51.172 23.924 1.00 21.14 C ATOM 698 N THR A 80 131.751 51.222 20.098 1.00 18.10 N ATOM 699 CA THR A 80 130.646 51.601 19.228 1.00 17.10 C ATOM 700 C THR A 80 130.376 50.475 18.236 1.00 15.89 C ATOM 701 O THR A 80 131.313 49.812 17.785 1.00 16.82 O ATOM 702 CB THR A 80 130.956 52.895 18.467 1.00 19.26 C ATOM 703 OG1 THR A 80 129.880 53.198 17.568 1.00 20.89 O ATOM 704 CG2 THR A 80 132.257 52.777 17.673 1.00 20.79 C ATOM 705 HG1 THR A 80 129.772 52.455 16.922 1.00 0.00 H ATOM 706 H THR A 80 132.713 51.535 19.858 1.00 0.00 H ATOM 707 N PRO A 81 129.116 50.206 17.897 1.00 16.69 N ATOM 708 CA PRO A 81 128.842 49.129 16.929 1.00 18.38 C ATOM 709 C PRO A 81 129.528 49.317 15.592 1.00 16.87 C ATOM 710 O PRO A 81 129.860 48.324 14.935 1.00 16.98 O ATOM 711 CB PRO A 81 127.311 49.159 16.788 1.00 23.31 C ATOM 712 CG PRO A 81 126.872 50.449 17.408 1.00 22.22 C ATOM 713 CD PRO A 81 127.883 50.793 18.439 1.00 17.09 C ATOM 714 N VAL A 82 129.732 50.558 15.154 1.00 17.82 N ATOM 715 CA VAL A 82 130.414 50.843 13.896 1.00 15.32 C ATOM 716 C VAL A 82 131.120 52.187 14.038 1.00 20.22 C ATOM 717 O VAL A 82 130.722 53.029 14.850 1.00 18.56 O ATOM 718 CB VAL A 82 129.432 50.867 12.698 1.00 20.17 C ATOM 719 CG1 VAL A 82 128.740 49.510 12.515 1.00 30.98 C ATOM 720 CG2 VAL A 82 128.400 51.971 12.880 1.00 22.57 C ATOM 721 H VAL A 82 129.392 51.354 15.730 1.00 0.00 H ATOM 722 N ASN A 83 132.172 52.390 13.236 1.00 14.22 N ATOM 723 CA ASN A 83 132.797 53.706 13.135 1.00 18.94 C ATOM 724 C ASN A 83 131.807 54.719 12.574 1.00 15.00 C ATOM 725 O ASN A 83 131.263 54.526 11.480 1.00 15.43 O ATOM 726 CB ASN A 83 134.019 53.666 12.212 1.00 16.14 C ATOM 727 CG ASN A 83 135.098 52.694 12.665 1.00 18.49 C ATOM 728 OD1 ASN A 83 135.359 52.525 13.858 1.00 17.80 O ATOM 729 ND2 ASN A 83 135.751 52.064 11.693 1.00 19.38 N ATOM 730 HD22 ASN A 83 135.497 52.237 10.699 1.00 0.00 H ATOM 731 HD21 ASN A 83 136.515 51.398 11.926 1.00 0.00 H ATOM 732 H ASN A 83 132.550 51.599 12.677 1.00 0.00 H ATOM 733 N VAL A 84 131.607 55.827 13.287 1.00 15.44 N ATOM 734 CA VAL A 84 130.713 56.880 12.823 1.00 13.90 C ATOM 735 C VAL A 84 131.449 58.211 12.789 1.00 14.98 C ATOM 736 O VAL A 84 132.189 58.553 13.718 1.00 15.12 O ATOM 737 CB VAL A 84 129.434 56.992 13.686 1.00 15.74 C ATOM 738 CG1 VAL A 84 128.605 55.730 13.530 1.00 16.55 C ATOM 739 CG2 VAL A 84 129.760 57.266 15.153 1.00 15.62 C ATOM 740 H VAL A 84 132.100 55.943 14.195 1.00 0.00 H ATOM 741 N ILE A 85 131.241 58.956 11.705 1.00 16.78 N ATOM 742 CA ILE A 85 131.645 60.354 11.617 1.00 13.42 C ATOM 743 C ILE A 85 130.447 61.215 11.994 1.00 16.05 C ATOM 744 O ILE A 85 129.418 61.194 11.308 1.00 12.97 O ATOM 745 CB ILE A 85 132.136 60.706 10.206 1.00 17.27 C ATOM 746 CG1 ILE A 85 133.197 59.707 9.741 1.00 14.52 C ATOM 747 CG2 ILE A 85 132.674 62.132 10.175 1.00 16.99 C ATOM 748 CD1 ILE A 85 134.413 59.643 10.634 1.00 13.42 C ATOM 749 H ILE A 85 130.770 58.522 10.886 1.00 0.00 H ATOM 750 N GLY A 86 130.590 61.991 13.069 1.00 11.56 N ATOM 751 CA GLY A 86 129.523 62.829 13.569 1.00 14.88 C ATOM 752 C GLY A 86 129.681 64.285 13.153 1.00 11.40 C ATOM 753 O GLY A 86 130.603 64.670 12.438 1.00 12.93 O ATOM 754 H GLY A 86 131.503 61.994 13.566 1.00 0.00 H ATOM 755 N ARG A 87 128.749 65.107 13.646 1.00 15.12 N ATOM 756 CA ARG A 87 128.621 66.470 13.145 1.00 15.37 C ATOM 757 C ARG A 87 129.853 67.306 13.456 1.00 13.90 C ATOM 758 O ARG A 87 130.155 68.253 12.718 1.00 13.55 O ATOM 759 CB ARG A 87 127.359 67.137 13.712 1.00 15.65 C ATOM 760 CG ARG A 87 126.048 66.552 13.160 1.00 12.33 C ATOM 761 CD ARG A 87 124.819 67.354 13.572 1.00 10.93 C ATOM 762 NE ARG A 87 124.637 67.336 15.018 1.00 13.29 N ATOM 763 CZ ARG A 87 124.989 68.317 15.849 1.00 16.50 C ATOM 764 NH1 ARG A 87 125.540 69.440 15.397 1.00 13.66 N ATOM 765 NH2 ARG A 87 124.782 68.169 17.145 1.00 13.88 N ATOM 766 HE ARG A 87 124.198 66.490 15.435 1.00 0.00 H ATOM 767 HH12 ARG A 87 125.807 70.193 16.063 1.00 0.00 H ATOM 768 HH11 ARG A 87 125.704 69.565 14.378 1.00 0.00 H ATOM 769 HH22 ARG A 87 125.052 68.926 17.805 1.00 0.00 H ATOM 770 HH21 ARG A 87 124.349 67.295 17.506 1.00 0.00 H ATOM 771 H ARG A 87 128.109 64.771 14.394 1.00 0.00 H ATOM 772 N ASN A 88 130.581 66.987 14.528 1.00 10.72 N ATOM 773 CA ASN A 88 131.752 67.798 14.856 1.00 12.84 C ATOM 774 C ASN A 88 132.773 67.781 13.723 1.00 14.85 C ATOM 775 O ASN A 88 133.503 68.762 13.531 1.00 16.95 O ATOM 776 CB ASN A 88 132.388 67.324 16.165 1.00 15.70 C ATOM 777 CG ASN A 88 133.075 65.966 16.033 1.00 17.42 C ATOM 778 OD1 ASN A 88 132.505 65.010 15.508 1.00 12.96 O ATOM 779 ND2 ASN A 88 134.313 65.890 16.494 1.00 16.25 N ATOM 780 HD22 ASN A 88 134.757 66.723 16.931 1.00 0.00 H ATOM 781 HD21 ASN A 88 134.842 64.998 16.419 1.00 0.00 H ATOM 782 H ASN A 88 130.319 66.174 15.121 1.00 0.00 H ATOM 783 N LEU A 89 132.836 66.693 12.961 1.00 13.39 N ATOM 784 CA LEU A 89 133.705 66.624 11.792 1.00 16.55 C ATOM 785 C LEU A 89 132.969 66.862 10.483 1.00 14.91 C ATOM 786 O LEU A 89 133.561 67.420 9.548 1.00 14.38 O ATOM 787 CB LEU A 89 134.415 65.265 11.733 1.00 17.58 C ATOM 788 CG LEU A 89 135.312 64.936 12.929 1.00 15.38 C ATOM 789 CD1 LEU A 89 136.039 63.606 12.715 1.00 18.65 C ATOM 790 CD2 LEU A 89 136.311 66.065 13.200 1.00 20.01 C ATOM 791 H LEU A 89 132.250 65.869 13.205 1.00 0.00 H ATOM 792 N LEU A 90 131.694 66.465 10.385 1.00 14.43 N ATOM 793 CA LEU A 90 130.950 66.712 9.155 1.00 15.77 C ATOM 794 C LEU A 90 130.910 68.204 8.836 1.00 20.34 C ATOM 795 O LEU A 90 130.995 68.596 7.667 1.00 17.95 O ATOM 796 CB LEU A 90 129.536 66.142 9.265 1.00 13.33 C ATOM 797 CG LEU A 90 129.391 64.625 9.393 1.00 18.10 C ATOM 798 CD1 LEU A 90 127.948 64.253 9.695 1.00 17.62 C ATOM 799 CD2 LEU A 90 129.865 63.917 8.131 1.00 19.99 C ATOM 800 H LEU A 90 131.235 65.982 11.184 1.00 0.00 H ATOM 801 N THR A 91 130.784 69.055 9.862 1.00 16.25 N ATOM 802 CA THR A 91 130.812 70.493 9.622 1.00 16.11 C ATOM 803 C THR A 91 132.149 70.914 9.028 1.00 17.26 C ATOM 804 O THR A 91 132.201 71.790 8.159 1.00 16.56 O ATOM 805 CB THR A 91 130.540 71.267 10.917 1.00 15.69 C ATOM 806 OG1 THR A 91 131.393 70.792 11.967 1.00 18.52 O ATOM 807 CG2 THR A 91 129.083 71.151 11.335 1.00 15.40 C ATOM 808 HG1 THR A 91 131.219 69.830 12.122 1.00 0.00 H ATOM 809 H THR A 91 130.666 68.691 10.829 1.00 0.00 H ATOM 810 N GLN A 92 133.243 70.283 9.468 1.00 17.30 N ATOM 811 CA GLN A 92 134.566 70.695 9.003 1.00 17.04 C ATOM 812 C GLN A 92 134.776 70.384 7.527 1.00 21.83 C ATOM 813 O GLN A 92 135.537 71.089 6.856 1.00 23.31 O ATOM 814 CB GLN A 92 135.666 70.029 9.835 1.00 16.48 C ATOM 815 CG GLN A 92 135.743 70.509 11.279 1.00 13.79 C ATOM 816 CD GLN A 92 137.059 70.150 11.964 1.00 19.23 C ATOM 817 OE1 GLN A 92 138.044 69.807 11.309 1.00 22.83 O ATOM 818 NE2 GLN A 92 137.082 70.247 13.285 1.00 20.33 N ATOM 819 HE22 GLN A 92 136.227 70.540 13.800 1.00 0.00 H ATOM 820 HE21 GLN A 92 137.955 70.030 13.807 1.00 0.00 H ATOM 821 H GLN A 92 133.152 69.497 10.143 1.00 0.00 H ATOM 822 N ILE A 93 134.120 69.357 6.989 1.00 18.33 N ATOM 823 CA ILE A 93 134.350 69.008 5.590 1.00 19.56 C ATOM 824 C ILE A 93 133.295 69.659 4.707 1.00 20.38 C ATOM 825 O ILE A 93 133.255 69.420 3.494 1.00 15.74 O ATOM 826 CB ILE A 93 134.400 67.481 5.391 1.00 22.25 C ATOM 827 CG1 ILE A 93 133.098 66.814 5.846 1.00 20.46 C ATOM 828 CG2 ILE A 93 135.580 66.917 6.152 1.00 19.74 C ATOM 829 CD1 ILE A 93 133.018 65.338 5.481 1.00 21.27 C ATOM 830 H ILE A 93 133.448 68.807 7.562 1.00 0.00 H ATOM 831 N GLY A 94 132.465 70.515 5.298 1.00 17.55 N ATOM 832 CA GLY A 94 131.458 71.213 4.532 1.00 19.28 C ATOM 833 C GLY A 94 130.248 70.385 4.175 1.00 25.63 C ATOM 834 O GLY A 94 129.594 70.663 3.165 1.00 17.41 O ATOM 835 H GLY A 94 132.542 70.683 6.321 1.00 0.00 H ATOM 836 N CYS A 95 129.922 69.381 4.983 1.00 21.60 N ATOM 837 CA CYS A 95 128.832 68.469 4.673 1.00 20.64 C ATOM 838 C CYS A 95 127.492 69.075 5.082 1.00 20.91 C ATOM 839 O CYS A 95 127.334 69.561 6.206 1.00 23.89 O ATOM 840 CB CYS A 95 129.065 67.132 5.381 1.00 21.67 C ATOM 841 SG CYS A 95 127.946 65.820 4.869 1.00 22.40 S ATOM 842 H CYS A 95 130.461 69.244 5.861 1.00 0.00 H ATOM 843 N THR A 96 126.539 69.062 4.152 1.00 15.62 N ATOM 844 CA THR A 96 125.170 69.490 4.396 1.00 19.54 C ATOM 845 C THR A 96 124.207 68.395 3.958 1.00 18.76 C ATOM 846 O THR A 96 124.547 67.525 3.152 1.00 18.18 O ATOM 847 CB THR A 96 124.835 70.778 3.635 1.00 18.90 C ATOM 848 OG1 THR A 96 125.033 70.562 2.231 1.00 15.18 O ATOM 849 CG2 THR A 96 125.722 71.927 4.090 1.00 21.41 C ATOM 850 HG1 THR A 96 124.441 69.831 1.924 1.00 0.00 H ATOM 851 H THR A 96 126.787 68.728 3.199 1.00 0.00 H ATOM 852 N LEU A 97 122.990 68.455 4.491 1.00 18.40 N ATOM 853 CA LEU A 97 121.882 67.649 4.001 1.00 16.52 C ATOM 854 C LEU A 97 121.090 68.468 2.999 1.00 21.79 C ATOM 855 O LEU A 97 120.899 69.674 3.182 1.00 20.80 O ATOM 856 CB LEU A 97 120.965 67.200 5.135 1.00 17.44 C ATOM 857 CG LEU A 97 121.508 66.125 6.075 1.00 12.91 C ATOM 858 CD1 LEU A 97 120.699 66.139 7.362 1.00 17.39 C ATOM 859 CD2 LEU A 97 121.474 64.742 5.417 1.00 18.67 C ATOM 860 H LEU A 97 122.824 69.102 5.288 1.00 0.00 H ATOM 861 N ASN A 98 120.627 67.807 1.944 1.00 20.01 N ATOM 862 CA ASN A 98 119.944 68.479 0.850 1.00 20.37 C ATOM 863 C ASN A 98 118.789 67.626 0.359 1.00 22.31 C ATOM 864 O ASN A 98 118.970 66.436 0.094 1.00 22.65 O ATOM 865 CB ASN A 98 120.918 68.747 -0.299 1.00 22.32 C ATOM 866 CG ASN A 98 122.091 69.611 0.121 1.00 25.91 C ATOM 867 OD1 ASN A 98 123.112 69.111 0.609 1.00 25.20 O ATOM 868 ND2 ASN A 98 121.959 70.916 -0.079 1.00 21.82 N ATOM 869 HD22 ASN A 98 121.082 71.293 -0.492 1.00 0.00 H ATOM 870 HD21 ASN A 98 122.732 71.562 0.178 1.00 0.00 H ATOM 871 H ASN A 98 120.757 66.776 1.899 1.00 0.00 H ATOM 872 N PHE A 99 117.612 68.233 0.230 1.00 24.03 N ATOM 873 CA PHE A 99 116.479 67.558 -0.405 1.00 25.08 C ATOM 874 C PHE A 99 115.554 68.573 -1.070 1.00 31.39 C ATOM 875 O PHE A 99 114.463 68.225 -1.515 1.00 26.76 O ATOM 876 CB PHE A 99 115.689 66.691 0.598 1.00 26.09 C ATOM 877 CG PHE A 99 115.264 67.404 1.854 1.00 29.46 C ATOM 878 CD1 PHE A 99 116.127 67.501 2.933 1.00 29.21 C ATOM 879 CD2 PHE A 