Browse entries in the PDBbind-CN Database
HEADER 4KXN_COMPLEX COMPND 4KXN_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 39 ARG SER VAL TYR PHE CYS GLY SER ILE ARG GLY GLY ARG SEQRES 2 A 39 GLU ASP GLN ALA LEU TYR ALA ARG ILE VAL SER ARG LEU SEQRES 3 A 39 ARG ARG TYR GLY LYS VAL LEU THR GLU HIS VAL ALA ASP SEQRES 1 A 92 ALA GLY GLY ASP GLN PHE ILE HIS GLU GLN ASN LEU ASN SEQRES 2 A 92 TRP LEU GLN GLN ALA ASP VAL VAL VAL ALA GLU VAL THR SEQRES 3 A 92 GLN PRO SER LEU GLY VAL GLY TYR GLU LEU GLY ARG ALA SEQRES 4 A 92 VAL ALA LEU GLY LYS PRO ILE LEU CYS LEU PHE ARG PRO SEQRES 5 A 92 GLN SER GLY ARG VAL LEU SER ALA MET ILE ARG GLY ALA SEQRES 6 A 92 ALA ASP GLY SER ARG PHE GLN VAL TRP ASP TYR ALA GLU SEQRES 7 A 92 GLY GLU VAL GLU THR MET LEU ASP ARG TYR PHE GLU ALA SEQRES 8 A 92 TYR SEQRES 1 B 34 ARG SER VAL TYR PHE CYS GLY SER ILE ARG GLY GLY ARG SEQRES 2 B 34 GLU ASP GLN ALA LEU TYR ALA ARG ILE VAL SER ARG LEU SEQRES 3 B 34 ARG ARG TYR GLY LYS VAL LEU THR SEQRES 1 B 92 GLY ASP GLN PHE ILE HIS GLU GLN ASN LEU ASN TRP LEU SEQRES 2 B 92 GLN GLN ALA ASP VAL VAL VAL ALA GLU VAL THR GLN PRO SEQRES 3 B 92 SER LEU GLY VAL GLY TYR GLU LEU GLY ARG ALA VAL ALA SEQRES 4 B 92 LEU GLY LYS PRO ILE LEU CYS LEU PHE ARG PRO GLN SER SEQRES 5 B 92 GLY ARG VAL LEU SER ALA MET ILE ARG GLY ALA ALA ASP SEQRES 6 B 92 GLY SER ARG PHE GLN VAL TRP ASP TYR ALA GLU GLY GLU SEQRES 7 B 92 VAL GLU THR MET LEU ASP ARG TYR PHE GLU ALA TYR LEU SEQRES 8 B 92 VAL HET UNN A 394 45 ATOM 1 N ARG A 10 22.299 -10.471 29.699 1.00 29.91 N ATOM 2 CA ARG A 10 21.807 -9.068 29.700 1.00 28.26 C ATOM 3 C ARG A 10 20.513 -8.926 30.509 1.00 26.38 C ATOM 4 O ARG A 10 19.643 -9.795 30.459 1.00 26.56 O ATOM 5 CB ARG A 10 21.610 -8.562 28.263 1.00 28.58 C ATOM 6 CG ARG A 10 21.363 -7.056 28.171 1.00 27.73 C ATOM 7 CD ARG A 10 21.142 -6.567 26.746 1.00 29.42 C ATOM 8 NE ARG A 10 22.397 -6.252 26.064 1.00 32.09 N ATOM 9 CZ ARG A 10 22.491 -5.587 24.912 1.00 32.76 C ATOM 10 NH1 ARG A 10 21.401 -5.141 24.289 1.00 31.07 N ATOM 11 NH2 ARG A 10 23.687 -5.358 24.385 1.00 33.73 N ATOM 12 HE ARG A 10 23.281 -6.570 26.510 1.00 0.00 H ATOM 13 HH12 ARG A 10 21.490 -4.624 23.391 1.00 0.00 H ATOM 14 HH11 ARG A 10 20.461 -5.310 24.701 1.00 0.00 H ATOM 15 HH22 ARG A 10 23.769 -4.840 23.487 1.00 0.00 H ATOM 16 HH21 ARG A 10 24.542 -5.696 24.870 1.00 0.00 H ATOM 17 HN3 ARG A 10 21.577 -11.090 29.277 1.00 0.00 H ATOM 18 HN2 ARG A 10 22.487 -10.772 30.677 1.00 0.00 H ATOM 19 HN1 ARG A 10 23.176 -10.529 29.142 1.00 0.00 H ATOM 20 N SER A 11 20.404 -7.831 31.257 1.00 24.71 N ATOM 21 CA SER A 11 19.223 -7.555 32.081 1.00 23.29 C ATOM 22 C SER A 11 18.399 -6.421 31.489 1.00 21.55 C ATOM 23 O SER A 11 18.951 -5.408 31.048 1.00 21.14 O ATOM 24 CB SER A 11 19.632 -7.207 33.513 1.00 23.13 C ATOM 25 OG SER A 11 20.514 -6.098 33.525 1.00 23.29 O ATOM 26 HG SER A 11 20.767 -5.889 34.459 1.00 0.00 H ATOM 27 H SER A 11 21.186 -7.145 31.257 1.00 0.00 H ATOM 28 N VAL A 12 17.080 -6.605 31.477 1.00 20.23 N ATOM 29 CA VAL A 12 16.166 -5.666 30.833 1.00 18.73 C ATOM 30 C VAL A 12 15.031 -5.319 31.787 1.00 17.23 C ATOM 31 O VAL A 12 14.342 -6.198 32.305 1.00 17.35 O ATOM 32 CB VAL A 12 15.566 -6.235 29.514 1.00 19.54 C ATOM 33 CG1 VAL A 12 14.701 -5.189 28.817 1.00 18.49 C ATOM 34 CG2 VAL A 12 16.660 -6.754 28.570 1.00 20.93 C ATOM 35 H VAL A 12 16.687 -7.448 31.943 1.00 0.00 H ATOM 36 N TYR A 13 14.855 -4.027 32.022 1.00 15.53 N ATOM 37 CA TYR A 13 13.755 -3.534 32.827 1.00 14.17 C ATOM 38 C TYR A 13 12.655 -3.050 31.885 1.00 13.59 C ATOM 39 O TYR A 13 12.896 -2.166 31.059 1.00 13.04 O ATOM 40 CB TYR A 13 14.248 -2.378 33.698 1.00 13.53 C ATOM 41 CG TYR A 13 13.311 -1.947 34.811 1.00 12.00 C ATOM 42 CD1 TYR A 13 13.594 -2.268 36.128 1.00 10.80 C ATOM 43 CD2 TYR A 13 12.152 -1.197 34.543 1.00 10.15 C ATOM 44 CE1 TYR A 13 12.772 -1.865 37.157 1.00 11.78 C ATOM 45 CE2 TYR A 13 11.303 -0.802 35.569 1.00 8.29 C ATOM 46 CZ TYR A 13 11.627 -1.133 36.878 1.00 10.32 C ATOM 47 OH TYR A 13 10.822 -0.757 37.924 1.00 10.02 O ATOM 48 HH TYR A 13 9.921 -1.150 37.804 1.00 0.00 H ATOM 49 H TYR A 13 15.527 -3.345 31.616 1.00 0.00 H ATOM 50 N PHE A 14 11.462 -3.630 31.996 1.00 13.29 N ATOM 51 CA PHE A 14 10.313 -3.159 31.201 1.00 13.13 C ATOM 52 C PHE A 14 9.249 -2.418 32.013 1.00 11.87 C ATOM 53 O PHE A 14 8.799 -2.893 33.060 1.00 12.34 O ATOM 54 CB PHE A 14 9.674 -4.279 30.366 1.00 14.25 C ATOM 55 CG PHE A 14 8.468 -3.829 29.585 1.00 15.43 C ATOM 56 CD1 PHE A 14 7.201 -4.342 29.874 1.00 16.13 C ATOM 57 CD2 PHE A 14 8.589 -2.862 28.582 1.00 16.38 C ATOM 58 CE1 PHE A 14 6.080 -3.912 29.163 1.00 17.14 C ATOM 59 CE2 PHE A 14 7.472 -2.419 27.872 1.00 16.86 C ATOM 60 CZ PHE A 14 6.212 -2.955 28.160 1.00 16.50 C ATOM 61 H PHE A 14 11.339 -4.427 32.653 1.00 0.00 H ATOM 62 N CYS A 15 8.859 -1.252 31.503 1.00 10.69 N ATOM 63 CA CYS A 15 7.864 -0.397 32.121 1.00 9.81 C ATOM 64 C CYS A 15 6.558 -0.414 31.326 1.00 9.85 C ATOM 65 O CYS A 15 6.549 -0.203 30.109 1.00 9.43 O ATOM 66 CB CYS A 15 8.393 1.042 32.217 1.00 9.08 C ATOM 67 SG CYS A 15 10.099 1.189 32.814 1.00 10.53 S ATOM 68 H CYS A 15 9.292 -0.937 30.612 1.00 0.00 H ATOM 69 N GLY A 16 5.456 -0.658 32.030 1.00 9.79 N ATOM 70 CA GLY A 16 4.123 -0.626 31.437 1.00 9.74 C ATOM 71 C GLY A 16 3.097 -0.378 32.519 1.00 9.38 C ATOM 72 O GLY A 16 3.271 -0.824 33.650 1.00 9.56 O ATOM 73 H GLY A 16 5.548 -0.880 33.042 1.00 0.00 H ATOM 74 N SER A 17 2.031 0.348 32.186 1.00 9.66 N ATOM 75 CA SER A 17 1.038 0.755 33.194 1.00 9.50 C ATOM 76 C SER A 17 0.361 -0.394 33.938 1.00 10.07 C ATOM 77 O SER A 17 -0.056 -1.385 33.331 1.00 10.67 O ATOM 78 CB SER A 17 -0.041 1.629 32.560 1.00 10.52 C ATOM 79 OG SER A 17 -1.130 1.793 33.458 1.00 10.24 O ATOM 80 HG SER A 17 -1.515 0.907 33.673 1.00 0.00 H ATOM 81 H SER A 17 1.898 0.633 31.195 1.00 0.00 H ATOM 82 N ILE A 18 0.234 -0.240 35.254 1.00 9.99 N ATOM 83 CA ILE A 18 -0.486 -1.201 36.080 1.00 10.50 C ATOM 84 C ILE A 18 -1.717 -0.519 36.682 1.00 11.15 C ATOM 85 O ILE A 18 -2.818 -0.703 36.180 1.00 11.66 O ATOM 86 CB ILE A 18 0.419 -1.845 37.167 1.00 10.34 C ATOM 87 CG1 ILE A 18 1.573 -2.616 36.498 1.00 10.34 C ATOM 88 CG2 ILE A 18 -0.409 -2.735 38.103 1.00 10.35 C ATOM 89 CD1 ILE A 18 2.348 -3.549 37.430 1.00 11.42 C ATOM 90 H ILE A 18 0.662 0.592 35.707 1.00 0.00 H ATOM 91 N ARG A 19 -1.522 0.274 37.738 1.00 11.36 N ATOM 92 CA ARG A 19 -2.618 1.048 38.342 1.00 12.14 C ATOM 93 C ARG A 19 -2.946 2.315 37.543 1.00 11.98 C ATOM 94 O ARG A 19 -3.927 2.997 37.826 1.00 12.67 O ATOM 95 CB ARG A 19 -2.307 1.382 39.807 1.00 12.29 C ATOM 96 CG ARG A 19 -2.247 0.151 40.705 1.00 13.07 C ATOM 97 CD ARG A 19 -1.694 0.477 42.076 1.00 13.22 C ATOM 98 NE ARG A 19 -1.624 -0.698 42.943 1.00 15.12 N ATOM 99 CZ ARG A 19 -0.996 -0.724 44.116 1.00 15.27 C ATOM 100 NH1 ARG A 19 -0.387 0.362 44.570 1.00 13.00 N ATOM 101 NH2 ARG A 19 -0.985 -1.834 44.840 1.00 16.94 N ATOM 102 HE ARG A 19 -2.095 -1.568 42.623 1.00 0.00 H ATOM 103 HH12 ARG A 19 0.103 0.338 45.487 1.00 0.00 H ATOM 104 HH11 ARG A 19 -0.399 1.238 44.009 1.00 0.00 H ATOM 105 HH22 ARG A 19 -0.494 -1.852 45.756 1.00 0.00 H ATOM 106 HH21 ARG A 19 -1.468 -2.687 44.492 1.00 0.00 H ATOM 107 H ARG A 19 -0.568 0.347 38.146 1.00 0.00 H ATOM 108 N GLY A 20 -2.121 2.623 36.545 1.00 11.13 N ATOM 109 CA GLY A 20 -2.459 3.659 35.570 1.00 11.21 C ATOM 110 C GLY A 20 -3.493 3.169 34.571 1.00 11.89 C ATOM 111 O GLY A 20 -3.962 3.946 33.730 1.00 12.73 O ATOM 112 H GLY A 20 -1.217 2.116 36.457 1.00 0.00 H ATOM 113 N GLY A 21 -3.848 1.884 34.670 1.00 11.99 N ATOM 114 CA GLY A 21 -4.823 1.237 33.779 1.00 13.18 C ATOM 115 C GLY A 21 -4.219 0.092 32.983 1.00 12.99 C ATOM 116 O GLY A 21 -3.094 0.207 32.496 1.00 12.59 O ATOM 117 H GLY A 21 -3.410 1.310 35.419 1.00 0.00 H ATOM 118 N ARG A 22 -4.972 -1.000 32.851 1.00 14.56 N ATOM 119 CA ARG A 22 -4.497 -2.265 32.244 1.00 15.35 C ATOM 120 C ARG A 22 -5.003 -2.538 30.826 1.00 16.44 C ATOM 121 O ARG A 22 -5.059 -3.693 30.399 1.00 17.96 O ATOM 122 CB ARG A 22 -4.895 -3.465 33.124 1.00 15.58 C ATOM 123 CG ARG A 22 -4.236 -3.500 34.493 1.00 15.06 C ATOM 124 CD ARG A 22 -2.726 -3.585 34.380 1.00 12.71 C ATOM 125 NE ARG A 22 -2.303 -4.904 33.919 1.00 13.02 N ATOM 126 CZ ARG A 22 -1.100 -5.180 33.429 1.00 11.20 C ATOM 127 NH1 ARG A 22 -0.825 -6.418 33.047 1.00 12.26 N ATOM 128 NH2 ARG A 22 -0.176 -4.230 33.324 1.00 8.87 N ATOM 129 HE ARG A 22 -2.991 -5.681 33.978 1.00 0.00 H ATOM 130 HH12 ARG A 22 0.113 -6.647 32.662 1.00 0.00 H ATOM 131 HH11 ARG A 22 -1.548 -7.161 33.132 1.00 0.00 H ATOM 132 HH22 ARG A 22 0.763 -4.458 32.939 1.00 0.00 H ATOM 133 HH21 ARG A 22 -0.392 -3.259 33.627 1.00 0.00 H ATOM 134 H ARG A 22 -5.953 -0.961 33.195 1.00 0.00 H ATOM 135 N GLU A 23 -5.387 -1.499 30.093 1.00 17.44 N ATOM 136 CA GLU A 23 -6.004 -1.715 28.768 1.00 19.08 C ATOM 137 C GLU A 23 -5.018 -2.189 27.674 1.00 19.18 C ATOM 138 O GLU A 23 -5.435 -2.689 26.622 1.00 20.10 O ATOM 139 CB GLU A 23 -6.820 -0.492 28.321 1.00 19.62 C ATOM 140 CG GLU A 23 -6.057 0.814 28.267 1.00 18.94 C ATOM 141 CD GLU A 23 -6.962 2.005 28.505 1.00 19.33 C ATOM 142 OE1 GLU A 23 -7.189 2.356 29.681 1.00 20.54 O ATOM 143 OE2 GLU A 23 -7.447 2.591 27.521 1.00 20.55 O ATOM 144 H GLU A 23 -5.253 -0.532 30.452 1.00 0.00 H ATOM 145 N ASP A 24 -3.721 -2.039 27.944 1.00 17.92 N ATOM 146 CA ASP A 24 -2.665 -2.482 27.027 1.00 18.21 C ATOM 147 C ASP A 24 -1.955 -3.776 27.485 1.00 18.54 C ATOM 148 O ASP A 24 -0.830 -4.068 27.064 1.00 18.32 O ATOM 149 CB ASP A 24 -1.653 -1.347 26.822 1.00 16.34 C ATOM 150 CG ASP A 24 -2.149 -0.287 25.848 1.00 17.32 C ATOM 151 OD1 ASP A 24 -3.106 -0.560 25.095 1.00 18.42 O ATOM 152 OD2 ASP A 24 -1.576 0.829 25.824 1.00 15.88 O ATOM 153 H ASP A 24 -3.447 -1.590 28.841 1.00 0.00 H ATOM 154 N GLN A 25 -2.632 -4.545 28.332 1.00 19.45 N ATOM 155 CA GLN A 25 -2.073 -5.735 28.967 1.00 20.11 C ATOM 156 C GLN A 25 -1.562 -6.766 27.962 1.00 20.96 C ATOM 157 O GLN A 25 -0.397 -7.150 28.022 1.00 20.95 O ATOM 158 CB GLN A 25 -3.109 -6.348 29.917 1.00 21.75 C ATOM 159 CG GLN A 25 -2.667 -7.593 30.670 1.00 24.21 C ATOM 160 CD GLN A 25 -3.499 -7.855 31.923 1.00 28.42 C ATOM 161 OE1 GLN A 25 -4.504 -7.178 32.184 1.00 29.65 O ATOM 162 NE2 GLN A 25 -3.076 -8.845 32.711 1.00 29.33 N ATOM 163 HE22 GLN A 25 -2.227 -9.388 32.454 1.00 0.00 H ATOM 164 HE21 GLN A 25 -3.595 -9.074 33.583 1.00 0.00 H ATOM 165 H GLN A 25 -3.614 -4.285 28.555 1.00 0.00 H ATOM 166 N ALA A 26 -2.427 -7.194 27.044 1.00 21.81 N ATOM 167 CA ALA A 26 -2.073 -8.174 26.014 1.00 22.65 C ATOM 168 C ALA A 26 -0.801 -7.770 25.260 1.00 21.89 C ATOM 169 O ALA A 26 0.096 -8.589 25.043 1.00 22.31 O ATOM 170 CB ALA A 26 -3.231 -8.362 25.044 1.00 23.91 C ATOM 171 H ALA A 26 -3.396 -6.816 27.059 1.00 0.00 H ATOM 172 N LEU A 27 -0.737 -6.496 24.879 1.00 20.33 N ATOM 173 CA LEU A 27 0.415 -5.929 24.201 1.00 19.28 C ATOM 174 C LEU A 27 1.693 -5.985 25.061 1.00 18.26 C ATOM 175 O LEU A 27 2.776 -6.266 24.533 1.00 18.54 O ATOM 176 CB LEU A 27 0.099 -4.495 23.789 1.00 18.75 C ATOM 177 CG LEU A 27 1.173 -3.648 23.114 1.00 18.42 C ATOM 178 CD1 LEU A 27 1.284 -3.959 21.614 1.00 18.48 C ATOM 179 CD2 LEU A 27 0.848 -2.185 23.357 1.00 16.36 C ATOM 180 H LEU A 27 -1.550 -5.878 25.076 1.00 0.00 H ATOM 181 N TYR A 28 1.559 -5.734 26.368 1.00 16.53 N ATOM 182 CA TYR A 28 2.683 -5.856 27.316 1.00 15.63 C ATOM 183 C TYR A 28 3.221 -7.284 27.352 1.00 16.53 C ATOM 184 O TYR A 28 4.418 -7.492 27.474 1.00 16.26 O ATOM 185 CB TYR A 28 2.280 -5.456 28.742 1.00 14.34 C ATOM 186 CG TYR A 28 1.810 -4.017 28.913 1.00 13.50 C ATOM 187 CD1 TYR A 28 2.114 -3.031 27.969 1.00 13.19 C ATOM 188 CD2 TYR A 28 1.077 -3.643 30.045 1.00 13.01 C ATOM 189 CE1 TYR A 28 1.681 -1.709 28.143 1.00 10.73 C ATOM 190 CE2 TYR A 28 0.643 -2.329 30.225 1.00 11.56 C ATOM 191 CZ TYR A 28 0.943 -1.372 29.268 1.00 10.12 C ATOM 192 OH TYR A 28 0.506 -0.077 29.454 1.00 9.58 O ATOM 193 HH TYR A 28 0.798 0.481 28.690 1.00 0.00 H ATOM 194 H TYR A 28 0.628 -5.442 26.729 1.00 0.00 H ATOM 195 N ALA A 29 2.321 -8.252 27.264 1.00 17.80 N ATOM 196 CA ALA A 29 2.697 -9.671 27.170 1.00 19.65 C ATOM 197 C ALA A 29 3.504 -9.974 25.909 1.00 20.66 C ATOM 198 O ALA A 29 4.497 -10.704 25.964 1.00 21.72 O ATOM 199 CB ALA A 29 1.458 -10.551 27.237 1.00 21.15 C ATOM 200 H ALA A 29 1.312 -8.000 27.261 1.00 0.00 H ATOM 201 N ARG A 30 3.070 -9.421 24.775 1.00 20.89 N ATOM 202 CA ARG A 30 3.807 -9.531 23.512 1.00 21.69 C ATOM 203 C ARG A 30 5.194 -8.884 23.609 1.00 20.59 C ATOM 204 O ARG A 30 6.177 -9.439 23.127 1.00 21.25 O ATOM 205 CB ARG A 30 3.002 -8.919 22.359 1.00 21.88 C ATOM 206 CG ARG A 30 1.936 -9.855 21.797 1.00 25.23 C ATOM 207 CD ARG A 30 0.621 -9.128 21.536 1.00 26.90 C ATOM 208 NE ARG A 30 0.505 -8.577 20.189 1.00 28.28 N ATOM 209 CZ ARG A 30 -0.143 -7.449 19.895 1.00 28.87 C ATOM 210 NH1 ARG A 30 -0.714 -6.727 20.856 1.00 27.89 N ATOM 211 NH2 ARG A 30 -0.204 -7.029 18.638 1.00 29.80 N ATOM 212 HE ARG A 30 0.956 -9.097 19.409 1.00 0.00 H ATOM 213 HH12 ARG A 30 -1.217 -5.849 20.617 1.00 0.00 H ATOM 214 HH11 ARG A 30 -0.657 -7.041 21.846 1.00 0.00 H ATOM 215 HH22 ARG A 30 -0.709 -6.150 18.408 1.00 0.00 H ATOM 216 HH21 ARG A 30 0.253 -7.579 17.883 1.00 0.00 H ATOM 217 H ARG A 30 2.175 -8.892 24.787 1.00 0.00 H ATOM 218 N ILE A 31 5.259 -7.715 24.239 1.00 18.99 N ATOM 219 CA ILE A 31 6.518 -6.988 24.391 1.00 18.56 C ATOM 220 C ILE A 31 7.509 -7.784 25.241 1.00 19.03 C ATOM 221 O ILE A 31 8.652 -7.999 24.834 1.00 19.64 O ATOM 222 CB ILE A 31 6.303 -5.583 25.008 1.00 16.80 C ATOM 223 CG1 ILE A 31 5.428 -4.731 24.089 1.00 16.60 C ATOM 224 CG2 ILE A 31 7.651 -4.896 25.251 1.00 16.33 C ATOM 225 CD1 ILE A 31 5.041 -3.375 24.649 1.00 13.19 C ATOM 226 H ILE A 31 4.389 -7.306 24.635 1.00 0.00 H ATOM 227 N VAL A 32 7.052 -8.229 26.410 1.00 19.11 N ATOM 228 CA VAL A 32 7.894 -8.981 27.342 1.00 19.78 C ATOM 229 C VAL A 32 8.413 -10.264 26.702 1.00 21.73 C ATOM 230 O VAL A 32 9.603 -10.565 26.824 1.00 22.08 O ATOM 231 CB VAL A 32 7.165 -9.256 28.685 1.00 19.30 C ATOM 232 CG1 VAL A 32 7.958 -10.232 29.564 1.00 19.68 C ATOM 233 CG2 VAL A 32 6.933 -7.944 29.421 1.00 17.76 C ATOM 234 H VAL A 32 6.064 -8.036 26.670 1.00 0.00 H ATOM 235 N SER A 33 7.530 -10.990 26.006 1.00 23.57 N ATOM 236 CA SER A 33 7.896 -12.216 25.279 1.00 25.62 C ATOM 237 C SER A 33 9.011 -11.966 24.271 1.00 25.98 C ATOM 238 O SER A 33 9.956 -12.746 24.173 1.00 27.28 O ATOM 239 CB SER A 33 6.688 -12.818 24.545 1.00 27.29 C ATOM 240 OG SER A 33 5.702 -13.297 25.444 1.00 28.59 O ATOM 241 HG SER A 33 5.380 -12.550 26.008 1.00 0.00 H ATOM 242 H SER A 33 6.540 -10.673 25.978 1.00 0.00 H ATOM 243 N ARG A 34 8.887 -10.878 23.517 1.00 25.12 N ATOM 244 CA ARG A 34 9.894 -10.498 22.538 1.00 25.46 C ATOM 245 C ARG A 34 11.189 -10.034 23.218 1.00 24.73 C ATOM 246 O ARG A 34 12.287 -10.419 22.793 1.00 25.59 O ATOM 247 CB ARG A 34 9.350 -9.407 21.618 1.00 24.90 C ATOM 248 CG ARG A 34 10.033 -9.340 20.265 1.00 26.89 C ATOM 249 CD ARG A 34 9.700 -10.563 19.439 1.00 29.48 C ATOM 250 NE ARG A 34 10.253 -10.489 18.094 1.00 31.91 N ATOM 251 CZ ARG A 34 9.699 -11.058 17.029 1.00 34.58 C ATOM 252 NH1 ARG A 34 8.570 -11.752 17.145 1.00 35.66 N ATOM 253 NH2 ARG A 34 10.272 -10.937 15.844 1.00 35.87 N ATOM 254 HE ARG A 34 11.137 -9.958 17.959 1.00 0.00 H ATOM 255 HH12 ARG A 34 8.143 -12.194 16.306 1.00 0.00 H ATOM 256 HH11 ARG A 34 8.114 -11.852 18.075 1.00 0.00 H ATOM 257 HH22 ARG A 34 9.839 -11.382 15.009 1.00 0.00 H ATOM 258 HH21 ARG A 34 11.155 -10.397 15.746 1.00 0.00 H ATOM 259 H ARG A 34 8.044 -10.280 23.631 1.00 0.00 H ATOM 260 N LEU A 35 11.051 -9.225 24.272 1.00 23.12 N ATOM 261 CA LEU A 35 12.202 -8.716 25.040 1.00 22.80 C ATOM 262 C LEU A 35 13.072 -9.834 25.606 1.00 24.13 C ATOM 263 O LEU A 35 14.295 -9.705 25.665 1.00 24.65 O ATOM 264 CB LEU A 35 11.750 -7.788 26.171 1.00 20.85 C ATOM 265 CG LEU A 35 11.402 -6.345 25.786 1.00 20.15 