Browse entries in the PDBbind-CN Database
HEADER 4MZJ_COMPLEX COMPND 4MZJ_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 142 ALA ASP ILE GLN GLN LEU GLU GLU LYS VAL ASP GLU SER SEQRES 2 A 142 ASP VAL ARG ILE TYR PHE ASN GLU LYS SER SER GLY GLY SEQRES 3 A 142 LYS ILE SER ILE ASP ASN ALA SER TYR ASN ALA ARG LYS SEQRES 4 A 142 LEU GLY LEU ALA PRO SER SER ILE ASP GLU LYS LYS ILE SEQRES 5 A 142 LYS GLU LEU TYR GLY ASP ASN LEU THR TYR GLU GLN TYR SEQRES 6 A 142 LEU GLU TYR LEU SER ILE CYS VAL HIS ASP LYS ASP ASN SEQRES 7 A 142 VAL GLU GLU LEU ILE LYS MET PHE ALA HIS PHE ASP ASN SEQRES 8 A 142 ASN CYS THR GLY TYR LEU THR LYS SER GLN MET LYS ASN SEQRES 9 A 142 ILE LEU THR THR TRP GLY ASP ALA LEU THR ASP GLN GLU SEQRES 10 A 142 ALA ILE ASP ALA LEU ASN ALA PHE SER SER GLU ASP ASN SEQRES 11 A 142 ILE ASP TYR LYS LEU PHE CYS GLU ASP ILE LEU GLN HET ACE A 297 325 ATOM 1 N ALA A 63 16.813 -10.938 15.801 1.00 38.11 N ATOM 2 CA ALA A 63 17.272 -10.926 14.413 1.00 36.28 C ATOM 3 C ALA A 63 17.692 -12.323 13.954 1.00 37.39 C ATOM 4 O ALA A 63 18.322 -13.073 14.708 1.00 42.98 O ATOM 5 CB ALA A 63 18.420 -9.935 14.241 1.00 34.61 C ATOM 6 HN3 ALA A 63 17.582 -11.272 16.416 1.00 0.00 H ATOM 7 HN2 ALA A 63 15.996 -11.575 15.889 1.00 0.00 H ATOM 8 HN1 ALA A 63 16.536 -9.976 16.081 1.00 0.00 H ATOM 9 N ASP A 64 17.334 -12.670 12.720 1.00 34.65 N ATOM 10 CA ASP A 64 17.653 -13.980 12.154 1.00 35.61 C ATOM 11 C ASP A 64 17.571 -13.929 10.633 1.00 37.15 C ATOM 12 O ASP A 64 16.591 -13.433 10.086 1.00 32.26 O ATOM 13 CB ASP A 64 16.688 -15.040 12.688 1.00 48.22 C ATOM 14 H ASP A 64 16.809 -11.986 12.138 1.00 0.00 H ATOM 15 N ILE A 65 18.598 -14.439 9.954 1.00 33.98 N ATOM 16 CA ILE A 65 18.653 -14.396 8.490 1.00 32.68 C ATOM 17 C ILE A 65 17.550 -15.238 7.836 1.00 33.20 C ATOM 18 O ILE A 65 16.942 -14.818 6.849 1.00 32.36 O ATOM 19 CB ILE A 65 20.045 -14.817 7.949 1.00 34.92 C ATOM 20 CG1 ILE A 65 21.099 -13.766 8.304 1.00 38.93 C ATOM 21 CG2 ILE A 65 20.013 -15.006 6.435 1.00 36.66 C ATOM 22 CD1 ILE A 65 22.471 -14.053 7.718 1.00 45.89 C ATOM 23 H ILE A 65 19.382 -14.879 10.477 1.00 0.00 H ATOM 24 N GLN A 66 17.278 -16.417 8.387 1.00 36.19 N ATOM 25 CA GLN A 66 16.213 -17.249 7.838 1.00 41.48 C ATOM 26 C GLN A 66 14.867 -16.532 7.931 1.00 37.70 C ATOM 27 O GLN A 66 14.083 -16.552 6.982 1.00 37.32 O ATOM 28 CB GLN A 66 16.149 -18.608 8.535 1.00 40.29 C ATOM 29 H GLN A 66 17.824 -16.746 9.209 1.00 0.00 H ATOM 30 N GLN A 67 14.615 -15.891 9.069 1.00 35.46 N ATOM 31 CA GLN A 67 13.379 -15.137 9.279 1.00 42.43 C ATOM 32 C GLN A 67 13.278 -13.964 8.312 1.00 35.58 C ATOM 33 O GLN A 67 12.214 -13.699 7.749 1.00 33.00 O ATOM 34 CB GLN A 67 13.307 -14.621 10.717 1.00 39.47 C ATOM 35 H GLN A 67 15.319 -15.927 9.834 1.00 0.00 H ATOM 36 N LEU A 68 14.389 -13.257 8.135 1.00 30.93 N ATOM 37 CA LEU A 68 14.463 -12.185 7.149 1.00 28.19 C ATOM 38 C LEU A 68 14.012 -12.662 5.768 1.00 28.07 C ATOM 39 O LEU A 68 13.200 -12.014 5.107 1.00 27.15 O ATOM 40 CB LEU A 68 15.894 -11.652 7.060 1.00 27.37 C ATOM 41 CG LEU A 68 16.169 -10.729 5.869 1.00 25.72 C ATOM 42 CD1 LEU A 68 15.489 -9.381 6.074 1.00 24.56 C ATOM 43 CD2 LEU A 68 17.665 -10.559 5.631 1.00 25.86 C ATOM 44 H LEU A 68 15.226 -13.473 8.713 1.00 0.00 H ATOM 45 N GLU A 69 14.538 -13.807 5.344 1.00 29.42 N ATOM 46 CA GLU A 69 14.322 -14.299 3.986 1.00 29.81 C ATOM 47 C GLU A 69 12.926 -14.887 3.744 1.00 32.35 C ATOM 48 O GLU A 69 12.575 -15.225 2.610 1.00 31.78 O ATOM 49 CB GLU A 69 15.403 -15.316 3.616 1.00 32.15 C ATOM 50 CG GLU A 69 16.801 -14.719 3.528 1.00 33.76 C ATOM 51 CD GLU A 69 17.839 -15.736 3.110 1.00 45.63 C ATOM 52 OE1 GLU A 69 17.449 -16.859 2.724 1.00 50.30 O ATOM 53 OE2 GLU A 69 19.044 -15.412 3.169 1.00 47.27 O ATOM 54 H GLU A 69 15.120 -14.368 5.998 1.00 0.00 H ATOM 55 N GLU A 70 12.136 -15.019 4.805 1.00 32.13 N ATOM 56 CA GLU A 70 10.739 -15.403 4.647 1.00 37.06 C ATOM 57 C GLU A 70 9.871 -14.153 4.621 1.00 33.00 C ATOM 58 O GLU A 70 8.784 -14.146 4.035 1.00 34.49 O ATOM 59 CB GLU A 70 10.290 -16.339 5.770 1.00 38.36 C ATOM 60 CG GLU A 70 10.955 -17.710 5.750 1.00 38.85 C ATOM 61 CD GLU A 70 10.290 -18.687 6.694 1.00 51.41 C ATOM 62 OE1 GLU A 70 9.045 -18.676 6.768 1.00 58.62 O ATOM 63 OE2 GLU A 70 11.007 -19.462 7.360 1.00 51.25 O ATOM 64 H GLU A 70 12.518 -14.847 5.757 1.00 0.00 H ATOM 65 N LYS A 71 10.366 -13.097 5.259 1.00 30.50 N ATOM 66 CA LYS A 71 9.640 -11.833 5.350 1.00 30.21 C ATOM 67 C LYS A 71 9.783 -11.001 4.084 1.00 31.06 C ATOM 68 O LYS A 71 8.806 -10.437 3.593 1.00 36.58 O ATOM 69 CB LYS A 71 10.114 -11.024 6.559 1.00 28.88 C ATOM 70 CG LYS A 71 9.375 -9.700 6.742 1.00 32.54 C ATOM 71 CD LYS A 71 9.862 -8.952 7.972 1.00 39.38 C ATOM 72 H LYS A 71 11.301 -13.173 5.708 1.00 0.00 H ATOM 73 N VAL A 72 11.002 -10.922 3.561 1.00 26.39 N ATOM 74 CA VAL A 72 11.254 -10.162 2.340 1.00 25.14 C ATOM 75 C VAL A 72 11.704 -11.104 1.226 1.00 28.13 C ATOM 76 O VAL A 72 12.091 -12.245 1.492 1.00 27.35 O ATOM 77 CB VAL A 72 12.306 -9.044 2.548 1.00 23.61 C ATOM 78 CG1 VAL A 72 11.889 -8.113 3.672 1.00 24.62 C ATOM 79 CG2 VAL A 72 13.675 -9.628 2.841 1.00 23.77 C ATOM 80 H VAL A 72 11.791 -11.411 4.030 1.00 0.00 H ATOM 81 N ASP A 73 11.638 -10.625 -0.015 1.00 25.59 N ATOM 82 CA ASP A 73 12.044 -11.400 -1.186 1.00 26.78 C ATOM 83 C ASP A 73 13.543 -11.251 -1.399 1.00 26.38 C ATOM 84 O ASP A 73 14.023 -10.156 -1.689 1.00 25.28 O ATOM 85 CB ASP A 73 11.303 -10.880 -2.418 1.00 27.06 C ATOM 86 CG ASP A 73 11.548 -11.718 -3.660 1.00 28.99 C ATOM 87 OD1 ASP A 73 12.405 -12.628 -3.634 1.00 31.27 O ATOM 88 OD2 ASP A 73 10.872 -11.449 -4.676 1.00 31.77 O ATOM 89 H ASP A 73 11.282 -9.658 -0.157 1.00 0.00 H ATOM 90 N GLU A 74 14.275 -12.355 -1.279 1.00 21.35 N ATOM 91 CA GLU A 74 15.722 -12.330 -1.466 1.00 24.52 C ATOM 92 C GLU A 74 16.109 -11.829 -2.856 1.00 22.85 C ATOM 93 O GLU A 74 17.168 -11.225 -3.021 1.00 21.92 O ATOM 94 CB GLU A 74 16.329 -13.710 -1.204 1.00 29.45 C ATOM 95 H GLU A 74 13.807 -13.254 -1.047 1.00 0.00 H ATOM 96 N SER A 75 15.260 -12.065 -3.853 1.00 22.60 N ATOM 97 CA SER A 75 15.522 -11.499 -5.176 1.00 21.27 C ATOM 98 C SER A 75 15.562 -9.966 -5.139 1.00 23.27 C ATOM 99 O SER A 75 16.424 -9.358 -5.776 1.00 23.18 O ATOM 100 CB SER A 75 14.505 -11.990 -6.200 1.00 24.35 C ATOM 101 OG SER A 75 14.759 -13.341 -6.542 1.00 34.42 O ATOM 102 HG SER A 75 14.091 -13.643 -7.207 1.00 0.00 H ATOM 103 H SER A 75 14.414 -12.649 -3.692 1.00 0.00 H ATOM 104 N ASP A 76 14.643 -9.342 -4.403 1.00 18.38 N ATOM 105 CA ASP A 76 14.685 -7.889 -4.231 1.00 18.06 C ATOM 106 C ASP A 76 15.923 -7.474 -3.457 1.00 16.88 C ATOM 107 O ASP A 76 16.562 -6.465 -3.768 1.00 16.96 O ATOM 108 CB ASP A 76 13.470 -7.378 -3.451 1.00 19.22 C ATOM 109 CG ASP A 76 12.184 -7.438 -4.245 1.00 25.55 C ATOM 110 OD1 ASP A 76 12.228 -7.520 -5.491 1.00 24.55 O ATOM 111 OD2 ASP A 76 11.115 -7.390 -3.603 1.00 28.79 O ATOM 112 H ASP A 76 13.888 -9.893 -3.946 1.00 0.00 H ATOM 113 N VAL A 77 16.236 -8.234 -2.413 1.00 16.46 N ATOM 114 CA VAL A 77 17.422 -7.964 -1.608 1.00 16.40 C ATOM 115 C VAL A 77 18.674 -7.906 -2.492 1.00 17.78 C ATOM 116 O VAL A 77 19.507 -7.002 -2.362 1.00 15.33 O ATOM 117 CB VAL A 77 17.579 -9.026 -0.517 1.00 15.91 C ATOM 118 CG1 VAL A 77 18.934 -8.900 0.160 1.00 17.32 C ATOM 119 CG2 VAL A 77 16.446 -8.902 0.501 1.00 17.35 C ATOM 120 H VAL A 77 15.623 -9.037 -2.165 1.00 0.00 H ATOM 121 N ARG A 78 18.761 -8.847 -3.426 1.00 16.98 N ATOM 122 CA ARG A 78 19.904 -8.953 -4.327 1.00 18.64 C ATOM 123 C ARG A 78 19.893 -7.847 -5.379 1.00 16.19 C ATOM 124 O ARG A 78 20.919 -7.217 -5.638 1.00 16.57 O ATOM 125 CB ARG A 78 19.904 -10.329 -4.999 1.00 18.39 C ATOM 126 CG ARG A 78 20.949 -10.514 -6.095 1.00 22.17 C ATOM 127 CD ARG A 78 22.359 -10.661 -5.529 1.00 34.00 C ATOM 128 NE ARG A 78 22.558 -11.942 -4.851 1.00 32.75 N ATOM 129 CZ ARG A 78 23.727 -12.364 -4.375 1.00 35.60 C ATOM 130 NH1 ARG A 78 24.808 -11.607 -4.507 1.00 29.75 N ATOM 131 NH2 ARG A 78 23.816 -13.546 -3.774 1.00 40.88 N ATOM 132 HE ARG A 78 21.732 -12.563 -4.733 1.00 0.00 H ATOM 133 HH12 ARG A 78 25.722 -11.936 -4.135 1.00 0.00 H ATOM 134 HH11 ARG A 78 24.742 -10.684 -4.982 1.00 0.00 H ATOM 135 HH22 ARG A 78 24.731 -13.873 -3.403 1.00 0.00 H ATOM 136 HH21 ARG A 78 22.971 -14.144 -3.675 1.00 0.00 H ATOM 137 H ARG A 78 17.985 -9.534 -3.518 1.00 0.00 H ATOM 138 N ILE A 79 18.737 -7.608 -5.986 1.00 16.74 N ATOM 139 CA ILE A 79 18.639 -6.576 -7.010 1.00 17.85 C ATOM 140 C ILE A 79 18.969 -5.204 -6.420 1.00 16.37 C ATOM 141 O ILE A 79 19.708 -4.423 -7.024 1.00 16.70 O ATOM 142 CB ILE A 79 17.254 -6.595 -7.677 1.00 20.81 C ATOM 143 CG1 ILE A 79 17.157 -7.818 -8.590 1.00 28.03 C ATOM 144 CG2 ILE A 79 17.001 -5.318 -8.464 1.00 23.61 C ATOM 145 CD1 ILE A 79 15.762 -8.117 -9.075 1.00 34.19 C ATOM 146 H ILE A 79 17.895 -8.161 -5.729 1.00 0.00 H ATOM 147 N TYR A 80 18.460 -4.922 -5.227 1.00 14.71 N ATOM 148 CA TYR A 80 18.747 -3.632 -4.595 1.00 13.42 C ATOM 149 C TYR A 80 20.234 -3.498 -4.258 1.00 13.37 C ATOM 150 O TYR A 80 20.797 -2.404 -4.374 1.00 15.03 O ATOM 151 CB TYR A 80 17.896 -3.412 -3.335 1.00 13.91 C ATOM 152 CG TYR A 80 16.396 -3.369 -3.546 1.00 15.38 C ATOM 153 CD1 TYR A 80 15.836 -3.268 -4.814 1.00 17.63 C ATOM 154 CD2 TYR A 80 15.539 -3.427 -2.455 1.00 16.48 C ATOM 155 CE1 TYR A 80 14.449 -3.230 -4.987 1.00 20.33 C ATOM 156 CE2 TYR A 80 14.174 -3.390 -2.611 1.00 19.52 C ATOM 157 CZ TYR A 80 13.633 -3.290 -3.876 1.00 21.03 C ATOM 158 OH TYR A 80 12.262 -3.252 -4.019 1.00 24.22 O ATOM 159 HH TYR A 80 11.869 -4.081 -3.647 1.00 0.00 H ATOM 160 H TYR A 80 17.858 -5.617 -4.741 1.00 0.00 H ATOM 161 N PHE A 81 20.861 -4.592 -3.817 1.00 13.45 N ATOM 162 CA PHE A 81 22.302 -4.585 -3.566 1.00 13.13 C ATOM 163 C PHE A 81 23.042 -4.241 -4.855 1.00 17.25 C ATOM 164 O PHE A 81 23.929 -3.392 -4.860 1.00 16.97 O ATOM 165 CB PHE A 81 22.760 -5.948 -3.031 1.00 15.55 C ATOM 166 CG PHE A 81 24.246 -6.052 -2.792 1.00 14.26 C ATOM 167 CD1 PHE A 81 24.801 -5.665 -1.577 1.00 14.74 C ATOM 168 CD2 PHE A 81 25.079 -6.555 -3.773 1.00 15.51 C ATOM 169 CE1 PHE A 81 26.178 -5.793 -1.358 1.00 17.39 C ATOM 170 CE2 PHE A 81 26.443 -6.670 -3.565 1.00 20.04 C ATOM 171 CZ PHE A 81 26.993 -6.288 -2.360 1.00 18.84 C ATOM 172 H PHE A 81 20.316 -5.462 -3.650 1.00 0.00 H ATOM 173 N ASN A 82 22.679 -4.898 -5.951 1.00 16.41 N ATOM 174 CA ASN A 82 23.351 -4.664 -7.224 1.00 16.24 C ATOM 175 C ASN A 82 23.184 -3.234 -7.726 1.00 16.17 C ATOM 176 O ASN A 82 24.062 -2.703 -8.404 1.00 20.89 O ATOM 177 CB ASN A 82 22.878 -5.668 -8.276 1.00 19.12 C ATOM 178 CG ASN A 82 23.342 -7.076 -7.987 1.00 22.75 C ATOM 179 OD1 ASN A 82 24.274 -7.293 -7.211 1.00 23.14 O ATOM 180 ND2 ASN A 82 22.690 -8.046 -8.615 1.00 27.56 N ATOM 181 HD22 ASN A 82 21.909 -7.814 -9.261 1.00 0.00 H ATOM 182 HD21 ASN A 82 22.960 -9.038 -8.461 1.00 0.00 H ATOM 183 H ASN A 82 21.904 -5.590 -5.900 1.00 0.00 H ATOM 184 N GLU A 83 22.056 -2.614 -7.388 1.00 18.21 N ATOM 185 CA GLU A 83 21.803 -1.217 -7.740 1.00 19.37 C ATOM 186 C GLU A 83 22.806 -0.260 -7.111 1.00 16.93 C ATOM 187 O GLU A 83 23.120 0.781 -7.687 1.00 20.93 O ATOM 188 CB GLU A 83 20.397 -0.802 -7.292 1.00 21.65 C ATOM 189 CG GLU A 83 19.301 -1.352 -8.179 1.00 24.14 C ATOM 190 CD GLU A 83 17.912 -1.046 -7.667 1.00 19.40 C ATOM 191 OE1 GLU A 83 17.732 -0.858 -6.443 1.00 19.32 O ATOM 192 OE2 GLU A 83 16.989 -1.000 -8.502 1.00 26.69 O ATOM 193 H GLU A 83 21.332 -3.139 -6.857 1.00 0.00 H ATOM 194 N LYS A 84 23.292 -0.610 -5.926 1.00 16.72 N ATOM 195 CA LYS A 84 24.073 0.323 -5.117 1.00 14.49 C ATOM 196 C LYS A 84 25.512 -0.114 -4.853 1.00 17.75 C ATOM 197 O LYS A 84 26.305 0.666 -4.340 1.00 20.33 O ATOM 198 CB LYS A 84 23.366 0.565 -3.778 1.00 14.06 C ATOM 199 CG LYS A 84 22.025 1.278 -3.885 1.00 15.10 C ATOM 200 CD LYS A 84 22.222 2.710 -4.343 1.00 15.44 C ATOM 201 CE LYS A 84 20.913 3.490 -4.252 1.00 22.87 C ATOM 202 NZ LYS A 84 19.942 3.043 -5.288 1.00 23.35 N ATOM 203 HZ1 LYS A 84 20.351 3.192 -6.232 1.00 0.00 H ATOM 204 HZ2 LYS A 84 19.735 2.033 -5.154 1.00 0.00 H ATOM 205 HZ3 LYS A 84 19.064 3.593 -5.198 1.00 0.00 H ATOM 206 H LYS A 84 23.113 -1.569 -5.566 1.00 0.00 H ATOM 207 N SER A 85 25.853 -1.346 -5.210 1.00 16.84 N ATOM 208 CA SER A 85 27.169 -1.882 -4.876 1.00 19.17 C ATOM 209 C SER A 85 28.305 -1.283 -5.702 1.00 20.30 C ATOM 210 O SER A 85 28.121 -0.882 -6.856 1.00 21.05 O ATOM 211 CB SER A 85 27.190 -3.406 -5.013 1.00 20.18 C ATOM 212 OG SER A 85 27.121 -3.784 -6.374 1.00 21.71 O ATOM 213 HG SER A 85 27.136 -4.772 -6.442 1.00 0.00 H ATOM 214 H SER A 85 25.175 -1.936 -5.733 1.00 0.00 H ATOM 215 N SER A 86 29.480 -1.223 -5.085 1.00 20.50 N ATOM 216 CA SER A 86 30.706 -0.813 -5.761 1.00 24.43 C ATOM 217 C SER A 86 31.807 -1.754 -5.304 1.00 22.76 C ATOM 218 O SER A 86 31.983 -1.960 -4.104 1.00 24.11 O ATOM 219 CB SER A 86 31.066 0.629 -5.401 1.00 30.78 C ATOM 220 OG SER A 86 30.241 1.559 -6.081 1.00 41.08 O ATOM 221 HG SER A 86 29.295 1.402 -5.834 1.00 0.00 H ATOM 222 H SER A 86 29.528 -1.479 -4.078 1.00 0.00 H ATOM 223 N GLY A 87 32.529 -2.338 -6.254 1.00 26.61 N ATOM 224 CA GLY A 87 33.582 -3.284 -5.931 1.00 28.33 C ATOM 225 C GLY A 87 33.072 -4.468 -5.125 1.00 27.69 C ATOM 226 O GLY A 87 33.820 -5.053 -4.340 1.00 31.13 O ATOM 227 H GLY A 87 32.336 -2.113 -7.251 1.00 0.00 H ATOM 228 N GLY A 88 31.796 -4.810 -5.306 1.00 24.71 N ATOM 229 CA GLY A 88 31.210 -5.961 -4.639 1.00 27.31 C ATOM 230 C GLY A 88 30.802 -5.687 -3.203 1.00 25.40 C ATOM 231 O GLY A 88 30.512 -6.610 -2.434 1.00 25.72 O ATOM 232 H GLY A 88 31.204 -4.238 -5.941 1.00 0.00 H ATOM 233 N LYS A 89 30.786 -4.412 -2.829 1.00 20.38 N ATOM 234 CA LYS A 89 30.370 -4.025 -1.486 1.00 18.21 C ATOM 235 C LYS A 89 29.376 -2.875 -1.532 1.00 20.77 C ATOM 236 O LYS A 89 29.309 -2.142 -2.518 1.00 22.16 O ATOM 237 CB LYS A 89 31.579 -3.629 -0.634 1.00 21.03 C ATOM 238 CG LYS A 89 32.560 -4.754 -0.354 1.00 27.17 C ATOM 239 CD LYS A 89 33.708 -4.240 0.504 1.00 32.53 C ATOM 240 CE LYS