99 113.988 67.933 1.975 1.00 28.82 C ATOM 880 CE1 PHE A 99 115.737 68.142 4.099 1.00 34.78 C ATOM 881 CE2 PHE A 99 113.593 68.576 3.143 1.00 35.33 C ATOM 882 CZ PHE A 99 114.472 68.677 4.203 1.00 30.88 C ATOM 883 OXT PHE A 99 115.879 69.756 -1.191 1.00 27.60 O ATOM 884 H PHE A 99 117.495 69.203 0.586 1.00 0.00 H TER 885 PHE A 99 ATOM 886 N PRO B 1 115.374 71.985 0.595 1.00 42.80 N ATOM 887 CA PRO B 1 116.288 72.952 1.212 1.00 35.06 C ATOM 888 C PRO B 1 117.678 72.377 1.479 1.00 32.11 C ATOM 889 O PRO B 1 117.952 71.215 1.174 1.00 27.12 O ATOM 890 CB PRO B 1 115.583 73.304 2.528 1.00 36.48 C ATOM 891 CG PRO B 1 114.747 72.113 2.838 1.00 31.48 C ATOM 892 CD PRO B 1 114.285 71.600 1.508 1.00 28.84 C ATOM 893 HN2 PRO B 1 115.911 71.134 0.334 1.00 0.00 H ATOM 894 HN1 PRO B 1 114.962 72.410 -0.260 1.00 0.00 H ATOM 895 N GLN B 2 118.554 73.202 2.042 1.00 23.96 N ATOM 896 CA GLN B 2 119.874 72.771 2.475 1.00 24.17 C ATOM 897 C GLN B 2 119.979 72.957 3.979 1.00 29.20 C ATOM 898 O GLN B 2 119.693 74.043 4.498 1.00 22.62 O ATOM 899 CB GLN B 2 120.980 73.555 1.772 1.00 22.16 C ATOM 900 CG GLN B 2 122.373 73.133 2.201 1.00 25.04 C ATOM 901 CD GLN B 2 123.460 73.752 1.345 1.00 29.24 C ATOM 902 OE1 GLN B 2 123.755 73.272 0.251 1.00 30.47 O ATOM 903 NE2 GLN B 2 124.060 74.827 1.841 1.00 33.87 N ATOM 904 HE22 GLN B 2 123.777 75.198 2.771 1.00 0.00 H ATOM 905 HE21 GLN B 2 124.813 75.299 1.300 1.00 0.00 H ATOM 906 H GLN B 2 118.285 74.197 2.179 1.00 0.00 H ATOM 907 N ILE B 3 120.392 71.904 4.673 1.00 21.21 N ATOM 908 CA ILE B 3 120.511 71.915 6.124 1.00 22.70 C ATOM 909 C ILE B 3 121.984 71.770 6.477 1.00 26.51 C ATOM 910 O ILE B 3 122.631 70.789 6.087 1.00 14.54 O ATOM 911 CB ILE B 3 119.664 70.804 6.758 1.00 20.86 C ATOM 912 CG1 ILE B 3 118.196 71.001 6.370 1.00 27.35 C ATOM 913 CG2 ILE B 3 119.815 70.800 8.272 1.00 21.36 C ATOM 914 CD1 ILE B 3 117.287 69.884 6.806 1.00 28.07 C ATOM 915 H ILE B 3 120.641 71.035 4.159 1.00 0.00 H ATOM 916 N THR B 4 122.517 72.754 7.199 1.00 17.68 N ATOM 917 CA THR B 4 123.862 72.644 7.738 1.00 18.24 C ATOM 918 C THR B 4 123.824 71.861 9.046 1.00 15.83 C ATOM 919 O THR B 4 122.764 71.622 9.633 1.00 19.13 O ATOM 920 CB THR B 4 124.487 74.027 7.951 1.00 23.11 C ATOM 921 OG1 THR B 4 123.727 74.768 8.915 1.00 25.27 O ATOM 922 CG2 THR B 4 124.526 74.805 6.643 1.00 20.02 C ATOM 923 HG1 THR B 4 123.720 74.278 9.775 1.00 0.00 H ATOM 924 H THR B 4 121.962 73.615 7.380 1.00 0.00 H ATOM 925 N LEU B 5 125.002 71.442 9.500 1.00 13.59 N ATOM 926 CA LEU B 5 125.091 70.511 10.617 1.00 16.45 C ATOM 927 C LEU B 5 125.749 71.132 11.840 1.00 15.05 C ATOM 928 O LEU B 5 126.229 70.401 12.715 1.00 14.54 O ATOM 929 CB LEU B 5 125.827 69.247 10.175 1.00 19.56 C ATOM 930 CG LEU B 5 125.101 68.555 9.013 1.00 14.59 C ATOM 931 CD1 LEU B 5 125.938 67.431 8.421 1.00 17.27 C ATOM 932 CD2 LEU B 5 123.752 68.014 9.471 1.00 15.32 C ATOM 933 H LEU B 5 125.875 71.785 9.050 1.00 0.00 H ATOM 934 N TRP B 6 125.742 72.468 11.931 1.00 16.83 N ATOM 935 CA TRP B 6 126.179 73.137 13.150 1.00 14.82 C ATOM 936 C TRP B 6 125.354 72.689 14.345 1.00 18.43 C ATOM 937 O TRP B 6 125.877 72.550 15.458 1.00 19.85 O ATOM 938 CB TRP B 6 126.070 74.652 12.992 1.00 18.83 C ATOM 939 CG TRP B 6 127.003 75.264 11.991 1.00 23.05 C ATOM 940 CD1 TRP B 6 126.658 75.945 10.864 1.00 21.61 C ATOM 941 CD2 TRP B 6 128.438 75.276 12.045 1.00 20.03 C ATOM 942 NE1 TRP B 6 127.786 76.378 10.210 1.00 17.33 N ATOM 943 CE2 TRP B 6 128.891 75.981 10.915 1.00 18.87 C ATOM 944 CE3 TRP B 6 129.379 74.758 12.938 1.00 20.80 C ATOM 945 CZ2 TRP B 6 130.245 76.179 10.650 1.00 23.02 C ATOM 946 CZ3 TRP B 6 130.723 74.954 12.676 1.00 21.71 C ATOM 947 CH2 TRP B 6 131.144 75.662 11.542 1.00 19.26 C ATOM 948 HE1 TRP B 6 127.799 76.920 9.322 1.00 0.00 H ATOM 949 H TRP B 6 125.420 73.036 11.121 1.00 0.00 H ATOM 950 N LYS B 7 124.058 72.478 14.140 1.00 14.88 N ATOM 951 CA LYS B 7 123.168 72.003 15.186 1.00 14.51 C ATOM 952 C LYS B 7 122.475 70.743 14.686 1.00 16.04 C ATOM 953 O LYS B 7 122.580 70.372 13.512 1.00 14.19 O ATOM 954 CB LYS B 7 122.145 73.079 15.597 1.00 17.01 C ATOM 955 CG LYS B 7 121.115 73.439 14.536 1.00 16.49 C ATOM 956 CD LYS B 7 120.180 74.551 15.028 1.00 22.65 C ATOM 957 CE LYS B 7 119.005 74.753 14.079 1.00 27.45 C ATOM 958 NZ LYS B 7 118.098 75.854 14.522 1.00 39.62 N ATOM 959 HZ1 LYS B 7 117.717 75.630 15.463 1.00 0.00 H ATOM 960 HZ2 LYS B 7 118.632 76.745 14.567 1.00 0.00 H ATOM 961 HZ3 LYS B 7 117.316 75.951 13.844 1.00 0.00 H ATOM 962 H LYS B 7 123.665 72.660 13.194 1.00 0.00 H ATOM 963 N ARG B 8 121.773 70.074 15.593 1.00 14.66 N ATOM 964 CA ARG B 8 121.097 68.842 15.227 1.00 18.36 C ATOM 965 C ARG B 8 120.084 69.118 14.116 1.00 18.19 C ATOM 966 O ARG B 8 119.356 70.119 14.176 1.00 14.99 O ATOM 967 CB ARG B 8 120.399 68.240 16.442 1.00 19.00 C ATOM 968 CG ARG B 8 121.349 67.787 17.527 1.00 17.88 C ATOM 969 CD ARG B 8 120.632 67.020 18.632 1.00 20.81 C ATOM 970 NE ARG B 8 121.580 66.370 19.533 1.00 29.23 N ATOM 971 CZ ARG B 8 121.260 65.403 20.389 1.00 36.83 C ATOM 972 NH1 ARG B 8 120.009 64.962 20.469 1.00 30.64 N ATOM 973 NH2 ARG B 8 122.195 64.872 21.166 1.00 31.59 N ATOM 974 HE ARG B 8 122.571 66.684 19.504 1.00 0.00 H ATOM 975 HH12 ARG B 8 119.766 64.206 21.140 1.00 0.00 H ATOM 976 HH11 ARG B 8 119.273 65.373 19.860 1.00 0.00 H ATOM 977 HH22 ARG B 8 121.947 64.116 21.836 1.00 0.00 H ATOM 978 HH21 ARG B 8 123.176 65.212 21.105 1.00 0.00 H ATOM 979 H ARG B 8 121.707 70.433 16.567 1.00 0.00 H ATOM 980 N PRO B 9 120.022 68.269 13.070 1.00 11.70 N ATOM 981 CA PRO B 9 119.081 68.517 11.954 1.00 16.09 C ATOM 982 C PRO B 9 117.654 68.094 12.280 1.00 17.98 C ATOM 983 O PRO B 9 117.122 67.103 11.770 1.00 16.84 O ATOM 984 CB PRO B 9 119.699 67.693 10.818 1.00 19.56 C ATOM 985 CG PRO B 9 120.378 66.565 11.510 1.00 16.29 C ATOM 986 CD PRO B 9 120.955 67.168 12.760 1.00 14.34 C ATOM 987 N LEU B 10 117.022 68.875 13.153 1.00 14.73 N ATOM 988 CA LEU B 10 115.657 68.631 13.597 1.00 18.99 C ATOM 989 C LEU B 10 114.661 69.259 12.634 1.00 20.91 C ATOM 990 O LEU B 10 114.828 70.407 12.214 1.00 13.68 O ATOM 991 CB LEU B 10 115.438 69.211 14.996 1.00 17.21 C ATOM 992 CG LEU B 10 116.097 68.454 16.143 1.00 23.07 C ATOM 993 CD1 LEU B 10 116.025 69.275 17.423 1.00 29.02 C ATOM 994 CD2 LEU B 10 115.415 67.099 16.325 1.00 31.50 C ATOM 995 H LEU B 10 117.527 69.699 13.536 1.00 0.00 H ATOM 996 N VAL B 11 113.612 68.502 12.303 1.00 20.05 N ATOM 997 CA VAL B 11 112.533 68.992 11.453 1.00 20.67 C ATOM 998 C VAL B 11 111.203 68.500 12.007 1.00 21.18 C ATOM 999 O VAL B 11 111.136 67.542 12.782 1.00 19.14 O ATOM 1000 CB VAL B 11 112.692 68.547 9.978 1.00 21.63 C ATOM 1001 CG1 VAL B 11 113.992 69.095 9.396 1.00 22.91 C ATOM 1002 CG2 VAL B 11 112.635 67.019 9.856 1.00 20.36 C ATOM 1003 H VAL B 11 113.563 67.528 12.664 1.00 0.00 H ATOM 1004 N THR B 12 110.138 69.178 11.595 1.00 17.89 N ATOM 1005 CA THR B 12 108.790 68.778 11.963 1.00 20.38 C ATOM 1006 C THR B 12 108.297 67.717 10.994 1.00 18.46 C ATOM 1007 O THR B 12 108.506 67.816 9.782 1.00 18.65 O ATOM 1008 CB THR B 12 107.836 69.976 11.944 1.00 19.84 C ATOM 1009 OG1 THR B 12 108.382 71.046 12.721 1.00 21.27 O ATOM 1010 CG2 THR B 12 106.470 69.592 12.504 1.00 21.68 C ATOM 1011 HG1 THR B 12 108.508 70.743 13.655 1.00 0.00 H ATOM 1012 H THR B 12 110.272 70.016 10.994 1.00 0.00 H ATOM 1013 N ILE B 13 107.640 66.695 11.535 1.00 21.05 N ATOM 1014 CA ILE B 13 107.055 65.637 10.728 1.00 17.89 C ATOM 1015 C ILE B 13 105.587 65.503 11.105 1.00 20.01 C ATOM 1016 O ILE B 13 105.150 65.952 12.166 1.00 20.32 O ATOM 1017 CB ILE B 13 107.782 64.288 10.910 1.00 18.60 C ATOM 1018 CG1 ILE B 13 107.594 63.760 12.337 1.00 18.54 C ATOM 1019 CG2 ILE B 13 109.262 64.457 10.577 1.00 27.53 C ATOM 1020 CD1 ILE B 13 108.189 62.389 12.567 1.00 26.47 C ATOM 1021 H ILE B 13 107.542 66.651 12.569 1.00 0.00 H ATOM 1022 N LYS B 14 104.827 64.880 10.210 1.00 17.15 N ATOM 1023 CA LYS B 14 103.425 64.559 10.445 1.00 21.02 C ATOM 1024 C LYS B 14 103.246 63.058 10.276 1.00 23.10 C ATOM 1025 O LYS B 14 103.572 62.510 9.219 1.00 20.21 O ATOM 1026 CB LYS B 14 102.515 65.331 9.487 1.00 28.66 C ATOM 1027 CG LYS B 14 101.032 64.993 9.651 1.00 34.32 C ATOM 1028 CD LYS B 14 100.125 66.067 9.048 1.00 36.56 C ATOM 1029 CE LYS B 14 100.435 66.321 7.581 1.00 43.37 C ATOM 1030 NZ LYS B 14 99.312 67.010 6.880 1.00 51.29 N ATOM 1031 HZ1 LYS B 14 98.457 66.420 6.933 1.00 0.00 H ATOM 1032 HZ2 LYS B 14 99.130 67.927 7.336 1.00 0.00 H ATOM 1033 HZ3 LYS B 14 99.568 67.162 5.884 1.00 0.00 H ATOM 1034 H LYS B 14 105.252 64.609 9.300 1.00 0.00 H ATOM 1035 N ILE B 15 102.755 62.395 11.320 1.00 25.64 N ATOM 1036 CA ILE B 15 102.586 60.944 11.308 1.00 28.74 C ATOM 1037 C ILE B 15 101.336 60.593 12.096 1.00 27.37 C ATOM 1038 O ILE B 15 101.169 61.028 13.241 1.00 26.17 O ATOM 1039 CB ILE B 15 103.796 60.195 11.899 1.00 32.91 C ATOM 1040 CG1 ILE B 15 103.450 58.702 12.026 1.00 30.38 C ATOM 1041 CG2 ILE B 15 104.192 60.785 13.248 1.00 28.89 C ATOM 1042 CD1 ILE B 15 104.595 57.827 12.400 1.00 29.89 C ATOM 1043 H ILE B 15 102.483 62.927 12.171 1.00 0.00 H ATOM 1044 N GLY B 16 100.486 59.764 11.500 1.00 38.22 N ATOM 1045 CA GLY B 16 99.242 59.389 12.158 1.00 40.30 C ATOM 1046 C GLY B 16 98.462 60.582 12.659 1.00 34.11 C ATOM 1047 O GLY B 16 97.908 60.546 13.766 1.00 37.53 O ATOM 1048 H GLY B 16 100.710 59.381 10.559 1.00 0.00 H ATOM 1049 N GLY B 17 98.423 61.654 11.869 1.00 32.56 N ATOM 1050 CA GLY B 17 97.714 62.853 12.267 1.00 27.99 C ATOM 1051 C GLY B 17 98.309 63.581 13.450 1.00 37.14 C ATOM 1052 O GLY B 17 97.603 64.348 14.113 1.00 29.41 O ATOM 1053 H GLY B 17 98.910 61.630 10.950 1.00 0.00 H ATOM 1054 N GLN B 18 99.588 63.361 13.742 1.00 29.56 N ATOM 1055 CA GLN B 18 100.281 64.067 14.808 1.00 28.57 C ATOM 1056 C GLN B 18 101.527 64.743 14.254 1.00 26.49 C ATOM 1057 O GLN B 18 102.161 64.237 13.324 1.00 24.32 O ATOM 1058 CB GLN B 18 100.685 63.115 15.939 1.00 37.91 C ATOM 1059 CG GLN B 18 99.549 62.673 16.834 1.00 38.04 C ATOM 1060 CD GLN B 18 100.045 62.222 18.191 1.00 49.86 C ATOM 1061 OE1 GLN B 18 100.747 61.217 18.306 1.00 53.15 O ATOM 1062 NE2 GLN B 18 99.699 62.979 