Browse entries in the PDBbind-CN Database
HEADER 5C5T_COMPLEX COMPND 5C5T_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 33 GLY VAL CYS ASP GLY LYS TYR TYR GLU LYS ILE ASP GLY SEQRES 2 A 33 PHE LEU SER ASP ILE GLU CYS ASP VAL LEU ILE ASN ALA SEQRES 3 A 33 ALA ILE LYS LYS GLY LEU ILE SEQRES 1 A 148 PRO LYS SER ARG ASN SER GLU GLN THR TRP PHE MET PRO SEQRES 2 A 148 GLY GLU HIS GLU VAL ILE ASP LYS ILE GLN LYS LYS THR SEQRES 3 A 148 ARG GLU PHE LEU ASN SER LYS LYS HIS CYS ILE ASP LYS SEQRES 4 A 148 TYR ASN PHE GLU ASP VAL GLN VAL ALA ARG TYR LYS PRO SEQRES 5 A 148 GLY GLN TYR TYR TYR HIS HIS TYR ASP GLY ASP ASP CYS SEQRES 6 A 148 ASP ASP ALA CYS PRO LYS ASP GLN ARG LEU ALA THR LEU SEQRES 7 A 148 MET VAL TYR LEU LYS ALA PRO GLU GLU GLY GLY GLY GLY SEQRES 8 A 148 GLU THR ASP PHE PRO THR LEU LYS THR LYS ILE LYS PRO SEQRES 9 A 148 LYS LYS GLY THR SER ILE PHE PHE TRP VAL ALA ASP PRO SEQRES 10 A 148 VAL THR ARG LYS LEU TYR LYS GLU THR LEU HIS ALA GLY SEQRES 11 A 148 LEU PRO VAL LYS SER GLY GLU LYS ILE ILE ALA ASN GLN SEQRES 12 A 148 TRP ILE ARG ALA VAL HET ZN A 1 1 HET MN A 2 1 HET AKG A 378 14 SSBOND 1 CYS A 33 CYS A 115 SSBOND 2 CYS A 144 CYS A 148 ATOM 1 N GLY A 31 -25.536 5.471 4.968 1.00 45.17 N ATOM 2 CA GLY A 31 -25.646 6.643 4.109 1.00 32.70 C ATOM 3 C GLY A 31 -24.546 7.655 4.338 1.00 29.33 C ATOM 4 O GLY A 31 -23.827 7.610 5.346 1.00 27.13 O ATOM 5 HN3 GLY A 31 -25.583 5.767 5.964 1.00 0.00 H ATOM 6 HN2 GLY A 31 -24.629 4.995 4.789 1.00 0.00 H ATOM 7 HN1 GLY A 31 -26.318 4.817 4.762 1.00 0.00 H ATOM 8 N VAL A 32 -24.418 8.601 3.412 1.00 19.30 N ATOM 9 CA VAL A 32 -23.399 9.631 3.537 1.00 16.01 C ATOM 10 C VAL A 32 -23.616 10.462 4.817 1.00 15.31 C ATOM 11 O VAL A 32 -24.754 10.641 5.294 1.00 17.88 O ATOM 12 CB VAL A 32 -23.345 10.517 2.239 1.00 13.46 C ATOM 13 CG1 VAL A 32 -24.572 11.455 2.054 1.00 15.16 C ATOM 14 CG2 VAL A 32 -22.085 11.297 2.171 1.00 13.65 C ATOM 15 H VAL A 32 -25.054 8.604 2.589 1.00 0.00 H ATOM 16 N CYS A 33 -22.512 10.970 5.360 1.00 18.58 N ATOM 17 CA CYS A 33 -22.527 11.764 6.599 1.00 18.89 C ATOM 18 C CYS A 33 -23.580 12.885 6.637 1.00 20.08 C ATOM 19 O CYS A 33 -23.470 13.843 5.883 1.00 17.80 O ATOM 20 CB CYS A 33 -21.154 12.377 6.814 1.00 23.94 C ATOM 21 SG CYS A 33 -20.999 13.194 8.412 1.00 21.81 S ATOM 22 H CYS A 33 -21.601 10.799 4.889 1.00 0.00 H ATOM 23 N ASP A 34 -24.592 12.739 7.503 1.00 20.39 N ATOM 24 CA ASP A 34 -25.721 13.686 7.608 1.00 21.46 C ATOM 25 C ASP A 34 -26.476 14.000 6.304 1.00 17.78 C ATOM 26 O ASP A 34 -27.168 15.016 6.198 1.00 20.17 O ATOM 27 CB ASP A 34 -25.227 14.991 8.188 1.00 23.95 C ATOM 28 CG ASP A 34 -24.638 14.822 9.559 1.00 23.63 C ATOM 29 OD1 ASP A 34 -25.101 13.929 10.284 1.00 27.03 O ATOM 30 OD2 ASP A 34 -23.720 15.603 9.855 1.00 27.89 O ATOM 31 H ASP A 34 -24.582 11.914 8.136 1.00 0.00 H ATOM 32 N GLY A 35 -26.386 13.103 5.335 1.00 17.66 N ATOM 33 CA GLY A 35 -26.967 13.316 4.012 1.00 18.78 C ATOM 34 C GLY A 35 -26.359 14.421 3.156 1.00 16.00 C ATOM 35 O GLY A 35 -26.884 14.743 2.088 1.00 19.65 O ATOM 36 H GLY A 35 -25.882 12.213 5.523 1.00 0.00 H ATOM 37 N LYS A 36 -25.235 14.977 3.593 1.00 14.30 N ATOM 38 CA LYS A 36 -24.628 16.109 2.927 1.00 12.64 C ATOM 39 C LYS A 36 -23.491 15.662 2.000 1.00 14.39 C ATOM 40 O LYS A 36 -22.320 15.584 2.386 1.00 13.73 O ATOM 41 CB LYS A 36 -24.121 17.113 3.967 1.00 16.45 C ATOM 42 CG LYS A 36 -25.226 17.690 4.902 1.00 18.84 C ATOM 43 CD LYS A 36 -24.660 18.658 5.897 1.00 19.31 C ATOM 44 CE LYS A 36 -25.715 19.289 6.814 1.00 23.26 C ATOM 45 NZ LYS A 36 -25.068 20.184 7.847 1.00 25.83 N ATOM 46 HZ1 LYS A 36 -24.412 19.623 8.428 1.00 0.00 H ATOM 47 HZ2 LYS A 36 -24.545 20.944 7.367 1.00 0.00 H ATOM 48 HZ3 LYS A 36 -25.804 20.598 8.454 1.00 0.00 H ATOM 49 H LYS A 36 -24.777 14.586 4.441 1.00 0.00 H ATOM 50 N TYR A 37 -23.810 15.318 0.770 1.00 11.96 N ATOM 51 CA TYR A 37 -22.751 14.855 -0.153 1.00 12.25 C ATOM 52 C TYR A 37 -21.659 15.896 -0.433 1.00 12.44 C ATOM 53 O TYR A 37 -20.505 15.543 -0.637 1.00 10.91 O ATOM 54 CB TYR A 37 -23.394 14.372 -1.486 1.00 11.68 C ATOM 55 CG TYR A 37 -24.122 13.052 -1.395 1.00 12.21 C ATOM 56 CD1 TYR A 37 -23.427 11.845 -1.367 1.00 12.03 C ATOM 57 CD2 TYR A 37 -25.520 13.004 -1.348 1.00 14.13 C ATOM 58 CE1 TYR A 37 -24.099 10.643 -1.284 1.00 14.53 C ATOM 59 CE2 TYR A 37 -26.182 11.797 -1.293 1.00 16.79 C ATOM 60 CZ TYR A 37 -25.472 10.639 -1.270 1.00 17.79 C ATOM 61 OH TYR A 37 -26.123 9.439 -1.194 1.00 20.72 O ATOM 62 HH TYR A 37 -26.659 9.408 -0.362 1.00 0.00 H ATOM 63 H TYR A 37 -24.798 15.371 0.450 1.00 0.00 H ATOM 64 N TYR A 38 -22.034 17.181 -0.432 1.00 12.37 N ATOM 65 CA TYR A 38 -21.104 18.315 -0.621 1.00 12.04 C ATOM 66 C TYR A 38 -21.556 19.476 0.245 1.00 12.19 C ATOM 67 O TYR A 38 -22.726 19.519 0.644 1.00 13.22 O ATOM 68 CB TYR A 38 -21.034 18.768 -2.094 1.00 11.02 C ATOM 69 CG TYR A 38 -22.366 19.281 -2.576 1.00 13.53 C ATOM 70 CD1 TYR A 38 -22.779 20.555 -2.288 1.00 23.71 C ATOM 71 CD2 TYR A 38 -23.221 18.450 -3.263 1.00 19.91 C ATOM 72 CE1 TYR A 38 -24.033 21.015 -2.706 1.00 19.43 C ATOM 73 CE2 TYR A 38 -24.471 18.887 -3.704 1.00 21.47 C ATOM 74 CZ TYR A 38 -24.868 20.181 -3.423 1.00 19.39 C ATOM 75 OH TYR A 38 -26.161 20.562 -3.845 1.00 22.35 O ATOM 76 HH TYR A 38 -26.327 21.504 -3.588 1.00 0.00 H ATOM 77 H TYR A 38 -23.042 17.395 -0.289 1.00 0.00 H ATOM 78 N GLU A 39 -20.602 20.323 0.615 1.00 12.21 N ATOM 79 CA GLU A 39 -20.844 21.587 1.289 1.00 12.61 C ATOM 80 C GLU A 39 -19.939 22.616 0.666 1.00 12.88 C ATOM 81 O GLU A 39 -18.735 22.365 0.406 1.00 13.25 O ATOM 82 CB GLU A 39 -20.584 21.468 2.783 1.00 15.15 C ATOM 83 CG GLU A 39 -21.470 20.472 3.467 1.00 16.12 C ATOM 84 CD GLU A 39 -21.200 20.341 4.952 1.00 17.27 C ATOM 85 OE1 GLU A 39 -21.309 21.341 5.687 1.00 18.76 O ATOM 86 OE2 GLU A 39 -20.937 19.220 5.391 1.00 18.07 O ATOM 87 H GLU A 39 -19.616 20.064 0.408 1.00 0.00 H ATOM 88 N LYS A 40 -20.480 23.833 0.540 1.00 13.29 N ATOM 89 CA LYS A 40 -19.743 24.957 -0.022 1.00 13.51 C ATOM 90 C LYS A 40 -19.458 25.952 1.072 1.00 10.98 C ATOM 91 O LYS A 40 -20.356 26.265 1.852 1.00 13.82 O ATOM 92 CB LYS A 40 -20.544 25.612 -1.182 1.00 13.65 C ATOM 93 CG LYS A 40 -19.853 26.835 -1.876 1.00 12.65 C ATOM 94 CD LYS A 40 -20.708 27.460 -2.962 1.00 15.90 C ATOM 95 CE LYS A 40 -21.611 28.522 -2.387 1.00 22.65 C ATOM 96 NZ LYS A 40 -22.302 29.218 -3.501 1.00 29.14 N ATOM 97 HZ1 LYS A 40 -21.595 29.656 -4.126 1.00 0.00 H ATOM 98 HZ2 LYS A 40 -22.865 28.531 -4.041 1.00 0.00 H ATOM 99 HZ3 LYS A 40 -22.928 29.953 -3.114 1.00 0.00 H ATOM 100 H LYS A 40 -21.460 23.982 0.854 1.00 0.00 H ATOM 101 N ILE A 41 -18.223 26.440 1.152 1.00 14.41 N ATOM 102 CA ILE A 41 -17.842 27.440 2.131 1.00 13.99 C ATOM 103 C ILE A 41 -17.260 28.663 1.444 1.00 13.26 C ATOM 104 O ILE A 41 -16.161 28.609 0.916 1.00 13.20 O ATOM 105 CB ILE A 41 -16.845 26.869 3.125 1.00 17.50 C ATOM 106 CG1 ILE A 41 -17.335 25.541 3.735 1.00 22.23 C ATOM 107 CG2 ILE A 41 -16.533 27.913 4.229 1.00 22.39 C ATOM 108 CD1 ILE A 41 -16.172 24.750 4.406 1.00 25.38 C ATOM 109 H ILE A 41 -17.503 26.091 0.487 1.00 0.00 H ATOM 110 N ASP A 42 -17.966 29.788 1.463 1.00 14.15 N ATOM 111 CA ASP A 42 -17.371 31.019 0.931 1.00 13.69 C ATOM 112 C ASP A 42 -16.318 31.590 1.902 1.00 13.96 C ATOM 113 O ASP A 42 -16.469 31.457 3.103 1.00 17.85 O ATOM 114 CB ASP A 42 -18.453 32.045 0.668 1.00 19.41 C ATOM 115 CG ASP A 42 -19.308 31.682 -0.507 1.00 24.84 C ATOM 116 OD1 ASP A 42 -18.793 31.174 -1.534 1.00 20.36 O ATOM 117 OD2 ASP A 42 -20.522 31.920 -0.408 1.00 27.63 O ATOM 118 H ASP A 42 -18.931 29.796 1.851 1.00 0.00 H ATOM 119 N GLY A 43 -15.288 32.232 1.363 1.00 16.61 N ATOM 120 CA GLY A 43 -14.232 32.828 2.150 1.00 18.67 C ATOM 121 C GLY A 43 -13.386 31.883 2.961 1.00 17.82 C ATOM 122 O GLY A 43 -12.793 32.275 3.968 1.00 21.90 O ATOM 123 H GLY A 43 -15.239 32.310 0.327 1.00 0.00 H ATOM 124 N PHE A 44 -13.295 30.635 2.497 1.00 12.54 N ATOM 125 CA PHE A 44 -12.436 29.646 3.133 1.00 15.20 C ATOM 126 C PHE A 44 -10.991 30.155 3.172 1.00 12.02 C ATOM 127 O PHE A 44 -10.345 30.012 4.204 1.00 15.05 O ATOM 128 CB PHE A 44 -12.534 28.318 2.385 1.00 14.10 C ATOM 129 CG PHE A 44 -11.823 27.168 3.039 1.00 11.54 C ATOM 130 CD1 PHE A 44 -12.420 26.473 4.103 1.00 17.60 C ATOM 131 CD2 PHE A 44 -10.553 26.778 2.635 1.00 12.29 C ATOM 132 CE1 PHE A 44 -11.761 25.385 4.696 1.00 16.07 C ATOM 133 CE2 PHE A 44 -9.896 25.719 3.232 1.00 14.56 C ATOM 134 CZ PHE A 44 -10.494 25.024 4.275 1.00 17.28 C ATOM 135 H PHE A 44 -13.851 30.362 1.661 1.00 0.00 H ATOM 136 N LEU A 45 -10.502 30.713 2.059 1.00 13.62 N ATOM 137 CA LEU A 45 -9.243 31.501 2.062 1.00 15.81 C ATOM 138 C LEU A 45 -9.521 32.928 1.739 1.00 13.70 C ATOM 139 O LEU A 45 -10.439 33.191 0.963 1.00 14.41 O ATOM 140 CB LEU A 45 -8.229 30.973 1.041 1.00 12.71 C ATOM 141 CG LEU A 45 -7.616 29.591 1.287 1.00 15.19 C ATOM 142 CD1 LEU A 45 -6.620 29.217 0.176 1.00 16.10 C ATOM 143 CD2 LEU A 45 -6.967 29.494 2.686 1.00 18.89 C ATOM 144 H LEU A 45 -11.019 30.591 1.165 1.00 0.00 H ATOM 145 N SER A 46 -8.712 33.867 2.257 1.00 13.69 N ATOM 146 CA SER A 46 -8.832 35.241 1.770 1.00 14.28 C ATOM 147 C SER A 46 -8.325 35.386 0.336 1.00 15.43 C ATOM 148 O SER A 46 -7.586 34.534 -0.184 1.00 14.36 O ATOM 149 CB SER A 46 -8.078 36.204 2.652 1.00 15.18 C ATOM 150 OG SER A 46 -6.678 36.078 2.415 1.00 17.83 O ATOM 151 HG SER A 46 -6.188 36.712 2.996 1.00 0.00 H ATOM 152 H SER A 46 -8.015 33.622 2.989 1.00 0.00 H ATOM 153 N ASP A 47 -8.711 36.473 -0.297 1.00 15.62 N ATOM 154 CA ASP A 47 -8.248 36.754 -1.651 1.00 17.25 C ATOM 155 C ASP A 47 -6.700 36.848 -1.688 1.00 15.11 C ATOM 156 O ASP A 47 -6.066 36.296 -2.588 1.00 14.25 O ATOM 157 CB ASP A 47 -8.859 38.045 -2.208 1.00 24.53 C ATOM 158 CG ASP A 47 -10.335 37.899 -2.626 1.00 24.69 C ATOM 159 OD1 ASP A 47 -10.967 36.854 -2.385 1.00 20.25 O ATOM 160 OD2 ASP A 47 -10.876 38.855 -3.228 1.00 25.86 O ATOM 161 H ASP A 47 -9.355 37.140 0.174 1.00 0.00 H ATOM 162 N ILE A 48 -6.080 37.510 -0.728 1.00 16.06 N ATOM 163 CA ILE A 48 -4.625 37.672 -0.853 1.00 15.87 C ATOM 164 C ILE A 48 -3.936 36.311 -0.559 1.00 16.04 C ATOM 165 O ILE A 48 -2.924 36.023 -1.208 1.00 16.24 O ATOM 166 CB ILE A 48 -4.083 38.829 -0.014 1.00 28.40 C ATOM 167 CG1 ILE A 48 -4.016 38.470 1.441 1.00 28.19 C ATOM 168 CG2 ILE A 48 -4.890 40.092 -0.249 1.00 29.69 C ATOM 169 CD1 ILE A 48 -2.648 37.997 1.786 1.00 29.86 C ATOM 170 H ILE A 48 -6.600 37.901 0.083 1.00 0.00 H ATOM 171 N GLU A 49 -4.492 35.464 0.318 1.00 16.95 N ATOM 172 CA GLU A 49 -3.988 34.090 0.526 1.00 14.85 C ATOM 173 C GLU A 49 -4.051 33.269 -0.765 1.00 13.14 C ATOM 174 O GLU A 49 -3.084 32.560 -1.089 1.00 13.28 O ATOM 175 CB GLU A 49 -4.771 33.372 1.632 1.00 14.69 C ATOM 176 CG GLU A 49 -4.431 33.851 3.042 1.00 15.93 C ATOM 177 CD GLU A 49 -5.408 33.387 4.087 1.00 23.20 C ATOM 178 OE1 GLU A 49 -6.526 32.922 3.744 1.00 20.14 O ATOM 179 OE2 GLU A 49 -5.055 33.490 5.283 1.00 30.12 O ATOM 180 H GLU A 49 -5.310 35.786 0.874 1.00 0.00 H ATOM 181 N CYS A 50 -5.164 33.346 -1.523 1.00 10.75 N ATOM 182 CA CYS A 50 -5.206 32.699 -2.829 1.00 9.90 C ATOM 183 C CYS A 50 -4.102 33.176 -3.772 1.00 11.77 C ATOM 184 O CYS A 50 -3.453 32.374 -4.452 1.00 14.30 O ATOM 185 CB CYS A 50 -6.586 32.887 -3.462 1.00 9.85 C ATOM 186 SG CYS A 50 -7.990 32.134 -2.596 1.00 13.04 S ATOM 187 H CYS A 50 -5.994 33.868 -1.175 1.00 0.00 H ATOM 188 N ASP A 51 -3.847 34.482 -3.790 1.00 13.18 N ATOM 189 CA ASP A 51 -2.852 35.011 -4.709 1.00 11.69 C ATOM 190 C ASP A 51 -1.446 34.569 -4.310 1.00 11.37 C ATOM 191 O ASP A 51 -0.638 34.259 -5.184 1.00 13.95 O ATOM 192 CB ASP A 51 -2.914 36.539 -4.757 1.00 11.21 C ATOM 193 CG ASP A 51 -4.170 37.067 -5.455 1.00 22.61 C ATOM 194 OD1 ASP A 51 -4.844 36.353 -6.253 1.00 25.79 O ATOM 195 OD2 ASP A 51 -4.455 38.253 -5.206 1.00 27.35 O ATOM 196 H ASP A 51 -4.358 35.122 -3.149 1.00 0.00 H ATOM 197 N VAL A 52 -1.171 34.522 -3.015 1.00 15.67 N ATOM 198 CA VAL A 52 0.131 34.096 -2.533 1.00 16.80 C ATOM 199 C VAL A 52 0.350 32.631 -2.977 1.00 13.84 C ATOM 200 O VAL A 52 1.429 32.255 -3.424 1.00 15.65 O ATOM 201 CB VAL A 52 0.218 34.280 -1.007 1.00 23.74 C ATOM 202 CG1 VAL A 52 1.412 33.567 -0.416 1.00 27.04 C ATOM 203 CG2 VAL A 52 0.260 35.785 -0.680 1.00 29.63 C ATOM 204 H VAL A 52 -1.903 34.796 -2.329 1.00 0.00 H ATOM 205 N LEU A 53 -0.702 31.828 -2.905 1.00 13.80 N ATOM 206 CA LEU A 53 -0.556 30.418 -3.259 1.00 13.71 C ATOM 207 C LEU A 53 -0.389 30.268 -4.751 1.00 13.74 C ATOM 208 O LEU A 53 0.470 29.504 -5.201 1.00 12.92 O ATOM 209 CB LEU A 53 -1.741 29.570 -2.748 1.00 12.76 C ATOM 210 CG LEU A 53 -1.659 28.045 -2.996 1.00 11.14 C ATOM 211 CD1 LEU A 53 -0.313 27.475 -2.559 1.00 13.77 C ATOM 212 CD2 LEU A 53 -2.815 27.285 -2.324 1.00 13.65 C ATOM 213 H LEU A 53 -1.624 32.199 -2.599 1.00 0.00 H ATOM 214 N ILE A 54 -1.170 30.993 -5.563 1.00 12.13 N ATOM 215 CA ILE A 54 -0.954 30.955 -6.990 1.00 10.95 C ATOM 216 C ILE A 54 0.477 31.298 -7.356 1.00 13.66 C ATOM 217 O ILE A 54 1.086 30.636 -8.182 1.00 12.47 O ATOM 218 CB ILE A 54 -1.912 31.929 -7.695 1.00 13.25 C ATOM 219 CG1 ILE A 54 -3.367 31.463 -7.539 1.00 14.23 C ATOM 220 CG2 ILE A 54 -1.579 32.093 -9.156 1.00 10.45 C ATOM 221 CD1 ILE A 54 -4.416 32.533 -7.829 1.00 14.37 C ATOM 222 H ILE A 54 -1.930 31.582 -5.166 1.00 0.00 H ATOM 223 N ASN A 55 1.006 32.388 -6.796 1.00 12.97 N ATOM 224 CA ASN A 55 2.377 32.785 -7.122 1.00 13.80 C ATOM 225 C ASN A 55 3.403 31.723 -6.724 1.00 12.69 C ATOM 226 O ASN A 55 4.323 31.497 -7.484 1.00 14.67 O ATOM 227 CB ASN A 55 2.678 34.163 -6.492 1.00 14.25 C ATOM 228 CG ASN A 55 1.880 35.260 -7.172 1.00 15.32 C ATOM 229 OD1 ASN A 55 1.611 35.190 -8.374 1.00 18.48 O ATOM 230 ND2 ASN A 55 1.425 36.233 -6.391 1.00 16.44 N ATOM 231 HD22 ASN A 55 1.678 36.252 -5.382 1.00 0.00 H ATOM 232 HD21 ASN A 55 0.816 36.976 -6.788 1.00 0.00 H ATOM 233 H ASN A 55 0.445 32.955 -6.129 1.00 0.00 H ATOM 234 N ALA A 56 3.204 31.029 -5.593 1.00 10.64 N ATOM 235 CA ALA A 56 4.103 29.972 -5.145 1.00 12.02 C ATOM 236 C ALA A 56 4.017 28.818 -6.135 1.00 13.85 C ATOM 237 O ALA A 56 5.050 28.249 -6.488 1.00 15.89 O ATOM 238 CB ALA A 56 3.767 29.512 -3.714 1.00 14.04 C ATOM 239 H ALA A 56 2.372 31.255 -5.011 1.00 0.00 H ATOM 240 N ALA A 57 2.816 28.496 -6.614 1.00 11.59 N ATOM 241 CA ALA A 57 2.661 27.419 -7.597 1.00 12.66 C ATOM 242 C ALA A 57 3.318 27.777 -8.987 1.00 11.93 C ATOM 243 O ALA A 57 3.954 26.946 -9.614 1.00 12.15 O ATOM 244 CB ALA A 57 1.157 27.071 -7.756 1.00 10.52 C ATOM 245 H ALA A 57 1.977 29.016 -6.286 