A 89 34.552 -5.370 1.055 1.00 42.61 C ATOM 241 NZ LYS A 89 34.890 -5.111 2.483 1.00 50.47 N ATOM 242 HZ1 LYS A 89 35.423 -4.221 2.556 1.00 0.00 H ATOM 243 HZ2 LYS A 89 34.013 -5.038 3.038 1.00 0.00 H ATOM 244 HZ3 LYS A 89 35.469 -5.894 2.848 1.00 0.00 H ATOM 245 H LYS A 89 31.075 -3.677 -3.506 1.00 0.00 H ATOM 246 N ILE A 90 28.621 -2.705 -0.455 1.00 17.54 N ATOM 247 CA ILE A 90 27.649 -1.628 -0.374 1.00 17.36 C ATOM 248 C ILE A 90 27.916 -0.762 0.861 1.00 17.53 C ATOM 249 O ILE A 90 28.272 -1.276 1.920 1.00 18.98 O ATOM 250 CB ILE A 90 26.204 -2.196 -0.356 1.00 14.60 C ATOM 251 CG1 ILE A 90 25.166 -1.091 -0.506 1.00 14.43 C ATOM 252 CG2 ILE A 90 25.940 -3.028 0.916 1.00 17.93 C ATOM 253 CD1 ILE A 90 23.771 -1.636 -0.661 1.00 15.08 C ATOM 254 H ILE A 90 28.727 -3.356 0.349 1.00 0.00 H ATOM 255 N SER A 91 27.749 0.549 0.725 1.00 16.49 N ATOM 256 CA SER A 91 27.902 1.451 1.870 1.00 17.16 C ATOM 257 C SER A 91 26.774 1.250 2.887 1.00 14.78 C ATOM 258 O SER A 91 25.677 0.812 2.539 1.00 13.71 O ATOM 259 CB SER A 91 27.922 2.909 1.409 1.00 16.27 C ATOM 260 OG SER A 91 26.623 3.298 1.000 1.00 17.49 O ATOM 261 HG SER A 91 26.641 4.242 0.703 1.00 0.00 H ATOM 262 H SER A 91 27.506 0.941 -0.207 1.00 0.00 H ATOM 263 N ILE A 92 27.036 1.590 4.147 1.00 16.16 N ATOM 264 CA ILE A 92 25.990 1.523 5.172 1.00 15.34 C ATOM 265 C ILE A 92 24.783 2.369 4.771 1.00 13.01 C ATOM 266 O ILE A 92 23.643 1.937 4.917 1.00 13.60 O ATOM 267 CB ILE A 92 26.486 2.000 6.555 1.00 20.41 C ATOM 268 CG1 ILE A 92 27.744 1.242 6.981 1.00 30.97 C ATOM 269 CG2 ILE A 92 25.373 1.876 7.592 1.00 18.86 C ATOM 270 CD1 ILE A 92 27.533 -0.229 7.098 1.00 24.46 C ATOM 271 H ILE A 92 27.992 1.906 4.407 1.00 0.00 H ATOM 272 N ASP A 93 25.033 3.572 4.257 1.00 16.26 N ATOM 273 CA ASP A 93 23.923 4.458 3.889 1.00 15.86 C ATOM 274 C ASP A 93 23.055 3.834 2.798 1.00 14.28 C ATOM 275 O ASP A 93 21.827 3.913 2.847 1.00 15.65 O ATOM 276 CB ASP A 93 24.425 5.832 3.428 1.00 19.15 C ATOM 277 CG ASP A 93 25.031 6.650 4.549 1.00 30.90 C ATOM 278 OD1 ASP A 93 24.682 6.421 5.722 1.00 30.99 O ATOM 279 OD2 ASP A 93 25.855 7.537 4.245 1.00 33.27 O ATOM 280 H ASP A 93 26.015 3.883 4.116 1.00 0.00 H ATOM 281 N ASN A 94 23.689 3.212 1.811 1.00 15.52 N ATOM 282 CA ASN A 94 22.916 2.574 0.759 1.00 14.33 C ATOM 283 C ASN A 94 22.269 1.290 1.238 1.00 12.64 C ATOM 284 O ASN A 94 21.190 0.928 0.767 1.00 13.34 O ATOM 285 CB ASN A 94 23.748 2.357 -0.500 1.00 15.45 C ATOM 286 CG ASN A 94 23.960 3.638 -1.265 1.00 17.79 C ATOM 287 OD1 ASN A 94 23.075 4.490 -1.319 1.00 20.34 O ATOM 288 ND2 ASN A 94 25.145 3.796 -1.840 1.00 18.55 N ATOM 289 HD22 ASN A 94 25.862 3.047 -1.767 1.00 0.00 H ATOM 290 HD21 ASN A 94 25.357 4.669 -2.364 1.00 0.00 H ATOM 291 H ASN A 94 24.728 3.182 1.791 1.00 0.00 H ATOM 292 N ALA A 95 22.906 0.620 2.200 1.00 13.10 N ATOM 293 CA ALA A 95 22.281 -0.547 2.818 1.00 13.32 C ATOM 294 C ALA A 95 21.007 -0.147 3.573 1.00 11.30 C ATOM 295 O ALA A 95 19.984 -0.822 3.491 1.00 11.84 O ATOM 296 CB ALA A 95 23.253 -1.270 3.725 1.00 13.40 C ATOM 297 H ALA A 95 23.849 0.929 2.511 1.00 0.00 H ATOM 298 N SER A 96 21.059 0.981 4.270 1.00 12.64 N ATOM 299 CA SER A 96 19.880 1.466 4.978 1.00 13.00 C ATOM 300 C SER A 96 18.792 1.913 4.008 1.00 11.61 C ATOM 301 O SER A 96 17.614 1.677 4.256 1.00 12.89 O ATOM 302 CB SER A 96 20.243 2.619 5.900 1.00 13.93 C ATOM 303 OG SER A 96 21.028 2.149 6.970 1.00 15.90 O ATOM 304 HG SER A 96 21.260 2.906 7.565 1.00 0.00 H ATOM 305 H SER A 96 21.946 1.522 4.312 1.00 0.00 H ATOM 306 N TYR A 97 19.189 2.560 2.918 1.00 12.52 N ATOM 307 CA TYR A 97 18.250 2.884 1.853 1.00 13.49 C ATOM 308 C TYR A 97 17.541 1.619 1.354 1.00 11.85 C ATOM 309 O TYR A 97 16.315 1.579 1.265 1.00 13.31 O ATOM 310 CB TYR A 97 18.958 3.619 0.704 1.00 14.11 C ATOM 311 CG TYR A 97 18.065 3.904 -0.483 1.00 14.12 C ATOM 312 CD1 TYR A 97 17.263 5.031 -0.515 1.00 17.68 C ATOM 313 CD2 TYR A 97 18.014 3.025 -1.561 1.00 16.55 C ATOM 314 CE1 TYR A 97 16.437 5.288 -1.600 1.00 18.24 C ATOM 315 CE2 TYR A 97 17.194 3.269 -2.648 1.00 17.59 C ATOM 316 CZ TYR A 97 16.403 4.400 -2.655 1.00 19.57 C ATOM 317 OH TYR A 97 15.580 4.662 -3.730 1.00 23.63 O ATOM 318 HH TYR A 97 16.128 4.748 -4.550 1.00 0.00 H ATOM 319 H TYR A 97 20.186 2.840 2.824 1.00 0.00 H ATOM 320 N ASN A 98 18.315 0.584 1.052 1.00 11.62 N ATOM 321 CA ASN A 98 17.736 -0.670 0.599 1.00 12.50 C ATOM 322 C ASN A 98 16.800 -1.297 1.626 1.00 11.09 C ATOM 323 O ASN A 98 15.722 -1.800 1.271 1.00 12.69 O ATOM 324 CB ASN A 98 18.843 -1.651 0.238 1.00 13.07 C ATOM 325 CG ASN A 98 19.522 -1.297 -1.063 1.00 13.48 C ATOM 326 OD1 ASN A 98 19.155 -0.325 -1.732 1.00 15.28 O ATOM 327 ND2 ASN A 98 20.529 -2.086 -1.429 1.00 13.67 N ATOM 328 HD22 ASN A 98 20.801 -2.893 -0.832 1.00 0.00 H ATOM 329 HD21 ASN A 98 21.044 -1.896 -2.312 1.00 0.00 H ATOM 330 H ASN A 98 19.348 0.671 1.140 1.00 0.00 H ATOM 331 N ALA A 99 17.204 -1.250 2.893 1.00 10.86 N ATOM 332 CA ALA A 99 16.373 -1.780 3.966 1.00 10.63 C ATOM 333 C ALA A 99 15.020 -1.077 3.953 1.00 11.33 C ATOM 334 O ALA A 99 13.971 -1.722 4.071 1.00 13.16 O ATOM 335 CB ALA A 99 17.084 -1.583 5.311 1.00 11.20 C ATOM 336 H ALA A 99 18.127 -0.828 3.121 1.00 0.00 H ATOM 337 N ARG A 100 15.048 0.240 3.785 1.00 12.84 N ATOM 338 CA ARG A 100 13.817 1.022 3.751 1.00 12.40 C ATOM 339 C ARG A 100 12.964 0.672 2.539 1.00 13.06 C ATOM 340 O ARG A 100 11.747 0.571 2.661 1.00 16.81 O ATOM 341 CB ARG A 100 14.148 2.513 3.797 1.00 13.42 C ATOM 342 CG ARG A 100 14.711 2.902 5.161 1.00 14.02 C ATOM 343 CD ARG A 100 15.395 4.263 5.193 1.00 16.35 C ATOM 344 NE ARG A 100 15.929 4.450 6.537 1.00 16.02 N ATOM 345 CZ ARG A 100 17.079 5.038 6.835 1.00 16.80 C ATOM 346 NH1 ARG A 100 17.843 5.547 5.877 1.00 18.65 N ATOM 347 NH2 ARG A 100 17.459 5.114 8.102 1.00 18.65 N ATOM 348 HE ARG A 100 15.359 4.091 7.329 1.00 0.00 H ATOM 349 HH12 ARG A 100 18.744 6.007 6.119 1.00 0.00 H ATOM 350 HH11 ARG A 100 17.541 5.486 4.884 1.00 0.00 H ATOM 351 HH22 ARG A 100 18.359 5.573 8.348 1.00 0.00 H ATOM 352 HH21 ARG A 100 16.857 4.715 8.850 1.00 0.00 H ATOM 353 H ARG A 100 15.963 0.722 3.676 1.00 0.00 H ATOM 354 N LYS A 101 13.590 0.457 1.381 1.00 14.28 N ATOM 355 CA LYS A 101 12.834 0.036 0.198 1.00 16.32 C ATOM 356 C LYS A 101 12.173 -1.322 0.412 1.00 14.83 C ATOM 357 O LYS A 101 11.121 -1.606 -0.160 1.00 19.21 O ATOM 358 CB LYS A 101 13.710 -0.015 -1.057 1.00 18.51 C ATOM 359 CG LYS A 101 14.185 1.333 -1.557 1.00 19.37 C ATOM 360 CD LYS A 101 14.289 1.340 -3.085 1.00 20.96 C ATOM 361 CE LYS A 101 15.268 0.282 -3.592 1.00 18.46 C ATOM 362 NZ LYS A 101 15.410 0.343 -5.083 1.00 22.47 N ATOM 363 HZ1 LYS A 101 14.484 0.177 -5.525 1.00 0.00 H ATOM 364 HZ2 LYS A 101 15.764 1.281 -5.358 1.00 0.00 H ATOM 365 HZ3 LYS A 101 16.081 -0.387 -5.396 1.00 0.00 H ATOM 366 H LYS A 101 14.620 0.589 1.317 1.00 0.00 H ATOM 367 N LEU A 102 12.793 -2.150 1.250 1.00 13.94 N ATOM 368 CA LEU A 102 12.237 -3.449 1.588 1.00 14.72 C ATOM 369 C LEU A 102 11.175 -3.364 2.680 1.00 15.41 C ATOM 370 O LEU A 102 10.607 -4.386 3.060 1.00 18.34 O ATOM 371 CB LEU A 102 13.348 -4.411 2.031 1.00 14.80 C ATOM 372 CG LEU A 102 14.368 -4.795 0.956 1.00 14.65 C ATOM 373 CD1 LEU A 102 15.670 -5.253 1.584 1.00 16.19 C ATOM 374 CD2 LEU A 102 13.819 -5.863 0.023 1.00 14.88 C ATOM 375 H LEU A 102 13.698 -1.860 1.673 1.00 0.00 H ATOM 376 N GLY A 103 10.906 -2.164 3.189 1.00 13.87 N ATOM 377 CA GLY A 103 9.878 -1.986 4.199 1.00 15.85 C ATOM 378 C GLY A 103 10.375 -2.137 5.628 1.00 12.38 C ATOM 379 O GLY A 103 9.572 -2.296 6.555 1.00 17.45 O ATOM 380 H GLY A 103 11.443 -1.337 2.857 1.00 0.00 H ATOM 381 N LEU A 104 11.694 -2.100 5.803 1.00 12.95 N ATOM 382 CA LEU A 104 12.297 -2.207 7.137 1.00 12.80 C ATOM 383 C LEU A 104 12.701 -0.826 7.637 1.00 12.90 C ATOM 384 O LEU A 104 12.803 0.123 6.854 1.00 14.25 O ATOM 385 CB LEU A 104 13.513 -3.143 7.120 1.00 12.66 C ATOM 386 CG LEU A 104 13.293 -4.490 6.431 1.00 13.05 C ATOM 387 CD1 LEU A 104 14.586 -5.285 6.413 1.00 18.63 C ATOM 388 CD2 LEU A 104 12.172 -5.300 7.098 1.00 18.30 C ATOM 389 H LEU A 104 12.313 -1.993 4.974 1.00 0.00 H ATOM 390 N ALA A 105 12.923 -0.710 8.944 1.00 13.11 N ATOM 391 CA ALA A 105 13.177 0.588 9.557 1.00 13.74 C ATOM 392 C ALA A 105 14.404 0.576 10.459 1.00 12.33 C ATOM 393 O ALA A 105 14.285 0.495 11.676 1.00 12.91 O ATOM 394 CB ALA A 105 11.947 1.050 10.333 1.00 14.04 C ATOM 395 H ALA A 105 12.915 -1.562 9.540 1.00 0.00 H ATOM 396 N PRO A 106 15.598 0.677 9.858 1.00 12.59 N ATOM 397 CA PRO A 106 16.823 0.723 10.669 1.00 13.06 C ATOM 398 C PRO A 106 16.933 2.003 11.493 1.00 11.32 C ATOM 399 O PRO A 106 16.495 3.070 11.045 1.00 13.72 O ATOM 400 CB PRO A 106 17.947 0.700 9.624 1.00 15.27 C ATOM 401 CG PRO A 106 17.295 1.113 8.320 1.00 15.89 C ATOM 402 CD PRO A 106 15.866 0.652 8.408 1.00 14.76 C ATOM 403 N SER A 107 17.516 1.884 12.682 1.00 13.34 N ATOM 404 CA SER A 107 17.854 3.029 13.512 1.00 13.40 C ATOM 405 C SER A 107 19.351 3.234 13.450 1.00 13.37 C ATOM 406 O SER A 107 20.068 2.447 12.839 1.00 14.02 O ATOM 407 CB SER A 107 17.488 2.782 14.965 1.00 16.72 C ATOM 408 OG SER A 107 18.292 1.755 15.507 1.00 21.78 O ATOM 409 HG SER A 107 18.042 1.606 16.453 1.00 0.00 H ATOM 410 H SER A 107 17.740 0.931 13.033 1.00 0.00 H ATOM 411 N SER A 108 19.828 4.284 14.097 1.00 12.52 N ATOM 412 CA SER A 108 21.260 4.550 14.138 1.00 12.73 C ATOM 413 C SER A 108 21.992 3.469 14.914 1.00 15.01 C ATOM 414 O SER A 108 23.158 3.181 14.641 1.00 17.46 O ATOM 415 CB SER A 108 21.532 5.918 14.760 1.00 15.44 C ATOM 416 OG SER A 108 20.882 6.936 14.027 1.00 16.78 O ATOM 417 HG SER A 108 19.906 6.771 14.029 1.00 0.00 H ATOM 418 H SER A 108 19.172 4.929 14.583 1.00 0.00 H ATOM 419 N ILE A 109 21.315 2.871 15.886 1.00 13.91 N ATOM 420 CA ILE A 109 21.945 1.800 16.656 1.00 18.02 C ATOM 421 C ILE A 109 22.213 0.604 15.755 1.00 15.05 C ATOM 422 O ILE A 109 23.282 0.002 15.839 1.00 17.25 O ATOM 423 CB ILE A 109 21.145 1.418 17.919 1.00 23.44 C ATOM 424 CG1 ILE A 109 21.500 2.393 19.049 1.00 32.39 C ATOM 425 CG2 ILE A 109 21.462 -0.005 18.364 1.00 24.98 C ATOM 426 CD1 ILE A 109 20.805 2.117 20.371 1.00 40.31 C ATOM 427 H ILE A 109 20.340 3.163 16.099 1.00 0.00 H ATOM 428 N ASP A 110 21.277 0.294 14.863 1.00 14.22 N ATOM 429 CA ASP A 110 21.473 -0.794 13.904 1.00 12.96 C ATOM 430 C ASP A 110 22.670 -0.496 12.997 1.00 15.21 C ATOM 431 O ASP A 110 23.513 -1.362 12.769 1.00 15.38 O ATOM 432 CB ASP A 110 20.224 -0.988 13.036 1.00 13.56 C ATOM 433 CG ASP A 110 18.986 -1.286 13.850 1.00 15.32 C ATOM 434 OD1 ASP A 110 19.109 -1.914 14.929 1.00 16.64 O ATOM 435 OD2 ASP A 110 17.896 -0.876 13.403 1.00 15.65 O ATOM 436 H ASP A 110 20.389 0.835 14.846 1.00 0.00 H ATOM 437 N GLU A 111 22.728 0.720 12.466 1.00 14.74 N ATOM 438 CA GLU A 111 23.819 1.113 11.577 1.00 15.17 C ATOM 439 C GLU A 111 25.150 1.018 12.295 1.00 15.68 C ATOM 440 O GLU A 111 26.132 0.537 11.734 1.00 15.27 O ATOM 441 CB GLU A 111 23.615 2.536 11.047 1.00 14.58 C ATOM 442 CG GLU A 111 22.417 2.693 10.124 1.00 16.23 C ATOM 443 CD GLU A 111 22.307 4.085 9.535 1.00 17.47 C ATOM 444 OE1 GLU A 111 22.787 5.061 10.162 1.00 21.71 O ATOM 445 OE2 GLU A 111 21.736 4.222 8.433 1.00 20.85 O ATOM 446 H GLU A 111 21.980 1.408 12.688 1.00 0.00 H ATOM 447 N LYS A 112 25.190 1.478 13.536 1.00 13.86 N ATOM 448 CA LYS A 112 26.444 1.457 14.282 1.00 15.09 C ATOM 449 C LYS A 112 26.890 0.039 14.623 1.00 15.74 C ATOM 450 O LYS A 112 28.084 -0.245 14.620 1.00 16.61 O ATOM 451 CB LYS A 112 26.346 2.335 15.523 1.00 15.49 C ATOM 452 CG LYS A 112 26.377 3.824 15.191 1.00 17.22 C ATOM 453 CD LYS A 112 26.130 4.672 16.418 1.00 23.04 C ATOM 454 CE LYS A 112 26.269 6.146 16.096 1.00 31.48 C ATOM 455 NZ LYS A 112 25.929 6.984 17.275 1.00 43.31 N ATOM 456 HZ1 LYS A 112 24.947 6.796 17.561 1.00 0.00 H ATOM 457 HZ2 LYS A 112 26.570 6.752 18.060 1.00 0.00 H ATOM 458 HZ3 LYS A 112 26.033 7.988 17.026 1.00 0.00 H ATOM 459 H LYS A 112 24.328 1.854 13.979 1.00 0.00 H ATOM 460 N LYS A 113 25.937 -0.847 14.890 1.00 14.82 N ATOM 461 CA LYS A 113 26.244 -2.250 15.166 1.00 15.68 C ATOM 462 C LYS A 113 27.001 -2.867 14.008 1.00 13.64 C ATOM 463 O LYS A 113 28.070 -3.466 14.185 1.00 15.33 O ATOM 464 CB LYS A 113 24.958 -3.041 15.377 1.00 21.75 C ATOM 465 CG LYS A 113 24.550 -3.207 16.814 1.00 28.34 C ATOM 466 CD LYS A 113 23.436 -4.237 16.901 1.00 26.62 C ATOM 467 CE LYS A 113 22.791 -4.222 18.263 1.00 28.12 C ATOM 468 NZ LYS A 113 21.651 -5.168 18.305 1.00 26.69 N ATOM 469 HZ1 LYS A 113 20.946 -4.891 17.593 1.00 0.00 H ATOM 470 HZ2 LYS A 113 21.992 -6.129 18.102 1.00 0.00 H ATOM 471 HZ3 LYS A 113 21.218 -5.145 19.250 1.00 0.00 H ATOM 472 H LYS A 113 24.945 -0.534 14.903 1.00 0.00 H ATOM 473 N ILE A 114 26.460 -2.700 12.810 1.00 14.72 N ATOM 474 CA ILE A 114 27.033 -3.349 11.644 1.00 14.71 C ATOM 475 C ILE A 114 28.345 -2.669 11.253 1.00 16.55 C ATOM 476 O ILE A 114 29.298 -3.333 10.849 1.00 16.23 O ATOM 477 CB ILE A 114 26.025 -3.428 10.451 1.00 12.58 C ATOM 478 CG1 ILE A 114 26.393 -4.588 9.526 1.00 16.00 C ATOM 479 CG2 ILE A 114 25.928 -2.108 9.683 1.00 17.29 C ATOM 480 CD1 ILE A 114 26.103 -5.958 10.137 1.00 18.81 C ATOM 481 H ILE A 114 25.618 -2.099 12.704 1.00 0.00 H ATOM 482 N LYS A 115 28.410 -1.348 11.402 1.00 15.93 N ATOM 483 CA LYS A 115 29.617 -0.614 11.063 1.00 17.75 C ATOM 484 C LYS A 115 30.766 -1.015 11.978 1.00 19.81 C ATOM 485 O LYS A 115 31.912 -1.123 11.542 1.00 21.66 O ATOM 486 CB LYS A 115 29.374 0.894 11.159 1.00 18.12 C ATOM 487 CG LYS A 115 30.625 1.721 10.933 1.00 22.51 C ATOM 488 CD LYS A 115 30.364 3.207 11.109 1.00 25.31 C ATOM 489 CE LYS A 115 31.674 3.972 11.227 1.00 30.83 C ATOM 490 NZ LYS A 115 32.607 3.645 10.117 1.00 31.12 N ATOM 491 HZ1 LYS A 115 32.820 2.627 10.133 1.00 0.00 H ATOM 492 HZ2 LYS A 115 32.164 3.893 9.209 1.00 0.00 H ATOM 493 HZ3 LYS A 115 33.487 4.187 10.234 1.00 0.00 H ATOM 494 H LYS A 115 27.583 -0.833 11.767 1.00 0.00 H ATOM 495 N GLU A 116 30.459 -1.238 13.247 1.00 17.33 