19.228 1.00 53.44 N ATOM 1063 HE22 GLN B 18 99.104 63.819 19.083 1.00 0.00 H ATOM 1064 HE21 GLN B 18 100.023 62.731 20.184 1.00 0.00 H ATOM 1065 H GLN B 18 100.113 62.656 13.186 1.00 0.00 H ATOM 1066 N LEU B 19 101.872 65.890 14.835 1.00 26.16 N ATOM 1067 CA LEU B 19 103.097 66.602 14.494 1.00 25.83 C ATOM 1068 C LEU B 19 104.150 66.340 15.564 1.00 28.42 C ATOM 1069 O LEU B 19 103.869 66.449 16.761 1.00 36.21 O ATOM 1070 CB LEU B 19 102.860 68.107 14.363 1.00 31.57 C ATOM 1071 CG LEU B 19 101.897 68.601 13.281 1.00 30.15 C ATOM 1072 CD1 LEU B 19 101.963 70.122 13.209 1.00 30.98 C ATOM 1073 CD2 LEU B 19 102.207 67.982 11.926 1.00 28.23 C ATOM 1074 H LEU B 19 101.244 66.293 15.559 1.00 0.00 H ATOM 1075 N LYS B 20 105.360 66.007 15.129 1.00 22.86 N ATOM 1076 CA LYS B 20 106.471 65.760 16.033 1.00 26.47 C ATOM 1077 C LYS B 20 107.742 66.346 15.431 1.00 21.04 C ATOM 1078 O LYS B 20 107.779 66.743 14.265 1.00 20.21 O ATOM 1079 CB LYS B 20 106.624 64.256 16.302 1.00 22.60 C ATOM 1080 CG LYS B 20 105.363 63.620 16.869 1.00 32.36 C ATOM 1081 CD LYS B 20 105.540 62.145 17.153 1.00 31.78 C ATOM 1082 CE LYS B 20 104.367 61.578 17.943 1.00 37.63 C ATOM 1083 NZ LYS B 20 104.169 62.256 19.255 1.00 41.44 N ATOM 1084 HZ1 LYS B 20 105.025 62.144 19.834 1.00 0.00 H ATOM 1085 HZ2 LYS B 20 103.986 63.267 19.097 1.00 0.00 H ATOM 1086 HZ3 LYS B 20 103.358 61.828 19.746 1.00 0.00 H ATOM 1087 H LYS B 20 105.518 65.920 14.105 1.00 0.00 H ATOM 1088 N GLU B 21 108.785 66.417 16.251 1.00 21.93 N ATOM 1089 CA GLU B 21 110.116 66.795 15.799 1.00 25.14 C ATOM 1090 C GLU B 21 110.985 65.545 15.726 1.00 24.26 C ATOM 1091 O GLU B 21 110.895 64.664 16.590 1.00 17.02 O ATOM 1092 CB GLU B 21 110.762 67.820 16.737 1.00 25.58 C ATOM 1093 CG GLU B 21 110.020 69.145 16.878 1.00 37.17 C ATOM 1094 CD GLU B 21 109.991 69.952 15.592 1.00 36.75 C ATOM 1095 OE1 GLU B 21 108.931 69.971 14.932 1.00 41.10 O ATOM 1096 OE2 GLU B 21 111.024 70.563 15.235 1.00 34.99 O ATOM 1097 H GLU B 21 108.645 66.193 17.257 1.00 0.00 H ATOM 1098 N ALA B 22 111.824 65.473 14.692 1.00 14.78 N ATOM 1099 CA ALA B 22 112.670 64.312 14.469 1.00 18.44 C ATOM 1100 C ALA B 22 113.953 64.744 13.774 1.00 16.53 C ATOM 1101 O ALA B 22 113.977 65.746 13.061 1.00 14.91 O ATOM 1102 CB ALA B 22 111.967 63.250 13.617 1.00 14.25 C ATOM 1103 H ALA B 22 111.875 66.270 14.026 1.00 0.00 H ATOM 1104 N LEU B 23 115.006 63.959 13.980 1.00 15.06 N ATOM 1105 CA LEU B 23 116.288 64.162 13.318 1.00 16.56 C ATOM 1106 C LEU B 23 116.312 63.481 11.959 1.00 17.64 C ATOM 1107 O LEU B 23 115.885 62.332 11.819 1.00 17.17 O ATOM 1108 CB LEU B 23 117.433 63.590 14.152 1.00 17.93 C ATOM 1109 CG LEU B 23 117.806 64.245 15.464 1.00 28.04 C ATOM 1110 CD1 LEU B 23 118.942 63.476 16.114 1.00 30.34 C ATOM 1111 CD2 LEU B 23 118.207 65.674 15.231 1.00 30.51 C ATOM 1112 H LEU B 23 114.910 63.164 14.644 1.00 0.00 H ATOM 1113 N LEU B 24 116.851 64.184 10.968 1.00 15.93 N ATOM 1114 CA LEU B 24 117.186 63.564 9.692 1.00 14.48 C ATOM 1115 C LEU B 24 118.522 62.856 9.869 1.00 17.73 C ATOM 1116 O LEU B 24 119.570 63.507 9.917 1.00 14.59 O ATOM 1117 CB LEU B 24 117.258 64.610 8.586 1.00 17.56 C ATOM 1118 CG LEU B 24 116.000 65.448 8.351 1.00 16.81 C ATOM 1119 CD1 LEU B 24 116.291 66.496 7.300 1.00 21.58 C ATOM 1120 CD2 LEU B 24 114.817 64.579 7.938 1.00 20.39 C ATOM 1121 H LEU B 24 117.038 65.198 11.106 1.00 0.00 H ATOM 1122 N ASP B 25 118.494 61.527 9.972 1.00 14.51 N ATOM 1123 CA ASP B 25 119.635 60.762 10.471 1.00 13.26 C ATOM 1124 C ASP B 25 120.127 59.769 9.420 1.00 15.04 C ATOM 1125 O ASP B 25 119.570 58.676 9.274 1.00 11.91 O ATOM 1126 CB ASP B 25 119.274 60.039 11.757 1.00 12.11 C ATOM 1127 CG ASP B 25 120.488 59.411 12.416 1.00 14.62 C ATOM 1128 OD1 ASP B 25 121.579 59.452 11.799 1.00 13.33 O ATOM 1129 OD2 ASP B 25 120.358 58.888 13.541 1.00 14.70 O ATOM 1130 H ASP B 25 117.632 61.018 9.688 1.00 0.00 H ATOM 1131 N THR B 26 121.211 60.135 8.731 1.00 13.78 N ATOM 1132 CA THR B 26 121.818 59.257 7.741 1.00 14.50 C ATOM 1133 C THR B 26 122.448 58.017 8.361 1.00 17.30 C ATOM 1134 O THR B 26 122.698 57.040 7.644 1.00 16.64 O ATOM 1135 CB THR B 26 122.873 60.023 6.939 1.00 11.02 C ATOM 1136 OG1 THR B 26 123.936 60.445 7.806 1.00 15.69 O ATOM 1137 CG2 THR B 26 122.254 61.241 6.280 1.00 13.09 C ATOM 1138 HG1 THR B 26 124.355 59.651 8.223 1.00 0.00 H ATOM 1139 H THR B 26 121.632 61.070 8.906 1.00 0.00 H ATOM 1140 N GLY B 27 122.716 58.030 9.668 1.00 11.81 N ATOM 1141 CA GLY B 27 123.240 56.857 10.340 1.00 14.30 C ATOM 1142 C GLY B 27 122.193 55.867 10.802 1.00 13.48 C ATOM 1143 O GLY B 27 122.551 54.794 11.282 1.00 13.75 O ATOM 1144 H GLY B 27 122.546 58.898 10.215 1.00 0.00 H ATOM 1145 N ALA B 28 120.912 56.203 10.674 1.00 18.04 N ATOM 1146 CA ALA B 28 119.822 55.311 11.044 1.00 13.21 C ATOM 1147 C ALA B 28 119.344 54.573 9.803 1.00 12.64 C ATOM 1148 O ALA B 28 118.884 55.202 8.849 1.00 13.26 O ATOM 1149 CB ALA B 28 118.673 56.096 11.675 1.00 11.78 C ATOM 1150 H ALA B 28 120.679 57.143 10.294 1.00 0.00 H ATOM 1151 N ASP B 29 119.471 53.245 9.811 1.00 14.72 N ATOM 1152 CA ASP B 29 118.903 52.447 8.727 1.00 16.45 C ATOM 1153 C ASP B 29 117.414 52.714 8.582 1.00 16.53 C ATOM 1154 O ASP B 29 116.914 52.935 7.473 1.00 15.95 O ATOM 1155 CB ASP B 29 119.136 50.956 8.979 1.00 20.26 C ATOM 1156 CG ASP B 29 120.578 50.549 8.819 1.00 22.55 C ATOM 1157 OD1 ASP B 29 121.385 51.334 8.278 1.00 23.36 O ATOM 1158 OD2 ASP B 29 120.908 49.427 9.239 1.00 17.74 O ATOM 1159 H ASP B 29 119.975 52.777 10.591 1.00 0.00 H ATOM 1160 N ASP B 30 116.685 52.688 9.698 1.00 14.98 N ATOM 1161 CA ASP B 30 115.235 52.776 9.690 1.00 17.44 C ATOM 1162 C ASP B 30 114.766 53.843 10.664 1.00 14.67 C ATOM 1163 O ASP B 30 115.438 54.154 11.651 1.00 17.36 O ATOM 1164 CB ASP B 30 114.602 51.432 10.041 1.00 21.48 C ATOM 1165 CG ASP B 30 114.703 50.446 8.905 1.00 26.88 C ATOM 1166 OD1 ASP B 30 114.189 50.758 7.809 1.00 20.28 O ATOM 1167 OD2 ASP B 30 115.316 49.379 9.099 1.00 23.34 O ATOM 1168 H ASP B 30 117.174 52.601 10.612 1.00 0.00 H ATOM 1169 N THR B 31 113.605 54.404 10.354 1.00 14.46 N ATOM 1170 CA THR B 31 112.998 55.449 11.168 1.00 14.29 C ATOM 1171 C THR B 31 112.523 54.876 12.503 1.00 20.67 C ATOM 1172 O THR B 31 111.888 53.815 12.549 1.00 17.63 O ATOM 1173 CB THR B 31 111.838 56.073 10.387 1.00 15.37 C ATOM 1174 OG1 THR B 31 112.356 56.689 9.203 1.00 18.13 O ATOM 1175 CG2 THR B 31 111.087 57.110 11.203 1.00 15.04 C ATOM 1176 HG1 THR B 31 112.806 56.005 8.646 1.00 0.00 H ATOM 1177 H THR B 31 113.109 54.086 9.497 1.00 0.00 H ATOM 1178 N VAL B 32 112.847 55.573 13.591 1.00 16.29 N ATOM 1179 CA VAL B 32 112.455 55.171 14.936 1.00 16.45 C ATOM 1180 C VAL B 32 111.846 56.383 15.623 1.00 19.93 C ATOM 1181 O VAL B 32 112.472 57.446 15.675 1.00 15.92 O ATOM 1182 CB VAL B 32 113.649 54.641 15.756 1.00 19.90 C ATOM 1183 CG1 VAL B 32 113.155 53.989 17.044 1.00 19.04 C ATOM 1184 CG2 VAL B 32 114.480 53.671 14.936 1.00 22.31 C ATOM 1185 H VAL B 32 113.405 56.443 13.475 1.00 0.00 H ATOM 1186 N LEU B 33 110.638 56.227 16.158 1.00 18.97 N ATOM 1187 CA LEU B 33 109.931 57.338 16.777 1.00 15.16 C ATOM 1188 C LEU B 33 109.563 57.002 18.215 1.00 23.95 C ATOM 1189 O LEU B 33 109.400 55.831 18.582 1.00 19.35 O ATOM 1190 CB LEU B 33 108.660 57.703 16.003 1.00 18.96 C ATOM 1191 CG LEU B 33 108.814 58.170 14.553 1.00 19.14 C ATOM 1192 CD1 LEU B 33 107.454 58.473 13.961 1.00 28.40 C ATOM 1193 CD2 LEU B 33 109.719 59.391 14.441 1.00 18.06 C ATOM 1194 H LEU B 33 110.189 55.289 16.133 1.00 0.00 H ATOM 1195 N GLU B 34 109.437 58.059 19.016 1.00 21.04 N ATOM 1196 CA GLU B 34 109.025 57.946 20.405 1.00 24.41 C ATOM 1197 C GLU B 34 107.754 57.118 20.523 1.00 34.32 C ATOM 1198 O GLU B 34 106.969 56.995 19.573 1.00 21.44 O ATOM 1199 CB GLU B 34 108.792 59.338 20.999 1.00 30.73 C ATOM 1200 CG GLU B 34 107.722 60.146 20.251 1.00 35.35 C ATOM 1201 CD GLU B 34 107.470 61.507 20.868 1.00 44.62 C ATOM 1202 OE1 GLU B 34 106.929 61.556 21.994 1.00 47.66 O ATOM 1203 OE2 GLU B 34 107.815 62.525 20.229 1.00 36.87 O ATOM 1204 H GLU B 34 109.642 59.003 18.632 1.00 0.00 H ATOM 1205 N GLU B 35 107.563 56.543 21.708 1.00 34.38 N ATOM 1206 CA GLU B 35 106.360 55.773 21.987 1.00 38.61 C ATOM 1207 C GLU B 35 105.123 56.564 21.583 1.00 36.59 C ATOM 1208 O GLU B 35 104.930 57.707 22.010 1.00 35.59 O ATOM 1209 CB GLU B 35 106.302 55.413 23.475 1.00 43.88 C ATOM 1210 CG GLU B 35 105.070 54.616 23.880 1.00 42.61 C ATOM 1211 CD GLU B 35 104.945 53.311 23.120 1.00 39.51 C ATOM 1212 OE1 GLU B 35 105.979 52.634 22.940 1.00 29.50 O ATOM 1213 OE2 GLU B 35 103.818 52.969 22.695 1.00 39.86 O ATOM 1214 H GLU B 35 108.287 56.646 22.448 1.00 0.00 H ATOM 1215 N MET B 36 104.300 55.956 20.734 1.00 30.08 N ATOM 1216 CA MET B 36 103.042 56.557 20.321 1.00 44.39 C ATOM 1217 C MET B 36 102.066 55.438 19.990 1.00 35.97 C ATOM 1218 O MET B 36 102.461 54.403 19.450 1.00 35.66 O ATOM 1219 CB MET B 36 103.232 57.496 19.122 1.00 38.39 C ATOM 1220 CG MET B 36 103.695 56.829 17.833 1.00 40.65 C ATOM 1221 SD MET B 36 104.046 58.029 16.520 1.00 35.89 S ATOM 1222 CE MET B 36 102.626 59.122 16.631 1.00 43.61 C ATOM 1223 H MET B 36 104.563 55.024 20.355 1.00 0.00 H ATOM 1224 N ASN B 37 100.791 55.653 20.324 1.00 41.63 N ATOM 1225 CA ASN B 37 99.774 54.600 20.248 1.00 41.95 C ATOM 1226 C ASN B 37 99.203 54.546 18.833 1.00 36.23 C ATOM 1227 O ASN B 37 98.098 55.011 18.550 1.00 47.82 O ATOM 1228 CB ASN B 37 98.685 54.839 21.287 1.00 35.89 C ATOM 1229 H ASN B 37 100.510 56.600 20.649 1.00 0.00 H ATOM 1230 N LEU B 38 99.974 53.930 17.935 1.00 40.66 N ATOM 1231 CA LEU B 38 99.607 53.798 16.529 1.00 34.30 C ATOM 1232 C LEU B 38 98.627 52.635 16.343 1.00 45.97 C ATOM 1233 O LEU B 38 98.800 51.576 16.948 1.00 47.19 O ATOM 1234 CB LEU B 38 100.858 53.559 15.679 1.00 45.64 C ATOM 1235 CG LEU B 38 101.093 54.347 14.385 1.00 44.03 C ATOM 1236 CD1 LEU B 38 100.878 55.847 14.560 1.00 39.99 C ATOM 1237 CD2 LEU B 38 102.510 54.077 13.879 1.00 37.90 C ATOM 1238 H LEU B 38 100.878 53.525 18.252 1.00 0.00 H ATOM 1239 N PRO B 39 97.600 52.793 15.511 1.00 43.91 N ATOM 1240 CA PRO B 39 96.687 51.676 15.247 1.00 48.74 C ATOM 1241 C PRO