Browse entries in the PDBbind-CN Database
HEADER 5L0C_COMPLEX COMPND 5L0C_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 176 ASN GLN PRO VAL ASN GLN PRO ILE LEU ALA ALA ALA GLN SEQRES 2 A 176 SER LEU HIS ARG GLU ALA THR LYS TRP SER SER LYS GLY SEQRES 3 A 176 ASN ASP ILE ILE ALA ALA ALA LYS ARG MET ALA LEU LEU SEQRES 4 A 176 MET ALA GLU MET SER ARG LEU VAL ARG GLY GLY SER GLY SEQRES 5 A 176 THR LYS ARG ALA LEU ILE GLN CYS ALA LYS ASP ILE ALA SEQRES 6 A 176 LYS ALA SER ASP GLU VAL THR ARG LEU ALA LYS GLU VAL SEQRES 7 A 176 ALA LYS GLN CYS THR ASP LYS ARG ILE ARG THR ASN LEU SEQRES 8 A 176 LEU GLN VAL CYS GLU ARG ILE PRO THR ILE SER THR GLN SEQRES 9 A 176 LEU LYS ILE LEU SER THR VAL LYS ALA THR MET LEU GLY SEQRES 10 A 176 ARG THR ASN ILE SER ASP GLU GLU SER GLU GLN ALA THR SEQRES 11 A 176 GLU MET LEU VAL HIS ASN ALA GLN ASN LEU MET GLN SER SEQRES 12 A 176 VAL LYS GLU THR VAL ARG GLU ALA GLU ALA ALA SER ILE SEQRES 13 A 176 LYS ILE ARG THR ASP ALA GLY PHE THR LEU ARG TRP VAL SEQRES 14 A 176 ARG LYS THR PRO TRP TYR GLN HET PIO A 190 45 ATOM 1 N ASN A 959 74.725 13.487 -8.109 1.00146.73 N ATOM 2 CA ASN A 959 75.302 14.638 -7.426 1.00146.58 C ATOM 3 C ASN A 959 76.383 14.198 -6.442 1.00148.52 C ATOM 4 O ASN A 959 77.060 13.193 -6.660 1.00148.09 O ATOM 5 CB ASN A 959 74.212 15.431 -6.701 1.00149.54 C ATOM 6 CG ASN A 959 73.297 16.174 -7.655 1.00177.00 C ATOM 7 OD1 ASN A 959 73.670 16.465 -8.791 1.00172.01 O ATOM 8 ND2 ASN A 959 72.090 16.484 -7.197 1.00168.67 N ATOM 9 HD22 ASN A 959 71.817 16.218 -6.229 1.00 0.00 H ATOM 10 HD21 ASN A 959 71.418 16.993 -7.806 1.00 0.00 H ATOM 11 HN3 ASN A 959 74.301 12.846 -7.408 1.00 0.00 H ATOM 12 HN2 ASN A 959 75.471 12.986 -8.632 1.00 0.00 H ATOM 13 HN1 ASN A 959 73.993 13.811 -8.773 1.00 0.00 H ATOM 14 N GLN A 960 76.539 14.953 -5.359 1.00142.77 N ATOM 15 CA GLN A 960 77.536 14.636 -4.343 1.00141.27 C ATOM 16 C GLN A 960 77.217 13.314 -3.650 1.00141.98 C ATOM 17 O GLN A 960 76.049 13.013 -3.383 1.00140.47 O ATOM 18 CB GLN A 960 77.627 15.762 -3.311 1.00142.61 C ATOM 19 CG GLN A 960 76.325 16.035 -2.574 1.00157.94 C ATOM 20 CD GLN A 960 76.443 17.157 -1.557 1.00174.08 C ATOM 21 OE1 GLN A 960 75.540 17.371 -0.748 1.00166.34 O ATOM 22 NE2 GLN A 960 77.558 17.879 -1.593 1.00167.96 N ATOM 23 HE22 GLN A 960 78.295 17.663 -2.294 1.00 0.00 H ATOM 24 HE21 GLN A 960 77.693 18.660 -0.920 1.00 0.00 H ATOM 25 H GLN A 960 75.935 15.790 -5.233 1.00 0.00 H ATOM 26 N PRO A 961 78.309 12.505 -3.355 1.00137.22 N ATOM 27 CA PRO A 961 77.957 11.239 -2.686 1.00136.21 C ATOM 28 C PRO A 961 77.354 11.468 -1.303 1.00137.65 C ATOM 29 O PRO A 961 77.803 12.352 -0.574 1.00137.60 O ATOM 30 CB PRO A 961 79.300 10.503 -2.556 1.00138.13 C ATOM 31 CG PRO A 961 80.119 10.975 -3.698 1.00143.05 C ATOM 32 CD PRO A 961 79.729 12.411 -3.779 1.00138.80 C ATOM 33 N VAL A 962 76.345 10.676 -0.953 1.00131.57 N ATOM 34 CA VAL A 962 75.689 10.796 0.344 1.00130.20 C ATOM 35 C VAL A 962 75.495 9.432 1.000 1.00131.85 C ATOM 36 O VAL A 962 75.320 8.424 0.315 1.00131.22 O ATOM 37 CB VAL A 962 74.323 11.495 0.223 1.00133.81 C ATOM 38 CG1 VAL A 962 73.378 10.668 -0.637 1.00133.77 C ATOM 39 CG2 VAL A 962 73.726 11.735 1.601 1.00133.56 C ATOM 40 H VAL A 962 76.015 9.952 -1.622 1.00 0.00 H ATOM 41 N ASN A 963 75.524 9.406 2.329 1.00126.48 N ATOM 42 CA ASN A 963 75.344 8.165 3.074 1.00124.82 C ATOM 43 C ASN A 963 73.826 7.992 3.160 1.00125.41 C ATOM 44 O ASN A 963 73.170 8.649 3.966 1.00125.20 O ATOM 45 CB ASN A 963 75.946 8.264 4.463 1.00125.34 C ATOM 46 CG ASN A 963 75.788 7.002 5.257 1.00153.99 C ATOM 47 OD1 ASN A 963 74.766 6.777 5.899 1.00148.44 O ATOM 48 ND2 ASN A 963 76.804 6.163 5.239 1.00149.64 N ATOM 49 HD22 ASN A 963 77.654 6.387 4.683 1.00 0.00 H ATOM 50 HD21 ASN A 963 76.756 5.276 5.780 1.00 0.00 H ATOM 51 H ASN A 963 75.679 10.292 2.850 1.00 0.00 H ATOM 52 N GLN A 964 73.272 7.141 2.299 1.00119.26 N ATOM 53 CA GLN A 964 71.833 6.900 2.202 1.00117.65 C ATOM 54 C GLN A 964 71.134 6.555 3.526 1.00116.85 C ATOM 55 O GLN A 964 70.102 7.176 3.791 1.00117.24 O ATOM 56 CB GLN A 964 71.511 5.855 1.129 1.00119.26 C ATOM 57 CG GLN A 964 71.315 6.506 -0.244 1.00141.04 C ATOM 58 CD GLN A 964 71.974 5.789 -1.403 1.00171.03 C ATOM 59 OE1 GLN A 964 72.027 4.553 -1.468 1.00171.70 O ATOM 60 NE2 GLN A 964 72.475 6.562 -2.360 1.00162.74 N ATOM 61 HE22 GLN A 964 72.415 7.597 -2.277 1.00 0.00 H ATOM 62 HE21 GLN A 964 72.927 6.132 -3.192 1.00 0.00 H ATOM 63 H GLN A 964 73.900 6.616 1.657 1.00 0.00 H ATOM 64 N PRO A 965 71.630 5.652 4.407 1.00108.64 N ATOM 65 CA PRO A 965 70.868 5.391 5.644 1.00106.87 C ATOM 66 C PRO A 965 70.743 6.585 6.585 1.00106.27 C ATOM 67 O PRO A 965 69.726 6.670 7.277 1.00105.89 O ATOM 68 CB PRO A 965 71.587 4.217 6.290 1.00108.87 C ATOM 69 CG PRO A 965 72.932 4.198 5.677 1.00113.66 C ATOM 70 CD PRO A 965 72.809 4.769 4.306 1.00109.37 C ATOM 71 N ILE A 966 71.742 7.521 6.589 1.00 98.61 N ATOM 72 CA ILE A 966 71.690 8.743 7.411 1.00 96.14 C ATOM 73 C ILE A 966 70.630 9.663 6.830 1.00100.52 C ATOM 74 O ILE A 966 69.783 10.167 7.573 1.00101.58 O ATOM 75 CB ILE A 966 73.066 9.443 7.609 1.00 97.53 C ATOM 76 CG1 ILE A 966 74.016 8.577 8.451 1.00 97.22 C ATOM 77 CG2 ILE A 966 72.911 10.809 8.272 1.00 96.82 C ATOM 78 CD1 ILE A 966 75.455 9.116 8.543 1.00103.82 C ATOM 79 H ILE A 966 72.574 7.363 5.985 1.00 0.00 H ATOM 80 N LEU A 967 70.657 9.845 5.501 1.00 96.20 N ATOM 81 CA LEU A 967 69.656 10.650 4.810 1.00 95.54 C ATOM 82 C LEU A 967 68.231 10.080 5.026 1.00 97.33 C ATOM 83 O LEU A 967 67.307 10.850 5.269 1.00 96.10 O ATOM 84 CB LEU A 967 69.981 10.795 3.309 1.00 95.41 C ATOM 85 CG LEU A 967 69.006 11.647 2.502 1.00100.01 C ATOM 86 CD1 LEU A 967 68.979 13.094 3.001 1.00100.46 C ATOM 87 CD2 LEU A 967 69.321 11.578 1.040 1.00102.34 C ATOM 88 H LEU A 967 71.415 9.398 4.946 1.00 0.00 H ATOM 89 N ALA A 968 68.060 8.753 4.962 1.00 93.53 N ATOM 90 CA ALA A 968 66.759 8.123 5.175 1.00 94.27 C ATOM 91 C ALA A 968 66.234 8.373 6.600 1.00100.54 C ATOM 92 O ALA A 968 65.040 8.661 6.783 1.00100.58 O ATOM 93 CB ALA A 968 66.846 6.633 4.887 1.00 95.29 C ATOM 94 H ALA A 968 68.882 8.150 4.754 1.00 0.00 H ATOM 95 N ALA A 969 67.140 8.302 7.603 1.00 97.30 N ATOM 96 CA ALA A 969 66.811 8.586 8.999 1.00 95.96 C ATOM 97 C ALA A 969 66.405 10.061 9.122 1.00 96.69 C ATOM 98 O ALA A 969 65.416 10.360 9.783 1.00 96.40 O ATOM 99 CB ALA A 969 68.003 8.275 9.891 1.00 96.57 C ATOM 100 H ALA A 969 68.117 8.033 7.370 1.00 0.00 H ATOM 101 N ALA A 970 67.122 10.970 8.431 1.00 90.62 N ATOM 102 CA ALA A 970 66.805 12.402 8.430 1.00 89.54 C ATOM 103 C ALA A 970 65.420 12.656 7.847 1.00 90.63 C ATOM 104 O ALA A 970 64.634 13.373 8.456 1.00 89.38 O ATOM 105 CB ALA A 970 67.856 13.183 7.652 1.00 90.25 C ATOM 106 H ALA A 970 67.936 10.641 7.874 1.00 0.00 H ATOM 107 N GLN A 971 65.112 12.024 6.695 1.00 86.39 N ATOM 108 CA GLN A 971 63.824 12.127 6.008 1.00 85.32 C ATOM 109 C GLN A 971 62.702 11.584 6.874 1.00 86.49 C ATOM 110 O GLN A 971 61.631 12.175 6.906 1.00 84.12 O ATOM 111 CB GLN A 971 63.852 11.423 4.643 1.00 86.68 C ATOM 112 CG GLN A 971 64.644 12.174 3.579 1.00104.48 C ATOM 113 CD GLN A 971 65.010 11.359 2.351 1.00134.90 C ATOM 114 OE1 GLN A 971 64.893 10.129 2.315 1.00127.59 O ATOM 115 NE2 GLN A 971 65.510 12.021 1.321 1.00134.75 N ATOM 116 HE22 GLN A 971 65.603 13.056 1.364 1.00 0.00 H ATOM 117 HE21 GLN A 971 65.810 11.507 0.468 1.00 0.00 H ATOM 118 H GLN A 971 65.842 11.421 6.265 1.00 0.00 H ATOM 119 N SER A 972 62.961 10.495 7.612 1.00 84.78 N ATOM 120 CA SER A 972 61.991 9.896 8.538 1.00 85.58 C ATOM 121 C SER A 972 61.484 10.937 9.564 1.00 90.66 C ATOM 122 O SER A 972 60.269 11.078 9.758 1.00 89.91 O ATOM 123 CB SER A 972 62.603 8.691 9.251 1.00 88.69 C ATOM 124 OG SER A 972 61.754 8.191 10.276 1.00 95.31 O ATOM 125 HG SER A 972 62.186 7.414 10.711 1.00 0.00 H ATOM 126 H SER A 972 63.898 10.051 7.524 1.00 0.00 H ATOM 127 N LEU A 973 62.421 11.682 10.187 1.00 87.45 N ATOM 128 CA LEU A 973 62.077 12.722 11.152 1.00 86.94 C ATOM 129 C LEU A 973 61.412 13.902 10.468 1.00 94.18 C ATOM 130 O LEU A 973 60.433 14.427 10.990 1.00 94.41 O ATOM 131 CB LEU A 973 63.305 13.174 11.964 1.00 85.75 C ATOM 132 CG LEU A 973 63.105 14.353 12.928 1.00 87.37 C ATOM 133 CD1 LEU A 973 62.062 14.038 14.013 1.00 87.07 C ATOM 134 CD2 LEU A 973 64.401 14.758 13.545 1.00 86.79 C ATOM 135 H LEU A 973 63.424 11.509 9.972 1.00 0.00 H ATOM 136 N HIS A 974 61.937 14.305 9.303 1.00 93.51 N ATOM 137 CA HIS A 974 61.405 15.400 8.504 1.00 94.80 C ATOM 138 C HIS A 974 59.913 15.206 8.199 1.00100.69 C ATOM 139 O HIS A 974 59.139 16.154 8.345 1.00100.36 O ATOM 140 CB HIS A 974 62.197 15.537 7.204 1.00 95.92 C ATOM 141 CG HIS A 974 61.691 16.616 6.320 1.00100.03 C ATOM 142 ND1 HIS A 974 62.087 17.928 6.505 1.00102.02 N ATOM 143 CD2 HIS A 974 60.846 16.556 5.262 1.00102.70 C ATOM 144 CE1 HIS A 974 61.481 18.621 5.555 1.00101.87 C ATOM 145 NE2 HIS A 974 60.715 17.839 4.788 1.00102.51 N ATOM 146 H HIS A 974 62.777 13.805 8.947 1.00 0.00 H ATOM 147 N ARG A 975 59.519 13.978 7.800 1.00 97.32 N ATOM 148 CA ARG A 975 58.141 13.632 7.486 1.00 97.28 C ATOM 149 C ARG A 975 57.237 13.935 8.667 1.00100.11 C ATOM 150 O ARG A 975 56.208 14.576 8.477 1.00100.79 O ATOM 151 CB ARG A 975 58.031 12.147 7.077 1.00101.36 C ATOM 152 CG ARG A 975 56.653 11.660 6.636 1.00123.33 C ATOM 153 CD ARG A 975 56.363 10.226 7.074 1.00146.78 C ATOM 154 NE ARG A 975 55.944 10.130 8.480 1.00165.76 N ATOM 155 CZ ARG A 975 55.035 9.273 8.946 1.00184.36 C ATOM 156 NH1 ARG A 975 54.440 8.412 8.127 1.00171.53 N ATOM 157 NH2 ARG A 975 54.720 9.266 10.233 1.00172.41 N ATOM 158 HE ARG A 975 56.389 10.778 9.161 1.00 0.00 H ATOM 159 HH12 ARG A 975 53.732 7.746 8.497 1.00 0.00 H ATOM 160 HH11 ARG A 975 54.682 8.404 7.116 1.00 0.00 H ATOM 161 HH22 ARG A 975 54.010 8.595 10.591 1.00 0.00 H ATOM 162 HH21 ARG A 975 55.182 9.931 10.885 1.00 0.00 H ATOM 163 H ARG A 975 60.242 13.236 7.712 1.00 0.00 H ATOM 164 N GLU A 976 57.620 13.491 9.876 1.00 95.35 N ATOM 165 CA GLU A 976 56.827 13.720 11.084 1.00 94.43 C ATOM 166 C GLU A 976 56.779 15.206 11.447 1.00 97.20 C ATOM 167 O GLU A 976 55.699 15.742 11.691 1.00 97.36 O ATOM 168 CB GLU A 976 57.355 12.876 12.271 1.00 95.58 C ATOM 169 CG GLU A 976 56.490 12.921 13.536 1.00105.45 C ATOM 170 CD GLU A 976 55.135 12.240 13.458 1.00134.36 C ATOM 171 OE1 GLU A 976 55.009 11.277 12.664 1.00143.27 O ATOM 172 OE2 GLU A 976 54.193 12.687 14.162 1.00126.22 O ATOM 173 H GLU A 976 58.514 12.965 9.956 1.00 0.00 H ATOM 174 N ALA A 977 57.938 15.864 11.486 1.00 92.38 N ATOM 175 CA ALA A 977 58.013 17.254 11.907 1.00 92.05 C ATOM 176 C ALA A 977 57.261 18.216 10.990 1.00 97.70 C ATOM 177 O ALA A 977 56.686 19.187 11.489 1.00 97.31 O ATOM 178 CB ALA A 977 59.460 17.687 12.061 1.00 92.40 C ATOM 179 H ALA A 977 58.810 15.371 11.208 1.00 0.00 H ATOM 180 N THR A 978 57.241 17.952 9.657 1.00 94.62 N ATOM 181 CA THR A 978 56.569 18.862 8.709 1.00 93.77 C ATOM 182 C THR A 978 55.057 18.671 8.667 1.00 96.61 C ATOM 183 O THR A 978 54.388 19.413 7.961 1.00 95.85 O ATOM 184 CB THR A 978 57.189 18.860 7.313 1.00 91.96 C ATOM 185 OG1 THR A 978 57.143 17.550 6.768 1.00 88.56 O ATOM 186 CG2 THR A 978 58.607 19.390 7.316 1.00 86.25 C ATOM 187 HG1 THR A 978 57.650 16.933 7.353 1.00 0.00 H ATOM 188 H THR A 978 57.707 17.094 9.299 1.00 0.00 H ATOM 189 N LYS A 979 54.514 17.757 9.474 1.00 93.07 N ATOM 190 CA LYS A 979 53.075 17.602 9.630 1.00 93.12 C ATOM 191 C LYS A 979 52.537 18.818 10.417 1.00 98.10 C ATOM 192 O LYS A 979 51.357 19.103 10.309 1.00 97.53 O ATOM 193 CB LYS A 979 52.753 16.329 10.431 1.00 96.23 C ATOM 194 CG LYS A 979 52.886 15.007 9.672 1.00111.75 C ATOM 195 CD LYS A 979 52.934 13.777 10.604 1.00121.53 C ATOM 196 CE LYS A 979 51.586 13.429 11.196 1.00143.86 C ATOM 197 NZ LYS A 979 51.671 12.380 12.247 1.00161.01 N ATOM 198 HZ1 LYS A 979 52.072 11.512 11.837 1.00 0.00 H ATOM 199 HZ2 LYS A 979 52.281 12.714 13.020 1.00 0.00 H ATOM 200 HZ3 LYS A 979 50.719 12.183 12.616 1.00 0.00 H ATOM 201 H LYS A 979 55.145 17.130 10.013 1.00 0.00 H ATOM 202 N TRP A 980 53.392 19.545 11.180 1.00 95.60 N ATOM 203 CA TRP A 980 52.983 20.666 12.036 1.00 95.34 C ATOM 204 C TRP A 980 53.717 21.961 11.788 1.00 99.95 C ATOM 205 O TRP A 980 54.805 21.966 11.202 1.00100.55 O ATOM 206 CB TRP A 980 53.186 20.279 13.513 1.00 94.36 C ATOM 207 CG TRP A 980 52.732 18.892 13.847 1.00 95.74 C ATOM 208 CD1 TRP A 980 53.415 17.720 13.647 1.00 98.72 C ATOM 209 CD2 TRP A 980 51.437 18.531 14.336 1.00 95.95 C ATOM 210 NE1 TRP A 980 52.622 16.647 13.996 1.00 98.82 N ATOM 211 CE2 TRP A 980 51.415 17.121 14.465 1.00100.39 C ATOM 212 CE3 TRP A 980 50.286 19.277 14.697 1.00 96.99 C ATOM 213 CZ2 TRP A 980 50.265 16.440 14.866 1.00 99.72 C ATOM 214 CZ3 TRP A 980 49.172 18.609 15.151 1.00 98.44 C ATOM 215 CH2 TRP A 980 49.159 17.209 15.219 1.00 99.42 C ATOM 216 HE1 TRP A 980 52.890 15.645 13.918 1.00 0.00 H ATOM 217 H TRP A 980 54.401 