N ATOM 496 CA GLU A 116 31.514 -1.575 14.192 1.00 22.44 C ATOM 497 C GLU A 116 32.028 -3.005 13.995 1.00 21.40 C ATOM 498 O GLU A 116 33.188 -3.296 14.301 1.00 22.66 O ATOM 499 CB GLU A 116 31.077 -1.271 15.630 1.00 25.70 C ATOM 500 CG GLU A 116 31.007 0.238 15.893 1.00 22.56 C ATOM 501 CD GLU A 116 30.161 0.615 17.095 1.00 17.85 C ATOM 502 OE1 GLU A 116 29.715 1.785 17.162 1.00 23.29 O ATOM 503 OE2 GLU A 116 29.947 -0.247 17.971 1.00 24.51 O ATOM 504 H GLU A 116 29.471 -1.173 13.566 1.00 0.00 H ATOM 505 N LEU A 117 31.191 -3.882 13.450 1.00 17.52 N ATOM 506 CA LEU A 117 31.646 -5.227 13.101 1.00 16.09 C ATOM 507 C LEU A 117 32.450 -5.231 11.794 1.00 17.15 C ATOM 508 O LEU A 117 33.526 -5.831 11.718 1.00 20.24 O ATOM 509 CB LEU A 117 30.458 -6.196 12.992 1.00 18.88 C ATOM 510 CG LEU A 117 29.767 -6.613 14.290 1.00 20.86 C ATOM 511 CD1 LEU A 117 28.488 -7.352 13.990 1.00 20.60 C ATOM 512 CD2 LEU A 117 30.679 -7.479 15.136 1.00 21.49 C ATOM 513 H LEU A 117 30.204 -3.609 13.270 1.00 0.00 H ATOM 514 N TYR A 118 31.938 -4.545 10.776 1.00 17.37 N ATOM 515 CA TYR A 118 32.410 -4.751 9.411 1.00 16.23 C ATOM 516 C TYR A 118 32.909 -3.512 8.674 1.00 17.00 C ATOM 517 O TYR A 118 33.356 -3.611 7.534 1.00 21.98 O ATOM 518 CB TYR A 118 31.273 -5.361 8.593 1.00 16.94 C ATOM 519 CG TYR A 118 30.840 -6.742 9.018 1.00 14.62 C ATOM 520 CD1 TYR A 118 31.765 -7.767 9.163 1.00 15.83 C ATOM 521 CD2 TYR A 118 29.503 -7.026 9.248 1.00 16.61 C ATOM 522 CE1 TYR A 118 31.365 -9.045 9.533 1.00 16.31 C ATOM 523 CE2 TYR A 118 29.091 -8.293 9.619 1.00 17.86 C ATOM 524 CZ TYR A 118 30.026 -9.301 9.756 1.00 17.93 C ATOM 525 OH TYR A 118 29.610 -10.564 10.113 1.00 20.00 O ATOM 526 HH TYR A 118 28.978 -10.906 9.433 1.00 0.00 H ATOM 527 H TYR A 118 31.187 -3.849 10.956 1.00 0.00 H ATOM 528 N GLY A 119 32.808 -2.347 9.305 1.00 19.28 N ATOM 529 CA GLY A 119 33.239 -1.118 8.661 1.00 21.09 C ATOM 530 C GLY A 119 32.167 -0.485 7.786 1.00 18.47 C ATOM 531 O GLY A 119 30.986 -0.858 7.840 1.00 18.92 O ATOM 532 H GLY A 119 32.417 -2.315 10.268 1.00 0.00 H ATOM 533 N ASP A 120 32.604 0.459 6.954 1.00 23.60 N ATOM 534 CA ASP A 120 31.695 1.319 6.193 1.00 23.72 C ATOM 535 C ASP A 120 31.098 0.650 4.974 1.00 21.66 C ATOM 536 O ASP A 120 30.058 1.077 4.479 1.00 23.41 O ATOM 537 CB ASP A 120 32.438 2.577 5.736 1.00 27.96 C ATOM 538 CG ASP A 120 32.693 3.545 6.868 1.00 39.02 C ATOM 539 OD1 ASP A 120 31.743 3.824 7.630 1.00 44.88 O ATOM 540 OD2 ASP A 120 33.841 4.014 6.992 1.00 44.49 O ATOM 541 H ASP A 120 33.629 0.590 6.841 1.00 0.00 H ATOM 542 N ASN A 121 31.764 -0.387 4.482 1.00 19.89 N ATOM 543 CA ASN A 121 31.316 -1.069 3.277 1.00 20.36 C ATOM 544 C ASN A 121 31.148 -2.557 3.517 1.00 19.59 C ATOM 545 O ASN A 121 32.065 -3.232 4.000 1.00 22.55 O ATOM 546 CB ASN A 121 32.275 -0.802 2.112 1.00 29.51 C ATOM 547 CG ASN A 121 32.394 0.673 1.789 1.00 32.77 C ATOM 548 OD1 ASN A 121 31.414 1.315 1.411 1.00 34.08 O ATOM 549 ND2 ASN A 121 33.593 1.221 1.944 1.00 39.42 N ATOM 550 HD22 ASN A 121 34.393 0.639 2.266 1.00 0.00 H ATOM 551 HD21 ASN A 121 33.733 2.232 1.744 1.00 0.00 H ATOM 552 H ASN A 121 32.622 -0.719 4.967 1.00 0.00 H ATOM 553 N LEU A 122 29.966 -3.051 3.176 1.00 16.58 N ATOM 554 CA LEU A 122 29.555 -4.403 3.526 1.00 15.43 C ATOM 555 C LEU A 122 29.588 -5.318 2.312 1.00 18.24 C ATOM 556 O LEU A 122 29.134 -4.940 1.235 1.00 18.64 O ATOM 557 CB LEU A 122 28.130 -4.385 4.082 1.00 14.03 C ATOM 558 CG LEU A 122 27.852 -3.392 5.209 1.00 14.17 C ATOM 559 CD1 LEU A 122 26.386 -3.437 5.589 1.00 15.22 C ATOM 560 CD2 LEU A 122 28.729 -3.687 6.418 1.00 16.16 C ATOM 561 H LEU A 122 29.308 -2.451 2.639 1.00 0.00 H ATOM 562 N THR A 123 30.106 -6.531 2.491 1.00 16.10 N ATOM 563 CA THR A 123 29.918 -7.571 1.487 1.00 16.78 C ATOM 564 C THR A 123 28.448 -7.960 1.435 1.00 16.32 C ATOM 565 O THR A 123 27.655 -7.535 2.284 1.00 16.06 O ATOM 566 CB THR A 123 30.719 -8.831 1.818 1.00 16.53 C ATOM 567 OG1 THR A 123 30.219 -9.401 3.036 1.00 18.56 O ATOM 568 CG2 THR A 123 32.191 -8.513 1.970 1.00 19.13 C ATOM 569 HG1 THR A 123 30.735 -10.217 3.253 1.00 0.00 H ATOM 570 H THR A 123 30.649 -6.738 3.354 1.00 0.00 H ATOM 571 N TYR A 124 28.081 -8.785 0.463 1.00 16.50 N ATOM 572 CA TYR A 124 26.687 -9.177 0.338 1.00 14.88 C ATOM 573 C TYR A 124 26.195 -9.864 1.606 1.00 13.84 C ATOM 574 O TYR A 124 25.117 -9.543 2.104 1.00 16.02 O ATOM 575 CB TYR A 124 26.458 -10.068 -0.883 1.00 18.66 C ATOM 576 CG TYR A 124 24.996 -10.383 -1.092 1.00 18.45 C ATOM 577 CD1 TYR A 124 24.120 -9.414 -1.566 1.00 17.73 C ATOM 578 CD2 TYR A 124 24.485 -11.638 -0.796 1.00 20.76 C ATOM 579 CE1 TYR A 124 22.780 -9.691 -1.752 1.00 19.18 C ATOM 580 CE2 TYR A 124 23.148 -11.923 -0.978 1.00 20.56 C ATOM 581 CZ TYR A 124 22.300 -10.943 -1.452 1.00 23.59 C ATOM 582 OH TYR A 124 20.963 -11.211 -1.648 1.00 24.08 O ATOM 583 HH TYR A 124 20.511 -10.399 -1.989 1.00 0.00 H ATOM 584 H TYR A 124 28.788 -9.150 -0.207 1.00 0.00 H ATOM 585 N GLU A 125 26.989 -10.782 2.144 1.00 17.42 N ATOM 586 CA GLU A 125 26.570 -11.493 3.347 1.00 17.50 C ATOM 587 C GLU A 125 26.467 -10.563 4.549 1.00 15.97 C ATOM 588 O GLU A 125 25.559 -10.695 5.373 1.00 17.52 O ATOM 589 CB GLU A 125 27.509 -12.665 3.651 1.00 21.14 C ATOM 590 CG GLU A 125 27.394 -13.221 5.068 1.00 27.34 C ATOM 591 CD GLU A 125 26.053 -13.872 5.360 1.00 33.81 C ATOM 592 OE1 GLU A 125 25.416 -14.398 4.420 1.00 34.71 O ATOM 593 OE2 GLU A 125 25.643 -13.864 6.544 1.00 30.06 O ATOM 594 H GLU A 125 27.909 -10.994 1.708 1.00 0.00 H ATOM 595 N GLN A 126 27.388 -9.612 4.650 1.00 16.46 N ATOM 596 CA GLN A 126 27.340 -8.657 5.750 1.00 14.29 C ATOM 597 C GLN A 126 26.100 -7.772 5.656 1.00 13.68 C ATOM 598 O GLN A 126 25.495 -7.424 6.662 1.00 13.88 O ATOM 599 CB GLN A 126 28.628 -7.833 5.790 1.00 13.58 C ATOM 600 CG GLN A 126 29.852 -8.708 6.104 1.00 17.04 C ATOM 601 CD GLN A 126 31.157 -8.070 5.701 1.00 17.29 C ATOM 602 OE1 GLN A 126 31.182 -6.966 5.153 1.00 18.36 O ATOM 603 NE2 GLN A 126 32.256 -8.764 5.963 1.00 18.91 N ATOM 604 HE22 GLN A 126 32.187 -9.692 6.427 1.00 0.00 H ATOM 605 HE21 GLN A 126 33.187 -8.380 5.704 1.00 0.00 H ATOM 606 H GLN A 126 28.147 -9.548 3.941 1.00 0.00 H ATOM 607 N TYR A 127 25.731 -7.434 4.431 1.00 13.77 N ATOM 608 CA TYR A 127 24.507 -6.701 4.139 1.00 11.22 C ATOM 609 C TYR A 127 23.265 -7.505 4.529 1.00 12.34 C ATOM 610 O TYR A 127 22.329 -6.948 5.115 1.00 13.22 O ATOM 611 CB TYR A 127 24.537 -6.329 2.659 1.00 14.78 C ATOM 612 CG TYR A 127 23.247 -6.027 1.929 1.00 12.81 C ATOM 613 CD1 TYR A 127 22.632 -4.788 2.048 1.00 14.01 C ATOM 614 CD2 TYR A 127 22.721 -6.931 1.017 1.00 14.17 C ATOM 615 CE1 TYR A 127 21.483 -4.481 1.322 1.00 14.14 C ATOM 616 CE2 TYR A 127 21.587 -6.640 0.282 1.00 13.88 C ATOM 617 CZ TYR A 127 20.968 -5.414 0.439 1.00 13.38 C ATOM 618 OH TYR A 127 19.852 -5.108 -0.293 1.00 14.11 O ATOM 619 HH TYR A 127 20.072 -5.142 -1.258 1.00 0.00 H ATOM 620 H TYR A 127 26.346 -7.705 3.637 1.00 0.00 H ATOM 621 N LEU A 128 23.254 -8.804 4.234 1.00 15.51 N ATOM 622 CA LEU A 128 22.167 -9.664 4.708 1.00 13.99 C ATOM 623 C LEU A 128 22.071 -9.651 6.232 1.00 15.13 C ATOM 624 O LEU A 128 20.979 -9.559 6.793 1.00 15.36 O ATOM 625 CB LEU A 128 22.351 -11.104 4.234 1.00 16.97 C ATOM 626 CG LEU A 128 22.220 -11.416 2.752 1.00 19.34 C ATOM 627 CD1 LEU A 128 22.257 -12.906 2.562 1.00 20.83 C ATOM 628 CD2 LEU A 128 20.912 -10.879 2.256 1.00 24.44 C ATOM 629 H LEU A 128 24.023 -9.210 3.663 1.00 0.00 H ATOM 630 N GLU A 129 23.216 -9.753 6.901 1.00 14.14 N ATOM 631 CA GLU A 129 23.234 -9.696 8.361 1.00 15.48 C ATOM 632 C GLU A 129 22.664 -8.372 8.862 1.00 14.17 C ATOM 633 O GLU A 129 21.881 -8.346 9.814 1.00 14.76 O ATOM 634 CB GLU A 129 24.654 -9.945 8.886 1.00 16.99 C ATOM 635 CG GLU A 129 25.113 -11.379 8.664 1.00 16.20 C ATOM 636 CD GLU A 129 26.557 -11.613 9.049 1.00 22.79 C ATOM 637 OE1 GLU A 129 27.105 -10.825 9.843 1.00 24.84 O ATOM 638 OE2 GLU A 129 27.145 -12.595 8.554 1.00 28.56 O ATOM 639 H GLU A 129 24.108 -9.875 6.380 1.00 0.00 H ATOM 640 N TYR A 130 23.059 -7.279 8.216 1.00 12.52 N ATOM 641 CA TYR A 130 22.574 -5.955 8.584 1.00 12.66 C ATOM 642 C TYR A 130 21.065 -5.859 8.386 1.00 13.19 C ATOM 643 O TYR A 130 20.365 -5.221 9.172 1.00 13.18 O ATOM 644 CB TYR A 130 23.283 -4.877 7.762 1.00 12.66 C ATOM 645 CG TYR A 130 22.720 -3.488 7.959 1.00 11.91 C ATOM 646 CD1 TYR A 130 22.717 -2.889 9.211 1.00 14.23 C ATOM 647 CD2 TYR A 130 22.191 -2.774 6.891 1.00 14.23 C ATOM 648 CE1 TYR A 130 22.204 -1.619 9.395 1.00 13.28 C ATOM 649 CE2 TYR A 130 21.675 -1.504 7.065 1.00 14.11 C ATOM 650 CZ TYR A 130 21.684 -0.932 8.319 1.00 12.01 C ATOM 651 OH TYR A 130 21.172 0.333 8.498 1.00 15.17 O ATOM 652 HH TYR A 130 21.676 0.974 7.936 1.00 0.00 H ATOM 653 H TYR A 130 23.731 -7.371 7.428 1.00 0.00 H ATOM 654 N LEU A 131 20.571 -6.498 7.331 1.00 12.20 N ATOM 655 CA LEU A 131 19.144 -6.501 7.035 1.00 11.90 C ATOM 656 C LEU A 131 18.367 -7.233 8.124 1.00 13.63 C ATOM 657 O LEU A 131 17.280 -6.810 8.515 1.00 14.06 O ATOM 658 CB LEU A 131 18.880 -7.148 5.674 1.00 12.24 C ATOM 659 CG LEU A 131 19.192 -6.293 4.445 1.00 12.30 C ATOM 660 CD1 LEU A 131 18.657 -6.951 3.182 1.00 14.35 C ATOM 661 CD2 LEU A 131 18.624 -4.892 4.605 1.00 13.61 C ATOM 662 H LEU A 131 21.220 -7.010 6.700 1.00 0.00 H ATOM 663 N SER A 132 18.934 -8.333 8.609 1.00 14.69 N ATOM 664 CA SER A 132 18.302 -9.119 9.666 1.00 13.27 C ATOM 665 C SER A 132 18.126 -8.307 10.967 1.00 16.11 C ATOM 666 O SER A 132 17.137 -8.478 11.687 1.00 17.70 O ATOM 667 CB SER A 132 19.038 -10.448 9.916 1.00 19.60 C ATOM 668 OG SER A 132 20.254 -10.274 10.627 1.00 17.79 O ATOM 669 HG SER A 132 20.857 -9.685 10.108 1.00 0.00 H ATOM 670 H SER A 132 19.850 -8.642 8.226 1.00 0.00 H ATOM 671 N ILE A 133 19.078 -7.416 11.235 1.00 16.82 N ATOM 672 CA ILE A 133 19.042 -6.520 12.394 1.00 16.27 C ATOM 673 C ILE A 133 17.941 -5.467 12.235 1.00 16.70 C ATOM 674 O ILE A 133 17.407 -4.951 13.218 1.00 18.99 O ATOM 675 CB ILE A 133 20.424 -5.818 12.562 1.00 18.39 C ATOM 676 CG1 ILE A 133 21.509 -6.841 12.895 1.00 24.50 C ATOM 677 CG2 ILE A 133 20.391 -4.740 13.631 1.00 33.01 C ATOM 678 CD1 ILE A 133 22.917 -6.261 12.857 1.00 26.15 C ATOM 679 H ILE A 133 19.890 -7.352 10.588 1.00 0.00 H ATOM 680 N CYS A 134 17.596 -5.160 10.991 1.00 14.38 N ATOM 681 CA CYS A 134 16.609 -4.124 10.693 1.00 16.52 C ATOM 682 C CYS A 134 15.139 -4.542 10.801 1.00 15.53 C ATOM 683 O CYS A 134 14.250 -3.695 10.710 1.00 16.07 O ATOM 684 CB CYS A 134 16.836 -3.571 9.284 1.00 13.37 C ATOM 685 SG CYS A 134 18.390 -2.711 9.053 1.00 16.84 S ATOM 686 H CYS A 134 18.042 -5.673 10.203 1.00 0.00 H ATOM 687 N VAL A 135 14.869 -5.833 10.973 1.00 15.88 N ATOM 688 CA VAL A 135 13.492 -6.330 10.933 1.00 17.31 C ATOM 689 C VAL A 135 12.591 -5.784 12.059 1.00 20.99 C ATOM 690 O VAL A 135 11.455 -5.356 11.814 1.00 23.05 O ATOM 691 CB VAL A 135 13.490 -7.858 10.917 1.00 17.61 C ATOM 692 CG1 VAL A 135 12.092 -8.393 11.081 1.00 20.01 C ATOM 693 CG2 VAL A 135 14.091 -8.350 9.613 1.00 19.32 C ATOM 694 H VAL A 135 15.649 -6.501 11.139 1.00 0.00 H ATOM 695 N HIS A 136 13.110 -5.817 13.281 1.00 16.46 N ATOM 696 CA HIS A 136 12.432 -5.291 14.471 1.00 14.83 C ATOM 697 C HIS A 136 11.005 -5.808 14.700 1.00 16.14 C ATOM 698 O HIS A 136 10.053 -5.026 14.803 1.00 16.33 O ATOM 699 CB HIS A 136 12.472 -3.751 14.512 1.00 15.72 C ATOM 700 CG HIS A 136 13.852 -3.192 14.653 1.00 15.42 C ATOM 701 ND1 HIS A 136 14.581 -3.292 15.818 1.00 27.24 N ATOM 702 CD2 HIS A 136 14.636 -2.525 13.774 1.00 15.82 C ATOM 703 CE1 HIS A 136 15.754 -2.704 15.655 1.00 27.23 C ATOM 704 NE2 HIS A 136 15.810 -2.226 14.423 1.00 18.73 N ATOM 705 H HIS A 136 14.052 -6.240 13.401 1.00 0.00 H ATOM 706 N ASP A 137 10.886 -7.128 14.809 1.00 18.31 N ATOM 707 CA ASP A 137 9.597 -7.783 14.998 1.00 19.08 C ATOM 708 C ASP A 137 8.865 -7.362 16.276 1.00 21.46 C ATOM 709 O ASP A 137 7.661 -7.554 16.382 1.00 25.41 O ATOM 710 CB ASP A 137 9.750 -9.309 14.980 1.00 25.17 C ATOM 711 CG ASP A 137 9.669 -9.897 13.582 1.00 30.52 C ATOM 712 OD1 ASP A 137 9.168 -9.217 12.660 1.00 34.83 O ATOM 713 OD2 ASP A 137 10.093 -11.061 13.417 1.00 38.08 O ATOM 714 H ASP A 137 11.743 -7.714 14.758 1.00 0.00 H ATOM 715 N LYS A 138 9.578 -6.780 17.237 1.00 19.17 N ATOM 716 CA LYS A 138 8.955 -6.366 18.492 1.00 22.23 C ATOM 717 C LYS A 138 8.335 -4.963 18.431 1.00 19.90 C ATOM 718 O LYS A 138 7.726 -4.496 19.407 1.00 21.70 O ATOM 719 CB LYS A 138 9.951 -6.466 19.657 1.00 26.69 C ATOM 720 CG LYS A 138 10.337 -7.899 20.020 1.00 32.67 C ATOM 721 CD LYS A 138 11.394 -7.940 21.116 1.00 42.80 C ATOM 722 H LYS A 138 10.595 -6.617 17.092 1.00 0.00 H ATOM 723 N ASP A 139 8.494 -4.289 17.291 1.00 18.56 N ATOM 724 CA ASP A 139 7.886 -2.972 17.103 1.00 19.31 C ATOM 725 C ASP A 139 6.408 -3.018 17.426 1.00 20.31 C ATOM 726 O ASP A 139 5.685 -3.927 16.996 1.00 24.74 O ATOM 727 CB ASP A 139 8.081 -2.454 15.677 1.00 17.66 C ATOM 728 CG ASP A 139 9.417 -1.763 15.477 1.00 18.95 C ATOM 729 OD1 ASP A 139 10.129 -1.530 16.477 1.00 18.38 O ATOM 730 OD2 ASP A 139 9.743 -1.448 14.311 1.00 19.13 O ATOM 731 H ASP A 139 9.059 -4.706 16.524 1.00 0.00 H ATOM 732 N ASN A 140 5.978 -2.025 18.190 1.00 21.17 N ATOM 733 CA ASN A 140 4.677 -2.026 18.826 1.00 26.38 C ATOM 734 C ASN A 140 4.101 -0.612 18.783 1.00 26.09 C ATOM 735 O ASN A 140 4.715 0.331 19.288 1.00 25.43 O ATOM 736 CB ASN A 140 4.848 -2.553 20.262 1.00 27.10 C ATOM 737 CG ASN A 140 3.643 -2.322 21.127 1.00 33.48 C ATOM 738 OD1 ASN A 140 3.451 -1.234 21.657 1.00 46.83 O ATOM 739 ND2 ASN A 140 2.849 -3.362 21.324 1.00 44.28 N ATOM 740 HD22 ASN A 140 3.051 -4.267 20.853 1.00 0.00 H ATOM 741 HD21 ASN A 140 2.023 -3.274 21.950 1.00 0.00 H ATOM 742 H ASN A 140 6.603 -1.207 18.340 1.00 0.00 H ATOM 743 N VAL A 141 2.930 -0.460 18.167 1.00 22.97 N ATOM 744 CA VAL A 141 2.360 0.868 17.955 1.00 23.80 C ATOM 745 C VAL A 141 2.036 1.565 19.269 1.00 19.73 C ATOM 746 O VAL A 141 2.130 2.788 19.368 1.00 17.21 O ATOM 747 CB VAL A 141 