Browse entries in the PDBbind-CN Database
HEADER 5N2F_COMPLEX COMPND 5N2F_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 126 ALA PHE THR VAL THR VAL PRO LYS ASP LEU TYR VAL VAL SEQRES 2 A 126 GLU TYR GLY SER ASN MET THR ILE GLU CYS LYS PHE PRO SEQRES 3 A 126 VAL GLU LYS GLN LEU ASP LEU ALA ALA LEU ILE VAL TYR SEQRES 4 A 126 TRP GLU MET GLU ASP LYS ASN ILE ILE GLN PHE VAL HIS SEQRES 5 A 126 GLY GLU GLU ASP LEU LYS VAL GLN HIS SER SER TYR ARG SEQRES 6 A 126 GLN ARG ALA ARG LEU LEU LYS ASP GLN LEU SER LEU GLY SEQRES 7 A 126 ASN ALA ALA LEU GLN ILE THR ASP VAL LYS LEU GLN ASP SEQRES 8 A 126 ALA GLY VAL TYR ARG CYS MET ILE SER TYR GLY GLY ALA SEQRES 9 A 126 ASP TYR LYS ARG ILE THR VAL LYS VAL ASN ALA PRO TYR SEQRES 10 A 126 ALA ALA ALA LEU GLU HIS HIS HIS HIS SEQRES 1 B 124 ALA PHE THR VAL THR VAL PRO LYS ASP LEU TYR VAL VAL SEQRES 2 B 124 GLU TYR GLY SER ASN MET THR ILE GLU CYS LYS PHE PRO SEQRES 3 B 124 VAL GLU LYS GLN LEU ASP LEU ALA ALA LEU ILE VAL TYR SEQRES 4 B 124 TRP GLU MET GLU ASP LYS ASN ILE ILE GLN PHE VAL HIS SEQRES 5 B 124 GLY GLU GLU ASP LEU LYS VAL GLN HIS SER SER TYR ARG SEQRES 6 B 124 GLN ARG ALA ARG LEU LEU LYS ASP GLN LEU SER LEU GLY SEQRES 7 B 124 ASN ALA ALA LEU GLN ILE THR ASP VAL LYS LEU GLN ASP SEQRES 8 B 124 ALA GLY VAL TYR ARG CYS MET ILE SER TYR GLY GLY ALA SEQRES 9 B 124 ASP TYR LYS ARG ILE THR VAL LYS VAL ASN ALA PRO TYR SEQRES 10 B 124 ALA ALA ALA LEU GLU HIS HIS HET UNN A 522 61 SSBOND 1 CYS A 40 CYS A 114 SSBOND 2 CYS B 40 CYS B 114 ATOM 1 N ALA A 18 28.935 10.069 145.965 1.00 50.61 N ATOM 2 CA ALA A 18 29.473 9.949 144.613 1.00 50.87 C ATOM 3 C ALA A 18 28.442 10.372 143.564 1.00 45.10 C ATOM 4 O ALA A 18 27.341 9.827 143.503 1.00 41.77 O ATOM 5 CB ALA A 18 29.938 8.525 144.356 1.00 50.30 C ATOM 6 HN3 ALA A 18 28.098 9.459 146.059 1.00 0.00 H ATOM 7 HN2 ALA A 18 28.667 11.058 146.144 1.00 0.00 H ATOM 8 HN1 ALA A 18 29.658 9.775 146.652 1.00 0.00 H ATOM 9 N PHE A 19 28.814 11.338 142.728 1.00 39.64 N ATOM 10 CA PHE A 19 27.891 11.857 141.726 1.00 34.07 C ATOM 11 C PHE A 19 27.674 10.831 140.624 1.00 32.20 C ATOM 12 O PHE A 19 28.638 10.335 140.033 1.00 35.53 O ATOM 13 CB PHE A 19 28.444 13.156 141.147 1.00 31.04 C ATOM 14 CG PHE A 19 27.536 13.808 140.153 1.00 26.21 C ATOM 15 CD1 PHE A 19 26.449 14.549 140.574 1.00 28.52 C ATOM 16 CD2 PHE A 19 27.777 13.689 138.798 1.00 24.93 C ATOM 17 CE1 PHE A 19 25.604 15.157 139.655 1.00 28.17 C ATOM 18 CE2 PHE A 19 26.940 14.293 137.879 1.00 27.62 C ATOM 19 CZ PHE A 19 25.852 15.035 138.312 1.00 26.77 C ATOM 20 H PHE A 19 29.776 11.728 142.790 1.00 0.00 H ATOM 21 N THR A 20 26.403 10.531 140.321 1.00 25.83 N ATOM 22 CA THR A 20 26.068 9.501 139.352 1.00 23.12 C ATOM 23 C THR A 20 24.960 10.007 138.439 1.00 30.49 C ATOM 24 O THR A 20 23.942 10.517 138.922 1.00 31.31 O ATOM 25 CB THR A 20 25.605 8.215 140.059 1.00 31.30 C ATOM 26 OG1 THR A 20 26.659 7.729 140.899 1.00 42.02 O ATOM 27 CG2 THR A 20 25.256 7.136 139.049 1.00 34.62 C ATOM 28 HG1 THR A 20 27.457 7.534 140.346 1.00 0.00 H ATOM 29 H THR A 20 25.635 11.050 140.793 1.00 0.00 H ATOM 30 N VAL A 21 25.152 9.851 137.121 1.00 25.89 N ATOM 31 CA VAL A 21 24.085 10.032 136.142 1.00 24.33 C ATOM 32 C VAL A 21 23.458 8.674 135.851 1.00 26.84 C ATOM 33 O VAL A 21 24.162 7.673 135.732 1.00 26.91 O ATOM 34 CB VAL A 21 24.636 10.685 134.859 1.00 20.68 C ATOM 35 CG1 VAL A 21 23.543 10.747 133.768 1.00 22.66 C ATOM 36 CG2 VAL A 21 25.195 12.076 135.187 1.00 23.65 C ATOM 37 H VAL A 21 26.100 9.590 136.783 1.00 0.00 H ATOM 38 N THR A 22 22.131 8.622 135.763 1.00 25.41 N ATOM 39 CA THR A 22 21.438 7.375 135.463 1.00 27.24 C ATOM 40 C THR A 22 20.518 7.578 134.273 1.00 24.85 C ATOM 41 O THR A 22 20.021 8.681 134.031 1.00 28.15 O ATOM 42 CB THR A 22 20.633 6.853 136.676 1.00 31.81 C ATOM 43 OG1 THR A 22 19.620 7.795 137.022 1.00 36.02 O ATOM 44 CG2 THR A 22 21.537 6.665 137.872 1.00 29.40 C ATOM 45 HG1 THR A 22 19.010 7.920 136.252 1.00 0.00 H ATOM 46 H THR A 22 21.577 9.489 135.911 1.00 0.00 H ATOM 47 N VAL A 23 20.321 6.511 133.508 1.00 27.36 N ATOM 48 CA VAL A 23 19.371 6.515 132.407 1.00 26.62 C ATOM 49 C VAL A 23 18.294 5.484 132.726 1.00 30.21 C ATOM 50 O VAL A 23 18.605 4.309 132.936 1.00 33.16 O ATOM 51 CB VAL A 23 20.034 6.225 131.049 1.00 29.06 C ATOM 52 CG1 VAL A 23 20.826 7.428 130.619 1.00 35.30 C ATOM 53 CG2 VAL A 23 20.964 5.015 131.121 1.00 35.78 C ATOM 54 H VAL A 23 20.863 5.645 133.702 1.00 0.00 H ATOM 55 N PRO A 24 17.024 5.881 132.810 1.00 30.68 N ATOM 56 CA PRO A 24 15.967 4.871 132.982 1.00 29.94 C ATOM 57 C PRO A 24 15.893 3.913 131.812 1.00 31.61 C ATOM 58 O PRO A 24 15.600 2.726 131.996 1.00 37.40 O ATOM 59 CB PRO A 24 14.692 5.718 133.116 1.00 38.90 C ATOM 60 CG PRO A 24 15.018 7.019 132.458 1.00 40.76 C ATOM 61 CD PRO A 24 16.488 7.249 132.715 1.00 36.77 C ATOM 62 N LYS A 25 16.165 4.399 130.605 1.00 26.04 N ATOM 63 CA LYS A 25 16.172 3.583 129.399 1.00 24.74 C ATOM 64 C LYS A 25 17.482 3.840 128.678 1.00 24.32 C ATOM 65 O LYS A 25 17.831 4.997 128.418 1.00 29.17 O ATOM 66 CB LYS A 25 15.007 3.927 128.449 1.00 30.56 C ATOM 67 CG LYS A 25 13.754 3.101 128.636 1.00 38.44 C ATOM 68 CD LYS A 25 12.539 3.773 127.981 1.00 41.42 C ATOM 69 CE LYS A 25 12.728 4.070 126.496 1.00 40.25 C ATOM 70 NZ LYS A 25 12.514 2.923 125.561 1.00 29.52 N ATOM 71 HZ1 LYS A 25 13.184 2.161 125.790 1.00 0.00 H ATOM 72 HZ2 LYS A 25 11.540 2.572 125.662 1.00 0.00 H ATOM 73 HZ3 LYS A 25 12.669 3.241 124.583 1.00 0.00 H ATOM 74 H LYS A 25 16.384 5.412 130.518 1.00 0.00 H ATOM 75 N ASP A 26 18.205 2.779 128.346 1.00 23.34 N ATOM 76 CA ASP A 26 19.403 2.954 127.540 1.00 28.28 C ATOM 77 C ASP A 26 19.176 2.570 126.089 1.00 23.84 C ATOM 78 O ASP A 26 20.132 2.538 125.308 1.00 26.75 O ATOM 79 CB ASP A 26 20.580 2.173 128.133 1.00 33.30 C ATOM 80 CG ASP A 26 20.363 0.672 128.149 1.00 42.19 C ATOM 81 OD1 ASP A 26 19.323 0.181 127.673 1.00 43.17 O ATOM 82 OD2 ASP A 26 21.261 -0.032 128.649 1.00 50.95 O ATOM 83 H ASP A 26 17.918 1.830 128.659 1.00 0.00 H ATOM 84 N LEU A 27 17.933 2.275 125.716 1.00 21.84 N ATOM 85 CA LEU A 27 17.583 1.943 124.344 1.00 22.35 C ATOM 86 C LEU A 27 16.254 2.594 124.020 1.00 23.14 C ATOM 87 O LEU A 27 15.288 2.422 124.770 1.00 23.41 O ATOM 88 CB LEU A 27 17.465 0.431 124.145 1.00 24.08 C ATOM 89 CG LEU A 27 17.014 0.013 122.749 1.00 24.63 C ATOM 90 CD1 LEU A 27 18.091 0.317 121.693 1.00 23.03 C ATOM 91 CD2 LEU A 27 16.633 -1.457 122.764 1.00 27.62 C ATOM 92 H LEU A 27 17.181 2.282 126.435 1.00 0.00 H ATOM 93 N TYR A 28 16.203 3.331 122.913 1.00 20.76 N ATOM 94 CA TYR A 28 14.944 3.828 122.372 1.00 20.77 C ATOM 95 C TYR A 28 14.779 3.327 120.948 1.00 21.89 C ATOM 96 O TYR A 28 15.747 3.287 120.175 1.00 22.81 O ATOM 97 CB TYR A 28 14.880 5.362 122.389 1.00 21.24 C ATOM 98 CG TYR A 28 14.832 5.983 123.767 1.00 20.82 C ATOM 99 CD1 TYR A 28 13.688 6.593 124.228 1.00 21.50 C ATOM 100 CD2 TYR A 28 15.952 5.971 124.604 1.00 21.23 C ATOM 101 CE1 TYR A 28 13.643 7.170 125.498 1.00 22.59 C ATOM 102 CE2 TYR A 28 15.909 6.534 125.877 1.00 21.35 C ATOM 103 CZ TYR A 28 14.753 7.130 126.315 1.00 24.90 C ATOM 104 OH TYR A 28 14.708 7.701 127.579 1.00 25.14 O ATOM 105 HH TYR A 28 13.808 8.084 127.735 1.00 0.00 H ATOM 106 H TYR A 28 17.089 3.559 122.419 1.00 0.00 H ATOM 107 N VAL A 29 13.554 2.939 120.607 1.00 19.12 N ATOM 108 CA VAL A 29 13.210 2.521 119.253 1.00 20.25 C ATOM 109 C VAL A 29 12.105 3.459 118.801 1.00 24.74 C ATOM 110 O VAL A 29 10.995 3.444 119.359 1.00 23.97 O ATOM 111 CB VAL A 29 12.773 1.053 119.188 1.00 21.75 C ATOM 112 CG1 VAL A 29 12.357 0.688 117.746 1.00 24.48 C ATOM 113 CG2 VAL A 29 13.874 0.138 119.689 1.00 22.84 C ATOM 114 H VAL A 29 12.811 2.933 121.335 1.00 0.00 H ATOM 115 N VAL A 30 12.415 4.320 117.839 1.00 18.82 N ATOM 116 CA VAL A 30 11.494 5.384 117.462 1.00 19.34 C ATOM 117 C VAL A 30 11.197 5.302 115.973 1.00 26.40 C ATOM 118 O VAL A 30 11.994 4.788 115.179 1.00 21.97 O ATOM 119 CB VAL A 30 12.051 6.768 117.844 1.00 33.25 C ATOM 120 CG1 VAL A 30 12.384 6.783 119.330 1.00 33.01 C ATOM 121 CG2 VAL A 30 13.284 7.068 117.047 1.00 27.98 C ATOM 122 H VAL A 30 13.328 4.234 117.348 1.00 0.00 H ATOM 123 N GLU A 31 10.017 5.798 115.608 1.00 21.43 N ATOM 124 CA GLU A 31 9.583 5.825 114.219 1.00 18.40 C ATOM 125 C GLU A 31 10.059 7.094 113.522 1.00 20.82 C ATOM 126 O GLU A 31 9.957 8.198 114.063 1.00 23.42 O ATOM 127 CB GLU A 31 8.061 5.728 114.148 1.00 18.94 C ATOM 128 CG GLU A 31 7.509 4.515 114.882 1.00 22.48 C ATOM 129 CD GLU A 31 8.128 3.212 114.413 1.00 23.73 C ATOM 130 OE1 GLU A 31 8.176 2.986 113.198 1.00 26.42 O ATOM 131 OE2 GLU A 31 8.571 2.415 115.263 1.00 25.80 O ATOM 132 H GLU A 31 9.384 6.179 116.340 1.00 0.00 H ATOM 133 N TYR A 32 10.555 6.931 112.297 1.00 20.68 N ATOM 134 CA TYR A 32 10.893 8.077 111.464 1.00 21.42 C ATOM 135 C TYR A 32 9.734 9.075 111.432 1.00 27.79 C ATOM 136 O TYR A 32 8.567 8.687 111.307 1.00 24.21 O ATOM 137 CB TYR A 32 11.232 7.571 110.057 1.00 22.74 C ATOM 138 CG TYR A 32 11.487 8.635 109.021 1.00 24.91 C ATOM 139 CD1 TYR A 32 10.458 9.096 108.212 1.00 24.53 C ATOM 140 CD2 TYR A 32 12.765 9.165 108.838 1.00 28.79 C ATOM 141 CE1 TYR A 32 10.680 10.051 107.267 1.00 28.07 C ATOM 142 CE2 TYR A 32 12.999 10.130 107.885 1.00 28.56 C ATOM 143 CZ TYR A 32 11.952 10.572 107.101 1.00 32.08 C ATOM 144 OH TYR A 32 12.178 11.535 106.145 1.00 33.37 O ATOM 145 HH TYR A 32 11.330 11.738 105.675 1.00 0.00 H ATOM 146 H TYR A 32 10.703 5.970 111.929 1.00 0.00 H ATOM 147 N GLY A 33 10.055 10.364 111.594 1.00 21.42 N ATOM 148 CA GLY A 33 9.065 11.421 111.559 1.00 22.81 C ATOM 149 C GLY A 33 8.402 11.729 112.889 1.00 24.15 C ATOM 150 O GLY A 33 7.637 12.702 112.972 1.00 28.31 O ATOM 151 H GLY A 33 11.052 10.616 111.751 1.00 0.00 H ATOM 152 N SER A 34 8.669 10.939 113.928 1.00 23.94 N ATOM 153 CA SER A 34 8.078 11.157 115.236 1.00 27.70 C ATOM 154 C SER A 34 8.945 12.107 116.053 1.00 27.53 C ATOM 155 O SER A 34 9.990 12.584 115.606 1.00 26.44 O ATOM 156 CB SER A 34 7.900 9.831 115.971 1.00 28.34 C ATOM 157 OG SER A 34 9.168 9.342 116.399 1.00 36.95 O ATOM 158 HG SER A 34 9.750 9.204 115.610 1.00 0.00 H ATOM 159 H SER A 34 9.322 10.140 113.798 1.00 0.00 H ATOM 160 N ASN A 35 8.514 12.373 117.281 1.00 24.09 N ATOM 161 CA ASN A 35 9.305 13.128 118.240 1.00 27.58 C ATOM 162 C ASN A 35 9.787 12.168 119.306 1.00 31.97 C ATOM 163 O ASN A 35 9.070 11.234 119.674 1.00 28.95 O ATOM 164 CB ASN A 35 8.504 14.254 118.898 1.00 30.90 C ATOM 165 CG ASN A 35 7.955 15.244 117.891 1.00 25.85 C ATOM 166 OD1 ASN A 35 8.486 15.387 116.784 1.00 27.36 O ATOM 167 ND2 ASN A 35 6.895 15.943 118.271 1.00 38.15 N ATOM 168 HD22 ASN A 35 6.481 15.789 119.213 1.00 0.00 H ATOM 169 HD21 ASN A 35 6.477 16.645 117.628 1.00 0.00 H ATOM 170 H ASN A 35 7.576 12.028 117.568 1.00 0.00 H ATOM 171 N MET A 36 11.003 12.396 119.799 1.00 25.46 N ATOM 172 CA MET A 36 11.595 11.513 120.790 1.00 24.67 C ATOM 173 C MET A 36 12.170 12.349 121.925 1.00 27.19 C ATOM 174 O MET A 36 12.774 13.400 121.686 1.00 30.52 O ATOM 175 CB MET A 36 12.675 10.622 120.149 1.00 25.71 C ATOM 176 CG MET A 36 14.013 11.269 119.959 1.00 39.14 C ATOM 177 SD MET A 36 15.253 10.047 119.466 1.00 39.13 S ATOM 178 CE MET A 36 14.885 8.722 120.573 1.00 28.53 C ATOM 179 H MET A 36 11.540 13.223 119.468 1.00 0.00 H ATOM 180 N THR A 37 11.938 11.913 123.155 1.00 24.42 N ATOM 181 CA THR A 37 12.549 12.536 124.323 1.00 22.32 C ATOM 182 C THR A 37 13.372 11.477 125.028 1.00 25.47 C ATOM 183 O THR A 37 12.828 10.451 125.454 1.00 26.66 O ATOM 184 CB THR A 37 11.504 13.124 125.268 1.00 25.55 C ATOM 185 OG1 THR A 37 10.727 14.105 124.563 1.00 29.59 O ATOM 186 CG2 THR A 37 12.200 13.774 126.478 1.00 24.77 C ATOM 187 HG1 THR A 37 10.048 14.488 125.174 1.00 0.00 H ATOM 188 H THR A 37 11.301 11.102 123.291 1.00 0.00 H ATOM 189 N ILE A 38 14.683 11.716 125.137 1.00 21.58 N ATOM 190 CA ILE A 38 15.574 10.794 125.819 1.00 21.03 C ATOM 191 C ILE A 38 16.072 11.469 127.089 1.00 20.35 C ATOM 192 O ILE A 38 16.246 12.690 127.150 1.00 26.35 O ATOM 193 CB ILE A 38 16.741 10.327 124.924 1.00 25.83 C ATOM 194 CG1 ILE A 38 17.671 11.476 124.542 1.00 32.57 C ATOM 195 CG2 ILE A 38 16.188 9.725 123.637 1.00 26.63 C ATOM 196 CD1 ILE A 38 18.808 10.999 123.606 1.00 32.51 C ATOM 197 H ILE A 38 15.075 12.585 124.722 1.00 0.00 H ATOM 198 N GLU A 39 16.270 10.670 128.116 1.00 28.83 N ATOM 199 CA GLU A 39 16.422 11.229 129.448 1.00 29.07 C ATOM 200 C GLU A 39 17.644 10.688 130.162 1.00 24.77 C ATOM 201 O GLU A 39 17.936 9.494 130.090 1.00 24.35 O ATOM 202 CB GLU A 39 15.208 10.923 130.270 1.00 22.95 C ATOM 203 CG GLU A 39 13.941 11.431 129.658 1.00 34.76 C ATOM 204 CD GLU A 39 12.761 11.162 130.546 1.00 38.74 C ATOM 205 OE1 GLU A 39 12.553 9.978 130.890 1.00 44.10 O ATOM 206 OE2 GLU A 39 12.069 12.133 130.916 1.00 36.73 O ATOM 207 H GLU A 39 16.318 9.641 127.974 1.00 0.00 H ATOM 208 N CYS A 40 18.381 11.603 130.812 1.00 32.29 N ATOM 209 CA CYS A 40 19.383 11.296 131.827 1.00 28.29 C ATOM 210 C CYS A 40 18.940 11.953 133.125 1.00 22.67 C ATOM 211 O CYS A 40 18.443 13.082 133.115 1.00 28.93 O ATOM 212 CB CYS A 40 20.805 11.792 131.427 1.00 19.67 C ATOM 213 SG CYS A 40 21.474 10.705 130.126 1.00 28.03 S ATOM 214 H CYS A 40 18.226 12.604 130.575 1.00 0.00 H ATOM 215 N LYS A 41 19.077 11.240 134.238 1.00 23.09 N ATOM 216 CA LYS A 41 18.748 11.806 135.530 1.00 22.50 C ATOM 217 C LYS A 41 20.037 12.074 136.286 1.00 26.45 C ATOM 218 O LYS A 41 21.017 11.343 136.122 1.00 25.48 O ATOM 219 CB LYS A 41 17.863 10.858 136.330 1.00 29.52 C ATOM 220 CG LYS A 41 16.667 10.363 135.561 1.00 40.19 C ATOM 221 CD LYS A 41 15.434 11.152 135.916 1.00 52.38 C ATOM 222 CE LYS A 41 14.309 10.845 134.944 1.00 51.72 C ATOM 223 NZ LYS A 41 13.543 9.668 135.453 1.00 55.79 N ATOM 224 HZ1 LYS A 41 14.179 8.848 135.528 1.00 0.00 H ATOM 225 HZ2 LYS A 41 13.150 9.891 136.390 1.00 0.00 H ATOM 226 HZ3 LYS A 41 12.769 9.448 134.794 1.00 0.00 H ATOM 227 H LYS A 41 19.425 10.262 134.181 1.00 0.00 H ATOM 228 N PHE A 42 20.038 13.135 137.086 1.00 24.22 N ATOM 229 CA PHE A 42 21.162 13.441 137.963 1.00 23.65 C ATOM 230 C PHE A 42 20.605 13.952 139.282 1.00 26.50 C ATOM 231 O PHE A 42 19.497 14.502 139.320 1.00 25.96 O ATOM 232 CB PHE A 42 22.103 14.484 137.334 1.00 25.64 C ATOM 233 CG PHE A 42 21.448 15.810 137.061 1.00 26.82 C ATOM 234 CD1 PHE A 42 21.630 16.883 137.926 1.00 26.63 C ATOM 235 CD2 PHE A 42 20.647 15.981 135.942 1.00 28.04 C ATOM 236 CE1 PHE A 42 21.028 18.112 137.672 1.00 24.04 C ATOM 237 CE2 PHE A 42 20.030 17.197 135.687 1.00 29.51 C ATOM 238 CZ PHE A 42 20.220 18.266 136.548 1.00 29.69 C ATOM 239 H PHE A 42 19.212 13.767 137.087 1.00 0.00 H ATOM 240 N PRO A 43 21.344 13.782 140.381 1.00 29.82 N ATOM 241 CA PRO A 43 20.786 14.091 141.704 1.00 30.65 C ATOM 242 C PRO A 43 20.747 15.590 141.973 1.00 25.36 C ATOM 243 O PRO A 43 21.746 16.296 141.821 1.00 28.38 O ATOM 244 CB PRO A 43 21.738 13.370 142.666 1.00 30.22 C ATOM 245 CG PRO A 43 23.025 13.302 141.923 1.00 30.64 C ATOM 246 CD PRO A 43 22.662 13.132 140.475 1.00 27.18 C ATOM 247 N VAL A 44 19.573 16.071 142.366 1.00 29.98 N ATOM 248 CA VAL A 44 19.370 17.450 142.790 1.00 35.43 C ATOM 249 C VAL A 44 18.770 17.400 144.186 1.00 46.29 C ATOM 250 O VAL A 44 17.665 16.876 144.368 1.00 60.40 O ATOM 251 CB VAL A 44 18.442 18.229 141.845 1.00 32.56 C ATOM 252 CG1 VAL A 44 18.154 19.609 142.412 1.00 36.96 C ATOM 253 CG2 VAL A 44 19.041 18.342 140.467 1.00 30.05 C ATOM 254 H VAL A 44 18.755 15.429 142.371 1.00 0.00 H ATOM 255 N GLU A 45 19.487 17.940 145.164 1.00 47.29 N ATOM 256 CA GLU A 45 19.030 17.910 146.551 1.00 52.04 C ATOM 257 C GLU A 45 18.137 19.122 146.793 1.00 53.02 C ATOM 258 O GLU A 45 18.600 20.197 147.177 1.00 56.89 O ATOM 259 CB GLU A 45 20.216 17.872 147.505 1.00 55.66 C ATOM 260 H GLU A 45 20.395 18.395 144.938 1.00 0.00 H ATOM 261 N LYS A 46 16.841 18.945 146.520 1.00 55.61 N ATOM 262 CA LYS A 46 15.774 19.886 146.858 1.00 55.86 C ATOM 263 C LYS A 46 15.798 21.180 146.046 1.00 51.61 C ATOM 264 O LYS A 46 14.738 21.709 145.696 1.00 41.21 O ATOM 265 CB LYS A 46 15.808 20.214 148.355 1.00 56.86 C ATOM 266 H LYS A 46 16.570 18.069 146.029 1.00 0.00 H ATOM 267 N GLN A 47 16.981 21.706 145.732 1.00 45.96 N ATOM 268 CA GLN A 47 17.072 23.008 145.084 1.00 35.13 C ATOM 269 C GLN A 47 18.197 23.021 144.058 1.00 31.74 C ATOM 270 O GLN A 47 19.351 22.746 144.394 1.00 35.99 O ATOM 271 CB GLN A 47 17.295 24.098 146.125 1.00 36.19 C ATOM 272 CG GLN A 47 17.269 25.490 145.581 1.00 33.94 C ATOM 273 CD GLN A 47 17.206 26.514 146.689 1.00 32.06 C ATOM 274 OE1 GLN A 47 16.207 26.608 147.394 1.00 35.91 O ATOM 275 NE2 GLN A 47 18.275 27.278 146.859 1.00 36.62 N ATOM 276 HE22 GLN A 47 19.100 27.163 146.237 1.00 0.00 H ATOM 277 HE21 GLN A 47 18.289 27.992 147.615 1.00 0.00 H ATOM 278 H GLN A 47 17.851 21.180 145.952 1.00 0.00 H ATOM 279 N LEU A 48 17.864 23.374 142.821 1.00 26.98 N ATOM 280 CA LEU A 48 18.842 23.350 141.743 1.00 28.55 C ATOM 281 C LEU A 48 19.704 24.607 141.778 1.00 30.32 C ATOM 282 O LEU A 48 19.186 25.729 141.787 1.00 36.71 O ATOM 283 CB LEU A 48 18.134 23.235 140.397 1.00 29.36 C ATOM 284 CG LEU A 48 19.053 23.240 139.187 1.00 30.72 C ATOM 285 CD1 LEU A 48 19.907 21.984 139.187 1.00 31.57 C ATOM 286 CD2 LEU A 48 18.207 23.330 137.926 1.00 31.89 C ATOM 287 H LEU A 48 16.888 23.672 142.620 1.00 0.00 H ATOM 288 N ASP A 49 21.019 24.419 141.794 1.00 31.38 N ATOM 289 CA ASP A 49 21.958 25.536 141.712 1.00 32.27 C ATOM 290 C ASP A 49 22.315 25.720 140.244 1.00 32.44 C ATOM 291 O ASP A 49 23.181 25.023 139.712 1.00 31.90 O ATOM 292 CB ASP A 49 23.189 25.269 142.566 1.00 42.89 C ATOM 293 CG ASP A 49 24.241 26.355 142.434 1.00 52.12 C ATOM 294 OD1 ASP A 49 23.925 27.442 141.897 1.00 52.24 O ATOM 295 OD2 ASP A 49 25.379 26.119 142.889 1.00 54.11 O ATOM 296 H ASP A 49 21.391 23.450 141.867 1.00 0.00 H ATOM 297 N LEU A 50 21.648 26.667 139.585 1.00 37.64 N ATOM 298 CA LEU A 50 21.772 26.774 138.138 1.00 34.25 C ATOM 299 C LEU A 50 23.183 27.161 137.724 1.00 35.67 C ATOM 300 O LEU A 50 23.640 26.769 136.645 1.00 39.50 O ATOM 301 CB LEU A 50 20.762 27.789 137.615 1.00 39.13 C ATOM 302 CG LEU A 50 20.196 27.573 136.221 1.00 41.16 C ATOM 303 CD1 LEU A 50 19.790 26.131 136.036 1.00 38.02 C ATOM 304 CD2 LEU A 50 19.007 28.499 136.015 1.00 45.01 C ATOM 305 H LEU A 50 21.038 27.330 140.105 1.00 0.00 H ATOM 306 N ALA A 51 23.893 27.906 138.575 1.00 36.21 N ATOM 307 CA ALA A 51 25.226 28.380 138.224 1.00 37.59 C ATOM 308 C ALA A 51 26.234 27.248 138.135 1.00 40.67 C ATOM 309 O ALA A 51 27.231 27.380 137.416 1.00 49.64 O ATOM 310 CB ALA A 51 25.701 29.421 139.237 1.00 47.18 C ATOM 311 H ALA A 51 23.489 28.152 139.501 1.00 0.00 H ATOM 312 N ALA A 52 25.986 26.137 138.824 1.00 34.74 N ATOM 313 CA ALA A 52 26.932 25.030 138.872 1.00 34.63 C ATOM 314 C ALA A 52 26.721 23.999 137.775 1.00 34.82 C ATOM 315 O ALA A 52 27.594 23.152 137.569 1.00 40.95 O ATOM 316 CB ALA A 52 26.857 24.329 140.233 1.00 36.01 C ATOM 317 H ALA A 52 25.089 26.056 139.344 1.00 0.00 H ATOM 318 N LEU A 53 25.604 24.044 137.061 1.00 29.00 N ATOM 319 CA LEU A 53 25.202 22.928 136.220 1.00 27.30 C ATOM 320 C LEU A 53 25.670 23.117 134.781 1.00 25.22 C ATOM 321 O LEU A 53 25.464 24.177 134.181 1.00 24.78 O ATOM 322 CB LEU A 53 23.680 22.753 136.278 1.00 29.01 C ATOM 323 CG LEU A 53 23.033 21.819 135.265 1.00 23.01 C ATOM 324 CD1 LEU A 53 23.330 20.418 135.702 1.00 24.77 C ATOM 325 CD2 LEU A 53 21.524 22.028 135.251 1.00 27.45 C ATOM 326 H LEU A 53 25.005 24.893 137.103 1.00 0.00 H ATOM 327 N ILE A 54 26.310 22.088 134.238 1.00 24.69 N ATOM 328 CA ILE A 54 26.541 21.979 132.805 1.00 22.87 C ATOM 329 C ILE A 54 25.889 