19.292 11.157 1.00 0.00 H ATOM 218 N SER A 981 53.119 23.061 12.262 1.00 96.99 N ATOM 219 CA SER A 981 53.681 24.409 12.201 1.00 98.03 C ATOM 220 C SER A 981 54.681 24.634 13.335 1.00104.95 C ATOM 221 O SER A 981 54.466 24.168 14.452 1.00103.71 O ATOM 222 CB SER A 981 52.572 25.450 12.289 1.00101.50 C ATOM 223 OG SER A 981 53.083 26.772 12.279 1.00111.86 O ATOM 224 HG SER A 981 52.333 27.415 12.338 1.00 0.00 H ATOM 225 H SER A 981 52.186 22.948 12.706 1.00 0.00 H ATOM 226 N SER A 982 55.729 25.375 13.006 1.00104.67 N ATOM 227 CA SER A 982 56.790 25.748 13.913 1.00106.02 C ATOM 228 C SER A 982 56.434 26.951 14.771 1.00114.04 C ATOM 229 O SER A 982 57.100 27.230 15.754 1.00114.05 O ATOM 230 CB SER A 982 58.039 26.070 13.102 1.00109.19 C ATOM 231 OG SER A 982 58.182 25.166 12.023 1.00116.01 O ATOM 232 HG SER A 982 58.998 25.393 11.510 1.00 0.00 H ATOM 233 H SER A 982 55.792 25.712 12.024 1.00 0.00 H ATOM 234 N LYS A 983 55.396 27.682 14.397 1.00112.57 N ATOM 235 CA LYS A 983 55.034 28.852 15.175 1.00112.48 C ATOM 236 C LYS A 983 54.300 28.405 16.402 1.00114.63 C ATOM 237 O LYS A 983 53.298 27.724 16.303 1.00113.57 O ATOM 238 CB LYS A 983 54.144 29.785 14.361 1.00115.62 C ATOM 239 CG LYS A 983 53.845 31.100 15.063 1.00131.60 C ATOM 240 CD LYS A 983 52.615 31.804 14.511 1.00136.60 C ATOM 241 CE LYS A 983 52.692 32.008 13.011 1.00138.44 C ATOM 242 NZ LYS A 983 51.542 32.822 12.552 1.00141.78 N ATOM 243 HZ1 LYS A 983 50.656 32.331 12.787 1.00 0.00 H ATOM 244 HZ2 LYS A 983 51.563 33.748 13.026 1.00 0.00 H ATOM 245 HZ3 LYS A 983 51.603 32.957 11.523 1.00 0.00 H ATOM 246 H LYS A 983 54.846 27.421 13.554 1.00 0.00 H ATOM 247 N GLY A 984 54.798 28.808 17.562 1.00109.97 N ATOM 248 CA GLY A 984 54.185 28.436 18.820 1.00109.12 C ATOM 249 C GLY A 984 54.548 27.056 19.325 1.00110.90 C ATOM 250 O GLY A 984 53.960 26.562 20.278 1.00110.50 O ATOM 251 H GLY A 984 55.649 29.406 17.569 1.00 0.00 H ATOM 252 N ASN A 985 55.502 26.419 18.669 1.00105.03 N ATOM 253 CA ASN A 985 55.948 25.103 19.070 1.00102.91 C ATOM 254 C ASN A 985 57.414 24.992 18.778 1.00107.57 C ATOM 255 O ASN A 985 57.781 24.532 17.723 1.00108.11 O ATOM 256 CB ASN A 985 55.192 24.030 18.311 1.00 93.85 C ATOM 257 CG ASN A 985 55.644 22.642 18.669 1.00 94.76 C ATOM 258 OD1 ASN A 985 56.833 22.367 18.779 1.00 87.32 O ATOM 259 ND2 ASN A 985 54.690 21.748 18.838 1.00 81.84 N ATOM 260 HD22 ASN A 985 53.693 22.026 18.735 1.00 0.00 H ATOM 261 HD21 ASN A 985 54.934 20.765 19.074 1.00 0.00 H ATOM 262 H ASN A 985 55.943 26.875 17.845 1.00 0.00 H ATOM 263 N ASP A 986 58.259 25.395 19.709 1.00103.25 N ATOM 264 CA ASP A 986 59.687 25.303 19.479 1.00102.10 C ATOM 265 C ASP A 986 60.135 23.863 19.324 1.00102.72 C ATOM 266 O ASP A 986 61.007 23.557 18.542 1.00101.44 O ATOM 267 CB ASP A 986 60.484 26.070 20.520 1.00103.92 C ATOM 268 CG ASP A 986 60.796 27.479 20.076 1.00113.61 C ATOM 269 OD1 ASP A 986 60.382 27.865 18.976 1.00113.32 O ATOM 270 OD2 ASP A 986 61.467 28.209 20.814 1.00120.62 O ATOM 271 H ASP A 986 57.900 25.778 20.607 1.00 0.00 H ATOM 272 N ILE A 987 59.557 22.956 20.072 1.00 97.55 N ATOM 273 CA ILE A 987 60.001 21.582 19.879 1.00 97.57 C ATOM 274 C ILE A 987 59.966 21.234 18.394 1.00 99.96 C ATOM 275 O ILE A 987 60.876 20.587 17.878 1.00101.70 O ATOM 276 CB ILE A 987 59.136 20.585 20.676 1.00101.69 C ATOM 277 CG1 ILE A 987 59.316 20.791 22.183 1.00102.40 C ATOM 278 CG2 ILE A 987 59.471 19.155 20.281 1.00104.39 C ATOM 279 CD1 ILE A 987 58.314 20.038 23.030 1.00112.18 C ATOM 280 H ILE A 987 58.822 23.203 20.765 1.00 0.00 H ATOM 281 N ILE A 988 58.912 21.673 17.712 1.00 92.42 N ATOM 282 CA ILE A 988 58.769 21.422 16.282 1.00 89.80 C ATOM 283 C ILE A 988 59.875 22.115 15.487 1.00 89.47 C ATOM 284 O ILE A 988 60.404 21.551 14.529 1.00 87.58 O ATOM 285 CB ILE A 988 57.373 21.826 15.759 1.00 92.01 C ATOM 286 CG1 ILE A 988 56.288 21.083 16.537 1.00 91.20 C ATOM 287 CG2 ILE A 988 57.230 21.514 14.275 1.00 92.71 C ATOM 288 CD1 ILE A 988 56.396 19.576 16.448 1.00 86.78 C ATOM 289 H ILE A 988 58.172 22.208 18.210 1.00 0.00 H ATOM 290 N ALA A 989 60.222 23.337 15.885 1.00 84.65 N ATOM 291 CA ALA A 989 61.271 24.077 15.184 1.00 84.20 C ATOM 292 C ALA A 989 62.610 23.345 15.279 1.00 89.88 C ATOM 293 O ALA A 989 63.373 23.283 14.315 1.00 90.17 O ATOM 294 CB ALA A 989 61.392 25.485 15.745 1.00 84.66 C ATOM 295 H ALA A 989 59.743 23.769 16.701 1.00 0.00 H ATOM 296 N ALA A 990 62.875 22.795 16.457 1.00 87.29 N ATOM 297 CA ALA A 990 64.108 22.044 16.758 1.00 86.43 C ATOM 298 C ALA A 990 64.155 20.701 16.010 1.00 85.85 C ATOM 299 O ALA A 990 65.198 20.388 15.426 1.00 84.99 O ATOM 300 CB ALA A 990 64.278 21.842 18.263 1.00 87.26 C ATOM 301 H ALA A 990 62.170 22.900 17.214 1.00 0.00 H ATOM 302 N ALA A 991 63.028 19.952 15.962 1.00 79.63 N ATOM 303 CA ALA A 991 62.962 18.688 15.208 1.00 79.87 C ATOM 304 C ALA A 991 63.226 18.880 13.678 1.00 85.52 C ATOM 305 O ALA A 991 63.953 18.091 13.055 1.00 84.11 O ATOM 306 CB ALA A 991 61.624 18.020 15.423 1.00 80.06 C ATOM 307 H ALA A 991 62.183 20.279 16.473 1.00 0.00 H ATOM 308 N LYS A 992 62.651 19.954 13.101 1.00 81.96 N ATOM 309 CA LYS A 992 62.846 20.339 11.713 1.00 80.82 C ATOM 310 C LYS A 992 64.307 20.692 11.485 1.00 84.72 C ATOM 311 O LYS A 992 64.886 20.269 10.473 1.00 85.70 O ATOM 312 CB LYS A 992 61.973 21.552 11.372 1.00 81.77 C ATOM 313 CG LYS A 992 60.568 21.187 10.957 1.00 83.68 C ATOM 314 CD LYS A 992 59.680 22.403 10.900 1.00 91.72 C ATOM 315 CE LYS A 992 58.296 22.057 10.393 1.00105.85 C ATOM 316 NZ LYS A 992 57.321 23.131 10.713 1.00104.40 N ATOM 317 HZ1 LYS A 992 57.274 23.259 11.744 1.00 0.00 H ATOM 318 HZ2 LYS A 992 57.626 24.019 10.266 1.00 0.00 H ATOM 319 HZ3 LYS A 992 56.383 22.864 10.353 1.00 0.00 H ATOM 320 H LYS A 992 62.028 20.545 13.687 1.00 0.00 H ATOM 321 N ARG A 993 64.900 21.459 12.428 1.00 78.97 N ATOM 322 CA ARG A 993 66.294 21.857 12.346 1.00 79.42 C ATOM 323 C ARG A 993 67.204 20.618 12.382 1.00 86.18 C ATOM 324 O ARG A 993 68.152 20.523 11.605 1.00 84.30 O ATOM 325 CB ARG A 993 66.628 22.849 13.469 1.00 78.76 C ATOM 326 CG ARG A 993 68.092 23.228 13.484 1.00 89.76 C ATOM 327 CD ARG A 993 68.321 24.692 13.721 1.00106.66 C ATOM 328 NE ARG A 993 69.714 24.936 14.104 1.00107.95 N ATOM 329 CZ ARG A 993 70.723 25.048 13.245 1.00101.78 C ATOM 330 NH1 ARG A 993 70.503 24.963 11.932 1.00 51.05 N ATOM 331 NH2 ARG A 993 71.954 25.261 13.688 1.00 97.41 N ATOM 332 HE ARG A 993 69.928 25.028 15.117 1.00 0.00 H ATOM 333 HH12 ARG A 993 71.296 25.051 11.265 1.00 0.00 H ATOM 334 HH11 ARG A 993 69.538 24.808 11.575 1.00 0.00 H ATOM 335 HH22 ARG A 993 72.741 25.348 13.014 1.00 0.00 H ATOM 336 HH21 ARG A 993 72.133 25.341 14.709 1.00 0.00 H ATOM 337 H ARG A 993 64.336 21.776 13.243 1.00 0.00 H ATOM 338 N MET A 994 66.878 19.664 13.279 1.00 86.34 N ATOM 339 CA MET A 994 67.613 18.413 13.446 1.00 87.12 C ATOM 340 C MET A 994 67.630 17.582 12.175 1.00 88.95 C ATOM 341 O MET A 994 68.696 17.126 11.783 1.00 88.15 O ATOM 342 CB MET A 994 67.029 17.597 14.593 1.00 90.25 C ATOM 343 CG MET A 994 67.535 18.028 15.932 1.00 95.23 C ATOM 344 SD MET A 994 67.030 16.890 17.218 1.00101.13 S ATOM 345 CE MET A 994 68.055 15.523 16.813 1.00 98.08 C ATOM 346 H MET A 994 66.052 19.830 13.889 1.00 0.00 H ATOM 347 N ALA A 995 66.459 17.402 11.529 1.00 83.95 N ATOM 348 CA ALA A 995 66.340 16.655 10.277 1.00 82.50 C ATOM 349 C ALA A 995 67.156 17.328 9.153 1.00 83.79 C ATOM 350 O ALA A 995 67.759 16.642 8.333 1.00 82.32 O ATOM 351 CB ALA A 995 64.880 16.523 9.872 1.00 83.23 C ATOM 352 H ALA A 995 65.598 17.815 11.942 1.00 0.00 H ATOM 353 N LEU A 996 67.213 18.660 9.149 1.00 80.34 N ATOM 354 CA LEU A 996 67.971 19.398 8.150 1.00 80.74 C ATOM 355 C LEU A 996 69.453 19.189 8.367 1.00 85.54 C ATOM 356 O LEU A 996 70.189 19.012 7.400 1.00 86.91 O ATOM 357 CB LEU A 996 67.645 20.906 8.243 1.00 81.03 C ATOM 358 CG LEU A 996 68.199 21.817 7.159 1.00 85.68 C ATOM 359 CD1 LEU A 996 67.240 22.944 6.900 1.00 85.86 C ATOM 360 CD2 LEU A 996 69.574 22.399 7.529 1.00 87.28 C ATOM 361 H LEU A 996 66.699 19.188 9.883 1.00 0.00 H ATOM 362 N LEU A 997 69.898 19.239 9.630 1.00 81.42 N ATOM 363 CA LEU A 997 71.305 19.061 9.989 1.00 80.31 C ATOM 364 C LEU A 997 71.728 17.624 9.750 1.00 84.54 C ATOM 365 O LEU A 997 72.833 17.398 9.261 1.00 83.45 O ATOM 366 CB LEU A 997 71.567 19.464 11.449 1.00 79.56 C ATOM 367 CG LEU A 997 71.488 20.935 11.814 1.00 83.40 C ATOM 368 CD1 LEU A 997 71.366 21.077 13.294 1.00 82.80 C ATOM 369 CD2 LEU A 997 72.660 21.738 11.246 1.00 85.93 C ATOM 370 H LEU A 997 69.211 19.413 10.391 1.00 0.00 H ATOM 371 N MET A 998 70.838 16.653 10.060 1.00 81.56 N ATOM 372 CA MET A 998 71.114 15.241 9.830 1.00 81.87 C ATOM 373 C MET A 998 71.282 14.947 8.348 1.00 89.93 C ATOM 374 O MET A 998 72.153 14.164 7.996 1.00 89.56 O ATOM 375 CB MET A 998 70.050 14.341 10.458 1.00 84.07 C ATOM 376 CG MET A 998 70.452 12.888 10.545 1.00 88.18 C ATOM 377 SD MET A 998 71.996 12.613 11.474 1.00 93.58 S ATOM 378 CE MET A 998 71.417 12.618 13.155 1.00 90.49 C ATOM 379 H MET A 998 69.925 16.924 10.477 1.00 0.00 H ATOM 380 N ALA A 999 70.492 15.597 7.470 1.00 89.87 N ATOM 381 CA ALA A 999 70.638 15.434 6.020 1.00 90.34 C ATOM 382 C ALA A 999 71.995 15.984 5.550 1.00 95.87 C ATOM 383 O ALA A 999 72.632 15.379 4.684 1.00 97.48 O ATOM 384 CB ALA A 999 69.504 16.127 5.296 1.00 90.97 C ATOM 385 H ALA A 999 69.755 16.235 7.833 1.00 0.00 H ATOM 386 N GLU A1000 72.441 17.104 6.146 1.00 91.61 N ATOM 387 CA GLU A1000 73.731 17.703 5.847 1.00 92.53 C ATOM 388 C GLU A1000 74.838 16.749 6.325 1.00101.17 C ATOM 389 O GLU A1000 75.846 16.565 5.639 1.00101.28 O ATOM 390 CB GLU A1000 73.846 19.073 6.524 1.00 93.85 C ATOM 391 CG GLU A1000 75.152 19.761 6.173 1.00108.22 C ATOM 392 CD GLU A1000 75.544 21.009 6.939 1.00142.05 C ATOM 393 OE1 GLU A1000 75.281 21.072 8.163 1.00135.84 O ATOM 394 OE2 GLU A1000 76.216 21.875 6.332 1.00143.72 O ATOM 395 H GLU A1000 71.834 17.563 6.855 1.00 0.00 H ATOM 396 N MET A1001 74.622 16.125 7.494 1.00100.02 N ATOM 397 CA MET A1001 75.518 15.137 8.058 1.00100.44 C ATOM 398 C MET A1001 75.777 14.001 7.064 1.00107.15 C ATOM 399 O MET A1001 76.933 13.630 6.905 1.00107.73 O ATOM 400 CB MET A1001 74.969 14.599 9.385 1.00102.52 C ATOM 401 CG MET A1001 75.902 13.618 10.050 1.00105.76 C ATOM 402 SD MET A1001 75.514 12.949 11.653 1.00109.95 S ATOM 403 CE MET A1001 75.941 14.257 12.743 1.00106.09 C ATOM 404 H MET A1001 73.761 16.365 8.025 1.00 0.00 H ATOM 405 N SER A1002 74.735 13.471 6.379 1.00105.03 N ATOM 406 CA SER A1002 74.944 12.374 5.429 1.00106.07 C ATOM 407 C SER A1002 75.852 12.757 4.263 1.00112.46 C ATOM 408 O SER A1002 76.571 11.902 3.760 1.00112.86 O ATOM 409 CB SER A1002 73.626 11.784 4.948 1.00110.09 C ATOM 410 OG SER A1002 73.093 12.526 3.871 1.00120.29 O ATOM 411 HG SER A1002 72.933 13.459 4.162 1.00 0.00 H ATOM 412 H SER A1002 73.777 13.846 6.529 1.00 0.00 H ATOM 413 N ARG A1003 75.865 14.027 3.879 1.00110.63 N ATOM 414 CA ARG A1003 76.762 14.525 2.840 1.00111.53 C ATOM 415 C ARG A1003 78.189 14.599 3.391 1.00116.62 C ATOM 416 O ARG A1003 79.129 14.101 2.767 1.00116.86 O ATOM 417 CB ARG A1003 76.313 15.926 2.385 1.00114.71 C ATOM 418 CG ARG A1003 75.111 15.836 1.484 1.00135.05 C ATOM 419 CD ARG A1003 74.244 17.067 1.325 1.00153.29 C ATOM 420 NE ARG A1003 72.879 16.646 0.978 1.00169.12 N ATOM 421 CZ ARG A1003 72.492 16.238 -0.234 1.00187.39 C ATOM 422 NH1 ARG A1003 73.356 16.217 -1.246 1.00174.11 N ATOM 423 NH2 ARG A1003 71.244 15.845 -0.442 1.00175.42 N ATOM 424 HE ARG A1003 72.162 16.667 1.731 1.00 0.00 H ATOM 425 HH12 ARG A1003 73.047 15.898 -2.187 1.00 0.00 H ATOM 426 HH11 ARG A1003 74.340 16.519 -1.096 1.00 0.00 H ATOM 427 HH22 ARG A1003 70.949 15.529 -1.388 1.00 0.00 H ATOM 428 HH21 ARG A1003 70.559 15.853 0.341 1.00 0.00 H ATOM 429 H ARG A1003 75.211 14.694 4.336 1.00 0.00 H ATOM 430 N LEU A1004 78.336 15.204 4.577 1.00113.79 N ATOM 431 CA LEU A1004 79.623 15.426 5.242 1.00113.78 C ATOM 432 C LEU A1004 80.396 14.170 5.569 1.00119.64 C ATOM 433 O LEU A1004 81.618 14.151 5.401 1.00119.83 O ATOM 434 CB LEU A1004 79.459 16.257 6.529 1.00113.36 C ATOM 435 CG LEU A1004 78.967 17.678 6.411 1.00116.96 C ATOM 436 CD1 LEU A1004 78.721 18.259 7.786 1.00116.74 C ATOM 437 CD2 LEU A1004 79.943 18.533 5.646 1.00118.81 C ATOM 438 H LEU A1004 77.478 15.539 5.059 1.00 0.00 H ATOM 439 N VAL A1005 79.688 13.151 6.093 1.00117.01 N ATOM 440 CA VAL A1005 80.247 11.873 6.497 1.00117.36 C ATOM 441 C VAL A1005 80.738 11.132 5.275 1.00124.35 C ATOM 442 O VAL A1005 81.728 10.410 5.365 1.00124.04 O ATOM 443 CB VAL A1005 79.228 11.055 7.324 1.00121.24 C ATOM 444 CG1 VAL A1005 78.875 11.738 8.644 1.00120.68 C ATOM 445 CG2 VAL A1005 77.975 10.763 6.515 1.00121.42 C ATOM 446 H VAL A1005 78.665 13.290 6.218 1.00 0.00 H ATOM 447 N ARG A1006 80.088 11.336 4.133 1.00123.80 N ATOM 448 CA ARG A1006 80.495 10.680 2.892 1.00124.76 C ATOM 449 C ARG A1006 81.545 11.480 2.110 1.00131.69 