Browse entries in the PDBbind-CN Database
HEADER 4UNS_COMPLEX COMPND 4UNS_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 144 MET LEU ILE ALA ILE GLU GLY VAL ASP GLY ALA GLY LYS SEQRES 2 A 144 ARG THR LEU VAL GLU LYS LEU SER GLY ALA PHE ARG ALA SEQRES 3 A 144 ALA GLY ARG SER VAL ALA THR LEU ALA PHE PRO ARG TYR SEQRES 4 A 144 GLY GLN SER VAL ALA ALA ASP ILE ALA ALA GLU ALA LEU SEQRES 5 A 144 HIS GLY GLU HIS GLY ASP LEU ALA SER SER VAL TYR ALA SEQRES 6 A 144 MET ALA THR LEU PHE ALA LEU ASP ARG ALA GLY ALA VAL SEQRES 7 A 144 HIS THR ILE GLN GLY LEU CYS ARG GLY TYR ASP VAL VAL SEQRES 8 A 144 ILE LEU ASP ARG TYR VAL ALA SER ASN ALA ALA TYR SER SEQRES 9 A 144 ALA ALA ARG LEU HIS GLU ASN ALA ALA GLY LYS ALA ALA SEQRES 10 A 144 ALA TRP VAL GLN ARG ILE GLU PHE ALA ARG LEU GLY LEU SEQRES 11 A 144 PRO LYS PRO ASP TRP GLN VAL LEU LEU ALA VAL SER ALA SEQRES 12 A 144 GLU SEQRES 1 A 42 ASP ALA GLU LEU GLN GLN ARG THR GLY ALA VAL TYR ALA SEQRES 2 A 42 GLU LEU ALA ALA GLN GLY TRP GLY GLY ARG TRP LEU VAL SEQRES 3 A 42 VAL GLY ALA ASP VAL ASP PRO GLY ARG LEU ALA ALA THR SEQRES 4 A 42 LEU ALA PRO HET NA A 1 1 HET QZ A 3 45 ATOM 1 N MET A 1 -2.139 37.698 -20.755 1.00 33.74 N ATOM 2 CA MET A 1 -1.561 36.403 -21.219 1.00 32.75 C ATOM 3 C MET A 1 -1.033 35.648 -20.010 1.00 30.37 C ATOM 4 O MET A 1 -0.398 36.256 -19.148 1.00 29.96 O ATOM 5 CB MET A 1 -0.419 36.664 -22.210 1.00 33.58 C ATOM 6 CG MET A 1 0.134 35.375 -22.856 1.00 36.47 C ATOM 7 SD MET A 1 1.450 35.630 -24.047 1.00 44.04 S ATOM 8 CE MET A 1 2.522 36.725 -23.126 1.00 42.88 C ATOM 9 HN3 MET A 1 -1.400 38.257 -20.283 1.00 0.00 H ATOM 10 HN2 MET A 1 -2.914 37.511 -20.087 1.00 0.00 H ATOM 11 HN1 MET A 1 -2.505 38.226 -21.573 1.00 0.00 H ATOM 12 N LEU A 2 -1.298 34.339 -19.953 1.00 28.51 N ATOM 13 CA LEU A 2 -0.860 33.459 -18.844 1.00 26.50 C ATOM 14 C LEU A 2 0.178 32.421 -19.315 1.00 25.62 C ATOM 15 O LEU A 2 -0.083 31.619 -20.200 1.00 24.86 O ATOM 16 CB LEU A 2 -2.064 32.722 -18.226 1.00 26.47 C ATOM 17 CG LEU A 2 -1.800 31.819 -17.027 1.00 24.64 C ATOM 18 CD1 LEU A 2 -1.202 32.620 -15.866 1.00 23.01 C ATOM 19 CD2 LEU A 2 -3.082 31.086 -16.616 1.00 23.41 C ATOM 20 H LEU A 2 -1.842 33.914 -20.731 1.00 0.00 H ATOM 21 N ILE A 3 1.342 32.431 -18.686 1.00 24.71 N ATOM 22 CA ILE A 3 2.462 31.625 -19.110 1.00 25.15 C ATOM 23 C ILE A 3 2.924 30.870 -17.876 1.00 24.31 C ATOM 24 O ILE A 3 3.005 31.457 -16.799 1.00 25.62 O ATOM 25 CB ILE A 3 3.640 32.530 -19.634 1.00 25.72 C ATOM 26 CG1 ILE A 3 3.210 33.301 -20.887 1.00 26.30 C ATOM 27 CG2 ILE A 3 4.900 31.688 -19.920 1.00 27.00 C ATOM 28 CD1 ILE A 3 4.145 34.445 -21.282 1.00 27.13 C ATOM 29 H ILE A 3 1.454 33.044 -17.853 1.00 0.00 H ATOM 30 N ALA A 4 3.196 29.582 -18.028 1.00 22.86 N ATOM 31 CA ALA A 4 3.721 28.763 -16.970 1.00 22.22 C ATOM 32 C ALA A 4 5.113 28.306 -17.369 1.00 21.92 C ATOM 33 O ALA A 4 5.344 27.879 -18.496 1.00 23.20 O ATOM 34 CB ALA A 4 2.795 27.568 -16.713 1.00 21.71 C ATOM 35 H ALA A 4 3.022 29.144 -18.955 1.00 0.00 H ATOM 36 N ILE A 5 6.053 28.434 -16.454 1.00 21.87 N ATOM 37 CA ILE A 5 7.411 27.969 -16.660 1.00 21.52 C ATOM 38 C ILE A 5 7.513 26.633 -15.953 1.00 21.80 C ATOM 39 O ILE A 5 7.150 26.524 -14.779 1.00 21.23 O ATOM 40 CB ILE A 5 8.446 28.939 -16.062 1.00 21.23 C ATOM 41 CG1 ILE A 5 8.271 30.359 -16.639 1.00 20.98 C ATOM 42 CG2 ILE A 5 9.845 28.448 -16.334 1.00 22.70 C ATOM 43 CD1 ILE A 5 8.320 30.490 -18.161 1.00 21.16 C ATOM 44 H ILE A 5 5.811 28.886 -15.549 1.00 0.00 H ATOM 45 N GLU A 6 7.978 25.615 -16.675 1.00 21.97 N ATOM 46 CA GLU A 6 8.032 24.259 -16.141 1.00 22.19 C ATOM 47 C GLU A 6 9.412 23.643 -16.346 1.00 22.78 C ATOM 48 O GLU A 6 10.171 24.084 -17.192 1.00 22.29 O ATOM 49 CB GLU A 6 6.992 23.393 -16.851 1.00 22.20 C ATOM 50 CG GLU A 6 5.526 23.841 -16.634 1.00 21.75 C ATOM 51 CD GLU A 6 4.936 23.393 -15.294 1.00 20.35 C ATOM 52 OE1 GLU A 6 5.669 22.778 -14.518 1.00 18.92 O ATOM 53 OE2 GLU A 6 3.740 23.665 -15.016 1.00 17.44 O ATOM 54 H GLU A 6 8.311 25.792 -17.644 1.00 0.00 H ATOM 55 N GLY A 7 9.697 22.590 -15.582 1.00 23.84 N ATOM 56 CA GLY A 7 10.940 21.834 -15.662 1.00 24.76 C ATOM 57 C GLY A 7 11.222 21.136 -14.336 1.00 25.74 C ATOM 58 O GLY A 7 10.497 21.336 -13.382 1.00 24.73 O ATOM 59 H GLY A 7 8.987 22.288 -14.884 1.00 0.00 H ATOM 60 N VAL A 8 12.275 20.316 -14.290 1.00 28.10 N ATOM 61 CA VAL A 8 12.701 19.645 -13.054 1.00 29.77 C ATOM 62 C VAL A 8 13.417 20.615 -12.125 1.00 31.27 C ATOM 63 O VAL A 8 13.801 21.706 -12.526 1.00 31.67 O ATOM 64 CB VAL A 8 13.611 18.433 -13.338 1.00 30.48 C ATOM 65 CG1 VAL A 8 12.853 17.407 -14.152 1.00 30.29 C ATOM 66 CG2 VAL A 8 14.894 18.862 -14.036 1.00 30.98 C ATOM 67 H VAL A 8 12.814 20.146 -15.163 1.00 0.00 H ATOM 68 N ASP A 9 13.580 20.227 -10.870 1.00 33.39 N ATOM 69 CA ASP A 9 14.200 21.111 -9.877 1.00 35.09 C ATOM 70 C ASP A 9 15.661 21.366 -10.209 1.00 35.85 C ATOM 71 O ASP A 9 16.371 20.452 -10.569 1.00 36.56 O ATOM 72 CB ASP A 9 14.111 20.492 -8.484 1.00 36.18 C ATOM 73 CG ASP A 9 12.722 20.561 -7.912 1.00 37.06 C ATOM 74 OD1 ASP A 9 12.025 21.548 -8.224 1.00 39.09 O ATOM 75 OD2 ASP A 9 12.331 19.646 -7.156 1.00 40.38 O ATOM 76 H ASP A 9 13.263 19.279 -10.583 1.00 0.00 H ATOM 77 N GLY A 10 16.103 22.611 -10.091 1.00 36.39 N ATOM 78 CA GLY A 10 17.498 22.945 -10.403 1.00 36.93 C ATOM 79 C GLY A 10 17.712 23.215 -11.871 1.00 36.74 C ATOM 80 O GLY A 10 18.823 23.522 -12.293 1.00 37.69 O ATOM 81 H GLY A 10 15.454 23.359 -9.774 1.00 0.00 H ATOM 82 N ALA A 11 16.644 23.112 -12.665 1.00 36.12 N ATOM 83 CA ALA A 11 16.719 23.472 -14.068 1.00 35.20 C ATOM 84 C ALA A 11 17.060 24.967 -14.211 1.00 34.87 C ATOM 85 O ALA A 11 17.697 25.369 -15.178 1.00 34.99 O ATOM 86 CB ALA A 11 15.402 23.140 -14.780 1.00 34.59 C ATOM 87 H ALA A 11 15.745 22.768 -12.272 1.00 0.00 H ATOM 88 N GLY A 12 16.628 25.780 -13.243 1.00 34.00 N ATOM 89 CA GLY A 12 16.914 27.219 -13.240 1.00 32.54 C ATOM 90 C GLY A 12 15.690 27.971 -13.695 1.00 30.93 C ATOM 91 O GLY A 12 15.788 28.971 -14.412 1.00 29.88 O ATOM 92 H GLY A 12 16.069 25.378 -12.463 1.00 0.00 H ATOM 93 N LYS A 13 14.532 27.501 -13.261 1.00 29.25 N ATOM 94 CA LYS A 13 13.264 28.107 -13.661 1.00 29.12 C ATOM 95 C LYS A 13 13.118 29.544 -13.196 1.00 29.05 C ATOM 96 O LYS A 13 12.594 30.380 -13.920 1.00 28.40 O ATOM 97 CB LYS A 13 12.072 27.324 -13.086 1.00 28.00 C ATOM 98 CG LYS A 13 11.915 25.934 -13.627 1.00 28.37 C ATOM 99 CD LYS A 13 10.601 25.278 -13.147 1.00 27.43 C ATOM 100 CE LYS A 13 10.702 24.789 -11.713 1.00 26.83 C ATOM 101 NZ LYS A 13 10.798 25.902 -10.745 1.00 26.83 N ATOM 102 HZ1 LYS A 13 11.645 26.468 -10.953 1.00 0.00 H ATOM 103 HZ2 LYS A 13 9.951 26.501 -10.822 1.00 0.00 H ATOM 104 HZ3 LYS A 13 10.865 25.517 -9.781 1.00 0.00 H ATOM 105 H LYS A 13 14.524 26.682 -12.621 1.00 0.00 H ATOM 106 N ARG A 14 13.519 29.823 -11.963 1.00 29.95 N ATOM 107 CA ARG A 14 13.262 31.152 -11.408 1.00 31.06 C ATOM 108 C ARG A 14 14.109 32.189 -12.139 1.00 30.72 C ATOM 109 O ARG A 14 13.655 33.305 -12.384 1.00 31.84 O ATOM 110 CB ARG A 14 13.531 31.172 -9.904 1.00 32.70 C ATOM 111 CG ARG A 14 13.284 32.535 -9.251 1.00 36.43 C ATOM 112 CD ARG A 14 13.592 32.484 -7.779 1.00 41.20 C ATOM 113 NE ARG A 14 13.884 33.820 -7.256 1.00 45.47 N ATOM 114 CZ ARG A 14 14.048 34.104 -5.965 1.00 47.54 C ATOM 115 NH1 ARG A 14 13.938 33.140 -5.054 1.00 48.14 N ATOM 116 NH2 ARG A 14 14.315 35.360 -5.583 1.00 48.27 N ATOM 117 HE ARG A 14 13.969 34.600 -7.939 1.00 0.00 H ATOM 118 HH12 ARG A 14 14.066 33.360 -4.046 1.00 0.00 H ATOM 119 HH11 ARG A 14 13.724 32.166 -5.350 1.00 0.00 H ATOM 120 HH22 ARG A 14 14.443 35.581 -4.575 1.00 0.00 H ATOM 121 HH21 ARG A 14 14.394 36.114 -6.295 1.00 0.00 H ATOM 122 H ARG A 14 14.012 29.104 -11.396 1.00 0.00 H ATOM 123 N THR A 15 15.327 31.803 -12.514 1.00 30.31 N ATOM 124 CA THR A 15 16.219 32.641 -13.306 1.00 29.97 C ATOM 125 C THR A 15 15.546 33.001 -14.646 1.00 28.54 C ATOM 126 O THR A 15 15.560 34.147 -15.077 1.00 27.76 O ATOM 127 CB THR A 15 17.538 31.901 -13.562 1.00 30.24 C ATOM 128 OG1 THR A 15 18.188 31.672 -12.311 1.00 31.93 O ATOM 129 CG2 THR A 15 18.457 32.677 -14.495 1.00 31.15 C ATOM 130 HG1 THR A 15 17.602 31.123 -11.732 1.00 0.00 H ATOM 131 H THR A 15 15.658 30.859 -12.228 1.00 0.00 H ATOM 132 N LEU A 16 14.935 32.008 -15.276 1.00 27.55 N ATOM 133 CA LEU A 16 14.212 32.213 -16.535 1.00 27.01 C ATOM 134 C LEU A 16 12.969 33.096 -16.331 1.00 26.71 C ATOM 135 O LEU A 16 12.700 33.990 -17.124 1.00 26.93 O ATOM 136 CB LEU A 16 13.829 30.876 -17.163 1.00 26.05 C ATOM 137 CG LEU A 16 13.010 30.965 -18.455 1.00 26.22 C ATOM 138 CD1 LEU A 16 13.749 31.808 -19.476 1.00 25.28 C ATOM 139 CD2 LEU A 16 12.685 29.564 -19.012 1.00 24.61 C ATOM 140 H LEU A 16 14.969 31.053 -14.865 1.00 0.00 H ATOM 141 N VAL A 17 12.231 32.873 -15.256 1.00 26.79 N ATOM 142 CA VAL A 17 11.076 33.731 -14.951 1.00 26.65 C ATOM 143 C VAL A 17 11.509 35.202 -14.869 1.00 27.82 C ATOM 144 O VAL A 17 10.840 36.110 -15.376 1.00 27.39 O ATOM 145 CB VAL A 17 10.401 33.319 -13.647 1.00 26.53 C ATOM 146 CG1 VAL A 17 9.349 34.380 -13.233 1.00 27.71 C ATOM 147 CG2 VAL A 17 9.765 31.910 -13.758 1.00 23.57 C ATOM 148 H VAL A 17 12.469 32.084 -14.621 1.00 0.00 H ATOM 149 N GLU A 18 12.651 35.428 -14.244 1.00 28.74 N ATOM 150 CA GLU A 18 13.158 36.781 -14.028 1.00 29.78 C ATOM 151 C GLU A 18 13.693 37.380 -15.335 1.00 29.34 C ATOM 152 O GLU A 18 13.428 38.543 -15.631 1.00 29.86 O ATOM 153 CB GLU A 18 14.209 36.783 -12.898 1.00 30.93 C ATOM 154 CG GLU A 18 13.586 36.419 -11.512 1.00 33.90 C ATOM 155 CD GLU A 18 14.586 36.376 -10.343 1.00 39.18 C ATOM 156 OE1 GLU A 18 15.789 36.708 -10.531 1.00 42.41 O ATOM 157 OE2 GLU A 18 14.153 36.006 -9.217 1.00 41.94 O ATOM 158 H GLU A 18 13.205 34.620 -13.896 1.00 0.00 H ATOM 159 N LYS A 19 14.420 36.585 -16.112 1.00 28.75 N ATOM 160 CA LYS A 19 14.878 36.996 -17.439 1.00 29.70 C ATOM 161 C LYS A 19 13.687 37.328 -18.354 1.00 29.48 C ATOM 162 O LYS A 19 13.684 38.361 -19.041 1.00 29.37 O ATOM 163 CB LYS A 19 15.729 35.897 -18.096 1.00 30.22 C ATOM 164 CG LYS A 19 17.161 35.788 -17.570 1.00 31.77 C ATOM 165 CD LYS A 19 17.911 34.638 -18.235 1.00 34.48 C ATOM 166 H LYS A 19 14.672 35.638 -15.765 1.00 0.00 H ATOM 167 N LEU A 20 12.672 36.471 -18.346 1.00 28.58 N ATOM 168 CA LEU A 20 11.450 36.752 -19.117 1.00 29.13 C ATOM 169 C LEU A 20 10.721 38.011 -18.682 1.00 28.88 C ATOM 170 O LEU A 20 10.253 38.754 -19.509 1.00 30.06 O ATOM 171 CB LEU A 20 10.454 35.601 -19.033 1.00 28.37 C ATOM 172 CG LEU A 20 10.356 34.720 -20.253 1.00 30.56 C ATOM 173 CD1 LEU A 20 9.105 33.834 -20.081 1.00 29.73 C ATOM 174 CD2 LEU A 20 10.295 35.562 -21.553 1.00 29.34 C ATOM 175 H LEU A 20 12.741 35.595 -17.791 1.00 0.00 H ATOM 176 N SER A 21 10.579 38.208 -17.383 1.00 29.09 N ATOM 177 CA SER A 21 9.931 39.399 -16.855 1.00 29.90 C ATOM 178 C SER A 21 10.604 40.671 -17.358 1.00 30.83 C ATOM 179 O SER A 21 9.921 41.587 -17.811 1.00 31.27 O ATOM 180 CB SER A 21 9.944 39.389 -15.332 1.00 30.09 C ATOM 181 OG SER A 21 9.276 38.229 -14.841 1.00 30.00 O ATOM 182 HG SER A 21 9.736 37.419 -15.175 1.00 0.00 H ATOM 183 H SER A 21 10.940 37.492 -16.720 1.00 0.00 H ATOM 184 N GLY A 22 11.936 40.718 -17.279 1.00 30.59 N ATOM 185 CA GLY A 22 12.685 41.872 -17.766 1.00 31.23 C ATOM 186 C GLY A 22 12.439 42.130 -19.238 1.00 31.10 C ATOM 187 O GLY A 22 12.244 43.278 -19.649 1.00 31.92 O ATOM 188 H GLY A 22 12.450 39.916 -16.862 1.00 0.00 H ATOM 189 N ALA A 23 12.439 41.057 -20.036 1.00 30.35 N ATOM 190 CA ALA A 23 12.267 41.181 -21.481 1.00 30.20 C ATOM 191 C ALA A 23 10.869 41.703 -21.807 1.00 30.26 C ATOM 192 O ALA A 23 10.732 42.609 -22.611 1.00 31.66 O ATOM 193 CB ALA A 23 12.544 39.838 -22.209 1.00 29.95 C ATOM 194 H ALA A 23 12.564 40.113 -19.618 1.00 0.00 H ATOM 195 N PHE A 24 9.842 41.160 -21.165 1.00 29.39 N ATOM 196 CA PHE A 24 8.476 41.618 -21.387 1.00 29.25 C ATOM 197 C PHE A 24 8.308 43.100 -21.005 1.00 30.83 C ATOM 198 O PHE A 24 7.673 43.879 -21.734 1.00 31.34 O ATOM 199 CB PHE A 24 7.480 40.773 -20.585 1.00 28.44 C ATOM 200 CG PHE A 24 7.192 39.421 -21.175 1.00 26.24 C ATOM 201 CD1 PHE A 24 6.836 39.275 -22.496 1.00 25.69 C ATOM 202 CD2 PHE A 24 7.219 38.288 -20.381 1.00 25.49 C ATOM 203 CE1 PHE A 24 6.539 38.018 -23.022 1.00 26.25 C ATOM 204 CE2 PHE A 24 6.908 37.041 -20.908 1.00 24.45 C ATOM 205 CZ PHE A 24 6.583 36.904 -22.217 1.00 23.10 C ATOM 206 H PHE A 24 10.016 40.390 -20.488 1.00 0.00 H ATOM 207 N ARG A 25 8.890 43.496 -19.875 1.00 31.31 N ATOM 208 CA ARG A 25 8.855 44.905 -19.448 1.00 32.20 C ATOM 209 C ARG A 25 9.646 45.840 -20.388 1.00 32.80 C ATOM 210 O ARG A 25 9.221 46.975 -20.649 1.00 33.14 O ATOM 211 CB ARG A 25 9.363 45.025 -18.009 1.00 32.65 C ATOM 212 CG ARG A 25 8.369 44.527 -16.966 1.00 33.93 C ATOM 213 CD ARG A 25 9.024 44.238 -15.621 1.00 35.65 C ATOM 214 NE ARG A 25 8.018 43.802 -14.649 1.00 37.39 N ATOM 215 CZ ARG A 25 8.253 43.057 -13.567 1.00 37.81 C ATOM 216 NH1 ARG A 25 9.483 42.624 -13.278 1.00 37.39 N ATOM 217 NH2 ARG A 25 7.237 42.735 -12.767 1.00 37.09 N ATOM 218 HE ARG A 25 7.036 44.099 -14.817 1.00 0.00 H ATOM 219 HH12 ARG A 25 9.644 42.044 -12.430 1.00 0.00 H ATOM 220 HH11 ARG A 25 10.279 42.866 -13.901 1.00 0.00 H ATOM 221 HH22 ARG A 25 7.405 42.155 -11.920 1.00 0.00 H ATOM 222 HH21 ARG A 25 6.276 43.064 -12.989 1.00 