1.00 0.00 H ATOM 246 N ILE A 58 3.179 29.024 -9.428 1.00 12.04 N ATOM 247 CA ILE A 58 3.820 29.482 -10.666 1.00 13.23 C ATOM 248 C ILE A 58 5.334 29.339 -10.517 1.00 12.67 C ATOM 249 O ILE A 58 6.001 28.867 -11.447 1.00 14.39 O ATOM 250 CB ILE A 58 3.388 30.916 -10.981 1.00 14.37 C ATOM 251 CG1 ILE A 58 1.920 30.935 -11.446 1.00 17.17 C ATOM 252 CG2 ILE A 58 4.270 31.554 -12.074 1.00 15.84 C ATOM 253 CD1 ILE A 58 1.329 32.348 -11.501 1.00 20.48 C ATOM 254 H ILE A 58 2.600 29.693 -8.881 1.00 0.00 H ATOM 255 N LYS A 59 5.876 29.714 -9.358 1.00 15.73 N ATOM 256 CA LYS A 59 7.331 29.583 -9.134 1.00 16.28 C ATOM 257 C LYS A 59 7.815 28.121 -9.191 1.00 16.86 C ATOM 258 O LYS A 59 8.995 27.887 -9.480 1.00 21.47 O ATOM 259 CB LYS A 59 7.731 30.246 -7.808 1.00 17.55 C ATOM 260 CG LYS A 59 7.714 31.790 -7.900 1.00 22.39 C ATOM 261 CD LYS A 59 8.603 32.437 -6.830 1.00 38.79 C ATOM 262 CE LYS A 59 8.592 33.964 -6.910 1.00 44.16 C ATOM 263 NZ LYS A 59 7.551 34.544 -6.010 1.00 44.79 N ATOM 264 HZ1 LYS A 59 6.615 34.190 -6.291 1.00 0.00 H ATOM 265 HZ2 LYS A 59 7.748 34.264 -5.028 1.00 0.00 H ATOM 266 HZ3 LYS A 59 7.568 35.581 -6.086 1.00 0.00 H ATOM 267 H LYS A 59 5.271 30.101 -8.606 1.00 0.00 H ATOM 268 N LYS A 60 6.909 27.166 -8.969 1.00 13.90 N ATOM 269 CA LYS A 60 7.208 25.733 -9.076 1.00 15.42 C ATOM 270 C LYS A 60 6.979 25.159 -10.471 1.00 12.63 C ATOM 271 O LYS A 60 7.150 23.944 -10.679 1.00 14.08 O ATOM 272 CB LYS A 60 6.375 24.953 -8.051 1.00 16.59 C ATOM 273 CG LYS A 60 6.813 25.207 -6.643 1.00 15.62 C ATOM 274 CD LYS A 60 5.681 24.935 -5.638 1.00 16.84 C ATOM 275 CE LYS A 60 5.185 23.493 -5.566 1.00 15.38 C ATOM 276 NZ LYS A 60 6.165 22.569 -4.975 1.00 15.69 N ATOM 277 HZ1 LYS A 60 7.033 22.574 -5.547 1.00 0.00 H ATOM 278 HZ2 LYS A 60 6.386 22.874 -4.005 1.00 0.00 H ATOM 279 HZ3 LYS A 60 5.766 21.609 -4.956 1.00 0.00 H ATOM 280 H LYS A 60 5.944 27.451 -8.707 1.00 0.00 H ATOM 281 N GLY A 61 6.560 25.999 -11.415 1.00 15.32 N ATOM 282 CA GLY A 61 6.454 25.611 -12.801 1.00 17.86 C ATOM 283 C GLY A 61 5.042 25.384 -13.303 1.00 18.47 C ATOM 284 O GLY A 61 4.872 24.805 -14.394 1.00 30.00 O ATOM 285 H GLY A 61 6.300 26.969 -11.144 1.00 0.00 H ATOM 286 N LEU A 62 4.040 25.840 -12.555 1.00 16.51 N ATOM 287 CA LEU A 62 2.636 25.497 -12.901 1.00 20.27 C ATOM 288 C LEU A 62 2.311 25.794 -14.354 1.00 30.58 C ATOM 289 O LEU A 62 1.596 25.018 -14.985 1.00 32.30 O ATOM 290 CB LEU A 62 1.632 26.226 -11.997 1.00 14.63 C ATOM 291 CG LEU A 62 0.143 26.025 -12.262 1.00 15.26 C ATOM 292 CD1 LEU A 62 -0.218 24.573 -12.023 1.00 21.20 C ATOM 293 CD2 LEU A 62 -0.714 26.956 -11.383 1.00 20.46 C ATOM 294 H LEU A 62 4.240 26.437 -11.727 1.00 0.00 H ATOM 295 N ILE A 63 2.811 26.904 -14.895 1.00 24.45 N ATOM 296 CA ILE A 63 2.398 27.285 -16.252 1.00 30.77 C ATOM 297 C ILE A 63 3.299 26.633 -17.312 1.00 35.24 C ATOM 298 O ILE A 63 4.465 26.980 -17.448 1.00 39.45 O ATOM 299 CB ILE A 63 2.352 28.811 -16.377 1.00 30.36 C ATOM 300 CG1 ILE A 63 1.252 29.353 -15.460 1.00 30.35 C ATOM 301 CG2 ILE A 63 2.027 29.217 -17.810 1.00 40.60 C ATOM 302 CD1 ILE A 63 1.180 30.843 -15.378 1.00 36.55 C ATOM 303 H ILE A 63 3.484 27.492 -14.364 1.00 0.00 H TER 304 ILE A 63 ATOM 305 N PRO A 80 -9.255 13.437 -25.044 1.00 45.08 N ATOM 306 CA PRO A 80 -10.676 13.701 -25.292 1.00 45.68 C ATOM 307 C PRO A 80 -11.465 13.433 -24.026 1.00 48.96 C ATOM 308 O PRO A 80 -12.259 14.260 -23.543 1.00 42.94 O ATOM 309 CB PRO A 80 -11.032 12.722 -26.419 1.00 43.14 C ATOM 310 CG PRO A 80 -9.747 11.935 -26.724 1.00 46.86 C ATOM 311 CD PRO A 80 -8.858 12.112 -25.539 1.00 48.78 C ATOM 312 HN2 PRO A 80 -9.076 13.483 -24.021 1.00 0.00 H ATOM 313 HN1 PRO A 80 -8.687 14.162 -25.527 1.00 0.00 H ATOM 314 N LYS A 81 -11.218 12.266 -23.455 1.00 49.32 N ATOM 315 CA LYS A 81 -11.780 11.970 -22.159 1.00 48.75 C ATOM 316 C LYS A 81 -11.140 12.850 -21.108 1.00 50.00 C ATOM 317 O LYS A 81 -11.380 14.057 -21.084 1.00 53.78 O ATOM 318 CB LYS A 81 -11.607 10.502 -21.813 1.00 52.43 C ATOM 319 CG LYS A 81 -12.925 9.759 -21.724 1.00 52.24 C ATOM 320 CD LYS A 81 -13.789 10.020 -22.927 1.00 48.04 C ATOM 321 CE LYS A 81 -14.844 8.939 -23.069 1.00 52.35 C ATOM 322 NZ LYS A 81 -15.285 8.820 -24.484 1.00 53.18 N ATOM 323 HZ1 LYS A 81 -15.686 9.726 -24.798 1.00 0.00 H ATOM 324 HZ2 LYS A 81 -14.469 8.575 -25.081 1.00 0.00 H ATOM 325 HZ3 LYS A 81 -16.007 8.075 -24.559 1.00 0.00 H ATOM 326 H LYS A 81 -10.621 11.564 -23.938 1.00 0.00 H ATOM 327 N SER A 82 -10.283 12.255 -20.288 1.00 46.88 N ATOM 328 CA SER A 82 -10.088 12.702 -18.913 1.00 42.98 C ATOM 329 C SER A 82 -9.483 14.100 -18.717 1.00 39.27 C ATOM 330 O SER A 82 -10.109 15.122 -19.057 1.00 32.33 O ATOM 331 CB SER A 82 -9.229 11.670 -18.166 1.00 40.67 C ATOM 332 OG SER A 82 -10.005 10.541 -17.781 1.00 48.59 O ATOM 333 HG SER A 82 -10.739 10.834 -17.185 1.00 0.00 H ATOM 334 H SER A 82 -9.733 11.444 -20.637 1.00 0.00 H ATOM 335 N ARG A 83 -8.290 14.136 -18.120 1.00 36.82 N ATOM 336 CA ARG A 83 -7.782 15.365 -17.537 1.00 32.77 C ATOM 337 C ARG A 83 -6.879 16.114 -18.498 1.00 34.58 C ATOM 338 O ARG A 83 -5.942 15.558 -19.090 1.00 33.88 O ATOM 339 CB ARG A 83 -7.030 15.073 -16.250 1.00 33.23 C ATOM 340 CG ARG A 83 -6.649 16.330 -15.480 1.00 33.02 C ATOM 341 CD ARG A 83 -5.846 15.975 -14.248 1.00 31.82 C ATOM 342 NE ARG A 83 -4.569 15.338 -14.597 1.00 34.07 N ATOM 343 CZ ARG A 83 -3.774 14.723 -13.720 1.00 38.50 C ATOM 344 NH1 ARG A 83 -4.138 14.652 -12.442 1.00 48.55 N ATOM 345 NH2 ARG A 83 -2.623 14.173 -14.119 1.00 41.91 N ATOM 346 HE ARG A 83 -4.265 15.368 -15.591 1.00 0.00 H ATOM 347 HH12 ARG A 83 -3.524 14.174 -11.752 1.00 0.00 H ATOM 348 HH11 ARG A 83 -5.037 15.074 -12.133 1.00 0.00 H ATOM 349 HH22 ARG A 83 -2.008 13.695 -13.429 1.00 0.00 H ATOM 350 HH21 ARG A 83 -2.342 14.223 -15.119 1.00 0.00 H ATOM 351 H ARG A 83 -7.715 13.271 -18.072 1.00 0.00 H ATOM 352 N ASN A 84 -7.177 17.398 -18.620 1.00 27.17 N ATOM 353 CA ASN A 84 -6.492 18.294 -19.522 1.00 26.93 C ATOM 354 C ASN A 84 -6.259 19.563 -18.720 1.00 30.29 C ATOM 355 O ASN A 84 -7.084 20.474 -18.762 1.00 29.75 O ATOM 356 CB ASN A 84 -7.355 18.556 -20.770 1.00 37.22 C ATOM 357 CG ASN A 84 -6.692 19.470 -21.768 1.00 39.88 C ATOM 358 OD1 ASN A 84 -5.468 19.568 -21.819 1.00 40.89 O ATOM 359 ND2 ASN A 84 -7.507 20.147 -22.584 1.00 42.07 N ATOM 360 HD22 ASN A 84 -8.537 20.031 -22.503 1.00 0.00 H ATOM 361 HD21 ASN A 84 -7.110 20.789 -23.300 1.00 0.00 H ATOM 362 H ASN A 84 -7.946 17.782 -18.035 1.00 0.00 H ATOM 363 N SER A 85 -5.173 19.560 -17.940 1.00 20.90 N ATOM 364 CA SER A 85 -4.782 20.642 -17.017 1.00 17.83 C ATOM 365 C SER A 85 -3.284 20.483 -16.704 1.00 19.04 C ATOM 366 O SER A 85 -2.663 19.485 -17.087 1.00 22.96 O ATOM 367 CB SER A 85 -5.588 20.623 -15.718 1.00 16.89 C ATOM 368 OG SER A 85 -5.323 19.441 -14.986 1.00 19.36 O ATOM 369 HG SER A 85 -5.853 19.446 -14.150 1.00 0.00 H ATOM 370 H SER A 85 -4.553 18.726 -17.988 1.00 0.00 H ATOM 371 N GLU A 86 -2.723 21.494 -16.051 1.00 18.57 N ATOM 372 CA GLU A 86 -1.337 21.490 -15.548 1.00 16.07 C ATOM 373 C GLU A 86 -1.440 21.355 -14.038 1.00 14.82 C ATOM 374 O GLU A 86 -2.414 21.833 -13.472 1.00 17.15 O ATOM 375 CB GLU A 86 -0.639 22.792 -15.928 1.00 26.16 C ATOM 376 CG GLU A 86 -0.427 22.954 -17.411 1.00 28.16 C ATOM 377 CD GLU A 86 -1.703 23.284 -18.154 1.00 37.55 C ATOM 378 OE1 GLU A 86 -2.415 24.266 -17.774 1.00 36.47 O ATOM 379 OE2 GLU A 86 -1.986 22.544 -19.128 1.00 42.94 O ATOM 380 H GLU A 86 -3.299 22.344 -15.883 1.00 0.00 H ATOM 381 N GLN A 87 -0.492 20.658 -13.410 1.00 17.14 N ATOM 382 CA GLN A 87 -0.502 20.459 -11.959 1.00 14.11 C ATOM 383 C GLN A 87 0.858 20.595 -11.281 1.00 13.62 C ATOM 384 O GLN A 87 1.901 20.315 -11.866 1.00 15.33 O ATOM 385 CB GLN A 87 -1.048 19.082 -11.606 1.00 15.02 C ATOM 386 CG GLN A 87 -2.416 18.773 -12.198 1.00 14.68 C ATOM 387 CD GLN A 87 -2.284 17.819 -13.344 1.00 32.69 C ATOM 388 OE1 GLN A 87 -1.612 16.796 -13.224 1.00 38.99 O ATOM 389 NE2 GLN A 87 -2.891 18.155 -14.473 1.00 29.49 N ATOM 390 HE22 GLN A 87 -3.448 19.032 -14.523 1.00 0.00 H ATOM 391 HE21 GLN A 87 -2.810 17.542 -15.309 1.00 0.00 H ATOM 392 H GLN A 87 0.280 20.242 -13.969 1.00 0.00 H ATOM 393 N THR A 88 0.846 20.990 -10.014 1.00 11.54 N ATOM 394 CA THR A 88 2.022 20.837 -9.181 1.00 12.92 C ATOM 395 C THR A 88 1.634 20.403 -7.770 1.00 11.99 C ATOM 396 O THR A 88 0.456 20.497 -7.384 1.00 15.28 O ATOM 397 CB THR A 88 2.862 22.137 -9.165 1.00 13.82 C ATOM 398 OG1 THR A 88 4.107 21.898 -8.519 1.00 16.86 O ATOM 399 CG2 THR A 88 2.121 23.317 -8.487 1.00 17.26 C ATOM 400 HG1 THR A 88 4.639 22.733 -8.512 1.00 0.00 H ATOM 401 H THR A 88 -0.016 21.414 -9.615 1.00 0.00 H ATOM 402 N TRP A 89 2.597 19.835 -7.052 1.00 12.93 N ATOM 403 CA TRP A 89 2.399 19.342 -5.678 1.00 14.70 C ATOM 404 C TRP A 89 3.227 20.071 -4.634 1.00 14.69 C ATOM 405 O TRP A 89 4.371 20.395 -4.884 1.00 14.83 O ATOM 406 CB TRP A 89 2.753 17.863 -5.559 1.00 14.13 C ATOM 407 CG TRP A 89 1.942 16.953 -6.427 1.00 17.92 C ATOM 408 CD1 TRP A 89 2.269 16.522 -7.678 1.00 22.05 C ATOM 409 CD2 TRP A 89 0.698 16.284 -6.078 1.00 16.38 C ATOM 410 NE1 TRP A 89 1.308 15.638 -8.141 1.00 28.60 N ATOM 411 CE2 TRP A 89 0.328 15.496 -7.188 1.00 27.65 C ATOM 412 CE3 TRP A 89 -0.119 16.275 -4.954 1.00 14.08 C ATOM 413 CZ2 TRP A 89 -0.845 14.731 -7.201 1.00 23.27 C ATOM 414 CZ3 TRP A 89 -1.294 15.504 -4.966 1.00 15.95 C ATOM 415 CH2 TRP A 89 -1.624 14.734 -6.065 1.00 20.82 C ATOM 416 HE1 TRP A 89 1.325 15.158 -9.063 1.00 0.00 H ATOM 417 H TRP A 89 3.538 19.733 -7.482 1.00 0.00 H ATOM 418 N PHE A 90 2.657 20.235 -3.441 1.00 11.64 N ATOM 419 CA PHE A 90 3.335 20.879 -2.315 1.00 11.86 C ATOM 420 C PHE A 90 3.652 19.855 -1.242 1.00 15.63 C ATOM 421 O PHE A 90 2.808 18.989 -0.909 1.00 13.18 O ATOM 422 CB PHE A 90 2.459 21.986 -1.725 1.00 12.87 C ATOM 423 CG PHE A 90 2.398 23.227 -2.564 1.00 11.90 C ATOM 424 CD1 PHE A 90 1.572 23.281 -3.646 1.00 10.68 C ATOM 425 CD2 PHE A 90 3.187 24.330 -2.295 1.00 11.90 C ATOM 426 CE1 PHE A 90 1.526 24.374 -4.466 1.00 10.59 C ATOM 427 CE2 PHE A 90 3.113 25.482 -3.107 1.00 13.32 C ATOM 428 CZ PHE A 90 2.270 25.490 -4.205 1.00 13.03 C ATOM 429 H PHE A 90 1.686 19.890 -3.304 1.00 0.00 H ATOM 430 N MET A 91 4.891 19.907 -0.747 1.00 13.05 N ATOM 431 CA MET A 91 5.298 19.123 0.402 1.00 15.06 C ATOM 432 C MET A 91 4.618 19.631 1.664 1.00 14.78 C ATOM 433 O MET A 91 4.227 20.802 1.724 1.00 16.71 O ATOM 434 CB MET A 91 6.804 19.158 0.582 1.00 16.10 C ATOM 435 CG MET A 91 7.585 18.630 -0.633 1.00 20.40 C ATOM 436 SD MET A 91 7.295 16.888 -0.955 1.00 21.18 S ATOM 437 CE MET A 91 6.230 16.902 -2.357 1.00 18.80 C ATOM 438 H MET A 91 5.588 20.531 -1.201 1.00 0.00 H ATOM 439 N PRO A 92 4.451 18.737 2.651 1.00 15.51 N ATOM 440 CA PRO A 92 3.951 19.142 3.968 1.00 22.47 C ATOM 441 C PRO A 92 4.807 20.291 4.493 1.00 20.79 C ATOM 442 O PRO A 92 6.042 20.236 4.380 1.00 18.25 O ATOM 443 CB PRO A 92 4.103 17.883 4.810 1.00 22.02 C ATOM 444 CG PRO A 92 4.084 16.743 3.822 1.00 21.98 C ATOM 445 CD PRO A 92 4.735 17.294 2.583 1.00 16.93 C ATOM 446 N GLY A 93 4.181 21.360 4.980 1.00 22.76 N ATOM 447 CA GLY A 93 4.934 22.469 5.546 1.00 27.20 C ATOM 448 C GLY A 93 5.696 23.369 4.579 1.00 21.06 C ATOM 449 O GLY A 93 6.408 24.273 4.998 1.00 19.94 O ATOM 450 H GLY A 93 3.142 21.403 4.956 1.00 0.00 H ATOM 451 N GLU A 94 5.500 23.172 3.268 1.00 22.36 N ATOM 452 CA GLU A 94 6.232 23.934 2.268 1.00 18.06 C ATOM 453 C GLU A 94 5.829 25.408 2.296 1.00 17.02 C ATOM 454 O GLU A 94 6.661 26.299 2.084 1.00 18.88 O ATOM 455 CB GLU A 94 5.997 23.343 0.855 1.00 12.98 C ATOM 456 CG GLU A 94 6.780 24.031 -0.218 1.00 12.90 C ATOM 457 CD GLU A 94 6.709 23.369 -1.565 1.00 14.59 C ATOM 458 OE1 GLU A 94 6.396 22.161 -1.616 1.00 16.64 O ATOM 459 OE2 GLU A 94 7.017 24.050 -2.585 1.00 15.28 O ATOM 460 H GLU A 94 4.809 22.459 2.959 1.00 0.00 H ATOM 461 N HIS A 95 4.538 25.639 2.532 1.00 16.91 N ATOM 462 CA HIS A 95 3.952 26.971 2.426 1.00 19.64 C ATOM 463 C HIS A 95 2.868 27.233 3.480 1.00 17.66 C ATOM 464 O HIS A 95 2.065 26.373 3.794 1.00 20.10 O ATOM 465 CB HIS A 95 3.390 27.162 1.034 1.00 26.71 C ATOM 466 CG HIS A 95 3.244 28.595 0.675 1.00 26.94 C ATOM 467 ND1 HIS A 95 2.271 29.399 1.228 1.00 28.52 N ATOM 468 CD2 HIS A 95 3.999 29.396 -0.110 1.00 28.75 C ATOM 469 CE1 HIS A 95 2.413 30.630 0.776 1.00 31.71 C ATOM 470 NE2 HIS A 95 3.450 30.655 -0.045 1.00 33.65 N ATOM 471 H HIS A 95 3.927 24.842 2.801 1.00 0.00 H ATOM 472 N GLU A 96 2.898 28.426 4.071 1.00 21.43 N ATOM 473 CA GLU A 96 1.963 28.750 5.119 1.00 16.86 C ATOM 474 C GLU A 96 0.494 28.690 4.674 1.00 14.11 C ATOM 475 O GLU A 96 -0.360 28.326 5.484 1.00 17.99 O ATOM 476 CB GLU A 96 2.278 30.148 5.713 1.00 22.93 C ATOM 477 CG GLU A 96 2.175 31.294 4.724 1.00 27.60 C ATOM 478 CD GLU A 96 0.821 32.003 4.745 1.00 33.74 C ATOM 479 OE1 GLU A 96 -0.034 31.637 5.579 1.00 40.65 O ATOM 480 OE2 GLU A 96 0.616 32.924 3.920 1.00 41.83 O ATOM 481 H GLU A 96 3.603 29.131 3.774 1.00 0.00 H ATOM 482 N VAL A 97 0.183 28.960 3.411 1.00 14.26 N ATOM 483 CA VAL A 97 -1.232 28.897 2.970 1.00 15.31 C ATOM 484 C VAL A 97 -1.671 27.423 2.879 1.00 15.64 C ATOM 485 O VAL A 97 -2.827 27.126 3.102 1.00 16.84 O ATOM 486 CB VAL A 97 -1.502 29.647 1.645 1.00 15.48 C ATOM 487 CG1 VAL A 97 -2.966 29.477 1.183 1.00 15.45 C ATOM 488 CG2 VAL A 97 -1.210 31.137 1.784 1.00 17.72 C ATOM 489 H VAL A 97 0.930 29.215 2.733 1.00 0.00 H ATOM 490 N ILE A 98 -0.757 26.517 2.533 1.00 17.45 N ATOM 491 CA ILE A 98 -1.078 25.078 2.617 1.00 19.63 C ATOM 492 C ILE A 98 -1.356 24.639 4.034 1.00 18.82 C ATOM 493 O ILE A 98 -2.329 23.896 4.304 1.00 18.51 O ATOM 494 CB ILE A 98 0.048 24.231 2.060 1.00 25.66 C ATOM 495 CG1 ILE A 98 0.347 24.625 0.597 1.00 28.28 C ATOM 496 CG2 ILE A 98 -0.304 22.718 2.213 1.00 31.28 C ATOM 497 CD1 ILE A 98 -0.612 24.163 -0.405 1.00 26.31 C ATOM 498 H ILE A 98 0.181 26.823 2.204 1.00 0.00 H ATOM 499 N ASP A 99 -0.487 25.063 4.951 1.00 20.51 N ATOM 500 CA ASP A 99 -0.710 24.851 6.360 1.00 21.84 C ATOM 501 C ASP A 99 -2.106 25.294 6.766 1.00 17.59 C ATOM 502 O ASP A 99 -2.770 24.614 7.520 1.00 21.50 O ATOM 503 CB ASP A 99 0.318 25.605 7.204 1.00 19.11 C ATOM 504 CG ASP A 99 1.717 25.037 7.085 1.00 27.27 C ATOM 505 OD1 ASP A 99 1.869 23.811 6.874 1.00 26.60 O ATOM 506 OD2 ASP A 99 2.669 25.827 7.258 1.00 31.35 O ATOM 507 H ASP A 99 0.374 25.559 4.643 1.00 0.00 H ATOM 508 N LYS A 100 -2.549 26.462 6.304 1.00 16.62 N ATOM 509 CA LYS A 100 -3.881 26.939 6.676 1.00 17.04 C ATOM 510 C LYS A 100 -5.031 26.118 6.086 1.00 14.52 C ATOM 511 