C ATOM 450 O ARG A1006 82.197 10.948 1.212 1.00131.80 O ATOM 451 CB ARG A1006 79.277 10.409 2.006 1.00123.86 C ATOM 452 CG ARG A1006 78.276 9.436 2.608 1.00132.84 C ATOM 453 CD ARG A1006 78.796 8.009 2.557 1.00144.76 C ATOM 454 NE ARG A1006 78.901 7.513 1.188 1.00154.95 N ATOM 455 CZ ARG A1006 79.468 6.358 0.853 1.00169.12 C ATOM 456 NH1 ARG A1006 79.519 5.987 -0.419 1.00156.14 N ATOM 457 NH2 ARG A1006 79.984 5.575 1.789 1.00153.54 N ATOM 458 HE ARG A1006 78.507 8.101 0.426 1.00 0.00 H ATOM 459 HH12 ARG A1006 79.963 5.083 -0.680 1.00 0.00 H ATOM 460 HH11 ARG A1006 79.115 6.600 -1.156 1.00 0.00 H ATOM 461 HH22 ARG A1006 80.427 4.672 1.525 1.00 0.00 H ATOM 462 HH21 ARG A1006 79.946 5.864 2.787 1.00 0.00 H ATOM 463 H ARG A1006 79.270 11.978 4.123 1.00 0.00 H ATOM 464 N GLY A1007 81.699 12.726 2.537 1.00129.91 N ATOM 465 CA GLY A1007 82.626 13.692 1.991 1.00130.59 C ATOM 466 C GLY A1007 84.049 13.555 2.477 1.00136.44 C ATOM 467 O GLY A1007 84.331 12.789 3.378 1.00135.48 O ATOM 468 H GLY A1007 81.103 13.034 3.331 1.00 0.00 H ATOM 469 N GLY A1008 84.937 14.318 1.854 1.00135.41 N ATOM 470 CA GLY A1008 86.360 14.333 2.146 1.00136.18 C ATOM 471 C GLY A1008 86.801 15.159 3.340 1.00142.16 C ATOM 472 O GLY A1008 85.975 15.714 4.058 1.00142.29 O ATOM 473 H GLY A1008 84.590 14.950 1.104 1.00 0.00 H ATOM 474 N SER A1009 88.122 15.264 3.501 1.00139.36 N ATOM 475 CA SER A1009 88.804 15.959 4.607 1.00139.04 C ATOM 476 C SER A1009 88.656 17.463 4.781 1.00143.70 C ATOM 477 O SER A1009 88.909 17.978 5.861 1.00143.96 O ATOM 478 CB SER A1009 90.284 15.613 4.648 1.00141.51 C ATOM 479 OG SER A1009 90.905 16.293 5.719 1.00146.40 O ATOM 480 HG SER A1009 90.800 17.269 5.594 1.00 0.00 H ATOM 481 H SER A1009 88.724 14.815 2.781 1.00 0.00 H ATOM 482 N GLY A1010 88.290 18.177 3.735 1.00139.82 N ATOM 483 CA GLY A1010 88.108 19.612 3.860 1.00139.30 C ATOM 484 C GLY A1010 86.953 19.889 4.816 1.00141.20 C ATOM 485 O GLY A1010 86.789 20.985 5.343 1.00140.59 O ATOM 486 H GLY A1010 88.131 17.712 2.819 1.00 0.00 H ATOM 487 N THR A1011 86.128 18.867 5.024 1.00135.67 N ATOM 488 CA THR A1011 84.930 18.972 5.861 1.00134.26 C ATOM 489 C THR A1011 85.009 18.431 7.292 1.00134.25 C ATOM 490 O THR A1011 83.976 18.262 7.940 1.00133.94 O ATOM 491 CB THR A1011 83.714 18.324 5.168 1.00143.78 C ATOM 492 OG1 THR A1011 83.992 16.943 4.902 1.00144.12 O ATOM 493 CG2 THR A1011 83.405 19.036 3.860 1.00141.94 C ATOM 494 HG1 THR A1011 84.783 16.875 4.311 1.00 0.00 H ATOM 495 H THR A1011 86.342 17.954 4.573 1.00 0.00 H ATOM 496 N LYS A1012 86.207 18.149 7.789 1.00127.52 N ATOM 497 CA LYS A1012 86.329 17.602 9.139 1.00126.33 C ATOM 498 C LYS A1012 85.771 18.531 10.222 1.00127.71 C ATOM 499 O LYS A1012 85.085 18.073 11.136 1.00126.39 O ATOM 500 CB LYS A1012 87.789 17.260 9.446 1.00129.07 C ATOM 501 CG LYS A1012 87.994 16.551 10.774 1.00147.78 C ATOM 502 CD LYS A1012 89.433 16.674 11.249 1.00155.32 C ATOM 503 CE LYS A1012 90.408 16.196 10.186 1.00159.29 C ATOM 504 NZ LYS A1012 91.810 16.175 10.687 1.00166.38 N ATOM 505 HZ1 LYS A1012 92.088 17.134 10.977 1.00 0.00 H ATOM 506 HZ2 LYS A1012 91.876 15.533 11.502 1.00 0.00 H ATOM 507 HZ3 LYS A1012 92.442 15.843 9.931 1.00 0.00 H ATOM 508 H LYS A1012 87.059 18.317 7.218 1.00 0.00 H ATOM 509 N ARG A1013 86.054 19.826 10.123 1.00123.06 N ATOM 510 CA ARG A1013 85.549 20.788 11.102 1.00121.89 C ATOM 511 C ARG A1013 84.023 20.861 11.051 1.00120.75 C ATOM 512 O ARG A1013 83.348 20.938 12.078 1.00119.41 O ATOM 513 CB ARG A1013 86.152 22.172 10.855 1.00125.72 C ATOM 514 CG ARG A1013 87.651 22.247 11.091 1.00148.51 C ATOM 515 CD ARG A1013 88.171 23.663 10.899 1.00171.44 C ATOM 516 NE ARG A1013 89.615 23.747 11.100 1.00185.06 N ATOM 517 CZ ARG A1013 90.198 23.861 12.289 1.00200.48 C ATOM 518 NH1 ARG A1013 89.461 23.905 13.390 1.00190.02 N ATOM 519 NH2 ARG A1013 91.519 23.931 12.377 1.00185.39 N ATOM 520 HE ARG A1013 90.226 23.716 10.259 1.00 0.00 H ATOM 521 HH12 ARG A1013 89.919 23.994 14.319 1.00 0.00 H ATOM 522 HH11 ARG A1013 88.425 23.850 13.324 1.00 0.00 H ATOM 523 HH22 ARG A1013 91.974 24.020 13.308 1.00 0.00 H ATOM 524 HH21 ARG A1013 92.100 23.897 11.515 1.00 0.00 H ATOM 525 H ARG A1013 86.645 20.161 9.335 1.00 0.00 H ATOM 526 N ALA A1014 83.503 20.836 9.830 1.00115.07 N ATOM 527 CA ALA A1014 82.066 20.895 9.535 1.00114.28 C ATOM 528 C ALA A1014 81.306 19.726 10.154 1.00115.02 C ATOM 529 O ALA A1014 80.241 19.932 10.732 1.00114.87 O ATOM 530 CB ALA A1014 81.821 20.956 8.031 1.00115.18 C ATOM 531 H ALA A1014 84.159 20.770 9.026 1.00 0.00 H ATOM 532 N LEU A1015 81.881 18.513 10.067 1.00108.31 N ATOM 533 CA LEU A1015 81.317 17.294 10.642 1.00106.11 C ATOM 534 C LEU A1015 81.181 17.421 12.165 1.00108.14 C ATOM 535 O LEU A1015 80.151 17.057 12.716 1.00107.06 O ATOM 536 CB LEU A1015 82.194 16.090 10.277 1.00105.57 C ATOM 537 CG LEU A1015 81.717 14.693 10.654 1.00109.79 C ATOM 538 CD1 LEU A1015 80.278 14.459 10.237 1.00109.87 C ATOM 539 CD2 LEU A1015 82.615 13.647 10.007 1.00112.42 C ATOM 540 H LEU A1015 82.785 18.438 9.558 1.00 0.00 H ATOM 541 N ILE A1016 82.203 17.956 12.832 1.00104.58 N ATOM 542 CA ILE A1016 82.198 18.143 14.274 1.00104.76 C ATOM 543 C ILE A1016 81.145 19.185 14.668 1.00109.54 C ATOM 544 O ILE A1016 80.407 18.956 15.634 1.00110.85 O ATOM 545 CB ILE A1016 83.615 18.507 14.800 1.00108.40 C ATOM 546 CG1 ILE A1016 84.584 17.326 14.600 1.00109.25 C ATOM 547 CG2 ILE A1016 83.566 18.904 16.282 1.00110.15 C ATOM 548 CD1 ILE A1016 86.067 17.621 14.837 1.00115.85 C ATOM 549 H ILE A1016 83.043 18.254 12.296 1.00 0.00 H ATOM 550 N GLN A1017 81.070 20.319 13.924 1.00104.26 N ATOM 551 CA GLN A1017 80.126 21.401 14.220 1.00102.82 C ATOM 552 C GLN A1017 78.690 20.983 13.971 1.00102.45 C ATOM 553 O GLN A1017 77.820 21.329 14.764 1.00102.59 O ATOM 554 CB GLN A1017 80.487 22.690 13.471 1.00104.28 C ATOM 555 CG GLN A1017 79.700 23.944 13.901 1.00120.91 C ATOM 556 CD GLN A1017 79.718 24.246 15.396 1.00148.08 C ATOM 557 OE1 GLN A1017 80.742 24.162 16.083 1.00145.44 O ATOM 558 NE2 GLN A1017 78.579 24.642 15.927 1.00142.88 N ATOM 559 HE22 GLN A1017 77.725 24.708 15.337 1.00 0.00 H ATOM 560 HE21 GLN A1017 78.534 24.889 16.936 1.00 0.00 H ATOM 561 H GLN A1017 81.709 20.424 13.110 1.00 0.00 H ATOM 562 N CYS A1018 78.442 20.238 12.884 1.00 94.20 N ATOM 563 CA CYS A1018 77.114 19.721 12.557 1.00 91.08 C ATOM 564 C CYS A1018 76.636 18.786 13.693 1.00 93.98 C ATOM 565 O CYS A1018 75.505 18.937 14.132 1.00 93.95 O ATOM 566 CB CYS A1018 77.126 19.025 11.196 1.00 90.07 C ATOM 567 SG CYS A1018 75.568 18.236 10.719 1.00 93.26 S ATOM 568 H CYS A1018 79.231 20.018 12.244 1.00 0.00 H ATOM 569 N ALA A1019 77.497 17.878 14.225 1.00 89.64 N ATOM 570 CA ALA A1019 77.102 17.015 15.345 1.00 89.21 C ATOM 571 C ALA A1019 76.818 17.827 16.599 1.00 93.94 C ATOM 572 O ALA A1019 75.836 17.535 17.297 1.00 92.92 O ATOM 573 CB ALA A1019 78.135 15.970 15.615 1.00 89.66 C ATOM 574 H ALA A1019 78.455 17.793 13.830 1.00 0.00 H ATOM 575 N LYS A1020 77.633 18.884 16.847 1.00 92.47 N ATOM 576 CA LYS A1020 77.429 19.813 17.957 1.00 94.06 C ATOM 577 C LYS A1020 76.059 20.490 17.825 1.00101.11 C ATOM 578 O LYS A1020 75.323 20.522 18.809 1.00101.34 O ATOM 579 CB LYS A1020 78.545 20.866 18.018 1.00 97.08 C ATOM 580 CG LYS A1020 78.423 21.824 19.206 1.00126.58 C ATOM 581 CD LYS A1020 79.558 22.859 19.228 1.00145.52 C ATOM 582 CE LYS A1020 79.484 23.852 18.084 1.00158.07 C ATOM 583 NZ LYS A1020 78.269 24.702 18.181 1.00165.60 N ATOM 584 HZ1 LYS A1020 77.422 24.099 18.150 1.00 0.00 H ATOM 585 HZ2 LYS A1020 78.288 25.230 19.077 1.00 0.00 H ATOM 586 HZ3 LYS A1020 78.250 25.369 17.384 1.00 0.00 H ATOM 587 H LYS A1020 78.444 19.041 16.215 1.00 0.00 H ATOM 588 N ASP A1021 75.701 20.977 16.608 1.00 98.40 N ATOM 589 CA ASP A1021 74.405 21.600 16.325 1.00 97.93 C ATOM 590 C ASP A1021 73.268 20.605 16.524 1.00100.61 C ATOM 591 O ASP A1021 72.272 20.970 17.144 1.00100.98 O ATOM 592 CB ASP A1021 74.353 22.157 14.909 1.00100.12 C ATOM 593 CG ASP A1021 75.318 23.278 14.648 1.00116.04 C ATOM 594 OD1 ASP A1021 75.753 23.932 15.634 1.00118.49 O ATOM 595 OD2 ASP A1021 75.609 23.541 13.453 1.00120.83 O ATOM 596 H ASP A1021 76.388 20.903 15.831 1.00 0.00 H ATOM 597 N ILE A1022 73.416 19.349 16.032 1.00 94.53 N ATOM 598 CA ILE A1022 72.382 18.333 16.204 1.00 93.35 C ATOM 599 C ILE A1022 72.149 18.098 17.701 1.00 99.96 C ATOM 600 O ILE A1022 70.997 18.029 18.143 1.00 99.81 O ATOM 601 CB ILE A1022 72.682 17.023 15.431 1.00 95.16 C ATOM 602 CG1 ILE A1022 72.720 17.238 13.898 1.00 94.21 C ATOM 603 CG2 ILE A1022 71.634 15.969 15.773 1.00 96.30 C ATOM 604 CD1 ILE A1022 73.277 16.087 13.050 1.00 93.31 C ATOM 605 H ILE A1022 74.287 19.104 15.520 1.00 0.00 H ATOM 606 N ALA A1023 73.246 18.012 18.483 1.00 97.85 N ATOM 607 CA ALA A1023 73.164 17.798 19.929 1.00 97.48 C ATOM 608 C ALA A1023 72.480 18.978 20.624 1.00 99.90 C ATOM 609 O ALA A1023 71.615 18.746 21.469 1.00 98.17 O ATOM 610 CB ALA A1023 74.544 17.552 20.509 1.00 98.13 C ATOM 611 H ALA A1023 74.184 18.101 18.042 1.00 0.00 H ATOM 612 N LYS A1024 72.819 20.238 20.225 1.00 95.97 N ATOM 613 CA LYS A1024 72.214 21.462 20.770 1.00 95.78 C ATOM 614 C LYS A1024 70.706 21.470 20.522 1.00101.30 C ATOM 615 O LYS A1024 69.955 21.703 21.467 1.00101.18 O ATOM 616 CB LYS A1024 72.878 22.715 20.178 1.00 97.17 C ATOM 617 CG LYS A1024 72.523 24.033 20.853 1.00110.38 C ATOM 618 CD LYS A1024 73.012 25.293 20.047 1.00121.02 C ATOM 619 CE LYS A1024 74.509 25.559 19.993 1.00123.48 C ATOM 620 NZ LYS A1024 74.929 25.979 18.629 1.00126.41 N ATOM 621 HZ1 LYS A1024 74.700 25.226 17.950 1.00 0.00 H ATOM 622 HZ2 LYS A1024 74.426 26.850 18.366 1.00 0.00 H ATOM 623 HZ3 LYS A1024 75.954 26.154 18.622 1.00 0.00 H ATOM 624 H LYS A1024 73.549 20.339 19.491 1.00 0.00 H ATOM 625 N ALA A1025 70.265 21.162 19.277 1.00 97.64 N ATOM 626 CA ALA A1025 68.849 21.099 18.920 1.00 96.77 C ATOM 627 C ALA A1025 68.128 19.985 19.662 1.00 99.13 C ATOM 628 O ALA A1025 66.983 20.173 20.037 1.00 97.17 O ATOM 629 CB ALA A1025 68.683 20.935 17.425 1.00 97.42 C ATOM 630 H ALA A1025 70.970 20.961 18.539 1.00 0.00 H ATOM 631 N SER A1026 68.799 18.858 19.925 1.00 97.46 N ATOM 632 CA SER A1026 68.198 17.741 20.661 1.00 97.72 C ATOM 633 C SER A1026 68.059 18.032 22.170 1.00104.33 C ATOM 634 O SER A1026 67.189 17.462 22.823 1.00103.50 O ATOM 635 CB SER A1026 68.975 16.461 20.423 1.00 99.14 C ATOM 636 OG SER A1026 70.135 16.489 21.222 1.00108.39 O ATOM 637 HG SER A1026 70.687 17.272 20.973 1.00 0.00 H ATOM 638 H SER A1026 69.782 18.771 19.596 1.00 0.00 H ATOM 639 N ASP A1027 68.910 18.922 22.718 1.00103.24 N ATOM 640 CA ASP A1027 68.826 19.343 24.120 1.00103.75 C ATOM 641 C ASP A1027 67.577 20.206 24.297 1.00107.35 C ATOM 642 O ASP A1027 66.904 20.102 25.315 1.00108.10 O ATOM 643 CB ASP A1027 70.079 20.137 24.531 1.00106.18 C ATOM 644 CG ASP A1027 71.362 19.318 24.683 1.00117.56 C ATOM 645 OD1 ASP A1027 71.265 18.090 24.967 1.00119.22 O ATOM 646 OD2 ASP A1027 72.460 19.909 24.556 1.00117.96 O ATOM 647 H ASP A1027 69.659 19.328 22.121 1.00 0.00 H ATOM 648 N GLU A1028 67.263 21.052 23.295 1.00101.77 N ATOM 649 CA GLU A1028 66.052 21.870 23.291 1.00 99.95 C ATOM 650 C GLU A1028 64.816 20.949 23.219 1.00 97.34 C ATOM 651 O GLU A1028 63.891 21.153 23.986 1.00 95.49 O ATOM 652 CB GLU A1028 66.087 22.882 22.143 1.00101.93 C ATOM 653 CG GLU A1028 64.917 23.851 22.091 1.00121.16 C ATOM 654 CD GLU A1028 65.118 25.072 21.208 1.00164.60 C ATOM 655 OE1 GLU A1028 66.272 25.551 21.090 1.00161.52 O ATOM 656 OE2 GLU A1028 64.102 25.615 20.717 1.00170.84 O ATOM 657 H GLU A1028 67.913 21.126 22.487 1.00 0.00 H ATOM 658 N VAL A1029 64.826 19.913 22.351 1.00 91.35 N ATOM 659 CA VAL A1029 63.748 18.925 22.234 1.00 90.53 C ATOM 660 C VAL A1029 63.491 18.267 23.593 1.00101.10 C ATOM 661 O VAL A1029 62.358 18.274 24.077 1.00102.17 O ATOM 662 CB VAL A1029 64.015 17.869 21.136 1.00 91.66 C ATOM 663 CG1 VAL A1029 63.069 16.680 21.249 1.00 91.02 C ATOM 664 CG2 VAL A1029 63.948 18.473 19.748 1.00 90.70 C ATOM 665 H VAL A1029 65.651 19.810 21.726 1.00 0.00 H ATOM 666 N THR A1030 64.560 17.728 24.207 1.00101.40 N ATOM 667 CA THR A1030 64.519 17.079 25.530 1.00102.53 C ATOM 668 C THR A1030 63.940 18.000 26.626 1.00105.91 C ATOM 669 O THR A1030 63.037 17.600 27.356 1.00103.23 O ATOM 670 CB THR A1030 65.923 16.621 25.945 1.00116.80 C ATOM 671 OG1 THR A1030 66.416 15.655 25.008 1.00120.11 O ATOM 672 CG2 THR A1030 65.944 16.036 27.355 1.00115.90 C ATOM 673 HG1 THR A1030 66.457 16.062 24.107 1.00 0.00 H ATOM 674 H THR A1030 65.476 17.772 23.716 1.00 0.00 H ATOM 675 N ARG A1031 64.495 19.210 26.746 1.00105.54 N ATOM 676 CA ARG A1031 64.089 20.211 27.733 1.00107.46 C ATOM 677 C ARG A1031 62.583 20.515 27.644 1.00117.43 C ATOM 678 O ARG A1031 61.901 20.505 28.672 1.00119.95 O ATOM 679 CB ARG A1031 64.924 21.506 27.593 1.00106.60 C ATOM 680 CG ARG A1031 64.654 22.555 28.674 1.00118.49 C ATOM 681 CD ARG A1031 65.344 23.893 28.408 1.00136.69 