0.00 H ATOM 223 H ARG A 25 9.379 42.796 -19.282 1.00 0.00 H ATOM 224 N ALA A 26 10.790 45.367 -20.887 1.00 32.69 N ATOM 225 CA ALA A 26 11.555 46.101 -21.912 1.00 33.39 C ATOM 226 C ALA A 26 10.737 46.300 -23.186 1.00 33.92 C ATOM 227 O ALA A 26 10.944 47.274 -23.925 1.00 35.53 O ATOM 228 CB ALA A 26 12.848 45.362 -22.234 1.00 33.38 C ATOM 229 H ALA A 26 11.152 44.455 -20.543 1.00 0.00 H ATOM 230 N ALA A 27 9.822 45.368 -23.449 1.00 32.93 N ATOM 231 CA ALA A 27 8.928 45.436 -24.597 1.00 32.78 C ATOM 232 C ALA A 27 7.646 46.214 -24.313 1.00 33.43 C ATOM 233 O ALA A 27 6.755 46.237 -25.151 1.00 33.11 O ATOM 234 CB ALA A 27 8.596 44.025 -25.087 1.00 31.13 C ATOM 235 H ALA A 27 9.742 44.555 -22.805 1.00 0.00 H ATOM 236 N GLY A 28 7.556 46.857 -23.147 1.00 34.61 N ATOM 237 CA GLY A 28 6.383 47.681 -22.798 1.00 36.06 C ATOM 238 C GLY A 28 5.234 46.974 -22.089 1.00 36.04 C ATOM 239 O GLY A 28 4.159 47.560 -21.888 1.00 36.62 O ATOM 240 H GLY A 28 8.336 46.775 -22.464 1.00 0.00 H ATOM 241 N ARG A 29 5.467 45.737 -21.665 1.00 35.46 N ATOM 242 CA ARG A 29 4.406 44.906 -21.092 1.00 35.55 C ATOM 243 C ARG A 29 4.533 44.776 -19.581 1.00 34.57 C ATOM 244 O ARG A 29 5.618 44.493 -19.069 1.00 34.81 O ATOM 245 CB ARG A 29 4.442 43.512 -21.715 1.00 35.13 C ATOM 246 CG ARG A 29 4.335 43.521 -23.228 1.00 38.32 C ATOM 247 CD ARG A 29 4.533 42.134 -23.840 1.00 42.34 C ATOM 248 NE ARG A 29 4.994 42.268 -25.218 1.00 46.56 N ATOM 249 CZ ARG A 29 4.204 42.364 -26.289 1.00 51.28 C ATOM 250 NH1 ARG A 29 2.875 42.290 -26.182 1.00 51.67 N ATOM 251 NH2 ARG A 29 4.760 42.523 -27.494 1.00 54.01 N ATOM 252 HE ARG A 29 6.021 42.291 -25.378 1.00 0.00 H ATOM 253 HH12 ARG A 29 2.280 42.368 -27.031 1.00 0.00 H ATOM 254 HH11 ARG A 29 2.435 42.155 -25.249 1.00 0.00 H ATOM 255 HH22 ARG A 29 4.158 42.599 -28.339 1.00 0.00 H ATOM 256 HH21 ARG A 29 5.795 42.570 -27.587 1.00 0.00 H ATOM 257 H ARG A 29 6.429 45.348 -21.742 1.00 0.00 H ATOM 258 N SER A 30 3.427 44.969 -18.870 1.00 33.79 N ATOM 259 CA SER A 30 3.400 44.748 -17.418 1.00 33.00 C ATOM 260 C SER A 30 3.384 43.251 -17.115 1.00 31.53 C ATOM 261 O SER A 30 2.822 42.458 -17.864 1.00 31.08 O ATOM 262 CB SER A 30 2.197 45.434 -16.757 1.00 33.21 C ATOM 263 OG SER A 30 0.987 44.988 -17.329 1.00 32.45 O ATOM 264 HG SER A 30 0.983 45.199 -18.296 1.00 0.00 H ATOM 265 H SER A 30 2.561 45.284 -19.352 1.00 0.00 H ATOM 266 N VAL A 31 4.019 42.889 -16.008 1.00 31.21 N ATOM 267 CA VAL A 31 4.235 41.504 -15.635 1.00 30.35 C ATOM 268 C VAL A 31 3.974 41.358 -14.151 1.00 30.23 C ATOM 269 O VAL A 31 4.382 42.219 -13.377 1.00 30.24 O ATOM 270 CB VAL A 31 5.690 41.075 -15.898 1.00 29.82 C ATOM 271 CG1 VAL A 31 5.926 39.612 -15.436 1.00 30.09 C ATOM 272 CG2 VAL A 31 6.025 41.220 -17.369 1.00 30.79 C ATOM 273 H VAL A 31 4.379 43.634 -15.378 1.00 0.00 H ATOM 274 N ALA A 32 3.275 40.281 -13.783 1.00 29.79 N ATOM 275 CA ALA A 32 3.159 39.812 -12.401 1.00 29.89 C ATOM 276 C ALA A 32 3.515 38.325 -12.340 1.00 29.69 C ATOM 277 O ALA A 32 3.320 37.588 -13.299 1.00 29.04 O ATOM 278 CB ALA A 32 1.761 40.027 -11.889 1.00 30.27 C ATOM 279 H ALA A 32 2.783 39.742 -14.524 1.00 0.00 H ATOM 280 N THR A 33 4.056 37.875 -11.218 1.00 30.25 N ATOM 281 CA THR A 33 4.426 36.471 -11.104 1.00 29.64 C ATOM 282 C THR A 33 3.938 35.835 -9.812 1.00 29.75 C ATOM 283 O THR A 33 3.625 36.524 -8.829 1.00 29.76 O ATOM 284 CB THR A 33 5.949 36.269 -11.247 1.00 29.91 C ATOM 285 OG1 THR A 33 6.610 36.649 -10.041 1.00 31.00 O ATOM 286 CG2 THR A 33 6.491 37.107 -12.390 1.00 30.09 C ATOM 287 HG1 THR A 33 6.425 37.603 -9.851 1.00 0.00 H ATOM 288 H THR A 33 4.216 38.523 -10.420 1.00 0.00 H ATOM 289 N LEU A 34 3.830 34.511 -9.878 1.00 29.13 N ATOM 290 CA LEU A 34 3.474 33.654 -8.763 1.00 29.15 C ATOM 291 C LEU A 34 4.274 32.354 -8.896 1.00 27.91 C ATOM 292 O LEU A 34 4.564 31.916 -10.021 1.00 28.20 O ATOM 293 CB LEU A 34 2.015 33.273 -8.808 1.00 29.26 C ATOM 294 CG LEU A 34 0.920 34.312 -8.786 1.00 32.46 C ATOM 295 CD1 LEU A 34 -0.419 33.569 -8.897 1.00 33.13 C ATOM 296 CD2 LEU A 34 0.985 35.172 -7.492 1.00 35.81 C ATOM 297 H LEU A 34 4.014 34.057 -10.795 1.00 0.00 H ATOM 298 N ALA A 35 4.607 31.739 -7.767 1.00 26.58 N ATOM 299 CA ALA A 35 5.345 30.475 -7.754 1.00 26.13 C ATOM 300 C ALA A 35 4.529 29.412 -7.010 1.00 25.52 C ATOM 301 O ALA A 35 3.920 29.710 -5.985 1.00 25.60 O ATOM 302 CB ALA A 35 6.734 30.646 -7.076 1.00 25.75 C ATOM 303 H ALA A 35 4.334 32.170 -6.861 1.00 0.00 H ATOM 304 N PHE A 36 4.490 28.198 -7.552 1.00 24.10 N ATOM 305 CA PHE A 36 3.924 27.038 -6.866 1.00 24.00 C ATOM 306 C PHE A 36 5.018 25.970 -6.616 1.00 24.32 C ATOM 307 O PHE A 36 6.035 25.921 -7.332 1.00 24.82 O ATOM 308 CB PHE A 36 2.773 26.419 -7.679 1.00 23.82 C ATOM 309 CG PHE A 36 1.588 27.332 -7.846 1.00 23.28 C ATOM 310 CD1 PHE A 36 0.645 27.462 -6.835 1.00 24.68 C ATOM 311 CD2 PHE A 36 1.418 28.075 -9.012 1.00 24.15 C ATOM 312 CE1 PHE A 36 -0.456 28.328 -6.990 1.00 24.93 C ATOM 313 CE2 PHE A 36 0.332 28.933 -9.170 1.00 25.62 C ATOM 314 CZ PHE A 36 -0.598 29.071 -8.148 1.00 25.50 C ATOM 315 H PHE A 36 4.880 28.068 -8.507 1.00 0.00 H ATOM 316 N PRO A 37 4.831 25.125 -5.585 1.00 24.07 N ATOM 317 CA PRO A 37 3.749 25.212 -4.611 1.00 24.31 C ATOM 318 C PRO A 37 3.869 26.414 -3.677 1.00 24.92 C ATOM 319 O PRO A 37 4.973 26.895 -3.418 1.00 22.84 O ATOM 320 CB PRO A 37 3.884 23.910 -3.807 1.00 24.46 C ATOM 321 CG PRO A 37 4.705 23.000 -4.654 1.00 24.33 C ATOM 322 CD PRO A 37 5.648 23.918 -5.380 1.00 24.43 C ATOM 323 N ARG A 38 2.733 26.870 -3.150 1.00 25.93 N ATOM 324 CA ARG A 38 2.717 28.000 -2.206 1.00 27.43 C ATOM 325 C ARG A 38 3.025 27.546 -0.789 1.00 28.78 C ATOM 326 O ARG A 38 2.186 27.630 0.116 1.00 29.44 O ATOM 327 CB ARG A 38 1.379 28.709 -2.243 1.00 27.82 C ATOM 328 CG ARG A 38 1.087 29.326 -3.562 1.00 28.11 C ATOM 329 CD ARG A 38 -0.203 30.054 -3.508 1.00 29.70 C ATOM 330 NE ARG A 38 -1.302 29.139 -3.231 1.00 31.38 N ATOM 331 CZ ARG A 38 -2.420 29.464 -2.590 1.00 33.28 C ATOM 332 NH1 ARG A 38 -2.599 30.700 -2.145 1.00 35.55 N ATOM 333 NH2 ARG A 38 -3.361 28.545 -2.382 1.00 33.11 N ATOM 334 HE ARG A 38 -1.204 28.157 -3.560 1.00 0.00 H ATOM 335 HH12 ARG A 38 -3.475 30.950 -1.644 1.00 0.00 H ATOM 336 HH11 ARG A 38 -1.863 31.419 -2.297 1.00 0.00 H ATOM 337 HH22 ARG A 38 -4.235 28.800 -1.880 1.00 0.00 H ATOM 338 HH21 ARG A 38 -3.221 27.572 -2.721 1.00 0.00 H ATOM 339 H ARG A 38 1.835 26.416 -3.412 1.00 0.00 H ATOM 340 N TYR A 39 4.250 27.067 -0.603 1.00 29.80 N ATOM 341 CA TYR A 39 4.711 26.667 0.705 1.00 31.45 C ATOM 342 C TYR A 39 4.704 27.894 1.619 1.00 33.27 C ATOM 343 O TYR A 39 5.185 28.950 1.233 1.00 34.08 O ATOM 344 CB TYR A 39 6.116 26.092 0.616 1.00 31.41 C ATOM 345 CG TYR A 39 6.229 24.833 -0.209 1.00 29.94 C ATOM 346 CD1 TYR A 39 5.379 23.752 0.007 1.00 28.59 C ATOM 347 CD2 TYR A 39 7.215 24.707 -1.195 1.00 30.37 C ATOM 348 CE1 TYR A 39 5.489 22.578 -0.746 1.00 27.23 C ATOM 349 CE2 TYR A 39 7.339 23.523 -1.940 1.00 29.55 C ATOM 350 CZ TYR A 39 6.471 22.471 -1.703 1.00 29.21 C ATOM 351 OH TYR A 39 6.578 21.304 -2.435 1.00 30.60 O ATOM 352 HH TYR A 39 7.475 20.909 -2.295 1.00 0.00 H ATOM 353 H TYR A 39 4.891 26.978 -1.417 1.00 0.00 H ATOM 354 N GLY A 40 4.134 27.747 2.810 1.00 34.86 N ATOM 355 CA GLY A 40 3.990 28.854 3.770 1.00 36.56 C ATOM 356 C GLY A 40 2.626 29.543 3.776 1.00 37.05 C ATOM 357 O GLY A 40 2.321 30.268 4.716 1.00 38.84 O ATOM 358 H GLY A 40 3.774 26.808 3.076 1.00 0.00 H ATOM 359 N GLN A 41 1.826 29.325 2.730 1.00 36.28 N ATOM 360 CA GLN A 41 0.507 29.946 2.558 1.00 36.32 C ATOM 361 C GLN A 41 -0.590 28.913 2.392 1.00 35.61 C ATOM 362 O GLN A 41 -1.730 29.154 2.769 1.00 36.65 O ATOM 363 CB GLN A 41 0.472 30.808 1.286 1.00 36.44 C ATOM 364 CG GLN A 41 1.546 31.867 1.184 1.00 37.83 C ATOM 365 CD GLN A 41 1.444 32.732 -0.071 1.00 39.42 C ATOM 366 OE1 GLN A 41 2.293 33.586 -0.284 1.00 42.20 O ATOM 367 NE2 GLN A 41 0.396 32.535 -0.886 1.00 38.09 N ATOM 368 HE22 GLN A 41 -0.302 31.797 -0.666 1.00 0.00 H ATOM 369 HE21 GLN A 41 0.282 33.121 -1.738 1.00 0.00 H ATOM 370 H GLN A 41 2.158 28.674 1.990 1.00 0.00 H ATOM 371 N SER A 42 -0.264 27.787 1.758 1.00 33.93 N ATOM 372 CA SER A 42 -1.240 26.743 1.527 1.00 32.65 C ATOM 373 C SER A 42 -0.980 25.605 2.497 1.00 32.12 C ATOM 374 O SER A 42 0.129 25.038 2.527 1.00 31.21 O ATOM 375 CB SER A 42 -1.152 26.241 0.084 1.00 31.80 C ATOM 376 OG SER A 42 -1.871 25.029 -0.074 1.00 32.24 O ATOM 377 HG SER A 42 -2.823 25.179 0.154 1.00 0.00 H ATOM 378 H SER A 42 0.712 27.656 1.422 1.00 0.00 H ATOM 379 N VAL A 43 -2.003 25.267 3.284 1.00 31.85 N ATOM 380 CA VAL A 43 -1.901 24.125 4.177 1.00 31.91 C ATOM 381 C VAL A 43 -1.720 22.851 3.364 1.00 30.08 C ATOM 382 O VAL A 43 -0.921 22.015 3.735 1.00 29.97 O ATOM 383 CB VAL A 43 -3.103 23.992 5.165 1.00 33.42 C ATOM 384 CG1 VAL A 43 -4.435 23.847 4.463 1.00 33.25 C ATOM 385 CG2 VAL A 43 -2.870 22.798 6.092 1.00 35.19 C ATOM 386 H VAL A 43 -2.880 25.825 3.258 1.00 0.00 H ATOM 387 N ALA A 44 -2.419 22.724 2.237 1.00 28.75 N ATOM 388 CA ALA A 44 -2.293 21.519 1.380 1.00 28.09 C ATOM 389 C ALA A 44 -0.868 21.351 0.869 1.00 27.38 C ATOM 390 O ALA A 44 -0.299 20.263 0.948 1.00 27.30 O ATOM 391 CB ALA A 44 -3.268 21.574 0.222 1.00 27.35 C ATOM 392 H ALA A 44 -3.067 23.486 1.952 1.00 0.00 H ATOM 393 N ALA A 45 -0.295 22.445 0.365 1.00 26.98 N ATOM 394 CA ALA A 45 1.107 22.487 -0.032 1.00 26.81 C ATOM 395 C ALA A 45 2.017 22.024 1.092 1.00 27.23 C ATOM 396 O ALA A 45 2.839 21.136 0.896 1.00 27.75 O ATOM 397 CB ALA A 45 1.511 23.907 -0.474 1.00 26.70 C ATOM 398 H ALA A 45 -0.872 23.303 0.251 1.00 0.00 H ATOM 399 N ASP A 46 1.870 22.639 2.261 1.00 28.29 N ATOM 400 CA ASP A 46 2.726 22.350 3.423 1.00 28.66 C ATOM 401 C ASP A 46 2.643 20.874 3.832 1.00 29.00 C ATOM 402 O ASP A 46 3.672 20.226 4.042 1.00 30.01 O ATOM 403 CB ASP A 46 2.346 23.266 4.592 1.00 29.79 C ATOM 404 CG ASP A 46 2.746 24.713 4.354 1.00 29.70 C ATOM 405 OD1 ASP A 46 3.541 24.965 3.442 1.00 29.99 O ATOM 406 OD2 ASP A 46 2.268 25.609 5.065 1.00 32.07 O ATOM 407 H ASP A 46 1.120 23.353 2.359 1.00 0.00 H ATOM 408 N ILE A 47 1.432 20.329 3.898 1.00 28.06 N ATOM 409 CA ILE A 47 1.245 18.924 4.254 1.00 27.61 C ATOM 410 C ILE A 47 1.915 18.050 3.212 1.00 27.74 C ATOM 411 O ILE A 47 2.561 17.071 3.548 1.00 27.62 O ATOM 412 CB ILE A 47 -0.239 18.562 4.337 1.00 27.34 C ATOM 413 CG1 ILE A 47 -0.878 19.255 5.549 1.00 28.74 C ATOM 414 CG2 ILE A 47 -0.446 17.029 4.423 1.00 26.77 C ATOM 415 CD1 ILE A 47 -2.384 19.360 5.465 1.00 29.84 C ATOM 416 H ILE A 47 0.599 20.916 3.692 1.00 0.00 H ATOM 417 N ALA A 48 1.774 18.420 1.942 1.00 27.96 N ATOM 418 CA ALA A 48 2.441 17.701 0.859 1.00 28.21 C ATOM 419 C ALA A 48 3.979 17.729 0.990 1.00 28.82 C ATOM 420 O ALA A 48 4.630 16.689 0.918 1.00 29.53 O ATOM 421 CB ALA A 48 1.996 18.244 -0.480 1.00 27.47 C ATOM 422 H ALA A 48 1.175 19.240 1.715 1.00 0.00 H ATOM 423 N ALA A 49 4.564 18.898 1.187 1.00 29.58 N ATOM 424 CA ALA A 49 6.016 18.977 1.362 1.00 30.26 C ATOM 425 C ALA A 49 6.414 18.123 2.556 1.00 31.78 C ATOM 426 O ALA A 49 7.367 17.354 2.497 1.00 31.68 O ATOM 427 CB ALA A 49 6.459 20.408 1.579 1.00 30.35 C ATOM 428 H ALA A 49 3.991 19.765 1.218 1.00 0.00 H ATOM 429 N GLU A 50 5.655 18.263 3.642 1.00 32.86 N ATOM 430 CA GLU A 50 5.904 17.496 4.844 1.00 34.07 C ATOM 431 C GLU A 50 5.820 15.997 4.600 1.00 34.37 C ATOM 432 O GLU A 50 6.650 15.256 5.118 1.00 34.80 O ATOM 433 CB GLU A 50 4.962 17.916 5.962 1.00 34.50 C ATOM 434 CG GLU A 50 5.252 19.320 6.481 1.00 35.25 C ATOM 435 CD GLU A 50 4.051 19.928 7.218 1.00 36.26 C ATOM 436 OE1 GLU A 50 3.112 19.170 7.553 1.00 35.59 O ATOM 437 OE2 GLU A 50 4.034 21.158 7.455 1.00 35.45 O ATOM 438 H GLU A 50 4.865 18.939 3.626 1.00 0.00 H ATOM 439 N ALA A 51 4.858 15.558 3.797 1.00 34.39 N ATOM 440 CA ALA A 51 4.713 14.132 3.473 1.00 35.23 C ATOM 441 C ALA A 51 5.921 13.571 2.718 1.00 36.26 C ATOM 442 O ALA A 51 6.337 12.439 2.968 1.00 37.15 O ATOM 443 CB ALA A 51 3.430 13.875 2.673 1.00 34.50 C ATOM 444 H ALA A 51 4.190 16.241 3.387 1.00 0.00 H ATOM 445 N LEU A 52 6.457 14.354 1.787 1.00 36.66 N ATOM 446 CA LEU A 52 7.658 13.977 1.044 1.00 38.23 C ATOM 447 C LEU A 52 8.904 13.828 1.933 1.00 39.87 C ATOM 448 O LEU A 52 9.870 13.159 1.536 1.00 40.27 O ATOM 449 CB LEU A 52 7.976 15.002 -0.058 1.00 37.51 C ATOM 450 CG LEU A 52 7.025 15.086 -1.239 1.00 37.69 C ATOM 451 CD1 LEU A 52 7.382 16.291 -2.140 1.00 37.83 C ATOM 452 CD2 LEU A 52 7.055 13.777 -1.994 1.00 39.11 C ATOM 453 H LEU A 52 6.006 15.268 1.580 1.00 0.00 H ATOM 454 N HIS A 53 8.890 14.469 3.103 1.00 41.05 N ATOM 455 CA HIS A 53 9.939 14.282 4.110 1.00 42.91 C ATOM 456 C HIS A 53 9.542 13.268 5.201 1.00 43.21 C ATOM 457 O HIS A 53 10.060 13.313 6.313 1.00 44.81 O ATOM 458 CB HIS A 53 10.305 15.629 4.745 1.00 43.76 C ATOM 459 CG HIS A 53 10.797 16.651 3.764 1.00 46.40 C ATOM 460 ND1 HIS A 53 10.125 17.828 3.514 1.00 48.63 N ATOM 461 CD2 HIS A 53 11.898 16.672 2.972 1.00 49.96 C ATOM 462 CE1 HIS A 53 10.791 18.533 2.615 1.00 49.89 C ATOM 463 NE2 HIS A 53 11.870 17.853 2.268 1.00 50.46 N ATOM 464 H HIS A 53 8.108 15.124 3.308 1.00 0.00 H ATOM 465 N GLY A 54 8.626 12.355 4.884 1.00 42.48 N ATOM 466 CA GLY A 54 8.309 11.228 5.771 1.00 42.64 C ATOM 467 C GLY A 54 7.210 11.439 6.803 1.00 42.32 C ATOM 468 O GLY A 54 6.801 10.475 7.475 1.00 