B 39 97.301 50.658 14.297 1.00 34.38 C ATOM 1242 O PRO B 39 98.282 50.920 13.603 1.00 33.96 O ATOM 1243 CB PRO B 39 95.472 52.352 14.602 1.00 43.81 C ATOM 1244 CG PRO B 39 96.039 53.540 13.918 1.00 46.37 C ATOM 1245 CD PRO B 39 97.217 53.999 14.754 1.00 49.47 C ATOM 1246 N GLY B 40 96.693 49.477 14.276 1.00 43.61 N ATOM 1247 CA GLY B 40 97.093 48.431 13.360 1.00 38.00 C ATOM 1248 C GLY B 40 98.097 47.460 13.957 1.00 31.32 C ATOM 1249 O GLY B 40 98.596 47.622 15.074 1.00 38.45 O ATOM 1250 H GLY B 40 95.909 49.300 14.936 1.00 0.00 H ATOM 1251 N ARG B 41 98.399 46.432 13.172 1.00 25.72 N ATOM 1252 CA ARG B 41 99.291 45.359 13.574 1.00 36.55 C ATOM 1253 C ARG B 41 100.747 45.824 13.539 1.00 32.58 C ATOM 1254 O ARG B 41 101.081 46.892 13.016 1.00 28.95 O ATOM 1255 CB ARG B 41 99.108 44.151 12.658 1.00 32.26 C ATOM 1256 CG ARG B 41 97.661 43.714 12.479 1.00 40.53 C ATOM 1257 CD ARG B 41 97.372 42.386 13.142 1.00 48.33 C ATOM 1258 NE ARG B 41 97.948 41.260 12.405 1.00 53.02 N ATOM 1259 CZ ARG B 41 98.787 40.355 12.909 1.00 48.88 C ATOM 1260 NH1 ARG B 41 99.173 40.404 14.181 1.00 39.61 N ATOM 1261 NH2 ARG B 41 99.235 39.378 12.130 1.00 50.43 N ATOM 1262 HE ARG B 41 97.680 41.158 11.405 1.00 0.00 H ATOM 1263 HH12 ARG B 41 99.828 39.688 14.554 1.00 0.00 H ATOM 1264 HH11 ARG B 41 98.819 41.159 14.803 1.00 0.00 H ATOM 1265 HH22 ARG B 41 99.890 38.667 12.513 1.00 0.00 H ATOM 1266 HH21 ARG B 41 98.931 39.324 11.137 1.00 0.00 H ATOM 1267 H ARG B 41 97.976 46.394 12.223 1.00 0.00 H ATOM 1268 N TRP B 42 101.622 44.995 14.099 1.00 28.87 N ATOM 1269 CA TRP B 42 103.047 45.299 14.142 1.00 29.27 C ATOM 1270 C TRP B 42 103.810 44.019 14.448 1.00 33.05 C ATOM 1271 O TRP B 42 103.230 43.005 14.842 1.00 24.94 O ATOM 1272 CB TRP B 42 103.342 46.381 15.180 1.00 20.22 C ATOM 1273 CG TRP B 42 102.757 46.081 16.526 1.00 27.14 C ATOM 1274 CD1 TRP B 42 101.505 46.402 16.965 1.00 37.61 C ATOM 1275 CD2 TRP B 42 103.396 45.394 17.610 1.00 33.17 C ATOM 1276 NE1 TRP B 42 101.324 45.958 18.250 1.00 35.36 N ATOM 1277 CE2 TRP B 42 102.469 45.335 18.670 1.00 36.64 C ATOM 1278 CE3 TRP B 42 104.661 44.820 17.786 1.00 31.14 C ATOM 1279 CZ2 TRP B 42 102.768 44.734 19.891 1.00 33.70 C ATOM 1280 CZ3 TRP B 42 104.953 44.221 18.995 1.00 26.14 C ATOM 1281 CH2 TRP B 42 104.011 44.181 20.032 1.00 33.13 C ATOM 1282 HE1 TRP B 42 100.458 46.075 18.814 1.00 0.00 H ATOM 1283 H TRP B 42 101.281 44.106 14.518 1.00 0.00 H ATOM 1284 N LYS B 43 105.129 44.078 14.252 1.00 31.77 N ATOM 1285 CA LYS B 43 106.012 42.963 14.543 1.00 28.72 C ATOM 1286 C LYS B 43 107.115 43.404 15.502 1.00 26.05 C ATOM 1287 O LYS B 43 107.679 44.488 15.323 1.00 22.22 O ATOM 1288 CB LYS B 43 106.643 42.416 13.256 1.00 22.73 C ATOM 1289 H LYS B 43 105.540 44.956 13.876 1.00 0.00 H ATOM 1290 N PRO B 44 107.444 42.602 16.521 1.00 25.41 N ATOM 1291 CA PRO B 44 108.536 42.983 17.428 1.00 24.93 C ATOM 1292 C PRO B 44 109.872 43.048 16.705 1.00 22.95 C ATOM 1293 O PRO B 44 110.128 42.305 15.753 1.00 20.18 O ATOM 1294 CB PRO B 44 108.536 41.868 18.483 1.00 28.05 C ATOM 1295 CG PRO B 44 107.216 41.201 18.358 1.00 27.50 C ATOM 1296 CD PRO B 44 106.826 41.327 16.925 1.00 26.64 C ATOM 1297 N LYS B 45 110.739 43.937 17.187 1.00 20.84 N ATOM 1298 CA LYS B 45 112.079 44.072 16.636 1.00 16.94 C ATOM 1299 C LYS B 45 112.997 44.645 17.708 1.00 16.15 C ATOM 1300 O LYS B 45 112.552 45.303 18.652 1.00 17.54 O ATOM 1301 CB LYS B 45 112.088 44.963 15.382 1.00 19.93 C ATOM 1302 CG LYS B 45 113.422 44.993 14.648 1.00 19.28 C ATOM 1303 CD LYS B 45 113.355 45.792 13.363 1.00 27.66 C ATOM 1304 CE LYS B 45 114.642 45.626 12.559 1.00 30.96 C ATOM 1305 NZ LYS B 45 114.641 46.401 11.291 1.00 38.27 N ATOM 1306 HZ1 LYS B 45 113.852 46.084 10.693 1.00 0.00 H ATOM 1307 HZ2 LYS B 45 114.530 47.413 11.505 1.00 0.00 H ATOM 1308 HZ3 LYS B 45 115.540 46.247 10.791 1.00 0.00 H ATOM 1309 H LYS B 45 110.451 44.550 17.977 1.00 0.00 H ATOM 1310 N MET B 46 114.290 44.373 17.554 1.00 16.18 N ATOM 1311 CA MET B 46 115.319 44.950 18.407 1.00 16.63 C ATOM 1312 C MET B 46 116.349 45.634 17.519 1.00 19.26 C ATOM 1313 O MET B 46 116.771 45.075 16.500 1.00 18.61 O ATOM 1314 CB MET B 46 115.970 43.887 19.301 1.00 18.42 C ATOM 1315 CG MET B 46 115.331 43.802 20.698 1.00 17.48 C ATOM 1316 SD MET B 46 115.734 42.332 21.648 1.00 43.26 S ATOM 1317 CE MET B 46 117.229 42.868 22.492 1.00 24.16 C ATOM 1318 H MET B 46 114.577 43.723 16.795 1.00 0.00 H ATOM 1319 N ILE B 47 116.724 46.856 17.892 1.00 14.88 N ATOM 1320 CA ILE B 47 117.639 47.676 17.107 1.00 14.30 C ATOM 1321 C ILE B 47 118.767 48.120 18.023 1.00 14.59 C ATOM 1322 O ILE B 47 118.543 48.396 19.205 1.00 14.58 O ATOM 1323 CB ILE B 47 116.937 48.891 16.469 1.00 18.15 C ATOM 1324 CG1 ILE B 47 116.259 49.758 17.540 1.00 19.49 C ATOM 1325 CG2 ILE B 47 115.932 48.428 15.424 1.00 21.46 C ATOM 1326 CD1 ILE B 47 115.792 51.109 17.020 1.00 24.17 C ATOM 1327 H ILE B 47 116.348 47.242 18.781 1.00 0.00 H ATOM 1328 N GLY B 48 119.984 48.136 17.491 1.00 20.37 N ATOM 1329 CA GLY B 48 121.168 48.360 18.294 1.00 19.34 C ATOM 1330 C GLY B 48 121.920 49.604 17.868 1.00 17.31 C ATOM 1331 O GLY B 48 121.891 50.004 16.704 1.00 13.40 O ATOM 1332 H GLY B 48 120.090 47.983 16.468 1.00 0.00 H ATOM 1333 N GLY B 49 122.590 50.208 18.823 1.00 17.06 N ATOM 1334 CA GLY B 49 123.466 51.330 18.561 1.00 19.08 C ATOM 1335 C GLY B 49 124.412 51.454 19.726 1.00 17.38 C ATOM 1336 O GLY B 49 124.692 50.478 20.422 1.00 14.14 O ATOM 1337 H GLY B 49 122.487 49.868 19.801 1.00 0.00 H ATOM 1338 N ILE B 50 124.906 52.674 19.944 1.00 18.67 N ATOM 1339 CA ILE B 50 125.771 52.912 21.090 1.00 20.06 C ATOM 1340 C ILE B 50 124.974 52.644 22.358 1.00 19.79 C ATOM 1341 O ILE B 50 123.860 53.151 22.530 1.00 18.20 O ATOM 1342 CB ILE B 50 126.338 54.340 21.047 1.00 17.57 C ATOM 1343 CG1 ILE B 50 127.401 54.437 19.949 1.00 19.04 C ATOM 1344 CG2 ILE B 50 126.925 54.733 22.398 1.00 17.10 C ATOM 1345 CD1 ILE B 50 127.887 55.844 19.667 1.00 18.06 C ATOM 1346 H ILE B 50 124.673 53.454 19.296 1.00 0.00 H ATOM 1347 N GLY B 51 125.532 51.816 23.237 1.00 18.94 N ATOM 1348 CA GLY B 51 124.893 51.447 24.478 1.00 24.59 C ATOM 1349 C GLY B 51 124.185 50.106 24.455 1.00 24.61 C ATOM 1350 O GLY B 51 123.913 49.551 25.525 1.00 23.72 O ATOM 1351 H GLY B 51 126.468 51.418 23.021 1.00 0.00 H ATOM 1352 N GLY B 52 123.875 49.569 23.274 1.00 20.58 N ATOM 1353 CA GLY B 52 123.184 48.296 23.168 1.00 26.02 C ATOM 1354 C GLY B 52 121.899 48.420 22.354 1.00 18.08 C ATOM 1355 O GLY B 52 121.800 49.238 21.443 1.00 14.70 O ATOM 1356 H GLY B 52 124.136 50.076 22.404 1.00 0.00 H ATOM 1357 N PHE B 53 120.919 47.587 22.718 1.00 19.96 N ATOM 1358 CA PHE B 53 119.682 47.435 21.962 1.00 18.09 C ATOM 1359 C PHE B 53 118.476 47.926 22.756 1.00 20.53 C ATOM 1360 O PHE B 53 118.460 47.874 23.990 1.00 16.20 O ATOM 1361 CB PHE B 53 119.456 45.965 21.582 1.00 20.00 C ATOM 1362 CG PHE B 53 120.406 45.449 20.538 1.00 19.96 C ATOM 1363 CD1 PHE B 53 121.716 45.152 20.864 1.00 23.33 C ATOM 1364 CD2 PHE B 53 119.982 45.254 19.231 1.00 16.87 C ATOM 1365 CE1 PHE B 53 122.592 44.673 19.910 1.00 15.43 C ATOM 1366 CE2 PHE B 53 120.852 44.780 18.267 1.00 17.18 C ATOM 1367 CZ PHE B 53 122.167 44.489 18.612 1.00 19.97 C ATOM 1368 H PHE B 53 121.045 47.021 23.581 1.00 0.00 H ATOM 1369 N ILE B 54 117.454 48.387 22.027 1.00 14.43 N ATOM 1370 CA ILE B 54 116.136 48.653 22.592 1.00 15.09 C ATOM 1371 C ILE B 54 115.114 47.841 21.807 1.00 21.59 C ATOM 1372 O ILE B 54 115.318 47.515 20.631 1.00 16.34 O ATOM 1373 CB ILE B 54 115.748 50.153 22.583 1.00 19.71 C ATOM 1374 CG1 ILE B 54 115.728 50.726 21.161 1.00 18.23 C ATOM 1375 CG2 ILE B 54 116.688 50.959 23.473 1.00 22.53 C ATOM 1376 CD1 ILE B 54 115.097 52.115 21.074 1.00 22.15 C ATOM 1377 H ILE B 54 117.606 48.563 21.013 1.00 0.00 H ATOM 1378 N LYS B 55 114.007 47.517 22.471 1.00 15.34 N ATOM 1379 CA LYS B 55 112.891 46.831 21.833 1.00 14.36 C ATOM 1380 C LYS B 55 111.923 47.852 21.257 1.00 17.17 C ATOM 1381 O LYS B 55 111.585 48.845 21.912 1.00 14.98 O ATOM 1382 CB LYS B 55 112.165 45.919 22.830 1.00 18.58 C ATOM 1383 CG LYS B 55 111.117 44.998 22.182 1.00 28.51 C ATOM 1384 CD LYS B 55 110.722 43.818 23.077 1.00 36.13 C ATOM 1385 CE LYS B 55 109.551 44.155 24.000 1.00 47.66 C ATOM 1386 NZ LYS B 55 109.005 42.950 24.699 1.00 51.60 N ATOM 1387 HZ1 LYS B 55 108.669 42.264 23.993 1.00 0.00 H ATOM 1388 HZ2 LYS B 55 109.754 42.517 25.277 1.00 0.00 H ATOM 1389 HZ3 LYS B 55 108.214 43.235 25.311 1.00 0.00 H ATOM 1390 H LYS B 55 113.936 47.762 23.479 1.00 0.00 H ATOM 1391 N VAL B 56 111.470 47.598 20.029 1.00 17.68 N ATOM 1392 CA VAL B 56 110.583 48.508 19.320 1.00 14.68 C ATOM 1393 C VAL B 56 109.495 47.707 18.618 1.00 16.94 C ATOM 1394 O VAL B 56 109.583 46.491 18.457 1.00 14.54 O ATOM 1395 CB VAL B 56 111.331 49.383 18.289 1.00 17.36 C ATOM 1396 CG1 VAL B 56 112.373 50.257 18.978 1.00 18.39 C ATOM 1397 CG2 VAL B 56 111.974 48.515 17.210 1.00 17.50 C ATOM 1398 H VAL B 56 111.761 46.717 19.560 1.00 0.00 H ATOM 1399 N ARG B 57 108.465 48.423 18.185 1.00 21.22 N ATOM 1400 CA ARG B 57 107.363 47.857 17.422 1.00 18.48 C ATOM 1401 C ARG B 57 107.481 48.332 15.982 1.00 19.35 C ATOM 1402 O ARG B 57 107.581 49.536 15.731 1.00 17.97 O ATOM 1403 CB ARG B 57 106.018 48.278 18.019 1.00 17.71 C ATOM 1404 CG ARG B 57 105.897 47.965 19.498 1.00 25.41 C ATOM 1405 CD ARG B 57 104.455 48.046 20.012 1.00 31.98 C ATOM 1406 NE ARG B 57 103.854 49.373 19.885 1.00 29.56 N ATOM 1407 CZ ARG B 57 104.128 50.405 20.683 1.00 38.16 C ATOM 1408 NH1 ARG B 57 105.010 50.278 21.669 1.00 40.36 N ATOM 1409 NH2 ARG B 57 103.523 51.573 20.494 1.00 34.86 N ATOM 1410 HE ARG B 57 103.166 49.522 19.120 1.00 0.00 H ATOM 1411 HH12 ARG B 57 105.219 51.088 22.288 1.00 0.00 H ATOM 1412 HH11 ARG B 57 105.492 49.369 21.822 1.00 0.00 H ATOM 1413 HH22 ARG B 57 103.738 52.377 21.118 1.00 0.00 H ATOM 1414 HH21 ARG B 57 102.834 51.683 19.722 1.00 0.00 H ATOM 1415 H ARG B 57 108.444 49.440 18.402 1.00 0.00 H ATOM 1416 N GLN B 58 107.499 47.392 15.044 1.00 21.71 N ATOM 1417 CA GLN B 58 107.671 47.714 13.634 1.00 21.91 C ATOM 1418 C GLN B 58 106.301 47.791 12.974 1.00 28.76 C ATOM 1419 O GLN