O LYS A 100 -5.993 25.813 6.760 1.00 17.28 O ATOM 512 CB LYS A 100 -4.034 28.406 6.262 1.00 22.01 C ATOM 513 CG LYS A 100 -5.408 28.985 6.576 1.00 28.74 C ATOM 514 CD LYS A 100 -5.450 30.486 6.312 1.00 30.63 C ATOM 515 CE LYS A 100 -6.776 31.091 6.766 1.00 30.65 C ATOM 516 NZ LYS A 100 -6.616 32.551 7.125 1.00 39.14 N ATOM 517 HZ1 LYS A 100 -5.926 32.643 7.898 1.00 0.00 H ATOM 518 HZ2 LYS A 100 -6.278 33.076 6.293 1.00 0.00 H ATOM 519 HZ3 LYS A 100 -7.534 32.934 7.430 1.00 0.00 H ATOM 520 H LYS A 100 -1.948 27.035 5.678 1.00 0.00 H ATOM 521 N ILE A 101 -4.912 25.755 4.819 1.00 16.58 N ATOM 522 CA ILE A 101 -5.876 24.811 4.218 1.00 13.30 C ATOM 523 C ILE A 101 -6.029 23.599 5.108 1.00 14.74 C ATOM 524 O ILE A 101 -7.147 23.205 5.440 1.00 15.93 O ATOM 525 CB ILE A 101 -5.458 24.411 2.812 1.00 13.43 C ATOM 526 CG1 ILE A 101 -5.563 25.632 1.851 1.00 14.77 C ATOM 527 CG2 ILE A 101 -6.357 23.254 2.274 1.00 15.45 C ATOM 528 CD1 ILE A 101 -4.985 25.418 0.452 1.00 17.24 C ATOM 529 H ILE A 101 -4.135 26.137 4.243 1.00 0.00 H ATOM 530 N GLN A 102 -4.910 23.031 5.541 1.00 14.10 N ATOM 531 CA GLN A 102 -4.979 21.757 6.260 1.00 17.64 C ATOM 532 C GLN A 102 -5.531 21.948 7.645 1.00 17.00 C ATOM 533 O GLN A 102 -6.360 21.168 8.109 1.00 19.11 O ATOM 534 CB GLN A 102 -3.600 21.126 6.301 1.00 19.88 C ATOM 535 CG GLN A 102 -3.137 20.779 4.889 1.00 21.55 C ATOM 536 CD GLN A 102 -1.925 19.917 4.871 1.00 23.10 C ATOM 537 OE1 GLN A 102 -1.029 20.074 5.748 1.00 22.03 O ATOM 538 NE2 GLN A 102 -1.867 18.976 3.893 1.00 18.71 N ATOM 539 HE22 GLN A 102 -2.639 18.898 3.200 1.00 0.00 H ATOM 540 HE21 GLN A 102 -1.051 18.334 3.837 1.00 0.00 H ATOM 541 H GLN A 102 -3.991 23.487 5.371 1.00 0.00 H ATOM 542 N LYS A 103 -5.133 23.030 8.285 1.00 14.74 N ATOM 543 CA LYS A 103 -5.713 23.374 9.595 1.00 16.41 C ATOM 544 C LYS A 103 -7.237 23.549 9.552 1.00 18.88 C ATOM 545 O LYS A 103 -7.938 22.979 10.367 1.00 20.19 O ATOM 546 CB LYS A 103 -5.069 24.643 10.145 1.00 21.86 C ATOM 547 CG LYS A 103 -5.536 25.003 11.569 1.00 25.73 C ATOM 548 CD LYS A 103 -4.849 26.256 12.073 1.00 26.68 C ATOM 549 CE LYS A 103 -5.052 26.417 13.574 1.00 36.46 C ATOM 550 NZ LYS A 103 -6.355 27.047 13.825 1.00 39.65 N ATOM 551 HZ1 LYS A 103 -6.381 27.981 13.368 1.00 0.00 H ATOM 552 HZ2 LYS A 103 -7.110 26.448 13.434 1.00 0.00 H ATOM 553 HZ3 LYS A 103 -6.494 27.157 14.850 1.00 0.00 H ATOM 554 H LYS A 103 -4.407 23.643 7.863 1.00 0.00 H ATOM 555 N LYS A 104 -7.745 24.332 8.609 1.00 15.53 N ATOM 556 CA LYS A 104 -9.177 24.530 8.510 1.00 14.54 C ATOM 557 C LYS A 104 -9.906 23.285 8.065 1.00 15.87 C ATOM 558 O LYS A 104 -11.080 23.101 8.424 1.00 17.91 O ATOM 559 CB LYS A 104 -9.467 25.683 7.573 1.00 15.21 C ATOM 560 CG LYS A 104 -8.943 26.961 8.092 1.00 16.94 C ATOM 561 CD LYS A 104 -9.324 28.143 7.268 1.00 20.98 C ATOM 562 CE LYS A 104 -10.803 28.326 7.301 1.00 22.00 C ATOM 563 NZ LYS A 104 -11.165 29.687 6.904 1.00 17.91 N ATOM 564 HZ1 LYS A 104 -10.727 30.366 7.559 1.00 0.00 H ATOM 565 HZ2 LYS A 104 -10.825 29.867 5.938 1.00 0.00 H ATOM 566 HZ3 LYS A 104 -12.199 29.792 6.934 1.00 0.00 H ATOM 567 H LYS A 104 -7.111 24.807 7.936 1.00 0.00 H ATOM 568 N THR A 105 -9.238 22.440 7.278 1.00 17.27 N ATOM 569 CA THR A 105 -9.873 21.193 6.843 1.00 15.72 C ATOM 570 C THR A 105 -10.009 20.286 8.076 1.00 14.72 C ATOM 571 O THR A 105 -11.038 19.675 8.297 1.00 14.43 O ATOM 572 CB THR A 105 -9.078 20.495 5.714 1.00 14.44 C ATOM 573 OG1 THR A 105 -9.045 21.362 4.571 1.00 16.48 O ATOM 574 CG2 THR A 105 -9.669 19.171 5.328 1.00 12.79 C ATOM 575 HG1 THR A 105 -8.604 22.214 4.817 1.00 0.00 H ATOM 576 H THR A 105 -8.269 22.666 6.974 1.00 0.00 H ATOM 577 N ARG A 106 -8.967 20.208 8.880 1.00 15.54 N ATOM 578 CA ARG A 106 -9.025 19.387 10.079 1.00 16.17 C ATOM 579 C ARG A 106 -10.118 19.891 11.041 1.00 20.90 C ATOM 580 O ARG A 106 -10.921 19.088 11.576 1.00 20.86 O ATOM 581 CB ARG A 106 -7.611 19.373 10.700 1.00 17.33 C ATOM 582 CG ARG A 106 -7.519 18.681 12.026 1.00 22.76 C ATOM 583 CD ARG A 106 -6.067 18.636 12.444 1.00 31.26 C ATOM 584 NE ARG A 106 -5.614 19.982 12.814 1.00 40.74 N ATOM 585 CZ ARG A 106 -4.726 20.733 12.150 1.00 42.69 C ATOM 586 NH1 ARG A 106 -4.128 20.312 11.029 1.00 44.53 N ATOM 587 NH2 ARG A 106 -4.422 21.932 12.634 1.00 45.45 N ATOM 588 HE ARG A 106 -6.023 20.393 13.677 1.00 0.00 H ATOM 589 HH12 ARG A 106 -3.444 20.926 10.543 1.00 0.00 H ATOM 590 HH11 ARG A 106 -4.348 19.371 10.644 1.00 0.00 H ATOM 591 HH22 ARG A 106 -3.735 22.535 12.137 1.00 0.00 H ATOM 592 HH21 ARG A 106 -4.871 22.268 13.510 1.00 0.00 H ATOM 593 H ARG A 106 -8.100 20.736 8.656 1.00 0.00 H ATOM 594 N GLU A 107 -10.198 21.200 11.237 1.00 20.40 N ATOM 595 CA GLU A 107 -11.230 21.756 12.108 1.00 16.91 C ATOM 596 C GLU A 107 -12.639 21.444 11.583 1.00 17.63 C ATOM 597 O GLU A 107 -13.551 21.200 12.359 1.00 21.85 O ATOM 598 CB GLU A 107 -11.030 23.252 12.254 1.00 18.51 C ATOM 599 CG GLU A 107 -9.746 23.572 12.988 1.00 29.51 C ATOM 600 CD GLU A 107 -9.471 25.061 13.089 1.00 32.64 C ATOM 601 OE1 GLU A 107 -9.976 25.816 12.232 1.00 33.81 O ATOM 602 OE2 GLU A 107 -8.758 25.460 14.036 1.00 37.18 O ATOM 603 H GLU A 107 -9.521 21.835 10.767 1.00 0.00 H ATOM 604 N PHE A 108 -12.788 21.489 10.265 1.00 15.11 N ATOM 605 CA PHE A 108 -14.062 21.089 9.611 1.00 16.93 C ATOM 606 C PHE A 108 -14.406 19.621 9.855 1.00 19.45 C ATOM 607 O PHE A 108 -15.551 19.272 10.152 1.00 16.43 O ATOM 608 CB PHE A 108 -13.989 21.367 8.085 1.00 17.05 C ATOM 609 CG PHE A 108 -15.219 20.918 7.329 1.00 15.19 C ATOM 610 CD1 PHE A 108 -16.365 21.702 7.320 1.00 26.45 C ATOM 611 CD2 PHE A 108 -15.226 19.705 6.648 1.00 15.90 C ATOM 612 CE1 PHE A 108 -17.500 21.281 6.640 1.00 25.49 C ATOM 613 CE2 PHE A 108 -16.355 19.264 5.964 1.00 16.25 C ATOM 614 CZ PHE A 108 -17.496 20.051 5.967 1.00 19.67 C ATOM 615 H PHE A 108 -11.994 21.812 9.675 1.00 0.00 H ATOM 616 N LEU A 109 -13.428 18.753 9.662 1.00 18.97 N ATOM 617 CA LEU A 109 -13.657 17.318 9.832 1.00 16.82 C ATOM 618 C LEU A 109 -13.931 17.016 11.316 1.00 18.28 C ATOM 619 O LEU A 109 -14.609 16.044 11.627 1.00 15.56 O ATOM 620 CB LEU A 109 -12.487 16.479 9.317 1.00 15.73 C ATOM 621 CG LEU A 109 -12.364 16.457 7.805 1.00 17.86 C ATOM 622 CD1 LEU A 109 -11.004 15.942 7.376 1.00 21.20 C ATOM 623 CD2 LEU A 109 -13.508 15.662 7.184 1.00 25.71 C ATOM 624 H LEU A 109 -12.485 19.094 9.386 1.00 0.00 H ATOM 625 N ASN A 110 -13.458 17.876 12.213 1.00 23.04 N ATOM 626 CA ASN A 110 -13.717 17.681 13.637 1.00 23.81 C ATOM 627 C ASN A 110 -15.208 17.802 14.015 1.00 24.73 C ATOM 628 O ASN A 110 -15.621 17.290 15.062 1.00 28.91 O ATOM 629 CB ASN A 110 -12.892 18.663 14.485 1.00 23.25 C ATOM 630 CG ASN A 110 -11.395 18.272 14.580 1.00 22.33 C ATOM 631 OD1 ASN A 110 -11.015 17.117 14.300 1.00 26.61 O ATOM 632 ND2 ASN A 110 -10.542 19.242 14.973 1.00 27.19 N ATOM 633 HD22 ASN A 110 -10.902 20.192 15.197 1.00 0.00 H ATOM 634 HD21 ASN A 110 -9.525 19.039 15.052 1.00 0.00 H ATOM 635 H ASN A 110 -12.899 18.694 11.898 1.00 0.00 H ATOM 636 N SER A 111 -16.010 18.431 13.163 1.00 20.25 N ATOM 637 CA SER A 111 -17.473 18.470 13.330 1.00 22.61 C ATOM 638 C SER A 111 -18.157 17.204 12.804 1.00 27.59 C ATOM 639 O SER A 111 -19.375 17.072 12.872 1.00 34.46 O ATOM 640 CB SER A 111 -18.041 19.705 12.621 1.00 33.25 C ATOM 641 OG SER A 111 -18.021 19.577 11.187 1.00 27.91 O ATOM 642 HG SER A 111 -17.088 19.452 10.881 1.00 0.00 H ATOM 643 H SER A 111 -15.588 18.915 12.345 1.00 0.00 H ATOM 644 N LYS A 112 -17.374 16.273 12.274 1.00 22.39 N ATOM 645 CA LYS A 112 -17.902 15.088 11.623 1.00 28.32 C ATOM 646 C LYS A 112 -17.342 13.850 12.274 1.00 21.83 C ATOM 647 O LYS A 112 -17.177 12.824 11.633 1.00 19.67 O ATOM 648 CB LYS A 112 -17.534 15.071 10.132 1.00 23.96 C ATOM 649 CG LYS A 112 -17.705 16.364 9.395 1.00 26.65 C ATOM 650 CD LYS A 112 -19.167 16.658 9.135 1.00 28.89 C ATOM 651 CE LYS A 112 -19.334 17.796 8.089 1.00 29.87 C ATOM 652 NZ LYS A 112 -20.781 18.073 7.873 1.00 36.50 N ATOM 653 HZ1 LYS A 112 -21.249 17.212 7.524 1.00 0.00 H ATOM 654 HZ2 LYS A 112 -21.215 18.365 8.772 1.00 0.00 H ATOM 655 HZ3 LYS A 112 -20.886 18.835 7.173 1.00 0.00 H ATOM 656 H LYS A 112 -16.343 16.397 12.327 1.00 0.00 H ATOM 657 N LYS A 113 -17.035 13.936 13.563 1.00 26.39 N ATOM 658 CA LYS A 113 -16.383 12.794 14.213 1.00 31.80 C ATOM 659 C LYS A 113 -17.268 11.551 14.192 1.00 30.01 C ATOM 660 O LYS A 113 -16.767 10.423 14.247 1.00 30.29 O ATOM 661 CB LYS A 113 -15.960 13.102 15.663 1.00 34.13 C ATOM 662 CG LYS A 113 -16.469 14.368 16.283 1.00 36.73 C ATOM 663 CD LYS A 113 -17.812 14.158 16.915 1.00 39.07 C ATOM 664 CE LYS A 113 -18.782 15.243 16.537 1.00 38.90 C ATOM 665 NZ LYS A 113 -19.703 14.682 15.508 1.00 43.58 N ATOM 666 HZ1 LYS A 113 -19.152 14.381 14.679 1.00 0.00 H ATOM 667 HZ2 LYS A 113 -20.208 13.864 15.905 1.00 0.00 H ATOM 668 HZ3 LYS A 113 -20.389 15.410 15.224 1.00 0.00 H ATOM 669 H LYS A 113 -17.253 14.798 14.102 1.00 0.00 H ATOM 670 N HIS A 114 -18.579 11.713 14.090 1.00 24.13 N ATOM 671 CA HIS A 114 -19.423 10.521 14.078 1.00 25.49 C ATOM 672 C HIS A 114 -19.456 9.844 12.691 1.00 30.91 C ATOM 673 O HIS A 114 -20.012 8.755 12.536 1.00 32.39 O ATOM 674 CB HIS A 114 -20.835 10.859 14.549 1.00 38.06 C ATOM 675 CG HIS A 114 -21.649 11.627 13.560 1.00 34.31 C ATOM 676 ND1 HIS A 114 -22.511 11.014 12.675 1.00 36.13 N ATOM 677 CD2 HIS A 114 -21.752 12.955 13.330 1.00 36.62 C ATOM 678 CE1 HIS A 114 -23.119 11.934 11.948 1.00 33.67 C ATOM 679 NE2 HIS A 114 -22.672 13.119 12.320 1.00 39.92 N ATOM 680 H HIS A 114 -18.996 12.663 14.020 1.00 0.00 H ATOM 681 N CYS A 115 -18.819 10.474 11.708 1.00 21.05 N ATOM 682 CA CYS A 115 -18.734 9.950 10.362 1.00 20.76 C ATOM 683 C CYS A 115 -17.331 9.490 9.974 1.00 24.16 C ATOM 684 O CYS A 115 -17.168 8.605 9.123 1.00 26.87 O ATOM 685 CB CYS A 115 -19.182 11.014 9.385 1.00 22.84 C ATOM 686 SG CYS A 115 -20.877 11.590 9.695 1.00 25.14 S ATOM 687 H CYS A 115 -18.361 11.384 11.916 1.00 0.00 H ATOM 688 N ILE A 116 -16.304 10.100 10.562 1.00 19.98 N ATOM 689 CA ILE A 116 -14.946 9.736 10.150 1.00 19.41 C ATOM 690 C ILE A 116 -14.050 9.775 11.374 1.00 24.68 C ATOM 691 O ILE A 116 -14.088 10.715 12.171 1.00 30.96 O ATOM 692 CB ILE A 116 -14.418 10.630 8.975 1.00 19.87 C ATOM 693 CG1 ILE A 116 -13.028 10.186 8.490 1.00 21.27 C ATOM 694 CG2 ILE A 116 -14.376 12.116 9.341 1.00 24.80 C ATOM 695 CD1 ILE A 116 -12.569 10.908 7.212 1.00 22.12 C ATOM 696 H ILE A 116 -16.462 10.819 11.297 1.00 0.00 H ATOM 697 N ASP A 117 -13.288 8.697 11.514 1.00 24.96 N ATOM 698 CA ASP A 117 -12.329 8.514 12.615 1.00 26.33 C ATOM 699 C ASP A 117 -10.941 8.892 12.127 1.00 26.37 C ATOM 700 O ASP A 117 -10.650 10.060 11.957 1.00 35.17 O ATOM 701 CB ASP A 117 -12.374 7.050 13.126 1.00 28.43 C ATOM 702 CG ASP A 117 -12.744 6.960 14.569 1.00 41.66 C ATOM 703 OD1 ASP A 117 -12.110 7.691 15.364 1.00 50.10 O ATOM 704 OD2 ASP A 117 -13.664 6.180 14.904 1.00 45.48 O ATOM 705 H ASP A 117 -13.374 7.940 10.806 1.00 0.00 H ATOM 706 N LYS A 118 -10.089 7.921 11.861 1.00 29.36 N ATOM 707 CA LYS A 118 -8.716 8.204 11.468 1.00 31.27 C ATOM 708 C LYS A 118 -8.647 8.549 9.993 1.00 26.02 C ATOM 709 O LYS A 118 -9.333 7.917 9.181 1.00 28.53 O ATOM 710 CB LYS A 118 -7.819 6.996 11.756 1.00 38.21 C ATOM 711 CG LYS A 118 -7.609 6.705 13.240 1.00 38.88 C ATOM 712 CD LYS A 118 -6.617 5.558 13.441 1.00 44.77 C ATOM 713 CE LYS A 118 -6.147 5.480 14.897 1.00 44.98 C ATOM 714 NZ LYS A 118 -7.202 4.917 15.799 1.00 52.89 N ATOM 715 HZ1 LYS A 118 -8.047 5.522 15.762 1.00 0.00 H ATOM 716 HZ2 LYS A 118 -7.448 3.957 15.485 1.00 0.00 H ATOM 717 HZ3 LYS A 118 -6.841 4.883 16.774 1.00 0.00 H ATOM 718 H LYS A 118 -10.404 6.933 11.933 1.00 0.00 H ATOM 719 N TYR A 119 -7.840 9.555 9.663 1.00 18.20 N ATOM 720 CA TYR A 119 -7.483 9.816 8.283 1.00 18.10 C ATOM 721 C TYR A 119 -6.091 10.413 8.168 1.00 19.71 C ATOM 722 O TYR A 119 -5.475 10.771 9.189 1.00 21.81 O ATOM 723 CB TYR A 119 -8.500 10.764 7.635 1.00 16.27 C ATOM 724 CG TYR A 119 -8.584 12.070 8.335 1.00 17.04 C ATOM 725 CD1 TYR A 119 -9.426 12.243 9.425 1.00 21.04 C ATOM 726 CD2 TYR A 119 -7.801 13.125 7.947 1.00 19.81 C ATOM 727 CE1 TYR A 119 -9.497 13.454 10.055 1.00 19.90 C ATOM 728 CE2 TYR A 119 -7.866 14.327 8.585 1.00 18.33 C ATOM 729 CZ TYR A 119 -8.726 14.475 9.629 1.00 19.38 C ATOM 730 OH TYR A 119 -8.796 15.685 10.261 1.00 25.44 O ATOM 731 HH TYR A 119 -9.461 15.636 10.993 1.00 0.00 H ATOM 732 H TYR A 119 -7.457 10.167 10.412 1.00 0.00 H ATOM 733 N ASN A 120 -5.610 10.502 6.920 1.00 18.49 N ATOM 734 CA ASN A 120 -4.391 11.213 6.565 1.00 17.26 C ATOM 735 C ASN A 120 -4.688 12.267 5.527 1.00 18.26 C ATOM 736 O ASN A 120 -5.594 12.087 4.700 1.00 18.33 O ATOM 737 CB ASN A 120 -3.344 10.285 5.966 1.00 23.66 C ATOM 738 CG ASN A 120 -2.787 9.330 6.943 1.00 35.31 C ATOM 739 OD1 ASN A 120 -2.755 8.114 6.697 1.00 42.02 O ATOM 740 ND2 ASN A 120 -2.317 9.855 8.066 1.00 33.27 N ATOM 741 HD22 ASN A 120 -2.369 10.882 8.221 1.00 0.00 H ATOM 742 HD21 ASN A 120 -1.896 9.240 8.791 1.00 0.00 H ATOM 743 H ASN A 120 -6.141 10.034 6.158 1.00 0.00 H ATOM 744 N PHE A 121 -3.918 13.351 5.538 1.00 17.18 N ATOM 745 CA PHE A 121 -3.926 14.338 4.459 1.00 15.05 C ATOM 746 C PHE A 121 -2.908 13.976 3.365 1.00 15.35 C ATOM 747 O PHE A 121 -1.673 13.860 3.630 1.00 18.00 O ATOM 748 CB PHE A 121 -3.557 15.727 4.969 1.00 20.49 C ATOM 749 CG PHE A 121 -4.627 16.419 5.782 1.00 20.33 C ATOM 750 CD1 PHE A 121 -5.942 16.419 5.396 1.00 19.05 C ATOM 751 CD2 PHE A 121 -4.288 17.094 6.939 1.00 30.64 C ATOM 752 CE1 PHE A 121 -6.911 17.118 6.169 1.00 20.10 C ATOM 753 CE2 PHE A 121 -5.235 17.766 7.684 1.00 26.33 C ATOM 754 CZ PHE A 121 -6.531 17.764 7.308 1.00 25.63 C ATOM 755 H PHE A 121 -3.284 13.503 6.348 1.00 0.00 H ATOM 756 N GLU A 122 -3.371 13.885 2.123 1.00 14.43 N ATOM 757 CA GLU A 122 -2.459 13.860 0.972 1.00 12.87 C ATOM 758 C GLU A 122 -1.716 15.200 0.828 1.00 12.06 C ATOM 759 O GLU A 122 -2.202 16.245 1.281 1.00 13.94 O ATOM 760 CB GLU A 122 -3.292 13.567 -0.291 1.00 14.53 C ATOM 761 CG GLU A 122 -2.499 13.210 -1.531 1.00 14.77 C ATOM 762 CD GLU A 122 -3.305 12.388 -2.549 1.00 15.77 C ATOM 763 OE1 GLU A 122 -4.430 11.952 -2.233 1.00 17.37 O ATOM 764 OE2 GLU A 122 -2.745 12.108 -3.631 1.00 18.67 O ATOM 765 H GLU A 122 -4.397 13.831 1.963 1.00 0.00 H ATOM 766 N ASP A 123 -0.539 15.190 0.211 1.00 12.34 N ATOM 767 CA ASP A 123 0.075 16.453 -0.214 1.00 13.34 C ATOM 768 C ASP A 123 -0.918 17.250 -1.061 1.00 13.24 C ATOM 769 O ASP A 123 -1.588 16.691 -1.918 1.00 11.42 O ATOM 770 CB ASP A 123 