43.24 O ATOM 469 H GLY A 54 8.119 12.443 3.980 1.00 0.00 H ATOM 470 N GLU A 55 6.735 12.678 6.961 1.00 40.75 N ATOM 471 CA GLU A 55 5.663 12.957 7.914 1.00 40.27 C ATOM 472 C GLU A 55 4.327 12.450 7.359 1.00 38.07 C ATOM 473 O GLU A 55 4.231 12.040 6.202 1.00 36.79 O ATOM 474 CB GLU A 55 5.550 14.456 8.229 1.00 40.76 C ATOM 475 CG GLU A 55 6.813 15.139 8.784 1.00 43.59 C ATOM 476 CD GLU A 55 7.205 14.646 10.174 1.00 48.34 C ATOM 477 OE1 GLU A 55 6.313 14.240 10.951 1.00 51.21 O ATOM 478 OE2 GLU A 55 8.414 14.678 10.501 1.00 51.61 O ATOM 479 H GLU A 55 7.134 13.455 6.397 1.00 0.00 H ATOM 480 N HIS A 56 3.305 12.480 8.201 1.00 36.80 N ATOM 481 CA HIS A 56 1.947 12.153 7.795 1.00 35.39 C ATOM 482 C HIS A 56 1.788 10.728 7.282 1.00 34.96 C ATOM 483 O HIS A 56 1.135 10.502 6.279 1.00 33.68 O ATOM 484 CB HIS A 56 1.446 13.148 6.748 1.00 34.29 C ATOM 485 CG HIS A 56 1.630 14.574 7.146 1.00 32.71 C ATOM 486 ND1 HIS A 56 1.068 15.100 8.287 1.00 31.89 N ATOM 487 CD2 HIS A 56 2.303 15.587 6.550 1.00 30.44 C ATOM 488 CE1 HIS A 56 1.398 16.376 8.384 1.00 33.76 C ATOM 489 NE2 HIS A 56 2.142 16.697 7.339 1.00 30.70 N ATOM 490 H HIS A 56 3.480 12.748 9.191 1.00 0.00 H ATOM 491 N GLY A 57 2.386 9.776 7.989 1.00 35.54 N ATOM 492 CA GLY A 57 2.134 8.353 7.765 1.00 35.79 C ATOM 493 C GLY A 57 2.463 7.818 6.388 1.00 34.83 C ATOM 494 O GLY A 57 3.572 8.007 5.903 1.00 34.49 O ATOM 495 H GLY A 57 3.060 10.053 8.731 1.00 0.00 H ATOM 496 N ASP A 58 1.482 7.154 5.766 1.00 34.81 N ATOM 497 CA ASP A 58 1.632 6.555 4.425 1.00 34.44 C ATOM 498 C ASP A 58 1.130 7.493 3.289 1.00 33.09 C ATOM 499 O ASP A 58 0.938 7.065 2.139 1.00 32.23 O ATOM 500 CB ASP A 58 0.895 5.197 4.373 1.00 35.23 C ATOM 501 CG ASP A 58 -0.605 5.341 4.573 1.00 36.69 C ATOM 502 OD1 ASP A 58 -1.038 6.508 4.710 1.00 35.51 O ATOM 503 OD2 ASP A 58 -1.341 4.307 4.614 1.00 38.50 O ATOM 504 H ASP A 58 0.568 7.055 6.252 1.00 0.00 H ATOM 505 N LEU A 59 0.942 8.770 3.608 1.00 32.39 N ATOM 506 CA LEU A 59 0.442 9.747 2.634 1.00 31.96 C ATOM 507 C LEU A 59 1.282 9.778 1.360 1.00 31.60 C ATOM 508 O LEU A 59 0.755 9.602 0.264 1.00 30.88 O ATOM 509 CB LEU A 59 0.368 11.133 3.274 1.00 31.47 C ATOM 510 CG LEU A 59 -0.157 12.339 2.480 1.00 32.04 C ATOM 511 CD1 LEU A 59 -1.061 11.951 1.336 1.00 30.73 C ATOM 512 CD2 LEU A 59 -0.869 13.329 3.429 1.00 33.04 C ATOM 513 H LEU A 59 1.155 9.086 4.576 1.00 0.00 H ATOM 514 N ALA A 60 2.589 9.954 1.518 1.00 32.34 N ATOM 515 CA ALA A 60 3.504 10.063 0.379 1.00 32.52 C ATOM 516 C ALA A 60 3.567 8.798 -0.479 1.00 32.81 C ATOM 517 O ALA A 60 4.071 8.857 -1.601 1.00 32.41 O ATOM 518 CB ALA A 60 4.919 10.450 0.844 1.00 32.92 C ATOM 519 H ALA A 60 2.975 10.016 2.482 1.00 0.00 H ATOM 520 N SER A 61 3.053 7.678 0.028 1.00 33.15 N ATOM 521 CA SER A 61 2.978 6.454 -0.771 1.00 33.63 C ATOM 522 C SER A 61 1.942 6.531 -1.899 1.00 32.92 C ATOM 523 O SER A 61 2.028 5.756 -2.837 1.00 33.68 O ATOM 524 CB SER A 61 2.698 5.217 0.112 1.00 34.70 C ATOM 525 OG SER A 61 1.303 4.977 0.261 1.00 35.39 O ATOM 526 HG SER A 61 0.877 5.764 0.685 1.00 0.00 H ATOM 527 H SER A 61 2.700 7.674 1.006 1.00 0.00 H ATOM 528 N SER A 62 0.956 7.437 -1.799 1.00 31.94 N ATOM 529 CA SER A 62 -0.039 7.629 -2.859 1.00 30.06 C ATOM 530 C SER A 62 0.306 8.813 -3.763 1.00 28.78 C ATOM 531 O SER A 62 0.299 9.979 -3.328 1.00 27.93 O ATOM 532 CB SER A 62 -1.421 7.863 -2.276 1.00 30.49 C ATOM 533 OG SER A 62 -2.370 8.056 -3.323 1.00 29.62 O ATOM 534 HG SER A 62 -3.266 8.207 -2.931 1.00 0.00 H ATOM 535 H SER A 62 0.896 8.022 -0.941 1.00 0.00 H ATOM 536 N VAL A 63 0.560 8.499 -5.034 1.00 27.50 N ATOM 537 CA VAL A 63 0.847 9.487 -6.039 1.00 25.65 C ATOM 538 C VAL A 63 -0.347 10.402 -6.194 1.00 24.91 C ATOM 539 O VAL A 63 -0.194 11.610 -6.181 1.00 23.65 O ATOM 540 CB VAL A 63 1.211 8.840 -7.408 1.00 25.86 C ATOM 541 CG1 VAL A 63 1.479 9.911 -8.449 1.00 23.85 C ATOM 542 CG2 VAL A 63 2.440 7.939 -7.256 1.00 26.74 C ATOM 543 H VAL A 63 0.550 7.496 -5.310 1.00 0.00 H ATOM 544 N TYR A 64 -1.533 9.818 -6.322 1.00 25.29 N ATOM 545 CA TYR A 64 -2.738 10.608 -6.527 1.00 25.67 C ATOM 546 C TYR A 64 -3.078 11.455 -5.294 1.00 25.91 C ATOM 547 O TYR A 64 -3.703 12.517 -5.422 1.00 25.73 O ATOM 548 CB TYR A 64 -3.925 9.727 -6.896 1.00 25.74 C ATOM 549 CG TYR A 64 -3.955 9.290 -8.347 1.00 26.39 C ATOM 550 CD1 TYR A 64 -3.108 8.290 -8.821 1.00 26.92 C ATOM 551 CD2 TYR A 64 -4.847 9.857 -9.248 1.00 28.57 C ATOM 552 CE1 TYR A 64 -3.131 7.886 -10.152 1.00 26.76 C ATOM 553 CE2 TYR A 64 -4.889 9.437 -10.584 1.00 27.27 C ATOM 554 CZ TYR A 64 -4.023 8.457 -11.027 1.00 28.31 C ATOM 555 OH TYR A 64 -4.071 8.034 -12.353 1.00 29.53 O ATOM 556 HH TYR A 64 -3.388 7.333 -12.499 1.00 0.00 H ATOM 557 H TYR A 64 -1.602 8.781 -6.275 1.00 0.00 H ATOM 558 N ALA A 65 -2.688 10.985 -4.113 1.00 26.08 N ATOM 559 CA ALA A 65 -2.897 11.773 -2.895 1.00 26.64 C ATOM 560 C ALA A 65 -2.075 13.042 -2.956 1.00 26.21 C ATOM 561 O ALA A 65 -2.590 14.141 -2.720 1.00 25.97 O ATOM 562 CB ALA A 65 -2.520 10.973 -1.652 1.00 27.23 C ATOM 563 H ALA A 65 -2.232 10.052 -4.053 1.00 0.00 H ATOM 564 N MET A 66 -0.789 12.886 -3.266 1.00 25.75 N ATOM 565 CA MET A 66 0.111 14.025 -3.387 1.00 25.48 C ATOM 566 C MET A 66 -0.363 14.958 -4.506 1.00 24.88 C ATOM 567 O MET A 66 -0.434 16.176 -4.333 1.00 23.97 O ATOM 568 CB MET A 66 1.529 13.547 -3.660 1.00 26.11 C ATOM 569 CG MET A 66 2.131 12.668 -2.554 1.00 27.44 C ATOM 570 SD MET A 66 2.552 13.645 -1.118 1.00 32.02 S ATOM 571 CE MET A 66 3.432 15.010 -1.891 1.00 27.21 C ATOM 572 H MET A 66 -0.418 11.927 -3.426 1.00 0.00 H ATOM 573 N ALA A 67 -0.735 14.377 -5.644 1.00 24.75 N ATOM 574 CA ALA A 67 -1.225 15.177 -6.761 1.00 24.64 C ATOM 575 C ALA A 67 -2.466 15.994 -6.378 1.00 24.14 C ATOM 576 O ALA A 67 -2.666 17.122 -6.855 1.00 24.20 O ATOM 577 CB ALA A 67 -1.522 14.290 -7.982 1.00 24.56 C ATOM 578 H ALA A 67 -0.676 13.343 -5.738 1.00 0.00 H ATOM 579 N THR A 68 -3.304 15.415 -5.538 1.00 23.97 N ATOM 580 CA THR A 68 -4.521 16.072 -5.090 1.00 23.83 C ATOM 581 C THR A 68 -4.221 17.287 -4.225 1.00 23.60 C ATOM 582 O THR A 68 -4.830 18.317 -4.392 1.00 24.15 O ATOM 583 CB THR A 68 -5.408 15.105 -4.285 1.00 23.73 C ATOM 584 OG1 THR A 68 -5.807 14.041 -5.133 1.00 23.79 O ATOM 585 CG2 THR A 68 -6.657 15.810 -3.753 1.00 23.49 C ATOM 586 HG1 THR A 68 -5.004 13.565 -5.464 1.00 0.00 H ATOM 587 H THR A 68 -3.087 14.461 -5.186 1.00 0.00 H ATOM 588 N LEU A 69 -3.305 17.126 -3.275 1.00 23.87 N ATOM 589 CA LEU A 69 -2.863 18.199 -2.404 1.00 23.23 C ATOM 590 C LEU A 69 -2.288 19.368 -3.212 1.00 22.86 C ATOM 591 O LEU A 69 -2.632 20.547 -2.961 1.00 21.84 O ATOM 592 CB LEU A 69 -1.826 17.681 -1.392 1.00 23.01 C ATOM 593 CG LEU A 69 -2.394 16.815 -0.254 1.00 25.01 C ATOM 594 CD1 LEU A 69 -1.279 16.284 0.574 1.00 26.25 C ATOM 595 CD2 LEU A 69 -3.381 17.606 0.630 1.00 26.68 C ATOM 596 H LEU A 69 -2.884 16.183 -3.150 1.00 0.00 H ATOM 597 N PHE A 70 -1.427 19.058 -4.172 1.00 22.12 N ATOM 598 CA PHE A 70 -0.810 20.126 -4.969 1.00 22.51 C ATOM 599 C PHE A 70 -1.864 20.826 -5.815 1.00 22.34 C ATOM 600 O PHE A 70 -1.772 22.018 -6.031 1.00 21.93 O ATOM 601 CB PHE A 70 0.331 19.584 -5.831 1.00 22.63 C ATOM 602 CG PHE A 70 1.583 19.235 -5.048 1.00 23.15 C ATOM 603 CD1 PHE A 70 2.218 20.185 -4.269 1.00 23.75 C ATOM 604 CD2 PHE A 70 2.137 17.965 -5.119 1.00 24.51 C ATOM 605 CE1 PHE A 70 3.390 19.873 -3.562 1.00 24.05 C ATOM 606 CE2 PHE A 70 3.301 17.641 -4.410 1.00 23.74 C ATOM 607 CZ PHE A 70 3.918 18.601 -3.630 1.00 24.16 C ATOM 608 H PHE A 70 -1.190 18.063 -4.360 1.00 0.00 H ATOM 609 N ALA A 71 -2.870 20.069 -6.257 1.00 22.50 N ATOM 610 CA ALA A 71 -3.988 20.609 -7.008 1.00 22.87 C ATOM 611 C ALA A 71 -4.803 21.545 -6.150 1.00 23.65 C ATOM 612 O ALA A 71 -5.251 22.602 -6.618 1.00 23.17 O ATOM 613 CB ALA A 71 -4.894 19.486 -7.527 1.00 22.92 C ATOM 614 H ALA A 71 -2.852 19.049 -6.055 1.00 0.00 H ATOM 615 N LEU A 72 -5.030 21.126 -4.909 1.00 24.22 N ATOM 616 CA LEU A 72 -5.817 21.928 -3.978 1.00 25.26 C ATOM 617 C LEU A 72 -5.106 23.234 -3.677 1.00 24.74 C ATOM 618 O LEU A 72 -5.739 24.256 -3.508 1.00 24.82 O ATOM 619 CB LEU A 72 -6.114 21.141 -2.695 1.00 25.73 C ATOM 620 CG LEU A 72 -7.129 19.985 -2.806 1.00 26.17 C ATOM 621 CD1 LEU A 72 -7.192 19.223 -1.500 1.00 25.71 C ATOM 622 CD2 LEU A 72 -8.516 20.497 -3.185 1.00 26.95 C ATOM 623 H LEU A 72 -4.641 20.213 -4.597 1.00 0.00 H ATOM 624 N ASP A 73 -3.785 23.195 -3.644 1.00 24.65 N ATOM 625 CA ASP A 73 -2.990 24.393 -3.471 1.00 25.05 C ATOM 626 C ASP A 73 -3.313 25.349 -4.615 1.00 25.00 C ATOM 627 O ASP A 73 -3.750 26.463 -4.373 1.00 25.67 O ATOM 628 CB ASP A 73 -1.478 24.066 -3.440 1.00 24.76 C ATOM 629 CG ASP A 73 -0.593 25.325 -3.484 1.00 25.01 C ATOM 630 OD1 ASP A 73 -1.071 26.408 -3.135 1.00 25.24 O ATOM 631 OD2 ASP A 73 0.593 25.237 -3.834 1.00 24.90 O ATOM 632 H ASP A 73 -3.303 22.279 -3.745 1.00 0.00 H ATOM 633 N ARG A 74 -3.104 24.908 -5.854 1.00 24.49 N ATOM 634 CA ARG A 74 -3.351 25.762 -7.023 1.00 24.32 C ATOM 635 C ARG A 74 -4.798 26.256 -7.104 1.00 25.20 C ATOM 636 O ARG A 74 -5.034 27.422 -7.468 1.00 24.81 O ATOM 637 CB ARG A 74 -2.955 25.061 -8.330 1.00 24.10 C ATOM 638 CG ARG A 74 -1.465 25.046 -8.564 1.00 23.56 C ATOM 639 CD ARG A 74 -1.103 24.339 -9.843 1.00 23.41 C ATOM 640 NE ARG A 74 -1.334 22.895 -9.750 1.00 22.88 N ATOM 641 CZ ARG A 74 -0.466 22.024 -9.256 1.00 21.95 C ATOM 642 NH1 ARG A 74 0.712 22.422 -8.777 1.00 22.65 N ATOM 643 NH2 ARG A 74 -0.782 20.744 -9.229 1.00 23.83 N ATOM 644 HE ARG A 74 -2.243 22.528 -10.096 1.00 0.00 H ATOM 645 HH12 ARG A 74 1.380 21.723 -8.393 1.00 0.00 H ATOM 646 HH11 ARG A 74 0.963 23.431 -8.787 1.00 0.00 H ATOM 647 HH22 ARG A 74 -0.110 20.050 -8.844 1.00 0.00 H ATOM 648 HH21 ARG A 74 -1.704 20.428 -9.593 1.00 0.00 H ATOM 649 H ARG A 74 -2.758 23.938 -5.997 1.00 0.00 H ATOM 650 N ALA A 75 -5.754 25.393 -6.755 1.00 24.86 N ATOM 651 CA ALA A 75 -7.170 25.761 -6.845 1.00 25.55 C ATOM 652 C ALA A 75 -7.488 26.869 -5.851 1.00 26.27 C ATOM 653 O ALA A 75 -8.386 27.658 -6.069 1.00 26.81 O ATOM 654 CB ALA A 75 -8.070 24.557 -6.594 1.00 25.19 C ATOM 655 H ALA A 75 -5.491 24.446 -6.414 1.00 0.00 H ATOM 656 N GLY A 76 -6.737 26.922 -4.761 1.00 26.41 N ATOM 657 CA GLY A 76 -6.891 27.976 -3.776 1.00 26.77 C ATOM 658 C GLY A 76 -6.510 29.338 -4.326 1.00 26.56 C ATOM 659 O GLY A 76 -7.046 30.366 -3.888 1.00 27.63 O ATOM 660 H GLY A 76 -6.017 26.188 -4.607 1.00 0.00 H ATOM 661 N ALA A 77 -5.586 29.348 -5.280 1.00 25.49 N ATOM 662 CA ALA A 77 -5.087 30.583 -5.871 1.00 24.88 C ATOM 663 C ALA A 77 -5.806 30.959 -7.154 1.00 24.59 C ATOM 664 O ALA A 77 -5.432 31.930 -7.799 1.00 24.34 O ATOM 665 CB ALA A 77 -3.569 30.487 -6.115 1.00 23.74 C ATOM 666 H ALA A 77 -5.205 28.441 -5.618 1.00 0.00 H ATOM 667 N VAL A 78 -6.848 30.222 -7.522 1.00 25.12 N ATOM 668 CA VAL A 78 -7.571 30.496 -8.783 1.00 25.76 C ATOM 669 C VAL A 78 -8.045 31.948 -8.933 1.00 26.46 C ATOM 670 O VAL A 78 -7.938 32.559 -10.026 1.00 26.73 O ATOM 671 CB VAL A 78 -8.750 29.505 -9.014 1.00 26.41 C ATOM 672 CG1 VAL A 78 -9.868 29.685 -7.975 1.00 27.96 C ATOM 673 CG2 VAL A 78 -9.300 29.650 -10.441 1.00 26.46 C ATOM 674 H VAL A 78 -7.161 29.439 -6.913 1.00 0.00 H ATOM 675 N HIS A 79 -8.534 32.531 -7.843 1.00 27.13 N ATOM 676 CA HIS A 79 -9.034 33.910 -7.908 1.00 27.60 C ATOM 677 C HIS A 79 -7.865 34.893 -8.000 1.00 27.45 C ATOM 678 O HIS A 79 -7.944 35.862 -8.764 1.00 27.39 O ATOM 679 CB HIS A 79 -9.972 34.206 -6.743 1.00 28.40 C ATOM 680 CG HIS A 79 -11.059 33.192 -6.599 1.00 29.01 C ATOM 681 ND1 HIS A 79 -12.040 33.017 -7.553 1.00 31.48 N ATOM 682 CD2 HIS A 79 -11.302 32.274 -5.634 1.00 29.69 C ATOM 683 CE1 HIS A 79 -12.846 32.039 -7.176 1.00 31.51 C ATOM 684 NE2 HIS A 79 -12.416 31.568 -6.018 1.00 31.46 N ATOM 685 H HIS A 79 -8.562 32.010 -6.943 1.00 0.00 H ATOM 686 N THR A 80 -6.776 34.617 -7.271 1.00 27.18 N ATOM 687 CA THR A 80 -5.540 35.399 -7.406 1.00 27.85 C ATOM 688 C THR A 80 -5.031 35.385 -8.864 1.00 27.67 C ATOM 689 O THR A 80 -4.735 36.438 -9.428 1.00 27.88 O ATOM 690 CB THR A 80 -4.385 34.925 -6.433 1.00 27.77 C ATOM 691 OG1 THR A 80 -4.823 34.968 -5.073 1.00 29.61 O ATOM 692 CG2 THR A 80 -3.159 35.841 -6.556 1.00 27.06 C ATOM 693 HG1 THR A 80 -4.088 34.669 -4.481 1.00 0.00 H ATOM 694 H THR A 80 -6.806 33.829 -6.592 1.00 0.00 H ATOM 695 N ILE A 81 -4.949 34.200 -9.473 1.00 27.51 N ATOM 696 CA ILE A 81 -4.490 34.074 -10.854 1.00 27.72 C ATOM 697 C ILE A 81 -5.380 34.860 -11.831 1.00 29.23 C ATOM 698 O ILE A 81 -4.886 35.601 -12.685 1.00 29.87 O ATOM 699 CB ILE A 81 -4.455 32.609 -11.332 1.00 26.69 C ATOM 700 CG1 ILE A 81 -3.385 31.801 -10.594 1.00 25.72 C ATOM 701 CG2 ILE A 81 -4.175 32.548 -12.831 1.00 26.59 C ATOM 702 CD1 ILE A 81 -3.430 30.312 -10.909 1.00 24.85 C ATOM 703 H ILE A 81 -5.219 33.343 -8.950 1.00 0.00 H ATOM 704 N GLN A 82 -6.688 34.691 -11.711 1.00 30.84 N ATOM 705 CA GLN A 82 -7.629 35.403 -12.568 1.00 32.17 C ATOM 706 C GLN A 82 -7.520 36.924 -12.327 1.00 33.36 C ATOM 707 O GLN A 82 -7.666 37.707 -13.267 1.00 34.33 O ATOM 708 CB GLN A 82 -9.070 34.854 -12.368 1.00 33.02 C ATOM 709 CG GLN A 82 -9.271 33.435 -12.982 1.00 33.76 C ATOM 710 CD GLN A 82 -10.648 32.756 -12.710 1.00 37.09 C ATOM 711 OE1 GLN A 82 -11.358 33.077 -11.754 1.00 40.31 O ATOM 712 NE2 GLN A 82 -10.987 31.781 -13.542 1.00 38.06 N ATOM 713 HE22 