Browse entries in the PDBbind-CN Database
HEADER 4UNP_COMPLEX COMPND 4UNP_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 141 MET LEU ILE ALA ILE GLU GLY VAL ASP GLY ALA GLY LYS SEQRES 2 A 141 ARG THR LEU VAL GLU LYS LEU SER GLY ALA PHE ARG ALA SEQRES 3 A 141 ALA GLY ARG SER VAL ALA THR LEU ALA PHE PRO ARG TYR SEQRES 4 A 141 GLY GLN SER VAL ALA ALA ASP ILE ALA ALA GLU ALA LEU SEQRES 5 A 141 HIS GLY GLU HIS GLY ASP LEU ALA SER SER VAL TYR ALA SEQRES 6 A 141 MET ALA THR LEU PHE ALA LEU ASP ARG ALA GLY ALA VAL SEQRES 7 A 141 HIS THR ILE GLN GLY LEU CYS ARG GLY TYR ASP VAL VAL SEQRES 8 A 141 ILE LEU ASP ARG TYR VAL ALA SER ASN ALA ALA TYR SER SEQRES 9 A 141 ALA ALA ARG LEU HIS GLU ASN ALA ALA GLY LYS ALA ALA SEQRES 10 A 141 ALA TRP VAL GLN ARG ILE GLU PHE ALA ARG LEU GLY LEU SEQRES 11 A 141 PRO LYS PRO ASP TRP GLN VAL LEU LEU ALA VAL SEQRES 1 A 42 ALA GLU LEU GLN GLN ARG THR GLY ALA VAL TYR ALA GLU SEQRES 2 A 42 LEU ALA ALA GLN GLY TRP GLY GLY ARG TRP LEU VAL VAL SEQRES 3 A 42 GLY ALA ASP VAL ASP PRO GLY ARG LEU ALA ALA THR LEU SEQRES 4 A 42 ALA PRO PRO HET TXW A 231 29 ATOM 1 N MET A 1 42.278 7.541 62.379 1.00 53.50 N ATOM 2 CA MET A 1 41.452 8.532 63.171 1.00 52.45 C ATOM 3 C MET A 1 41.998 9.965 63.019 1.00 49.37 C ATOM 4 O MET A 1 43.071 10.267 63.532 1.00 48.09 O ATOM 5 CB MET A 1 41.398 8.151 64.645 1.00 53.21 C ATOM 6 CG MET A 1 40.847 9.281 65.585 1.00 57.39 C ATOM 7 SD MET A 1 39.080 9.383 65.996 1.00 65.69 S ATOM 8 CE MET A 1 38.237 8.102 65.023 1.00 67.01 C ATOM 9 HN3 MET A 1 43.260 7.559 62.720 1.00 0.00 H ATOM 10 HN2 MET A 1 42.255 7.799 61.372 1.00 0.00 H ATOM 11 HN1 MET A 1 41.884 6.586 62.503 1.00 0.00 H ATOM 12 N LEU A 2 41.222 10.822 62.343 1.00 46.96 N ATOM 13 CA LEU A 2 41.617 12.179 62.010 1.00 44.73 C ATOM 14 C LEU A 2 40.814 13.211 62.780 1.00 42.74 C ATOM 15 O LEU A 2 39.607 13.334 62.618 1.00 42.35 O ATOM 16 CB LEU A 2 41.479 12.412 60.485 1.00 44.93 C ATOM 17 CG LEU A 2 42.120 13.689 59.942 1.00 43.96 C ATOM 18 CD1 LEU A 2 43.580 13.600 60.214 1.00 43.54 C ATOM 19 CD2 LEU A 2 41.828 13.906 58.450 1.00 41.42 C ATOM 20 H LEU A 2 40.282 10.497 62.039 1.00 0.00 H ATOM 21 N ILE A 3 41.516 13.977 63.604 1.00 41.37 N ATOM 22 CA ILE A 3 40.917 14.955 64.496 1.00 40.02 C ATOM 23 C ILE A 3 41.429 16.342 64.128 1.00 39.77 C ATOM 24 O ILE A 3 42.618 16.571 64.096 1.00 39.04 O ATOM 25 CB ILE A 3 41.261 14.636 65.947 1.00 40.15 C ATOM 26 CG1 ILE A 3 40.738 13.234 66.297 1.00 41.69 C ATOM 27 CG2 ILE A 3 40.680 15.645 66.880 1.00 38.37 C ATOM 28 CD1 ILE A 3 41.283 12.667 67.601 1.00 43.88 C ATOM 29 H ILE A 3 42.551 13.872 63.612 1.00 0.00 H ATOM 30 N ALA A 4 40.512 17.277 63.846 1.00 39.43 N ATOM 31 CA ALA A 4 40.889 18.643 63.587 1.00 38.33 C ATOM 32 C ALA A 4 40.573 19.476 64.793 1.00 38.96 C ATOM 33 O ALA A 4 39.453 19.486 65.250 1.00 40.88 O ATOM 34 CB ALA A 4 40.164 19.170 62.388 1.00 37.23 C ATOM 35 H ALA A 4 39.507 17.011 63.813 1.00 0.00 H ATOM 36 N ILE A 5 41.545 20.217 65.314 1.00 39.41 N ATOM 37 CA ILE A 5 41.250 21.132 66.418 1.00 39.36 C ATOM 38 C ILE A 5 41.060 22.543 65.857 1.00 40.40 C ATOM 39 O ILE A 5 41.905 23.076 65.143 1.00 39.45 O ATOM 40 CB ILE A 5 42.303 21.068 67.509 1.00 39.52 C ATOM 41 CG1 ILE A 5 42.565 19.602 67.906 1.00 39.12 C ATOM 42 CG2 ILE A 5 41.874 21.872 68.722 1.00 38.95 C ATOM 43 CD1 ILE A 5 41.488 18.922 68.697 1.00 40.91 C ATOM 44 H ILE A 5 42.512 20.147 64.939 1.00 0.00 H ATOM 45 N GLU A 6 39.889 23.115 66.120 1.00 41.47 N ATOM 46 CA GLU A 6 39.515 24.369 65.539 1.00 41.53 C ATOM 47 C GLU A 6 39.198 25.346 66.615 1.00 44.13 C ATOM 48 O GLU A 6 38.952 24.993 67.766 1.00 44.72 O ATOM 49 CB GLU A 6 38.316 24.240 64.639 1.00 41.66 C ATOM 50 CG GLU A 6 38.497 23.266 63.510 1.00 41.80 C ATOM 51 CD GLU A 6 39.334 23.801 62.354 1.00 42.33 C ATOM 52 OE1 GLU A 6 39.826 24.960 62.414 1.00 44.58 O ATOM 53 OE2 GLU A 6 39.480 23.041 61.378 1.00 44.29 O ATOM 54 H GLU A 6 39.227 22.639 66.765 1.00 0.00 H ATOM 55 N GLY A 7 39.252 26.608 66.225 1.00 45.92 N ATOM 56 CA GLY A 7 39.015 27.669 67.127 1.00 49.04 C ATOM 57 C GLY A 7 39.824 28.911 66.860 1.00 51.03 C ATOM 58 O GLY A 7 40.766 28.954 66.061 1.00 50.90 O ATOM 59 H GLY A 7 39.474 26.824 65.232 1.00 0.00 H ATOM 60 N VAL A 8 39.445 29.926 67.602 1.00 54.28 N ATOM 61 CA VAL A 8 39.915 31.286 67.417 1.00 56.48 C ATOM 62 C VAL A 8 41.154 31.591 68.298 1.00 58.39 C ATOM 63 O VAL A 8 41.927 32.492 67.981 1.00 59.12 O ATOM 64 CB VAL A 8 38.677 32.233 67.660 1.00 58.08 C ATOM 65 CG1 VAL A 8 38.844 33.122 68.877 1.00 60.19 C ATOM 66 CG2 VAL A 8 38.318 32.963 66.404 1.00 57.75 C ATOM 67 H VAL A 8 38.767 29.744 68.369 1.00 0.00 H ATOM 68 N ASP A 9 41.336 30.817 69.377 1.00 60.69 N ATOM 69 CA ASP A 9 42.443 31.004 70.361 1.00 62.96 C ATOM 70 C ASP A 9 43.699 30.097 70.139 1.00 62.09 C ATOM 71 O ASP A 9 43.759 28.950 70.632 1.00 62.39 O ATOM 72 CB ASP A 9 41.929 30.750 71.778 1.00 64.56 C ATOM 73 CG ASP A 9 42.962 31.097 72.838 1.00 68.47 C ATOM 74 OD1 ASP A 9 43.784 32.003 72.576 1.00 72.53 O ATOM 75 OD2 ASP A 9 42.946 30.489 73.937 1.00 71.65 O ATOM 76 H ASP A 9 40.665 30.039 69.539 1.00 0.00 H ATOM 77 N GLY A 10 44.706 30.640 69.447 1.00 61.26 N ATOM 78 CA GLY A 10 45.846 29.860 68.957 1.00 59.54 C ATOM 79 C GLY A 10 46.687 29.236 70.054 1.00 59.71 C ATOM 80 O GLY A 10 47.131 28.081 69.935 1.00 58.47 O ATOM 81 H GLY A 10 44.679 31.660 69.248 1.00 0.00 H ATOM 82 N ALA A 11 46.939 30.009 71.108 1.00 60.84 N ATOM 83 CA ALA A 11 47.713 29.517 72.255 1.00 61.53 C ATOM 84 C ALA A 11 46.935 28.377 72.958 1.00 60.48 C ATOM 85 O ALA A 11 47.518 27.359 73.344 1.00 59.98 O ATOM 86 CB ALA A 11 48.012 30.670 73.228 1.00 63.95 C ATOM 87 H ALA A 11 46.579 30.985 71.119 1.00 0.00 H ATOM 88 N GLY A 12 45.610 28.574 73.068 1.00 59.71 N ATOM 89 CA GLY A 12 44.663 27.619 73.614 1.00 57.99 C ATOM 90 C GLY A 12 44.608 26.343 72.814 1.00 54.96 C ATOM 91 O GLY A 12 44.664 25.275 73.395 1.00 54.70 O ATOM 92 H GLY A 12 45.233 29.484 72.735 1.00 0.00 H ATOM 93 N LYS A 13 44.473 26.432 71.497 1.00 52.99 N ATOM 94 CA LYS A 13 44.469 25.209 70.657 1.00 51.14 C ATOM 95 C LYS A 13 45.759 24.416 70.780 1.00 49.83 C ATOM 96 O LYS A 13 45.747 23.200 70.799 1.00 48.77 O ATOM 97 CB LYS A 13 44.254 25.507 69.170 1.00 49.88 C ATOM 98 CG LYS A 13 42.919 26.106 68.847 1.00 52.30 C ATOM 99 CD LYS A 13 42.771 26.352 67.327 1.00 54.69 C ATOM 100 CE LYS A 13 43.589 27.570 66.838 1.00 56.43 C ATOM 101 NZ LYS A 13 45.050 27.217 66.523 1.00 59.37 N ATOM 102 HZ1 LYS A 13 45.509 26.849 67.380 1.00 0.00 H ATOM 103 HZ2 LYS A 13 45.077 26.494 65.776 1.00 0.00 H ATOM 104 HZ3 LYS A 13 45.550 28.070 66.200 1.00 0.00 H ATOM 105 H LYS A 13 44.369 27.366 71.050 1.00 0.00 H ATOM 106 N ARG A 14 46.874 25.103 70.785 1.00 49.84 N ATOM 107 CA ARG A 14 48.152 24.421 70.812 1.00 50.45 C ATOM 108 C ARG A 14 48.305 23.621 72.058 1.00 50.24 C ATOM 109 O ARG A 14 48.752 22.474 72.006 1.00 50.28 O ATOM 110 CB ARG A 14 49.306 25.403 70.783 1.00 52.00 C ATOM 111 CG ARG A 14 49.841 25.620 69.409 1.00 55.19 C ATOM 112 CD ARG A 14 50.627 26.959 69.349 1.00 60.55 C ATOM 113 NE ARG A 14 50.044 27.711 68.254 1.00 63.61 N ATOM 114 CZ ARG A 14 49.830 29.024 68.227 1.00 64.67 C ATOM 115 NH1 ARG A 14 50.169 29.808 69.261 1.00 62.36 N ATOM 116 NH2 ARG A 14 49.248 29.541 67.136 1.00 64.86 N ATOM 117 HE ARG A 14 49.767 27.172 67.409 1.00 0.00 H ATOM 118 HH12 ARG A 14 49.992 30.832 69.217 1.00 0.00 H ATOM 119 HH11 ARG A 14 50.609 29.392 70.107 1.00 0.00 H ATOM 120 HH22 ARG A 14 49.065 30.563 67.079 1.00 0.00 H ATOM 121 HH21 ARG A 14 48.979 28.920 66.346 1.00 0.00 H ATOM 122 H ARG A 14 46.842 26.142 70.770 1.00 0.00 H ATOM 123 N THR A 15 47.991 24.244 73.181 1.00 50.54 N ATOM 124 CA THR A 15 48.025 23.573 74.461 1.00 51.10 C ATOM 125 C THR A 15 47.074 22.373 74.414 1.00 49.59 C ATOM 126 O THR A 15 47.452 21.267 74.803 1.00 49.36 O ATOM 127 CB THR A 15 47.707 24.563 75.603 1.00 53.17 C ATOM 128 OG1 THR A 15 48.849 25.421 75.798 1.00 56.30 O ATOM 129 CG2 THR A 15 47.354 23.849 76.920 1.00 52.98 C ATOM 130 HG1 THR A 15 48.658 26.061 76.528 1.00 0.00 H ATOM 131 H THR A 15 47.712 25.245 73.142 1.00 0.00 H ATOM 132 N LEU A 16 45.883 22.558 73.856 1.00 47.72 N ATOM 133 CA LEU A 16 44.961 21.448 73.777 1.00 46.81 C ATOM 134 C LEU A 16 45.531 20.318 72.925 1.00 46.15 C ATOM 135 O LEU A 16 45.384 19.162 73.278 1.00 47.02 O ATOM 136 CB LEU A 16 43.595 21.882 73.241 1.00 46.14 C ATOM 137 CG LEU A 16 42.592 20.720 73.128 1.00 46.45 C ATOM 138 CD1 LEU A 16 42.399 20.077 74.522 1.00 44.74 C ATOM 139 CD2 LEU A 16 41.251 21.143 72.477 1.00 44.57 C ATOM 140 H LEU A 16 45.617 23.491 73.480 1.00 0.00 H ATOM 141 N VAL A 17 46.163 20.641 71.800 1.00 45.58 N ATOM 142 CA VAL A 17 46.688 19.628 70.906 1.00 45.04 C ATOM 143 C VAL A 17 47.706 18.803 71.647 1.00 46.91 C ATOM 144 O VAL A 17 47.767 17.593 71.505 1.00 46.48 O ATOM 145 CB VAL A 17 47.351 20.219 69.630 1.00 44.09 C ATOM 146 CG1 VAL A 17 48.188 19.136 68.911 1.00 42.11 C ATOM 147 CG2 VAL A 17 46.305 20.756 68.708 1.00 43.18 C ATOM 148 H VAL A 17 46.283 21.645 71.556 1.00 0.00 H ATOM 149 N GLU A 18 48.510 19.462 72.443 1.00 49.58 N ATOM 150 CA GLU A 18 49.590 18.776 73.083 1.00 52.68 C ATOM 151 C GLU A 18 49.117 17.864 74.220 1.00 52.55 C ATOM 152 O GLU A 18 49.652 16.765 74.431 1.00 52.95 O ATOM 153 CB GLU A 18 50.586 19.798 73.605 1.00 54.98 C ATOM 154 CG GLU A 18 51.877 19.164 74.067 1.00 61.70 C ATOM 155 CD GLU A 18 52.913 20.222 74.481 1.00 71.15 C ATOM 156 OE1 GLU A 18 52.822 21.393 73.970 1.00 73.00 O ATOM 157 OE2 GLU A 18 53.799 19.868 75.326 1.00 75.63 O ATOM 158 H GLU A 18 48.364 20.478 72.609 1.00 0.00 H ATOM 159 N LYS A 19 48.137 18.336 74.969 1.00 51.71 N ATOM 160 CA LYS A 19 47.610 17.539 76.054 1.00 52.09 C ATOM 161 C LYS A 19 46.754 16.374 75.567 1.00 48.98 C ATOM 162 O LYS A 19 46.724 15.315 76.185 1.00 48.84 O ATOM 163 CB LYS A 19 46.784 18.422 76.973 1.00 53.90 C ATOM 164 CG LYS A 19 47.616 19.329 77.831 1.00 59.23 C ATOM 165 CD LYS A 19 46.714 20.173 78.732 1.00 66.65 C ATOM 166 CE LYS A 19 47.523 20.824 79.862 1.00 72.40 C ATOM 167 NZ LYS A 19 46.868 22.099 80.331 1.00 77.00 N ATOM 168 HZ1 LYS A 19 46.806 22.768 79.537 1.00 0.00 H ATOM 169 HZ2 LYS A 19 45.913 21.887 80.683 1.00 0.00 H ATOM 170 HZ3 LYS A 19 47.436 22.518 81.095 1.00 0.00 H ATOM 171 H LYS A 19 47.745 19.280 74.778 1.00 0.00 H ATOM 172 N LEU A 20 46.044 16.580 74.476 1.00 46.09 N ATOM 173 CA LEU A 20 45.310 15.502 73.822 1.00 45.40 C ATOM 174 C LEU A 20 46.290 14.465 73.303 1.00 45.05 C ATOM 175 O LEU A 20 46.097 13.278 73.458 1.00 45.73 O ATOM 176 CB LEU A 20 44.529 16.075 72.663 1.00 44.42 C ATOM 177 CG LEU A 20 43.194 15.578 72.205 1.00 45.96 C ATOM 178 CD1 LEU A 20 42.293 15.062 73.374 1.00 46.44 C ATOM 179 CD2 LEU A 20 42.559 16.755 71.451 1.00 45.21 C ATOM 180 H LEU A 20 46.006 17.537 74.070 1.00 0.00 H ATOM 181 N SER A 21 47.364 14.909 72.685 1.00 44.63 N ATOM 182 CA SER A 21 48.390 13.969 72.242 1.00 45.33 C ATOM 183 C SER A 21 48.891 13.120 73.391 1.00 46.00 C ATOM 184 O SER A 21 49.054 11.918 73.249 1.00 47.36 O ATOM 185 CB SER A 21 49.568 14.721 71.609 1.00 45.43 C ATOM 186 OG SER A 21 49.089 15.490 70.512 1.00 45.75 O ATOM 187 HG SER A 21 48.413 16.137 70.834 1.00 0.00 H ATOM 188 H SER A 21 47.482 15.928 72.512 1.00 0.00 H ATOM 189 N GLY A 22 49.145 13.757 74.523 1.00 46.33 N ATOM 190 CA GLY A 22 49.582 13.067 75.727 1.00 46.96 C ATOM 191 C GLY A 22 48.586 12.069 76.289 1.00 45.97 C ATOM 192 O GLY A 22 48.998 11.017 76.732 1.00 46.36 O ATOM 193 H GLY A 22 49.028 14.790 74.553 1.00 0.00 H ATOM 194 N ALA A 23 47.295 12.423 76.296 1.00 44.40 N ATOM 195 CA ALA A 23 46.222 11.509 76.669 1.00 43.84 C ATOM 196 C ALA A 23 46.246 10.275 75.777 1.00 43.85 C ATOM 197 O ALA A 23 46.176 9.154 76.261 1.00 43.93 O ATOM 198 CB ALA A 23 44.865 12.166 76.547 1.00 42.68 C ATOM 199 H ALA A 23 47.046 13.395 76.023 1.00 0.00 H ATOM 200 N PHE A 24 46.292 10.467 74.467 1.00 43.18 N ATOM 201 CA PHE A 24 46.271 9.310 73.579 1.00 43.63 C ATOM 202 C PHE A 24 47.489 8.456 73.768 1.00 44.56 C ATOM 203 O PHE A 24 47.372 7.233 73.739 1.00 45.60 O ATOM 204 CB PHE A 24 46.133 9.700 72.123 1.00 42.56 C ATOM 205 CG PHE A 24 44.791 10.214 71.764 1.00 43.31 C ATOM 206 CD1 PHE A 24 43.678 9.427 71.903 1.00 44.11 C ATOM 207 CD2 PHE A 24 44.643 11.474 71.253 1.00 43.10 C ATOM 208 CE1 PHE A 24 42.472 9.895 71.558 1.00 45.94 C ATOM 209 CE2 PHE A 24 43.437 11.939 70.897 1.00 43.38 C ATOM 210 CZ PHE A 24 42.341 