C ATOM 266 CD1 LEU A 35 10.817 -5.579 26.969 1.00 17.77 C ATOM 267 CD2 LEU A 35 12.622 -5.629 25.235 1.00 19.93 C ATOM 268 H LEU A 35 10.093 -8.943 24.563 1.00 0.00 H ATOM 269 N ARG A 36 12.430 -10.927 26.011 1.00 25.11 N ATOM 270 CA ARG A 36 13.123 -12.129 26.487 1.00 27.17 C ATOM 271 C ARG A 36 14.236 -12.623 25.555 1.00 29.23 C ATOM 272 O ARG A 36 15.264 -13.119 26.022 1.00 30.34 O ATOM 273 CB ARG A 36 12.123 -13.263 26.723 1.00 27.87 C ATOM 274 CG ARG A 36 11.208 -13.049 27.903 1.00 26.93 C ATOM 275 CD ARG A 36 10.341 -14.262 28.160 1.00 28.59 C ATOM 276 NE ARG A 36 9.158 -13.919 28.941 1.00 27.38 N ATOM 277 CZ ARG A 36 9.162 -13.691 30.249 1.00 27.86 C ATOM 278 NH1 ARG A 36 8.036 -13.380 30.880 1.00 27.03 N ATOM 279 NH2 ARG A 36 10.295 -13.764 30.933 1.00 29.16 N ATOM 280 HE ARG A 36 8.250 -13.848 28.439 1.00 0.00 H ATOM 281 HH12 ARG A 36 8.046 -13.203 31.905 1.00 0.00 H ATOM 282 HH11 ARG A 36 7.144 -13.314 30.350 1.00 0.00 H ATOM 283 HH22 ARG A 36 10.296 -13.585 31.958 1.00 0.00 H ATOM 284 HH21 ARG A 36 11.183 -14.000 30.445 1.00 0.00 H ATOM 285 H ARG A 36 11.390 -10.929 25.989 1.00 0.00 H ATOM 286 N ARG A 37 14.030 -12.489 24.245 1.00 30.31 N ATOM 287 CA ARG A 37 15.021 -12.915 23.249 1.00 32.52 C ATOM 288 C ARG A 37 16.367 -12.186 23.362 1.00 32.44 C ATOM 289 O ARG A 37 17.373 -12.652 22.828 1.00 34.14 O ATOM 290 CB ARG A 37 14.460 -12.762 21.830 1.00 33.16 C ATOM 291 CG ARG A 37 13.463 -13.842 21.438 1.00 34.91 C ATOM 292 CD ARG A 37 12.657 -13.450 20.211 1.00 35.68 C ATOM 293 NE ARG A 37 11.834 -14.557 19.731 1.00 38.78 N ATOM 294 CZ ARG A 37 11.213 -14.588 18.556 1.00 40.19 C ATOM 295 NH1 ARG A 37 11.308 -13.567 17.716 1.00 40.43 N ATOM 296 NH2 ARG A 37 10.495 -15.648 18.217 1.00 42.18 N ATOM 297 HE ARG A 37 11.726 -15.382 20.355 1.00 0.00 H ATOM 298 HH12 ARG A 37 10.818 -13.601 16.799 1.00 0.00 H ATOM 299 HH11 ARG A 37 11.872 -12.732 17.974 1.00 0.00 H ATOM 300 HH22 ARG A 37 10.008 -15.674 17.298 1.00 0.00 H ATOM 301 HH21 ARG A 37 10.418 -16.454 18.870 1.00 0.00 H ATOM 302 H ARG A 37 13.137 -12.068 23.917 1.00 0.00 H ATOM 303 N TYR A 38 16.383 -11.063 24.075 1.00 30.77 N ATOM 304 CA TYR A 38 17.542 -10.169 24.094 1.00 30.68 C ATOM 305 C TYR A 38 18.160 -9.978 25.478 1.00 30.14 C ATOM 306 O TYR A 38 19.241 -9.398 25.610 1.00 30.48 O ATOM 307 CB TYR A 38 17.155 -8.827 23.469 1.00 29.51 C ATOM 308 CG TYR A 38 16.670 -8.983 22.045 1.00 30.29 C ATOM 309 CD1 TYR A 38 15.314 -9.138 21.762 1.00 29.77 C ATOM 310 CD2 TYR A 38 17.574 -9.007 20.983 1.00 31.69 C ATOM 311 CE1 TYR A 38 14.869 -9.297 20.450 1.00 31.43 C ATOM 312 CE2 TYR A 38 17.142 -9.162 19.671 1.00 32.82 C ATOM 313 CZ TYR A 38 15.792 -9.309 19.412 1.00 32.66 C ATOM 314 OH TYR A 38 15.363 -9.462 18.115 1.00 34.62 O ATOM 315 HH TYR A 38 14.377 -9.554 18.103 1.00 0.00 H ATOM 316 H TYR A 38 15.545 -10.812 24.637 1.00 0.00 H ATOM 317 N GLY A 39 17.470 -10.482 26.497 1.00 29.57 N ATOM 318 CA GLY A 39 17.937 -10.433 27.879 1.00 29.24 C ATOM 319 C GLY A 39 16.855 -10.935 28.814 1.00 28.61 C ATOM 320 O GLY A 39 15.744 -11.227 28.372 1.00 29.16 O ATOM 321 H GLY A 39 16.554 -10.933 26.300 1.00 0.00 H ATOM 322 N LYS A 40 17.168 -11.053 30.101 1.00 28.15 N ATOM 323 CA LYS A 40 16.149 -11.418 31.092 1.00 27.15 C ATOM 324 C LYS A 40 15.320 -10.204 31.510 1.00 24.91 C ATOM 325 O LYS A 40 15.862 -9.181 31.921 1.00 23.57 O ATOM 326 CB LYS A 40 16.766 -12.109 32.313 1.00 28.01 C ATOM 327 CG LYS A 40 17.841 -11.324 33.052 1.00 27.55 C ATOM 328 CD LYS A 40 18.383 -12.116 34.232 1.00 28.17 C ATOM 329 CE LYS A 40 19.645 -11.484 34.798 1.00 27.93 C ATOM 330 NZ LYS A 40 20.790 -11.581 33.849 1.00 28.99 N ATOM 331 HZ1 LYS A 40 20.989 -12.582 33.648 1.00 0.00 H ATOM 332 HZ2 LYS A 40 20.548 -11.090 32.965 1.00 0.00 H ATOM 333 HZ3 LYS A 40 21.630 -11.138 34.274 1.00 0.00 H ATOM 334 H LYS A 40 18.147 -10.885 30.409 1.00 0.00 H ATOM 335 N VAL A 41 14.002 -10.330 31.392 1.00 24.38 N ATOM 336 CA VAL A 41 13.087 -9.246 31.732 1.00 22.68 C ATOM 337 C VAL A 41 12.809 -9.294 33.234 1.00 22.41 C ATOM 338 O VAL A 41 12.119 -10.190 33.727 1.00 22.65 O ATOM 339 CB VAL A 41 11.782 -9.315 30.898 1.00 22.50 C ATOM 340 CG1 VAL A 41 10.889 -8.099 31.164 1.00 20.60 C ATOM 341 CG2 VAL A 41 12.115 -9.404 29.417 1.00 23.28 C ATOM 342 H VAL A 41 13.611 -11.230 31.046 1.00 0.00 H ATOM 343 N LEU A 42 13.366 -8.315 33.943 1.00 21.63 N ATOM 344 CA LEU A 42 13.313 -8.250 35.399 1.00 21.49 C ATOM 345 C LEU A 42 11.903 -8.024 35.945 1.00 20.69 C ATOM 346 O LEU A 42 11.566 -8.486 37.039 1.00 20.93 O ATOM 347 CB LEU A 42 14.243 -7.133 35.884 1.00 20.89 C ATOM 348 CG LEU A 42 15.692 -7.430 36.313 1.00 22.39 C ATOM 349 CD1 LEU A 42 16.327 -8.624 35.602 1.00 22.98 C ATOM 350 CD2 LEU A 42 16.562 -6.180 36.141 1.00 19.97 C ATOM 351 H LEU A 42 13.864 -7.558 33.433 1.00 0.00 H ATOM 352 N THR A 43 11.095 -7.303 35.179 1.00 19.96 N ATOM 353 CA THR A 43 9.781 -6.861 35.633 1.00 19.50 C ATOM 354 C THR A 43 8.660 -7.622 34.936 1.00 20.89 C ATOM 355 O THR A 43 7.772 -7.026 34.314 1.00 20.58 O ATOM 356 CB THR A 43 9.600 -5.359 35.402 1.00 18.25 C ATOM 357 OG1 THR A 43 10.053 -5.018 34.081 1.00 17.39 O ATOM 358 CG2 THR A 43 10.371 -4.564 36.444 1.00 17.30 C ATOM 359 HG1 THR A 43 9.935 -4.046 33.934 1.00 0.00 H ATOM 360 H THR A 43 11.409 -7.044 34.222 1.00 0.00 H ATOM 361 N GLU A 44 8.724 -8.945 35.071 1.00 22.70 N ATOM 362 CA GLU A 44 7.762 -9.891 34.519 1.00 24.56 C ATOM 363 C GLU A 44 6.303 -9.581 34.855 1.00 24.19 C ATOM 364 O GLU A 44 5.418 -9.846 34.040 1.00 24.63 O ATOM 365 CB GLU A 44 8.087 -11.289 35.043 1.00 25.94 C ATOM 366 CG GLU A 44 8.056 -12.354 33.994 1.00 29.47 C ATOM 367 CD GLU A 44 9.443 -12.767 33.566 1.00 31.49 C ATOM 368 OE1 GLU A 44 10.062 -13.596 34.255 1.00 32.52 O ATOM 369 OE2 GLU A 44 9.921 -12.263 32.533 1.00 32.97 O ATOM 370 H GLU A 44 9.522 -9.334 35.612 1.00 0.00 H ATOM 371 N HIS A 45 6.069 -9.036 36.053 1.00 23.70 N ATOM 372 CA HIS A 45 4.719 -8.778 36.590 1.00 23.98 C ATOM 373 C HIS A 45 3.838 -7.912 35.698 1.00 23.20 C ATOM 374 O HIS A 45 2.612 -8.018 35.751 1.00 23.70 O ATOM 375 CB HIS A 45 4.785 -8.094 37.965 1.00 23.31 C ATOM 376 CG HIS A 45 5.363 -8.944 39.054 1.00 25.13 C ATOM 377 ND1 HIS A 45 6.566 -8.655 39.664 1.00 24.65 N ATOM 378 CD2 HIS A 45 4.892 -10.058 39.663 1.00 26.39 C ATOM 379 CE1 HIS A 45 6.816 -9.557 40.594 1.00 25.26 C ATOM 380 NE2 HIS A 45 5.818 -10.423 40.611 1.00 27.46 N ATOM 381 H HIS A 45 6.887 -8.779 36.641 1.00 0.00 H ATOM 382 N VAL A 46 4.458 -7.044 34.903 1.00 22.43 N ATOM 383 CA VAL A 46 3.711 -6.103 34.053 1.00 21.98 C ATOM 384 C VAL A 46 2.829 -6.806 33.021 1.00 23.13 C ATOM 385 O VAL A 46 1.712 -6.365 32.758 1.00 23.31 O ATOM 386 CB VAL A 46 4.635 -5.075 33.368 1.00 20.97 C ATOM 387 CG1 VAL A 46 3.841 -4.178 32.429 1.00 20.47 C ATOM 388 CG2 VAL A 46 5.307 -4.228 34.405 1.00 19.44 C ATOM 389 H VAL A 46 5.498 -7.030 34.882 1.00 0.00 H ATOM 390 N ALA A 47 3.327 -7.901 32.457 1.00 24.31 N ATOM 391 CA ALA A 47 2.570 -8.675 31.478 1.00 25.75 C ATOM 392 C ALA A 47 1.353 -9.350 32.119 1.00 27.08 C ATOM 393 O ALA A 47 0.252 -9.342 31.550 1.00 27.51 O ATOM 394 CB ALA A 47 3.475 -9.717 30.820 1.00 26.70 C ATOM 395 H ALA A 47 4.283 -8.215 32.720 1.00 0.00 H ATOM 396 N ASP A 48 1.567 -9.918 33.306 1.00 27.48 N ATOM 397 CA ASP A 48 0.570 -10.739 34.003 1.00 29.21 C ATOM 398 C ASP A 48 -0.607 -9.923 34.536 1.00 28.99 C ATOM 399 O ASP A 48 -1.573 -10.474 35.064 1.00 30.04 O ATOM 400 CB ASP A 48 1.242 -11.504 35.151 1.00 29.63 C ATOM 401 CG ASP A 48 2.420 -12.343 34.680 1.00 30.87 C ATOM 402 OD1 ASP A 48 2.233 -13.180 33.766 1.00 31.21 O ATOM 403 OD2 ASP A 48 3.536 -12.159 35.216 1.00 31.11 O ATOM 404 H ASP A 48 2.490 -9.771 33.762 1.00 0.00 H TER 405 ASP A 48 ATOM 406 N ALA A 59 -1.712 -0.738 50.198 1.00 23.27 N ATOM 407 CA ALA A 59 -1.853 -1.817 51.164 1.00 24.42 C ATOM 408 C ALA A 59 -0.962 -1.580 52.384 1.00 24.39 C ATOM 409 O ALA A 59 -1.419 -1.646 53.536 1.00 25.69 O ATOM 410 CB ALA A 59 -1.524 -3.153 50.506 1.00 24.44 C ATOM 411 HN3 ALA A 59 -0.722 -0.683 49.883 1.00 0.00 H ATOM 412 HN2 ALA A 59 -1.986 0.161 50.642 1.00 0.00 H ATOM 413 HN1 ALA A 59 -2.327 -0.924 49.380 1.00 0.00 H ATOM 414 N GLY A 60 0.299 -1.267 52.099 1.00 22.75 N ATOM 415 CA GLY A 60 1.375 -1.211 53.079 1.00 22.54 C ATOM 416 C GLY A 60 2.578 -1.918 52.481 1.00 21.21 C ATOM 417 O GLY A 60 3.717 -1.690 52.888 1.00 21.30 O ATOM 418 H GLY A 60 0.532 -1.047 51.110 1.00 0.00 H ATOM 419 N GLY A 61 2.315 -2.772 51.495 1.00 20.38 N ATOM 420 CA GLY A 61 3.370 -3.519 50.816 1.00 18.74 C ATOM 421 C GLY A 61 4.003 -2.783 49.656 1.00 16.58 C ATOM 422 O GLY A 61 4.914 -3.310 49.013 1.00 15.98 O ATOM 423 H GLY A 61 1.328 -2.912 51.199 1.00 0.00 H ATOM 424 N ASP A 62 3.523 -1.570 49.371 1.00 15.29 N ATOM 425 CA ASP A 62 4.076 -0.758 48.278 1.00 13.85 C ATOM 426 C ASP A 62 5.536 -0.389 48.509 1.00 13.08 C ATOM 427 O ASP A 62 6.301 -0.239 47.556 1.00 11.42 O ATOM 428 CB ASP A 62 3.250 0.515 48.055 1.00 13.59 C ATOM 429 CG ASP A 62 1.900 0.232 47.409 1.00 14.82 C ATOM 430 OD1 ASP A 62 1.070 1.165 47.368 1.00 15.63 O ATOM 431 OD2 ASP A 62 1.666 -0.918 46.960 1.00 15.08 O ATOM 432 H ASP A 62 2.738 -1.190 49.937 1.00 0.00 H ATOM 433 N GLN A 63 5.892 -0.217 49.782 1.00 13.00 N ATOM 434 CA GLN A 63 7.276 -0.032 50.214 1.00 12.82 C ATOM 435 C GLN A 63 8.222 -1.096 49.668 1.00 12.12 C ATOM 436 O GLN A 63 9.312 -0.775 49.189 1.00 12.09 O ATOM 437 CB GLN A 63 7.342 -0.041 51.741 1.00 14.08 C ATOM 438 CG GLN A 63 6.849 1.250 52.381 1.00 14.54 C ATOM 439 CD GLN A 63 7.872 2.357 52.303 1.00 14.37 C ATOM 440 OE1 GLN A 63 9.079 2.104 52.267 1.00 14.75 O ATOM 441 NE2 GLN A 63 7.399 3.594 52.287 1.00 13.73 N ATOM 442 HE22 GLN A 63 6.373 3.759 52.319 1.00 0.00 H ATOM 443 HE21 GLN A 63 8.054 4.401 52.242 1.00 0.00 H ATOM 444 H GLN A 63 5.145 -0.214 50.506 1.00 0.00 H ATOM 445 N PHE A 64 7.798 -2.353 49.754 1.00 11.99 N ATOM 446 CA PHE A 64 8.575 -3.485 49.277 1.00 11.69 C ATOM 447 C PHE A 64 8.755 -3.418 47.766 1.00 10.42 C ATOM 448 O PHE A 64 9.852 -3.655 47.264 1.00 10.02 O ATOM 449 CB PHE A 64 7.874 -4.797 49.664 1.00 12.77 C ATOM 450 CG PHE A 64 8.622 -6.048 49.251 1.00 12.50 C ATOM 451 CD1 PHE A 64 9.448 -6.709 50.160 1.00 13.92 C ATOM 452 CD2 PHE A 64 8.478 -6.577 47.970 1.00 11.93 C ATOM 453 CE1 PHE A 64 10.140 -7.873 49.795 1.00 14.03 C ATOM 454 CE2 PHE A 64 9.163 -7.742 47.593 1.00 12.88 C ATOM 455 CZ PHE A 64 9.990 -8.388 48.504 1.00 13.82 C ATOM 456 H PHE A 64 6.868 -2.535 50.182 1.00 0.00 H ATOM 457 N ILE A 65 7.666 -3.117 47.058 1.00 9.67 N ATOM 458 CA ILE A 65 7.671 -3.064 45.596 1.00 9.15 C ATOM 459 C ILE A 65 8.674 -2.022 45.114 1.00 8.65 C ATOM 460 O ILE A 65 9.508 -2.322 44.261 1.00 9.34 O ATOM 461 CB ILE A 65 6.253 -2.804 45.015 1.00 8.83 C ATOM 462 CG1 ILE A 65 5.374 -4.050 45.184 1.00 10.02 C ATOM 463 CG2 ILE A 65 6.331 -2.372 43.530 1.00 8.04 C ATOM 464 CD1 ILE A 65 3.866 -3.779 45.115 1.00 10.14 C ATOM 465 H ILE A 65 6.781 -2.912 47.564 1.00 0.00 H ATOM 466 N HIS A 66 8.622 -0.818 45.691 1.00 7.96 N ATOM 467 CA HIS A 66 9.500 0.275 45.256 1.00 7.89 C ATOM 468 C HIS A 66 10.965 -0.113 45.446 1.00 8.23 C ATOM 469 O HIS A 66 11.771 0.080 44.544 1.00 8.42 O ATOM 470 CB HIS A 66 9.188 1.573 46.001 1.00 7.33 C ATOM 471 CG HIS A 66 10.170 2.676 45.726 1.00 7.84 C ATOM 472 ND1 HIS A 66 11.385 2.770 46.375 1.00 8.10 N ATOM 473 CD2 HIS A 66 10.129 3.709 44.852 1.00 5.09 C ATOM 474 CE1 HIS A 66 12.044 3.822 45.920 1.00 8.89 C ATOM 475 NE2 HIS A 66 11.299 4.413 45.000 1.00 7.63 N ATOM 476 H HIS A 66 7.946 -0.652 46.464 1.00 0.00 H ATOM 477 N GLU A 67 11.284 -0.663 46.618 1.00 9.27 N ATOM 478 CA GLU A 67 12.624 -1.182 46.914 1.00 10.13 C ATOM 479 C GLU A 67 13.051 -2.274 45.914 1.00 10.77 C ATOM 480 O GLU A 67 14.128 -2.177 45.313 1.00 10.78 O ATOM 481 CB GLU A 67 12.699 -1.678 48.367 1.00 11.25 C ATOM 482 CG GLU A 67 14.081 -2.133 48.837 1.00 11.11 C ATOM 483 CD GLU A 67 14.030 -2.910 50.144 1.00 11.14 C ATOM 484 OE1 GLU A 67 14.231 -4.137 50.118 1.00 11.68 O ATOM 485 OE2 GLU A 67 13.779 -2.304 51.200 1.00 10.72 O ATOM 486 H GLU A 67 10.552 -0.727 47.354 1.00 0.00 H ATOM 487 N GLN A 68 12.218 -3.308 45.758 1.00 11.34 N ATOM 488 CA GLN A 68 12.448 -4.383 44.779 1.00 11.70 C ATOM 489 C GLN A 68 12.707 -3.870 43.350 1.00 11.37 C ATOM 490 O GLN A 68 13.668 -4.305 42.694 1.00 11.23 O ATOM 491 CB GLN A 68 11.321 -5.424 44.785 1.00 12.57 C ATOM 492 CG GLN A 68 11.710 -6.738 44.097 1.00 13.27 C ATOM 493 CD GLN A 68 10.804 -7.892 44.469 1.00 14.26 C ATOM 494 OE1 GLN A 68 11.209 -8.804 45.196 1.00 14.76 O ATOM 495 NE2 GLN A 68 9.567 -7.857 43.980 1.00 13.66 N ATOM 496 HE22 GLN A 68 9.271 -7.068 43.371 1.00 0.00 H ATOM 497 HE21 GLN A 68 8.897 -8.619 44.207 1.00 0.00 H ATOM 498 H GLN A 68 11.368 -3.355 46.356 1.00 0.00 H ATOM 499 N ASN A 69 11.859 -2.950 42.884 1.00 10.49 N ATOM 500 CA ASN A 69 11.957 -2.422 41.518 1.00 10.50 C ATOM 501 C ASN A 69 13.146 -1.480 41.289 1.00 10.46 C ATOM 502 O ASN A 69 13.735 -1.493 40.212 1.00 10.42 O ATOM 503 CB ASN A 69 10.625 -1.811 41.051 1.00 9.52 C ATOM 504 CG ASN A 69 9.594 -2.876 40.680 1.00 10.18 C ATOM 505 OD1 ASN A 69 9.288 -3.765 41.479 1.00 11.55 O ATOM 506 ND2 ASN A 69 9.081 -2.807 39.462 1.00 12.10 N ATOM 507 HD22 ASN A 69 9.367 -2.040 38.820 1.00 0.00 H ATOM 508 HD21 ASN A 69 8.392 -3.519 39.147 1.00 0.00 H ATOM 509 H ASN A 69 11.106 -2.597 43.508 1.00 0.00 H ATOM 510 N LEU A 70 13.503 -0.676 42.291 1.00 10.98 N ATOM 511 CA LEU A 70 14.700 0.163 42.189 1.00 11.16 C ATOM 512 C LEU A 70 15.944 -0.717 42.112 1.00 12.37 C ATOM 513 O LEU A 70 16.856 -0.447 41.321 1.00 12.58 O ATOM 514 CB LEU A 70 14.832 1.122 43.374 1.00 11.70 C ATOM 515 CG LEU A 70 15.346 2.557 43.160 1.00 11.84 C ATOM 516 CD1 LEU A 70 16.168 2.996 44.357 1.00 12.95 C ATOM 517 CD2 LEU A 70 16.144 2.804 41.884 1.00 12.53 C ATOM 518 H LEU A 70 12.925 -0.644 43.155 1.00 0.00 H ATOM 519 N ASN A 71 15.981 -1.767 42.934 1.00 12.77 N ATOM 520 CA ASN A 71 17.068 -2.753 42.854 1.00 14.22 C ATOM 521 C ASN A 71 17.213 -3.311 41.439 1.00 14.01 C ATOM 522 O ASN A 71 18.319 -3.382 40.906 1.00 13.94 O ATOM 523 CB ASN A 71 16.871 -3.884 43.858 1.00 15.20 C ATOM 524 CG ASN A 71 17.635 -3.657 45.147 1.00 17.53 C ATOM 525 OD1 ASN A 71 18.579 -4.386 45.453 1.00 21.73 O ATOM 526 ND2 ASN A 71 17.252 -2.627 45.893 1.00 17.24 N ATOM 527 HD22 ASN A 71 16.448 -2.039 45.594 1.00 0.00 H ATOM 528 HD21 ASN A 71 17.756 -2.409 46.776 1.00 0.00 H ATOM 529 H ASN A 71 15.229 -1.890 43.642 1.00 0.00 H ATOM 530 N TRP A 72 16.086 -3.680 40.830 1.00 13.42 N ATOM 531 CA TRP A 72 16.082 -4.181 39.451 1.00 13.61 C ATOM 532 C TRP A 72 16.566 -3.129 38.474 1.00 13.44 C ATOM 533 O TRP A 72 17.338 -3.430 37.561 1.00 14.57 O ATOM 534 CB TRP A 72 14.698 -4.696 39.056 1.00 13.04 C ATOM 535 CG TRP A 72 14.375 -6.033 39.666 1.00 13.41 C ATOM 536 CD1 TRP A 72 15.264 -6.991 40.060 1.00 15.68 C ATOM 537 CD2 TRP A 72 13.072 -6.565 39.925 1.00 14.28 C ATOM 538 NE1 TRP A 72 14.595 -8.089 40.557 1.00 17.16 N ATOM 539 CE2 TRP A 72 13.248 -7.855 40.480 1.00 16.10 C ATOM 540 CE3 TRP A 72 11.772 -6.084 39.735 1.00 14.12 C ATOM 541 CZ2 TRP A 72 12.168 -8.664 40.855 1.00 17.49 C ATOM 542 CZ3 TRP A 72 10.700 -6.892 40.099 1.00 14.23 C ATOM 543 CH2 TRP A 72 10.905 -8.164 40.661 1.00 15.77 C ATOM 544 HE1 TRP A 72 15.040 -8.952 40.929 1.00 0.00 H ATOM 545 H TRP A 72 15.186 -3.611 41.346 1.00 0.00 H ATOM 546 N LEU A 73 16.135 -1.891 38.693 1.00 12.97 N ATOM 547 CA LEU A 73 16.525 -0.770 37.842 1.00 13.38 C ATOM 548 C LEU A 73 18.032 -0.484 37.903 1.00 14.27 C ATOM 549 O LEU A 73 18.668 -0.281 36.870 1.00 14.64 O ATOM 550 CB LEU A 73 15.706 0.471 38.191 1.00 12.12 C ATOM 551 CG LEU A 73 15.618 1.589 37.151 1.00 12.84 C ATOM 552 CD1 LEU A 73 15.340 1.026 35.755 1.00 12.76 C ATOM 553 CD2 LEU A 73 14.520 2.562 37.556 1.00 11.59 C ATOM 554 H LEU A 73 15.499 -1.715 39.497 1.00 0.00 H ATOM 555 N GLN A 74 18.610 -0.487 