1.319 16.203 -1.035 1.00 12.47 C ATOM 771 CG ASP A 123 2.464 15.620 -0.231 1.00 16.46 C ATOM 772 OD1 ASP A 123 2.361 15.521 1.003 1.00 18.01 O ATOM 773 OD2 ASP A 123 3.472 15.246 -0.865 1.00 18.66 O ATOM 774 H ASP A 123 -0.054 14.288 0.030 1.00 0.00 H ATOM 775 N VAL A 124 -0.955 18.572 -0.895 1.00 11.19 N ATOM 776 CA VAL A 124 -1.872 19.394 -1.668 1.00 13.92 C ATOM 777 C VAL A 124 -1.374 19.537 -3.124 1.00 14.06 C ATOM 778 O VAL A 124 -0.172 19.711 -3.373 1.00 11.02 O ATOM 779 CB VAL A 124 -2.036 20.773 -0.997 1.00 12.93 C ATOM 780 CG1 VAL A 124 -2.731 21.769 -1.883 1.00 12.67 C ATOM 781 CG2 VAL A 124 -2.763 20.637 0.332 1.00 12.84 C ATOM 782 H VAL A 124 -0.320 19.021 -0.204 1.00 0.00 H ATOM 783 N GLN A 125 -2.330 19.440 -4.061 1.00 10.26 N ATOM 784 CA GLN A 125 -2.118 19.663 -5.479 1.00 10.75 C ATOM 785 C GLN A 125 -2.727 21.002 -5.870 1.00 12.88 C ATOM 786 O GLN A 125 -3.861 21.330 -5.461 1.00 12.57 O ATOM 787 CB GLN A 125 -2.757 18.565 -6.301 1.00 11.54 C ATOM 788 CG GLN A 125 -2.573 18.662 -7.802 1.00 14.82 C ATOM 789 CD GLN A 125 -3.624 17.854 -8.531 1.00 14.69 C ATOM 790 OE1 GLN A 125 -4.764 18.289 -8.669 1.00 15.40 O ATOM 791 NE2 GLN A 125 -3.243 16.685 -9.014 1.00 20.28 N ATOM 792 HE22 GLN A 125 -2.266 16.357 -8.872 1.00 0.00 H ATOM 793 HE21 GLN A 125 -3.920 16.092 -9.536 1.00 0.00 H ATOM 794 H GLN A 125 -3.289 19.187 -3.749 1.00 0.00 H ATOM 795 N VAL A 126 -1.986 21.806 -6.642 1.00 11.59 N ATOM 796 CA VAL A 126 -2.582 22.985 -7.290 1.00 10.20 C ATOM 797 C VAL A 126 -2.644 22.710 -8.800 1.00 9.39 C ATOM 798 O VAL A 126 -1.658 22.258 -9.397 1.00 11.58 O ATOM 799 CB VAL A 126 -1.789 24.292 -6.949 1.00 12.19 C ATOM 800 CG1 VAL A 126 -2.242 25.483 -7.824 1.00 10.18 C ATOM 801 CG2 VAL A 126 -1.909 24.603 -5.425 1.00 13.41 C ATOM 802 H VAL A 126 -0.978 21.595 -6.785 1.00 0.00 H ATOM 803 N ALA A 127 -3.812 22.944 -9.415 1.00 9.15 N ATOM 804 CA ALA A 127 -3.998 22.698 -10.819 1.00 9.26 C ATOM 805 C ALA A 127 -4.535 23.925 -11.525 1.00 11.24 C ATOM 806 O ALA A 127 -5.285 24.701 -10.938 1.00 12.01 O ATOM 807 CB ALA A 127 -4.999 21.516 -11.045 1.00 9.92 C ATOM 808 H ALA A 127 -4.609 23.315 -8.859 1.00 0.00 H ATOM 809 N ARG A 128 -4.205 24.033 -12.810 1.00 12.88 N ATOM 810 CA ARG A 128 -4.599 25.177 -13.633 1.00 12.63 C ATOM 811 C ARG A 128 -5.196 24.728 -14.951 1.00 14.12 C ATOM 812 O ARG A 128 -4.717 23.781 -15.581 1.00 17.03 O ATOM 813 CB ARG A 128 -3.393 26.085 -13.913 1.00 14.35 C ATOM 814 CG ARG A 128 -3.705 27.268 -14.886 1.00 19.38 C ATOM 815 CD ARG A 128 -2.613 28.341 -14.768 1.00 23.89 C ATOM 816 NE ARG A 128 -2.869 29.533 -15.594 1.00 24.62 N ATOM 817 CZ ARG A 128 -2.452 29.647 -16.848 1.00 28.74 C ATOM 818 NH1 ARG A 128 -1.813 28.638 -17.430 1.00 30.28 N ATOM 819 NH2 ARG A 128 -2.698 30.761 -17.531 1.00 34.40 N ATOM 820 HE ARG A 128 -3.401 30.322 -15.175 1.00 0.00 H ATOM 821 HH12 ARG A 128 -1.486 28.727 -18.413 1.00 0.00 H ATOM 822 HH11 ARG A 128 -1.640 27.759 -16.902 1.00 0.00 H ATOM 823 HH22 ARG A 128 -2.371 30.851 -18.514 1.00 0.00 H ATOM 824 HH21 ARG A 128 -3.217 31.542 -17.082 1.00 0.00 H ATOM 825 H ARG A 128 -3.644 23.274 -13.247 1.00 0.00 H ATOM 826 N TYR A 129 -6.257 25.434 -15.338 1.00 11.60 N ATOM 827 CA TYR A 129 -6.951 25.272 -16.593 1.00 13.92 C ATOM 828 C TYR A 129 -6.878 26.558 -17.433 1.00 14.78 C ATOM 829 O TYR A 129 -7.335 27.625 -16.988 1.00 16.52 O ATOM 830 CB TYR A 129 -8.421 24.965 -16.373 1.00 13.94 C ATOM 831 CG TYR A 129 -8.758 23.770 -15.546 1.00 9.80 C ATOM 832 CD1 TYR A 129 -8.948 22.536 -16.108 1.00 14.48 C ATOM 833 CD2 TYR A 129 -8.899 23.889 -14.174 1.00 12.74 C ATOM 834 CE1 TYR A 129 -9.291 21.429 -15.331 1.00 13.32 C ATOM 835 CE2 TYR A 129 -9.256 22.799 -13.392 1.00 11.65 C ATOM 836 CZ TYR A 129 -9.440 21.578 -13.984 1.00 13.10 C ATOM 837 OH TYR A 129 -9.781 20.504 -13.216 1.00 15.30 O ATOM 838 HH TYR A 129 -10.640 20.686 -12.759 1.00 0.00 H ATOM 839 H TYR A 129 -6.614 26.160 -14.684 1.00 0.00 H ATOM 840 N LYS A 130 -6.305 26.429 -18.626 1.00 14.27 N ATOM 841 CA LYS A 130 -6.399 27.439 -19.658 1.00 21.29 C ATOM 842 C LYS A 130 -7.680 27.316 -20.474 1.00 22.06 C ATOM 843 O LYS A 130 -8.380 26.299 -20.437 1.00 17.32 O ATOM 844 CB LYS A 130 -5.199 27.304 -20.588 1.00 24.74 C ATOM 845 CG LYS A 130 -3.908 27.591 -19.944 1.00 24.38 C ATOM 846 CD LYS A 130 -2.760 27.419 -20.944 1.00 32.27 C ATOM 847 CE LYS A 130 -2.784 28.515 -22.014 1.00 35.71 C ATOM 848 NZ LYS A 130 -2.285 28.056 -23.350 1.00 39.09 N ATOM 849 HZ1 LYS A 130 -1.301 27.731 -23.258 1.00 0.00 H ATOM 850 HZ2 LYS A 130 -2.880 27.274 -23.691 1.00 0.00 H ATOM 851 HZ3 LYS A 130 -2.329 28.846 -24.025 1.00 0.00 H ATOM 852 H LYS A 130 -5.765 25.563 -18.826 1.00 0.00 H ATOM 853 N PRO A 131 -8.022 28.364 -21.235 1.00 22.05 N ATOM 854 CA PRO A 131 -9.187 28.182 -22.093 1.00 17.80 C ATOM 855 C PRO A 131 -9.116 26.882 -22.936 1.00 17.80 C ATOM 856 O PRO A 131 -8.093 26.558 -23.514 1.00 20.84 O ATOM 857 CB PRO A 131 -9.131 29.439 -22.968 1.00 16.38 C ATOM 858 CG PRO A 131 -8.647 30.450 -22.046 1.00 18.18 C ATOM 859 CD PRO A 131 -7.484 29.729 -21.378 1.00 24.25 C ATOM 860 N GLY A 132 -10.195 26.123 -22.955 1.00 16.87 N ATOM 861 CA GLY A 132 -10.244 24.877 -23.674 1.00 18.03 C ATOM 862 C GLY A 132 -9.970 23.675 -22.782 1.00 22.33 C ATOM 863 O GLY A 132 -10.194 22.526 -23.208 1.00 21.99 O ATOM 864 H GLY A 132 -11.038 26.435 -22.433 1.00 0.00 H ATOM 865 N GLN A 133 -9.452 23.938 -21.576 1.00 22.80 N ATOM 866 CA GLN A 133 -9.037 22.862 -20.675 1.00 20.06 C ATOM 867 C GLN A 133 -10.179 22.497 -19.714 1.00 18.10 C ATOM 868 O GLN A 133 -11.068 23.300 -19.425 1.00 16.93 O ATOM 869 CB GLN A 133 -7.760 23.248 -19.931 1.00 21.16 C ATOM 870 CG GLN A 133 -6.567 23.323 -20.879 1.00 20.64 C ATOM 871 CD GLN A 133 -5.245 23.331 -20.191 1.00 20.58 C ATOM 872 OE1 GLN A 133 -5.015 24.086 -19.279 1.00 22.31 O ATOM 873 NE2 GLN A 133 -4.352 22.463 -20.632 1.00 38.34 N ATOM 874 HE22 GLN A 133 -4.589 21.829 -21.421 1.00 0.00 H ATOM 875 HE21 GLN A 133 -3.412 22.414 -20.190 1.00 0.00 H ATOM 876 H GLN A 133 -9.342 24.927 -21.273 1.00 0.00 H ATOM 877 N TYR A 134 -10.152 21.245 -19.266 1.00 17.89 N ATOM 878 CA TYR A 134 -11.292 20.641 -18.584 1.00 17.07 C ATOM 879 C TYR A 134 -10.841 19.335 -17.951 1.00 17.24 C ATOM 880 O TYR A 134 -9.739 18.902 -18.186 1.00 17.40 O ATOM 881 CB TYR A 134 -12.445 20.357 -19.546 1.00 19.20 C ATOM 882 CG TYR A 134 -12.120 19.378 -20.639 1.00 18.82 C ATOM 883 CD1 TYR A 134 -11.468 19.795 -21.815 1.00 18.51 C ATOM 884 CD2 TYR A 134 -12.416 18.025 -20.486 1.00 20.86 C ATOM 885 CE1 TYR A 134 -11.177 18.898 -22.817 1.00 21.45 C ATOM 886 CE2 TYR A 134 -12.118 17.130 -21.487 1.00 25.15 C ATOM 887 CZ TYR A 134 -11.499 17.576 -22.642 1.00 25.70 C ATOM 888 OH TYR A 134 -11.190 16.698 -23.650 1.00 31.50 O ATOM 889 HH TYR A 134 -12.020 16.269 -23.978 1.00 0.00 H ATOM 890 H TYR A 134 -9.291 20.679 -19.406 1.00 0.00 H ATOM 891 N TYR A 135 -11.712 18.740 -17.135 1.00 18.71 N ATOM 892 CA TYR A 135 -11.461 17.432 -16.480 1.00 11.63 C ATOM 893 C TYR A 135 -12.757 16.629 -16.630 1.00 16.03 C ATOM 894 O TYR A 135 -13.725 16.898 -15.913 1.00 18.14 O ATOM 895 CB TYR A 135 -11.071 17.614 -14.993 1.00 13.31 C ATOM 896 CG TYR A 135 -10.414 16.415 -14.307 1.00 12.97 C ATOM 897 CD1 TYR A 135 -10.483 15.119 -14.836 1.00 14.19 C ATOM 898 CD2 TYR A 135 -9.727 16.606 -13.110 1.00 14.82 C ATOM 899 CE1 TYR A 135 -9.871 14.057 -14.190 1.00 17.05 C ATOM 900 CE2 TYR A 135 -9.130 15.550 -12.457 1.00 12.67 C ATOM 901 CZ TYR A 135 -9.165 14.290 -13.006 1.00 13.44 C ATOM 902 OH TYR A 135 -8.570 13.233 -12.350 1.00 19.43 O ATOM 903 HH TYR A 135 -8.991 13.118 -11.461 1.00 0.00 H ATOM 904 H TYR A 135 -12.616 19.218 -16.947 1.00 0.00 H ATOM 905 N TYR A 136 -12.782 15.661 -17.561 1.00 17.09 N ATOM 906 CA TYR A 136 -13.959 14.806 -17.808 1.00 16.60 C ATOM 907 C TYR A 136 -14.471 14.097 -16.557 1.00 15.23 C ATOM 908 O TYR A 136 -13.695 13.825 -15.666 1.00 14.90 O ATOM 909 CB TYR A 136 -13.628 13.744 -18.841 1.00 16.48 C ATOM 910 CG TYR A 136 -14.780 12.903 -19.334 1.00 25.37 C ATOM 911 CD1 TYR A 136 -15.729 13.428 -20.205 1.00 30.09 C ATOM 912 CD2 TYR A 136 -14.893 11.568 -18.968 1.00 28.76 C ATOM 913 CE1 TYR A 136 -16.783 12.654 -20.665 1.00 29.72 C ATOM 914 CE2 TYR A 136 -15.934 10.781 -19.437 1.00 26.46 C ATOM 915 CZ TYR A 136 -16.877 11.332 -20.292 1.00 33.55 C ATOM 916 OH TYR A 136 -17.922 10.571 -20.779 1.00 44.46 O ATOM 917 HH TYR A 136 -18.464 10.234 -20.022 1.00 0.00 H ATOM 918 H TYR A 136 -11.929 15.506 -18.136 1.00 0.00 H ATOM 919 N HIS A 137 -15.769 13.791 -16.501 1.00 17.53 N ATOM 920 CA HIS A 137 -16.335 13.247 -15.257 1.00 14.87 C ATOM 921 C HIS A 137 -15.653 11.975 -14.765 1.00 13.30 C ATOM 922 O HIS A 137 -15.283 11.088 -15.511 1.00 16.90 O ATOM 923 CB HIS A 137 -17.855 13.037 -15.364 1.00 16.81 C ATOM 924 CG HIS A 137 -18.312 12.157 -16.477 1.00 24.72 C ATOM 925 ND1 HIS A 137 -18.182 10.783 -16.459 1.00 38.68 N ATOM 926 CD2 HIS A 137 -18.955 12.460 -17.632 1.00 27.27 C ATOM 927 CE1 HIS A 137 -18.712 10.280 -17.563 1.00 28.64 C ATOM 928 NE2 HIS A 137 -19.198 11.276 -18.281 1.00 30.01 N ATOM 929 H HIS A 137 -16.377 13.936 -17.332 1.00 0.00 H ATOM 930 N HIS A 138 -15.474 11.938 -13.457 1.00 12.32 N ATOM 931 CA HIS A 138 -14.750 10.862 -12.815 1.00 12.41 C ATOM 932 C HIS A 138 -15.141 10.821 -11.334 1.00 12.09 C ATOM 933 O HIS A 138 -15.842 11.709 -10.813 1.00 11.79 O ATOM 934 CB HIS A 138 -13.245 11.102 -12.959 1.00 12.28 C ATOM 935 CG HIS A 138 -12.814 12.383 -12.336 1.00 11.72 C ATOM 936 ND1 HIS A 138 -12.978 13.620 -12.928 1.00 11.50 N ATOM 937 CD2 HIS A 138 -12.244 12.608 -11.141 1.00 11.38 C ATOM 938 CE1 HIS A 138 -12.568 14.554 -12.092 1.00 11.11 C ATOM 939 NE2 HIS A 138 -12.121 13.967 -10.994 1.00 10.97 N ATOM 940 H HIS A 138 -15.864 12.704 -12.872 1.00 0.00 H ATOM 941 N TYR A 139 -14.663 9.784 -10.655 1.00 12.24 N ATOM 942 CA TYR A 139 -14.627 9.755 -9.177 1.00 11.95 C ATOM 943 C TYR A 139 -13.199 9.999 -8.669 1.00 11.75 C ATOM 944 O TYR A 139 -12.237 9.660 -9.335 1.00 11.96 O ATOM 945 CB TYR A 139 -15.101 8.411 -8.650 1.00 12.65 C ATOM 946 CG TYR A 139 -16.369 7.900 -9.313 1.00 13.05 C ATOM 947 CD1 TYR A 139 -17.608 8.410 -8.954 1.00 14.27 C ATOM 948 CD2 TYR A 139 -16.332 6.873 -10.258 1.00 14.58 C ATOM 949 CE1 TYR A 139 -18.738 7.939 -9.484 1.00 14.31 C ATOM 950 CE2 TYR A 139 -17.499 6.409 -10.831 1.00 23.25 C ATOM 951 CZ TYR A 139 -18.690 6.958 -10.436 1.00 23.84 C ATOM 952 OH TYR A 139 -19.880 6.521 -10.955 1.00 29.74 O ATOM 953 HH TYR A 139 -20.624 7.034 -10.550 1.00 0.00 H ATOM 954 H TYR A 139 -14.301 8.963 -11.182 1.00 0.00 H ATOM 955 N ASP A 140 -13.064 10.533 -7.469 1.00 12.68 N ATOM 956 CA ASP A 140 -11.722 10.819 -6.928 1.00 11.32 C ATOM 957 C ASP A 140 -11.098 9.614 -6.205 1.00 15.61 C ATOM 958 O ASP A 140 -9.964 9.683 -5.761 1.00 17.92 O ATOM 959 CB ASP A 140 -11.765 12.038 -5.990 1.00 10.90 C ATOM 960 CG ASP A 140 -11.750 13.381 -6.738 1.00 12.59 C ATOM 961 OD1 ASP A 140 -11.645 13.390 -7.988 1.00 11.60 O ATOM 962 OD2 ASP A 140 -11.817 14.444 -6.055 1.00 12.30 O ATOM 963 H ASP A 140 -13.908 10.753 -6.903 1.00 0.00 H ATOM 964 N GLY A 141 -11.819 8.509 -6.146 1.00 13.56 N ATOM 965 CA GLY A 141 -11.283 7.294 -5.571 1.00 14.58 C ATOM 966 C GLY A 141 -11.399 6.146 -6.545 1.00 15.51 C ATOM 967 O GLY A 141 -11.917 6.283 -7.654 1.00 17.97 O ATOM 968 H GLY A 141 -12.790 8.512 -6.520 1.00 0.00 H ATOM 969 N ASP A 142 -10.938 4.987 -6.084 1.00 16.50 N ATOM 970 CA ASP A 142 -10.964 3.739 -6.806 1.00 17.86 C ATOM 971 C ASP A 142 -12.320 3.016 -6.735 1.00 16.93 C ATOM 972 O ASP A 142 -12.825 2.696 -5.641 1.00 20.74 O ATOM 973 CB ASP A 142 -9.863 2.847 -6.235 1.00 19.99 C ATOM 974 CG ASP A 142 -8.554 2.983 -6.968 1.00 36.80 C ATOM 975 OD1 ASP A 142 -8.146 4.119 -7.305 1.00 45.30 O ATOM 976 OD2 ASP A 142 -7.939 1.915 -7.200 1.00 43.38 O ATOM 977 H ASP A 142 -10.527 4.980 -5.129 1.00 0.00 H ATOM 978 N ASP A 143 -12.936 2.736 -7.885 1.00 17.56 N ATOM 979 CA ASP A 143 -14.178 1.982 -7.858 1.00 16.39 C ATOM 980 C ASP A 143 -13.923 0.516 -7.469 1.00 20.59 C ATOM 981 O ASP A 143 -13.237 -0.231 -8.166 1.00 23.40 O ATOM 982 CB ASP A 143 -14.912 2.062 -9.209 1.00 22.97 C ATOM 983 CG ASP A 143 -16.345 1.549 -9.145 1.00 26.78 C ATOM 984 OD1 ASP A 143 -16.867 1.274 -8.042 1.00 26.90 O ATOM 985 OD2 ASP A 143 -16.975 1.431 -10.220 1.00 33.86 O ATOM 986 H ASP A 143 -12.532 3.053 -8.789 1.00 0.00 H ATOM 987 N CYS A 144 -14.478 0.128 -6.336 1.00 20.16 N ATOM 988 CA CYS A 144 -14.131 -1.141 -5.700 1.00 19.94 C ATOM 989 C CYS A 144 -15.328 -1.742 -4.970 1.00 19.85 C ATOM 990 O CYS A 144 -16.287 -1.054 -4.621 1.00 22.02 O ATOM 991 CB CYS A 144 -12.978 -0.965 -4.711 1.00 17.26 C ATOM 992 SG CYS A 144 -13.387 0.220 -3.361 1.00 20.06 S ATOM 993 H CYS A 144 -15.183 0.744 -5.883 1.00 0.00 H ATOM 994 N ASP A 145 -15.271 -3.050 -4.748 1.00 21.11 N ATOM 995 CA ASP A 145 -16.291 -3.734 -3.983 1.00 23.05 C ATOM 996 C ASP A 145 -15.606 -4.611 -2.936 1.00 27.72 C ATOM 997 O ASP A 145 -15.663 -4.343 -1.732 1.00 25.37 O ATOM 998 CB ASP A 145 -17.188 -4.560 -4.900 1.00 33.67 C ATOM 999 CG ASP A 145 -18.299 -5.270 -4.146 1.00 37.18 C ATOM 1000 OD1 ASP A 145 -18.637 -4.854 -3.019 1.00 43.20 O ATOM 1001 OD2 ASP A 145 -18.849 -6.249 -4.687 1.00 41.87 O ATOM 1002 H ASP A 145 -14.474 -3.596 -5.133 1.00 0.00 H ATOM 1003 N ASP A 146 -14.927 -5.655 -3.385 1.00 25.42 N ATOM 1004 CA ASP A 146 -14.357 -6.586 -2.433 1.00 28.29 C ATOM 1005 C ASP A 146 -12.860 -6.417 -2.207 1.00 30.40 C ATOM 1006 O ASP A 146 -12.271 -7.124 -1.388 1.00 31.82 O ATOM 1007 CB ASP A 146 -14.666 -7.991 -2.888 1.00 32.05 C ATOM 1008 CG ASP A 146 -16.109 -8.353 -2.641 1.00 41.58 C ATOM 1009 OD1 ASP A 146 -16.562 -8.184 -1.478 1.00 39.98 O ATOM 1010 OD2 ASP A 146 -16.788 -8.778 -3.605 1.00 49.01 O ATOM 1011 H ASP A 146 -14.805 -5.805 -4.407 1.00 0.00 H ATOM 1012 N ALA A 147 -12.251 -5.485 -2.921 1.00 24.33 N ATOM 1013 CA ALA A 147 -10.818 -5.245 -2.793 1.00 27.23 C ATOM 1014 C ALA A 147 -10.505 -3.747 -2.715 1.00 21.67 C ATOM 1015 O ALA A 147 -9.673 -3.222 -3.469 1.00 23.76 O ATOM 1016 CB ALA A 147 -10.074 -5.874 -3.969 1.00 34.33 C ATOM 1017 H ALA A 147 -12.806 -4.911 -3.588 1.00 0.00 H ATOM 1018 N CYS A 148 -11.204 -3.050 -1.826 1.00 21.99 N ATOM 1019 CA CYS A 148 -11.045 -1.597 -1.758 1.00 20.47 C ATOM 1020 C CYS A 148 -9.669 -1.283 -1.171 1.00 25.17 C ATOM 1021 O CYS A 148 -9.253 -1.901 -0.174 1.00 24.50 O ATOM 1022 CB CYS A 148 -12.173 -0.949 -0.928 1.00 15.27 C ATOM 1023 SG CYS A 148 -13.768 -0.927 -1.703 1.00 22.11 S ATOM 1024 H CYS