11.163 71.057 1.00 44.23 C ATOM 211 H PHE A 24 46.342 11.430 74.077 1.00 0.00 H ATOM 212 N ARG A 25 48.633 9.079 74.008 1.00 44.93 N ATOM 213 CA ARG A 25 49.852 8.316 74.212 1.00 47.49 C ATOM 214 C ARG A 25 49.908 7.611 75.533 1.00 48.99 C ATOM 215 O ARG A 25 50.541 6.559 75.635 1.00 51.32 O ATOM 216 CB ARG A 25 51.066 9.198 74.063 1.00 48.14 C ATOM 217 CG ARG A 25 51.316 9.560 72.624 1.00 48.67 C ATOM 218 CD ARG A 25 52.392 10.631 72.533 1.00 53.13 C ATOM 219 NE ARG A 25 52.671 10.974 71.145 1.00 53.80 N ATOM 220 CZ ARG A 25 52.954 12.198 70.696 1.00 53.87 C ATOM 221 NH1 ARG A 25 53.005 13.243 71.511 1.00 54.00 N ATOM 222 NH2 ARG A 25 53.172 12.380 69.399 1.00 53.70 N ATOM 223 HE ARG A 25 52.648 10.203 70.448 1.00 0.00 H ATOM 224 HH12 ARG A 25 53.228 14.186 71.134 1.00 0.00 H ATOM 225 HH11 ARG A 25 52.822 13.119 72.527 1.00 0.00 H ATOM 226 HH22 ARG A 25 53.393 13.330 69.037 1.00 0.00 H ATOM 227 HH21 ARG A 25 53.121 11.573 68.745 1.00 0.00 H ATOM 228 H ARG A 25 48.658 10.118 74.051 1.00 0.00 H ATOM 229 N ALA A 26 49.247 8.174 76.548 1.00 49.55 N ATOM 230 CA ALA A 26 49.096 7.501 77.837 1.00 50.34 C ATOM 231 C ALA A 26 48.289 6.211 77.651 1.00 50.42 C ATOM 232 O ALA A 26 48.564 5.212 78.336 1.00 52.17 O ATOM 233 CB ALA A 26 48.442 8.417 78.871 1.00 50.18 C ATOM 234 H ALA A 26 48.828 9.117 76.418 1.00 0.00 H ATOM 235 N ALA A 27 47.332 6.236 76.712 1.00 48.56 N ATOM 236 CA ALA A 27 46.515 5.058 76.367 1.00 48.90 C ATOM 237 C ALA A 27 47.282 4.073 75.505 1.00 50.60 C ATOM 238 O ALA A 27 46.759 3.039 75.140 1.00 50.88 O ATOM 239 CB ALA A 27 45.216 5.461 75.664 1.00 45.75 C ATOM 240 H ALA A 27 47.158 7.127 76.204 1.00 0.00 H ATOM 241 N GLY A 28 48.522 4.395 75.160 1.00 52.62 N ATOM 242 CA GLY A 28 49.325 3.525 74.294 1.00 54.52 C ATOM 243 C GLY A 28 49.136 3.737 72.792 1.00 54.57 C ATOM 244 O GLY A 28 49.557 2.905 71.997 1.00 55.71 O ATOM 245 H GLY A 28 48.933 5.283 75.511 1.00 0.00 H ATOM 246 N ARG A 29 48.494 4.830 72.397 1.00 53.66 N ATOM 247 CA ARG A 29 48.290 5.118 70.977 1.00 53.95 C ATOM 248 C ARG A 29 49.496 5.896 70.397 1.00 53.19 C ATOM 249 O ARG A 29 50.207 6.627 71.117 1.00 53.68 O ATOM 250 CB ARG A 29 46.997 5.897 70.769 1.00 53.21 C ATOM 251 CG ARG A 29 45.773 5.258 71.431 1.00 57.98 C ATOM 252 CD ARG A 29 45.061 4.331 70.499 1.00 66.48 C ATOM 253 NE ARG A 29 43.876 4.937 69.885 1.00 73.95 N ATOM 254 CZ ARG A 29 43.180 4.389 68.876 1.00 80.92 C ATOM 255 NH1 ARG A 29 43.547 3.207 68.340 1.00 83.60 N ATOM 256 NH2 ARG A 29 42.113 5.033 68.384 1.00 82.06 N ATOM 257 HE ARG A 29 43.553 5.853 70.256 1.00 0.00 H ATOM 258 HH12 ARG A 29 42.996 2.797 67.559 1.00 0.00 H ATOM 259 HH11 ARG A 29 44.381 2.706 68.708 1.00 0.00 H ATOM 260 HH22 ARG A 29 41.568 4.616 67.603 1.00 0.00 H ATOM 261 HH21 ARG A 29 41.829 5.950 68.784 1.00 0.00 H ATOM 262 H ARG A 29 48.129 5.494 73.110 1.00 0.00 H ATOM 263 N SER A 30 49.751 5.717 69.111 1.00 51.68 N ATOM 264 CA SER A 30 50.720 6.560 68.448 1.00 51.40 C ATOM 265 C SER A 30 49.981 7.789 67.871 1.00 48.59 C ATOM 266 O SER A 30 48.918 7.657 67.275 1.00 48.26 O ATOM 267 CB SER A 30 51.387 5.783 67.337 1.00 52.39 C ATOM 268 OG SER A 30 50.421 5.583 66.326 1.00 53.77 O ATOM 269 HG SER A 30 50.104 6.461 65.995 1.00 0.00 H ATOM 270 H SER A 30 49.256 4.973 68.579 1.00 0.00 H ATOM 271 N VAL A 31 50.536 8.977 68.071 1.00 47.20 N ATOM 272 CA VAL A 31 49.903 10.222 67.630 1.00 44.90 C ATOM 273 C VAL A 31 50.895 10.970 66.768 1.00 45.81 C ATOM 274 O VAL A 31 52.058 11.000 67.127 1.00 46.47 O ATOM 275 CB VAL A 31 49.508 11.098 68.829 1.00 43.59 C ATOM 276 CG1 VAL A 31 48.806 12.320 68.344 1.00 40.69 C ATOM 277 CG2 VAL A 31 48.634 10.274 69.821 1.00 40.76 C ATOM 278 H VAL A 31 51.453 9.026 68.558 1.00 0.00 H ATOM 279 N ALA A 32 50.451 11.512 65.621 1.00 45.97 N ATOM 280 CA ALA A 32 51.202 12.553 64.854 1.00 46.04 C ATOM 281 C ALA A 32 50.365 13.818 64.824 1.00 45.73 C ATOM 282 O ALA A 32 49.128 13.737 64.779 1.00 45.21 O ATOM 283 CB ALA A 32 51.470 12.120 63.449 1.00 45.61 C ATOM 284 H ALA A 32 49.536 11.190 65.247 1.00 0.00 H ATOM 285 N THR A 33 51.031 14.973 64.853 1.00 45.88 N ATOM 286 CA THR A 33 50.370 16.271 64.824 1.00 45.08 C ATOM 287 C THR A 33 50.877 17.084 63.644 1.00 45.18 C ATOM 288 O THR A 33 52.066 17.003 63.282 1.00 45.89 O ATOM 289 CB THR A 33 50.637 17.097 66.115 1.00 45.65 C ATOM 290 OG1 THR A 33 52.011 17.461 66.189 1.00 47.52 O ATOM 291 CG2 THR A 33 50.329 16.284 67.373 1.00 46.88 C ATOM 292 HG1 THR A 33 52.250 18.007 65.399 1.00 0.00 H ATOM 293 H THR A 33 52.070 14.946 64.898 1.00 0.00 H ATOM 294 N LEU A 34 49.992 17.905 63.089 1.00 43.27 N ATOM 295 CA LEU A 34 50.317 18.748 61.970 1.00 43.51 C ATOM 296 C LEU A 34 49.528 20.046 62.089 1.00 41.48 C ATOM 297 O LEU A 34 48.337 20.000 62.329 1.00 41.20 O ATOM 298 CB LEU A 34 49.971 18.016 60.677 1.00 44.13 C ATOM 299 CG LEU A 34 50.599 18.522 59.384 1.00 49.54 C ATOM 300 CD1 LEU A 34 52.199 18.651 59.479 1.00 52.88 C ATOM 301 CD2 LEU A 34 50.106 17.635 58.216 1.00 52.26 C ATOM 302 H LEU A 34 49.028 17.939 63.478 1.00 0.00 H ATOM 303 N ALA A 35 50.184 21.190 61.960 1.00 39.78 N ATOM 304 CA ALA A 35 49.503 22.506 62.055 1.00 38.82 C ATOM 305 C ALA A 35 49.414 23.178 60.700 1.00 38.26 C ATOM 306 O ALA A 35 50.418 23.246 59.964 1.00 37.99 O ATOM 307 CB ALA A 35 50.253 23.451 63.023 1.00 38.88 C ATOM 308 H ALA A 35 51.209 21.165 61.787 1.00 0.00 H ATOM 309 N PHE A 36 48.238 23.718 60.423 1.00 37.47 N ATOM 310 CA PHE A 36 47.940 24.482 59.237 1.00 37.67 C ATOM 311 C PHE A 36 47.599 25.909 59.585 1.00 38.30 C ATOM 312 O PHE A 36 47.028 26.192 60.640 1.00 40.34 O ATOM 313 CB PHE A 36 46.733 23.890 58.499 1.00 37.28 C ATOM 314 CG PHE A 36 47.042 22.590 57.811 1.00 39.51 C ATOM 315 CD1 PHE A 36 47.817 22.577 56.668 1.00 39.78 C ATOM 316 CD2 PHE A 36 46.572 21.390 58.323 1.00 41.25 C ATOM 317 CE1 PHE A 36 48.137 21.402 56.046 1.00 40.81 C ATOM 318 CE2 PHE A 36 46.880 20.183 57.707 1.00 42.32 C ATOM 319 CZ PHE A 36 47.662 20.185 56.565 1.00 43.31 C ATOM 320 H PHE A 36 47.471 23.581 61.112 1.00 0.00 H ATOM 321 N PRO A 37 47.965 26.846 58.713 1.00 38.14 N ATOM 322 CA PRO A 37 48.832 26.714 57.538 1.00 37.30 C ATOM 323 C PRO A 37 50.253 26.298 57.877 1.00 37.18 C ATOM 324 O PRO A 37 50.712 26.502 58.987 1.00 36.89 O ATOM 325 CB PRO A 37 48.837 28.138 56.969 1.00 37.92 C ATOM 326 CG PRO A 37 47.554 28.729 57.464 1.00 38.01 C ATOM 327 CD PRO A 37 47.463 28.220 58.860 1.00 38.75 C ATOM 328 N ARG A 38 50.966 25.720 56.927 1.00 37.23 N ATOM 329 CA ARG A 38 52.295 25.264 57.226 1.00 38.19 C ATOM 330 C ARG A 38 53.280 26.355 56.888 1.00 39.76 C ATOM 331 O ARG A 38 54.100 26.230 55.975 1.00 40.41 O ATOM 332 CB ARG A 38 52.583 24.009 56.459 1.00 38.94 C ATOM 333 CG ARG A 38 51.692 22.852 56.924 1.00 39.40 C ATOM 334 CD ARG A 38 51.950 21.614 56.130 1.00 39.91 C ATOM 335 NE ARG A 38 51.694 21.874 54.716 1.00 43.79 N ATOM 336 CZ ARG A 38 52.187 21.143 53.724 1.00 48.77 C ATOM 337 NH1 ARG A 38 52.957 20.082 54.003 1.00 52.65 N ATOM 338 NH2 ARG A 38 51.910 21.456 52.460 1.00 47.00 N ATOM 339 HE ARG A 38 51.087 22.683 54.471 1.00 0.00 H ATOM 340 HH12 ARG A 38 53.347 19.505 53.231 1.00 0.00 H ATOM 341 HH11 ARG A 38 53.165 19.836 54.992 1.00 0.00 H ATOM 342 HH22 ARG A 38 52.298 20.881 51.685 1.00 0.00 H ATOM 343 HH21 ARG A 38 51.306 22.275 52.248 1.00 0.00 H ATOM 344 H ARG A 38 50.570 25.596 55.973 1.00 0.00 H ATOM 345 N TYR A 39 53.187 27.438 57.632 1.00 40.35 N ATOM 346 CA TYR A 39 54.114 28.545 57.471 1.00 42.29 C ATOM 347 C TYR A 39 55.528 28.044 57.613 1.00 44.72 C ATOM 348 O TYR A 39 55.814 27.230 58.481 1.00 44.25 O ATOM 349 CB TYR A 39 53.887 29.570 58.548 1.00 42.23 C ATOM 350 CG TYR A 39 52.501 30.124 58.556 1.00 40.68 C ATOM 351 CD1 TYR A 39 52.003 30.743 57.443 1.00 39.61 C ATOM 352 CD2 TYR A 39 51.688 30.030 59.686 1.00 39.91 C ATOM 353 CE1 TYR A 39 50.711 31.285 57.454 1.00 42.85 C ATOM 354 CE2 TYR A 39 50.410 30.576 59.707 1.00 37.90 C ATOM 355 CZ TYR A 39 49.929 31.193 58.585 1.00 40.50 C ATOM 356 OH TYR A 39 48.654 31.720 58.543 1.00 45.30 O ATOM 357 HH TYR A 39 48.493 32.121 57.652 1.00 0.00 H ATOM 358 H TYR A 39 52.436 27.502 58.348 1.00 0.00 H ATOM 359 N GLY A 40 56.398 28.549 56.744 1.00 47.95 N ATOM 360 CA GLY A 40 57.796 28.116 56.668 1.00 50.93 C ATOM 361 C GLY A 40 58.038 26.827 55.868 1.00 52.49 C ATOM 362 O GLY A 40 59.185 26.510 55.583 1.00 55.62 O ATOM 363 H GLY A 40 56.071 29.286 56.087 1.00 0.00 H ATOM 364 N GLN A 41 56.998 26.070 55.520 1.00 51.71 N ATOM 365 CA GLN A 41 57.149 24.884 54.661 1.00 53.29 C ATOM 366 C GLN A 41 56.394 25.014 53.357 1.00 51.01 C ATOM 367 O GLN A 41 56.695 24.312 52.404 1.00 53.29 O ATOM 368 CB GLN A 41 56.622 23.608 55.335 1.00 53.98 C ATOM 369 CG GLN A 41 57.180 23.352 56.733 1.00 61.13 C ATOM 370 CD GLN A 41 56.349 22.314 57.506 1.00 68.52 C ATOM 371 OE1 GLN A 41 56.363 21.120 57.151 1.00 74.51 O ATOM 372 NE2 GLN A 41 55.607 22.764 58.552 1.00 67.08 N ATOM 373 HE22 GLN A 41 55.629 23.771 58.810 1.00 0.00 H ATOM 374 HE21 GLN A 41 55.017 22.101 59.095 1.00 0.00 H ATOM 375 H GLN A 41 56.051 26.325 55.866 1.00 0.00 H ATOM 376 N SER A 42 55.373 25.858 53.330 1.00 47.34 N ATOM 377 CA SER A 42 54.580 25.993 52.176 1.00 44.53 C ATOM 378 C SER A 42 54.684 27.409 51.721 1.00 42.75 C ATOM 379 O SER A 42 54.299 28.332 52.453 1.00 42.42 O ATOM 380 CB SER A 42 53.127 25.640 52.495 1.00 43.40 C ATOM 381 OG SER A 42 52.239 26.164 51.503 1.00 43.71 O ATOM 382 HG SER A 42 52.471 25.783 50.619 1.00 0.00 H ATOM 383 H SER A 42 55.155 26.428 54.172 1.00 0.00 H ATOM 384 N VAL A 43 55.144 27.584 50.491 1.00 41.47 N ATOM 385 CA VAL A 43 55.306 28.909 49.969 1.00 42.09 C ATOM 386 C VAL A 43 53.933 29.537 49.743 1.00 40.09 C ATOM 387 O VAL A 43 53.800 30.723 49.878 1.00 40.67 O ATOM 388 CB VAL A 43 56.244 28.999 48.727 1.00 43.48 C ATOM 389 CG1 VAL A 43 55.688 28.183 47.516 1.00 42.79 C ATOM 390 CG2 VAL A 43 56.368 30.437 48.337 1.00 44.70 C ATOM 391 H VAL A 43 55.387 26.760 49.904 1.00 0.00 H ATOM 392 N ALA A 44 52.888 28.756 49.475 1.00 38.85 N ATOM 393 CA ALA A 44 51.537 29.326 49.351 1.00 37.20 C ATOM 394 C ALA A 44 51.035 29.975 50.648 1.00 36.93 C ATOM 395 O ALA A 44 50.516 31.085 50.625 1.00 36.56 O ATOM 396 CB ALA A 44 50.538 28.263 48.893 1.00 36.92 C ATOM 397 H ALA A 44 53.028 27.733 49.352 1.00 0.00 H ATOM 398 N ALA A 45 51.159 29.265 51.768 1.00 37.10 N ATOM 399 CA ALA A 45 50.823 29.788 53.124 1.00 36.31 C ATOM 400 C ALA A 45 51.600 31.077 53.419 1.00 37.59 C ATOM 401 O ALA A 45 51.027 32.094 53.852 1.00 36.98 O ATOM 402 CB ALA A 45 51.217 28.758 54.172 1.00 36.40 C ATOM 403 H ALA A 45 51.511 28.289 51.693 1.00 0.00 H ATOM 404 N ASP A 46 52.920 30.999 53.252 1.00 37.69 N ATOM 405 CA ASP A 46 53.744 32.156 53.480 1.00 39.69 C ATOM 406 C ASP A 46 53.321 33.349 52.640 1.00 39.46 C ATOM 407 O ASP A 46 53.218 34.453 53.158 1.00 40.88 O ATOM 408 CB ASP A 46 55.201 31.843 53.174 1.00 41.30 C ATOM 409 CG ASP A 46 55.833 30.930 54.190 1.00 45.40 C ATOM 410 OD1 ASP A 46 55.326 30.826 55.352 1.00 48.28 O ATOM 411 OD2 ASP A 46 56.882 30.336 53.819 1.00 53.96 O ATOM 412 H ASP A 46 53.354 30.101 52.957 1.00 0.00 H ATOM 413 N ILE A 47 53.086 33.152 51.340 1.00 38.93 N ATOM 414 CA ILE A 47 52.646 34.269 50.505 1.00 38.42 C ATOM 415 C ILE A 47 51.342 34.854 51.031 1.00 38.21 C ATOM 416 O ILE A 47 51.161 36.071 51.065 1.00 40.42 O ATOM 417 CB ILE A 47 52.507 33.856 48.995 1.00 37.80 C ATOM 418 CG1 ILE A 47 53.889 33.751 48.356 1.00 37.85 C ATOM 419 CG2 ILE A 47 51.684 34.858 48.193 1.00 34.20 C ATOM 420 CD1 ILE A 47 53.894 33.013 47.043 1.00 39.60 C ATOM 421 H ILE A 47 53.215 32.208 50.923 1.00 0.00 H ATOM 422 N ALA A 48 50.428 33.994 51.441 1.00 37.85 N ATOM 423 CA ALA A 48 49.124 34.420 51.904 1.00 37.53 C ATOM 424 C ALA A 48 49.278 35.306 53.144 1.00 38.88 C ATOM 425 O ALA A 48 48.660 36.351 53.233 1.00 39.04 O ATOM 426 CB ALA A 48 48.257 33.231 52.190 1.00 35.79 C ATOM 427 H ALA A 48 50.652 32.978 51.431 1.00 0.00 H ATOM 428 N ALA A 49 50.148 34.902 54.066 1.00 39.40 N ATOM 429 CA ALA A 49 50.315 35.629 55.308 1.00 40.88 C ATOM 430 C ALA A 49 51.012 36.947 55.012 1.00 42.32 C ATOM 431 O ALA A 49 50.593 37.980 55.523 1.00 42.63 O ATOM 432 CB ALA A 49 51.112 34.807 56.318 1.00 41.18 C ATOM 433 H ALA A 49 50.718 34.050 53.892 1.00 0.00 H ATOM 434 N GLU A 50 52.060 36.909 54.181 1.00 42.59 N ATOM 435 CA GLU A 50 52.753 38.134 53.750 1.00 43.58 C ATOM 436 C GLU A 50 51.800 39.097 53.092 1.00 43.59 C ATOM 437 O