39.106 1.00 15.29 N ATOM 556 CA GLN A 74 20.067 -0.297 39.247 1.00 16.50 C ATOM 557 C GLN A 74 20.866 -1.386 38.515 1.00 17.44 C ATOM 558 O GLN A 74 21.920 -1.109 37.938 1.00 18.36 O ATOM 559 CB GLN A 74 20.466 -0.239 40.728 1.00 17.44 C ATOM 560 CG GLN A 74 19.819 0.913 41.485 1.00 17.96 C ATOM 561 CD GLN A 74 19.872 0.754 42.991 1.00 20.01 C ATOM 562 OE1 GLN A 74 19.505 1.671 43.730 1.00 20.89 O ATOM 563 NE2 GLN A 74 20.329 -0.403 43.458 1.00 20.14 N ATOM 564 HE22 GLN A 74 20.628 -1.149 42.798 1.00 0.00 H ATOM 565 HE21 GLN A 74 20.388 -0.563 44.484 1.00 0.00 H ATOM 566 H GLN A 74 18.026 -0.625 39.955 1.00 0.00 H ATOM 567 N GLN A 75 20.350 -2.615 38.542 1.00 17.55 N ATOM 568 CA GLN A 75 20.972 -3.779 37.891 1.00 18.91 C ATOM 569 C GLN A 75 20.799 -3.806 36.365 1.00 18.37 C ATOM 570 O GLN A 75 21.682 -4.274 35.653 1.00 19.34 O ATOM 571 CB GLN A 75 20.399 -5.081 38.460 1.00 19.43 C ATOM 572 CG GLN A 75 20.820 -5.420 39.882 1.00 21.87 C ATOM 573 CD GLN A 75 20.475 -6.856 40.269 1.00 25.15 C ATOM 574 OE1 GLN A 75 19.329 -7.301 40.122 1.00 24.70 O ATOM 575 NE2 GLN A 75 21.473 -7.588 40.771 1.00 26.42 N ATOM 576 HE22 GLN A 75 22.421 -7.173 40.877 1.00 0.00 H ATOM 577 HE21 GLN A 75 21.303 -8.573 41.056 1.00 0.00 H ATOM 578 H GLN A 75 19.456 -2.760 39.053 1.00 0.00 H ATOM 579 N ALA A 76 19.659 -3.315 35.880 1.00 16.65 N ATOM 580 CA ALA A 76 19.291 -3.386 34.451 1.00 16.32 C ATOM 581 C ALA A 76 20.356 -2.830 33.498 1.00 16.57 C ATOM 582 O ALA A 76 21.024 -1.853 33.808 1.00 16.42 O ATOM 583 CB ALA A 76 17.957 -2.676 34.213 1.00 14.84 C ATOM 584 H ALA A 76 18.996 -2.860 36.540 1.00 0.00 H ATOM 585 N ASP A 77 20.504 -3.459 32.337 1.00 17.25 N ATOM 586 CA ASP A 77 21.418 -2.960 31.300 1.00 17.69 C ATOM 587 C ASP A 77 20.707 -1.972 30.379 1.00 16.42 C ATOM 588 O ASP A 77 21.331 -1.083 29.812 1.00 15.91 O ATOM 589 CB ASP A 77 21.983 -4.117 30.476 1.00 19.56 C ATOM 590 CG ASP A 77 22.899 -5.031 31.282 1.00 21.43 C ATOM 591 OD1 ASP A 77 23.685 -4.528 32.111 1.00 22.88 O ATOM 592 OD2 ASP A 77 22.842 -6.261 31.070 1.00 22.14 O ATOM 593 H ASP A 77 19.959 -4.327 32.158 1.00 0.00 H ATOM 594 N VAL A 78 19.394 -2.149 30.239 1.00 15.15 N ATOM 595 CA VAL A 78 18.570 -1.351 29.333 1.00 14.38 C ATOM 596 C VAL A 78 17.158 -1.239 29.907 1.00 12.96 C ATOM 597 O VAL A 78 16.649 -2.176 30.531 1.00 12.80 O ATOM 598 CB VAL A 78 18.557 -1.948 27.892 1.00 15.69 C ATOM 599 CG1 VAL A 78 17.863 -3.310 27.853 1.00 16.47 C ATOM 600 CG2 VAL A 78 17.948 -0.977 26.869 1.00 15.28 C ATOM 601 H VAL A 78 18.933 -2.892 30.802 1.00 0.00 H ATOM 602 N VAL A 79 16.549 -0.076 29.719 1.00 12.07 N ATOM 603 CA VAL A 79 15.185 0.174 30.166 1.00 11.05 C ATOM 604 C VAL A 79 14.320 0.329 28.930 1.00 11.00 C ATOM 605 O VAL A 79 14.631 1.146 28.071 1.00 11.17 O ATOM 606 CB VAL A 79 15.106 1.459 31.031 1.00 10.39 C ATOM 607 CG1 VAL A 79 13.652 1.800 31.432 1.00 9.45 C ATOM 608 CG2 VAL A 79 15.974 1.315 32.249 1.00 10.38 C ATOM 609 H VAL A 79 17.064 0.686 29.234 1.00 0.00 H ATOM 610 N VAL A 80 13.253 -0.467 28.846 1.00 10.74 N ATOM 611 CA VAL A 80 12.239 -0.340 27.794 1.00 11.02 C ATOM 612 C VAL A 80 10.885 0.025 28.416 1.00 10.15 C ATOM 613 O VAL A 80 10.496 -0.511 29.451 1.00 9.57 O ATOM 614 CB VAL A 80 12.119 -1.638 26.942 1.00 11.86 C ATOM 615 CG1 VAL A 80 11.105 -1.474 25.817 1.00 12.09 C ATOM 616 CG2 VAL A 80 13.483 -2.039 26.380 1.00 13.36 C ATOM 617 H VAL A 80 13.134 -1.213 29.561 1.00 0.00 H ATOM 618 N ALA A 81 10.183 0.959 27.789 1.00 10.20 N ATOM 619 CA ALA A 81 8.894 1.411 28.315 1.00 9.71 C ATOM 620 C ALA A 81 7.886 1.574 27.208 1.00 9.71 C ATOM 621 O ALA A 81 8.189 2.166 26.176 1.00 11.04 O ATOM 622 CB ALA A 81 9.053 2.697 29.041 1.00 9.46 C ATOM 623 H ALA A 81 10.553 1.376 26.911 1.00 0.00 H ATOM 624 N GLU A 82 6.695 1.026 27.409 1.00 9.23 N ATOM 625 CA GLU A 82 5.594 1.308 26.501 1.00 8.92 C ATOM 626 C GLU A 82 4.837 2.409 27.205 1.00 8.45 C ATOM 627 O GLU A 82 4.326 2.199 28.303 1.00 8.46 O ATOM 628 CB GLU A 82 4.724 0.070 26.259 1.00 8.84 C ATOM 629 CG GLU A 82 4.084 0.025 24.867 1.00 9.06 C ATOM 630 CD GLU A 82 2.884 0.950 24.734 1.00 8.71 C ATOM 631 OE1 GLU A 82 2.413 1.191 23.589 1.00 10.67 O ATOM 632 OE2 GLU A 82 2.415 1.429 25.782 1.00 9.03 O ATOM 633 H GLU A 82 6.548 0.392 28.220 1.00 0.00 H ATOM 634 N VAL A 83 4.817 3.591 26.585 1.00 8.45 N ATOM 635 CA VAL A 83 4.348 4.826 27.227 1.00 7.84 C ATOM 636 C VAL A 83 3.003 5.351 26.714 1.00 8.37 C ATOM 637 O VAL A 83 2.656 6.506 26.969 1.00 9.03 O ATOM 638 CB VAL A 83 5.405 5.985 27.076 1.00 7.42 C ATOM 639 CG1 VAL A 83 6.560 5.789 28.021 1.00 5.53 C ATOM 640 CG2 VAL A 83 5.911 6.078 25.638 1.00 7.99 C ATOM 641 H VAL A 83 5.149 3.640 25.601 1.00 0.00 H ATOM 642 N THR A 84 2.242 4.515 26.016 1.00 8.96 N ATOM 643 CA THR A 84 0.948 4.923 25.467 1.00 9.98 C ATOM 644 C THR A 84 -0.105 5.192 26.558 1.00 10.38 C ATOM 645 O THR A 84 -0.793 6.211 26.500 1.00 11.61 O ATOM 646 CB THR A 84 0.419 3.887 24.439 1.00 11.05 C ATOM 647 OG1 THR A 84 1.459 3.570 23.510 1.00 10.36 O ATOM 648 CG2 THR A 84 -0.794 4.428 23.673 1.00 11.13 C ATOM 649 HG1 THR A 84 2.231 3.189 23.998 1.00 0.00 H ATOM 650 H THR A 84 2.575 3.543 25.855 1.00 0.00 H ATOM 651 N GLN A 85 -0.232 4.287 27.528 1.00 9.70 N ATOM 652 CA GLN A 85 -1.113 4.490 28.681 1.00 9.84 C ATOM 653 C GLN A 85 -0.420 5.349 29.746 1.00 8.78 C ATOM 654 O GLN A 85 0.608 4.925 30.285 1.00 8.00 O ATOM 655 CB GLN A 85 -1.516 3.142 29.299 1.00 10.19 C ATOM 656 CG GLN A 85 -2.523 3.244 30.461 1.00 11.29 C ATOM 657 CD GLN A 85 -3.939 3.559 30.004 1.00 13.55 C ATOM 658 OE1 GLN A 85 -4.832 3.787 30.820 1.00 16.02 O ATOM 659 NE2 GLN A 85 -4.150 3.564 28.692 1.00 13.07 N ATOM 660 HE22 GLN A 85 -3.366 3.366 28.038 1.00 0.00 H ATOM 661 HE21 GLN A 85 -5.099 3.766 28.319 1.00 0.00 H ATOM 662 H GLN A 85 0.314 3.404 27.464 1.00 0.00 H ATOM 663 N PRO A 86 -0.987 6.541 30.072 1.00 8.59 N ATOM 664 CA PRO A 86 -0.370 7.393 31.094 1.00 7.95 C ATOM 665 C PRO A 86 -0.318 6.714 32.458 1.00 7.40 C ATOM 666 O PRO A 86 -1.309 6.129 32.909 1.00 8.40 O ATOM 667 CB PRO A 86 -1.274 8.635 31.118 1.00 8.53 C ATOM 668 CG PRO A 86 -1.875 8.678 29.725 1.00 9.36 C ATOM 669 CD PRO A 86 -2.131 7.220 29.427 1.00 9.22 C ATOM 670 N SER A 87 0.851 6.786 33.087 1.00 5.93 N ATOM 671 CA SER A 87 1.131 6.056 34.300 1.00 5.67 C ATOM 672 C SER A 87 2.173 6.751 35.173 1.00 4.81 C ATOM 673 O SER A 87 3.286 7.061 34.718 1.00 4.80 O ATOM 674 CB SER A 87 1.629 4.650 33.945 1.00 4.83 C ATOM 675 OG SER A 87 2.257 4.088 35.086 1.00 5.65 O ATOM 676 HG SER A 87 1.604 4.036 35.829 1.00 0.00 H ATOM 677 H SER A 87 1.595 7.394 32.688 1.00 0.00 H ATOM 678 N LEU A 88 1.814 6.997 36.425 1.00 4.93 N ATOM 679 CA LEU A 88 2.773 7.522 37.405 1.00 4.50 C ATOM 680 C LEU A 88 4.020 6.653 37.513 1.00 4.05 C ATOM 681 O LEU A 88 5.138 7.144 37.405 1.00 3.79 O ATOM 682 CB LEU A 88 2.109 7.642 38.770 1.00 5.08 C ATOM 683 CG LEU A 88 1.556 9.003 39.243 1.00 7.07 C ATOM 684 CD1 LEU A 88 1.495 10.094 38.180 1.00 8.39 C ATOM 685 CD2 LEU A 88 0.212 8.811 39.913 1.00 5.53 C ATOM 686 H LEU A 88 0.833 6.814 36.719 1.00 0.00 H ATOM 687 N GLY A 89 3.823 5.355 37.725 1.00 3.94 N ATOM 688 CA GLY A 89 4.951 4.444 37.962 1.00 3.64 C ATOM 689 C GLY A 89 5.941 4.387 36.815 1.00 3.30 C ATOM 690 O GLY A 89 7.150 4.431 37.028 1.00 3.21 O ATOM 691 H GLY A 89 2.854 4.978 37.723 1.00 0.00 H ATOM 692 N VAL A 90 5.415 4.287 35.601 1.00 3.42 N ATOM 693 CA VAL A 90 6.202 4.285 34.376 1.00 3.44 C ATOM 694 C VAL A 90 7.034 5.559 34.244 1.00 3.47 C ATOM 695 O VAL A 90 8.226 5.497 33.932 1.00 3.38 O ATOM 696 CB VAL A 90 5.294 4.099 33.140 1.00 3.75 C ATOM 697 CG1 VAL A 90 6.043 4.414 31.823 1.00 4.91 C ATOM 698 CG2 VAL A 90 4.716 2.687 33.120 1.00 4.23 C ATOM 699 H VAL A 90 4.381 4.205 35.520 1.00 0.00 H ATOM 700 N GLY A 91 6.406 6.711 34.456 1.00 3.35 N ATOM 701 CA GLY A 91 7.136 7.978 34.411 1.00 3.45 C ATOM 702 C GLY A 91 8.218 8.037 35.473 1.00 3.43 C ATOM 703 O GLY A 91 9.322 8.572 35.248 1.00 3.68 O ATOM 704 H GLY A 91 5.385 6.712 34.656 1.00 0.00 H ATOM 705 N TYR A 92 7.908 7.478 36.638 1.00 3.54 N ATOM 706 CA TYR A 92 8.850 7.487 37.746 1.00 3.88 C ATOM 707 C TYR A 92 10.062 6.613 37.463 1.00 3.55 C ATOM 708 O TYR A 92 11.194 7.027 37.689 1.00 4.15 O ATOM 709 CB TYR A 92 8.143 7.058 39.023 1.00 3.34 C ATOM 710 CG TYR A 92 9.032 6.965 40.226 1.00 3.97 C ATOM 711 CD1 TYR A 92 9.367 8.105 40.962 1.00 3.79 C ATOM 712 CD2 TYR A 92 9.516 5.727 40.658 1.00 3.55 C ATOM 713 CE1 TYR A 92 10.177 8.011 42.097 1.00 4.55 C ATOM 714 CE2 TYR A 92 10.324 5.628 41.798 1.00 3.96 C ATOM 715 CZ TYR A 92 10.650 6.765 42.504 1.00 5.89 C ATOM 716 OH TYR A 92 11.469 6.668 43.620 1.00 8.12 O ATOM 717 HH TYR A 92 11.042 6.079 44.291 1.00 0.00 H ATOM 718 H TYR A 92 6.978 7.028 36.759 1.00 0.00 H ATOM 719 N GLU A 93 9.810 5.398 36.980 1.00 4.08 N ATOM 720 CA GLU A 93 10.865 4.502 36.527 1.00 4.49 C ATOM 721 C GLU A 93 11.763 5.164 35.474 1.00 4.59 C ATOM 722 O GLU A 93 12.993 5.124 35.584 1.00 4.48 O ATOM 723 CB GLU A 93 10.241 3.196 36.002 1.00 4.26 C ATOM 724 CG GLU A 93 9.506 2.436 37.101 1.00 5.59 C ATOM 725 CD GLU A 93 8.648 1.283 36.615 1.00 9.84 C ATOM 726 OE1 GLU A 93 8.553 0.305 37.382 1.00 11.52 O ATOM 727 OE2 GLU A 93 8.060 1.353 35.502 1.00 10.08 O ATOM 728 H GLU A 93 8.822 5.077 36.924 1.00 0.00 H ATOM 729 N LEU A 94 11.144 5.770 34.458 1.00 4.40 N ATOM 730 CA LEU A 94 11.892 6.505 33.422 1.00 4.79 C ATOM 731 C LEU A 94 12.744 7.633 34.036 1.00 5.33 C ATOM 732 O LEU A 94 13.919 7.817 33.672 1.00 6.12 O ATOM 733 CB LEU A 94 10.930 7.031 32.346 1.00 4.45 C ATOM 734 CG LEU A 94 10.636 6.184 31.094 1.00 5.64 C ATOM 735 CD1 LEU A 94 10.865 4.688 31.275 1.00 6.48 C ATOM 736 CD2 LEU A 94 9.253 6.451 30.532 1.00 4.59 C ATOM 737 H LEU A 94 10.107 5.722 34.396 1.00 0.00 H ATOM 738 N GLY A 95 12.167 8.359 34.990 1.00 5.03 N ATOM 739 CA GLY A 95 12.877 9.433 35.686 1.00 5.30 C ATOM 740 C GLY A 95 14.108 8.942 36.438 1.00 5.59 C ATOM 741 O GLY A 95 15.201 9.520 36.303 1.00 6.28 O ATOM 742 H GLY A 95 11.180 8.157 35.249 1.00 0.00 H ATOM 743 N ARG A 96 13.941 7.855 37.195 1.00 5.15 N ATOM 744 CA ARG A 96 15.050 7.241 37.935 1.00 5.37 C ATOM 745 C ARG A 96 16.130 6.721 36.979 1.00 5.62 C ATOM 746 O ARG A 96 17.338 6.870 37.235 1.00 6.22 O ATOM 747 CB ARG A 96 14.565 6.082 38.826 1.00 5.53 C ATOM 748 CG ARG A 96 13.550 6.421 39.963 1.00 6.10 C ATOM 749 CD ARG A 96 13.997 7.510 40.932 1.00 4.87 C ATOM 750 NE ARG A 96 15.322 7.266 41.514 1.00 5.49 N ATOM 751 CZ ARG A 96 15.544 6.822 42.744 1.00 5.82 C ATOM 752 NH1 ARG A 96 16.789 6.666 43.156 1.00 6.57 N ATOM 753 NH2 ARG A 96 14.535 6.535 43.569 1.00 5.74 N ATOM 754 HE ARG A 96 16.151 7.456 40.916 1.00 0.00 H ATOM 755 HH12 ARG A 96 16.979 6.319 44.118 1.00 0.00 H ATOM 756 HH11 ARG A 96 17.580 6.890 42.519 1.00 0.00 H ATOM 757 HH22 ARG A 96 14.731 6.188 44.530 1.00 0.00 H ATOM 758 HH21 ARG A 96 13.552 6.658 43.251 1.00 0.00 H ATOM 759 H ARG A 96 12.994 7.430 37.263 1.00 0.00 H ATOM 760 N ALA A 97 15.678 6.106 35.885 1.00 5.32 N ATOM 761 CA ALA A 97 16.564 5.479 34.900 1.00 6.04 C ATOM 762 C ALA A 97 17.462 6.478 34.198 1.00 7.33 C ATOM 763 O ALA A 97 18.622 6.177 33.949 1.00 7.56 O ATOM 764 CB ALA A 97 15.759 4.677 33.881 1.00 6.11 C ATOM 765 H ALA A 97 14.651 6.070 35.724 1.00 0.00 H ATOM 766 N VAL A 98 16.918 7.652 33.862 1.00 7.48 N ATOM 767 CA VAL A 98 17.716 8.748 33.300 1.00 8.90 C ATOM 768 C VAL A 98 18.804 9.171 34.298 1.00 10.01 C ATOM 769 O VAL A 98 19.959 9.382 33.919 1.00 10.23 O ATOM 770 CB VAL A 98 16.843 9.980 32.881 1.00 8.65 C ATOM 771 CG1 VAL A 98 17.714 11.171 32.471 1.00 11.21 C ATOM 772 CG2 VAL A 98 15.935 9.629 31.735 1.00 7.98 C ATOM 773 H VAL A 98 15.897 7.793 34.003 1.00 0.00 H ATOM 774 N ALA A 99 18.418 9.255 35.571 1.00 10.24 N ATOM 775 CA ALA A 99 19.314 9.611 36.659 1.00 11.50 C ATOM 776 C ALA A 99 20.320 8.515 37.011 1.00 12.68 C ATOM 777 O ALA A 99 21.350 8.786 37.643 1.00 13.82 O ATOM 778 CB ALA A 99 18.501 9.990 37.880 1.00 11.24 C ATOM 779 H ALA A 99 17.423 9.055 35.798 1.00 0.00 H ATOM 780 N LEU A 100 20.020 7.280 36.617 1.00 12.60 N ATOM 781 CA LEU A 100 20.959 6.175 36.795 1.00 13.56 C ATOM 782 C LEU A 100 21.835 5.978 35.551 1.00 14.43 C ATOM 783 O LEU A 100 22.723 5.120 35.538 1.00 15.54 O ATOM 784 CB LEU A 100 20.225 4.888 37.171 1.00 12.91 C ATOM 785 CG LEU A 100 19.530 4.855 38.538 1.00 12.82 C ATOM 786 CD1 LEU A 100 18.620 3.643 38.624 1.00 13.03 C ATOM 787 CD2 LEU A 100 20.533 4.881 39.713 1.00 15.71 C ATOM 788 H LEU A 100 19.097 7.097 36.173 1.00 0.00 H ATOM 789 N GLY A 101 21.579 6.788 34.521 1.00 14.34 N ATOM 790 CA GLY A 101 22.380 6.802 33.293 1.00 15.32 C ATOM 791 C GLY A 101 22.095 5.634 32.369 1.00 15.09 C ATOM 792 O GLY A 101 22.920 5.282 31.521 1.00 15.71 O ATOM 793 H GLY A 101 20.772 7.441 34.593 1.00 0.00 H ATOM 794 N LYS A 102 20.909 5.052 32.528 1.00 14.15 N ATOM 795 CA LYS A 102 20.498 3.855 31.796 1.00 13.95 C ATOM 796 C LYS A 102 20.146 4.168 30.338 1.00 13.75 C ATOM 797 O LYS A 102 19.667 5.259 30.049 1.00 13.53 O ATOM 798 CB LYS A 102 19.306 3.206 32.505 1.00 13.04 C ATOM 799 CG LYS A 102 19.566 2.811 33.952 1.00 14.33 C ATOM 800 CD LYS A 102 20.709 1.809 34.076 1.00 17.60 C ATOM 801 CE LYS A 102 21.005 1.483 35.537 1.00 18.14 C ATOM 802 NZ LYS A 102 21.617 0.142 35.630 1.00 19.39 N ATOM 803 HZ1 LYS A 102 20.960 -0.565 35.243 1.00 0.00 H ATOM 804 HZ2 LYS A 102 22.503 0.128 35.085 1.00 0.00 H ATOM 805 HZ3 LYS A 102 21.818 -0.078 36.626 1.00 0.00 H ATOM 806 H LYS A 102 20.241 5.469 33.207 1.00 0.00 H ATOM 807 N PRO A 103 20.419 3.229 29.406 1.00 14.36 N ATOM 808 CA PRO A 103 19.931 3.451 28.046 1.00 14.49 C ATOM 809 C PRO A 103 18.442 3.112 27.999 1.00 13.56 C ATOM 810 O PRO A 103 18.018 2.077 28.541 1.00 13.30 O ATOM 811 CB PRO A 103 20.750 2.468 27.195 1.00 15.98 C ATOM 812 CG PRO A 103 21.686 1.770 28.136 1.00 16.52 C ATOM 813 CD PRO A 103 21.191 1.977 29.515 1.00 14.98 C ATOM 814 N ILE A 104 17.664 3.993 27.376 1.00 12.71 N ATOM 815 CA ILE A 104 16.211 3.917 27.443 1.00 11.27 C ATOM 816 C ILE A 104 15.551 3.893 26.052 1.00 11.79 C ATOM 817 O ILE A 104 15.899 4.692 25.166 1.00 12.43 O ATOM 818 CB ILE A 104 15.629 5.080 28.293 1.00 10.15 C ATOM 819 CG1 ILE A 104 16.091 4.977 29.765 1.00 9.61 C ATOM 820 CG2 ILE A 104 14.100 5.129 28.168 1.00 7.97 C ATOM 821 CD1 ILE A 104 16.151 6.303 30.513 1.00 8.04 C ATOM 822 H ILE A 104 18.105 4.757 26.826 1.00 0.00 H ATOM 823 N LEU A 105 14.597 2.977 25.882 1.00 11.32 N ATOM 824 CA LEU A 105 13.707 2.978 24.713 1.00 11.68 C ATOM 825 C LEU A 105 12.244 3.126 25.135 1.00 10.76 C ATOM 826 O LEU A 105 11.742 2.332 25.933 1.00 10.10 O ATOM 827 CB LEU A 105 13.886 1.700 23.874 1.00 12.44 C ATOM 828 CG LEU A 105 12.832 1.423 22.788 1.00 12.94 C ATOM 829 CD1 LEU A 105 12.931 2.401 21.598 1.00 12.69 C ATOM 830 CD2 LEU A 105 12.933 -0.017 22.313 1.00 13.13 C ATOM 831 H LEU A 105 14.479 2.236 26.602 1.00 0.00 H ATOM 832 N CYS A 106 11.571 4.150 24.606 1.00 10.66 N ATOM 833 CA CYS A 106 10.137 4.331 24.843 1.00 10.58 C ATOM 834 C CYS A 106 9.358 4.038 23.571 1.00 11.13 C ATOM 835 O CYS A 106 9.749 4.481 22.492 1.00 12.02 O ATOM 836 CB CYS A 106 9.812 5.746 25.337 1.00 9.53 C ATOM 837 SG CYS A 106 10.375 6.142 27.016 1.00 10.78 S ATOM 838 H CYS A 106 12.077 4.836 24.011 1.00 0.00 H ATOM 839 N LEU A 107 8.254 3.298 23.716 1.00 11.71 N ATOM 840 CA LEU A 107 7.390 2.907 22.604 1.00 12.70 C ATOM 841 C LEU A 107 5.981 3.488 22.783 1.00 12.55 C ATOM 842 O LEU A 107 5.329 3.264 23.807 1.00 11.54 O ATOM 843 CB LEU A 107 7.330 1.370 22.479 1.00 13.46 C ATOM 844 CG LEU A 107 8.571 0.647 21.929 1.00 14.60 C ATOM 845 CD1 LEU A 107 8.555 -0.861 22.258 1.00 15.54 C ATOM 846 CD2 LEU A 107 8.750 0.877 20.419 1.00 16.30 C ATOM 847 H LEU A 107 7.996 2.983 24.673 1.00 0.00 H ATOM 848 N PHE A 108 5.526 4.227 21.773 1.00 13.29 N ATOM 849 CA PHE A 108 4.265 4.963 21.835 1.00 13.59 C ATOM 850 C PHE A 108 3.425 4.720 