C ATOM 682 NE ARG A1031 64.624 24.722 27.434 1.00144.62 N ATOM 683 CZ ARG A1031 63.905 25.804 27.731 1.00153.80 C ATOM 684 NH1 ARG A1031 63.835 26.244 28.983 1.00141.46 N ATOM 685 NH2 ARG A1031 63.285 26.477 26.770 1.00134.65 N ATOM 686 HE ARG A1031 64.679 24.443 26.434 1.00 0.00 H ATOM 687 HH12 ARG A1031 63.272 27.089 29.206 1.00 0.00 H ATOM 688 HH11 ARG A1031 64.344 25.743 29.739 1.00 0.00 H ATOM 689 HH22 ARG A1031 62.725 27.321 27.005 1.00 0.00 H ATOM 690 HH21 ARG A1031 63.360 26.160 25.782 1.00 0.00 H ATOM 691 H ARG A1031 65.267 19.456 26.094 1.00 0.00 H ATOM 692 N LEU A1032 62.065 20.779 26.429 1.00113.35 N ATOM 693 CA LEU A1032 60.661 21.099 26.200 1.00111.69 C ATOM 694 C LEU A1032 59.750 19.915 26.416 1.00114.65 C ATOM 695 O LEU A1032 58.692 20.078 27.022 1.00113.70 O ATOM 696 CB LEU A1032 60.461 21.690 24.800 1.00111.18 C ATOM 697 CG LEU A1032 61.149 23.040 24.515 1.00115.42 C ATOM 698 CD1 LEU A1032 61.211 23.305 23.038 1.00115.77 C ATOM 699 CD2 LEU A1032 60.454 24.194 25.213 1.00115.98 C ATOM 700 H LEU A1032 62.703 20.753 25.608 1.00 0.00 H ATOM 701 N ALA A1033 60.182 18.752 25.994 1.00112.22 N ATOM 702 CA ALA A1033 59.362 17.595 26.151 1.00113.57 C ATOM 703 C ALA A1033 59.109 17.429 27.614 1.00125.19 C ATOM 704 O ALA A1033 58.050 16.994 28.010 1.00125.45 O ATOM 705 CB ALA A1033 60.059 16.378 25.597 1.00113.88 C ATOM 706 H ALA A1033 61.118 18.673 25.547 1.00 0.00 H ATOM 707 N LYS A1034 60.096 17.751 28.431 1.00126.49 N ATOM 708 CA LYS A1034 59.949 17.567 29.868 1.00127.89 C ATOM 709 C LYS A1034 58.849 18.360 30.556 1.00134.51 C ATOM 710 O LYS A1034 58.122 17.820 31.393 1.00134.31 O ATOM 711 CB LYS A1034 61.275 17.873 30.559 1.00130.40 C ATOM 712 CG LYS A1034 62.225 16.692 30.629 1.00144.68 C ATOM 713 CD LYS A1034 63.538 17.087 31.288 1.00155.75 C ATOM 714 CE LYS A1034 64.537 15.940 31.278 1.00163.03 C ATOM 715 NZ LYS A1034 65.942 16.424 31.365 1.00167.96 N ATOM 716 HZ1 LYS A1034 66.146 17.040 30.553 1.00 0.00 H ATOM 717 HZ2 LYS A1034 66.069 16.959 32.248 1.00 0.00 H ATOM 718 HZ3 LYS A1034 66.589 15.610 31.355 1.00 0.00 H ATOM 719 H LYS A1034 60.982 18.137 28.046 1.00 0.00 H ATOM 720 N GLU A1035 58.716 19.633 30.219 1.00132.43 N ATOM 721 CA GLU A1035 57.705 20.440 30.877 1.00132.72 C ATOM 722 C GLU A1035 56.334 19.878 30.570 1.00139.89 C ATOM 723 O GLU A1035 55.464 19.705 31.436 1.00139.01 O ATOM 724 CB GLU A1035 57.806 21.880 30.389 1.00133.55 C ATOM 725 CG GLU A1035 59.078 22.594 30.806 1.00140.49 C ATOM 726 CD GLU A1035 59.160 23.991 30.236 1.00154.56 C ATOM 727 OE1 GLU A1035 58.341 24.360 29.370 1.00157.97 O ATOM 728 OE2 GLU A1035 60.052 24.733 30.671 1.00137.05 O ATOM 729 H GLU A1035 59.329 20.051 29.490 1.00 0.00 H ATOM 730 N VAL A1036 56.174 19.557 29.309 1.00139.78 N ATOM 731 CA VAL A1036 54.947 19.025 28.807 1.00140.81 C ATOM 732 C VAL A1036 54.665 17.707 29.475 1.00147.11 C ATOM 733 O VAL A1036 53.542 17.405 29.836 1.00147.11 O ATOM 734 CB VAL A1036 55.091 18.803 27.298 1.00144.59 C ATOM 735 CG1 VAL A1036 53.926 18.005 26.737 1.00144.34 C ATOM 736 CG2 VAL A1036 55.259 20.137 26.592 1.00144.23 C ATOM 737 H VAL A1036 56.968 19.694 28.651 1.00 0.00 H ATOM 738 N ALA A1037 55.703 16.921 29.639 1.00145.14 N ATOM 739 CA ALA A1037 55.569 15.614 30.226 1.00145.93 C ATOM 740 C ALA A1037 55.044 15.722 31.635 1.00151.59 C ATOM 741 O ALA A1037 54.194 14.938 32.053 1.00150.81 O ATOM 742 CB ALA A1037 56.912 14.920 30.209 1.00146.74 C ATOM 743 H ALA A1037 56.643 17.250 29.338 1.00 0.00 H ATOM 744 N LYS A1038 55.566 16.689 32.374 1.00149.89 N ATOM 745 CA LYS A1038 55.097 16.909 33.735 1.00150.27 C ATOM 746 C LYS A1038 53.662 17.407 33.816 1.00156.81 C ATOM 747 O LYS A1038 52.921 17.019 34.708 1.00156.69 O ATOM 748 CB LYS A1038 56.037 17.798 34.541 1.00152.11 C ATOM 749 CG LYS A1038 56.861 16.991 35.533 1.00158.22 C ATOM 750 CD LYS A1038 57.667 17.865 36.473 1.00161.36 C ATOM 751 CE LYS A1038 58.447 17.010 37.455 1.00164.25 C ATOM 752 NZ LYS A1038 59.440 17.818 38.214 1.00169.64 N ATOM 753 HZ1 LYS A1038 60.112 18.253 37.550 1.00 0.00 H ATOM 754 HZ2 LYS A1038 58.945 18.563 38.746 1.00 0.00 H ATOM 755 HZ3 LYS A1038 59.954 17.201 38.875 1.00 0.00 H ATOM 756 H LYS A1038 56.315 17.294 31.980 1.00 0.00 H ATOM 757 N GLN A1039 53.307 18.290 32.887 1.00154.79 N ATOM 758 CA GLN A1039 51.981 18.897 32.820 1.00154.76 C ATOM 759 C GLN A1039 50.850 17.908 32.557 1.00161.07 C ATOM 760 O GLN A1039 49.766 18.031 33.127 1.00160.20 O ATOM 761 CB GLN A1039 51.957 20.004 31.763 1.00155.55 C ATOM 762 CG GLN A1039 52.834 21.201 32.097 1.00156.48 C ATOM 763 CD GLN A1039 52.438 21.884 33.394 1.00163.84 C ATOM 764 OE1 GLN A1039 51.253 22.036 33.689 1.00154.95 O ATOM 765 NE2 GLN A1039 53.429 22.301 34.175 1.00154.26 N ATOM 766 HE22 GLN A1039 54.417 22.152 33.886 1.00 0.00 H ATOM 767 HE21 GLN A1039 53.217 22.777 35.075 1.00 0.00 H ATOM 768 H GLN A1039 54.011 18.562 32.171 1.00 0.00 H ATOM 769 N CYS A1040 51.102 16.935 31.688 1.00160.91 N ATOM 770 CA CYS A1040 50.081 15.953 31.350 1.00162.82 C ATOM 771 C CYS A1040 49.676 15.132 32.566 1.00169.87 C ATOM 772 O CYS A1040 50.521 14.699 33.350 1.00170.03 O ATOM 773 CB CYS A1040 50.575 15.030 30.234 1.00163.90 C ATOM 774 SG CYS A1040 49.385 13.766 29.729 1.00168.27 S ATOM 775 H CYS A1040 52.040 16.874 31.244 1.00 0.00 H ATOM 776 N THR A1041 48.371 14.938 32.721 1.00168.34 N ATOM 777 CA THR A1041 47.823 14.176 33.835 1.00169.08 C ATOM 778 C THR A1041 47.722 12.699 33.479 1.00175.68 C ATOM 779 O THR A1041 47.320 11.877 34.302 1.00175.43 O ATOM 780 CB THR A1041 46.431 14.694 34.243 1.00172.95 C ATOM 781 OG1 THR A1041 46.524 16.071 34.626 1.00173.37 O ATOM 782 CG2 THR A1041 45.882 13.884 35.408 1.00167.26 C ATOM 783 HG1 THR A1041 45.628 16.401 34.888 1.00 0.00 H ATOM 784 H THR A1041 47.717 15.345 32.022 1.00 0.00 H ATOM 785 N ASP A1042 48.045 12.416 32.221 1.00173.95 N ATOM 786 CA ASP A1042 47.931 11.097 31.609 1.00174.66 C ATOM 787 C ASP A1042 48.776 9.952 32.148 1.00181.13 C ATOM 788 O ASP A1042 49.923 10.123 32.563 1.00181.21 O ATOM 789 CB ASP A1042 48.146 11.211 30.095 1.00176.31 C ATOM 790 CG ASP A1042 46.991 11.894 29.392 1.00182.13 C ATOM 791 OD1 ASP A1042 45.913 12.025 30.008 1.00186.58 O ATOM 792 OD2 ASP A1042 47.161 12.304 28.224 1.00181.31 O ATOM 793 H ASP A1042 48.405 13.192 31.630 1.00 0.00 H ATOM 794 N LYS A1043 48.163 8.774 32.116 1.00178.77 N ATOM 795 CA LYS A1043 48.773 7.530 32.544 1.00178.92 C ATOM 796 C LYS A1043 48.874 6.709 31.266 1.00182.82 C ATOM 797 O LYS A1043 47.971 6.745 30.430 1.00182.53 O ATOM 798 CB LYS A1043 47.933 6.860 33.630 1.00181.81 C ATOM 799 CG LYS A1043 48.508 5.548 34.138 1.00195.37 C ATOM 800 CD LYS A1043 47.625 4.938 35.215 1.00199.09 C ATOM 801 CE LYS A1043 48.201 3.626 35.723 1.00198.53 C ATOM 802 NZ LYS A1043 47.346 3.017 36.779 1.00201.98 N ATOM 803 HZ1 LYS A1043 47.270 3.673 37.582 1.00 0.00 H ATOM 804 HZ2 LYS A1043 46.399 2.830 36.392 1.00 0.00 H ATOM 805 HZ3 LYS A1043 47.774 2.125 37.098 1.00 0.00 H ATOM 806 H LYS A1043 47.186 8.742 31.762 1.00 0.00 H ATOM 807 N ARG A1044 49.972 5.987 31.092 1.00178.99 N ATOM 808 CA ARG A1044 50.153 5.164 29.900 1.00178.62 C ATOM 809 C ARG A1044 50.700 5.944 28.703 1.00183.16 C ATOM 810 O ARG A1044 50.939 5.369 27.642 1.00182.74 O ATOM 811 CB ARG A1044 48.837 4.481 29.520 1.00177.79 C ATOM 812 CG ARG A1044 48.280 3.562 30.596 1.00184.78 C ATOM 813 CD ARG A1044 46.977 2.918 30.151 1.00191.49 C ATOM 814 NE ARG A1044 46.428 2.033 31.174 1.00199.70 N ATOM 815 CZ ARG A1044 46.707 0.737 31.270 1.00215.59 C ATOM 816 NH1 ARG A1044 47.532 0.169 30.401 1.00202.97 N ATOM 817 NH2 ARG A1044 46.161 0.008 32.233 1.00203.11 N ATOM 818 HE ARG A1044 45.776 2.443 31.873 1.00 0.00 H ATOM 819 HH12 ARG A1044 47.750 -0.845 30.477 1.00 0.00 H ATOM 820 HH11 ARG A1044 47.961 0.738 29.643 1.00 0.00 H ATOM 821 HH22 ARG A1044 46.381 -1.006 32.306 1.00 0.00 H ATOM 822 HH21 ARG A1044 45.513 0.450 32.916 1.00 0.00 H ATOM 823 H ARG A1044 50.717 6.007 31.817 1.00 0.00 H ATOM 824 N ILE A1045 50.910 7.246 28.877 1.00180.24 N ATOM 825 CA ILE A1045 51.465 8.054 27.831 1.00180.23 C ATOM 826 C ILE A1045 52.526 8.975 28.417 1.00185.44 C ATOM 827 O ILE A1045 53.580 9.130 27.822 1.00185.95 O ATOM 828 CB ILE A1045 50.339 8.786 27.083 1.00182.99 C ATOM 829 CG1 ILE A1045 49.480 7.746 26.358 1.00183.24 C ATOM 830 CG2 ILE A1045 50.887 9.825 26.119 1.00183.30 C ATOM 831 CD1 ILE A1045 48.184 8.277 25.792 1.00190.60 C ATOM 832 H ILE A1045 50.667 7.685 29.788 1.00 0.00 H ATOM 833 N ARG A1046 52.281 9.555 29.585 1.00181.54 N ATOM 834 CA ARG A1046 53.268 10.450 30.187 1.00181.15 C ATOM 835 C ARG A1046 54.585 9.742 30.513 1.00184.51 C ATOM 836 O ARG A1046 55.686 10.273 30.289 1.00184.00 O ATOM 837 CB ARG A1046 52.680 11.111 31.427 1.00181.63 C ATOM 838 CG ARG A1046 53.627 12.084 32.114 1.00194.14 C ATOM 839 CD ARG A1046 52.947 12.760 33.300 1.00206.03 C ATOM 840 NE ARG A1046 52.608 11.818 34.366 1.00214.44 N ATOM 841 CZ ARG A1046 53.452 11.403 35.301 1.00227.65 C ATOM 842 NH1 ARG A1046 54.695 11.858 35.338 1.00215.42 N ATOM 843 NH2 ARG A1046 53.040 10.546 36.213 1.00212.17 N ATOM 844 HE ARG A1046 51.637 11.447 34.393 1.00 0.00 H ATOM 845 HH12 ARG A1046 55.349 11.526 36.076 1.00 0.00 H ATOM 846 HH11 ARG A1046 55.018 12.548 34.629 1.00 0.00 H ATOM 847 HH22 ARG A1046 53.695 10.215 36.950 1.00 0.00 H ATOM 848 HH21 ARG A1046 52.059 10.200 36.196 1.00 0.00 H ATOM 849 H ARG A1046 51.382 9.372 30.075 1.00 0.00 H ATOM 850 N THR A1047 54.474 8.533 31.034 1.00180.48 N ATOM 851 CA THR A1047 55.657 7.774 31.371 1.00179.92 C ATOM 852 C THR A1047 56.435 7.520 30.089 1.00182.01 C ATOM 853 O THR A1047 57.657 7.675 30.040 1.00181.91 O ATOM 854 CB THR A1047 55.263 6.438 32.055 1.00188.62 C ATOM 855 OG1 THR A1047 54.432 5.679 31.171 1.00187.51 O ATOM 856 CG2 THR A1047 54.509 6.650 33.370 1.00187.57 C ATOM 857 HG1 THR A1047 54.928 5.490 30.335 1.00 0.00 H ATOM 858 H THR A1047 53.532 8.126 31.202 1.00 0.00 H ATOM 859 N ASN A1048 55.718 7.154 29.040 1.00176.20 N ATOM 860 CA ASN A1048 56.366 6.859 27.783 1.00174.78 C ATOM 861 C ASN A1048 57.085 8.077 27.269 1.00176.15 C ATOM 862 O ASN A1048 58.197 7.989 26.765 1.00175.22 O ATOM 863 CB ASN A1048 55.334 6.379 26.777 1.00173.68 C ATOM 864 CG ASN A1048 54.552 5.197 27.292 1.00185.68 C ATOM 865 OD1 ASN A1048 54.687 4.828 28.455 1.00177.16 O ATOM 866 ND2 ASN A1048 53.740 4.592 26.436 1.00173.67 N ATOM 867 HD22 ASN A1048 53.659 4.942 25.460 1.00 0.00 H ATOM 868 HD21 ASN A1048 53.184 3.768 26.741 1.00 0.00 H ATOM 869 H ASN A1048 54.684 7.078 29.120 1.00 0.00 H ATOM 870 N LEU A1049 56.453 9.226 27.405 1.00171.64 N ATOM 871 CA LEU A1049 57.069 10.441 26.931 1.00171.13 C ATOM 872 C LEU A1049 58.363 10.720 27.665 1.00174.91 C ATOM 873 O LEU A1049 59.375 11.038 27.046 1.00174.53 O ATOM 874 CB LEU A1049 56.117 11.615 27.142 1.00171.01 C ATOM 875 CG LEU A1049 56.759 12.996 27.057 1.00175.54 C ATOM 876 CD1 LEU A1049 57.494 13.125 25.738 1.00175.76 C ATOM 877 CD2 LEU A1049 55.756 14.123 27.242 1.00177.52 C ATOM 878 H LEU A1049 55.514 9.256 27.852 1.00 0.00 H ATOM 879 N LEU A1050 58.348 10.587 28.983 1.00170.94 N ATOM 880 CA LEU A1050 59.564 10.868 29.735 1.00170.22 C ATOM 881 C LEU A1050 60.718 9.929 29.401 1.00171.53 C ATOM 882 O LEU A1050 61.861 10.345 29.244 1.00171.12 O ATOM 883 CB LEU A1050 59.254 10.859 31.221 1.00170.50 C ATOM 884 CG LEU A1050 58.540 12.149 31.614 1.00175.48 C ATOM 885 CD1 LEU A1050 57.630 11.985 32.821 1.00175.90 C ATOM 886 CD2 LEU A1050 59.534 13.284 31.812 1.00177.53 C ATOM 887 H LEU A1050 57.482 10.287 29.473 1.00 0.00 H ATOM 888 N GLN A1051 60.393 8.655 29.279 1.00165.55 N ATOM 889 CA GLN A1051 61.362 7.611 28.974 1.00163.96 C ATOM 890 C GLN A1051 62.009 7.863 27.617 1.00163.91 C ATOM 891 O GLN A1051 63.219 7.708 27.449 1.00163.18 O ATOM 892 CB GLN A1051 60.692 6.236 28.991 1.00165.40 C ATOM 893 CG GLN A1051 60.062 5.869 30.325 1.00182.68 C ATOM 894 CD GLN A1051 59.405 4.503 30.303 1.00202.50 C ATOM 895 OE1 GLN A1051 59.416 3.812 29.284 1.00197.94 O ATOM 896 NE2 GLN A1051 58.829 4.105 31.431 1.00194.05 N ATOM 897 HE22 GLN A1051 58.844 4.722 32.268 1.00 0.00 H ATOM 898 HE21 GLN A1051 58.363 3.176 31.477 1.00 0.00 H ATOM 899 H GLN A1051 59.397 8.384 29.407 1.00 0.00 H ATOM 900 N VAL A1052 61.182 8.251 26.653 1.00157.73 N ATOM 901 CA VAL A1052 61.630 8.526 25.292 1.00156.02 C ATOM 902 C VAL A1052 62.569 9.720 25.154 1.00156.53 C ATOM 903 O VAL A1052 63.523 9.686 24.376 1.00155.51 O ATOM 904 CB VAL A1052 60.432 8.727 24.341 1.00159.58 C ATOM 905 CG1 VAL A1052 60.917 9.024 22.931 1.00159.27 C ATOM 906 CG2 VAL A1052 59.533 7.500 24.355 1.00159.39 C ATOM 907 H VAL A1052 60.173 8.364 26.878 1.00 0.00 H ATOM 908 N CYS A1053 62.282 10.780 25.901 1.00151.52 N ATOM 909 CA CYS A1053 63.059 12.008 25.822 1.00151.06 C ATOM 910 C CYS A1053 64.264 12.035 26.783 1.00154.45 C ATOM 911 O CYS A1053 65.139 12.886 26.623 1.00154.07 O ATOM 912 CB CYS A1053 62.192 13.265 25.911 1.00151.57 C ATOM 913 SG CYS A1053 61.722 13.777 