GLN A 82 -10.364 31.537 -14.338 1.00 0.00 H ATOM 714 HE21 GLN A 82 -11.876 31.260 -13.398 1.00 0.00 H ATOM 715 H GLN A 82 -7.052 34.036 -10.990 1.00 0.00 H ATOM 716 N GLY A 83 -7.229 37.339 -11.089 1.00 33.91 N ATOM 717 CA GLY A 83 -6.994 38.763 -10.777 1.00 34.94 C ATOM 718 C GLY A 83 -5.748 39.358 -11.442 1.00 35.10 C ATOM 719 O GLY A 83 -5.777 40.472 -11.975 1.00 35.16 O ATOM 720 H GLY A 83 -7.166 36.638 -10.323 1.00 0.00 H ATOM 721 N LEU A 84 -4.645 38.615 -11.408 1.00 34.58 N ATOM 722 CA LEU A 84 -3.414 39.043 -12.096 1.00 34.58 C ATOM 723 C LEU A 84 -3.608 39.101 -13.609 1.00 34.32 C ATOM 724 O LEU A 84 -3.102 40.015 -14.264 1.00 34.55 O ATOM 725 CB LEU A 84 -2.233 38.122 -11.738 1.00 33.55 C ATOM 726 CG LEU A 84 -1.818 38.149 -10.255 1.00 34.78 C ATOM 727 CD1 LEU A 84 -0.748 37.096 -9.941 1.00 32.80 C ATOM 728 CD2 LEU A 84 -1.377 39.573 -9.790 1.00 35.05 C ATOM 729 H LEU A 84 -4.652 37.715 -10.886 1.00 0.00 H ATOM 730 N CYS A 85 -4.363 38.157 -14.161 1.00 34.09 N ATOM 731 CA CYS A 85 -4.614 38.143 -15.602 1.00 34.81 C ATOM 732 C CYS A 85 -5.425 39.358 -16.068 1.00 36.92 C ATOM 733 O CYS A 85 -5.247 39.816 -17.203 1.00 36.89 O ATOM 734 CB CYS A 85 -5.264 36.827 -16.051 1.00 34.43 C ATOM 735 SG CYS A 85 -4.114 35.395 -15.962 1.00 31.34 S ATOM 736 H CYS A 85 -4.781 37.418 -13.560 1.00 0.00 H ATOM 737 N ARG A 86 -6.273 39.892 -15.182 1.00 38.25 N ATOM 738 CA ARG A 86 -6.977 41.153 -15.436 1.00 40.01 C ATOM 739 C ARG A 86 -6.074 42.359 -15.206 1.00 40.38 C ATOM 740 O ARG A 86 -6.188 43.374 -15.903 1.00 41.81 O ATOM 741 CB ARG A 86 -8.232 41.272 -14.550 1.00 41.19 C ATOM 742 CG ARG A 86 -9.315 40.234 -14.869 1.00 43.60 C ATOM 743 CD ARG A 86 -10.657 40.551 -14.180 1.00 48.98 C ATOM 744 NE ARG A 86 -10.573 40.486 -12.714 1.00 51.91 N ATOM 745 CZ ARG A 86 -10.604 39.362 -11.993 1.00 52.93 C ATOM 746 NH1 ARG A 86 -10.714 38.170 -12.580 1.00 53.26 N ATOM 747 NH2 ARG A 86 -10.519 39.431 -10.667 1.00 54.11 N ATOM 748 HE ARG A 86 -10.482 41.385 -12.198 1.00 0.00 H ATOM 749 HH12 ARG A 86 -10.736 37.306 -12.002 1.00 0.00 H ATOM 750 HH11 ARG A 86 -10.777 38.104 -13.616 1.00 0.00 H ATOM 751 HH22 ARG A 86 -10.542 38.560 -10.098 1.00 0.00 H ATOM 752 HH21 ARG A 86 -10.429 40.355 -10.199 1.00 0.00 H ATOM 753 H ARG A 86 -6.439 39.396 -14.283 1.00 0.00 H ATOM 754 N GLY A 87 -5.174 42.275 -14.233 1.00 39.59 N ATOM 755 CA GLY A 87 -4.390 43.463 -13.840 1.00 39.61 C ATOM 756 C GLY A 87 -3.104 43.738 -14.615 1.00 38.59 C ATOM 757 O GLY A 87 -2.514 44.815 -14.469 1.00 39.27 O ATOM 758 H GLY A 87 -5.021 41.369 -13.746 1.00 0.00 H ATOM 759 N TYR A 88 -2.658 42.766 -15.414 1.00 36.36 N ATOM 760 CA TYR A 88 -1.310 42.769 -15.984 1.00 35.07 C ATOM 761 C TYR A 88 -1.328 42.165 -17.394 1.00 34.07 C ATOM 762 O TYR A 88 -2.160 41.302 -17.710 1.00 33.16 O ATOM 763 CB TYR A 88 -0.368 41.955 -15.102 1.00 34.54 C ATOM 764 CG TYR A 88 -0.065 42.567 -13.757 1.00 34.46 C ATOM 765 CD1 TYR A 88 -0.898 42.342 -12.660 1.00 35.04 C ATOM 766 CD2 TYR A 88 1.072 43.343 -13.571 1.00 35.93 C ATOM 767 CE1 TYR A 88 -0.634 42.902 -11.419 1.00 35.27 C ATOM 768 CE2 TYR A 88 1.353 43.914 -12.329 1.00 38.48 C ATOM 769 CZ TYR A 88 0.492 43.692 -11.254 1.00 37.57 C ATOM 770 OH TYR A 88 0.771 44.268 -10.030 1.00 37.59 O ATOM 771 HH TYR A 88 1.651 43.948 -9.709 1.00 0.00 H ATOM 772 H TYR A 88 -3.294 41.975 -15.641 1.00 0.00 H ATOM 773 N ASP A 89 -0.420 42.626 -18.251 1.00 33.26 N ATOM 774 CA ASP A 89 -0.374 42.130 -19.617 1.00 32.32 C ATOM 775 C ASP A 89 0.027 40.643 -19.648 1.00 30.55 C ATOM 776 O ASP A 89 -0.508 39.865 -20.434 1.00 29.86 O ATOM 777 CB ASP A 89 0.601 42.945 -20.452 1.00 32.95 C ATOM 778 CG ASP A 89 0.255 44.442 -20.493 1.00 34.37 C ATOM 779 OD1 ASP A 89 -0.921 44.797 -20.725 1.00 33.68 O ATOM 780 OD2 ASP A 89 1.189 45.258 -20.315 1.00 33.74 O ATOM 781 H ASP A 89 0.262 43.347 -17.941 1.00 0.00 H ATOM 782 N VAL A 90 0.960 40.273 -18.778 1.00 29.38 N ATOM 783 CA VAL A 90 1.524 38.932 -18.737 1.00 28.12 C ATOM 784 C VAL A 90 1.633 38.470 -17.283 1.00 27.38 C ATOM 785 O VAL A 90 2.139 39.193 -16.425 1.00 27.34 O ATOM 786 CB VAL A 90 2.928 38.923 -19.386 1.00 28.40 C ATOM 787 CG1 VAL A 90 3.586 37.552 -19.241 1.00 27.69 C ATOM 788 CG2 VAL A 90 2.847 39.349 -20.860 1.00 26.62 C ATOM 789 H VAL A 90 1.304 40.976 -18.093 1.00 0.00 H ATOM 790 N VAL A 91 1.113 37.281 -17.015 1.00 26.04 N ATOM 791 CA VAL A 91 1.239 36.642 -15.727 1.00 24.76 C ATOM 792 C VAL A 91 2.142 35.410 -15.921 1.00 23.92 C ATOM 793 O VAL A 91 1.821 34.541 -16.697 1.00 23.99 O ATOM 794 CB VAL A 91 -0.142 36.245 -15.182 1.00 25.02 C ATOM 795 CG1 VAL A 91 0.001 35.533 -13.839 1.00 21.86 C ATOM 796 CG2 VAL A 91 -1.062 37.496 -15.069 1.00 25.05 C ATOM 797 H VAL A 91 0.591 36.786 -17.766 1.00 0.00 H ATOM 798 N ILE A 92 3.298 35.368 -15.256 1.00 23.96 N ATOM 799 CA ILE A 92 4.194 34.199 -15.346 1.00 23.16 C ATOM 800 C ILE A 92 4.118 33.361 -14.065 1.00 22.92 C ATOM 801 O ILE A 92 4.315 33.892 -12.972 1.00 23.23 O ATOM 802 CB ILE A 92 5.641 34.614 -15.632 1.00 23.15 C ATOM 803 CG1 ILE A 92 5.702 35.577 -16.828 1.00 23.92 C ATOM 804 CG2 ILE A 92 6.513 33.384 -15.949 1.00 22.29 C ATOM 805 CD1 ILE A 92 7.056 36.383 -16.917 1.00 25.18 C ATOM 806 H ILE A 92 3.573 36.176 -14.662 1.00 0.00 H ATOM 807 N LEU A 93 3.823 32.062 -14.209 1.00 22.20 N ATOM 808 CA LEU A 93 3.763 31.121 -13.085 1.00 21.48 C ATOM 809 C LEU A 93 4.990 30.242 -13.084 1.00 21.36 C ATOM 810 O LEU A 93 5.282 29.570 -14.074 1.00 22.01 O ATOM 811 CB LEU A 93 2.503 30.230 -13.159 1.00 21.51 C ATOM 812 CG LEU A 93 1.164 30.969 -13.321 1.00 21.04 C ATOM 813 CD1 LEU A 93 0.003 29.998 -13.415 1.00 21.30 C ATOM 814 CD2 LEU A 93 0.955 31.944 -12.166 1.00 20.17 C ATOM 815 H LEU A 93 3.627 31.703 -15.165 1.00 0.00 H ATOM 816 N ASP A 94 5.740 30.272 -11.983 1.00 21.37 N ATOM 817 CA ASP A 94 6.849 29.355 -11.767 1.00 20.64 C ATOM 818 C ASP A 94 6.237 28.031 -11.237 1.00 19.90 C ATOM 819 O ASP A 94 5.937 27.902 -10.064 1.00 18.66 O ATOM 820 CB ASP A 94 7.826 29.991 -10.788 1.00 21.27 C ATOM 821 CG ASP A 94 9.072 29.175 -10.563 1.00 22.94 C ATOM 822 OD1 ASP A 94 9.117 27.961 -10.830 1.00 24.22 O ATOM 823 OD2 ASP A 94 10.035 29.786 -10.088 1.00 30.02 O ATOM 824 H ASP A 94 5.525 30.978 -11.250 1.00 0.00 H ATOM 825 N ARG A 95 6.095 27.066 -12.144 1.00 19.47 N ATOM 826 CA ARG A 95 5.269 25.851 -11.990 1.00 19.84 C ATOM 827 C ARG A 95 3.767 26.080 -12.070 1.00 20.05 C ATOM 828 O ARG A 95 3.224 27.048 -11.503 1.00 21.22 O ATOM 829 CB ARG A 95 5.562 25.092 -10.706 1.00 19.69 C ATOM 830 CG ARG A 95 6.999 24.653 -10.560 1.00 20.36 C ATOM 831 CD ARG A 95 7.088 23.542 -9.528 1.00 19.41 C ATOM 832 NE ARG A 95 8.417 22.972 -9.502 1.00 20.39 N ATOM 833 CZ ARG A 95 8.875 22.107 -10.393 1.00 18.43 C ATOM 834 NH1 ARG A 95 8.100 21.717 -11.387 1.00 17.58 N ATOM 835 NH2 ARG A 95 10.114 21.658 -10.297 1.00 17.44 N ATOM 836 HE ARG A 95 9.055 23.261 -8.733 1.00 0.00 H ATOM 837 HH12 ARG A 95 8.457 21.037 -12.089 1.00 0.00 H ATOM 838 HH11 ARG A 95 7.132 22.089 -11.469 1.00 0.00 H ATOM 839 HH22 ARG A 95 10.476 20.978 -10.996 1.00 0.00 H ATOM 840 HH21 ARG A 95 10.727 21.984 -9.523 1.00 0.00 H ATOM 841 H ARG A 95 6.611 27.178 -13.040 1.00 0.00 H ATOM 842 N TYR A 96 3.078 25.152 -12.718 1.00 18.99 N ATOM 843 CA TYR A 96 1.639 25.197 -12.762 1.00 18.87 C ATOM 844 C TYR A 96 1.126 23.754 -12.846 1.00 19.17 C ATOM 845 O TYR A 96 1.795 22.825 -12.372 1.00 19.46 O ATOM 846 CB TYR A 96 1.198 26.104 -13.924 1.00 18.75 C ATOM 847 CG TYR A 96 -0.257 26.572 -13.922 1.00 18.68 C ATOM 848 CD1 TYR A 96 -0.893 26.973 -12.757 1.00 20.93 C ATOM 849 CD2 TYR A 96 -0.987 26.617 -15.100 1.00 19.66 C ATOM 850 CE1 TYR A 96 -2.227 27.391 -12.760 1.00 21.66 C ATOM 851 CE2 TYR A 96 -2.330 27.033 -15.113 1.00 22.01 C ATOM 852 CZ TYR A 96 -2.938 27.429 -13.935 1.00 22.88 C ATOM 853 OH TYR A 96 -4.265 27.839 -13.942 1.00 24.46 O ATOM 854 HH TYR A 96 -4.836 27.100 -14.270 1.00 0.00 H ATOM 855 H TYR A 96 3.583 24.381 -13.201 1.00 0.00 H ATOM 856 N VAL A 97 -0.034 23.568 -13.462 1.00 19.19 N ATOM 857 CA VAL A 97 -0.700 22.298 -13.522 1.00 18.88 C ATOM 858 C VAL A 97 0.142 21.179 -14.160 1.00 19.92 C ATOM 859 O VAL A 97 0.027 20.008 -13.749 1.00 19.63 O ATOM 860 CB VAL A 97 -2.058 22.446 -14.308 1.00 20.06 C ATOM 861 CG1 VAL A 97 -2.828 21.122 -14.340 1.00 18.18 C ATOM 862 CG2 VAL A 97 -2.949 23.581 -13.718 1.00 17.48 C ATOM 863 H VAL A 97 -0.484 24.384 -13.925 1.00 0.00 H ATOM 864 N ALA A 98 0.976 21.507 -15.158 1.00 19.53 N ATOM 865 CA ALA A 98 1.767 20.450 -15.839 1.00 19.92 C ATOM 866 C ALA A 98 2.808 19.799 -14.932 1.00 19.77 C ATOM 867 O ALA A 98 3.255 18.683 -15.203 1.00 19.89 O ATOM 868 CB ALA A 98 2.438 20.986 -17.107 1.00 19.47 C ATOM 869 H ALA A 98 1.069 22.500 -15.454 1.00 0.00 H ATOM 870 N SER A 99 3.203 20.492 -13.867 1.00 19.90 N ATOM 871 CA SER A 99 4.084 19.901 -12.878 1.00 20.16 C ATOM 872 C SER A 99 3.415 18.661 -12.308 1.00 21.28 C ATOM 873 O SER A 99 4.060 17.620 -12.064 1.00 21.93 O ATOM 874 CB SER A 99 4.394 20.889 -11.740 1.00 20.60 C ATOM 875 OG SER A 99 5.421 21.760 -12.120 1.00 17.59 O ATOM 876 HG SER A 99 5.141 22.268 -12.923 1.00 0.00 H ATOM 877 H SER A 99 2.875 21.471 -13.742 1.00 0.00 H ATOM 878 N ASN A 100 2.107 18.756 -12.113 1.00 21.09 N ATOM 879 CA ASN A 100 1.376 17.632 -11.541 1.00 20.62 C ATOM 880 C ASN A 100 1.332 16.487 -12.567 1.00 20.98 C ATOM 881 O ASN A 100 1.535 15.333 -12.217 1.00 20.39 O ATOM 882 CB ASN A 100 -0.026 18.071 -11.100 1.00 20.13 C ATOM 883 CG ASN A 100 -0.541 17.316 -9.864 1.00 21.48 C ATOM 884 OD1 ASN A 100 0.200 16.585 -9.209 1.00 19.80 O ATOM 885 ND2 ASN A 100 -1.817 17.526 -9.530 1.00 21.75 N ATOM 886 HD22 ASN A 100 -2.410 18.152 -10.111 1.00 0.00 H ATOM 887 HD21 ASN A 100 -2.217 17.064 -8.689 1.00 0.00 H ATOM 888 H ASN A 100 1.604 19.630 -12.367 1.00 0.00 H ATOM 889 N ALA A 101 1.123 16.800 -13.845 1.00 20.87 N ATOM 890 CA ALA A 101 1.085 15.719 -14.866 1.00 20.92 C ATOM 891 C ALA A 101 2.435 15.023 -15.000 1.00 20.88 C ATOM 892 O ALA A 101 2.510 13.811 -14.972 1.00 21.95 O ATOM 893 CB ALA A 101 0.613 16.239 -16.212 1.00 20.76 C ATOM 894 H ALA A 101 0.988 17.792 -14.126 1.00 0.00 H ATOM 895 N ALA A 102 3.508 15.788 -15.105 1.00 20.82 N ATOM 896 CA ALA A 102 4.835 15.223 -15.288 1.00 21.13 C ATOM 897 C ALA A 102 5.357 14.433 -14.076 1.00 21.80 C ATOM 898 O ALA A 102 5.920 13.331 -14.260 1.00 22.10 O ATOM 899 CB ALA A 102 5.834 16.314 -15.668 1.00 20.62 C ATOM 900 H ALA A 102 3.400 16.821 -15.055 1.00 0.00 H ATOM 901 N TYR A 103 5.249 14.995 -12.868 1.00 21.07 N ATOM 902 CA TYR A 103 5.752 14.291 -11.678 1.00 21.99 C ATOM 903 C TYR A 103 4.909 13.057 -11.330 1.00 22.81 C ATOM 904 O TYR A 103 5.446 12.035 -10.926 1.00 22.95 O ATOM 905 CB TYR A 103 5.894 15.215 -10.463 1.00 22.30 C ATOM 906 CG TYR A 103 7.140 16.079 -10.497 1.00 21.90 C ATOM 907 CD1 TYR A 103 7.170 17.236 -11.248 1.00 20.76 C ATOM 908 CD2 TYR A 103 8.280 15.723 -9.798 1.00 22.34 C ATOM 909 CE1 TYR A 103 8.272 18.018 -11.307 1.00 20.28 C ATOM 910 CE2 TYR A 103 9.415 16.515 -9.858 1.00 22.49 C ATOM 911 CZ TYR A 103 9.391 17.664 -10.628 1.00 20.41 C ATOM 912 OH TYR A 103 10.488 18.483 -10.727 1.00 23.23 O ATOM 913 HH TYR A 103 10.275 19.248 -11.319 1.00 0.00 H ATOM 914 H TYR A 103 4.808 15.932 -12.769 1.00 0.00 H ATOM 915 N SER A 104 3.597 13.126 -11.528 1.00 22.94 N ATOM 916 CA SER A 104 2.733 11.964 -11.255 1.00 22.88 C ATOM 917 C SER A 104 2.919 10.824 -12.282 1.00 24.18 C ATOM 918 O SER A 104 3.052 9.654 -11.905 1.00 24.88 O ATOM 919 CB SER A 104 1.278 12.404 -11.197 1.00 22.88 C ATOM 920 OG SER A 104 1.091 13.414 -10.198 1.00 22.34 O ATOM 921 HG SER A 104 1.654 14.199 -10.415 1.00 0.00 H ATOM 922 H SER A 104 3.175 14.009 -11.879 1.00 0.00 H ATOM 923 N ALA A 105 2.904 11.161 -13.572 1.00 24.26 N ATOM 924 CA ALA A 105 3.169 10.195 -14.651 1.00 25.02 C ATOM 925 C ALA A 105 4.526 9.511 -14.468 1.00 25.77 C ATOM 926 O ALA A 105 4.615 8.277 -14.465 1.00 26.52 O ATOM 927 CB ALA A 105 3.121 10.879 -15.995 1.00 24.74 C ATOM 928 H ALA A 105 2.696 12.148 -13.827 1.00 0.00 H ATOM 929 N ALA A 106 5.570 10.318 -14.321 1.00 25.61 N ATOM 930 CA ALA A 106 6.917 9.802 -14.088 1.00 27.29 C ATOM 931 C ALA A 106 6.952 8.791 -12.944 1.00 28.57 C ATOM 932 O ALA A 106 7.541 7.716 -13.087 1.00 29.83 O ATOM 933 CB ALA A 106 7.918 10.942 -13.826 1.00 26.14 C ATOM 934 H ALA A 106 5.425 11.347 -14.373 1.00 0.00 H ATOM 935 N ARG A 107 6.347 9.138 -11.813 1.00 29.18 N ATOM 936 CA ARG A 107 6.335 8.241 -10.651 1.00 30.89 C ATOM 937 C ARG A 107 5.631 6.942 -10.969 1.00 31.10 C ATOM 938 O ARG A 107 6.076 5.881 -10.552 1.00 31.91 O ATOM 939 CB ARG A 107 5.654 8.898 -9.439 1.00 31.45 C ATOM 940 CG ARG A 107 6.615 9.386 -8.363 1.00 35.10 C ATOM 941 CD ARG A 107 6.570 8.513 -7.103 1.00 40.09 C ATOM 942 NE ARG A 107 5.959 9.244 -5.999 1.00 44.41 N ATOM 943 CZ ARG A 107 5.418 8.695 -4.911 1.00 49.07 C ATOM 944 NH1 ARG A 107 5.389 7.377 -4.737 1.00 50.72 N ATOM 945 NH2 ARG A 107 4.872 9.486 -3.987 1.00 50.24 N ATOM 946 HE ARG A 107 5.944 10.282 -6.066 1.00 0.00 H ATOM 947 HH12 ARG A 107 4.961 6.975 -3.879 1.00 0.00 H ATOM 948 HH11 ARG A 107 5.795 6.748 -5.459 1.00 0.00 H ATOM 949 HH22 ARG A 107 4.446 9.072 -3.133 1.00 0.00 H ATOM 950 HH21 ARG A 107 4.872 10.517 -4.120 1.00 0.00 H ATOM 951 H ARG A 107 5.873 10.062 -11.750 1.00 0.00 H ATOM 952 N