1.109 0.829 17.038 1.00 26.78 C ATOM 748 CG1 VAL A 141 -0.031 0.033 17.674 1.00 34.80 C ATOM 749 CG2 VAL A 141 0.665 2.242 16.684 1.00 28.25 C ATOM 750 H VAL A 141 2.414 -1.299 17.832 1.00 0.00 H ATOM 751 N GLU A 142 1.657 0.780 20.272 1.00 19.44 N ATOM 752 CA GLU A 142 1.322 1.361 21.584 1.00 19.87 C ATOM 753 C GLU A 142 2.500 2.045 22.215 1.00 19.63 C ATOM 754 O GLU A 142 2.331 3.100 22.826 1.00 20.24 O ATOM 755 CB GLU A 142 0.795 0.295 22.550 1.00 23.37 C ATOM 756 CG GLU A 142 -0.649 -0.118 22.319 1.00 26.22 C ATOM 757 CD GLU A 142 -0.807 -1.080 21.161 1.00 29.21 C ATOM 758 OE1 GLU A 142 -1.930 -1.587 20.951 1.00 29.51 O ATOM 759 OE2 GLU A 142 0.194 -1.336 20.461 1.00 24.88 O ATOM 760 H GLU A 142 1.597 -0.249 20.130 1.00 0.00 H ATOM 761 N GLU A 143 3.693 1.479 22.065 1.00 20.53 N ATOM 762 CA GLU A 143 4.896 2.082 22.629 1.00 18.88 C ATOM 763 C GLU A 143 5.181 3.412 21.954 1.00 21.01 C ATOM 764 O GLU A 143 5.621 4.371 22.601 1.00 20.65 O ATOM 765 CB GLU A 143 6.104 1.158 22.469 1.00 21.64 C ATOM 766 CG GLU A 143 6.201 0.043 23.490 1.00 30.56 C ATOM 767 CD GLU A 143 7.519 -0.702 23.380 1.00 43.21 C ATOM 768 OE1 GLU A 143 7.667 -1.499 22.431 1.00 48.78 O ATOM 769 OE2 GLU A 143 8.409 -0.477 24.231 1.00 48.51 O ATOM 770 H GLU A 143 3.771 0.588 21.535 1.00 0.00 H ATOM 771 N LEU A 144 4.943 3.472 20.648 1.00 17.16 N ATOM 772 CA LEU A 144 5.176 4.701 19.905 1.00 19.51 C ATOM 773 C LEU A 144 4.195 5.779 20.347 1.00 16.19 C ATOM 774 O LEU A 144 4.579 6.927 20.586 1.00 16.62 O ATOM 775 CB LEU A 144 5.050 4.456 18.402 1.00 18.45 C ATOM 776 CG LEU A 144 5.846 3.284 17.832 1.00 20.21 C ATOM 777 CD1 LEU A 144 5.763 3.274 16.311 1.00 27.43 C ATOM 778 CD2 LEU A 144 7.303 3.271 18.297 1.00 21.48 C ATOM 779 H LEU A 144 4.586 2.631 20.151 1.00 0.00 H ATOM 780 N ILE A 145 2.928 5.399 20.466 1.00 14.28 N ATOM 781 CA ILE A 145 1.897 6.320 20.920 1.00 15.63 C ATOM 782 C ILE A 145 2.192 6.862 22.319 1.00 15.77 C ATOM 783 O ILE A 145 2.053 8.061 22.568 1.00 17.07 O ATOM 784 CB ILE A 145 0.521 5.636 20.903 1.00 16.63 C ATOM 785 CG1 ILE A 145 0.138 5.274 19.462 1.00 19.25 C ATOM 786 CG2 ILE A 145 -0.536 6.521 21.566 1.00 20.54 C ATOM 787 CD1 ILE A 145 -1.040 4.325 19.359 1.00 21.79 C ATOM 788 H ILE A 145 2.667 4.421 20.229 1.00 0.00 H ATOM 789 N LYS A 146 2.594 5.982 23.234 1.00 14.20 N ATOM 790 CA LYS A 146 2.875 6.386 24.608 1.00 15.34 C ATOM 791 C LYS A 146 4.072 7.332 24.695 1.00 14.88 C ATOM 792 O LYS A 146 4.135 8.185 25.578 1.00 16.97 O ATOM 793 CB LYS A 146 3.091 5.150 25.489 1.00 20.60 C ATOM 794 CG LYS A 146 1.839 4.299 25.633 1.00 22.22 C ATOM 795 CD LYS A 146 2.104 2.954 26.300 1.00 24.30 C ATOM 796 CE LYS A 146 0.824 2.115 26.337 1.00 25.29 C ATOM 797 NZ LYS A 146 1.036 0.693 26.777 1.00 25.21 N ATOM 798 HZ1 LYS A 146 1.693 0.223 26.122 1.00 0.00 H ATOM 799 HZ2 LYS A 146 1.437 0.684 27.737 1.00 0.00 H ATOM 800 HZ3 LYS A 146 0.125 0.192 26.776 1.00 0.00 H ATOM 801 H LYS A 146 2.710 4.985 22.963 1.00 0.00 H ATOM 802 N MET A 147 5.031 7.175 23.790 1.00 16.66 N ATOM 803 CA MET A 147 6.148 8.114 23.716 1.00 17.36 C ATOM 804 C MET A 147 5.636 9.533 23.431 1.00 14.09 C ATOM 805 O MET A 147 6.010 10.486 24.128 1.00 17.73 O ATOM 806 CB MET A 147 7.154 7.658 22.652 1.00 17.74 C ATOM 807 CG MET A 147 8.399 8.516 22.522 1.00 16.94 C ATOM 808 SD MET A 147 8.171 10.026 21.574 1.00 16.30 S ATOM 809 CE MET A 147 7.600 9.357 20.013 1.00 16.39 C ATOM 810 H MET A 147 4.987 6.375 23.127 1.00 0.00 H ATOM 811 N PHE A 148 4.775 9.676 22.424 1.00 14.34 N ATOM 812 CA PHE A 148 4.174 10.976 22.132 1.00 12.85 C ATOM 813 C PHE A 148 3.241 11.436 23.241 1.00 13.59 C ATOM 814 O PHE A 148 3.183 12.631 23.542 1.00 14.78 O ATOM 815 CB PHE A 148 3.409 10.969 20.807 1.00 13.21 C ATOM 816 CG PHE A 148 4.291 11.105 19.601 1.00 13.97 C ATOM 817 CD1 PHE A 148 5.052 12.252 19.406 1.00 13.08 C ATOM 818 CD2 PHE A 148 4.360 10.091 18.649 1.00 15.36 C ATOM 819 CE1 PHE A 148 5.877 12.387 18.280 1.00 16.02 C ATOM 820 CE2 PHE A 148 5.177 10.220 17.523 1.00 15.17 C ATOM 821 CZ PHE A 148 5.934 11.362 17.336 1.00 15.02 C ATOM 822 H PHE A 148 4.528 8.853 21.839 1.00 0.00 H ATOM 823 N ALA A 149 2.519 10.499 23.860 1.00 15.10 N ATOM 824 CA ALA A 149 1.564 10.857 24.908 1.00 16.62 C ATOM 825 C ALA A 149 2.275 11.558 26.059 1.00 16.71 C ATOM 826 O ALA A 149 1.711 12.418 26.736 1.00 18.39 O ATOM 827 CB ALA A 149 0.826 9.616 25.415 1.00 19.89 C ATOM 828 H ALA A 149 2.637 9.501 23.593 1.00 0.00 H ATOM 829 N HIS A 150 3.534 11.187 26.272 1.00 16.19 N ATOM 830 CA HIS A 150 4.364 11.810 27.282 1.00 19.40 C ATOM 831 C HIS A 150 4.463 13.328 27.115 1.00 19.52 C ATOM 832 O HIS A 150 4.495 14.069 28.098 1.00 23.61 O ATOM 833 CB HIS A 150 5.761 11.204 27.231 1.00 22.30 C ATOM 834 CG HIS A 150 6.719 11.851 28.171 1.00 24.22 C ATOM 835 ND1 HIS A 150 6.767 11.535 29.511 1.00 24.25 N ATOM 836 CD2 HIS A 150 7.654 12.807 27.972 1.00 30.04 C ATOM 837 CE1 HIS A 150 7.695 12.269 30.098 1.00 36.00 C ATOM 838 NE2 HIS A 150 8.247 13.049 29.186 1.00 33.60 N ATOM 839 H HIS A 150 3.937 10.423 25.693 1.00 0.00 H ATOM 840 N PHE A 151 4.509 13.782 25.865 1.00 17.68 N ATOM 841 CA PHE A 151 4.652 15.204 25.556 1.00 20.23 C ATOM 842 C PHE A 151 3.314 15.916 25.507 1.00 25.05 C ATOM 843 O PHE A 151 3.260 17.143 25.378 1.00 31.12 O ATOM 844 CB PHE A 151 5.334 15.376 24.201 1.00 17.08 C ATOM 845 CG PHE A 151 6.766 14.951 24.184 1.00 21.23 C ATOM 846 CD1 PHE A 151 7.744 15.772 24.724 1.00 22.18 C ATOM 847 CD2 PHE A 151 7.141 13.740 23.622 1.00 20.24 C ATOM 848 CE1 PHE A 151 9.076 15.395 24.703 1.00 23.64 C ATOM 849 CE2 PHE A 151 8.463 13.350 23.601 1.00 23.29 C ATOM 850 CZ PHE A 151 9.438 14.176 24.142 1.00 22.81 C ATOM 851 H PHE A 151 4.441 13.102 25.081 1.00 0.00 H ATOM 852 N ASP A 152 2.237 15.146 25.600 1.00 20.34 N ATOM 853 CA ASP A 152 0.897 15.683 25.439 1.00 23.77 C ATOM 854 C ASP A 152 0.425 16.172 26.793 1.00 30.70 C ATOM 855 O ASP A 152 -0.281 15.474 27.515 1.00 25.15 O ATOM 856 CB ASP A 152 -0.030 14.610 24.861 1.00 24.19 C ATOM 857 CG ASP A 152 -1.450 15.095 24.656 1.00 26.78 C ATOM 858 OD1 ASP A 152 -1.734 16.302 24.837 1.00 28.88 O ATOM 859 OD2 ASP A 152 -2.298 14.250 24.318 1.00 22.87 O ATOM 860 H ASP A 152 2.356 14.131 25.793 1.00 0.00 H ATOM 861 N ASN A 153 0.820 17.401 27.107 1.00 36.02 N ATOM 862 CA ASN A 153 0.671 17.965 28.437 1.00 35.75 C ATOM 863 C ASN A 153 -0.778 18.130 28.909 1.00 39.73 C ATOM 864 O ASN A 153 -1.050 18.130 30.110 1.00 46.62 O ATOM 865 CB ASN A 153 1.430 19.294 28.522 1.00 36.99 C ATOM 866 CG ASN A 153 2.146 19.461 29.844 1.00 45.01 C ATOM 867 OD1 ASN A 153 2.622 18.484 30.427 1.00 51.51 O ATOM 868 ND2 ASN A 153 2.214 20.693 30.337 1.00 38.78 N ATOM 869 HD22 ASN A 153 1.798 21.488 29.810 1.00 0.00 H ATOM 870 HD21 ASN A 153 2.683 20.863 31.250 1.00 0.00 H ATOM 871 H ASN A 153 1.256 17.986 26.366 1.00 0.00 H ATOM 872 N ASN A 154 -1.704 18.251 27.967 1.00 37.85 N ATOM 873 CA ASN A 154 -3.107 18.454 28.315 1.00 38.79 C ATOM 874 C ASN A 154 -3.973 17.234 28.019 1.00 34.24 C ATOM 875 O ASN A 154 -5.198 17.295 28.137 1.00 33.97 O ATOM 876 CB ASN A 154 -3.660 19.684 27.592 1.00 41.41 C ATOM 877 H ASN A 154 -1.426 18.201 26.966 1.00 0.00 H ATOM 878 N CYS A 155 -3.322 16.137 27.626 1.00 30.54 N ATOM 879 CA CYS A 155 -4.004 14.876 27.340 1.00 33.71 C ATOM 880 C CYS A 155 -5.116 15.035 26.304 1.00 32.14 C ATOM 881 O CYS A 155 -6.198 14.478 26.451 1.00 33.49 O ATOM 882 CB CYS A 155 -4.558 14.269 28.632 1.00 39.13 C ATOM 883 SG CYS A 155 -3.283 13.989 29.886 1.00 43.35 S ATOM 884 H CYS A 155 -2.288 16.181 27.519 1.00 0.00 H ATOM 885 N THR A 156 -4.835 15.795 25.251 1.00 22.73 N ATOM 886 CA THR A 156 -5.834 16.079 24.224 1.00 23.09 C ATOM 887 C THR A 156 -5.828 15.074 23.078 1.00 21.32 C ATOM 888 O THR A 156 -6.812 14.964 22.340 1.00 24.71 O ATOM 889 CB THR A 156 -5.620 17.474 23.621 1.00 22.56 C ATOM 890 OG1 THR A 156 -4.361 17.511 22.940 1.00 20.23 O ATOM 891 CG2 THR A 156 -5.648 18.532 24.721 1.00 24.93 C ATOM 892 HG1 THR A 156 -3.634 17.313 23.582 1.00 0.00 H ATOM 893 H THR A 156 -3.881 16.197 25.156 1.00 0.00 H ATOM 894 N GLY A 157 -4.726 14.351 22.926 1.00 22.65 N ATOM 895 CA GLY A 157 -4.573 13.441 21.805 1.00 21.02 C ATOM 896 C GLY A 157 -3.931 14.127 20.616 1.00 20.56 C ATOM 897 O GLY A 157 -3.694 13.488 19.587 1.00 20.14 O ATOM 898 H GLY A 157 -3.958 14.438 23.622 1.00 0.00 H ATOM 899 N TYR A 158 -3.639 15.422 20.752 1.00 17.53 N ATOM 900 CA TYR A 158 -3.040 16.188 19.659 1.00 16.10 C ATOM 901 C TYR A 158 -1.737 16.848 20.060 1.00 18.46 C ATOM 902 O TYR A 158 -1.563 17.277 21.210 1.00 21.15 O ATOM 903 CB TYR A 158 -3.981 17.294 19.162 1.00 17.82 C ATOM 904 CG TYR A 158 -5.305 16.807 18.648 1.00 20.50 C ATOM 905 CD1 TYR A 158 -5.425 16.281 17.370 1.00 21.06 C ATOM 906 CD2 TYR A 158 -6.437 16.888 19.434 1.00 20.50 C ATOM 907 CE1 TYR A 158 -6.647 15.841 16.892 1.00 25.01 C ATOM 908 CE2 TYR A 158 -7.658 16.455 18.970 1.00 25.68 C ATOM 909 CZ TYR A 158 -7.756 15.928 17.702 1.00 27.78 C ATOM 910 OH TYR A 158 -8.979 15.495 17.250 1.00 30.69 O ATOM 911 HH TYR A 158 -9.313 14.776 17.843 1.00 0.00 H ATOM 912 H TYR A 158 -3.842 15.897 21.655 1.00 0.00 H ATOM 913 N LEU A 159 -0.842 16.944 19.084 1.00 16.36 N ATOM 914 CA LEU A 159 0.335 17.789 19.173 1.00 15.92 C ATOM 915 C LEU A 159 0.371 18.592 17.882 1.00 18.27 C ATOM 916 O LEU A 159 0.014 18.087 16.814 1.00 18.86 O ATOM 917 CB LEU A 159 1.602 16.944 19.320 1.00 14.39 C ATOM 918 CG LEU A 159 1.752 16.164 20.627 1.00 14.09 C ATOM 919 CD1 LEU A 159 2.820 15.095 20.503 1.00 16.66 C ATOM 920 CD2 LEU A 159 2.077 17.107 21.788 1.00 18.36 C ATOM 921 H LEU A 159 -0.991 16.389 18.217 1.00 0.00 H ATOM 922 N THR A 160 0.798 19.843 17.969 1.00 18.78 N ATOM 923 CA THR A 160 0.883 20.663 16.771 1.00 22.20 C ATOM 924 C THR A 160 2.080 20.237 15.935 1.00 18.23 C ATOM 925 O THR A 160 2.971 19.515 16.412 1.00 16.98 O ATOM 926 CB THR A 160 1.036 22.149 17.104 1.00 22.36 C ATOM 927 OG1 THR A 160 2.302 22.367 17.739 1.00 23.21 O ATOM 928 CG2 THR A 160 -0.090 22.615 18.025 1.00 24.56 C ATOM 929 HG1 THR A 160 2.401 23.328 17.954 1.00 0.00 H ATOM 930 H THR A 160 1.072 20.238 18.891 1.00 0.00 H ATOM 931 N LYS A 161 2.114 20.682 14.686 1.00 17.98 N ATOM 932 CA LYS A 161 3.240 20.340 13.831 1.00 18.35 C ATOM 933 C LYS A 161 4.536 20.871 14.412 1.00 18.63 C ATOM 934 O LYS A 161 5.575 20.222 14.310 1.00 18.56 O ATOM 935 CB LYS A 161 3.031 20.863 12.411 1.00 22.13 C ATOM 936 CG LYS A 161 2.049 20.025 11.604 1.00 20.91 C ATOM 937 CD LYS A 161 1.913 20.538 10.175 1.00 19.91 C ATOM 938 CE LYS A 161 1.060 19.610 9.331 1.00 20.48 C ATOM 939 NZ LYS A 161 0.639 20.278 8.069 1.00 23.21 N ATOM 940 HZ1 LYS A 161 0.085 21.128 8.296 1.00 0.00 H ATOM 941 HZ2 LYS A 161 1.482 20.548 7.523 1.00 0.00 H ATOM 942 HZ3 LYS A 161 0.057 19.623 7.509 1.00 0.00 H ATOM 943 H LYS A 161 1.340 21.272 14.320 1.00 0.00 H ATOM 944 N SER A 162 4.479 22.048 15.027 1.00 20.62 N ATOM 945 CA SER A 162 5.673 22.627 15.622 1.00 19.04 C ATOM 946 C SER A 162 6.141 21.785 16.812 1.00 17.05 C ATOM 947 O SER A 162 7.341 21.520 16.964 1.00 18.22 O ATOM 948 CB SER A 162 5.422 24.086 16.017 1.00 22.44 C ATOM 949 OG SER A 162 6.559 24.647 16.657 1.00 25.22 O ATOM 950 HG SER A 162 7.333 24.615 16.040 1.00 0.00 H ATOM 951 H SER A 162 3.575 22.558 15.083 1.00 0.00 H ATOM 952 N GLN A 163 5.199 21.332 17.642 1.00 16.91 N ATOM 953 CA GLN A 163 5.551 20.471 18.772 1.00 16.65 C ATOM 954 C GLN A 163 6.177 19.167 18.297 1.00 15.64 C ATOM 955 O GLN A 163 7.211 18.732 18.826 1.00 16.47 O ATOM 956 CB GLN A 163 4.325 20.181 19.646 1.00 16.04 C ATOM 957 CG GLN A 163 3.877 21.384 20.464 1.00 15.65 C ATOM 958 CD GLN A 163 2.569 21.156 21.206 1.00 18.81 C ATOM 959 OE1 GLN A 163 1.674 20.457 20.718 1.00 19.65 O ATOM 960 NE2 GLN A 163 2.438 21.770 22.378 1.00 19.75 N ATOM 961 HE22 GLN A 163 3.217 22.349 22.752 1.00 0.00 H ATOM 962 HE21 GLN A 163 1.557 21.671 22.921 1.00 0.00 H ATOM 963 H GLN A 163 4.205 21.593 17.484 1.00 0.00 H ATOM 964 N MET A 164 5.555 18.546 17.303 1.00 14.67 N ATOM 965 CA MET A 164 6.087 17.290 16.806 1.00 15.12 C ATOM 966 C MET A 164 7.434 17.474 16.132 1.00 15.65 C ATOM 967 O MET A 164 8.322 16.638 16.311 1.00 16.03 O ATOM 968 CB MET A 164 5.093 16.600 15.893 1.00 16.03 C ATOM 969 CG MET A 164 3.826 16.276 16.622 1.00 18.67 C ATOM 970 SD MET A 164 2.746 15.279 15.622 1.00 17.69 S ATOM 971 CE MET A 164 3.621 13.714 15.584 1.00 21.90 C ATOM 972 H MET A 164 4.695 18.955 16.884 1.00 0.00 H ATOM 973 N LYS A 165 7.600 18.574 15.406 1.00 15.03 N ATOM 974 CA LYS A 165 8.900 18.896 14.814 1.00 15.76 C ATOM 975 C LYS A 165 9.945 19.006 15.915 1.00 15.82 C ATOM 976 O LYS A 165 11.027 18.432 15.798 1.00 16.97 O ATOM 977 CB LYS A 165 8.841 20.204 14.011 1.00 15.38 C ATOM 978 CG LYS A 165 10.184 20.661 13.422 1.00 18.81 C ATOM 979 CD LYS A 165 10.070 22.013 12.699 1.00 21.77 C ATOM 980 H LYS A 165 6.795 19.216 15.256 1.00 0.00 H ATOM 981 N ASN A 166 9.630 19.726 16.991 1.00 14.60 N ATOM 982 CA ASN A 166 10.603 19.864 18.067 1.00 14.06 C ATOM 983 C ASN A 166 10.982 18.510 18.664 1.00 15.94 C ATOM 984 O ASN A 166 12.156 18.229 18.868 1.00 17.36 O ATOM 985 CB ASN A 166 10.118 20.846 19.143 1.00 18.06 C ATOM 986 CG ASN A 166 10.363 22.291 18.756 1.00 19.89 C ATOM 987 OD1 ASN A 166 11.283 22.598 17.985 1.00 25.92 O ATOM 988 ND2 ASN A 166 9.560 23.194 19.309 1.00 24.77 N ATOM 989 HD22 ASN A 166 8.800 22.890 19.951 1.00 0.00 H ATOM 990 HD21 ASN A 166 9.691 24.204 19.100 1.00 0.00 H ATOM 991 H ASN A 166 8.699 20.185 17.062 1.00 0.00 H ATOM 992 N ILE A 167 9.998 17.652 18.901 1.00 14.75 N ATOM 993 CA ILE A 167 10.286 16.334 19.449 1.00 13.71 C ATOM 994 C ILE A 167 11.210 15.543 18.511 1.00 14.82 C ATOM 995 O ILE A 167 12.240 14.982 18.929 1.00 17.61 O ATOM 996 CB ILE A 167 8.972 15.552 19.683 1.00 13.88 C ATOM 997 CG1 ILE A 167 8.157 16.221 20.794 1.00 15.68 C ATOM 998 CG2 ILE A 167 9.273 14.113 20.034 1.00 14.76 C ATOM 999 CD1 ILE A 167 6.679 15.851 20.778 1.00 17.35 C ATOM 1000 H ILE A 167 