20.697 132.325 1.00 22.12 C ATOM 330 O ILE A 54 26.123 19.630 132.901 1.00 24.87 O ATOM 331 CB ILE A 54 28.037 21.974 132.454 1.00 24.49 C ATOM 332 CG1 ILE A 54 28.699 23.257 132.941 1.00 26.49 C ATOM 333 CG2 ILE A 54 28.196 21.813 130.936 1.00 25.94 C ATOM 334 CD1 ILE A 54 30.236 23.254 132.850 1.00 30.86 C ATOM 335 H ILE A 54 26.659 21.331 134.860 1.00 0.00 H ATOM 336 N VAL A 55 25.072 20.806 131.279 1.00 21.77 N ATOM 337 CA VAL A 55 24.472 19.659 130.611 1.00 20.70 C ATOM 338 C VAL A 55 24.932 19.674 129.164 1.00 22.62 C ATOM 339 O VAL A 55 24.783 20.688 128.471 1.00 25.84 O ATOM 340 CB VAL A 55 22.936 19.688 130.678 1.00 22.92 C ATOM 341 CG1 VAL A 55 22.352 18.505 129.892 1.00 23.77 C ATOM 342 CG2 VAL A 55 22.464 19.657 132.118 1.00 26.04 C ATOM 343 H VAL A 55 24.851 21.757 130.921 1.00 0.00 H ATOM 344 N TYR A 56 25.480 18.559 128.710 1.00 24.08 N ATOM 345 CA TYR A 56 25.982 18.455 127.351 1.00 21.50 C ATOM 346 C TYR A 56 25.473 17.166 126.727 1.00 23.39 C ATOM 347 O TYR A 56 25.652 16.082 127.291 1.00 25.11 O ATOM 348 CB TYR A 56 27.502 18.495 127.360 1.00 22.21 C ATOM 349 CG TYR A 56 28.142 18.287 126.014 1.00 28.96 C ATOM 350 CD1 TYR A 56 28.287 19.337 125.122 1.00 43.76 C ATOM 351 CD2 TYR A 56 28.622 17.039 125.646 1.00 29.38 C ATOM 352 CE1 TYR A 56 28.889 19.143 123.893 1.00 42.12 C ATOM 353 CE2 TYR A 56 29.233 16.840 124.423 1.00 35.21 C ATOM 354 CZ TYR A 56 29.355 17.893 123.554 1.00 36.86 C ATOM 355 OH TYR A 56 29.944 17.682 122.334 1.00 45.24 O ATOM 356 HH TYR A 56 29.958 18.531 121.825 1.00 0.00 H ATOM 357 H TYR A 56 25.553 17.736 129.342 1.00 0.00 H ATOM 358 N TRP A 57 24.855 17.280 125.559 1.00 24.47 N ATOM 359 CA TRP A 57 24.396 16.124 124.807 1.00 21.82 C ATOM 360 C TRP A 57 25.124 16.061 123.478 1.00 22.44 C ATOM 361 O TRP A 57 25.256 17.076 122.792 1.00 27.87 O ATOM 362 CB TRP A 57 22.898 16.209 124.527 1.00 19.81 C ATOM 363 CG TRP A 57 21.980 15.836 125.634 1.00 25.48 C ATOM 364 CD1 TRP A 57 21.405 16.677 126.546 1.00 26.66 C ATOM 365 CD2 TRP A 57 21.469 14.530 125.913 1.00 22.99 C ATOM 366 NE1 TRP A 57 20.582 15.967 127.389 1.00 22.11 N ATOM 367 CE2 TRP A 57 20.597 14.650 127.018 1.00 23.56 C ATOM 368 CE3 TRP A 57 21.659 13.269 125.334 1.00 24.75 C ATOM 369 CZ2 TRP A 57 19.910 13.566 127.543 1.00 24.97 C ATOM 370 CZ3 TRP A 57 20.992 12.185 125.871 1.00 26.16 C ATOM 371 CH2 TRP A 57 20.112 12.344 126.957 1.00 24.34 C ATOM 372 HE1 TRP A 57 20.037 16.366 128.180 1.00 0.00 H ATOM 373 H TRP A 57 24.693 18.230 125.168 1.00 0.00 H ATOM 374 N GLU A 58 25.563 14.864 123.106 1.00 22.46 N ATOM 375 CA GLU A 58 26.207 14.661 121.823 1.00 24.86 C ATOM 376 C GLU A 58 25.758 13.329 121.243 1.00 30.84 C ATOM 377 O GLU A 58 25.279 12.442 121.952 1.00 29.06 O ATOM 378 CB GLU A 58 27.724 14.687 121.980 1.00 29.59 C ATOM 379 CG GLU A 58 28.217 13.445 122.667 1.00 39.49 C ATOM 380 CD GLU A 58 29.707 13.341 122.668 1.00 44.66 C ATOM 381 OE1 GLU A 58 30.365 14.360 122.353 1.00 44.35 O ATOM 382 OE2 GLU A 58 30.209 12.229 122.942 1.00 48.19 O ATOM 383 H GLU A 58 25.442 14.055 123.749 1.00 0.00 H ATOM 384 N MET A 59 25.901 13.204 119.930 1.00 28.47 N ATOM 385 CA MET A 59 25.772 11.918 119.268 1.00 30.43 C ATOM 386 C MET A 59 26.908 11.836 118.269 1.00 34.07 C ATOM 387 O MET A 59 27.040 12.721 117.420 1.00 36.94 O ATOM 388 CB MET A 59 24.400 11.774 118.589 1.00 30.71 C ATOM 389 CG MET A 59 24.036 10.353 118.209 1.00 42.47 C ATOM 390 SD MET A 59 24.709 9.881 116.609 1.00 45.97 S ATOM 391 CE MET A 59 24.058 11.224 115.640 1.00 43.59 C ATOM 392 H MET A 59 26.111 14.048 119.360 1.00 0.00 H ATOM 393 N GLU A 60 27.740 10.804 118.394 1.00 39.04 N ATOM 394 CA GLU A 60 28.849 10.574 117.470 1.00 47.72 C ATOM 395 C GLU A 60 29.670 11.840 117.253 1.00 46.33 C ATOM 396 O GLU A 60 29.882 12.282 116.123 1.00 58.17 O ATOM 397 CB GLU A 60 28.341 10.051 116.133 1.00 53.00 C ATOM 398 CG GLU A 60 28.108 8.578 116.084 1.00 64.71 C ATOM 399 CD GLU A 60 27.362 8.182 114.835 1.00 71.54 C ATOM 400 OE1 GLU A 60 26.778 7.082 114.822 1.00 75.24 O ATOM 401 OE2 GLU A 60 27.344 8.986 113.878 1.00 74.87 O ATOM 402 H GLU A 60 27.595 10.137 119.178 1.00 0.00 H ATOM 403 N ASP A 61 30.096 12.452 118.350 1.00 49.59 N ATOM 404 CA ASP A 61 30.940 13.641 118.332 1.00 59.57 C ATOM 405 C ASP A 61 30.243 14.866 117.741 1.00 60.24 C ATOM 406 O ASP A 61 30.907 15.881 117.492 1.00 62.40 O ATOM 407 CB ASP A 61 32.248 13.378 117.570 1.00 70.68 C ATOM 408 CG ASP A 61 32.868 12.031 117.917 1.00 72.52 C ATOM 409 OD1 ASP A 61 33.161 11.787 119.106 1.00 70.16 O ATOM 410 OD2 ASP A 61 33.042 11.204 116.996 1.00 74.58 O ATOM 411 H ASP A 61 29.813 12.063 119.272 1.00 0.00 H ATOM 412 N LYS A 62 28.929 14.808 117.500 1.00 44.27 N ATOM 413 CA LYS A 62 28.160 15.972 117.074 1.00 41.65 C ATOM 414 C LYS A 62 27.518 16.625 118.292 1.00 35.92 C ATOM 415 O LYS A 62 26.761 15.973 119.022 1.00 33.36 O ATOM 416 CB LYS A 62 27.076 15.597 116.063 1.00 45.55 C ATOM 417 CG LYS A 62 27.530 14.769 114.874 1.00 52.25 C ATOM 418 CD LYS A 62 26.338 14.498 113.960 1.00 58.54 C ATOM 419 CE LYS A 62 26.608 13.351 112.996 1.00 78.25 C ATOM 420 NZ LYS A 62 26.694 12.035 113.690 1.00 84.03 N ATOM 421 HZ1 LYS A 62 27.468 12.061 114.385 1.00 0.00 H ATOM 422 HZ2 LYS A 62 25.796 11.842 114.177 1.00 0.00 H ATOM 423 HZ3 LYS A 62 26.879 11.287 112.991 1.00 0.00 H ATOM 424 H LYS A 62 28.437 13.900 117.621 1.00 0.00 H ATOM 425 N ASN A 63 27.793 17.915 118.493 1.00 38.50 N ATOM 426 CA ASN A 63 27.198 18.665 119.596 1.00 34.15 C ATOM 427 C ASN A 63 25.711 18.882 119.340 1.00 34.02 C ATOM 428 O ASN A 63 25.329 19.479 118.329 1.00 37.77 O ATOM 429 CB ASN A 63 27.920 20.004 119.760 1.00 44.20 C ATOM 430 CG ASN A 63 27.393 20.840 120.931 1.00 52.44 C ATOM 431 OD1 ASN A 63 26.189 21.039 121.098 1.00 38.00 O ATOM 432 ND2 ASN A 63 28.315 21.338 121.748 1.00 59.74 N ATOM 433 HD22 ASN A 63 29.322 21.147 121.573 1.00 0.00 H ATOM 434 HD21 ASN A 63 28.029 21.918 122.562 1.00 0.00 H ATOM 435 H ASN A 63 28.449 18.399 117.847 1.00 0.00 H ATOM 436 N ILE A 64 24.874 18.408 120.255 1.00 27.65 N ATOM 437 CA ILE A 64 23.429 18.598 120.156 1.00 28.59 C ATOM 438 C ILE A 64 22.960 19.743 121.043 1.00 33.68 C ATOM 439 O ILE A 64 22.267 20.650 120.583 1.00 35.87 O ATOM 440 CB ILE A 64 22.683 17.290 120.504 1.00 25.47 C ATOM 441 CG1 ILE A 64 23.128 16.136 119.621 1.00 27.02 C ATOM 442 CG2 ILE A 64 21.175 17.478 120.362 1.00 28.42 C ATOM 443 CD1 ILE A 64 22.608 14.807 120.131 1.00 26.54 C ATOM 444 H ILE A 64 25.259 17.885 121.067 1.00 0.00 H ATOM 445 N ILE A 65 23.342 19.715 122.320 1.00 28.74 N ATOM 446 CA ILE A 65 22.901 20.674 123.323 1.00 31.78 C ATOM 447 C ILE A 65 24.071 21.005 124.233 1.00 32.48 C ATOM 448 O ILE A 65 24.840 20.120 124.620 1.00 34.12 O ATOM 449 CB ILE A 65 21.723 20.111 124.150 1.00 38.36 C ATOM 450 CG1 ILE A 65 20.412 20.330 123.407 1.00 41.96 C ATOM 451 CG2 ILE A 65 21.683 20.739 125.544 1.00 42.13 C ATOM 452 CD1 ILE A 65 20.078 21.787 123.228 1.00 45.56 C ATOM 453 H ILE A 65 23.995 18.962 122.618 1.00 0.00 H ATOM 454 N GLN A 66 24.212 22.282 124.578 1.00 30.74 N ATOM 455 CA GLN A 66 25.185 22.697 125.585 1.00 38.12 C ATOM 456 C GLN A 66 24.506 23.719 126.480 1.00 46.35 C ATOM 457 O GLN A 66 24.320 24.871 126.076 1.00 55.75 O ATOM 458 CB GLN A 66 26.449 23.282 124.961 1.00 40.18 C ATOM 459 CG GLN A 66 27.498 23.654 125.999 1.00 57.77 C ATOM 460 CD GLN A 66 28.892 23.728 125.418 1.00 69.32 C ATOM 461 OE1 GLN A 66 29.132 24.439 124.442 1.00 79.65 O ATOM 462 NE2 GLN A 66 29.821 22.976 126.007 1.00 68.80 N ATOM 463 HE22 GLN A 66 29.572 22.391 126.830 1.00 0.00 H ATOM 464 HE21 GLN A 66 30.796 22.974 125.644 1.00 0.00 H ATOM 465 H GLN A 66 23.616 23.001 124.120 1.00 0.00 H ATOM 466 N PHE A 67 24.142 23.297 127.686 1.00 29.36 N ATOM 467 CA PHE A 67 23.474 24.147 128.662 1.00 29.35 C ATOM 468 C PHE A 67 24.490 24.537 129.732 1.00 31.11 C ATOM 469 O PHE A 67 24.978 23.679 130.473 1.00 29.22 O ATOM 470 CB PHE A 67 22.286 23.408 129.256 1.00 29.97 C ATOM 471 CG PHE A 67 21.396 24.260 130.089 1.00 34.27 C ATOM 472 CD1 PHE A 67 20.459 25.089 129.495 1.00 45.54 C ATOM 473 CD2 PHE A 67 21.474 24.218 131.473 1.00 32.61 C ATOM 474 CE1 PHE A 67 19.619 25.871 130.265 1.00 45.51 C ATOM 475 CE2 PHE A 67 20.638 24.995 132.247 1.00 35.45 C ATOM 476 CZ PHE A 67 19.708 25.822 131.642 1.00 30.56 C ATOM 477 H PHE A 67 24.344 22.311 127.946 1.00 0.00 H ATOM 478 N VAL A 68 24.831 25.824 129.781 1.00 29.77 N ATOM 479 CA VAL A 68 25.825 26.371 130.701 1.00 32.82 C ATOM 480 C VAL A 68 25.314 27.716 131.210 1.00 28.64 C ATOM 481 O VAL A 68 24.756 28.508 130.443 1.00 38.09 O ATOM 482 CB VAL A 68 27.207 26.544 130.024 1.00 34.20 C ATOM 483 CG1 VAL A 68 28.260 26.950 131.053 1.00 36.61 C ATOM 484 CG2 VAL A 68 27.634 25.283 129.303 1.00 40.48 C ATOM 485 H VAL A 68 24.361 26.479 129.124 1.00 0.00 H ATOM 486 N HIS A 69 25.494 27.971 132.505 1.00 54.82 N ATOM 487 CA HIS A 69 25.077 29.234 133.118 1.00 57.92 C ATOM 488 C HIS A 69 23.577 29.472 132.941 1.00 57.40 C ATOM 489 O HIS A 69 23.127 30.604 132.756 1.00 68.66 O ATOM 490 CB HIS A 69 25.869 30.419 132.558 1.00 65.72 C ATOM 491 CG HIS A 69 27.354 30.233 132.590 1.00 72.42 C ATOM 492 ND1 HIS A 69 28.143 30.350 131.460 1.00 71.92 N ATOM 493 CD2 HIS A 69 28.198 29.957 133.612 1.00 75.31 C ATOM 494 CE1 HIS A 69 29.407 30.146 131.782 1.00 77.01 C ATOM 495 NE2 HIS A 69 29.467 29.905 133.081 1.00 78.80 N ATOM 496 H HIS A 69 25.946 27.249 133.101 1.00 0.00 H ATOM 497 N GLY A 70 22.796 28.398 132.980 1.00 53.72 N ATOM 498 CA GLY A 70 21.362 28.541 132.939 1.00 53.43 C ATOM 499 C GLY A 70 20.782 28.914 131.596 1.00 53.84 C ATOM 500 O GLY A 70 19.628 29.348 131.534 1.00 60.10 O ATOM 501 H GLY A 70 23.221 27.451 133.040 1.00 0.00 H ATOM 502 N GLU A 71 21.538 28.753 130.513 1.00 52.99 N ATOM 503 CA GLU A 71 21.028 29.067 129.185 1.00 62.21 C ATOM 504 C GLU A 71 21.632 28.108 128.169 1.00 63.82 C ATOM 505 O GLU A 71 22.790 27.695 128.303 1.00 51.74 O ATOM 506 CB GLU A 71 21.337 30.517 128.791 1.00 66.23 C ATOM 507 H GLU A 71 22.510 28.397 130.616 1.00 0.00 H ATOM 508 N GLU A 72 20.836 27.748 127.162 1.00 60.32 N ATOM 509 CA GLU A 72 21.336 26.930 126.067 1.00 50.68 C ATOM 510 C GLU A 72 22.318 27.736 125.222 1.00 52.07 C ATOM 511 O GLU A 72 22.175 28.949 125.053 1.00 60.07 O ATOM 512 CB GLU A 72 20.179 26.422 125.203 1.00 54.62 C ATOM 513 CG GLU A 72 19.412 25.239 125.792 1.00 55.86 C ATOM 514 CD GLU A 72 18.152 24.898 124.995 1.00 70.36 C ATOM 515 OE1 GLU A 72 17.556 23.822 125.228 1.00 70.01 O ATOM 516 OE2 GLU A 72 17.757 25.711 124.131 1.00 76.60 O ATOM 517 H GLU A 72 19.843 28.056 127.159 1.00 0.00 H ATOM 518 N ASP A 73 23.329 27.050 124.691 1.00 54.87 N ATOM 519 CA ASP A 73 24.464 27.709 124.042 1.00 71.44 C ATOM 520 C ASP A 73 24.672 27.159 122.631 1.00 74.13 C ATOM 521 O ASP A 73 25.256 26.087 122.450 1.00 76.96 O ATOM 522 CB ASP A 73 25.725 27.549 124.889 1.00 79.67 C ATOM 523 CG ASP A 73 26.933 28.256 124.293 1.00 88.50 C ATOM 524 OD1 ASP A 73 26.760 29.108 123.398 1.00 83.41 O ATOM 525 OD2 ASP A 73 28.064 27.962 124.732 1.00 99.75 O ATOM 526 H ASP A 73 23.311 26.011 124.739 1.00 0.00 H ATOM 527 N LEU A 74 24.182 27.895 121.640 1.00 72.77 N ATOM 528 CA LEU A 74 24.621 27.771 120.255 1.00 75.14 C ATOM 529 C LEU A 74 25.678 28.884 120.104 1.00 93.64 C ATOM 530 O LEU A 74 25.769 29.722 120.999 1.00106.75 O ATOM 531 CB LEU A 74 23.432 27.924 119.299 1.00 69.27 C ATOM 532 H LEU A 74 23.447 28.596 121.863 1.00 0.00 H ATOM 533 N LYS A 75 26.471 28.947 119.029 1.00 93.83 N ATOM 534 CA LYS A 75 26.340 28.155 117.812 1.00 89.53 C ATOM 535 C LYS A 75 27.401 27.078 117.701 1.00 82.27 C ATOM 536 O LYS A 75 28.001 26.892 116.643 1.00 87.94 O ATOM 537 CB LYS A 75 26.402 29.067 116.584 1.00 94.01 C ATOM 538 H LYS A 75 27.257 29.627 119.065 1.00 0.00 H ATOM 539 N VAL A 76 27.640 26.371 118.805 1.00 74.14 N ATOM 540 CA VAL A 76 28.426 25.143 118.744 1.00 73.88 C ATOM 541 C VAL A 76 27.559 23.955 118.346 1.00 66.43 C ATOM 542 O VAL A 76 28.086 22.881 118.023 1.00 59.37 O ATOM 543 CB VAL A 76 29.146 24.991 120.101 1.00 76.62 C ATOM 544 CG1 VAL A 76 28.161 25.138 121.256 1.00 73.67 C ATOM 545 CG2 VAL A 76 29.944 23.691 120.193 1.00 75.03 C ATOM 546 H VAL A 76 27.263 26.697 119.718 1.00 0.00 H ATOM 547 N GLN A 77 26.239 24.137 118.304 1.00 63.77 N ATOM 548 CA GLN A 77 25.328 23.061 117.936 1.00 54.22 C ATOM 549 C GLN A 77 25.555 22.619 116.496 1.00 52.15 C ATOM 550 O GLN A 77 25.731 23.446 115.595 1.00 59.66 O ATOM 551 CB GLN A 77 23.883 23.517 118.118 1.00 51.38 C ATOM 552 CG GLN A 77 22.862 22.463 117.784 1.00 47.30 C ATOM 553 CD GLN A 77 21.450 22.941 118.021 1.00 59.62 C ATOM 554 OE1 GLN A 77 20.973 23.853 117.347 1.00 71.05 O ATOM 555 NE2 GLN A 77 20.768 22.326 118.976 1.00 53.41 N ATOM 556 HE22 GLN A 77 21.212 21.560 119.521 1.00 0.00 H ATOM 557 HE21 GLN A 77 19.789 22.610 119.181 1.00 0.00 H ATOM 558 H GLN A 77 25.849 25.072 118.540 1.00 0.00 H ATOM 559 N HIS A 78 25.554 21.305 116.285 1.00 48.05 N ATOM 560 CA HIS A 78 25.769 20.742 114.961 1.00 54.08 C ATOM 561 C HIS A 78 24.596 21.075 114.042 1.00 55.40 C ATOM 562 O HIS A 78 23.450 21.201 114.481 1.00 54.23 O ATOM 563 CB HIS A 78 25.962 19.228 115.059 1.00 50.26 C ATOM 564 CG HIS A 78 26.464 18.596 113.799 1.00 56.29 C ATOM 565 ND1 HIS A 78 25.623 18.150 112.802 1.00 57.81 N ATOM 566 CD2 HIS A 78 27.723 18.332 113.375 1.00 61.42 C ATOM 567 CE1 HIS A 78 26.342 17.640 111.818 1.00 59.79 C ATOM 568 NE2 HIS A 78 27.620 17.740 112.140 1.00 62.79 N ATOM 569 H HIS A 78 25.395 20.664 117.088 1.00 0.00 H ATOM 570 N SER A 79 24.896 21.231 112.747 1.00 58.66 N ATOM 571 CA SER A 79 23.866 21.678 111.813 1.00 56.90 C ATOM 572 C SER A 79 22.732 20.665 111.693 1.00 57.32 C ATOM 573 O SER A 79 21.580 21.053 111.473 1.00 52.17 O ATOM 574 CB SER A 79 24.475 21.964 110.435 1.00 65.25 C ATOM 575 OG SER A 79 25.168 20.841 109.919 1.00 67.01 O ATOM 576 HG SER A 79 25.545 21.066 109.032 1.00 0.00 H ATOM 577 H SER A 79 25.859 21.035 112.407 1.00 0.00 H ATOM 578 N SER A 80 23.032 19.372 111.856 1.00 64.21 N ATOM 579 CA SER A 80 22.010 18.338 111.724 1.00 60.04 C ATOM 580 C SER A 80 20.904 18.474 112.758 1.00 58.99 C ATOM 581 O SER A 80 19.789 17.996 112.525 1.00 55.68 O ATOM 582 CB SER A 80 22.640 16.949 111.838 1.00 62.97 C ATOM 583 OG SER A 80 23.557 16.713 110.783 1.00 77.93 O ATOM 584 HG SER A 80 24.278 17.391 110.816 1.00 0.00 H ATOM 585 H SER A 80 24.010 19.098 112.081 1.00 0.00 H ATOM 586 N TYR A 81 21.183 19.113 113.892 1.00 56.36 N ATOM 587 CA TYR A 81 20.232 19.193 114.991 1.00 57.30 C ATOM 588 C TYR A 81 19.669 20.595 115.183 1.00 56.19 C ATOM 589 O TYR A 81 18.917 20.829 116.135 1.00 53.16 O ATOM 590 CB TYR A 81 20.892 18.688 116.277 1.00 37.67 C ATOM 591 CG TYR A 81 21.093 17.182 116.286 1.00 46.39 C ATOM 592 CD1 TYR A 81 20.025 16.330 116.526 1.00 43.78 C ATOM 593 CD2 TYR A 81 22.346 16.615 116.060 1.00 44.52 C ATOM 594 CE1 TYR A 81 20.188 14.958 116.536 1.00 46.85 C ATOM 595 CE2 TYR A 81 22.521 15.235 116.069 1.00 39.45 C ATOM 596 CZ TYR A 81 21.431 14.412 116.308 1.00 53.60 C ATOM 597 OH TYR A 81 21.562 13.039 116.331 1.00 49.31 O ATOM 598 HH TYR A 81 20.681 12.628 116.515 1.00 0.00 H ATOM 599 H TYR A 81 22.111 19.570 113.996 1.00 0.00 H ATOM 600 N ARG A 82 20.007 21.527 114.295 1.00 59.49 N ATOM 601 CA ARG A 82 19.506 22.891 114.399 1.00 62.46 C ATOM 602 C ARG A 82 17.983 22.918 114.291 1.00 62.46 C ATOM 603 O ARG A 82 17.397 22.278 113.413 1.00 62.72 O ATOM 604 CB ARG A 82 20.141 23.758 113.308 1.00 65.29 C ATOM 605 H ARG A 82 20.642 21.276 113.510 1.00 0.00 H ATOM 606 N GLN A 83 17.347 23.649 115.211 1.00 60.95 N ATOM 607 CA GLN A 83 15.897 23.842 115.270 1.00 54.91 C ATOM 608 C GLN A 83 15.104 22.556 115.501 1.00 52.46 C ATOM 609 O GLN A 83 13.868 22.579 115.483 1.00 58.33 O ATOM 610 CB GLN A 83 15.392 24.533 114.000 1.00 63.95 C ATOM 611 CG GLN A 83 15.529 26.051 114.014 1.00 73.67 C ATOM 612 CD GLN A 83 16.855 26.533 113.455 1.00 89.18 C ATOM 613 OE1 GLN A 83 17.728 25.733 113.125 1.00 95.44 O ATOM 614 NE2 GLN A 83 17.012 27.849 113.347 1.00 93.76 N ATOM 615 HE22 GLN A 83 16.246 28.490 113.638 1.00 0.00 H ATOM 616 HE21 GLN A 83 17.900 28.238 112.971 1.00 0.00 H ATOM 617 H GLN A 83 17.925 24.115 115.939 1.00 0.00 H ATOM 618 N ARG A 84 15.786 21.432 115.724 1.00 43.44 N ATOM 619 CA ARG A 84 15.112 20.175 116.023 1.00 40.84 C ATOM 620 C ARG A 84 15.414 19.623 117.404 1.00 33.28 C ATOM 621 O ARG A 84 14.780 18.643 117.810 1.00 37.78 O ATOM 622 CB ARG A 84 15.477 19.094 114.996 1.00 42.75 C ATOM 623 CG ARG A 84 14.887 19.295 113.639 1.00 46.56 C ATOM 624 CD ARG A 84 15.077 18.051 112.793 1.00 49.42 C ATOM 625 NE ARG A 84 16.431 17.517 112.911 1.00 41.29 N ATOM 626 CZ ARG A 84 16.720 16.276 113.288 1.00 45.85 C ATOM 627 NH1 ARG A 84 17.984 15.892 113.367 1.00 43.61 N ATOM 628 NH2 ARG A 84 15.753 15.416 113.573 1.00 43.77 N ATOM 629 HE ARG A 84 17.223 18.151 112.684 1.00 0.00 H ATOM 630 HH12 ARG A 84 18.215 14.922 113.662 1.00 0.00 H ATOM 631 HH11 ARG A 84 18.746 16.560 113.135 1.00 0.00 H ATOM 632 HH22 ARG A 84 15.989 14.447 113.867 1.00 0.00 H ATOM 633 HH21 ARG A 84 14.758 15.710 113.502 1.00 0.00 H ATOM 634 H ARG A 84 16.825 21.453 115.684 1.00 0.00 H ATOM 635 N ALA A 85 16.354 20.202 118.135 1.00 29.55 N ATOM 636 CA ALA A 85 16.778 19.640 119.405 1.00 27.35 C ATOM 637 C ALA A 85 16.658 20.691 120.491 1.00 29.72 C ATOM 638 O ALA A 85 17.108 21.827 120.316 1.00 34.97 O ATOM 639 CB ALA A 85 18.214 19.127 119.319 1.00 30.51 C ATOM 640 H ALA A 85 16.798 21.078 117.792 1.00 0.00 H ATOM 641 N ARG A 86 16.066 20.307 121.616 1.00 30.05 N ATOM 642 CA ARG A 86 15.948 21.220 122.738 1.00 29.71 C ATOM 643 C ARG A 86 16.062 20.421 124.021 1.00 33.33 C ATOM 644 O ARG A 86 15.701 19.245 124.072 1.00 31.47 O ATOM 645 CB ARG A 86 14.620 21.997 122.705 1.00 35.35 C ATOM 646 CG ARG A 86 13.402 21.133 122.977 1.00 50.64 C ATOM 647 CD ARG A 86 12.110 21.830 122.586 1.00 66.91 C ATOM 648 NE ARG A 86 11.913 23.084 123.305 1.00 78.93 N ATOM 649 CZ ARG A 86 10.888 23.325 124.118 1.00 88.93 C ATOM 650 NH1 ARG A 86 9.961 22.397 124.314 1.00 88.27 N ATOM 651 NH2 ARG A 86 10.786 24.498 124.731 1.00 94.56 N ATOM 652 HE ARG A 86 12.618 23.837 123.174 1.00 0.00 H ATOM 653 HH12 ARG A 86 9.161 22.588 124.950 1.00 0.00 H ATOM 654 HH11 ARG A 86 10.034 21.479 123.832 1.00 0.00 H ATOM 655 HH22 ARG A 86 9.984 24.685 125.366 1.00 0.00 H ATOM 656 HH21 ARG A 86 11.508 25.230 124.576 1.00 0.00 H ATOM 657 H ARG A 86 15.683 19.343 121.694 1.00 0.00 H ATOM 658 N LEU A 87 16.605 21.071 125.045 1.00 26.65 N ATOM 659 CA LEU A 87 16.592 20.557 126.398 1.00 25.45 C ATOM 660 C LEU A 87 15.319 21.053 127.069 1.00 32.80 C ATOM 661 O LEU A 87 15.013 22.247 127.013 1.00 40.52 O ATOM 662 CB LEU A 87 17.838 21.039 127.142 1.00 30.15 C ATOM 663 CG LEU A 87 18.206 20.413 128.474 1.00 33.99 C ATOM 664 CD1 LEU A 87 18.600 18.965 128.265 1.00 31.20 C ATOM 665 CD2 LEU A 87 19.342 21.213 129.091 1.00 31.96 C ATOM 666 H LEU A 87 17.059 21.989 124.866 1.00 0.00 H ATOM 667 N LEU A 88 14.556 20.140 127.662 1.00 31.92 N ATOM 668 CA LEU A 88 13.305 20.526 128.316 1.00 38.20 C ATOM 669 C LEU A 88 13.653 21.116 129.679 1.00 35.66 C ATOM 670 O LEU A 88 13.757 20.408 130.683 1.00 40.04 O ATOM 671 CB LEU A 88 12.360 19.335 128.422 1.00 44.17 C ATOM 672 CG LEU A 88 11.987 18.669 127.088 1.00 44.82 C ATOM 673 CD1 LEU A 88 10.982 17.539 127.286 1.00 49.13 C ATOM 674 CD2 LEU A 88 11.453 19.687 126.096 1.00 42.59 C ATOM 675 H LEU A 88 14.851 19.143 127.661 1.00 0.00 H ATOM 676 N LYS A 89 13.838 22.442 129.709 1.00 41.32 N ATOM 677 CA LYS A 89 14.439 23.093 130.874 1.00 37.76 C ATOM 678 C LYS A 89 13.566 22.981 132.118 1.00 43.51 C ATOM 679 O LYS A 89 14.079 23.047 