27.582 1.00155.56 S ATOM 914 H CYS A1053 61.480 10.731 26.561 1.00 0.00 H ATOM 915 N GLU A1054 64.384 11.025 27.668 1.00150.37 N ATOM 916 CA GLU A1054 65.563 10.904 28.538 1.00149.21 C ATOM 917 C GLU A1054 66.690 10.048 27.900 1.00149.48 C ATOM 918 O GLU A1054 67.831 10.089 28.382 1.00149.08 O ATOM 919 CB GLU A1054 65.182 10.430 29.943 1.00150.59 C ATOM 920 CG GLU A1054 64.458 11.513 30.735 1.00160.87 C ATOM 921 CD GLU A1054 63.696 11.108 31.987 1.00185.32 C ATOM 922 OE1 GLU A1054 63.507 9.890 32.215 1.00174.95 O ATOM 923 OE2 GLU A1054 63.267 12.023 32.731 1.00183.74 O ATOM 924 H GLU A1054 63.626 10.316 27.737 1.00 0.00 H ATOM 925 N ARG A1055 66.379 9.332 26.789 1.00142.28 N ATOM 926 CA ARG A1055 67.363 8.577 25.995 1.00139.97 C ATOM 927 C ARG A1055 68.187 9.541 25.127 1.00138.20 C ATOM 928 O ARG A1055 69.358 9.290 24.859 1.00136.16 O ATOM 929 CB ARG A1055 66.672 7.584 25.037 1.00141.08 C ATOM 930 CG ARG A1055 66.011 6.379 25.704 1.00155.33 C ATOM 931 CD ARG A1055 65.873 5.141 24.812 1.00169.36 C ATOM 932 NE ARG A1055 65.375 5.399 23.455 1.00183.13 N ATOM 933 CZ ARG A1055 64.108 5.252 23.066 1.00200.09 C ATOM 934 NH1 ARG A1055 63.176 4.884 23.936 1.00187.59 N ATOM 935 NH2 ARG A1055 63.762 5.486 21.807 1.00188.42 N ATOM 936 HE ARG A1055 66.062 5.721 22.744 1.00 0.00 H ATOM 937 HH12 ARG A1055 62.190 4.771 23.625 1.00 0.00 H ATOM 938 HH11 ARG A1055 63.432 4.708 24.929 1.00 0.00 H ATOM 939 HH22 ARG A1055 62.772 5.370 21.509 1.00 0.00 H ATOM 940 HH21 ARG A1055 64.480 5.786 21.117 1.00 0.00 H ATOM 941 H ARG A1055 65.386 9.316 26.480 1.00 0.00 H ATOM 942 N ILE A1056 67.559 10.653 24.708 1.00132.76 N ATOM 943 CA ILE A1056 68.091 11.603 23.726 1.00131.30 C ATOM 944 C ILE A1056 69.455 12.243 24.097 1.00130.87 C ATOM 945 O ILE A1056 70.332 12.265 23.224 1.00130.66 O ATOM 946 CB ILE A1056 67.037 12.671 23.339 1.00134.39 C ATOM 947 CG1 ILE A1056 65.860 12.010 22.591 1.00134.59 C ATOM 948 CG2 ILE A1056 67.664 13.770 22.487 1.00135.25 C ATOM 949 CD1 ILE A1056 64.626 12.872 22.444 1.00141.19 C ATOM 950 H ILE A1056 66.622 10.855 25.112 1.00 0.00 H ATOM 951 N PRO A1057 69.672 12.753 25.329 1.00123.77 N ATOM 952 CA PRO A1057 70.975 13.369 25.641 1.00122.58 C ATOM 953 C PRO A1057 72.157 12.403 25.544 1.00122.21 C ATOM 954 O PRO A1057 73.255 12.807 25.144 1.00122.04 O ATOM 955 CB PRO A1057 70.788 13.891 27.070 1.00124.74 C ATOM 956 CG PRO A1057 69.312 13.999 27.258 1.00129.35 C ATOM 957 CD PRO A1057 68.757 12.848 26.486 1.00124.80 C ATOM 958 N THR A1058 71.911 11.124 25.884 1.00114.61 N ATOM 959 CA THR A1058 72.883 10.039 25.810 1.00112.39 C ATOM 960 C THR A1058 73.232 9.794 24.341 1.00110.61 C ATOM 961 O THR A1058 74.411 9.767 23.984 1.00108.82 O ATOM 962 CB THR A1058 72.316 8.793 26.519 1.00124.84 C ATOM 963 OG1 THR A1058 72.220 9.043 27.923 1.00127.48 O ATOM 964 CG2 THR A1058 73.132 7.533 26.264 1.00125.21 C ATOM 965 HG1 THR A1058 71.856 8.241 28.376 1.00 0.00 H ATOM 966 H THR A1058 70.956 10.892 26.225 1.00 0.00 H ATOM 967 N ILE A1059 72.198 9.661 23.493 1.00104.86 N ATOM 968 CA ILE A1059 72.356 9.401 22.065 1.00103.26 C ATOM 969 C ILE A1059 73.098 10.547 21.368 1.00106.62 C ATOM 970 O ILE A1059 73.999 10.297 20.565 1.00105.90 O ATOM 971 CB ILE A1059 71.004 9.044 21.392 1.00105.55 C ATOM 972 CG1 ILE A1059 70.359 7.823 22.070 1.00106.52 C ATOM 973 CG2 ILE A1059 71.194 8.746 19.910 1.00105.29 C ATOM 974 CD1 ILE A1059 68.843 7.619 21.827 1.00120.35 C ATOM 975 H ILE A1059 71.234 9.748 23.874 1.00 0.00 H ATOM 976 N SER A1060 72.765 11.788 21.717 1.00102.81 N ATOM 977 CA SER A1060 73.391 12.940 21.096 1.00102.53 C ATOM 978 C SER A1060 74.790 13.226 21.628 1.00105.91 C ATOM 979 O SER A1060 75.609 13.778 20.887 1.00105.90 O ATOM 980 CB SER A1060 72.491 14.160 21.168 1.00106.79 C ATOM 981 OG SER A1060 72.398 14.675 22.483 1.00117.42 O ATOM 982 HG SER A1060 71.804 15.467 22.485 1.00 0.00 H ATOM 983 H SER A1060 72.041 11.934 22.450 1.00 0.00 H ATOM 984 N THR A1061 75.101 12.820 22.867 1.00101.17 N ATOM 985 CA THR A1061 76.487 12.935 23.330 1.00100.31 C ATOM 986 C THR A1061 77.332 11.869 22.616 1.00101.02 C ATOM 987 O THR A1061 78.445 12.163 22.181 1.00100.14 O ATOM 988 CB THR A1061 76.641 12.979 24.835 1.00110.43 C ATOM 989 OG1 THR A1061 75.837 11.983 25.442 1.00113.08 O ATOM 990 CG2 THR A1061 76.295 14.332 25.399 1.00111.28 C ATOM 991 HG1 THR A1061 74.888 12.140 25.209 1.00 0.00 H ATOM 992 H THR A1061 74.368 12.428 23.492 1.00 0.00 H ATOM 993 N GLN A1062 76.755 10.676 22.396 1.00 95.13 N ATOM 994 CA GLN A1062 77.396 9.613 21.640 1.00 93.56 C ATOM 995 C GLN A1062 77.614 10.040 20.190 1.00100.37 C ATOM 996 O GLN A1062 78.649 9.685 19.617 1.00100.63 O ATOM 997 CB GLN A1062 76.554 8.348 21.693 1.00 94.12 C ATOM 998 CG GLN A1062 76.675 7.591 23.005 1.00 87.46 C ATOM 999 CD GLN A1062 76.127 6.190 22.944 1.00 98.56 C ATOM 1000 OE1 GLN A1062 75.802 5.644 21.874 1.00 91.48 O ATOM 1001 NE2 GLN A1062 76.059 5.558 24.101 1.00 93.19 N ATOM 1002 HE22 GLN A1062 76.339 6.045 24.977 1.00 0.00 H ATOM 1003 HE21 GLN A1062 75.726 4.573 24.137 1.00 0.00 H ATOM 1004 H GLN A1062 75.806 10.505 22.785 1.00 0.00 H ATOM 1005 N LEU A1063 76.664 10.832 19.603 1.00 98.50 N ATOM 1006 CA LEU A1063 76.785 11.368 18.235 1.00 98.24 C ATOM 1007 C LEU A1063 77.989 12.302 18.126 1.00 98.81 C ATOM 1008 O LEU A1063 78.687 12.257 17.122 1.00 96.47 O ATOM 1009 CB LEU A1063 75.503 12.096 17.803 1.00 98.99 C ATOM 1010 CG LEU A1063 75.491 12.733 16.391 1.00104.44 C ATOM 1011 CD1 LEU A1063 75.141 11.708 15.304 1.00104.21 C ATOM 1012 CD2 LEU A1063 74.530 13.895 16.336 1.00107.38 C ATOM 1013 H LEU A1063 75.812 11.068 20.151 1.00 0.00 H ATOM 1014 N LYS A1064 78.234 13.133 19.158 1.00 95.25 N ATOM 1015 CA LYS A1064 79.370 14.061 19.206 1.00 95.57 C ATOM 1016 C LYS A1064 80.690 13.293 19.261 1.00 97.83 C ATOM 1017 O LYS A1064 81.639 13.662 18.563 1.00 98.26 O ATOM 1018 CB LYS A1064 79.270 15.016 20.409 1.00 99.05 C ATOM 1019 CG LYS A1064 78.143 16.043 20.325 1.00115.40 C ATOM 1020 CD LYS A1064 78.296 17.148 21.378 1.00127.43 C ATOM 1021 CE LYS A1064 77.748 16.777 22.750 1.00140.98 C ATOM 1022 NZ LYS A1064 77.899 17.876 23.744 1.00153.99 N ATOM 1023 HZ1 LYS A1064 78.907 18.106 23.854 1.00 0.00 H ATOM 1024 HZ2 LYS A1064 77.385 18.716 23.411 1.00 0.00 H ATOM 1025 HZ3 LYS A1064 77.510 17.570 24.659 1.00 0.00 H ATOM 1026 H LYS A1064 77.581 13.116 19.967 1.00 0.00 H ATOM 1027 N ILE A1065 80.747 12.223 20.081 1.00 91.67 N ATOM 1028 CA ILE A1065 81.929 11.360 20.197 1.00 90.50 C ATOM 1029 C ILE A1065 82.252 10.697 18.842 1.00 95.32 C ATOM 1030 O ILE A1065 83.360 10.838 18.319 1.00 93.72 O ATOM 1031 CB ILE A1065 81.735 10.300 21.311 1.00 92.64 C ATOM 1032 CG1 ILE A1065 81.744 10.935 22.705 1.00 92.11 C ATOM 1033 CG2 ILE A1065 82.782 9.193 21.198 1.00 93.79 C ATOM 1034 CD1 ILE A1065 81.111 10.064 23.817 1.00 92.11 C ATOM 1035 H ILE A1065 79.912 11.999 20.659 1.00 0.00 H ATOM 1036 N LEU A1066 81.261 10.013 18.275 1.00 94.12 N ATOM 1037 CA LEU A1066 81.425 9.264 17.043 1.00 95.64 C ATOM 1038 C LEU A1066 81.677 10.151 15.820 1.00104.14 C ATOM 1039 O LEU A1066 82.369 9.717 14.896 1.00105.04 O ATOM 1040 CB LEU A1066 80.251 8.295 16.826 1.00 95.76 C ATOM 1041 CG LEU A1066 80.124 7.167 17.858 1.00100.94 C ATOM 1042 CD1 LEU A1066 78.825 6.333 17.640 1.00101.26 C ATOM 1043 CD2 LEU A1066 81.403 6.319 17.917 1.00103.93 C ATOM 1044 H LEU A1066 80.328 10.015 18.735 1.00 0.00 H ATOM 1045 N SER A1067 81.163 11.389 15.816 1.00102.39 N ATOM 1046 CA SER A1067 81.428 12.309 14.704 1.00102.99 C ATOM 1047 C SER A1067 82.853 12.841 14.790 1.00107.92 C ATOM 1048 O SER A1067 83.482 13.033 13.752 1.00107.83 O ATOM 1049 CB SER A1067 80.465 13.477 14.712 1.00107.77 C ATOM 1050 OG SER A1067 80.430 14.025 16.015 1.00123.02 O ATOM 1051 HG SER A1067 80.126 13.333 16.655 1.00 0.00 H ATOM 1052 H SER A1067 80.569 11.701 16.611 1.00 0.00 H ATOM 1053 N THR A1068 83.380 13.048 16.021 1.00104.79 N ATOM 1054 CA THR A1068 84.757 13.515 16.205 1.00104.86 C ATOM 1055 C THR A1068 85.719 12.412 15.766 1.00108.89 C ATOM 1056 O THR A1068 86.720 12.680 15.091 1.00107.06 O ATOM 1057 CB THR A1068 84.985 13.973 17.643 1.00113.66 C ATOM 1058 OG1 THR A1068 83.971 14.907 18.005 1.00116.10 O ATOM 1059 CG2 THR A1068 86.338 14.626 17.830 1.00113.17 C ATOM 1060 HG1 THR A1068 83.084 14.474 17.931 1.00 0.00 H ATOM 1061 H THR A1068 82.791 12.870 16.859 1.00 0.00 H ATOM 1062 N VAL A1069 85.381 11.178 16.043 1.00106.15 N ATOM 1063 CA VAL A1069 86.251 10.136 15.597 1.00105.76 C ATOM 1064 C VAL A1069 86.352 10.092 14.086 1.00109.97 C ATOM 1065 O VAL A1069 87.444 9.998 13.545 1.00109.83 O ATOM 1066 CB VAL A1069 85.696 8.801 16.061 1.00110.05 C ATOM 1067 CG1 VAL A1069 86.535 7.657 15.546 1.00109.86 C ATOM 1068 CG2 VAL A1069 85.636 8.774 17.570 1.00110.11 C ATOM 1069 H VAL A1069 84.510 10.964 16.569 1.00 0.00 H ATOM 1070 N LYS A1070 85.222 10.176 13.402 1.00107.11 N ATOM 1071 CA LYS A1070 85.227 10.085 11.944 1.00107.44 C ATOM 1072 C LYS A1070 85.976 11.205 11.233 1.00115.94 C ATOM 1073 O LYS A1070 86.718 10.976 10.265 1.00115.75 O ATOM 1074 CB LYS A1070 83.802 9.971 11.412 1.00108.06 C ATOM 1075 CG LYS A1070 83.712 9.799 9.905 1.00114.20 C ATOM 1076 CD LYS A1070 82.287 9.933 9.393 1.00124.64 C ATOM 1077 CE LYS A1070 82.183 9.688 7.889 1.00136.48 C ATOM 1078 NZ LYS A1070 82.432 8.266 7.492 1.00141.87 N ATOM 1079 HZ1 LYS A1070 83.390 7.988 7.786 1.00 0.00 H ATOM 1080 HZ2 LYS A1070 81.733 7.651 7.956 1.00 0.00 H ATOM 1081 HZ3 LYS A1070 82.345 8.175 6.460 1.00 0.00 H ATOM 1082 H LYS A1070 84.322 10.308 13.907 1.00 0.00 H ATOM 1083 N ALA A1071 85.722 12.439 11.664 1.00115.77 N ATOM 1084 CA ALA A1071 86.310 13.619 11.026 1.00117.20 C ATOM 1085 C ALA A1071 87.830 13.766 11.071 1.00125.48 C ATOM 1086 O ALA A1071 88.449 14.095 10.059 1.00124.21 O ATOM 1087 CB ALA A1071 85.648 14.883 11.561 1.00117.82 C ATOM 1088 H ALA A1071 85.087 12.569 12.478 1.00 0.00 H ATOM 1089 N THR A1072 88.436 13.527 12.227 1.00126.11 N ATOM 1090 CA THR A1072 89.884 13.650 12.332 1.00127.06 C ATOM 1091 C THR A1072 90.552 12.608 11.449 1.00132.34 C ATOM 1092 O THR A1072 91.531 12.883 10.755 1.00132.49 O ATOM 1093 CB THR A1072 90.364 13.469 13.783 1.00137.24 C ATOM 1094 OG1 THR A1072 89.967 12.178 14.263 1.00136.90 O ATOM 1095 CG2 THR A1072 89.769 14.544 14.680 1.00135.86 C ATOM 1096 HG1 THR A1072 88.980 12.104 14.231 1.00 0.00 H ATOM 1097 H THR A1072 87.877 13.251 13.059 1.00 0.00 H ATOM 1098 N MET A1073 90.052 11.383 11.602 1.00129.95 N ATOM 1099 CA MET A1073 90.509 10.158 10.935 1.00130.67 C ATOM 1100 C MET A1073 90.334 9.980 9.425 1.00139.03 C ATOM 1101 O MET A1073 91.191 9.395 8.764 1.00138.78 O ATOM 1102 CB MET A1073 89.925 8.934 11.653 1.00132.60 C ATOM 1103 CG MET A1073 88.406 8.892 11.670 1.00135.36 C ATOM 1104 SD MET A1073 87.761 7.438 12.520 1.00138.20 S ATOM 1105 CE MET A1073 88.465 6.125 11.526 1.00134.31 C ATOM 1106 H MET A1073 89.255 11.284 12.263 1.00 0.00 H ATOM 1107 N LEU A1074 89.247 10.480 8.851 1.00139.22 N ATOM 1108 CA LEU A1074 89.029 10.288 7.413 1.00140.93 C ATOM 1109 C LEU A1074 90.077 10.900 6.468 1.00150.34 C ATOM 1110 O LEU A1074 90.487 12.049 6.627 1.00149.61 O ATOM 1111 CB LEU A1074 87.633 10.783 7.021 1.00140.88 C ATOM 1112 CG LEU A1074 86.450 10.020 7.621 1.00145.08 C ATOM 1113 CD1 LEU A1074 85.137 10.703 7.271 1.00144.76 C ATOM 1114 CD2 LEU A1074 86.449 8.574 7.150 1.00146.54 C ATOM 1115 H LEU A1074 88.552 11.006 9.419 1.00 0.00 H ATOM 1116 N GLY A1075 90.488 10.103 5.480 1.00151.17 N ATOM 1117 CA GLY A1075 91.448 10.500 4.457 1.00152.43 C ATOM 1118 C GLY A1075 92.920 10.457 4.834 1.00159.40 C ATOM 1119 O GLY A1075 93.787 10.813 4.037 1.00159.09 O ATOM 1120 H GLY A1075 90.100 9.139 5.437 1.00 0.00 H ATOM 1121 N ARG A1076 93.190 10.071 6.079 1.00158.13 N ATOM 1122 CA ARG A1076 94.549 10.030 6.639 1.00158.79 C ATOM 1123 C ARG A1076 95.611 9.059 6.101 1.00164.33 C ATOM 1124 O ARG A1076 96.790 9.409 6.050 1.00163.90 O ATOM 1125 CB ARG A1076 94.475 9.829 8.158 1.00158.75 C ATOM 1126 CG ARG A1076 93.725 10.927 8.894 1.00166.89 C ATOM 1127 CD ARG A1076 93.697 10.668 10.391 1.00176.17 C ATOM 1128 NE ARG A1076 95.040 10.607 10.961 1.00186.54 N ATOM 1129 CZ ARG A1076 95.298 10.392 12.247 1.00200.50 C ATOM 1130 NH1 ARG A1076 94.301 10.217 13.104 1.00186.37 N ATOM 1131 NH2 ARG A1076 96.551 10.353 12.677 1.00187.21 N ATOM 1132 HE ARG A1076 95.847 10.740 10.319 1.00 0.00 H ATOM 1133 HH12 ARG A1076 94.504 10.049 14.110 1.00 0.00 H ATOM 1134 HH11 ARG A1076 93.317 10.248 12.770 1.00 0.00 H ATOM 1135 HH22 ARG A1076 96.750 10.185 13.684 1.00 0.00 H ATOM 1136 HH21 ARG A1076 97.335 10.491 12.008 1.00 0.00 H ATOM 1137 H ARG A1076 92.398 9.783 6.688 1.00 0.00 H ATOM 1138 N THR A1077 95.164 7.855 5.758 1.00161.65 N ATOM 1139 CA THR A1077 96.027 6.786 5.281 1.00161.28 C ATOM 1140 C THR A1077 96.658 6.049 6.465 1.00164.55 C ATOM 1141 O THR A1077 97.375 5.064 6.285 1.00163.88 O ATOM 1142 CB THR A1077 97.149 7.343 4.387 1.00169.35 C ATOM 1143 OG1 THR A1077 96.576 8.009 