9.015 17.922 18.694 1.00 0.00 H ATOM 1001 N LEU A 168 10.845 15.519 17.233 1.00 14.09 N ATOM 1002 CA LEU A 168 11.513 14.675 16.251 1.00 16.29 C ATOM 1003 C LEU A 168 12.917 15.138 15.886 1.00 15.57 C ATOM 1004 O LEU A 168 13.713 14.336 15.394 1.00 14.81 O ATOM 1005 CB LEU A 168 10.670 14.620 14.982 1.00 15.44 C ATOM 1006 CG LEU A 168 9.351 13.870 15.116 1.00 13.37 C ATOM 1007 CD1 LEU A 168 8.502 14.136 13.903 1.00 14.35 C ATOM 1008 CD2 LEU A 168 9.594 12.369 15.293 1.00 14.85 C ATOM 1009 H LEU A 168 10.057 16.123 16.924 1.00 0.00 H ATOM 1010 N THR A 169 13.208 16.421 16.113 1.00 14.53 N ATOM 1011 CA THR A 169 14.496 17.011 15.748 1.00 13.11 C ATOM 1012 C THR A 169 15.419 17.246 16.937 1.00 16.81 C ATOM 1013 O THR A 169 16.555 17.669 16.756 1.00 19.01 O ATOM 1014 CB THR A 169 14.318 18.359 15.009 1.00 15.02 C ATOM 1015 OG1 THR A 169 13.691 19.305 15.884 1.00 18.65 O ATOM 1016 CG2 THR A 169 13.471 18.173 13.768 1.00 18.37 C ATOM 1017 HG1 THR A 169 12.805 18.960 16.160 1.00 0.00 H ATOM 1018 H THR A 169 12.492 17.024 16.566 1.00 0.00 H ATOM 1019 N THR A 170 14.946 16.967 18.150 1.00 15.90 N ATOM 1020 CA THR A 170 15.715 17.331 19.344 1.00 18.38 C ATOM 1021 C THR A 170 16.345 16.139 20.060 1.00 17.82 C ATOM 1022 O THR A 170 17.481 16.221 20.547 1.00 25.26 O ATOM 1023 CB THR A 170 14.842 18.119 20.329 1.00 18.37 C ATOM 1024 OG1 THR A 170 14.391 19.316 19.687 1.00 19.63 O ATOM 1025 CG2 THR A 170 15.604 18.478 21.587 1.00 20.90 C ATOM 1026 HG1 THR A 170 13.863 19.079 18.884 1.00 0.00 H ATOM 1027 H THR A 170 14.028 16.489 18.251 1.00 0.00 H ATOM 1028 N TRP A 171 15.610 15.037 20.129 1.00 15.86 N ATOM 1029 CA TRP A 171 16.080 13.857 20.836 1.00 17.16 C ATOM 1030 C TRP A 171 16.190 12.676 19.888 1.00 17.70 C ATOM 1031 O TRP A 171 15.737 12.744 18.746 1.00 16.41 O ATOM 1032 CB TRP A 171 15.139 13.515 21.997 1.00 15.18 C ATOM 1033 CG TRP A 171 15.102 14.562 23.084 1.00 16.59 C ATOM 1034 CD1 TRP A 171 16.052 14.785 24.042 1.00 18.95 C ATOM 1035 CD2 TRP A 171 14.063 15.519 23.324 1.00 16.53 C ATOM 1036 NE1 TRP A 171 15.667 15.816 24.861 1.00 19.58 N ATOM 1037 CE2 TRP A 171 14.445 16.283 24.444 1.00 16.50 C ATOM 1038 CE3 TRP A 171 12.838 15.796 22.703 1.00 17.93 C ATOM 1039 CZ2 TRP A 171 13.653 17.315 24.956 1.00 20.92 C ATOM 1040 CZ3 TRP A 171 12.052 16.816 23.208 1.00 19.09 C ATOM 1041 CH2 TRP A 171 12.465 17.570 24.320 1.00 18.18 C ATOM 1042 HE1 TRP A 171 16.212 16.184 25.667 1.00 0.00 H ATOM 1043 H TRP A 171 14.678 15.017 19.668 1.00 0.00 H ATOM 1044 N GLY A 172 16.782 11.590 20.373 1.00 16.34 N ATOM 1045 CA GLY A 172 16.844 10.358 19.610 1.00 16.83 C ATOM 1046 C GLY A 172 17.733 10.458 18.385 1.00 16.57 C ATOM 1047 O GLY A 172 18.781 11.108 18.411 1.00 21.56 O ATOM 1048 H GLY A 172 17.210 11.624 21.320 1.00 0.00 H ATOM 1049 N ASP A 173 17.314 9.798 17.310 1.00 15.78 N ATOM 1050 CA ASP A 173 18.045 9.846 16.050 1.00 17.48 C ATOM 1051 C ASP A 173 17.475 10.995 15.241 1.00 16.67 C ATOM 1052 O ASP A 173 16.749 10.790 14.267 1.00 16.56 O ATOM 1053 CB ASP A 173 17.897 8.536 15.289 1.00 18.18 C ATOM 1054 CG ASP A 173 18.587 7.379 15.981 1.00 19.52 C ATOM 1055 OD1 ASP A 173 19.508 7.638 16.791 1.00 22.37 O ATOM 1056 OD2 ASP A 173 18.226 6.212 15.697 1.00 19.54 O ATOM 1057 H ASP A 173 16.443 9.233 17.369 1.00 0.00 H ATOM 1058 N ALA A 174 17.809 12.205 15.673 1.00 15.89 N ATOM 1059 CA ALA A 174 17.119 13.417 15.253 1.00 17.03 C ATOM 1060 C ALA A 174 16.996 13.568 13.746 1.00 17.22 C ATOM 1061 O ALA A 174 17.971 13.395 13.007 1.00 18.53 O ATOM 1062 CB ALA A 174 17.804 14.632 15.846 1.00 17.94 C ATOM 1063 H ALA A 174 18.600 12.292 16.342 1.00 0.00 H ATOM 1064 N LEU A 175 15.785 13.892 13.301 1.00 15.84 N ATOM 1065 CA LEU A 175 15.568 14.271 11.913 1.00 17.51 C ATOM 1066 C LEU A 175 16.082 15.689 11.720 1.00 16.75 C ATOM 1067 O LEU A 175 16.193 16.449 12.684 1.00 17.93 O ATOM 1068 CB LEU A 175 14.078 14.211 11.570 1.00 16.83 C ATOM 1069 CG LEU A 175 13.353 12.872 11.754 1.00 20.42 C ATOM 1070 CD1 LEU A 175 11.856 13.030 11.472 1.00 19.26 C ATOM 1071 CD2 LEU A 175 13.940 11.769 10.889 1.00 22.23 C ATOM 1072 H LEU A 175 14.978 13.874 13.957 1.00 0.00 H ATOM 1073 N THR A 176 16.393 16.049 10.482 1.00 17.56 N ATOM 1074 CA THR A 176 16.664 17.451 10.177 1.00 19.44 C ATOM 1075 C THR A 176 15.336 18.194 10.266 1.00 18.83 C ATOM 1076 O THR A 176 14.270 17.577 10.225 1.00 21.09 O ATOM 1077 CB THR A 176 17.249 17.660 8.776 1.00 22.50 C ATOM 1078 OG1 THR A 176 16.264 17.344 7.782 1.00 25.77 O ATOM 1079 CG2 THR A 176 18.494 16.805 8.566 1.00 22.02 C ATOM 1080 HG1 THR A 176 16.650 17.482 6.881 1.00 0.00 H ATOM 1081 H THR A 176 16.444 15.333 9.729 1.00 0.00 H ATOM 1082 N ASP A 177 15.396 19.516 10.384 1.00 20.87 N ATOM 1083 CA ASP A 177 14.176 20.308 10.419 1.00 22.21 C ATOM 1084 C ASP A 177 13.316 20.035 9.188 1.00 24.16 C ATOM 1085 O ASP A 177 12.115 19.797 9.308 1.00 23.08 O ATOM 1086 CB ASP A 177 14.497 21.799 10.496 1.00 24.70 C ATOM 1087 CG ASP A 177 14.811 22.261 11.905 1.00 32.92 C ATOM 1088 OD1 ASP A 177 14.851 21.417 12.819 1.00 33.92 O ATOM 1089 OD2 ASP A 177 15.028 23.478 12.091 1.00 36.24 O ATOM 1090 H ASP A 177 16.320 19.987 10.452 1.00 0.00 H ATOM 1091 N GLN A 178 13.947 20.038 8.018 1.00 25.42 N ATOM 1092 CA GLN A 178 13.238 19.843 6.756 1.00 25.88 C ATOM 1093 C GLN A 178 12.594 18.459 6.671 1.00 22.11 C ATOM 1094 O GLN A 178 11.460 18.327 6.219 1.00 23.46 O ATOM 1095 CB GLN A 178 14.182 20.054 5.569 1.00 31.91 C ATOM 1096 CG GLN A 178 13.635 20.988 4.504 1.00 46.09 C ATOM 1097 CD GLN A 178 12.219 20.638 4.088 1.00 42.99 C ATOM 1098 H GLN A 178 14.977 20.184 8.001 1.00 0.00 H ATOM 1099 N GLU A 179 13.317 17.431 7.108 1.00 21.17 N ATOM 1100 CA GLU A 179 12.775 16.075 7.122 1.00 23.50 C ATOM 1101 C GLU A 179 11.514 15.986 7.970 1.00 18.31 C ATOM 1102 O GLU A 179 10.522 15.388 7.557 1.00 20.85 O ATOM 1103 CB GLU A 179 13.817 15.077 7.638 1.00 22.52 C ATOM 1104 CG GLU A 179 14.881 14.734 6.604 1.00 23.33 C ATOM 1105 CD GLU A 179 16.073 14.005 7.191 1.00 28.64 C ATOM 1106 OE1 GLU A 179 16.245 14.036 8.426 1.00 22.23 O ATOM 1107 OE2 GLU A 179 16.842 13.402 6.411 1.00 33.86 O ATOM 1108 H GLU A 179 14.287 17.596 7.446 1.00 0.00 H ATOM 1109 N ALA A 180 11.549 16.586 9.155 1.00 17.22 N ATOM 1110 CA ALA A 180 10.408 16.501 10.059 1.00 17.26 C ATOM 1111 C ALA A 180 9.241 17.289 9.487 1.00 17.87 C ATOM 1112 O ALA A 180 8.112 16.809 9.488 1.00 20.18 O ATOM 1113 CB ALA A 180 10.768 17.003 11.459 1.00 17.76 C ATOM 1114 H ALA A 180 12.395 17.119 9.439 1.00 0.00 H ATOM 1115 N ILE A 181 9.518 18.495 8.996 1.00 19.91 N ATOM 1116 CA ILE A 181 8.477 19.338 8.426 1.00 23.22 C ATOM 1117 C ILE A 181 7.786 18.601 7.283 1.00 22.51 C ATOM 1118 O ILE A 181 6.554 18.551 7.211 1.00 22.42 O ATOM 1119 CB ILE A 181 9.054 20.661 7.895 1.00 28.63 C ATOM 1120 CG1 ILE A 181 9.493 21.555 9.054 1.00 36.08 C ATOM 1121 CG2 ILE A 181 8.034 21.381 7.032 1.00 29.38 C ATOM 1122 CD1 ILE A 181 10.393 22.698 8.633 1.00 38.25 C ATOM 1123 H ILE A 181 10.498 18.842 9.020 1.00 0.00 H ATOM 1124 N ASP A 182 8.585 18.016 6.397 1.00 21.73 N ATOM 1125 CA ASP A 182 8.028 17.394 5.206 1.00 25.57 C ATOM 1126 C ASP A 182 7.198 16.168 5.567 1.00 21.18 C ATOM 1127 O ASP A 182 6.144 15.935 4.979 1.00 28.70 O ATOM 1128 CB ASP A 182 9.125 17.031 4.198 1.00 30.68 C ATOM 1129 CG ASP A 182 9.741 18.250 3.524 1.00 31.44 C ATOM 1130 OD1 ASP A 182 9.213 19.374 3.675 1.00 31.51 O ATOM 1131 OD2 ASP A 182 10.762 18.074 2.828 1.00 33.91 O ATOM 1132 H ASP A 182 9.613 18.003 6.556 1.00 0.00 H ATOM 1133 N ALA A 183 7.671 15.392 6.539 1.00 20.26 N ATOM 1134 CA ALA A 183 6.941 14.206 6.966 1.00 22.09 C ATOM 1135 C ALA A 183 5.592 14.580 7.574 1.00 23.38 C ATOM 1136 O ALA A 183 4.573 13.937 7.308 1.00 21.90 O ATOM 1137 CB ALA A 183 7.768 13.393 7.950 1.00 22.71 C ATOM 1138 H ALA A 183 8.572 15.635 6.999 1.00 0.00 H ATOM 1139 N LEU A 184 5.579 15.634 8.383 1.00 18.28 N ATOM 1140 CA LEU A 184 4.339 16.054 9.029 1.00 19.61 C ATOM 1141 C LEU A 184 3.339 16.630 8.013 1.00 20.29 C ATOM 1142 O LEU A 184 2.138 16.338 8.079 1.00 23.94 O ATOM 1143 CB LEU A 184 4.625 17.035 10.168 1.00 17.11 C ATOM 1144 CG LEU A 184 5.463 16.468 11.315 1.00 18.73 C ATOM 1145 CD1 LEU A 184 6.021 17.601 12.171 1.00 20.53 C ATOM 1146 CD2 LEU A 184 4.615 15.540 12.156 1.00 22.19 C ATOM 1147 H LEU A 184 6.457 16.163 8.557 1.00 0.00 H ATOM 1148 N ASN A 185 3.830 17.429 7.065 1.00 21.12 N ATOM 1149 CA ASN A 185 2.974 17.979 6.020 1.00 24.68 C ATOM 1150 C ASN A 185 2.450 16.893 5.079 1.00 24.11 C ATOM 1151 O ASN A 185 1.360 17.017 4.523 1.00 26.97 O ATOM 1152 CB ASN A 185 3.705 19.060 5.216 1.00 25.12 C ATOM 1153 CG ASN A 185 3.843 20.371 5.974 1.00 27.79 C ATOM 1154 OD1 ASN A 185 3.053 20.680 6.865 1.00 29.36 O ATOM 1155 ND2 ASN A 185 4.851 21.154 5.610 1.00 28.46 N ATOM 1156 HD22 ASN A 185 5.495 20.853 4.851 1.00 0.00 H ATOM 1157 HD21 ASN A 185 4.996 22.068 6.084 1.00 0.00 H ATOM 1158 H ASN A 185 4.843 17.665 7.071 1.00 0.00 H ATOM 1159 N ALA A 186 3.233 15.833 4.904 1.00 25.34 N ATOM 1160 CA ALA A 186 2.827 14.729 4.042 1.00 30.29 C ATOM 1161 C ALA A 186 1.710 13.945 4.710 1.00 24.73 C ATOM 1162 O ALA A 186 0.790 13.458 4.045 1.00 34.17 O ATOM 1163 CB ALA A 186 4.008 13.825 3.739 1.00 34.18 C ATOM 1164 H ALA A 186 4.151 15.790 5.390 1.00 0.00 H ATOM 1165 N PHE A 187 1.785 13.841 6.031 1.00 25.08 N ATOM 1166 CA PHE A 187 0.769 13.133 6.795 1.00 25.68 C ATOM 1167 C PHE A 187 -0.543 13.899 6.898 1.00 26.78 C ATOM 1168 O PHE A 187 -1.617 13.313 6.771 1.00 28.85 O ATOM 1169 CB PHE A 187 1.261 12.800 8.207 1.00 23.83 C ATOM 1170 CG PHE A 187 0.185 12.231 9.089 1.00 20.80 C ATOM 1171 CD1 PHE A 187 -0.334 10.968 8.830 1.00 27.42 C ATOM 1172 CD2 PHE A 187 -0.324 12.959 10.153 1.00 22.26 C ATOM 1173 CE1 PHE A 187 -1.334 10.433 9.627 1.00 30.21 C ATOM 1174 CE2 PHE A 187 -1.330 12.433 10.955 1.00 26.51 C ATOM 1175 CZ PHE A 187 -1.833 11.169 10.694 1.00 23.57 C ATOM 1176 H PHE A 187 2.587 14.275 6.531 1.00 0.00 H ATOM 1177 N SER A 188 -0.462 15.206 7.133 1.00 27.43 N ATOM 1178 CA SER A 188 -1.660 15.979 7.441 1.00 31.17 C ATOM 1179 C SER A 188 -1.640 17.380 6.850 1.00 29.07 C ATOM 1180 O SER A 188 -0.646 18.095 6.968 1.00 28.92 O ATOM 1181 CB SER A 188 -1.828 16.081 8.957 1.00 29.98 C ATOM 1182 OG SER A 188 -2.752 17.089 9.310 1.00 32.44 O ATOM 1183 HG SER A 188 -2.836 17.127 10.296 1.00 0.00 H ATOM 1184 H SER A 188 0.463 15.680 7.097 1.00 0.00 H ATOM 1185 N SER A 189 -2.750 17.780 6.238 1.00 32.20 N ATOM 1186 CA SER A 189 -2.909 19.161 5.798 1.00 31.01 C ATOM 1187 C SER A 189 -3.158 20.078 7.000 1.00 35.10 C ATOM 1188 O SER A 189 -2.781 21.250 6.990 1.00 35.09 O ATOM 1189 CB SER A 189 -4.047 19.280 4.778 1.00 39.88 C ATOM 1190 OG SER A 189 -5.290 18.897 5.338 1.00 47.07 O ATOM 1191 HG SER A 189 -5.238 17.956 5.641 1.00 0.00 H ATOM 1192 H SER A 189 -3.517 17.098 6.070 1.00 0.00 H ATOM 1193 N GLU A 190 -3.769 19.531 8.048 1.00 34.69 N ATOM 1194 CA GLU A 190 -4.102 20.319 9.238 1.00 39.01 C ATOM 1195 C GLU A 190 -2.930 20.417 10.219 1.00 32.57 C ATOM 1196 O GLU A 190 -2.102 19.516 10.285 1.00 29.52 O ATOM 1197 CB GLU A 190 -5.318 19.719 9.944 1.00 39.10 C ATOM 1198 H GLU A 190 -4.016 18.521 8.022 1.00 0.00 H ATOM 1199 N ASP A 191 -2.882 21.500 10.992 1.00 30.82 N ATOM 1200 CA ASP A 191 -1.744 21.757 11.878 1.00 31.32 C ATOM 1201 C ASP A 191 -1.758 20.909 13.151 1.00 28.58 C ATOM 1202 O ASP A 191 -0.708 20.535 13.666 1.00 30.16 O ATOM 1203 CB ASP A 191 -1.650 23.247 12.227 1.00 39.31 C ATOM 1204 CG ASP A 191 -0.478 23.560 13.140 1.00 43.55 C ATOM 1205 OD1 ASP A 191 0.674 23.560 12.655 1.00 40.16 O ATOM 1206 OD2 ASP A 191 -0.710 23.813 14.342 1.00 40.93 O ATOM 1207 H ASP A 191 -3.670 22.178 10.966 1.00 0.00 H ATOM 1208 N ASN A 192 -2.945 20.605 13.659 1.00 25.09 N ATOM 1209 CA ASN A 192 -3.058 19.737 14.820 1.00 23.34 C ATOM 1210 C ASN A 192 -2.973 18.272 14.404 1.00 22.84 C ATOM 1211 O ASN A 192 -3.780 17.802 13.607 1.00 26.37 O ATOM 1212 CB ASN A 192 -4.368 20.016 15.564 1.00 33.41 C ATOM 1213 CG ASN A 192 -4.141 20.482 16.992 1.00 26.51 C ATOM 1214 OD1 ASN A 192 -3.003 20.694 17.414 1.00 36.16 O ATOM 1215 ND2 ASN A 192 -5.212 20.606 17.745 1.00 33.52 N ATOM 1216 HD22 ASN A 192 -6.153 20.416 17.346 1.00 0.00 H ATOM 1217 HD21 ASN A 192 -5.118 20.894 18.740 1.00 0.00 H ATOM 1218 H ASN A 192 -3.805 20.992 13.222 1.00 0.00 H ATOM 1219 N ILE A 193 -1.982 17.561 14.935 1.00 18.60 N ATOM 1220 CA ILE A 193 -1.751 16.167 14.563 1.00 20.17 C ATOM 1221 C ILE A 193 -2.256 15.195 15.619 1.00 20.49 C ATOM 1222 O ILE A 193 -1.816 15.231 16.771 1.00 18.60 O ATOM 1223 CB ILE A 193 -0.261 15.880 14.390 1.00 21.96 C ATOM 1224 CG1 ILE A 193 0.388 16.862 13.417 1.00 23.65 C ATOM 1225 CG2 ILE A 193 -0.037 14.419 13.952 1.00 21.41 C ATOM 1226 CD1 ILE A 193 -0.199 16.817 12.044 1.00 23.59 C ATOM 1227 H ILE A 193 -1.355 18.009 15.633 1.00 0.00 H ATOM 1228 N ASP A 194 -3.164 14.311 15.222 1.00 19.27 N ATOM 1229 CA ASP A 194 -3.563 13.204 16.077 1.00 18.17 C ATOM 1230 C ASP A 194 -2.389 12.227 16.060 1.00 17.56 C ATOM 1231 O ASP A 194 -2.174 11.527 15.070 1.00 18.31 O ATOM 1232 CB ASP A 194 -4.835 12.560 15.526 1.00 19.64 C ATOM 1233 CG ASP A 194 -5.359 11.443 16.405 1.00 20.59 C ATOM 1234 OD1 ASP A 194 -4.543 10.635 16.896 1.00 19.84 O ATOM 1235 OD2 ASP A 194 -6.595 11.367 16.595 1.00 27.21 O ATOM 1236 H ASP A 194 -3.598 14.412 14.282 1.00 0.00 H ATOM 1237 N TYR A 195 -1.616 12.188 17.139 1.00 15.67 N ATOM 1238 CA TYR A 195 -0.375 11.411 17.108 1.00 16.21 C ATOM 1239 C TYR A 195 -0.615 9.901 17.102 1.00 15.19 C ATOM 1240 O TYR A 195 0.235 9.137 16.638 1.00 15.80 O ATOM 1241 CB TYR A 195 0.612 11.848 18.203 1.00 14.62 C ATOM 1242 CG TYR A 195 0.061 11.846 19.601 1.00 14.86 C ATOM 1243 CD1 TYR A 195 -0.034 10.675 20.334 1.00 16.43 C ATOM 1244 CD2 TYR A 195 -0.342 13.033 20.201 1.00 15.87 C ATOM 1245 CE1 TYR A 195 -0.528 10.681 21.623 1.00 17.93 C ATOM 1246 CE2 TYR A 195 -0.836 13.056 21.484 1.00 18.19 C ATOM 1247 CZ TYR A 195 -0.928 11.878 22.197 1.00 