GLU A 50 51.746 40.257 53.443 1.00 45.45 O ATOM 438 CB GLU A 50 53.890 37.818 52.801 1.00 43.72 C ATOM 439 CG GLU A 50 54.947 36.979 53.471 1.00 46.01 C ATOM 440 CD GLU A 50 55.819 36.177 52.516 1.00 48.17 C ATOM 441 OE1 GLU A 50 55.849 36.490 51.302 1.00 48.60 O ATOM 442 OE2 GLU A 50 56.517 35.248 53.003 1.00 51.81 O ATOM 443 H GLU A 50 52.394 35.989 53.830 1.00 0.00 H ATOM 444 N ALA A 51 51.003 38.620 52.162 1.00 43.31 N ATOM 445 CA ALA A 51 49.992 39.476 51.509 1.00 43.95 C ATOM 446 C ALA A 51 49.064 40.130 52.481 1.00 44.98 C ATOM 447 O ALA A 51 48.676 41.275 52.294 1.00 48.13 O ATOM 448 CB ALA A 51 49.154 38.683 50.519 1.00 41.78 C ATOM 449 H ALA A 51 51.086 37.622 51.881 1.00 0.00 H ATOM 450 N LEU A 52 48.628 39.381 53.476 1.00 45.50 N ATOM 451 CA LEU A 52 47.713 39.906 54.460 1.00 46.59 C ATOM 452 C LEU A 52 48.314 41.110 55.180 1.00 47.89 C ATOM 453 O LEU A 52 47.601 42.064 55.513 1.00 48.19 O ATOM 454 CB LEU A 52 47.367 38.822 55.438 1.00 47.03 C ATOM 455 CG LEU A 52 46.304 39.169 56.444 1.00 49.86 C ATOM 456 CD1 LEU A 52 45.080 39.661 55.690 1.00 51.77 C ATOM 457 CD2 LEU A 52 46.053 37.868 57.241 1.00 53.71 C ATOM 458 H LEU A 52 48.950 38.395 53.552 1.00 0.00 H ATOM 459 N HIS A 53 49.640 41.090 55.327 1.00 47.53 N ATOM 460 CA HIS A 53 50.379 42.187 55.924 1.00 48.44 C ATOM 461 C HIS A 53 50.899 43.242 54.951 1.00 49.48 C ATOM 462 O HIS A 53 51.778 44.018 55.278 1.00 50.68 O ATOM 463 CB HIS A 53 51.486 41.616 56.786 1.00 48.58 C ATOM 464 CG HIS A 53 50.969 40.916 58.001 1.00 47.92 C ATOM 465 ND1 HIS A 53 50.622 39.589 58.003 1.00 47.58 N ATOM 466 CD2 HIS A 53 50.706 41.373 59.250 1.00 50.82 C ATOM 467 CE1 HIS A 53 50.177 39.251 59.202 1.00 50.07 C ATOM 468 NE2 HIS A 53 50.239 40.312 59.986 1.00 49.52 N ATOM 469 H HIS A 53 50.165 40.254 55.000 1.00 0.00 H ATOM 470 N GLY A 54 50.327 43.313 53.761 1.00 49.19 N ATOM 471 CA GLY A 54 50.628 44.432 52.855 1.00 50.14 C ATOM 472 C GLY A 54 51.569 44.153 51.694 1.00 49.81 C ATOM 473 O GLY A 54 51.801 45.042 50.879 1.00 50.59 O ATOM 474 H GLY A 54 49.660 42.573 53.464 1.00 0.00 H ATOM 475 N GLU A 55 52.125 42.941 51.625 1.00 48.66 N ATOM 476 CA GLU A 55 52.992 42.530 50.513 1.00 48.20 C ATOM 477 C GLU A 55 52.178 42.021 49.312 1.00 45.52 C ATOM 478 O GLU A 55 50.990 41.740 49.411 1.00 44.87 O ATOM 479 CB GLU A 55 53.914 41.386 50.950 1.00 48.62 C ATOM 480 CG GLU A 55 54.798 41.650 52.146 1.00 53.19 C ATOM 481 CD GLU A 55 55.873 42.676 51.861 1.00 59.62 C ATOM 482 OE1 GLU A 55 56.605 42.491 50.867 1.00 64.30 O ATOM 483 OE2 GLU A 55 55.976 43.676 52.611 1.00 66.42 O ATOM 484 H GLU A 55 51.937 42.261 52.389 1.00 0.00 H ATOM 485 N HIS A 56 52.859 41.870 48.188 1.00 44.16 N ATOM 486 CA HIS A 56 52.327 41.235 47.000 1.00 41.92 C ATOM 487 C HIS A 56 51.158 42.021 46.452 1.00 41.94 C ATOM 488 O HIS A 56 50.127 41.469 46.166 1.00 39.77 O ATOM 489 CB HIS A 56 51.961 39.776 47.265 1.00 40.37 C ATOM 490 CG HIS A 56 53.050 39.020 47.935 1.00 38.22 C ATOM 491 ND1 HIS A 56 54.296 38.886 47.379 1.00 39.53 N ATOM 492 CD2 HIS A 56 53.094 38.360 49.117 1.00 39.59 C ATOM 493 CE1 HIS A 56 55.070 38.183 48.187 1.00 40.43 C ATOM 494 NE2 HIS A 56 54.374 37.871 49.261 1.00 39.54 N ATOM 495 H HIS A 56 53.835 42.229 48.155 1.00 0.00 H ATOM 496 N GLY A 57 51.369 43.316 46.268 1.00 43.74 N ATOM 497 CA GLY A 57 50.417 44.172 45.570 1.00 45.21 C ATOM 498 C GLY A 57 49.031 44.164 46.192 1.00 45.94 C ATOM 499 O GLY A 57 48.880 44.335 47.389 1.00 47.20 O ATOM 500 H GLY A 57 52.246 43.738 46.635 1.00 0.00 H ATOM 501 N ASP A 58 48.023 43.914 45.368 1.00 46.37 N ATOM 502 CA ASP A 58 46.627 43.959 45.779 1.00 46.67 C ATOM 503 C ASP A 58 46.098 42.552 46.126 1.00 44.47 C ATOM 504 O ASP A 58 44.908 42.370 46.142 1.00 44.03 O ATOM 505 CB ASP A 58 45.772 44.541 44.625 1.00 47.35 C ATOM 506 CG ASP A 58 45.791 43.655 43.347 1.00 50.51 C ATOM 507 OD1 ASP A 58 46.439 42.575 43.346 1.00 53.48 O ATOM 508 OD2 ASP A 58 45.165 44.038 42.314 1.00 56.94 O ATOM 509 H ASP A 58 48.240 43.674 44.380 1.00 0.00 H ATOM 510 N LEU A 59 46.966 41.570 46.359 1.00 42.96 N ATOM 511 CA LEU A 59 46.507 40.214 46.625 1.00 41.78 C ATOM 512 C LEU A 59 45.506 40.158 47.776 1.00 42.33 C ATOM 513 O LEU A 59 44.482 39.507 47.683 1.00 42.44 O ATOM 514 CB LEU A 59 47.688 39.279 46.885 1.00 41.20 C ATOM 515 CG LEU A 59 47.412 37.768 46.813 1.00 39.93 C ATOM 516 CD1 LEU A 59 48.691 37.037 46.543 1.00 39.37 C ATOM 517 CD2 LEU A 59 46.785 37.216 48.079 1.00 36.95 C ATOM 518 H LEU A 59 47.986 41.774 46.351 1.00 0.00 H ATOM 519 N ALA A 60 45.777 40.854 48.863 1.00 43.47 N ATOM 520 CA ALA A 60 44.911 40.767 50.036 1.00 44.88 C ATOM 521 C ALA A 60 43.637 41.602 49.893 1.00 45.71 C ATOM 522 O ALA A 60 42.790 41.585 50.768 1.00 45.02 O ATOM 523 CB ALA A 60 45.667 41.123 51.307 1.00 45.58 C ATOM 524 H ALA A 60 46.615 41.470 48.885 1.00 0.00 H ATOM 525 N SER A 61 43.478 42.257 48.748 1.00 47.02 N ATOM 526 CA SER A 61 42.195 42.883 48.403 1.00 48.64 C ATOM 527 C SER A 61 41.114 41.824 48.169 1.00 47.86 C ATOM 528 O SER A 61 39.941 42.153 48.235 1.00 50.38 O ATOM 529 CB SER A 61 42.328 43.831 47.203 1.00 49.31 C ATOM 530 OG SER A 61 41.885 43.250 45.983 1.00 51.60 O ATOM 531 HG SER A 61 42.423 42.442 45.789 1.00 0.00 H ATOM 532 H SER A 61 44.276 42.328 48.085 1.00 0.00 H ATOM 533 N SER A 62 41.505 40.564 47.946 1.00 45.15 N ATOM 534 CA SER A 62 40.566 39.468 47.710 1.00 43.75 C ATOM 535 C SER A 62 40.638 38.382 48.783 1.00 41.83 C ATOM 536 O SER A 62 41.667 37.734 48.964 1.00 39.83 O ATOM 537 CB SER A 62 40.886 38.814 46.355 1.00 43.69 C ATOM 538 OG SER A 62 40.229 37.570 46.210 1.00 45.39 O ATOM 539 HG SER A 62 40.522 36.957 46.930 1.00 0.00 H ATOM 540 H SER A 62 42.524 40.354 47.940 1.00 0.00 H ATOM 541 N VAL A 63 39.526 38.157 49.469 1.00 41.07 N ATOM 542 CA VAL A 63 39.488 37.178 50.526 1.00 40.04 C ATOM 543 C VAL A 63 39.590 35.782 49.915 1.00 38.72 C ATOM 544 O VAL A 63 40.257 34.935 50.464 1.00 37.64 O ATOM 545 CB VAL A 63 38.224 37.332 51.413 1.00 41.73 C ATOM 546 CG1 VAL A 63 38.023 36.093 52.368 1.00 39.80 C ATOM 547 CG2 VAL A 63 38.294 38.639 52.205 1.00 41.09 C ATOM 548 H VAL A 63 38.667 38.696 49.240 1.00 0.00 H ATOM 549 N TYR A 64 38.960 35.578 48.772 1.00 38.87 N ATOM 550 CA TYR A 64 39.022 34.313 48.052 1.00 38.73 C ATOM 551 C TYR A 64 40.445 33.937 47.593 1.00 37.53 C ATOM 552 O TYR A 64 40.800 32.758 47.615 1.00 36.33 O ATOM 553 CB TYR A 64 38.112 34.358 46.823 1.00 39.12 C ATOM 554 CG TYR A 64 36.670 34.157 47.173 1.00 40.93 C ATOM 555 CD1 TYR A 64 35.908 35.172 47.754 1.00 42.53 C ATOM 556 CD2 TYR A 64 36.071 32.944 46.954 1.00 41.25 C ATOM 557 CE1 TYR A 64 34.581 34.965 48.086 1.00 43.28 C ATOM 558 CE2 TYR A 64 34.767 32.726 47.283 1.00 42.94 C ATOM 559 CZ TYR A 64 34.023 33.732 47.842 1.00 44.57 C ATOM 560 OH TYR A 64 32.720 33.460 48.131 1.00 43.53 O ATOM 561 HH TYR A 64 32.297 34.262 48.527 1.00 0.00 H ATOM 562 H TYR A 64 38.396 36.353 48.369 1.00 0.00 H ATOM 563 N ALA A 65 41.219 34.943 47.167 1.00 36.89 N ATOM 564 CA ALA A 65 42.608 34.730 46.760 1.00 36.38 C ATOM 565 C ALA A 65 43.403 34.125 47.894 1.00 36.72 C ATOM 566 O ALA A 65 44.075 33.147 47.730 1.00 36.06 O ATOM 567 CB ALA A 65 43.219 36.013 46.333 1.00 36.32 C ATOM 568 H ALA A 65 40.822 35.903 47.124 1.00 0.00 H ATOM 569 N MET A 66 43.275 34.689 49.082 1.00 38.70 N ATOM 570 CA MET A 66 43.951 34.147 50.264 1.00 39.28 C ATOM 571 C MET A 66 43.428 32.830 50.774 1.00 37.72 C ATOM 572 O MET A 66 44.224 31.977 51.120 1.00 37.26 O ATOM 573 CB MET A 66 43.859 35.138 51.377 1.00 41.46 C ATOM 574 CG MET A 66 43.987 36.568 50.860 1.00 48.58 C ATOM 575 SD MET A 66 44.746 37.610 52.094 1.00 59.10 S ATOM 576 CE MET A 66 46.220 36.578 52.119 1.00 56.55 C ATOM 577 H MET A 66 42.681 35.537 49.181 1.00 0.00 H ATOM 578 N ALA A 67 42.113 32.627 50.785 1.00 36.84 N ATOM 579 CA ALA A 67 41.584 31.312 51.084 1.00 35.91 C ATOM 580 C ALA A 67 42.115 30.287 50.099 1.00 35.51 C ATOM 581 O ALA A 67 42.371 29.141 50.482 1.00 34.77 O ATOM 582 CB ALA A 67 40.108 31.303 51.055 1.00 35.96 C ATOM 583 H ALA A 67 41.464 33.413 50.579 1.00 0.00 H ATOM 584 N THR A 68 42.275 30.685 48.828 1.00 34.76 N ATOM 585 CA THR A 68 42.707 29.751 47.806 1.00 33.43 C ATOM 586 C THR A 68 44.129 29.311 48.097 1.00 32.76 C ATOM 587 O THR A 68 44.443 28.152 47.983 1.00 31.01 O ATOM 588 CB THR A 68 42.607 30.381 46.410 1.00 34.18 C ATOM 589 OG1 THR A 68 41.232 30.643 46.152 1.00 35.05 O ATOM 590 CG2 THR A 68 43.160 29.400 45.331 1.00 31.38 C ATOM 591 HG1 THR A 68 40.882 31.265 46.837 1.00 0.00 H ATOM 592 H THR A 68 42.087 31.675 48.572 1.00 0.00 H ATOM 593 N LEU A 69 44.976 30.246 48.501 1.00 31.73 N ATOM 594 CA LEU A 69 46.350 29.921 48.831 1.00 32.55 C ATOM 595 C LEU A 69 46.465 28.977 50.057 1.00 33.34 C ATOM 596 O LEU A 69 47.288 28.033 50.074 1.00 33.95 O ATOM 597 CB LEU A 69 47.128 31.210 49.073 1.00 33.59 C ATOM 598 CG LEU A 69 47.418 32.127 47.858 1.00 32.96 C ATOM 599 CD1 LEU A 69 48.179 33.349 48.371 1.00 34.74 C ATOM 600 CD2 LEU A 69 48.231 31.421 46.786 1.00 32.83 C ATOM 601 H LEU A 69 44.650 31.230 48.583 1.00 0.00 H ATOM 602 N PHE A 70 45.638 29.199 51.077 1.00 33.59 N ATOM 603 CA PHE A 70 45.611 28.275 52.214 1.00 33.10 C ATOM 604 C PHE A 70 45.072 26.922 51.817 1.00 34.16 C ATOM 605 O PHE A 70 45.588 25.883 52.264 1.00 33.12 O ATOM 606 CB PHE A 70 44.812 28.850 53.341 1.00 33.35 C ATOM 607 CG PHE A 70 45.448 30.057 53.971 1.00 31.69 C ATOM 608 CD1 PHE A 70 46.749 30.014 54.381 1.00 33.38 C ATOM 609 CD2 PHE A 70 44.722 31.190 54.205 1.00 34.87 C ATOM 610 CE1 PHE A 70 47.338 31.063 54.990 1.00 36.50 C ATOM 611 CE2 PHE A 70 45.309 32.281 54.810 1.00 36.67 C ATOM 612 CZ PHE A 70 46.612 32.209 55.220 1.00 38.35 C ATOM 613 H PHE A 70 45.011 30.029 51.067 1.00 0.00 H ATOM 614 N ALA A 71 44.070 26.925 50.946 1.00 34.81 N ATOM 615 CA ALA A 71 43.586 25.662 50.351 1.00 36.28 C ATOM 616 C ALA A 71 44.685 24.914 49.530 1.00 36.96 C ATOM 617 O ALA A 71 44.777 23.697 49.580 1.00 38.58 O ATOM 618 CB ALA A 71 42.326 25.950 49.492 1.00 35.47 C ATOM 619 H ALA A 71 43.621 27.825 50.680 1.00 0.00 H ATOM 620 N LEU A 72 45.566 25.625 48.832 1.00 37.86 N ATOM 621 CA LEU A 72 46.620 24.945 48.039 1.00 39.09 C ATOM 622 C LEU A 72 47.717 24.341 48.898 1.00 39.50 C ATOM 623 O LEU A 72 48.298 23.298 48.579 1.00 40.75 O ATOM 624 CB LEU A 72 47.230 25.877 46.985 1.00 39.51 C ATOM 625 CG LEU A 72 46.232 26.264 45.882 1.00 40.42 C ATOM 626 CD1 LEU A 72 46.812 27.372 44.994 1.00 40.18 C ATOM 627 CD2 LEU A 72 45.837 25.057 45.048 1.00 37.39 C ATOM 628 H LEU A 72 45.516 26.664 48.842 1.00 0.00 H ATOM 629 N ASP A 73 48.009 25.021 49.984 1.00 39.71 N ATOM 630 CA ASP A 73 48.869 24.478 51.029 1.00 39.66 C ATOM 631 C ASP A 73 48.345 23.151 51.489 1.00 39.46 C ATOM 632 O ASP A 73 49.062 22.143 51.430 1.00 39.84 O ATOM 633 CB ASP A 73 48.944 25.486 52.195 1.00 39.41 C ATOM 634 CG ASP A 73 49.557 24.910 53.444 1.00 40.40 C ATOM 635 OD1 ASP A 73 50.413 23.993 53.362 1.00 43.40 O ATOM 636 OD2 ASP A 73 49.181 25.406 54.513 1.00 37.17 O ATOM 637 H ASP A 73 47.614 25.976 50.102 1.00 0.00 H ATOM 638 N ARG A 74 47.095 23.126 51.952 1.00 39.25 N ATOM 639 CA ARG A 74 46.486 21.859 52.351 1.00 40.05 C ATOM 640 C ARG A 74 46.452 20.836 51.240 1.00 40.96 C ATOM 641 O ARG A 74 46.689 19.668 51.488 1.00 42.01 O ATOM 642 CB ARG A 74 45.076 22.079 52.905 1.00 40.23 C ATOM 643 CG ARG A 74 45.141 22.476 54.343 1.00 42.21 C ATOM 644 CD ARG A 74 43.802 22.525 54.998 1.00 45.62 C ATOM 645 NE ARG A 74 43.075 23.688 54.528 1.00 47.17 N ATOM 646 CZ ARG A 74 43.174 24.901 55.050 1.00 48.14 C ATOM 647 NH1 ARG A 74 43.935 25.136 56.120 1.00 47.72 N ATOM 648 NH2 ARG A 74 42.443 25.883 54.521 1.00 50.03 N ATOM 649 HE ARG A 74 42.429 23.560 53.723 1.00 0.00 H ATOM 650 HH12 ARG A 74 43.998 26.097 56.513 1.00 0.00 H ATOM 651 HH11 ARG A 74 44.466 24.358 56.562 1.00 0.00 H ATOM 652 HH22 ARG A 74 42.503 26.845 54.913 1.00 0.00 H ATOM 653 HH21 ARG A 74 41.813 25.687 53.717 1.00 0.00 H ATOM 654 H ARG A 74 46.552 24.010 52.029 1.00 0.00 H ATOM 655 N ALA A 75 46.168 21.253 50.011 1.00 42.05 N ATOM 656 CA ALA A 75 46.183 20.308 48.867 1.00 43.85 C ATOM 657 C ALA A 75 47.544 19.650 48.700 1.00 45.49 C ATOM 658 O ALA A 75 47.632 18.467 48.310 1.00 47.57 O ATOM 659 CB ALA A 75 45.727 21.009 47.522 1.00 43.99 C ATOM 660 H ALA A 75 45.933 22.253 49.849 1.00 0.00 H ATOM 661 N GLY A 76 48.614 20.396 48.992 1.00 45.72 N ATOM 662 CA GLY A 76 49.976 19.853 48.925 1.00 46.26 C