133.239 1.00 38.79 O ATOM 680 CB LYS A 89 14.725 24.568 130.579 1.00 43.77 C ATOM 681 CG LYS A 89 15.318 24.865 129.210 1.00 55.01 C ATOM 682 CD LYS A 89 14.218 25.207 128.206 1.00 72.46 C ATOM 683 CE LYS A 89 14.767 25.370 126.796 1.00 77.11 C ATOM 684 NZ LYS A 89 13.826 24.815 125.781 1.00 73.85 N ATOM 685 HZ1 LYS A 89 13.678 23.802 125.964 1.00 0.00 H ATOM 686 HZ2 LYS A 89 12.917 25.316 125.843 1.00 0.00 H ATOM 687 HZ3 LYS A 89 14.229 24.941 124.831 1.00 0.00 H ATOM 688 H LYS A 89 13.550 23.018 128.892 1.00 0.00 H ATOM 689 N ASP A 90 12.252 22.831 131.946 1.00 43.16 N ATOM 690 CA ASP A 90 11.354 22.702 133.089 1.00 50.12 C ATOM 691 C ASP A 90 11.612 21.432 133.894 1.00 45.80 C ATOM 692 O ASP A 90 11.174 21.339 135.047 1.00 50.31 O ATOM 693 CB ASP A 90 9.903 22.728 132.604 1.00 62.79 C ATOM 694 CG ASP A 90 9.624 21.656 131.562 1.00 77.23 C ATOM 695 OD1 ASP A 90 9.998 21.852 130.383 1.00 80.96 O ATOM 696 OD2 ASP A 90 9.046 20.610 131.924 1.00 80.54 O ATOM 697 H ASP A 90 11.861 22.806 130.982 1.00 0.00 H ATOM 698 N GLN A 91 12.305 20.454 133.314 1.00 35.23 N ATOM 699 CA GLN A 91 12.613 19.195 133.975 1.00 29.25 C ATOM 700 C GLN A 91 13.874 19.259 134.823 1.00 31.21 C ATOM 701 O GLN A 91 14.092 18.361 135.646 1.00 28.78 O ATOM 702 CB GLN A 91 12.764 18.082 132.932 1.00 42.58 C ATOM 703 CG GLN A 91 11.456 17.641 132.280 1.00 59.10 C ATOM 704 CD GLN A 91 10.538 16.931 133.252 1.00 64.82 C ATOM 705 OE1 GLN A 91 10.887 15.887 133.809 1.00 56.98 O ATOM 706 NE2 GLN A 91 9.358 17.496 133.465 1.00 72.25 N ATOM 707 HE22 GLN A 91 9.107 18.377 132.973 1.00 0.00 H ATOM 708 HE21 GLN A 91 8.683 17.058 134.125 1.00 0.00 H ATOM 709 H GLN A 91 12.643 20.597 132.341 1.00 0.00 H ATOM 710 N LEU A 92 14.700 20.293 134.646 1.00 29.53 N ATOM 711 CA LEU A 92 16.002 20.322 135.308 1.00 27.40 C ATOM 712 C LEU A 92 15.878 20.366 136.831 1.00 30.47 C ATOM 713 O LEU A 92 16.704 19.772 137.532 1.00 29.20 O ATOM 714 CB LEU A 92 16.820 21.512 134.801 1.00 29.99 C ATOM 715 CG LEU A 92 17.340 21.415 133.362 1.00 31.14 C ATOM 716 CD1 LEU A 92 18.000 22.715 132.976 1.00 31.04 C ATOM 717 CD2 LEU A 92 18.296 20.233 133.206 1.00 26.16 C ATOM 718 H LEU A 92 14.415 21.083 134.033 1.00 0.00 H ATOM 719 N SER A 93 14.858 21.039 137.369 1.00 33.58 N ATOM 720 CA SER A 93 14.732 21.097 138.825 1.00 33.06 C ATOM 721 C SER A 93 14.421 19.734 139.435 1.00 34.10 C ATOM 722 O SER A 93 14.698 19.522 140.618 1.00 37.19 O ATOM 723 CB SER A 93 13.657 22.112 139.237 1.00 33.61 C ATOM 724 OG SER A 93 12.370 21.724 138.779 1.00 37.71 O ATOM 725 HG SER A 93 12.378 21.660 137.791 1.00 0.00 H ATOM 726 H SER A 93 14.162 21.516 136.761 1.00 0.00 H ATOM 727 N LEU A 94 13.853 18.814 138.661 1.00 35.93 N ATOM 728 CA LEU A 94 13.647 17.441 139.102 1.00 33.70 C ATOM 729 C LEU A 94 14.893 16.587 138.912 1.00 32.89 C ATOM 730 O LEU A 94 14.852 15.384 139.193 1.00 37.66 O ATOM 731 CB LEU A 94 12.470 16.816 138.346 1.00 33.50 C ATOM 732 CG LEU A 94 11.158 17.582 138.495 1.00 42.48 C ATOM 733 CD1 LEU A 94 10.143 17.139 137.448 1.00 50.93 C ATOM 734 CD2 LEU A 94 10.618 17.371 139.889 1.00 40.80 C ATOM 735 H LEU A 94 13.544 19.085 137.705 1.00 0.00 H ATOM 736 N GLY A 95 15.985 17.186 138.454 1.00 30.62 N ATOM 737 CA GLY A 95 17.176 16.433 138.113 1.00 31.15 C ATOM 738 C GLY A 95 17.027 15.614 136.853 1.00 28.65 C ATOM 739 O GLY A 95 17.608 14.534 136.753 1.00 32.06 O ATOM 740 H GLY A 95 15.986 18.219 138.337 1.00 0.00 H ATOM 741 N ASN A 96 16.235 16.083 135.895 1.00 25.45 N ATOM 742 CA ASN A 96 16.017 15.367 134.646 1.00 22.24 C ATOM 743 C ASN A 96 16.587 16.203 133.506 1.00 25.37 C ATOM 744 O ASN A 96 16.144 17.335 133.276 1.00 28.55 O ATOM 745 CB ASN A 96 14.523 15.087 134.431 1.00 24.10 C ATOM 746 CG ASN A 96 14.251 14.234 133.193 1.00 37.91 C ATOM 747 OD1 ASN A 96 15.137 13.541 132.696 1.00 40.33 O ATOM 748 ND2 ASN A 96 13.011 14.267 132.708 1.00 39.45 N ATOM 749 HD22 ASN A 96 12.292 14.868 133.159 1.00 0.00 H ATOM 750 HD21 ASN A 96 12.762 13.692 131.878 1.00 0.00 H ATOM 751 H ASN A 96 15.754 16.993 136.042 1.00 0.00 H ATOM 752 N ALA A 97 17.575 15.656 132.816 1.00 24.40 N ATOM 753 CA ALA A 97 18.150 16.300 131.640 1.00 24.21 C ATOM 754 C ALA A 97 17.531 15.604 130.435 1.00 29.87 C ATOM 755 O ALA A 97 17.979 14.544 129.998 1.00 31.78 O ATOM 756 CB ALA A 97 19.668 16.210 131.641 1.00 25.18 C ATOM 757 H ALA A 97 17.954 14.737 133.122 1.00 0.00 H ATOM 758 N ALA A 98 16.451 16.172 129.931 1.00 26.01 N ATOM 759 CA ALA A 98 15.663 15.515 128.906 1.00 26.61 C ATOM 760 C ALA A 98 15.895 16.200 127.567 1.00 26.93 C ATOM 761 O ALA A 98 15.587 17.388 127.407 1.00 28.20 O ATOM 762 CB ALA A 98 14.184 15.533 129.291 1.00 26.63 C ATOM 763 H ALA A 98 16.160 17.109 130.276 1.00 0.00 H ATOM 764 N LEU A 99 16.431 15.443 126.606 1.00 24.58 N ATOM 765 CA LEU A 99 16.661 15.925 125.252 1.00 20.97 C ATOM 766 C LEU A 99 15.461 15.569 124.385 1.00 24.66 C ATOM 767 O LEU A 99 15.122 14.389 124.253 1.00 24.02 O ATOM 768 CB LEU A 99 17.931 15.297 124.676 1.00 20.50 C ATOM 769 CG LEU A 99 18.190 15.537 123.188 1.00 22.35 C ATOM 770 CD1 LEU A 99 18.340 17.014 122.900 1.00 24.24 C ATOM 771 CD2 LEU A 99 19.442 14.783 122.736 1.00 22.92 C ATOM 772 H LEU A 99 16.696 14.464 126.836 1.00 0.00 H ATOM 773 N GLN A 100 14.805 16.575 123.816 1.00 24.47 N ATOM 774 CA GLN A 100 13.720 16.341 122.872 1.00 25.65 C ATOM 775 C GLN A 100 14.209 16.625 121.460 1.00 29.83 C ATOM 776 O GLN A 100 14.716 17.716 121.179 1.00 27.96 O ATOM 777 CB GLN A 100 12.490 17.198 123.177 1.00 28.16 C ATOM 778 CG GLN A 100 11.358 16.900 122.198 1.00 34.24 C ATOM 779 CD GLN A 100 10.170 17.831 122.338 1.00 46.04 C ATOM 780 OE1 GLN A 100 10.311 19.055 122.312 1.00 45.31 O ATOM 781 NE2 GLN A 100 8.986 17.249 122.478 1.00 51.13 N ATOM 782 HE22 GLN A 100 8.915 16.212 122.494 1.00 0.00 H ATOM 783 HE21 GLN A 100 8.129 17.830 122.571 1.00 0.00 H ATOM 784 H GLN A 100 15.072 17.552 124.050 1.00 0.00 H ATOM 785 N ILE A 101 14.044 15.648 120.572 1.00 27.41 N ATOM 786 CA ILE A 101 14.354 15.803 119.155 1.00 25.92 C ATOM 787 C ILE A 101 13.048 15.672 118.382 1.00 27.35 C ATOM 788 O ILE A 101 12.355 14.653 118.491 1.00 28.43 O ATOM 789 CB ILE A 101 15.382 14.767 118.679 1.00 31.70 C ATOM 790 CG1 ILE A 101 16.696 14.951 119.444 1.00 36.84 C ATOM 791 CG2 ILE A 101 15.615 14.878 117.170 1.00 29.28 C ATOM 792 CD1 ILE A 101 17.799 14.016 119.021 1.00 43.03 C ATOM 793 H ILE A 101 13.678 14.733 120.903 1.00 0.00 H ATOM 794 N THR A 102 12.705 16.698 117.618 1.00 30.60 N ATOM 795 CA THR A 102 11.474 16.699 116.842 1.00 27.53 C ATOM 796 C THR A 102 11.755 16.258 115.414 1.00 28.35 C ATOM 797 O THR A 102 12.814 16.552 114.852 1.00 33.85 O ATOM 798 CB THR A 102 10.830 18.084 116.838 1.00 34.01 C ATOM 799 OG1 THR A 102 11.743 19.029 116.277 1.00 44.01 O ATOM 800 CG2 THR A 102 10.483 18.518 118.256 1.00 32.48 C ATOM 801 HG1 THR A 102 11.963 18.763 115.349 1.00 0.00 H ATOM 802 H THR A 102 13.333 17.526 117.571 1.00 0.00 H ATOM 803 N ASP A 103 10.794 15.528 114.837 1.00 27.28 N ATOM 804 CA ASP A 103 10.861 15.072 113.447 1.00 28.39 C ATOM 805 C ASP A 103 12.097 14.195 113.210 1.00 28.68 C ATOM 806 O ASP A 103 13.013 14.541 112.457 1.00 29.94 O ATOM 807 CB ASP A 103 10.834 16.277 112.499 1.00 30.98 C ATOM 808 CG ASP A 103 10.631 15.875 111.058 1.00 38.89 C ATOM 809 OD1 ASP A 103 10.209 14.728 110.819 1.00 35.34 O ATOM 810 OD2 ASP A 103 10.875 16.712 110.168 1.00 47.00 O ATOM 811 H ASP A 103 9.960 15.272 115.402 1.00 0.00 H ATOM 812 N VAL A 104 12.076 13.025 113.856 1.00 23.17 N ATOM 813 CA VAL A 104 13.232 12.133 113.845 1.00 23.22 C ATOM 814 C VAL A 104 13.563 11.682 112.428 1.00 27.74 C ATOM 815 O VAL A 104 12.678 11.327 111.637 1.00 25.72 O ATOM 816 CB VAL A 104 12.973 10.930 114.770 1.00 24.01 C ATOM 817 CG1 VAL A 104 14.044 9.862 114.572 1.00 25.46 C ATOM 818 CG2 VAL A 104 12.983 11.386 116.230 1.00 27.88 C ATOM 819 H VAL A 104 11.220 12.745 114.376 1.00 0.00 H ATOM 820 N LYS A 105 14.860 11.702 112.107 1.00 25.15 N ATOM 821 CA LYS A 105 15.407 11.298 110.818 1.00 28.00 C ATOM 822 C LYS A 105 16.245 10.034 110.973 1.00 27.23 C ATOM 823 O LYS A 105 16.636 9.656 112.079 1.00 25.99 O ATOM 824 CB LYS A 105 16.274 12.414 110.228 1.00 35.29 C ATOM 825 CG LYS A 105 15.543 13.717 109.922 1.00 43.84 C ATOM 826 CD LYS A 105 14.454 13.499 108.888 1.00 52.44 C ATOM 827 CE LYS A 105 13.782 14.807 108.488 1.00 55.81 C ATOM 828 NZ LYS A 105 12.715 14.562 107.472 1.00 46.30 N ATOM 829 HZ1 LYS A 105 13.136 14.127 106.626 1.00 0.00 H ATOM 830 HZ2 LYS A 105 11.998 13.923 107.871 1.00 0.00 H ATOM 831 HZ3 LYS A 105 12.270 15.466 107.213 1.00 0.00 H ATOM 832 H LYS A 105 15.530 12.031 112.832 1.00 0.00 H ATOM 833 N LEU A 106 16.519 9.371 109.843 1.00 27.84 N ATOM 834 CA LEU A 106 17.338 8.164 109.909 1.00 26.91 C ATOM 835 C LEU A 106 18.731 8.471 110.447 1.00 26.86 C ATOM 836 O LEU A 106 19.295 7.663 111.191 1.00 29.62 O ATOM 837 CB LEU A 106 17.413 7.492 108.539 1.00 29.76 C ATOM 838 CG LEU A 106 16.178 6.604 108.279 1.00 32.66 C ATOM 839 CD1 LEU A 106 16.065 6.221 106.819 1.00 33.69 C ATOM 840 CD2 LEU A 106 16.238 5.339 109.163 1.00 31.85 C ATOM 841 H LEU A 106 16.154 9.711 108.931 1.00 0.00 H ATOM 842 N GLN A 107 19.266 9.654 110.141 1.00 26.66 N ATOM 843 CA GLN A 107 20.586 10.031 110.636 1.00 28.49 C ATOM 844 C GLN A 107 20.601 10.262 112.146 1.00 26.53 C ATOM 845 O GLN A 107 21.687 10.450 112.714 1.00 29.05 O ATOM 846 CB GLN A 107 21.086 11.284 109.911 1.00 33.37 C ATOM 847 CG GLN A 107 20.035 12.368 109.775 1.00 48.77 C ATOM 848 CD GLN A 107 19.214 12.250 108.486 1.00 57.36 C ATOM 849 OE1 GLN A 107 18.715 11.179 108.145 1.00 48.72 O ATOM 850 NE2 GLN A 107 19.058 13.367 107.781 1.00 69.17 N ATOM 851 HE22 GLN A 107 19.497 14.252 108.105 1.00 0.00 H ATOM 852 HE21 GLN A 107 18.497 13.355 106.906 1.00 0.00 H ATOM 853 H GLN A 107 18.735 10.317 109.541 1.00 0.00 H ATOM 854 N ASP A 108 19.438 10.269 112.808 1.00 25.35 N ATOM 855 CA ASP A 108 19.384 10.392 114.264 1.00 21.99 C ATOM 856 C ASP A 108 19.650 9.075 114.982 1.00 28.01 C ATOM 857 O ASP A 108 19.820 9.076 116.207 1.00 28.05 O ATOM 858 CB ASP A 108 18.024 10.929 114.715 1.00 22.36 C ATOM 859 CG ASP A 108 17.790 12.364 114.304 1.00 35.20 C ATOM 860 OD1 ASP A 108 18.775 13.133 114.213 1.00 27.94 O ATOM 861 OD2 ASP A 108 16.603 12.722 114.082 1.00 32.91 O ATOM 862 H ASP A 108 18.550 10.185 112.273 1.00 0.00 H ATOM 863 N ALA A 109 19.675 7.959 114.263 1.00 23.00 N ATOM 864 CA ALA A 109 20.007 6.680 114.870 1.00 21.76 C ATOM 865 C ALA A 109 21.479 6.633 115.238 1.00 25.20 C ATOM 866 O ALA A 109 22.342 7.007 114.444 1.00 25.96 O ATOM 867 CB ALA A 109 19.674 5.540 113.908 1.00 28.66 C ATOM 868 H ALA A 109 19.453 8.000 113.248 1.00 0.00 H ATOM 869 N GLY A 110 21.767 6.171 116.443 1.00 22.74 N ATOM 870 CA GLY A 110 23.141 6.015 116.870 1.00 24.65 C ATOM 871 C GLY A 110 23.228 6.086 118.381 1.00 24.01 C ATOM 872 O GLY A 110 22.223 5.974 119.072 1.00 25.79 O ATOM 873 H GLY A 110 20.996 5.916 117.093 1.00 0.00 H ATOM 874 N VAL A 111 24.447 6.291 118.879 1.00 25.61 N ATOM 875 CA VAL A 111 24.695 6.316 120.313 1.00 20.64 C ATOM 876 C VAL A 111 24.827 7.760 120.784 1.00 25.13 C ATOM 877 O VAL A 111 25.730 8.489 120.354 1.00 27.39 O ATOM 878 CB VAL A 111 25.950 5.508 120.683 1.00 22.56 C ATOM 879 CG1 VAL A 111 26.241 5.673 122.171 1.00 28.76 C ATOM 880 CG2 VAL A 111 25.768 4.050 120.321 1.00 27.92 C ATOM 881 H VAL A 111 25.243 6.437 118.225 1.00 0.00 H ATOM 882 N TYR A 112 23.963 8.143 121.713 1.00 20.82 N ATOM 883 CA TYR A 112 23.932 9.453 122.348 1.00 19.52 C ATOM 884 C TYR A 112 24.624 9.369 123.694 1.00 20.11 C ATOM 885 O TYR A 112 24.609 8.327 124.349 1.00 26.75 O ATOM 886 CB TYR A 112 22.492 9.933 122.570 1.00 19.28 C ATOM 887 CG TYR A 112 21.772 10.253 121.287 1.00 19.78 C ATOM 888 CD1 TYR A 112 21.407 11.563 120.987 1.00 23.49 C ATOM 889 CD2 TYR A 112 21.453 9.249 120.381 1.00 24.65 C ATOM 890 CE1 TYR A 112 20.728 11.854 119.798 1.00 22.08 C ATOM 891 CE2 TYR A 112 20.788 9.531 119.210 1.00 24.52 C ATOM 892 CZ TYR A 112 20.439 10.839 118.924 1.00 24.47 C ATOM 893 OH TYR A 112 19.799 11.148 117.745 1.00 26.93 O ATOM 894 HH TYR A 112 20.371 10.884 116.981 1.00 0.00 H ATOM 895 H TYR A 112 23.248 7.450 122.013 1.00 0.00 H ATOM 896 N ARG A 113 25.226 10.480 124.113 1.00 21.34 N ATOM 897 CA ARG A 113 25.788 10.559 125.453 1.00 21.45 C ATOM 898 C ARG A 113 25.302 11.813 126.144 1.00 23.25 C ATOM 899 O ARG A 113 25.302 12.895 125.547 1.00 25.53 O ATOM 900 CB ARG A 113 27.325 10.559 125.469 1.00 27.87 C ATOM 901 CG ARG A 113 27.941 9.483 124.651 1.00 31.58 C ATOM 902 CD ARG A 113 29.451 9.681 124.666 1.00 37.20 C ATOM 903 NE ARG A 113 30.137 8.413 124.804 1.00 55.47 N ATOM 904 CZ ARG A 113 31.393 8.308 125.219 1.00 60.06 C ATOM 905 NH1 ARG A 113 31.981 7.115 125.313 1.00 54.46 N ATOM 906 NH2 ARG A 113 32.042 9.399 125.584 1.00 57.84 N ATOM 907 HE ARG A 113 29.620 7.542 124.566 1.00 0.00 H ATOM 908 HH12 ARG A 113 32.966 7.045 125.640 1.00 0.00 H ATOM 909 HH11 ARG A 113 31.455 6.254 125.060 1.00 0.00 H ATOM 910 HH22 ARG A 113 33.027 9.333 125.912 1.00 0.00 H ATOM 911 HH21 ARG A 113 31.568 10.324 125.544 1.00 0.00 H ATOM 912 H ARG A 113 25.295 11.299 123.476 1.00 0.00 H ATOM 913 N CYS A 114 24.800 11.612 127.366 1.00 22.76 N ATOM 914 CA CYS A 114 24.683 12.642 128.379 1.00 27.94 C ATOM 915 C CYS A 114 26.030 12.910 128.983 1.00 27.18 C ATOM 916 O CYS A 114 26.748 11.981 129.320 1.00 29.90 O ATOM 917 CB CYS A 114 23.784 12.178 129.512 1.00 20.59 C ATOM 918 SG CYS A 114 22.310 11.985 128.873 1.00 53.73 S ATOM 919 H CYS A 114 24.472 10.655 127.606 1.00 0.00 H ATOM 920 N MET A 115 26.354 14.174 129.165 1.00 26.30 N ATOM 921 CA MET A 115 27.476 14.535 130.029 1.00 25.45 C ATOM 922 C MET A 115 27.014 15.635 130.960 1.00 28.03 C ATOM 923 O MET A 115 26.502 16.659 130.502 1.00 27.77 O ATOM 924 CB MET A 115 28.672 15.012 129.216 1.00 29.33 C ATOM 925 CG MET A 115 29.078 14.025 128.159 1.00 39.06 C ATOM 926 SD MET A 115 30.546 14.523 127.287 1.00 41.32 S ATOM 927 CE MET A 115 30.789 13.007 126.386 1.00 47.55 C ATOM 928 H MET A 115 25.807 14.920 128.690 1.00 0.00 H ATOM 929 N ILE A 116 27.174 15.430 132.263 1.00 24.63 N ATOM 930 CA ILE A 116 26.615 16.359 133.234 1.00 23.70 C ATOM 931 C ILE A 116 27.681 16.672 134.261 1.00 22.20 C ATOM 932 O ILE A 116 28.296 15.755 134.814 1.00 25.36 O ATOM 933 CB ILE A 116 25.358 15.801 133.918 1.00 23.49 C ATOM 934 CG1 ILE A 116 24.310 15.485 132.845 1.00 26.81 C ATOM 935 CG2 ILE A 116 24.842 16.796 134.949 1.00 28.34 C ATOM 936 CD1 ILE A 116 23.002 14.971 133.385 1.00 35.41 C ATOM 937 H ILE A 116 27.704 14.598 132.592 1.00 0.00 H ATOM 938 N SER A 117 27.914 17.960 134.486 1.00 22.58 N ATOM 939 CA SER A 117 28.732 18.444 135.587 1.00 24.21 C ATOM 940 C SER A 117 27.813 19.167 136.563 1.00 30.81 C ATOM 941 O SER A 117 27.134 20.131 136.188 1.00 30.06 O ATOM 942 CB SER A 117 29.839 19.371 135.082 1.00 27.50 C ATOM 943 OG SER A 117 30.502 20.013 136.155 1.00 27.72 O ATOM 944 HG SER A 117 30.908 19.331 136.746 1.00 0.00 H ATOM 945 H SER A 117 27.490 18.658 133.842 1.00 0.00 H ATOM 946 N TYR A 118 27.769 18.679 137.798 1.00 26.17 N ATOM 947 CA TYR A 118 26.946 19.290 138.835 1.00 27.19 C ATOM 948 C TYR A 118 27.581 18.955 140.176 1.00 27.56 C ATOM 949 O TYR A 118 27.180 17.997 140.848 1.00 30.15 O ATOM 950 CB TYR A 118 25.503 18.792 138.746 1.00 27.04 C ATOM 951 CG TYR A 118 24.560 19.552 139.644 1.00 29.05 C ATOM 952 CD1 TYR A 118 24.348 20.917 139.458 1.00 31.78 C ATOM 953 CD2 TYR A 118 23.885 18.914 140.678 1.00 30.24 C ATOM 954 CE1 TYR A 118 23.490 21.630 140.283 1.00 35.43 C ATOM 955 CE2 TYR A 118 23.025 19.617 141.503 1.00 31.91 C ATOM 956 CZ TYR A 118 22.835 20.974 141.304 1.00 37.10 C ATOM 957 OH TYR A 118 21.969 21.680 142.122 1.00 39.77 O ATOM 958 HH TYR A 118 22.278 21.616 143.060 1.00 0.00 H ATOM 959 H TYR A 118 28.336 17.839 138.031 1.00 0.00 H ATOM 960 N GLY A 119 28.591 19.726 140.562 1.00 30.35 N ATOM 961 CA GLY A 119 29.476 19.281 141.616 1.00 30.18 C ATOM 962 C GLY A 119 30.427 18.249 141.047 1.00 33.76 C ATOM 963 O GLY A 119 31.536 18.580 140.620 1.00 43.61 O ATOM 964 H GLY A 119 28.745 20.648 140.107 1.00 0.00 H ATOM 965 N GLY A 120 29.990 16.997 141.014 1.00 32.27 N ATOM 966 CA GLY A 120 30.733 15.946 140.361 1.00 29.69 C ATOM 967 C GLY A 120 30.443 15.940 138.876 1.00 26.09 C ATOM 968 O GLY A 120 29.842 16.863 138.326 1.00 27.28 O ATOM 969 H GLY A 120 29.085 16.766 141.472 1.00 0.00 H ATOM 970 N ALA A 121 30.889 14.874 138.217 1.00 25.75 N ATOM 971 CA ALA A 121 30.688 14.743 136.780 1.00 24.12 C ATOM 972 C ALA A 121 30.558 13.272 136.419 1.00 24.19 C ATOM 973 O ALA A 121 31.230 12.415 136.998 1.00 25.67 O ATOM 974 CB ALA A 121 31.837 15.385 135.992 1.00 23.93 C ATOM 975 H ALA A 121 31.388 14.123 138.735 1.00 0.00 H ATOM 976 N ASP A 122 29.680 12.985 135.463 1.00 22.87 N ATOM 977 CA ASP A 122 29.473 11.618 135.006 1.00 22.92 C ATOM 978 C ASP A 122 28.802 11.699 133.639 1.00 21.88 C ATOM 979 O ASP A 122 28.347 12.766 133.216 1.00 22.47 O ATOM 980 CB ASP A 122 28.639 10.829 136.037 1.00 29.33 C ATOM 981 CG ASP A 122 28.576 9.338 135.754 1.00 36.76 C ATOM 982 OD1 ASP A 122 29.472 8.810 135.053 1.00 26.98 O ATOM 983 OD2 ASP A 122 27.619 8.699 136.264 1.00 24.95 O ATOM 984 H ASP A 122 29.129 13.754 135.032 1.00 0.00 H ATOM 985 N TYR A 123 28.747 10.563 132.947 1.00 23.31 N ATOM 986 CA TYR A 123 28.085 10.526 131.649 1.00 24.30 C ATOM 987 C TYR A 123 27.494 9.142 131.430 1.00 23.70 C ATOM 988 O TYR A 123 27.944 8.158 132.022 1.00 26.10 O ATOM 989 CB TYR A 123 29.051 10.890 130.514 1.00 20.90 C ATOM 990 CG TYR A 123 29.935 9.753 130.082 1.00 28.74 C ATOM 991 CD1 TYR A 123 29.595 8.949 128.998 1.00 39.26 C ATOM 992 CD2 TYR A 123 31.109 9.478 130.757 1.00 26.34 C ATOM 993 CE1 TYR A 123 30.414 7.910 128.608 1.00 40.83 C ATOM 994 CE2 TYR A 123 31.927 8.449 130.380 1.00 39.06 C ATOM 995 CZ TYR A 123 31.578 7.665 129.308 1.00 46.10 C ATOM 996 OH TYR A 123 32.403 6.631 128.941 1.00 58.51 O ATOM 997 HH TYR A 123 33.295 6.990 128.706 1.00 0.00 H ATOM 998 H TYR A 123 29.178 9.699 133.334 1.00 0.00 H ATOM 999 N LYS A 124 26.462 9.076 130.584 1.00 23.63 N ATOM 1000 CA LYS A 124 25.861 7.801 130.213 1.00 20.51 C ATOM 1001 C LYS A 124 25.570 7.772 128.721 1.00 20.27 C ATOM 1002 O LYS A 124 25.348 8.813 128.096 1.00 25.12 O ATOM 1003 CB LYS A 124 24.552 7.516 130.963 1.00 24.97 C ATOM 1004 CG LYS A 124 24.740 7.221 132.430 1.00 27.99 C ATOM 1005 CD LYS A 124 25.331 5.836 132.603 1.00 33.94 C ATOM 1006 CE LYS A 124 25.302 5.395 134.051 1.00 38.45 C ATOM 1007 NZ LYS A 124 26.492 5.900 134.780 1.00 38.24 N ATOM 1008 HZ1 LYS A 124 27.354 5.528 134.333 1.00 0.00 H ATOM 1009 HZ2 LYS A 124 26.503 6.939 134.746 1.00 0.00 H ATOM 1010 HZ3 LYS A 124 26.450 5.585 135.770 1.00 0.00 H ATOM 1011 H LYS A 124 26.079 9.955 130.181 1.00 0.00 H ATOM 1012 N ARG A 125 25.525 6.559 128.170 1.00 22.14 N ATOM 1013 CA ARG A 125 25.177 6.337 126.772 1.00 21.60 C ATOM 1014 C ARG A 125 23.735 5.860 126.630 1.00 24.96 C ATOM 1015 O ARG A 125 23.209 5.149 127.496 1.00 26.01 O ATOM 1016 CB ARG A 125 26.103 5.311 126.112 1.00 25.77 C ATOM 1017 CG ARG A 125 27.559 5.452 126.442 1.00 38.71 C ATOM 1018 CD ARG A 125 28.332 4.293 125.836 1.00 55.20 C ATOM 1019 NE ARG A 125 28.681 3.282 126.828 1.00 77.07 N ATOM 1020 CZ ARG A 125 28.183 2.049 126.842 1.00 83.28 C ATOM 1021 NH1 ARG A 125 28.560 1.186 127.781 1.00 81.02 N ATOM 1022 NH2 ARG A 125 27.311 1.684 125.914 1.00 80.46 N ATOM 1023 HE ARG A 125 29.362 3.542 127.570 1.00 0.00 H ATOM 1024 HH12 ARG A 125 28.169 0.222 127.789 1.00 0.00 H ATOM 1025 HH11 ARG A 125 29.246 1.475 128.507 1.00 0.00 H ATOM 1026 HH22 ARG A 125 26.918 0.721 125.920 