A 148 -11.861 -3.535 -1.182 1.00 0.00 H ATOM 1025 N PRO A 149 -8.946 -0.329 -1.772 1.00 23.23 N ATOM 1026 CA PRO A 149 -7.594 -0.041 -1.264 1.00 21.74 C ATOM 1027 C PRO A 149 -7.612 0.457 0.181 1.00 24.73 C ATOM 1028 O PRO A 149 -8.559 1.126 0.610 1.00 21.46 O ATOM 1029 CB PRO A 149 -7.077 1.040 -2.217 1.00 26.75 C ATOM 1030 CG PRO A 149 -8.265 1.669 -2.760 1.00 26.70 C ATOM 1031 CD PRO A 149 -9.311 0.582 -2.866 1.00 23.00 C ATOM 1032 N LYS A 150 -6.563 0.152 0.934 1.00 25.50 N ATOM 1033 CA LYS A 150 -6.573 0.485 2.334 1.00 22.21 C ATOM 1034 C LYS A 150 -6.387 1.999 2.511 1.00 20.90 C ATOM 1035 O LYS A 150 -6.771 2.541 3.541 1.00 24.69 O ATOM 1036 CB LYS A 150 -5.497 -0.308 3.077 1.00 24.46 C ATOM 1037 CG LYS A 150 -5.730 -1.799 3.066 1.00 31.83 C ATOM 1038 CD LYS A 150 -6.730 -2.237 4.125 1.00 39.99 C ATOM 1039 CE LYS A 150 -6.776 -3.772 4.218 1.00 43.40 C ATOM 1040 NZ LYS A 150 -7.508 -4.395 3.050 1.00 49.89 N ATOM 1041 HZ1 LYS A 150 -8.486 -4.043 3.028 1.00 0.00 H ATOM 1042 HZ2 LYS A 150 -7.026 -4.139 2.164 1.00 0.00 H ATOM 1043 HZ3 LYS A 150 -7.513 -5.429 3.157 1.00 0.00 H ATOM 1044 H LYS A 150 -5.739 -0.325 0.515 1.00 0.00 H ATOM 1045 N ASP A 151 -5.844 2.681 1.507 1.00 20.01 N ATOM 1046 CA ASP A 151 -5.608 4.115 1.594 1.00 22.83 C ATOM 1047 C ASP A 151 -6.540 4.875 0.640 1.00 19.92 C ATOM 1048 O ASP A 151 -6.180 5.944 0.091 1.00 18.73 O ATOM 1049 CB ASP A 151 -4.177 4.432 1.256 1.00 23.35 C ATOM 1050 CG ASP A 151 -3.796 3.992 -0.158 1.00 27.35 C ATOM 1051 OD1 ASP A 151 -4.562 3.212 -0.767 1.00 29.36 O ATOM 1052 OD2 ASP A 151 -2.732 4.429 -0.653 1.00 38.89 O ATOM 1053 H ASP A 151 -5.581 2.177 0.636 1.00 0.00 H ATOM 1054 N GLN A 152 -7.738 4.318 0.452 1.00 17.21 N ATOM 1055 CA GLN A 152 -8.753 4.927 -0.398 1.00 18.63 C ATOM 1056 C GLN A 152 -8.965 6.397 -0.040 1.00 15.67 C ATOM 1057 O GLN A 152 -9.054 6.725 1.147 1.00 14.19 O ATOM 1058 CB GLN A 152 -10.062 4.181 -0.212 1.00 17.40 C ATOM 1059 CG GLN A 152 -11.264 4.726 -0.974 1.00 15.60 C ATOM 1060 CD GLN A 152 -11.230 4.385 -2.490 1.00 14.99 C ATOM 1061 OE1 GLN A 152 -10.336 4.787 -3.202 1.00 17.30 O ATOM 1062 NE2 GLN A 152 -12.192 3.607 -2.939 1.00 16.09 N ATOM 1063 HE22 GLN A 152 -12.942 3.283 -2.295 1.00 0.00 H ATOM 1064 HE21 GLN A 152 -12.202 3.316 -3.937 1.00 0.00 H ATOM 1065 H GLN A 152 -7.955 3.419 0.928 1.00 0.00 H ATOM 1066 N ARG A 153 -9.086 7.258 -1.045 1.00 15.30 N ATOM 1067 CA ARG A 153 -9.530 8.638 -0.816 1.00 13.48 C ATOM 1068 C ARG A 153 -10.977 8.650 -0.288 1.00 13.32 C ATOM 1069 O ARG A 153 -11.876 8.069 -0.884 1.00 13.37 O ATOM 1070 CB ARG A 153 -9.433 9.470 -2.075 1.00 14.51 C ATOM 1071 CG ARG A 153 -8.013 9.878 -2.465 1.00 15.38 C ATOM 1072 CD ARG A 153 -7.987 10.725 -3.679 1.00 15.30 C ATOM 1073 NE ARG A 153 -6.636 11.071 -4.075 1.00 17.82 N ATOM 1074 CZ ARG A 153 -6.284 11.405 -5.310 1.00 25.77 C ATOM 1075 NH1 ARG A 153 -7.212 11.409 -6.260 1.00 25.11 N ATOM 1076 NH2 ARG A 153 -5.009 11.731 -5.588 1.00 22.53 N ATOM 1077 HE ARG A 153 -5.896 11.057 -3.345 1.00 0.00 H ATOM 1078 HH12 ARG A 153 -6.957 11.668 -7.235 1.00 0.00 H ATOM 1079 HH11 ARG A 153 -8.193 11.153 -6.029 1.00 0.00 H ATOM 1080 HH22 ARG A 153 -4.739 11.992 -6.558 1.00 0.00 H ATOM 1081 HH21 ARG A 153 -4.294 11.722 -4.833 1.00 0.00 H ATOM 1082 H ARG A 153 -8.862 6.948 -2.012 1.00 0.00 H ATOM 1083 N LEU A 154 -11.170 9.244 0.885 1.00 13.03 N ATOM 1084 CA LEU A 154 -12.515 9.315 1.480 1.00 13.40 C ATOM 1085 C LEU A 154 -13.276 10.599 1.184 1.00 11.21 C ATOM 1086 O LEU A 154 -14.514 10.583 1.174 1.00 11.20 O ATOM 1087 CB LEU A 154 -12.409 9.122 2.968 1.00 12.60 C ATOM 1088 CG LEU A 154 -11.736 7.843 3.436 1.00 18.12 C ATOM 1089 CD1 LEU A 154 -11.644 7.849 4.923 1.00 13.54 C ATOM 1090 CD2 LEU A 154 -12.490 6.632 3.029 1.00 20.49 C ATOM 1091 H LEU A 154 -10.362 9.663 1.388 1.00 0.00 H ATOM 1092 N ALA A 155 -12.556 11.678 0.961 1.00 10.96 N ATOM 1093 CA ALA A 155 -13.177 12.969 0.769 1.00 10.67 C ATOM 1094 C ALA A 155 -12.212 13.923 0.088 1.00 10.44 C ATOM 1095 O ALA A 155 -10.971 13.696 0.040 1.00 10.52 O ATOM 1096 CB ALA A 155 -13.674 13.534 2.127 1.00 10.71 C ATOM 1097 H ALA A 155 -11.520 11.600 0.922 1.00 0.00 H ATOM 1098 N THR A 156 -12.779 14.993 -0.434 1.00 10.27 N ATOM 1099 CA THR A 156 -12.060 16.058 -1.113 1.00 11.86 C ATOM 1100 C THR A 156 -12.440 17.427 -0.579 1.00 9.82 C ATOM 1101 O THR A 156 -13.611 17.712 -0.469 1.00 9.83 O ATOM 1102 CB THR A 156 -12.367 16.069 -2.633 1.00 10.63 C ATOM 1103 OG1 THR A 156 -12.140 14.765 -3.238 1.00 10.87 O ATOM 1104 CG2 THR A 156 -11.573 17.143 -3.396 1.00 10.07 C ATOM 1105 HG1 THR A 156 -12.346 14.811 -4.205 1.00 0.00 H ATOM 1106 H THR A 156 -13.812 15.081 -0.354 1.00 0.00 H ATOM 1107 N LEU A 157 -11.441 18.290 -0.305 1.00 10.91 N ATOM 1108 CA LEU A 157 -11.669 19.703 -0.038 1.00 10.79 C ATOM 1109 C LEU A 157 -10.917 20.455 -1.145 1.00 10.08 C ATOM 1110 O LEU A 157 -9.712 20.393 -1.258 1.00 11.21 O ATOM 1111 CB LEU A 157 -11.254 20.087 1.369 1.00 11.38 C ATOM 1112 CG LEU A 157 -11.757 21.496 1.723 1.00 13.71 C ATOM 1113 CD1 LEU A 157 -12.219 21.682 3.169 1.00 21.14 C ATOM 1114 CD2 LEU A 157 -10.683 22.487 1.341 1.00 11.87 C ATOM 1115 H LEU A 157 -10.465 17.931 -0.283 1.00 0.00 H ATOM 1116 N MET A 158 -11.679 21.133 -1.983 1.00 9.79 N ATOM 1117 CA MET A 158 -11.122 21.833 -3.137 1.00 10.15 C ATOM 1118 C MET A 158 -11.385 23.343 -2.949 1.00 11.93 C ATOM 1119 O MET A 158 -12.521 23.779 -2.641 1.00 13.18 O ATOM 1120 CB MET A 158 -11.733 21.363 -4.457 1.00 14.60 C ATOM 1121 CG MET A 158 -11.186 22.082 -5.689 1.00 22.78 C ATOM 1122 SD MET A 158 -12.037 21.688 -7.233 1.00 22.75 S ATOM 1123 CE MET A 158 -13.708 22.121 -6.824 1.00 25.39 C ATOM 1124 H MET A 158 -12.705 21.170 -1.817 1.00 0.00 H ATOM 1125 N VAL A 159 -10.328 24.142 -3.119 1.00 11.13 N ATOM 1126 CA VAL A 159 -10.445 25.605 -3.019 1.00 11.15 C ATOM 1127 C VAL A 159 -10.257 26.237 -4.368 1.00 10.45 C ATOM 1128 O VAL A 159 -9.287 25.916 -5.062 1.00 10.28 O ATOM 1129 CB VAL A 159 -9.403 26.208 -2.041 1.00 11.08 C ATOM 1130 CG1 VAL A 159 -9.744 27.672 -1.776 1.00 13.20 C ATOM 1131 CG2 VAL A 159 -9.313 25.449 -0.804 1.00 12.08 C ATOM 1132 H VAL A 159 -9.401 23.720 -3.327 1.00 0.00 H ATOM 1133 N TYR A 160 -11.171 27.129 -4.769 1.00 10.04 N ATOM 1134 CA TYR A 160 -10.957 27.939 -6.000 1.00 10.50 C ATOM 1135 C TYR A 160 -9.999 29.076 -5.685 1.00 10.66 C ATOM 1136 O TYR A 160 -10.309 29.930 -4.839 1.00 14.93 O ATOM 1137 CB TYR A 160 -12.281 28.519 -6.545 1.00 10.24 C ATOM 1138 CG TYR A 160 -13.338 27.471 -6.888 1.00 11.38 C ATOM 1139 CD1 TYR A 160 -13.170 26.625 -7.932 1.00 11.95 C ATOM 1140 CD2 TYR A 160 -14.492 27.358 -6.126 1.00 13.65 C ATOM 1141 CE1 TYR A 160 -14.135 25.648 -8.243 1.00 15.32 C ATOM 1142 CE2 TYR A 160 -15.452 26.383 -6.410 1.00 16.60 C ATOM 1143 CZ TYR A 160 -15.257 25.538 -7.477 1.00 16.22 C ATOM 1144 OH TYR A 160 -16.233 24.592 -7.778 1.00 18.71 O ATOM 1145 HH TYR A 160 -15.948 24.065 -8.566 1.00 0.00 H ATOM 1146 H TYR A 160 -12.041 27.258 -4.214 1.00 0.00 H ATOM 1147 N LEU A 161 -8.820 29.059 -6.307 1.00 10.88 N ATOM 1148 CA LEU A 161 -7.854 30.138 -6.106 1.00 12.99 C ATOM 1149 C LEU A 161 -8.064 31.260 -7.103 1.00 12.17 C ATOM 1150 O LEU A 161 -7.798 32.413 -6.771 1.00 12.26 O ATOM 1151 CB LEU A 161 -6.423 29.622 -6.217 1.00 10.69 C ATOM 1152 CG LEU A 161 -6.077 28.435 -5.306 1.00 12.54 C ATOM 1153 CD1 LEU A 161 -4.566 28.172 -5.386 1.00 13.76 C ATOM 1154 CD2 LEU A 161 -6.470 28.601 -3.885 1.00 9.09 C ATOM 1155 H LEU A 161 -8.585 28.270 -6.942 1.00 0.00 H ATOM 1156 N LYS A 162 -8.500 30.916 -8.308 1.00 12.87 N ATOM 1157 CA LYS A 162 -8.776 31.885 -9.352 1.00 13.53 C ATOM 1158 C LYS A 162 -9.936 31.384 -10.221 1.00 15.81 C ATOM 1159 O LYS A 162 -9.959 30.214 -10.658 1.00 12.93 O ATOM 1160 CB LYS A 162 -7.539 32.145 -10.209 1.00 12.82 C ATOM 1161 CG LYS A 162 -7.760 33.267 -11.260 1.00 19.70 C ATOM 1162 CD LYS A 162 -6.440 33.744 -11.888 1.00 24.20 C ATOM 1163 CE LYS A 162 -6.679 34.997 -12.743 1.00 20.57 C ATOM 1164 NZ LYS A 162 -5.389 35.593 -13.189 1.00 31.73 N ATOM 1165 HZ1 LYS A 162 -4.825 35.859 -12.357 1.00 0.00 H ATOM 1166 HZ2 LYS A 162 -4.865 34.897 -13.756 1.00 0.00 H ATOM 1167 HZ3 LYS A 162 -5.580 36.438 -13.765 1.00 0.00 H ATOM 1168 H LYS A 162 -8.651 29.908 -8.513 1.00 0.00 H ATOM 1169 N ALA A 163 -10.922 32.246 -10.427 1.00 14.42 N ATOM 1170 CA ALA A 163 -12.093 31.921 -11.248 1.00 17.31 C ATOM 1171 C ALA A 163 -11.987 32.469 -12.679 1.00 19.40 C ATOM 1172 O ALA A 163 -11.301 33.483 -12.894 1.00 19.70 O ATOM 1173 CB ALA A 163 -13.329 32.468 -10.583 1.00 20.21 C ATOM 1174 H ALA A 163 -10.863 33.188 -9.990 1.00 0.00 H ATOM 1175 N PRO A 164 -12.674 31.818 -13.638 1.00 16.81 N ATOM 1176 CA PRO A 164 -12.806 32.297 -15.026 1.00 16.30 C ATOM 1177 C PRO A 164 -13.420 33.660 -15.063 1.00 15.14 C ATOM 1178 O PRO A 164 -14.033 34.104 -14.083 1.00 19.00 O ATOM 1179 CB PRO A 164 -13.725 31.273 -15.673 1.00 16.34 C ATOM 1180 CG PRO A 164 -13.507 30.017 -14.906 1.00 16.53 C ATOM 1181 CD PRO A 164 -13.282 30.484 -13.484 1.00 17.59 C ATOM 1182 N GLU A 165 -13.337 34.257 -16.238 1.00 23.88 N ATOM 1183 CA GLU A 165 -13.968 35.535 -16.504 1.00 21.06 C ATOM 1184 C GLU A 165 -15.506 35.437 -16.538 1.00 18.50 C ATOM 1185 O GLU A 165 -16.071 34.339 -16.382 1.00 20.26 O ATOM 1186 CB GLU A 165 -13.375 36.059 -17.812 1.00 20.20 C ATOM 1187 CG GLU A 165 -11.941 36.594 -17.601 1.00 25.60 C ATOM 1188 CD GLU A 165 -11.163 36.869 -18.883 1.00 29.19 C ATOM 1189 OE1 GLU A 165 -11.771 36.906 -19.977 1.00 36.42 O ATOM 1190 OE2 GLU A 165 -9.915 37.048 -18.779 1.00 29.40 O ATOM 1191 H GLU A 165 -12.800 33.794 -16.999 1.00 0.00 H ATOM 1192 N GLU A 166 -16.194 36.576 -16.708 1.00 16.67 N ATOM 1193 CA GLU A 166 -17.635 36.594 -16.815 1.00 18.77 C ATOM 1194 C GLU A 166 -18.046 35.728 -18.024 1.00 20.56 C ATOM 1195 O GLU A 166 -17.498 35.873 -19.112 1.00 17.58 O ATOM 1196 CB GLU A 166 -18.154 38.035 -16.970 1.00 23.62 C ATOM 1197 CG GLU A 166 -19.595 38.206 -16.604 1.00 25.35 C ATOM 1198 CD GLU A 166 -19.796 38.266 -15.095 1.00 38.30 C ATOM 1199 OE1 GLU A 166 -18.810 38.554 -14.365 1.00 43.78 O ATOM 1200 OE2 GLU A 166 -20.931 38.032 -14.640 1.00 38.87 O ATOM 1201 H GLU A 166 -15.674 37.475 -16.765 1.00 0.00 H ATOM 1202 N GLY A 167 -18.980 34.799 -17.827 1.00 21.15 N ATOM 1203 CA GLY A 167 -19.364 33.902 -18.902 1.00 18.09 C ATOM 1204 C GLY A 167 -18.275 32.883 -19.214 1.00 22.20 C ATOM 1205 O GLY A 167 -18.233 32.276 -20.296 1.00 25.41 O ATOM 1206 H GLY A 167 -19.437 34.716 -16.897 1.00 0.00 H ATOM 1207 N GLY A 168 -17.393 32.659 -18.244 1.00 17.48 N ATOM 1208 CA GLY A 168 -16.185 31.896 -18.515 1.00 14.87 C ATOM 1209 C GLY A 168 -16.227 30.398 -18.302 1.00 16.26 C ATOM 1210 O GLY A 168 -15.187 29.761 -18.468 1.00 22.21 O ATOM 1211 H GLY A 168 -17.568 33.031 -17.289 1.00 0.00 H ATOM 1212 N GLY A 169 -17.373 29.854 -17.938 1.00 17.66 N ATOM 1213 CA GLY A 169 -17.499 28.415 -17.765 1.00 18.84 C ATOM 1214 C GLY A 169 -16.680 27.952 -16.576 1.00 17.67 C ATOM 1215 O GLY A 169 -16.590 28.637 -15.547 1.00 17.47 O ATOM 1216 H GLY A 169 -18.199 30.464 -17.772 1.00 0.00 H ATOM 1217 N GLY A 170 -16.081 26.769 -16.707 1.00 15.54 N ATOM 1218 CA GLY A 170 -15.230 26.220 -15.665 1.00 15.92 C ATOM 1219 C GLY A 170 -15.976 25.844 -14.401 1.00 14.43 C ATOM 1220 O GLY A 170 -15.411 25.786 -13.330 1.00 13.19 O ATOM 1221 H GLY A 170 -16.227 26.223 -17.580 1.00 0.00 H ATOM 1222 N GLU A 171 -17.268 25.555 -14.505 1.00 15.13 N ATOM 1223 CA GLU A 171 -17.968 25.095 -13.317 1.00 11.18 C ATOM 1224 C GLU A 171 -17.490 23.700 -12.853 1.00 13.15 C ATOM 1225 O GLU A 171 -17.007 22.919 -13.674 1.00 16.19 O ATOM 1226 CB GLU A 171 -19.452 25.051 -13.579 1.00 14.77 C ATOM 1227 CG GLU A 171 -20.036 26.406 -13.906 1.00 22.13 C ATOM 1228 CD GLU A 171 -20.216 26.621 -15.385 1.00 30.57 C ATOM 1229 OE1 GLU A 171 -19.422 26.085 -16.225 1.00 19.93 O ATOM 1230 OE2 GLU A 171 -21.195 27.345 -15.706 1.00 33.65 O ATOM 1231 H GLU A 171 -17.766 25.655 -15.413 1.00 0.00 H ATOM 1232 N THR A 172 -17.721 23.406 -11.577 1.00 11.54 N ATOM 1233 CA THR A 172 -17.577 22.047 -11.069 1.00 12.86 C ATOM 1234 C THR A 172 -18.954 21.416 -11.145 1.00 14.92 C ATOM 1235 O THR A 172 -19.887 21.924 -10.536 1.00 16.45 O ATOM 1236 CB THR A 172 -17.063 21.995 -9.633 1.00 13.50 C ATOM 1237 OG1 THR A 172 -15.864 22.762 -9.523 1.00 12.53 O ATOM 1238 CG2 THR A 172 -16.791 20.558 -9.177 1.00 15.85 C ATOM 1239 HG1 THR A 172 -15.178 22.389 -10.131 1.00 0.00 H ATOM 1240 H THR A 172 -18.011 24.163 -10.926 1.00 0.00 H ATOM 1241 N ASP A 173 -19.078 20.334 -11.917 1.00 12.21 N ATOM 1242 CA ASP A 173 -20.339 19.704 -12.188 1.00 13.20 C ATOM 1243 C ASP A 173 -20.484 18.424 -11.347 1.00 11.90 C ATOM 1244 O ASP A 173 -19.554 17.598 -11.287 1.00 13.69 O ATOM 1245 CB ASP A 173 -20.450 19.396 -13.693 1.00 15.23 C ATOM 1246 CG ASP A 173 -21.838 18.940 -14.125 1.00 24.29 C ATOM 1247 OD1 ASP A 173 -22.829 19.227 -13.426 1.00 20.95 O ATOM 1248 OD2 ASP A 173 -21.954 18.268 -15.164 1.00 27.89 O ATOM 1249 H ASP A 173 -18.220 19.928 -12.342 1.00 0.00 H ATOM 1250 N PHE A 174 -21.627 18.279 -10.673 1.00 11.87 N ATOM 1251 CA PHE A 174 -22.010 17.021 -10.036 1.00 11.74 C ATOM 1252 C PHE A 174 -23.271 16.555 -10.742 1.00 12.32 C ATOM 1253 O PHE A 174 -24.394 16.837 -10.301 1.00 12.57 O ATOM 1254 CB PHE A 174 -22.263 17.189 -8.512 1.00 11.54 C ATOM 1255 CG PHE A 174 -21.042 17.596 -7.701 1.00 11.69 C ATOM 1256 CD1 PHE A 174 -20.241 16.669 -7.086 1.00 12.96 C ATOM 1257 CD2 PHE A 174 -20.749 18.936 -7.506 1.00 15.93 C ATOM 1258 CE1 PHE A 174 -19.159 17.062 -6.329 1.00 13.94 C ATOM 1259 CE2 PHE A 174 -19.656 19.328 -6.755 1.00 17.70 C ATOM 1260 CZ PHE A 174 -18.860 18.369 -6.163 1.00 16.46 C ATOM 1261 H PHE A 174 -22.270 19.093 -10.598 1.00 0.00 H ATOM 1262 N PRO A 175 -23.122 15.827 -11.873 1.00 14.22 N ATOM 1263 CA PRO A 175 -24.291 15.564 -12.721 1.00 17.29 C ATOM 1264 C PRO A 175 -25.374 14.717 -12.073 1.00 14.97 C ATOM 1265 O PRO A 175 -26.550 14.932 -12.369 1.00 17.50 O ATOM 1266 CB PRO A 175 -23.693 14.847 -13.948 1.00 21.91 C ATOM 1267 CG PRO A 175 -22.353 14.437 -13.547 1.00 21.00 C ATOM 1268 CD PRO A 175 -21.860 15.376 -12.483 1.00 14.14 C ATOM 1269 N THR A 176 -25.004 13.781 -11.195 1.00 14.70 N ATOM 1270 CA THR A 176 -25.988 12.918 -10.563 1.00 17.12 C ATOM 1271 C THR A 176 -26.774 13.704 -9.514 1.00 16.47 C ATOM 1272 O THR A 176 -27.932 13.414 -9.242 1.00 20.67 O ATOM 1273 CB THR A 176 -25.303 11.713 -9.954 1.00 23.36 C ATOM 1274 OG1 THR A 176 -24.573 11.051 -10.989 1.00 19.47 O ATOM 1275 CG2 THR