ATOM 663 C GLY A 76 50.295 18.875 50.055 1.00 47.07 C ATOM 664 O GLY A 76 51.348 18.214 50.030 1.00 48.70 O ATOM 665 H GLY A 76 48.478 21.388 49.274 1.00 0.00 H ATOM 666 N ALA A 77 49.396 18.764 51.037 1.00 46.06 N ATOM 667 CA ALA A 77 49.565 17.871 52.169 1.00 46.62 C ATOM 668 C ALA A 77 48.641 16.665 52.110 1.00 47.83 C ATOM 669 O ALA A 77 48.644 15.862 53.039 1.00 49.69 O ATOM 670 CB ALA A 77 49.335 18.636 53.460 1.00 44.54 C ATOM 671 H ALA A 77 48.535 19.345 50.988 1.00 0.00 H ATOM 672 N VAL A 78 47.819 16.518 51.071 1.00 49.01 N ATOM 673 CA VAL A 78 46.902 15.378 51.034 1.00 50.36 C ATOM 674 C VAL A 78 47.648 14.039 51.232 1.00 53.08 C ATOM 675 O VAL A 78 47.205 13.175 52.023 1.00 52.36 O ATOM 676 CB VAL A 78 46.116 15.312 49.747 1.00 51.18 C ATOM 677 CG1 VAL A 78 45.510 13.872 49.563 1.00 52.13 C ATOM 678 CG2 VAL A 78 45.030 16.346 49.759 1.00 49.67 C ATOM 679 H VAL A 78 47.829 17.208 50.293 1.00 0.00 H ATOM 680 N HIS A 79 48.766 13.890 50.517 1.00 54.80 N ATOM 681 CA HIS A 79 49.606 12.690 50.578 1.00 57.37 C ATOM 682 C HIS A 79 50.238 12.501 51.956 1.00 56.99 C ATOM 683 O HIS A 79 50.223 11.395 52.503 1.00 57.77 O ATOM 684 CB HIS A 79 50.719 12.772 49.527 1.00 59.05 C ATOM 685 CG HIS A 79 51.668 13.902 49.766 1.00 61.09 C ATOM 686 ND1 HIS A 79 53.037 13.773 49.637 1.00 65.16 N ATOM 687 CD2 HIS A 79 51.441 15.181 50.161 1.00 60.40 C ATOM 688 CE1 HIS A 79 53.609 14.933 49.923 1.00 65.35 C ATOM 689 NE2 HIS A 79 52.663 15.797 50.265 1.00 62.56 N ATOM 690 H HIS A 79 49.055 14.664 49.885 1.00 0.00 H ATOM 691 N THR A 80 50.782 13.580 52.518 1.00 55.96 N ATOM 692 CA THR A 80 51.389 13.539 53.849 1.00 55.37 C ATOM 693 C THR A 80 50.342 13.108 54.896 1.00 53.62 C ATOM 694 O THR A 80 50.632 12.311 55.771 1.00 53.27 O ATOM 695 CB THR A 80 51.911 14.912 54.248 1.00 54.87 C ATOM 696 OG1 THR A 80 52.836 15.368 53.257 1.00 56.78 O ATOM 697 CG2 THR A 80 52.565 14.864 55.634 1.00 55.20 C ATOM 698 HG1 THR A 80 52.377 15.427 52.382 1.00 0.00 H ATOM 699 H THR A 80 50.775 14.479 51.995 1.00 0.00 H ATOM 700 N ILE A 81 49.126 13.631 54.783 1.00 51.50 N ATOM 701 CA ILE A 81 48.070 13.301 55.731 1.00 50.14 C ATOM 702 C ILE A 81 47.698 11.836 55.623 1.00 52.03 C ATOM 703 O ILE A 81 47.473 11.170 56.634 1.00 51.85 O ATOM 704 CB ILE A 81 46.824 14.185 55.523 1.00 49.06 C ATOM 705 CG1 ILE A 81 47.136 15.639 55.931 1.00 46.80 C ATOM 706 CG2 ILE A 81 45.644 13.667 56.322 1.00 46.08 C ATOM 707 CD1 ILE A 81 46.016 16.595 55.624 1.00 46.40 C ATOM 708 H ILE A 81 48.924 14.289 54.003 1.00 0.00 H ATOM 709 N GLN A 82 47.652 11.312 54.404 1.00 53.70 N ATOM 710 CA GLN A 82 47.280 9.912 54.215 1.00 55.27 C ATOM 711 C GLN A 82 48.365 8.997 54.788 1.00 55.39 C ATOM 712 O GLN A 82 48.077 7.996 55.451 1.00 54.85 O ATOM 713 CB GLN A 82 47.024 9.624 52.738 1.00 57.57 C ATOM 714 CG GLN A 82 45.715 10.281 52.152 1.00 60.14 C ATOM 715 CD GLN A 82 45.677 10.296 50.600 1.00 65.27 C ATOM 716 OE1 GLN A 82 46.672 9.961 49.917 1.00 69.09 O ATOM 717 NE2 GLN A 82 44.525 10.694 50.044 1.00 66.16 N ATOM 718 HE22 GLN A 82 43.722 10.964 50.648 1.00 0.00 H ATOM 719 HE21 GLN A 82 44.433 10.733 49.009 1.00 0.00 H ATOM 720 H GLN A 82 47.882 11.902 53.579 1.00 0.00 H ATOM 721 N GLY A 83 49.614 9.373 54.566 1.00 55.05 N ATOM 722 CA GLY A 83 50.741 8.665 55.152 1.00 55.92 C ATOM 723 C GLY A 83 50.736 8.656 56.663 1.00 55.38 C ATOM 724 O GLY A 83 51.076 7.663 57.284 1.00 56.94 O ATOM 725 H GLY A 83 49.794 10.196 53.957 1.00 0.00 H ATOM 726 N LEU A 84 50.354 9.770 57.267 1.00 53.96 N ATOM 727 CA LEU A 84 50.284 9.865 58.720 1.00 52.85 C ATOM 728 C LEU A 84 49.200 8.939 59.275 1.00 53.67 C ATOM 729 O LEU A 84 49.402 8.313 60.305 1.00 53.62 O ATOM 730 CB LEU A 84 50.052 11.324 59.155 1.00 50.82 C ATOM 731 CG LEU A 84 51.244 12.263 58.981 1.00 48.42 C ATOM 732 CD1 LEU A 84 50.876 13.616 59.444 1.00 44.52 C ATOM 733 CD2 LEU A 84 52.433 11.766 59.735 1.00 46.11 C ATOM 734 H LEU A 84 50.098 10.597 56.691 1.00 0.00 H ATOM 735 N CYS A 85 48.064 8.857 58.582 1.00 54.76 N ATOM 736 CA CYS A 85 46.951 7.972 58.965 1.00 56.72 C ATOM 737 C CYS A 85 47.289 6.491 58.861 1.00 58.53 C ATOM 738 O CYS A 85 46.867 5.707 59.695 1.00 59.68 O ATOM 739 CB CYS A 85 45.697 8.258 58.140 1.00 56.42 C ATOM 740 SG CYS A 85 44.824 9.804 58.648 1.00 59.21 S ATOM 741 H CYS A 85 47.959 9.446 57.731 1.00 0.00 H ATOM 742 N ARG A 86 48.038 6.118 57.838 1.00 60.26 N ATOM 743 CA ARG A 86 48.603 4.778 57.755 1.00 62.49 C ATOM 744 C ARG A 86 49.606 4.572 58.871 1.00 61.93 C ATOM 745 O ARG A 86 49.512 3.603 59.568 1.00 63.34 O ATOM 746 CB ARG A 86 49.276 4.534 56.400 1.00 64.42 C ATOM 747 CG ARG A 86 48.284 4.469 55.234 1.00 67.65 C ATOM 748 CD ARG A 86 48.949 3.839 53.991 1.00 74.12 C ATOM 749 NE ARG A 86 50.053 4.674 53.505 1.00 76.10 N ATOM 750 CZ ARG A 86 49.907 5.750 52.722 1.00 76.96 C ATOM 751 NH1 ARG A 86 48.689 6.141 52.298 1.00 75.68 N ATOM 752 NH2 ARG A 86 50.988 6.451 52.353 1.00 76.81 N ATOM 753 HE ARG A 86 51.018 4.411 53.789 1.00 0.00 H ATOM 754 HH12 ARG A 86 48.594 6.980 51.690 1.00 0.00 H ATOM 755 HH11 ARG A 86 47.844 5.604 52.579 1.00 0.00 H ATOM 756 HH22 ARG A 86 50.882 7.288 51.745 1.00 0.00 H ATOM 757 HH21 ARG A 86 51.933 6.158 52.675 1.00 0.00 H ATOM 758 H ARG A 86 48.229 6.797 57.074 1.00 0.00 H ATOM 759 N GLY A 87 50.545 5.494 59.069 1.00 60.66 N ATOM 760 CA GLY A 87 51.625 5.277 60.048 1.00 60.72 C ATOM 761 C GLY A 87 51.271 5.394 61.542 1.00 59.17 C ATOM 762 O GLY A 87 52.056 4.942 62.397 1.00 60.22 O ATOM 763 H GLY A 87 50.516 6.380 58.525 1.00 0.00 H ATOM 764 N TYR A 88 50.118 6.006 61.856 1.00 55.83 N ATOM 765 CA TYR A 88 49.757 6.368 63.232 1.00 53.22 C ATOM 766 C TYR A 88 48.307 6.058 63.558 1.00 51.96 C ATOM 767 O TYR A 88 47.435 5.968 62.688 1.00 51.91 O ATOM 768 CB TYR A 88 50.016 7.855 63.499 1.00 51.85 C ATOM 769 CG TYR A 88 51.469 8.283 63.387 1.00 52.29 C ATOM 770 CD1 TYR A 88 52.044 8.623 62.167 1.00 52.46 C ATOM 771 CD2 TYR A 88 52.263 8.340 64.508 1.00 54.95 C ATOM 772 CE1 TYR A 88 53.400 9.021 62.090 1.00 55.17 C ATOM 773 CE2 TYR A 88 53.602 8.725 64.449 1.00 56.34 C ATOM 774 CZ TYR A 88 54.164 9.060 63.250 1.00 56.77 C ATOM 775 OH TYR A 88 55.482 9.427 63.281 1.00 55.80 O ATOM 776 HH TYR A 88 55.784 9.647 62.364 1.00 0.00 H ATOM 777 H TYR A 88 49.451 6.234 61.091 1.00 0.00 H ATOM 778 N ASP A 89 48.049 5.907 64.842 1.00 50.89 N ATOM 779 CA ASP A 89 46.724 5.567 65.282 1.00 50.61 C ATOM 780 C ASP A 89 45.889 6.828 65.239 1.00 48.03 C ATOM 781 O ASP A 89 44.752 6.778 64.784 1.00 48.02 O ATOM 782 CB ASP A 89 46.732 4.938 66.685 1.00 51.29 C ATOM 783 CG ASP A 89 47.602 3.666 66.771 1.00 55.84 C ATOM 784 OD1 ASP A 89 47.710 2.910 65.770 1.00 61.79 O ATOM 785 OD2 ASP A 89 48.204 3.419 67.845 1.00 59.17 O ATOM 786 H ASP A 89 48.809 6.035 65.541 1.00 0.00 H ATOM 787 N VAL A 90 46.458 7.956 65.690 1.00 45.87 N ATOM 788 CA VAL A 90 45.723 9.237 65.778 1.00 43.38 C ATOM 789 C VAL A 90 46.497 10.341 65.089 1.00 42.22 C ATOM 790 O VAL A 90 47.678 10.551 65.343 1.00 42.91 O ATOM 791 CB VAL A 90 45.446 9.659 67.250 1.00 43.01 C ATOM 792 CG1 VAL A 90 44.435 10.809 67.310 1.00 40.99 C ATOM 793 CG2 VAL A 90 44.916 8.471 68.006 1.00 43.42 C ATOM 794 H VAL A 90 47.454 7.929 65.989 1.00 0.00 H ATOM 795 N VAL A 91 45.830 11.049 64.198 1.00 41.38 N ATOM 796 CA VAL A 91 46.403 12.242 63.559 1.00 40.02 C ATOM 797 C VAL A 91 45.592 13.458 63.993 1.00 39.16 C ATOM 798 O VAL A 91 44.343 13.532 63.764 1.00 38.67 O ATOM 799 CB VAL A 91 46.468 12.101 62.000 1.00 40.23 C ATOM 800 CG1 VAL A 91 47.165 13.347 61.350 1.00 38.63 C ATOM 801 CG2 VAL A 91 47.190 10.805 61.623 1.00 38.11 C ATOM 802 H VAL A 91 44.867 10.753 63.939 1.00 0.00 H ATOM 803 N ILE A 92 46.275 14.374 64.672 1.00 38.16 N ATOM 804 CA ILE A 92 45.644 15.603 65.155 1.00 37.86 C ATOM 805 C ILE A 92 46.120 16.805 64.332 1.00 38.95 C ATOM 806 O ILE A 92 47.329 17.071 64.235 1.00 38.61 O ATOM 807 CB ILE A 92 45.957 15.901 66.650 1.00 37.63 C ATOM 808 CG1 ILE A 92 45.624 14.688 67.533 1.00 35.88 C ATOM 809 CG2 ILE A 92 45.152 17.147 67.134 1.00 37.45 C ATOM 810 CD1 ILE A 92 46.014 14.859 69.000 1.00 31.98 C ATOM 811 H ILE A 92 47.284 14.213 64.865 1.00 0.00 H ATOM 812 N LEU A 93 45.166 17.527 63.754 1.00 38.88 N ATOM 813 CA LEU A 93 45.460 18.688 62.950 1.00 39.43 C ATOM 814 C LEU A 93 45.081 19.917 63.726 1.00 40.42 C ATOM 815 O LEU A 93 43.932 20.028 64.191 1.00 43.70 O ATOM 816 CB LEU A 93 44.686 18.648 61.657 1.00 39.08 C ATOM 817 CG LEU A 93 44.896 17.414 60.802 1.00 39.94 C ATOM 818 CD1 LEU A 93 43.943 17.427 59.617 1.00 39.58 C ATOM 819 CD2 LEU A 93 46.352 17.247 60.385 1.00 40.17 C ATOM 820 H LEU A 93 44.174 17.245 63.886 1.00 0.00 H ATOM 821 N ASP A 94 46.042 20.808 63.922 1.00 40.13 N ATOM 822 CA ASP A 94 45.815 22.101 64.541 1.00 40.65 C ATOM 823 C ASP A 94 45.370 23.079 63.417 1.00 39.79 C ATOM 824 O ASP A 94 46.187 23.542 62.621 1.00 38.21 O ATOM 825 CB ASP A 94 47.104 22.530 65.211 1.00 42.12 C ATOM 826 CG ASP A 94 46.980 23.841 66.001 1.00 46.72 C ATOM 827 OD1 ASP A 94 45.938 24.535 65.907 1.00 51.90 O ATOM 828 OD2 ASP A 94 47.970 24.184 66.698 1.00 50.44 O ATOM 829 H ASP A 94 47.007 20.569 63.617 1.00 0.00 H ATOM 830 N ARG A 95 44.056 23.302 63.342 1.00 38.62 N ATOM 831 CA ARG A 95 43.368 24.005 62.271 1.00 39.04 C ATOM 832 C ARG A 95 43.391 23.235 60.990 1.00 38.08 C ATOM 833 O ARG A 95 44.373 22.611 60.668 1.00 39.21 O ATOM 834 CB ARG A 95 43.894 25.398 62.000 1.00 39.31 C ATOM 835 CG ARG A 95 43.662 26.325 63.153 1.00 44.28 C ATOM 836 CD ARG A 95 43.824 27.820 62.781 1.00 46.71 C ATOM 837 NE ARG A 95 45.203 28.083 62.382 1.00 47.52 N ATOM 838 CZ ARG A 95 45.744 29.295 62.319 1.00 50.21 C ATOM 839 NH1 ARG A 95 45.045 30.378 62.650 1.00 51.96 N ATOM 840 NH2 ARG A 95 47.008 29.421 61.943 1.00 50.45 N ATOM 841 HE ARG A 95 45.801 27.270 62.131 1.00 0.00 H ATOM 842 HH12 ARG A 95 45.486 31.318 62.594 1.00 0.00 H ATOM 843 HH11 ARG A 95 44.058 30.284 62.964 1.00 0.00 H ATOM 844 HH22 ARG A 95 47.443 30.364 61.890 1.00 0.00 H ATOM 845 HH21 ARG A 95 47.565 28.577 61.701 1.00 0.00 H ATOM 846 H ARG A 95 43.470 22.940 64.121 1.00 0.00 H ATOM 847 N TYR A 96 42.285 23.304 60.271 1.00 37.53 N ATOM 848 CA TYR A 96 42.082 22.544 59.075 1.00 37.21 C ATOM 849 C TYR A 96 41.070 23.295 58.210 1.00 37.40 C ATOM 850 O TYR A 96 40.959 24.528 58.315 1.00 39.26 O ATOM 851 CB TYR A 96 41.614 21.142 59.462 1.00 36.97 C ATOM 852 CG TYR A 96 41.729 20.108 58.374 1.00 37.34 C ATOM 853 CD1 TYR A 96 42.860 20.030 57.563 1.00 37.60 C ATOM 854 CD2 TYR A 96 40.715 19.177 58.162 1.00 36.60 C ATOM 855 CE1 TYR A 96 42.964 19.071 56.556 1.00 38.52 C ATOM 856 CE2 TYR A 96 40.836 18.207 57.180 1.00 38.20 C ATOM 857 CZ TYR A 96 41.939 18.166 56.377 1.00 36.41 C ATOM 858 OH TYR A 96 42.031 17.222 55.393 1.00 37.90 O ATOM 859 HH TYR A 96 41.995 16.320 55.799 1.00 0.00 H ATOM 860 H TYR A 96 41.526 23.940 60.589 1.00 0.00 H ATOM 861 N VAL A 97 40.324 22.600 57.378 1.00 36.46 N ATOM 862 CA VAL A 97 39.493 23.269 56.395 1.00 36.24 C ATOM 863 C VAL A 97 38.441 24.219 57.006 1.00 38.27 C ATOM 864 O VAL A 97 38.185 25.285 56.449 1.00 39.28 O ATOM 865 CB VAL A 97 38.760 22.229 55.492 1.00 37.05 C ATOM 866 CG1 VAL A 97 37.852 22.937 54.572 1.00 34.74 C ATOM 867 CG2 VAL A 97 39.778 21.341 54.722 1.00 32.42 C ATOM 868 H VAL A 97 40.330 21.561 57.426 1.00 0.00 H ATOM 869 N ALA A 98 37.841 23.856 58.145 1.00 38.59 N ATOM 870 CA ALA A 98 36.783 24.694 58.754 1.00 39.05 C ATOM 871 C ALA A 98 37.286 26.073 59.062 1.00 39.27 C ATOM 872 O ALA A 98 36.517 27.022 59.038 1.00 39.83 O ATOM 873 CB ALA A 98 36.248 24.062 60.021 1.00 38.63 C ATOM 874 H ALA A 98 38.122 22.970 58.611 1.00 0.00 H ATOM 875 N SER A 99 38.583 26.167 59.350 1.00 38.81 N ATOM 876 CA SER A 99 39.233 27.429 59.646 1.00 39.55 C ATOM 877 C SER A 99 39.134 28.398 58.477 1.00 39.41 C ATOM 878 O SER A 99 38.883 29.591 58.661 1.00 40.31 O ATOM 879 CB SER A 99 40.698 27.176 59.935 1.00 39.42 C ATOM 880 OG SER A 99 41.070 27.723 61.188 1.00 41.55 O ATOM 881 HG SER A 99 40.528 27.305 61.903 1.00 0.00 H ATOM 882 H SER A 99 39.154 25.298 59.363 1.00 0.00 H ATOM 883 N ASN A 100 39.333 27.864 57.279 1.00 38.43 N ATOM 884 CA ASN A 100 39.311 28.641 56.066 1.00 38.38 C ATOM 885 C ASN A 100 37.888 29.140 55.852 1.00 39.66 C ATOM 886 O ASN A 100 37.709 30.248 55.444 1.00 40.01 O ATOM 887 CB ASN A 100 39.759 27.794 54.881 1.00 37.96 C ATOM 888 CG ASN A 100 40.450 28.582 53.828 1.00 38.22 C ATOM 889 OD1 ASN A 100 40.898 29.690 