3.255 1.00169.92 O ATOM 1144 CG2 THR A1077 98.053 6.219 3.904 1.00167.00 C ATOM 1145 HG1 THR A1077 97.300 8.366 2.682 1.00 0.00 H ATOM 1146 H THR A1077 94.144 7.668 5.835 1.00 0.00 H ATOM 1147 N ASN A1078 96.380 6.533 7.675 1.00160.68 N ATOM 1148 CA ASN A1078 96.901 5.925 8.899 1.00160.03 C ATOM 1149 C ASN A1078 95.865 5.040 9.598 1.00162.99 C ATOM 1150 O ASN A1078 96.158 4.413 10.616 1.00162.75 O ATOM 1151 CB ASN A1078 97.405 7.002 9.863 1.00159.72 C ATOM 1152 CG ASN A1078 98.207 6.426 11.014 1.00178.40 C ATOM 1153 OD1 ASN A1078 98.873 5.401 10.870 1.00175.85 O ATOM 1154 ND2 ASN A1078 98.149 7.087 12.164 1.00165.69 N ATOM 1155 HD22 ASN A1078 97.573 7.949 12.240 1.00 0.00 H ATOM 1156 HD21 ASN A1078 98.680 6.742 12.989 1.00 0.00 H ATOM 1157 H ASN A1078 95.771 7.373 7.752 1.00 0.00 H ATOM 1158 N ILE A1079 94.656 4.995 9.047 1.00158.29 N ATOM 1159 CA ILE A1079 93.571 4.194 9.609 1.00157.27 C ATOM 1160 C ILE A1079 93.132 3.171 8.572 1.00157.39 C ATOM 1161 O ILE A1079 92.960 3.514 7.402 1.00156.99 O ATOM 1162 CB ILE A1079 92.367 5.066 10.008 1.00160.69 C ATOM 1163 CG1 ILE A1079 92.739 5.997 11.163 1.00161.29 C ATOM 1164 CG2 ILE A1079 91.180 4.193 10.386 1.00161.47 C ATOM 1165 CD1 ILE A1079 91.707 7.067 11.446 1.00170.43 C ATOM 1166 H ILE A1079 94.476 5.549 8.186 1.00 0.00 H ATOM 1167 N SER A1080 92.958 1.917 8.979 1.00150.64 N ATOM 1168 CA SER A1080 92.568 0.905 7.998 1.00148.43 C ATOM 1169 C SER A1080 91.198 1.202 7.417 1.00149.41 C ATOM 1170 O SER A1080 90.445 2.003 7.977 1.00149.11 O ATOM 1171 CB SER A1080 92.572 -0.486 8.625 1.00149.67 C ATOM 1172 OG SER A1080 91.649 -0.600 9.695 1.00151.63 O ATOM 1173 HG SER A1080 91.689 -1.516 10.067 1.00 0.00 H ATOM 1174 H SER A1080 93.097 1.661 9.977 1.00 0.00 H ATOM 1175 N ASP A1081 90.861 0.543 6.301 1.00143.32 N ATOM 1176 CA ASP A1081 89.539 0.698 5.703 1.00141.80 C ATOM 1177 C ASP A1081 88.479 0.016 6.564 1.00139.99 C ATOM 1178 O ASP A1081 87.312 0.375 6.473 1.00139.14 O ATOM 1179 CB ASP A1081 89.527 0.225 4.244 1.00144.49 C ATOM 1180 CG ASP A1081 90.294 1.169 3.323 1.00161.82 C ATOM 1181 OD1 ASP A1081 90.583 2.313 3.751 1.00163.89 O ATOM 1182 OD2 ASP A1081 90.590 0.771 2.163 1.00168.97 O ATOM 1183 H ASP A1081 91.554 -0.090 5.853 1.00 0.00 H ATOM 1184 N GLU A1082 88.904 -0.920 7.440 1.00133.19 N ATOM 1185 CA GLU A1082 88.032 -1.640 8.376 1.00131.74 C ATOM 1186 C GLU A1082 87.585 -0.735 9.518 1.00133.43 C ATOM 1187 O GLU A1082 86.389 -0.669 9.806 1.00132.62 O ATOM 1188 CB GLU A1082 88.724 -2.890 8.940 1.00133.24 C ATOM 1189 CG GLU A1082 89.025 -3.959 7.897 1.00147.84 C ATOM 1190 CD GLU A1082 87.867 -4.533 7.090 1.00180.69 C ATOM 1191 OE1 GLU A1082 86.782 -4.762 7.673 1.00186.22 O ATOM 1192 OE2 GLU A1082 88.060 -4.778 5.877 1.00176.80 O ATOM 1193 H GLU A1082 89.919 -1.146 7.452 1.00 0.00 H ATOM 1194 N GLU A1083 88.552 -0.056 10.182 1.00128.78 N ATOM 1195 CA GLU A1083 88.297 0.912 11.258 1.00127.47 C ATOM 1196 C GLU A1083 87.429 2.049 10.711 1.00127.77 C ATOM 1197 O GLU A1083 86.497 2.472 11.386 1.00127.77 O ATOM 1198 CB GLU A1083 89.615 1.517 11.782 1.00128.94 C ATOM 1199 CG GLU A1083 90.356 0.692 12.818 1.00137.72 C ATOM 1200 CD GLU A1083 91.606 1.399 13.319 1.00149.62 C ATOM 1201 OE1 GLU A1083 91.459 2.290 14.186 1.00131.42 O ATOM 1202 OE2 GLU A1083 92.719 1.109 12.817 1.00139.44 O ATOM 1203 H GLU A1083 89.541 -0.232 9.912 1.00 0.00 H ATOM 1204 N SER A1084 87.743 2.533 9.484 1.00120.48 N ATOM 1205 CA SER A1084 87.032 3.611 8.807 1.00117.96 C ATOM 1206 C SER A1084 85.577 3.234 8.563 1.00117.78 C ATOM 1207 O SER A1084 84.692 3.975 8.976 1.00117.26 O ATOM 1208 CB SER A1084 87.742 3.986 7.513 1.00120.67 C ATOM 1209 OG SER A1084 87.049 5.019 6.841 1.00128.72 O ATOM 1210 HG SER A1084 87.528 5.246 6.005 1.00 0.00 H ATOM 1211 H SER A1084 88.551 2.104 8.989 1.00 0.00 H ATOM 1212 N GLU A1085 85.331 2.065 7.951 1.00112.57 N ATOM 1213 CA GLU A1085 83.981 1.564 7.682 1.00111.99 C ATOM 1214 C GLU A1085 83.212 1.265 8.968 1.00113.80 C ATOM 1215 O GLU A1085 82.012 1.547 9.051 1.00113.25 O ATOM 1216 CB GLU A1085 84.012 0.339 6.755 1.00113.80 C ATOM 1217 CG GLU A1085 82.639 -0.063 6.225 1.00130.39 C ATOM 1218 CD GLU A1085 82.555 -1.076 5.090 1.00162.76 C ATOM 1219 OE1 GLU A1085 81.421 -1.325 4.616 1.00164.88 O ATOM 1220 OE2 GLU A1085 83.604 -1.617 4.668 1.00158.11 O ATOM 1221 H GLU A1085 86.141 1.485 7.652 1.00 0.00 H ATOM 1222 N GLN A1086 83.903 0.722 9.975 1.00109.20 N ATOM 1223 CA GLN A1086 83.265 0.431 11.254 1.00108.08 C ATOM 1224 C GLN A1086 82.887 1.696 12.008 1.00110.08 C ATOM 1225 O GLN A1086 81.811 1.718 12.605 1.00109.63 O ATOM 1226 CB GLN A1086 84.081 -0.526 12.109 1.00108.96 C ATOM 1227 CG GLN A1086 83.323 -0.903 13.386 1.00109.61 C ATOM 1228 CD GLN A1086 82.046 -1.667 13.117 1.00113.62 C ATOM 1229 OE1 GLN A1086 82.064 -2.754 12.525 1.00109.58 O ATOM 1230 NE2 GLN A1086 80.907 -1.084 13.511 1.00 97.33 N ATOM 1231 HE22 GLN A1086 80.935 -0.170 14.006 1.00 0.00 H ATOM 1232 HE21 GLN A1086 79.994 -1.545 13.322 1.00 0.00 H ATOM 1233 H GLN A1086 84.911 0.504 9.845 1.00 0.00 H ATOM 1234 N ALA A1087 83.723 2.765 11.918 1.00104.48 N ATOM 1235 CA ALA A1087 83.427 4.060 12.545 1.00103.11 C ATOM 1236 C ALA A1087 82.216 4.691 11.867 1.00105.32 C ATOM 1237 O ALA A1087 81.368 5.259 12.560 1.00105.06 O ATOM 1238 CB ALA A1087 84.618 4.997 12.473 1.00103.64 C ATOM 1239 H ALA A1087 84.609 2.661 11.383 1.00 0.00 H ATOM 1240 N THR A1088 82.098 4.527 10.526 1.00 99.67 N ATOM 1241 CA THR A1088 80.952 4.994 9.752 1.00 97.93 C ATOM 1242 C THR A1088 79.686 4.280 10.207 1.00101.16 C ATOM 1243 O THR A1088 78.691 4.950 10.464 1.00102.15 O ATOM 1244 CB THR A1088 81.190 4.808 8.262 1.00 99.91 C ATOM 1245 OG1 THR A1088 82.239 5.690 7.847 1.00 97.97 O ATOM 1246 CG2 THR A1088 79.945 5.064 7.440 1.00 96.79 C ATOM 1247 HG1 THR A1088 83.066 5.476 8.348 1.00 0.00 H ATOM 1248 H THR A1088 82.867 4.042 10.021 1.00 0.00 H ATOM 1249 N GLU A1089 79.718 2.938 10.320 1.00 95.76 N ATOM 1250 CA GLU A1089 78.554 2.122 10.711 1.00 94.97 C ATOM 1251 C GLU A1089 78.050 2.450 12.127 1.00 95.90 C ATOM 1252 O GLU A1089 76.848 2.427 12.376 1.00 93.85 O ATOM 1253 CB GLU A1089 78.922 0.642 10.573 1.00 96.84 C ATOM 1254 CG GLU A1089 77.799 -0.352 10.319 1.00112.98 C ATOM 1255 CD GLU A1089 78.305 -1.751 9.983 1.00145.53 C ATOM 1256 OE1 GLU A1089 79.226 -1.872 9.137 1.00142.49 O ATOM 1257 OE2 GLU A1089 77.804 -2.722 10.599 1.00142.68 O ATOM 1258 H GLU A1089 80.614 2.450 10.120 1.00 0.00 H ATOM 1259 N MET A1090 78.974 2.774 13.041 1.00 92.95 N ATOM 1260 CA MET A1090 78.655 3.178 14.405 1.00 93.15 C ATOM 1261 C MET A1090 77.927 4.524 14.387 1.00 98.71 C ATOM 1262 O MET A1090 76.921 4.687 15.090 1.00 98.65 O ATOM 1263 CB MET A1090 79.939 3.293 15.235 1.00 95.27 C ATOM 1264 CG MET A1090 80.560 1.945 15.592 1.00 98.35 C ATOM 1265 SD MET A1090 82.122 2.098 16.515 1.00101.92 S ATOM 1266 CE MET A1090 81.580 2.683 18.073 1.00 98.49 C ATOM 1267 H MET A1090 79.975 2.735 12.762 1.00 0.00 H ATOM 1268 N LEU A1091 78.438 5.488 13.577 1.00 95.06 N ATOM 1269 CA LEU A1091 77.843 6.819 13.389 1.00 93.88 C ATOM 1270 C LEU A1091 76.434 6.686 12.789 1.00 95.91 C ATOM 1271 O LEU A1091 75.507 7.299 13.312 1.00 94.75 O ATOM 1272 CB LEU A1091 78.744 7.706 12.514 1.00 93.50 C ATOM 1273 CG LEU A1091 78.379 9.186 12.371 1.00 97.49 C ATOM 1274 CD1 LEU A1091 78.103 9.837 13.709 1.00 97.61 C ATOM 1275 CD2 LEU A1091 79.487 9.938 11.724 1.00 99.25 C ATOM 1276 H LEU A1091 79.310 5.269 13.054 1.00 0.00 H ATOM 1277 N VAL A1092 76.284 5.840 11.734 1.00 91.79 N ATOM 1278 CA VAL A1092 75.024 5.538 11.058 1.00 91.64 C ATOM 1279 C VAL A1092 73.985 5.030 12.058 1.00 97.11 C ATOM 1280 O VAL A1092 72.898 5.577 12.122 1.00 96.74 O ATOM 1281 CB VAL A1092 75.202 4.527 9.891 1.00 95.67 C ATOM 1282 CG1 VAL A1092 73.850 3.994 9.409 1.00 95.53 C ATOM 1283 CG2 VAL A1092 75.998 5.118 8.725 1.00 95.24 C ATOM 1284 H VAL A1092 77.139 5.368 11.378 1.00 0.00 H ATOM 1285 N HIS A1093 74.302 3.975 12.812 1.00 97.51 N ATOM 1286 CA HIS A1093 73.406 3.364 13.801 1.00 99.70 C ATOM 1287 C HIS A1093 72.944 4.395 14.849 1.00102.66 C ATOM 1288 O HIS A1093 71.764 4.438 15.193 1.00101.12 O ATOM 1289 CB HIS A1093 74.068 2.120 14.454 1.00102.25 C ATOM 1290 CG HIS A1093 73.385 1.647 15.714 1.00107.49 C ATOM 1291 ND1 HIS A1093 72.183 0.937 15.677 1.00110.11 N ATOM 1292 CD2 HIS A1093 73.743 1.828 17.013 1.00110.16 C ATOM 1293 CE1 HIS A1093 71.862 0.707 16.944 1.00109.70 C ATOM 1294 NE2 HIS A1093 72.767 1.222 17.786 1.00110.00 N ATOM 1295 H HIS A1093 75.247 3.558 12.691 1.00 0.00 H ATOM 1296 N ASN A1094 73.874 5.239 15.314 1.00100.11 N ATOM 1297 CA ASN A1094 73.605 6.276 16.293 1.00100.40 C ATOM 1298 C ASN A1094 72.646 7.342 15.734 1.00102.00 C ATOM 1299 O ASN A1094 71.695 7.717 16.423 1.00102.52 O ATOM 1300 CB ASN A1094 74.928 6.867 16.781 1.00108.11 C ATOM 1301 CG ASN A1094 74.763 7.917 17.820 1.00155.09 C ATOM 1302 OD1 ASN A1094 74.473 7.668 18.996 1.00153.05 O ATOM 1303 ND2 ASN A1094 74.837 9.143 17.385 1.00151.66 N ATOM 1304 HD22 ASN A1094 75.083 9.328 16.392 1.00 0.00 H ATOM 1305 HD21 ASN A1094 74.650 9.936 18.031 1.00 0.00 H ATOM 1306 H ASN A1094 74.845 5.146 14.953 1.00 0.00 H ATOM 1307 N ALA A1095 72.878 7.790 14.486 1.00 95.69 N ATOM 1308 CA ALA A1095 72.022 8.754 13.781 1.00 94.11 C ATOM 1309 C ALA A1095 70.598 8.204 13.610 1.00 95.74 C ATOM 1310 O ALA A1095 69.650 8.934 13.870 1.00 95.27 O ATOM 1311 CB ALA A1095 72.614 9.105 12.421 1.00 94.58 C ATOM 1312 H ALA A1095 73.718 7.430 13.989 1.00 0.00 H ATOM 1313 N GLN A1096 70.448 6.916 13.231 1.00 90.72 N ATOM 1314 CA GLN A1096 69.140 6.261 13.089 1.00 90.26 C ATOM 1315 C GLN A1096 68.390 6.248 14.425 1.00 94.39 C ATOM 1316 O GLN A1096 67.198 6.557 14.476 1.00 93.41 O ATOM 1317 CB GLN A1096 69.297 4.817 12.579 1.00 91.57 C ATOM 1318 CG GLN A1096 69.804 4.711 11.149 1.00122.26 C ATOM 1319 CD GLN A1096 70.139 3.297 10.732 1.00153.78 C ATOM 1320 OE1 GLN A1096 70.721 2.510 11.495 1.00152.22 O ATOM 1321 NE2 GLN A1096 69.828 2.969 9.478 1.00150.65 N ATOM 1322 HE22 GLN A1096 69.340 3.655 8.867 1.00 0.00 H ATOM 1323 HE21 GLN A1096 70.073 2.028 9.111 1.00 0.00 H ATOM 1324 H GLN A1096 71.303 6.359 13.029 1.00 0.00 H ATOM 1325 N ASN A1097 69.103 5.896 15.502 1.00 92.31 N ATOM 1326 CA ASN A1097 68.549 5.828 16.845 1.00 92.77 C ATOM 1327 C ASN A1097 68.066 7.186 17.295 1.00 95.88 C ATOM 1328 O ASN A1097 66.959 7.287 17.834 1.00 97.10 O ATOM 1329 CB ASN A1097 69.578 5.235 17.829 1.00 98.18 C ATOM 1330 CG ASN A1097 68.992 4.862 19.181 1.00138.62 C ATOM 1331 OD1 ASN A1097 67.824 4.491 19.283 1.00141.87 O ATOM 1332 ND2 ASN A1097 69.786 4.955 20.253 1.00128.94 N ATOM 1333 HD22 ASN A1097 70.771 5.271 20.145 1.00 0.00 H ATOM 1334 HD21 ASN A1097 69.419 4.711 21.195 1.00 0.00 H ATOM 1335 H ASN A1097 70.107 5.658 15.371 1.00 0.00 H ATOM 1336 N LEU A1098 68.866 8.233 17.029 1.00 89.82 N ATOM 1337 CA LEU A1098 68.523 9.608 17.399 1.00 88.75 C ATOM 1338 C LEU A1098 67.288 10.093 16.655 1.00 92.76 C ATOM 1339 O LEU A1098 66.369 10.614 17.284 1.00 90.12 O ATOM 1340 CB LEU A1098 69.701 10.564 17.161 1.00 88.44 C ATOM 1341 CG LEU A1098 69.520 12.012 17.602 1.00 92.00 C ATOM 1342 CD1 LEU A1098 69.095 12.095 19.032 1.00 91.43 C ATOM 1343 CD2 LEU A1098 70.793 12.803 17.382 1.00 93.81 C ATOM 1344 H LEU A1098 69.767 8.059 16.540 1.00 0.00 H ATOM 1345 N MET A1099 67.260 9.909 15.317 1.00 91.12 N ATOM 1346 CA MET A1099 66.126 10.311 14.487 1.00 90.58 C ATOM 1347 C MET A1099 64.860 9.619 14.956 1.00 97.29 C ATOM 1348 O MET A1099 63.842 10.279 15.144 1.00 97.13 O ATOM 1349 CB MET A1099 66.401 10.078 12.995 1.00 91.95 C ATOM 1350 CG MET A1099 67.524 10.923 12.443 1.00 95.09 C ATOM 1351 SD MET A1099 67.299 12.715 12.451 1.00 99.37 S ATOM 1352 CE MET A1099 67.892 13.147 14.060 1.00 95.91 C ATOM 1353 H MET A1099 68.080 9.463 14.858 1.00 0.00 H ATOM 1354 N GLN A1100 64.946 8.314 15.233 1.00 95.63 N ATOM 1355 CA GLN A1100 63.796 7.565 15.725 1.00 95.91 C ATOM 1356 C GLN A1100 63.301 8.073 17.074 1.00 98.68 C ATOM 1357 O GLN A1100 62.091 8.200 17.282 1.00 97.07 O ATOM 1358 CB GLN A1100 64.074 6.055 15.771 1.00 97.41 C ATOM 1359 CG GLN A1100 62.816 5.233 16.175 1.00117.38 C ATOM 1360 CD GLN A1100 61.647 5.303 15.198 1.00138.65 C ATOM 1361 OE1 GLN A1100 61.760 4.927 14.024 1.00133.11 O ATOM 1362 NE2 GLN A1100 60.501 5.799 15.660 1.00130.82 N ATOM 1363 HE22 GLN A1100 60.430 6.108 16.650 1.00 0.00 H ATOM 1364 HE21 GLN A1100 59.677 5.877 15.031 1.00 0.00 H ATOM 1365 H GLN A1100 65.852 7.823 15.095 1.00 0.00 H ATOM 1366 N SER A1101 64.239 8.393 17.978 1.00 94.80 N ATOM 1367 CA SER A1101 63.902 8.856 19.322 1.00 93.73 C ATOM 1368 C SER A1101 63.181 10.199 19.317 1.00 97.56 C ATOM 1369 O SER A1101 62.191 10.360 20.035 1.00 96.50 O ATOM 1370 CB SER A1101 65.136 8.878 20.215 1.00 93.59 C ATOM 1371 OG SER A1101 65.624 7.558 20.401 1.00 91.28 O ATOM 1372 HG SER A1101 65.864 7.169 19.523 1.00 0.00 H ATOM 1373 H SER A1101 65.241 8.309 17.713 1.00 0.00 H ATOM 1374 N VAL A1102 63.654 11.143 