LEU A 108 4.539 7.039 -11.724 1.00 30.63 N ATOM 953 CA LEU A 108 3.744 5.890 -12.084 1.00 31.43 C ATOM 954 C LEU A 108 4.238 5.178 -13.365 1.00 32.48 C ATOM 955 O LEU A 108 3.592 4.249 -13.831 1.00 33.07 O ATOM 956 CB LEU A 108 2.292 6.330 -12.261 1.00 31.00 C ATOM 957 CG LEU A 108 1.620 6.898 -11.002 1.00 30.45 C ATOM 958 CD1 LEU A 108 0.369 7.658 -11.395 1.00 29.12 C ATOM 959 CD2 LEU A 108 1.304 5.778 -10.013 1.00 28.38 C ATOM 960 H LEU A 108 4.248 7.977 -12.067 1.00 0.00 H ATOM 961 N HIS A 109 5.351 5.616 -13.944 1.00 32.36 N ATOM 962 CA HIS A 109 5.897 4.968 -15.127 1.00 34.09 C ATOM 963 C HIS A 109 4.848 4.953 -16.224 1.00 33.74 C ATOM 964 O HIS A 109 4.715 3.971 -16.953 1.00 34.88 O ATOM 965 CB HIS A 109 6.379 3.539 -14.807 1.00 36.09 C ATOM 966 CG HIS A 109 7.668 3.489 -14.049 1.00 39.02 C ATOM 967 ND1 HIS A 109 8.722 2.688 -14.429 1.00 44.40 N ATOM 968 CD2 HIS A 109 8.075 4.141 -12.937 1.00 42.21 C ATOM 969 CE1 HIS A 109 9.722 2.847 -13.579 1.00 44.63 C ATOM 970 NE2 HIS A 109 9.357 3.725 -12.665 1.00 41.98 N ATOM 971 H HIS A 109 5.843 6.440 -13.543 1.00 0.00 H ATOM 972 N GLU A 110 4.094 6.049 -16.310 1.00 32.18 N ATOM 973 CA GLU A 110 3.130 6.273 -17.363 1.00 32.27 C ATOM 974 C GLU A 110 3.674 7.311 -18.342 1.00 32.07 C ATOM 975 O GLU A 110 4.615 8.055 -18.040 1.00 30.95 O ATOM 976 CB GLU A 110 1.804 6.792 -16.779 1.00 31.43 C ATOM 977 CG GLU A 110 1.048 5.784 -15.897 1.00 32.77 C ATOM 978 CD GLU A 110 -0.285 6.314 -15.360 1.00 31.83 C ATOM 979 OE1 GLU A 110 -0.709 7.444 -15.727 1.00 29.18 O ATOM 980 OE2 GLU A 110 -0.910 5.582 -14.560 1.00 32.16 O ATOM 981 H GLU A 110 4.205 6.782 -15.580 1.00 0.00 H ATOM 982 N ASN A 111 3.070 7.359 -19.521 1.00 32.95 N ATOM 983 CA ASN A 111 3.377 8.418 -20.467 1.00 33.17 C ATOM 984 C ASN A 111 2.324 9.535 -20.425 1.00 32.96 C ATOM 985 O ASN A 111 1.282 9.406 -19.773 1.00 33.56 O ATOM 986 CB ASN A 111 3.645 7.859 -21.898 1.00 34.07 C ATOM 987 CG ASN A 111 2.412 7.294 -22.588 1.00 34.92 C ATOM 988 OD1 ASN A 111 1.274 7.680 -22.300 1.00 35.83 O ATOM 989 ND2 ASN A 111 2.646 6.379 -23.547 1.00 34.83 N ATOM 990 HD22 ASN A 111 3.621 6.083 -23.757 1.00 0.00 H ATOM 991 HD21 ASN A 111 1.852 5.968 -24.078 1.00 0.00 H ATOM 992 H ASN A 111 2.370 6.632 -19.771 1.00 0.00 H ATOM 993 N ALA A 112 2.617 10.621 -21.128 1.00 32.99 N ATOM 994 CA ALA A 112 1.753 11.782 -21.223 1.00 32.47 C ATOM 995 C ALA A 112 0.364 11.452 -21.739 1.00 33.23 C ATOM 996 O ALA A 112 -0.572 12.183 -21.462 1.00 33.28 O ATOM 997 CB ALA A 112 2.406 12.837 -22.111 1.00 32.36 C ATOM 998 H ALA A 112 3.521 10.641 -21.642 1.00 0.00 H ATOM 999 N ALA A 113 0.212 10.367 -22.486 1.00 34.46 N ATOM 1000 CA ALA A 113 -1.128 9.921 -22.901 1.00 35.50 C ATOM 1001 C ALA A 113 -1.774 9.015 -21.847 1.00 35.86 C ATOM 1002 O ALA A 113 -2.886 8.505 -22.039 1.00 36.71 O ATOM 1003 CB ALA A 113 -1.057 9.187 -24.250 1.00 36.93 C ATOM 1004 H ALA A 113 1.049 9.825 -22.782 1.00 0.00 H ATOM 1005 N GLY A 114 -1.075 8.800 -20.738 1.00 35.33 N ATOM 1006 CA GLY A 114 -1.546 7.879 -19.712 1.00 35.28 C ATOM 1007 C GLY A 114 -2.666 8.446 -18.861 1.00 34.29 C ATOM 1008 O GLY A 114 -3.147 9.557 -19.081 1.00 32.90 O ATOM 1009 H GLY A 114 -0.173 9.299 -20.599 1.00 0.00 H ATOM 1010 N LYS A 115 -3.052 7.662 -17.860 1.00 34.25 N ATOM 1011 CA LYS A 115 -4.212 7.957 -17.030 1.00 33.45 C ATOM 1012 C LYS A 115 -4.013 9.159 -16.102 1.00 31.46 C ATOM 1013 O LYS A 115 -4.887 10.004 -15.980 1.00 31.07 O ATOM 1014 CB LYS A 115 -4.563 6.715 -16.204 1.00 34.22 C ATOM 1015 CG LYS A 115 -4.985 5.509 -17.046 1.00 36.04 C ATOM 1016 H LYS A 115 -2.503 6.802 -17.661 1.00 0.00 H ATOM 1017 N ALA A 116 -2.862 9.213 -15.443 1.00 30.18 N ATOM 1018 CA ALA A 116 -2.568 10.254 -14.468 1.00 28.68 C ATOM 1019 C ALA A 116 -2.603 11.627 -15.113 1.00 27.68 C ATOM 1020 O ALA A 116 -3.191 12.564 -14.563 1.00 25.86 O ATOM 1021 CB ALA A 116 -1.213 10.018 -13.809 1.00 27.72 C ATOM 1022 H ALA A 116 -2.143 8.485 -15.630 1.00 0.00 H ATOM 1023 N ALA A 117 -1.952 11.749 -16.266 1.00 27.51 N ATOM 1024 CA ALA A 117 -1.865 13.048 -16.941 1.00 26.96 C ATOM 1025 C ALA A 117 -3.247 13.517 -17.360 1.00 27.59 C ATOM 1026 O ALA A 117 -3.548 14.709 -17.272 1.00 28.13 O ATOM 1027 CB ALA A 117 -0.965 12.964 -18.120 1.00 27.38 C ATOM 1028 H ALA A 117 -1.500 10.915 -16.693 1.00 0.00 H ATOM 1029 N ALA A 118 -4.094 12.577 -17.782 1.00 28.10 N ATOM 1030 CA ALA A 118 -5.472 12.892 -18.153 1.00 28.76 C ATOM 1031 C ALA A 118 -6.290 13.323 -16.924 1.00 28.55 C ATOM 1032 O ALA A 118 -7.021 14.317 -16.961 1.00 27.84 O ATOM 1033 CB ALA A 118 -6.122 11.662 -18.866 1.00 29.86 C ATOM 1034 H ALA A 118 -3.765 11.593 -17.849 1.00 0.00 H ATOM 1035 N TRP A 119 -6.131 12.566 -15.834 1.00 28.86 N ATOM 1036 CA TRP A 119 -6.764 12.840 -14.547 1.00 28.40 C ATOM 1037 C TRP A 119 -6.469 14.254 -14.081 1.00 27.12 C ATOM 1038 O TRP A 119 -7.373 15.016 -13.758 1.00 27.43 O ATOM 1039 CB TRP A 119 -6.260 11.820 -13.516 1.00 28.83 C ATOM 1040 CG TRP A 119 -6.826 12.003 -12.145 1.00 29.98 C ATOM 1041 CD1 TRP A 119 -8.017 11.550 -11.698 1.00 31.69 C ATOM 1042 CD2 TRP A 119 -6.210 12.682 -11.040 1.00 32.01 C ATOM 1043 NE1 TRP A 119 -8.196 11.901 -10.390 1.00 33.88 N ATOM 1044 CE2 TRP A 119 -7.101 12.600 -9.958 1.00 32.96 C ATOM 1045 CE3 TRP A 119 -4.997 13.363 -10.866 1.00 31.56 C ATOM 1046 CZ2 TRP A 119 -6.819 13.164 -8.709 1.00 32.54 C ATOM 1047 CZ3 TRP A 119 -4.719 13.921 -9.630 1.00 31.81 C ATOM 1048 CH2 TRP A 119 -5.627 13.822 -8.570 1.00 31.86 C ATOM 1049 HE1 TRP A 119 -9.031 11.673 -9.814 1.00 0.00 H ATOM 1050 H TRP A 119 -5.518 11.729 -15.907 1.00 0.00 H ATOM 1051 N VAL A 120 -5.195 14.616 -14.078 1.00 26.34 N ATOM 1052 CA VAL A 120 -4.788 15.980 -13.734 1.00 25.54 C ATOM 1053 C VAL A 120 -5.589 17.017 -14.500 1.00 26.44 C ATOM 1054 O VAL A 120 -6.104 17.960 -13.903 1.00 27.18 O ATOM 1055 CB VAL A 120 -3.294 16.213 -13.988 1.00 24.47 C ATOM 1056 CG1 VAL A 120 -2.965 17.708 -13.922 1.00 23.30 C ATOM 1057 CG2 VAL A 120 -2.463 15.408 -13.003 1.00 21.86 C ATOM 1058 H VAL A 120 -4.467 13.916 -14.326 1.00 0.00 H ATOM 1059 N GLN A 121 -5.705 16.854 -15.806 1.00 27.96 N ATOM 1060 CA GLN A 121 -6.551 17.754 -16.598 1.00 29.87 C ATOM 1061 C GLN A 121 -7.996 17.827 -16.140 1.00 30.78 C ATOM 1062 O GLN A 121 -8.538 18.929 -16.002 1.00 31.03 O ATOM 1063 CB GLN A 121 -6.546 17.376 -18.087 1.00 31.05 C ATOM 1064 CG GLN A 121 -5.312 17.820 -18.833 1.00 33.19 C ATOM 1065 CD GLN A 121 -5.586 18.163 -20.288 1.00 38.03 C ATOM 1066 OE1 GLN A 121 -4.998 17.583 -21.202 1.00 41.29 O ATOM 1067 NE2 GLN A 121 -6.471 19.121 -20.505 1.00 41.94 N ATOM 1068 HE22 GLN A 121 -6.944 19.584 -19.703 1.00 0.00 H ATOM 1069 HE21 GLN A 121 -6.694 19.412 -21.478 1.00 0.00 H ATOM 1070 H GLN A 121 -5.192 16.081 -16.277 1.00 0.00 H ATOM 1071 N ARG A 122 -8.629 16.661 -15.967 1.00 31.63 N ATOM 1072 CA ARG A 122 -10.008 16.599 -15.495 1.00 32.84 C ATOM 1073 C ARG A 122 -10.151 17.343 -14.176 1.00 32.03 C ATOM 1074 O ARG A 122 -11.122 18.072 -13.963 1.00 33.08 O ATOM 1075 CB ARG A 122 -10.481 15.146 -15.272 1.00 33.78 C ATOM 1076 CG ARG A 122 -10.886 14.411 -16.534 1.00 36.23 C ATOM 1077 CD ARG A 122 -11.748 13.171 -16.229 1.00 37.78 C ATOM 1078 NE ARG A 122 -11.062 12.192 -15.381 1.00 37.85 N ATOM 1079 CZ ARG A 122 -10.125 11.334 -15.797 1.00 38.63 C ATOM 1080 NH1 ARG A 122 -9.709 11.306 -17.067 1.00 39.52 N ATOM 1081 NH2 ARG A 122 -9.590 10.492 -14.929 1.00 38.11 N ATOM 1082 HE ARG A 122 -11.325 12.162 -14.375 1.00 0.00 H ATOM 1083 HH12 ARG A 122 -8.978 10.627 -17.360 1.00 0.00 H ATOM 1084 HH11 ARG A 122 -10.116 11.964 -17.762 1.00 0.00 H ATOM 1085 HH22 ARG A 122 -8.860 9.819 -15.239 1.00 0.00 H ATOM 1086 HH21 ARG A 122 -9.899 10.503 -13.936 1.00 0.00 H ATOM 1087 H ARG A 122 -8.125 15.775 -16.174 1.00 0.00 H ATOM 1088 N ILE A 123 -9.191 17.135 -13.283 1.00 30.77 N ATOM 1089 CA ILE A 123 -9.323 17.641 -11.938 1.00 30.04 C ATOM 1090 C ILE A 123 -8.999 19.130 -11.866 1.00 28.56 C ATOM 1091 O ILE A 123 -9.772 19.911 -11.310 1.00 28.05 O ATOM 1092 CB ILE A 123 -8.467 16.820 -10.960 1.00 30.25 C ATOM 1093 CG1 ILE A 123 -9.004 15.388 -10.850 1.00 31.65 C ATOM 1094 CG2 ILE A 123 -8.414 17.474 -9.578 1.00 30.96 C ATOM 1095 CD1 ILE A 123 -10.389 15.251 -10.240 1.00 33.55 C ATOM 1096 H ILE A 123 -8.339 16.604 -13.554 1.00 0.00 H ATOM 1097 N GLU A 124 -7.874 19.545 -12.428 1.00 27.29 N ATOM 1098 CA GLU A 124 -7.452 20.936 -12.237 1.00 26.47 C ATOM 1099 C GLU A 124 -8.138 21.904 -13.171 1.00 27.30 C ATOM 1100 O GLU A 124 -8.593 22.953 -12.730 1.00 26.77 O ATOM 1101 CB GLU A 124 -5.935 21.075 -12.316 1.00 25.01 C ATOM 1102 CG GLU A 124 -5.259 20.215 -11.283 1.00 23.03 C ATOM 1103 CD GLU A 124 -3.899 20.694 -10.868 1.00 21.73 C ATOM 1104 OE1 GLU A 124 -3.750 21.907 -10.618 1.00 20.76 O ATOM 1105 OE2 GLU A 124 -2.984 19.836 -10.735 1.00 22.46 O ATOM 1106 H GLU A 124 -7.298 18.893 -12.997 1.00 0.00 H ATOM 1107 N PHE A 125 -8.222 21.560 -14.450 1.00 28.04 N ATOM 1108 CA PHE A 125 -8.805 22.483 -15.412 1.00 29.46 C ATOM 1109 C PHE A 125 -10.337 22.367 -15.435 1.00 31.48 C ATOM 1110 O PHE A 125 -11.037 23.377 -15.366 1.00 32.44 O ATOM 1111 CB PHE A 125 -8.264 22.266 -16.829 1.00 29.17 C ATOM 1112 CG PHE A 125 -6.792 22.513 -16.995 1.00 26.52 C ATOM 1113 CD1 PHE A 125 -6.178 23.657 -16.480 1.00 26.09 C ATOM 1114 CD2 PHE A 125 -6.025 21.633 -17.751 1.00 25.40 C ATOM 1115 CE1 PHE A 125 -4.826 23.889 -16.677 1.00 23.72 C ATOM 1116 CE2 PHE A 125 -4.662 21.862 -17.966 1.00 23.10 C ATOM 1117 CZ PHE A 125 -4.062 22.986 -17.433 1.00 23.95 C ATOM 1118 H PHE A 125 -7.872 20.632 -14.764 1.00 0.00 H ATOM 1119 N ALA A 126 -10.862 21.152 -15.543 1.00 32.98 N ATOM 1120 CA ALA A 126 -12.318 20.975 -15.723 1.00 34.62 C ATOM 1121 C ALA A 126 -13.050 21.154 -14.396 1.00 35.37 C ATOM 1122 O ALA A 126 -13.815 22.107 -14.216 1.00 37.15 O ATOM 1123 CB ALA A 126 -12.625 19.614 -16.342 1.00 34.89 C ATOM 1124 H ALA A 126 -10.243 20.317 -15.501 1.00 0.00 H ATOM 1125 N ARG A 127 -12.784 20.268 -13.446 1.00 35.05 N ATOM 1126 CA ARG A 127 -13.441 20.324 -12.130 1.00 35.22 C ATOM 1127 C ARG A 127 -13.123 21.572 -11.290 1.00 34.62 C ATOM 1128 O ARG A 127 -14.038 22.313 -10.868 1.00 35.66 O ATOM 1129 CB ARG A 127 -13.065 19.067 -11.363 1.00 35.07 C ATOM 1130 CG ARG A 127 -13.781 18.872 -10.070 1.00 36.80 C ATOM 1131 CD ARG A 127 -13.473 17.496 -9.532 1.00 37.05 C ATOM 1132 NE ARG A 127 -14.430 17.120 -8.513 1.00 39.43 N ATOM 1133 CZ ARG A 127 -14.681 15.873 -8.122 1.00 40.16 C ATOM 1134 NH1 ARG A 127 -14.054 14.832 -8.669 1.00 38.12 N ATOM 1135 NH2 ARG A 127 -15.591 15.673 -7.184 1.00 42.06 N ATOM 1136 HE ARG A 127 -14.963 17.884 -8.050 1.00 0.00 H ATOM 1137 HH12 ARG A 127 -14.268 13.867 -8.345 1.00 0.00 H ATOM 1138 HH11 ARG A 127 -13.350 14.984 -9.419 1.00 0.00 H ATOM 1139 HH22 ARG A 127 -15.803 14.707 -6.863 1.00 0.00 H ATOM 1140 HH21 ARG A 127 -16.094 16.482 -6.767 1.00 0.00 H ATOM 1141 H ARG A 127 -12.093 19.514 -13.636 1.00 0.00 H ATOM 1142 N LEU A 128 -11.834 21.810 -11.054 1.00 32.76 N ATOM 1143 CA LEU A 128 -11.392 22.888 -10.165 1.00 31.96 C ATOM 1144 C LEU A 128 -11.386 24.257 -10.860 1.00 31.61 C ATOM 1145 O LEU A 128 -11.272 25.294 -10.207 1.00 31.92 O ATOM 1146 CB LEU A 128 -10.027 22.546 -9.530 1.00 31.06 C ATOM 1147 CG LEU A 128 -10.093 21.445 -8.442 1.00 31.45 C ATOM 1148 CD1 LEU A 128 -8.716 20.922 -7.981 1.00 30.42 C ATOM 1149 CD2 LEU A 128 -10.866 21.964 -7.241 1.00 32.90 C ATOM 1150 H LEU A 128 -11.119 21.212 -11.515 1.00 0.00 H ATOM 1151 N GLY A 129 -11.538 24.260 -12.180 1.00 31.02 N ATOM 1152 CA GLY A 129 -11.715 25.489 -12.926 1.00 30.68 C ATOM 1153 C GLY A 129 -10.453 26.320 -13.062 1.00 29.58 C ATOM 1154 O GLY A 129 -10.541 27.519 -13.254 1.00 29.31 O ATOM 1155 H GLY A 129 -11.530 23.355 -12.692 1.00 0.00 H ATOM 1156 N LEU A 130 -9.278 25.710 -12.964 1.00 27.92 N ATOM 1157 CA LEU A 130 -8.045 26.473 -13.210 1.00 27.54 C ATOM 1158 C LEU A 130 -7.902 26.853 -14.697 1.00 27.36 C ATOM 1159 O LEU A 130 -8.113 26.041 -15.578 1.00 28.00 O ATOM 1160 CB LEU A 130 -6.811 25.728 -12.697 1.00 26.41 C ATOM 1161 CG LEU A 130 -6.685 25.833 -11.177 1.00 28.00 C ATOM 1162 CD1 LEU A 130 -6.179 24.560 -10.542 1.00 28.82 C ATOM 1163 CD2 LEU A 130 -5.796 27.013 -10.833 1.00 29.28 C ATOM 1164 H LEU A 130 -9.230 24.701 -12.715 1.00 0.00 H ATOM 1165 N PRO A 131 -7.530 28.099 -14.977 1.00 27.87 N ATOM 1166 CA PRO A 131 -7.410 28.483 -16.373 1.00 28.44 C ATOM 1167 C PRO A 131 -6.230 27.793 -17.075 1.00 28.10 C ATOM 1168 O PRO A 131 -5.154 27.643 -16.490 1.00 27.91 O ATOM 1169 CB PRO A 131 -7.184 30.001 -16.297 1.00 27.94 C ATOM 1170 CG PRO A 131 -6.563 30.216 -14.977 1.00 28.14 C ATOM 1171 CD PRO A 131 -7.199 29.216 -14.066 1.00 27.92 C ATOM 1172 N LYS A 132 -6.436 27.397 -18.325 1.00 28.72 N ATOM 1173 CA LYS A 132 -5.351 26.846 -19.135 1.00 28.73 C ATOM 1174 C LYS A 132 -4.397 27.947 -19.500 1.00 28.05 C ATOM 1175 O LYS A 132 -4.821 29.041 -19.838 1.00 28.74 O ATOM 1176 CB LYS A 132 -5.885 26.182 -20.399 1.00 29.63 C ATOM 1177 CG LYS A 132 -6.580 24.874 -20.111 1.00 31.74 C ATOM 1178 CD LYS A 132 -6.903 24.109 -21.380 1.00 34.19 C ATOM 1179 CE LYS A 132 -7.488 22.744 -21.040 1.00 36.28 C ATOM 1180 NZ LYS A 132 -8.283 22.145 -22.163 1.00 38.62 N ATOM 1181 HZ1 LYS A 132 -9.075 22.776 -22.401 1.00 0.00 H ATOM 1182 HZ2 LYS A 132 -7.670 22.026 -22.995 1.00 0.00 H