B 58 105.587 46.785 12.885 1.00 25.44 O ATOM 1420 CB GLN B 58 108.550 46.689 12.927 1.00 21.28 C ATOM 1421 CG GLN B 58 108.536 46.823 11.407 1.00 21.87 C ATOM 1422 CD GLN B 58 109.446 45.835 10.717 1.00 30.88 C ATOM 1423 OE1 GLN B 58 110.219 45.126 11.362 1.00 33.95 O ATOM 1424 NE2 GLN B 58 109.359 45.782 9.389 1.00 33.29 N ATOM 1425 HE22 GLN B 58 108.691 46.401 8.887 1.00 0.00 H ATOM 1426 HE21 GLN B 58 109.959 45.122 8.854 1.00 0.00 H ATOM 1427 H GLN B 58 107.387 46.397 15.324 1.00 0.00 H ATOM 1428 N TYR B 59 105.943 48.986 12.524 1.00 24.52 N ATOM 1429 CA TYR B 59 104.771 49.205 11.690 1.00 25.61 C ATOM 1430 C TYR B 59 105.231 49.427 10.255 1.00 33.01 C ATOM 1431 O TYR B 59 106.251 50.081 10.012 1.00 24.02 O ATOM 1432 CB TYR B 59 103.973 50.412 12.181 1.00 23.84 C ATOM 1433 CG TYR B 59 103.404 50.277 13.580 1.00 31.69 C ATOM 1434 CD1 TYR B 59 104.176 50.569 14.693 1.00 27.53 C ATOM 1435 CD2 TYR B 59 102.086 49.883 13.782 1.00 34.71 C ATOM 1436 CE1 TYR B 59 103.663 50.458 15.973 1.00 24.01 C ATOM 1437 CE2 TYR B 59 101.561 49.766 15.055 1.00 30.88 C ATOM 1438 CZ TYR B 59 102.352 50.055 16.148 1.00 35.59 C ATOM 1439 OH TYR B 59 101.832 49.942 17.418 1.00 34.49 O ATOM 1440 HH TYR B 59 101.058 50.552 17.512 1.00 0.00 H ATOM 1441 H TYR B 59 106.528 49.807 12.780 1.00 0.00 H ATOM 1442 N ASP B 60 104.485 48.875 9.304 1.00 27.41 N ATOM 1443 CA ASP B 60 104.858 48.952 7.900 1.00 27.72 C ATOM 1444 C ASP B 60 103.860 49.803 7.127 1.00 25.21 C ATOM 1445 O ASP B 60 102.692 49.922 7.504 1.00 32.30 O ATOM 1446 CB ASP B 60 104.946 47.555 7.284 1.00 40.54 C ATOM 1447 CG ASP B 60 106.002 46.693 7.954 1.00 38.69 C ATOM 1448 OD1 ASP B 60 107.124 47.197 8.187 1.00 35.11 O ATOM 1449 OD2 ASP B 60 105.705 45.520 8.259 1.00 39.04 O ATOM 1450 H ASP B 60 103.613 48.375 9.570 1.00 0.00 H ATOM 1451 N GLN B 61 104.344 50.411 6.047 1.00 30.72 N ATOM 1452 CA GLN B 61 103.513 51.238 5.169 1.00 33.15 C ATOM 1453 C GLN B 61 102.822 52.359 5.941 1.00 25.98 C ATOM 1454 O GLN B 61 101.620 52.590 5.805 1.00 27.59 O ATOM 1455 CB GLN B 61 102.488 50.376 4.425 1.00 38.67 C ATOM 1456 CG GLN B 61 103.124 49.363 3.494 1.00 29.10 C ATOM 1457 CD GLN B 61 104.064 50.017 2.501 1.00 42.58 C ATOM 1458 OE1 GLN B 61 105.271 49.771 2.511 1.00 51.06 O ATOM 1459 NE2 GLN B 61 103.515 50.871 1.645 1.00 45.46 N ATOM 1460 HE22 GLN B 61 102.491 51.049 1.672 1.00 0.00 H ATOM 1461 HE21 GLN B 61 104.109 51.362 0.947 1.00 0.00 H ATOM 1462 H GLN B 61 105.352 50.294 5.817 1.00 0.00 H ATOM 1463 N ILE B 62 103.600 53.072 6.746 1.00 27.57 N ATOM 1464 CA ILE B 62 103.103 54.222 7.493 1.00 27.75 C ATOM 1465 C ILE B 62 103.386 55.478 6.686 1.00 27.28 C ATOM 1466 O ILE B 62 104.470 55.630 6.119 1.00 33.63 O ATOM 1467 CB ILE B 62 103.758 54.302 8.885 1.00 29.08 C ATOM 1468 CG1 ILE B 62 103.463 53.028 9.693 1.00 28.51 C ATOM 1469 CG2 ILE B 62 103.296 55.555 9.631 1.00 29.74 C ATOM 1470 CD1 ILE B 62 101.999 52.829 10.043 1.00 28.68 C ATOM 1471 H ILE B 62 104.599 52.801 6.848 1.00 0.00 H ATOM 1472 N LEU B 63 102.416 56.389 6.650 1.00 26.92 N ATOM 1473 CA LEU B 63 102.538 57.634 5.903 1.00 35.43 C ATOM 1474 C LEU B 63 103.142 58.720 6.787 1.00 20.82 C ATOM 1475 O LEU B 63 102.643 58.991 7.882 1.00 30.31 O ATOM 1476 CB LEU B 63 101.173 58.076 5.380 1.00 30.81 C ATOM 1477 H LEU B 63 101.537 56.205 7.175 1.00 0.00 H ATOM 1478 N ILE B 64 104.223 59.328 6.314 1.00 27.41 N ATOM 1479 CA ILE B 64 104.911 60.386 7.044 1.00 29.70 C ATOM 1480 C ILE B 64 105.138 61.547 6.093 1.00 30.57 C ATOM 1481 O ILE B 64 105.470 61.346 4.920 1.00 31.57 O ATOM 1482 CB ILE B 64 106.251 59.906 7.643 1.00 33.47 C ATOM 1483 CG1 ILE B 64 106.000 59.015 8.859 1.00 34.43 C ATOM 1484 CG2 ILE B 64 107.117 61.095 8.050 1.00 35.39 C ATOM 1485 CD1 ILE B 64 107.264 58.460 9.494 1.00 31.36 C ATOM 1486 H ILE B 64 104.594 59.038 5.386 1.00 0.00 H ATOM 1487 N GLU B 65 104.957 62.761 6.600 1.00 25.13 N ATOM 1488 CA GLU B 65 105.249 63.975 5.852 1.00 28.27 C ATOM 1489 C GLU B 65 106.393 64.707 6.543 1.00 23.90 C ATOM 1490 O GLU B 65 106.289 65.048 7.725 1.00 24.31 O ATOM 1491 CB GLU B 65 104.011 64.864 5.749 1.00 28.49 C ATOM 1492 CG GLU B 65 104.199 66.055 4.840 1.00 25.36 C ATOM 1493 CD GLU B 65 102.907 66.811 4.609 1.00 24.25 C ATOM 1494 OE1 GLU B 65 101.882 66.157 4.327 1.00 24.05 O ATOM 1495 OE2 GLU B 65 102.916 68.052 4.715 1.00 24.63 O ATOM 1496 H GLU B 65 104.592 62.848 7.570 1.00 0.00 H ATOM 1497 N ILE B 66 107.473 64.945 5.802 1.00 25.72 N ATOM 1498 CA ILE B 66 108.700 65.546 6.321 1.00 29.11 C ATOM 1499 C ILE B 66 108.944 66.822 5.525 1.00 31.62 C ATOM 1500 O ILE B 66 109.348 66.762 4.356 1.00 29.88 O ATOM 1501 CB ILE B 66 109.897 64.589 6.205 1.00 30.65 C ATOM 1502 CG1 ILE B 66 109.619 63.285 6.947 1.00 29.87 C ATOM 1503 CG2 ILE B 66 111.173 65.223 6.753 1.00 34.38 C ATOM 1504 CD1 ILE B 66 110.368 62.099 6.391 1.00 29.05 C ATOM 1505 H ILE B 66 107.442 64.688 4.795 1.00 0.00 H ATOM 1506 N CYS B 67 108.708 67.976 6.152 1.00 37.22 N ATOM 1507 CA CYS B 67 108.866 69.273 5.485 1.00 26.43 C ATOM 1508 C CYS B 67 108.032 69.345 4.213 1.00 35.05 C ATOM 1509 O CYS B 67 108.490 69.820 3.171 1.00 39.44 O ATOM 1510 CB CYS B 67 110.333 69.559 5.158 1.00 44.59 C ATOM 1511 SG CYS B 67 111.400 69.706 6.571 1.00 43.03 S ATOM 1512 H CYS B 67 108.402 67.955 7.146 1.00 0.00 H ATOM 1513 N GLY B 68 106.794 68.868 4.288 1.00 35.80 N ATOM 1514 CA GLY B 68 105.939 68.872 3.124 1.00 36.93 C ATOM 1515 C GLY B 68 106.232 67.785 2.117 1.00 30.42 C ATOM 1516 O GLY B 68 105.497 67.667 1.128 1.00 36.83 O ATOM 1517 H GLY B 68 106.439 68.490 5.189 1.00 0.00 H ATOM 1518 N HIS B 69 107.276 66.989 2.329 1.00 29.74 N ATOM 1519 CA HIS B 69 107.579 65.861 1.458 1.00 24.59 C ATOM 1520 C HIS B 69 106.942 64.605 2.038 1.00 29.30 C ATOM 1521 O HIS B 69 107.247 64.211 3.168 1.00 30.32 O ATOM 1522 CB HIS B 69 109.088 65.678 1.304 1.00 33.32 C ATOM 1523 CG HIS B 69 109.768 66.832 0.634 1.00 29.24 C ATOM 1524 ND1 HIS B 69 110.285 66.754 -0.641 1.00 28.33 N ATOM 1525 CD2 HIS B 69 110.010 68.095 1.061 1.00 29.12 C ATOM 1526 CE1 HIS B 69 110.828 67.915 -0.966 1.00 28.76 C ATOM 1527 NE2 HIS B 69 110.669 68.747 0.048 1.00 27.56 N ATOM 1528 H HIS B 69 107.896 67.178 3.142 1.00 0.00 H ATOM 1529 N LYS B 70 106.067 63.977 1.263 1.00 29.25 N ATOM 1530 CA LYS B 70 105.375 62.783 1.720 1.00 29.14 C ATOM 1531 C LYS B 70 106.222 61.542 1.484 1.00 24.51 C ATOM 1532 O LYS B 70 106.960 61.437 0.501 1.00 27.08 O ATOM 1533 CB LYS B 70 104.032 62.639 1.006 1.00 22.87 C ATOM 1534 CG LYS B 70 103.010 63.692 1.405 1.00 35.55 C ATOM 1535 CD LYS B 70 101.620 63.349 0.892 1.00 33.67 C ATOM 1536 CE LYS B 70 100.604 64.417 1.260 1.00 26.53 C ATOM 1537 NZ LYS B 70 100.743 65.638 0.419 1.00 39.26 N ATOM 1538 HZ1 LYS B 70 101.694 66.038 0.546 1.00 0.00 H ATOM 1539 HZ2 LYS B 70 100.602 65.387 -0.580 1.00 0.00 H ATOM 1540 HZ3 LYS B 70 100.030 66.338 0.706 1.00 0.00 H ATOM 1541 H LYS B 70 105.873 64.346 0.310 1.00 0.00 H ATOM 1542 N ALA B 71 106.107 60.594 2.410 1.00 29.75 N ATOM 1543 CA ALA B 71 106.786 59.313 2.296 1.00 31.34 C ATOM 1544 C ALA B 71 105.915 58.257 2.954 1.00 33.71 C ATOM 1545 O ALA B 71 104.986 58.569 3.707 1.00 35.78 O ATOM 1546 CB ALA B 71 108.175 59.333 2.944 1.00 30.79 C ATOM 1547 H ALA B 71 105.512 60.775 3.243 1.00 0.00 H ATOM 1548 N ILE B 72 106.214 57.000 2.650 1.00 30.02 N ATOM 1549 CA ILE B 72 105.473 55.892 3.238 1.00 26.48 C ATOM 1550 C ILE B 72 106.405 54.695 3.339 1.00 20.23 C ATOM 1551 O ILE B 72 107.030 54.290 2.355 1.00 27.29 O ATOM 1552 CB ILE B 72 104.198 55.564 2.433 1.00 32.79 C ATOM 1553 CG1 ILE B 72 103.503 54.328 3.015 1.00 39.52 C ATOM 1554 CG2 ILE B 72 104.526 55.365 0.963 1.00 38.57 C ATOM 1555 CD1 ILE B 72 102.043 54.210 2.608 1.00 39.54 C ATOM 1556 H ILE B 72 106.988 56.803 1.983 1.00 0.00 H ATOM 1557 N GLY B 73 106.511 54.140 4.537 1.00 31.21 N ATOM 1558 CA GLY B 73 107.423 53.036 4.749 1.00 26.47 C ATOM 1559 C GLY B 73 107.424 52.605 6.195 1.00 17.81 C ATOM 1560 O GLY B 73 106.497 52.902 6.950 1.00 22.19 O ATOM 1561 H GLY B 73 105.938 54.498 5.327 1.00 0.00 H ATOM 1562 N THR B 74 108.493 51.910 6.571 1.00 21.32 N ATOM 1563 CA THR B 74 108.582 51.324 7.901 1.00 25.00 C ATOM 1564 C THR B 74 108.852 52.401 8.944 1.00 22.39 C ATOM 1565 O THR B 74 109.689 53.287 8.742 1.00 22.53 O ATOM 1566 CB THR B 74 109.682 50.261 7.929 1.00 27.25 C ATOM 1567 OG1 THR B 74 109.316 49.168 7.071 1.00 30.31 O ATOM 1568 CG2 THR B 74 109.889 49.722 9.329 1.00 26.23 C ATOM 1569 HG1 THR B 74 108.466 48.772 7.388 1.00 0.00 H ATOM 1570 H THR B 74 109.280 51.783 5.903 1.00 0.00 H ATOM 1571 N VAL B 75 108.135 52.325 10.062 1.00 23.99 N ATOM 1572 CA VAL B 75 108.357 53.199 11.207 1.00 18.74 C ATOM 1573 C VAL B 75 108.421 52.328 12.455 1.00 22.16 C ATOM 1574 O VAL B 75 107.470 51.596 12.754 1.00 19.95 O ATOM 1575 CB VAL B 75 107.256 54.265 11.338 1.00 26.02 C ATOM 1576 CG1 VAL B 75 107.449 55.098 12.606 1.00 24.31 C ATOM 1577 CG2 VAL B 75 107.252 55.153 10.108 1.00 25.82 C ATOM 1578 H VAL B 75 107.382 51.610 10.122 1.00 0.00 H ATOM 1579 N LEU B 76 109.540 52.400 13.174 1.00 16.04 N ATOM 1580 CA LEU B 76 109.722 51.674 14.422 1.00 20.53 C ATOM 1581 C LEU B 76 109.343 52.579 15.589 1.00 23.59 C ATOM 1582 O LEU B 76 109.758 53.739 15.640 1.00 23.63 O ATOM 1583 CB LEU B 76 111.172 51.201 14.564 1.00 16.52 C ATOM 1584 CG LEU B 76 111.761 50.431 13.377 1.00 15.15 C ATOM 1585 CD1 LEU B 76 113.201 50.037 13.669 1.00 18.85 C ATOM 1586 CD2 LEU B 76 110.935 49.197 13.037 1.00 16.52 C ATOM 1587 H LEU B 76 110.316 53.000 12.829 1.00 0.00 H ATOM 1588 N VAL B 77 108.562 52.044 16.526 1.00 16.11 N ATOM 1589 CA VAL B 77 108.074 52.790 17.682 1.00 14.91 C ATOM 1590 C VAL B 77 108.569 52.108 18.947 1.00 16.40 C ATOM 1591 O VAL B 77 108.406 50.893 19.111 1.00 16.40 O ATOM 1592 CB VAL B 77 106.537 52.886 17.685 1.00 21.44 C ATOM 1593 CG1 VAL B 77 106.042 53.603 18.940 1.00 23.60 C ATOM 1594 CG2 VAL B 77 106.052 53.598 16.433 1.00 20.35 C ATOM 1595 H VAL B 77 108.286 51.046 16.429 1.00 0.00 H ATOM 1596 N GLY B 78 109.161 52.888 19.843 1.00 19.92 N ATOM 1597 CA GLY B 78 109.699 52.352 21.071 1.00 21.58 C ATOM 1598 C GLY B 78 110.275 53.426 21.966 1.00 23.79 C ATOM 1599 