18.469 1.00 93.61 N ATOM 1375 CA VAL A1102 63.071 12.481 18.321 1.00 92.35 C ATOM 1376 C VAL A1102 61.703 12.379 17.657 1.00 95.49 C ATOM 1377 O VAL A1102 60.776 13.034 18.105 1.00 95.20 O ATOM 1378 CB VAL A1102 64.013 13.465 17.598 1.00 95.79 C ATOM 1379 CG1 VAL A1102 63.356 14.833 17.443 1.00 95.37 C ATOM 1380 CG2 VAL A1102 65.338 13.600 18.350 1.00 95.69 C ATOM 1381 H VAL A1102 64.482 10.905 17.887 1.00 0.00 H ATOM 1382 N LYS A1103 61.564 11.520 16.631 1.00 92.36 N ATOM 1383 CA LYS A1103 60.298 11.273 15.936 1.00 92.37 C ATOM 1384 C LYS A1103 59.242 10.778 16.927 1.00102.39 C ATOM 1385 O LYS A1103 58.127 11.318 16.971 1.00101.65 O ATOM 1386 CB LYS A1103 60.503 10.271 14.799 1.00 92.25 C ATOM 1387 CG LYS A1103 59.266 10.014 13.955 1.00 91.85 C ATOM 1388 CD LYS A1103 59.552 8.971 12.899 1.00100.00 C ATOM 1389 CE LYS A1103 58.381 8.747 11.984 1.00110.86 C ATOM 1390 NZ LYS A1103 58.701 7.713 10.970 1.00127.41 N ATOM 1391 HZ1 LYS A1103 59.516 8.024 10.405 1.00 0.00 H ATOM 1392 HZ2 LYS A1103 58.931 6.819 11.449 1.00 0.00 H ATOM 1393 HZ3 LYS A1103 57.879 7.573 10.348 1.00 0.00 H ATOM 1394 H LYS A1103 62.406 11.000 16.312 1.00 0.00 H ATOM 1395 N GLU A1104 59.617 9.778 17.750 1.00104.13 N ATOM 1396 CA GLU A1104 58.751 9.236 18.799 1.00105.49 C ATOM 1397 C GLU A1104 58.434 10.334 19.839 1.00109.97 C ATOM 1398 O GLU A1104 57.300 10.415 20.302 1.00108.37 O ATOM 1399 CB GLU A1104 59.398 8.008 19.462 1.00107.39 C ATOM 1400 CG GLU A1104 59.470 6.744 18.596 1.00123.78 C ATOM 1401 CD GLU A1104 60.076 5.528 19.290 1.00147.36 C ATOM 1402 OE1 GLU A1104 61.048 4.920 18.783 1.00142.46 O ATOM 1403 OE2 GLU A1104 59.567 5.192 20.385 1.00137.49 O ATOM 1404 H GLU A1104 60.567 9.372 17.634 1.00 0.00 H ATOM 1405 N THR A1105 59.420 11.201 20.154 1.00108.77 N ATOM 1406 CA THR A1105 59.241 12.302 21.102 1.00110.83 C ATOM 1407 C THR A1105 58.238 13.331 20.550 1.00122.80 C ATOM 1408 O THR A1105 57.394 13.811 21.309 1.00123.66 O ATOM 1409 CB THR A1105 60.596 12.933 21.490 1.00112.85 C ATOM 1410 OG1 THR A1105 61.428 11.944 22.078 1.00111.87 O ATOM 1411 CG2 THR A1105 60.458 14.081 22.465 1.00107.44 C ATOM 1412 HG1 THR A1105 61.578 11.212 21.428 1.00 0.00 H ATOM 1413 H THR A1105 60.349 11.081 19.702 1.00 0.00 H ATOM 1414 N VAL A1106 58.302 13.628 19.224 1.00122.98 N ATOM 1415 CA VAL A1106 57.373 14.575 18.580 1.00123.60 C ATOM 1416 C VAL A1106 55.927 14.028 18.679 1.00128.37 C ATOM 1417 O VAL A1106 55.029 14.732 19.164 1.00127.79 O ATOM 1418 CB VAL A1106 57.774 14.941 17.118 1.00127.54 C ATOM 1419 CG1 VAL A1106 56.708 15.789 16.437 1.00127.40 C ATOM 1420 CG2 VAL A1106 59.110 15.663 17.069 1.00127.43 C ATOM 1421 H VAL A1106 59.033 13.170 18.643 1.00 0.00 H ATOM 1422 N ARG A1107 55.735 12.769 18.243 1.00125.01 N ATOM 1423 CA ARG A1107 54.454 12.084 18.243 1.00125.46 C ATOM 1424 C ARG A1107 53.812 12.112 19.647 1.00130.77 C ATOM 1425 O ARG A1107 52.693 12.612 19.815 1.00129.90 O ATOM 1426 CB ARG A1107 54.677 10.662 17.725 1.00126.05 C ATOM 1427 CG ARG A1107 53.447 9.784 17.670 1.00139.14 C ATOM 1428 CD ARG A1107 53.733 8.603 16.775 1.00154.65 C ATOM 1429 NE ARG A1107 53.876 8.978 15.364 1.00168.05 N ATOM 1430 CZ ARG A1107 52.990 8.678 14.416 1.00184.38 C ATOM 1431 NH1 ARG A1107 51.892 7.993 14.716 1.00171.58 N ATOM 1432 NH2 ARG A1107 53.205 9.041 13.159 1.00172.12 N ATOM 1433 HE ARG A1107 54.724 9.512 15.086 1.00 0.00 H ATOM 1434 HH12 ARG A1107 51.204 7.762 13.971 1.00 0.00 H ATOM 1435 HH11 ARG A1107 51.721 7.688 15.695 1.00 0.00 H ATOM 1436 HH22 ARG A1107 52.509 8.804 12.423 1.00 0.00 H ATOM 1437 HH21 ARG A1107 54.069 9.563 12.909 1.00 0.00 H ATOM 1438 H ARG A1107 56.561 12.251 17.881 1.00 0.00 H ATOM 1439 N GLU A1108 54.559 11.644 20.653 1.00128.64 N ATOM 1440 CA GLU A1108 54.100 11.582 22.044 1.00128.67 C ATOM 1441 C GLU A1108 53.918 12.930 22.697 1.00131.35 C ATOM 1442 O GLU A1108 53.004 13.071 23.505 1.00130.63 O ATOM 1443 CB GLU A1108 55.021 10.719 22.885 1.00130.48 C ATOM 1444 CG GLU A1108 55.057 9.269 22.443 1.00145.44 C ATOM 1445 CD GLU A1108 55.869 8.369 23.352 1.00180.32 C ATOM 1446 OE1 GLU A1108 56.281 8.831 24.442 1.00185.89 O ATOM 1447 OE2 GLU A1108 56.089 7.194 22.974 1.00178.35 O ATOM 1448 H GLU A1108 55.518 11.305 20.437 1.00 0.00 H ATOM 1449 N ALA A1109 54.782 13.916 22.375 1.00128.29 N ATOM 1450 CA ALA A1109 54.632 15.275 22.917 1.00129.02 C ATOM 1451 C ALA A1109 53.281 15.858 22.465 1.00134.67 C ATOM 1452 O ALA A1109 52.626 16.551 23.245 1.00133.33 O ATOM 1453 CB ALA A1109 55.778 16.183 22.476 1.00129.55 C ATOM 1454 H ALA A1109 55.571 13.710 21.730 1.00 0.00 H ATOM 1455 N GLU A1110 52.855 15.550 21.215 1.00132.22 N ATOM 1456 CA GLU A1110 51.570 16.016 20.705 1.00131.86 C ATOM 1457 C GLU A1110 50.438 15.274 21.421 1.00137.66 C ATOM 1458 O GLU A1110 49.487 15.905 21.899 1.00136.59 O ATOM 1459 CB GLU A1110 51.493 15.879 19.174 1.00132.79 C ATOM 1460 CG GLU A1110 50.313 16.616 18.569 1.00138.46 C ATOM 1461 CD GLU A1110 49.009 15.842 18.535 1.00158.12 C ATOM 1462 OE1 GLU A1110 49.054 14.590 18.590 1.00133.74 O ATOM 1463 OE2 GLU A1110 47.941 16.492 18.452 1.00161.20 O ATOM 1464 H GLU A1110 53.460 14.966 20.604 1.00 0.00 H ATOM 1465 N ALA A1111 50.561 13.938 21.513 1.00136.27 N ATOM 1466 CA ALA A1111 49.600 13.104 22.226 1.00136.93 C ATOM 1467 C ALA A1111 49.423 13.593 23.685 1.00143.41 C ATOM 1468 O ALA A1111 48.291 13.712 24.160 1.00143.51 O ATOM 1469 CB ALA A1111 50.044 11.646 22.195 1.00137.50 C ATOM 1470 H ALA A1111 51.376 13.480 21.057 1.00 0.00 H ATOM 1471 N ALA A1112 50.533 13.922 24.372 1.00140.78 N ATOM 1472 CA ALA A1112 50.480 14.408 25.751 1.00140.63 C ATOM 1473 C ALA A1112 49.834 15.788 25.884 1.00144.35 C ATOM 1474 O ALA A1112 49.199 16.043 26.898 1.00143.18 O ATOM 1475 CB ALA A1112 51.870 14.430 26.363 1.00141.52 C ATOM 1476 H ALA A1112 51.459 13.828 23.907 1.00 0.00 H ATOM 1477 N SER A1113 49.984 16.671 24.873 1.00142.01 N ATOM 1478 CA SER A1113 49.443 18.038 24.905 1.00141.87 C ATOM 1479 C SER A1113 47.939 18.076 24.969 1.00144.86 C ATOM 1480 O SER A1113 47.381 19.040 25.508 1.00142.92 O ATOM 1481 CB SER A1113 49.936 18.856 23.715 1.00146.51 C ATOM 1482 OG SER A1113 51.321 19.148 23.828 1.00158.64 O ATOM 1483 HG SER A1113 51.834 18.302 23.863 1.00 0.00 H ATOM 1484 H SER A1113 50.509 16.368 24.028 1.00 0.00 H ATOM 1485 N ILE A1114 47.282 17.015 24.447 1.00142.45 N ATOM 1486 CA ILE A1114 45.827 16.898 24.456 1.00142.42 C ATOM 1487 C ILE A1114 45.271 17.122 25.870 1.00147.35 C ATOM 1488 O ILE A1114 44.216 17.746 25.999 1.00146.86 O ATOM 1489 CB ILE A1114 45.275 15.593 23.789 1.00145.16 C ATOM 1490 CG1 ILE A1114 45.400 14.358 24.712 1.00144.89 C ATOM 1491 CG2 ILE A1114 45.860 15.326 22.394 1.00146.46 C ATOM 1492 CD1 ILE A1114 44.541 13.133 24.304 1.00148.38 C ATOM 1493 H ILE A1114 47.839 16.248 24.020 1.00 0.00 H ATOM 1494 N LYS A1115 45.999 16.638 26.922 1.00144.87 N ATOM 1495 CA LYS A1115 45.574 16.711 28.333 1.00144.69 C ATOM 1496 C LYS A1115 46.445 17.518 29.296 1.00149.85 C ATOM 1497 O LYS A1115 47.518 17.054 29.678 1.00148.72 O ATOM 1498 CB LYS A1115 45.409 15.300 28.918 1.00146.56 C ATOM 1499 CG LYS A1115 44.260 14.526 28.295 1.00157.60 C ATOM 1500 CD LYS A1115 44.047 13.171 28.949 1.00164.25 C ATOM 1501 CE LYS A1115 42.839 12.371 28.469 1.00170.59 C ATOM 1502 NZ LYS A1115 43.014 11.846 27.094 1.00179.81 N ATOM 1503 HZ1 LYS A1115 43.154 12.639 26.437 1.00 0.00 H ATOM 1504 HZ2 LYS A1115 43.844 11.220 27.066 1.00 0.00 H ATOM 1505 HZ3 LYS A1115 42.166 11.311 26.818 1.00 0.00 H ATOM 1506 H LYS A1115 46.913 16.188 26.713 1.00 0.00 H ATOM 1507 N ILE A1116 45.992 18.699 29.703 1.00149.11 N ATOM 1508 CA ILE A1116 46.748 19.554 30.624 1.00150.27 C ATOM 1509 C ILE A1116 45.961 19.873 31.880 1.00157.80 C ATOM 1510 O ILE A1116 44.759 20.088 31.814 1.00158.46 O ATOM 1511 CB ILE A1116 47.078 20.912 30.002 1.00153.07 C ATOM 1512 CG1 ILE A1116 45.787 21.657 29.653 1.00153.50 C ATOM 1513 CG2 ILE A1116 47.912 20.717 28.746 1.00153.07 C ATOM 1514 CD1 ILE A1116 46.005 23.088 29.234 1.00160.46 C ATOM 1515 H ILE A1116 45.069 19.029 29.356 1.00 0.00 H ATOM 1516 N ARG A1117 46.646 19.879 33.020 1.00155.03 N ATOM 1517 CA ARG A1117 46.011 20.182 34.298 1.00155.01 C ATOM 1518 C ARG A1117 45.483 21.616 34.403 1.00158.07 C ATOM 1519 O ARG A1117 44.379 21.837 34.900 1.00157.50 O ATOM 1520 CB ARG A1117 46.978 19.899 35.451 1.00156.38 C ATOM 1521 CG ARG A1117 46.400 20.179 36.829 1.00165.38 C ATOM 1522 CD ARG A1117 47.412 19.884 37.923 1.00168.49 C ATOM 1523 NE ARG A1117 48.614 20.703 37.792 1.00169.79 N ATOM 1524 CZ ARG A1117 48.770 21.896 38.356 1.00180.26 C ATOM 1525 NH1 ARG A1117 47.798 22.415 39.094 1.00166.29 N ATOM 1526 NH2 ARG A1117 49.898 22.571 38.183 1.00163.60 N ATOM 1527 HE ARG A1117 49.398 20.329 37.221 1.00 0.00 H ATOM 1528 HH12 ARG A1117 47.922 23.349 39.535 1.00 0.00 H ATOM 1529 HH11 ARG A1117 46.912 21.888 39.232 1.00 0.00 H ATOM 1530 HH22 ARG A1117 50.018 23.505 38.625 1.00 0.00 H ATOM 1531 HH21 ARG A1117 50.662 22.167 37.605 1.00 0.00 H ATOM 1532 H ARG A1117 47.663 19.662 33.000 1.00 0.00 H ATOM 1533 N THR A1118 46.269 22.586 33.939 1.00154.23 N ATOM 1534 CA THR A1118 45.851 23.988 34.007 1.00153.90 C ATOM 1535 C THR A1118 46.506 24.920 32.983 1.00156.92 C ATOM 1536 O THR A1118 47.584 24.639 32.459 1.00155.65 O ATOM 1537 CB THR A1118 46.119 24.533 35.422 1.00161.58 C ATOM 1538 OG1 THR A1118 47.520 24.457 35.708 1.00160.25 O ATOM 1539 CG2 THR A1118 45.497 23.625 36.471 1.00160.96 C ATOM 1540 HG1 THR A1118 47.689 24.808 36.618 1.00 0.00 H ATOM 1541 H THR A1118 47.191 22.345 33.523 1.00 0.00 H ATOM 1542 N ASP A1119 45.816 26.017 32.679 1.00154.02 N ATOM 1543 CA ASP A1119 46.270 27.014 31.702 1.00153.66 C ATOM 1544 C ASP A1119 47.402 27.960 32.127 1.00156.36 C ATOM 1545 O ASP A1119 47.570 28.266 33.308 1.00155.89 O ATOM 1546 CB ASP A1119 45.077 27.837 31.202 1.00155.85 C ATOM 1547 CG ASP A1119 44.022 26.982 30.528 1.00168.34 C ATOM 1548 OD1 ASP A1119 44.215 25.751 30.446 1.00175.11 O ATOM 1549 OD2 ASP A1119 42.999 27.542 30.081 1.00168.81 O ATOM 1550 H ASP A1119 44.907 26.176 33.159 1.00 0.00 H ATOM 1551 N ALA A1120 48.163 28.421 31.135 1.00152.20 N ATOM 1552 CA ALA A1120 49.267 29.366 31.328 1.00151.43 C ATOM 1553 C ALA A1120 50.542 28.727 31.874 1.00153.45 C ATOM 1554 O ALA A1120 51.441 29.420 32.350 1.00153.54 O ATOM 1555 CB ALA A1120 48.867 30.445 32.325 1.00152.12 C ATOM 1556 H ALA A1120 47.962 28.092 30.169 1.00 0.00 H ATOM 1557 N GLY A1121 50.610 27.405 31.802 1.00147.36 N ATOM 1558 CA GLY A1121 51.757 26.657 32.279 1.00145.95 C ATOM 1559 C GLY A1121 52.949 26.616 31.337 1.00147.43 C ATOM 1560 O GLY A1121 54.098 26.642 31.777 1.00147.01 O ATOM 1561 H GLY A1121 49.810 26.885 31.388 1.00 0.00 H ATOM 1562 N PHE A1122 52.633 26.459 30.072 1.00142.39 N ATOM 1563 CA PHE A1122 53.593 26.503 29.015 1.00141.39 C ATOM 1564 C PHE A1122 52.761 26.669 27.783 1.00143.81 C ATOM 1565 O PHE A1122 51.656 26.137 27.694 1.00142.87 O ATOM 1566 CB PHE A1122 54.469 25.283 28.930 1.00143.10 C ATOM 1567 CG PHE A1122 55.735 25.549 28.199 1.00144.59 C ATOM 1568 CD1 PHE A1122 56.640 26.454 28.700 1.00147.62 C ATOM 1569 CD2 PHE A1122 56.001 24.935 26.997 1.00146.67 C ATOM 1570 CE1 PHE A1122 57.809 26.725 28.030 1.00148.59 C ATOM 1571 CE2 PHE A1122 57.161 25.203 26.315 1.00149.49 C ATOM 1572 CZ PHE A1122 58.069 26.100 26.832 1.00147.64 C ATOM 1573 H PHE A1122 51.635 26.295 29.828 1.00 0.00 H ATOM 1574 N THR A1123 53.298 27.377 26.817 1.00139.47 N ATOM 1575 CA THR A1123 52.544 27.609 25.625 1.00138.81 C ATOM 1576 C THR A1123 53.022 26.647 24.557 1.00142.02 C ATOM 1577 O THR A1123 54.174 26.667 24.138 1.00141.59 O ATOM 1578 CB THR A1123 52.663 29.090 25.238 1.00142.04 C ATOM 1579 OG1 THR A1123 52.125 29.893 26.297 1.00132.32 O ATOM 1580 CG2 THR A1123 51.882 29.373 23.974 1.00140.93 C ATOM 1581 HG1 THR A1123 52.199 30.850 26.054 1.00 0.00 H ATOM 1582 H THR A1123 54.258 27.764 26.917 1.00 0.00 H ATOM 1583 N LEU A1124 52.110 25.787 24.140 1.00137.26 N ATOM 1584 CA LEU A1124 52.379 24.800 23.116 1.00136.15 C ATOM 1585 C LEU A1124 51.311 24.906 22.044 1.00139.23 C ATOM 1586 O LEU A1124 50.128 24.931 22.354 1.00139.18 O ATOM 1587 CB LEU A1124 52.367 23.405 23.727 1.00135.75 C ATOM 1588 CG LEU A1124 51.045 22.950 24.349 1.00139.36 C ATOM 1589 CD1 LEU A1124 50.057 22.465 23.309 1.00139.13 C ATOM 1590 CD2 LEU A1124 51.286 21.878 25.390 1.00140.80 C ATOM 1591 H LEU A1124 51.161 25.820 24.564 1.00 0.00 H ATOM 1592 N ARG A1125 51.719 24.968 20.785 1.00134.15 N ATOM 1593 CA ARG A1125 50.751 25.064 19.677 1.00133.22 C ATOM 1594 C ARG A1125 50.891 23.931 18.659 1.00134.76 C ATOM 1595 O ARG A1125 51.941 23.798 18.029 1.00135.15 O ATOM 1596 CB ARG A1125 50.836 26.463 19.006 1.00134.17 C ATOM 1597 CG ARG A1125 49.841 26.771 17.866 1.00147.20 C ATOM 1598 CD ARG A1125 48.370 26.813 18.309 1.00160.08 C ATOM 1599 NE ARG A1125 48.051 27.902 19.246 1.00166.46 N ATOM 1600 CZ ARG A1125 46.865 28.075 19.835 1.00171.24 C ATOM 1601 NH1 ARG A1125 46.686 29.063 