16.76 C ATOM 1248 OH TYR A 195 -1.411 11.879 23.477 1.00 20.08 O ATOM 1249 HH TYR A 195 -1.406 10.955 23.831 1.00 0.00 H ATOM 1250 H TYR A 195 -1.890 12.705 17.999 1.00 0.00 H ATOM 1251 N LYS A 196 -1.764 9.468 17.602 1.00 16.46 N ATOM 1252 CA LYS A 196 -2.125 8.061 17.482 1.00 15.49 C ATOM 1253 C LYS A 196 -2.257 7.691 16.010 1.00 16.28 C ATOM 1254 O LYS A 196 -1.705 6.687 15.567 1.00 17.21 O ATOM 1255 CB LYS A 196 -3.415 7.751 18.235 1.00 16.33 C ATOM 1256 CG LYS A 196 -3.927 6.337 18.001 1.00 22.05 C ATOM 1257 CD LYS A 196 -4.950 5.919 19.043 1.00 26.88 C ATOM 1258 CE LYS A 196 -5.483 4.522 18.730 1.00 31.28 C ATOM 1259 NZ LYS A 196 -6.015 3.835 19.935 1.00 43.56 N ATOM 1260 HZ1 LYS A 196 -5.257 3.739 20.641 1.00 0.00 H ATOM 1261 HZ2 LYS A 196 -6.795 4.394 20.336 1.00 0.00 H ATOM 1262 HZ3 LYS A 196 -6.364 2.892 19.669 1.00 0.00 H ATOM 1263 H LYS A 196 -2.407 10.132 18.079 1.00 0.00 H ATOM 1264 N LEU A 197 -2.983 8.506 15.248 1.00 16.25 N ATOM 1265 CA LEU A 197 -3.136 8.239 13.823 1.00 20.31 C ATOM 1266 C LEU A 197 -1.789 8.326 13.110 1.00 16.22 C ATOM 1267 O LEU A 197 -1.530 7.567 12.178 1.00 18.63 O ATOM 1268 CB LEU A 197 -4.171 9.174 13.198 1.00 20.11 C ATOM 1269 CG LEU A 197 -5.586 9.029 13.756 1.00 19.98 C ATOM 1270 CD1 LEU A 197 -6.520 10.002 13.065 1.00 22.17 C ATOM 1271 CD2 LEU A 197 -6.097 7.605 13.585 1.00 24.64 C ATOM 1272 H LEU A 197 -3.443 9.337 15.671 1.00 0.00 H ATOM 1273 N PHE A 198 -0.927 9.231 13.556 1.00 14.77 N ATOM 1274 CA PHE A 198 0.372 9.383 12.931 1.00 15.74 C ATOM 1275 C PHE A 198 1.203 8.115 13.132 1.00 13.69 C ATOM 1276 O PHE A 198 1.801 7.618 12.184 1.00 15.32 O ATOM 1277 CB PHE A 198 1.080 10.618 13.496 1.00 15.01 C ATOM 1278 CG PHE A 198 2.462 10.843 12.942 1.00 13.93 C ATOM 1279 CD1 PHE A 198 2.647 11.378 11.673 1.00 15.75 C ATOM 1280 CD2 PHE A 198 3.578 10.533 13.703 1.00 12.86 C ATOM 1281 CE1 PHE A 198 3.925 11.602 11.175 1.00 17.08 C ATOM 1282 CE2 PHE A 198 4.855 10.744 13.213 1.00 14.36 C ATOM 1283 CZ PHE A 198 5.037 11.286 11.955 1.00 15.50 C ATOM 1284 H PHE A 198 -1.186 9.837 14.361 1.00 0.00 H ATOM 1285 N CYS A 199 1.238 7.595 14.357 1.00 15.17 N ATOM 1286 CA CYS A 199 1.995 6.374 14.622 1.00 16.07 C ATOM 1287 C CYS A 199 1.458 5.181 13.840 1.00 15.80 C ATOM 1288 O CYS A 199 2.229 4.361 13.332 1.00 16.75 O ATOM 1289 CB CYS A 199 1.995 6.049 16.109 1.00 16.09 C ATOM 1290 SG CYS A 199 2.919 7.226 17.095 1.00 16.96 S ATOM 1291 H CYS A 199 0.723 8.061 15.131 1.00 0.00 H ATOM 1292 N GLU A 200 0.139 5.078 13.736 1.00 15.37 N ATOM 1293 CA GLU A 200 -0.451 3.999 12.965 1.00 16.13 C ATOM 1294 C GLU A 200 -0.083 4.124 11.486 1.00 16.75 C ATOM 1295 O GLU A 200 0.122 3.122 10.812 1.00 21.88 O ATOM 1296 CB GLU A 200 -1.970 3.955 13.164 1.00 17.67 C ATOM 1297 CG GLU A 200 -2.355 3.547 14.577 1.00 21.20 C ATOM 1298 CD GLU A 200 -3.814 3.797 14.914 1.00 35.19 C ATOM 1299 OE1 GLU A 200 -4.537 4.419 14.100 1.00 28.26 O ATOM 1300 OE2 GLU A 200 -4.235 3.362 16.009 1.00 40.65 O ATOM 1301 H GLU A 200 -0.474 5.773 14.209 1.00 0.00 H ATOM 1302 N ASP A 201 0.020 5.355 10.994 1.00 17.00 N ATOM 1303 CA ASP A 201 0.358 5.592 9.593 1.00 17.23 C ATOM 1304 C ASP A 201 1.816 5.228 9.278 1.00 17.07 C ATOM 1305 O ASP A 201 2.076 4.573 8.273 1.00 19.40 O ATOM 1306 CB ASP A 201 0.070 7.049 9.202 1.00 20.08 C ATOM 1307 CG ASP A 201 0.355 7.327 7.732 1.00 24.03 C ATOM 1308 OD1 ASP A 201 -0.482 6.963 6.881 1.00 28.71 O ATOM 1309 OD2 ASP A 201 1.427 7.901 7.433 1.00 28.84 O ATOM 1310 H ASP A 201 -0.144 6.168 11.621 1.00 0.00 H ATOM 1311 N ILE A 202 2.754 5.628 10.131 1.00 17.49 N ATOM 1312 CA ILE A 202 4.167 5.376 9.836 1.00 17.05 C ATOM 1313 C ILE A 202 4.551 3.899 9.937 1.00 17.55 C ATOM 1314 O ILE A 202 5.518 3.463 9.322 1.00 19.20 O ATOM 1315 CB ILE A 202 5.121 6.233 10.705 1.00 15.30 C ATOM 1316 CG1 ILE A 202 5.039 5.822 12.171 1.00 15.10 C ATOM 1317 CG2 ILE A 202 4.817 7.701 10.507 1.00 20.72 C ATOM 1318 CD1 ILE A 202 5.922 6.663 13.086 1.00 17.36 C ATOM 1319 H ILE A 202 2.485 6.119 11.007 1.00 0.00 H ATOM 1320 N LEU A 203 3.786 3.122 10.694 1.00 17.62 N ATOM 1321 CA LEU A 203 4.083 1.698 10.832 1.00 24.87 C ATOM 1322 C LEU A 203 3.690 0.875 9.611 1.00 29.85 C ATOM 1323 O LEU A 203 4.102 -0.278 9.468 1.00 33.55 O ATOM 1324 CB LEU A 203 3.420 1.126 12.081 1.00 23.94 C ATOM 1325 CG LEU A 203 4.203 1.324 13.369 1.00 24.23 C ATOM 1326 CD1 LEU A 203 3.474 0.665 14.511 1.00 28.85 C ATOM 1327 CD2 LEU A 203 5.603 0.742 13.250 1.00 26.35 C ATOM 1328 H LEU A 203 2.969 3.530 11.192 1.00 0.00 H ATOM 1329 N GLN A 204 2.897 1.467 8.726 1.00 25.17 N ATOM 1330 CA GLN A 204 2.440 0.762 7.542 1.00 31.60 C ATOM 1331 C GLN A 204 3.428 0.841 6.378 1.00 33.51 C ATOM 1332 O GLN A 204 4.402 1.598 6.413 1.00 39.61 O ATOM 1333 CB GLN A 204 1.063 1.277 7.138 1.00 30.13 C ATOM 1334 CG GLN A 204 -0.005 0.938 8.170 1.00 34.00 C ATOM 1335 CD GLN A 204 -1.394 1.354 7.743 1.00 40.18 C ATOM 1336 OE1 GLN A 204 -1.885 0.942 6.693 1.00 35.69 O ATOM 1337 NE2 GLN A 204 -2.040 2.172 8.563 1.00 44.09 N ATOM 1338 OXT GLN A 204 3.285 0.134 5.381 1.00 40.26 O ATOM 1339 HE22 GLN A 204 -1.585 2.495 9.441 1.00 0.00 H ATOM 1340 HE21 GLN A 204 -3.002 2.491 8.328 1.00 0.00 H ATOM 1341 H GLN A 204 2.599 2.451 8.883 1.00 0.00 H TER 1342 GLN A 204 HETATM 1343 O HOH 1 -4.357 16.198 11.405 1.00 34.60 O HETATM 1344 O HOH 2 10.746 23.980 2.168 1.00 32.72 O HETATM 1345 O HOH 3 14.465 -1.395 -8.263 1.00 29.06 O HETATM 1346 O HOH 4 11.453 -2.622 18.508 1.00 35.89 O HETATM 1347 O HOH 5 -11.143 15.738 19.207 1.00 41.09 O HETATM 1348 O HOH 6 17.483 10.741 7.154 1.00 29.75 O HETATM 1349 O HOH 7 34.071 0.827 12.160 1.00 34.06 O HETATM 1350 O HOH 8 27.927 7.039 2.684 1.00 37.89 O HETATM 1351 O HOH 9 20.448 9.047 11.380 1.00 41.54 O HETATM 1352 O HOH 10 -2.986 10.059 24.629 1.00 42.33 O HETATM 1353 O HOH 11 22.085 6.106 6.686 1.00 40.10 O HETATM 1354 O HOH 12 9.998 21.294 1.392 1.00 41.65 O HETATM 1355 O HOH 13 27.047 -14.578 -0.011 1.00 37.74 O HETATM 1356 O HOH 14 13.236 -7.275 17.579 1.00 42.64 O HETATM 1357 O HOH 15 -5.966 0.877 20.071 1.00 31.84 O HETATM 1358 O HOH 16 19.193 4.022 17.518 1.00 23.07 O HETATM 1359 O HOH 17 -1.726 18.212 23.470 1.00 23.79 O HETATM 1360 O HOH 18 8.656 -7.198 11.559 1.00 38.20 O HETATM 1361 O HOH 19 2.432 19.405 24.803 1.00 26.10 O HETATM 1362 O HOH 20 27.782 2.481 -5.674 1.00 31.98 O HETATM 1363 O HOH 21 26.955 2.256 -10.529 1.00 37.21 O HETATM 1364 O HOH 22 18.633 0.677 -4.279 1.00 17.73 O HETATM 1365 O HOH 23 -4.237 13.770 12.464 1.00 31.66 O HETATM 1366 O HOH 24 14.808 3.725 8.964 1.00 16.70 O HETATM 1367 O HOH 25 6.667 20.978 11.532 1.00 28.89 O HETATM 1368 O HOH 26 20.247 11.873 13.299 1.00 29.63 O HETATM 1369 O HOH 27 17.624 6.090 3.081 1.00 22.20 O HETATM 1370 O HOH 28 11.929 -2.287 10.981 1.00 20.84 O HETATM 1371 O HOH 29 10.725 -7.939 -0.658 1.00 23.99 O HETATM 1372 O HOH 30 9.381 -3.135 12.340 1.00 25.69 O HETATM 1373 O HOH 31 12.921 -8.932 -7.878 1.00 29.39 O HETATM 1374 O HOH 32 20.417 -7.344 -10.574 1.00 27.65 O HETATM 1375 O HOH 33 8.481 10.315 25.463 1.00 23.78 O HETATM 1376 O HOH 34 16.547 5.927 11.669 1.00 19.28 O HETATM 1377 O HOH 35 19.284 6.799 11.590 1.00 24.19 O HETATM 1378 O HOH 36 16.041 0.751 16.983 1.00 22.39 O HETATM 1379 O HOH 37 27.722 4.899 4.555 1.00 28.78 O HETATM 1380 O HOH 38 34.148 -2.247 5.303 1.00 30.21 O HETATM 1381 O HOH 39 15.381 -7.586 13.783 1.00 25.24 O HETATM 1382 O HOH 40 -3.468 6.480 10.483 1.00 22.03 O HETATM 1383 O HOH 41 18.383 12.806 9.377 1.00 24.15 O HETATM 1384 O HOH 42 1.851 -2.970 16.944 1.00 33.64 O HETATM 1385 O HOH 43 4.667 10.961 7.009 1.00 35.13 O HETATM 1386 O HOH 44 18.033 20.874 10.756 1.00 29.64 O HETATM 1387 O HOH 45 29.730 -4.136 -7.374 1.00 29.54 O HETATM 1388 O HOH 46 17.539 -5.675 15.854 1.00 39.24 O HETATM 1389 O HOH 47 15.965 5.850 14.274 1.00 18.45 O HETATM 1390 O HOH 48 29.190 -12.172 0.723 1.00 23.72 O HETATM 1391 O HOH 49 -2.963 6.351 7.818 1.00 34.74 O HETATM 1392 O HOH 50 -3.849 10.780 19.406 1.00 22.89 O HETATM 1393 O HOH 51 -6.781 14.347 13.117 1.00 39.82 O HETATM 1394 O HOH 52 -0.315 21.576 5.475 1.00 23.83 O HETATM 1395 O HOH 53 31.499 -11.677 3.784 1.00 28.93 O HETATM 1396 O HOH 54 15.881 2.935 -5.942 1.00 32.61 O HETATM 1397 O HOH 55 0.319 19.484 3.648 1.00 29.51 O HETATM 1398 O HOH 56 20.583 6.185 3.661 1.00 26.62 O HETATM 1399 O HOH 57 2.680 24.158 14.320 1.00 25.10 O HETATM 1400 O HOH 58 -0.230 22.980 8.838 1.00 34.70 O HETATM 1401 O HOH 59 13.199 -9.081 14.574 1.00 25.92 O HETATM 1402 O HOH 60 27.130 1.710 -1.973 1.00 18.88 O HETATM 1403 O HOH 61 16.840 21.074 7.693 1.00 27.45 O HETATM 1404 O HOH 62 32.055 -12.085 0.136 1.00 27.56 O HETATM 1405 O HOH 63 7.095 4.131 24.905 1.00 29.20 O HETATM 1406 O HOH 64 31.617 -11.528 7.360 1.00 29.59 O HETATM 1407 O HOH 65 29.842 -9.251 -1.744 1.00 24.73 O HETATM 1408 O HOH 66 24.986 0.137 18.154 1.00 22.43 O HETATM 1409 O HOH 67 25.311 2.499 19.291 1.00 36.35 O HETATM 1410 O HOH 68 9.719 -6.259 1.213 1.00 24.20 O HETATM 1411 O HOH 69 26.717 -6.222 -7.255 1.00 31.69 O HETATM 1412 O HOH 70 9.012 -5.672 4.958 1.00 28.79 O HETATM 1413 O HOH 71 30.198 4.272 14.989 1.00 23.04 O HETATM 1414 O HOH 72 -0.798 0.672 11.719 1.00 32.38 O HETATM 1415 O HOH 73 20.965 3.350 -7.758 1.00 27.90 O HETATM 1416 O HOH 74 32.147 -2.612 -9.374 1.00 46.25 O HETATM 1417 O HOH 75 5.354 20.638 9.030 1.00 25.12 O HETATM 1418 O HOH 76 21.492 9.360 17.051 1.00 38.01 O HETATM 1419 O HOH 77 19.801 -3.924 16.600 1.00 30.05 O HETATM 1420 O HOH 78 9.138 23.726 15.768 1.00 36.93 O HETATM 1421 O HOH 79 26.894 3.995 11.471 1.00 31.21 O HETATM 1422 O HOH 80 9.178 1.125 1.887 1.00 38.41 O HETATM 1423 O HOH 81 33.517 -5.720 4.877 1.00 28.21 O HETATM 1424 O HOH 82 28.601 5.652 12.783 1.00 28.30 O HETATM 1425 O HOH 83 4.658 24.379 12.007 1.00 37.18 O HETATM 1426 O HOH 84 34.721 -10.271 0.053 1.00 35.32 O HETATM 1427 O HOH 85 17.954 -0.812 17.158 1.00 28.95 O HETATM 1428 O HOH 86 27.630 -0.872 18.523 1.00 22.83 O HETATM 1429 O HOH 87 20.023 -4.548 -9.811 1.00 25.12 O HETATM 1430 O HOH 88 10.752 -4.235 -2.040 1.00 32.87 O HETATM 1431 O HOH 89 7.353 27.074 15.750 1.00 36.61 O HETATM 1432 O HOH 90 13.022 -11.334 12.664 1.00 30.08 O HETATM 1433 O HOH 91 17.265 17.584 5.297 1.00 27.41 O HETATM 1434 O HOH 92 34.923 -1.633 15.651 1.00 30.25 O HETATM 1435 O HOH 93 26.045 2.023 -8.009 1.00 28.32 O HETATM 1436 O HOH 94 26.898 5.929 0.282 1.00 26.50 O HETATM 1437 O HOH 95 20.614 7.556 1.054 1.00 47.19 O HETATM 1438 O HOH 96 15.549 -10.840 11.569 1.00 26.57 O HETATM 1439 O HOH 97 34.066 0.845 16.929 1.00 36.68 O HETATM 1440 O HOH 98 23.958 3.692 -7.727 1.00 28.63 O HETATM 1441 O HOH 99 -7.769 6.249 16.832 1.00 33.67 O HETATM 1442 O HOH 100 -4.373 9.172 21.644 1.00 31.94 O HETATM 1443 O HOH 101 34.188 -11.380 4.240 1.00 30.85 O HETATM 1444 O HOH 102 6.712 20.409 3.317 1.00 26.05 O HETATM 1445 O HOH 103 26.082 -0.645 -8.415 1.00 28.96 O HETATM 1446 O HOH 104 5.353 -6.676 17.237 1.00 30.57 O HETATM 1447 O HOH 105 -8.320 12.778 15.309 1.00 37.80 O HETATM 1448 O HOH 106 3.268 -0.430 25.642 1.00 39.66 O HETATM 1449 O HOH 107 28.363 -13.229 -1.637 1.00 33.06 O HETATM 1450 O HOH 108 14.493 -2.199 18.603 1.00 39.14 O HETATM 1451 O HOH 109 -7.297 8.769 17.352 1.00 38.62 O HETATM 1452 O HOH 110 23.009 7.738 9.305 1.00 37.55 O HETATM 1453 O HOH 111 24.481 -1.678 20.150 1.00 34.21 O HETATM 1454 O HOH 112 9.959 -5.668 9.840 1.00 38.88 O HETATM 1455 O HOH 113 26.459 -4.259 -9.413 1.00 33.54 O HETATM 1456 O HOH 114 20.788 6.732 -1.657 1.00 39.02 O HETATM 1457 O HOH 115 27.613 4.973 8.971 1.00 38.30 O HETATM 1458 O HOH 116 22.045 -3.177 -11.292 1.00 32.10 O HETATM 1459 O HOH 117 7.192 -5.046 12.635 1.00 35.49 O HETATM 1460 O HOH 118 19.439 -15.475 14.655 1.00 26.26 O HETATM 1461 O HOH 119 20.490 -15.709 12.143 1.00 38.01 O HETATM 1462 O HOH 120 7.074 -17.389 6.275 1.00 32.99 O HETATM 1463 O HOH 121 19.937 -9.637 -9.385 1.00 35.26 O HETATM 1464 O HOH 122 6.265 -5.637 15.334 1.00 37.22 O HETATM 1465 O HOH 123 3.416 -7.106 15.518 1.00 27.90 O HETATM 1466 O HOH 124 8.092 -0.586 19.995 1.00 30.43 O HETATM 1467 O HOH 125 -0.772 3.278 23.273 1.00 37.27 O HETATM 1468 O HOH 126 -3.648 0.182 19.700 1.00 33.71 O HETATM 1469 O HOH 127 0.105 22.253 24.270 1.00 29.13 O HETATM 1470 O HOH 128 0.257 19.363 24.233 1.00 42.78 O HETATM 1471 O HOH 129 3.284 24.717 19.132 1.00 30.54 O HETATM 1472 O HOH 130 -4.863 15.702 6.074 1.00 42.07 O HETATM 1473 O HOH 131 -1.575 17.832 2.188 1.00 49.88 O HETATM 1474 O HOH 132 -3.716 18.298 0.917 1.00 35.74 O HETATM 1475 O HOH 133 10.971 13.582 6.001 1.00 39.79 O HETATM 1476 O HOH 134 21.482 5.823 21.624 1.00 40.81 O HETATM 1477 O HOH 135 10.251 -11.755 10.857 1.00 40.98 O HETATM 1478 O HOH 136 36.079 -0.660 1.995 1.00 45.80 O HETATM 1479 O HOH 137 8.749 -2.386 9.122 1.00 41.32 O HETATM 1480 O HOH 138 21.053 5.872 18.706 1.00 29.51 O HETATM 1481 O HOH 139 -4.973 0.539 23.369 1.00 46.13 O HETATM 1482 O HOH 140 -2.520 4.951 24.345 1.00 34.85 O HETATM 1483 O HOH 141 -2.675 7.722 25.146 1.00 45.61 O HETATM 1484 O HOH 142 6.825 23.635 12.062 1.00 45.17 O HETATM 1485 O HOH 143 17.861 18.236 13.933 1.00 34.72 O HETATM 1486 O HOH 144 19.367 18.331 19.950 1.00 45.05 O HETATM 1487 O HOH 145 19.750 13.974 19.845 1.00 44.82 O HETATM 1488 O HOH 146 12.366 -5.083 17.835 1.00 34.61 O HETATM 1489 O HOH 147 24.488 5.677 12.251 1.00 30.36 O HETATM 1490 O HOH 148 -2.306 20.913 19.964 1.00 36.99 O HETATM 1491 O HOH 149 11.003 3.630 25.005 1.00 24.53 O HETATM 1492 O HOH 150 9.517 1.091 21.022 1.00 31.11 O HETATM 1493 O HOH 151 15.188 1.993 19.309 1.00 22.19 O HETATM 1494 O HOH 152 6.851 -1.211 6.857 1.00 29.19 O HETATM 1495 O HOH 153 11.848 -0.079 21.361 1.00 35.57 O HETATM 1496 O HOH 154 14.347 -0.274 20.721 1.00 28.19 O HETATM 1497 C ACE A 155 13.310 11.754 26.530 1.00 0.18 C HETATM 1498 O ACE A 155 14.311 11.402 27.133 1.00 -0.40 O HETATM 1499 CH3 ACE A 155 13.419 12.665 25.331 1.00 0.03 C HETATM 1500 H ACE A 155 12.414 12.865 24.930 1.00 0.05 H HETATM 