1.00 0.00 H ATOM 1027 HH21 ARG A 125 27.019 2.360 125.180 1.00 0.00 H ATOM 1028 H ARG A 125 25.748 5.735 128.764 1.00 0.00 H ATOM 1029 N ILE A 126 23.112 6.264 125.527 1.00 20.69 N ATOM 1030 CA ILE A 126 21.774 5.833 125.137 1.00 20.39 C ATOM 1031 C ILE A 126 21.821 5.493 123.659 1.00 24.08 C ATOM 1032 O ILE A 126 22.301 6.300 122.855 1.00 22.12 O ATOM 1033 CB ILE A 126 20.730 6.935 125.380 1.00 18.99 C ATOM 1034 CG1 ILE A 126 20.706 7.344 126.844 1.00 18.11 C ATOM 1035 CG2 ILE A 126 19.347 6.461 124.899 1.00 23.29 C ATOM 1036 CD1 ILE A 126 19.806 8.549 127.118 1.00 24.46 C ATOM 1037 H ILE A 126 23.610 6.930 124.902 1.00 0.00 H ATOM 1038 N THR A 127 21.310 4.319 123.299 1.00 21.94 N ATOM 1039 CA THR A 127 21.260 3.866 121.913 1.00 20.07 C ATOM 1040 C THR A 127 19.877 4.166 121.365 1.00 22.40 C ATOM 1041 O THR A 127 18.877 3.842 122.012 1.00 22.70 O ATOM 1042 CB THR A 127 21.546 2.370 121.816 1.00 22.55 C ATOM 1043 OG1 THR A 127 22.896 2.119 122.260 1.00 29.11 O ATOM 1044 CG2 THR A 127 21.401 1.882 120.386 1.00 28.96 C ATOM 1045 HG1 THR A 127 22.994 2.418 123.199 1.00 0.00 H ATOM 1046 H THR A 127 20.929 3.696 124.039 1.00 0.00 H ATOM 1047 N VAL A 128 19.826 4.787 120.188 1.00 19.53 N ATOM 1048 CA VAL A 128 18.569 5.087 119.504 1.00 20.01 C ATOM 1049 C VAL A 128 18.549 4.339 118.181 1.00 20.33 C ATOM 1050 O VAL A 128 19.495 4.437 117.385 1.00 22.81 O ATOM 1051 CB VAL A 128 18.400 6.602 119.285 1.00 19.92 C ATOM 1052 CG1 VAL A 128 17.208 6.891 118.402 1.00 23.55 C ATOM 1053 CG2 VAL A 128 18.301 7.319 120.625 1.00 21.26 C ATOM 1054 H VAL A 128 20.719 5.071 119.736 1.00 0.00 H ATOM 1055 N LYS A 129 17.478 3.574 117.960 1.00 19.65 N ATOM 1056 CA LYS A 129 17.209 2.910 116.693 1.00 19.71 C ATOM 1057 C LYS A 129 16.059 3.636 116.017 1.00 18.73 C ATOM 1058 O LYS A 129 15.103 4.037 116.685 1.00 21.63 O ATOM 1059 CB LYS A 129 16.810 1.442 116.899 1.00 26.53 C ATOM 1060 CG LYS A 129 17.825 0.607 117.650 1.00 31.37 C ATOM 1061 CD LYS A 129 19.060 0.411 116.798 1.00 38.53 C ATOM 1062 CE LYS A 129 20.033 -0.568 117.398 1.00 52.72 C ATOM 1063 NZ LYS A 129 21.407 -0.271 116.919 1.00 49.20 N ATOM 1064 HZ1 LYS A 129 21.436 -0.349 115.882 1.00 0.00 H ATOM 1065 HZ2 LYS A 129 21.671 0.694 117.203 1.00 0.00 H ATOM 1066 HZ3 LYS A 129 22.073 -0.951 117.338 1.00 0.00 H ATOM 1067 H LYS A 129 16.798 3.445 118.736 1.00 0.00 H ATOM 1068 N VAL A 130 16.146 3.810 114.700 1.00 19.91 N ATOM 1069 CA VAL A 130 15.069 4.451 113.941 1.00 21.42 C ATOM 1070 C VAL A 130 14.507 3.455 112.945 1.00 24.56 C ATOM 1071 O VAL A 130 15.238 2.948 112.079 1.00 26.00 O ATOM 1072 CB VAL A 130 15.538 5.723 113.225 1.00 22.26 C ATOM 1073 CG1 VAL A 130 14.386 6.334 112.395 1.00 23.43 C ATOM 1074 CG2 VAL A 130 16.071 6.722 114.251 1.00 24.51 C ATOM 1075 H VAL A 130 16.997 3.484 114.199 1.00 0.00 H ATOM 1076 N ASN A 131 13.206 3.177 113.070 1.00 20.30 N ATOM 1077 CA ASN A 131 12.453 2.472 112.034 1.00 21.26 C ATOM 1078 C ASN A 131 12.004 3.476 110.978 1.00 23.82 C ATOM 1079 O ASN A 131 11.620 4.599 111.309 1.00 26.77 O ATOM 1080 CB ASN A 131 11.222 1.796 112.644 1.00 21.63 C ATOM 1081 CG ASN A 131 11.582 0.686 113.616 1.00 20.88 C ATOM 1082 OD1 ASN A 131 10.864 0.470 114.618 1.00 24.72 O ATOM 1083 ND2 ASN A 131 12.618 -0.053 113.314 1.00 20.31 N ATOM 1084 HD22 ASN A 131 13.185 0.166 112.470 1.00 0.00 H ATOM 1085 HD21 ASN A 131 12.875 -0.860 113.918 1.00 0.00 H ATOM 1086 H ASN A 131 12.711 3.473 113.936 1.00 0.00 H ATOM 1087 N ALA A 132 12.040 3.076 109.705 1.00 22.54 N ATOM 1088 CA ALA A 132 11.613 3.978 108.635 1.00 26.03 C ATOM 1089 C ALA A 132 11.064 3.190 107.460 1.00 22.55 C ATOM 1090 O ALA A 132 11.559 2.099 107.159 1.00 20.07 O ATOM 1091 CB ALA A 132 12.774 4.865 108.159 1.00 25.01 C ATOM 1092 H ALA A 132 12.373 2.119 109.473 1.00 0.00 H ATOM 1093 N PRO A 133 10.045 3.712 106.781 1.00 24.53 N ATOM 1094 CA PRO A 133 9.503 3.028 105.605 1.00 24.09 C ATOM 1095 C PRO A 133 10.473 3.092 104.434 1.00 20.82 C ATOM 1096 O PRO A 133 11.453 3.840 104.422 1.00 25.15 O ATOM 1097 CB PRO A 133 8.213 3.796 105.295 1.00 27.17 C ATOM 1098 CG PRO A 133 7.896 4.526 106.575 1.00 26.45 C ATOM 1099 CD PRO A 133 9.221 4.856 107.190 1.00 24.90 C ATOM 1100 N TYR A 134 10.166 2.274 103.432 1.00 22.62 N ATOM 1101 CA TYR A 134 11.018 2.152 102.255 1.00 24.84 C ATOM 1102 C TYR A 134 11.338 3.506 101.624 1.00 25.46 C ATOM 1103 O TYR A 134 12.493 3.787 101.292 1.00 23.92 O ATOM 1104 CB TYR A 134 10.351 1.229 101.230 1.00 25.84 C ATOM 1105 CG TYR A 134 11.184 1.052 99.988 1.00 24.78 C ATOM 1106 CD1 TYR A 134 12.277 0.188 99.976 1.00 28.86 C ATOM 1107 CD2 TYR A 134 10.888 1.745 98.821 1.00 32.01 C ATOM 1108 CE1 TYR A 134 13.044 0.027 98.853 1.00 25.14 C ATOM 1109 CE2 TYR A 134 11.653 1.586 97.687 1.00 33.68 C ATOM 1110 CZ TYR A 134 12.732 0.724 97.702 1.00 29.51 C ATOM 1111 OH TYR A 134 13.493 0.573 96.569 1.00 36.14 O ATOM 1112 HH TYR A 134 12.923 0.238 95.832 1.00 0.00 H ATOM 1113 H TYR A 134 9.296 1.707 103.489 1.00 0.00 H ATOM 1114 N ALA A 135 10.326 4.359 101.428 1.00 27.76 N ATOM 1115 CA ALA A 135 10.575 5.604 100.706 1.00 25.99 C ATOM 1116 C ALA A 135 11.611 6.459 101.427 1.00 27.49 C ATOM 1117 O ALA A 135 12.496 7.042 100.788 1.00 28.70 O ATOM 1118 CB ALA A 135 9.270 6.375 100.517 1.00 31.47 C ATOM 1119 H ALA A 135 9.374 4.138 101.785 1.00 0.00 H ATOM 1120 N ALA A 136 11.539 6.513 102.763 1.00 24.51 N ATOM 1121 CA ALA A 136 12.504 7.288 103.535 1.00 24.82 C ATOM 1122 C ALA A 136 13.885 6.648 103.503 1.00 24.71 C ATOM 1123 O ALA A 136 14.896 7.347 103.348 1.00 30.04 O ATOM 1124 CB ALA A 136 12.022 7.430 104.974 1.00 26.15 C ATOM 1125 H ALA A 136 10.785 5.995 103.257 1.00 0.00 H ATOM 1126 N ALA A 137 13.951 5.325 103.662 1.00 23.31 N ATOM 1127 CA ALA A 137 15.243 4.645 103.599 1.00 23.89 C ATOM 1128 C ALA A 137 15.883 4.794 102.234 1.00 30.07 C ATOM 1129 O ALA A 137 17.108 4.921 102.127 1.00 30.43 O ATOM 1130 CB ALA A 137 15.083 3.167 103.934 1.00 23.54 C ATOM 1131 H ALA A 137 13.083 4.778 103.831 1.00 0.00 H ATOM 1132 N LEU A 138 15.077 4.753 101.175 1.00 25.45 N ATOM 1133 CA LEU A 138 15.637 4.848 99.829 1.00 28.01 C ATOM 1134 C LEU A 138 16.323 6.193 99.612 1.00 34.90 C ATOM 1135 O LEU A 138 17.407 6.264 99.018 1.00 36.68 O ATOM 1136 CB LEU A 138 14.534 4.629 98.797 1.00 27.24 C ATOM 1137 CG LEU A 138 14.970 4.649 97.332 1.00 31.72 C ATOM 1138 CD1 LEU A 138 15.829 3.428 97.002 1.00 36.74 C ATOM 1139 CD2 LEU A 138 13.739 4.697 96.449 1.00 38.06 C ATOM 1140 H LEU A 138 14.050 4.653 101.306 1.00 0.00 H ATOM 1141 N GLU A 139 15.712 7.273 100.093 1.00 36.73 N ATOM 1142 CA GLU A 139 16.365 8.574 100.019 1.00 41.79 C ATOM 1143 C GLU A 139 17.645 8.590 100.847 1.00 42.12 C ATOM 1144 O GLU A 139 18.674 9.111 100.402 1.00 44.21 O ATOM 1145 CB GLU A 139 15.398 9.665 100.482 1.00 52.38 C ATOM 1146 CG GLU A 139 15.881 11.087 100.227 1.00 72.65 C ATOM 1147 CD GLU A 139 16.002 11.408 98.750 1.00 85.68 C ATOM 1148 OE1 GLU A 139 15.163 10.916 97.964 1.00 85.99 O ATOM 1149 OE2 GLU A 139 16.935 12.150 98.376 1.00 92.84 O ATOM 1150 H GLU A 139 14.768 7.189 100.522 1.00 0.00 H ATOM 1151 N HIS A 140 17.602 8.025 102.058 1.00 44.50 N ATOM 1152 CA HIS A 140 18.801 7.950 102.892 1.00 37.30 C ATOM 1153 C HIS A 140 19.859 7.063 102.245 1.00 46.94 C ATOM 1154 O HIS A 140 21.064 7.341 102.335 1.00 42.15 O ATOM 1155 CB HIS A 140 18.419 7.430 104.281 1.00 47.99 C ATOM 1156 CG HIS A 140 19.554 7.360 105.258 1.00 61.60 C ATOM 1157 ND1 HIS A 140 20.255 8.473 105.675 1.00 68.27 N ATOM 1158 CD2 HIS A 140 20.075 6.313 105.942 1.00 57.43 C ATOM 1159 CE1 HIS A 140 21.172 8.111 106.554 1.00 71.99 C ATOM 1160 NE2 HIS A 140 21.084 6.805 106.734 1.00 66.40 N ATOM 1161 H HIS A 140 16.705 7.634 102.411 1.00 0.00 H ATOM 1162 N HIS A 141 19.420 5.999 101.569 1.00 42.45 N ATOM 1163 CA HIS A 141 20.337 5.079 100.903 1.00 51.97 C ATOM 1164 C HIS A 141 21.081 5.766 99.764 1.00 58.66 C ATOM 1165 O HIS A 141 22.273 5.509 99.552 1.00 61.28 O ATOM 1166 CB HIS A 141 19.549 3.867 100.393 1.00 45.49 C ATOM 1167 CG HIS A 141 20.388 2.801 99.761 1.00 40.94 C ATOM 1168 ND1 HIS A 141 21.269 2.021 100.478 1.00 43.18 N ATOM 1169 CD2 HIS A 141 20.451 2.360 98.482 1.00 42.88 C ATOM 1170 CE1 HIS A 141 21.854 1.160 99.664 1.00 46.53 C ATOM 1171 NE2 HIS A 141 21.374 1.344 98.447 1.00 46.65 N ATOM 1172 H HIS A 141 18.397 5.821 101.515 1.00 0.00 H ATOM 1173 N HIS A 142 20.404 6.652 99.035 1.00 62.08 N ATOM 1174 CA HIS A 142 20.971 7.317 97.866 1.00 69.25 C ATOM 1175 C HIS A 142 21.617 8.663 98.180 1.00 77.36 C ATOM 1176 O HIS A 142 22.113 9.320 97.259 1.00 82.54 O ATOM 1177 CB HIS A 142 19.889 7.514 96.796 1.00 69.27 C ATOM 1178 CG HIS A 142 19.437 6.243 96.144 1.00 69.96 C ATOM 1179 ND1 HIS A 142 20.142 5.063 96.240 1.00 72.64 N ATOM 1180 CD2 HIS A 142 18.347 5.969 95.387 1.00 69.40 C ATOM 1181 CE1 HIS A 142 19.509 4.116 95.571 1.00 72.19 C ATOM 1182 NE2 HIS A 142 18.416 4.640 95.044 1.00 71.26 N ATOM 1183 H HIS A 142 19.428 6.880 99.311 1.00 0.00 H ATOM 1184 N HIS A 143 21.622 9.094 99.440 1.00 78.11 N ATOM 1185 CA HIS A 143 22.214 10.381 99.810 1.00 73.56 C ATOM 1186 C HIS A 143 22.556 10.432 101.296 1.00 70.92 C ATOM 1187 O HIS A 143 23.577 9.896 101.723 1.00 75.70 O ATOM 1188 CB HIS A 143 21.268 11.531 99.455 1.00 67.63 C ATOM 1189 H HIS A 143 21.195 8.501 100.180 1.00 0.00 H TER 1190 HIS A 143 ATOM 1191 N ALA B 18 36.125 31.350 129.264 1.00 53.60 N ATOM 1192 CA ALA B 18 35.520 30.098 128.817 1.00 49.69 C ATOM 1193 C ALA B 18 36.487 28.922 128.965 1.00 48.54 C ATOM 1194 O ALA B 18 37.529 28.871 128.309 1.00 50.19 O ATOM 1195 CB ALA B 18 35.056 30.225 127.378 1.00 54.55 C ATOM 1196 HN3 ALA B 18 36.972 31.547 128.694 1.00 0.00 H ATOM 1197 HN2 ALA B 18 36.391 31.267 130.266 1.00 0.00 H ATOM 1198 HN1 ALA B 18 35.441 32.125 129.149 1.00 0.00 H ATOM 1199 N PHE B 19 36.120 27.973 129.823 1.00 42.83 N ATOM 1200 CA PHE B 19 36.995 26.852 130.136 1.00 36.69 C ATOM 1201 C PHE B 19 37.187 25.951 128.919 1.00 35.36 C ATOM 1202 O PHE B 19 36.217 25.493 128.308 1.00 40.29 O ATOM 1203 CB PHE B 19 36.426 26.054 131.305 1.00 33.57 C ATOM 1204 CG PHE B 19 37.278 24.884 131.702 1.00 36.36 C ATOM 1205 CD1 PHE B 19 38.446 25.078 132.428 1.00 37.68 C ATOM 1206 CD2 PHE B 19 36.919 23.595 131.346 1.00 35.91 C ATOM 1207 CE1 PHE B 19 39.242 24.003 132.796 1.00 39.39 C ATOM 1208 CE2 PHE B 19 37.701 22.513 131.707 1.00 31.06 C ATOM 1209 CZ PHE B 19 38.863 22.712 132.441 1.00 32.49 C ATOM 1210 H PHE B 19 35.188 28.033 130.280 1.00 0.00 H ATOM 1211 N THR B 20 38.442 25.683 128.570 1.00 31.12 N ATOM 1212 CA THR B 20 38.734 24.937 127.354 1.00 29.79 C ATOM 1213 C THR B 20 39.845 23.936 127.608 1.00 35.23 C ATOM 1214 O THR B 20 40.864 24.275 128.209 1.00 35.21 O ATOM 1215 CB THR B 20 39.138 25.882 126.216 1.00 35.06 C ATOM 1216 OG1 THR B 20 38.096 26.840 126.012 1.00 44.57 O ATOM 1217 CG2 THR B 20 39.350 25.103 124.941 1.00 34.96 C ATOM 1218 HG1 THR B 20 37.959 27.359 126.844 1.00 0.00 H ATOM 1219 H THR B 20 39.224 26.010 129.173 1.00 0.00 H ATOM 1220 N VAL B 21 39.645 22.711 127.150 1.00 29.23 N ATOM 1221 CA VAL B 21 40.673 21.679 127.172 1.00 24.49 C ATOM 1222 C VAL B 21 41.336 21.676 125.807 1.00 30.29 C ATOM 1223 O VAL B 21 40.649 21.753 124.784 1.00 32.96 O ATOM 1224 CB VAL B 21 40.063 20.303 127.487 1.00 30.23 C ATOM 1225 CG1 VAL B 21 41.058 19.222 127.215 1.00 29.56 C ATOM 1226 CG2 VAL B 21 39.555 20.239 128.929 1.00 25.27 C ATOM 1227 H VAL B 21 38.712 22.474 126.757 1.00 0.00 H ATOM 1228 N THR B 22 42.664 21.613 125.776 1.00 26.25 N ATOM 1229 CA THR B 22 43.374 21.588 124.506 1.00 32.67 C ATOM 1230 C THR B 22 44.320 20.396 124.474 1.00 28.42 C ATOM 1231 O THR B 22 44.838 19.973 125.516 1.00 33.08 O ATOM 1232 CB THR B 22 44.158 22.885 124.261 1.00 40.42 C ATOM 1233 OG1 THR B 22 45.129 23.054 125.297 1.00 44.03 O ATOM 1234 CG2 THR B 22 43.216 24.079 124.265 1.00 36.54 C ATOM 1235 HG1 THR B 22 44.670 23.104 126.173 1.00 0.00 H ATOM 1236 H THR B 22 43.200 21.581 126.667 1.00 0.00 H ATOM 1237 N VAL B 23 44.522 19.855 123.290 1.00 32.71 N ATOM 1238 CA VAL B 23 45.488 18.781 123.053 1.00 29.43 C ATOM 1239 C VAL B 23 46.494 19.282 122.040 1.00 34.89 C ATOM 1240 O VAL B 23 46.103 19.749 120.963 1.00 36.28 O ATOM 1241 CB VAL B 23 44.825 17.477 122.583 1.00 32.16 C ATOM 1242 CG1 VAL B 23 43.989 16.896 123.712 1.00 32.66 C ATOM 1243 CG2 VAL B 23 43.949 17.714 121.371 1.00 35.06 C ATOM 1244 H VAL B 23 43.968 20.208 122.484 1.00 0.00 H ATOM 1245 N PRO B 24 47.792 19.272 122.350 1.00 32.52 N ATOM 1246 CA PRO B 24 48.785 19.724 121.365 1.00 31.52 C ATOM 1247 C PRO B 24 48.806 18.865 120.118 1.00 29.43 C ATOM 1248 O PRO B 24 49.036 19.388 119.022 1.00 35.20 O ATOM 1249 CB PRO B 24 50.110 19.650 122.140 1.00 29.97 C ATOM 1250 CG PRO B 24 49.866 18.656 123.236 1.00 33.69 C ATOM 1251 CD PRO B 24 48.401 18.788 123.603 1.00 30.56 C ATOM 1252 N LYS B 25 48.562 17.562 120.260 1.00 24.79 N ATOM 1253 CA LYS B 25 48.472 16.613 119.154 1.00 28.18 C ATOM 1254 C LYS B 25 47.146 15.881 119.260 1.00 27.09 C ATOM 1255 O LYS B 25 46.804 15.382 120.335 1.00 28.23 O ATOM 1256 CB LYS B 25 49.608 15.583 119.194 1.00 32.53 C ATOM 1257 CG LYS B 25 50.944 16.050 118.666 1.00 37.36 C ATOM 1258 CD LYS B 25 52.087 15.220 119.253 1.00 47.09 C ATOM 1259 CE LYS B 25 51.899 13.717 119.059 1.00 42.79 C ATOM 1260 NZ LYS B 25 52.120 13.200 117.672 1.00 28.01 N ATOM 1261 HZ1 LYS B 25 51.452 13.661 117.021 1.00 0.00 H ATOM 1262 HZ2 LYS B 25 53.095 13.410 117.376 1.00 0.00 H ATOM 1263 HZ3 LYS B 25 51.966 12.172 117.658 1.00 0.00 H ATOM 1264 H LYS B 25 48.427 17.197 121.224 1.00 0.00 H ATOM 1265 N ASP B 26 46.403 15.788 118.157 1.00 25.33 N ATOM 1266 CA ASP B 26 45.191 14.978 118.189 1.00 28.03 C ATOM 1267 C ASP B 26 45.372 13.659 117.449 1.00 20.61 C ATOM 1268 O ASP B 26 44.409 12.897 117.302 1.00 23.48 O ATOM 1269 CB ASP B 26 43.982 15.755 117.652 1.00 27.84 C ATOM 1270 CG ASP B 26 44.120 16.154 116.196 1.00 32.68 C ATOM 1271 OD1 ASP B 26 45.134 15.828 115.553 1.00 33.11 O ATOM 1272 OD2 ASP B 26 43.185 16.804 115.689 1.00 41.45 O ATOM 1273 H ASP B 26 46.683 16.285 117.288 1.00 0.00 H ATOM 1274 N LEU B 27 46.594 13.366 117.010 1.00 20.11 N ATOM 1275 CA LEU B 27 46.944 12.098 116.390 1.00 20.86 C ATOM 1276 C LEU B 27 48.275 11.628 116.956 1.00 22.83 C ATOM 1277 O LEU B 27 49.241 12.397 116.985 1.00 24.15 O ATOM 1278 CB LEU B 27 47.077 12.235 114.870 1.00 22.03 C ATOM 1279 CG LEU B 27 47.477 10.961 114.119 1.00 24.81 C ATOM 1280 CD1 LEU B 27 46.363 9.900 114.166 1.00 23.20 C ATOM 1281 CD2 LEU B 27 47.797 11.342 112.700 1.00 24.35 C ATOM 1282 H LEU B 27 47.339 14.083 117.116 1.00 0.00 H ATOM 1283 N TYR B 28 48.331 10.372 117.388 1.00 22.37 N ATOM 1284 CA TYR B 28 49.592 9.729 117.758 1.00 22.62 C ATOM 1285 C TYR B 28 49.721 8.451 116.954 1.00 23.93 C ATOM 1286 O TYR B 28 48.731 7.722 116.778 1.00 24.39 O ATOM 1287 CB TYR B 28 49.662 9.383 119.268 1.00 21.36 C ATOM 1288 CG TYR B 28 49.743 10.572 120.187 1.00 21.34 C ATOM 1289 CD1 TYR B 28 50.893 10.821 120.919 1.00 22.46 C ATOM 1290 CD2 TYR B 28 48.658 11.436 120.340 1.00 23.48 C ATOM 1291 CE1 TYR B 28 50.976 11.893 121.768 1.00 21.26 C ATOM 1292 CE2 TYR B 28 48.731 12.525 121.196 1.00 21.51 C ATOM 1293 CZ TYR B 28 49.905 12.743 121.908 1.00 21.39 C ATOM 1294 OH TYR B 28 50.012 13.820 122.753 1.00 21.01 O ATOM 1295 HH TYR B 28 50.908 13.820 123.174 1.00 0.00 H ATOM 1296 H TYR B 28 47.448 9.828 117.466 1.00 0.00 H ATOM 1297 N VAL B 29 50.933 8.196 116.452 1.00 19.67 N ATOM 1298 CA VAL B 29 51.254 6.970 115.734 1.00 18.15 C ATOM 1299 C VAL B 29 52.372 6.316 116.520 1.00 18.62 C ATOM 1300 O VAL B 29 53.481 6.860 116.600 1.00 22.61 O ATOM 1301 CB VAL B 29 51.673 7.232 114.281 1.00 18.73 C ATOM 1302 CG1 VAL B 29 52.136 5.917 113.605 1.00 21.86 C ATOM 1303 CG2 VAL B 29 50.534 7.856 113.525 1.00 24.11 C ATOM 1304 H VAL B 29 51.682 8.906 116.580 1.00 0.00 H ATOM 1305 N VAL B 30 52.081 5.174 117.129 1.00 19.80 N ATOM 1306 CA VAL B 30 53.006 4.591 118.095 1.00 18.41 C ATOM 1307 C VAL B 30 53.303 3.146 117.715 1.00 20.45 C ATOM 1308 O VAL B 30 52.531 2.486 117.010 1.00 22.37 O ATOM 1309 CB VAL B 30 52.453 4.673 119.533 1.00 27.82 C ATOM 1310 CG1 VAL B 30 52.182 6.116 119.908 1.00 26.17 C ATOM 1311 CG2 VAL B 30 51.188 3.862 119.641 1.00 20.72 C ATOM 1312 H VAL B 30 51.186 4.690 116.916 1.00 0.00 H ATOM 1313 N GLU B 31 54.454 2.664 118.162 1.00 20.37 N ATOM 1314 CA GLU B 31 54.876 1.312 117.854 1.00 19.34 C ATOM 1315 C GLU B 31 54.397 0.351 118.932 1.00 18.34 C ATOM 1316 O GLU B 31 54.500 0.642 120.127 1.00 23.16 O ATOM 1317 CB GLU B 31 56.402 1.264 117.749 1.00 18.62 C ATOM 1318 CG GLU B 31 56.960 2.223 116.703 1.00 19.06 C ATOM 1319 CD GLU B 31 56.317 2.109 115.340 1.00 22.91 C ATOM 1320 OE1 GLU B 31 56.302 0.990 114.791 1.00 27.08 O ATOM 1321 OE2 GLU B 31 55.898 3.157 114.807 1.00 25.02 O ATOM 1322 H GLU B 31 55.067 3.268 118.746 1.00 0.00 H ATOM 1323 N TYR B 32 53.866 -0.791 118.495 1.00 19.62 N ATOM 1324 CA TYR B 32 53.531 -1.877 119.408 1.00 18.34 C ATOM 1325 C TYR B 32 54.690 -2.134 120.362 1.00 19.88 C ATOM 1326 O TYR B 32 55.840 -2.245 119.941 1.00 21.15 O ATOM 1327 CB TYR B 32 53.211 -3.136 118.590 1.00 19.83 C ATOM 1328 CG TYR B 32 52.931 -4.388 119.383 1.00 21.51 C ATOM 1329 CD1 TYR B 32 51.649 -4.643 119.873 1.00 26.27 C ATOM 1330 CD2 TYR B 32 53.926 -5.341 119.597 1.00 22.66 C ATOM 1331 CE1 TYR B 32 51.378 -5.794 120.581 1.00 24.26 C ATOM 1332 CE2 TYR B 32 53.658 -6.495 120.305 1.00 24.05 C ATOM 1333 CZ TYR B 32 52.384 -6.716 120.795 1.00 26.51 C ATOM 1334 OH TYR B 32 52.102 -7.867 121.494 1.00 29.92 O ATOM 1335 HH TYR B 32 51.151 -7.861 121.768 1.00 0.00 H ATOM 1336 H TYR B 32 53.686 -0.910 117.478 1.00 0.00 H ATOM 1337 N GLY B 33 54.389 -2.179 121.655 1.00 20.39 N ATOM 1338 CA GLY B 33 55.392 -2.477 122.660 1.00 21.80 C ATOM 1339 C GLY B 33 56.102 -1.279 123.247 1.00 20.94 C ATOM 1340 O GLY B 33 56.844 -1.441 124.229 1.00 23.51 O ATOM 1341 H GLY B 33 53.410 -1.996 121.954 1.00 0.00 H ATOM 1342 N SER B 34 55.899 -0.085 122.687 1.00 22.90 N ATOM 1343 CA SER B 34 56.488 1.143 123.203 1.00 22.34 C ATOM 1344 C SER B 34 55.671 1.692 124.371 1.00 23.05 C ATOM 1345 O SER B 34 54.615 1.165 124.733 1.00 27.08 O ATOM 1346 CB SER B 34 56.564 2.189 122.096 1.00 22.57 C ATOM 1347 OG SER B 34 55.253 2.643 121.780 1.00 30.45 O ATOM 1348 HG SER B 34 54.705 1.878 121.474 1.00 0.00 H ATOM 1349 H SER B 34 55.293 -0.029 121.844 1.00 0.00 H ATOM 1350 N ASN B 35 56.177 2.756 124.983 1.00 22.50 N ATOM 1351 CA ASN B 35 55.375 3.524 125.918 1.00 23.61 C ATOM 1352 C ASN B 35 54.851 4.773 125.209 1.00 27.27 C ATOM 1353 O ASN B 35 55.483 5.311 124.301 1.00 30.14 O ATOM 1354 CB ASN B 35 56.177 3.900 127.170 1.00 24.59 C ATOM 1355 CG ASN B 35 56.792 2.692 127.845 1.00 36.33 C ATOM 1356 OD1 ASN B 35 57.899 2.760 128.401 1.00 49.02 O ATOM 1357 ND2 ASN B 35 56.120 1.559 127.740 1.00 27.37 N ATOM 1358 HD22 ASN B 35 55.194 1.545 127.266 1.00 0.00 H ATOM 1359 HD21 ASN B 35 56.517 0.681 128.131 1.00 0.00 H ATOM 1360 H ASN B 35 57.158 3.042 124.791 1.00 0.00 H ATOM 1361 N MET B 36 53.654 5.203 125.601 1.00 19.41 N ATOM 1362 CA MET B 36 52.943 6.323 124.997 1.00 18.68 C ATOM 1363 C MET B 36 52.503 7.323 126.057 1.00 25.13 C ATOM 1364 O MET B 36 51.877 6.930 127.043 1.00 33.12 O ATOM 1365 CB MET B 36 51.675 5.851 124.309 1.00 27.73 C ATOM 1366 CG MET B 36 50.907 6.907 123.623 1.00 44.96 C ATOM 1367 SD MET B 36 49.546 6.056 122.789 1.00 33.82 S ATOM 1368 CE MET B 36 48.665 5.288 124.130 1.00 37.73 C ATOM 1369 H MET B 36 53.195 4.707 126.391 1.00 0.00 H ATOM 1370 N THR B 37 52.760 8.615 125.838 1.00 23.62 N ATOM 1371 CA THR B 37 52.193 9.659 126.692 1.00 24.40 C ATOM 1372 C THR B 37 51.329 10.572 125.830 1.00 22.93 C ATOM 1373 O