54.088 1.00 43.17 O ATOM 890 ND2 ASN A 100 40.566 28.026 52.626 1.00 36.00 N ATOM 891 HD22 ASN A 100 40.169 27.081 52.450 1.00 0.00 H ATOM 892 HD21 ASN A 100 41.053 28.536 51.862 1.00 0.00 H ATOM 893 H ASN A 100 39.512 26.842 57.213 1.00 0.00 H ATOM 894 N ALA A 101 36.884 28.308 56.133 1.00 39.93 N ATOM 895 CA ALA A 101 35.486 28.722 56.055 1.00 41.27 C ATOM 896 C ALA A 101 35.161 29.821 57.049 1.00 42.09 C ATOM 897 O ALA A 101 34.532 30.820 56.693 1.00 44.90 O ATOM 898 CB ALA A 101 34.542 27.507 56.255 1.00 41.31 C ATOM 899 H ALA A 101 37.104 27.332 56.417 1.00 0.00 H ATOM 900 N ALA A 102 35.598 29.665 58.284 1.00 41.14 N ATOM 901 CA ALA A 102 35.199 30.570 59.360 1.00 41.74 C ATOM 902 C ALA A 102 35.843 31.934 59.208 1.00 42.06 C ATOM 903 O ALA A 102 35.187 32.947 59.342 1.00 42.89 O ATOM 904 CB ALA A 102 35.555 29.943 60.732 1.00 41.06 C ATOM 905 H ALA A 102 36.243 28.878 58.497 1.00 0.00 H ATOM 906 N TYR A 103 37.146 31.960 58.957 1.00 41.64 N ATOM 907 CA TYR A 103 37.863 33.226 58.822 1.00 42.73 C ATOM 908 C TYR A 103 37.450 33.959 57.561 1.00 42.85 C ATOM 909 O TYR A 103 37.294 35.173 57.581 1.00 43.54 O ATOM 910 CB TYR A 103 39.387 33.036 58.839 1.00 42.33 C ATOM 911 CG TYR A 103 39.974 32.914 60.241 1.00 45.32 C ATOM 912 CD1 TYR A 103 40.275 34.048 60.967 1.00 47.45 C ATOM 913 CD2 TYR A 103 40.256 31.662 60.821 1.00 46.69 C ATOM 914 CE1 TYR A 103 40.807 33.965 62.216 1.00 49.61 C ATOM 915 CE2 TYR A 103 40.790 31.568 62.085 1.00 48.52 C ATOM 916 CZ TYR A 103 41.061 32.729 62.790 1.00 51.68 C ATOM 917 OH TYR A 103 41.595 32.684 64.085 1.00 54.55 O ATOM 918 HH TYR A 103 42.469 32.219 64.064 1.00 0.00 H ATOM 919 H TYR A 103 37.665 31.065 58.855 1.00 0.00 H ATOM 920 N SER A 104 37.253 33.230 56.474 1.00 41.74 N ATOM 921 CA SER A 104 36.842 33.867 55.240 1.00 42.96 C ATOM 922 C SER A 104 35.437 34.474 55.339 1.00 44.86 C ATOM 923 O SER A 104 35.202 35.594 54.891 1.00 46.50 O ATOM 924 CB SER A 104 36.919 32.888 54.061 1.00 41.81 C ATOM 925 OG SER A 104 38.270 32.610 53.793 1.00 41.13 O ATOM 926 HG SER A 104 38.688 32.206 54.594 1.00 0.00 H ATOM 927 H SER A 104 37.393 32.200 56.506 1.00 0.00 H ATOM 928 N ALA A 105 34.508 33.713 55.908 1.00 45.88 N ATOM 929 CA ALA A 105 33.146 34.161 56.083 1.00 47.13 C ATOM 930 C ALA A 105 33.182 35.390 56.942 1.00 48.69 C ATOM 931 O ALA A 105 32.568 36.389 56.623 1.00 50.40 O ATOM 932 CB ALA A 105 32.346 33.109 56.730 1.00 47.10 C ATOM 933 H ALA A 105 34.771 32.763 56.239 1.00 0.00 H ATOM 934 N ALA A 106 33.941 35.334 58.026 1.00 49.16 N ATOM 935 CA ALA A 106 34.076 36.490 58.931 1.00 50.71 C ATOM 936 C ALA A 106 34.664 37.730 58.241 1.00 50.95 C ATOM 937 O ALA A 106 34.180 38.814 58.442 1.00 53.52 O ATOM 938 CB ALA A 106 34.894 36.105 60.205 1.00 49.67 C ATOM 939 H ALA A 106 34.453 34.455 58.244 1.00 0.00 H ATOM 940 N ARG A 107 35.666 37.574 57.389 1.00 50.37 N ATOM 941 CA ARG A 107 36.248 38.718 56.682 1.00 51.03 C ATOM 942 C ARG A 107 35.272 39.289 55.686 1.00 51.82 C ATOM 943 O ARG A 107 35.311 40.449 55.397 1.00 52.44 O ATOM 944 CB ARG A 107 37.501 38.311 55.923 1.00 49.93 C ATOM 945 CG ARG A 107 38.662 37.952 56.773 1.00 50.84 C ATOM 946 CD ARG A 107 39.800 38.896 56.576 1.00 54.95 C ATOM 947 NE ARG A 107 40.870 38.579 57.508 1.00 58.33 N ATOM 948 CZ ARG A 107 41.795 39.432 57.933 1.00 60.82 C ATOM 949 NH1 ARG A 107 41.822 40.678 57.505 1.00 62.46 N ATOM 950 NH2 ARG A 107 42.708 39.025 58.798 1.00 63.84 N ATOM 951 HE ARG A 107 40.915 37.606 57.871 1.00 0.00 H ATOM 952 HH12 ARG A 107 42.555 41.331 57.850 1.00 0.00 H ATOM 953 HH11 ARG A 107 41.111 41.009 56.822 1.00 0.00 H ATOM 954 HH22 ARG A 107 43.436 39.687 59.136 1.00 0.00 H ATOM 955 HH21 ARG A 107 42.698 38.043 59.141 1.00 0.00 H ATOM 956 H ARG A 107 36.047 36.621 57.219 1.00 0.00 H ATOM 957 N LEU A 108 34.409 38.446 55.140 1.00 52.22 N ATOM 958 CA LEU A 108 33.414 38.892 54.174 1.00 53.33 C ATOM 959 C LEU A 108 32.141 39.396 54.861 1.00 56.50 C ATOM 960 O LEU A 108 31.195 39.805 54.189 1.00 57.89 O ATOM 961 CB LEU A 108 33.100 37.763 53.172 1.00 51.81 C ATOM 962 CG LEU A 108 34.253 37.369 52.235 1.00 49.84 C ATOM 963 CD1 LEU A 108 34.111 35.954 51.571 1.00 46.07 C ATOM 964 CD2 LEU A 108 34.455 38.450 51.180 1.00 48.61 C ATOM 965 H LEU A 108 34.442 37.441 55.407 1.00 0.00 H ATOM 966 N HIS A 109 32.118 39.381 56.193 1.00 58.10 N ATOM 967 CA HIS A 109 30.883 39.644 56.954 1.00 61.75 C ATOM 968 C HIS A 109 29.713 38.747 56.562 1.00 62.46 C ATOM 969 O HIS A 109 28.560 39.184 56.527 1.00 65.50 O ATOM 970 CB HIS A 109 30.474 41.118 56.857 1.00 63.81 C ATOM 971 CG HIS A 109 31.370 42.016 57.628 1.00 65.65 C ATOM 972 ND1 HIS A 109 32.518 42.564 57.092 1.00 67.80 N ATOM 973 CD2 HIS A 109 31.311 42.436 58.912 1.00 69.50 C ATOM 974 CE1 HIS A 109 33.120 43.297 58.013 1.00 69.09 C ATOM 975 NE2 HIS A 109 32.410 43.231 59.127 1.00 70.28 N ATOM 976 H HIS A 109 32.997 39.178 56.711 1.00 0.00 H ATOM 977 N GLU A 110 30.024 37.494 56.285 1.00 61.00 N ATOM 978 CA GLU A 110 29.035 36.493 55.981 1.00 62.17 C ATOM 979 C GLU A 110 28.902 35.581 57.176 1.00 62.24 C ATOM 980 O GLU A 110 29.706 35.640 58.110 1.00 61.24 O ATOM 981 CB GLU A 110 29.448 35.676 54.756 1.00 60.78 C ATOM 982 CG GLU A 110 29.506 36.479 53.438 1.00 62.57 C ATOM 983 CD GLU A 110 29.899 35.615 52.220 1.00 62.88 C ATOM 984 OE1 GLU A 110 30.133 34.378 52.374 1.00 60.03 O ATOM 985 OE2 GLU A 110 29.972 36.195 51.109 1.00 65.16 O ATOM 986 H GLU A 110 31.027 37.218 56.287 1.00 0.00 H ATOM 987 N ASN A 111 27.859 34.760 57.153 1.00 63.83 N ATOM 988 CA ASN A 111 27.739 33.685 58.098 1.00 64.35 C ATOM 989 C ASN A 111 27.904 32.305 57.441 1.00 62.80 C ATOM 990 O ASN A 111 28.196 32.193 56.242 1.00 61.91 O ATOM 991 CB ASN A 111 26.450 33.821 58.906 1.00 67.94 C ATOM 992 CG ASN A 111 25.214 33.973 58.039 1.00 71.81 C ATOM 993 OD1 ASN A 111 24.983 33.207 57.083 1.00 74.56 O ATOM 994 ND2 ASN A 111 24.396 34.956 58.385 1.00 74.57 N ATOM 995 HD22 ASN A 111 24.632 35.569 59.191 1.00 0.00 H ATOM 996 HD21 ASN A 111 23.518 35.114 57.851 1.00 0.00 H ATOM 997 H ASN A 111 27.116 34.898 56.438 1.00 0.00 H ATOM 998 N ALA A 112 27.762 31.265 58.260 1.00 62.50 N ATOM 999 CA ALA A 112 28.049 29.874 57.883 1.00 60.98 C ATOM 1000 C ALA A 112 27.239 29.369 56.707 1.00 61.62 C ATOM 1001 O ALA A 112 27.623 28.394 56.077 1.00 60.01 O ATOM 1002 CB ALA A 112 27.818 28.950 59.079 1.00 61.06 C ATOM 1003 H ALA A 112 27.427 31.449 59.227 1.00 0.00 H ATOM 1004 N ALA A 113 26.104 30.015 56.440 1.00 63.58 N ATOM 1005 CA ALA A 113 25.160 29.535 55.449 1.00 64.17 C ATOM 1006 C ALA A 113 25.416 30.241 54.144 1.00 62.92 C ATOM 1007 O ALA A 113 24.728 29.982 53.157 1.00 64.40 O ATOM 1008 CB ALA A 113 23.706 29.778 55.936 1.00 67.61 C ATOM 1009 H ALA A 113 25.889 30.890 56.958 1.00 0.00 H ATOM 1010 N GLY A 114 26.408 31.130 54.138 1.00 60.36 N ATOM 1011 CA GLY A 114 26.710 31.960 52.964 1.00 59.43 C ATOM 1012 C GLY A 114 27.631 31.360 51.902 1.00 56.74 C ATOM 1013 O GLY A 114 28.030 30.185 51.981 1.00 55.18 O ATOM 1014 H GLY A 114 26.989 31.240 54.994 1.00 0.00 H ATOM 1015 N LYS A 115 27.984 32.200 50.924 1.00 55.66 N ATOM 1016 CA LYS A 115 28.680 31.768 49.702 1.00 53.84 C ATOM 1017 C LYS A 115 30.081 31.217 50.000 1.00 50.43 C ATOM 1018 O LYS A 115 30.428 30.103 49.583 1.00 49.22 O ATOM 1019 CB LYS A 115 28.745 32.914 48.655 1.00 54.68 C ATOM 1020 CG LYS A 115 27.481 33.067 47.766 1.00 57.75 C ATOM 1021 H LYS A 115 27.755 33.209 51.032 1.00 0.00 H ATOM 1022 N ALA A 116 30.861 31.981 50.754 1.00 48.33 N ATOM 1023 CA ALA A 116 32.241 31.616 51.054 1.00 45.78 C ATOM 1024 C ALA A 116 32.397 30.223 51.722 1.00 44.85 C ATOM 1025 O ALA A 116 33.193 29.407 51.265 1.00 45.26 O ATOM 1026 CB ALA A 116 32.915 32.715 51.878 1.00 44.31 C ATOM 1027 H ALA A 116 30.477 32.866 51.142 1.00 0.00 H ATOM 1028 N ALA A 117 31.683 29.964 52.803 1.00 45.33 N ATOM 1029 CA ALA A 117 31.726 28.655 53.454 1.00 44.72 C ATOM 1030 C ALA A 117 31.375 27.528 52.502 1.00 44.65 C ATOM 1031 O ALA A 117 32.023 26.510 52.505 1.00 44.63 O ATOM 1032 CB ALA A 117 30.787 28.618 54.675 1.00 44.71 C ATOM 1033 H ALA A 117 31.076 30.709 53.201 1.00 0.00 H ATOM 1034 N ALA A 118 30.335 27.709 51.705 1.00 46.14 N ATOM 1035 CA ALA A 118 29.897 26.692 50.748 1.00 46.95 C ATOM 1036 C ALA A 118 31.000 26.459 49.722 1.00 45.42 C ATOM 1037 O ALA A 118 31.277 25.321 49.328 1.00 45.97 O ATOM 1038 CB ALA A 118 28.595 27.118 50.038 1.00 46.99 C ATOM 1039 H ALA A 118 29.810 28.605 51.760 1.00 0.00 H ATOM 1040 N TRP A 119 31.618 27.544 49.281 1.00 45.10 N ATOM 1041 CA TRP A 119 32.727 27.464 48.318 1.00 43.88 C ATOM 1042 C TRP A 119 33.916 26.730 48.923 1.00 42.20 C ATOM 1043 O TRP A 119 34.530 25.909 48.250 1.00 41.99 O ATOM 1044 CB TRP A 119 33.079 28.857 47.814 1.00 43.22 C ATOM 1045 CG TRP A 119 34.281 28.904 46.986 1.00 44.01 C ATOM 1046 CD1 TRP A 119 34.376 28.622 45.671 1.00 44.94 C ATOM 1047 CD2 TRP A 119 35.593 29.258 47.419 1.00 41.74 C ATOM 1048 NE1 TRP A 119 35.666 28.788 45.250 1.00 42.82 N ATOM 1049 CE2 TRP A 119 36.433 29.174 46.306 1.00 41.42 C ATOM 1050 CE3 TRP A 119 36.133 29.647 48.645 1.00 42.51 C ATOM 1051 CZ2 TRP A 119 37.784 29.460 46.374 1.00 41.63 C ATOM 1052 CZ3 TRP A 119 37.463 29.927 48.719 1.00 41.69 C ATOM 1053 CH2 TRP A 119 38.282 29.825 47.589 1.00 41.73 C ATOM 1054 HE1 TRP A 119 36.007 28.643 44.278 1.00 0.00 H ATOM 1055 H TRP A 119 31.311 28.477 49.624 1.00 0.00 H ATOM 1056 N VAL A 120 34.219 26.966 50.203 1.00 41.95 N ATOM 1057 CA VAL A 120 35.395 26.325 50.821 1.00 41.08 C ATOM 1058 C VAL A 120 35.138 24.830 50.847 1.00 43.15 C ATOM 1059 O VAL A 120 36.014 24.039 50.555 1.00 42.46 O ATOM 1060 CB VAL A 120 35.712 26.885 52.257 1.00 40.37 C ATOM 1061 CG1 VAL A 120 36.706 25.999 52.995 1.00 39.59 C ATOM 1062 CG2 VAL A 120 36.281 28.269 52.166 1.00 38.97 C ATOM 1063 H VAL A 120 33.622 27.605 50.766 1.00 0.00 H ATOM 1064 N GLN A 121 33.902 24.454 51.180 1.00 46.26 N ATOM 1065 CA GLN A 121 33.527 23.057 51.256 1.00 48.84 C ATOM 1066 C GLN A 121 33.656 22.324 49.909 1.00 49.10 C ATOM 1067 O GLN A 121 34.102 21.200 49.894 1.00 48.51 O ATOM 1068 CB GLN A 121 32.094 22.890 51.805 1.00 51.42 C ATOM 1069 CG GLN A 121 31.922 21.633 52.649 1.00 55.65 C ATOM 1070 CD GLN A 121 30.477 21.281 52.988 1.00 61.93 C ATOM 1071 OE1 GLN A 121 29.782 20.700 52.181 1.00 67.32 O ATOM 1072 NE2 GLN A 121 30.052 21.582 54.205 1.00 65.12 N ATOM 1073 HE22 GLN A 121 30.680 22.081 54.867 1.00 0.00 H ATOM 1074 HE21 GLN A 121 29.090 21.319 54.500 1.00 0.00 H ATOM 1075 H GLN A 121 33.190 25.182 51.390 1.00 0.00 H ATOM 1076 N ARG A 122 33.254 22.953 48.810 1.00 49.99 N ATOM 1077 CA ARG A 122 33.391 22.349 47.471 1.00 52.12 C ATOM 1078 C ARG A 122 34.858 22.308 47.072 1.00 50.34 C ATOM 1079 O ARG A 122 35.350 21.326 46.575 1.00 50.78 O ATOM 1080 CB ARG A 122 32.720 23.197 46.377 1.00 53.67 C ATOM 1081 CG ARG A 122 31.215 23.247 46.336 1.00 58.99 C ATOM 1082 CD ARG A 122 30.758 23.900 44.997 1.00 65.36 C ATOM 1083 NE ARG A 122 31.001 25.354 44.926 1.00 67.01 N ATOM 1084 CZ ARG A 122 30.241 26.263 45.538 1.00 69.60 C ATOM 1085 NH1 ARG A 122 29.204 25.877 46.291 1.00 72.56 N ATOM 1086 NH2 ARG A 122 30.521 27.559 45.423 1.00 68.61 N ATOM 1087 HE ARG A 122 31.811 25.689 44.367 1.00 0.00 H ATOM 1088 HH12 ARG A 122 28.613 26.589 46.767 1.00 0.00 H ATOM 1089 HH11 ARG A 122 28.989 24.865 46.400 1.00 0.00 H ATOM 1090 HH22 ARG A 122 29.925 28.264 45.902 1.00 0.00 H ATOM 1091 HH21 ARG A 122 31.335 27.867 44.854 1.00 0.00 H ATOM 1092 H ARG A 122 32.830 23.899 48.896 1.00 0.00 H ATOM 1093 N ILE A 123 35.548 23.409 47.238 1.00 49.04 N ATOM 1094 CA ILE A 123 36.912 23.456 46.753 1.00 48.73 C ATOM 1095 C ILE A 123 37.858 22.514 47.521 1.00 46.98 C ATOM 1096 O ILE A 123 38.583 21.771 46.909 1.00 46.24 O ATOM 1097 CB ILE A 123 37.403 24.874 46.727 1.00 48.32 C ATOM 1098 CG1 ILE A 123 37.441 25.369 45.311 1.00 51.70 C ATOM 1099 CG2 ILE A 123 38.829 24.950 47.150 1.00 49.57 C ATOM 1100 CD1 ILE A 123 38.893 25.545 44.900 1.00 54.32 C ATOM 1101 H ILE A 123 35.124 24.234 47.709 1.00 0.00 H ATOM 1102 N GLU A 124 37.817 22.503 48.846 1.00 45.70 N ATOM 1103 CA GLU A 124 38.779 21.723 49.578 1.00 45.08 C ATOM 1104 C GLU A 124 38.372 20.263 49.646 1.00 46.03 C ATOM 1105 O GLU A 124 39.204 19.372 49.483 1.00 46.17 O ATOM 1106 CB GLU A 124 39.035 22.298 50.970 1.00 44.21 C ATOM 1107 CG GLU A 124 39.417 23.788 50.979 1.00 46.22 C ATOM 1108 CD GLU A 124 40.471 24.199 52.058 1.00 47.38 C ATOM 1109 