1501 H ACE A 155 14.033 12.181 24.557 1.00 0.05 H HETATM 1502 H ACE A 155 13.889 13.613 25.632 1.00 0.05 H HETATM 1503 N ACE A 155 12.085 11.370 26.875 1.00 -0.27 N HETATM 1504 CA ACE A 155 11.850 10.490 28.012 1.00 0.13 C HETATM 1505 C ACE A 155 11.941 9.023 27.603 1.00 0.20 C HETATM 1506 O ACE A 155 12.640 8.234 28.238 1.00 -0.39 O HETATM 1507 N ACE A 155 11.230 8.665 26.539 1.00 -0.26 N HETATM 1508 CA ACE A 155 11.230 7.294 26.043 1.00 0.15 C HETATM 1509 C ACE A 155 11.967 7.161 24.715 1.00 0.21 C HETATM 1510 O ACE A 155 11.347 7.038 23.659 1.00 -0.39 O HETATM 1511 N ACE A 155 13.364 7.296 24.912 1.00 -0.26 N HETATM 1512 CA ACE A 155 14.263 7.450 23.771 1.00 0.13 C HETATM 1513 C ACE A 155 14.235 6.291 22.762 1.00 0.21 C HETATM 1514 O ACE A 155 14.156 6.538 21.559 1.00 -0.39 O HETATM 1515 N ACE A 155 14.313 5.030 23.237 1.00 -0.25 N HETATM 1516 CA ACE A 155 14.276 3.960 22.234 1.00 0.13 C HETATM 1517 C ACE A 155 13.007 4.004 21.377 1.00 0.20 C HETATM 1518 O ACE A 155 13.071 3.751 20.167 1.00 -0.39 O HETATM 1519 N ACE A 155 11.870 4.343 21.977 1.00 -0.26 N HETATM 1520 CA ACE A 155 10.629 4.407 21.220 1.00 0.15 C HETATM 1521 C ACE A 155 10.649 5.575 20.237 1.00 0.21 C HETATM 1522 O ACE A 155 10.145 5.463 19.119 1.00 -0.39 O HETATM 1523 N ACE A 155 11.235 6.692 20.641 1.00 -0.26 N HETATM 1524 CA ACE A 155 11.367 7.813 19.717 1.00 0.13 C HETATM 1525 C ACE A 155 12.234 7.421 18.532 1.00 0.20 C HETATM 1526 O ACE A 155 11.927 7.770 17.388 1.00 -0.39 O HETATM 1527 N ACE A 155 13.307 6.690 18.800 1.00 -0.26 N HETATM 1528 CA ACE A 155 14.159 6.192 17.717 1.00 0.13 C HETATM 1529 C ACE A 155 13.390 5.280 16.759 1.00 0.20 C HETATM 1530 O ACE A 155 13.612 5.315 15.543 1.00 -0.39 O HETATM 1531 N ACE A 155 12.469 4.473 17.278 1.00 -0.26 N HETATM 1532 CA ACE A 155 11.664 3.651 16.383 1.00 0.13 C HETATM 1533 C ACE A 155 10.733 4.532 15.541 1.00 0.20 C HETATM 1534 O ACE A 155 10.548 4.265 14.345 1.00 -0.39 O HETATM 1535 N ACE A 155 10.143 5.566 16.147 1.00 -0.26 N HETATM 1536 CA ACE A 155 9.318 6.510 15.380 1.00 0.13 C HETATM 1537 C ACE A 155 10.130 7.143 14.249 1.00 0.20 C HETATM 1538 O ACE A 155 9.698 7.159 13.092 1.00 -0.39 O HETATM 1539 N ACE A 155 11.316 7.645 14.577 1.00 -0.26 N HETATM 1540 CA ACE A 155 12.150 8.282 13.576 1.00 0.13 C HETATM 1541 C ACE A 155 12.560 7.294 12.496 1.00 0.20 C HETATM 1542 O ACE A 155 12.630 7.662 11.328 1.00 -0.39 O HETATM 1543 N ACE A 155 12.824 6.048 12.883 1.00 -0.26 N HETATM 1544 CA ACE A 155 13.200 5.029 11.910 1.00 0.13 C HETATM 1545 C ACE A 155 12.073 4.789 10.921 1.00 0.20 C HETATM 1546 O ACE A 155 12.313 4.662 9.725 1.00 -0.39 O HETATM 1547 N ACE A 155 10.844 4.692 11.412 1.00 -0.26 N HETATM 1548 CA ACE A 155 9.725 4.469 10.500 1.00 0.14 C HETATM 1549 C ACE A 155 9.430 5.679 9.628 1.00 0.21 C HETATM 1550 O ACE A 155 9.008 5.530 8.489 1.00 -0.39 O HETATM 1551 N ACE A 155 9.682 6.877 10.147 1.00 -0.26 N HETATM 1552 CA ACE A 155 9.542 8.069 9.325 1.00 0.13 C HETATM 1553 C ACE A 155 10.537 8.020 8.167 1.00 0.20 C HETATM 1554 O ACE A 155 10.167 8.264 7.025 1.00 -0.39 O HETATM 1555 N ACE A 155 11.793 7.684 8.452 1.00 -0.26 N HETATM 1556 CA ACE A 155 12.795 7.583 7.398 1.00 0.13 C HETATM 1557 C ACE A 155 12.416 6.505 6.374 1.00 0.20 C HETATM 1558 O ACE A 155 12.641 6.671 5.174 1.00 -0.39 O HETATM 1559 N ACE A 155 11.832 5.408 6.851 1.00 -0.26 N HETATM 1560 CA ACE A 155 11.329 4.363 5.967 1.00 0.13 C HETATM 1561 C ACE A 155 10.230 4.904 5.050 1.00 0.20 C HETATM 1562 O ACE A 155 10.256 4.672 3.839 1.00 -0.39 O HETATM 1563 N ACE A 155 9.264 5.613 5.624 1.00 -0.26 N HETATM 1564 CA ACE A 155 8.162 6.167 4.842 1.00 0.13 C HETATM 1565 C ACE A 155 8.679 7.119 3.767 1.00 0.20 C HETATM 1566 O ACE A 155 8.195 7.122 2.636 1.00 -0.39 O HETATM 1567 N ACE A 155 9.668 7.924 4.138 1.00 -0.26 N HETATM 1568 CA ACE A 155 10.285 8.894 3.228 1.00 0.13 C HETATM 1569 C ACE A 155 10.842 8.261 1.965 1.00 0.20 C HETATM 1570 O ACE A 155 10.859 8.889 0.907 1.00 -0.39 O HETATM 1571 N ACE A 155 11.319 7.025 2.086 1.00 -0.27 N HETATM 1572 CA ACE A 155 11.928 6.310 0.972 1.00 0.12 C HETATM 1573 C ACE A 155 10.868 5.629 0.114 1.00 0.22 C HETATM 1574 O ACE A 155 9.978 4.955 0.637 1.00 -0.41 O HETATM 1575 O1 ACE A 155 10.902 5.756 -1.139 1.00 -0.41 O HETATM 1576 CB ACE A 155 12.932 5.253 1.475 1.00 -0.01 C HETATM 1577 CG1 ACE A 155 13.314 4.298 0.359 1.00 -0.06 C HETATM 1578 H ACE A 155 14.029 3.555 0.741 1.00 0.02 H HETATM 1579 H ACE A 155 13.776 4.862 -0.464 1.00 0.02 H HETATM 1580 H ACE A 155 12.413 3.785 -0.009 1.00 0.02 H HETATM 1581 CG2 ACE A 155 14.167 5.929 2.052 1.00 -0.06 C HETATM 1582 H ACE A 155 13.867 6.615 2.858 1.00 0.02 H HETATM 1583 H ACE A 155 14.679 6.495 1.260 1.00 0.02 H HETATM 1584 H ACE A 155 14.848 5.165 2.456 1.00 0.02 H HETATM 1585 H ACE A 155 12.450 4.672 2.275 1.00 0.03 H HETATM 1586 H ACE A 155 12.468 7.038 0.349 1.00 0.08 H HETATM 1587 H ACE A 155 11.257 6.570 2.974 1.00 0.19 H HETATM 1588 CB ACE A 155 11.436 9.625 3.923 1.00 -0.00 C HETATM 1589 CG ACE A 155 11.020 10.780 4.795 1.00 -0.00 C HETATM 1590 SD ACE A 155 12.242 11.152 6.082 1.00 -0.16 S HETATM 1591 CE ACE A 155 13.782 11.067 5.173 1.00 -0.02 C HETATM 1592 H ACE A 155 14.621 11.278 5.853 1.00 0.03 H HETATM 1593 H ACE A 155 13.771 11.811 4.362 1.00 0.03 H HETATM 1594 H ACE A 155 13.900 10.060 4.745 1.00 0.03 H HETATM 1595 H ACE A 155 10.063 10.531 5.278 1.00 0.04 H HETATM 1596 H ACE A 155 10.891 11.671 4.163 1.00 0.04 H HETATM 1597 H ACE A 155 12.114 10.010 3.147 1.00 0.03 H HETATM 1598 H ACE A 155 11.972 8.899 4.551 1.00 0.03 H HETATM 1599 H ACE A 155 9.516 9.626 2.942 1.00 0.08 H HETATM 1600 H ACE A 155 10.006 7.866 5.077 1.00 0.19 H HETATM 1601 CB ACE A 155 7.169 6.891 5.753 1.00 -0.01 C HETATM 1602 CG ACE A 155 6.309 5.963 6.596 1.00 -0.04 C HETATM 1603 CD ACE A 155 5.384 5.127 5.726 1.00 -0.01 C HETATM 1604 CE ACE A 155 4.044 5.816 5.524 1.00 -0.04 C HETATM 1605 NZ ACE A 155 2.923 4.839 5.453 1.00 0.22 N HETATM 1606 H ACE A 155 2.055 5.333 5.319 1.00 0.20 H HETATM 1607 H ACE A 155 2.881 4.313 6.312 1.00 0.20 H HETATM 1608 H ACE A 155 3.074 4.210 4.680 1.00 0.20 H HETATM 1609 H ACE A 155 4.077 6.389 4.585 1.00 0.08 H HETATM 1610 H ACE A 155 3.866 6.501 6.366 1.00 0.08 H HETATM 1611 H ACE A 155 5.217 4.154 6.212 1.00 0.03 H HETATM 1612 H ACE A 155 5.858 4.971 4.746 1.00 0.03 H HETATM 1613 H ACE A 155 5.703 6.566 7.288 1.00 0.03 H HETATM 1614 H ACE A 155 6.963 5.292 7.172 1.00 0.03 H HETATM 1615 H ACE A 155 6.504 7.501 5.124 1.00 0.03 H HETATM 1616 H ACE A 155 7.736 7.546 6.430 1.00 0.03 H HETATM 1617 H ACE A 155 7.638 5.336 4.347 1.00 0.08 H HETATM 1618 H ACE A 155 9.292 5.770 6.611 1.00 0.19 H HETATM 1619 CB ACE A 155 10.795 3.193 6.800 1.00 -0.01 C HETATM 1620 CG ACE A 155 10.160 2.077 5.995 1.00 -0.04 C HETATM 1621 CD ACE A 155 9.200 1.283 6.865 1.00 -0.01 C HETATM 1622 CE ACE A 155 7.971 2.135 7.204 1.00 -0.04 C HETATM 1623 NZ ACE A 155 7.039 1.398 8.085 1.00 0.22 N HETATM 1624 H ACE A 155 6.242 1.979 8.292 1.00 0.20 H HETATM 1625 H ACE A 155 7.509 1.155 8.943 1.00 0.20 H HETATM 1626 H ACE A 155 6.731 0.558 7.621 1.00 0.20 H HETATM 1627 H ACE A 155 7.450 2.401 6.272 1.00 0.08 H HETATM 1628 H ACE A 155 8.299 3.052 7.715 1.00 0.08 H HETATM 1629 H ACE A 155 9.709 0.991 7.796 1.00 0.03 H HETATM 1630 H ACE A 155 8.879 0.381 6.324 1.00 0.03 H HETATM 1631 H ACE A 155 10.947 1.407 5.618 1.00 0.03 H HETATM 1632 H ACE A 155 9.609 2.509 5.147 1.00 0.03 H HETATM 1633 H ACE A 155 10.039 3.586 7.496 1.00 0.03 H HETATM 1634 H ACE A 155 11.634 2.768 7.371 1.00 0.03 H HETATM 1635 H ACE A 155 12.159 4.002 5.342 1.00 0.08 H HETATM 1636 H ACE A 155 11.736 5.298 7.840 1.00 0.19 H HETATM 1637 CB ACE A 155 14.181 7.323 7.989 1.00 -0.01 C HETATM 1638 CG ACE A 155 14.769 8.533 8.706 1.00 -0.02 C HETATM 1639 CD ACE A 155 16.205 8.284 9.136 1.00 0.06 C HETATM 1640 NE ACE A 155 16.803 9.509 9.660 1.00 -0.27 N HETATM 1641 CZ ACE A 155 16.815 9.837 10.947 1.00 0.29 C HETATM 1642 NH1 ACE A 155 16.286 9.020 11.853 1.00 -0.28 N HETATM 1643 H ACE A 155 16.298 9.279 12.850 1.00 0.26 H HETATM 1644 H ACE A 155 15.864 8.128 11.558 1.00 0.26 H HETATM 1645 NH2 ACE A 155 17.366 10.981 11.329 1.00 -0.28 N HETATM 1646 H ACE A 155 17.776 11.614 10.628 1.00 0.26 H HETATM 1647 H ACE A 155 17.384 11.236 12.327 1.00 0.26 H HETATM 1648 H ACE A 155 17.242 10.158 8.991 1.00 0.26 H HETATM 1649 H ACE A 155 16.788 7.939 8.269 1.00 0.07 H HETATM 1650 H ACE A 155 16.220 7.511 9.918 1.00 0.07 H HETATM 1651 H ACE A 155 14.162 8.750 9.597 1.00 0.03 H HETATM 1652 H ACE A 155 14.745 9.398 8.026 1.00 0.03 H HETATM 1653 H ACE A 155 14.860 7.037 7.173 1.00 0.03 H HETATM 1654 H ACE A 155 14.104 6.495 8.709 1.00 0.03 H HETATM 1655 H ACE A 155 12.829 8.548 6.872 1.00 0.08 H HETATM 1656 H ACE A 155 12.052 7.499 9.400 1.00 0.19 H HETATM 1657 CB ACE A 155 9.713 9.365 10.138 1.00 -0.00 C HETATM 1658 CG1 ACE A 155 8.550 9.508 11.120 1.00 -0.05 C HETATM 1659 CD1 ACE A 155 8.702 10.686 12.072 1.00 -0.06 C HETATM 1660 H ACE A 155 7.834 10.727 12.746 1.00 0.02 H HETATM 1661 H ACE A 155 8.762 11.620 11.493 1.00 0.02 H HETATM 1662 H ACE A 155 9.620 10.562 12.665 1.00 0.02 H HETATM 1663 H ACE A 155 8.481 8.586 11.715 1.00 0.03 H HETATM 1664 H ACE A 155 7.622 9.643 10.544 1.00 0.03 H HETATM 1665 CG2 ACE A 155 9.790 10.582 9.196 1.00 -0.06 C HETATM 1666 H ACE A 155 10.633 10.455 8.501 1.00 0.02 H HETATM 1667 H ACE A 155 9.939 11.496 9.789 1.00 0.02 H HETATM 1668 H ACE A 155 8.853 10.664 8.625 1.00 0.02 H HETATM 1669 H ACE A 155 10.651 9.305 10.709 1.00 0.03 H HETATM 1670 H ACE A 155 8.526 8.071 8.904 1.00 0.08 H HETATM 1671 H ACE A 155 9.968 6.958 11.102 1.00 0.19 H HETATM 1672 CB ACE A 155 8.492 3.972 11.246 1.00 0.01 C HETATM 1673 CG ACE A 155 8.599 2.531 11.640 1.00 -0.00 C HETATM 1674 ND1 ACE A 155 8.337 1.505 10.758 1.00 -0.33 N HETATM 1675 CE1 ACE A 155 8.532 0.350 11.363 1.00 0.09 C HETATM 1676 NE2 ACE A 155 8.934 0.588 12.600 1.00 -0.28 N HETATM 1677 CD2 ACE A 155 8.989 1.948 12.793 1.00 0.03 C HETATM 1678 H ACE A 155 9.291 2.459 13.706 1.00 0.07 H HETATM 1679 H ACE A 155 9.168 -0.128 13.303 1.00 0.24 H HETATM 1680 H ACE A 155 8.387 -0.634 10.919 1.00 0.12 H HETATM 1681 H ACE A 155 7.613 4.095 10.596 1.00 0.04 H HETATM 1682 H ACE A 155 8.363 4.577 12.155 1.00 0.04 H HETATM 1683 H ACE A 155 10.029 3.661 9.819 1.00 0.08 H HETATM 1684 H ACE A 155 10.686 4.771 12.396 1.00 0.19 H HETATM 1685 CB ACE A 155 13.587 3.725 12.604 1.00 -0.02 C HETATM 1686 H ACE A 155 13.865 2.976 11.848 1.00 0.03 H HETATM 1687 H ACE A 155 12.733 3.354 13.190 1.00 0.03 H HETATM 1688 H ACE A 155 14.441 3.905 13.273 1.00 0.03 H HETATM 1689 H ACE A 155 14.075 5.394 11.353 1.00 0.08 H HETATM 1690 H ACE A 155 12.764 5.808 13.852 1.00 0.19 H HETATM 1691 CB ACE A 155 13.366 8.914 14.253 1.00 0.00 C HETATM 1692 CG ACE A 155 12.988 10.107 15.116 1.00 0.04 C HETATM 1693 CD ACE A 155 13.997 10.385 16.212 1.00 0.17 C HETATM 1694 OE1 ACE A 155 14.612 9.461 16.756 1.00 -0.40 O HETATM 1695 NE2 ACE A 155 14.161 11.655 16.554 1.00 -0.30 N HETATM 1696 H ACE A 155 14.813 11.899 17.271 1.00 0.18 H HETATM 1697 H ACE A 155 13.632 12.369 16.095 1.00 0.18 H HETATM 1698 H ACE A 155 12.011 9.909 15.581 1.00 0.05 H HETATM 1699 H ACE A 155 12.915 10.996 14.473 1.00 0.05 H HETATM 1700 H ACE A 155 14.070 9.248 13.476 1.00 0.03 H HETATM 1701 H ACE A 155 13.851 8.158 14.887 1.00 0.03 H HETATM 1702 H ACE A 155 11.567 9.083 13.098 1.00 0.08 H HETATM 1703 H ACE A 155 11.636 7.583 15.522 1.00 0.19 H HETATM 1704 CB ACE A 155 8.697 7.614 16.266 1.00 -0.01 C HETATM 1705 CG1 ACE A 155 8.158 8.757 15.411 1.00 -0.06 C HETATM 1706 H ACE A 155 7.722 9.528 16.063 1.00 0.02 H HETATM 1707 H ACE A 155 7.384 8.372 14.730 1.00 0.02 H HETATM 1708 H ACE A 155 8.979 9.194 14.824 1.00 0.02 H HETATM 1709 CG2 ACE A 155 7.585 7.018 17.127 1.00 -0.06 C HETATM 1710 H ACE A 155 7.992 6.197 17.735 1.00 0.02 H HETATM 1711 H ACE A 155 6.786 6.632 16.478 1.00 0.02 H HETATM 1712 H ACE A 155 7.176 7.796 17.788 1.00 0.02 H HETATM 1713 H ACE A 155 9.479 8.014 16.928 1.00 0.03 H HETATM 1714 H ACE A 155 8.493 5.939 14.930 1.00 0.08 H HETATM 1715 H ACE A 155 10.264 5.699 17.131 1.00 0.19 H HETATM 1716 CB ACE A 155 10.859 2.598 17.153 1.00 -0.01 C HETATM 1717 CG ACE A 155 11.695 1.603 17.983 1.00 -0.02 C HETATM 1718 CD ACE A 155 12.800 0.901 17.187 1.00 0.06 C HETATM 1719 NE ACE A 155 12.258 0.303 15.971 1.00 -0.27 N HETATM 1720 CZ ACE A 155 12.871 0.324 14.793 1.00 0.29 C HETATM 1721 NH1 ACE A 155 14.069 0.882 14.672 1.00 -0.28 N HETATM 1722 H ACE A 155 14.540 0.896 13.756 1.00 0.26 H HETATM 1723 H ACE A 155 14.527 1.301 15.494 1.00 0.26 H HETATM 1724 NH2 ACE A 155 12.278 -0.209 13.743 1.00 -0.28 N HETATM 1725 H ACE A 155 11.348 -0.641 13.841 1.00 0.26 H HETATM 1726 H ACE A 155 12.745 -0.193 12.825 1.00 0.26 H HETATM 1727 H ACE A 155 11.342 -0.165 16.030 1.00 0.26 H HETATM 1728 H ACE A 155 13.248 0.112 17.809 1.00 0.07 H HETATM 1729 H ACE A 155 13.572 1.636 16.915 1.00 0.07 H HETATM 1730 H ACE A 155 11.018 0.835 18.387 1.00 0.03 H HETATM 1731 H ACE A 155 12.163 2.152 18.813 1.00 0.03 H HETATM 1732 H ACE A 155 10.270 2.021 16.424 1.00 0.03 H HETATM 1733 H ACE A 155 10.179 3.125 17.839 1.00 0.03 H HETATM 1734 H ACE A 155 12.347 3.123 15.701 1.00 0.08 H HETATM 1735 H ACE A 155 12.331 4.431 18.267 1.00 0.19 H HETATM 1736 CB ACE A 155 15.427 5.532 18.273 1.00 -0.01 C HETATM 1737 CG ACE A 155 16.336 6.563 18.940 1.00 -0.04 C HETATM 1738 CD ACE A 155 17.444 5.919 19.779 1.00 -0.04 C HETATM 1739 CE ACE A 155 18.446 6.967 20.269 1.00 -0.10 C HETATM 1740 CE ACE A 155 18.422 7.446 21.510 1.00 -0.10 C HETATM 1741 CD ACE A 155 17.398 6.983 22.527 1.00 -0.04 C HETATM 1742 CG ACE A 155 16.648 8.170 23.121 1.00 -0.04 C HETATM 1743 CB ACE A 155 15.694 7.756 24.237 1.00 -0.01 C HETATM 1744 H ACE A 155 16.099 6.854 24.718 1.00 0.03 H HETATM 1745 H ACE A 155 15.649 8.574 24.971 1.00 0.03 H HETATM 1746 H ACE A 155 17.380 8.882 23.529 1.00 0.03 H HETATM 1747 H ACE A 155 16.068 8.656 