THR B 37 51.840 11.242 124.927 1.00 23.73 O ATOM 1374 CB THR B 37 53.291 10.464 127.399 1.00 28.71 C ATOM 1375 OG1 THR B 37 54.097 9.586 128.212 1.00 28.03 O ATOM 1376 CG2 THR B 37 52.664 11.547 128.285 1.00 27.26 C ATOM 1377 HG1 THR B 37 54.515 8.897 127.637 1.00 0.00 H ATOM 1378 H THR B 37 53.376 8.885 125.044 1.00 0.00 H ATOM 1379 N ILE B 38 50.023 10.604 126.074 1.00 23.34 N ATOM 1380 CA ILE B 38 49.158 11.478 125.281 1.00 22.85 C ATOM 1381 C ILE B 38 48.779 12.688 126.129 1.00 22.43 C ATOM 1382 O ILE B 38 48.208 12.550 127.217 1.00 25.01 O ATOM 1383 CB ILE B 38 47.933 10.740 124.710 1.00 22.44 C ATOM 1384 CG1 ILE B 38 47.100 10.028 125.775 1.00 26.38 C ATOM 1385 CG2 ILE B 38 48.387 9.741 123.644 1.00 20.35 C ATOM 1386 CD1 ILE B 38 45.942 9.230 125.148 1.00 24.74 C ATOM 1387 H ILE B 38 49.617 10.010 126.825 1.00 0.00 H ATOM 1388 N GLU B 39 49.153 13.865 125.639 1.00 35.82 N ATOM 1389 CA GLU B 39 49.070 15.114 126.376 1.00 34.66 C ATOM 1390 C GLU B 39 47.683 15.729 126.299 1.00 31.69 C ATOM 1391 O GLU B 39 46.995 15.645 125.280 1.00 29.43 O ATOM 1392 CB GLU B 39 50.101 16.121 125.867 1.00 27.53 C ATOM 1393 CG GLU B 39 51.510 15.552 125.577 1.00 37.47 C ATOM 1394 CD GLU B 39 52.451 15.696 126.737 1.00 40.80 C ATOM 1395 OE1 GLU B 39 53.555 15.106 126.696 1.00 50.29 O ATOM 1396 OE2 GLU B 39 52.074 16.388 127.704 1.00 45.28 O ATOM 1397 H GLU B 39 49.528 13.894 124.669 1.00 0.00 H ATOM 1398 N CYS B 40 47.341 16.431 127.366 1.00 32.16 N ATOM 1399 CA CYS B 40 46.030 17.020 127.510 1.00 29.26 C ATOM 1400 C CYS B 40 46.167 18.170 128.491 1.00 30.37 C ATOM 1401 O CYS B 40 46.718 17.989 129.583 1.00 33.96 O ATOM 1402 CB CYS B 40 45.058 15.984 128.002 1.00 33.16 C ATOM 1403 SG CYS B 40 43.501 16.693 128.319 1.00 31.76 S ATOM 1404 H CYS B 40 48.038 16.563 128.126 1.00 0.00 H ATOM 1405 N LYS B 41 45.752 19.358 128.074 1.00 30.41 N ATOM 1406 CA LYS B 41 46.039 20.569 128.833 1.00 37.01 C ATOM 1407 C LYS B 41 44.758 21.285 129.230 1.00 34.58 C ATOM 1408 O LYS B 41 43.796 21.323 128.459 1.00 32.15 O ATOM 1409 CB LYS B 41 46.923 21.522 128.010 1.00 36.20 C ATOM 1410 CG LYS B 41 48.327 20.991 127.771 1.00 46.36 C ATOM 1411 CD LYS B 41 49.131 21.024 129.062 1.00 66.08 C ATOM 1412 CE LYS B 41 50.424 20.238 128.947 1.00 69.38 C ATOM 1413 NZ LYS B 41 50.982 20.275 127.566 1.00 68.25 N ATOM 1414 HZ1 LYS B 41 50.293 19.865 126.904 1.00 0.00 H ATOM 1415 HZ2 LYS B 41 51.177 21.261 127.298 1.00 0.00 H ATOM 1416 HZ3 LYS B 41 51.864 19.725 127.535 1.00 0.00 H ATOM 1417 H LYS B 41 45.211 19.427 127.188 1.00 0.00 H ATOM 1418 N PHE B 42 44.764 21.881 130.419 1.00 33.56 N ATOM 1419 CA PHE B 42 43.645 22.678 130.885 1.00 34.79 C ATOM 1420 C PHE B 42 44.172 23.891 131.643 1.00 40.38 C ATOM 1421 O PHE B 42 45.281 23.861 132.189 1.00 40.34 O ATOM 1422 CB PHE B 42 42.688 21.853 131.763 1.00 34.52 C ATOM 1423 CG PHE B 42 43.310 21.323 133.026 1.00 38.34 C ATOM 1424 CD1 PHE B 42 43.074 21.946 134.247 1.00 38.43 C ATOM 1425 CD2 PHE B 42 44.112 20.192 132.999 1.00 40.42 C ATOM 1426 CE1 PHE B 42 43.641 21.453 135.418 1.00 41.58 C ATOM 1427 CE2 PHE B 42 44.674 19.692 134.159 1.00 40.22 C ATOM 1428 CZ PHE B 42 44.445 20.327 135.369 1.00 41.83 C ATOM 1429 H PHE B 42 45.596 21.772 131.033 1.00 0.00 H ATOM 1430 N PRO B 43 43.414 24.985 131.649 1.00 38.10 N ATOM 1431 CA PRO B 43 43.917 26.228 132.245 1.00 40.36 C ATOM 1432 C PRO B 43 44.001 26.151 133.759 1.00 42.41 C ATOM 1433 O PRO B 43 43.072 25.694 134.430 1.00 43.39 O ATOM 1434 CB PRO B 43 42.880 27.288 131.827 1.00 47.70 C ATOM 1435 CG PRO B 43 41.772 26.550 131.199 1.00 46.09 C ATOM 1436 CD PRO B 43 42.279 25.236 130.754 1.00 37.56 C ATOM 1437 N VAL B 44 45.121 26.637 134.294 1.00 47.45 N ATOM 1438 CA VAL B 44 45.308 26.793 135.731 1.00 55.34 C ATOM 1439 C VAL B 44 46.014 28.121 135.959 1.00 63.67 C ATOM 1440 O VAL B 44 47.219 28.243 135.710 1.00 68.78 O ATOM 1441 CB VAL B 44 46.110 25.626 136.340 1.00 54.54 C ATOM 1442 CG1 VAL B 44 46.421 25.913 137.806 1.00 59.99 C ATOM 1443 CG2 VAL B 44 45.358 24.313 136.206 1.00 49.59 C ATOM 1444 H VAL B 44 45.895 26.917 133.658 1.00 0.00 H ATOM 1445 N GLU B 45 45.271 29.125 136.417 1.00 63.56 N ATOM 1446 CA GLU B 45 45.850 30.439 136.666 1.00 64.90 C ATOM 1447 C GLU B 45 46.467 30.498 138.058 1.00 72.92 C ATOM 1448 O GLU B 45 47.692 30.406 138.206 1.00 77.70 O ATOM 1449 CB GLU B 45 44.792 31.532 136.496 1.00 62.92 C ATOM 1450 H GLU B 45 44.259 28.969 136.601 1.00 0.00 H ATOM 1451 N LYS B 46 45.633 30.648 139.085 1.00 73.98 N ATOM 1452 CA LYS B 46 46.118 30.608 140.456 1.00 71.82 C ATOM 1453 C LYS B 46 46.480 29.169 140.831 1.00 76.34 C ATOM 1454 O LYS B 46 46.409 28.247 140.012 1.00 80.25 O ATOM 1455 CB LYS B 46 45.073 31.192 141.406 1.00 65.90 C ATOM 1456 H LYS B 46 44.620 30.796 138.904 1.00 0.00 H ATOM 1457 N GLN B 47 46.879 28.975 142.089 1.00 69.85 N ATOM 1458 CA GLN B 47 47.321 27.661 142.546 1.00 62.13 C ATOM 1459 C GLN B 47 46.231 26.613 142.333 1.00 59.99 C ATOM 1460 O GLN B 47 45.042 26.879 142.521 1.00 60.47 O ATOM 1461 CB GLN B 47 47.720 27.717 144.022 1.00 60.45 C ATOM 1462 H GLN B 47 46.875 29.773 142.755 1.00 0.00 H ATOM 1463 N LEU B 48 46.648 25.414 141.935 1.00 52.56 N ATOM 1464 CA LEU B 48 45.697 24.360 141.596 1.00 58.61 C ATOM 1465 C LEU B 48 44.881 23.964 142.819 1.00 62.15 C ATOM 1466 O LEU B 48 45.435 23.664 143.880 1.00 61.29 O ATOM 1467 CB LEU B 48 46.422 23.131 141.041 1.00 57.87 C ATOM 1468 CG LEU B 48 45.533 21.906 140.779 1.00 50.35 C ATOM 1469 CD1 LEU B 48 44.474 22.220 139.724 1.00 46.48 C ATOM 1470 CD2 LEU B 48 46.343 20.685 140.381 1.00 46.05 C ATOM 1471 H LEU B 48 47.668 25.225 141.864 1.00 0.00 H ATOM 1472 N ASP B 49 43.561 23.959 142.662 1.00 60.77 N ATOM 1473 CA ASP B 49 42.638 23.544 143.715 1.00 67.02 C ATOM 1474 C ASP B 49 42.217 22.112 143.398 1.00 63.76 C ATOM 1475 O ASP B 49 41.271 21.876 142.646 1.00 60.93 O ATOM 1476 CB ASP B 49 41.449 24.495 143.793 1.00 70.60 C ATOM 1477 CG ASP B 49 40.428 24.076 144.831 1.00 78.44 C ATOM 1478 OD1 ASP B 49 40.769 23.261 145.714 1.00 76.82 O ATOM 1479 OD2 ASP B 49 39.283 24.572 144.765 1.00 84.88 O ATOM 1480 H ASP B 49 43.168 24.264 141.749 1.00 0.00 H ATOM 1481 N LEU B 50 42.943 21.146 143.976 1.00 57.98 N ATOM 1482 CA LEU B 50 42.705 19.737 143.664 1.00 52.09 C ATOM 1483 C LEU B 50 41.285 19.317 143.992 1.00 45.81 C ATOM 1484 O LEU B 50 40.710 18.480 143.286 1.00 44.77 O ATOM 1485 CB LEU B 50 43.680 18.839 144.428 1.00 56.66 C ATOM 1486 CG LEU B 50 44.989 18.387 143.783 1.00 57.94 C ATOM 1487 CD1 LEU B 50 45.584 17.249 144.599 1.00 61.32 C ATOM 1488 CD2 LEU B 50 44.793 17.965 142.342 1.00 57.91 C ATOM 1489 H LEU B 50 43.687 21.402 144.657 1.00 0.00 H ATOM 1490 N ALA B 51 40.709 19.880 145.053 1.00 46.83 N ATOM 1491 CA ALA B 51 39.365 19.501 145.466 1.00 52.93 C ATOM 1492 C ALA B 51 38.319 19.815 144.409 1.00 54.00 C ATOM 1493 O ALA B 51 37.251 19.196 144.412 1.00 57.41 O ATOM 1494 CB ALA B 51 39.003 20.201 146.777 1.00 58.94 C ATOM 1495 H ALA B 51 41.227 20.601 145.595 1.00 0.00 H ATOM 1496 N ALA B 52 38.590 20.759 143.513 1.00 50.57 N ATOM 1497 CA ALA B 52 37.635 21.141 142.482 1.00 56.44 C ATOM 1498 C ALA B 52 37.916 20.494 141.132 1.00 51.00 C ATOM 1499 O ALA B 52 37.206 20.790 140.166 1.00 53.10 O ATOM 1500 CB ALA B 52 37.609 22.666 142.324 1.00 52.32 C ATOM 1501 H ALA B 52 39.512 21.239 143.549 1.00 0.00 H ATOM 1502 N LEU B 53 38.917 19.619 141.040 1.00 34.32 N ATOM 1503 CA LEU B 53 39.347 19.056 139.763 1.00 31.03 C ATOM 1504 C LEU B 53 38.835 17.627 139.573 1.00 36.86 C ATOM 1505 O LEU B 53 38.845 16.825 140.509 1.00 37.77 O ATOM 1506 CB LEU B 53 40.879 19.064 139.657 1.00 40.40 C ATOM 1507 CG LEU B 53 41.535 18.380 138.451 1.00 34.73 C ATOM 1508 CD1 LEU B 53 41.139 19.036 137.136 1.00 30.08 C ATOM 1509 CD2 LEU B 53 43.064 18.337 138.578 1.00 34.69 C ATOM 1510 H LEU B 53 39.409 19.327 141.908 1.00 0.00 H ATOM 1511 N ILE B 54 38.399 17.306 138.347 1.00 29.92 N ATOM 1512 CA ILE B 54 38.110 15.931 137.947 1.00 31.06 C ATOM 1513 C ILE B 54 38.766 15.680 136.598 1.00 29.54 C ATOM 1514 O ILE B 54 38.538 16.436 135.646 1.00 30.32 O ATOM 1515 CB ILE B 54 36.599 15.642 137.842 1.00 32.40 C ATOM 1516 CG1 ILE B 54 35.896 15.824 139.179 1.00 30.64 C ATOM 1517 CG2 ILE B 54 36.353 14.239 137.276 1.00 26.48 C ATOM 1518 CD1 ILE B 54 34.387 15.973 139.029 1.00 34.74 C ATOM 1519 H ILE B 54 38.261 18.067 137.652 1.00 0.00 H ATOM 1520 N VAL B 55 39.582 14.629 136.518 1.00 26.10 N ATOM 1521 CA VAL B 55 40.210 14.211 135.270 1.00 24.41 C ATOM 1522 C VAL B 55 39.749 12.799 134.964 1.00 23.83 C ATOM 1523 O VAL B 55 39.862 11.913 135.816 1.00 30.09 O ATOM 1524 CB VAL B 55 41.748 14.269 135.346 1.00 25.30 C ATOM 1525 CG1 VAL B 55 42.362 13.707 134.045 1.00 23.20 C ATOM 1526 CG2 VAL B 55 42.225 15.689 135.624 1.00 32.21 C ATOM 1527 H VAL B 55 39.779 14.084 137.382 1.00 0.00 H ATOM 1528 N TYR B 56 39.242 12.585 133.750 1.00 20.86 N ATOM 1529 CA TYR B 56 38.771 11.264 133.369 1.00 21.19 C ATOM 1530 C TYR B 56 39.244 10.961 131.962 1.00 22.47 C ATOM 1531 O TYR B 56 39.079 11.787 131.061 1.00 23.61 O ATOM 1532 CB TYR B 56 37.247 11.199 133.452 1.00 23.17 C ATOM 1533 CG TYR B 56 36.644 9.931 132.916 1.00 25.15 C ATOM 1534 CD1 TYR B 56 36.590 8.776 133.679 1.00 30.58 C ATOM 1535 CD2 TYR B 56 36.117 9.894 131.648 1.00 20.37 C ATOM 1536 CE1 TYR B 56 36.029 7.623 133.168 1.00 32.46 C ATOM 1537 CE2 TYR B 56 35.541 8.774 131.145 1.00 25.49 C ATOM 1538 CZ TYR B 56 35.498 7.642 131.899 1.00 21.78 C ATOM 1539 OH TYR B 56 34.933 6.542 131.312 1.00 26.19 O ATOM 1540 HH TYR B 56 34.955 5.783 131.947 1.00 0.00 H ATOM 1541 H TYR B 56 39.183 13.370 133.070 1.00 0.00 H ATOM 1542 N TRP B 57 39.851 9.795 131.782 1.00 21.19 N ATOM 1543 CA TRP B 57 40.284 9.340 130.470 1.00 21.30 C ATOM 1544 C TRP B 57 39.537 8.078 130.087 1.00 21.50 C ATOM 1545 O TRP B 57 39.420 7.150 130.893 1.00 20.94 O ATOM 1546 CB TRP B 57 41.783 9.024 130.452 1.00 19.79 C ATOM 1547 CG TRP B 57 42.694 10.178 130.341 1.00 21.80 C ATOM 1548 CD1 TRP B 57 43.261 10.891 131.363 1.00 22.47 C ATOM 1549 CD2 TRP B 57 43.206 10.733 129.132 1.00 19.30 C ATOM 1550 NE1 TRP B 57 44.085 11.872 130.855 1.00 22.26 N ATOM 1551 CE2 TRP B 57 44.077 11.785 129.487 1.00 22.34 C ATOM 1552 CE3 TRP B 57 43.034 10.423 127.778 1.00 20.88 C ATOM 1553 CZ2 TRP B 57 44.765 12.541 128.536 1.00 24.06 C ATOM 1554 CZ3 TRP B 57 43.714 11.186 126.827 1.00 24.48 C ATOM 1555 CH2 TRP B 57 44.565 12.231 127.215 1.00 21.00 C ATOM 1556 HE1 TRP B 57 44.623 12.563 131.416 1.00 0.00 H ATOM 1557 H TRP B 57 40.023 9.186 132.607 1.00 0.00 H ATOM 1558 N GLU B 58 39.121 8.006 128.829 1.00 19.92 N ATOM 1559 CA GLU B 58 38.482 6.801 128.343 1.00 20.86 C ATOM 1560 C GLU B 58 38.850 6.594 126.884 1.00 28.12 C ATOM 1561 O GLU B 58 39.286 7.517 126.187 1.00 25.02 O ATOM 1562 CB GLU B 58 36.964 6.881 128.471 1.00 25.56 C ATOM 1563 CG GLU B 58 36.439 8.013 127.665 1.00 30.74 C ATOM 1564 CD GLU B 58 35.094 7.718 127.119 1.00 48.90 C ATOM 1565 OE1 GLU B 58 34.960 7.822 125.887 1.00 47.61 O ATOM 1566 OE2 GLU B 58 34.195 7.382 127.916 1.00 55.59 O ATOM 1567 H GLU B 58 39.254 8.816 128.191 1.00 0.00 H ATOM 1568 N MET B 59 38.676 5.359 126.435 1.00 27.15 N ATOM 1569 CA MET B 59 38.780 5.037 125.020 1.00 28.07 C ATOM 1570 C MET B 59 37.642 4.088 124.716 1.00 28.53 C ATOM 1571 O MET B 59 37.543 3.032 125.342 1.00 27.02 O ATOM 1572 CB MET B 59 40.135 4.406 124.666 1.00 24.80 C ATOM 1573 CG MET B 59 40.320 4.273 123.195 1.00 51.43 C ATOM 1574 SD MET B 59 41.052 2.746 122.650 1.00 66.94 S ATOM 1575 CE MET B 59 40.106 1.645 123.521 1.00 28.87 C ATOM 1576 H MET B 59 38.459 4.600 127.112 1.00 0.00 H ATOM 1577 N GLU B 60 36.772 4.445 123.771 1.00 28.29 N ATOM 1578 CA GLU B 60 35.685 3.551 123.357 1.00 32.27 C ATOM 1579 C GLU B 60 34.861 3.065 124.549 1.00 33.19 C ATOM 1580 O GLU B 60 34.565 1.875 124.680 1.00 37.93 O ATOM 1581 CB GLU B 60 36.224 2.351 122.577 1.00 35.95 C ATOM 1582 CG GLU B 60 36.801 2.669 121.216 1.00 45.44 C ATOM 1583 CD GLU B 60 37.309 1.427 120.507 1.00 47.51 C ATOM 1584 OE1 GLU B 60 37.252 0.331 121.107 1.00 40.14 O ATOM 1585 OE2 GLU B 60 37.755 1.546 119.348 1.00 47.78 O ATOM 1586 H GLU B 60 36.866 5.376 123.318 1.00 0.00 H ATOM 1587 N ASP B 61 34.517 3.983 125.447 1.00 31.63 N ATOM 1588 CA ASP B 61 33.739 3.691 126.654 1.00 45.02 C ATOM 1589 C ASP B 61 34.453 2.801 127.666 1.00 36.29 C ATOM 1590 O ASP B 61 33.817 2.345 128.620 1.00 39.92 O ATOM 1591 CB ASP B 61 32.379 3.074 126.317 1.00 54.33 C ATOM 1592 CG ASP B 61 31.633 3.877 125.290 1.00 62.39 C ATOM 1593 OD1 ASP B 61 31.316 5.047 125.582 1.00 57.45 O ATOM 1594 OD2 ASP B 61 31.376 3.344 124.192 1.00 67.17 O ATOM 1595 H ASP B 61 34.817 4.965 125.283 1.00 0.00 H ATOM 1596 N LYS B 62 35.752 2.551 127.508 1.00 27.34 N ATOM 1597 CA LYS B 62 36.525 1.884 128.547 1.00 30.84 C ATOM 1598 C LYS B 62 37.118 2.922 129.495 1.00 24.85 C ATOM 1599 O LYS B 62 37.807 3.848 129.053 1.00 28.31 O ATOM 1600 CB LYS B 62 37.651 1.043 127.941 1.00 35.97 C ATOM 1601 CG LYS B 62 37.245 0.110 126.812 1.00 36.02 C ATOM 1602 CD LYS B 62 38.425 -0.758 126.407 1.00 39.05 C ATOM 1603 CE LYS B 62 38.193 -1.466 125.084 1.00 50.94 C ATOM 1604 NZ LYS B 62 37.185 -0.765 124.240 1.00 67.08 N ATOM 1605 HZ1 LYS B 62 36.278 -0.723 124.748 1.00 0.00 H ATOM 1606 HZ2 LYS B 62 37.515 0.200 124.037 1.00 0.00 H ATOM 1607 HZ3 LYS B 62 37.060 -1.285 123.348 1.00 0.00 H ATOM 1608 H LYS B 62 36.223 2.837 126.626 1.00 0.00 H ATOM 1609 N ASN B 63 36.853 2.766 130.795 1.00 23.72 N ATOM 1610 CA ASN B 63 37.443 3.634 131.807 1.00 22.84 C ATOM 1611 C ASN B 63 38.936 3.358 131.872 1.00 21.89 C ATOM 1612 O ASN B 63 39.333 2.247 132.230 1.00 26.45 O ATOM 1613 CB ASN B 63 36.858 3.363 133.196 1.00 24.92 C ATOM 1614 CG ASN B 63 35.356 3.564 133.283 1.00 45.81 C ATOM 1615 OD1 ASN B 63 34.771 4.392 132.583 1.00 43.72 O ATOM 1616 ND2 ASN B 63 34.724 2.808 134.185 1.00 46.62 N ATOM 1617 HD22 ASN B 63 35.259 2.121 134.754 1.00 0.00 H ATOM 1618 HD21 ASN B 63 33.697 2.906 134.318 1.00 0.00 H ATOM 1619 H ASN B 63 36.209 2.006 131.093 1.00 0.00 H ATOM 1620 N ILE B 64 39.764 4.356 131.564 1.00 20.82 N ATOM 1621 CA ILE B 64 41.211 4.147 131.609 1.00 20.33 C ATOM 1622 C ILE B 64 41.742 4.574 132.964 1.00 23.70 C ATOM 1623 O ILE B 64 42.410 3.803 133.657 1.00 25.91 O ATOM 1624 CB ILE B 64 41.938 4.905 130.491 1.00 18.25 C ATOM 1625 CG1 ILE B 64 41.420 4.452 129.136 1.00 22.08 C ATOM 1626 CG2 ILE B 64 43.485 4.688 130.612 1.00 21.14 C ATOM 1627 CD1 ILE B 64 41.927 5.280 128.014 1.00 24.65 C ATOM 1628 H ILE B 64 39.381 5.284 131.292 1.00 0.00 H ATOM 1629 N ILE B 65 41.475 5.817 133.347 1.00 22.72 N ATOM 1630 CA ILE B 65 41.944 6.307 134.632 1.00 25.37 C ATOM 1631 C ILE B 65 41.103 7.509 135.021 1.00 37.45 C ATOM 1632 O ILE B 65 40.377 8.073 134.200 1.00 32.09 O ATOM 1633 CB ILE B 65 43.458 6.633 134.570 1.00 32.86 C ATOM 1634 CG1 ILE B 65 44.038 6.665 135.983 1.00 43.40 C ATOM 1635 CG2 ILE B 65 43.704 7.914 133.792 1.00 27.70 C ATOM 1636 CD1 ILE B 65 45.511 6.551 136.012 1.00 48.06 C ATOM 1637 H ILE B 65 40.927 6.444 132.724 1.00 0.00 H ATOM 1638 N GLN B 66 41.160 7.874 136.300 1.00 41.43 N ATOM 1639 CA GLN B 66 40.456 9.057 136.757 1.00 36.84 C ATOM 1640 C GLN B 66 41.125 9.600 138.011 1.00 38.89 C ATOM 1641 O GLN B 66 41.866 8.905 138.710 1.00 29.74 O ATOM 1642 CB GLN B 66 38.977 8.764 137.011 1.00 29.75 C ATOM 1643 CG GLN B 66 38.712 7.776 138.106 1.00 36.19 C ATOM 1644 CD GLN B 66 37.286 7.266 138.035 1.00 39.80 C ATOM 1645 OE1 GLN B 66 36.859 6.769 136.999 1.00 45.64 O ATOM 1646 NE2 GLN B 66 36.543 7.397 139.126 1.00 39.70 N ATOM 1647 HE22 GLN B 66 36.948 7.825 139.983 1.00 0.00 H ATOM 1648 HE21 GLN B 66 35.555 7.072 139.125 1.00 0.00 H ATOM 1649 H GLN B 66 41.712 7.308 136.975 1.00 0.00 H ATOM 1650 N PHE B 67 40.879 10.879 138.250 1.00 32.85 N ATOM 1651 CA PHE B 67 41.348 11.580 139.434 1.00 37.35 C ATOM 1652 C PHE B 67 40.183 12.475 139.814 1.00 35.25 C ATOM 1653 O PHE B 67 39.865 13.406 139.071 1.00 32.90 O ATOM 1654 CB PHE B 67 42.609 12.386 139.122 1.00 28.29 C ATOM 1655 CG PHE B 67 43.422 12.735 140.310 1.00 42.12 C ATOM 1656 CD1 PHE B 67 44.156 11.766 140.969 1.00 53.12 C ATOM 1657 CD2 PHE B 67 43.477 14.040 140.761 1.00 53.25 C ATOM 1658 CE1 PHE B 67 44.923 12.090 142.067 1.00 61.19 C ATOM 1659 CE2 PHE B 67 44.239 14.370 141.862 1.00 64.58 C ATOM 1660 CZ PHE B 67 44.963 13.393 142.517 1.00 64.96 C ATOM 1661 H PHE B 67 40.320 11.411 137.553 1.00 0.00 H ATOM 1662 N VAL B 68 39.506 12.167 140.915 1.00 29.72 N ATOM 1663 CA VAL B 68 38.241 12.816 141.240 1.00 33.91 C ATOM 1664 C VAL B 68 38.438 13.535 142.561 1.00 38.70 C ATOM 1665 O VAL B 68 38.457 12.897 143.621 1.00 40.06 O ATOM 1666 CB VAL B 68 37.077 11.826 141.310 1.00 38.72 C ATOM 1667 CG1 VAL B 68 35.813 12.539 141.749 1.00 43.67 C ATOM 1668 CG2 VAL B 68 36.869 11.188 139.956 1.00 39.55 C ATOM 1669 H VAL B 68 39.887 11.446 141.560 1.00 0.00 H ATOM 1670 N HIS B 69 38.578 14.862 142.498 1.00 52.82 N ATOM 1671 CA HIS B 69 38.889 15.656 143.678 1.00 69.78 C ATOM 1672 C HIS B 69 40.005 14.974 144.461 1.00 71.83 C ATOM 1673 O HIS B 69 41.188 15.239 144.227 1.00 75.28 O ATOM 1674 CB HIS B 69 37.634 15.844 144.535 1.00 79.56 C ATOM 1675 CG HIS B 69 36.446 16.339 143.764 1.00 77.24 C ATOM 1676 ND1 HIS B 69 36.534 17.343 142.823 1.00 71.08 N ATOM 1677 CD2 HIS B 69 35.147 15.957 143.784 1.00 73.67 C ATOM 1678 CE1 HIS B 69 35.338 17.567 142.307 1.00 64.77 C ATOM 1679 NE2 HIS B 69 34.479 16.737 142.871 1.00 64.28 N ATOM 1680 H HIS B 69 38.462 15.340 141.582 1.00 0.00 H ATOM 1681 N GLY B 70 39.630 14.060 145.354 1.00 72.85 N ATOM 1682 CA GLY B 70 40.587 13.265 146.095 1.00 68.93 C ATOM 1683 C GLY B 70 41.655 12.617 145.236 1.00 64.50 C ATOM 1684 O GLY B 70 42.748 13.170 145.082 1.00 64.38 O ATOM 1685 H GLY B 70 38.615 13.912 145.525 1.00 0.00 H ATOM 1686 N GLU B 71 41.362 11.460 144.655 1.00 60.19 N ATOM 1687 CA GLU B 71 42.431 10.688 144.038 1.00 59.81 C ATOM 1688 C GLU B 71 41.821 9.749 142.998 1.00 51.04 C ATOM 1689 O GLU B 71 40.716 9.984 142.511 1.00 40.49 O ATOM 1690 CB GLU B 71 43.240 9.941 145.114 1.00 66.36 C ATOM 1691 H GLU B 71 40.383 11.110 144.641 1.00 0.00 H ATOM 1692 N GLU B 72 42.568 8.689 142.673 1.00 49.26 N ATOM 1693 CA GLU B 72 42.230 7.761 141.604 1.00 47.33 C ATOM 1694 C GLU B 72 41.406 6.597 142.135 1.00 49.87 C ATOM 1695 O GLU B 72 41.647 6.107 143.240 1.00 60.25 O ATOM 1696 CB GLU B 72 43.505 7.233 140.943 1.00 51.17 C ATOM 1697 H GLU B 72 43.439 8.518 143.214 1.00 0.00 H ATOM 1698 N ASP B 73 40.436 6.149 141.337 1.00 37.51 N ATOM 1699 CA ASP B 73 39.580 5.022 141.703 1.00 39.41 C ATOM 1700 C ASP B 73 39.839 3.881 140.727 1.00 46.25 C ATOM 1701 O ASP B 73 39.236 3.820 139.653 1.00 41.19 O ATOM 1702 CB ASP B 73 38.103 5.418 141.713 1.00 33.81 C ATOM 1703 CG ASP B 73 37.218 4.348 142.332 1.00 48.24 C ATOM 1704 OD1 ASP B 73 35.988 4.564 142.420 1.00 51.94 O ATOM 1705 OD2 ASP B 73 37.752 3.284 142.718 1.00 49.45 O ATOM 1706 H ASP B 73 40.283 6.618 140.422 1.00 0.00 H ATOM 1707 N LEU B 74 40.708 2.953 141.121 1.00 41.86 N ATOM 1708 CA LEU B 74 41.015 1.817 140.264 1.00 36.78 C ATOM 1709 C LEU B 74 39.863 0.828 140.160 1.00 35.87 C ATOM 1710 O LEU B 74 39.875 -0.014 139.256 1.00 34.97 O ATOM 1711 CB LEU B 74 42.250 1.091 140.786 1.00 40.72 C ATOM 1712 CG LEU B 74 43.509 1.946 140.860 1.00 42.79 C ATOM 1713 CD1 LEU B 74 44.625 1.142 141.488 1.00 44.26 C ATOM 1714 CD2 LEU B 74 43.888 2.431 139.465 1.00 39.98 C ATOM 1715 H LEU B 74 41.171 3.040 142.048 1.00 0.00 H ATOM 1716 N LYS B 75 38.881 0.890 141.068 1.00 36.95 N ATOM 1717 CA LYS B 75 37.851 -0.142 141.079 1.00 31.80 C ATOM 1718 C LYS B 75 37.043 -0.143 139.787 1.00 29.66 C ATOM 1719 O LYS B 75 36.525 -1.191 139.385 