A 176 -26.319 10.761 -9.262 1.00 24.32 C ATOM 1276 HG1 THR A 176 -24.116 10.258 -10.613 1.00 0.00 H ATOM 1277 H THR A 176 -23.997 13.668 -10.960 1.00 0.00 H ATOM 1278 N LEU A 177 -26.168 14.744 -8.964 1.00 15.42 N ATOM 1279 CA LEU A 177 -26.863 15.564 -8.012 1.00 17.75 C ATOM 1280 C LEU A 177 -27.537 16.750 -8.666 1.00 16.54 C ATOM 1281 O LEU A 177 -28.225 17.529 -7.991 1.00 19.92 O ATOM 1282 CB LEU A 177 -25.898 16.034 -6.938 1.00 17.18 C ATOM 1283 CG LEU A 177 -25.243 14.956 -6.072 1.00 21.58 C ATOM 1284 CD1 LEU A 177 -24.180 15.597 -5.180 1.00 26.11 C ATOM 1285 CD2 LEU A 177 -26.241 14.185 -5.234 1.00 23.63 C ATOM 1286 H LEU A 177 -25.186 14.968 -9.222 1.00 0.00 H ATOM 1287 N LYS A 178 -27.376 16.898 -9.981 1.00 17.45 N ATOM 1288 CA LYS A 178 -28.003 17.983 -10.763 1.00 16.86 C ATOM 1289 C LYS A 178 -27.648 19.327 -10.193 1.00 21.21 C ATOM 1290 O LYS A 178 -28.457 20.247 -10.184 1.00 19.77 O ATOM 1291 CB LYS A 178 -29.544 17.804 -10.857 1.00 15.32 C ATOM 1292 CG LYS A 178 -29.864 16.603 -11.710 1.00 23.10 C ATOM 1293 CD LYS A 178 -31.326 16.520 -12.072 1.00 24.67 C ATOM 1294 CE LYS A 178 -31.644 15.194 -12.688 1.00 35.94 C ATOM 1295 NZ LYS A 178 -30.817 14.990 -13.908 1.00 43.48 N ATOM 1296 HZ1 LYS A 178 -31.021 15.745 -14.594 1.00 0.00 H ATOM 1297 HZ2 LYS A 178 -29.810 15.016 -13.651 1.00 0.00 H ATOM 1298 HZ3 LYS A 178 -31.044 14.067 -14.329 1.00 0.00 H ATOM 1299 H LYS A 178 -26.777 16.213 -10.483 1.00 0.00 H ATOM 1300 N THR A 179 -26.376 19.463 -9.815 1.00 12.98 N ATOM 1301 CA THR A 179 -25.862 20.734 -9.370 1.00 15.50 C ATOM 1302 C THR A 179 -24.468 21.069 -9.964 1.00 15.09 C ATOM 1303 O THR A 179 -23.627 20.205 -10.149 1.00 14.44 O ATOM 1304 CB THR A 179 -25.856 20.762 -7.811 1.00 20.57 C ATOM 1305 OG1 THR A 179 -25.608 22.103 -7.360 1.00 37.67 O ATOM 1306 CG2 THR A 179 -24.806 19.849 -7.259 1.00 25.86 C ATOM 1307 HG1 THR A 179 -25.604 22.122 -6.370 1.00 0.00 H ATOM 1308 H THR A 179 -25.744 18.637 -9.842 1.00 0.00 H ATOM 1309 N LYS A 180 -24.298 22.316 -10.379 1.00 14.54 N ATOM 1310 CA LYS A 180 -23.016 22.887 -10.837 1.00 17.84 C ATOM 1311 C LYS A 180 -22.630 24.075 -9.977 1.00 24.49 C ATOM 1312 O LYS A 180 -23.424 25.022 -9.864 1.00 27.25 O ATOM 1313 CB LYS A 180 -23.097 23.405 -12.269 1.00 22.68 C ATOM 1314 CG LYS A 180 -23.523 22.450 -13.301 1.00 27.94 C ATOM 1315 CD LYS A 180 -23.590 23.149 -14.643 1.00 34.52 C ATOM 1316 CE LYS A 180 -24.270 22.252 -15.670 1.00 37.43 C ATOM 1317 NZ LYS A 180 -25.660 21.878 -15.252 1.00 44.87 N ATOM 1318 HZ1 LYS A 180 -25.623 21.368 -14.347 1.00 0.00 H ATOM 1319 HZ2 LYS A 180 -26.231 22.740 -15.142 1.00 0.00 H ATOM 1320 HZ3 LYS A 180 -26.087 21.268 -15.978 1.00 0.00 H ATOM 1321 H LYS A 180 -25.130 22.939 -10.382 1.00 0.00 H ATOM 1322 N ILE A 181 -21.403 24.061 -9.461 1.00 17.92 N ATOM 1323 CA ILE A 181 -20.856 25.140 -8.621 1.00 21.83 C ATOM 1324 C ILE A 181 -19.972 26.109 -9.414 1.00 24.70 C ATOM 1325 O ILE A 181 -19.023 25.691 -10.086 1.00 19.25 O ATOM 1326 CB ILE A 181 -20.033 24.548 -7.462 1.00 18.46 C ATOM 1327 CG1 ILE A 181 -20.796 23.451 -6.659 1.00 22.03 C ATOM 1328 CG2 ILE A 181 -19.478 25.669 -6.589 1.00 18.82 C ATOM 1329 CD1 ILE A 181 -21.971 23.922 -5.847 1.00 26.06 C ATOM 1330 H ILE A 181 -20.796 23.241 -9.663 1.00 0.00 H ATOM 1331 N LYS A 182 -20.241 27.414 -9.313 1.00 23.08 N ATOM 1332 CA LYS A 182 -19.497 28.405 -10.090 1.00 25.91 C ATOM 1333 C LYS A 182 -18.226 28.790 -9.289 1.00 14.26 C ATOM 1334 O LYS A 182 -18.318 29.117 -8.096 1.00 17.89 O ATOM 1335 CB LYS A 182 -20.385 29.642 -10.389 1.00 26.42 C ATOM 1336 CG LYS A 182 -19.639 30.893 -10.803 1.00 28.04 C ATOM 1337 CD LYS A 182 -20.644 32.060 -11.026 1.00 34.19 C ATOM 1338 CE LYS A 182 -19.983 33.433 -11.238 1.00 32.78 C ATOM 1339 NZ LYS A 182 -21.036 34.500 -11.275 1.00 40.43 N ATOM 1340 HZ1 LYS A 182 -21.694 34.309 -12.057 1.00 0.00 H ATOM 1341 HZ2 LYS A 182 -21.557 34.503 -10.375 1.00 0.00 H ATOM 1342 HZ3 LYS A 182 -20.585 35.426 -11.418 1.00 0.00 H ATOM 1343 H LYS A 182 -20.994 27.731 -8.669 1.00 0.00 H ATOM 1344 N PRO A 183 -17.043 28.714 -9.927 1.00 14.78 N ATOM 1345 CA PRO A 183 -15.842 29.106 -9.187 1.00 14.36 C ATOM 1346 C PRO A 183 -15.945 30.497 -8.663 1.00 14.56 C ATOM 1347 O PRO A 183 -16.451 31.371 -9.392 1.00 15.24 O ATOM 1348 CB PRO A 183 -14.740 29.017 -10.215 1.00 16.48 C ATOM 1349 CG PRO A 183 -15.179 27.931 -11.101 1.00 19.86 C ATOM 1350 CD PRO A 183 -16.672 28.162 -11.243 1.00 18.53 C ATOM 1351 N LYS A 184 -15.471 30.677 -7.439 1.00 12.29 N ATOM 1352 CA LYS A 184 -15.350 32.006 -6.807 1.00 15.28 C ATOM 1353 C LYS A 184 -14.067 32.010 -5.976 1.00 14.99 C ATOM 1354 O LYS A 184 -13.889 31.101 -5.180 1.00 11.76 O ATOM 1355 CB LYS A 184 -16.546 32.308 -5.906 1.00 15.74 C ATOM 1356 CG LYS A 184 -16.539 33.704 -5.244 1.00 18.48 C ATOM 1357 CD LYS A 184 -17.770 33.892 -4.337 1.00 20.50 C ATOM 1358 CE LYS A 184 -17.880 35.353 -3.867 1.00 32.61 C ATOM 1359 NZ LYS A 184 -18.903 35.534 -2.770 1.00 41.73 N ATOM 1360 HZ1 LYS A 184 -19.838 35.238 -3.117 1.00 0.00 H ATOM 1361 HZ2 LYS A 184 -18.636 34.953 -1.950 1.00 0.00 H ATOM 1362 HZ3 LYS A 184 -18.937 36.535 -2.491 1.00 0.00 H ATOM 1363 H LYS A 184 -15.170 29.842 -6.897 1.00 0.00 H ATOM 1364 N LYS A 185 -13.206 33.032 -6.130 1.00 14.49 N ATOM 1365 CA LYS A 185 -11.960 33.130 -5.397 1.00 11.92 C ATOM 1366 C LYS A 185 -12.196 33.011 -3.910 1.00 12.07 C ATOM 1367 O LYS A 185 -13.016 33.739 -3.306 1.00 13.53 O ATOM 1368 CB LYS A 185 -11.257 34.452 -5.723 1.00 16.45 C ATOM 1369 CG LYS A 185 -9.848 34.555 -5.216 1.00 14.18 C ATOM 1370 CD LYS A 185 -9.264 35.920 -5.573 1.00 15.98 C ATOM 1371 CE LYS A 185 -7.783 35.946 -5.586 1.00 22.06 C ATOM 1372 NZ LYS A 185 -7.327 35.492 -6.934 1.00 33.58 N ATOM 1373 HZ1 LYS A 185 -7.672 34.526 -7.108 1.00 0.00 H ATOM 1374 HZ2 LYS A 185 -7.705 36.133 -7.661 1.00 0.00 H ATOM 1375 HZ3 LYS A 185 -6.288 35.502 -6.968 1.00 0.00 H ATOM 1376 H LYS A 185 -13.445 33.786 -6.806 1.00 0.00 H ATOM 1377 N GLY A 186 -11.508 32.034 -3.321 1.00 12.79 N ATOM 1378 CA GLY A 186 -11.553 31.814 -1.912 1.00 11.04 C ATOM 1379 C GLY A 186 -12.560 30.817 -1.399 1.00 11.78 C ATOM 1380 O GLY A 186 -12.495 30.477 -0.227 1.00 11.93 O ATOM 1381 H GLY A 186 -10.918 31.410 -3.908 1.00 0.00 H ATOM 1382 N THR A 187 -13.515 30.441 -2.239 1.00 12.40 N ATOM 1383 CA THR A 187 -14.570 29.492 -1.892 1.00 11.26 C ATOM 1384 C THR A 187 -14.048 28.085 -1.937 1.00 10.77 C ATOM 1385 O THR A 187 -13.295 27.740 -2.830 1.00 11.40 O ATOM 1386 CB THR A 187 -15.749 29.624 -2.862 1.00 9.81 C ATOM 1387 OG1 THR A 187 -16.375 30.930 -2.731 1.00 12.82 O ATOM 1388 CG2 THR A 187 -16.794 28.551 -2.678 1.00 11.79 C ATOM 1389 HG1 THR A 187 -16.706 31.045 -1.805 1.00 0.00 H ATOM 1390 H THR A 187 -13.513 30.844 -3.198 1.00 0.00 H ATOM 1391 N SER A 188 -14.454 27.289 -0.959 1.00 10.15 N ATOM 1392 CA SER A 188 -14.148 25.850 -0.982 1.00 13.08 C ATOM 1393 C SER A 188 -15.410 25.035 -1.248 1.00 12.14 C ATOM 1394 O SER A 188 -16.540 25.429 -0.893 1.00 11.96 O ATOM 1395 CB SER A 188 -13.487 25.362 0.338 1.00 13.39 C ATOM 1396 OG SER A 188 -14.358 25.533 1.447 1.00 17.37 O ATOM 1397 HG SER A 188 -13.909 25.214 2.270 1.00 0.00 H ATOM 1398 H SER A 188 -14.996 27.686 -0.165 1.00 0.00 H ATOM 1399 N ILE A 189 -15.196 23.855 -1.853 1.00 11.48 N ATOM 1400 CA ILE A 189 -16.218 22.827 -1.965 1.00 12.45 C ATOM 1401 C ILE A 189 -15.638 21.593 -1.323 1.00 11.67 C ATOM 1402 O ILE A 189 -14.575 21.118 -1.721 1.00 12.52 O ATOM 1403 CB ILE A 189 -16.643 22.495 -3.407 1.00 10.74 C ATOM 1404 CG1 ILE A 189 -17.197 23.704 -4.163 1.00 19.47 C ATOM 1405 CG2 ILE A 189 -17.688 21.428 -3.390 1.00 13.30 C ATOM 1406 CD1 ILE A 189 -18.494 24.279 -3.594 1.00 30.29 C ATOM 1407 H ILE A 189 -14.257 23.668 -2.260 1.00 0.00 H ATOM 1408 N PHE A 190 -16.320 21.101 -0.307 1.00 9.81 N ATOM 1409 CA PHE A 190 -16.042 19.792 0.315 1.00 10.26 C ATOM 1410 C PHE A 190 -17.012 18.717 -0.237 1.00 10.19 C ATOM 1411 O PHE A 190 -18.230 18.933 -0.294 1.00 11.76 O ATOM 1412 CB PHE A 190 -16.175 19.878 1.839 1.00 10.14 C ATOM 1413 CG PHE A 190 -16.019 18.562 2.531 1.00 11.48 C ATOM 1414 CD1 PHE A 190 -14.765 18.101 2.868 1.00 11.74 C ATOM 1415 CD2 PHE A 190 -17.107 17.761 2.783 1.00 12.71 C ATOM 1416 CE1 PHE A 190 -14.605 16.876 3.510 1.00 12.91 C ATOM 1417 CE2 PHE A 190 -16.961 16.517 3.410 1.00 10.70 C ATOM 1418 CZ PHE A 190 -15.711 16.080 3.760 1.00 12.07 C ATOM 1419 H PHE A 190 -17.101 21.670 0.079 1.00 0.00 H ATOM 1420 N PHE A 191 -16.517 17.533 -0.625 1.00 10.07 N ATOM 1421 CA PHE A 191 -17.444 16.475 -0.924 1.00 10.29 C ATOM 1422 C PHE A 191 -16.922 15.110 -0.534 1.00 10.42 C ATOM 1423 O PHE A 191 -15.721 14.834 -0.574 1.00 10.34 O ATOM 1424 CB PHE A 191 -17.856 16.467 -2.438 1.00 10.29 C ATOM 1425 CG PHE A 191 -16.700 16.367 -3.420 1.00 10.13 C ATOM 1426 CD1 PHE A 191 -16.058 17.504 -3.890 1.00 9.90 C ATOM 1427 CD2 PHE A 191 -16.276 15.114 -3.944 1.00 10.77 C ATOM 1428 CE1 PHE A 191 -15.041 17.413 -4.835 1.00 9.81 C ATOM 1429 CE2 PHE A 191 -15.239 15.031 -4.841 1.00 10.22 C ATOM 1430 CZ PHE A 191 -14.642 16.191 -5.318 1.00 12.05 C ATOM 1431 H PHE A 191 -15.491 17.384 -0.707 1.00 0.00 H ATOM 1432 N TRP A 192 -17.861 14.247 -0.194 1.00 10.84 N ATOM 1433 CA TRP A 192 -17.526 12.866 0.170 1.00 13.62 C ATOM 1434 C TRP A 192 -17.227 12.034 -1.068 1.00 12.06 C ATOM 1435 O TRP A 192 -17.884 12.162 -2.089 1.00 12.49 O ATOM 1436 CB TRP A 192 -18.666 12.221 0.977 1.00 12.31 C ATOM 1437 CG TRP A 192 -18.767 12.773 2.337 1.00 14.32 C ATOM 1438 CD1 TRP A 192 -19.606 13.755 2.747 1.00 12.40 C ATOM 1439 CD2 TRP A 192 -17.973 12.410 3.477 1.00 13.33 C ATOM 1440 NE1 TRP A 192 -19.394 14.026 4.087 1.00 16.05 N ATOM 1441 CE2 TRP A 192 -18.406 13.202 4.557 1.00 15.16 C ATOM 1442 CE3 TRP A 192 -16.957 11.459 3.699 1.00 12.03 C ATOM 1443 CZ2 TRP A 192 -17.843 13.097 5.844 1.00 19.98 C ATOM 1444 CZ3 TRP A 192 -16.408 11.352 4.981 1.00 16.00 C ATOM 1445 CH2 TRP A 192 -16.853 12.158 6.026 1.00 20.99 C ATOM 1446 HE1 TRP A 192 -19.903 14.740 4.647 1.00 0.00 H ATOM 1447 H TRP A 192 -18.855 14.551 -0.184 1.00 0.00 H ATOM 1448 N VAL A 193 -16.176 11.227 -0.981 1.00 12.89 N ATOM 1449 CA VAL A 193 -15.726 10.360 -2.084 1.00 13.31 C ATOM 1450 C VAL A 193 -16.026 8.872 -1.797 1.00 12.60 C ATOM 1451 O VAL A 193 -16.472 8.129 -2.677 1.00 14.34 O ATOM 1452 CB VAL A 193 -14.209 10.586 -2.356 1.00 11.53 C ATOM 1453 CG1 VAL A 193 -13.674 9.576 -3.441 1.00 12.09 C ATOM 1454 CG2 VAL A 193 -13.942 11.989 -2.854 1.00 12.71 C ATOM 1455 H VAL A 193 -15.643 11.206 -0.088 1.00 0.00 H ATOM 1456 N ALA A 194 -15.774 8.439 -0.568 1.00 14.08 N ATOM 1457 CA ALA A 194 -15.987 7.042 -0.196 1.00 14.72 C ATOM 1458 C ALA A 194 -16.382 6.906 1.275 1.00 14.78 C ATOM 1459 O ALA A 194 -16.171 7.804 2.091 1.00 15.26 O ATOM 1460 CB ALA A 194 -14.712 6.179 -0.503 1.00 14.33 C ATOM 1461 H ALA A 194 -15.418 9.107 0.145 1.00 0.00 H ATOM 1462 N ASP A 195 -16.964 5.746 1.577 1.00 16.37 N ATOM 1463 CA ASP A 195 -17.473 5.423 2.887 1.00 14.24 C ATOM 1464 C ASP A 195 -16.298 5.080 3.807 1.00 17.44 C ATOM 1465 O ASP A 195 -15.511 4.218 3.467 1.00 17.13 O ATOM 1466 CB ASP A 195 -18.443 4.244 2.730 1.00 17.04 C ATOM 1467 CG ASP A 195 -19.139 3.878 4.005 1.00 32.18 C ATOM 1468 OD1 ASP A 195 -18.504 3.921 5.083 1.00 28.55 O ATOM 1469 OD2 ASP A 195 -20.339 3.530 3.897 1.00 36.92 O ATOM 1470 H ASP A 195 -17.056 5.033 0.825 1.00 0.00 H ATOM 1471 N PRO A 196 -16.141 5.785 4.942 1.00 17.41 N ATOM 1472 CA PRO A 196 -14.987 5.501 5.803 1.00 17.94 C ATOM 1473 C PRO A 196 -14.932 4.079 6.342 1.00 17.61 C ATOM 1474 O PRO A 196 -13.832 3.652 6.677 1.00 23.79 O ATOM 1475 CB PRO A 196 -15.158 6.499 6.953 1.00 20.95 C ATOM 1476 CG PRO A 196 -15.833 7.642 6.338 1.00 16.72 C ATOM 1477 CD PRO A 196 -16.805 7.039 5.346 1.00 15.69 C ATOM 1478 N VAL A 197 -16.057 3.379 6.411 1.00 18.50 N ATOM 1479 CA VAL A 197 -16.103 2.030 6.985 1.00 24.51 C ATOM 1480 C VAL A 197 -15.729 1.019 5.912 1.00 25.94 C ATOM 1481 O VAL A 197 -14.789 0.247 6.072 1.00 28.98 O ATOM 1482 CB VAL A 197 -17.478 1.728 7.584 1.00 31.02 C ATOM 1483 CG1 VAL A 197 -17.495 0.341 8.148 1.00 29.12 C ATOM 1484 CG2 VAL A 197 -17.816 2.749 8.674 1.00 30.65 C ATOM 1485 H VAL A 197 -16.935 3.801 6.046 1.00 0.00 H ATOM 1486 N THR A 198 -16.450 1.042 4.798 1.00 18.69 N ATOM 1487 CA THR A 198 -16.226 0.049 3.724 1.00 18.82 C ATOM 1488 C THR A 198 -15.189 0.445 2.681 1.00 20.75 C ATOM 1489 O THR A 198 -14.696 -0.410 1.906 1.00 19.28 O ATOM 1490 CB THR A 198 -17.524 -0.227 2.965 1.00 24.98 C ATOM 1491 OG1 THR A 198 -17.897 0.954 2.233 1.00 20.33 O ATOM 1492 CG2 THR A 198 -18.665 -0.638 3.931 1.00 27.93 C ATOM 1493 HG1 THR A 198 -18.737 0.783 1.739 1.00 0.00 H ATOM 1494 H THR A 198 -17.184 1.769 4.678 1.00 0.00 H ATOM 1495 N ARG A 199 -14.915 1.750 2.634 1.00 17.85 N ATOM 1496 CA ARG A 199 -14.123 2.388 1.563 1.00 16.97 C ATOM 1497 C ARG A 199 -14.698 2.216 0.124 1.00 14.78 C ATOM 1498 O ARG A 199 -14.012 2.514 -0.845 1.00 14.78 O ATOM 1499 CB ARG A 199 -12.665 1.906 1.661 1.00 17.53 C ATOM 1500 CG ARG A 199 -12.070 2.171 3.060 1.00 20.88 C ATOM 1501 CD ARG A 199 -10.611 1.721 3.193 1.00 25.58 C ATOM 1502 NE ARG A 199 -10.361 0.419 2.556 1.00 23.10 N ATOM 1503 CZ ARG A 199 -10.626 -0.757 3.114 1.00 30.36 C ATOM 1504 NH1 ARG A 199 -11.164 -0.807 4.330 1.00 34.68 N ATOM 1505 NH2 ARG A 199 -10.359 -1.882 2.455 1.00 35.34 N ATOM 1506 HE ARG A 199 -9.948 0.419 1.602 1.00 0.00 H ATOM 1507 HH12 ARG A 199 -11.372 -1.726 4.769 1.00 0.00 H ATOM 1508 HH11 ARG A 199 -11.376 0.073 4.841 1.00 0.00 H ATOM 1509 HH22 ARG A 199 -10.567 -2.803 2.892 1.00 0.00 H ATOM 1510 HH21 ARG A 199 -9.943 -1.841 1.503 1.00 0.00 H ATOM 1511 H ARG A 199 -15.281 2.354 3.397 1.00 0.00 H ATOM 1512 N LYS A 200 -15.967 1.843 -0.001 1.00 15.65 N ATOM 1513 CA LYS A 200 -16.653 1.855 -1.294 1.00 14.41 C ATOM 1514 C LYS A 200 -17.031 3.286 -1.694 1.00 14.24 C ATOM 1515 O LYS A 200 -17.384 4.076 -0.838 1.00 15.38 O ATOM 1516 CB LYS A 200 -17.916 0.992 -1.289 1.00 18.28 C ATOM 1517 CG LYS A 200 -17.612 -0.501 -1.124 1.00 22.02 C ATOM 1518 CD LYS A 200 -18.885 -1.302 -1.188 1.00 22.06 C ATOM 1519 CE LYS A 200 -18.621 -2.757 -0.903 1.00 28.09 C ATOM 1520 NZ LYS A 200 -19.876 -3.541 -0.783 1.00 42.49 N ATOM 1521 HZ1 LYS A 200 -20.450 -3.158 -0.005 1.00 0.00 H ATOM 1522 HZ2 LYS A 200 -20.410 -3.477 -1.673 1.00 0.00 H ATOM 1523 HZ3 LYS A 200 -19.644 -4.536 -0.587 1.00 0.00 H ATOM 1524 H LYS A 200 -16.488 1.534 0.844 1.00 0.00 H ATOM 1525 N LEU A 201 -17.010 3.591 -2.988 1.00 16.75 N ATOM 1526 CA LEU A 201 -17.351 4.922 -3.464 