O GLY B 78 110.164 54.622 21.685 1.00 22.94 O ATOM 1600 H GLY B 78 109.239 53.908 19.656 1.00 0.00 H ATOM 1601 N PRO B 79 110.902 53.017 23.077 1.00 23.06 N ATOM 1602 CA PRO B 79 111.463 53.980 24.042 1.00 26.16 C ATOM 1603 C PRO B 79 112.783 54.581 23.569 1.00 27.21 C ATOM 1604 O PRO B 79 113.828 54.449 24.210 1.00 26.28 O ATOM 1605 CB PRO B 79 111.625 53.121 25.301 1.00 25.46 C ATOM 1606 CG PRO B 79 111.879 51.749 24.780 1.00 22.79 C ATOM 1607 CD PRO B 79 111.031 51.624 23.548 1.00 25.01 C ATOM 1608 N THR B 80 112.738 55.247 22.434 1.00 24.68 N ATOM 1609 CA THR B 80 113.952 55.867 21.925 1.00 23.95 C ATOM 1610 C THR B 80 114.155 57.232 22.584 1.00 19.90 C ATOM 1611 O THR B 80 113.187 57.961 22.815 1.00 20.87 O ATOM 1612 CB THR B 80 113.893 56.031 20.407 1.00 26.50 C ATOM 1613 OG1 THR B 80 115.060 56.734 19.959 1.00 21.45 O ATOM 1614 CG2 THR B 80 112.643 56.804 19.977 1.00 21.14 C ATOM 1615 HG1 THR B 80 115.022 56.841 18.975 1.00 0.00 H ATOM 1616 H THR B 80 111.845 55.329 21.907 1.00 0.00 H ATOM 1617 N PRO B 81 115.394 57.596 22.917 1.00 21.16 N ATOM 1618 CA PRO B 81 115.625 58.935 23.481 1.00 27.35 C ATOM 1619 C PRO B 81 115.338 60.058 22.502 1.00 27.96 C ATOM 1620 O PRO B 81 115.154 61.203 22.938 1.00 26.60 O ATOM 1621 CB PRO B 81 117.108 58.904 23.877 1.00 31.29 C ATOM 1622 CG PRO B 81 117.707 57.822 23.052 1.00 27.60 C ATOM 1623 CD PRO B 81 116.626 56.792 22.885 1.00 22.76 C ATOM 1624 N VAL B 82 115.283 59.776 21.199 1.00 24.60 N ATOM 1625 CA VAL B 82 115.078 60.814 20.193 1.00 28.87 C ATOM 1626 C VAL B 82 114.380 60.206 18.983 1.00 19.38 C ATOM 1627 O VAL B 82 114.557 59.026 18.662 1.00 21.70 O ATOM 1628 CB VAL B 82 116.417 61.480 19.782 1.00 34.28 C ATOM 1629 CG1 VAL B 82 116.223 62.418 18.587 1.00 34.67 C ATOM 1630 CG2 VAL B 82 117.010 62.261 20.948 1.00 31.89 C ATOM 1631 H VAL B 82 115.389 58.788 20.891 1.00 0.00 H ATOM 1632 N ASN B 83 113.583 61.031 18.311 1.00 18.89 N ATOM 1633 CA ASN B 83 112.953 60.644 17.056 1.00 22.55 C ATOM 1634 C ASN B 83 113.943 60.838 15.914 1.00 21.80 C ATOM 1635 O ASN B 83 114.514 61.925 15.764 1.00 15.26 O ATOM 1636 CB ASN B 83 111.706 61.487 16.802 1.00 21.19 C ATOM 1637 CG ASN B 83 110.661 61.338 17.888 1.00 28.67 C ATOM 1638 OD1 ASN B 83 110.576 60.306 18.559 1.00 31.20 O ATOM 1639 ND2 ASN B 83 109.854 62.371 18.063 1.00 24.86 N ATOM 1640 HD22 ASN B 83 109.962 63.221 17.474 1.00 0.00 H ATOM 1641 HD21 ASN B 83 109.111 62.333 18.790 1.00 0.00 H ATOM 1642 H ASN B 83 113.404 61.982 18.693 1.00 0.00 H ATOM 1643 N VAL B 84 114.146 59.795 15.106 1.00 14.32 N ATOM 1644 CA VAL B 84 115.060 59.870 13.974 1.00 20.51 C ATOM 1645 C VAL B 84 114.357 59.389 12.713 1.00 18.61 C ATOM 1646 O VAL B 84 113.691 58.344 12.714 1.00 14.85 O ATOM 1647 CB VAL B 84 116.357 59.075 14.223 1.00 20.98 C ATOM 1648 CG1 VAL B 84 117.111 59.679 15.397 1.00 20.83 C ATOM 1649 CG2 VAL B 84 116.065 57.609 14.476 1.00 23.18 C ATOM 1650 H VAL B 84 113.639 58.906 15.289 1.00 0.00 H ATOM 1651 N ILE B 85 114.477 60.178 11.652 1.00 14.00 N ATOM 1652 CA ILE B 85 114.112 59.743 10.311 1.00 13.60 C ATOM 1653 C ILE B 85 115.324 59.050 9.703 1.00 17.43 C ATOM 1654 O ILE B 85 116.391 59.660 9.542 1.00 14.79 O ATOM 1655 CB ILE B 85 113.659 60.926 9.442 1.00 14.79 C ATOM 1656 CG1 ILE B 85 112.555 61.726 10.145 1.00 17.52 C ATOM 1657 CG2 ILE B 85 113.204 60.433 8.082 1.00 17.33 C ATOM 1658 CD1 ILE B 85 111.319 60.921 10.511 1.00 23.83 C ATOM 1659 H ILE B 85 114.845 61.142 11.783 1.00 0.00 H ATOM 1660 N GLY B 86 115.163 57.772 9.365 1.00 15.63 N ATOM 1661 CA GLY B 86 116.241 56.973 8.830 1.00 13.70 C ATOM 1662 C GLY B 86 116.248 56.937 7.309 1.00 12.91 C ATOM 1663 O GLY B 86 115.403 57.510 6.630 1.00 15.59 O ATOM 1664 H GLY B 86 114.228 57.334 9.491 1.00 0.00 H ATOM 1665 N ARG B 87 117.237 56.218 6.779 1.00 14.57 N ATOM 1666 CA ARG B 87 117.441 56.197 5.335 1.00 16.37 C ATOM 1667 C ARG B 87 116.237 55.633 4.588 1.00 16.74 C ATOM 1668 O ARG B 87 115.987 56.031 3.443 1.00 19.47 O ATOM 1669 CB ARG B 87 118.688 55.390 4.992 1.00 13.33 C ATOM 1670 CG ARG B 87 119.977 55.996 5.527 1.00 18.34 C ATOM 1671 CD ARG B 87 121.198 55.253 5.022 1.00 18.46 C ATOM 1672 NE ARG B 87 121.287 53.898 5.552 1.00 19.45 N ATOM 1673 CZ ARG B 87 120.935 52.794 4.897 1.00 22.37 C ATOM 1674 NH1 ARG B 87 120.449 52.855 3.666 1.00 16.96 N ATOM 1675 NH2 ARG B 87 121.070 51.613 5.484 1.00 21.11 N ATOM 1676 HE ARG B 87 121.655 53.785 6.518 1.00 0.00 H ATOM 1677 HH12 ARG B 87 120.179 51.982 3.170 1.00 0.00 H ATOM 1678 HH11 ARG B 87 120.337 53.776 3.196 1.00 0.00 H ATOM 1679 HH22 ARG B 87 120.797 50.746 4.978 1.00 0.00 H ATOM 1680 HH21 ARG B 87 121.449 51.553 6.451 1.00 0.00 H ATOM 1681 H ARG B 87 117.867 55.669 7.398 1.00 0.00 H ATOM 1682 N ASN B 88 115.491 54.703 5.198 1.00 17.21 N ATOM 1683 CA ASN B 88 114.327 54.135 4.517 1.00 17.62 C ATOM 1684 C ASN B 88 113.342 55.210 4.071 1.00 22.13 C ATOM 1685 O ASN B 88 112.670 55.049 3.047 1.00 23.00 O ATOM 1686 CB ASN B 88 113.619 53.108 5.415 1.00 16.64 C ATOM 1687 CG ASN B 88 112.874 53.740 6.583 1.00 21.10 C ATOM 1688 OD1 ASN B 88 113.433 54.519 7.357 1.00 18.13 O ATOM 1689 ND2 ASN B 88 111.598 53.388 6.720 1.00 21.01 N ATOM 1690 HD22 ASN B 88 111.165 52.727 6.044 1.00 0.00 H ATOM 1691 HD21 ASN B 88 111.033 53.774 7.504 1.00 0.00 H ATOM 1692 H ASN B 88 115.739 54.384 6.156 1.00 0.00 H ATOM 1693 N LEU B 89 113.238 56.312 4.813 1.00 17.68 N ATOM 1694 CA LEU B 89 112.384 57.420 4.399 1.00 21.14 C ATOM 1695 C LEU B 89 113.153 58.594 3.811 1.00 20.57 C ATOM 1696 O LEU B 89 112.582 59.343 3.008 1.00 19.12 O ATOM 1697 CB LEU B 89 111.544 57.923 5.581 1.00 19.47 C ATOM 1698 CG LEU B 89 110.643 56.869 6.233 1.00 19.29 C ATOM 1699 CD1 LEU B 89 109.820 57.506 7.327 1.00 26.50 C ATOM 1700 CD2 LEU B 89 109.739 56.194 5.210 1.00 21.89 C ATOM 1701 H LEU B 89 113.774 56.383 5.701 1.00 0.00 H ATOM 1702 N LEU B 90 114.422 58.779 4.185 1.00 16.67 N ATOM 1703 CA LEU B 90 115.192 59.887 3.625 1.00 16.94 C ATOM 1704 C LEU B 90 115.375 59.730 2.120 1.00 18.26 C ATOM 1705 O LEU B 90 115.380 60.725 1.383 1.00 20.41 O ATOM 1706 CB LEU B 90 116.550 59.991 4.318 1.00 13.90 C ATOM 1707 CG LEU B 90 116.577 60.353 5.799 1.00 13.36 C ATOM 1708 CD1 LEU B 90 117.986 60.138 6.351 1.00 15.60 C ATOM 1709 CD2 LEU B 90 116.141 61.778 6.014 1.00 15.13 C ATOM 1710 H LEU B 90 114.861 58.135 4.874 1.00 0.00 H ATOM 1711 N THR B 91 115.557 58.494 1.648 1.00 18.74 N ATOM 1712 CA THR B 91 115.626 58.253 0.209 1.00 20.74 C ATOM 1713 C THR B 91 114.366 58.739 -0.487 1.00 25.33 C ATOM 1714 O THR B 91 114.429 59.279 -1.597 1.00 27.77 O ATOM 1715 CB THR B 91 115.830 56.763 -0.074 1.00 23.21 C ATOM 1716 OG1 THR B 91 114.802 56.005 0.579 1.00 20.44 O ATOM 1717 CG2 THR B 91 117.192 56.298 0.400 1.00 21.02 C ATOM 1718 HG1 THR B 91 114.846 56.164 1.555 1.00 0.00 H ATOM 1719 H THR B 91 115.650 57.697 2.310 1.00 0.00 H ATOM 1720 N GLN B 92 113.211 58.567 0.159 1.00 28.33 N ATOM 1721 CA GLN B 92 111.935 58.856 -0.477 1.00 22.18 C ATOM 1722 C GLN B 92 111.658 60.350 -0.596 1.00 32.89 C ATOM 1723 O GLN B 92 110.786 60.742 -1.379 1.00 27.61 O ATOM 1724 CB GLN B 92 110.811 58.176 0.300 1.00 26.23 C ATOM 1725 CG GLN B 92 110.886 56.655 0.265 1.00 29.21 C ATOM 1726 CD GLN B 92 109.688 55.994 0.918 1.00 33.10 C ATOM 1727 OE1 GLN B 92 108.563 56.476 0.811 1.00 26.75 O ATOM 1728 NE2 GLN B 92 109.929 54.883 1.608 1.00 29.63 N ATOM 1729 HE22 GLN B 92 110.898 54.510 1.672 1.00 0.00 H ATOM 1730 HE21 GLN B 92 109.149 54.387 2.084 1.00 0.00 H ATOM 1731 H GLN B 92 113.223 58.219 1.139 1.00 0.00 H ATOM 1732 N ILE B 93 112.363 61.189 0.163 1.00 22.97 N ATOM 1733 CA ILE B 93 112.213 62.636 0.046 1.00 23.58 C ATOM 1734 C ILE B 93 113.363 63.259 -0.738 1.00 21.87 C ATOM 1735 O ILE B 93 113.456 64.486 -0.826 1.00 27.98 O ATOM 1736 CB ILE B 93 112.057 63.291 1.430 1.00 24.91 C ATOM 1737 CG1 ILE B 93 113.333 63.144 2.263 1.00 25.48 C ATOM 1738 CG2 ILE B 93 110.867 62.676 2.164 1.00 25.42 C ATOM 1739 CD1 ILE B 93 113.337 63.996 3.513 1.00 25.15 C ATOM 1740 H ILE B 93 113.036 60.803 0.855 1.00 0.00 H ATOM 1741 N GLY B 94 114.238 62.439 -1.316 1.00 24.58 N ATOM 1742 CA GLY B 94 115.321 62.948 -2.134 1.00 30.45 C ATOM 1743 C GLY B 94 116.504 63.481 -1.364 1.00 28.35 C ATOM 1744 O GLY B 94 117.282 64.263 -1.917 1.00 24.50 O ATOM 1745 H GLY B 94 114.143 61.413 -1.178 1.00 0.00 H ATOM 1746 N CYS B 95 116.674 63.073 -0.108 1.00 23.36 N ATOM 1747 CA CYS B 95 117.727 63.618 0.737 1.00 23.80 C ATOM 1748 C CYS B 95 119.084 63.021 0.385 1.00 24.36 C ATOM 1749 O CYS B 95 119.230 61.797 0.282 1.00 23.89 O ATOM 1750 CB CYS B 95 117.400 63.359 2.207 1.00 25.52 C ATOM 1751 SG CYS B 95 118.492 64.234 3.342 1.00 20.91 S ATOM 1752 H CYS B 95 116.038 62.347 0.279 1.00 0.00 H ATOM 1753 N THR B 96 120.078 63.892 0.215 1.00 17.42 N ATOM 1754 CA THR B 96 121.452 63.491 -0.045 1.00 20.45 C ATOM 1755 C THR B 96 122.390 64.171 0.941 1.00 16.24 C ATOM 1756 O THR B 96 122.048 65.178 1.565 1.00 17.02 O ATOM 1757 CB THR B 96 121.887 63.842 -1.479 1.00 24.25 C ATOM 1758 OG1 THR B 96 121.619 65.228 -1.732 1.00 21.53 O ATOM 1759 CG2 THR B 96 121.141 62.981 -2.489 1.00 25.88 C ATOM 1760 HG1 THR B 96 120.650 65.400 -1.629 1.00 0.00 H ATOM 1761 H THR B 96 119.861 64.908 0.271 1.00 0.00 H ATOM 1762 N LEU B 97 123.578 63.588 1.083 1.00 18.17 N ATOM 1763 CA LEU B 97 124.711 64.235 1.732 1.00 20.74 C ATOM 1764 C LEU B 97 125.592 64.868 0.669 1.00 18.97 C ATOM 1765 O LEU B 97 125.827 64.270 -0.384 1.00 21.91 O ATOM 1766 CB LEU B 97 125.537 63.239 2.546 1.00 18.20 C ATOM 1767 CG LEU B 97 124.923 62.733 3.848 1.00 19.18 C ATOM 1768 CD1 LEU B 97 125.712 61.536 4.359 1.00 22.97 C ATOM 1769 CD2 LEU B 97 124.886 63.843 4.888 1.00 16.65 C ATOM 1770 H LEU B 97 123.704 62.624 0.713 1.00 0.00 H ATOM 1771 N ASN B 98 126.082 66.075 0.946 1.00 21.67 N ATOM 1772 CA ASN B 98 126.832 66.840 -0.043 1.00 22.96 C ATOM 1773 C ASN B 98 128.010 67.534 0.616 1.00 21.46 C ATOM 1774 O ASN B 98 127.833 68.272 1.590 1.00 19.56 O ATOM 1775 CB ASN B 98 125.944 67.887 -0.724 1.00 20.46 C ATOM 1776 CG ASN B 98 124.848 67.268 -1.545 1.00 23.10 C ATOM 1777 OD1 ASN B 98 125.044 66.963 -2.719 1.00 26.04 O ATOM 1778 ND2 ASN B 98 