1.00 31.22 O ATOM 1720 CB LYS B 75 36.928 0.017 142.292 1.00 35.10 C ATOM 1721 CG LYS B 75 37.647 -0.083 143.636 1.00 37.95 C ATOM 1722 CD LYS B 75 36.681 0.003 144.832 1.00 42.57 C ATOM 1723 CE LYS B 75 35.780 1.223 144.729 1.00 41.13 C ATOM 1724 NZ LYS B 75 36.506 2.474 145.098 1.00 39.60 N ATOM 1725 HZ1 LYS B 75 36.848 2.399 146.077 1.00 0.00 H ATOM 1726 HZ2 LYS B 75 37.314 2.606 144.457 1.00 0.00 H ATOM 1727 HZ3 LYS B 75 35.860 3.285 145.016 1.00 0.00 H ATOM 1728 H LYS B 75 38.853 1.667 141.759 1.00 0.00 H ATOM 1729 N VAL B 76 36.938 1.007 139.116 1.00 29.32 N ATOM 1730 CA VAL B 76 36.151 1.124 137.892 1.00 27.61 C ATOM 1731 C VAL B 76 37.006 1.030 136.635 1.00 29.00 C ATOM 1732 O VAL B 76 36.471 1.128 135.521 1.00 29.26 O ATOM 1733 CB VAL B 76 35.354 2.441 137.889 1.00 32.03 C ATOM 1734 CG1 VAL B 76 34.354 2.461 139.049 1.00 35.58 C ATOM 1735 CG2 VAL B 76 36.315 3.610 137.997 1.00 28.96 C ATOM 1736 H VAL B 76 37.433 1.847 139.477 1.00 0.00 H ATOM 1737 N GLN B 77 38.312 0.827 136.777 1.00 28.94 N ATOM 1738 CA GLN B 77 39.205 0.791 135.629 1.00 25.47 C ATOM 1739 C GLN B 77 38.955 -0.460 134.793 1.00 24.38 C ATOM 1740 O GLN B 77 38.794 -1.561 135.324 1.00 28.13 O ATOM 1741 CB GLN B 77 40.653 0.838 136.113 1.00 26.63 C ATOM 1742 CG GLN B 77 41.705 0.684 135.040 1.00 29.00 C ATOM 1743 CD GLN B 77 43.098 0.806 135.622 1.00 30.84 C ATOM 1744 OE1 GLN B 77 43.508 -0.005 136.444 1.00 32.26 O ATOM 1745 NE2 GLN B 77 43.806 1.860 135.243 1.00 31.19 N ATOM 1746 HE22 GLN B 77 43.418 2.523 134.542 1.00 0.00 H ATOM 1747 HE21 GLN B 77 44.750 2.025 135.647 1.00 0.00 H ATOM 1748 H GLN B 77 38.704 0.691 137.730 1.00 0.00 H ATOM 1749 N HIS B 78 38.931 -0.287 133.473 1.00 27.53 N ATOM 1750 CA HIS B 78 38.791 -1.417 132.560 1.00 28.85 C ATOM 1751 C HIS B 78 40.006 -2.341 132.651 1.00 24.72 C ATOM 1752 O HIS B 78 41.146 -1.885 132.746 1.00 27.31 O ATOM 1753 CB HIS B 78 38.623 -0.894 131.127 1.00 30.29 C ATOM 1754 CG HIS B 78 38.208 -1.938 130.139 1.00 36.26 C ATOM 1755 ND1 HIS B 78 39.101 -2.818 129.564 1.00 34.65 N ATOM 1756 CD2 HIS B 78 36.996 -2.229 129.609 1.00 37.28 C ATOM 1757 CE1 HIS B 78 38.454 -3.614 128.730 1.00 37.74 C ATOM 1758 NE2 HIS B 78 37.176 -3.278 128.739 1.00 37.62 N ATOM 1759 H HIS B 78 39.014 0.674 133.084 1.00 0.00 H ATOM 1760 N SER B 79 39.757 -3.654 132.608 1.00 32.12 N ATOM 1761 CA SER B 79 40.837 -4.610 132.846 1.00 32.61 C ATOM 1762 C SER B 79 41.947 -4.502 131.803 1.00 30.68 C ATOM 1763 O SER B 79 43.108 -4.796 132.107 1.00 35.82 O ATOM 1764 CB SER B 79 40.300 -6.043 132.886 1.00 36.01 C ATOM 1765 OG SER B 79 39.736 -6.430 131.648 1.00 41.56 O ATOM 1766 HG SER B 79 39.402 -7.359 131.715 1.00 0.00 H ATOM 1767 H SER B 79 38.796 -3.995 132.405 1.00 0.00 H ATOM 1768 N SER B 80 41.626 -4.081 130.579 1.00 35.21 N ATOM 1769 CA SER B 80 42.670 -4.015 129.559 1.00 39.38 C ATOM 1770 C SER B 80 43.686 -2.908 129.819 1.00 41.64 C ATOM 1771 O SER B 80 44.718 -2.866 129.138 1.00 39.36 O ATOM 1772 CB SER B 80 42.046 -3.836 128.173 1.00 46.94 C ATOM 1773 OG SER B 80 41.537 -2.526 128.020 1.00 44.94 O ATOM 1774 HG SER B 80 40.844 -2.360 128.707 1.00 0.00 H ATOM 1775 H SER B 80 40.649 -3.804 130.354 1.00 0.00 H ATOM 1776 N TYR B 81 43.434 -2.023 130.783 1.00 32.63 N ATOM 1777 CA TYR B 81 44.376 -0.966 131.129 1.00 29.70 C ATOM 1778 C TYR B 81 44.970 -1.136 132.523 1.00 34.37 C ATOM 1779 O TYR B 81 45.828 -0.339 132.921 1.00 37.65 O ATOM 1780 CB TYR B 81 43.699 0.404 130.991 1.00 28.11 C ATOM 1781 CG TYR B 81 43.504 0.803 129.538 1.00 29.25 C ATOM 1782 CD1 TYR B 81 44.563 1.281 128.796 1.00 30.14 C ATOM 1783 CD2 TYR B 81 42.258 0.674 128.902 1.00 25.00 C ATOM 1784 CE1 TYR B 81 44.413 1.644 127.468 1.00 31.37 C ATOM 1785 CE2 TYR B 81 42.103 1.036 127.552 1.00 25.28 C ATOM 1786 CZ TYR B 81 43.183 1.514 126.848 1.00 34.78 C ATOM 1787 OH TYR B 81 43.062 1.881 125.519 1.00 31.02 O ATOM 1788 HH TYR B 81 43.938 2.198 125.184 1.00 0.00 H ATOM 1789 H TYR B 81 42.537 -2.089 131.305 1.00 0.00 H ATOM 1790 N ARG B 82 44.565 -2.170 133.256 1.00 36.87 N ATOM 1791 CA ARG B 82 45.089 -2.425 134.594 1.00 32.78 C ATOM 1792 C ARG B 82 46.614 -2.506 134.593 1.00 39.07 C ATOM 1793 O ARG B 82 47.214 -3.193 133.763 1.00 37.50 O ATOM 1794 CB ARG B 82 44.496 -3.726 135.129 1.00 42.81 C ATOM 1795 CG ARG B 82 45.085 -4.200 136.430 1.00 53.60 C ATOM 1796 CD ARG B 82 44.771 -5.668 136.602 1.00 71.40 C ATOM 1797 NE ARG B 82 43.374 -5.925 136.266 1.00 85.69 N ATOM 1798 CZ ARG B 82 42.351 -5.768 137.104 1.00 93.10 C ATOM 1799 NH1 ARG B 82 42.564 -5.336 138.339 1.00 97.33 N ATOM 1800 NH2 ARG B 82 41.109 -6.027 136.691 1.00 91.07 N ATOM 1801 HE ARG B 82 43.162 -6.255 135.303 1.00 0.00 H ATOM 1802 HH12 ARG B 82 41.764 -5.214 138.992 1.00 0.00 H ATOM 1803 HH11 ARG B 82 43.531 -5.119 138.655 1.00 0.00 H ATOM 1804 HH22 ARG B 82 40.308 -5.905 137.343 1.00 0.00 H ATOM 1805 HH21 ARG B 82 40.942 -6.351 135.717 1.00 0.00 H ATOM 1806 H ARG B 82 43.852 -2.817 132.863 1.00 0.00 H ATOM 1807 N GLN B 83 47.232 -1.787 135.527 1.00 33.93 N ATOM 1808 CA GLN B 83 48.678 -1.724 135.724 1.00 35.62 C ATOM 1809 C GLN B 83 49.438 -1.202 134.505 1.00 36.76 C ATOM 1810 O GLN B 83 50.676 -1.275 134.476 1.00 40.60 O ATOM 1811 CB GLN B 83 49.241 -3.089 136.147 1.00 43.78 C ATOM 1812 CG GLN B 83 48.953 -3.459 137.595 1.00 60.20 C ATOM 1813 CD GLN B 83 49.405 -4.869 137.936 1.00 79.32 C ATOM 1814 OE1 GLN B 83 48.860 -5.504 138.839 1.00 88.59 O ATOM 1815 NE2 GLN B 83 50.400 -5.366 137.209 1.00 79.83 N ATOM 1816 HE22 GLN B 83 50.830 -4.793 136.456 1.00 0.00 H ATOM 1817 HE21 GLN B 83 50.748 -6.328 137.393 1.00 0.00 H ATOM 1818 H GLN B 83 46.637 -1.224 136.168 1.00 0.00 H ATOM 1819 N ARG B 84 48.750 -0.671 133.496 1.00 30.13 N ATOM 1820 CA ARG B 84 49.421 -0.107 132.330 1.00 35.90 C ATOM 1821 C ARG B 84 49.163 1.381 132.147 1.00 26.20 C ATOM 1822 O ARG B 84 49.736 1.987 131.237 1.00 33.30 O ATOM 1823 CB ARG B 84 48.991 -0.829 131.043 1.00 35.60 C ATOM 1824 CG ARG B 84 49.062 -2.337 131.084 1.00 42.99 C ATOM 1825 CD ARG B 84 48.371 -2.932 129.856 1.00 51.31 C ATOM 1826 NE ARG B 84 48.884 -2.277 128.668 1.00 44.98 N ATOM 1827 CZ ARG B 84 48.155 -1.691 127.723 1.00 31.48 C ATOM 1828 NH1 ARG B 84 48.794 -1.102 126.725 1.00 27.64 N ATOM 1829 NH2 ARG B 84 46.822 -1.697 127.738 1.00 32.86 N ATOM 1830 HE ARG B 84 49.917 -2.265 128.544 1.00 0.00 H ATOM 1831 HH12 ARG B 84 48.257 -0.633 125.968 1.00 0.00 H ATOM 1832 HH11 ARG B 84 49.834 -1.108 126.698 1.00 0.00 H ATOM 1833 HH22 ARG B 84 46.291 -1.226 126.978 1.00 0.00 H ATOM 1834 HH21 ARG B 84 46.313 -2.173 128.510 1.00 0.00 H ATOM 1835 H ARG B 84 47.711 -0.658 133.540 1.00 0.00 H ATOM 1836 N ALA B 85 48.325 1.990 132.965 1.00 26.38 N ATOM 1837 CA ALA B 85 47.906 3.363 132.734 1.00 24.35 C ATOM 1838 C ALA B 85 48.150 4.188 133.985 1.00 29.45 C ATOM 1839 O ALA B 85 47.866 3.738 135.098 1.00 29.58 O ATOM 1840 CB ALA B 85 46.420 3.423 132.344 1.00 24.97 C ATOM 1841 H ALA B 85 47.957 1.477 133.792 1.00 0.00 H ATOM 1842 N ARG B 86 48.683 5.393 133.808 1.00 26.42 N ATOM 1843 CA ARG B 86 48.816 6.268 134.958 1.00 32.88 C ATOM 1844 C ARG B 86 48.716 7.729 134.547 1.00 33.11 C ATOM 1845 O ARG B 86 49.001 8.111 133.413 1.00 26.41 O ATOM 1846 CB ARG B 86 50.120 6.002 135.733 1.00 33.61 C ATOM 1847 CG ARG B 86 51.406 6.264 135.000 1.00 35.69 C ATOM 1848 CD ARG B 86 52.587 5.981 135.931 1.00 45.72 C ATOM 1849 NE ARG B 86 52.468 4.659 136.546 1.00 61.06 N ATOM 1850 CZ ARG B 86 53.173 4.250 137.597 1.00 75.73 C ATOM 1851 NH1 ARG B 86 52.992 3.029 138.085 1.00 75.45 N ATOM 1852 NH2 ARG B 86 54.057 5.060 138.166 1.00 80.23 N ATOM 1853 HE ARG B 86 51.785 3.993 136.133 1.00 0.00 H ATOM 1854 HH12 ARG B 86 53.544 2.710 138.907 1.00 0.00 H ATOM 1855 HH11 ARG B 86 52.298 2.391 137.646 1.00 0.00 H ATOM 1856 HH22 ARG B 86 54.606 4.736 138.988 1.00 0.00 H ATOM 1857 HH21 ARG B 86 54.201 6.019 137.790 1.00 0.00 H ATOM 1858 H ARG B 86 48.998 5.702 132.866 1.00 0.00 H ATOM 1859 N LEU B 87 48.287 8.538 135.497 1.00 27.58 N ATOM 1860 CA LEU B 87 48.225 9.980 135.346 1.00 29.46 C ATOM 1861 C LEU B 87 49.414 10.566 136.091 1.00 38.93 C ATOM 1862 O LEU B 87 49.666 10.188 137.237 1.00 48.50 O ATOM 1863 CB LEU B 87 46.914 10.500 135.932 1.00 27.98 C ATOM 1864 CG LEU B 87 46.371 11.907 135.735 1.00 44.04 C ATOM 1865 CD1 LEU B 87 46.418 12.357 134.275 1.00 45.88 C ATOM 1866 CD2 LEU B 87 44.968 11.963 136.295 1.00 43.76 C ATOM 1867 H LEU B 87 47.978 8.122 136.399 1.00 0.00 H ATOM 1868 N LEU B 88 50.166 11.451 135.437 1.00 45.92 N ATOM 1869 CA LEU B 88 51.308 12.093 136.091 1.00 53.77 C ATOM 1870 C LEU B 88 50.773 13.177 137.016 1.00 54.88 C ATOM 1871 O LEU B 88 50.442 14.279 136.580 1.00 65.45 O ATOM 1872 CB LEU B 88 52.305 12.628 135.065 1.00 58.65 C ATOM 1873 CG LEU B 88 52.586 11.719 133.855 1.00 63.32 C ATOM 1874 CD1 LEU B 88 53.262 12.467 132.699 1.00 58.85 C ATOM 1875 CD2 LEU B 88 53.398 10.484 134.242 1.00 67.48 C ATOM 1876 H LEU B 88 49.939 11.688 134.450 1.00 0.00 H ATOM 1877 N LYS B 89 50.704 12.852 138.310 1.00 54.87 N ATOM 1878 CA LYS B 89 49.864 13.597 139.243 1.00 58.60 C ATOM 1879 C LYS B 89 50.398 15.005 139.507 1.00 72.51 C ATOM 1880 O LYS B 89 49.617 15.957 139.617 1.00 75.49 O ATOM 1881 CB LYS B 89 49.737 12.810 140.550 1.00 62.80 C ATOM 1882 CG LYS B 89 48.880 13.477 141.617 1.00 62.37 C ATOM 1883 H LYS B 89 51.263 12.048 138.661 1.00 0.00 H ATOM 1884 N ASP B 90 51.714 15.163 139.632 1.00 78.62 N ATOM 1885 CA ASP B 90 52.261 16.468 139.987 1.00 79.21 C ATOM 1886 C ASP B 90 52.402 17.404 138.795 1.00 72.67 C ATOM 1887 O ASP B 90 52.794 18.561 138.983 1.00 80.72 O ATOM 1888 CB ASP B 90 53.612 16.305 140.685 1.00 86.41 C ATOM 1889 CG ASP B 90 54.512 15.321 139.980 1.00 97.50 C ATOM 1890 OD1 ASP B 90 54.994 15.643 138.874 1.00103.25 O ATOM 1891 OD2 ASP B 90 54.731 14.222 140.530 1.00102.27 O ATOM 1892 H ASP B 90 52.352 14.356 139.477 1.00 0.00 H ATOM 1893 N GLN B 91 52.106 16.944 137.584 1.00 59.14 N ATOM 1894 CA GLN B 91 51.989 17.851 136.453 1.00 54.44 C ATOM 1895 C GLN B 91 50.619 18.507 136.387 1.00 53.31 C ATOM 1896 O GLN B 91 50.404 19.376 135.533 1.00 51.06 O ATOM 1897 CB GLN B 91 52.271 17.108 135.147 1.00 55.45 C ATOM 1898 H GLN B 91 51.956 15.924 137.443 1.00 0.00 H ATOM 1899 N LEU B 92 49.694 18.112 137.265 1.00 53.80 N ATOM 1900 CA LEU B 92 48.353 18.681 137.233 1.00 48.50 C ATOM 1901 C LEU B 92 48.361 20.145 137.645 1.00 50.58 C ATOM 1902 O LEU B 92 47.539 20.927 137.154 1.00 47.66 O ATOM 1903 CB LEU B 92 47.418 17.879 138.138 1.00 42.60 C ATOM 1904 CG LEU B 92 46.971 16.510 137.623 1.00 40.44 C ATOM 1905 CD1 LEU B 92 46.347 15.704 138.745 1.00 43.95 C ATOM 1906 CD2 LEU B 92 46.002 16.641 136.441 1.00 39.73 C ATOM 1907 H LEU B 92 49.932 17.393 137.977 1.00 0.00 H ATOM 1908 N SER B 93 49.279 20.530 138.541 1.00 49.07 N ATOM 1909 CA SER B 93 49.385 21.921 138.962 1.00 58.19 C ATOM 1910 C SER B 93 49.821 22.834 137.828 1.00 59.55 C ATOM 1911 O SER B 93 49.603 24.046 137.906 1.00 62.95 O ATOM 1912 CB SER B 93 50.364 22.050 140.133 1.00 68.03 C ATOM 1913 OG SER B 93 49.869 21.398 141.288 1.00 75.64 O ATOM 1914 HG SER B 93 50.521 21.498 142.027 1.00 0.00 H ATOM 1915 H SER B 93 49.928 19.824 138.943 1.00 0.00 H ATOM 1916 N LEU B 94 50.445 22.287 136.789 1.00 52.58 N ATOM 1917 CA LEU B 94 50.805 23.054 135.607 1.00 52.88 C ATOM 1918 C LEU B 94 49.745 22.967 134.516 1.00 53.15 C ATOM 1919 O LEU B 94 49.995 23.401 133.387 1.00 53.69 O ATOM 1920 CB LEU B 94 52.156 22.584 135.063 1.00 58.15 C ATOM 1921 CG LEU B 94 53.386 22.887 135.932 1.00 61.46 C ATOM 1922 CD1 LEU B 94 54.543 21.995 135.530 1.00 61.99 C ATOM 1923 CD2 LEU B 94 53.791 24.357 135.853 1.00 65.17 C ATOM 1924 H LEU B 94 50.684 21.275 136.823 1.00 0.00 H ATOM 1925 N GLY B 95 48.580 22.407 134.827 1.00 41.41 N ATOM 1926 CA GLY B 95 47.533 22.254 133.835 1.00 37.84 C ATOM 1927 C GLY B 95 47.765 21.125 132.858 1.00 46.63 C ATOM 1928 O GLY B 95 47.289 21.187 131.719 1.00 42.62 O ATOM 1929 H GLY B 95 48.417 22.073 135.798 1.00 0.00 H ATOM 1930 N ASN B 96 48.482 20.085 133.273 1.00 40.52 N ATOM 1931 CA ASN B 96 48.885 18.989 132.397 1.00 40.81 C ATOM 1932 C ASN B 96 48.192 17.717 132.871 1.00 34.14 C ATOM 1933 O ASN B 96 48.460 17.238 133.978 1.00 38.29 O ATOM 1934 CB ASN B 96 50.413 18.860 132.412 1.00 49.32 C ATOM 1935 CG ASN B 96 50.925 17.612 131.717 1.00 55.35 C ATOM 1936 OD1 ASN B 96 50.186 16.915 131.024 1.00 54.59 O ATOM 1937 ND2 ASN B 96 52.215 17.332 131.894 1.00 53.41 N ATOM 1938 HD22 ASN B 96 52.804 17.949 132.489 1.00 0.00 H ATOM 1939 HD21 ASN B 96 52.633 16.496 131.437 1.00 0.00 H ATOM 1940 H ASN B 96 48.770 20.051 134.272 1.00 0.00 H ATOM 1941 N ALA B 97 47.290 17.176 132.043 1.00 30.98 N ATOM 1942 CA ALA B 97 46.579 15.944 132.376 1.00 26.89 C ATOM 1943 C ALA B 97 46.998 14.769 131.501 1.00 35.07 C ATOM 1944 O ALA B 97 46.150 14.039 130.979 1.00 42.37 O ATOM 1945 CB ALA B 97 45.069 16.146 132.250 1.00 27.82 C ATOM 1946 H ALA B 97 47.090 17.646 131.137 1.00 0.00 H ATOM 1947 N ALA B 98 48.295 14.545 131.393 1.00 28.76 N ATOM 1948 CA ALA B 98 48.838 13.568 130.461 1.00 27.98 C ATOM 1949 C ALA B 98 48.595 12.150 130.947 1.00 33.93 C ATOM 1950 O ALA B 98 48.753 11.845 132.130 1.00 30.57 O ATOM 1951 CB ALA B 98 50.334 13.802 130.281 1.00 33.53 C ATOM 1952 H ALA B 98 48.950 15.085 131.994 1.00 0.00 H ATOM 1953 N LEU B 99 48.212 11.280 130.014 1.00 23.49 N ATOM 1954 CA LEU B 99 48.001 9.863 130.273 1.00 23.04 C ATOM 1955 C LEU B 99 49.206 9.077 129.768 1.00 23.99 C ATOM 1956 O LEU B 99 49.554 9.184 128.591 1.00 23.04 O ATOM 1957 CB LEU B 99 46.737 9.396 129.553 1.00 21.85 C ATOM 1958 CG LEU B 99 46.569 7.888 129.488 1.00 23.03 C ATOM 1959 CD1 LEU B 99 46.343 7.331 130.888 1.00 25.62 C ATOM 1960 CD2 LEU B 99 45.415 7.543 128.559 1.00 24.79 C ATOM 1961 H LEU B 99 48.055 11.632 129.048 1.00 0.00 H ATOM 1962 N GLN B 100 49.821 8.269 130.631 1.00 22.84 N ATOM 1963 CA GLN B 100 50.920 7.401 130.218 1.00 22.11 C ATOM 1964 C GLN B 100 50.420 5.967 130.132 1.00 25.46 C ATOM 1965 O GLN B 100 49.941 5.404 131.124 1.00 27.93 O ATOM 1966 CB GLN B 100 52.125 7.475 131.165 1.00 26.69 C ATOM 1967 CG GLN B 100 53.323 6.677 130.623 1.00 41.69 C ATOM 1968 CD GLN B 100 54.417 6.408 131.655 1.00 61.41 C ATOM 1969 OE1 GLN B 100 54.141 6.106 132.821 1.00 55.74 O ATOM 1970 NE2 GLN B 100 55.670 6.497 131.216 1.00 71.24 N ATOM 1971 HE22 GLN B 100 55.857 6.754 130.226 1.00 0.00 H ATOM 1972 HE21 GLN B 100 56.462 6.309 131.863 1.00 0.00 H ATOM 1973 H GLN B 100 49.510 8.256 131.623 1.00 0.00 H ATOM 1974 N ILE B 101 50.574 5.363 128.960 1.00 24.55 N ATOM 1975 CA ILE B 101 50.283 3.953 128.742 1.00 19.97 C ATOM 1976 C ILE B 101 51.603 3.236 128.511 1.00 22.70 C ATOM 1977 O ILE B 101 52.373 3.633 127.633 1.00 26.86 O ATOM 1978 CB ILE B 101 49.356 3.758 127.530 1.00 23.20 C ATOM 1979 CG1 ILE B 101 48.053 4.531 127.736 1.00 26.38 C ATOM 1980 CG2 ILE B 101 49.095 2.269 127.309 1.00 26.25 C ATOM 1981 CD1 ILE B 101 47.280 4.047 128.903 1.00 28.01 C ATOM 1982 H ILE B 101 50.920 5.925 128.157 1.00 0.00 H ATOM 1983 N THR B 102 51.866 2.188 129.285 1.00 22.52 N ATOM 1984 CA THR B 102 53.090 1.415 129.101 1.00 24.53 C ATOM 1985 C THR B 102 52.779 0.163 128.294 1.00 27.39 C ATOM 1986 O THR B 102 51.698 -0.420 128.418 1.00 28.47 O ATOM 1987 CB THR B 102 53.736 1.044 130.435 1.00 34.53 C ATOM 1988 OG1 THR B 102 52.840 0.226 131.186 1.00 42.71 O ATOM 1989 CG2 THR B 102 54.068 2.291 131.232 1.00 27.56 C ATOM 1990 HG1 THR B 102 52.640 -0.598 130.675 1.00 0.00 H ATOM 1991 H THR B 102 51.193 1.916 130.029 1.00 0.00 H ATOM 1992 N ASP B 103 53.713 -0.207 127.419 1.00 25.84 N ATOM 1993 CA ASP B 103 53.653 -1.455 126.662 1.00 26.84 C ATOM 1994 C ASP B 103 52.407 -1.490 125.773 1.00 24.82 C ATOM 1995 O ASP B 103 51.453 -2.241 125.992 1.00 23.71 O ATOM 1996 CB ASP B 103 53.718 -2.654 127.612 1.00 28.40 C ATOM 1997 CG ASP B 103 53.994 -3.951 126.894 1.00 43.26 C ATOM 1998 OD1 ASP B 103 53.920 -5.009 127.555 1.00 48.58 O ATOM 1999 OD2 ASP B 103 54.276 -3.915 125.677 1.00 39.92 O ATOM 2000 H ASP B 103 54.525 0.424 127.267 1.00 0.00 H ATOM 2001 N VAL B 104 52.453 -0.639 124.745 1.00 20.22 N ATOM 2002 CA VAL B 104 51.299 -0.447 123.879 1.00 22.01 C ATOM 2003 C VAL B 104 50.936 -1.742 123.160 1.00 20.70 C ATOM 2004 O VAL B 104 51.796 -2.464 122.638 1.00 24.25 O ATOM 2005 CB VAL B 104 51.572 0.705 122.902 1.00 23.94 C ATOM 2006 CG1 VAL B 104 50.545 0.698 121.782 1.00 22.74 C ATOM 2007 CG2 VAL B 104 51.518 2.039 123.645 1.00 22.54 C ATOM 2008 H VAL B 104 53.326 -0.105 124.560 1.00 0.00 H ATOM 2009 N LYS B 105 49.640 -2.034 123.132 1.00 20.86 N ATOM 2010 CA LYS B 105 49.059 -3.211 122.516 1.00 23.14 C ATOM 2011 C LYS B 105 48.206 -2.796 121.318 1.00 23.41 C ATOM 2012 O LYS B 105 47.828 -1.631 121.176 1.00 22.99 O ATOM 2013 CB LYS B 105 48.197 -3.967 123.541 1.00 28.51 C ATOM 2014 CG LYS B 105 48.976 -4.607 124.716 1.00 26.68 C ATOM 2015 CD LYS B 105 49.936 -5.681 124.199 1.00 44.69 C ATOM 2016 CE LYS B 105 50.745 -6.349 125.319 1.00 48.35 C ATOM 2017 NZ LYS B 105 51.802 -7.265 124.767 1.00 38.53 N ATOM 2018 HZ1 LYS B 105 51.351 -8.010 124.198 1.00 0.00 H ATOM 2019 HZ2 LYS B 105 52.455 -6.719 124.170 1.00 0.00 H ATOM 2020 HZ3 LYS B 105 52.328 -7.698 125.552 1.00 0.00 H ATOM 2021 H LYS B 105 48.989 -1.364 123.589 1.00 0.00 H ATOM 2022 N LEU B 106 47.909 -3.759 120.431 1.00 26.42 N ATOM 2023 CA LEU B 106 47.131 -3.407 119.246 1.00 24.57 C ATOM 2024 C LEU B 106 45.740 -2.923 119.627 1.00 22.50 C ATOM 2025 O LEU B 106 45.180 -2.058 118.945 1.00 22.94 O ATOM 2026 CB LEU B 106 47.059 -4.585 118.266 1.00 30.74 C ATOM 2027 CG LEU B 106 48.266 -4.665 117.296 1.00 37.19 C ATOM 2028 CD1 LEU B 106 48.272 -5.977 116.547 1.00 35.41 C ATOM 2029 CD2 LEU B 106 48.291 -3.492 116.281 1.00 33.90 C ATOM 2030 H LEU B 106 48.227 -4.737 120.585 1.00 0.00 H ATOM 2031 N GLN B 107 45.189 -3.416 120.740 1.00 24.77 N ATOM 2032 CA GLN B 107 43.874 -2.948 121.177 1.00 25.20 C ATOM 2033 C GLN B 107 43.891 -1.527 121.719 1.00 20.23 C ATOM 2034 O GLN B 107 42.810 -0.972 121.975 1.00 24.88 O ATOM 2035 CB GLN B 107 43.265 -3.879 122.233 1.00 36.50 C ATOM 2036 CG GLN B 107 43.661 -5.332 122.122 1.00 54.31 C ATOM 2037 CD GLN B 107 45.085 -5.586 122.578 1.00 59.08 C ATOM 2038 OE1 GLN B 107 45.486 -5.116 123.636 1.00 67.76 O ATOM 2039 NE2 GLN B 107 45.861 -6.295 121.766 1.00 47.88 N ATOM 2040 HE22 GLN B 107 45.475 -6.674 120.878 1.00 0.00 H ATOM 2041 HE21 GLN B 107 46.854 -6.471 122.019 1.00 0.00 H ATOM 2042 H GLN B 107 45.696 -4.134 121.296 1.00 0.00 H ATOM 2043 N ASP B 108 45.065 -0.921 121.874 1.00 20.26 N ATOM 2044 CA ASP B 108 45.160 0.466 122.299 1.00 17.92 C ATOM 2045 C ASP B 108 44.903 1.445 121.172 1.00 19.17 C ATOM 2046 O ASP B 108 44.785 2.647 121.438 1.00 23.29 O ATOM 2047 CB ASP B 108 46.545 0.751 122.878 1.00 18.36 C ATOM 2048 CG ASP B 108 46.773 0.064 124.204 1.00 28.17 C ATOM 2049 OD1 ASP B 108 45.783 -0.172 124.931 1.00 22.62 O ATOM 2050 OD2 ASP B 108 47.939 -0.204 124.537 1.00 26.91 O ATOM 2051 H ASP B 108 45.938 -1.454 121.686 1.00 0.00 H ATOM 2052 N ALA B 109 44.812 0.968 119.927 1.00 19.09 N ATOM 2053 CA ALA B 109 44.479 1.837 118.810 1.00 20.15 C ATOM 2054 C ALA B 109 43.017 2.242 118.898 1.00 22.29 C ATOM 2055 O ALA B 109 42.154 1.386 119.092 1.00 24.11 O ATOM 2056 CB ALA B 109 44.715 1.118 117.487 1.00 21.62 C ATOM 2057 H ALA B 109 44.982 -0.043 119.754 1.00 0.00 H ATOM 2058 N GLY B 110 42.736 3.524 118.728 1.00 19.87 N ATOM 2059 CA GLY B 110 41.359 3.990 118.734 1.00 18.77 C ATOM 2060 C GLY B 110 41.298 5.448 119.139 1.00 22.64 C ATOM 2061 O GLY B 110 42.313 6.137 119.165 1.00 22.19 O ATOM 2062 H GLY B 110 43.509 4.206 118.589 1.00 0.00 H ATOM 2063 N VAL B 111 40.096 5.898 119.495 1.00 21.66 N ATOM 