OE1 GLU A 124 41.377 23.390 52.406 1.00 49.63 O ATOM 1110 OE2 GLU A 124 40.395 25.350 52.566 1.00 48.27 O ATOM 1111 H GLU A 124 37.095 23.054 49.352 1.00 0.00 H ATOM 1112 N PHE A 125 37.101 19.994 49.859 1.00 47.66 N ATOM 1113 CA PHE A 125 36.681 18.607 50.074 1.00 49.01 C ATOM 1114 C PHE A 125 36.345 17.892 48.774 1.00 51.65 C ATOM 1115 O PHE A 125 36.705 16.754 48.611 1.00 53.29 O ATOM 1116 CB PHE A 125 35.484 18.506 51.050 1.00 49.27 C ATOM 1117 CG PHE A 125 35.852 18.704 52.476 1.00 46.62 C ATOM 1118 CD1 PHE A 125 36.934 18.025 53.020 1.00 44.54 C ATOM 1119 CD2 PHE A 125 35.116 19.555 53.289 1.00 46.46 C ATOM 1120 CE1 PHE A 125 37.316 18.205 54.319 1.00 42.99 C ATOM 1121 CE2 PHE A 125 35.471 19.731 54.617 1.00 46.83 C ATOM 1122 CZ PHE A 125 36.605 19.046 55.132 1.00 45.81 C ATOM 1123 H PHE A 125 36.399 20.761 49.875 1.00 0.00 H ATOM 1124 N ALA A 126 35.624 18.518 47.861 1.00 53.39 N ATOM 1125 CA ALA A 126 35.216 17.799 46.645 1.00 56.25 C ATOM 1126 C ALA A 126 36.331 17.883 45.589 1.00 56.48 C ATOM 1127 O ALA A 126 36.829 16.850 45.103 1.00 58.88 O ATOM 1128 CB ALA A 126 33.877 18.326 46.088 1.00 57.09 C ATOM 1129 H ALA A 126 35.347 19.511 48.001 1.00 0.00 H ATOM 1130 N ARG A 127 36.737 19.094 45.247 1.00 54.28 N ATOM 1131 CA ARG A 127 37.747 19.266 44.221 1.00 54.13 C ATOM 1132 C ARG A 127 39.152 18.817 44.615 1.00 52.85 C ATOM 1133 O ARG A 127 39.744 17.977 43.945 1.00 54.64 O ATOM 1134 CB ARG A 127 37.835 20.718 43.810 1.00 53.49 C ATOM 1135 CG ARG A 127 38.706 20.898 42.621 1.00 54.42 C ATOM 1136 CD ARG A 127 38.435 22.220 41.999 1.00 54.86 C ATOM 1137 NE ARG A 127 39.052 22.310 40.694 1.00 52.95 N ATOM 1138 CZ ARG A 127 38.990 23.385 39.927 1.00 50.02 C ATOM 1139 NH1 ARG A 127 38.339 24.476 40.344 1.00 50.25 N ATOM 1140 NH2 ARG A 127 39.610 23.372 38.755 1.00 49.20 N ATOM 1141 HE ARG A 127 39.573 21.483 40.339 1.00 0.00 H ATOM 1142 HH12 ARG A 127 38.294 25.319 39.736 1.00 0.00 H ATOM 1143 HH11 ARG A 127 37.878 24.482 41.276 1.00 0.00 H ATOM 1144 HH22 ARG A 127 39.573 24.208 38.138 1.00 0.00 H ATOM 1145 HH21 ARG A 127 40.134 22.526 38.453 1.00 0.00 H ATOM 1146 H ARG A 127 36.330 19.928 45.717 1.00 0.00 H ATOM 1147 N LEU A 128 39.708 19.388 45.675 1.00 50.04 N ATOM 1148 CA LEU A 128 41.070 19.050 46.045 1.00 48.57 C ATOM 1149 C LEU A 128 41.178 17.712 46.774 1.00 49.30 C ATOM 1150 O LEU A 128 42.275 17.168 46.911 1.00 50.32 O ATOM 1151 CB LEU A 128 41.684 20.161 46.879 1.00 47.18 C ATOM 1152 CG LEU A 128 41.733 21.519 46.191 1.00 45.42 C ATOM 1153 CD1 LEU A 128 42.245 22.524 47.181 1.00 43.90 C ATOM 1154 CD2 LEU A 128 42.585 21.475 44.947 1.00 44.39 C ATOM 1155 H LEU A 128 39.170 20.076 46.239 1.00 0.00 H ATOM 1156 N GLY A 129 40.060 17.161 47.233 1.00 49.53 N ATOM 1157 CA GLY A 129 40.062 15.828 47.819 1.00 49.97 C ATOM 1158 C GLY A 129 40.733 15.711 49.180 1.00 48.91 C ATOM 1159 O GLY A 129 41.316 14.689 49.525 1.00 48.48 O ATOM 1160 H GLY A 129 39.167 17.691 47.173 1.00 0.00 H ATOM 1161 N LEU A 130 40.633 16.758 49.977 1.00 47.84 N ATOM 1162 CA LEU A 130 41.159 16.686 51.323 1.00 47.59 C ATOM 1163 C LEU A 130 40.334 15.702 52.171 1.00 47.60 C ATOM 1164 O LEU A 130 39.115 15.686 52.120 1.00 46.74 O ATOM 1165 CB LEU A 130 41.280 18.101 51.961 1.00 46.76 C ATOM 1166 CG LEU A 130 42.592 18.763 51.527 1.00 47.40 C ATOM 1167 CD1 LEU A 130 42.371 20.133 50.972 1.00 49.51 C ATOM 1168 CD2 LEU A 130 43.602 18.750 52.694 1.00 48.48 C ATOM 1169 H LEU A 130 40.178 17.630 49.639 1.00 0.00 H ATOM 1170 N PRO A 131 41.025 14.843 52.915 1.00 47.81 N ATOM 1171 CA PRO A 131 40.302 13.876 53.746 1.00 48.99 C ATOM 1172 C PRO A 131 39.433 14.564 54.779 1.00 48.32 C ATOM 1173 O PRO A 131 39.861 15.552 55.400 1.00 45.69 O ATOM 1174 CB PRO A 131 41.416 13.065 54.442 1.00 49.07 C ATOM 1175 CG PRO A 131 42.674 13.782 54.187 1.00 48.62 C ATOM 1176 CD PRO A 131 42.482 14.725 53.044 1.00 47.23 C ATOM 1177 N LYS A 132 38.224 14.040 54.906 1.00 50.10 N ATOM 1178 CA LYS A 132 37.249 14.509 55.874 1.00 51.59 C ATOM 1179 C LYS A 132 37.657 14.027 57.248 1.00 50.00 C ATOM 1180 O LYS A 132 37.944 12.834 57.413 1.00 50.38 O ATOM 1181 CB LYS A 132 35.856 13.953 55.559 1.00 54.14 C ATOM 1182 CG LYS A 132 35.210 14.557 54.270 1.00 59.68 C ATOM 1183 CD LYS A 132 33.792 15.149 54.538 1.00 64.27 C ATOM 1184 CE LYS A 132 33.299 16.139 53.446 1.00 67.40 C ATOM 1185 NZ LYS A 132 32.133 15.624 52.657 1.00 70.01 N ATOM 1186 HZ1 LYS A 132 32.402 14.740 52.179 1.00 0.00 H ATOM 1187 HZ2 LYS A 132 31.335 15.443 53.299 1.00 0.00 H ATOM 1188 HZ3 LYS A 132 31.856 16.332 51.948 1.00 0.00 H ATOM 1189 H LYS A 132 37.959 13.252 54.281 1.00 0.00 H ATOM 1190 N PRO A 133 37.681 14.938 58.234 1.00 47.98 N ATOM 1191 CA PRO A 133 38.064 14.552 59.568 1.00 47.42 C ATOM 1192 C PRO A 133 36.959 13.733 60.230 1.00 47.99 C ATOM 1193 O PRO A 133 35.782 13.945 59.961 1.00 48.75 O ATOM 1194 CB PRO A 133 38.297 15.877 60.274 1.00 46.66 C ATOM 1195 CG PRO A 133 37.623 16.870 59.493 1.00 47.20 C ATOM 1196 CD PRO A 133 37.450 16.376 58.123 1.00 47.72 C ATOM 1197 N ASP A 134 37.365 12.778 61.058 1.00 47.21 N ATOM 1198 CA ASP A 134 36.432 12.008 61.872 1.00 47.85 C ATOM 1199 C ASP A 134 35.767 12.863 62.925 1.00 46.91 C ATOM 1200 O ASP A 134 34.610 12.662 63.238 1.00 49.28 O ATOM 1201 CB ASP A 134 37.173 10.836 62.506 1.00 48.53 C ATOM 1202 CG ASP A 134 37.655 9.835 61.457 1.00 50.99 C ATOM 1203 OD1 ASP A 134 36.776 9.128 60.928 1.00 57.06 O ATOM 1204 OD2 ASP A 134 38.868 9.773 61.131 1.00 53.46 O ATOM 1205 H ASP A 134 38.382 12.572 61.128 1.00 0.00 H ATOM 1206 N TRP A 135 36.502 13.826 63.456 1.00 44.80 N ATOM 1207 CA TRP A 135 36.007 14.771 64.424 1.00 44.04 C ATOM 1208 C TRP A 135 36.604 16.139 64.169 1.00 42.62 C ATOM 1209 O TRP A 135 37.809 16.282 63.908 1.00 42.13 O ATOM 1210 CB TRP A 135 36.443 14.396 65.817 1.00 43.82 C ATOM 1211 CG TRP A 135 35.826 13.252 66.416 1.00 43.65 C ATOM 1212 CD1 TRP A 135 36.344 12.001 66.522 1.00 44.07 C ATOM 1213 CD2 TRP A 135 34.601 13.248 67.126 1.00 46.17 C ATOM 1214 NE1 TRP A 135 35.479 11.195 67.208 1.00 45.11 N ATOM 1215 CE2 TRP A 135 34.394 11.936 67.587 1.00 47.03 C ATOM 1216 CE3 TRP A 135 33.626 14.220 67.376 1.00 46.20 C ATOM 1217 CZ2 TRP A 135 33.270 11.577 68.324 1.00 49.28 C ATOM 1218 CZ3 TRP A 135 32.533 13.880 68.090 1.00 48.33 C ATOM 1219 CH2 TRP A 135 32.348 12.556 68.563 1.00 49.97 C ATOM 1220 HE1 TRP A 135 35.622 10.185 67.409 1.00 0.00 H ATOM 1221 H TRP A 135 37.495 13.906 63.157 1.00 0.00 H ATOM 1222 N GLN A 136 35.762 17.148 64.241 1.00 42.71 N ATOM 1223 CA GLN A 136 36.218 18.508 64.332 1.00 42.50 C ATOM 1224 C GLN A 136 35.900 18.992 65.766 1.00 43.17 C ATOM 1225 O GLN A 136 34.762 18.882 66.205 1.00 44.80 O ATOM 1226 CB GLN A 136 35.534 19.326 63.243 1.00 42.82 C ATOM 1227 CG GLN A 136 36.083 18.979 61.845 1.00 42.70 C ATOM 1228 CD GLN A 136 35.325 19.649 60.688 1.00 42.91 C ATOM 1229 OE1 GLN A 136 35.702 20.723 60.183 1.00 44.89 O ATOM 1230 NE2 GLN A 136 34.265 19.026 60.275 1.00 43.40 N ATOM 1231 HE22 GLN A 136 33.981 18.131 60.721 1.00 0.00 H ATOM 1232 HE21 GLN A 136 33.699 19.422 59.497 1.00 0.00 H ATOM 1233 H GLN A 136 34.740 16.956 64.232 1.00 0.00 H ATOM 1234 N VAL A 137 36.905 19.452 66.510 1.00 42.00 N ATOM 1235 CA VAL A 137 36.720 19.870 67.901 1.00 42.51 C ATOM 1236 C VAL A 137 36.853 21.397 67.992 1.00 43.12 C ATOM 1237 O VAL A 137 37.900 21.952 67.709 1.00 42.24 O ATOM 1238 CB VAL A 137 37.753 19.208 68.830 1.00 42.35 C ATOM 1239 CG1 VAL A 137 37.547 19.649 70.303 1.00 42.08 C ATOM 1240 CG2 VAL A 137 37.691 17.712 68.674 1.00 40.06 C ATOM 1241 H VAL A 137 37.853 19.516 66.088 1.00 0.00 H ATOM 1242 N LEU A 138 35.770 22.081 68.352 1.00 44.92 N ATOM 1243 CA LEU A 138 35.802 23.518 68.480 1.00 45.21 C ATOM 1244 C LEU A 138 36.108 23.917 69.909 1.00 47.36 C ATOM 1245 O LEU A 138 35.313 23.677 70.798 1.00 48.64 O ATOM 1246 CB LEU A 138 34.470 24.121 68.081 1.00 46.41 C ATOM 1247 CG LEU A 138 34.367 25.635 68.279 1.00 44.93 C ATOM 1248 CD1 LEU A 138 35.427 26.350 67.433 1.00 40.42 C ATOM 1249 CD2 LEU A 138 33.009 26.077 67.901 1.00 43.76 C ATOM 1250 H LEU A 138 34.884 21.571 68.545 1.00 0.00 H ATOM 1251 N LEU A 139 37.278 24.500 70.114 1.00 48.83 N ATOM 1252 CA LEU A 139 37.642 25.120 71.368 1.00 51.63 C ATOM 1253 C LEU A 139 37.020 26.508 71.444 1.00 55.02 C ATOM 1254 O LEU A 139 37.573 27.485 70.911 1.00 54.76 O ATOM 1255 CB LEU A 139 39.162 25.212 71.490 1.00 50.95 C ATOM 1256 CG LEU A 139 39.690 25.924 72.738 1.00 52.54 C ATOM 1257 CD1 LEU A 139 39.301 25.131 73.970 1.00 52.18 C ATOM 1258 CD2 LEU A 139 41.186 26.104 72.634 1.00 52.42 C ATOM 1259 H LEU A 139 37.968 24.513 69.336 1.00 0.00 H ATOM 1260 N ALA A 140 35.887 26.597 72.143 1.00 59.39 N ATOM 1261 CA ALA A 140 35.089 27.839 72.232 1.00 62.98 C ATOM 1262 C ALA A 140 35.720 28.902 73.145 1.00 66.08 C ATOM 1263 O ALA A 140 36.525 28.576 74.009 1.00 66.26 O ATOM 1264 CB ALA A 140 33.652 27.508 72.716 1.00 64.52 C ATOM 1265 H ALA A 140 35.549 25.753 72.649 1.00 0.00 H ATOM 1266 N VAL A 141 35.339 30.170 72.935 1.00 69.69 N ATOM 1267 CA VAL A 141 35.464 31.244 73.972 1.00 73.51 C ATOM 1268 C VAL A 141 35.245 30.658 75.383 1.00 74.97 C ATOM 1269 O VAL A 141 35.596 31.274 76.392 1.00 77.70 O ATOM 1270 CB VAL A 141 34.415 32.421 73.756 1.00 75.89 C ATOM 1271 CG1 VAL A 141 34.469 33.492 74.924 1.00 79.26 C ATOM 1272 CG2 VAL A 141 34.572 33.074 72.368 1.00 76.11 C ATOM 1273 H VAL A 141 34.938 30.420 72.009 1.00 0.00 H TER 1274 VAL A 141 ATOM 1275 N ALA A 169 39.794 41.092 66.652 1.00 75.69 N ATOM 1276 CA ALA A 169 38.955 40.943 67.887 1.00 77.81 C ATOM 1277 C ALA A 169 37.413 41.312 67.787 1.00 79.06 C ATOM 1278 O ALA A 169 36.623 40.780 68.619 1.00 80.47 O ATOM 1279 CB ALA A 169 39.621 41.645 69.142 1.00 80.49 C ATOM 1280 HN3 ALA A 169 39.771 42.083 66.337 1.00 0.00 H ATOM 1281 HN2 ALA A 169 39.416 40.479 65.902 1.00 0.00 H ATOM 1282 HN1 ALA A 169 40.774 40.817 66.865 1.00 0.00 H ATOM 1283 N GLU A 170 37.013 42.221 66.848 1.00 78.28 N ATOM 1284 CA GLU A 170 35.664 42.178 66.193 1.00 77.10 C ATOM 1285 C GLU A 170 35.714 41.051 65.135 1.00 73.00 C ATOM 1286 O GLU A 170 34.779 40.266 65.036 1.00 72.41 O ATOM 1287 CB GLU A 170 35.237 43.509 65.553 1.00 78.48 C ATOM 1288 H GLU A 170 37.674 42.977 66.575 1.00 0.00 H ATOM 1289 N LEU A 171 36.816 40.944 64.380 1.00 69.84 N ATOM 1290 CA LEU A 171 37.037 39.779 63.486 1.00 66.37 C ATOM 1291 C LEU A 171 37.039 38.419 64.228 1.00 64.78 C ATOM 1292 O LEU A 171 36.337 37.470 63.832 1.00 63.67 O ATOM 1293 CB LEU A 171 38.344 39.916 62.676 1.00 64.56 C ATOM 1294 CG LEU A 171 38.692 38.725 61.738 1.00 61.48 C ATOM 1295 CD1 LEU A 171 37.665 38.530 60.625 1.00 57.43 C ATOM 1296 CD2 LEU A 171 40.075 38.884 61.136 1.00 60.04 C ATOM 1297 H LEU A 171 37.534 41.695 64.421 1.00 0.00 H ATOM 1298 N GLN A 172 37.869 38.342 65.266 1.00 64.43 N ATOM 1299 CA GLN A 172 37.959 37.207 66.167 1.00 63.55 C ATOM 1300 C GLN A 172 36.580 36.725 66.632 1.00 63.17 C ATOM 1301 O GLN A 172 36.320 35.548 66.628 1.00 62.08 O ATOM 1302 CB GLN A 172 38.782 37.652 67.369 1.00 66.27 C ATOM 1303 CG GLN A 172 39.422 36.577 68.227 1.00 70.55 C ATOM 1304 CD GLN A 172 40.900 36.350 67.849 1.00 75.76 C ATOM 1305 OE1 GLN A 172 41.248 36.156 66.651 1.00 77.86 O ATOM 1306 NE2 GLN A 172 41.772 36.363 68.872 1.00 77.17 N ATOM 1307 HE22 GLN A 172 41.434 36.527 69.842 1.00 0.00 H ATOM 1308 HE21 GLN A 172 42.785 36.209 68.694 1.00 0.00 H ATOM 1309 H GLN A 172 38.497 39.152 65.444 1.00 0.00 H ATOM 1310 N GLN A 173 35.725 37.671 67.026 1.00 64.74 N ATOM 1311 CA GLN A 173 34.365 37.408 67.501 1.00 65.49 C ATOM 1312 C GLN A 173 33.452 36.900 66.385 1.00 64.02 C ATOM 1313 O GLN A 173 32.691 35.946 66.562 1.00 63.89 O ATOM 1314 CB GLN A 173 33.767 38.693 68.107 1.00 68.50 C ATOM 1315 CG GLN A 173 34.144 38.955 69.580 1.00 69.56 C ATOM 1316 CD GLN A 173 33.349 40.092 70.230 1.00 71.30 C ATOM 1317 OE1 GLN A 173 33.151 40.104 71.448 1.00 72.51 O ATOM 1318 NE2 GLN A 173 32.908 41.050 69.424 1.00 69.82 N ATOM 1319 HE22 GLN A 173 33.098 40.999 68.403 1.00 0.00 H ATOM 1320 HE21 GLN A 173 32.372 41.852 69.814 1.00 0.00 H ATOM 1321 H GLN A 173 36.046 38.660 66.994 1.00 0.00 H ATOM 1322 N ARG A 174 33.534 37.553 65.235 1.00 62.82 N ATOM 1323 CA ARG A 174 32.777 37.144 64.043 1.00 61.28 C ATOM 1324 C ARG A 174 33.166 35.746 63.593 1.00 57.29 C ATOM 1325 O ARG A 174 32.338 34.976 63.136 1.00 56.69 O ATOM 1326 CB ARG A 174 33.014 38.132 62.891 1.00 61.85 C ATOM 1327 CG ARG