22.323 1.00 0.03 H HETATM 1748 H ACE A 155 16.679 6.312 22.034 1.00 0.04 H HETATM 1749 H ACE A 155 17.912 6.441 23.334 1.00 0.04 H HETATM 1750 H ACE A 155 19.159 8.192 21.803 1.00 0.04 H HETATM 1751 H ACE A 155 19.204 7.333 19.578 1.00 0.04 H HETATM 1752 H ACE A 155 17.974 5.176 19.165 1.00 0.04 H HETATM 1753 H ACE A 155 16.992 5.420 20.649 1.00 0.04 H HETATM 1754 H ACE A 155 15.724 7.200 19.595 1.00 0.03 H HETATM 1755 H ACE A 155 16.801 7.181 18.158 1.00 0.03 H HETATM 1756 H ACE A 155 15.973 5.052 17.448 1.00 0.03 H HETATM 1757 H ACE A 155 15.141 4.772 19.015 1.00 0.03 H HETATM 1758 H ACE A 155 14.483 7.066 17.132 1.00 0.08 H HETATM 1759 H ACE A 155 13.537 6.477 19.750 1.00 0.19 H HETATM 1760 CB ACE A 155 11.926 9.043 20.426 1.00 -0.01 C HETATM 1761 CG ACE A 155 12.255 10.250 19.548 1.00 -0.04 C HETATM 1762 CD1 ACE A 155 11.015 10.748 18.809 1.00 -0.06 C HETATM 1763 H ACE A 155 11.282 11.615 18.187 1.00 0.02 H HETATM 1764 H ACE A 155 10.247 11.043 19.539 1.00 0.02 H HETATM 1765 H ACE A 155 10.622 9.944 18.169 1.00 0.02 H HETATM 1766 CD2 ACE A 155 12.832 11.344 20.404 1.00 -0.06 C HETATM 1767 H ACE A 155 13.723 10.968 20.928 1.00 0.02 H HETATM 1768 H ACE A 155 12.082 11.667 21.141 1.00 0.02 H HETATM 1769 H ACE A 155 13.113 12.197 19.769 1.00 0.02 H HETATM 1770 H ACE A 155 13.006 9.949 18.803 1.00 0.03 H HETATM 1771 H ACE A 155 12.851 8.741 20.938 1.00 0.03 H HETATM 1772 H ACE A 155 11.183 9.365 21.171 1.00 0.03 H HETATM 1773 H ACE A 155 10.365 8.065 19.339 1.00 0.08 H HETATM 1774 H ACE A 155 11.585 6.766 21.575 1.00 0.19 H HETATM 1775 CB ACE A 155 9.420 4.502 22.142 1.00 0.08 C HETATM 1776 OG ACE A 155 9.170 3.264 22.783 1.00 -0.39 O HETATM 1777 H ACE A 155 9.002 2.598 22.127 1.00 0.21 H HETATM 1778 H ACE A 155 8.537 4.785 21.549 1.00 0.06 H HETATM 1779 H ACE A 155 9.610 5.270 22.906 1.00 0.06 H HETATM 1780 H ACE A 155 10.540 3.477 20.640 1.00 0.08 H HETATM 1781 H ACE A 155 11.868 4.555 22.954 1.00 0.19 H HETATM 1782 CB ACE A 155 14.320 2.685 23.088 1.00 -0.01 C HETATM 1783 CG ACE A 155 15.032 3.103 24.337 1.00 -0.03 C HETATM 1784 CD ACE A 155 14.529 4.496 24.596 1.00 0.04 C HETATM 1785 H ACE A 155 13.589 4.477 25.167 1.00 0.05 H HETATM 1786 H ACE A 155 15.277 5.091 25.140 1.00 0.05 H HETATM 1787 H ACE A 155 16.121 3.103 24.184 1.00 0.03 H HETATM 1788 H ACE A 155 14.779 2.435 25.173 1.00 0.03 H HETATM 1789 H ACE A 155 14.875 1.888 22.571 1.00 0.03 H HETATM 1790 H ACE A 155 13.303 2.334 23.318 1.00 0.03 H HETATM 1791 H ACE A 155 15.154 4.019 21.575 1.00 0.08 H HETATM 1792 H ACE A 155 13.911 8.337 23.223 1.00 0.08 H HETATM 1793 H ACE A 155 13.737 7.286 25.840 1.00 0.19 H HETATM 1794 CB ACE A 155 9.797 6.776 25.903 1.00 0.08 C HETATM 1795 CG ACE A 155 8.955 7.050 27.134 1.00 0.18 C HETATM 1796 OD1 ACE A 155 8.137 7.970 27.148 1.00 -0.40 O HETATM 1797 ND2 ACE A 155 9.153 6.251 28.176 1.00 -0.30 N HETATM 1798 H ACE A 155 8.626 6.384 29.015 1.00 0.18 H HETATM 1799 H ACE A 155 9.829 5.516 28.121 1.00 0.18 H HETATM 1800 H ACE A 155 9.830 5.690 25.733 1.00 0.06 H HETATM 1801 H ACE A 155 9.327 7.268 25.038 1.00 0.06 H HETATM 1802 H ACE A 155 11.751 6.669 26.783 1.00 0.08 H HETATM 1803 H ACE A 155 10.681 9.354 26.066 1.00 0.19 H HETATM 1804 CB ACE A 155 10.483 10.777 28.639 1.00 -0.01 C HETATM 1805 CG ACE A 155 9.925 9.628 29.463 1.00 -0.04 C HETATM 1806 CD ACE A 155 10.142 9.859 30.949 1.00 -0.01 C HETATM 1807 CE ACE A 155 9.289 8.918 31.784 1.00 -0.04 C HETATM 1808 NZ ACE A 155 9.387 9.223 33.239 1.00 0.22 N HETATM 1809 H ACE A 155 8.809 8.579 33.757 1.00 0.20 H HETATM 1810 H ACE A 155 9.073 10.166 33.407 1.00 0.20 H HETATM 1811 H ACE A 155 10.345 9.130 33.538 1.00 0.20 H HETATM 1812 H ACE A 155 9.628 7.885 31.614 1.00 0.08 H HETATM 1813 H ACE A 155 8.239 9.016 31.470 1.00 0.08 H HETATM 1814 H ACE A 155 9.874 10.898 31.193 1.00 0.03 H HETATM 1815 H ACE A 155 11.202 9.688 31.187 1.00 0.03 H HETATM 1816 H ACE A 155 10.430 8.697 29.168 1.00 0.03 H HETATM 1817 H ACE A 155 8.846 9.538 29.268 1.00 0.03 H HETATM 1818 H ACE A 155 9.772 10.999 27.830 1.00 0.03 H HETATM 1819 H ACE A 155 10.581 11.656 29.293 1.00 0.03 H HETATM 1820 H ACE A 155 12.627 10.687 28.766 1.00 0.08 H HETATM 1821 H ACE A 155 11.305 11.694 26.340 1.00 0.19 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 1497 1498 1499 1503 CONECT 1498 1497 CONECT 1499 1497 1500 1501 1502 CONECT 1500 1499 CONECT 1501 1499 CONECT 1502 1499 CONECT 1503 1497 1504 1821 CONECT 1504 1503 1505 1804 1820 CONECT 1505 1504 1506 1507 CONECT 1506 1505 CONECT 1507 1505 1508 1803 CONECT 1508 1507 1509 1794 1802 CONECT 1509 1508 1510 1511 CONECT 1510 1509 CONECT 1511 1509 1512 1793 CONECT 1512 1511 1513 1743 1792 CONECT 1513 1512 1514 1515 CONECT 1514 1513 CONECT 1515 1513 1516 1784 CONECT 1516 1515 1517 1782 1791 CONECT 1517 1516 1518 1519 CONECT 1518 1517 CONECT 1519 1517 1520 1781 CONECT 1520 1519 1521 1775 1780 CONECT 1521 1520 1522 1523 CONECT 1522 1521 CONECT 1523 1521 1524 1774 CONECT 1524 1523 1525 1760 1773 CONECT 1525 1524 1526 1527 CONECT 1526 1525 CONECT 1527 1525 1528 1759 CONECT 1528 1527 1529 1736 1758 CONECT 1529 1528 1530 1531 CONECT 1530 1529 CONECT 1531 1529 1532 1735 CONECT 1532 1531 1533 1716 1734 CONECT 1533 1532 1534 1535 CONECT 1534 1533 CONECT 1535 1533 1536 1715 CONECT 1536 1535 1537 1704 1714 CONECT 1537 1536 1538 1539 CONECT 1538 1537 CONECT 1539 1537 1540 1703 CONECT 1540 1539 1541 1691 1702 CONECT 1541 1540 1542 1543 CONECT 1542 1541 CONECT 1543 1541 1544 1690 CONECT 1544 1543 1545 1685 1689 CONECT 1545 1544 1546 1547 CONECT 1546 1545 CONECT 1547 1545 1548 1684 CONECT 1548 1547 1549 1672 1683 CONECT 1549 1548 1550 1551 CONECT 1550 1549 CONECT 1551 1549 1552 1671 CONECT 1552 1551 1553 1657 1670 CONECT 1553 1552 1554 1555 CONECT 1554 1553 CONECT 1555 1553 1556 1656 CONECT 1556 1555 1557 1637 1655 CONECT 1557 1556 1558 1559 CONECT 1558 1557 CONECT 1559 1557 1560 1636 CONECT 1560 1559 1561 1619 1635 CONECT 1561 1560 1562 1563 CONECT 1562 1561 CONECT 1563 1561 1564 1618 CONECT 1564 1563 1565 1601 1617 CONECT 1565 1564 1566 1567 CONECT 1566 1565 CONECT 1567 1565 1568 1600 CONECT 1568 1567 1569 1588 1599 CONECT 1569 1568 1570 1571 CONECT 1570 1569 CONECT 1571 1569 1572 1587 CONECT 1572 1571 1573 1576 1586 CONECT 1573 1572 1574 1575 CONECT 1574 1573 CONECT 1575 1573 CONECT 1576 1572 1577 1581 1585 CONECT 1577 1576 1578 1579 1580 CONECT 1578 1577 CONECT 1579 1577 CONECT 1580 1577 CONECT 1581 1576 1582 1583 1584 CONECT 1582 1581 CONECT 1583 1581 CONECT 1584 1581 CONECT 1585 1576 CONECT 1586 1572 CONECT 1587 1571 CONECT 1588 1568 1589 1597 1598 CONECT 1589 1588 1590 1595 1596 CONECT 1590 1589 1591 CONECT 1591 1590 1592 1593 1594 CONECT 1592 1591 CONECT 1593 1591 CONECT 1594 1591 CONECT 1595 1589 CONECT 1596 1589 CONECT 1597 1588 CONECT 1598 1588 CONECT 1599 1568 CONECT 1600 1567 CONECT 1601 1564 1602 1615 1616 CONECT 1602 1601 1603 1613 1614 CONECT 1603 1602 1604 1611 1612 CONECT 1604 1603 1605 1609 1610 CONECT 1605 1604 1606 1607 1608 CONECT 1606 1605 CONECT 1607 1605 CONECT 1608 1605 CONECT 1609 1604 CONECT 1610 1604 CONECT 1611 1603 CONECT 1612 1603 CONECT 1613 1602 CONECT 1614 1602 CONECT 1615 1601 CONECT 1616 1601 CONECT 1617 1564 CONECT 1618 1563 CONECT 1619 1560 1620 1633 1634 CONECT 1620 1619 1621 1631 1632 CONECT 1621 1620 1622 1629 1630 CONECT 1622 1621 1623 1627 1628 CONECT 1623 1622 1624 1625 1626 CONECT 1624 1623 CONECT 1625 1623 CONECT 1626 1623 CONECT 1627 1622 CONECT 1628 1622 CONECT 1629 1621 CONECT 1630 1621 CONECT 1631 1620 CONECT 1632 1620 CONECT 1633 1619 CONECT 1634 1619 CONECT 1635 1560 CONECT 1636 1559 CONECT 1637 1556 1638 1653 1654 CONECT 1638 1637 1639 1651 1652 CONECT 1639 1638 1640 1649 1650 CONECT 1640 1639 1641 1648 CONECT 1641 1640 1642 1645 CONECT 1642 1641 1643 1644 CONECT 1643 1642 CONECT 1644 1642 CONECT 1645 1641 1646 1647 CONECT 1646 1645 CONECT 1647 1645 CONECT 1648 1640 CONECT 1649 1639 CONECT 1650 1639 CONECT 1651 1638 CONECT 1652 1638 CONECT 1653 1637 CONECT 1654 1637 CONECT 1655 1556 CONECT 1656 1555 CONECT 1657 1552 1658 1665 1669 CONECT 1658 1657 1659 1663 1664 CONECT 1659 1658 1660 1661 1662 CONECT 1660 1659 CONECT 1661 1659 CONECT 1662 1659 CONECT 1663 1658 CONECT 1664 1658 CONECT 1665 1657 1666 1667 1668 CONECT 1666 1665 CONECT 1667 1665 CONECT 1668 1665 CONECT 1669 1657 CONECT 1670 1552 CONECT 1671 1551 CONECT 1672 1548 1673 1681 1682 CONECT 1673 1672 1674 1677 CONECT 1674 1673 1675 CONECT 1675 1674 1676 1680 CONECT 1676 1675 1677 1679 CONECT 1677 1673 1676 1678 CONECT 1678 1677 CONECT 1679 1676 CONECT 1680 1675 CONECT 1681 1672 CONECT 1682 1672 CONECT 1683 1548 CONECT 1684 1547 CONECT 1685 1544 1686 1687 1688 CONECT 1686 1685 CONECT 1687 1685 CONECT 1688 1685 CONECT 1689 1544 CONECT 1690 1543 CONECT 1691 1540 1692 1700 1701 CONECT 1692 1691 1693 1698 1699 CONECT 1693 1692 1694 1695 CONECT 1694 1693 CONECT 1695 1693 1696 1697 CONECT 1696 1695 CONECT 1697 1695 CONECT 1698 1692 CONECT 1699 1692 CONECT 1700 1691 CONECT 1701 1691 CONECT 1702 1540 CONECT 1703 1539 CONECT 1704 1536 1705 1709 1713 CONECT 1705 1704 1706 1707 1708 CONECT 1706 1705 CONECT 1707 1705 CONECT 1708 1705 CONECT 1709 1704 1710 1711 1712 CONECT 1710 1709 CONECT 1711 1709 CONECT 1712 1709 CONECT 1713 1704 CONECT 1714 1536 CONECT 1715 1535 CONECT 1716 1532 1717 1732 1733 CONECT 1717 1716 1718 1730 1731 CONECT 1718 1717 1719 1728 1729 CONECT 1719 1718 1720 1727 CONECT 1720 1719 1721 1724 CONECT 1721 1720 1722 1723 CONECT 1722 1721 CONECT 1723 1721 CONECT 1724 1720 1725 1726 CONECT 1725 1724 CONECT 1726 1724 CONECT 1727 1719 CONECT 1728 1718 CONECT 1729 1718 CONECT 1730 1717 CONECT 1731 1717 CONECT 1732 1716 CONECT 1733 1716 CONECT 1734 1532 CONECT 1735 1531 CONECT 1736 1528 1737 1756 1757 CONECT 1737 1736 1738 1754 1755 CONECT 1738 1737 1739 1752 1753 CONECT 1739 1738 1740 1751 CONECT 1740 1739 1741 1750 CONECT 1741 1740 1742 1748 1749 CONECT 1742 1741 1743 1746 1747 CONECT 1743 1512 1742 1744 1745 CONECT 1744 1743 CONECT 1745 1743 CONECT 1746 1742 CONECT 1747 1742 CONECT 1748 1741 CONECT 1749 1741 CONECT 1750 1740 CONECT 1751 1739 CONECT 1752 1738 CONECT 1753 1738 CONECT 1754 1737 CONECT 1755 1737 CONECT 1756 1736 CONECT 1757 1736 CONECT 1758 1528 CONECT 1759 1527 CONECT 1760 1524 1761 1771 1772 CONECT 1761 1760 1762 1766 1770 CONECT 1762 1761 1763 1764 1765 CONECT 1763 1762 CONECT 1764 1762 CONECT 1765 1762 CONECT 1766 1761 1767 1768 1769 CONECT 1767 1766 CONECT 1768 1766 CONECT 1769 1766 CONECT 1770 1761 CONECT 1771 1760 CONECT 1772 1760 CONECT 1773 1524 CONECT 1774 1523 CONECT 1775 1520 1776 1778 1779 CONECT 1776 1775 1777 CONECT 1777 1776 CONECT 1778 1775 CONECT 1779 1775 CONECT 1780 1520 CONECT 1781 1519 CONECT 1782 1516 1783 1789 1790 CONECT 1783 1782 1784 1787 1788 CONECT 1784 1515 1783 1785 1786 CONECT 1785 1784 CONECT 1786 1784 CONECT 1787 1783 CONECT 1788 1783 CONECT 1789 1782 CONECT 1790 1782 CONECT 1791 1516 CONECT 1792 1512 CONECT 1793 1511 CONECT 1794 1508 1795 1800 1801 CONECT 1795 1794 1796 1797 CONECT 1796 1795 CONECT 1797 1795 1798 1799 CONECT 1798 1797 CONECT 1799 1797 CONECT 1800 1794 CONECT 1801 1794 CONECT 1802 1508 CONECT 1803 1507 CONECT 1804 1504 1805 1818 1819 CONECT 1805 1804 1806 1816 1817 CONECT 1806 1805 1807 1814 1815 CONECT 1807 1806 1808 1812 1813 CONECT 1808 1807 1809 1810 1811 CONECT 1809 1808 CONECT 1810 1808 CONECT 1811 1808 CONECT 1812 1807 CONECT 1813 1807 CONECT 1814 1806 CONECT 1815 1806 CONECT 1816 1805 CONECT 1817 1805 CONECT 1818 1804 CONECT 1819 1804 CONECT 1820 1504 CONECT 1821 1503 MASTER 0 0 0 0 0 0 0 0 1820 1 329 11 END
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Entry Information
PDB ID
4mzj
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Myosin A tail domain interacting protein, MTIP from Plasmodium falciparum
Ligand Name
19-mer
EC.Number
E.C.-.-.-.-
Resolution
1.47(Å)
Affinity (Kd/Ki/IC50)
IC50=1.6uM
Release Year
2013
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) Acs Chem.Biol. Vol. 8: pp. 506-512
Ligand Properties
Formula
C
9
7
H
1
7
4
N
3
1
O
2
3
S
Molecular Weight
2174.680
Exact Mass
2173.310
No. of atoms
326
No. of bonds
328
Polar Surface Area
927.64
LOGP Value
-1.11 (
Computed with XLOGP3
)
-2.39 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 24
No. of Hydrogen Bond Acceptors: 24
No. of Rotatable Bonds: 79
No. of Nitrogen and Oxygen Atoms: 54
No. of Rings: 3
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)CCSC)CCCC[NH3+])NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCC/C=C\CCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C)CCCC[NH3+])CC(=O)N)C(=O)N2[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CO)CCC2)CCC[NH+]=C(N)N)CCC(=O)N)C)Cc1nc[nH]c1)CCC[NH+]=C(N)N
InChI String
InChI=1S/C97H169N31O23S/c1-12-55(8)77(93(148)118-63(33-25-42-108-96(103)104)84(139)114-61(30-20-23-40-99)82(137)113-62(31-21-24-41-100)83(138)117-66(38-45-152-11)86(141)126-76(54(6)7)95(150)151)127-89(144)69(47-58-49-107-51-110-58)121-78(133)56(9)111-79(134)65(36-37-73(101)131)119-92(147)75(53(4)5)125-85(140)64(34-26-43-109-97(105)106)115-81(136)60-28-17-15-13-14-16-18-32-67(120-88(143)70(48-74(102)132)123-80(135)59(112-57(10)130)29-19-22-39-98)94(149)128-44-27-35-72(128)91(146)124-71(50-129)90(145)122-68(46-52(2)3)87(142)116-60/h13-14,49,51-56,59-72,75-77,129H,12,15-48,50,98-100H2,1-11H3,(H2,101,131)(H2,102,132)(H,107,110)(H,111,134)(H,112,130)(H,113,137)(H,114,139)(H,115,136)(H,116,142)(H,117,138)(H,118,148)(H,119,147)(H,120,143)(H,121,133)(H,122,145)(H,123,135)(H,124,146)(H,125,140)(H,126,141)(H,127,144)(H,150,151)(H4,103,104,108)(H4,105,106,109)/p+5/b14-13-/t55-,56-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,75-,76-,77-/m0/s1
Links to External Databases
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Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q8IDR3
Q8I4W8
Entrez Gene ID
NCBI Entrez Gene ID:
814200
811497
ASD
Information of known allosteric effects of PDB entries
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