20.582 1.00 15.48 C ATOM 851 O PHE A 108 3.961 4.672 19.471 1.00 16.21 O ATOM 852 CB PHE A 108 4.529 6.462 21.989 1.00 13.27 C ATOM 853 CG PHE A 108 3.267 7.299 22.066 1.00 13.68 C ATOM 854 CD1 PHE A 108 2.780 7.958 20.933 1.00 15.31 C ATOM 855 CD2 PHE A 108 2.555 7.395 23.257 1.00 11.73 C ATOM 856 CE1 PHE A 108 1.609 8.719 20.993 1.00 15.37 C ATOM 857 CE2 PHE A 108 1.389 8.151 23.337 1.00 12.46 C ATOM 858 CZ PHE A 108 0.912 8.817 22.201 1.00 13.76 C ATOM 859 H PHE A 108 6.092 4.283 20.903 1.00 0.00 H ATOM 860 N ARG A 109 2.110 4.620 20.770 1.00 16.03 N ATOM 861 CA ARG A 109 1.180 4.242 19.704 1.00 18.54 C ATOM 862 C ARG A 109 0.282 5.417 19.333 1.00 19.43 C ATOM 863 O ARG A 109 -0.732 5.637 19.986 1.00 19.57 O ATOM 864 CB ARG A 109 0.319 3.092 20.214 1.00 18.70 C ATOM 865 CG ARG A 109 -0.146 2.111 19.188 1.00 20.89 C ATOM 866 CD ARG A 109 -0.707 0.870 19.873 1.00 21.62 C ATOM 867 NE ARG A 109 -1.848 1.171 20.742 1.00 20.65 N ATOM 868 CZ ARG A 109 -1.839 1.088 22.073 1.00 19.29 C ATOM 869 NH1 ARG A 109 -0.746 0.712 22.727 1.00 17.10 N ATOM 870 NH2 ARG A 109 -2.936 1.383 22.757 1.00 19.03 N ATOM 871 HE ARG A 109 -2.733 1.472 20.286 1.00 0.00 H ATOM 872 HH12 ARG A 109 -0.756 0.652 23.765 1.00 0.00 H ATOM 873 HH11 ARG A 109 0.120 0.477 22.201 1.00 0.00 H ATOM 874 HH22 ARG A 109 -2.934 1.320 23.795 1.00 0.00 H ATOM 875 HH21 ARG A 109 -3.798 1.677 22.255 1.00 0.00 H ATOM 876 H ARG A 109 1.727 4.819 21.716 1.00 0.00 H ATOM 877 N PRO A 110 0.650 6.185 18.288 1.00 20.59 N ATOM 878 CA PRO A 110 -0.156 7.343 17.881 1.00 21.77 C ATOM 879 C PRO A 110 -1.609 7.011 17.505 1.00 23.28 C ATOM 880 O PRO A 110 -2.448 7.916 17.517 1.00 23.99 O ATOM 881 CB PRO A 110 0.594 7.882 16.657 1.00 22.51 C ATOM 882 CG PRO A 110 1.986 7.402 16.829 1.00 21.91 C ATOM 883 CD PRO A 110 1.871 6.059 17.472 1.00 20.86 C ATOM 884 N GLN A 111 -1.890 5.743 17.174 1.00 24.14 N ATOM 885 CA GLN A 111 -3.259 5.260 16.870 1.00 25.74 C ATOM 886 C GLN A 111 -4.255 5.502 17.996 1.00 25.30 C ATOM 887 O GLN A 111 -5.437 5.740 17.748 1.00 26.67 O ATOM 888 CB GLN A 111 -3.271 3.754 16.566 1.00 26.19 C ATOM 889 CG GLN A 111 -3.459 3.387 15.107 1.00 28.79 C ATOM 890 CD GLN A 111 -2.157 3.078 14.409 1.00 29.69 C ATOM 891 OE1 GLN A 111 -1.286 3.936 14.288 1.00 30.99 O ATOM 892 NE2 GLN A 111 -2.020 1.851 13.934 1.00 30.36 N ATOM 893 HE22 GLN A 111 -2.784 1.156 14.060 1.00 0.00 H ATOM 894 HE21 GLN A 111 -1.148 1.581 13.435 1.00 0.00 H ATOM 895 H GLN A 111 -1.106 5.061 17.128 1.00 0.00 H ATOM 896 N SER A 112 -3.764 5.426 19.229 1.00 24.31 N ATOM 897 CA SER A 112 -4.589 5.468 20.433 1.00 23.86 C ATOM 898 C SER A 112 -5.356 6.773 20.556 1.00 24.60 C ATOM 899 O SER A 112 -6.381 6.835 21.234 1.00 25.34 O ATOM 900 CB SER A 112 -3.711 5.276 21.670 1.00 22.42 C ATOM 901 OG SER A 112 -2.755 6.314 21.776 1.00 19.94 O ATOM 902 HG SER A 112 -2.178 6.313 20.972 1.00 0.00 H ATOM 903 H SER A 112 -2.735 5.331 19.342 1.00 0.00 H ATOM 904 N GLY A 113 -4.855 7.807 19.888 1.00 24.79 N ATOM 905 CA GLY A 113 -5.448 9.133 19.969 1.00 25.62 C ATOM 906 C GLY A 113 -5.008 9.830 21.240 1.00 24.53 C ATOM 907 O GLY A 113 -5.699 10.712 21.746 1.00 25.13 O ATOM 908 H GLY A 113 -4.016 7.664 19.291 1.00 0.00 H ATOM 909 N ARG A 114 -3.867 9.406 21.772 1.00 23.36 N ATOM 910 CA ARG A 114 -3.257 10.073 22.914 1.00 22.40 C ATOM 911 C ARG A 114 -2.246 11.072 22.379 1.00 22.05 C ATOM 912 O ARG A 114 -1.791 10.957 21.242 1.00 22.83 O ATOM 913 CB ARG A 114 -2.549 9.070 23.832 1.00 21.44 C ATOM 914 CG ARG A 114 -3.433 8.011 24.474 1.00 22.35 C ATOM 915 CD ARG A 114 -4.047 8.479 25.781 1.00 22.45 C ATOM 916 NE ARG A 114 -4.502 7.351 26.591 1.00 22.60 N ATOM 917 CZ ARG A 114 -5.143 7.471 27.754 1.00 23.22 C ATOM 918 NH1 ARG A 114 -5.416 8.673 28.250 1.00 23.32 N ATOM 919 NH2 ARG A 114 -5.511 6.388 28.424 1.00 21.63 N ATOM 920 HE ARG A 114 -4.313 6.391 26.237 1.00 0.00 H ATOM 921 HH12 ARG A 114 -5.916 8.760 29.158 1.00 0.00 H ATOM 922 HH11 ARG A 114 -5.129 9.527 27.731 1.00 0.00 H ATOM 923 HH22 ARG A 114 -6.011 6.483 29.331 1.00 0.00 H ATOM 924 HH21 ARG A 114 -5.300 5.444 28.043 1.00 0.00 H ATOM 925 H ARG A 114 -3.396 8.574 21.362 1.00 0.00 H ATOM 926 N VAL A 115 -1.919 12.069 23.186 1.00 21.31 N ATOM 927 CA VAL A 115 -0.749 12.894 22.921 1.00 20.82 C ATOM 928 C VAL A 115 0.248 12.575 24.029 1.00 18.82 C ATOM 929 O VAL A 115 -0.089 12.642 25.212 1.00 18.26 O ATOM 930 CB VAL A 115 -1.076 14.406 22.853 1.00 21.91 C ATOM 931 CG1 VAL A 115 0.170 15.190 22.508 1.00 22.61 C ATOM 932 CG2 VAL A 115 -2.143 14.683 21.797 1.00 23.33 C ATOM 933 H VAL A 115 -2.506 12.266 24.021 1.00 0.00 H ATOM 934 N LEU A 116 1.453 12.177 23.637 1.00 17.54 N ATOM 935 CA LEU A 116 2.470 11.770 24.593 1.00 15.92 C ATOM 936 C LEU A 116 2.952 12.943 25.423 1.00 15.40 C ATOM 937 O LEU A 116 3.148 14.036 24.905 1.00 15.96 O ATOM 938 CB LEU A 116 3.662 11.096 23.897 1.00 15.60 C ATOM 939 CG LEU A 116 4.789 10.594 24.807 1.00 14.22 C ATOM 940 CD1 LEU A 116 4.266 9.665 25.914 1.00 9.75 C ATOM 941 CD2 LEU A 116 5.866 9.900 23.997 1.00 13.96 C ATOM 942 H LEU A 116 1.675 12.156 22.621 1.00 0.00 H ATOM 943 N SER A 117 3.132 12.690 26.716 1.00 14.12 N ATOM 944 CA SER A 117 3.704 13.650 27.662 1.00 13.33 C ATOM 945 C SER A 117 4.888 14.390 27.047 1.00 13.42 C ATOM 946 O SER A 117 5.805 13.758 26.527 1.00 13.46 O ATOM 947 CB SER A 117 4.175 12.910 28.921 1.00 12.48 C ATOM 948 OG SER A 117 4.738 13.808 29.860 1.00 10.50 O ATOM 949 HG SER A 117 5.033 13.305 30.660 1.00 0.00 H ATOM 950 H SER A 117 2.850 11.756 27.076 1.00 0.00 H ATOM 951 N ALA A 118 4.869 15.721 27.108 1.00 14.05 N ATOM 952 CA ALA A 118 5.983 16.516 26.602 1.00 14.40 C ATOM 953 C ALA A 118 7.266 16.236 27.377 1.00 13.73 C ATOM 954 O ALA A 118 8.366 16.419 26.859 1.00 13.94 O ATOM 955 CB ALA A 118 5.642 18.009 26.643 1.00 15.68 C ATOM 956 H ALA A 118 4.046 16.202 27.524 1.00 0.00 H ATOM 957 N MET A 119 7.114 15.776 28.615 1.00 12.95 N ATOM 958 CA MET A 119 8.247 15.450 29.474 1.00 12.19 C ATOM 959 C MET A 119 8.942 14.163 29.037 1.00 11.49 C ATOM 960 O MET A 119 10.150 14.001 29.226 1.00 11.33 O ATOM 961 CB MET A 119 7.798 15.356 30.935 1.00 11.81 C ATOM 962 CG MET A 119 7.471 16.710 31.548 1.00 13.00 C ATOM 963 SD MET A 119 8.898 17.820 31.570 1.00 13.50 S ATOM 964 CE MET A 119 9.841 17.201 32.949 1.00 11.74 C ATOM 965 H MET A 119 6.151 15.644 28.985 1.00 0.00 H ATOM 966 N ILE A 120 8.171 13.259 28.443 1.00 10.78 N ATOM 967 CA ILE A 120 8.711 11.999 27.934 1.00 10.12 C ATOM 968 C ILE A 120 9.293 12.190 26.545 1.00 10.93 C ATOM 969 O ILE A 120 10.453 11.836 26.305 1.00 11.13 O ATOM 970 CB ILE A 120 7.667 10.850 27.965 1.00 9.05 C ATOM 971 CG1 ILE A 120 7.101 10.678 29.384 1.00 8.39 C ATOM 972 CG2 ILE A 120 8.283 9.530 27.468 1.00 9.62 C ATOM 973 CD1 ILE A 120 8.150 10.366 30.457 1.00 6.32 C ATOM 974 H ILE A 120 7.155 13.453 28.337 1.00 0.00 H ATOM 975 N ARG A 121 8.515 12.779 25.640 1.00 12.14 N ATOM 976 CA ARG A 121 9.020 13.056 24.296 1.00 14.05 C ATOM 977 C ARG A 121 10.210 14.016 24.346 1.00 15.08 C ATOM 978 O ARG A 121 11.198 13.805 23.658 1.00 15.46 O ATOM 979 CB ARG A 121 7.932 13.583 23.358 1.00 14.80 C ATOM 980 CG ARG A 121 8.308 13.414 21.880 1.00 16.52 C ATOM 981 CD ARG A 121 7.165 13.711 20.920 1.00 19.44 C ATOM 982 NE ARG A 121 6.048 12.761 20.993 1.00 18.73 N ATOM 983 CZ ARG A 121 6.022 11.554 20.427 1.00 18.33 C ATOM 984 NH1 ARG A 121 7.068 11.090 19.755 1.00 18.51 N ATOM 985 NH2 ARG A 121 4.938 10.800 20.545 1.00 19.51 N ATOM 986 HE ARG A 121 5.207 13.054 21.531 1.00 0.00 H ATOM 987 HH12 ARG A 121 7.030 10.146 19.320 1.00 0.00 H ATOM 988 HH11 ARG A 121 7.926 11.670 19.663 1.00 0.00 H ATOM 989 HH22 ARG A 121 4.910 9.857 20.106 1.00 0.00 H ATOM 990 HH21 ARG A 121 4.116 11.151 21.076 1.00 0.00 H ATOM 991 H ARG A 121 7.541 13.044 25.890 1.00 0.00 H ATOM 992 N GLY A 122 10.122 15.040 25.195 1.00 15.86 N ATOM 993 CA GLY A 122 11.186 16.044 25.316 1.00 16.98 C ATOM 994 C GLY A 122 12.468 15.574 25.984 1.00 17.13 C ATOM 995 O GLY A 122 13.483 16.278 25.939 1.00 17.74 O ATOM 996 H GLY A 122 9.274 15.130 25.790 1.00 0.00 H ATOM 997 N ALA A 123 12.417 14.393 26.604 1.00 16.57 N ATOM 998 CA ALA A 123 13.588 13.778 27.241 1.00 16.77 C ATOM 999 C ALA A 123 14.520 13.087 26.234 1.00 17.66 C ATOM 1000 O ALA A 123 15.688 12.800 26.551 1.00 18.32 O ATOM 1001 CB ALA A 123 13.158 12.807 28.327 1.00 15.19 C ATOM 1002 H ALA A 123 11.509 13.887 26.637 1.00 0.00 H ATOM 1003 N ALA A 124 14.011 12.853 25.021 1.00 18.25 N ATOM 1004 CA ALA A 124 14.768 12.183 23.951 1.00 19.61 C ATOM 1005 C ALA A 124 16.156 12.788 23.736 1.00 21.18 C ATOM 1006 O ALA A 124 16.306 14.001 23.594 1.00 22.14 O ATOM 1007 CB ALA A 124 13.973 12.166 22.647 1.00 20.09 C ATOM 1008 H ALA A 124 13.036 13.158 24.824 1.00 0.00 H ATOM 1009 N ASP A 125 17.168 11.930 23.722 1.00 22.02 N ATOM 1010 CA ASP A 125 18.553 12.384 23.789 1.00 23.70 C ATOM 1011 C ASP A 125 19.448 11.387 23.076 1.00 24.47 C ATOM 1012 O ASP A 125 19.817 10.350 23.648 1.00 24.06 O ATOM 1013 CB ASP A 125 18.971 12.512 25.258 1.00 23.45 C ATOM 1014 CG ASP A 125 20.255 13.283 25.444 1.00 26.02 C ATOM 1015 OD1 ASP A 125 20.888 13.689 24.443 1.00 29.10 O ATOM 1016 OD2 ASP A 125 20.628 13.491 26.613 1.00 27.88 O ATOM 1017 H ASP A 125 16.970 10.911 23.662 1.00 0.00 H ATOM 1018 N GLY A 126 19.779 11.702 21.823 1.00 25.71 N ATOM 1019 CA GLY A 126 20.587 10.830 20.979 1.00 26.59 C ATOM 1020 C GLY A 126 20.140 9.385 21.042 1.00 25.55 C ATOM 1021 O GLY A 126 18.946 9.085 20.912 1.00 24.99 O ATOM 1022 H GLY A 126 19.447 12.607 21.432 1.00 0.00 H ATOM 1023 N SER A 127 21.102 8.495 21.260 1.00 25.77 N ATOM 1024 CA SER A 127 20.831 7.066 21.394 1.00 25.10 C ATOM 1025 C SER A 127 20.568 6.676 22.846 1.00 23.28 C ATOM 1026 O SER A 127 20.119 5.563 23.122 1.00 22.78 O ATOM 1027 CB SER A 127 21.993 6.247 20.823 1.00 26.94 C ATOM 1028 OG SER A 127 23.207 6.555 21.484 1.00 28.48 O ATOM 1029 HG SER A 127 23.939 6.013 21.096 1.00 0.00 H ATOM 1030 H SER A 127 22.084 8.828 21.338 1.00 0.00 H ATOM 1031 N ARG A 128 20.841 7.599 23.768 1.00 22.51 N ATOM 1032 CA ARG A 128 20.665 7.344 25.201 1.00 20.86 C ATOM 1033 C ARG A 128 19.206 7.334 25.681 1.00 18.64 C ATOM 1034 O ARG A 128 18.848 6.529 26.536 1.00 17.74 O ATOM 1035 CB ARG A 128 21.525 8.302 26.037 1.00 21.58 C ATOM 1036 CG ARG A 128 23.013 7.886 26.123 1.00 24.34 C ATOM 1037 CD ARG A 128 23.151 6.369 26.050 1.00 25.09 C ATOM 1038 NE ARG A 128 23.953 5.772 27.118 1.00 26.16 N ATOM 1039 CZ ARG A 128 23.515 5.535 28.351 1.00 25.28 C ATOM 1040 NH1 ARG A 128 22.288 5.874 28.712 1.00 25.42 N ATOM 1041 NH2 ARG A 128 24.315 4.974 29.240 1.00 26.80 N ATOM 1042 HE ARG A 128 24.936 5.515 26.897 1.00 0.00 H ATOM 1043 HH12 ARG A 128 21.959 5.682 29.680 1.00 0.00 H ATOM 1044 HH11 ARG A 128 21.653 6.332 28.028 1.00 0.00 H ATOM 1045 HH22 ARG A 128 23.972 4.789 30.204 1.00 0.00 H ATOM 1046 HH21 ARG A 128 25.288 4.718 28.976 1.00 0.00 H ATOM 1047 H ARG A 128 21.190 8.529 23.461 1.00 0.00 H ATOM 1048 N PHE A 129 18.376 8.222 25.137 1.00 17.62 N ATOM 1049 CA PHE A 129 16.935 8.220 25.414 1.00 15.70 C ATOM 1050 C PHE A 129 16.175 8.344 24.093 1.00 15.88 C ATOM 1051 O PHE A 129 16.204 9.396 23.455 1.00 16.15 O ATOM 1052 CB PHE A 129 16.559 9.363 26.365 1.00 15.01 C ATOM 1053 CG PHE A 129 15.166 9.256 26.954 1.00 13.60 C ATOM 1054 CD1 PHE A 129 14.992 9.117 28.318 1.00 12.31 C ATOM 1055 CD2 PHE A 129 14.033 9.321 26.147 1.00 13.68 C ATOM 1056 CE1 PHE A 129 13.711 9.034 28.872 1.00 13.99 C ATOM 1057 CE2 PHE A 129 12.751 9.236 26.693 1.00 12.11 C ATOM 1058 CZ PHE A 129 12.588 9.087 28.051 1.00 11.62 C ATOM 1059 H PHE A 129 18.762 8.942 24.494 1.00 0.00 H ATOM 1060 N GLN A 130 15.505 7.269 23.680 1.00 15.05 N ATOM 1061 CA GLN A 130 14.763 7.288 22.417 1.00 15.69 C ATOM 1062 C GLN A 130 13.261 7.100 22.597 1.00 14.85 C ATOM 1063 O GLN A 130 12.815 6.397 23.506 1.00 13.67 O ATOM 1064 CB GLN A 130 15.292 6.230 21.458 1.00 16.60 C ATOM 1065 CG GLN A 130 16.759 6.393 21.085 1.00 17.34 C ATOM 1066 CD GLN A 130 17.185 5.383 20.042 1.00 18.88 C ATOM 1067 OE1 GLN A 130 16.614 5.323 18.961 1.00 19.40 O ATOM 1068 NE2 GLN A 130 18.188 4.578 20.368 1.00 20.31 N ATOM 1069 HE22 GLN A 130 18.644 4.665 21.299 1.00 0.00 H ATOM 1070 HE21 GLN A 130 18.519 3.860 19.693 1.00 0.00 H ATOM 1071 H GLN A 130 15.509 6.406 24.261 1.00 0.00 H ATOM 1072 N VAL A 131 12.488 7.732 21.718 1.00 14.94 N ATOM 1073 CA VAL A 131 11.046 7.521 21.683 1.00 14.55 C ATOM 1074 C VAL A 131 10.621 7.120 20.269 1.00 15.88 C ATOM 1075 O VAL A 131 10.803 7.870 19.307 1.00 16.43 O ATOM 1076 CB VAL A 131 10.234 8.747 22.174 1.00 14.04 C ATOM 1077 CG1 VAL A 131 8.766 8.372 22.316 1.00 13.02 C ATOM 1078 CG2 VAL A 131 10.773 9.293 23.515 1.00 13.34 C ATOM 1079 H VAL A 131 12.922 8.391 21.041 1.00 0.00 H ATOM 1080 N TRP A 132 10.074 5.914 20.157 1.00 16.71 N ATOM 1081 CA TRP A 132 9.697 5.343 18.872 1.00 18.22 C ATOM 1082 C TRP A 132 8.182 5.282 18.727 1.00 18.57 C ATOM 1083 O TRP A 132 7.496 4.643 19.521 1.00 17.90 O ATOM 1084 CB TRP A 132 10.312 3.948 18.711 1.00 18.50 C ATOM 1085 CG TRP A 132 11.817 3.941 18.445 1.00 19.12 C ATOM 1086 CD1 TRP A 132 12.730 4.906 18.790 1.00 19.92 C ATOM 1087 CD2 TRP A 132 12.564 2.903 17.803 1.00 20.70 C ATOM 1088 NE1 TRP A 132 13.993 4.536 18.389 1.00 20.19 N ATOM 1089 CE2 TRP A 132 13.922 3.309 17.786 1.00 21.32 C ATOM 1090 CE3 TRP A 132 12.221 1.671 17.233 1.00 21.75 C ATOM 1091 CZ2 TRP A 132 14.929 2.528 17.216 1.00 21.98 C ATOM 1092 CZ3 TRP A 132 13.228 0.894 16.674 1.00 23.26 C ATOM 1093 CH2 TRP A 132 14.565 1.329 16.670 1.00 22.20 C ATOM 1094 HE1 TRP A 132 14.859 5.096 18.522 1.00 0.00 H ATOM 1095 H TRP A 132 9.909 5.357 21.020 1.00 0.00 H ATOM 1096 N ASP A 133 7.668 5.974 17.718 1.00 20.23 N ATOM 1097 CA ASP A 133 6.259 5.884 17.360 1.00 21.46 C ATOM 1098 C ASP A 133 6.082 4.645 16.495 1.00 22.67 C ATOM 1099 O ASP A 133 6.894 4.391 15.599 1.00 24.19 O ATOM 1100 CB ASP A 133 5.817 7.138 16.604 1.00 21.94 C ATOM 1101 CG ASP A 133 5.817 8.375 17.482 1.00 22.16 C ATOM 1102 OD1 ASP A 133 5.026 8.409 18.453 1.00 21.46 O ATOM 1103 OD2 ASP A 133 6.588 9.316 17.195 1.00 21.29 O ATOM 1104 H ASP A 133 8.290 6.599 17.166 1.00 0.00 H ATOM 1105 N TYR A 134 5.033 3.876 16.771 1.00 22.72 N ATOM 1106 CA TYR A 134 4.798 2.614 16.080 1.00 24.08 C ATOM 1107 C TYR A 134 3.305 2.303 15.921 1.00 25.25 C ATOM 1108 O TYR A 134 2.477 2.795 16.684 1.00 24.71 O ATOM 1109 CB TYR A 134 5.506 1.478 16.832 1.00 23.12 C ATOM 1110 CG TYR A 134 4.779 1.007 18.067 1.00 21.34 C ATOM 1111 CD1 TYR A 134 3.928 -0.097 18.012 1.00 20.26 C ATOM 1112 CD2 TYR A 134 4.936 1.663 19.291 1.00 18.23 C ATOM 1113 CE1 TYR A 134 3.244 -0.530 19.131 1.00 19.28 C ATOM 1114 CE2 TYR A 134 4.261 1.227 20.427 1.00 16.92 C ATOM 1115 CZ TYR A 134 3.418 0.129 20.337 1.00 18.07 C ATOM 1116 OH TYR A 134 2.742 -0.310 21.441 1.00 17.59 O ATOM 1117 HH TYR A 134 2.156 0.414 21.777 1.00 0.00 H ATOM 1118 H TYR A 134 4.360 4.184 17.502 1.00 0.00 H ATOM 1119 N ALA A 135 2.978 1.480 14.929 1.00 27.69 N ATOM 1120 CA ALA A 135 1.623 0.960 14.759 1.00 29.60 C ATOM 1121 C ALA A 135 1.556 -0.408 15.419 1.00 30.48 C ATOM 1122 O ALA A 135 2.468 -1.213 15.254 1.00 31.19 O ATOM 1123 CB ALA A 135 1.279 0.848 13.280 1.00 31.43 C ATOM 1124 H ALA A 135 3.713 1.196 14.250 1.00 0.00 H ATOM 1125 N GLU A 136 0.494 -0.685 16.171 1.00 31.14 N ATOM 1126 CA GLU A 136 0.376 -2.010 16.786 1.00 31.95 C ATOM 1127 C GLU A 136 0.256 -3.065 15.688 1.00 33.58 C ATOM 1128 O GLU A 136 -0.221 -2.780 14.580 1.00 34.75 O ATOM 1129 CB GLU A 136 -0.764 -2.094 17.810 1.00 31.69 C ATOM 1130 CG GLU A 136 -2.117 -2.497 17.259 1.00 34.96 C ATOM 1131 CD GLU A 136 -3.075 -2.914 18.354 1.00 36.91 C ATOM 1132 OE1 GLU A 136 -3.600 -2.022 19.056 1.00 36.59 O ATOM 1133 OE2 GLU A 136 -3.303 -4.135 18.508 1.00 38.56 O ATOM 1134 H GLU A 136 -0.245 0.031 16.321 1.00 0.00 H ATOM 1135 N GLY A 137 0.713 -4.271 16.003 1.00 33.86 