A 174 31.742 38.649 62.213 1.00 65.27 C ATOM 1328 CD ARG A 174 31.897 40.071 61.623 1.00 67.79 C ATOM 1329 NE ARG A 174 33.083 40.243 60.752 1.00 66.76 N ATOM 1330 CZ ARG A 174 34.115 41.066 60.988 1.00 67.99 C ATOM 1331 NH1 ARG A 174 34.156 41.831 62.079 1.00 70.46 N ATOM 1332 NH2 ARG A 174 35.130 41.119 60.124 1.00 66.52 N ATOM 1333 HE ARG A 174 33.118 39.676 59.881 1.00 0.00 H ATOM 1334 HH12 ARG A 174 34.967 42.462 62.242 1.00 0.00 H ATOM 1335 HH11 ARG A 174 33.377 41.797 62.768 1.00 0.00 H ATOM 1336 HH22 ARG A 174 35.933 41.756 60.303 1.00 0.00 H ATOM 1337 HH21 ARG A 174 35.119 40.523 59.271 1.00 0.00 H ATOM 1338 H ARG A 174 34.156 38.384 65.173 1.00 0.00 H ATOM 1339 N THR A 175 34.441 35.410 63.751 1.00 54.62 N ATOM 1340 CA THR A 175 34.953 34.115 63.351 1.00 51.34 C ATOM 1341 C THR A 175 34.487 33.048 64.293 1.00 50.57 C ATOM 1342 O THR A 175 34.120 31.953 63.864 1.00 48.63 O ATOM 1343 CB THR A 175 36.492 34.113 63.281 1.00 50.59 C ATOM 1344 OG1 THR A 175 36.916 35.215 62.467 1.00 50.88 O ATOM 1345 CG2 THR A 175 37.008 32.812 62.697 1.00 44.34 C ATOM 1346 HG1 THR A 175 36.598 36.062 62.869 1.00 0.00 H ATOM 1347 H THR A 175 35.094 36.099 64.176 1.00 0.00 H ATOM 1348 N GLY A 176 34.517 33.376 65.578 1.00 51.41 N ATOM 1349 CA GLY A 176 33.960 32.511 66.627 1.00 51.62 C ATOM 1350 C GLY A 176 32.508 32.146 66.355 1.00 52.47 C ATOM 1351 O GLY A 176 32.116 30.989 66.510 1.00 52.55 O ATOM 1352 H GLY A 176 34.951 34.280 65.853 1.00 0.00 H ATOM 1353 N ALA A 177 31.726 33.136 65.924 1.00 53.22 N ATOM 1354 CA ALA A 177 30.306 32.948 65.627 1.00 54.61 C ATOM 1355 C ALA A 177 30.080 32.040 64.412 1.00 52.49 C ATOM 1356 O ALA A 177 29.163 31.214 64.403 1.00 53.60 O ATOM 1357 CB ALA A 177 29.621 34.316 65.431 1.00 56.51 C ATOM 1358 H ALA A 177 32.142 34.080 65.794 1.00 0.00 H ATOM 1359 N VAL A 178 30.927 32.171 63.394 1.00 50.39 N ATOM 1360 CA VAL A 178 30.797 31.346 62.205 1.00 48.15 C ATOM 1361 C VAL A 178 31.206 29.957 62.615 1.00 46.87 C ATOM 1362 O VAL A 178 30.481 28.992 62.404 1.00 47.18 O ATOM 1363 CB VAL A 178 31.595 31.906 61.017 1.00 46.65 C ATOM 1364 CG1 VAL A 178 31.520 30.959 59.854 1.00 42.57 C ATOM 1365 CG2 VAL A 178 31.024 33.334 60.628 1.00 48.78 C ATOM 1366 H VAL A 178 31.692 32.873 63.450 1.00 0.00 H ATOM 1367 N TYR A 179 32.329 29.848 63.290 1.00 46.06 N ATOM 1368 CA TYR A 179 32.733 28.539 63.801 1.00 45.54 C ATOM 1369 C TYR A 179 31.588 27.817 64.513 1.00 47.77 C ATOM 1370 O TYR A 179 31.364 26.631 64.271 1.00 47.26 O ATOM 1371 CB TYR A 179 33.888 28.680 64.766 1.00 44.41 C ATOM 1372 CG TYR A 179 35.272 28.442 64.228 1.00 42.78 C ATOM 1373 CD1 TYR A 179 35.558 27.375 63.402 1.00 44.13 C ATOM 1374 CD2 TYR A 179 36.310 29.265 64.588 1.00 44.95 C ATOM 1375 CE1 TYR A 179 36.874 27.128 62.956 1.00 44.08 C ATOM 1376 CE2 TYR A 179 37.631 29.041 64.126 1.00 43.72 C ATOM 1377 CZ TYR A 179 37.898 27.972 63.321 1.00 42.06 C ATOM 1378 OH TYR A 179 39.203 27.722 62.923 1.00 44.00 O ATOM 1379 HH TYR A 179 39.223 26.917 62.347 1.00 0.00 H ATOM 1380 H TYR A 179 32.924 30.684 63.459 1.00 0.00 H ATOM 1381 N ALA A 180 30.881 28.526 65.395 1.00 50.27 N ATOM 1382 CA ALA A 180 29.848 27.905 66.222 1.00 52.89 C ATOM 1383 C ALA A 180 28.654 27.435 65.387 1.00 54.66 C ATOM 1384 O ALA A 180 28.073 26.397 65.692 1.00 55.33 O ATOM 1385 CB ALA A 180 29.384 28.858 67.369 1.00 54.73 C ATOM 1386 H ALA A 180 31.069 29.544 65.496 1.00 0.00 H ATOM 1387 N GLU A 181 28.291 28.205 64.354 1.00 56.13 N ATOM 1388 CA GLU A 181 27.245 27.823 63.367 1.00 57.68 C ATOM 1389 C GLU A 181 27.692 26.586 62.566 1.00 55.12 C ATOM 1390 O GLU A 181 26.886 25.719 62.247 1.00 55.68 O ATOM 1391 CB GLU A 181 27.019 28.944 62.337 1.00 59.19 C ATOM 1392 CG GLU A 181 25.988 30.060 62.599 1.00 66.99 C ATOM 1393 CD GLU A 181 26.060 31.234 61.521 1.00 72.73 C ATOM 1394 OE1 GLU A 181 27.153 31.864 61.292 1.00 69.52 O ATOM 1395 OE2 GLU A 181 24.988 31.528 60.911 1.00 79.38 O ATOM 1396 H GLU A 181 28.767 29.122 64.234 1.00 0.00 H ATOM 1397 N LEU A 182 28.965 26.546 62.183 1.00 52.29 N ATOM 1398 CA LEU A 182 29.519 25.403 61.432 1.00 50.97 C ATOM 1399 C LEU A 182 29.455 24.167 62.295 1.00 51.09 C ATOM 1400 O LEU A 182 29.053 23.102 61.822 1.00 51.81 O ATOM 1401 CB LEU A 182 30.983 25.620 60.998 1.00 49.11 C ATOM 1402 CG LEU A 182 31.424 26.705 60.002 1.00 47.99 C ATOM 1403 CD1 LEU A 182 32.956 26.754 59.928 1.00 44.55 C ATOM 1404 CD2 LEU A 182 30.835 26.438 58.634 1.00 49.23 C ATOM 1405 H LEU A 182 29.588 27.344 62.420 1.00 0.00 H ATOM 1406 N ALA A 183 29.857 24.296 63.558 1.00 51.26 N ATOM 1407 CA ALA A 183 29.728 23.201 64.523 1.00 52.15 C ATOM 1408 C ALA A 183 28.283 22.746 64.651 1.00 54.56 C ATOM 1409 O ALA A 183 28.008 21.542 64.605 1.00 55.57 O ATOM 1410 CB ALA A 183 30.266 23.594 65.895 1.00 51.97 C ATOM 1411 H ALA A 183 30.273 25.197 63.867 1.00 0.00 H ATOM 1412 N ALA A 184 27.361 23.695 64.787 1.00 56.41 N ATOM 1413 CA ALA A 184 25.944 23.364 64.960 1.00 58.91 C ATOM 1414 C ALA A 184 25.384 22.647 63.751 1.00 59.75 C ATOM 1415 O ALA A 184 24.539 21.769 63.894 1.00 61.83 O ATOM 1416 CB ALA A 184 25.123 24.613 65.243 1.00 60.86 C ATOM 1417 H ALA A 184 27.652 24.693 64.770 1.00 0.00 H ATOM 1418 N GLN A 185 25.838 23.001 62.554 1.00 59.44 N ATOM 1419 CA GLN A 185 25.332 22.350 61.334 1.00 60.89 C ATOM 1420 C GLN A 185 26.031 21.042 60.970 1.00 58.85 C ATOM 1421 O GLN A 185 25.690 20.444 59.967 1.00 59.62 O ATOM 1422 CB GLN A 185 25.363 23.311 60.140 1.00 61.38 C ATOM 1423 CG GLN A 185 24.136 24.250 60.088 1.00 67.61 C ATOM 1424 CD GLN A 185 22.780 23.525 59.797 1.00 74.89 C ATOM 1425 OE1 GLN A 185 22.459 23.177 58.636 1.00 78.36 O ATOM 1426 NE2 GLN A 185 21.980 23.329 60.853 1.00 75.98 N ATOM 1427 HE22 GLN A 185 22.285 23.633 61.800 1.00 0.00 H ATOM 1428 HE21 GLN A 185 21.054 22.873 60.726 1.00 0.00 H ATOM 1429 H GLN A 185 26.559 23.746 62.478 1.00 0.00 H ATOM 1430 N GLY A 186 26.994 20.595 61.770 1.00 56.89 N ATOM 1431 CA GLY A 186 27.811 19.426 61.402 1.00 55.61 C ATOM 1432 C GLY A 186 28.521 19.571 60.051 1.00 54.46 C ATOM 1433 O GLY A 186 28.539 18.627 59.273 1.00 54.48 O ATOM 1434 H GLY A 186 27.174 21.080 62.672 1.00 0.00 H ATOM 1435 N TRP A 187 29.083 20.758 59.781 1.00 53.33 N ATOM 1436 CA TRP A 187 29.739 21.091 58.494 1.00 52.10 C ATOM 1437 C TRP A 187 30.964 20.207 58.317 1.00 51.21 C ATOM 1438 O TRP A 187 31.855 20.167 59.175 1.00 49.32 O ATOM 1439 CB TRP A 187 30.141 22.564 58.500 1.00 51.27 C ATOM 1440 CG TRP A 187 30.645 23.172 57.258 1.00 49.03 C ATOM 1441 CD1 TRP A 187 29.920 23.828 56.342 1.00 49.58 C ATOM 1442 CD2 TRP A 187 32.017 23.275 56.842 1.00 47.27 C ATOM 1443 NE1 TRP A 187 30.731 24.311 55.342 1.00 50.31 N ATOM 1444 CE2 TRP A 187 32.030 23.998 55.635 1.00 47.68 C ATOM 1445 CE3 TRP A 187 33.226 22.812 57.364 1.00 44.18 C ATOM 1446 CZ2 TRP A 187 33.204 24.265 54.932 1.00 46.14 C ATOM 1447 CZ3 TRP A 187 34.407 23.079 56.665 1.00 43.38 C ATOM 1448 CH2 TRP A 187 34.383 23.790 55.458 1.00 45.40 C ATOM 1449 HE1 TRP A 187 30.409 24.830 54.500 1.00 0.00 H ATOM 1450 H TRP A 187 29.057 21.490 60.520 1.00 0.00 H ATOM 1451 N GLY A 188 30.966 19.448 57.223 1.00 52.37 N ATOM 1452 CA GLY A 188 32.100 18.611 56.868 1.00 51.39 C ATOM 1453 C GLY A 188 32.225 17.387 57.731 1.00 52.04 C ATOM 1454 O GLY A 188 33.221 16.661 57.639 1.00 52.58 O ATOM 1455 H GLY A 188 30.131 19.454 56.604 1.00 0.00 H ATOM 1456 N GLY A 189 31.234 17.125 58.576 1.00 53.34 N ATOM 1457 CA GLY A 189 31.306 15.976 59.495 1.00 53.49 C ATOM 1458 C GLY A 189 30.957 16.297 60.939 1.00 53.61 C ATOM 1459 O GLY A 189 30.392 17.327 61.254 1.00 53.33 O ATOM 1460 H GLY A 189 30.395 17.740 58.589 1.00 0.00 H ATOM 1461 N ARG A 190 31.333 15.402 61.823 1.00 53.52 N ATOM 1462 CA ARG A 190 30.828 15.433 63.169 1.00 55.44 C ATOM 1463 C ARG A 190 31.655 16.382 63.991 1.00 53.04 C ATOM 1464 O ARG A 190 32.859 16.335 63.936 1.00 51.81 O ATOM 1465 CB ARG A 190 30.952 14.035 63.736 1.00 56.63 C ATOM 1466 CG ARG A 190 30.199 13.704 65.035 1.00 63.09 C ATOM 1467 CD ARG A 190 30.362 12.164 65.365 1.00 69.51 C ATOM 1468 NE ARG A 190 31.630 11.604 64.809 1.00 72.33 N ATOM 1469 CZ ARG A 190 32.165 10.406 65.088 1.00 76.05 C ATOM 1470 NH1 ARG A 190 31.563 9.561 65.942 1.00 77.49 N ATOM 1471 NH2 ARG A 190 33.328 10.053 64.506 1.00 74.60 N ATOM 1472 HE ARG A 190 32.151 12.204 64.138 1.00 0.00 H ATOM 1473 HH12 ARG A 190 31.992 8.636 66.147 1.00 0.00 H ATOM 1474 HH11 ARG A 190 30.668 9.832 66.398 1.00 0.00 H ATOM 1475 HH22 ARG A 190 33.753 9.127 64.714 1.00 0.00 H ATOM 1476 HH21 ARG A 190 33.800 10.707 63.849 1.00 0.00 H ATOM 1477 H ARG A 190 32.006 14.659 61.546 1.00 0.00 H ATOM 1478 N TRP A 191 31.003 17.199 64.792 1.00 53.24 N ATOM 1479 CA TRP A 191 31.681 18.171 65.617 1.00 52.26 C ATOM 1480 C TRP A 191 31.528 17.926 67.125 1.00 52.75 C ATOM 1481 O TRP A 191 30.646 17.245 67.565 1.00 54.21 O ATOM 1482 CB TRP A 191 31.117 19.553 65.313 1.00 53.00 C ATOM 1483 CG TRP A 191 31.622 20.207 64.044 1.00 51.31 C ATOM 1484 CD1 TRP A 191 31.177 19.982 62.783 1.00 50.38 C ATOM 1485 CD2 TRP A 191 32.624 21.232 63.945 1.00 45.86 C ATOM 1486 NE1 TRP A 191 31.849 20.788 61.897 1.00 50.30 N ATOM 1487 CE2 TRP A 191 32.732 21.576 62.584 1.00 45.36 C ATOM 1488 CE3 TRP A 191 33.431 21.901 64.882 1.00 43.26 C ATOM 1489 CZ2 TRP A 191 33.617 22.554 62.125 1.00 41.45 C ATOM 1490 CZ3 TRP A 191 34.291 22.879 64.442 1.00 39.56 C ATOM 1491 CH2 TRP A 191 34.397 23.183 63.065 1.00 39.54 C ATOM 1492 HE1 TRP A 191 31.709 20.798 60.867 1.00 0.00 H ATOM 1493 H TRP A 191 29.965 17.142 64.832 1.00 0.00 H ATOM 1494 N LEU A 192 32.394 18.547 67.902 1.00 51.82 N ATOM 1495 CA LEU A 192 32.337 18.525 69.328 1.00 52.23 C ATOM 1496 C LEU A 192 32.819 19.895 69.756 1.00 51.92 C ATOM 1497 O LEU A 192 33.882 20.339 69.334 1.00 50.31 O ATOM 1498 CB LEU A 192 33.308 17.477 69.830 1.00 51.86 C ATOM 1499 CG LEU A 192 33.054 16.958 71.226 1.00 56.03 C ATOM 1500 CD1 LEU A 192 31.771 16.099 71.263 1.00 58.83 C ATOM 1501 CD2 LEU A 192 34.244 16.165 71.675 1.00 56.26 C ATOM 1502 H LEU A 192 33.162 19.083 67.450 1.00 0.00 H ATOM 1503 N VAL A 193 32.041 20.562 70.586 1.00 53.58 N ATOM 1504 CA VAL A 193 32.387 21.866 71.143 1.00 53.86 C ATOM 1505 C VAL A 193 32.794 21.751 72.609 1.00 54.90 C ATOM 1506 O VAL A 193 32.103 21.116 73.368 1.00 55.58 O ATOM 1507 CB VAL A 193 31.197 22.786 71.063 1.00 55.09 C ATOM 1508 CG1 VAL A 193 31.596 24.154 71.500 1.00 53.53 C ATOM 1509 CG2 VAL A 193 30.682 22.780 69.661 1.00 54.03 C ATOM 1510 H VAL A 193 31.132 20.136 70.858 1.00 0.00 H ATOM 1511 N VAL A 194 33.913 22.370 72.980 1.00 55.04 N ATOM 1512 CA VAL A 194 34.470 22.271 74.318 1.00 56.43 C ATOM 1513 C VAL A 194 34.964 23.643 74.801 1.00 59.18 C ATOM 1514 O VAL A 194 35.167 24.555 73.987 1.00 58.99 O ATOM 1515 CB VAL A 194 35.633 21.236 74.359 1.00 54.44 C ATOM 1516 CG1 VAL A 194 35.195 19.936 73.762 1.00 54.62 C ATOM 1517 CG2 VAL A 194 36.845 21.720 73.640 1.00 52.05 C ATOM 1518 H VAL A 194 34.412 22.953 72.278 1.00 0.00 H ATOM 1519 N GLY A 195 35.153 23.799 76.115 1.00 62.44 N ATOM 1520 CA GLY A 195 35.675 25.054 76.682 1.00 65.17 C ATOM 1521 C GLY A 195 37.143 24.904 77.039 1.00 66.32 C ATOM 1522 O GLY A 195 37.693 23.810 76.924 1.00 65.49 O ATOM 1523 H GLY A 195 34.925 23.012 76.755 1.00 0.00 H ATOM 1524 N ALA A 196 37.781 25.981 77.497 1.00 69.44 N ATOM 1525 CA ALA A 196 39.193 25.914 77.935 1.00 70.88 C ATOM 1526 C ALA A 196 39.391 24.993 79.157 1.00 72.96 C ATOM 1527 O ALA A 196 40.486 24.413 79.356 1.00 73.11 O ATOM 1528 CB ALA A 196 39.713 27.321 78.256 1.00 72.81 C ATOM 1529 H ALA A 196 37.275 26.888 77.548 1.00 0.00 H ATOM 1530 N ASP A 197 38.324 24.884 79.960 1.00 74.99 N ATOM 1531 CA ASP A 197 38.243 24.003 81.127 1.00 76.50 C ATOM 1532 C ASP A 197 38.240 22.487 80.793 1.00 73.90 C ATOM 1533 O ASP A 197 38.300 21.648 81.694 1.00 73.73 O ATOM 1534 CB ASP A 197 36.997 24.377 81.988 1.00 79.72 C ATOM 1535 CG ASP A 197 35.697 24.629 81.135 1.00 83.30 C ATOM 1536 OD1 ASP A 197 35.727 25.422 80.154 1.00 84.76 O ATOM 1537 OD2 ASP A 197 34.630 24.049 81.476 1.00 89.35 O ATOM 1538 H ASP A 197 37.492 25.468 79.738 1.00 0.00 H ATOM 1539 N VAL A 198 38.186 22.134 79.513 1.00 71.34 N ATOM 1540 CA VAL A 198 38.027 20.744 79.144 1.00 69.57 C ATOM 1541 C VAL A 198 39.172 19.908 79.703 1.00 68.90 C ATOM 1542 O VAL A 198 40.282 20.403 79.833 1.00 69.11 O ATOM 1543 CB VAL A 198 37.905 20.558 77.630 1.00 68.04 C ATOM 1544 CG1 VAL A 198 39.236 20.760 76.941 1.00 