20.705 1.00156.26 N ATOM 1602 NH2 ARG A1125 45.849 27.261 19.560 1.00145.84 N ATOM 1603 HE ARG A1125 48.803 28.586 19.465 1.00 0.00 H ATOM 1604 HH12 ARG A1125 45.760 29.193 21.161 1.00 0.00 H ATOM 1605 HH11 ARG A1125 47.472 29.706 20.930 1.00 0.00 H ATOM 1606 HH22 ARG A1125 44.929 27.403 20.023 1.00 0.00 H ATOM 1607 HH21 ARG A1125 45.975 26.483 18.882 1.00 0.00 H ATOM 1608 H ARG A1125 52.737 24.949 20.575 1.00 0.00 H ATOM 1609 N TRP A1126 49.816 23.137 18.487 1.00128.57 N ATOM 1610 CA TRP A1126 49.774 21.997 17.562 1.00127.55 C ATOM 1611 C TRP A1126 48.753 22.222 16.454 1.00128.04 C ATOM 1612 O TRP A1126 47.550 21.973 16.629 1.00128.81 O ATOM 1613 CB TRP A1126 49.521 20.695 18.318 1.00126.49 C ATOM 1614 CG TRP A1126 50.586 20.421 19.323 1.00127.85 C ATOM 1615 CD1 TRP A1126 50.599 20.815 20.629 1.00130.81 C ATOM 1616 CD2 TRP A1126 51.847 19.787 19.078 1.00128.02 C ATOM 1617 NE1 TRP A1126 51.776 20.434 21.225 1.00130.74 N ATOM 1618 CE2 TRP A1126 52.552 19.778 20.301 1.00132.44 C ATOM 1619 CE3 TRP A1126 52.448 19.202 17.939 1.00129.42 C ATOM 1620 CZ2 TRP A1126 53.815 19.186 20.431 1.00132.00 C ATOM 1621 CZ3 TRP A1126 53.698 18.620 18.067 1.00130.91 C ATOM 1622 CH2 TRP A1126 54.370 18.620 19.300 1.00131.66 C ATOM 1623 HE1 TRP A1126 52.037 20.613 22.216 1.00 0.00 H ATOM 1624 H TRP A1126 48.963 23.344 19.044 1.00 0.00 H ATOM 1625 N VAL A1127 49.245 22.750 15.325 1.00118.35 N ATOM 1626 CA VAL A1127 48.451 23.111 14.167 1.00114.40 C ATOM 1627 C VAL A1127 49.012 22.349 12.984 1.00110.97 C ATOM 1628 O VAL A1127 50.191 22.499 12.638 1.00111.02 O ATOM 1629 CB VAL A1127 48.454 24.660 13.942 1.00118.20 C ATOM 1630 CG1 VAL A1127 47.746 25.049 12.654 1.00118.56 C ATOM 1631 CG2 VAL A1127 47.852 25.415 15.124 1.00117.78 C ATOM 1632 H VAL A1127 50.271 22.913 15.276 1.00 0.00 H ATOM 1633 N ARG A1128 48.161 21.535 12.357 1.00100.95 N ATOM 1634 CA ARG A1128 48.550 20.787 11.175 1.00 97.39 C ATOM 1635 C ARG A1128 48.802 21.707 9.998 1.00 99.25 C ATOM 1636 O ARG A1128 48.195 22.772 9.882 1.00 97.89 O ATOM 1637 CB ARG A1128 47.488 19.762 10.797 1.00 91.46 C ATOM 1638 CG ARG A1128 47.621 18.455 11.534 1.00 88.07 C ATOM 1639 CD ARG A1128 48.702 17.577 10.969 1.00 83.15 C ATOM 1640 NE ARG A1128 48.392 16.176 11.229 1.00 99.96 N ATOM 1641 CZ ARG A1128 48.551 15.193 10.343 1.00121.08 C ATOM 1642 NH1 ARG A1128 49.089 15.442 9.152 1.00116.21 N ATOM 1643 NH2 ARG A1128 48.212 13.946 10.656 1.00100.71 N ATOM 1644 HE ARG A1128 48.022 15.927 12.169 1.00 0.00 H ATOM 1645 HH12 ARG A1128 49.211 14.671 8.465 1.00 0.00 H ATOM 1646 HH11 ARG A1128 49.388 16.408 8.908 1.00 0.00 H ATOM 1647 HH22 ARG A1128 48.338 13.183 9.961 1.00 0.00 H ATOM 1648 HH21 ARG A1128 47.821 13.734 11.596 1.00 0.00 H ATOM 1649 H ARG A1128 47.193 21.434 12.725 1.00 0.00 H ATOM 1650 N LYS A1129 49.717 21.290 9.123 1.00 95.61 N ATOM 1651 CA LYS A1129 50.028 21.957 7.859 1.00 94.14 C ATOM 1652 C LYS A1129 49.291 21.133 6.815 1.00 98.60 C ATOM 1653 O LYS A1129 49.301 19.882 6.845 1.00 96.70 O ATOM 1654 CB LYS A1129 51.521 21.958 7.524 1.00 94.97 C ATOM 1655 CG LYS A1129 52.416 22.484 8.615 1.00119.41 C ATOM 1656 CD LYS A1129 53.678 23.089 8.036 1.00132.36 C ATOM 1657 CE LYS A1129 53.521 24.562 7.718 1.00148.83 C ATOM 1658 NZ LYS A1129 54.170 25.417 8.758 1.00156.47 N ATOM 1659 HZ1 LYS A1129 53.731 25.230 9.682 1.00 0.00 H ATOM 1660 HZ2 LYS A1129 55.185 25.195 8.803 1.00 0.00 H ATOM 1661 HZ3 LYS A1129 54.044 26.419 8.510 1.00 0.00 H ATOM 1662 H LYS A1129 50.249 20.427 9.356 1.00 0.00 H ATOM 1663 N THR A1130 48.658 21.806 5.860 1.00 96.95 N ATOM 1664 CA THR A1130 47.915 21.104 4.814 1.00 97.53 C ATOM 1665 C THR A1130 48.757 20.688 3.601 1.00101.59 C ATOM 1666 O THR A1130 49.479 21.504 3.024 1.00101.54 O ATOM 1667 CB THR A1130 46.718 21.940 4.321 1.00113.31 C ATOM 1668 OG1 THR A1130 46.011 21.217 3.305 1.00118.05 O ATOM 1669 CG2 THR A1130 47.194 23.268 3.753 1.00112.13 C ATOM 1670 HG1 THR A1130 46.620 21.035 2.546 1.00 0.00 H ATOM 1671 H THR A1130 48.691 22.845 5.856 1.00 0.00 H ATOM 1672 N PRO A1131 48.615 19.437 3.200 1.00 97.56 N ATOM 1673 CA PRO A1131 49.365 18.935 2.054 1.00 98.69 C ATOM 1674 C PRO A1131 48.861 19.705 0.852 1.00108.31 C ATOM 1675 O PRO A1131 47.815 20.352 0.931 1.00108.69 O ATOM 1676 CB PRO A1131 48.930 17.473 1.969 1.00 99.76 C ATOM 1677 CG PRO A1131 48.590 17.108 3.372 1.00103.03 C ATOM 1678 CD PRO A1131 48.008 18.350 3.988 1.00 98.39 C ATOM 1679 N TRP A1132 49.588 19.656 -0.258 1.00107.34 N ATOM 1680 CA TRP A1132 49.191 20.401 -1.445 1.00109.13 C ATOM 1681 C TRP A1132 47.776 19.954 -1.761 1.00114.76 C ATOM 1682 O TRP A1132 46.961 20.725 -2.268 1.00114.68 O ATOM 1683 CB TRP A1132 50.122 20.092 -2.616 1.00109.05 C ATOM 1684 CG TRP A1132 50.119 18.650 -3.020 1.00110.74 C ATOM 1685 CD1 TRP A1132 49.310 18.059 -3.946 1.00113.57 C ATOM 1686 CD2 TRP A1132 50.967 17.613 -2.509 1.00110.81 C ATOM 1687 NE1 TRP A1132 49.601 16.720 -4.045 1.00112.89 N ATOM 1688 CE2 TRP A1132 50.615 16.421 -3.173 1.00114.71 C ATOM 1689 CE3 TRP A1132 51.989 17.577 -1.556 1.00112.37 C ATOM 1690 CZ2 TRP A1132 51.248 15.207 -2.914 1.00114.41 C ATOM 1691 CZ3 TRP A1132 52.617 16.371 -1.301 1.00114.48 C ATOM 1692 CH2 TRP A1132 52.244 15.203 -1.977 1.00115.22 C ATOM 1693 HE1 TRP A1132 49.129 16.044 -4.678 1.00 0.00 H ATOM 1694 H TRP A1132 50.452 19.078 -0.280 1.00 0.00 H ATOM 1695 N TYR A1133 47.494 18.698 -1.443 1.00111.56 N ATOM 1696 CA TYR A1133 46.168 18.164 -1.658 1.00111.72 C ATOM 1697 C TYR A1133 45.399 18.566 -0.434 1.00118.76 C ATOM 1698 O TYR A1133 44.896 17.745 0.310 1.00118.70 O ATOM 1699 CB TYR A1133 46.192 16.659 -1.799 1.00112.18 C ATOM 1700 CG TYR A1133 46.974 15.905 -0.760 1.00113.44 C ATOM 1701 CD1 TYR A1133 46.386 15.508 0.423 1.00114.66 C ATOM 1702 CD2 TYR A1133 48.278 15.522 -0.996 1.00114.89 C ATOM 1703 CE1 TYR A1133 47.083 14.792 1.364 1.00116.04 C ATOM 1704 CE2 TYR A1133 48.985 14.800 -0.064 1.00115.86 C ATOM 1705 CZ TYR A1133 48.377 14.440 1.112 1.00126.34 C ATOM 1706 OH TYR A1133 49.065 13.727 2.052 1.00130.71 O ATOM 1707 HH TYR A1133 48.477 13.556 2.830 1.00 0.00 H ATOM 1708 H TYR A1133 48.234 18.091 -1.035 1.00 0.00 H ATOM 1709 N GLN A1134 45.312 19.880 -0.274 1.00116.09 N ATOM 1710 CA GLN A1134 44.657 20.557 0.840 1.00136.77 C ATOM 1711 C GLN A1134 43.416 19.892 1.423 1.00148.34 C ATOM 1712 O GLN A1134 43.551 18.864 2.157 1.00 94.92 O ATOM 1713 CB GLN A1134 44.338 21.994 0.426 1.00138.12 C ATOM 1714 CG GLN A1134 45.551 22.879 0.205 1.00152.96 C ATOM 1715 CD GLN A1134 45.171 24.267 -0.273 1.00171.65 C ATOM 1716 OE1 GLN A1134 44.112 24.459 -0.868 1.00170.69 O ATOM 1717 NE2 GLN A1134 46.033 25.238 -0.020 1.00155.48 N ATOM 1718 OXT GLN A1134 42.309 20.454 1.163 1.00 30.00 O ATOM 1719 HE22 GLN A1134 46.917 25.030 0.487 1.00 0.00 H ATOM 1720 HE21 GLN A1134 45.827 26.210 -0.328 1.00 0.00 H ATOM 1721 H GLN A1134 45.748 20.478 -1.005 1.00 0.00 H TER 1722 GLN A1134 HETATM 1723 O HOH 1 60.768 26.592 28.924 1.00 83.95 O HETATM 1724 O HOH 2 67.507 4.878 7.827 1.00 77.70 O HETATM 1725 O HOH 3 40.946 25.669 29.208 1.00 82.50 O HETATM 1726 O HOH 4 69.555 1.436 14.288 1.00 92.11 O HETATM 1727 O HOH 5 54.432 5.952 9.966 1.00 76.32 O HETATM 1728 O HOH 6 40.179 9.868 16.570 1.00 80.08 O HETATM 1729 O HOH 7 52.483 22.863 28.752 1.00 79.12 O HETATM 1730 O HOH 8 74.201 -1.198 13.353 1.00 77.50 O HETATM 1731 O HOH 9 71.073 -2.714 14.681 1.00 80.20 O HETATM 1732 O HOH 10 60.608 18.499 34.389 1.00 94.98 O HETATM 1733 O HOH 11 65.290 3.801 9.762 1.00 77.59 O HETATM 1734 O HOH 12 101.684 -5.154 14.229 1.00 87.25 O HETATM 1735 O HOH 13 73.611 -3.200 22.586 1.00 87.68 O HETATM 1736 C1 PIO A 14 46.167 8.257 14.775 1.00 0.15 C HETATM 1737 O1 PIO A 14 45.639 7.585 15.938 1.00 -0.25 O HETATM 1738 P1 PIO A 14 44.068 7.263 16.138 1.00 0.26 P HETATM 1739 O11 PIO A 14 43.163 8.278 15.551 1.00 -0.62 O HETATM 1740 O12 PIO A 14 44.050 5.855 15.536 1.00 -0.62 O HETATM 1741 O13 PIO A 14 43.786 6.916 17.681 1.00 -0.25 O HETATM 1742 C1C PIO A 14 43.462 7.983 18.596 1.00 0.11 C HETATM 1743 C2C PIO A 14 42.502 7.462 19.632 1.00 0.11 C HETATM 1744 O2C PIO A 14 41.144 7.715 19.153 1.00 -0.39 O HETATM 1745 H13 PIO A 14 40.519 7.394 19.792 1.00 0.21 H HETATM 1746 C3C PIO A 14 42.667 8.169 20.950 1.00 0.07 C HETATM 1747 O3C PIO A 14 41.694 7.647 21.881 1.00 -0.39 O HETATM 1748 H16 PIO A 14 40.820 7.797 21.541 1.00 0.21 H HETATM 1749 H14 PIO A 14 42.506 9.249 20.814 1.00 0.06 H HETATM 1750 H15 PIO A 14 43.681 7.995 21.339 1.00 0.06 H HETATM 1751 H12 PIO A 14 42.662 6.383 19.772 1.00 0.06 H HETATM 1752 H10 PIO A 14 42.996 8.813 18.045 1.00 0.06 H HETATM 1753 H11 PIO A 14 44.379 8.339 19.088 1.00 0.06 H HETATM 1754 C2 PIO A 14 46.547 7.248 13.701 1.00 0.12 C HETATM 1755 O2 PIO A 14 47.516 6.335 14.202 1.00 -0.39 O HETATM 1756 H3 PIO A 14 47.744 5.712 13.522 1.00 0.21 H HETATM 1757 C3 PIO A 14 47.096 7.972 12.479 1.00 0.12 C HETATM 1758 O3 PIO A 14 47.482 7.028 11.486 1.00 -0.39 O HETATM 1759 H5 PIO A 14 47.823 7.489 10.728 1.00 0.21 H HETATM 1760 C4 PIO A 14 48.284 8.834 12.878 1.00 0.15 C HETATM 1761 O4 PIO A 14 48.616 9.599 11.700 1.00 -0.27 O HETATM 1762 P4 PIO A 14 49.742 9.364 10.579 1.00 0.20 P HETATM 1763 O41 PIO A 14 49.533 7.896 10.199 1.00 -0.55 O HETATM 1764 O42 PIO A 14 49.180 10.247 9.462 1.00 -0.55 O HETATM 1765 O43 PIO A 14 51.156 9.688 10.933 1.00 -0.55 O HETATM 1766 C5 PIO A 14 47.917 9.804 13.986 1.00 0.15 C HETATM 1767 O5 PIO A 14 49.115 10.497 14.394 1.00 -0.27 O HETATM 1768 P5 PIO A 14 49.301 12.035 14.846 1.00 0.20 P HETATM 1769 O51 PIO A 14 50.810 12.280 14.910 1.00 -0.55 O HETATM 1770 O52 PIO A 14 48.580 12.459 16.083 1.00 -0.55 O HETATM 1771 O53 PIO A 14 48.751 12.683 13.573 1.00 -0.55 O HETATM 1772 C6 PIO A 14 47.374 9.076 15.206 1.00 0.12 C HETATM 1773 O6 PIO A 14 47.003 10.010 16.213 1.00 -0.39 O HETATM 1774 H9 PIO A 14 47.764 10.518 16.468 1.00 0.21 H HETATM 1775 H8 PIO A 14 48.148 8.405 15.607 1.00 0.07 H HETATM 1776 H7 PIO A 14 47.167 10.519 13.616 1.00 0.07 H HETATM 1777 H6 PIO A 14 49.129 8.204 13.194 1.00 0.07 H HETATM 1778 H4 PIO A 14 46.309 8.620 12.066 1.00 0.07 H HETATM 1779 H2 PIO A 14 45.648 6.686 13.408 1.00 0.07 H HETATM 1780 H1 PIO A 14 45.400 8.932 14.368 1.00 0.07 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 1736 1737 1754 1772 1780 CONECT 1737 1736 1738 CONECT 1738 1737 1739 1740 1741 CONECT 1739 1738 CONECT 1740 1738 CONECT 1741 1738 1742 CONECT 1742 1741 1743 1752 1753 CONECT 1743 1742 1744 1746 1751 CONECT 1744 1743 1745 CONECT 1745 1744 CONECT 1746 1743 1747 1749 1750 CONECT 1747 1746 1748 CONECT 1748 1747 CONECT 1749 1746 CONECT 1750 1746 CONECT 1751 1743 CONECT 1752 1742 CONECT 1753 1742 CONECT 1754 1736 1755 1757 1779 CONECT 1755 1754 1756 CONECT 1756 1755 CONECT 1757 1754 1758 1760 1778 CONECT 1758 1757 1759 CONECT 1759 1758 CONECT 1760 1757 1761 1766 1777 CONECT 1761 1760 1762 CONECT 1762 1761 1763 1764 1765 CONECT 1763 1762 CONECT 1764 1762 CONECT 1765 1762 CONECT 1766 1760 1767 1772 1776 CONECT 1767 1766 1768 CONECT 1768 1767 1769 1770 1771 CONECT 1769 1768 CONECT 1770 1768 CONECT 1771 1768 CONECT 1772 1736 1766 1773 1775 CONECT 1773 1772 1774 CONECT 1774 1773 CONECT 1775 1772 CONECT 1776 1766 CONECT 1777 1760 CONECT 1778 1757 CONECT 1779 1754 CONECT 1780 1736 MASTER 0 0 0 0 0 0 0 0 1779 1 49 14 END
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Structure:
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Protein
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Related entries of code: 5l0c
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1rke
RCSB PDB
PDBbind
185aa, >1RKE_2|Chain... at 100%
3h2u
RCSB PDB
PDBbind
188aa, >3H2U_1|Chains... *
3h2v
RCSB PDB
PDBbind
188aa, >3H2V_1|Chains... at 100%
5l0h
RCSB PDB
PDBbind
176aa, >5L0H_1|Chain... at 93%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
5l0h
RCSB PDB
PDBbind
PIO
Entry Information
PDB ID
5l0c
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Human metavinculin (residues 959-1134), MVt
Ligand Name
PIO
EC.Number
E.C.-.-.-.-
Resolution
3.1(Å)
Affinity (Kd/Ki/IC50)
Kd=0.7uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Proc.Natl.Acad.Sci.USA Vol. 113: pp. 9539-9544
Ligand Properties
Formula
C
9
H
2
4
O
1
7
P
3
Molecular Weight
497.198
Exact Mass
497.023
No. of atoms
53
No. of bonds
53
Polar Surface Area
340.68
LOGP Value
-8.17 (
Computed with XLOGP3
)
-5.42 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 13
No. of Rotatable Bonds: 13
No. of Nitrogen and Oxygen Atoms: 17
No. of Rings: 1
Canonical SMILES
OC[C@H](COP(O[C@@H]1[C@H](O)[C@H](O)[C@H]([C@@H]([C@H]1O)OP(O)(O)O)OP(O)(O)O)(O)O)O
InChI String
InChI=1S/C9H27O17P3/c10-1-3(11)2-23-29(21,22)26-7-4(12)5(13)8(24-27(15,16)17)9(6(7)14)25-28(18,19)20/h3-22,27-29H,1-2H2/t3-,4-,5+,6+,7-,8-,9-/m1/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):
P18206
Entrez Gene ID
NCBI Entrez Gene ID:
7414
ASD
Information of known allosteric effects of PDB entries
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