N ATOM 1136 CA GLY A 137 0.942 -5.300 14.998 1.00 35.40 C ATOM 1137 C GLY A 137 2.394 -5.242 14.562 1.00 35.02 C ATOM 1138 O GLY A 137 2.906 -6.188 13.973 1.00 36.58 O ATOM 1139 H GLY A 137 0.914 -4.488 17.000 1.00 0.00 H ATOM 1140 N GLU A 138 3.052 -4.125 14.869 1.00 33.34 N ATOM 1141 CA GLU A 138 4.437 -3.874 14.471 1.00 33.04 C ATOM 1142 C GLU A 138 5.394 -3.813 15.676 1.00 31.15 C ATOM 1143 O GLU A 138 6.606 -3.634 15.507 1.00 30.78 O ATOM 1144 CB GLU A 138 4.504 -2.573 13.660 1.00 33.26 C ATOM 1145 CG GLU A 138 5.896 -2.120 13.205 1.00 34.17 C ATOM 1146 CD GLU A 138 5.987 -0.607 13.008 1.00 34.69 C ATOM 1147 OE1 GLU A 138 6.735 -0.160 12.112 1.00 36.10 O ATOM 1148 OE2 GLU A 138 5.306 0.137 13.743 1.00 33.88 O ATOM 1149 H GLU A 138 2.556 -3.395 15.419 1.00 0.00 H ATOM 1150 N VAL A 139 4.860 -3.983 16.886 1.00 29.62 N ATOM 1151 CA VAL A 139 5.669 -3.803 18.092 1.00 27.76 C ATOM 1152 C VAL A 139 6.881 -4.749 18.174 1.00 28.40 C ATOM 1153 O VAL A 139 7.976 -4.321 18.542 1.00 27.60 O ATOM 1154 CB VAL A 139 4.812 -3.808 19.390 1.00 26.80 C ATOM 1155 CG1 VAL A 139 4.575 -5.224 19.916 1.00 26.97 C ATOM 1156 CG2 VAL A 139 5.464 -2.938 20.448 1.00 24.75 C ATOM 1157 H VAL A 139 3.858 -4.246 16.974 1.00 0.00 H ATOM 1158 N GLU A 140 6.688 -6.016 17.796 1.00 29.73 N ATOM 1159 CA GLU A 140 7.752 -7.021 17.857 1.00 30.50 C ATOM 1160 C GLU A 140 8.893 -6.679 16.903 1.00 31.15 C ATOM 1161 O GLU A 140 10.073 -6.821 17.246 1.00 31.04 O ATOM 1162 CB GLU A 140 7.211 -8.423 17.553 1.00 32.18 C ATOM 1163 CG GLU A 140 6.271 -8.999 18.614 1.00 32.99 C ATOM 1164 CD GLU A 140 4.801 -8.648 18.385 1.00 34.30 C ATOM 1165 OE1 GLU A 140 4.465 -8.008 17.364 1.00 35.21 O ATOM 1166 OE2 GLU A 140 3.970 -9.023 19.236 1.00 34.91 O ATOM 1167 H GLU A 140 5.750 -6.298 17.446 1.00 0.00 H ATOM 1168 N THR A 141 8.527 -6.218 15.709 1.00 31.89 N ATOM 1169 CA THR A 141 9.492 -5.829 14.684 1.00 32.77 C ATOM 1170 C THR A 141 10.319 -4.632 15.140 1.00 31.20 C ATOM 1171 O THR A 141 11.525 -4.565 14.891 1.00 31.80 O ATOM 1172 CB THR A 141 8.790 -5.460 13.365 1.00 33.77 C ATOM 1173 OG1 THR A 141 7.566 -6.195 13.243 1.00 34.82 O ATOM 1174 CG2 THR A 141 9.691 -5.766 12.181 1.00 36.11 C ATOM 1175 HG1 THR A 141 7.120 -5.953 12.393 1.00 0.00 H ATOM 1176 H THR A 141 7.512 -6.131 15.497 1.00 0.00 H ATOM 1177 N MET A 142 9.656 -3.686 15.799 1.00 29.58 N ATOM 1178 CA MET A 142 10.319 -2.490 16.307 1.00 28.16 C ATOM 1179 C MET A 142 11.317 -2.848 17.397 1.00 27.20 C ATOM 1180 O MET A 142 12.370 -2.217 17.510 1.00 27.22 O ATOM 1181 CB MET A 142 9.295 -1.475 16.826 1.00 27.10 C ATOM 1182 CG MET A 142 8.383 -0.899 15.745 1.00 28.47 C ATOM 1183 SD MET A 142 9.210 0.185 14.561 1.00 32.63 S ATOM 1184 CE MET A 142 9.121 1.756 15.423 1.00 30.90 C ATOM 1185 H MET A 142 8.635 -3.802 15.957 1.00 0.00 H ATOM 1186 N LEU A 143 10.983 -3.862 18.195 1.00 26.62 N ATOM 1187 CA LEU A 143 11.875 -4.328 19.258 1.00 26.05 C ATOM 1188 C LEU A 143 13.127 -4.974 18.677 1.00 27.63 C ATOM 1189 O LEU A 143 14.227 -4.765 19.187 1.00 27.86 O ATOM 1190 CB LEU A 143 11.152 -5.286 20.206 1.00 25.43 C ATOM 1191 CG LEU A 143 10.244 -4.634 21.258 1.00 23.73 C ATOM 1192 CD1 LEU A 143 9.446 -5.683 22.002 1.00 23.32 C ATOM 1193 CD2 LEU A 143 11.045 -3.763 22.236 1.00 21.82 C ATOM 1194 H LEU A 143 10.066 -4.334 18.059 1.00 0.00 H ATOM 1195 N ASP A 144 12.940 -5.740 17.602 1.00 28.97 N ATOM 1196 CA ASP A 144 14.031 -6.380 16.876 1.00 30.78 C ATOM 1197 C ASP A 144 14.970 -5.353 16.247 1.00 31.21 C ATOM 1198 O ASP A 144 16.185 -5.514 16.305 1.00 31.77 O ATOM 1199 CB ASP A 144 13.477 -7.315 15.797 1.00 32.27 C ATOM 1200 CG ASP A 144 12.643 -8.453 16.373 1.00 31.92 C ATOM 1201 OD1 ASP A 144 12.792 -8.781 17.570 1.00 29.74 O ATOM 1202 OD2 ASP A 144 11.838 -9.028 15.616 1.00 33.05 O ATOM 1203 H ASP A 144 11.968 -5.889 17.264 1.00 0.00 H ATOM 1204 N ARG A 145 14.396 -4.299 15.662 1.00 30.79 N ATOM 1205 CA ARG A 145 15.171 -3.205 15.071 1.00 31.06 C ATOM 1206 C ARG A 145 16.054 -2.469 16.088 1.00 30.03 C ATOM 1207 O ARG A 145 17.202 -2.138 15.780 1.00 30.92 O ATOM 1208 CB ARG A 145 14.248 -2.218 14.351 1.00 30.80 C ATOM 1209 H ARG A 145 13.358 -4.253 15.624 1.00 0.00 H ATOM 1210 N TYR A 146 15.530 -2.221 17.292 1.00 28.36 N ATOM 1211 CA TYR A 146 16.298 -1.516 18.337 1.00 27.38 C ATOM 1212 C TYR A 146 17.489 -2.311 18.864 1.00 28.37 C ATOM 1213 O TYR A 146 18.573 -1.763 19.060 1.00 28.67 O ATOM 1214 CB TYR A 146 15.413 -1.097 19.523 1.00 25.15 C ATOM 1215 CG TYR A 146 16.186 -0.405 20.636 1.00 23.36 C ATOM 1216 CD1 TYR A 146 16.386 0.972 20.618 1.00 22.14 C ATOM 1217 CD2 TYR A 146 16.724 -1.132 21.697 1.00 22.52 C ATOM 1218 CE1 TYR A 146 17.095 1.606 21.625 1.00 21.23 C ATOM 1219 CE2 TYR A 146 17.438 -0.512 22.703 1.00 21.72 C ATOM 1220 CZ TYR A 146 17.621 0.858 22.663 1.00 21.74 C ATOM 1221 OH TYR A 146 18.321 1.479 23.668 1.00 20.62 O ATOM 1222 HH TYR A 146 18.360 2.452 23.489 1.00 0.00 H ATOM 1223 H TYR A 146 14.559 -2.532 17.497 1.00 0.00 H ATOM 1224 N PHE A 147 17.278 -3.595 19.123 1.00 29.49 N ATOM 1225 CA PHE A 147 18.313 -4.405 19.764 1.00 30.81 C ATOM 1226 C PHE A 147 19.445 -4.794 18.818 1.00 33.43 C ATOM 1227 O PHE A 147 20.609 -4.849 19.225 1.00 34.18 O ATOM 1228 CB PHE A 147 17.705 -5.632 20.440 1.00 30.68 C ATOM 1229 CG PHE A 147 17.134 -5.346 21.794 1.00 28.51 C ATOM 1230 CD1 PHE A 147 15.769 -5.153 21.958 1.00 27.31 C ATOM 1231 CD2 PHE A 147 17.964 -5.253 22.906 1.00 28.54 C ATOM 1232 CE1 PHE A 147 15.234 -4.882 23.209 1.00 25.55 C ATOM 1233 CE2 PHE A 147 17.442 -4.982 24.165 1.00 27.52 C ATOM 1234 CZ PHE A 147 16.071 -4.792 24.316 1.00 27.18 C ATOM 1235 H PHE A 147 16.368 -4.029 18.868 1.00 0.00 H ATOM 1236 N GLU A 148 19.093 -5.050 17.559 1.00 35.12 N ATOM 1237 CA GLU A 148 20.065 -5.317 16.501 1.00 37.84 C ATOM 1238 C GLU A 148 20.990 -4.117 16.276 1.00 38.13 C ATOM 1239 O GLU A 148 22.148 -4.280 15.889 1.00 39.84 O ATOM 1240 CB GLU A 148 19.343 -5.663 15.190 1.00 39.11 C ATOM 1241 CG GLU A 148 18.626 -7.021 15.178 1.00 40.79 C ATOM 1242 CD GLU A 148 17.776 -7.255 13.922 1.00 42.80 C ATOM 1243 OE1 GLU A 148 17.481 -6.283 13.187 1.00 42.55 O ATOM 1244 OE2 GLU A 148 17.398 -8.424 13.674 1.00 44.40 O ATOM 1245 H GLU A 148 18.081 -5.060 17.318 1.00 0.00 H ATOM 1246 N ALA A 149 20.466 -2.919 16.525 1.00 36.85 N ATOM 1247 CA ALA A 149 21.197 -1.677 16.291 1.00 37.21 C ATOM 1248 C ALA A 149 22.034 -1.240 17.490 1.00 36.77 C ATOM 1249 O ALA A 149 23.202 -0.885 17.327 1.00 37.88 O ATOM 1250 CB ALA A 149 20.235 -0.570 15.881 1.00 36.30 C ATOM 1251 H ALA A 149 19.498 -2.866 16.901 1.00 0.00 H ATOM 1252 N TYR A 150 21.438 -1.281 18.684 1.00 35.20 N ATOM 1253 CA TYR A 150 22.055 -0.709 19.886 1.00 34.42 C ATOM 1254 C TYR A 150 22.353 -1.730 20.985 1.00 34.34 C ATOM 1255 O TYR A 150 22.592 -2.905 20.711 1.00 35.48 O ATOM 1256 CB TYR A 150 21.181 0.419 20.446 1.00 32.60 C ATOM 1257 CG TYR A 150 20.834 1.501 19.441 1.00 32.57 C ATOM 1258 CD1 TYR A 150 21.780 2.454 19.051 1.00 33.41 C ATOM 1259 CD2 TYR A 150 19.555 1.580 18.890 1.00 31.71 C ATOM 1260 CE1 TYR A 150 21.462 3.453 18.133 1.00 33.65 C ATOM 1261 CE2 TYR A 150 19.228 2.571 17.968 1.00 31.67 C ATOM 1262 CZ TYR A 150 20.182 3.505 17.597 1.00 32.85 C ATOM 1263 OH TYR A 150 19.854 4.487 16.688 1.00 32.96 O ATOM 1264 HH TYR A 150 20.641 5.068 16.533 1.00 0.00 H ATOM 1265 H TYR A 150 20.505 -1.734 18.765 1.00 0.00 H TER 1266 TYR A 150 ATOM 1267 N ARG B 10 11.959 30.814 49.364 1.00 23.76 N ATOM 1268 CA ARG B 10 11.695 29.391 48.988 1.00 22.23 C ATOM 1269 C ARG B 10 11.110 29.284 47.576 1.00 21.09 C ATOM 1270 O ARG B 10 10.257 30.089 47.184 1.00 21.21 O ATOM 1271 CB ARG B 10 10.740 28.743 50.000 1.00 22.04 C ATOM 1272 CG ARG B 10 10.478 27.265 49.764 1.00 22.29 C ATOM 1273 CD ARG B 10 9.508 26.675 50.777 1.00 24.65 C ATOM 1274 NE ARG B 10 10.103 26.565 52.110 1.00 27.27 N ATOM 1275 CZ ARG B 10 9.731 27.282 53.166 1.00 28.83 C ATOM 1276 NH1 ARG B 10 8.747 28.171 53.067 1.00 29.16 N ATOM 1277 NH2 ARG B 10 10.342 27.106 54.331 1.00 30.10 N ATOM 1278 HE ARG B 10 10.872 25.877 52.240 1.00 0.00 H ATOM 1279 HH12 ARG B 10 8.463 28.727 53.899 1.00 0.00 H ATOM 1280 HH11 ARG B 10 8.261 28.310 52.158 1.00 0.00 H ATOM 1281 HH22 ARG B 10 10.054 27.665 55.159 1.00 0.00 H ATOM 1282 HH21 ARG B 10 11.109 26.409 54.416 1.00 0.00 H ATOM 1283 HN3 ARG B 10 11.068 31.350 49.334 1.00 0.00 H ATOM 1284 HN2 ARG B 10 12.637 31.228 48.693 1.00 0.00 H ATOM 1285 HN1 ARG B 10 12.354 30.850 50.325 1.00 0.00 H ATOM 1286 N SER B 11 11.576 28.290 46.821 1.00 19.62 N ATOM 1287 CA SER B 11 11.027 28.001 45.500 1.00 18.31 C ATOM 1288 C SER B 11 10.400 26.620 45.482 1.00 16.50 C ATOM 1289 O SER B 11 11.043 25.618 45.822 1.00 15.72 O ATOM 1290 CB SER B 11 12.084 28.134 44.397 1.00 18.46 C ATOM 1291 OG SER B 11 13.203 27.314 44.660 1.00 19.33 O ATOM 1292 HG SER B 11 13.610 27.580 45.522 1.00 0.00 H ATOM 1293 H SER B 11 12.354 27.703 47.184 1.00 0.00 H ATOM 1294 N VAL B 12 9.136 26.602 45.073 1.00 15.33 N ATOM 1295 CA VAL B 12 8.291 25.418 45.063 1.00 13.61 C ATOM 1296 C VAL B 12 8.010 24.982 43.630 1.00 12.67 C ATOM 1297 O VAL B 12 7.486 25.752 42.831 1.00 12.53 O ATOM 1298 CB VAL B 12 6.940 25.704 45.767 1.00 13.68 C ATOM 1299 CG1 VAL B 12 5.983 24.489 45.647 1.00 12.82 C ATOM 1300 CG2 VAL B 12 7.175 26.063 47.215 1.00 13.79 C ATOM 1301 H VAL B 12 8.723 27.495 44.737 1.00 0.00 H ATOM 1302 N TYR B 13 8.346 23.733 43.314 1.00 11.34 N ATOM 1303 CA TYR B 13 8.022 23.172 42.024 1.00 10.31 C ATOM 1304 C TYR B 13 6.728 22.368 42.166 1.00 10.25 C ATOM 1305 O TYR B 13 6.639 21.487 43.022 1.00 10.16 O ATOM 1306 CB TYR B 13 9.160 22.262 41.543 1.00 10.01 C ATOM 1307 CG TYR B 13 9.029 21.810 40.097 1.00 8.82 C ATOM 1308 CD1 TYR B 13 9.777 22.409 39.095 1.00 7.93 C ATOM 1309 CD2 TYR B 13 8.167 20.774 39.744 1.00 7.36 C ATOM 1310 CE1 TYR B 13 9.675 21.994 37.776 1.00 8.82 C ATOM 1311 CE2 TYR B 13 8.034 20.367 38.427 1.00 6.59 C ATOM 1312 CZ TYR B 13 8.804 20.962 37.452 1.00 8.31 C ATOM 1313 OH TYR B 13 8.677 20.547 36.147 1.00 9.07 O ATOM 1314 HH TYR B 13 7.745 20.690 35.846 1.00 0.00 H ATOM 1315 H TYR B 13 8.852 23.150 44.011 1.00 0.00 H ATOM 1316 N PHE B 14 5.728 22.688 41.344 1.00 9.99 N ATOM 1317 CA PHE B 14 4.447 21.982 41.388 1.00 9.20 C ATOM 1318 C PHE B 14 4.199 21.145 40.136 1.00 8.33 C ATOM 1319 O PHE B 14 4.246 21.657 39.010 1.00 7.64 O ATOM 1320 CB PHE B 14 3.252 22.933 41.651 1.00 9.67 C ATOM 1321 CG PHE B 14 1.898 22.242 41.548 1.00 11.00 C ATOM 1322 CD1 PHE B 14 1.046 22.498 40.470 1.00 11.89 C ATOM 1323 CD2 PHE B 14 1.511 21.292 42.492 1.00 11.24 C ATOM 1324 CE1 PHE B 14 -0.189 21.851 40.356 1.00 12.39 C ATOM 1325 CE2 PHE B 14 0.278 20.628 42.387 1.00 9.55 C ATOM 1326 CZ PHE B 14 -0.570 20.905 41.316 1.00 10.83 C ATOM 1327 H PHE B 14 5.861 23.457 40.656 1.00 0.00 H ATOM 1328 N CYS B 15 3.928 19.855 40.371 1.00 7.47 N ATOM 1329 CA CYS B 15 3.553 18.893 39.350 1.00 7.73 C ATOM 1330 C CYS B 15 2.046 18.598 39.389 1.00 7.76 C ATOM 1331 O CYS B 15 1.480 18.344 40.467 1.00 8.14 O ATOM 1332 CB CYS B 15 4.278 17.553 39.574 1.00 5.85 C ATOM 1333 SG CYS B 15 5.978 17.649 40.201 1.00 7.75 S ATOM 1334 H CYS B 15 3.990 19.519 41.353 1.00 0.00 H ATOM 1335 N GLY B 16 1.415 18.618 38.216 1.00 8.46 N ATOM 1336 CA GLY B 16 0.065 18.066 38.033 1.00 8.87 C ATOM 1337 C GLY B 16 -0.143 17.523 36.624 1.00 9.19 C ATOM 1338 O GLY B 16 0.557 17.927 35.698 1.00 9.51 O ATOM 1339 H GLY B 16 1.897 19.041 37.397 1.00 0.00 H ATOM 1340 N SER B 17 -1.106 16.611 36.462 1.00 9.08 N ATOM 1341 CA SER B 17 -1.427 16.025 35.152 1.00 9.69 C ATOM 1342 C SER B 17 -1.837 17.052 34.083 1.00 11.05 C ATOM 1343 O SER B 17 -2.699 17.917 34.322 1.00 12.21 O ATOM 1344 CB SER B 17 -2.524 14.955 35.303 1.00 9.45 C ATOM 1345 OG SER B 17 -2.971 14.483 34.038 1.00 8.80 O ATOM 1346 HG SER B 17 -3.340 15.239 33.517 1.00 0.00 H ATOM 1347 H SER B 17 -1.649 16.304 37.294 1.00 0.00 H ATOM 1348 N ILE B 18 -1.215 16.972 32.910 1.00 11.45 N ATOM 1349 CA ILE B 18 -1.680 17.758 31.764 1.00 12.79 C ATOM 1350 C ILE B 18 -2.208 16.849 30.661 1.00 13.34 C ATOM 1351 O ILE B 18 -3.423 16.761 30.484 1.00 13.87 O ATOM 1352 CB ILE B 18 -0.640 18.779 31.241 1.00 13.01 C ATOM 1353 CG1 ILE B 18 -0.320 19.808 32.327 1.00 12.75 C ATOM 1354 CG2 ILE B 18 -1.157 19.483 29.998 1.00 14.71 C ATOM 1355 CD1 ILE B 18 0.985 20.526 32.104 1.00 14.28 C ATOM 1356 H ILE B 18 -0.391 16.346 32.805 1.00 0.00 H ATOM 1357 N ARG B 19 -1.324 16.142 29.952 1.00 13.14 N ATOM 1358 CA ARG B 19 -1.797 15.220 28.906 1.00 13.85 C ATOM 1359 C ARG B 19 -2.384 13.932 29.490 1.00 13.00 C ATOM 1360 O ARG B 19 -3.086 13.181 28.802 1.00 13.49 O ATOM 1361 CB ARG B 19 -0.720 14.950 27.855 1.00 14.19 C ATOM 1362 CG ARG B 19 -0.668 16.024 26.794 1.00 15.63 C ATOM 1363 CD ARG B 19 0.686 16.081 26.105 1.00 17.37 C ATOM 1364 NE ARG B 19 0.790 17.253 25.233 1.00 18.62 N ATOM 1365 CZ ARG B 19 1.812 17.514 24.418 1.00 19.51 C ATOM 1366 NH1 ARG B 19 2.845 16.680 24.335 1.00 18.21 N ATOM 1367 NH2 ARG B 19 1.794 18.614 23.672 1.00 20.67 N ATOM 1368 HE ARG B 19 0.005 17.935 25.251 1.00 0.00 H ATOM 1369 HH12 ARG B 19 3.636 16.895 23.695 1.00 0.00 H ATOM 1370 HH11 ARG B 19 2.861 15.813 24.910 1.00 0.00 H ATOM 1371 HH22 ARG B 19 2.589 18.823 23.034 1.00 0.00 H ATOM 1372 HH21 ARG B 19 0.985 19.266 23.726 1.00 0.00 H ATOM 1373 H ARG B 19 -0.306 16.242 30.138 1.00 0.00 H ATOM 1374 N GLY B 20 -2.119 13.704 30.772 1.00 11.86 N ATOM 1375 CA GLY B 20 -2.740 12.615 31.511 1.00 11.47 C ATOM 1376 C GLY B 20 -4.219 12.863 31.783 1.00 12.48 C ATOM 1377 O GLY B 20 -4.933 11.958 32.233 1.00 12.67 O ATOM 1378 H GLY B 20 -1.445 14.325 31.264 1.00 0.00 H ATOM 1379 N GLY B 21 -4.672 14.087 31.511 1.00 12.69 N ATOM 1380 CA GLY B 21 -6.049 14.502 31.787 1.00 13.41 C ATOM 1381 C GLY B 21 -6.138 15.592 32.846 1.00 13.06 C ATOM 1382 O GLY B 21 -5.340 15.624 33.783 1.00 12.48 O ATOM 1383 H GLY B 21 -4.020 14.776 31.085 1.00 0.00 H ATOM 1384 N ARG B 22 -7.141 16.454 32.709 1.00 13.94 N ATOM 1385 CA ARG B 22 -7.254 17.698 33.486 1.00 14.51 C ATOM 1386 C ARG B 22 -8.474 17.726 34.415 1.00 15.27 C ATOM 1387 O ARG B 22 -8.945 18.804 34.807 1.00 15.36 O ATOM 1388 CB ARG B 22 -7.322 18.899 32.523 1.00 15.17 C ATOM 1389 CG ARG B 22 -6.152 19.014 31.549 1.00 14.60 C ATOM 1390 CD ARG B 22 -4.892 19.501 32.231 1.00 14.63 C ATOM 1391 NE ARG B 22 -5.027 20.875 32.714 1.00 15.12 N ATOM 1392 CZ ARG B 22 -4.162 21.484 33.521 1.00 14.78 C ATOM 1393 NH1 ARG B 22 -4.379 22.739 33.898 1.00 14.25 N ATOM 1394 NH2 ARG B 22 -3.087 20.843 33.963 1.00 13.48 N ATOM 1395 HE ARG B 22 -5.860 21.415 32.404 1.00 0.00 H ATOM 1396 HH12 ARG B 22 -3.704 23.217 34.529 1.00 0.00 H ATOM 1397 HH11 ARG B 22 -5.224 23.244 33.562 1.00 0.00 H ATOM 1398 HH22 ARG B 22 -2.416 21.326 34.593 1.00 0.00 H ATOM 1399 HH21 ARG B 22 -2.916 19.857 33.679 1.00 0.00 H ATOM 1400 H ARG B 22 -7.885 16.237 32.016 1.00 0.00 H ATOM 1401 N GLU B 23 -8.967 16.541 34.765 1.00 15.50 N ATOM 1402 CA GLU B 23 -10.131 16.373 35.640 1.00 16.52 C ATOM 1403 C GLU B 23 -10.018 17.051 37.011 1.00 15.73 C ATOM 1404 O GLU B 23 -11.032 17.408 37.625 1.00 16.25 O ATOM 1405 CB GLU B 23 -10.352 14.888 35.868 1.00 16.73 C ATOM 1406 CG GLU B 23 -11.688 14.560 36.459 1.00 20.25 C ATOM 1407 CD GLU B 23 -11.799 13.111 36.838 1.00 22.60 C ATOM 1408 OE1 GLU B 23 -11.216 12.256 36.128 1.00 24.07 O ATOM 1409 OE2 GLU B 23 -12.465 12.835 37.856 1.00 24.08 O ATOM 1410 H GLU B 23 -8.501 15.687 34.398 1.00 0.00 H ATOM 1411 N ASP B 24 -8.789 17.191 37.496 1.00 14.30 N ATOM 1412 CA ASP B 24 -8.528 17.744 38.815 1.00 13.86 C ATOM 1413 C ASP B 24 -7.920 19.146 38.730 1.00 14.37 C ATOM 1414 O ASP B 24 -7.318 19.607 39.688 1.00 14.09 O ATOM 1415 CB ASP B 24 -7.582 16.821 39.605 1.00 12.35 C ATOM 1416 CG ASP B 24 -8.180 15.456 39.877 1.00 11.78 C ATOM 1417 OD1 ASP B 24 -9.430 15.304 39.823 1.00 10.24 O ATOM 1418 OD2 ASP B 24 -7.386 14.531 40.148 1.00 9.98 O ATOM 1419 H ASP B 