2064 CA VAL B 111 39.876 7.296 119.849 1.00 20.95 C ATOM 2065 C VAL B 111 39.748 7.420 121.366 1.00 23.07 C ATOM 2066 O VAL B 111 38.837 6.843 121.976 1.00 22.82 O ATOM 2067 CB VAL B 111 38.639 7.871 119.146 1.00 21.86 C ATOM 2068 CG1 VAL B 111 38.411 9.319 119.578 1.00 24.12 C ATOM 2069 CG2 VAL B 111 38.809 7.791 117.638 1.00 22.36 C ATOM 2070 H VAL B 111 39.294 5.236 119.521 1.00 0.00 H ATOM 2071 N TYR B 112 40.626 8.221 121.946 1.00 20.51 N ATOM 2072 CA TYR B 112 40.705 8.518 123.369 1.00 20.59 C ATOM 2073 C TYR B 112 40.025 9.848 123.643 1.00 19.66 C ATOM 2074 O TYR B 112 39.991 10.740 122.793 1.00 20.87 O ATOM 2075 CB TYR B 112 42.177 8.601 123.820 1.00 16.12 C ATOM 2076 CG TYR B 112 42.870 7.264 123.846 1.00 19.38 C ATOM 2077 CD1 TYR B 112 43.235 6.674 125.042 1.00 21.69 C ATOM 2078 CD2 TYR B 112 43.162 6.596 122.656 1.00 21.80 C ATOM 2079 CE1 TYR B 112 43.873 5.455 125.070 1.00 22.91 C ATOM 2080 CE2 TYR B 112 43.762 5.374 122.667 1.00 19.60 C ATOM 2081 CZ TYR B 112 44.130 4.804 123.874 1.00 23.41 C ATOM 2082 OH TYR B 112 44.774 3.581 123.884 1.00 23.17 O ATOM 2083 HH TYR B 112 44.193 2.900 123.460 1.00 0.00 H ATOM 2084 H TYR B 112 41.325 8.681 121.328 1.00 0.00 H ATOM 2085 N ARG B 113 39.466 9.993 124.841 1.00 19.99 N ATOM 2086 CA ARG B 113 38.881 11.258 125.252 1.00 18.13 C ATOM 2087 C ARG B 113 39.458 11.643 126.600 1.00 21.25 C ATOM 2088 O ARG B 113 39.470 10.826 127.525 1.00 22.50 O ATOM 2089 CB ARG B 113 37.345 11.179 125.337 1.00 22.88 C ATOM 2090 CG ARG B 113 36.656 11.446 124.018 1.00 26.66 C ATOM 2091 CD ARG B 113 35.185 11.014 124.016 1.00 24.43 C ATOM 2092 NE ARG B 113 34.789 10.745 122.638 1.00 23.84 N ATOM 2093 CZ ARG B 113 35.074 9.614 122.001 1.00 31.65 C ATOM 2094 NH1 ARG B 113 35.725 8.646 122.630 1.00 41.56 N ATOM 2095 NH2 ARG B 113 34.721 9.453 120.735 1.00 29.96 N ATOM 2096 HE ARG B 113 34.255 11.477 122.127 1.00 0.00 H ATOM 2097 HH12 ARG B 113 35.948 7.761 122.132 1.00 0.00 H ATOM 2098 HH11 ARG B 113 36.013 8.772 123.622 1.00 0.00 H ATOM 2099 HH22 ARG B 113 34.946 8.566 120.241 1.00 0.00 H ATOM 2100 HH21 ARG B 113 34.218 10.214 120.235 1.00 0.00 H ATOM 2101 H ARG B 113 39.447 9.186 125.496 1.00 0.00 H ATOM 2102 N CYS B 114 39.922 12.893 126.695 1.00 20.67 N ATOM 2103 CA CYS B 114 40.391 13.511 127.933 1.00 26.11 C ATOM 2104 C CYS B 114 39.288 14.452 128.412 1.00 25.69 C ATOM 2105 O CYS B 114 39.062 15.500 127.795 1.00 23.05 O ATOM 2106 CB CYS B 114 41.694 14.268 127.671 1.00 26.43 C ATOM 2107 SG CYS B 114 42.468 15.113 129.086 1.00 20.62 S ATOM 2108 H CYS B 114 39.951 13.465 125.827 1.00 0.00 H ATOM 2109 N MET B 115 38.587 14.076 129.492 1.00 20.36 N ATOM 2110 CA MET B 115 37.465 14.846 130.005 1.00 22.42 C ATOM 2111 C MET B 115 37.891 15.492 131.310 1.00 27.04 C ATOM 2112 O MET B 115 38.385 14.804 132.208 1.00 27.25 O ATOM 2113 CB MET B 115 36.247 13.959 130.240 1.00 29.54 C ATOM 2114 CG MET B 115 36.042 12.871 129.207 1.00 32.75 C ATOM 2115 SD MET B 115 34.281 12.638 129.105 1.00 41.77 S ATOM 2116 CE MET B 115 33.832 11.323 130.151 1.00 51.39 C ATOM 2117 H MET B 115 38.857 13.199 129.982 1.00 0.00 H ATOM 2118 N ILE B 116 37.704 16.803 131.421 1.00 21.97 N ATOM 2119 CA ILE B 116 38.167 17.532 132.591 1.00 23.36 C ATOM 2120 C ILE B 116 37.071 18.459 133.083 1.00 25.96 C ATOM 2121 O ILE B 116 36.463 19.185 132.292 1.00 29.93 O ATOM 2122 CB ILE B 116 39.440 18.340 132.282 1.00 24.22 C ATOM 2123 CG1 ILE B 116 40.523 17.394 131.765 1.00 26.61 C ATOM 2124 CG2 ILE B 116 39.869 19.126 133.523 1.00 27.29 C ATOM 2125 CD1 ILE B 116 41.893 17.987 131.743 1.00 38.45 C ATOM 2126 H ILE B 116 37.218 17.316 130.658 1.00 0.00 H ATOM 2127 N SER B 117 36.837 18.442 134.395 1.00 26.97 N ATOM 2128 CA SER B 117 36.021 19.428 135.083 1.00 29.60 C ATOM 2129 C SER B 117 36.897 20.235 136.031 1.00 37.25 C ATOM 2130 O SER B 117 37.599 19.659 136.868 1.00 35.77 O ATOM 2131 CB SER B 117 34.901 18.745 135.863 1.00 39.07 C ATOM 2132 OG SER B 117 34.090 19.711 136.480 1.00 42.21 O ATOM 2133 HG SER B 117 34.638 20.252 137.102 1.00 0.00 H ATOM 2134 H SER B 117 37.263 17.679 134.959 1.00 0.00 H ATOM 2135 N TYR B 118 36.860 21.563 135.893 1.00 32.21 N ATOM 2136 CA TYR B 118 37.623 22.468 136.751 1.00 34.18 C ATOM 2137 C TYR B 118 37.122 23.899 136.577 1.00 42.16 C ATOM 2138 O TYR B 118 37.649 24.648 135.749 1.00 40.13 O ATOM 2139 CB TYR B 118 39.119 22.367 136.432 1.00 37.74 C ATOM 2140 CG TYR B 118 40.002 23.043 137.446 1.00 39.14 C ATOM 2141 CD1 TYR B 118 39.972 22.661 138.775 1.00 43.21 C ATOM 2142 CD2 TYR B 118 40.873 24.057 137.070 1.00 43.69 C ATOM 2143 CE1 TYR B 118 40.785 23.280 139.715 1.00 49.66 C ATOM 2144 CE2 TYR B 118 41.690 24.684 138.001 1.00 44.17 C ATOM 2145 CZ TYR B 118 41.642 24.288 139.320 1.00 47.77 C ATOM 2146 OH TYR B 118 42.450 24.905 140.250 1.00 55.33 O ATOM 2147 HH TYR B 118 42.238 25.872 140.280 1.00 0.00 H ATOM 2148 H TYR B 118 36.264 21.970 135.144 1.00 0.00 H ATOM 2149 N GLY B 119 36.168 24.266 137.438 1.00 46.22 N ATOM 2150 CA GLY B 119 35.281 25.393 137.258 1.00 46.34 C ATOM 2151 C GLY B 119 34.256 25.018 136.213 1.00 46.17 C ATOM 2152 O GLY B 119 33.049 24.948 136.462 1.00 54.38 O ATOM 2153 H GLY B 119 36.055 23.698 138.302 1.00 0.00 H ATOM 2154 N GLY B 120 34.774 24.696 135.045 1.00 36.79 N ATOM 2155 CA GLY B 120 34.000 24.504 133.843 1.00 31.18 C ATOM 2156 C GLY B 120 34.203 23.064 133.433 1.00 29.94 C ATOM 2157 O GLY B 120 34.813 22.297 134.181 1.00 36.27 O ATOM 2158 H GLY B 120 35.805 24.573 134.986 1.00 0.00 H ATOM 2159 N ALA B 121 33.728 22.688 132.253 1.00 26.04 N ATOM 2160 CA ALA B 121 33.928 21.318 131.803 1.00 24.35 C ATOM 2161 C ALA B 121 34.129 21.293 130.302 1.00 28.66 C ATOM 2162 O ALA B 121 33.449 22.017 129.572 1.00 26.45 O ATOM 2163 CB ALA B 121 32.752 20.393 132.139 1.00 24.84 C ATOM 2164 H ALA B 121 33.216 23.367 131.654 1.00 0.00 H ATOM 2165 N ASP B 122 35.034 20.426 129.848 1.00 23.79 N ATOM 2166 CA ASP B 122 35.281 20.286 128.417 1.00 22.92 C ATOM 2167 C ASP B 122 35.943 18.934 128.190 1.00 25.20 C ATOM 2168 O ASP B 122 36.348 18.254 129.139 1.00 24.01 O ATOM 2169 CB ASP B 122 36.161 21.434 127.906 1.00 24.66 C ATOM 2170 CG ASP B 122 36.223 21.515 126.401 1.00 30.58 C ATOM 2171 OD1 ASP B 122 35.280 21.049 125.738 1.00 32.83 O ATOM 2172 OD2 ASP B 122 37.227 22.049 125.891 1.00 28.55 O ATOM 2173 H ASP B 122 35.570 19.843 130.522 1.00 0.00 H ATOM 2174 N TYR B 123 36.065 18.554 126.918 1.00 24.92 N ATOM 2175 CA TYR B 123 36.826 17.361 126.572 1.00 23.21 C ATOM 2176 C TYR B 123 37.417 17.508 125.178 1.00 21.08 C ATOM 2177 O TYR B 123 36.956 18.311 124.362 1.00 26.88 O ATOM 2178 CB TYR B 123 35.966 16.093 126.661 1.00 21.57 C ATOM 2179 CG TYR B 123 35.079 15.808 125.456 1.00 21.67 C ATOM 2180 CD1 TYR B 123 33.793 16.312 125.384 1.00 27.61 C ATOM 2181 CD2 TYR B 123 35.531 15.000 124.424 1.00 26.15 C ATOM 2182 CE1 TYR B 123 32.984 16.039 124.286 1.00 32.96 C ATOM 2183 CE2 TYR B 123 34.751 14.722 123.336 1.00 30.81 C ATOM 2184 CZ TYR B 123 33.476 15.238 123.266 1.00 38.64 C ATOM 2185 OH TYR B 123 32.726 14.930 122.152 1.00 40.78 O ATOM 2186 HH TYR B 123 31.837 15.359 122.225 1.00 0.00 H ATOM 2187 H TYR B 123 35.613 19.114 126.167 1.00 0.00 H ATOM 2188 N LYS B 124 38.440 16.708 124.909 1.00 20.52 N ATOM 2189 CA LYS B 124 39.007 16.624 123.570 1.00 20.74 C ATOM 2190 C LYS B 124 39.232 15.167 123.202 1.00 22.67 C ATOM 2191 O LYS B 124 39.444 14.311 124.066 1.00 24.05 O ATOM 2192 CB LYS B 124 40.324 17.421 123.435 1.00 23.18 C ATOM 2193 CG LYS B 124 40.108 18.933 123.441 1.00 24.50 C ATOM 2194 CD LYS B 124 39.413 19.352 122.125 1.00 28.73 C ATOM 2195 CE LYS B 124 39.233 20.850 122.012 1.00 30.98 C ATOM 2196 NZ LYS B 124 38.502 21.455 123.146 1.00 35.13 N ATOM 2197 HZ1 LYS B 124 37.553 21.035 123.209 1.00 0.00 H ATOM 2198 HZ2 LYS B 124 39.022 21.273 124.028 1.00 0.00 H ATOM 2199 HZ3 LYS B 124 38.419 22.481 122.996 1.00 0.00 H ATOM 2200 H LYS B 124 38.846 16.128 125.671 1.00 0.00 H ATOM 2201 N ARG B 125 39.182 14.895 121.902 1.00 19.51 N ATOM 2202 CA ARG B 125 39.471 13.579 121.353 1.00 20.17 C ATOM 2203 C ARG B 125 40.902 13.521 120.845 1.00 23.32 C ATOM 2204 O ARG B 125 41.440 14.518 120.357 1.00 21.71 O ATOM 2205 CB ARG B 125 38.529 13.256 120.185 1.00 23.94 C ATOM 2206 CG ARG B 125 37.114 12.944 120.638 1.00 32.18 C ATOM 2207 CD ARG B 125 36.174 12.761 119.452 1.00 45.25 C ATOM 2208 NE ARG B 125 36.218 13.908 118.551 1.00 61.10 N ATOM 2209 CZ ARG B 125 35.393 14.950 118.623 1.00 65.06 C ATOM 2210 NH1 ARG B 125 35.512 15.947 117.757 1.00 73.28 N ATOM 2211 NH2 ARG B 125 34.452 14.998 119.560 1.00 48.87 N ATOM 2212 HE ARG B 125 36.941 13.912 117.804 1.00 0.00 H ATOM 2213 HH12 ARG B 125 34.869 16.762 117.811 1.00 0.00 H ATOM 2214 HH11 ARG B 125 36.249 15.914 117.024 1.00 0.00 H ATOM 2215 HH22 ARG B 125 33.810 15.815 119.611 1.00 0.00 H ATOM 2216 HH21 ARG B 125 34.357 14.219 120.242 1.00 0.00 H ATOM 2217 H ARG B 125 38.924 15.659 121.246 1.00 0.00 H ATOM 2218 N ILE B 126 41.503 12.336 120.955 1.00 21.44 N ATOM 2219 CA ILE B 126 42.837 12.046 120.426 1.00 20.30 C ATOM 2220 C ILE B 126 42.773 10.688 119.752 1.00 21.92 C ATOM 2221 O ILE B 126 42.306 9.718 120.357 1.00 22.62 O ATOM 2222 CB ILE B 126 43.903 12.039 121.538 1.00 19.39 C ATOM 2223 CG1 ILE B 126 43.982 13.427 122.179 1.00 21.73 C ATOM 2224 CG2 ILE B 126 45.274 11.607 120.945 1.00 20.87 C ATOM 2225 CD1 ILE B 126 44.287 13.418 123.627 1.00 48.67 C ATOM 2226 H ILE B 126 40.994 11.573 121.445 1.00 0.00 H ATOM 2227 N THR B 127 43.242 10.610 118.508 1.00 21.58 N ATOM 2228 CA THR B 127 43.260 9.355 117.768 1.00 20.95 C ATOM 2229 C THR B 127 44.637 8.714 117.898 1.00 19.08 C ATOM 2230 O THR B 127 45.650 9.397 117.745 1.00 19.46 O ATOM 2231 CB THR B 127 42.932 9.584 116.295 1.00 23.93 C ATOM 2232 OG1 THR B 127 41.595 10.094 116.176 1.00 24.21 O ATOM 2233 CG2 THR B 127 43.036 8.287 115.521 1.00 28.64 C ATOM 2234 HG1 THR B 127 41.525 10.951 116.667 1.00 0.00 H ATOM 2235 H THR B 127 43.606 11.470 118.051 1.00 0.00 H ATOM 2236 N VAL B 128 44.672 7.425 118.216 1.00 19.22 N ATOM 2237 CA VAL B 128 45.938 6.700 118.349 1.00 21.41 C ATOM 2238 C VAL B 128 45.963 5.584 117.313 1.00 19.63 C ATOM 2239 O VAL B 128 45.023 4.783 117.235 1.00 21.05 O ATOM 2240 CB VAL B 128 46.115 6.141 119.775 1.00 22.00 C ATOM 2241 CG1 VAL B 128 47.281 5.175 119.827 1.00 19.89 C ATOM 2242 CG2 VAL B 128 46.266 7.281 120.793 1.00 20.37 C ATOM 2243 H VAL B 128 43.778 6.918 118.375 1.00 0.00 H ATOM 2244 N LYS B 129 47.026 5.551 116.500 1.00 17.86 N ATOM 2245 CA LYS B 129 47.290 4.462 115.570 1.00 16.66 C ATOM 2246 C LYS B 129 48.445 3.630 116.113 1.00 16.31 C ATOM 2247 O LYS B 129 49.395 4.186 116.674 1.00 18.93 O ATOM 2248 CB LYS B 129 47.672 4.994 114.181 1.00 21.68 C ATOM 2249 CG LYS B 129 46.642 5.917 113.562 1.00 26.77 C ATOM 2250 CD LYS B 129 45.465 5.137 113.016 1.00 32.90 C ATOM 2251 CE LYS B 129 44.438 6.069 112.410 1.00 42.36 C ATOM 2252 NZ LYS B 129 43.087 5.460 112.490 1.00 37.51 N ATOM 2253 HZ1 LYS B 129 43.082 4.560 111.968 1.00 0.00 H ATOM 2254 HZ2 LYS B 129 42.845 5.286 113.486 1.00 0.00 H ATOM 2255 HZ3 LYS B 129 42.390 6.109 112.071 1.00 0.00 H ATOM 2256 H LYS B 129 47.698 6.344 116.534 1.00 0.00 H ATOM 2257 N VAL B 130 48.360 2.306 115.967 1.00 18.73 N ATOM 2258 CA VAL B 130 49.425 1.396 116.415 1.00 17.40 C ATOM 2259 C VAL B 130 49.983 0.618 115.222 1.00 18.25 C ATOM 2260 O VAL B 130 49.261 -0.133 114.554 1.00 20.68 O ATOM 2261 CB VAL B 130 48.928 0.445 117.513 1.00 20.84 C ATOM 2262 CG1 VAL B 130 50.050 -0.523 117.914 1.00 22.30 C ATOM 2263 CG2 VAL B 130 48.458 1.236 118.719 1.00 18.28 C ATOM 2264 H VAL B 130 47.511 1.904 115.521 1.00 0.00 H ATOM 2265 N ASN B 131 51.287 0.783 114.971 1.00 18.35 N ATOM 2266 CA ASN B 131 52.017 -0.062 114.030 1.00 21.04 C ATOM 2267 C ASN B 131 52.490 -1.314 114.761 1.00 22.27 C ATOM 2268 O ASN B 131 52.905 -1.237 115.918 1.00 23.18 O ATOM 2269 CB ASN B 131 53.225 0.689 113.463 1.00 20.30 C ATOM 2270 CG ASN B 131 52.829 1.848 112.566 1.00 19.88 C ATOM 2271 OD1 ASN B 131 51.864 1.762 111.813 1.00 20.07 O ATOM 2272 ND2 ASN B 131 53.578 2.947 112.651 1.00 21.36 N ATOM 2273 HD22 ASN B 131 54.387 2.976 113.304 1.00 0.00 H ATOM 2274 HD21 ASN B 131 53.353 3.776 112.065 1.00 0.00 H ATOM 2275 H ASN B 131 51.800 1.541 115.465 1.00 0.00 H ATOM 2276 N ALA B 132 52.435 -2.462 114.090 1.00 19.01 N ATOM 2277 CA ALA B 132 52.851 -3.701 114.744 1.00 18.86 C ATOM 2278 C ALA B 132 53.374 -4.692 113.721 1.00 21.18 C ATOM 2279 O ALA B 132 52.870 -4.745 112.589 1.00 20.59 O ATOM 2280 CB ALA B 132 51.683 -4.327 115.526 1.00 26.14 C ATOM 2281 H ALA B 132 52.098 -2.477 113.106 1.00 0.00 H ATOM 2282 N PRO B 133 54.365 -5.499 114.087 1.00 22.42 N ATOM 2283 CA PRO B 133 54.909 -6.491 113.154 1.00 25.13 C ATOM 2284 C PRO B 133 53.948 -7.649 112.948 1.00 20.87 C ATOM 2285 O PRO B 133 52.975 -7.851 113.686 1.00 21.28 O ATOM 2286 CB PRO B 133 56.204 -6.962 113.834 1.00 29.05 C ATOM 2287 CG PRO B 133 56.516 -5.912 114.864 1.00 31.08 C ATOM 2288 CD PRO B 133 55.171 -5.395 115.318 1.00 24.58 C ATOM 2289 N TYR B 134 54.246 -8.417 111.900 1.00 20.25 N ATOM 2290 CA TYR B 134 53.416 -9.549 111.513 1.00 22.66 C ATOM 2291 C TYR B 134 53.094 -10.472 112.689 1.00 23.26 C ATOM 2292 O TYR B 134 51.941 -10.871 112.875 1.00 25.94 O ATOM 2293 CB TYR B 134 54.110 -10.323 110.392 1.00 21.17 C ATOM 2294 CG TYR B 134 53.329 -11.512 109.922 1.00 22.61 C ATOM 2295 CD1 TYR B 134 52.191 -11.359 109.129 1.00 24.92 C ATOM 2296 CD2 TYR B 134 53.710 -12.800 110.269 1.00 28.10 C ATOM 2297 CE1 TYR B 134 51.481 -12.439 108.701 1.00 25.56 C ATOM 2298 CE2 TYR B 134 52.992 -13.899 109.840 1.00 34.54 C ATOM 2299 CZ TYR B 134 51.874 -13.714 109.057 1.00 32.24 C ATOM 2300 OH TYR B 134 51.151 -14.804 108.634 1.00 37.58 O ATOM 2301 HH TYR B 134 50.386 -14.498 108.086 1.00 0.00 H ATOM 2302 H TYR B 134 55.097 -8.201 111.342 1.00 0.00 H ATOM 2303 N ALA B 135 54.100 -10.819 113.503 1.00 21.76 N ATOM 2304 CA ALA B 135 53.876 -11.793 114.572 1.00 26.90 C ATOM 2305 C ALA B 135 52.792 -11.318 115.532 1.00 29.25 C ATOM 2306 O ALA B 135 51.885 -12.083 115.883 1.00 28.08 O ATOM 2307 CB ALA B 135 55.178 -12.065 115.330 1.00 28.98 C ATOM 2308 H ALA B 135 55.041 -10.396 113.375 1.00 0.00 H ATOM 2309 N ALA B 136 52.853 -10.048 115.940 1.00 24.93 N ATOM 2310 CA ALA B 136 51.831 -9.501 116.832 1.00 23.62 C ATOM 2311 C ALA B 136 50.469 -9.439 116.150 1.00 31.28 C ATOM 2312 O ALA B 136 49.451 -9.810 116.746 1.00 28.13 O ATOM 2313 CB ALA B 136 52.240 -8.107 117.303 1.00 27.39 C ATOM 2314 H ALA B 136 53.635 -9.442 115.620 1.00 0.00 H ATOM 2315 N ALA B 137 50.433 -8.967 114.900 1.00 25.53 N ATOM 2316 CA ALA B 137 49.172 -8.882 114.177 1.00 26.45 C ATOM 2317 C ALA B 137 48.547 -10.255 113.988 1.00 26.75 C ATOM 2318 O ALA B 137 47.319 -10.404 114.060 1.00 28.40 O ATOM 2319 CB ALA B 137 49.404 -8.209 112.827 1.00 23.75 C ATOM 2320 H ALA B 137 51.313 -8.658 114.440 1.00 0.00 H ATOM 2321 N LEU B 138 49.383 -11.269 113.749 1.00 26.27 N ATOM 2322 CA LEU B 138 48.899 -12.625 113.504 1.00 31.64 C ATOM 2323 C LEU B 138 48.240 -13.217 114.739 1.00 33.52 C ATOM 2324 O LEU B 138 47.206 -13.888 114.638 1.00 42.04 O ATOM 2325 CB LEU B 138 50.059 -13.512 113.046 1.00 33.79 C ATOM 2326 CG LEU B 138 49.728 -14.977 112.773 1.00 44.35 C ATOM 2327 CD1 LEU B 138 48.792 -15.077 111.578 1.00 44.71 C ATOM 2328 CD2 LEU B 138 51.009 -15.765 112.527 1.00 38.77 C ATOM 2329 H LEU B 138 50.407 -11.088 113.737 1.00 0.00 H ATOM 2330 N GLU B 139 48.833 -13.006 115.912 1.00 28.90 N ATOM 2331 CA GLU B 139 48.202 -13.503 117.129 1.00 39.41 C ATOM 2332 C GLU B 139 46.841 -12.864 117.305 1.00 42.15 C ATOM 2333 O GLU B 139 45.862 -13.541 117.632 1.00 47.28 O ATOM 2334 CB GLU B 139 49.085 -13.223 118.341 1.00 45.76 C ATOM 2335 CG GLU B 139 48.602 -13.893 119.618 1.00 61.02 C ATOM 2336 CD GLU B 139 48.608 -15.418 119.520 1.00 77.63 C ATOM 2337 OE1 GLU B 139 47.877 -16.072 120.297 1.00 83.32 O ATOM 2338 OE2 GLU B 139 49.342 -15.971 118.670 1.00 83.39 O ATOM 2339 H GLU B 139 49.736 -12.492 115.960 1.00 0.00 H ATOM 2340 N HIS B 140 46.750 -11.564 117.044 1.00 35.78 N ATOM 2341 CA HIS B 140 45.454 -10.903 116.957 1.00 49.01 C ATOM 2342 C HIS B 140 44.801 -11.174 115.596 1.00 58.07 C ATOM 2343 O HIS B 140 44.579 -10.280 114.784 1.00 63.12 O ATOM 2344 CB HIS B 140 45.616 -9.416 117.231 1.00 49.50 C ATOM 2345 CG HIS B 140 44.317 -8.676 117.242 1.00 60.29 C ATOM 2346 ND1 HIS B 140 43.580 -8.444 116.100 1.00 69.29 N ATOM 2347 CD2 HIS B 140 43.585 -8.186 118.270 1.00 64.37 C ATOM 2348 CE1 HIS B 140 42.468 -7.806 116.421 1.00 70.10 C ATOM 2349 NE2 HIS B 140 42.444 -7.646 117.732 1.00 69.52 N ATOM 2350 H HIS B 140 47.618 -11.009 116.899 1.00 0.00 H ATOM 2351 N HIS B 141 44.499 -12.449 115.353 1.00 64.60 N ATOM 2352 CA HIS B 141 43.888 -12.872 114.083 1.00 55.48 C ATOM 2353 C HIS B 141 43.495 -14.352 114.109 1.00 55.66 C ATOM 2354 O HIS B 141 44.178 -15.170 114.732 1.00 63.00 O ATOM 2355 CB HIS B 141 44.834 -12.595 112.894 1.00 46.76 C ATOM 2356 CG HIS B 141 44.126 -12.484 111.575 1.00 50.00 C ATOM 2357 ND1 HIS B 141 44.031 -13.538 110.691 1.00 50.82 N ATOM 2358 CD2 HIS B 141 43.451 -11.457 111.007 1.00 38.41 C ATOM 2359 CE1 HIS B 141 43.334 -13.164 109.633 1.00 42.99 C ATOM 2360 NE2 HIS B 141 42.971 -11.904 109.799 1.00 42.25 N ATOM 2361 H HIS B 141 44.701 -13.164 116.081 1.00 0.00 H TER 2362 HIS B 141 HETATM 2363 O HOH 1 17.826 13.656 106.247 1.00 64.08 O HETATM 2364 O HOH 2 24.908 6.840 113.610 1.00 42.73 O HETATM 2365 O HOH 3 26.588 6.162 116.941 1.00 28.42 O HETATM 2366 O HOH 4 27.326 27.395 142.808 1.00 48.84 O HETATM 2367 O HOH 5 29.501 21.749 138.219 1.00 36.73 O HETATM 2368 O HOH 6 29.735 6.670 123.105 1.00 39.28 O HETATM 2369 O HOH 7 21.192 2.280 102.954 1.00 57.58 O HETATM 2370 O HOH 8 8.828 15.138 125.873 1.00 42.91 O HETATM 2371 O HOH 9 31.117 25.995 124.043 1.00 58.22 O HETATM 2372 O HOH 10 11.378 12.950 109.404 1.00 33.99 O HETATM 2373 O HOH 11 16.756 7.203 129.256 1.00 28.33 O HETATM 2374 O HOH 12 21.507 9.647 139.213 1.00 36.85 O HETATM 2375 O HOH 13 10.983 19.630 113.845 1.00 46.82 O HETATM 2376 O HOH 14 7.932 0.452 112.555 1.00 51.16 O HETATM 2377 O HOH 15 14.253 20.628 142.968 1.00 46.38 O HETATM 2378 O HOH 16 23.607 16.657 143.657 1.00 35.69 O HETATM 2379 O HOH 17 21.241 23.993 145.758 1.00 40.92 O HETATM 2380 O HOH 18 24.012 3.662 129.538 1.00 37.23 O HETATM 2381 O HOH 19 21.335 20.604 144.463 1.00 36.38 O HETATM 2382 O HOH 20 13.299 22.777 136.086 1.00 49.74 O HETATM 2383 O HOH 21 9.039 8.567 119.613 1.00 29.46 O HETATM 2384 O HOH 22 7.640 4.046 110.795 1.00 28.51 O HETATM 2385 O HOH 23 16.342 10.441 107.139 1.00 35.22 O HETATM 2386 O HOH 24 9.121 13.774 122.425 1.00 38.76 O HETATM 2387 O HOH 25 16.023 18.825 131.025 1.00 32.90 O HETATM 2388 O HOH 26 6.983 14.834 114.607 1.00 41.89 O HETATM 2389 O HOH 27 12.480 7.807 129.108 1.00 41.21 O HETATM 2390 O HOH 28 23.396 25.920 134.066 1.00 35.94 O HETATM 2391 O HOH 29 29.486 6.378 133.830 1.00 39.55 O HETATM 2392 O HOH 30 24.811 0.610 121.049 1.00 45.74 O HETATM 2393 O HOH 31 6.054 9.207 112.299 1.00 21.32 O HETATM 2394 O HOH 32 8.659 2.669 118.003 1.00 26.77 O HETATM 2395 O HOH 33 12.292 7.916 98.183 1.00 34.75 O HETATM 2396 O HOH 34 26.106 17.297 143.288 1.00 36.88 O HETATM 2397 O HOH 35 7.767 6.517 109.770 1.00 23.40 O HETATM 2398 O HOH 36 15.280 9.854 104.484 1.00 36.94 O HETATM 2399 O HOH 37 24.426 23.580 121.552 1.00 52.30 O HETATM 2400 O HOH 38 19.616 28.061 143.256 1.00 40.67 O HETATM 2401 O HOH 39 22.843 1.675 125.017 1.00 37.22 O HETATM 2402 O HOH 40 26.948 26.629 134.479 1.00 41.84 O HETATM 2403 O HOH 41 20.787 29.095 140.674 1.00 48.40 O HETATM 2404 O HOH 42 14.106 8.744 96.543 1.00 47.50 O