1.00 14.81 C ATOM 1527 C LEU A 201 -18.820 5.323 -3.218 1.00 16.74 C ATOM 1528 O LEU A 201 -19.746 4.495 -3.344 1.00 17.42 O ATOM 1529 CB LEU A 201 -17.115 5.028 -4.970 1.00 14.48 C ATOM 1530 CG LEU A 201 -15.682 4.909 -5.494 1.00 15.74 C ATOM 1531 CD1 LEU A 201 -15.745 5.082 -7.038 1.00 15.06 C ATOM 1532 CD2 LEU A 201 -14.750 5.883 -4.890 1.00 18.13 C ATOM 1533 H LEU A 201 -16.743 2.859 -3.677 1.00 0.00 H ATOM 1534 N TYR A 202 -19.021 6.601 -2.935 1.00 15.98 N ATOM 1535 CA TYR A 202 -20.342 7.224 -3.133 1.00 12.48 C ATOM 1536 C TYR A 202 -20.399 7.615 -4.604 1.00 12.53 C ATOM 1537 O TYR A 202 -19.803 8.628 -4.967 1.00 14.56 O ATOM 1538 CB TYR A 202 -20.525 8.469 -2.249 1.00 13.98 C ATOM 1539 CG TYR A 202 -20.453 8.211 -0.768 1.00 15.40 C ATOM 1540 CD1 TYR A 202 -21.496 7.573 -0.111 1.00 14.12 C ATOM 1541 CD2 TYR A 202 -19.360 8.622 -0.020 1.00 16.85 C ATOM 1542 CE1 TYR A 202 -21.431 7.339 1.253 1.00 14.49 C ATOM 1543 CE2 TYR A 202 -19.298 8.408 1.323 1.00 16.19 C ATOM 1544 CZ TYR A 202 -20.331 7.767 1.970 1.00 18.06 C ATOM 1545 OH TYR A 202 -20.229 7.541 3.351 1.00 19.80 O ATOM 1546 HH TYR A 202 -21.042 7.075 3.669 1.00 0.00 H ATOM 1547 H TYR A 202 -18.235 7.174 -2.567 1.00 0.00 H ATOM 1548 N LYS A 203 -21.074 6.855 -5.462 1.00 19.09 N ATOM 1549 CA LYS A 203 -21.104 7.235 -6.867 1.00 17.32 C ATOM 1550 C LYS A 203 -21.965 8.495 -7.127 1.00 16.68 C ATOM 1551 O LYS A 203 -21.864 9.098 -8.204 1.00 15.59 O ATOM 1552 CB LYS A 203 -21.568 6.062 -7.730 1.00 21.63 C ATOM 1553 CG LYS A 203 -20.500 4.967 -7.803 1.00 25.50 C ATOM 1554 CD LYS A 203 -20.987 3.820 -8.622 1.00 26.93 C ATOM 1555 CE LYS A 203 -20.258 2.524 -8.291 1.00 34.12 C ATOM 1556 NZ LYS A 203 -20.982 1.346 -8.891 1.00 46.89 N ATOM 1557 HZ1 LYS A 203 -21.947 1.301 -8.505 1.00 0.00 H ATOM 1558 HZ2 LYS A 203 -21.025 1.457 -9.924 1.00 0.00 H ATOM 1559 HZ3 LYS A 203 -20.472 0.471 -8.656 1.00 0.00 H ATOM 1560 H LYS A 203 -21.572 6.003 -5.134 1.00 0.00 H ATOM 1561 N GLU A 204 -22.724 8.935 -6.120 1.00 14.44 N ATOM 1562 CA GLU A 204 -23.410 10.238 -6.186 1.00 19.15 C ATOM 1563 C GLU A 204 -22.496 11.457 -6.434 1.00 14.75 C ATOM 1564 O GLU A 204 -22.948 12.499 -6.845 1.00 13.94 O ATOM 1565 CB GLU A 204 -24.192 10.477 -4.893 1.00 18.42 C ATOM 1566 CG GLU A 204 -25.346 9.489 -4.683 1.00 20.94 C ATOM 1567 CD GLU A 204 -24.957 8.193 -3.987 1.00 22.44 C ATOM 1568 OE1 GLU A 204 -23.757 7.914 -3.755 1.00 18.11 O ATOM 1569 OE2 GLU A 204 -25.897 7.416 -3.702 1.00 28.35 O ATOM 1570 H GLU A 204 -22.833 8.345 -5.270 1.00 0.00 H ATOM 1571 N THR A 205 -21.217 11.345 -6.136 1.00 13.24 N ATOM 1572 CA THR A 205 -20.315 12.486 -6.303 1.00 11.57 C ATOM 1573 C THR A 205 -19.368 12.320 -7.456 1.00 13.66 C ATOM 1574 O THR A 205 -18.311 12.937 -7.469 1.00 12.23 O ATOM 1575 CB THR A 205 -19.517 12.760 -4.999 1.00 11.24 C ATOM 1576 OG1 THR A 205 -18.823 11.571 -4.600 1.00 12.58 O ATOM 1577 CG2 THR A 205 -20.440 13.184 -3.911 1.00 12.35 C ATOM 1578 HG1 THR A 205 -18.316 11.750 -3.769 1.00 0.00 H ATOM 1579 H THR A 205 -20.846 10.441 -5.780 1.00 0.00 H ATOM 1580 N LEU A 206 -19.831 11.576 -8.477 1.00 12.25 N ATOM 1581 CA LEU A 206 -19.301 11.738 -9.846 1.00 13.40 C ATOM 1582 C LEU A 206 -19.212 13.237 -10.143 1.00 13.95 C ATOM 1583 O LEU A 206 -20.147 13.966 -9.930 1.00 13.83 O ATOM 1584 CB LEU A 206 -20.206 11.038 -10.857 1.00 13.75 C ATOM 1585 CG LEU A 206 -19.876 11.103 -12.354 1.00 14.79 C ATOM 1586 CD1 LEU A 206 -18.652 10.237 -12.594 1.00 16.70 C ATOM 1587 CD2 LEU A 206 -21.081 10.626 -13.187 1.00 20.06 C ATOM 1588 H LEU A 206 -20.577 10.873 -8.299 1.00 0.00 H ATOM 1589 N HIS A 207 -18.059 13.684 -10.584 1.00 11.54 N ATOM 1590 CA HIS A 207 -17.926 15.129 -10.856 1.00 11.26 C ATOM 1591 C HIS A 207 -16.956 15.414 -12.003 1.00 12.85 C ATOM 1592 O HIS A 207 -16.181 14.534 -12.425 1.00 11.85 O ATOM 1593 CB HIS A 207 -17.495 15.843 -9.548 1.00 12.61 C ATOM 1594 CG HIS A 207 -16.150 15.406 -9.068 1.00 10.63 C ATOM 1595 ND1 HIS A 207 -15.959 14.181 -8.461 1.00 10.78 N ATOM 1596 CD2 HIS A 207 -14.922 15.955 -9.200 1.00 10.40 C ATOM 1597 CE1 HIS A 207 -14.672 14.027 -8.187 1.00 12.93 C ATOM 1598 NE2 HIS A 207 -14.019 15.072 -8.665 1.00 10.97 N ATOM 1599 H HIS A 207 -17.260 13.037 -10.738 1.00 0.00 H ATOM 1600 N ALA A 208 -17.000 16.656 -12.482 1.00 13.72 N ATOM 1601 CA ALA A 208 -16.167 17.104 -13.589 1.00 11.67 C ATOM 1602 C ALA A 208 -15.821 18.560 -13.424 1.00 13.32 C ATOM 1603 O ALA A 208 -16.539 19.297 -12.753 1.00 13.58 O ATOM 1604 CB ALA A 208 -16.900 16.905 -14.895 1.00 15.38 C ATOM 1605 H ALA A 208 -17.657 17.335 -12.047 1.00 0.00 H ATOM 1606 N GLY A 209 -14.703 18.969 -13.998 1.00 11.33 N ATOM 1607 CA GLY A 209 -14.455 20.384 -14.188 1.00 12.49 C ATOM 1608 C GLY A 209 -14.811 20.703 -15.637 1.00 12.89 C ATOM 1609 O GLY A 209 -14.202 20.167 -16.549 1.00 15.85 O ATOM 1610 H GLY A 209 -13.998 18.273 -14.315 1.00 0.00 H ATOM 1611 N LEU A 210 -15.802 21.563 -15.848 1.00 11.78 N ATOM 1612 CA LEU A 210 -16.264 21.878 -17.192 1.00 14.75 C ATOM 1613 C LEU A 210 -15.292 22.783 -17.945 1.00 12.77 C ATOM 1614 O LEU A 210 -14.423 23.450 -17.371 1.00 13.12 O ATOM 1615 CB LEU A 210 -17.655 22.530 -17.112 1.00 17.61 C ATOM 1616 CG LEU A 210 -18.770 21.687 -16.479 1.00 19.17 C ATOM 1617 CD1 LEU A 210 -20.104 22.370 -16.639 1.00 19.44 C ATOM 1618 CD2 LEU A 210 -18.826 20.286 -17.083 1.00 18.04 C ATOM 1619 H LEU A 210 -16.258 22.022 -15.034 1.00 0.00 H ATOM 1620 N PRO A 211 -15.405 22.810 -19.273 1.00 13.24 N ATOM 1621 CA PRO A 211 -14.378 23.601 -19.964 1.00 18.50 C ATOM 1622 C PRO A 211 -14.352 25.079 -19.621 1.00 15.35 C ATOM 1623 O PRO A 211 -15.411 25.691 -19.413 1.00 19.38 O ATOM 1624 CB PRO A 211 -14.751 23.389 -21.431 1.00 18.81 C ATOM 1625 CG PRO A 211 -15.434 22.055 -21.445 1.00 22.83 C ATOM 1626 CD PRO A 211 -16.255 22.062 -20.216 1.00 20.02 C ATOM 1627 N VAL A 212 -13.142 25.622 -19.532 1.00 17.11 N ATOM 1628 CA VAL A 212 -12.959 27.055 -19.339 1.00 14.91 C ATOM 1629 C VAL A 212 -13.103 27.698 -20.707 1.00 15.76 C ATOM 1630 O VAL A 212 -12.446 27.283 -21.657 1.00 17.47 O ATOM 1631 CB VAL A 212 -11.622 27.374 -18.718 1.00 15.84 C ATOM 1632 CG1 VAL A 212 -11.336 28.901 -18.747 1.00 16.11 C ATOM 1633 CG2 VAL A 212 -11.601 26.836 -17.287 1.00 16.69 C ATOM 1634 H VAL A 212 -12.305 25.009 -19.602 1.00 0.00 H ATOM 1635 N LYS A 213 -13.935 28.730 -20.787 1.00 18.71 N ATOM 1636 CA LYS A 213 -14.140 29.436 -22.056 1.00 23.11 C ATOM 1637 C LYS A 213 -13.299 30.699 -22.133 1.00 24.41 C ATOM 1638 O LYS A 213 -12.817 31.084 -23.212 1.00 29.97 O ATOM 1639 CB LYS A 213 -15.599 29.805 -22.226 1.00 25.04 C ATOM 1640 CG LYS A 213 -16.517 28.636 -22.317 1.00 27.59 C ATOM 1641 CD LYS A 213 -17.930 29.168 -22.367 1.00 33.79 C ATOM 1642 CE LYS A 213 -18.953 28.167 -21.948 1.00 40.23 C ATOM 1643 NZ LYS A 213 -20.310 28.740 -22.189 1.00 43.40 N ATOM 1644 HZ1 LYS A 213 -20.420 29.612 -21.634 1.00 0.00 H ATOM 1645 HZ2 LYS A 213 -20.419 28.955 -23.201 1.00 0.00 H ATOM 1646 HZ3 LYS A 213 -21.033 28.050 -21.900 1.00 0.00 H ATOM 1647 H LYS A 213 -14.448 29.042 -19.938 1.00 0.00 H ATOM 1648 N SER A 214 -13.126 31.352 -20.996 1.00 18.04 N ATOM 1649 CA SER A 214 -12.337 32.562 -21.006 1.00 19.51 C ATOM 1650 C SER A 214 -11.680 32.811 -19.647 1.00 17.39 C ATOM 1651 O SER A 214 -12.202 32.462 -18.580 1.00 17.84 O ATOM 1652 CB SER A 214 -13.181 33.764 -21.424 1.00 26.21 C ATOM 1653 OG SER A 214 -14.037 34.161 -20.392 1.00 25.62 O ATOM 1654 HG SER A 214 -14.571 34.940 -20.689 1.00 0.00 H ATOM 1655 H SER A 214 -13.549 31.002 -20.113 1.00 0.00 H ATOM 1656 N GLY A 215 -10.481 33.349 -19.696 1.00 16.78 N ATOM 1657 CA GLY A 215 -9.740 33.584 -18.475 1.00 14.44 C ATOM 1658 C GLY A 215 -8.990 32.337 -18.095 1.00 14.76 C ATOM 1659 O GLY A 215 -8.518 31.616 -18.971 1.00 16.90 O ATOM 1660 H GLY A 215 -10.064 33.606 -20.614 1.00 0.00 H ATOM 1661 N GLU A 216 -8.878 32.104 -16.787 1.00 14.23 N ATOM 1662 CA GLU A 216 -8.234 30.917 -16.287 1.00 14.41 C ATOM 1663 C GLU A 216 -8.867 30.474 -14.987 1.00 13.67 C ATOM 1664 O GLU A 216 -9.622 31.219 -14.329 1.00 17.00 O ATOM 1665 CB GLU A 216 -6.734 31.178 -16.097 1.00 20.16 C ATOM 1666 CG GLU A 216 -6.461 32.142 -14.964 1.00 27.57 C ATOM 1667 CD GLU A 216 -5.068 32.732 -15.011 1.00 31.30 C ATOM 1668 OE1 GLU A 216 -4.081 31.971 -14.919 1.00 26.20 O ATOM 1669 OE2 GLU A 216 -4.968 33.971 -15.143 1.00 43.63 O ATOM 1670 H GLU A 216 -9.264 32.795 -16.113 1.00 0.00 H ATOM 1671 N LYS A 217 -8.618 29.210 -14.664 1.00 13.39 N ATOM 1672 CA LYS A 217 -9.158 28.612 -13.450 1.00 12.63 C ATOM 1673 C LYS A 217 -7.997 27.921 -12.718 1.00 10.25 C ATOM 1674 O LYS A 217 -7.280 27.121 -13.325 1.00 13.17 O ATOM 1675 CB LYS A 217 -10.276 27.610 -13.773 1.00 13.00 C ATOM 1676 CG LYS A 217 -10.774 26.740 -12.615 1.00 13.51 C ATOM 1677 CD LYS A 217 -11.890 25.838 -13.136 1.00 12.64 C ATOM 1678 CE LYS A 217 -12.362 24.852 -12.086 1.00 14.22 C ATOM 1679 NZ LYS A 217 -13.325 23.889 -12.662 1.00 11.77 N ATOM 1680 HZ1 LYS A 217 -14.149 24.404 -13.032 1.00 0.00 H ATOM 1681 HZ2 LYS A 217 -12.868 23.363 -13.434 1.00 0.00 H ATOM 1682 HZ3 LYS A 217 -13.633 23.225 -11.923 1.00 0.00 H ATOM 1683 H LYS A 217 -8.023 28.633 -15.293 1.00 0.00 H ATOM 1684 N ILE A 218 -7.831 28.236 -11.444 1.00 9.58 N ATOM 1685 CA ILE A 218 -6.804 27.605 -10.613 1.00 10.68 C ATOM 1686 C ILE A 218 -7.483 27.095 -9.329 1.00 8.39 C ATOM 1687 O ILE A 218 -8.208 27.864 -8.672 1.00 9.29 O ATOM 1688 CB ILE A 218 -5.636 28.564 -10.309 1.00 10.50 C ATOM 1689 CG1 ILE A 218 -5.135 29.212 -11.599 1.00 13.91 C ATOM 1690 CG2 ILE A 218 -4.552 27.803 -9.567 1.00 9.02 C ATOM 1691 CD1 ILE A 218 -3.983 30.156 -11.397 1.00 14.66 C ATOM 1692 H ILE A 218 -8.450 28.955 -11.019 1.00 0.00 H ATOM 1693 N ILE A 219 -7.236 25.816 -8.999 1.00 9.64 N ATOM 1694 CA ILE A 219 -7.732 25.186 -7.793 1.00 9.98 C ATOM 1695 C ILE A 219 -6.597 24.591 -6.941 1.00 8.77 C ATOM 1696 O ILE A 219 -5.487 24.283 -7.429 1.00 10.72 O ATOM 1697 CB ILE A 219 -8.748 24.094 -8.175 1.00 11.70 C ATOM 1698 CG1 ILE A 219 -8.076 23.008 -8.991 1.00 12.35 C ATOM 1699 CG2 ILE A 219 -9.925 24.746 -8.890 1.00 10.56 C ATOM 1700 CD1 ILE A 219 -8.988 21.837 -9.308 1.00 12.65 C ATOM 1701 H ILE A 219 -6.655 25.246 -9.647 1.00 0.00 H ATOM 1702 N ALA A 220 -6.891 24.416 -5.656 1.00 8.99 N ATOM 1703 CA ALA A 220 -6.109 23.615 -4.711 1.00 9.53 C ATOM 1704 C ALA A 220 -6.939 22.433 -4.192 1.00 9.76 C ATOM 1705 O ALA A 220 -8.074 22.600 -3.741 1.00 10.47 O ATOM 1706 CB ALA A 220 -5.618 24.471 -3.579 1.00 11.54 C ATOM 1707 H ALA A 220 -7.745 24.886 -5.293 1.00 0.00 H ATOM 1708 N ASN A 221 -6.407 21.225 -4.404 1.00 10.18 N ATOM 1709 CA ASN A 221 -7.056 19.978 -3.961 1.00 12.00 C ATOM 1710 C ASN A 221 -6.408 19.414 -2.745 1.00 11.74 C ATOM 1711 O ASN A 221 -5.218 19.062 -2.758 1.00 11.15 O ATOM 1712 CB ASN A 221 -7.002 18.900 -5.065 1.00 11.13 C ATOM 1713 CG ASN A 221 -7.965 19.151 -6.176 1.00 17.65 C ATOM 1714 OD1 ASN A 221 -9.145 19.314 -5.960 1.00 19.42 O ATOM 1715 ND2 ASN A 221 -7.460 19.113 -7.411 1.00 15.94 N ATOM 1716 HD22 ASN A 221 -6.439 18.971 -7.551 1.00 0.00 H ATOM 1717 HD21 ASN A 221 -8.087 19.226 -8.233 1.00 0.00 H ATOM 1718 H ASN A 221 -5.497 21.162 -4.903 1.00 0.00 H ATOM 1719 N GLN A 222 -7.190 19.324 -1.679 1.00 9.70 N ATOM 1720 CA GLN A 222 -6.778 18.611 -0.436 1.00 10.00 C ATOM 1721 C GLN A 222 -7.563 17.300 -0.339 1.00 10.15 C ATOM 1722 O GLN A 222 -8.732 17.308 -0.016 1.00 10.11 O ATOM 1723 CB GLN A 222 -7.007 19.465 0.800 1.00 10.96 C ATOM 1724 CG GLN A 222 -6.703 18.729 2.105 1.00 13.68 C ATOM 1725 CD GLN A 222 -5.236 18.323 2.243 1.00 10.87 C ATOM 1726 OE1 GLN A 222 -4.392 19.128 2.635 1.00 15.18 O ATOM 1727 NE2 GLN A 222 -4.918 17.102 1.849 1.00 11.31 N ATOM 1728 HE22 GLN A 222 -5.661 16.450 1.524 1.00 0.00 H ATOM 1729 HE21 GLN A 222 -3.925 16.793 1.864 1.00 0.00 H ATOM 1730 H GLN A 222 -8.130 19.769 -1.711 1.00 0.00 H ATOM 1731 N TRP A 223 -6.922 16.188 -0.646 1.00 10.45 N ATOM 1732 CA TRP A 223 -7.565 14.885 -0.529 1.00 10.66 C ATOM 1733 C TRP A 223 -7.307 14.313 0.878 1.00 10.97 C ATOM 1734 O TRP A 223 -6.276 14.528 1.485 1.00 11.53 O ATOM 1735 CB TRP A 223 -7.122 13.911 -1.680 1.00 10.84 C ATOM 1736 CG TRP A 223 -7.726 14.275 -3.023 1.00 12.28 C ATOM 1737 CD1 TRP A 223 -9.052 14.218 -3.344 1.00 11.75 C ATOM 1738 CD2 TRP A 223 -7.052 14.765 -4.199 1.00 10.80 C ATOM 1739 NE1 TRP A 223 -9.241 14.644 -4.631 1.00 11.20 N ATOM 1740 CE2 TRP A 223 -8.032 14.984 -5.180 1.00 10.40 C ATOM 1741 CE3 TRP A 223 -5.712 15.059 -4.513 1.00 11.58 C ATOM 1742 CZ2 TRP A 223 -7.731 15.493 -6.470 1.00 10.72 C ATOM 1743 CZ3 TRP A 223 -5.406 15.543 -5.798 1.00 12.68 C ATOM 1744 CH2 TRP A 223 -6.421 15.773 -6.762 1.00 10.44 C ATOM 1745 HE1 TRP A 223 -10.159 14.701 -5.117 1.00 0.00 H ATOM 1746 H TRP A 223 -5.938 16.242 -0.978 1.00 0.00 H ATOM 1747 N ILE A 224 -8.309 13.580 1.347 1.00 11.45 N ATOM 1748 CA ILE A 224 -8.412 12.949 2.659 1.00 13.13 C ATOM 1749 C ILE A 224 -8.458 11.431 2.425 1.00 12.76 C ATOM 1750 O ILE A 224 -9.348 10.926 1.722 1.00 16.50 O ATOM 1751 CB ILE A 224 -9.675 13.488 3.376 1.00 18.42 C ATOM 1752 CG1 ILE A 224 -9.566 15.025 3.464 1.00 17.98 C ATOM 1753 CG2 ILE A 224 -9.858 12.858 4.809 1.00 16.88 C ATOM 1754 CD1 ILE A 224 -10.865 15.760 3.433 1.00 19.96 C ATOM 1755 H ILE A 224 -9.115 13.439 0.705 1.00 0.00 H ATOM 1756 N ARG A 225 -7.475 10.744 2.969 1.00 13.63 N ATOM 1757 CA ARG A 225 -7.304 9.318 2.787 1.00 12.74 C ATOM 1758 C ARG A 225 -7.514 8.426 4.019 1.00 16.66 C ATOM 1759 O ARG A 225 -7.197 8.798 5.143 1.00 16.23 O ATOM 1760 CB ARG A 225 -5.889 9.027 2.292 1.00 17.71 C ATOM 1761 CG ARG A 225 -5.703 9.418 0.853 1.00 25.48 C ATOM 1762 CD ARG A 225 -4.502 8.754 0.321 1.00 30.34 C ATOM 1763 NE ARG A 225 -4.202 9.197 -1.016 1.00 27.90 N ATOM 1764 CZ ARG A 225 -4.276 8.451 -2.114 1.00 26.67 C ATOM 1765 NH1 ARG A 225 -4.691 7.191 -2.067 1.00 32.15 N ATOM 1766 NH2 ARG A 225 -3.942 8.993 -3.277 1.00 26.25 N ATOM 1767 HE ARG A 225 -3.902 10.186 -1.133 1.00 0.00 H ATOM 1768 HH12 ARG A 225 -4.741 6.627 -2.939 1.00 0.00 H ATOM 1769 HH11 ARG A 225 -4.967 6.768 -1.158 1.00 0.00 H ATOM 1770 HH22 ARG A 225 -3.993 8.427 -4.148 1.00 0.00 H ATOM 1771 HH21 ARG A 225 -3.629 9.984 -3.318 1.00 0.00 H ATOM 1772 H ARG A 225 -6.786 11.252 3.560 1.00 0.00 H ATOM 1773 N ALA A 226 -8.079 7.256 3.782 1.00 17.64 N ATOM 1774 CA ALA A 226 -8.134 6.208 4.798 1.00 18.87 C ATOM 1775 C ALA A 226 -6.713 5.801 5.243 1.00 18.35 C ATOM 1776 O ALA A 226 -5.742 5.955 4.489 1.00 17.06 O ATOM 1777 CB ALA A 226 -8.907 4.977 4.260 1.00 15.23 C ATOM 1778 H ALA A 226 -8.496 7.076 2.846 1.00 0.00 H ATOM 1779 N VAL A 227 -6.612 5.236 6.449 1.00 21.60 N ATOM 1780 CA VAL A 227 -5.325 4.873 7.084 1.00 23.75 C ATOM 1781 C VAL A 227 -5.134 3.365 7.071 1.00 26.01 C ATOM 1782 O VAL A 227 -6.054 2.656 7.452 1.00 27.31 O ATOM 1783 CB VAL A 227 -5.249 5.404 8.534 1.00 29.01 C ATOM 1784 CG1 VAL A 227 -4.056 4.812 9.284 1.00 29.14 C ATOM 1785 CG2 VAL A 227 -5.189 6.915 8.531 1.00 27.61 C ATOM 1786 H VAL A 227 -7.489 5.040 6.973 1.00 0.00 H TER 1787 VAL A 227 HETATM 1788 ZN ZN A 1 -11.980 14.990 -9.169 1.00 12.53 ZN HETATM 1789 MN MN A 2 -23.372 14.958 11.933 1.00 47.29 MN HETATM 1790 O HOH 3 -14.153 4.166 14.811 1.00 48.00 O HETATM 1791 O HOH 4 -3.970 39.850 -3.653 1.00 38.85 O HETATM 1792 O HOH 5 -8.347 36.659 -20.450 1.00 44.22 O HETATM 1793 O HOH 6 -1.169 26.106 -16.868 1.00 37.55 O HETATM 1794 O HOH 7 -19.170 -9.333 -3.501 1.00 46.29 O HETATM 1795 O HOH 8 -10.232 7.265 16.898 1.00 40.15 O HETATM 1796 O HOH 9 -6.240 39.627 -6.240 1.00 38.49 O HETATM 1797 O HOH 10 -25.909 8.293 0.994 1.00 34.38 O HETATM 1798 O HOH 11 -21.781 5.927 4.461 1.00 33.52 O HETATM 1799 O HOH 12 -11.817 26.728 10.793 1.00 28.11 O HETATM 1800 O HOH 13 -29.862 12.207 -10.316 1.00 40.79 O HETATM 1801 O HOH 14 -11.410 34.354 4.288 1.00 38.12 O HETATM 1802 O HOH 15 -18.969 40.786 -13.203 1.00 35.87 O HETATM 1803 O HOH 16 5.189 13.835 0.329 1.00 22.36 O HETATM 1804 O HOH 17 -11.346 12.060 -16.258 1.00 30.14 O HETATM 1805 O HOH 18 -9.048 -4.410 0.131 1.00 39.96 O HETATM 1806 O HOH 19 4.691 26.431 5.819 1.00 42.67 O HETATM 1807 O HOH 20 -9.694 9.844 -9.582 1.00 38.85 O HETATM 1808 O HOH 21 -14.188 -2.241 6.184 1.00 46.95 O HETATM 1809 O HOH 22 -20.563 16.970 4.212 1.00 20.32 O HETATM 1810 O HOH 23 -20.346 30.856 -3.810 1.00 30.11 O HETATM 1811 O HOH 24 -19.057 -0.189 -8.146 1.00 40.69 O HETATM 1812 O HOH 25 -23.324 8.676 -10.298 1.00 24.89 O HETATM 1813 O HOH 26 -14.873 -2.985 1.659 1.00 35.99 O HETATM 1814 O HOH 27 -10.629 15.601 12.224 1.00 36.70 O HETATM 1815 O HOH 28 -18.137 30.159 -14.091 1.00 27.31 O HETATM 1816 O HOH 29 -6.214 28.099 -24.516 1.00 31.48 O HETATM 1817 O HOH 30 -3.396 6.999 3.883 1.00 34.25 O HETATM 1818 O HOH 31 -16.682 3.025 -12.316 1.00 50.73 O HETATM 1819 O HOH 32 -8.093 14.067 -9.880 1.00 25.85 O HETATM 1820 O HOH 33 -27.261 21.278 8.909 1.00 38.18 O HETATM 1821 O HOH 34 -19.931 30.454 -6.437 1.00 31.76 O HETATM 1822 O HOH 35 -25.492 19.141 -13.124 1.00 27.47 O HETATM 1823 O HOH 36 5.893 33.074 -4.496 1.00 35.43 O HETATM 1824 O HOH 37 -11.664 21.901 -25.367 1.00 28.63 O HETATM 1825 O HOH 38 -15.796 31.345 5.701 1.00 36.98 O HETATM 1826 O HOH 39 5.183 28.429 -13.972 1.00 29.22 O HETATM 1827 O HOH 40 -13.478 36.390 -3.401 1.00 22.60 O HETATM 1828 O HOH 41 -5.397 37.295 4.457 1.00 25.60 O HETATM 1829 O HOH 42 -18.020 25.191 -19.928 1.00 26.46 O HETATM 1830 O HOH 43 -17.057 1.497 -5.346 1.00 20.25 O HETATM 1831 O HOH 44 -27.291 9.953 4.617 1.00 35.36 O HETATM 1832 O HOH 45 2.684 22.951 2.341 1.00 25.55 O HETATM 1833 O HOH 46 -8.206 6.379 -3.779 1.00 26.41 O HETATM 1834 O HOH 47 -6.478 17.695 -10.745 1.00 21.56 O HETATM 1835 O HOH 48 -21.654 16.071 11.760 1.00 37.65 O HETATM 1836 O HOH 49 8.406 21.367 3.626 1.00 18.75 O HETATM 1837 O HOH 50 1.382 21.350 5.697 1.00 33.05 O HETATM 1838 O HOH 51 -25.092 11.262 -13.660 1.00 35.95 O HETATM 1839 O HOH 52 9.865 27.465 -12.040 1.00 31.88 O HETATM 1840 O HOH 53 -7.071 19.300 -12.874 1.00 18.37 O HETATM 1841 O HOH 54 -22.836 13.859 -9.322 1.00 12.34 O HETATM 1842 O HOH 55 -1.588 22.963 9.388 1.00 29.68 O HETATM 1843 O HOH 56 -2.056 4.455 -3.331 1.00 44.58 O HETATM 1844 O HOH 57 3.795 33.654 -3.121 1.00 22.39 O HETATM 1845 O HOH 58 -19.685 23.581 5.667 1.00 27.22 O HETATM 1846 O HOH 59 -2.615 2.078 -2.385 1.00 46.52 O HETATM 1847 O HOH 60 -13.221 36.346 -12.663 1.00 41.26 O HETATM 1848 O HOH 61 -8.881 12.372 -8.258 1.00 36.43 O HETATM 1849 O HOH 62 -1.416 38.259 -1.872 1.00 30.93 O HETATM 1850 O HOH 63 -21.699 21.016 8.422 1.00 37.24 O HETATM 1851 O HOH 64 -20.384 4.832 6.923 1.00 44.65 O HETATM 1852 O HOH 65 -15.048 33.125 -1.504 1.00 12.73 O HETATM 1853 O HOH 66 -0.405 29.077 8.165 1.00 29.92 O HETATM 1854 O HOH 67 -12.038 35.102 -0.285 1.00 18.67 O HETATM 1855 O HOH 68 3.147 33.681 3.002 1.00 39.98 O HETATM 1856 O HOH 69 0.811 15.140 3.439 1.00 27.96 O HETATM 1857 O HOH 70 -4.380 16.493 -1.801 1.00 12.32 O HETATM 1858 O HOH 71 -12.604 22.916 -15.307 1.00 13.49 O HETATM 1859 O HOH 72 7.212 28.315 -4.704 1.00 14.61 O HETATM 1860 O HOH 73 -12.821 5.639 -10.231 1.00 36.91 O HETATM 1861 O HOH 74 -20.956 25.431 4.475 1.00 31.23 O HETATM 1862 O HOH 75 -22.436 28.173 1.777 1.00 30.25 O HETATM 1863 O HOH 76 -12.909 -3.991 0.220 1.00 31.62 O HETATM 1864 O HOH 77 0.835 19.551 1.066 1.00 15.03 O HETATM 1865 O HOH 78 -16.963 9.020 -5.318 1.00 12.85 O HETATM 1866 O HOH 79 -19.786 2.055 -4.781 1.00 23.52 O HETATM 1867 O HOH 80 -20.134 30.493 -17.851 1.00 34.12 O HETATM 1868 O HOH 81 -9.817 34.342 -15.154 1.00 16.11 O HETATM 1869 O HOH 82 -12.981 25.142 8.973 1.00 22.64 O HETATM 1870 O HOH 83 -0.672 20.127 8.569 1.00 42.08 O HETATM 1871 O HOH 84 -6.058 32.714 -19.895 1.00 34.67 O HETATM 1872 O HOH 85 -19.878 9.885 4.931 1.00 17.62 O HETATM 1873 O HOH 86 5.011 32.850 -0.972 1.00 28.73 O HETATM 1874 O HOH 87 -12.025 6.978 9.198 1.00 26.63 O HETATM 1875 O HOH 88 2.210 27.981 9.071 1.00 31.72 O HETATM 1876 O HOH 89 -9.205 5.306 8.039 1.00 30.54 O HETATM 1877 O HOH 90 4.259 20.945 -13.358 1.00 28.37 O HETATM 1878 O HOH 91 6.391 26.826 -2.281 1.00 18.25 O HETATM 1879 O HOH 92 0.745 12.770 -0.628 1.00 21.15 O HETATM 1880 O HOH 93 -23.920 22.517 5.587 1.00 25.37 O HETATM 1881 O HOH 94 -16.532 31.467 -12.257 1.00 24.34 O HETATM 1882 O HOH 95 1.198 19.065 -15.097 1.00 28.24 O HETATM 1883 O HOH 96 -9.431 10.494 -12.337 1.00 37.92 O HETATM 1884 O HOH 97 -23.299 24.101 1.018 1.00 17.48 O HETATM 1885 O HOH 98 -28.637 16.345 8.284 1.00 34.32 O HETATM 1886 O HOH 99 10.976 27.721 -7.400 1.00 31.26 O HETATM 1887 O HOH 100 -24.524 21.734 1.055 1.00 14.40 O HETATM 1888 O HOH 101 0.701 17.827 3.256 1.00 32.37 O HETATM 1889 O HOH 102 -21.212 15.638 5.798 1.00 23.22 O HETATM 1890 O HOH 103 -10.932 34.936 -9.381 1.00 17.15 O HETATM 1891 O HOH 104 6.823 21.829 -12.618 1.00 23.32 O HETATM 1892 O HOH 105 -22.869 4.734 -4.663 1.00 29.65 O HETATM 1893 O HOH 106 -14.035 29.335 6.832 1.00 24.56 O HETATM 1894 O HOH 107 -23.624 31.573 -4.537 1.00 35.59 O HETATM 1895 O HOH 108 5.036 30.299 3.498 1.00 34.45 O HETATM 1896 O HOH 109 -20.103 34.069 -15.248 1.00 39.09 O HETATM 1897 O HOH 110 -4.514 -1.717 0.055 1.00 35.09 O HETATM 1898 O HOH 111 -18.661 33.032 -8.473 1.00 46.12 O HETATM 1899 O HOH 112 -10.417 27.573 15.165 1.00 42.99 O HETATM 1900 O HOH 113 7.371 27.980 -0.189 1.00 29.64 O HETATM 1901 O HOH 114 -16.636 34.989 -21.754 1.00 35.60 O HETATM 1902 O HOH 115 -24.012 27.308 -4.897 1.00 18.33 O HETATM 1903 O HOH 116 -20.649 12.708 -20.371 1.00 41.73 O HETATM 1904 O HOH 117 9.671 25.211 -3.052 1.00 23.13 O HETATM 1905 O HOH 118 -20.631 1.557 1.344 1.00 37.67 O HETATM 1906 O HOH 119 -22.884 8.195 8.068 1.00 45.95 O HETATM 1907 O HOH 120 -10.517 38.424 0.968 1.00 21.83 O HETATM 1908 O HOH 121 -11.564 18.114 -7.138 1.00 29.69 O HETATM 1909 O HOH 122 -9.264 34.173 -22.265 1.00 31.59 O HETATM 1910 O HOH 123 -24.766 10.411 9.354 1.00 29.09 O HETATM 1911 O HOH 124 -1.780 13.479 7.623 1.00 35.15 O HETATM 1912 O HOH 125 -4.846 9.219 11.670 1.00 39.11 O HETATM 1913 O HOH 126 -13.694 35.358 -7.961 1.00 20.17 O HETATM 1914 O HOH 127 -20.343 30.166 3.259 1.00 28.16 O HETATM 1915 O HOH 128 -13.220 7.625 -12.189 1.00 18.25 O HETATM 1916 O HOH 129 -10.479 36.162 -11.773 1.00 38.68 O HETATM 1917 O HOH 130 -11.505 1.403 6.360 1.00 33.96 O HETATM 1918 O HOH 131 -9.930 9.627 16.153 1.00 41.80 O HETATM 1919 O HOH 132 5.092 33.849 -9.216 1.00 30.78 O HETATM 1920 O HOH 133 -13.273 13.630 12.868 1.00 33.58 O HETATM 1921 O HOH 134 -7.859 39.363 0.879 1.00 23.95 O HETATM 1922 O HOH 135 -3.753 1.123 8.746 1.00 36.48 O HETATM 1923 O HOH 136 3.661 34.945 -10.630 1.00 30.22 O HETATM 1924 O HOH 137 -15.802 11.291 -6.305 1.00 11.18 O HETATM 1925 O HOH 138 -22.761 32.899 -2.267 1.00 44.75 O HETATM 1926 O HOH 139 -5.869 4.598 -3.232 1.00 37.08 O HETATM 1927 O HOH 140 -15.677 18.282 -18.499 1.00 27.09 O HETATM 1928 O HOH 141 -17.578 15.679 -18.214 1.00 27.42 O HETATM 1929 O HOH 142 3.262 22.244 -15.199 1.00 35.30 O HETATM 1930 O HOH 143 -0.296 29.730 -19.959 1.00 44.02 O HETATM 1931 O HOH 144 -9.455 32.335 8.468 1.00 42.22 O HETATM 1932 O HOH 145 -16.526 35.304 -0.619 1.00 24.75 O HETATM 1933 O HOH 146 -19.282 3.912 -12.767 1.00 38.14 O HETATM 1934 O HOH 147 -15.867 -8.200 -6.675 1.00 34.69 O HETATM 1935 O HOH 148 -16.857 39.692 -11.939 1.00 37.05 O HETATM 1936 O HOH 149 -9.178 36.974 -15.524 1.00 33.16 O HETATM 1937 O HOH 150 -23.065 16.014 13.991 1.00 40.25 O HETATM 1938 O HOH 151 -11.058 -4.749 4.306 1.00 38.34 O HETATM 1939 O HOH 152 -15.938 37.287 -2.146 1.00 41.32 O HETATM 1940 O HOH 153 -21.663 33.628 -3.787 1.00 41.98 O HETATM 1941 O HOH 154 -20.041 8.692 7.104 1.00 37.80 O HETATM 1942 O HOH 155 -16.046 -11.046 -6.186 1.00 45.88 O HETATM 1943 O HOH 156 -13.110 -3.760 4.541 1.00 45.87 O HETATM 1944 O HOH 157 -22.970 22.563 9.441 1.00 44.46 O HETATM 1945 O HOH 158 -9.300 -3.577 6.027 1.00 45.78 O HETATM 1946 O HOH 159 -1.202 10.038 0.768 1.00 35.14 O HETATM 1947 O HOH 160 -2.279 27.613 9.781 1.00 28.45 O HETATM 1948 O HOH 161 -6.896 39.697 3.800 1.00 29.51 O HETATM 1949 O HOH 162 -6.369 40.887 -2.966 1.00 43.06 O HETATM 1950 O HOH 163 -2.384 1.829 3.309 1.00 46.67 O HETATM 1951 O HOH 164 -2.599 1.127 5.982 1.00 39.04 O HETATM 1952 O HOH 165 -13.785 37.395 -5.721 1.00 32.17 O HETATM 1953 O HOH 166 -25.395 7.108 -8.944 1.00 39.71 O HETATM 1954 O HOH 167 0.946 28.297 -20.795 1.00 43.73 O HETATM 1955 O HOH 168 -0.484 34.058 -14.874 1.00 40.31 O HETATM 1956 O HOH 169 -24.503 37.513 -16.716 1.00 43.07 O HETATM 1957 O HOH 170 -13.330 38.989 0.307 1.00 43.13 O HETATM 1958 O HOH 171 4.403 18.854 -15.065 1.00 46.04 O HETATM 1959 O HOH 172 -14.371 29.839 9.790 1.00 32.88 O HETATM 1960 O HOH 173 7.512 30.865 -3.733 1.00 28.39 O HETATM 1961 O HOH 174 -16.262 18.908 -20.966 1.00 33.62 O HETATM 1962 O HOH 175 5.475 30.904 -15.276 1.00 43.91 O HETATM 1963 O HOH 176 -7.756 41.550 -0.441 1.00 34.57 O HETATM 1964 O HOH 177 -14.555 19.509 -23.720 1.00 37.79 O HETATM 1965 O HOH 178 -24.002 26.192 -0.619 1.00 27.08 O HETATM 1966 O HOH 179 -24.601 26.760 2.895 1.00 48.25 O HETATM 1967 O HOH 180 -17.519 30.643 7.389 1.00 43.03 O HETATM 1968 O HOH 181 -13.861 36.490 1.033 1.00 28.81 O HETATM 1969 O HOH 182 -14.348 26.513 7.370 1.00 28.09 O HETATM 1970 O HOH 183 -13.647 38.611 -13.217 1.00 38.06 O HETATM 1971 O HOH 184 1.549 10.936 1.178 1.00 53.88 O HETATM 1972 O HOH 185 -18.725 24.418 8.071 1.00 37.11 O HETATM 1973 O HOH 186 -20.829 17.769 -19.694 1.00 38.85 O HETATM 1974 O HOH 187 4.737 11.151 1.295 1.00 35.11 O HETATM 1975 O HOH 188 -11.545 8.079 -13.886 1.00 41.65 O HETATM 1976 O HOH 189 -16.528 37.499 -6.472 1.00 46.12 O HETATM 1977 O HOH 190 -24.491 34.961 -0.879 1.00 54.44 O HETATM 1978 O HOH 191 -18.298 35.805 -24.118 1.00 33.96 O HETATM 1979 O HOH 192 -18.271 15.875 -20.539 1.00 37.00 O HETATM 1980 O HOH 193 7.692 31.536 -18.157 1.00 42.20 O HETATM 1981 O HOH 194 -17.036 25.854 8.089 1.00 40.29 O HETATM 1982 O HOH 195 -18.875 40.818 -7.759 1.00 51.94 O HETATM 1983 O HOH 196 -3.761 13.447 17.179 1.00 38.06 O HETATM 1984 C1 AKG A 197 -10.055 17.051 -9.489 1.00 0.12 C HETATM 1985 O1 AKG A 197 -8.949 17.663 -9.603 1.00 -0.55 O HETATM 1986 O2 AKG A 197 -10.044 15.851 -9.107 1.00 -0.55 O HETATM 1987 C2 AKG A 197 -11.331 17.718 -9.922 1.00 0.17 C HETATM 1988 O5 AKG A 197 -12.298 17.023 -10.077 1.00 -0.36 O HETATM 1989 C3 AKG A 197 -11.362 19.236 -10.165 1.00 0.04 C HETATM 1990 C4 AKG A 197 -12.748 19.734 -10.484 1.00 0.02 C HETATM 1991 C5 AKG A 197 -12.737 21.114 -11.089 1.00 0.04 C HETATM 1992 O3 AKG A 197 -11.716 21.530 -11.704 1.00 -0.57 O HETATM 1993 O4 AKG A 197 -13.759 21.853 -10.950 1.00 -0.57 O HETATM 1994 H3 AKG A 197 -13.337 19.760 -9.555 1.00 0.05 H HETATM 1995 H4 AKG A 197 -13.218 19.040 -11.196 1.00 0.05 H HETATM 1996 H1 AKG A 197 -10.698 19.473 -11.009 1.00 0.05 H HETATM 1997 H2 AKG A 197 -11.002 19.747 -9.260 1.00 0.05 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 21 20 686 CONECT 29 28 1789 CONECT 30 28 1789 CONECT 305 306 311 312 313 CONECT 312 305 CONECT 313 305 CONECT 679 677 678 1789 CONECT 686 21 685 CONECT 939 937 938 1788 CONECT 961 960 1788 CONECT 992 991 1023 CONECT 1023 992 1022 CONECT 1598 1596 1597 1788 CONECT 1788 939 961 1598 CONECT 1789 29 30 679 CONECT 1984 1985 1986 1987 CONECT 1985 1984 CONECT 1986 1984 CONECT 1987 1984 1988 1989 CONECT 1988 1987 CONECT 1989 1987 1990 1996 1997 CONECT 1990 1989 1991 1994 1995 CONECT 1991 1990 1992 1993 CONECT 1992 1991 CONECT 1993 1991 CONECT 1994 1990 CONECT 1995 1990 CONECT 1996 1989 CONECT 1997 1989 MASTER 0 0 0 0 0 0 0 0 1995 2 33 15 END
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Protein Sequence Similarity
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Complexes with the same small molecule ligand
PDB Code
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PDBbind
AKG
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PDBbind
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RCSB PDB
PDBbind
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RCSB PDB
PDBbind
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5hv0
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Entry Information
PDB ID
5c5t
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
viral collagen prolyl hydroxylase vCPH from Paramecium Bursaria Chlorella virus-1
Ligand Name
AKG
EC.Number
E.C.-.-.-.-
Resolution
1.6(Å)
Affinity (Kd/Ki/IC50)
Kd=746uM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) Biochemistry Vol. 54: pp. 6093-6105
Ligand Properties
Formula
C
5
H
6
O
5
Molecular Weight
146.098
Exact Mass
146.022
No. of atoms
16
No. of bonds
15
Polar Surface Area
91.67
LOGP Value
1.43 (
Computed with XLOGP3
)
-0.50 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 0
Canonical SMILES
OC(=O)CCC(=O)C(=O)O
InChI String
InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)
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):
Q84406
Entrez Gene ID
NCBI Entrez Gene ID:
917814
ASD
Information of known allosteric effects of PDB entries
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