65.52 C ATOM 1545 CG2 VAL A 198 37.357 19.169 77.342 1.00 67.73 C ATOM 1546 H VAL A 198 38.258 22.861 78.773 1.00 0.00 H ATOM 1547 N ASP A 199 38.882 18.668 80.095 1.00 68.23 N ATOM 1548 CA ASP A 199 39.910 17.768 80.587 1.00 67.87 C ATOM 1549 C ASP A 199 40.295 16.918 79.387 1.00 65.44 C ATOM 1550 O ASP A 199 39.431 16.332 78.759 1.00 65.14 O ATOM 1551 CB ASP A 199 39.430 16.913 81.767 1.00 69.07 C ATOM 1552 CG ASP A 199 39.036 17.767 82.998 1.00 74.43 C ATOM 1553 OD1 ASP A 199 39.758 18.735 83.359 1.00 76.97 O ATOM 1554 OD2 ASP A 199 37.977 17.478 83.615 1.00 81.14 O ATOM 1555 H ASP A 199 37.897 18.337 80.048 1.00 0.00 H ATOM 1556 N PRO A 200 41.590 16.897 79.034 1.00 63.98 N ATOM 1557 CA PRO A 200 42.069 16.226 77.815 1.00 61.22 C ATOM 1558 C PRO A 200 41.828 14.730 77.792 1.00 59.37 C ATOM 1559 O PRO A 200 41.460 14.179 76.744 1.00 57.49 O ATOM 1560 CB PRO A 200 43.567 16.510 77.828 1.00 61.36 C ATOM 1561 CG PRO A 200 43.687 17.795 78.584 1.00 64.15 C ATOM 1562 CD PRO A 200 42.632 17.759 79.637 1.00 65.13 C ATOM 1563 N GLY A 201 42.055 14.069 78.922 1.00 58.44 N ATOM 1564 CA GLY A 201 41.802 12.636 78.997 1.00 56.70 C ATOM 1565 C GLY A 201 40.340 12.334 78.800 1.00 55.27 C ATOM 1566 O GLY A 201 39.963 11.316 78.246 1.00 55.37 O ATOM 1567 H GLY A 201 42.414 14.576 79.756 1.00 0.00 H ATOM 1568 N ARG A 202 39.495 13.234 79.272 1.00 55.42 N ATOM 1569 CA ARG A 202 38.049 13.076 79.147 1.00 55.29 C ATOM 1570 C ARG A 202 37.637 13.271 77.681 1.00 53.41 C ATOM 1571 O ARG A 202 36.831 12.507 77.139 1.00 53.46 O ATOM 1572 CB ARG A 202 37.381 14.104 80.056 1.00 56.99 C ATOM 1573 CG ARG A 202 35.990 13.778 80.543 1.00 58.95 C ATOM 1574 CD ARG A 202 36.025 13.797 82.055 1.00 61.30 C ATOM 1575 NE ARG A 202 34.860 14.374 82.746 1.00 63.11 N ATOM 1576 CZ ARG A 202 33.589 14.015 82.575 1.00 60.87 C ATOM 1577 NH1 ARG A 202 33.244 13.114 81.677 1.00 58.07 N ATOM 1578 NH2 ARG A 202 32.655 14.604 83.297 1.00 62.54 N ATOM 1579 HE ARG A 202 35.047 15.133 83.432 1.00 0.00 H ATOM 1580 HH12 ARG A 202 32.245 12.850 81.562 1.00 0.00 H ATOM 1581 HH11 ARG A 202 33.971 12.667 81.083 1.00 0.00 H ATOM 1582 HH22 ARG A 202 31.658 14.335 83.176 1.00 0.00 H ATOM 1583 HH21 ARG A 202 32.916 15.337 83.987 1.00 0.00 H ATOM 1584 H ARG A 202 39.871 14.080 79.746 1.00 0.00 H ATOM 1585 N LEU A 203 38.215 14.282 77.037 1.00 51.52 N ATOM 1586 CA LEU A 203 37.960 14.544 75.631 1.00 49.21 C ATOM 1587 C LEU A 203 38.445 13.407 74.754 1.00 46.47 C ATOM 1588 O LEU A 203 37.739 12.947 73.872 1.00 45.95 O ATOM 1589 CB LEU A 203 38.618 15.866 75.210 1.00 48.92 C ATOM 1590 CG LEU A 203 38.526 16.235 73.725 1.00 48.04 C ATOM 1591 CD1 LEU A 203 37.078 16.400 73.380 1.00 48.58 C ATOM 1592 CD2 LEU A 203 39.297 17.483 73.455 1.00 46.64 C ATOM 1593 H LEU A 203 38.869 14.903 77.556 1.00 0.00 H ATOM 1594 N ALA A 204 39.632 12.921 75.047 1.00 45.30 N ATOM 1595 CA ALA A 204 40.231 11.824 74.317 1.00 44.75 C ATOM 1596 C ALA A 204 39.347 10.588 74.363 1.00 46.02 C ATOM 1597 O ALA A 204 39.149 9.888 73.378 1.00 46.34 O ATOM 1598 CB ALA A 204 41.586 11.506 74.887 1.00 43.70 C ATOM 1599 H ALA A 204 40.162 13.343 75.836 1.00 0.00 H ATOM 1600 N ALA A 205 38.842 10.308 75.544 1.00 47.72 N ATOM 1601 CA ALA A 205 37.974 9.179 75.742 1.00 48.98 C ATOM 1602 C ALA A 205 36.686 9.371 74.936 1.00 49.47 C ATOM 1603 O ALA A 205 36.206 8.414 74.376 1.00 51.46 O ATOM 1604 CB ALA A 205 37.690 9.011 77.240 1.00 50.01 C ATOM 1605 H ALA A 205 39.076 10.917 76.354 1.00 0.00 H ATOM 1606 N THR A 206 36.137 10.590 74.849 1.00 49.09 N ATOM 1607 CA THR A 206 34.978 10.838 73.992 1.00 48.98 C ATOM 1608 C THR A 206 35.307 10.668 72.522 1.00 48.33 C ATOM 1609 O THR A 206 34.512 10.159 71.773 1.00 49.68 O ATOM 1610 CB THR A 206 34.398 12.242 74.193 1.00 49.20 C ATOM 1611 OG1 THR A 206 34.003 12.396 75.560 1.00 52.39 O ATOM 1612 CG2 THR A 206 33.201 12.471 73.267 1.00 48.35 C ATOM 1613 HG1 THR A 206 34.792 12.274 76.146 1.00 0.00 H ATOM 1614 H THR A 206 36.542 11.373 75.400 1.00 0.00 H ATOM 1615 N LEU A 207 36.492 11.071 72.114 1.00 47.50 N ATOM 1616 CA LEU A 207 36.831 11.036 70.715 1.00 47.57 C ATOM 1617 C LEU A 207 37.122 9.628 70.190 1.00 48.66 C ATOM 1618 O LEU A 207 36.640 9.246 69.122 1.00 49.76 O ATOM 1619 CB LEU A 207 38.021 11.965 70.443 1.00 46.62 C ATOM 1620 CG LEU A 207 37.860 13.479 70.681 1.00 45.92 C ATOM 1621 CD1 LEU A 207 39.166 14.165 70.470 1.00 43.02 C ATOM 1622 CD2 LEU A 207 36.817 14.080 69.779 1.00 47.01 C ATOM 1623 H LEU A 207 37.187 11.417 72.806 1.00 0.00 H ATOM 1624 N ALA A 208 37.921 8.865 70.924 1.00 49.43 N ATOM 1625 CA ALA A 208 38.317 7.509 70.514 1.00 50.40 C ATOM 1626 C ALA A 208 38.135 6.556 71.671 1.00 52.18 C ATOM 1627 O ALA A 208 39.098 6.203 72.350 1.00 51.74 O ATOM 1628 CB ALA A 208 39.759 7.485 70.063 1.00 49.87 C ATOM 1629 H ALA A 208 38.282 9.240 71.825 1.00 0.00 H ATOM 1630 N PRO A 209 36.883 6.175 71.932 1.00 54.66 N ATOM 1631 CA PRO A 209 36.603 5.332 73.053 1.00 56.00 C ATOM 1632 C PRO A 209 37.226 3.962 72.775 1.00 57.35 C ATOM 1633 O PRO A 209 36.952 3.356 71.730 1.00 58.08 O ATOM 1634 CB PRO A 209 35.068 5.215 73.047 1.00 57.00 C ATOM 1635 CG PRO A 209 34.578 6.148 72.056 1.00 56.73 C ATOM 1636 CD PRO A 209 35.681 6.353 71.089 1.00 55.77 C ATOM 1637 N PRO A 210 38.042 3.471 73.710 1.00 57.85 N ATOM 1638 CA PRO A 210 38.672 2.159 73.648 1.00 58.80 C ATOM 1639 C PRO A 210 37.694 0.981 73.315 1.00 60.68 C ATOM 1640 O PRO A 210 38.049 0.165 72.418 1.00 60.56 O ATOM 1641 CB PRO A 210 39.259 1.989 75.053 1.00 59.43 C ATOM 1642 CG PRO A 210 39.242 3.339 75.658 1.00 58.66 C ATOM 1643 CD PRO A 210 38.117 4.057 75.054 1.00 58.03 C ATOM 1644 OXT PRO A 210 36.576 0.815 73.916 1.00 60.82 O TER 1645 PRO A 210 HETATM 1646 O HOH 1 38.181 21.435 59.750 1.00 32.44 O HETATM 1647 O HOH 2 43.086 30.411 64.932 1.00 52.11 O HETATM 1648 O HOH 3 36.958 29.604 69.164 1.00 35.98 O HETATM 1649 O HOH 4 46.742 28.395 76.771 1.00 37.85 O HETATM 1650 O HOH 5 43.592 24.843 76.107 1.00 36.35 O HETATM 1651 O HOH 6 50.632 21.745 69.907 1.00 43.89 O HETATM 1652 O HOH 7 51.308 10.340 77.934 1.00 35.26 O HETATM 1653 O HOH 8 53.265 8.777 69.083 1.00 30.72 O HETATM 1654 O HOH 9 53.258 15.448 68.882 1.00 50.15 O HETATM 1655 O HOH 10 51.325 2.186 69.203 1.00 45.46 O HETATM 1656 O HOH 11 45.790 1.047 67.789 1.00 49.76 O HETATM 1657 O HOH 12 53.969 15.038 64.929 1.00 38.90 O HETATM 1658 O HOH 13 54.244 17.487 64.870 1.00 44.17 O HETATM 1659 O HOH 14 47.687 25.939 63.429 1.00 35.94 O HETATM 1660 O HOH 15 54.187 18.803 56.379 1.00 39.46 O HETATM 1661 O HOH 16 55.754 24.873 49.010 1.00 36.80 O HETATM 1662 O HOH 17 52.882 25.555 48.667 1.00 38.76 O HETATM 1663 O HOH 18 48.223 42.294 49.550 1.00 31.08 O HETATM 1664 O HOH 19 45.937 43.603 53.749 1.00 35.86 O HETATM 1665 O HOH 20 53.539 45.685 54.191 1.00 36.21 O HETATM 1666 O HOH 21 50.761 45.873 48.902 1.00 43.39 O HETATM 1667 O HOH 22 55.829 42.277 47.898 1.00 37.28 O HETATM 1668 O HOH 23 54.089 44.403 46.440 1.00 36.85 O HETATM 1669 O HOH 24 48.774 47.198 44.486 1.00 50.90 O HETATM 1670 O HOH 25 31.080 35.283 48.854 1.00 37.08 O HETATM 1671 O HOH 26 29.952 27.670 70.672 1.00 37.19 O HETATM 1672 O HOH 27 46.646 25.952 55.000 1.00 36.31 O HETATM 1673 O HOH 28 48.884 22.147 45.735 1.00 49.21 O HETATM 1674 O HOH 29 31.540 7.264 73.470 1.00 32.06 O HETATM 1675 O HOH 30 49.878 22.642 67.107 1.00 36.97 O HETATM 1676 O HOH 31 39.952 41.339 54.484 1.00 44.36 O HETATM 1677 O HOH 32 30.030 32.199 53.944 1.00 40.74 O HETATM 1678 O HOH 33 27.402 28.092 53.471 1.00 33.06 O HETATM 1679 O HOH 34 29.460 29.694 47.192 1.00 41.08 O HETATM 1680 O HOH 35 28.441 25.557 53.585 1.00 25.78 O HETATM 1681 O HOH 36 33.202 26.322 43.301 1.00 43.09 O HETATM 1682 O HOH 37 35.399 24.367 42.070 1.00 51.57 O HETATM 1683 O HOH 38 32.773 12.667 60.858 1.00 43.59 O HETATM 1684 O HOH 39 34.266 16.222 61.304 1.00 40.47 O HETATM 1685 O HOH 40 30.560 33.032 69.374 1.00 25.78 O HETATM 1686 O HOH 41 27.639 25.189 68.486 1.00 29.12 O HETATM 1687 O HOH 42 27.815 17.385 64.684 1.00 36.60 O HETATM 1688 O HOH 43 34.230 21.339 78.123 1.00 41.38 O HETATM 1689 O HOH 44 35.809 17.978 80.725 1.00 44.93 O HETATM 1690 O HOH 45 34.299 11.758 78.307 1.00 43.75 O HETATM 1691 O HOH 46 33.768 7.614 75.093 1.00 38.57 O HETATM 1692 O HOH 47 33.978 46.429 48.662 1.00 65.14 O HETATM 1693 C5 TXW A 48 41.805 32.373 55.992 1.00 -0.01 C HETATM 1694 C6 TXW A 48 42.460 31.428 56.742 1.00 0.09 C HETATM 1695 C7 TXW A 48 43.069 31.806 57.936 1.00 0.03 C HETATM 1696 C13 TXW A 48 43.003 33.141 58.327 1.00 0.02 C HETATM 1697 C15 TXW A 48 43.676 33.668 59.562 1.00 -0.02 C HETATM 1698 H4 TXW A 48 43.479 34.746 59.655 1.00 0.04 H HETATM 1699 H5 TXW A 48 44.760 33.499 59.489 1.00 0.04 H HETATM 1700 H6 TXW A 48 43.282 33.145 60.446 1.00 0.04 H HETATM 1701 N14 TXW A 48 42.356 34.045 57.589 1.00 -0.31 N HETATM 1702 C4 TXW A 48 41.769 33.667 56.454 1.00 0.01 C HETATM 1703 C3 TXW A 48 41.047 34.741 55.676 1.00 -0.01 C HETATM 1704 C2 TXW A 48 41.935 35.597 54.822 1.00 -0.04 C HETATM 1705 C1 TXW A 48 43.276 35.771 55.473 1.00 -0.06 C HETATM 1706 H7 TXW A 48 43.914 36.400 54.835 1.00 0.02 H HETATM 1707 H8 TXW A 48 43.749 34.787 55.608 1.00 0.02 H HETATM 1708 H9 TXW A 48 43.148 36.254 56.453 1.00 0.02 H HETATM 1709 H12 TXW A 48 42.068 35.117 53.841 1.00 0.03 H HETATM 1710 H13 TXW A 48 41.467 36.583 54.687 1.00 0.03 H HETATM 1711 H10 TXW A 48 40.528 35.394 56.393 1.00 0.05 H HETATM 1712 H11 TXW A 48 40.309 34.254 55.022 1.00 0.05 H HETATM 1713 C8 TXW A 48 43.733 30.781 58.695 1.00 -0.05 C HETATM 1714 C9 TXW A 48 43.763 29.499 58.262 1.00 0.00 C HETATM 1715 C10 TXW A 48 43.119 29.104 57.014 1.00 0.21 C HETATM 1716 N12 TXW A 48 42.489 30.106 56.332 1.00 -0.23 N HETATM 1717 H14 TXW A 48 42.019 29.869 55.482 1.00 0.24 H HETATM 1718 O11 TXW A 48 43.128 27.949 56.560 1.00 -0.40 O HETATM 1719 H3 TXW A 48 44.279 28.747 58.858 1.00 0.06 H HETATM 1720 H2 TXW A 48 44.220 31.041 59.634 1.00 0.07 H HETATM 1721 H1 TXW A 48 41.327 32.105 55.057 1.00 0.05 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1275 1276 1280 1281 1282 CONECT 1280 1275 CONECT 1281 1275 CONECT 1282 1275 CONECT 1693 1694 1702 1721 CONECT 1694 1693 1695 1716 CONECT 1695 1694 1696 1713 CONECT 1696 1695 1697 1701 CONECT 1697 1696 1698 1699 1700 CONECT 1698 1697 CONECT 1699 1697 CONECT 1700 1697 CONECT 1701 1696 1702 CONECT 1702 1693 1701 1703 CONECT 1703 1702 1704 1711 1712 CONECT 1704 1703 1705 1709 1710 CONECT 1705 1704 1706 1707 1708 CONECT 1706 1705 CONECT 1707 1705 CONECT 1708 1705 CONECT 1709 1704 CONECT 1710 1704 CONECT 1711 1703 CONECT 1712 1703 CONECT 1713 1695 1714 1720 CONECT 1714 1713 1715 1719 CONECT 1715 1714 1716 1718 CONECT 1716 1694 1715 1717 CONECT 1717 1716 CONECT 1718 1715 CONECT 1719 1714 CONECT 1720 1713 CONECT 1721 1693 MASTER 0 0 0 0 0 0 0 0 1719 2 37 15 END
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Related entries of code: 4unp
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
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PDBbind
214aa, >1MRN_1|Chain... *
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PDBbind
214aa, >1MRS_1|Chain... at 100%
1w2g
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PDBbind
214aa, >1W2G_1|Chains... at 100%
1w2h
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PDBbind
214aa, >1W2H_1|Chains... at 100%
4unn
RCSB PDB
PDBbind
214aa, >4UNN_1|Chains... at 99%
4unq
RCSB PDB
PDBbind
210aa, >4UNQ_1|Chains... at 100%
4unr
RCSB PDB
PDBbind
210aa, >4UNR_1|Chains... at 100%
4uns
RCSB PDB
PDBbind
210aa, >4UNS_1|Chains... at 100%
5nq5
RCSB PDB
PDBbind
214aa, >5NQ5_1|Chain... at 100%
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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
4unp
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
M. Tuberculosis Thymidylate Kinase (Mtb Tmk)
Ligand Name
TXW
EC.Number
E.C.2.7.4.9
Resolution
2.3(Å)
Affinity (Kd/Ki/IC50)
Kd=590uM
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
2
H
1
4
N
2
O
Molecular Weight
202.252
Exact Mass
202.111
No. of atoms
29
No. of bonds
30
Polar Surface Area
45.75
LOGP Value
1.85 (
Computed with XLOGP3
)
2.18 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 2
Canonical SMILES
CCCc1nc(C)c2c(c1)[nH]c(=O)cc2
InChI String
InChI=1S/C12H14N2O/c1-3-4-9-7-11-10(8(2)13-9)5-6-12(15)14-11/h5-7H,3-4H2,1-2H3,(H,14,15)
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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