123.681 67.074 -0.936 1.00 23.17 N ATOM 1779 HD22 ASN B 98 123.562 67.349 0.060 1.00 0.00 H ATOM 1780 HD21 ASN B 98 122.888 66.648 -1.456 1.00 0.00 H ATOM 1781 H ASN B 98 125.926 66.482 1.890 1.00 0.00 H ATOM 1782 N PHE B 99 129.203 67.301 0.077 1.00 23.45 N ATOM 1783 CA PHE B 99 130.372 68.083 0.449 1.00 22.87 C ATOM 1784 C PHE B 99 131.371 68.113 -0.707 1.00 29.78 C ATOM 1785 O PHE B 99 132.464 68.678 -0.602 1.00 24.74 O ATOM 1786 CB PHE B 99 131.023 67.537 1.728 1.00 23.38 C ATOM 1787 CG PHE B 99 131.409 66.082 1.668 1.00 21.74 C ATOM 1788 CD1 PHE B 99 130.473 65.089 1.885 1.00 24.43 C ATOM 1789 CD2 PHE B 99 132.726 65.712 1.446 1.00 21.81 C ATOM 1790 CE1 PHE B 99 130.839 63.754 1.852 1.00 24.58 C ATOM 1791 CE2 PHE B 99 133.095 64.380 1.409 1.00 26.45 C ATOM 1792 CZ PHE B 99 132.153 63.401 1.613 1.00 28.45 C ATOM 1793 OXT PHE B 99 131.085 67.589 -1.788 1.00 24.01 O ATOM 1794 H PHE B 99 129.303 66.542 -0.627 1.00 0.00 H TER 1795 PHE B 99 HETATM 1796 O HOH 1 109.518 48.581 23.088 1.00 35.37 O HETATM 1797 O HOH 2 133.194 70.350 0.955 1.00 32.55 O HETATM 1798 O HOH 3 108.630 62.393 -0.991 1.00 30.11 O HETATM 1799 O HOH 4 123.033 52.714 9.426 1.00 30.11 O HETATM 1800 O HOH 5 133.715 68.911 -2.799 1.00 35.32 O HETATM 1801 O HOH 6 123.221 74.306 11.389 1.00 18.40 O HETATM 1802 O HOH 7 121.052 71.031 11.457 1.00 18.00 O HETATM 1803 O HOH 8 118.545 71.549 16.161 1.00 22.83 O HETATM 1804 O HOH 9 122.875 54.464 7.789 1.00 17.62 O HETATM 1805 O HOH 10 123.321 76.366 3.808 1.00 34.39 O HETATM 1806 O HOH 11 100.736 69.136 6.383 1.00 41.04 O HETATM 1807 O HOH 12 106.687 49.775 5.061 1.00 31.20 O HETATM 1808 O HOH 13 100.469 58.226 9.244 1.00 28.96 O HETATM 1809 O HOH 14 119.301 65.943 -2.894 1.00 24.48 O HETATM 1810 O HOH 15 118.815 44.355 14.848 1.00 30.26 O HETATM 1811 O HOH 16 118.823 59.414 -1.000 1.00 20.45 O HETATM 1812 O HOH 17 109.591 39.717 15.015 1.00 24.13 O HETATM 1813 O HOH 18 110.398 71.282 9.827 1.00 22.66 O HETATM 1814 O HOH 19 112.703 47.221 9.501 1.00 36.09 O HETATM 1815 O HOH 20 116.874 71.261 10.545 1.00 26.29 O HETATM 1816 O HOH 21 119.471 48.974 26.333 1.00 25.53 O HETATM 1817 O HOH 22 105.493 64.583 -1.407 1.00 26.11 O HETATM 1818 O HOH 23 102.364 47.289 10.281 1.00 28.99 O HETATM 1819 O HOH 24 120.943 74.929 8.081 1.00 29.19 O HETATM 1820 O HOH 25 113.929 48.046 25.258 1.00 21.96 O HETATM 1821 O HOH 26 116.202 65.073 -4.431 1.00 19.04 O HETATM 1822 O HOH 27 112.744 63.569 19.311 1.00 40.25 O HETATM 1823 O HOH 28 101.455 61.926 7.351 1.00 35.67 O HETATM 1824 O HOH 29 120.377 46.971 14.882 1.00 21.29 O HETATM 1825 O HOH 30 100.032 67.313 16.550 1.00 35.89 O HETATM 1826 O HOH 31 121.252 51.976 11.732 1.00 19.28 O HETATM 1827 O HOH 32 97.879 66.945 15.425 1.00 32.52 O HETATM 1828 O HOH 33 100.366 43.123 15.962 1.00 31.13 O HETATM 1829 O HOH 34 110.451 51.333 4.474 1.00 27.45 O HETATM 1830 O HOH 35 121.668 48.407 27.030 1.00 31.11 O HETATM 1831 O HOH 36 120.791 45.945 25.161 1.00 36.26 O HETATM 1832 O HOH 37 117.433 66.350 20.005 1.00 31.60 O HETATM 1833 O HOH 38 99.315 61.743 9.042 1.00 33.32 O HETATM 1834 O HOH 39 108.571 65.644 19.114 1.00 30.92 O HETATM 1835 O HOH 40 117.522 51.343 5.014 1.00 24.60 O HETATM 1836 O HOH 41 120.526 49.541 3.300 1.00 39.87 O HETATM 1837 O HOH 42 100.813 63.373 5.033 1.00 35.63 O HETATM 1838 O HOH 43 121.518 70.976 18.520 1.00 31.70 O HETATM 1839 O HOH 44 112.526 53.347 0.465 1.00 48.37 O HETATM 1840 O HOH 45 118.713 77.495 17.081 1.00 35.64 O HETATM 1841 O HOH 46 117.159 45.527 9.655 1.00 43.03 O HETATM 1842 O HOH 47 111.107 71.880 0.158 1.00 37.73 O HETATM 1843 O HOH 48 128.983 72.397 16.069 1.00 32.04 O HETATM 1844 O HOH 49 112.747 62.835 24.401 1.00 45.64 O HETATM 1845 O HOH 50 110.136 57.597 23.947 1.00 34.54 O HETATM 1846 O HOH 51 94.043 48.910 16.321 1.00 40.41 O HETATM 1847 O HOH 52 118.853 72.442 11.600 1.00 20.96 O HETATM 1848 O HOH 53 125.500 71.558 -2.294 1.00 37.13 O HETATM 1849 O HOH 54 112.463 59.680 -4.524 1.00 36.96 O HETATM 1850 O HOH 55 117.001 43.281 13.226 1.00 38.05 O HETATM 1851 O HOH 56 128.174 77.082 6.474 1.00 26.28 O HETATM 1852 O HOH 57 123.096 46.573 15.400 1.00 32.36 O HETATM 1853 O HOH 58 105.607 52.420 -1.217 1.00 40.36 O HETATM 1854 O HOH 59 125.774 77.254 4.342 1.00 39.04 O HETATM 1855 O HOH 60 127.937 70.860 -1.323 1.00 30.28 O HETATM 1856 O HOH 61 120.007 74.738 10.725 1.00 34.17 O HETATM 1857 O HOH 62 119.266 71.387 18.671 1.00 36.29 O HETATM 1858 O HOH 63 101.453 45.774 8.250 1.00 42.07 O HETATM 1859 O HOH 64 118.947 43.480 12.612 1.00 33.78 O HETATM 1860 O HOH 65 117.733 53.649 25.598 1.00 28.65 O HETATM 1861 O HOH 66 129.431 67.229 21.171 1.00 37.29 O HETATM 1862 O HOH 67 125.118 55.970 0.658 1.00 21.93 O HETATM 1863 O HOH 68 134.684 70.429 15.068 1.00 19.26 O HETATM 1864 O HOH 69 141.178 71.339 15.561 1.00 18.45 O HETATM 1865 O HOH 70 138.196 51.581 14.234 1.00 31.24 O HETATM 1866 O HOH 71 127.207 51.329 1.830 1.00 26.98 O HETATM 1867 O HOH 72 138.291 70.182 5.083 1.00 30.42 O HETATM 1868 O HOH 73 145.703 61.174 12.953 1.00 22.04 O HETATM 1869 O HOH 74 128.968 68.246 17.559 1.00 23.08 O HETATM 1870 O HOH 75 128.763 63.368 -6.535 1.00 38.79 O HETATM 1871 O HOH 76 116.583 48.996 11.966 1.00 25.61 O HETATM 1872 O HOH 77 127.337 71.695 7.834 1.00 16.37 O HETATM 1873 O HOH 78 123.033 54.964 19.185 1.00 16.85 O HETATM 1874 O HOH 79 129.537 53.248 0.897 1.00 37.46 O HETATM 1875 O HOH 80 128.130 59.345 -4.743 1.00 36.82 O HETATM 1876 O HOH 81 131.543 46.550 13.716 1.00 29.09 O HETATM 1877 O HOH 82 122.600 65.369 15.173 1.00 14.48 O HETATM 1878 O HOH 83 133.828 63.276 18.593 1.00 19.02 O HETATM 1879 O HOH 84 143.725 50.095 14.638 1.00 39.82 O HETATM 1880 O HOH 85 138.978 52.669 0.044 1.00 33.46 O HETATM 1881 O HOH 86 127.639 71.117 1.261 1.00 22.45 O HETATM 1882 O HOH 87 139.467 68.525 19.007 1.00 21.41 O HETATM 1883 O HOH 88 130.776 71.899 0.963 1.00 32.90 O HETATM 1884 O HOH 89 127.010 70.557 17.493 1.00 34.34 O HETATM 1885 O HOH 90 122.294 63.955 17.620 1.00 12.96 O HETATM 1886 O HOH 91 132.909 50.127 11.742 1.00 20.40 O HETATM 1887 O HOH 92 120.111 72.429 -1.607 1.00 29.83 O HETATM 1888 O HOH 93 133.155 47.721 18.377 1.00 23.55 O HETATM 1889 O HOH 94 127.772 50.005 22.604 1.00 22.53 O HETATM 1890 O HOH 95 135.627 48.381 19.656 1.00 19.86 O HETATM 1891 O HOH 96 143.522 66.545 8.834 1.00 29.89 O HETATM 1892 O HOH 97 135.796 68.395 17.275 1.00 18.72 O HETATM 1893 O HOH 98 138.143 52.713 24.587 1.00 35.53 O HETATM 1894 O HOH 99 136.673 70.156 3.227 1.00 24.51 O HETATM 1895 O HOH 100 118.140 70.621 -2.754 1.00 28.61 O HETATM 1896 O HOH 101 144.644 47.845 13.268 1.00 45.13 O HETATM 1897 O HOH 102 122.968 55.069 -2.020 1.00 22.26 O HETATM 1898 O HOH 103 121.238 58.486 25.390 1.00 34.50 O HETATM 1899 O HOH 104 121.790 56.420 -6.280 1.00 29.73 O HETATM 1900 O HOH 105 118.136 51.219 2.714 1.00 41.30 O HETATM 1901 O HOH 106 118.991 52.229 27.772 1.00 33.04 O HETATM 1902 O HOH 107 125.807 48.089 12.308 1.00 30.74 O HETATM 1903 O HOH 108 125.753 57.934 -3.705 1.00 33.31 O HETATM 1904 O HOH 109 128.412 50.850 9.122 1.00 37.24 O HETATM 1905 O HOH 110 124.948 70.822 18.706 1.00 40.23 O HETATM 1906 O HOH 111 128.940 73.511 2.037 1.00 39.53 O HETATM 1907 O HOH 112 137.397 49.812 9.162 1.00 33.19 O HETATM 1908 O HOH 113 124.541 49.300 3.129 1.00 31.34 O HETATM 1909 O HOH 114 116.787 51.413 0.828 1.00 40.98 O HETATM 1910 O HOH 115 133.823 66.062 -5.272 1.00 41.08 O HETATM 1911 O HOH 116 135.281 66.026 -3.645 1.00 35.32 O HETATM 1912 O HOH 117 143.094 72.206 5.316 1.00 36.67 O HETATM 1913 O HOH 118 134.296 53.122 0.836 1.00 36.18 O HETATM 1914 O HOH 119 135.067 56.729 -0.092 1.00 24.20 O HETATM 1915 O HOH 120 119.698 54.117 -6.512 1.00 43.28 O HETATM 1916 O HOH 121 137.389 52.501 27.017 1.00 45.57 O HETATM 1917 O HOH 122 124.782 69.530 20.404 1.00 40.76 O HETATM 1918 O HOH 123 149.068 60.395 8.277 1.00 38.32 O HETATM 1919 O HOH 124 127.613 55.236 -0.243 1.00 34.92 O HETATM 1920 O HOH 125 132.996 65.414 22.951 1.00 38.12 O HETATM 1921 O HOH 126 129.979 50.999 1.070 1.00 32.25 O HETATM 1922 O HOH 127 119.020 68.112 -4.357 1.00 23.58 O HETATM 1923 O HOH 128 133.208 72.702 15.923 1.00 26.47 O HETATM 1924 N1 A A 60 116.802 51.587 12.606 1.00 -0.34 N HETATM 1925 C2 A A 60 117.738 52.224 13.491 1.00 0.04 C HETATM 1926 C3 A A 60 118.911 51.420 14.103 1.00 -0.04 C HETATM 1927 C4 A A 60 119.893 52.111 15.037 1.00 -0.05 C HETATM 1928 C5 A A 60 119.680 53.601 15.355 1.00 0.09 C HETATM 1929 C6 A A 60 118.537 54.400 14.747 1.00 -0.05 C HETATM 1930 C7 A A 60 117.556 53.695 13.813 1.00 -0.04 C HETATM 1931 H6 A A 60 116.729 54.246 13.380 1.00 0.05 H HETATM 1932 H5 A A 60 118.421 55.454 14.973 1.00 0.06 H HETATM 1933 S8 A A 60 120.828 54.499 16.441 1.00 0.06 S HETATM 1934 O9 A A 60 120.168 55.586 17.136 1.00 -0.15 O HETATM 1935 O10 A A 60 121.373 53.673 17.494 1.00 -0.15 O HETATM 1936 N11 A A 60 122.054 55.065 15.397 1.00 -0.23 N HETATM 1937 C12 A A 60 122.749 54.014 14.651 1.00 0.03 C HETATM 1938 C13 A A 60 124.318 54.288 14.624 1.00 -0.02 C HETATM 1939 C14 A A 60 124.987 53.265 13.647 1.00 -0.05 C HETATM 1940 C20 A A 60 124.914 51.803 14.155 1.00 -0.07 C HETATM 1941 H22 A A 60 125.400 51.137 13.427 1.00 0.02 H HETATM 1942 H23 A A 60 123.861 51.509 14.276 1.00 0.02 H HETATM 1943 H24 A A 60 125.430 51.725 15.123 1.00 0.02 H HETATM 1944 H10 A A 60 126.045 53.540 13.523 1.00 0.03 H HETATM 1945 H11 A A 60 124.476 53.324 12.675 1.00 0.03 H HETATM 1946 C15 A A 60 124.865 54.231 16.069 1.00 -0.05 C HETATM 1947 C18 A A 60 126.385 54.572 16.093 1.00 -0.07 C HETATM 1948 H17 A A 60 126.755 54.526 17.128 1.00 0.02 H HETATM 1949 H18 A A 60 126.540 55.585 15.693 1.00 0.02 H HETATM 1950 H19 A A 60 126.933 53.846 15.475 1.00 0.02 H HETATM 1951 H12 A A 60 124.715 53.219 16.473 1.00 0.03 H HETATM 1952 H13 A A 60 124.322 54.958 16.690 1.00 0.03 H HETATM 1953 H9 A A 60 124.499 55.300 14.233 1.00 0.03 H HETATM 1954 H7 A A 60 122.368 53.991 13.619 1.00 0.05 H HETATM 1955 H8 A A 60 122.560 53.044 15.133 1.00 0.05 H HETATM 1956 C16 A A 60 121.767 56.359 14.694 1.00 0.06 C HETATM 1957 C17 A A 60 122.755 57.450 15.214 1.00 0.09 C HETATM 1958 O18 A A 60 