ATOM 1183 HZ3 LYS A 132 -8.653 21.219 -21.869 1.00 0.00 H ATOM 1184 H LYS A 132 -7.388 27.480 -18.736 1.00 0.00 H ATOM 1185 N PRO A 133 -3.096 27.676 -19.408 1.00 27.50 N ATOM 1186 CA PRO A 133 -2.147 28.703 -19.788 1.00 27.35 C ATOM 1187 C PRO A 133 -2.091 28.881 -21.308 1.00 27.20 C ATOM 1188 O PRO A 133 -2.275 27.933 -22.048 1.00 26.79 O ATOM 1189 CB PRO A 133 -0.814 28.193 -19.212 1.00 27.21 C ATOM 1190 CG PRO A 133 -0.950 26.736 -19.108 1.00 27.36 C ATOM 1191 CD PRO A 133 -2.434 26.444 -18.938 1.00 27.79 C ATOM 1192 N ASP A 134 -1.872 30.111 -21.759 1.00 27.20 N ATOM 1193 CA ASP A 134 -1.681 30.376 -23.179 1.00 26.97 C ATOM 1194 C ASP A 134 -0.423 29.689 -23.683 1.00 26.26 C ATOM 1195 O ASP A 134 -0.410 29.171 -24.802 1.00 26.29 O ATOM 1196 CB ASP A 134 -1.652 31.866 -23.429 1.00 27.41 C ATOM 1197 CG ASP A 134 -2.918 32.530 -22.938 1.00 29.95 C ATOM 1198 OD1 ASP A 134 -3.999 32.229 -23.486 1.00 31.42 O ATOM 1199 OD2 ASP A 134 -2.840 33.279 -21.946 1.00 32.29 O ATOM 1200 H ASP A 134 -1.836 30.902 -21.084 1.00 0.00 H ATOM 1201 N TRP A 135 0.610 29.655 -22.841 1.00 25.33 N ATOM 1202 CA TRP A 135 1.889 29.000 -23.172 1.00 24.62 C ATOM 1203 C TRP A 135 2.428 28.269 -21.980 1.00 23.59 C ATOM 1204 O TRP A 135 2.273 28.733 -20.856 1.00 23.55 O ATOM 1205 CB TRP A 135 2.959 30.010 -23.559 1.00 24.24 C ATOM 1206 CG TRP A 135 2.769 30.686 -24.842 1.00 24.86 C ATOM 1207 CD1 TRP A 135 2.230 31.924 -25.041 1.00 26.05 C ATOM 1208 CD2 TRP A 135 3.164 30.207 -26.130 1.00 26.47 C ATOM 1209 NE1 TRP A 135 2.251 32.238 -26.377 1.00 27.14 N ATOM 1210 CE2 TRP A 135 2.817 31.199 -27.069 1.00 26.32 C ATOM 1211 CE3 TRP A 135 3.757 29.020 -26.587 1.00 27.58 C ATOM 1212 CZ2 TRP A 135 3.052 31.051 -28.439 1.00 27.89 C ATOM 1213 CZ3 TRP A 135 4.002 28.878 -27.953 1.00 27.23 C ATOM 1214 CH2 TRP A 135 3.642 29.883 -28.861 1.00 26.26 C ATOM 1215 HE1 TRP A 135 1.895 33.121 -26.796 1.00 0.00 H ATOM 1216 H TRP A 135 0.510 30.110 -21.911 1.00 0.00 H ATOM 1217 N GLN A 136 3.072 27.132 -22.217 1.00 23.14 N ATOM 1218 CA GLN A 136 3.844 26.477 -21.186 1.00 22.68 C ATOM 1219 C GLN A 136 5.262 26.327 -21.698 1.00 22.69 C ATOM 1220 O GLN A 136 5.473 25.781 -22.763 1.00 22.79 O ATOM 1221 CB GLN A 136 3.235 25.128 -20.818 1.00 22.72 C ATOM 1222 CG GLN A 136 1.868 25.264 -20.237 1.00 22.57 C ATOM 1223 CD GLN A 136 1.076 23.971 -20.204 1.00 23.35 C ATOM 1224 OE1 GLN A 136 1.143 23.215 -19.231 1.00 22.60 O ATOM 1225 NE2 GLN A 136 0.274 23.737 -21.255 1.00 21.69 N ATOM 1226 HE22 GLN A 136 0.253 24.405 -22.052 1.00 0.00 H ATOM 1227 HE21 GLN A 136 -0.326 22.888 -21.272 1.00 0.00 H ATOM 1228 H GLN A 136 3.020 26.704 -23.164 1.00 0.00 H ATOM 1229 N VAL A 137 6.237 26.813 -20.935 1.00 21.82 N ATOM 1230 CA VAL A 137 7.590 26.854 -21.418 1.00 21.22 C ATOM 1231 C VAL A 137 8.391 25.876 -20.619 1.00 20.76 C ATOM 1232 O VAL A 137 8.618 26.085 -19.443 1.00 20.00 O ATOM 1233 CB VAL A 137 8.195 28.257 -21.246 1.00 21.69 C ATOM 1234 CG1 VAL A 137 9.675 28.246 -21.620 1.00 21.93 C ATOM 1235 CG2 VAL A 137 7.387 29.293 -22.038 1.00 19.83 C ATOM 1236 H VAL A 137 6.019 27.166 -19.981 1.00 0.00 H ATOM 1237 N LEU A 138 8.819 24.797 -21.259 1.00 20.37 N ATOM 1238 CA LEU A 138 9.682 23.844 -20.597 1.00 20.31 C ATOM 1239 C LEU A 138 11.161 24.266 -20.679 1.00 21.44 C ATOM 1240 O LEU A 138 11.730 24.328 -21.772 1.00 21.96 O ATOM 1241 CB LEU A 138 9.511 22.470 -21.248 1.00 20.18 C ATOM 1242 CG LEU A 138 10.449 21.359 -20.784 1.00 20.61 C ATOM 1243 CD1 LEU A 138 10.269 21.141 -19.285 1.00 19.43 C ATOM 1244 CD2 LEU A 138 10.208 20.060 -21.576 1.00 15.67 C ATOM 1245 H LEU A 138 8.532 24.634 -22.245 1.00 0.00 H ATOM 1246 N LEU A 139 11.779 24.500 -19.527 1.00 21.90 N ATOM 1247 CA LEU A 139 13.232 24.650 -19.422 1.00 22.91 C ATOM 1248 C LEU A 139 13.888 23.281 -19.326 1.00 24.40 C ATOM 1249 O LEU A 139 13.798 22.610 -18.288 1.00 23.68 O ATOM 1250 CB LEU A 139 13.590 25.482 -18.186 1.00 22.44 C ATOM 1251 CG LEU A 139 15.062 25.739 -17.830 1.00 22.59 C ATOM 1252 CD1 LEU A 139 15.826 26.355 -18.993 1.00 22.45 C ATOM 1253 CD2 LEU A 139 15.125 26.666 -16.602 1.00 21.58 C ATOM 1254 H LEU A 139 11.207 24.580 -18.662 1.00 0.00 H ATOM 1255 N ALA A 140 14.535 22.845 -20.400 1.00 26.30 N ATOM 1256 CA ALA A 140 15.078 21.472 -20.453 1.00 28.47 C ATOM 1257 C ALA A 140 16.585 21.549 -20.376 1.00 30.55 C ATOM 1258 O ALA A 140 17.237 21.985 -21.333 1.00 30.89 O ATOM 1259 CB ALA A 140 14.666 20.781 -21.750 1.00 28.61 C ATOM 1260 H ALA A 140 14.661 23.478 -21.215 1.00 0.00 H ATOM 1261 N VAL A 141 17.144 21.141 -19.246 1.00 32.89 N ATOM 1262 CA VAL A 141 18.597 21.196 -19.048 1.00 35.31 C ATOM 1263 C VAL A 141 19.227 19.803 -18.841 1.00 38.06 C ATOM 1264 O VAL A 141 18.560 18.827 -18.437 1.00 37.53 O ATOM 1265 CB VAL A 141 18.945 22.140 -17.877 1.00 35.36 C ATOM 1266 CG1 VAL A 141 18.335 23.531 -18.114 1.00 34.35 C ATOM 1267 CG2 VAL A 141 18.458 21.577 -16.556 1.00 34.91 C ATOM 1268 H VAL A 141 16.540 20.774 -18.483 1.00 0.00 H ATOM 1269 N SER A 142 20.528 19.727 -19.108 1.00 41.42 N ATOM 1270 CA SER A 142 21.246 18.454 -19.069 1.00 44.37 C ATOM 1271 C SER A 142 21.276 17.876 -17.664 1.00 45.96 C ATOM 1272 O SER A 142 20.839 16.738 -17.451 1.00 46.73 O ATOM 1273 CB SER A 142 22.671 18.641 -19.578 1.00 45.73 C ATOM 1274 OG SER A 142 23.414 19.455 -18.695 1.00 46.89 O ATOM 1275 HG SER A 142 24.334 19.563 -19.043 1.00 0.00 H ATOM 1276 H SER A 142 21.047 20.595 -19.351 1.00 0.00 H ATOM 1277 N ALA A 143 21.794 18.667 -16.716 1.00 47.76 N ATOM 1278 CA ALA A 143 21.777 18.312 -15.284 1.00 48.86 C ATOM 1279 C ALA A 143 21.249 19.467 -14.434 1.00 48.96 C ATOM 1280 O ALA A 143 21.725 20.606 -14.527 1.00 49.42 O ATOM 1281 CB ALA A 143 23.177 17.902 -14.804 1.00 50.19 C ATOM 1282 H ALA A 143 22.226 19.569 -17.001 1.00 0.00 H ATOM 1283 N GLU A 144 20.270 19.149 -13.594 1.00 49.31 N ATOM 1284 CA GLU A 144 19.693 20.102 -12.673 1.00 49.09 C ATOM 1285 C GLU A 144 20.720 20.482 -11.604 1.00 50.20 C ATOM 1286 O GLU A 144 21.128 19.641 -10.797 1.00 51.36 O ATOM 1287 CB GLU A 144 18.455 19.484 -12.028 1.00 48.67 C ATOM 1288 H GLU A 144 19.904 18.175 -13.599 1.00 0.00 H TER 1289 GLU A 144 ATOM 1290 N ASP A 168 15.473 10.960 -6.236 1.00 56.06 N ATOM 1291 CA ASP A 168 16.091 9.965 -7.117 1.00 56.79 C ATOM 1292 C ASP A 168 16.383 10.569 -8.496 1.00 55.48 C ATOM 1293 O ASP A 168 15.545 11.271 -9.053 1.00 54.95 O ATOM 1294 CB ASP A 168 15.173 8.738 -7.250 1.00 57.11 C ATOM 1295 CG ASP A 168 15.808 7.619 -8.064 1.00 59.61 C ATOM 1296 OD1 ASP A 168 17.055 7.568 -8.132 1.00 63.09 O ATOM 1297 OD2 ASP A 168 15.063 6.787 -8.633 1.00 61.19 O ATOM 1298 HN3 ASP A 168 14.580 11.286 -6.657 1.00 0.00 H ATOM 1299 HN2 ASP A 168 16.118 11.767 -6.120 1.00 0.00 H ATOM 1300 HN1 ASP A 168 15.284 10.530 -5.308 1.00 0.00 H ATOM 1301 N ALA A 169 17.561 10.287 -9.039 1.00 55.16 N ATOM 1302 CA ALA A 169 18.026 10.923 -10.283 1.00 54.06 C ATOM 1303 C ALA A 169 17.377 10.328 -11.543 1.00 52.66 C ATOM 1304 O ALA A 169 17.053 11.059 -12.486 1.00 51.98 O ATOM 1305 CB ALA A 169 19.562 10.830 -10.385 1.00 55.19 C ATOM 1306 H ALA A 169 18.177 9.593 -8.570 1.00 0.00 H ATOM 1307 N GLU A 170 17.220 9.003 -11.565 1.00 51.44 N ATOM 1308 CA GLU A 170 16.468 8.322 -12.623 1.00 49.98 C ATOM 1309 C GLU A 170 15.003 8.808 -12.704 1.00 47.08 C ATOM 1310 O GLU A 170 14.431 8.883 -13.789 1.00 46.60 O ATOM 1311 CB GLU A 170 16.501 6.798 -12.411 1.00 51.02 C ATOM 1312 H GLU A 170 17.646 8.434 -10.806 1.00 0.00 H ATOM 1313 N LEU A 171 14.406 9.123 -11.558 1.00 44.73 N ATOM 1314 CA LEU A 171 13.050 9.669 -11.512 1.00 42.43 C ATOM 1315 C LEU A 171 13.035 11.113 -12.004 1.00 40.51 C ATOM 1316 O LEU A 171 12.151 11.511 -12.768 1.00 38.74 O ATOM 1317 CB LEU A 171 12.490 9.589 -10.092 1.00 42.48 C ATOM 1318 CG LEU A 171 11.143 10.269 -9.805 1.00 41.77 C ATOM 1319 CD1 LEU A 171 10.045 9.768 -10.743 1.00 43.12 C ATOM 1320 CD2 LEU A 171 10.762 10.063 -8.345 1.00 41.86 C ATOM 1321 H LEU A 171 14.920 8.976 -10.666 1.00 0.00 H ATOM 1322 N GLN A 172 14.020 11.894 -11.566 1.00 39.63 N ATOM 1323 CA GLN A 172 14.156 13.267 -12.030 1.00 38.88 C ATOM 1324 C GLN A 172 14.371 13.346 -13.551 1.00 37.20 C ATOM 1325 O GLN A 172 13.761 14.188 -14.207 1.00 35.74 O ATOM 1326 CB GLN A 172 15.245 14.021 -11.250 1.00 39.76 C ATOM 1327 CG GLN A 172 14.729 14.632 -9.920 1.00 42.57 C ATOM 1328 CD GLN A 172 14.381 16.120 -10.027 1.00 46.08 C ATOM 1329 OE1 GLN A 172 13.207 16.536 -9.872 1.00 46.04 O ATOM 1330 NE2 GLN A 172 15.418 16.943 -10.277 1.00 49.27 N ATOM 1331 HE22 GLN A 172 16.374 16.553 -10.398 1.00 0.00 H ATOM 1332 HE21 GLN A 172 15.262 17.969 -10.349 1.00 0.00 H ATOM 1333 H GLN A 172 14.705 11.516 -10.880 1.00 0.00 H ATOM 1334 N GLN A 173 15.202 12.463 -14.100 1.00 36.69 N ATOM 1335 CA GLN A 173 15.420 12.421 -15.550 1.00 36.41 C ATOM 1336 C GLN A 173 14.196 11.859 -16.290 1.00 34.44 C ATOM 1337 O GLN A 173 13.881 12.302 -17.396 1.00 33.72 O ATOM 1338 CB GLN A 173 16.723 11.666 -15.919 1.00 38.68 C ATOM 1339 CG GLN A 173 18.037 12.461 -15.634 1.00 42.07 C ATOM 1340 CD GLN A 173 18.184 13.776 -16.446 1.00 46.76 C ATOM 1341 OE1 GLN A 173 17.543 13.971 -17.495 1.00 49.42 O ATOM 1342 NE2 GLN A 173 19.039 14.683 -15.952 1.00 49.54 N ATOM 1343 HE22 GLN A 173 19.557 14.484 -15.072 1.00 0.00 H ATOM 1344 HE21 GLN A 173 19.184 15.585 -16.448 1.00 0.00 H ATOM 1345 H GLN A 173 15.707 11.790 -13.489 1.00 0.00 H ATOM 1346 N ARG A 174 13.492 10.904 -15.684 1.00 32.39 N ATOM 1347 CA ARG A 174 12.233 10.430 -16.260 1.00 30.98 C ATOM 1348 C ARG A 174 11.157 11.551 -16.282 1.00 28.54 C ATOM 1349 O ARG A 174 10.412 11.724 -17.263 1.00 27.64 O ATOM 1350 CB ARG A 174 11.748 9.196 -15.497 1.00 31.55 C ATOM 1351 CG ARG A 174 10.506 8.577 -16.066 1.00 32.69 C ATOM 1352 CD ARG A 174 10.309 7.110 -15.626 1.00 35.75 C ATOM 1353 NE ARG A 174 9.258 6.542 -16.469 1.00 38.42 N ATOM 1354 CZ ARG A 174 9.232 5.303 -16.975 1.00 40.94 C ATOM 1355 NH1 ARG A 174 10.198 4.424 -16.714 1.00 42.82 N ATOM 1356 NH2 ARG A 174 8.207 4.940 -17.752 1.00 40.44 N ATOM 1357 HE ARG A 174 8.453 7.160 -16.697 1.00 0.00 H ATOM 1358 HH12 ARG A 174 10.154 3.467 -17.120 1.00 0.00 H ATOM 1359 HH11 ARG A 174 10.996 4.694 -16.105 1.00 0.00 H ATOM 1360 HH22 ARG A 174 8.172 3.981 -18.153 1.00 0.00 H ATOM 1361 HH21 ARG A 174 7.444 5.617 -17.956 1.00 0.00 H ATOM 1362 H ARG A 174 13.840 10.492 -14.795 1.00 0.00 H ATOM 1363 N THR A 175 11.115 12.343 -15.219 1.00 26.55 N ATOM 1364 CA THR A 175 10.235 13.524 -15.161 1.00 24.37 C ATOM 1365 C THR A 175 10.564 14.542 -16.251 1.00 23.99 C ATOM 1366 O THR A 175 9.670 15.022 -16.947 1.00 23.61 O ATOM 1367 CB THR A 175 10.316 14.178 -13.782 1.00 23.93 C ATOM 1368 OG1 THR A 175 10.165 13.164 -12.787 1.00 23.35 O ATOM 1369 CG2 THR A 175 9.245 15.296 -13.595 1.00 21.69 C ATOM 1370 HG1 THR A 175 10.888 12.495 -12.886 1.00 0.00 H ATOM 1371 H THR A 175 11.721 12.124 -14.402 1.00 0.00 H ATOM 1372 N GLY A 176 11.847 14.839 -16.419 1.00 24.23 N ATOM 1373 CA GLY A 176 12.313 15.682 -17.523 1.00 24.21 C ATOM 1374 C GLY A 176 11.825 15.161 -18.873 1.00 24.79 C ATOM 1375 O GLY A 176 11.379 15.949 -19.719 1.00 23.91 O ATOM 1376 H GLY A 176 12.544 14.461 -15.745 1.00 0.00 H ATOM 1377 N ALA A 177 11.884 13.833 -19.061 1.00 24.75 N ATOM 1378 CA ALA A 177 11.460 13.211 -20.329 1.00 24.84 C ATOM 1379 C ALA A 177 9.949 13.338 -20.552 1.00 24.17 C ATOM 1380 O ALA A 177 9.523 13.729 -21.637 1.00 24.06 O ATOM 1381 CB ALA A 177 11.904 11.742 -20.405 1.00 25.32 C ATOM 1382 H ALA A 177 12.238 13.228 -18.293 1.00 0.00 H ATOM 1383 N VAL A 178 9.161 13.054 -19.514 1.00 23.61 N ATOM 1384 CA VAL A 178 7.712 13.151 -19.588 1.00 23.67 C ATOM 1385 C VAL A 178 7.288 14.603 -19.840 1.00 23.58 C ATOM 1386 O VAL A 178 6.418 14.883 -20.655 1.00 24.06 O ATOM 1387 CB VAL A 178 7.025 12.616 -18.302 1.00 23.73 C ATOM 1388 CG1 VAL A 178 5.527 12.897 -18.341 1.00 22.94 C ATOM 1389 CG2 VAL A 178 7.268 11.131 -18.137 1.00 22.86 C ATOM 1390 H VAL A 178 9.598 12.752 -18.620 1.00 0.00 H ATOM 1391 N TYR A 179 7.934 15.536 -19.166 1.00 23.08 N ATOM 1392 CA TYR A 179 7.774 16.939 -19.519 1.00 22.15 C ATOM 1393 C TYR A 179 7.908 17.158 -21.030 1.00 22.63 C ATOM 1394 O TYR A 179 7.032 17.731 -21.666 1.00 23.07 O ATOM 1395 CB TYR A 179 8.830 17.769 -18.803 1.00 21.62 C ATOM 1396 CG TYR A 179 8.386 18.464 -17.546 1.00 21.77 C ATOM 1397 CD1 TYR A 179 7.208 19.210 -17.511 1.00 21.14 C ATOM 1398 CD2 TYR A 179 9.173 18.432 -16.413 1.00 21.77 C ATOM 1399 CE1 TYR A 179 6.820 19.877 -16.353 1.00 22.82 C ATOM 1400 CE2 TYR A 179 8.806 19.103 -15.273 1.00 21.69 C ATOM 1401 CZ TYR A 179 7.637 19.823 -15.241 1.00 21.51 C ATOM 1402 OH TYR A 179 7.291 20.497 -14.089 1.00 22.62 O ATOM 1403 HH TYR A 179 6.429 20.963 -14.227 1.00 0.00 H ATOM 1404 H TYR A 179 8.560 15.268 -18.380 1.00 0.00 H ATOM 1405 N ALA A 180 8.999 16.673 -21.607 1.00 22.86 N ATOM 1406 CA ALA A 180 9.238 16.842 -23.035 1.00 23.42 C ATOM 1407 C ALA A 180 8.089 16.243 -23.841 1.00 23.85 C ATOM 1408 O ALA A 180 7.730 16.749 -24.911 1.00 24.49 O ATOM 1409 CB ALA A 180 10.568 16.203 -23.440 1.00 23.83 C ATOM 1410 H ALA A 180 9.697 16.162 -21.030 1.00 0.00 H ATOM 1411 N GLU A 181 7.511 15.170 -23.316 1.00 24.13 N ATOM 1412 CA GLU A 181 6.397 14.528 -23.961 1.00 25.05 C ATOM 1413 C GLU A 181 5.097 15.318 -23.871 1.00 24.35 C ATOM 1414 O GLU A 181 4.289 15.280 -24.787 1.00 25.61 O ATOM 1415 CB GLU A 181 6.178 13.143 -23.381 1.00 25.92 C ATOM 1416 CG GLU A 181 5.488 12.257 -24.376 1.00 29.12 C ATOM 1417 CD GLU A 181 4.842 11.069 -23.765 1.00 30.58 C ATOM 1418 OE1 GLU A 181 5.224 10.716 -22.621 1.00 29.28 O ATOM 1419 OE2 GLU A 181 3.952 10.499 -24.454 1.00 31.65 O ATOM 1420 H GLU A 181 7.871 14.785 -22.419 1.00 0.00 H ATOM 1421 N LEU A 182 4.852 15.974 -22.747 1.00 23.47 N ATOM 1422 CA LEU A 182 3.717 16.885 -22.652 1.00 22.60 C ATOM 1423 C LEU A 182 3.895 18.021 -23.679 1.00 22.11 C ATOM 1424 O LEU A 182 2.952 18.399 -24.395 1.00 22.09 O ATOM 1425 CB LEU A 182 3.609 17.455 -21.229 1.00 22.10 C ATOM 1426 CG LEU A 182 3.406 16.423 -20.118 1.00 22.91 C ATOM 1427 CD1 LEU A 182 3.715 17.039 -18.747 1.00 22.46 C ATOM 1428 CD2 LEU A 182 2.000 15.839 -20.176 1.00 21.64 C ATOM 1429 H LEU A 182 5.474 15.838 -21.925 1.00 0.00 H ATOM 1430 N ALA A 183 5.114 18.540 -23.785 1.00 22.00 N ATOM 1431 CA ALA A 183 5.397 19.610 -24.750 1.00 22.48 C ATOM 1432 C ALA A 183 5.172 19.170 -26.207 1.00 23.98 C ATOM 1433 O ALA A 183 4.580 19.908 -27.007 1.00 24.22 O ATOM 1434 CB ALA A 183 6.826 20.144 -24.558 1.00 21.68 C ATOM 1435 H ALA A 183 5.878 18.183 -23.176 1.00 0.00 H ATOM 1436 N ALA A 184 5.625 17.962 -26.540 1.00 25.14 N ATOM 1437 CA ALA A 184 5.478 17.425 -27.899 1.00 26.34 C ATOM 1438 C ALA A 184 4.020 17.163 -28.254 1.00 27.69 C ATOM 1439 O ALA A 184 3.624 17.288 -29.413 1.00 28.08 O ATOM 1440 CB ALA A 184 6.312 16.128 -28.051 1.00 27.17 C ATOM 1441 H ALA A 184 6.096 17.382 -25.816 1.00 0.00 H ATOM 1442 N GLN A 185 3.212 16.812 -27.255 1.00 28.52 N ATOM 1443 CA GLN A 185 1.770 16.540 -27.465 1.00 29.65 C ATOM 1444 C GLN A 185 0.861 17.768 -27.310 1.00 29.05 C ATOM 1445 O GLN A 185 -0.348 17.654 -27.446 1.00 30.26 O ATOM 1446 CB GLN A 185 1.291 15.496 -26.457 1.00 29.81 C ATOM 1447 CG GLN A 185 2.053 14.180 -26.517 1.00 34.44 C ATOM 1448 CD GLN A 185 1.462 13.219 -27.512 1.00 38.86 C ATOM 1449 OE1 GLN A 185 1.187 13.581 -28.669 1.00 41.43 O ATOM 1450 NE2 GLN A 185 1.251 11.984 -27.071 1.00 42.49 N ATOM 1451 HE22 GLN A 185 1.499 11.732 -26.093 1.00 0.00 H ATOM 1452 HE21 GLN A 185 0.838 11.269 -27.704 1.00 0.00 H ATOM 1453 H GLN A 185 3.606 16.726 -26.296 1.00 0.00 H ATOM 1454 N GLY A 186 1.420 18.922 -26.977 1.00 28.16 N ATOM 1455 CA GLY A 186 0.600 20.104 -26.658 1.00 27.62 C ATOM 1456 C GLY A 186 -0.430 19.897 -25.545 1.00 26.88 C ATOM 1457 O GLY A 186 -1.577 20.330 -25.655 1.00 27.26 O ATOM 1458 H GLY A 186 2.457 18.995 -26.940 1.00 0.00 H ATOM 1459 N TRP A 187 0.006 19.269 -24.461 1.00 25.81 N ATOM 1460 CA TRP A 187 -0.850 18.956 -23.339 1.00 24.97 C ATOM 1461 C TRP A 187 -1.312 20.278 -22.652 1.00 24.96 C ATOM 1462 O TRP A 187 -0.473 21.112 -22.243 1.00 23.87 O ATOM 1463 CB TRP A 187 -0.084 18.058 -22.387 1.00 24.31 C ATOM 1464 CG TRP A 187 -0.851 17.593 -21.201 1.00 24.29 C ATOM 1465 CD1 TRP A 187 -1.514 16.420 -21.073 1.00 25.97 C ATOM 1466 CD2 TRP A 187 -1.008 18.289 -19.952 1.00 23.17 C ATOM 1467 NE1 TRP A 187 -2.096 16.340 -19.807 1.00 28.57 N ATOM 1468 CE2 TRP A 187 -1.799 17.476 -19.112 1.00 23.65 C ATOM 1469 CE3 TRP A 187 -0.572 19.525 -19.473 1.00 22.59 C ATOM 1470 CZ2 TRP A 187 -2.151 17.855 -17.822 1.00 24.71 C ATOM 1471 CZ3 TRP A 187 -0.932 19.908 -18.184 1.00 22.71 C ATOM 1472 CH2 TRP A 187 -1.703 19.070 -17.373 1.00 23.24 C ATOM 1473 HE1 TRP A 187 -2.663 15.544 -19.451 1.00 0.00 H ATOM 1474 H TRP A 187 1.007 18.990 -24.416 1.00 0.00 H ATOM 1475 N GLY A 188 -2.634 20.462 -22.582 1.00 24.59 N ATOM 1476 CA GLY A 188 -3.244 21.659 -22.001 1.00 25.09 C ATOM 1477 C GLY A 188 -3.021 22.951 -22.771 1.00 26.03 C ATOM 1478 O GLY A 188 -3.342 24.031 -22.283 1.00 26.89 O ATOM 1479 H GLY A 188 -3.258 19.720 -22.958 1.00 0.00 H ATOM 1480 N GLY A 189 -2.471 22.865 -23.979 1.00 26.90 N ATOM 1481 CA GLY A 189 -2.186 24.064 -24.757 1.00 27.26 C ATOM 1482 C GLY A 189 -0.827 24.028 -25.412 1.00 27.21 C ATOM 1483 O GLY A 189 -0.169 22.974 -25.443 1.00 27.45 O ATOM 1484 H GLY A 189 -2.241 21.930 -24.373 1.00 0.00 H ATOM 1485 N ARG A 190 -0.434 25.174 -25.959 1.00 27.11 N ATOM 1486 CA ARG A 190 0.836 25.320 -26.684 1.00 27.59 C ATOM 1487 C ARG A 190 2.035 25.361 -25.753 1.00 25.39 C ATOM 1488 O ARG A 190 1.989 26.004 -24.717 1.00 24.43 O ATOM 1489 CB ARG A 190 0.842 26.631 -27.489 1.00 29.05 C ATOM 1490 CG ARG A 190 0.043 26.569 -28.781 1.00 34.33 C ATOM 1491 CD ARG A 190 -0.910 27.740 -28.916 1.00 40.37 C ATOM 1492 NE ARG A 190 -0.278 28.989 -29.366 1.00 44.96 N ATOM 1493 CZ ARG A 190 -0.292 30.163 -28.720 1.00 45.75 C ATOM 1494 NH1 ARG A 190 -0.878 30.325 -27.521 1.00 44.75 N ATOM 1495 NH2 ARG A 190 0.288 31.205 -29.304 1.00 46.25 N ATOM 1496 HE ARG A 190 0.229 28.958 -30.274 1.00 0.00 H ATOM 1497 HH12 ARG A 190 -0.864 31.256 -27.057 1.00 0.00 H ATOM 1498 HH11 ARG A 190 -1.345 29.520 -27.058 1.00 0.00 H ATOM 1499 HH22 ARG A 190 0.294 32.130 -28.829 1.00 0.00 H ATOM 1500 HH21 ARG A 190 0.736 31.096 -30.236 1.00 0.00 H ATOM 1501 H ARG A 190 -1.053 26.005 -25.870 1.00 0.00 H ATOM 1502 N TRP A 191 3.124 24.719 -26.169 1.00 24.83 N ATOM 1503 CA TRP A 191 4.395 24.747 -25.447 1.00 23.71 C ATOM 1504 C TRP A 191 5.515 25.273 -26.314 1.00 24.10 C ATOM 1505 O TRP A 191 5.388 25.336 -27.526 1.00 24.54 O ATOM 1506 CB TRP A 191 4.829 23.354 -24.999 1.00 23.54 C ATOM 1507 CG TRP A 191 4.009 22.699 -23.968 1.00 22.46 C ATOM 1508 CD1 TRP A 191 2.746 22.248 -24.116 1.00 21.65 C ATOM 1509 CD2 TRP A 191 4.428 22.317 -22.645 1.00 21.41 C ATOM 1510 NE1 TRP A 191 2.328 21.637 -22.964 1.00 22.24 N ATOM 1511 CE2 TRP A 191 3.340 21.665 -22.041 1.00 21.21 C ATOM 1512 CE3 TRP A 191 5.606 22.483 -21.913 1.00 20.53 C ATOM 1513 CZ2 TRP A 191 3.390 21.160 -20.729 1.00 19.89 C ATOM 1514 CZ3 TRP A 191 5.661 21.991 -20.600 1.00 20.57 C ATOM 1515 CH2 TRP A 191 4.561 21.336 -20.026 1.00 19.65 C ATOM 1516 HE1 TRP A 191 1.389 21.217 -22.813 1.00 0.00 H ATOM 1517 H TRP A 191 3.068 24.171 -27.051 1.00 0.00 H ATOM 1518 N LEU A 192 6.601 25.635 -25.642 1.00 23.56 N ATOM 1519 CA LEU A 192 7.910 25.829 -26.221 1.00 24.45 C ATOM 1520 C LEU A 192 8.883 25.105 -25.293 1.00 23.76 C ATOM 1521 O LEU A 192 8.652 25.087 -24.103 1.00 24.00 O ATOM 1522 CB LEU A 192 8.283 27.311 -26.220 1.00 24.77 C ATOM 1523 CG LEU A 192 7.585 28.245 -27.181 1.00 27.03 C ATOM 1524 CD1 LEU A 192 8.103 29.666 -26.951 1.00 27.64 C ATOM 1525 CD2 LEU A 192 7.792 27.789 -28.656 1.00 26.81 C ATOM 1526 H LEU A 192 6.502 25.791 -24.619 1.00 0.00 H ATOM 1527 N VAL A 193 9.941 24.496 -25.830 1.00 23.51 N ATOM 1528 CA VAL A 193 10.993 23.877 -25.035 1.00 22.83 C ATOM 1529 C VAL A 193 12.233 24.740 -25.203 1.00 23.53 C ATOM 1530 O VAL A 193 12.564 25.091 -26.320 1.00 24.24 O ATOM 1531 CB VAL A 193 11.340 22.469 -25.544 1.00 23.83 C ATOM 1532 CG1 VAL A 193 12.520 21.908 -24.776 1.00 22.08 C ATOM 1533 CG2 VAL A 193 10.121 21.547 -25.456 1.00 23.07 C ATOM 1534 H VAL A 193 10.019 24.461 -26.867 1.00 0.00 H ATOM 1535 N VAL A 194 12.925 25.081 -24.115 1.00 23.04 N ATOM 1536 CA VAL A 194 14.065 25.988 -24.219 1.00 23.25 C ATOM 1537 C VAL A 194 15.198 25.475 -23.376 1.00 23.68 C ATOM 1538 O VAL A 194 14.987 24.674 -22.472 1.00 23.03 O ATOM 1539 CB VAL A 194 13.707 27.451 -23.788 1.00 22.69 C ATOM 1540 CG1 VAL A 194 12.524 27.972 -24.604 1.00 22.19 C ATOM 1541 CG2 VAL A 194 13.405 27.526 -22.283 1.00 19.60 C ATOM 1542 H VAL A 194 12.651 24.699 -23.187 1.00 0.00 H ATOM 1543 N GLY A 195 16.392 25.952 -23.690 1.00 24.43 N ATOM 1544 CA GLY A 195 17.604 25.605 -22.965 1.00 25.32 C ATOM 1545 C GLY A 195 18.048 26.673 -21.984 1.00 26.31 C ATOM 1546 O GLY A 195 17.451 27.745 -21.885 1.00 24.77 O ATOM 1547 H GLY A 195 16.467 26.607 -24.494 1.00 0.00 H ATOM 1548 N ALA A 196 19.102 26.348 -21.248 1.00 28.28 N ATOM 1549 CA ALA A 196 19.652 27.212 -20.210 1.00 29.55 C ATOM 1550 C ALA A 196 20.062 28.576 -20.740 1.00 30.23 C ATOM 1551 O ALA A 196 19.954 29.553 -20.019 1.00 30.17 O ATOM 1552 CB ALA A 196 20.865 26.534 -19.551 1.00 30.18 C ATOM 1553 H ALA A 196 19.560 25.430 -21.420 1.00 0.00 H ATOM 1554 N ASP A 197 20.540 28.629 -21.983 1.00 31.71 N ATOM 1555 CA ASP A 197 21.027 29.879 -22.601 1.00 33.01 C ATOM 1556 C ASP A 197 20.062 30.518 -23.605 1.00 32.42 C ATOM 1557 O ASP A 197 20.488 31.280 -24.470 1.00 33.50 O ATOM 1558 CB ASP A 197 22.373 29.627 -23.304 1.00 34.84 C ATOM 1559 CG ASP A 197 23.520 29.408 -22.341 1.00 37.05 C ATOM 1560 OD1 ASP A 197 23.341 29.517 -21.104 1.00 42.45 O ATOM 1561 OD2 ASP A 197 24.629 29.120 -22.831 1.00 41.86 O ATOM 1562 H ASP A 197 20.571 27.752 -22.542 1.00 0.00 H ATOM 1563 N VAL A 198 18.765 30.239 -23.504 1.00 31.70 N ATOM 1564 CA VAL A 198 17.805 30.872 -24.418 1.00 30.62 C ATOM 1565 C VAL A 198 17.819 32.392 -24.261 1.00 30.86 C ATOM 1566 O VAL A 198 17.951 32.903 -23.163 1.00 30.18 O ATOM 1567 CB VAL A 198 16.374 30.365 -24.184 1.00 30.05 C ATOM 1568 CG1 VAL A 198 15.859 30.817 -22.809 1.00 29.51 C ATOM 1569 CG2 VAL A 198 15.437 30.801 -25.338 1.00 28.60 C ATOM 1570 H VAL A 198 18.431 29.573 -22.778 1.00 0.00 H ATOM 1571 N ASP A 199 17.688 33.111 -25.368 1.00 31.04 N ATOM 1572 CA ASP A 199 17.689 34.570 -25.322 1.00 31.52 C ATOM 1573 C ASP A 199 16.307 35.013 -24.891 1.00 30.01 C ATOM 1574 O ASP A 199 15.327 34.691 -25.564 1.00 28.76 O ATOM 1575 CB ASP A 199 18.052 35.143 -26.701 1.00 33.01 C ATOM 1576 CG ASP A 199 17.916 36.651 -26.781 1.00 34.50 C ATOM 1577 OD1 ASP A 199 16.844 37.217 -26.477 1.00 37.32 O ATOM 1578 OD2 ASP A 199 18.892 37.279 -27.194 1.00 42.14 O ATOM 1579 H ASP A 199 17.583 32.628 -26.283 1.00 0.00 H ATOM 1580 N PRO A 200 16.215 35.730 -23.752 1.00 29.63 N ATOM 1581 CA PRO A 200 14.898 36.138 -23.263 1.00 28.87 C ATOM 1582 C PRO A 200 14.153 37.129 -24.143 1.00 28.23 C ATOM 1583 O PRO A 200 12.919 37.114 -24.172 1.00 28.11 O ATOM 1584 CB PRO A 200 15.203 36.744 -21.878 1.00 29.14 C ATOM 1585 CG PRO A 200 16.632 36.982 -21.842 1.00 29.86 C ATOM 1586 CD PRO A 200 17.257 35.980 -22.741 1.00 30.41 C ATOM 1587 N GLY A 201 14.880 37.986 -24.846 1.00 28.58 N ATOM 1588 CA GLY A 201 14.254 38.971 -25.710 1.00 28.41 C ATOM 1589 C GLY A 201 13.570 38.278 -26.865 1.00 27.98 C ATOM 1590 O GLY A 201 12.445 38.624 -27.250 1.00 26.63 O ATOM 1591 H GLY A 201 15.917 37.952 -24.778 1.00 0.00 H ATOM 1592 N ARG A 202 14.256 37.285 -27.420 1.00 28.38 N ATOM 1593 CA ARG A 202 13.678 36.510 -28.508 1.00 29.25 C ATOM 1594 C ARG A 202 12.525 35.672 -27.994 1.00 28.25 C ATOM 1595 O ARG A 202 11.500 35.580 -28.642 1.00 27.76 O ATOM 1596 CB ARG A 202 14.726 35.625 -29.173 1.00 30.16 C ATOM 1597 CG ARG A 202 14.200 34.919 -30.409 1.00 32.83 C ATOM 1598 CD ARG A 202 15.250 34.019 -31.009 1.00 37.04 C ATOM 1599 NE ARG A 202 14.626 33.063 -31.926 1.00 40.32 N ATOM 1600 HE ARG A 202 13.597 33.082 -32.076 1.00 0.00 H ATOM 1601 H ARG A 202 15.211 37.060 -27.075 1.00 0.00 H ATOM 1602 N LEU A 203 12.678 35.086 -26.806 1.00 27.92 N ATOM 1603 CA LEU A 203 11.606 34.249 -26.234 1.00 27.19 C ATOM 1604 C LEU A 203 10.357 35.096 -25.958 1.00 27.31 C ATOM 1605 O LEU A 203 9.253 34.691 -26.296 1.00 26.85 O ATOM 1606 CB LEU A 203 12.096 33.486 -24.991 1.00 26.46 C ATOM 1607 CG LEU A 203 11.129 32.533 -24.251 1.00 26.31 C ATOM 1608 CD1 LEU A 203 10.520 31.529 -25.195 1.00 23.50 C ATOM 1609 CD2 LEU A 203 11.830 31.847 -23.042 1.00 24.04 C ATOM 1610 H LEU A 203 13.563 35.220 -26.277 1.00 0.00 H ATOM 1611 N ALA A 204 10.536 36.282 -25.390 1.00 28.17 N ATOM 1612 CA ALA A 204 9.420 37.207 -25.141 1.00 28.65 C ATOM 1613 C ALA A 204 8.669 37.581 -26.414 1.00 29.90 C ATOM 1614 O ALA A 204 7.449 37.615 -26.409 1.00 30.23 O ATOM 1615 CB ALA A 204 9.916 38.465 -24.450 1.00 29.14 C ATOM 1616 H ALA A 204 11.497 36.567 -25.112 1.00 0.00 H ATOM 1617 N ALA A 205 9.402 37.851 -27.493 1.00 30.80 N ATOM 1618 CA ALA A 205 8.816 38.134 -28.813 1.00 32.58 C ATOM 1619 C ALA A 205 7.977 36.961 -29.349 1.00 33.17 C ATOM 1620 O ALA A 205 6.887 37.170 -29.885 1.00 33.28 O ATOM 1621 CB ALA A 205 9.919 38.506 -29.842 1.00 32.42 C ATOM 1622 H ALA A 205 10.438 37.862 -27.398 1.00 0.00 H ATOM 1623 N THR A 206 8.481 35.739 -29.210 1.00 33.67 N ATOM 1624 CA THR A 206 7.718 34.562 -29.625 1.00 34.65 C ATOM 1625 C THR A 206 6.419 34.404 -28.827 1.00 35.92 C ATOM 1626 O THR A 206 5.382 34.071 -29.381 1.00 36.58 O ATOM 1627 CB THR A 206 8.546 33.278 -29.482 1.00 33.98 C ATOM 1628 OG1 THR A 206 9.720 33.390 -30.280 1.00 31.83 O ATOM 1629 CG2 THR A 206 7.759 32.086 -29.922 1.00 33.90 C ATOM 1630 HG1 THR A 206 10.253 34.166 -29.974 1.00 0.00 H ATOM 1631 H THR A 206 9.430 35.618 -28.801 1.00 0.00 H ATOM 1632 N LEU A 207 6.474 34.659 -27.531 1.00 37.69 N ATOM 1633 CA LEU A 207 5.320 34.436 -26.674 1.00 39.21 C ATOM 1634 C LEU A 207 4.220 35.503 -26.869 1.00 41.78 C ATOM 1635 O LEU A 207 3.027 35.171 -26.788 1.00 43.49 O ATOM 1636 CB LEU A 207 5.770 34.340 -25.218 1.00 38.48 C ATOM 1637 CG LEU A 207 6.663 33.134 -24.909 1.00 37.66 C ATOM 1638 CD1 LEU A 207 7.382 33.311 -23.580 1.00 35.84 C ATOM 1639 CD2 LEU A 207 5.838 31.850 -24.903 1.00 37.69 C ATOM 1640 H LEU A 207 7.356 35.025 -27.118 1.00 0.00 H ATOM 1641 N ALA A 208 4.619 36.740 -27.171 1.00 43.75 N ATOM 1642 CA ALA A 208 3.710 37.895 -27.351 1.00 46.14 C ATOM 1643 C ALA A 208 2.626 37.724 -28.419 1.00 48.02 C ATOM 1644 O ALA A 208 2.900 37.184 -29.498 1.00 48.77 O ATOM 1645 CB ALA A 208 4.516 