24 -7.983 16.894 36.910 1.00 0.00 H ATOM 1420 N GLN B 25 -8.086 19.826 37.598 1.00 15.45 N ATOM 1421 CA GLN B 25 -7.376 21.098 37.397 1.00 16.30 C ATOM 1422 C GLN B 25 -7.826 22.253 38.307 1.00 16.23 C ATOM 1423 O GLN B 25 -7.026 23.131 38.602 1.00 16.43 O ATOM 1424 CB GLN B 25 -7.315 21.512 35.920 1.00 17.63 C ATOM 1425 CG GLN B 25 -8.533 22.206 35.368 1.00 20.86 C ATOM 1426 CD GLN B 25 -8.223 23.019 34.115 1.00 25.57 C ATOM 1427 OE1 GLN B 25 -8.830 22.810 33.059 1.00 27.48 O ATOM 1428 NE2 GLN B 25 -7.277 23.954 34.228 1.00 27.23 N ATOM 1429 HE22 GLN B 25 -6.792 24.095 35.137 1.00 0.00 H ATOM 1430 HE21 GLN B 25 -7.025 24.541 33.407 1.00 0.00 H ATOM 1431 H GLN B 25 -8.717 19.459 36.857 1.00 0.00 H ATOM 1432 N ALA B 26 -9.082 22.252 38.759 1.00 16.23 N ATOM 1433 CA ALA B 26 -9.511 23.241 39.761 1.00 16.09 C ATOM 1434 C ALA B 26 -8.756 22.993 41.065 1.00 14.95 C ATOM 1435 O ALA B 26 -8.357 23.931 41.749 1.00 14.65 O ATOM 1436 CB ALA B 26 -11.023 23.180 39.993 1.00 16.54 C ATOM 1437 H ALA B 26 -9.760 21.549 38.402 1.00 0.00 H ATOM 1438 N LEU B 27 -8.552 21.717 41.388 1.00 13.52 N ATOM 1439 CA LEU B 27 -7.797 21.310 42.570 1.00 12.65 C ATOM 1440 C LEU B 27 -6.349 21.798 42.470 1.00 12.08 C ATOM 1441 O LEU B 27 -5.746 22.205 43.470 1.00 12.20 O ATOM 1442 CB LEU B 27 -7.829 19.788 42.685 1.00 12.58 C ATOM 1443 CG LEU B 27 -8.306 19.069 43.944 1.00 13.45 C ATOM 1444 CD1 LEU B 27 -9.118 19.957 44.885 1.00 13.84 C ATOM 1445 CD2 LEU B 27 -9.123 17.869 43.487 1.00 13.25 C ATOM 1446 H LEU B 27 -8.948 20.979 40.772 1.00 0.00 H ATOM 1447 N TYR B 28 -5.806 21.768 41.257 1.00 11.29 N ATOM 1448 CA TYR B 28 -4.436 22.224 41.009 1.00 10.75 C ATOM 1449 C TYR B 28 -4.297 23.728 41.189 1.00 11.49 C ATOM 1450 O TYR B 28 -3.260 24.186 41.654 1.00 11.49 O ATOM 1451 CB TYR B 28 -3.946 21.848 39.603 1.00 10.37 C ATOM 1452 CG TYR B 28 -3.967 20.374 39.237 1.00 8.28 C ATOM 1453 CD1 TYR B 28 -4.146 19.372 40.198 1.00 8.10 C ATOM 1454 CD2 TYR B 28 -3.783 19.987 37.906 1.00 7.15 C ATOM 1455 CE1 TYR B 28 -4.163 18.001 39.829 1.00 5.56 C ATOM 1456 CE2 TYR B 28 -3.793 18.652 37.534 1.00 7.36 C ATOM 1457 CZ TYR B 28 -3.976 17.664 38.486 1.00 5.59 C ATOM 1458 OH TYR B 28 -3.966 16.351 38.039 1.00 5.37 O ATOM 1459 HH TYR B 28 -4.106 15.741 38.806 1.00 0.00 H ATOM 1460 H TYR B 28 -6.371 21.410 40.460 1.00 0.00 H ATOM 1461 N ALA B 29 -5.315 24.493 40.794 1.00 12.28 N ATOM 1462 CA ALA B 29 -5.294 25.953 41.009 1.00 13.59 C ATOM 1463 C ALA B 29 -5.395 26.313 42.498 1.00 13.83 C ATOM 1464 O ALA B 29 -4.771 27.274 42.954 1.00 13.99 O ATOM 1465 CB ALA B 29 -6.393 26.652 40.200 1.00 14.49 C ATOM 1466 H ALA B 29 -6.135 24.055 40.328 1.00 0.00 H ATOM 1467 N ARG B 30 -6.177 25.542 43.252 1.00 13.67 N ATOM 1468 CA ARG B 30 -6.254 25.735 44.702 1.00 14.55 C ATOM 1469 C ARG B 30 -4.953 25.386 45.446 1.00 14.03 C ATOM 1470 O ARG B 30 -4.573 26.071 46.403 1.00 14.05 O ATOM 1471 CB ARG B 30 -7.440 24.975 45.276 1.00 14.88 C ATOM 1472 CG ARG B 30 -8.735 25.784 45.203 1.00 16.42 C ATOM 1473 CD ARG B 30 -9.930 24.908 44.889 1.00 18.33 C ATOM 1474 NE ARG B 30 -10.170 23.890 45.906 1.00 20.67 N ATOM 1475 CZ ARG B 30 -11.024 22.872 45.763 1.00 22.21 C ATOM 1476 NH1 ARG B 30 -11.725 22.721 44.639 1.00 22.07 N ATOM 1477 NH2 ARG B 30 -11.173 21.999 46.747 1.00 21.88 N ATOM 1478 HE ARG B 30 -9.643 23.961 46.800 1.00 0.00 H ATOM 1479 HH12 ARG B 30 -12.386 21.924 44.542 1.00 0.00 H ATOM 1480 HH11 ARG B 30 -11.611 23.400 43.860 1.00 0.00 H ATOM 1481 HH22 ARG B 30 -11.836 21.205 46.642 1.00 0.00 H ATOM 1482 HH21 ARG B 30 -10.627 22.107 47.625 1.00 0.00 H ATOM 1483 H ARG B 30 -6.741 24.792 42.804 1.00 0.00 H ATOM 1484 N ILE B 31 -4.279 24.328 44.995 1.00 13.47 N ATOM 1485 CA ILE B 31 -2.959 23.952 45.514 1.00 12.90 C ATOM 1486 C ILE B 31 -1.921 25.031 45.171 1.00 13.36 C ATOM 1487 O ILE B 31 -1.175 25.478 46.046 1.00 13.31 O ATOM 1488 CB ILE B 31 -2.530 22.538 45.022 1.00 12.17 C ATOM 1489 CG1 ILE B 31 -3.354 21.469 45.740 1.00 11.63 C ATOM 1490 CG2 ILE B 31 -1.027 22.294 45.252 1.00 12.07 C ATOM 1491 CD1 ILE B 31 -3.492 20.157 44.987 1.00 11.09 C ATOM 1492 H ILE B 31 -4.705 23.746 44.246 1.00 0.00 H ATOM 1493 N VAL B 32 -1.903 25.469 43.914 1.00 13.55 N ATOM 1494 CA VAL B 32 -0.931 26.478 43.461 1.00 14.13 C ATOM 1495 C VAL B 32 -1.100 27.825 44.196 1.00 15.20 C ATOM 1496 O VAL B 32 -0.102 28.420 44.612 1.00 15.42 O ATOM 1497 CB VAL B 32 -0.915 26.627 41.904 1.00 14.29 C ATOM 1498 CG1 VAL B 32 -0.263 27.942 41.455 1.00 15.74 C ATOM 1499 CG2 VAL B 32 -0.196 25.447 41.273 1.00 13.15 C ATOM 1500 H VAL B 32 -2.593 25.089 43.235 1.00 0.00 H ATOM 1501 N SER B 33 -2.348 28.262 44.393 1.00 15.62 N ATOM 1502 CA SER B 33 -2.651 29.490 45.139 1.00 16.99 C ATOM 1503 C SER B 33 -2.108 29.456 46.576 1.00 17.12 C ATOM 1504 O SER B 33 -1.669 30.473 47.096 1.00 17.84 O ATOM 1505 CB SER B 33 -4.168 29.768 45.179 1.00 17.56 C ATOM 1506 OG SER B 33 -4.761 29.708 43.891 1.00 17.57 O ATOM 1507 HG SER B 33 -4.624 28.806 43.508 1.00 0.00 H ATOM 1508 H SER B 33 -3.137 27.709 44.002 1.00 0.00 H ATOM 1509 N ARG B 34 -2.172 28.288 47.209 1.00 16.74 N ATOM 1510 CA ARG B 34 -1.757 28.119 48.604 1.00 17.44 C ATOM 1511 C ARG B 34 -0.245 27.934 48.740 1.00 17.19 C ATOM 1512 O ARG B 34 0.359 28.415 49.693 1.00 17.99 O ATOM 1513 CB ARG B 34 -2.492 26.944 49.252 1.00 16.74 C ATOM 1514 CG ARG B 34 -2.502 26.967 50.768 1.00 17.70 C ATOM 1515 CD ARG B 34 -3.589 27.880 51.307 1.00 20.35 C ATOM 1516 NE ARG B 34 -3.412 28.140 52.731 1.00 22.91 N ATOM 1517 CZ ARG B 34 -4.255 28.842 53.480 1.00 23.85 C ATOM 1518 NH1 ARG B 34 -5.352 29.366 52.947 1.00 25.16 N ATOM 1519 NH2 ARG B 34 -3.995 29.027 54.768 1.00 25.64 N ATOM 1520 HE ARG B 34 -2.566 27.748 53.193 1.00 0.00 H ATOM 1521 HH12 ARG B 34 -6.007 29.914 53.540 1.00 0.00 H ATOM 1522 HH11 ARG B 34 -5.556 29.228 51.937 1.00 0.00 H ATOM 1523 HH22 ARG B 34 -4.653 29.576 55.358 1.00 0.00 H ATOM 1524 HH21 ARG B 34 -3.134 28.623 55.188 1.00 0.00 H ATOM 1525 H ARG B 34 -2.532 27.460 46.692 1.00 0.00 H ATOM 1526 N LEU B 35 0.356 27.227 47.789 1.00 16.58 N ATOM 1527 CA LEU B 35 1.814 27.121 47.707 1.00 16.39 C ATOM 1528 C LEU B 35 2.453 28.511 47.640 1.00 17.41 C ATOM 1529 O LEU B 35 3.592 28.712 48.088 1.00 17.43 O ATOM 1530 CB LEU B 35 2.216 26.275 46.491 1.00 15.48 C ATOM 1531 CG LEU B 35 1.922 24.769 46.556 1.00 14.55 C ATOM 1532 CD1 LEU B 35 2.136 24.105 45.193 1.00 12.64 C ATOM 1533 CD2 LEU B 35 2.752 24.089 47.632 1.00 11.91 C ATOM 1534 H LEU B 35 -0.226 26.734 47.082 1.00 0.00 H ATOM 1535 N ARG B 36 1.698 29.470 47.099 1.00 18.26 N ATOM 1536 CA ARG B 36 2.123 30.866 47.025 1.00 19.79 C ATOM 1537 C ARG B 36 2.185 31.572 48.385 1.00 20.79 C ATOM 1538 O ARG B 36 2.711 32.683 48.471 1.00 21.33 O ATOM 1539 CB ARG B 36 1.256 31.671 46.043 1.00 20.28 C ATOM 1540 CG ARG B 36 1.390 31.286 44.583 1.00 20.45 C ATOM 1541 CD ARG B 36 1.080 32.475 43.686 1.00 22.46 C ATOM 1542 NE ARG B 36 0.450 32.082 42.427 1.00 22.73 N ATOM 1543 CZ ARG B 36 1.100 31.644 41.351 1.00 22.43 C ATOM 1544 NH1 ARG B 36 0.420 31.313 40.260 1.00 21.68 N ATOM 1545 NH2 ARG B 36 2.424 31.532 41.360 1.00 22.22 N ATOM 1546 HE ARG B 36 -0.586 32.150 42.367 1.00 0.00 H ATOM 1547 HH12 ARG B 36 0.924 30.970 39.417 1.00 0.00 H ATOM 1548 HH11 ARG B 36 -0.617 31.396 40.248 1.00 0.00 H ATOM 1549 HH22 ARG B 36 2.923 31.189 40.514 1.00 0.00 H ATOM 1550 HH21 ARG B 36 2.962 31.788 42.213 1.00 0.00 H ATOM 1551 H ARG B 36 0.767 29.212 46.714 1.00 0.00 H ATOM 1552 N ARG B 37 1.644 30.943 49.434 1.00 20.68 N ATOM 1553 CA ARG B 37 1.809 31.456 50.803 1.00 21.72 C ATOM 1554 C ARG B 37 3.170 31.035 51.364 1.00 21.15 C ATOM 1555 O ARG B 37 3.654 31.624 52.338 1.00 21.52 O ATOM 1556 CB ARG B 37 0.699 30.974 51.749 1.00 22.04 C ATOM 1557 CG ARG B 37 -0.722 31.336 51.353 1.00 24.01 C ATOM 1558 CD ARG B 37 -1.686 31.110 52.512 1.00 27.36 C ATOM 1559 NE ARG B 37 -3.085 31.248 52.104 1.00 29.13 N ATOM 1560 CZ ARG B 37 -3.843 32.321 52.311 1.00 31.43 C ATOM 1561 NH1 ARG B 37 -5.101 32.324 51.889 1.00 32.31 N ATOM 1562 NH2 ARG B 37 -3.355 33.392 52.931 1.00 33.46 N ATOM 1563 HE ARG B 37 -3.521 30.442 51.613 1.00 0.00 H ATOM 1564 HH12 ARG B 37 -5.700 33.159 52.047 1.00 0.00 H ATOM 1565 HH11 ARG B 37 -5.488 31.491 51.400 1.00 0.00 H ATOM 1566 HH22 ARG B 37 -3.960 34.224 53.086 1.00 0.00 H ATOM 1567 HH21 ARG B 37 -2.369 33.397 53.261 1.00 0.00 H ATOM 1568 H ARG B 37 1.095 30.073 49.279 1.00 0.00 H ATOM 1569 N TYR B 38 3.786 30.025 50.742 1.00 19.65 N ATOM 1570 CA TYR B 38 5.038 29.447 51.263 1.00 19.42 C ATOM 1571 C TYR B 38 6.269 29.579 50.357 1.00 19.26 C ATOM 1572 O TYR B 38 7.388 29.330 50.798 1.00 19.39 O ATOM 1573 CB TYR B 38 4.815 27.992 51.731 1.00 18.33 C ATOM 1574 CG TYR B 38 3.708 27.915 52.751 1.00 18.30 C ATOM 1575 CD1 TYR B 38 2.454 27.402 52.411 1.00 16.72 C ATOM 1576 CD2 TYR B 38 3.887 28.436 54.038 1.00 19.28 C ATOM 1577 CE1 TYR B 38 1.424 27.366 53.338 1.00 17.57 C ATOM 1578 CE2 TYR B 38 2.863 28.412 54.973 1.00 20.05 C ATOM 1579 CZ TYR B 38 1.635 27.880 54.617 1.00 19.45 C ATOM 1580 OH TYR B 38 0.621 27.858 55.539 1.00 19.61 O ATOM 1581 HH TYR B 38 -0.184 27.450 55.133 1.00 0.00 H ATOM 1582 H TYR B 38 3.372 29.638 49.870 1.00 0.00 H ATOM 1583 N GLY B 39 6.072 29.996 49.110 1.00 19.32 N ATOM 1584 CA GLY B 39 7.199 30.223 48.207 1.00 19.80 C ATOM 1585 C GLY B 39 6.820 30.616 46.789 1.00 19.91 C ATOM 1586 O GLY B 39 5.638 30.607 46.425 1.00 19.57 O ATOM 1587 H GLY B 39 5.103 30.163 48.772 1.00 0.00 H ATOM 1588 N LYS B 40 7.825 30.980 45.994 1.00 20.07 N ATOM 1589 CA LYS B 40 7.636 31.172 44.560 1.00 20.80 C ATOM 1590 C LYS B 40 7.314 29.826 43.907 1.00 19.70 C ATOM 1591 O LYS B 40 8.059 28.850 44.069 1.00 19.77 O ATOM 1592 CB LYS B 40 8.884 31.795 43.913 1.00 21.57 C ATOM 1593 CG LYS B 40 9.051 31.531 42.404 1.00 22.26 C ATOM 1594 CD LYS B 40 8.480 32.624 41.518 1.00 25.70 C ATOM 1595 CE LYS B 40 7.040 32.369 41.111 1.00 25.69 C ATOM 1596 NZ LYS B 40 6.309 33.653 40.894 1.00 25.72 N ATOM 1597 HZ1 LYS B 40 6.314 34.206 41.774 1.00 0.00 H ATOM 1598 HZ2 LYS B 40 6.778 34.194 40.140 1.00 0.00 H ATOM 1599 HZ3 LYS B 40 5.328 33.449 40.617 1.00 0.00 H ATOM 1600 H LYS B 40 8.768 31.131 46.406 1.00 0.00 H ATOM 1601 N VAL B 41 6.199 29.791 43.183 1.00 19.45 N ATOM 1602 CA VAL B 41 5.757 28.610 42.452 1.00 18.77 C ATOM 1603 C VAL B 41 6.292 28.652 41.019 1.00 19.18 C ATOM 1604 O VAL B 41 5.853 29.457 40.205 1.00 19.52 O ATOM 1605 CB VAL B 41 4.216 28.484 42.472 1.00 18.59 C ATOM 1606 CG1 VAL B 41 3.740 27.369 41.539 1.00 17.59 C ATOM 1607 CG2 VAL B 41 3.733 28.236 43.897 1.00 18.15 C ATOM 1608 H VAL B 41 5.613 30.649 43.136 1.00 0.00 H ATOM 1609 N LEU B 42 7.246 27.770 40.728 1.00 19.13 N ATOM 1610 CA LEU B 42 7.984 27.804 39.465 1.00 20.00 C ATOM 1611 C LEU B 42 7.161 27.470 38.219 1.00 20.37 C ATOM 1612 O LEU B 42 7.462 27.963 37.138 1.00 21.50 O ATOM 1613 CB LEU B 42 9.231 26.907 39.538 1.00 19.58 C ATOM 1614 CG LEU B 42 10.321 27.290 40.551 1.00 19.63 C ATOM 1615 CD1 LEU B 42 11.298 26.149 40.777 1.00 17.94 C ATOM 1616 CD2 LEU B 42 11.058 28.547 40.116 1.00 19.51 C ATOM 1617 H LEU B 42 7.475 27.031 41.423 1.00 0.00 H ATOM 1618 N THR B 43 6.126 26.646 38.365 1.00 20.23 N ATOM 1619 CA THR B 43 5.429 26.097 37.203 1.00 20.34 C ATOM 1620 C THR B 43 3.948 26.482 37.134 1.00 21.11 C ATOM 1621 O THR B 43 3.072 25.610 37.196 1.00 20.95 O ATOM 1622 CB THR B 43 5.541 24.564 37.179 1.00 19.55 C ATOM 1623 OG1 THR B 43 4.958 24.030 38.374 1.00 19.56 O ATOM 1624 CG2 THR B 43 6.996 24.128 37.089 1.00 18.93 C ATOM 1625 HG1 THR B 43 5.029 23.043 38.362 1.00 0.00 H ATOM 1626 H THR B 43 5.808 26.389 39.321 1.00 0.00 H TER 1627 THR B 43 ATOM 1628 N GLY B 61 7.924 22.071 20.617 1.00 27.19 N ATOM 1629 CA GLY B 61 9.205 22.128 21.304 1.00 26.32 C ATOM 1630 C GLY B 61 9.159 21.409 22.637 1.00 24.62 C ATOM 1631 O GLY B 61 9.369 22.023 23.682 1.00 23.33 O ATOM 1632 HN3 GLY B 61 7.195 22.521 21.207 1.00 0.00 H ATOM 1633 HN2 GLY B 61 7.668 21.078 20.445 1.00 0.00 H ATOM 1634 HN1 GLY B 61 7.996 22.574 19.709 1.00 0.00 H ATOM 1635 N ASP B 62 8.867 20.110 22.592 1.00 24.01 N ATOM 1636 CA ASP B 62 8.892 19.256 23.779 1.00 23.07 C ATOM 1637 C ASP B 62 10.269 19.269 24.432 1.00 22.42 C ATOM 1638 O ASP B 62 10.385 19.237 25.663 1.00 21.37 O ATOM 1639 CB ASP B 62 8.472 17.822 23.424 1.00 23.17 C ATOM 1640 CG ASP B 62 6.973 17.698 23.141 1.00 24.33 C ATOM 1641 OD1 ASP B 62 6.536 16.619 22.684 1.00 25.58 O ATOM 1642 OD2 ASP B 62 6.228 18.672 23.379 1.00 24.59 O ATOM 1643 H ASP B 62 8.611 19.687 21.677 1.00 0.00 H ATOM 1644 N GLN B 63 11.297 19.323 23.589 1.00 23.31 N ATOM 1645 CA GLN B 63 12.691 19.427 24.005 1.00 23.57 C ATOM 1646 C GLN B 63 12.926 20.619 24.932 1.00 23.44 C ATOM 1647 O GLN B 63 13.521 20.475 26.000 1.00 22.59 O ATOM 1648 CB GLN B 63 13.591 19.550 22.773 1.00 25.30 C ATOM 1649 CG GLN B 63 13.681 18.290 21.917 1.00 25.59 C ATOM 1650 CD GLN B 63 14.426 17.168 22.606 1.00 24.43 C ATOM 1651 OE1 GLN B 63 15.373 17.402 23.357 1.00 23.53 O ATOM 1652 NE2 GLN B 63 13.994 15.937 22.360 1.00 24.45 N ATOM 1653 HE22 GLN B 63 13.190 15.787 21.718 1.00 0.00 H ATOM 1654 HE21 GLN B 63 14.460 15.123 22.809 1.00 0.00 H ATOM 1655 H GLN B 63 11.094 19.289 22.570 1.00 0.00 H ATOM 1656 N PHE B 64 12.455 21.793 24.515 1.00 24.35 N ATOM 1657 CA PHE B 64 12.556 23.002 25.328 1.00 24.57 C ATOM 1658 C PHE B 64 11.721 22.902 26.610 1.00 22.95 C ATOM 1659 O PHE B 64 12.144 23.387 27.656 1.00 22.81 O ATOM 1660 CB PHE B 64 12.177 24.255 24.515 1.00 26.35 C ATOM 1661 CG PHE B 64 11.919 25.483 25.360 1.00 27.63 C ATOM 1662 CD1 PHE B 64 12.943 26.062 26.111 1.00 28.97 C ATOM 1663 CD2 PHE B 64 10.649 26.052 25.410 1.00 29.01 C ATOM 1664 CE1 PHE B 64 12.705 27.193 26.900 1.00 29.26 C ATOM 1665 CE2 PHE B 64 10.403 27.182 26.191 1.00 30.59 C ATOM 1666 CZ PHE B 64 11.434 27.753 26.937 1.00 30.15 C ATOM 1667 H PHE B 64 12.001 21.851 23.581 1.00 0.00 H ATOM 1668 N ILE B 65 10.547 22.272 26.528 1.00 22.04 N ATOM 1669 CA ILE B 65 9.685 22.110 27.707 1.00 20.34 C ATOM 1670 C ILE B 65 10.358 21.246 28.778 1.00 18.67 C ATOM 1671 O ILE B 65 10.361 21.592 29.960 1.00 18.00 O ATOM 1672 CB ILE B 65 8.283 21.570 27.334 1.00 20.36 C ATOM 1673 CG1 ILE B 65 7.422 22.706 26.776 1.00 21.37 C ATOM 1674 CG2 ILE B 65 7.600 20.929 28.544 1.00 19.04 C ATOM 1675 CD1 ILE B 65 6.308 22.241 25.865 1.00 22.20 C ATOM 1676 H ILE B 65 10.237 21.889 25.612 1.00 0.00 H ATOM 1677 N HIS B 66 10.936 20.128 28.351 1.00 18.17 N ATOM 1678 CA HIS B 66 11.702 19.269 29.248 1.00 17.02 C ATOM 1679 C HIS B 66 12.890 20.028 29.866 1.00 17.37 C ATOM 1680 O HIS B 66 13.093 19.980 31.082 1.00 16.36 O ATOM 1681 CB HIS B 66 12.151 18.012 28.501 1.00 16.75 C ATOM 1682 CG HIS B 66 13.082 17.138 29.279 1.00 16.10 C ATOM 1683 ND1 HIS B 66 14.444 17.344 29.307 1.00 16.46 N ATOM 1684 CD2 HIS B 66 12.850 16.039 30.035 1.00 14.21 C ATOM 1685 CE1 HIS B 66 15.009 16.419 30.061 1.00 15.23 C ATOM 1686 NE2 HIS B 66 14.065 15.612 30.511 1.00 12.84 N ATOM 1687 H HIS B 66 10.840 19.858 27.351 1.00 0.00 H ATOM 1688 N GLU B 67 13.651 20.738 29.033 1.00 18.32 N ATOM 1689 CA GLU B 67 14.812 21.506 29.509 1.00 19.15 C ATOM 1690 C GLU B 67 14.420 22.577 30.527 1.00 18.56 C ATOM 1691 O GLU B 67 15.038 22.685 31.587 1.00 18.17 O ATOM 1692 CB GLU B 67 15.588 22.133 28.344 1.00 20.53 C ATOM 1693 CG GLU B 67 17.073 22.340 28.648 1.00 22.14 C ATOM 1694 CD GLU B 67 17.823 23.042 27.535 1.00 25.17 C ATOM 1695 OE1 GLU B 67 17.451 24.182 27.179 1.00 26.51 O ATOM 1696 OE2 GLU B 67 18.804 22.459 27.027 1.00 26.75 O ATOM 1697 H GLU B 67 13.418 20.749 28.020 1.00 0.00 H ATOM 1698 N GLN B 68 13.379 23.345 30.218 1.00 18.44 N ATOM 1699 CA GLN B 68 12.942 24.433 31.095 1.00 18.06 C ATOM 1700 C GLN B 68 12.527 23.908 32.483 1.00 16.41 C ATOM 1701 O GLN B 68 12.991 24.404 33.506 1.00 16.15 O ATOM 1702 CB GLN B 68 11.816 25.247 30.434 1.00 18.71 C ATOM 1703 CG GLN B 68 11.299 26.408 31.277 1.00 19.30 C ATOM 