122.681 58.580 14.417 1.00 -0.39 O HETATM 1959 H20 A A 60 122.910 58.352 13.524 1.00 0.21 H HETATM 1960 C19 A A 60 122.409 57.808 16.652 1.00 0.07 C HETATM 1961 N20 A A 60 123.447 58.748 17.086 1.00 -0.26 N HETATM 1962 C21 A A 60 124.458 58.374 18.099 1.00 0.32 C HETATM 1963 O22 A A 60 124.462 57.304 18.620 1.00 -0.38 O HETATM 1964 O23 A A 60 125.408 59.401 18.371 1.00 -0.26 O HETATM 1965 C24 A A 60 126.293 59.287 19.579 1.00 0.12 C HETATM 1966 C25 A A 60 127.446 59.696 19.232 1.00 0.08 C HETATM 1967 O26 A A 60 127.253 61.325 19.145 1.00 -0.35 O HETATM 1968 C27 A A 60 126.441 61.646 20.111 1.00 0.16 C HETATM 1969 O28 A A 60 125.223 62.498 19.597 1.00 -0.35 O HETATM 1970 C29 A A 60 124.168 61.710 19.590 1.00 0.05 C HETATM 1971 C30 A A 60 124.488 60.516 20.641 1.00 -0.02 C HETATM 1972 C31 A A 60 125.829 60.334 20.634 1.00 0.04 C HETATM 1973 H34 A A 60 126.188 60.072 21.640 1.00 0.04 H HETATM 1974 H32 A A 60 123.979 59.592 20.330 1.00 0.03 H HETATM 1975 H33 A A 60 124.150 60.799 21.649 1.00 0.03 H HETATM 1976 H30 A A 60 124.006 61.298 18.583 1.00 0.06 H HETATM 1977 H31 A A 60 123.274 62.267 19.906 1.00 0.06 H HETATM 1978 H29 A A 60 126.983 62.184 20.902 1.00 0.09 H HETATM 1979 H27 A A 60 127.735 59.280 18.256 1.00 0.06 H HETATM 1980 H28 A A 60 128.203 59.428 19.984 1.00 0.06 H HETATM 1981 H26 A A 60 126.307 58.263 19.981 1.00 0.07 H HETATM 1982 H25 A A 60 123.472 59.665 16.687 1.00 0.19 H HETATM 1983 C32 A A 60 121.079 58.516 16.762 1.00 -0.02 C HETATM 1984 C38 A A 60 120.883 58.970 18.236 1.00 -0.04 C HETATM 1985 C33 A A 60 120.568 57.926 19.318 1.00 -0.05 C HETATM 1986 C34 A A 60 120.380 58.368 20.784 1.00 -0.05 C HETATM 1987 C35 A A 60 120.505 59.864 21.165 1.00 -0.05 C HETATM 1988 C36 A A 60 120.813 60.905 20.081 1.00 -0.05 C HETATM 1989 C37 A A 60 121.004 60.462 18.617 1.00 -0.05 C HETATM 1990 H45 A A 60 122.012 60.785 18.317 1.00 0.03 H HETATM 1991 H46 A A 60 120.254 61.003 18.022 1.00 0.03 H HETATM 1992 H43 A A 60 121.741 61.412 20.383 1.00 0.03 H HETATM 1993 H44 A A 60 119.982 61.626 20.088 1.00 0.03 H HETATM 1994 H41 A A 60 121.309 59.936 21.913 1.00 0.03 H HETATM 1995 H42 A A 60 119.549 60.156 21.625 1.00 0.03 H HETATM 1996 H39 A A 60 121.130 57.826 21.378 1.00 0.03 H HETATM 1997 H40 A A 60 119.372 58.047 21.085 1.00 0.03 H HETATM 1998 H37 A A 60 119.636 57.426 19.015 1.00 0.03 H HETATM 1999 H38 A A 60 121.394 57.200 19.309 1.00 0.03 H HETATM 2000 H47 A A 60 119.807 59.106 18.051 1.00 0.03 H HETATM 2001 H35 A A 60 120.269 57.830 16.474 1.00 0.03 H HETATM 2002 H36 A A 60 121.070 59.394 16.099 1.00 0.03 H HETATM 2003 H21 A A 60 122.404 56.904 17.278 1.00 0.06 H HETATM 2004 H16 A A 60 123.780 57.053 15.178 1.00 0.06 H HETATM 2005 H14 A A 60 120.732 56.670 14.901 1.00 0.05 H HETATM 2006 H15 A A 60 121.900 56.227 13.610 1.00 0.05 H HETATM 2007 H4 A A 60 120.724 51.566 15.469 1.00 0.06 H HETATM 2008 H3 A A 60 119.032 50.369 13.867 1.00 0.05 H HETATM 2009 H1 A A 60 116.909 50.589 12.375 1.00 0.17 H HETATM 2010 H2 A A 60 116.024 52.129 12.202 1.00 0.17 H CONECT 1 2 7 8 9 CONECT 8 1 CONECT 9 1 CONECT 886 887 892 893 894 CONECT 893 886 CONECT 894 886 CONECT 1924 1925 2009 2010 CONECT 1925 1924 1926 1930 CONECT 1926 1925 1927 2008 CONECT 1927 1926 1928 2007 CONECT 1928 1927 1929 1933 CONECT 1929 1928 1930 1932 CONECT 1930 1925 1929 1931 CONECT 1931 1930 CONECT 1932 1929 CONECT 1933 1928 1934 1935 1936 CONECT 1934 1933 CONECT 1935 1933 CONECT 1936 1933 1937 1956 CONECT 1937 1936 1938 1954 1955 CONECT 1938 1937 1939 1946 1953 CONECT 1939 1938 1940 1944 1945 CONECT 1940 1939 1941 1942 1943 CONECT 1941 1940 CONECT 1942 1940 CONECT 1943 1940 CONECT 1944 1939 CONECT 1945 1939 CONECT 1946 1938 1947 1951 1952 CONECT 1947 1946 1948 1949 1950 CONECT 1948 1947 CONECT 1949 1947 CONECT 1950 1947 CONECT 1951 1946 CONECT 1952 1946 CONECT 1953 1938 CONECT 1954 1937 CONECT 1955 1937 CONECT 1956 1936 1957 2005 2006 CONECT 1957 1956 1958 1960 2004 CONECT 1958 1957 1959 CONECT 1959 1958 CONECT 1960 1957 1961 1983 2003 CONECT 1961 1960 1962 1982 CONECT 1962 1961 1963 1964 CONECT 1963 1962 CONECT 1964 1962 1965 CONECT 1965 1964 1966 1972 1981 CONECT 1966 1965 1967 1979 1980 CONECT 1967 1966 1968 CONECT 1968 1967 1969 1972 1978 CONECT 1969 1968 1970 CONECT 1970 1969 1971 1976 1977 CONECT 1971 1970 1972 1974 1975 CONECT 1972 1965 1968 1971 1973 CONECT 1973 1972 CONECT 1974 1971 CONECT 1975 1971 CONECT 1976 1970 CONECT 1977 1970 CONECT 1978 1968 CONECT 1979 1966 CONECT 1980 1966 CONECT 1981 1965 CONECT 1982 1961 CONECT 1983 1960 1984 2001 2002 CONECT 1984 1983 1985 1989 2000 CONECT 1985 1984 1986 1998 1999 CONECT 1986 1985 1987 1996 1997 CONECT 1987 1986 1988 1994 1995 CONECT 1988 1987 1989 1992 1993 CONECT 1989 1984 1988 1990 1991 CONECT 1990 1989 CONECT 1991 1989 CONECT 1992 1988 CONECT 1993 1988 CONECT 1994 1987 CONECT 1995 1987 CONECT 1996 1986 CONECT 1997 1986 CONECT 1998 1985 CONECT 1999 1985 CONECT 2000 1984 CONECT 2001 1983 CONECT 2002 1983 CONECT 2003 1960 CONECT 2004 1957 CONECT 2005 1956 CONECT 2006 1956 CONECT 2007 1927 CONECT 2008 1926 CONECT 2009 1924 CONECT 2010 1924 MASTER 0 0 0 0 0 0 0 0 2008 2 93 16 END
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Structure:
Ligand 2D
Ligand 3D
Protein
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Related entries of code: 6dh2
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1eby
RCSB PDB
PDBbind
99aa, >1EBY_1|Chains... at 90%
1hxw
RCSB PDB
PDBbind
99aa, >1HXW_1|Chains... at 90%
1izh
RCSB PDB
PDBbind
99aa, >1IZH_1|Chains... at 90%
1k6c
RCSB PDB
PDBbind
99aa, >1K6C_1|Chains... at 91%
1k6p
RCSB PDB
PDBbind
99aa, >1K6P_1|Chains... at 91%
1k6t
RCSB PDB
PDBbind
99aa, >1K6T_1|Chains... at 91%
1k6v
RCSB PDB
PDBbind
99aa, >1K6V_1|Chains... at 91%
1pro
RCSB PDB
PDBbind
99aa, >1PRO_1|Chains... at 90%
1sbg
RCSB PDB
PDBbind
99aa, >1SBG_1|Chains... at 90%
1t7j
RCSB PDB
PDBbind
99aa, >1T7J_1|Chains... at 91%
1vij
RCSB PDB
PDBbind
99aa, >1VIJ_1|Chains... at 90%
1vik
RCSB PDB
PDBbind
99aa, >1VIK_1|Chains... at 90%
1zp8
RCSB PDB
PDBbind
99aa, >1ZP8_1|Chain... at 90%
1zpa
RCSB PDB
PDBbind
99aa, >1ZPA_1|Chain... at 90%
2az8
RCSB PDB
PDBbind
99aa, >2AZ8_1|Chain... at 91%
2az9
RCSB PDB
PDBbind
99aa, >2AZ9_1|Chain... at 90%
2i4d
RCSB PDB
PDBbind
99aa, >2I4D_1|Chains... at 90%
2i4u
RCSB PDB
PDBbind
99aa, >2I4U_1|Chains... at 90%
2i4w
RCSB PDB
PDBbind
99aa, >2I4W_1|Chains... at 90%
2o4k
RCSB PDB
PDBbind
99aa, >2O4K_1|Chains... at 90%
2o4p
RCSB PDB
PDBbind
99aa, >2O4P_1|Chains... at 90%
2o4s
RCSB PDB
PDBbind
99aa, >2O4S_1|Chains... at 90%
2p3b
RCSB PDB
PDBbind
99aa, >2P3B_2|Chain... at 90%
3ekp
RCSB PDB
PDBbind
99aa, >3EKP_1|Chains... at 90%
3ekq
RCSB PDB
PDBbind
99aa, >3EKQ_1|Chains... at 90%
3ekt
RCSB PDB
PDBbind
99aa, >3EKT_1|Chains... at 90%
3ekw
RCSB PDB
PDBbind
99aa, >3EKW_1|Chains... at 90%
3el0
RCSB PDB
PDBbind
99aa, >3EL0_1|Chains... at 90%
3el4
RCSB PDB
PDBbind
99aa, >3EL4_1|Chains... at 92%
3el5
RCSB PDB
PDBbind
99aa, >3EL5_1|Chains... at 91%
3kfn
RCSB PDB
PDBbind
99aa, >3KFN_1|Chains... at 91%
3m9f
RCSB PDB
PDBbind
99aa, >3M9F_1|Chains... at 90%
3tlh
RCSB PDB
PDBbind
99aa, >3TLH_1|Chain... at 90%
4eqj
RCSB PDB
PDBbind
203aa, >4EQJ_1|Chain... *
4ll3
RCSB PDB
PDBbind
99aa, >4LL3_1|Chains... at 90%
4phv
RCSB PDB
PDBbind
99aa, >4PHV_1|Chains... at 90%
5hvp
RCSB PDB
PDBbind
99aa, >5HVP_1|Chains... at 90%
5ivs
RCSB PDB
PDBbind
99aa, >5IVS_1|Chains... at 90%
6dgx
RCSB PDB
PDBbind
99aa, >6DGX_1|Chains... at 91%
6dgy
RCSB PDB
PDBbind
99aa, >6DGY_1|Chains... at 91%
6dgz
RCSB PDB
PDBbind
99aa, >6DGZ_1|Chains... at 91%
6dh0
RCSB PDB
PDBbind
99aa, >6DH0_1|Chains... at 90%
6dh1
RCSB PDB
PDBbind
99aa, >6DH1_1|Chains... at 90%
6dh3
RCSB PDB
PDBbind
99aa, >6DH3_1|Chains... at 90%
6dh4
RCSB PDB
PDBbind
99aa, >6DH4_1|Chains... at 90%
6dh5
RCSB PDB
PDBbind
99aa, >6DH5_1|Chains... at 90%
6dh6
RCSB PDB
PDBbind
99aa, >6DH6_1|Chains... at 90%
6dh7
RCSB PDB
PDBbind
99aa, >6DH7_1|Chains... at 90%
6dh8
RCSB PDB
PDBbind
99aa, >6DH8_1|Chains... at 90%
9hvp
RCSB PDB
PDBbind
99aa, >9HVP_1|Chains... at 90%
6oy2
RCSB PDB
PDBbind
99aa, >6OY2_1|Chains... at 91%
6oy0
RCSB PDB
PDBbind
99aa, >6OY0_1|Chains... at 91%
6oxz
RCSB PDB
PDBbind
99aa, >6OXZ_1|Chains... at 91%
6oxy
RCSB PDB
PDBbind
99aa, >6OXY_1|Chains... at 91%
6oxx
RCSB PDB
PDBbind
99aa, >6OXX_1|Chains... at 91%
6oxw
RCSB PDB
PDBbind
99aa, >6OXW_1|Chains... at 91%
6oxv
RCSB PDB
PDBbind
99aa, >6OXV_1|Chains... at 91%
6oxu
RCSB PDB
PDBbind
99aa, >6OXU_1|Chains... at 91%
6oxt
RCSB PDB
PDBbind
99aa, >6OXT_1|Chains... at 91%
6oxs
RCSB PDB
PDBbind
99aa, >6OXS_1|Chains... at 91%
6oxr
RCSB PDB
PDBbind
99aa, >6OXR_1|Chains... at 91%
6oxq
RCSB PDB
PDBbind
99aa, >6OXQ_1|Chains... at 91%
6oxp
RCSB PDB
PDBbind
99aa, >6OXP_1|Chains... at 91%
6oou
RCSB PDB
PDBbind
99aa, >6OOU_1|Chains... at 90%
6oos
RCSB PDB
PDBbind
99aa, >6OOS_1|Chains... at 90%
6oy1
RCSB PDB
PDBbind
99aa, >6OY1_1|Chains... at 91%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
3o9e
RCSB PDB
PDBbind
A60
6dgz
RCSB PDB
PDBbind
A60
6dh5
RCSB PDB
PDBbind
A60
6dh8
RCSB PDB
PDBbind
A60
Entry Information
PDB ID
6dh2
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
HIV-1 Protease I84V Mutant
Ligand Name
A60
EC.Number
E.C.-.-.-.-
Resolution
1.98(Å)
Affinity (Kd/Ki/IC50)
Ki=12.8pM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) ACS Infect Dis Vol. 5: pp. 316-325
Ligand Properties
Formula
C
2
9
H
4
7
N
3
O
7
S
Molecular Weight
581.764
Exact Mass
581.313
No. of atoms
87
No. of bonds
90
Polar Surface Area
148.8
LOGP Value
4.79 (
Computed with XLOGP3
)
5.94 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 16
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 4
Canonical SMILES
CCC(CN(S(=O)(=O)c1ccc(cc1)N)C[C@H]([C@@H](NC(=O)O[C@H]1CO[C@@H]2[C@H]1CCO2)CC1CCCCC1)O)CC
InChI String
InChI=1S/C29H47N3O7S/c1-3-20(4-2)17-32(40(35,36)23-12-10-22(30)11-13-23)18-26(33)25(16-21-8-6-5-7-9-21)31-29(34)39-27-19-38-28-24(27)14-15-37-28/h10-13,20-21,24-28,33H,3-9,14-19,30H2,1-2H3,(H,31,34)/t24-,25-,26+,27-,28+/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):
Q7ZCI0
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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