39.153 -27.683 1.00 46.47 C ATOM 1646 H ALA A 208 5.639 36.904 -27.288 1.00 0.00 H ATOM 1647 N PRO A 209 1.407 38.249 -28.139 1.00 50.21 N ATOM 1648 CA PRO A 209 0.198 38.069 -28.972 1.00 51.59 C ATOM 1649 C PRO A 209 0.249 38.841 -30.282 1.00 52.64 C ATOM 1650 O PRO A 209 0.754 39.958 -30.301 1.00 53.97 O ATOM 1651 CB PRO A 209 -0.912 38.648 -28.085 1.00 51.95 C ATOM 1652 CG PRO A 209 -0.225 39.755 -27.343 1.00 51.61 C ATOM 1653 CD PRO A 209 1.155 39.214 -27.045 1.00 50.59 C TER 1654 PRO A 209 HETATM 1655 NA NA A 1 2.324 2.131 -14.032 1.00 53.17 NA HETATM 1656 O HOH 2 17.434 24.398 -4.504 1.00 43.39 O HETATM 1657 O HOH 3 -4.634 36.384 -19.523 1.00 20.56 O HETATM 1658 O HOH 4 -3.692 39.951 -19.522 1.00 36.32 O HETATM 1659 O HOH 5 1.593 24.055 -16.412 1.00 15.78 O HETATM 1660 O HOH 6 14.833 28.899 -7.140 1.00 32.92 O HETATM 1661 O HOH 7 13.197 20.212 -17.162 1.00 18.72 O HETATM 1662 O HOH 8 11.368 23.847 -8.692 1.00 41.19 O HETATM 1663 O HOH 9 14.206 25.257 -10.777 1.00 24.74 O HETATM 1664 O HOH 10 9.625 38.850 -7.836 1.00 34.83 O HETATM 1665 O HOH 11 19.774 26.730 -15.856 1.00 27.41 O HETATM 1666 O HOH 12 4.980 49.089 -28.057 1.00 30.89 O HETATM 1667 O HOH 13 17.403 29.619 -16.355 1.00 23.28 O HETATM 1668 O HOH 14 14.538 27.636 -9.867 1.00 33.18 O HETATM 1669 O HOH 15 9.499 24.960 -7.912 1.00 49.17 O HETATM 1670 O HOH 16 11.800 27.887 -9.166 1.00 40.38 O HETATM 1671 O HOH 17 2.640 41.397 -8.362 1.00 49.22 O HETATM 1672 O HOH 18 16.904 29.594 -10.697 1.00 28.13 O HETATM 1673 O HOH 19 9.732 35.807 -6.324 1.00 35.46 O HETATM 1674 O HOH 20 9.679 22.328 0.671 1.00 53.35 O HETATM 1675 O HOH 21 -7.499 26.243 2.078 1.00 37.69 O HETATM 1676 O HOH 22 13.090 40.718 -13.732 1.00 36.95 O HETATM 1677 O HOH 23 15.825 39.956 -19.594 1.00 23.61 O HETATM 1678 O HOH 24 13.208 45.483 -18.453 1.00 23.64 O HETATM 1679 O HOH 25 12.331 42.454 -24.830 1.00 13.27 O HETATM 1680 O HOH 26 5.164 45.360 -14.329 1.00 22.68 O HETATM 1681 O HOH 27 8.101 40.656 -10.839 1.00 30.58 O HETATM 1682 O HOH 28 12.101 43.179 -14.378 1.00 22.49 O HETATM 1683 O HOH 29 -2.330 4.131 -10.489 1.00 30.12 O HETATM 1684 O HOH 30 3.933 47.041 -25.597 1.00 26.58 O HETATM 1685 O HOH 31 4.603 50.398 -24.048 1.00 32.98 O HETATM 1686 O HOH 32 3.501 48.590 -18.483 1.00 35.46 O HETATM 1687 O HOH 33 -11.241 24.466 -4.156 1.00 38.78 O HETATM 1688 O HOH 34 5.998 47.447 -17.163 1.00 40.53 O HETATM 1689 O HOH 35 0.929 47.850 -19.484 1.00 33.06 O HETATM 1690 O HOH 36 3.823 42.955 -10.692 1.00 35.75 O HETATM 1691 O HOH 37 4.856 39.955 -9.214 1.00 24.56 O HETATM 1692 O HOH 38 1.742 38.279 -7.589 1.00 48.84 O HETATM 1693 O HOH 39 5.575 37.816 -7.405 1.00 38.01 O HETATM 1694 O HOH 40 8.175 27.137 -8.298 1.00 23.16 O HETATM 1695 O HOH 41 10.056 31.790 -6.108 1.00 34.50 O HETATM 1696 O HOH 42 -0.824 33.570 -3.562 1.00 31.34 O HETATM 1697 O HOH 43 -3.523 33.284 -3.835 1.00 29.93 O HETATM 1698 O HOH 44 -5.463 28.796 -0.384 1.00 32.69 O HETATM 1699 O HOH 45 5.986 30.028 -0.916 1.00 34.46 O HETATM 1700 O HOH 46 8.669 19.783 -2.273 1.00 35.10 O HETATM 1701 O HOH 47 -4.228 27.389 3.341 1.00 25.94 O HETATM 1702 O HOH 48 -4.827 24.545 1.309 1.00 28.35 O HETATM 1703 O HOH 49 -7.724 8.285 -18.935 1.00 32.47 O HETATM 1704 O HOH 50 6.125 24.066 3.892 1.00 35.90 O HETATM 1705 O HOH 51 0.788 24.839 7.334 1.00 40.19 O HETATM 1706 O HOH 52 -13.412 28.908 -8.703 1.00 51.56 O HETATM 1707 O HOH 53 5.740 22.734 6.437 1.00 26.79 O HETATM 1708 O HOH 54 4.117 10.221 3.968 1.00 31.62 O HETATM 1709 O HOH 55 8.709 18.423 7.095 1.00 31.28 O HETATM 1710 O HOH 56 5.720 7.982 7.369 1.00 28.75 O HETATM 1711 O HOH 57 8.499 8.641 8.922 1.00 35.05 O HETATM 1712 O HOH 58 3.560 13.274 11.104 1.00 23.32 O HETATM 1713 O HOH 59 3.319 10.293 10.429 1.00 20.24 O HETATM 1714 O HOH 60 3.533 4.894 7.825 1.00 47.16 O HETATM 1715 O HOH 61 -6.544 7.118 -12.981 1.00 34.31 O HETATM 1716 O HOH 62 -2.727 5.852 -12.796 1.00 20.95 O HETATM 1717 O HOH 63 0.848 23.460 -5.883 1.00 19.53 O HETATM 1718 O HOH 64 -8.492 24.604 -2.478 1.00 25.01 O HETATM 1719 O HOH 65 -9.607 30.321 -2.577 1.00 32.28 O HETATM 1720 O HOH 66 -7.368 32.757 -5.049 1.00 19.39 O HETATM 1721 O HOH 67 -10.233 37.149 -9.271 1.00 25.38 O HETATM 1722 O HOH 68 -13.085 29.177 -4.713 1.00 32.37 O HETATM 1723 O HOH 69 -6.335 36.960 -3.893 1.00 21.41 O HETATM 1724 O HOH 70 -10.350 32.048 -16.655 1.00 44.96 O HETATM 1725 O HOH 71 -4.858 42.451 -18.598 1.00 31.82 O HETATM 1726 O HOH 72 -6.624 33.404 -17.016 1.00 42.45 O HETATM 1727 O HOH 73 -1.343 41.893 -7.338 1.00 34.91 O HETATM 1728 O HOH 74 9.845 32.337 -9.375 1.00 26.33 O HETATM 1729 O HOH 75 8.203 12.275 -9.962 1.00 41.60 O HETATM 1730 O HOH 76 3.041 2.014 -16.225 1.00 23.90 O HETATM 1731 O HOH 77 1.323 2.359 -11.780 1.00 25.74 O HETATM 1732 O HOH 78 7.803 0.105 -15.246 1.00 34.35 O HETATM 1733 O HOH 79 7.122 7.543 -17.598 1.00 29.45 O HETATM 1734 O HOH 80 6.668 8.040 -20.384 1.00 19.46 O HETATM 1735 O HOH 81 -0.278 9.734 -17.452 1.00 19.72 O HETATM 1736 O HOH 82 -0.234 3.230 -14.565 1.00 31.21 O HETATM 1737 O HOH 83 0.741 5.174 -19.989 1.00 21.19 O HETATM 1738 O HOH 84 -0.617 5.900 -22.441 1.00 25.82 O HETATM 1739 O HOH 85 0.484 6.354 -25.776 1.00 22.99 O HETATM 1740 O HOH 86 3.415 2.434 -22.603 1.00 42.24 O HETATM 1741 O HOH 87 -3.016 11.768 -20.806 1.00 23.06 O HETATM 1742 O HOH 88 -3.347 5.874 -23.345 1.00 33.93 O HETATM 1743 O HOH 89 -1.547 4.885 -18.402 1.00 20.11 O HETATM 1744 O HOH 90 -7.453 9.212 -16.328 1.00 32.20 O HETATM 1745 O HOH 91 -4.162 14.220 -20.818 1.00 23.73 O HETATM 1746 O HOH 92 -8.380 14.702 -19.264 1.00 26.57 O HETATM 1747 O HOH 93 -10.289 19.863 -18.881 1.00 40.84 O HETATM 1748 O HOH 94 -6.940 14.726 -21.464 1.00 29.23 O HETATM 1749 O HOH 95 -4.357 18.541 -23.922 1.00 27.82 O HETATM 1750 O HOH 96 -11.722 11.280 -12.330 1.00 30.51 O HETATM 1751 O HOH 97 -10.243 12.752 -19.575 1.00 34.90 O HETATM 1752 O HOH 98 -10.303 25.550 -16.889 1.00 32.00 O HETATM 1753 O HOH 99 -11.592 26.079 -7.438 1.00 33.60 O HETATM 1754 O HOH 100 -9.009 28.121 -19.497 1.00 29.60 O HETATM 1755 O HOH 101 -5.697 21.461 -24.197 1.00 36.36 O HETATM 1756 O HOH 102 -4.204 26.341 -23.609 1.00 34.10 O HETATM 1757 O HOH 103 -2.370 27.413 -25.573 1.00 18.75 O HETATM 1758 O HOH 104 -0.114 26.157 -22.817 1.00 16.27 O HETATM 1759 O HOH 105 -7.377 33.533 -22.079 1.00 42.22 O HETATM 1760 O HOH 106 19.797 23.626 -21.531 1.00 26.82 O HETATM 1761 O HOH 107 16.019 19.355 -17.571 1.00 34.42 O HETATM 1762 O HOH 108 15.539 17.434 -19.175 1.00 19.85 O HETATM 1763 O HOH 109 18.637 15.928 -19.145 1.00 35.74 O HETATM 1764 O HOH 110 17.983 17.699 -16.172 1.00 52.23 O HETATM 1765 O HOH 111 22.265 23.147 -15.483 1.00 40.38 O HETATM 1766 O HOH 112 15.164 7.955 -16.297 1.00 31.63 O HETATM 1767 O HOH 113 15.364 14.493 -18.695 1.00 23.21 O HETATM 1768 O HOH 114 13.049 18.341 -19.407 1.00 17.44 O HETATM 1769 O HOH 115 9.424 17.628 -26.753 1.00 14.78 O HETATM 1770 O HOH 116 7.278 10.298 -21.841 1.00 21.53 O HETATM 1771 O HOH 117 1.140 8.425 -27.178 1.00 25.90 O HETATM 1772 O HOH 118 1.788 11.997 -30.545 1.00 34.72 O HETATM 1773 O HOH 119 -2.415 22.694 -27.959 1.00 38.38 O HETATM 1774 O HOH 120 10.063 24.385 -28.991 1.00 16.98 O HETATM 1775 O HOH 121 16.479 27.370 -26.371 1.00 22.37 O HETATM 1776 O HOH 122 21.292 32.720 -26.154 1.00 34.75 O HETATM 1777 O HOH 123 23.811 31.577 -17.931 1.00 45.40 O HETATM 1778 O HOH 124 17.947 39.380 -25.033 1.00 38.96 O HETATM 1779 O HOH 125 11.480 41.043 -26.922 1.00 20.82 O HETATM 1780 O HOH 126 2.954 33.319 -31.317 1.00 41.12 O HETATM 1781 O HOH 127 12.403 31.850 -28.713 1.00 43.04 O HETATM 1782 O HOH 128 7.407 13.178 -6.924 1.00 41.14 O HETATM 1783 O HOH 129 14.026 22.512 -3.881 1.00 46.10 O HETATM 1784 O HOH 130 -8.082 39.090 -22.522 1.00 48.74 O HETATM 1785 C15 QZ A 3 4.111 20.867 -8.007 1.00 0.06 C HETATM 1786 C11 QZ A 3 4.010 19.472 -7.897 1.00 0.14 C HETATM 1787 C10 QZ A 3 5.006 18.688 -7.427 1.00 0.02 C HETATM 1788 C17 QZ A 3 6.263 19.378 -7.075 1.00 -0.01 C HETATM 1789 C18 QZ A 3 7.375 19.132 -7.840 1.00 -0.06 C HETATM 1790 C19 QZ A 3 8.569 19.772 -7.572 1.00 -0.03 C HETATM 1791 C20 QZ A 3 8.680 20.680 -6.541 1.00 0.08 C HETATM 1792 C21 QZ A 3 7.573 20.930 -5.774 1.00 -0.03 C HETATM 1793 C22 QZ A 3 6.385 20.282 -6.044 1.00 -0.06 C HETATM 1794 H2 QZ A 3 5.520 20.491 -5.425 1.00 0.07 H HETATM 1795 H4 QZ A 3 7.630 21.637 -4.955 1.00 0.05 H HETATM 1796 N23 QZ A 3 9.976 21.292 -6.384 1.00 -0.18 N HETATM 1797 S24 QZ A 3 10.462 22.366 -5.108 1.00 0.06 S HETATM 1798 C27 QZ A 3 9.283 23.692 -5.125 1.00 0.08 C HETATM 1799 H12 QZ A 3 9.533 24.415 -4.335 1.00 0.05 H HETATM 1800 H13 QZ A 3 8.275 23.289 -4.947 1.00 0.05 H HETATM 1801 H14 QZ A 3 9.310 24.194 -6.103 1.00 0.05 H HETATM 1802 O25 QZ A 3 11.735 22.953 -5.500 1.00 -0.15 O HETATM 1803 O26 QZ A 3 10.371 21.642 -3.839 1.00 -0.15 O HETATM 1804 H18 QZ A 3 10.663 21.077 -7.078 1.00 0.22 H HETATM 1805 H3 QZ A 3 9.437 19.556 -8.185 1.00 0.05 H HETATM 1806 H1 QZ A 3 7.316 18.429 -8.663 1.00 0.07 H HETATM 1807 C6 QZ A 3 4.771 17.250 -7.375 1.00 0.06 C HETATM 1808 C5 QZ A 3 3.562 16.764 -7.820 1.00 0.10 C HETATM 1809 C4 QZ A 3 3.280 15.425 -7.808 1.00 -0.01 C HETATM 1810 C3 QZ A 3 4.229 14.567 -7.335 1.00 0.01 C HETATM 1811 C2 QZ A 3 3.914 13.094 -7.329 1.00 -0.01 C HETATM 1812 C1 QZ A 3 4.097 12.520 -5.950 1.00 -0.05 C HETATM 1813 H9 QZ A 3 3.863 11.445 -5.966 1.00 0.03 H HETATM 1814 H10 QZ A 3 3.423 13.032 -5.247 1.00 0.03 H HETATM 1815 H11 QZ A 3 5.139 12.663 -5.628 1.00 0.03 H HETATM 1816 H15 QZ A 3 4.588 12.577 -8.028 1.00 0.05 H HETATM 1817 H16 QZ A 3 2.872 12.946 -7.647 1.00 0.05 H HETATM 1818 N8 QZ A 3 5.409 14.992 -6.885 1.00 -0.31 N HETATM 1819 C7 QZ A 3 5.673 16.308 -6.906 1.00 0.03 C HETATM 1820 C9 QZ A 3 7.036 16.660 -6.376 1.00 -0.01 C HETATM 1821 H6 QZ A 3 7.558 15.742 -6.067 1.00 0.04 H HETATM 1822 H7 QZ A 3 6.931 17.331 -5.511 1.00 0.04 H HETATM 1823 H8 QZ A 3 7.616 17.165 -7.163 1.00 0.04 H HETATM 1824 H5 QZ A 3 2.326 15.055 -8.166 1.00 0.05 H HETATM 1825 N14 QZ A 3 2.564 17.594 -8.296 1.00 -0.22 N HETATM 1826 C12 QZ A 3 2.714 18.949 -8.356 1.00 0.23 C HETATM 1827 O13 QZ A 3 1.863 19.725 -8.782 1.00 -0.40 O HETATM 1828 H17 QZ A 3 1.704 17.188 -8.606 1.00 0.24 H HETATM 1829 N16 QZ A 3 4.201 22.016 -8.104 1.00 -0.38 N CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 955 954 1655 CONECT 1290 1291 1298 1299 1300 CONECT 1298 1290 CONECT 1299 1290 CONECT 1300 1290 CONECT 1655 955 CONECT 1785 1786 1829 CONECT 1786 1785 1787 1826 CONECT 1787 1786 1788 1807 CONECT 1788 1787 1789 1793 CONECT 1789 1788 1790 1806 CONECT 1790 1789 1791 1805 CONECT 1791 1790 1792 1796 CONECT 1792 1791 1793 1795 CONECT 1793 1788 1792 1794 CONECT 1794 1793 CONECT 1795 1792 CONECT 1796 1791 1797 1804 CONECT 1797 1796 1798 1802 1803 CONECT 1798 1797 1799 1800 1801 CONECT 1799 1798 CONECT 1800 1798 CONECT 1801 1798 CONECT 1802 1797 CONECT 1803 1797 CONECT 1804 1796 CONECT 1805 1790 CONECT 1806 1789 CONECT 1807 1787 1808 1819 CONECT 1808 1807 1809 1825 CONECT 1809 1808 1810 1824 CONECT 1810 1809 1811 1818 CONECT 1811 1810 1812 1816 1817 CONECT 1812 1811 1813 1814 1815 CONECT 1813 1812 CONECT 1814 1812 CONECT 1815 1812 CONECT 1816 1811 CONECT 1817 1811 CONECT 1818 1810 1819 CONECT 1819 1807 1818 1820 CONECT 1820 1819 1821 1822 1823 CONECT 1821 1820 CONECT 1822 1820 CONECT 1823 1820 CONECT 1824 1809 CONECT 1825 1808 1826 1828 CONECT 1826 1786 1825 1827 CONECT 1827 1826 CONECT 1828 1825 CONECT 1829 1785 MASTER 0 0 0 0 0 0 0 0 1827 2 55 16 END
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Structure:
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Protein
Pocket-Ligand
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Related entries of code: 4uns
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1mrn
RCSB PDB
PDBbind
214aa, >1MRN_1|Chain... *
1mrs
RCSB PDB
PDBbind
214aa, >1MRS_1|Chain... at 100%
1w2g
RCSB PDB
PDBbind
214aa, >1W2G_1|Chains... at 100%
1w2h
RCSB PDB
PDBbind
214aa, >1W2H_1|Chains... at 100%
4unn
RCSB PDB
PDBbind
214aa, >4UNN_1|Chains... at 99%
4unp
RCSB PDB
PDBbind
210aa, >4UNP_1|Chain... at 100%
4unq
RCSB PDB
PDBbind
210aa, >4UNQ_1|Chains... at 100%
4unr
RCSB PDB
PDBbind
210aa, >4UNR_1|Chains... at 100%
5nq5
RCSB PDB
PDBbind
214aa, >5NQ5_1|Chain... at 100%
5nr7
RCSB PDB
PDBbind
214aa, >5NR7_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
4uns
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
M. Tuberculosis Thymidylate Kinase (Mtb Tmk)
Ligand Name
QZ3
EC.Number
E.C.2.7.4.9
Resolution
2.18(Å)
Affinity (Kd/Ki/IC50)
IC50=0.2uM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) J.Med.Chem. Vol. 58: pp. 753-766
Ligand Properties
Formula
C
1
9
H
1
8
N
4
O
3
S
Molecular Weight
382.436
Exact Mass
382.110
No. of atoms
45
No. of bonds
47
Polar Surface Area
124.09
LOGP Value
1.57 (
Computed with XLOGP3
)
3.86 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 3
Canonical SMILES
N#Cc1c(=O)[nH]c2c(c1c1ccc(cc1)NS(=O)(=O)C)c(C)nc(c2)CC
InChI String
InChI=1S/C19H18N4O3S/c1-4-13-9-16-17(11(2)21-13)18(15(10-20)19(24)22-16)12-5-7-14(8-6-12)23-27(3,25)26/h5-9,23H,4H2,1-3H3,(H,22,24)
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P9WKE1
Entrez Gene ID
NCBI Entrez Gene ID:
888740
ASD
Information of known allosteric effects of PDB entries
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