1704 CD GLN B 68 10.343 27.320 30.524 1.00 20.75 C ATOM 1705 OE1 GLN B 68 10.611 28.511 30.360 1.00 21.38 O ATOM 1706 NE2 GLN B 68 9.219 26.764 30.068 1.00 19.96 N ATOM 1707 HE22 GLN B 68 9.036 25.753 30.231 1.00 0.00 H ATOM 1708 HE21 GLN B 68 8.526 27.341 29.550 1.00 0.00 H ATOM 1709 H GLN B 68 12.863 23.169 29.332 1.00 0.00 H ATOM 1710 N ASN B 69 11.670 22.892 32.498 1.00 15.01 N ATOM 1711 CA ASN B 69 11.188 22.282 33.732 1.00 13.68 C ATOM 1712 C ASN B 69 12.269 21.579 34.567 1.00 12.53 C ATOM 1713 O ASN B 69 12.198 21.576 35.797 1.00 11.16 O ATOM 1714 CB ASN B 69 10.062 21.300 33.420 1.00 13.57 C ATOM 1715 CG ASN B 69 8.762 21.991 33.052 1.00 14.71 C ATOM 1716 OD1 ASN B 69 8.624 23.214 33.161 1.00 17.76 O ATOM 1717 ND2 ASN B 69 7.801 21.208 32.605 1.00 17.16 N ATOM 1718 HD22 ASN B 69 7.959 20.183 32.529 1.00 0.00 H ATOM 1719 HD21 ASN B 69 6.885 21.615 32.328 1.00 0.00 H ATOM 1720 H ASN B 69 11.328 22.516 31.591 1.00 0.00 H ATOM 1721 N LEU B 70 13.257 20.989 33.895 1.00 12.26 N ATOM 1722 CA LEU B 70 14.377 20.339 34.579 1.00 12.32 C ATOM 1723 C LEU B 70 15.239 21.398 35.269 1.00 12.92 C ATOM 1724 O LEU B 70 15.639 21.232 36.425 1.00 12.44 O ATOM 1725 CB LEU B 70 15.227 19.525 33.593 1.00 12.59 C ATOM 1726 CG LEU B 70 15.718 18.108 33.944 1.00 13.52 C ATOM 1727 CD1 LEU B 70 16.512 18.037 35.233 1.00 12.66 C ATOM 1728 CD2 LEU B 70 14.555 17.093 33.983 1.00 12.17 C ATOM 1729 H LEU B 70 13.232 20.990 32.855 1.00 0.00 H ATOM 1730 N ASN B 71 15.520 22.485 34.556 1.00 13.69 N ATOM 1731 CA ASN B 71 16.202 23.632 35.149 1.00 14.96 C ATOM 1732 C ASN B 71 15.494 24.173 36.394 1.00 14.02 C ATOM 1733 O ASN B 71 16.153 24.589 37.346 1.00 14.46 O ATOM 1734 CB ASN B 71 16.410 24.741 34.114 1.00 16.54 C ATOM 1735 CG ASN B 71 17.608 24.483 33.217 1.00 19.29 C ATOM 1736 OD1 ASN B 71 18.702 24.174 33.693 1.00 23.29 O ATOM 1737 ND2 ASN B 71 17.413 24.629 31.910 1.00 22.14 N ATOM 1738 HD22 ASN B 71 16.473 24.891 31.551 1.00 0.00 H ATOM 1739 HD21 ASN B 71 18.201 24.481 31.247 1.00 0.00 H ATOM 1740 H ASN B 71 15.248 22.519 33.553 1.00 0.00 H ATOM 1741 N TRP B 72 14.159 24.145 36.383 1.00 13.12 N ATOM 1742 CA TRP B 72 13.347 24.563 37.536 1.00 12.74 C ATOM 1743 C TRP B 72 13.368 23.513 38.651 1.00 11.52 C ATOM 1744 O TRP B 72 13.530 23.852 39.828 1.00 11.90 O ATOM 1745 CB TRP B 72 11.895 24.880 37.125 1.00 12.40 C ATOM 1746 CG TRP B 72 11.691 26.199 36.376 1.00 14.23 C ATOM 1747 CD1 TRP B 72 12.438 27.346 36.493 1.00 16.30 C ATOM 1748 CD2 TRP B 72 10.636 26.508 35.453 1.00 15.89 C ATOM 1749 NE1 TRP B 72 11.929 28.330 35.682 1.00 17.66 N ATOM 1750 CE2 TRP B 72 10.819 27.850 35.040 1.00 17.97 C ATOM 1751 CE3 TRP B 72 9.553 25.785 34.938 1.00 17.04 C ATOM 1752 CZ2 TRP B 72 9.970 28.473 34.121 1.00 18.85 C ATOM 1753 CZ3 TRP B 72 8.704 26.406 34.028 1.00 18.41 C ATOM 1754 CH2 TRP B 72 8.917 27.742 33.633 1.00 19.00 C ATOM 1755 HE1 TRP B 72 12.323 29.286 35.573 1.00 0.00 H ATOM 1756 H TRP B 72 13.674 23.814 35.525 1.00 0.00 H ATOM 1757 N LEU B 73 13.221 22.242 38.280 1.00 10.56 N ATOM 1758 CA LEU B 73 13.303 21.137 39.246 1.00 9.61 C ATOM 1759 C LEU B 73 14.651 21.152 39.976 1.00 10.07 C ATOM 1760 O LEU B 73 14.714 21.046 41.204 1.00 9.86 O ATOM 1761 CB LEU B 73 13.068 19.793 38.540 1.00 9.06 C ATOM 1762 CG LEU B 73 12.541 18.603 39.355 1.00 8.73 C ATOM 1763 CD1 LEU B 73 11.134 18.828 39.869 1.00 9.88 C ATOM 1764 CD2 LEU B 73 12.601 17.322 38.542 1.00 10.21 C ATOM 1765 H LEU B 73 13.043 22.025 37.278 1.00 0.00 H ATOM 1766 N GLN B 74 15.730 21.327 39.221 1.00 10.77 N ATOM 1767 CA GLN B 74 17.081 21.361 39.801 1.00 11.69 C ATOM 1768 C GLN B 74 17.276 22.515 40.804 1.00 12.77 C ATOM 1769 O GLN B 74 18.053 22.388 41.755 1.00 12.87 O ATOM 1770 CB GLN B 74 18.140 21.386 38.690 1.00 12.15 C ATOM 1771 CG GLN B 74 18.111 20.145 37.776 1.00 11.46 C ATOM 1772 CD GLN B 74 18.942 20.292 36.506 1.00 12.33 C ATOM 1773 OE1 GLN B 74 19.305 19.298 35.875 1.00 10.66 O ATOM 1774 NE2 GLN B 74 19.252 21.530 36.131 1.00 11.20 N ATOM 1775 HE22 GLN B 74 18.925 22.341 36.694 1.00 0.00 H ATOM 1776 HE21 GLN B 74 19.822 21.687 35.275 1.00 0.00 H ATOM 1777 H GLN B 74 15.616 21.443 38.194 1.00 0.00 H ATOM 1778 N GLN B 75 16.552 23.620 40.601 1.00 13.87 N ATOM 1779 CA GLN B 75 16.679 24.814 41.449 1.00 15.35 C ATOM 1780 C GLN B 75 15.680 24.835 42.609 1.00 15.25 C ATOM 1781 O GLN B 75 15.851 25.603 43.562 1.00 16.07 O ATOM 1782 CB GLN B 75 16.458 26.090 40.630 1.00 16.37 C ATOM 1783 CG GLN B 75 17.567 26.496 39.709 1.00 18.51 C ATOM 1784 CD GLN B 75 17.118 27.629 38.806 1.00 20.90 C ATOM 1785 OE1 GLN B 75 16.260 27.441 37.941 1.00 20.99 O ATOM 1786 NE2 GLN B 75 17.671 28.817 39.021 1.00 21.21 N ATOM 1787 HE22 GLN B 75 18.392 28.929 39.762 1.00 0.00 H ATOM 1788 HE21 GLN B 75 17.383 29.636 38.448 1.00 0.00 H ATOM 1789 H GLN B 75 15.873 23.636 39.813 1.00 0.00 H ATOM 1790 N ALA B 76 14.632 24.017 42.513 1.00 14.41 N ATOM 1791 CA ALA B 76 13.563 23.993 43.516 1.00 14.14 C ATOM 1792 C ALA B 76 14.046 23.601 44.916 1.00 14.55 C ATOM 1793 O ALA B 76 14.968 22.786 45.076 1.00 14.75 O ATOM 1794 CB ALA B 76 12.435 23.071 43.071 1.00 13.21 C ATOM 1795 H ALA B 76 14.570 23.373 41.698 1.00 0.00 H ATOM 1796 N ASP B 77 13.413 24.186 45.926 1.00 14.77 N ATOM 1797 CA ASP B 77 13.682 23.840 47.319 1.00 15.05 C ATOM 1798 C ASP B 77 12.736 22.716 47.787 1.00 14.27 C ATOM 1799 O ASP B 77 13.100 21.883 48.619 1.00 13.75 O ATOM 1800 CB ASP B 77 13.565 25.089 48.204 1.00 16.28 C ATOM 1801 CG ASP B 77 14.469 26.226 47.738 1.00 18.29 C ATOM 1802 OD1 ASP B 77 15.713 26.040 47.715 1.00 17.48 O ATOM 1803 OD2 ASP B 77 13.938 27.315 47.413 1.00 20.40 O ATOM 1804 H ASP B 77 12.701 24.915 45.718 1.00 0.00 H ATOM 1805 N VAL B 78 11.523 22.703 47.241 1.00 13.38 N ATOM 1806 CA VAL B 78 10.563 21.636 47.507 1.00 12.61 C ATOM 1807 C VAL B 78 9.730 21.339 46.252 1.00 11.82 C ATOM 1808 O VAL B 78 9.430 22.227 45.460 1.00 12.08 O ATOM 1809 CB VAL B 78 9.657 21.932 48.752 1.00 13.42 C ATOM 1810 CG1 VAL B 78 8.962 23.272 48.619 1.00 14.05 C ATOM 1811 CG2 VAL B 78 8.626 20.811 48.978 1.00 11.08 C ATOM 1812 H VAL B 78 11.250 23.478 46.604 1.00 0.00 H ATOM 1813 N VAL B 79 9.389 20.070 46.081 1.00 11.34 N ATOM 1814 CA VAL B 79 8.594 19.606 44.959 1.00 10.72 C ATOM 1815 C VAL B 79 7.282 19.105 45.546 1.00 10.66 C ATOM 1816 O VAL B 79 7.284 18.288 46.475 1.00 11.05 O ATOM 1817 CB VAL B 79 9.297 18.434 44.223 1.00 10.82 C ATOM 1818 CG1 VAL B 79 8.494 17.993 42.996 1.00 9.53 C ATOM 1819 CG2 VAL B 79 10.737 18.810 43.840 1.00 10.82 C ATOM 1820 H VAL B 79 9.706 19.373 46.785 1.00 0.00 H ATOM 1821 N VAL B 80 6.170 19.620 45.027 1.00 10.48 N ATOM 1822 CA VAL B 80 4.842 19.163 45.430 1.00 9.70 C ATOM 1823 C VAL B 80 4.097 18.572 44.225 1.00 9.54 C ATOM 1824 O VAL B 80 4.018 19.188 43.160 1.00 10.44 O ATOM 1825 CB VAL B 80 4.008 20.308 46.055 1.00 9.91 C ATOM 1826 CG1 VAL B 80 2.576 19.857 46.303 1.00 8.66 C ATOM 1827 CG2 VAL B 80 4.644 20.815 47.359 1.00 10.13 C ATOM 1828 H VAL B 80 6.249 20.371 44.312 1.00 0.00 H ATOM 1829 N ALA B 81 3.533 17.384 44.386 1.00 8.91 N ATOM 1830 CA ALA B 81 2.833 16.759 43.270 1.00 8.01 C ATOM 1831 C ALA B 81 1.455 16.257 43.664 1.00 7.42 C ATOM 1832 O ALA B 81 1.300 15.642 44.703 1.00 7.22 O ATOM 1833 CB ALA B 81 3.672 15.628 42.685 1.00 7.27 C ATOM 1834 H ALA B 81 3.589 16.899 45.304 1.00 0.00 H ATOM 1835 N GLU B 82 0.456 16.548 42.837 1.00 7.77 N ATOM 1836 CA GLU B 82 -0.881 16.001 43.032 1.00 7.29 C ATOM 1837 C GLU B 82 -0.923 14.765 42.148 1.00 6.71 C ATOM 1838 O GLU B 82 -0.819 14.857 40.918 1.00 7.02 O ATOM 1839 CB GLU B 82 -1.970 17.017 42.653 1.00 7.64 C ATOM 1840 CG GLU B 82 -3.300 16.871 43.427 1.00 7.59 C ATOM 1841 CD GLU B 82 -4.047 15.591 43.114 1.00 9.51 C ATOM 1842 OE1 GLU B 82 -4.846 15.131 43.951 1.00 10.31 O ATOM 1843 OE2 GLU B 82 -3.819 15.024 42.034 1.00 10.90 O ATOM 1844 H GLU B 82 0.633 17.181 42.031 1.00 0.00 H ATOM 1845 N VAL B 83 -1.033 13.601 42.777 1.00 6.40 N ATOM 1846 CA VAL B 83 -0.790 12.343 42.067 1.00 5.79 C ATOM 1847 C VAL B 83 -2.046 11.468 41.929 1.00 6.17 C ATOM 1848 O VAL B 83 -1.955 10.254 41.758 1.00 5.67 O ATOM 1849 CB VAL B 83 0.409 11.562 42.678 1.00 5.61 C ATOM 1850 CG1 VAL B 83 1.712 12.360 42.520 1.00 4.86 C ATOM 1851 CG2 VAL B 83 0.161 11.220 44.170 1.00 5.63 C ATOM 1852 H VAL B 83 -1.294 13.582 43.783 1.00 0.00 H ATOM 1853 N THR B 84 -3.221 12.088 41.985 1.00 5.97 N ATOM 1854 CA THR B 84 -4.470 11.332 41.828 1.00 5.75 C ATOM 1855 C THR B 84 -4.669 10.853 40.384 1.00 5.52 C ATOM 1856 O THR B 84 -4.914 9.658 40.134 1.00 5.00 O ATOM 1857 CB THR B 84 -5.678 12.161 42.273 1.00 6.13 C ATOM 1858 OG1 THR B 84 -5.430 12.685 43.580 1.00 6.63 O ATOM 1859 CG2 THR B 84 -6.925 11.310 42.335 1.00 6.62 C ATOM 1860 HG1 THR B 84 -4.623 13.258 43.557 1.00 0.00 H ATOM 1861 H THR B 84 -3.256 13.116 42.141 1.00 0.00 H ATOM 1862 N GLN B 85 -4.589 11.794 39.450 1.00 5.69 N ATOM 1863 CA GLN B 85 -4.713 11.512 38.025 1.00 6.33 C ATOM 1864 C GLN B 85 -3.382 10.991 37.502 1.00 6.12 C ATOM 1865 O GLN B 85 -2.377 11.722 37.552 1.00 5.64 O ATOM 1866 CB GLN B 85 -5.089 12.788 37.262 1.00 7.11 C ATOM 1867 CG GLN B 85 -5.394 12.557 35.781 1.00 7.95 C ATOM 1868 CD GLN B 85 -6.752 11.876 35.538 1.00 9.37 C ATOM 1869 OE1 GLN B 85 -7.032 11.401 34.433 1.00 11.64 O ATOM 1870 NE2 GLN B 85 -7.599 11.848 36.558 1.00 8.31 N ATOM 1871 HE22 GLN B 85 -7.325 12.259 37.473 1.00 0.00 H ATOM 1872 HE21 GLN B 85 -8.537 11.415 36.443 1.00 0.00 H ATOM 1873 H GLN B 85 -4.431 12.777 39.749 1.00 0.00 H ATOM 1874 N PRO B 86 -3.351 9.726 37.027 1.00 5.44 N ATOM 1875 CA PRO B 86 -2.085 9.190 36.510 1.00 4.70 C ATOM 1876 C PRO B 86 -1.536 9.969 35.323 1.00 4.56 C ATOM 1877 O PRO B 86 -2.283 10.379 34.428 1.00 4.90 O ATOM 1878 CB PRO B 86 -2.445 7.754 36.097 1.00 4.53 C ATOM 1879 CG PRO B 86 -3.625 7.401 36.987 1.00 5.19 C ATOM 1880 CD PRO B 86 -4.399 8.688 37.088 1.00 6.16 C ATOM 1881 N SER B 87 -0.222 10.157 35.330 1.00 4.15 N ATOM 1882 CA SER B 87 0.442 11.018 34.386 1.00 4.53 C ATOM 1883 C SER B 87 1.920 10.672 34.317 1.00 4.43 C ATOM 1884 O SER B 87 2.586 10.567 35.345 1.00 4.52 O ATOM 1885 CB SER B 87 0.270 12.486 34.792 1.00 4.51 C ATOM 1886 OG SER B 87 1.324 13.238 34.237 1.00 4.44 O ATOM 1887 HG SER B 87 2.188 12.895 34.577 1.00 0.00 H ATOM 1888 H SER B 87 0.350 9.663 36.045 1.00 0.00 H ATOM 1889 N LEU B 88 2.409 10.485 33.095 1.00 5.06 N ATOM 1890 CA LEU B 88 3.820 10.206 32.814 1.00 5.38 C ATOM 1891 C LEU B 88 4.718 11.335 33.297 1.00 5.12 C ATOM 1892 O LEU B 88 5.751 11.106 33.935 1.00 5.14 O ATOM 1893 CB LEU B 88 4.001 10.009 31.299 1.00 6.29 C ATOM 1894 CG LEU B 88 4.082 8.646 30.610 1.00 7.92 C ATOM 1895 CD1 LEU B 88 3.663 7.503 31.481 1.00 5.06 C ATOM 1896 CD2 LEU B 88 3.324 8.647 29.261 1.00 7.09 C ATOM 1897 H LEU B 88 1.751 10.540 32.291 1.00 0.00 H ATOM 1898 N GLY B 89 4.309 12.564 33.009 1.00 4.85 N ATOM 1899 CA GLY B 89 5.150 13.721 33.289 1.00 4.59 C ATOM 1900 C GLY B 89 5.333 13.950 34.777 1.00 4.26 C ATOM 1901 O GLY B 89 6.434 14.279 35.244 1.00 4.04 O ATOM 1902 H GLY B 89 3.374 12.704 32.577 1.00 0.00 H ATOM 1903 N VAL B 90 4.243 13.778 35.521 1.00 3.97 N ATOM 1904 CA VAL B 90 4.279 13.865 36.974 1.00 3.68 C ATOM 1905 C VAL B 90 5.170 12.792 37.596 1.00 3.87 C ATOM 1906 O VAL B 90 5.934 13.074 38.526 1.00 3.37 O ATOM 1907 CB VAL B 90 2.869 13.789 37.579 1.00 3.43 C ATOM 1908 CG1 VAL B 90 2.942 13.762 39.116 1.00 3.18 C ATOM 1909 CG2 VAL B 90 2.062 14.993 37.111 1.00 3.92 C ATOM 1910 H VAL B 90 3.338 13.575 35.050 1.00 0.00 H ATOM 1911 N GLY B 91 5.050 11.557 37.107 1.00 3.55 N ATOM 1912 CA GLY B 91 5.936 10.483 37.563 1.00 3.91 C ATOM 1913 C GLY B 91 7.383 10.780 37.214 1.00 4.72 C ATOM 1914 O GLY B 91 8.288 10.627 38.047 1.00 4.82 O ATOM 1915 H GLY B 91 4.320 11.354 36.395 1.00 0.00 H ATOM 1916 N TYR B 92 7.593 11.201 35.971 1.00 5.61 N ATOM 1917 CA TYR B 92 8.910 11.597 35.477 1.00 5.37 C ATOM 1918 C TYR B 92 9.558 12.726 36.289 1.00 5.26 C ATOM 1919 O TYR B 92 10.752 12.667 36.564 1.00 5.78 O ATOM 1920 CB TYR B 92 8.865 11.937 33.981 1.00 5.11 C ATOM 1921 CG TYR B 92 10.230 12.277 33.402 1.00 6.42 C ATOM 1922 CD1 TYR B 92 11.105 11.274 32.986 1.00 4.96 C ATOM 1923 CD2 TYR B 92 10.647 13.612 33.283 1.00 5.06 C ATOM 1924 CE1 TYR B 92 12.370 11.593 32.453 1.00 5.48 C ATOM 1925 CE2 TYR B 92 11.903 13.939 32.777 1.00 5.58 C ATOM 1926 CZ TYR B 92 12.755 12.934 32.367 1.00 5.79 C ATOM 1927 OH TYR B 92 13.994 13.257 31.860 1.00 6.40 O ATOM 1928 HH TYR B 92 13.883 13.825 31.057 1.00 0.00 H ATOM 1929 H TYR B 92 6.783 11.251 35.320 1.00 0.00 H ATOM 1930 N GLU B 93 8.789 13.743 36.666 1.00 5.83 N ATOM 1931 CA GLU B 93 9.321 14.831 37.486 1.00 5.78 C ATOM 1932 C GLU B 93 9.682 14.350 38.901 1.00 6.01 C ATOM 1933 O GLU B 93 10.734 14.711 39.427 1.00 6.29 O ATOM 1934 CB GLU B 93 8.345 16.021 37.538 1.00 6.11 C ATOM 1935 CG GLU B 93 8.200 16.784 36.221 1.00 7.09 C ATOM 1936 CD GLU B 93 6.902 17.585 36.137 1.00 6.96 C ATOM 1937 OE1 GLU B 93 6.880 18.609 35.436 1.00 8.79 O ATOM 1938 OE2 GLU B 93 5.907 17.206 36.778 1.00 7.40 O ATOM 1939 H GLU B 93 7.791 13.765 36.373 1.00 0.00 H ATOM 1940 N LEU B 94 8.818 13.516 39.498 1.00 5.74 N ATOM 1941 CA LEU B 94 9.085 12.896 40.800 1.00 5.28 C ATOM 1942 C LEU B 94 10.366 12.038 40.794 1.00 5.13 C ATOM 1943 O LEU B 94 11.226 12.203 41.669 1.00 4.71 O ATOM 1944 CB LEU B 94 7.866 12.096 41.297 1.00 5.26 C ATOM 1945 CG LEU B 94 6.622 12.893 41.746 1.00 4.68 C ATOM 1946 CD1 LEU B 94 5.419 11.962 41.997 1.00 4.02 C ATOM 1947 CD2 LEU B 94 6.875 13.814 42.974 1.00 5.18 C ATOM 1948 H LEU B 94 7.921 13.300 39.018 1.00 0.00 H ATOM 1949 N GLY B 95 10.499 11.150 39.801 1.00 4.81 N ATOM 1950 CA GLY B 95 11.755 10.383 39.583 1.00 4.23 C ATOM 1951 C GLY B 95 13.049 11.204 39.498 1.00 4.81 C ATOM 1952 O GLY B 95 14.073 10.845 40.114 1.00 4.35 O ATOM 1953 H GLY B 95 9.696 10.991 39.159 1.00 0.00 H ATOM 1954 N ARG B 96 13.019 12.309 38.750 1.00 4.59 N ATOM 1955 CA ARG B 96 14.212 13.157 38.602 1.00 5.09 C ATOM 1956 C ARG B 96 14.483 13.944 39.888 1.00 5.51 C ATOM 1957 O ARG B 96 15.638 14.190 40.246 1.00 5.35 O ATOM 1958 CB ARG B 96 14.080 14.138 37.423 1.00 6.02 C ATOM 1959 CG ARG B 96 13.996 13.530 36.010 1.00 6.57 C ATOM 1960 CD ARG B 96 15.253 12.730 35.625 1.00 7.93 C ATOM 1961 NE ARG B 96 16.476 13.524 35.593 1.00 9.56 N ATOM 1962 CZ ARG B 96 16.999 14.083 34.503 1.00 11.84 C ATOM 1963 NH1 ARG B 96 18.120 14.787 34.601 1.00 12.10 N ATOM 1964 NH2 ARG B 96 16.405 13.960 33.314 1.00 12.87 N ATOM 1965 HE ARG B 96 16.979 13.665 36.492 1.00 0.00 H ATOM 1966 HH12 ARG B 96 18.534 15.226 33.754 1.00 0.00 H ATOM 1967 HH11 ARG B 96 18.584 14.899 35.525 1.00 0.00 H ATOM 1968 HH22 ARG B 96 16.827 14.403 32.473 1.00 0.00 H ATOM 1969 HH21 ARG B 96 15.520 13.421 33.228 1.00 0.00 H ATOM 1970 H ARG B 96 12.139 12.575 38.264 1.00 0.00 H ATOM 1971 N ALA B 97 13.398 14.353 40.554 1.00 4.78 N ATOM 1972 CA ALA B 97 13.482 15.091 41.812 1.00 4.96 C ATOM 1973 C ALA B 97 14.029 14.240 42.952 1.00 5.00 C ATOM 1974 O ALA B 97 14.866 14.714 43.709 1.00 5.42 O ATOM 1975 CB ALA B 97 12.128 15.694 42.180 1.00 5.15 C ATOM 1976 H ALA B 97 12.459 14.138 40.162 1.00 0.00 H ATOM 1977 N VAL B 98 13.587 12.978 43.054 1.00 5.00 N ATOM 1978 CA VAL B 98 14.104 12.064 44.094 1.00 5.86 C ATOM 1979 C VAL B 98 15.615 11.841 43.959 1.00 6.56 C ATOM 1980 O VAL B 98 16.354 11.924 44.941 1.00 6.62 O ATOM 1981 CB VAL B 98 13.418 10.668 44.071 1.00 5.39 C ATOM 1982 CG1 VAL B 98 14.059 9.744 45.118 1.00 7.55 C ATOM 1983 CG2 VAL B 98 11.936 10.792 44.353 1.00 6.30 C ATOM 1984 H VAL B 98 12.866 12.635 42.388 1.00 0.00 H ATOM 1985 N ALA B 99 16.067 11.522 42.744 1.00 7.03 N ATOM 1986 CA ALA B 99 17.498 11.335 42.487 1.00 7.61 C ATOM 1987 C ALA B 99 18.301 12.614 42.762 1.00 8.63 C ATOM 1988 O ALA B 99 19.512 12.561 43.054 1.00 8.40 O ATOM 1989 CB ALA B 99 17.715 10.831 41.055 1.00 8.26 C ATOM 1990 H ALA B 99 15.390 11.404 41.964 1.00 0.00 H ATOM 