HETATM 2405 O HOH 43 25.279 29.963 128.102 1.00 49.31 O HETATM 2406 O HOH 44 12.336 1.292 94.112 1.00 46.39 O HETATM 2407 O HOH 45 29.437 19.317 116.675 1.00 41.62 O HETATM 2408 O HOH 46 18.631 3.610 104.115 1.00 39.37 O HETATM 2409 O HOH 47 22.475 7.130 111.618 1.00 44.91 O HETATM 2410 O HOH 48 10.379 9.168 126.107 1.00 38.76 O HETATM 2411 O HOH 49 24.291 9.911 111.712 1.00 46.49 O HETATM 2412 O HOH 50 31.348 10.244 139.179 1.00 40.73 O HETATM 2413 O HOH 51 35.600 9.923 116.999 1.00 47.47 O HETATM 2414 O HOH 52 21.582 2.637 116.615 1.00 33.06 O HETATM 2415 O HOH 53 11.553 3.300 122.889 1.00 22.48 O HETATM 2416 O HOH 54 24.602 10.279 142.793 1.00 41.87 O HETATM 2417 O HOH 55 9.353 2.083 121.276 1.00 39.75 O HETATM 2418 O HOH 56 19.332 4.911 110.363 1.00 43.00 O HETATM 2419 O HOH 57 17.191 12.794 139.535 1.00 42.34 O HETATM 2420 O HOH 58 20.879 13.960 112.421 1.00 45.17 O HETATM 2421 O HOH 59 7.512 3.717 101.430 1.00 25.20 O HETATM 2422 O HOH 60 15.983 -0.486 95.542 1.00 36.15 O HETATM 2423 O HOH 61 7.669 14.671 109.426 1.00 47.94 O HETATM 2424 O HOH 62 8.212 6.617 117.738 1.00 22.06 O HETATM 2425 O HOH 63 18.407 2.429 113.458 1.00 27.75 O HETATM 2426 O HOH 64 32.246 13.126 140.133 1.00 38.19 O HETATM 2427 O HOH 65 17.689 0.503 130.126 1.00 56.22 O HETATM 2428 O HOH 66 5.845 13.215 110.687 1.00 38.51 O HETATM 2429 O HOH 67 12.702 19.647 120.165 1.00 34.97 O HETATM 2430 O HOH 68 17.022 28.382 130.459 1.00 52.76 O HETATM 2431 O HOH 69 29.797 5.862 131.572 1.00 55.71 O HETATM 2432 O HOH 70 8.224 0.161 104.276 1.00 26.55 O HETATM 2433 O HOH 71 9.564 10.101 123.420 1.00 35.30 O HETATM 2434 O HOH 72 5.732 11.613 118.110 1.00 29.52 O HETATM 2435 O HOH 73 26.755 4.298 129.727 1.00 32.14 O HETATM 2436 O HOH 74 21.967 4.173 134.450 1.00 32.01 O HETATM 2437 O HOH 75 20.819 26.925 145.281 1.00 47.72 O HETATM 2438 O HOH 76 14.550 1.722 107.249 1.00 28.00 O HETATM 2439 O HOH 77 12.264 19.366 110.645 1.00 53.42 O HETATM 2440 O HOH 78 27.790 22.008 112.226 1.00 48.50 O HETATM 2441 O HOH 79 5.192 17.785 116.534 1.00 51.56 O HETATM 2442 O HOH 80 17.080 14.367 141.764 1.00 43.43 O HETATM 2443 O HOH 81 7.632 -0.408 116.068 1.00 36.67 O HETATM 2444 O HOH 82 23.135 13.144 113.095 1.00 46.13 O HETATM 2445 O HOH 83 5.362 15.242 120.870 1.00 48.89 O HETATM 2446 O HOH 84 28.599 8.522 121.712 1.00 55.11 O HETATM 2447 O HOH 85 8.608 2.181 109.176 1.00 36.04 O HETATM 2448 O HOH 86 31.778 12.581 142.869 1.00 42.61 O HETATM 2449 O HOH 87 19.624 2.793 135.603 1.00 52.91 O HETATM 2450 O HOH 88 21.966 31.274 135.757 1.00 63.74 O HETATM 2451 O HOH 89 6.916 11.391 122.273 1.00 52.40 O HETATM 2452 O HOH 90 29.573 26.864 134.653 1.00 38.10 O HETATM 2453 O HOH 91 19.294 11.001 140.077 1.00 42.53 O HETATM 2454 O HOH 92 17.723 11.171 103.562 1.00 55.06 O HETATM 2455 O HOH 93 24.139 1.931 117.518 1.00 46.36 O HETATM 2456 O HOH 94 13.126 22.235 118.969 1.00 53.61 O HETATM 2457 O HOH 95 23.669 7.854 109.003 1.00 53.38 O HETATM 2458 O HOH 96 8.957 12.839 107.913 1.00 44.98 O HETATM 2459 O HOH 97 24.632 4.203 113.425 1.00 52.96 O HETATM 2460 O HOH 98 21.150 2.130 113.973 1.00 44.00 O HETATM 2461 O HOH 99 6.495 8.786 121.074 1.00 49.03 O HETATM 2462 O HOH 100 30.672 22.922 140.313 1.00 56.80 O HETATM 2463 O HOH 101 25.872 3.525 116.071 1.00 40.34 O HETATM 2464 O HOH 102 8.262 7.378 104.672 1.00 34.92 O HETATM 2465 O HOH 103 5.309 12.975 120.380 1.00 45.09 O HETATM 2466 O HOH 104 23.734 3.600 136.594 1.00 44.16 O HETATM 2467 O HOH 105 6.982 3.887 119.624 1.00 27.86 O HETATM 2468 O HOH 106 10.501 10.267 99.357 1.00 52.81 O HETATM 2469 O HOH 107 10.676 8.104 121.746 1.00 33.64 O HETATM 2470 O HOH 108 17.666 -0.248 113.079 1.00 36.23 O HETATM 2471 O HOH 109 8.706 9.505 103.497 1.00 44.28 O HETATM 2472 O HOH 110 7.391 7.847 107.373 1.00 31.10 O HETATM 2473 O HOH 111 9.965 6.266 125.574 1.00 34.58 O HETATM 2474 O HOH 112 10.311 5.758 122.822 1.00 26.63 O HETATM 2475 O HOH 113 19.470 32.203 134.662 1.00 56.24 O HETATM 2476 O HOH 114 18.793 -2.541 114.204 1.00 40.73 O HETATM 2477 O HOH 115 6.399 10.137 107.744 1.00 41.85 O HETATM 2478 O HOH 116 23.699 14.653 145.490 1.00 50.39 O HETATM 2479 O HOH 117 8.846 4.089 97.155 1.00 39.07 O HETATM 2480 O HOH 118 7.664 4.996 122.024 1.00 32.73 O HETATM 2481 O HOH 119 5.080 9.059 118.849 1.00 32.43 O HETATM 2482 O HOH 120 9.946 6.510 96.914 1.00 40.82 O HETATM 2483 O HOH 121 23.174 2.791 132.213 1.00 54.74 O HETATM 2484 O HOH 122 9.301 2.626 94.751 1.00 46.39 O HETATM 2485 O HOH 123 17.019 2.736 106.684 1.00 48.66 O HETATM 2486 O HOH 124 13.516 7.654 94.205 1.00 48.10 O HETATM 2487 O HOH 125 5.967 7.910 100.989 1.00 53.74 O HETATM 2488 O HOH 126 8.044 7.967 96.862 1.00 45.93 O HETATM 2489 O HOH 127 36.066 18.982 146.055 1.00 52.17 O HETATM 2490 O HOH 128 47.854 -6.632 121.194 1.00 42.37 O HETATM 2491 O HOH 129 34.155 7.026 123.990 1.00 62.10 O HETATM 2492 O HOH 130 49.944 17.184 128.831 1.00 34.96 O HETATM 2493 O HOH 131 32.330 18.748 137.475 1.00 54.73 O HETATM 2494 O HOH 132 34.428 6.138 141.932 1.00 40.78 O HETATM 2495 O HOH 133 36.150 6.575 121.735 1.00 44.86 O HETATM 2496 O HOH 134 37.962 31.539 130.636 1.00 72.98 O HETATM 2497 O HOH 135 39.680 0.433 118.708 1.00 34.15 O HETATM 2498 O HOH 136 43.059 28.814 137.145 1.00 60.65 O HETATM 2499 O HOH 137 35.164 20.529 138.886 1.00 40.70 O HETATM 2500 O HOH 138 53.019 -4.921 123.686 1.00 30.18 O HETATM 2501 O HOH 139 50.143 -16.691 116.343 1.00 54.16 O HETATM 2502 O HOH 140 40.773 16.832 116.577 1.00 48.91 O HETATM 2503 O HOH 141 56.748 1.183 112.236 1.00 39.32 O HETATM 2504 O HOH 142 27.765 6.096 137.279 1.00 50.18 O HETATM 2505 O HOH 143 55.731 7.711 127.404 1.00 34.94 O HETATM 2506 O HOH 144 43.009 -14.920 117.059 1.00 48.99 O HETATM 2507 O HOH 145 48.827 14.689 134.454 1.00 49.75 O HETATM 2508 O HOH 146 40.810 16.805 119.242 1.00 33.80 O HETATM 2509 O HOH 147 40.971 -3.422 136.309 1.00 55.65 O HETATM 2510 O HOH 148 40.356 -1.770 121.430 1.00 37.04 O HETATM 2511 O HOH 149 33.628 28.394 133.252 1.00 57.46 O HETATM 2512 O HOH 150 51.925 -17.259 109.253 1.00 45.27 O HETATM 2513 O HOH 151 47.946 15.645 122.713 1.00 24.09 O HETATM 2514 O HOH 152 57.464 -0.546 126.845 1.00 30.46 O HETATM 2515 O HOH 153 55.800 5.732 115.463 1.00 29.18 O HETATM 2516 O HOH 154 38.718 27.083 135.751 1.00 51.68 O HETATM 2517 O HOH 155 54.136 12.211 123.971 1.00 39.42 O HETATM 2518 O HOH 156 33.662 22.494 137.377 1.00 61.05 O HETATM 2519 O HOH 157 53.521 -7.680 126.797 1.00 45.84 O HETATM 2520 O HOH 158 56.880 -1.625 115.199 1.00 26.45 O HETATM 2521 O HOH 159 46.587 1.394 135.594 1.00 52.77 O HETATM 2522 O HOH 160 32.204 22.488 135.651 1.00 51.49 O HETATM 2523 O HOH 161 45.562 19.692 118.293 1.00 45.50 O HETATM 2524 O HOH 162 44.154 -8.118 122.879 1.00 43.36 O HETATM 2525 O HOH 163 35.476 20.724 123.021 1.00 47.79 O HETATM 2526 O HOH 164 40.113 28.154 128.904 1.00 49.05 O HETATM 2527 O HOH 165 39.776 9.099 114.374 1.00 39.61 O HETATM 2528 O HOH 166 53.055 -2.512 131.092 1.00 39.73 O HETATM 2529 O HOH 167 36.635 -2.335 136.839 1.00 27.54 O HETATM 2530 O HOH 168 49.215 1.698 111.075 1.00 43.37 O HETATM 2531 O HOH 169 52.237 -14.810 116.176 1.00 37.21 O HETATM 2532 O HOH 170 45.058 -5.117 126.374 1.00 56.17 O HETATM 2533 O HOH 171 30.298 24.605 136.376 1.00 39.12 O HETATM 2534 O HOH 172 41.637 12.862 116.373 1.00 40.73 O HETATM 2535 O HOH 173 55.498 5.910 121.589 1.00 27.83 O HETATM 2536 O HOH 174 47.514 31.121 143.736 1.00 50.92 O HETATM 2537 O HOH 175 46.063 -0.132 137.529 1.00 34.86 O HETATM 2538 O HOH 176 49.031 25.573 140.510 1.00 50.85 O HETATM 2539 O HOH 177 58.378 -1.312 120.600 1.00 23.23 O HETATM 2540 O HOH 178 43.538 24.680 127.485 1.00 42.63 O HETATM 2541 O HOH 179 45.680 -8.309 113.119 1.00 38.32 O HETATM 2542 O HOH 180 43.765 -2.097 125.266 1.00 48.05 O HETATM 2543 O HOH 181 56.651 -3.218 117.432 1.00 25.00 O HETATM 2544 O HOH 182 37.891 33.201 128.086 1.00 69.84 O HETATM 2545 O HOH 183 48.724 -15.449 107.357 1.00 32.34 O HETATM 2546 O HOH 184 41.000 27.477 135.112 1.00 50.62 O HETATM 2547 O HOH 185 38.610 5.741 135.038 1.00 39.62 O HETATM 2548 O HOH 186 45.331 -2.074 116.124 1.00 35.91 O HETATM 2549 O HOH 187 45.883 3.245 137.053 1.00 47.40 O HETATM 2550 O HOH 188 35.053 25.554 125.726 1.00 49.86 O HETATM 2551 O HOH 189 42.852 4.567 115.427 1.00 27.91 O HETATM 2552 O HOH 190 33.347 24.817 129.051 1.00 53.38 O HETATM 2553 O HOH 191 54.626 14.381 116.982 1.00 40.60 O HETATM 2554 O HOH 192 51.840 3.974 132.711 1.00 33.36 O HETATM 2555 O HOH 193 49.344 -8.622 121.477 1.00 22.70 O HETATM 2556 O HOH 194 41.980 -1.747 138.371 1.00 43.33 O HETATM 2557 O HOH 195 58.768 3.777 124.295 1.00 25.94 O HETATM 2558 O HOH 196 50.018 -4.522 112.264 1.00 26.03 O HETATM 2559 O HOH 197 43.708 27.331 139.325 1.00 54.90 O HETATM 2560 O HOH 198 56.789 -5.240 125.167 1.00 40.63 O HETATM 2561 O HOH 199 40.080 4.198 136.915 1.00 39.35 O HETATM 2562 O HOH 200 38.560 3.673 116.206 1.00 36.40 O HETATM 2563 O HOH 201 53.639 15.388 130.298 1.00 40.92 O HETATM 2564 O HOH 202 55.056 9.077 115.610 1.00 33.48 O HETATM 2565 O HOH 203 49.134 -9.597 119.615 1.00 29.22 O HETATM 2566 O HOH 204 56.290 4.611 119.289 1.00 23.35 O HETATM 2567 O HOH 205 44.640 21.881 146.219 1.00 59.73 O HETATM 2568 O HOH 206 54.914 9.433 124.061 1.00 31.17 O HETATM 2569 O HOH 207 34.264 4.304 145.475 1.00 48.53 O HETATM 2570 O HOH 208 52.640 15.098 122.663 1.00 57.73 O HETATM 2571 O HOH 209 42.334 -1.460 118.438 1.00 39.92 O HETATM 2572 O HOH 210 47.773 7.414 138.149 1.00 50.47 O HETATM 2573 O HOH 211 44.597 -8.782 120.855 1.00 45.32 O HETATM 2574 O HOH 212 47.529 27.096 132.642 1.00 54.28 O HETATM 2575 O HOH 213 35.420 5.463 118.889 1.00 43.29 O HETATM 2576 O HOH 214 31.243 25.668 138.708 1.00 61.14 O HETATM 2577 O HOH 215 56.547 4.438 112.198 1.00 39.72 O HETATM 2578 O HOH 216 58.719 -3.760 124.246 1.00 29.46 O HETATM 2579 O HOH 217 41.356 -1.035 124.578 1.00 43.42 O HETATM 2580 O HOH 218 37.998 16.869 119.997 1.00 31.35 O HETATM 2581 O HOH 219 41.685 2.787 143.940 1.00 36.86 O HETATM 2582 O HOH 220 31.781 4.501 132.650 1.00 57.20 O HETATM 2583 O HOH 221 56.270 -7.109 110.116 1.00 24.37 O HETATM 2584 O HOH 222 57.025 -10.611 112.851 1.00 26.46 O HETATM 2585 O HOH 223 46.022 1.521 114.251 1.00 24.00 O HETATM 2586 O HOH 224 32.423 25.027 130.859 1.00 35.28 O HETATM 2587 O HOH 225 42.877 21.149 121.104 1.00 29.26 O HETATM 2588 O HOH 226 52.980 10.306 117.285 1.00 22.00 O HETATM 2589 O HOH 227 37.755 14.545 115.998 1.00 56.99 O HETATM 2590 O HOH 228 47.743 24.430 130.469 1.00 43.10 O HETATM 2591 O HOH 229 51.297 18.853 117.034 1.00 65.70 O HETATM 2592 O HOH 230 52.358 -4.562 130.295 1.00 53.10 O HETATM 2593 O HOH 231 31.702 3.834 130.580 1.00 60.50 O HETATM 2594 O HOH 232 40.529 -1.682 142.199 1.00 46.63 O HETATM 2595 O HOH 233 55.820 -2.734 113.112 1.00 35.19 O HETATM 2596 O HOH 234 35.144 7.565 118.090 1.00 53.70 O HETATM 2597 O HOH 235 58.888 5.895 128.557 1.00 39.74 O HETATM 2598 O HOH 236 51.743 1.956 134.717 1.00 54.08 O HETATM 2599 O HOH 237 44.190 -5.070 116.070 1.00 40.27 O HETATM 2600 O HOH 238 57.347 8.056 125.196 1.00 50.97 O HETATM 2601 O HOH 239 41.113 17.023 147.244 1.00 55.55 O HETATM 2602 O HOH 240 55.346 -6.393 123.096 1.00 37.45 O HETATM 2603 O HOH 241 43.388 2.136 114.194 1.00 50.83 O HETATM 2604 O HOH 242 40.204 14.632 116.467 1.00 46.22 O HETATM 2605 O HOH 243 56.004 -8.517 117.405 1.00 39.43 O HETATM 2606 O HOH 244 42.636 19.212 148.292 1.00 52.31 O HETATM 2607 O HOH 245 46.253 -6.594 114.037 1.00 54.49 O HETATM 2608 O HOH 246 40.326 5.250 115.168 1.00 39.22 O HETATM 2609 O HOH 247 46.207 -10.285 120.652 1.00 58.62 O HETATM 2610 O HOH 248 57.370 6.833 117.287 1.00 31.61 O HETATM 2611 O HOH 249 53.954 8.095 121.869 1.00 30.81 O HETATM 2612 O HOH 250 59.123 5.811 126.047 1.00 51.35 O HETATM 2613 O HOH 251 55.580 -9.830 118.961 1.00 52.85 O HETATM 2614 O HOH 252 60.160 1.212 125.344 1.00 52.62 O HETATM 2615 O HOH 253 54.620 12.176 120.852 1.00 35.40 O HETATM 2616 O HOH 254 54.210 9.672 119.609 1.00 27.96 O HETATM 2617 O HOH 255 57.039 -5.934 118.312 1.00 29.49 O HETATM 2618 O HOH 256 46.895 1.738 111.611 1.00 31.11 O HETATM 2619 O HOH 257 36.870 19.584 119.555 1.00 50.50 O HETATM 2620 O HOH 258 57.990 -5.884 120.739 1.00 47.81 O HETATM 2621 O HOH 259 41.983 -0.586 115.259 1.00 47.08 O HETATM 2622 O HOH 260 55.802 -3.242 131.018 1.00 48.75 O HETATM 2623 O HOH 261 45.798 3.038 109.935 1.00 49.43 O HETATM 2624 O HOH 262 57.590 -2.491 128.847 1.00 60.47 O HETATM 2625 O HOH 263 54.507 -15.595 114.671 1.00 50.49 O HETATM 2626 O HOH 264 41.933 19.678 119.114 1.00 34.98 O HETATM 2627 O HOH 265 44.495 -0.742 114.579 1.00 57.18 O HETATM 2628 O HOH 266 41.422 29.922 133.506 1.00 61.18 O HETATM 2629 O HOH 267 55.769 -14.990 112.112 1.00 52.26 O HETATM 2630 O HOH 268 47.886 -0.474 140.009 1.00 54.58 O HETATM 2631 O HOH 269 40.702 19.939 150.023 1.00 46.43 O HETATM 2632 O HOH 270 47.703 -4.650 113.056 1.00 35.18 O HETATM 2633 O HOH 271 39.741 21.015 118.158 1.00 53.76 O HETATM 2634 F1 UNN A 272 35.293 10.989 136.832 1.00 -0.20 F HETATM 2635 C19 UNN A 272 34.574 10.071 136.129 1.00 0.15 C HETATM 2636 C20 UNN A 272 34.493 8.758 136.556 1.00 -0.03 C HETATM 2637 C21 UNN A 272 33.740 7.852 135.819 1.00 0.02 C HETATM 2638 C22 UNN A 272 33.629 6.389 136.254 1.00 -0.00 C HETATM 2639 N UNN A 272 32.327 6.072 136.803 1.00 0.25 N HETATM 2640 C23 UNN A 272 32.031 6.999 137.872 1.00 0.04 C HETATM 2641 C24 UNN A 272 32.517 6.420 139.197 1.00 0.16 C HETATM 2642 O3 UNN A 272 33.658 6.148 139.372 1.00 -0.38 O HETATM 2643 C25 UNN A 272 31.478 6.193 140.288 1.00 0.08 C HETATM 2644 C26 UNN A 272 30.079 6.402 139.708 1.00 0.05 C HETATM 2645 O4 UNN A 272 29.489 5.450 139.126 1.00 -0.57 O HETATM 2646 O5 UNN A 272 29.526 7.530 139.805 1.00 -0.57 O HETATM 2647 H8 UNN A 272 31.645 6.906 141.108 1.00 0.07 H HETATM 2648 H9 UNN A 272 31.567 5.166 140.671 1.00 0.07 H HETATM 2649 H6 UNN A 272 30.945 7.167 137.922 1.00 0.11 H HETATM 2650 H7 UNN A 272 32.541 7.955 137.680 1.00 0.11 H HETATM 2651 H4 UNN A 272 32.332 5.131 137.163 1.00 0.20 H HETATM 2652 H5 UNN A 272 31.627 6.152 136.082 1.00 0.20 H HETATM 2653 H2 UNN A 272 34.393 6.189 137.020 1.00 0.09 H HETATM 2654 H3 UNN A 272 33.809 5.746 135.380 1.00 0.09 H HETATM 2655 C UNN A 272 33.094 8.263 134.663 1.00 0.13 C HETATM 2656 C1 UNN A 272 33.182 9.577 134.234 1.00 -0.01 C HETATM 2657 C2 UNN A 272 33.927 10.476 134.977 1.00 0.12 C HETATM 2658 O UNN A 272 34.060 11.807 134.585 1.00 -0.31 O HETATM 2659 C3 UNN A 272 33.167 12.206 133.585 1.00 0.10 C HETATM 2660 C4 UNN A 272 33.555 13.645 133.305 1.00 -0.01 C HETATM 2661 C5 UNN A 272 32.708 14.424 132.532 1.00 -0.04 C HETATM 2662 C6 UNN A 272 31.448 13.787 131.986 1.00 -0.03 C HETATM 2663 H13 UNN A 272 31.392 12.740 132.320 1.00 0.04 H HETATM 2664 H14 UNN A 272 31.467 13.821 130.887 1.00 0.04 H HETATM 2665 H15 UNN A 272 30.570 14.337 132.355 1.00 0.04 H HETATM 2666 C7 UNN A 272 33.038 15.737 132.272 1.00 -0.03 C HETATM 2667 C16 UNN A 272 34.211 16.255 132.795 1.00 -0.07 C HETATM 2668 C17 UNN A 272 35.053 15.474 133.572 1.00 -0.08 C HETATM 2669 C18 UNN A 272 34.720 14.156 133.832 1.00 -0.07 C HETATM 2670 H18 UNN A 272 35.367 13.535 134.441 1.00 0.05 H HETATM 2671 H17 UNN A 272 35.968 15.894 133.974 1.00 0.05 H HETATM 2672 H16 UNN A 272 34.475 17.287 132.594 1.00 0.05 H HETATM 2673 C8 UNN A 272 32.160 16.668 131.425 1.00 -0.04 C HETATM 2674 C9 UNN A 272 32.723 17.170 130.263 1.00 -0.04 C HETATM 2675 C10 UNN A 272 31.976 18.043 129.455 1.00 0.12 C HETATM 2676 C11 UNN A 272 30.712 18.401 129.828 1.00 0.12 C HETATM 2677 C14 UNN A 272 30.111 17.909 131.010 1.00 -0.04 C HETATM 2678 C15 UNN A 272 30.868 17.046 131.815 1.00 -0.07 C HETATM 2679 H21 UNN A 272 30.452 16.670 132.743 1.00 0.05 H HETATM 2680 H20 UNN A 272 29.100 18.189 131.284 1.00 0.05 H HETATM 2681 O1 UNN A 272 29.960 19.302 129.016 1.00 -0.32 O HETATM 2682 C12 UNN A 272 30.727 19.992 128.033 1.00 0.10 C HETATM 2683 C13 UNN A 272 31.722 19.077 127.344 1.00 0.10 C HETATM 2684 O2 UNN A 272 32.587 18.532 128.280 1.00 -0.32 O HETATM 2685 H22 UNN A 272 31.180 18.267 126.833 1.00 0.06 H HETATM 2686 H23 UNN A 272 32.299 19.654 126.607 1.00 0.06 H HETATM 2687 H24 UNN A 272 30.044 20.408 127.277 1.00 0.06 H HETATM 2688 H25 UNN A 272 31.276 20.811 128.521 1.00 0.06 H HETATM 2689 H19 UNN A 272 33.732 16.891 129.980 1.00 0.05 H HETATM 2690 H11 UNN A 272 32.128 12.143 133.940 1.00 0.08 H HETATM 2691 H12 UNN A 272 33.285 11.586 132.684 1.00 0.08 H HETATM 2692 H10 UNN A 272 32.675 9.896 133.330 1.00 0.05 H HETATM 2693 F UNN A 272 32.372 7.354 133.951 1.00 -0.20 F HETATM 2694 H1 UNN A 272 35.010 8.440 137.454 1.00 0.05 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 213 212 918 CONECT 918 213 917 CONECT 1191 1192 1196 1197 1198 CONECT 1196 1191 CONECT 1197 1191 CONECT 1198 1191 CONECT 1403 1402 2107 CONECT 2107 1403 2106 CONECT 2634 2635 CONECT 2635 2634 2636 2657 CONECT 2636 2635 2637 2694 CONECT 2637 2636 2638 2655 CONECT 2638 2637 2639 2653 2654 CONECT 2639 2638 2640 2651 2652 CONECT 2640 2639 2641 2649 2650 CONECT 2641 2640 2642 2643 CONECT 2642 2641 CONECT 2643 2641 2644 2647 2648 CONECT 2644 2643 2645 2646 CONECT 2645 2644 CONECT 2646 2644 CONECT 2647 2643 CONECT 2648 2643 CONECT 2649 2640 CONECT 2650 2640 CONECT 2651 2639 CONECT 2652 2639 CONECT 2653 2638 CONECT 2654 2638 CONECT 2655 2637 2656 2693 CONECT 2656 2655 2657 2692 CONECT 2657 2635 2656 2658 CONECT 2658 2657 2659 CONECT 2659 2658 2660 2690 2691 CONECT 2660 2659 2661 2669 CONECT 2661 2660 2662 2666 CONECT 2662 2661 2663 2664 2665 CONECT 2663 2662 CONECT 2664 2662 CONECT 2665 2662 CONECT 2666 2661 2667 2673 CONECT 2667 2666 2668 2672 CONECT 2668 2667 2669 2671 CONECT 2669 2660 2668 2670 CONECT 2670 2669 CONECT 2671 2668 CONECT 2672 2667 CONECT 2673 2666 2674 2678 CONECT 2674 2673 2675 2689 CONECT 2675 2674 2676 2684 CONECT 2676 2675 2677 2681 CONECT 2677 2676 2678 2680 CONECT 2678 2673 2677 2679 CONECT 2679 2678 CONECT 2680 2677 CONECT 2681 2676 2682 CONECT 2682 2681 2683 2687 2688 CONECT 2683 2682 2684 2685 2686 CONECT 2684 2675 2683 CONECT 2685 2683 CONECT 2686 2683 CONECT 2687 2682 CONECT 2688 2682 CONECT 2689 2674 CONECT 2690 2659 CONECT 2691 2659 CONECT 2692 2656 CONECT 2693 2655 CONECT 2694 2636 MASTER 0 0 0 0 0 0 0 0 2692 2 73 20 END
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Structure:
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Related entries of code: 5n2f
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5xxy
RCSB PDB
PDBbind
124aa, >5XXY_3|Chain... at 93%
6rpg
RCSB PDB
PDBbind
128aa, >6RPG_1|Chains... at 91%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5n2f
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Programmed cell death 1 ligand 1
Ligand Name
8HW
EC.Number
E.C.-.-.-.-
Resolution
1.7(Å)
Affinity (Kd/Ki/IC50)
IC50=80nM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) J. Med. Chem. Vol. 60: pp. 5857-5867
Ligand Properties
Formula
C
2
7
H
2
6
F
2
NO
6
Molecular Weight
498.495
Exact Mass
498.173
No. of atoms
62
No. of bonds
65
Polar Surface Area
98.67
LOGP Value
2.71 (
Computed with XLOGP3
)
3.40 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 4
Canonical SMILES
O=C(CC(=O)O)C[NH2+]Cc1cc(F)c(cc1F)OCc1cccc(c1C)c1ccc2c(c1)OCCO2
InChI String
InChI=1S/C27H25F2NO6/c1-16-18(3-2-4-21(16)17-5-6-24-26(10-17)35-8-7-34-24)15-36-25-12-22(28)19(9-23(25)29)13-30-14-20(31)11-27(32)33/h2-6,9-10,12,30H,7-8,11,13-15H2,1H3,(H,32,33)/p+1
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):
Q9NZQ7
Entrez Gene ID
NCBI Entrez Gene ID:
29126
ASD
Information of known allosteric effects of PDB entries
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