1991 N LEU B 100 17.625 13.766 42.692 1.00 8.84 N ATOM 1992 CA LEU B 100 18.275 15.046 43.041 1.00 10.30 C ATOM 1993 C LEU B 100 18.315 15.317 44.556 1.00 11.04 C ATOM 1994 O LEU B 100 19.064 16.176 45.017 1.00 11.61 O ATOM 1995 CB LEU B 100 17.675 16.235 42.271 1.00 10.14 C ATOM 1996 CG LEU B 100 18.004 16.362 40.777 1.00 11.30 C ATOM 1997 CD1 LEU B 100 17.021 17.303 40.054 1.00 9.60 C ATOM 1998 CD2 LEU B 100 19.474 16.763 40.521 1.00 11.98 C ATOM 1999 H LEU B 100 16.630 13.761 42.388 1.00 0.00 H ATOM 2000 N GLY B 101 17.538 14.556 45.326 1.00 11.05 N ATOM 2001 CA GLY B 101 17.491 14.740 46.779 1.00 11.65 C ATOM 2002 C GLY B 101 16.489 15.780 47.263 1.00 11.46 C ATOM 2003 O GLY B 101 16.462 16.111 48.460 1.00 11.75 O ATOM 2004 H GLY B 101 16.953 13.817 44.887 1.00 0.00 H ATOM 2005 N LYS B 102 15.665 16.299 46.350 1.00 10.89 N ATOM 2006 CA LYS B 102 14.711 17.367 46.708 1.00 10.89 C ATOM 2007 C LYS B 102 13.586 16.816 47.584 1.00 10.49 C ATOM 2008 O LYS B 102 13.050 15.737 47.293 1.00 9.37 O ATOM 2009 CB LYS B 102 14.107 18.030 45.458 1.00 10.40 C ATOM 2010 CG LYS B 102 15.106 18.599 44.467 1.00 9.69 C ATOM 2011 CD LYS B 102 15.928 19.730 45.053 1.00 12.07 C ATOM 2012 CE LYS B 102 16.715 20.430 43.950 1.00 11.28 C ATOM 2013 NZ LYS B 102 17.447 21.599 44.485 1.00 14.49 N ATOM 2014 HZ1 LYS B 102 16.769 22.274 44.893 1.00 0.00 H ATOM 2015 HZ2 LYS B 102 18.110 21.284 45.222 1.00 0.00 H ATOM 2016 HZ3 LYS B 102 17.975 22.058 43.715 1.00 0.00 H ATOM 2017 H LYS B 102 15.696 15.946 45.372 1.00 0.00 H ATOM 2018 N PRO B 103 13.228 17.543 48.664 1.00 10.57 N ATOM 2019 CA PRO B 103 12.102 17.073 49.468 1.00 9.84 C ATOM 2020 C PRO B 103 10.802 17.145 48.667 1.00 8.48 C ATOM 2021 O PRO B 103 10.552 18.138 47.974 1.00 8.53 O ATOM 2022 CB PRO B 103 12.090 18.036 50.657 1.00 11.03 C ATOM 2023 CG PRO B 103 12.705 19.267 50.144 1.00 11.42 C ATOM 2024 CD PRO B 103 13.747 18.832 49.151 1.00 11.65 C ATOM 2025 N ILE B 104 9.998 16.090 48.771 1.00 6.74 N ATOM 2026 CA ILE B 104 8.806 15.898 47.948 1.00 5.74 C ATOM 2027 C ILE B 104 7.550 15.696 48.813 1.00 5.22 C ATOM 2028 O ILE B 104 7.595 15.007 49.835 1.00 5.40 O ATOM 2029 CB ILE B 104 8.990 14.658 47.003 1.00 4.79 C ATOM 2030 CG1 ILE B 104 9.957 14.979 45.857 1.00 5.49 C ATOM 2031 CG2 ILE B 104 7.644 14.158 46.433 1.00 4.45 C ATOM 2032 CD1 ILE B 104 10.530 13.731 45.172 1.00 4.18 C ATOM 2033 H ILE B 104 10.231 15.362 49.477 1.00 0.00 H ATOM 2034 N LEU B 105 6.447 16.325 48.404 1.00 4.97 N ATOM 2035 CA LEU B 105 5.120 16.051 48.957 1.00 5.01 C ATOM 2036 C LEU B 105 4.181 15.676 47.833 1.00 4.57 C ATOM 2037 O LEU B 105 3.984 16.453 46.893 1.00 4.38 O ATOM 2038 CB LEU B 105 4.548 17.255 49.733 1.00 5.69 C ATOM 2039 CG LEU B 105 3.071 17.133 50.182 1.00 5.75 C ATOM 2040 CD1 LEU B 105 2.872 16.080 51.259 1.00 5.98 C ATOM 2041 CD2 LEU B 105 2.533 18.471 50.665 1.00 6.39 C ATOM 2042 H LEU B 105 6.534 17.044 47.657 1.00 0.00 H ATOM 2043 N CYS B 106 3.621 14.467 47.922 1.00 4.25 N ATOM 2044 CA CYS B 106 2.597 14.021 46.998 1.00 4.23 C ATOM 2045 C CYS B 106 1.242 14.046 47.701 1.00 4.59 C ATOM 2046 O CYS B 106 1.107 13.637 48.863 1.00 4.69 O ATOM 2047 CB CYS B 106 2.892 12.606 46.467 1.00 3.56 C ATOM 2048 SG CYS B 106 4.401 12.479 45.522 1.00 6.13 S ATOM 2049 H CYS B 106 3.930 13.824 48.679 1.00 0.00 H ATOM 2050 N LEU B 107 0.238 14.559 47.000 1.00 4.69 N ATOM 2051 CA LEU B 107 -1.094 14.632 47.568 1.00 5.88 C ATOM 2052 C LEU B 107 -1.995 13.745 46.741 1.00 5.96 C ATOM 2053 O LEU B 107 -2.156 13.971 45.537 1.00 6.89 O ATOM 2054 CB LEU B 107 -1.617 16.075 47.567 1.00 6.26 C ATOM 2055 CG LEU B 107 -0.853 17.126 48.388 1.00 7.37 C ATOM 2056 CD1 LEU B 107 -1.268 18.551 48.019 1.00 6.06 C ATOM 2057 CD2 LEU B 107 -1.057 16.899 49.878 1.00 7.76 C ATOM 2058 H LEU B 107 0.408 14.911 46.036 1.00 0.00 H ATOM 2059 N PHE B 108 -2.569 12.744 47.396 1.00 6.20 N ATOM 2060 CA PHE B 108 -3.476 11.793 46.763 1.00 5.90 C ATOM 2061 C PHE B 108 -4.898 11.898 47.327 1.00 6.17 C ATOM 2062 O PHE B 108 -5.070 12.078 48.527 1.00 6.20 O ATOM 2063 CB PHE B 108 -2.938 10.358 46.926 1.00 5.38 C ATOM 2064 CG PHE B 108 -3.815 9.311 46.288 1.00 6.28 C ATOM 2065 CD1 PHE B 108 -4.564 8.428 47.074 1.00 5.35 C ATOM 2066 CD2 PHE B 108 -3.919 9.239 44.892 1.00 5.79 C ATOM 2067 CE1 PHE B 108 -5.387 7.472 46.479 1.00 7.88 C ATOM 2068 CE2 PHE B 108 -4.742 8.292 44.292 1.00 6.41 C ATOM 2069 CZ PHE B 108 -5.485 7.412 45.089 1.00 6.92 C ATOM 2070 H PHE B 108 -2.362 12.632 48.409 1.00 0.00 H ATOM 2071 N ARG B 109 -5.904 11.780 46.454 1.00 6.25 N ATOM 2072 CA ARG B 109 -7.327 11.840 46.837 1.00 6.49 C ATOM 2073 C ARG B 109 -8.000 10.463 46.659 1.00 6.72 C ATOM 2074 O ARG B 109 -8.397 10.110 45.545 1.00 5.95 O ATOM 2075 CB ARG B 109 -8.042 12.904 45.989 1.00 7.60 C ATOM 2076 CG ARG B 109 -9.391 13.401 46.519 1.00 10.14 C ATOM 2077 CD ARG B 109 -9.993 14.485 45.607 1.00 11.95 C ATOM 2078 NE ARG B 109 -10.323 13.965 44.271 1.00 11.31 N ATOM 2079 CZ ARG B 109 -9.575 14.119 43.178 1.00 8.51 C ATOM 2080 NH1 ARG B 109 -8.420 14.785 43.211 1.00 8.74 N ATOM 2081 NH2 ARG B 109 -9.986 13.598 42.033 1.00 8.14 N ATOM 2082 HE ARG B 109 -11.212 13.434 44.171 1.00 0.00 H ATOM 2083 HH12 ARG B 109 -7.856 14.891 42.344 1.00 0.00 H ATOM 2084 HH11 ARG B 109 -8.084 15.199 44.104 1.00 0.00 H ATOM 2085 HH22 ARG B 109 -9.411 13.712 41.174 1.00 0.00 H ATOM 2086 HH21 ARG B 109 -10.884 13.075 41.992 1.00 0.00 H ATOM 2087 H ARG B 109 -5.670 11.638 45.451 1.00 0.00 H ATOM 2088 N PRO B 110 -8.110 9.674 47.750 1.00 6.60 N ATOM 2089 CA PRO B 110 -8.721 8.325 47.696 1.00 7.37 C ATOM 2090 C PRO B 110 -10.207 8.345 47.308 1.00 8.28 C ATOM 2091 O PRO B 110 -10.750 7.319 46.883 1.00 8.65 O ATOM 2092 CB PRO B 110 -8.566 7.809 49.128 1.00 7.57 C ATOM 2093 CG PRO B 110 -8.348 9.054 49.971 1.00 8.03 C ATOM 2094 CD PRO B 110 -7.552 9.957 49.082 1.00 6.89 C ATOM 2095 N GLN B 111 -10.828 9.513 47.444 1.00 8.83 N ATOM 2096 CA GLN B 111 -12.228 9.761 47.091 1.00 10.79 C ATOM 2097 C GLN B 111 -12.501 9.519 45.616 1.00 10.57 C ATOM 2098 O GLN B 111 -13.632 9.214 45.235 1.00 11.54 O ATOM 2099 CB GLN B 111 -12.560 11.221 47.399 1.00 11.51 C ATOM 2100 CG GLN B 111 -13.677 11.421 48.384 1.00 14.30 C ATOM 2101 CD GLN B 111 -13.230 11.229 49.812 1.00 16.49 C ATOM 2102 OE1 GLN B 111 -13.055 10.102 50.271 1.00 17.33 O ATOM 2103 NE2 GLN B 111 -13.064 12.335 50.538 1.00 18.32 N ATOM 2104 HE22 GLN B 111 -13.223 13.268 50.108 1.00 0.00 H ATOM 2105 HE21 GLN B 111 -12.775 12.264 51.535 1.00 0.00 H ATOM 2106 H GLN B 111 -10.280 10.308 47.829 1.00 0.00 H ATOM 2107 N SER B 112 -11.465 9.687 44.794 1.00 10.30 N ATOM 2108 CA SER B 112 -11.511 9.410 43.352 1.00 10.36 C ATOM 2109 C SER B 112 -11.915 7.968 43.044 1.00 11.14 C ATOM 2110 O SER B 112 -12.518 7.689 42.003 1.00 11.99 O ATOM 2111 CB SER B 112 -10.144 9.679 42.729 1.00 9.84 C ATOM 2112 OG SER B 112 -9.139 8.849 43.307 1.00 7.88 O ATOM 2113 HG SER B 112 -9.084 9.028 44.279 1.00 0.00 H ATOM 2114 H SER B 112 -10.572 10.035 45.197 1.00 0.00 H ATOM 2115 N GLY B 113 -11.575 7.059 43.952 1.00 11.69 N ATOM 2116 CA GLY B 113 -11.829 5.637 43.762 1.00 12.33 C ATOM 2117 C GLY B 113 -10.630 4.915 43.179 1.00 12.49 C ATOM 2118 O GLY B 113 -10.659 3.696 43.005 1.00 12.84 O ATOM 2119 H GLY B 113 -11.112 7.374 44.828 1.00 0.00 H ATOM 2120 N ARG B 114 -9.593 5.692 42.875 1.00 12.56 N ATOM 2121 CA ARG B 114 -8.313 5.260 42.304 1.00 12.57 C ATOM 2122 C ARG B 114 -7.446 4.590 43.376 1.00 12.57 C ATOM 2123 O ARG B 114 -7.623 4.852 44.576 1.00 12.94 O ATOM 2124 CB ARG B 114 -7.612 6.521 41.778 1.00 12.48 C ATOM 2125 CG ARG B 114 -6.344 6.361 40.939 1.00 14.03 C ATOM 2126 CD ARG B 114 -6.652 6.239 39.443 1.00 16.17 C ATOM 2127 NE ARG B 114 -7.318 7.423 38.874 1.00 18.00 N ATOM 2128 CZ ARG B 114 -7.546 7.586 37.571 1.00 18.37 C ATOM 2129 NH1 ARG B 114 -7.148 6.662 36.706 1.00 16.91 N ATOM 2130 NH2 ARG B 114 -8.155 8.678 37.123 1.00 20.23 N ATOM 2131 HE ARG B 114 -7.627 8.173 39.525 1.00 0.00 H ATOM 2132 HH12 ARG B 114 -7.326 6.790 35.689 1.00 0.00 H ATOM 2133 HH11 ARG B 114 -6.658 5.810 37.045 1.00 0.00 H ATOM 2134 HH22 ARG B 114 -8.328 8.796 36.104 1.00 0.00 H ATOM 2135 HH21 ARG B 114 -8.459 9.415 37.791 1.00 0.00 H ATOM 2136 H ARG B 114 -9.701 6.709 43.061 1.00 0.00 H ATOM 2137 N VAL B 115 -6.510 3.739 42.946 1.00 12.13 N ATOM 2138 CA VAL B 115 -5.482 3.175 43.837 1.00 11.24 C ATOM 2139 C VAL B 115 -4.140 3.726 43.385 1.00 9.91 C ATOM 2140 O VAL B 115 -3.764 3.554 42.216 1.00 9.87 O ATOM 2141 CB VAL B 115 -5.440 1.613 43.814 1.00 11.87 C ATOM 2142 CG1 VAL B 115 -4.526 1.087 44.925 1.00 11.81 C ATOM 2143 CG2 VAL B 115 -6.854 1.004 43.942 1.00 13.15 C ATOM 2144 H VAL B 115 -6.507 3.464 41.943 1.00 0.00 H ATOM 2145 N LEU B 116 -3.430 4.392 44.301 1.00 8.48 N ATOM 2146 CA LEU B 116 -2.183 5.089 43.966 1.00 7.61 C ATOM 2147 C LEU B 116 -1.063 4.134 43.582 1.00 7.05 C ATOM 2148 O LEU B 116 -0.807 3.142 44.286 1.00 7.06 O ATOM 2149 CB LEU B 116 -1.705 5.994 45.118 1.00 6.81 C ATOM 2150 CG LEU B 116 -0.345 6.691 44.892 1.00 6.54 C ATOM 2151 CD1 LEU B 116 -0.398 7.664 43.687 1.00 3.38 C ATOM 2152 CD2 LEU B 116 0.086 7.413 46.147 1.00 6.26 C ATOM 2153 H LEU B 116 -3.772 4.417 45.283 1.00 0.00 H ATOM 2154 N SER B 117 -0.416 4.446 42.457 1.00 5.89 N ATOM 2155 CA SER B 117 0.806 3.775 42.026 1.00 5.59 C ATOM 2156 C SER B 117 1.680 3.298 43.176 1.00 5.33 C ATOM 2157 O SER B 117 2.080 4.093 44.030 1.00 5.49 O ATOM 2158 CB SER B 117 1.631 4.720 41.144 1.00 4.93 C ATOM 2159 OG SER B 117 2.924 4.179 40.892 1.00 3.54 O ATOM 2160 HG SER B 117 2.832 3.309 40.429 1.00 0.00 H ATOM 2161 H SER B 117 -0.802 5.204 41.859 1.00 0.00 H ATOM 2162 N ALA B 118 1.987 2.003 43.188 1.00 6.12 N ATOM 2163 CA ALA B 118 2.942 1.443 44.152 1.00 6.18 C ATOM 2164 C ALA B 118 4.309 2.136 44.147 1.00 5.53 C ATOM 2165 O ALA B 118 4.926 2.265 45.211 1.00 5.93 O ATOM 2166 CB ALA B 118 3.125 -0.066 43.927 1.00 6.94 C ATOM 2167 H ALA B 118 1.538 1.370 42.495 1.00 0.00 H ATOM 2168 N MET B 119 4.788 2.539 42.967 1.00 4.52 N ATOM 2169 CA MET B 119 6.111 3.187 42.818 1.00 5.14 C ATOM 2170 C MET B 119 6.150 4.556 43.470 1.00 4.95 C ATOM 2171 O MET B 119 7.214 5.025 43.918 1.00 5.97 O ATOM 2172 CB MET B 119 6.526 3.319 41.335 1.00 5.16 C ATOM 2173 CG MET B 119 6.803 1.968 40.649 1.00 6.10 C ATOM 2174 SD MET B 119 7.956 0.913 41.541 1.00 10.73 S ATOM 2175 CE MET B 119 9.512 1.711 41.208 1.00 9.39 C ATOM 2176 H MET B 119 4.207 2.391 42.117 1.00 0.00 H ATOM 2177 N ILE B 120 4.992 5.203 43.486 1.00 4.17 N ATOM 2178 CA ILE B 120 4.852 6.472 44.176 1.00 4.15 C ATOM 2179 C ILE B 120 4.604 6.270 45.671 1.00 3.64 C ATOM 2180 O ILE B 120 5.386 6.722 46.498 1.00 3.63 O ATOM 2181 CB ILE B 120 3.728 7.335 43.563 1.00 4.39 C ATOM 2182 CG1 ILE B 120 3.964 7.570 42.057 1.00 4.52 C ATOM 2183 CG2 ILE B 120 3.513 8.628 44.403 1.00 3.53 C ATOM 2184 CD1 ILE B 120 5.319 8.245 41.674 1.00 4.25 C ATOM 2185 H ILE B 120 4.171 4.794 42.996 1.00 0.00 H ATOM 2186 N ARG B 121 3.516 5.609 46.052 1.00 4.78 N ATOM 2187 CA ARG B 121 3.323 5.446 47.500 1.00 5.46 C ATOM 2188 C ARG B 121 4.494 4.717 48.178 1.00 5.82 C ATOM 2189 O ARG B 121 4.800 4.984 49.329 1.00 5.80 O ATOM 2190 CB ARG B 121 2.005 4.793 47.877 1.00 6.47 C ATOM 2191 CG ARG B 121 1.549 5.308 49.263 1.00 9.05 C ATOM 2192 CD ARG B 121 0.372 4.576 49.818 1.00 11.13 C ATOM 2193 NE ARG B 121 -0.897 4.914 49.167 1.00 13.06 N ATOM 2194 CZ ARG B 121 -1.580 6.042 49.357 1.00 12.53 C ATOM 2195 NH1 ARG B 121 -1.128 6.991 50.166 1.00 13.23 N ATOM 2196 NH2 ARG B 121 -2.726 6.219 48.730 1.00 12.07 N ATOM 2197 HE ARG B 121 -1.296 4.218 48.505 1.00 0.00 H ATOM 2198 HH12 ARG B 121 -1.676 7.864 50.301 1.00 0.00 H ATOM 2199 HH11 ARG B 121 -0.225 6.862 50.666 1.00 0.00 H ATOM 2200 HH22 ARG B 121 -3.266 7.096 48.872 1.00 0.00 H ATOM 2201 HH21 ARG B 121 -3.090 5.481 48.093 1.00 0.00 H ATOM 2202 H ARG B 121 2.837 5.227 45.363 1.00 0.00 H ATOM 2203 N GLY B 122 5.152 3.825 47.447 1.00 5.94 N ATOM 2204 CA GLY B 122 6.282 3.053 48.005 1.00 6.55 C ATOM 2205 C GLY B 122 7.589 3.830 48.068 1.00 7.01 C ATOM 2206 O GLY B 122 8.534 3.430 48.771 1.00 8.09 O ATOM 2207 H GLY B 122 4.866 3.666 46.460 1.00 0.00 H ATOM 2208 N ALA B 123 7.651 4.946 47.344 1.00 5.85 N ATOM 2209 CA ALA B 123 8.825 5.825 47.401 1.00 6.15 C ATOM 2210 C ALA B 123 8.937 6.616 48.710 1.00 6.46 C ATOM 2211 O ALA B 123 9.987 7.210 48.994 1.00 5.88 O ATOM 2212 CB ALA B 123 8.850 6.774 46.206 1.00 5.40 C ATOM 2213 H ALA B 123 6.853 5.199 46.727 1.00 0.00 H ATOM 2214 N ALA B 124 7.857 6.620 49.496 1.00 7.21 N ATOM 2215 CA ALA B 124 7.806 7.326 50.774 1.00 8.39 C ATOM 2216 C ALA B 124 8.956 6.940 51.719 1.00 9.88 C ATOM 2217 O ALA B 124 9.226 5.749 51.949 1.00 9.95 O ATOM 2218 CB ALA B 124 6.457 7.117 51.434 1.00 8.42 C ATOM 2219 H ALA B 124 7.014 6.097 49.184 1.00 0.00 H ATOM 2220 N ASP B 125 9.619 7.958 52.264 1.00 10.72 N ATOM 2221 CA ASP B 125 10.865 7.782 53.003 1.00 12.45 C ATOM 2222 C ASP B 125 11.190 9.026 53.840 1.00 12.99 C ATOM 2223 O ASP B 125 11.835 9.966 53.358 1.00 12.36 O ATOM 2224 CB ASP B 125 12.014 7.458 52.033 1.00 12.51 C ATOM 2225 CG ASP B 125 13.383 7.432 52.717 1.00 15.77 C ATOM 2226 OD1 ASP B 125 13.556 6.730 53.732 1.00 18.99 O ATOM 2227 OD2 ASP B 125 14.291 8.129 52.231 1.00 18.40 O ATOM 2228 H ASP B 125 9.233 8.918 52.159 1.00 0.00 H ATOM 2229 N GLY B 126 10.737 9.007 55.091 1.00 13.83 N ATOM 2230 CA GLY B 126 10.993 10.073 56.057 1.00 14.99 C ATOM 2231 C GLY B 126 10.597 11.443 55.544 1.00 14.79 C ATOM 2232 O GLY B 126 9.558 11.599 54.888 1.00 14.43 O ATOM 2233 H GLY B 126 10.171 8.190 55.397 1.00 0.00 H ATOM 2234 N SER B 127 11.441 12.431 55.823 1.00 15.52 N ATOM 2235 CA SER B 127 11.220 13.807 55.368 1.00 15.74 C ATOM 2236 C SER B 127 11.441 14.009 53.867 1.00 15.14 C ATOM 2237 O SER B 127 10.959 14.988 53.286 1.00 15.22 O ATOM 2238 CB SER B 127 12.145 14.746 56.130 1.00 16.62 C ATOM 2239 OG SER B 127 13.491 14.428 55.841 1.00 16.17 O ATOM 2240 HG SER B 127 14.088 15.041 56.339 1.00 0.00 H ATOM 2241 H SER B 127 12.290 12.220 56.385 1.00 0.00 H ATOM 2242 N ARG B 128 12.184 13.091 53.255 1.00 15.37 N ATOM 2243 CA ARG B 128 12.575 13.174 51.851 1.00 15.11 C ATOM 2244 C ARG B 128 11.390 13.063 50.902 1.00 13.56 C ATOM 2245 O ARG B 128 11.284 13.822 49.937 1.00 13.12 O ATOM 2246 CB ARG B 128 13.538 12.038 51.503 1.00 15.55 C ATOM 2247 CG ARG B 128 14.964 12.239 51.922 1.00 18.84 C ATOM 2248 CD ARG B 128 15.854 11.492 50.952 1.00 24.08 C ATOM 2249 NE ARG B 128 15.821 10.039 51.147 1.00 27.47 N ATOM 2250 CZ ARG B 128 16.199 9.145 50.231 1.00 28.84 C ATOM 2251 NH1 ARG B 128 16.148 7.843 50.503 1.00 29.48 N ATOM 2252 NH2 ARG B 128 16.620 9.543 49.038 1.00 28.55 N ATOM 2253 HE ARG B 128 15.480 9.681 52.062 1.00 0.00 H ATOM 2254 HH12 ARG B 128 16.444 7.150 49.786 1.00 0.00 H ATOM 2255 HH11 ARG B 128 15.813 7.519 51.432 1.00 0.00 H ATOM 2256 HH22 ARG B 128 16.913 8.841 48.329 1.00 0.00 H ATOM 2257 HH21 ARG B 128 16.657 10.557 48.811 1.00 0.00 H ATOM 2258 H ARG B 128 12.504 12.269 53.807 1.00 0.00 H ATOM 2259 N PHE B 129 10.527 12.085 51.167 1.00 12.55 N ATOM 2260 CA PHE B 129 9.417 11.765 50.283 1.00 10.84 C ATOM 2261 C PHE B 129 8.212 11.359 51.125 1.00 10.65 C ATOM 2262 O PHE B 129 8.206 10.313 51.777 1.00 10.23 O ATOM 2263 CB PHE B 129 9.813 10.634 49.324 1.00 9.86 C ATOM 2264 CG PHE B 129 8.942 10.526 48.086 1.00 9.35 C ATOM 2265 CD1 PHE B 129 9.475 10.771 46.834 1.00 7.70 C ATOM 2266 CD2 PHE B 129 7.603 10.145 48.175 1.00 9.24 C ATOM 2267 CE1 PHE B 129 8.696 10.646 45.678 1.00 7.78 C ATOM 2268 CE2 PHE B 129 6.819 10.016 47.022 1.00 6.99 C ATOM 2269 CZ PHE B 129 7.360 10.272 45.780 1.00 5.71 C ATOM 2270 H PHE B 129 10.651 11.530 52.037 1.00 0.00 H ATOM 2271 N GLN B 130 7.196 12.210 51.110 1.00 10.65 N ATOM 2272 CA GLN B 130 5.970 11.958 51.851 1.00 10.64 C ATOM 2273 C GLN B 130 4.818 11.886 50.877 1.00 9.95 C ATOM 2274 O GLN B 130 4.744 12.689 49.933 1.00 9.93 O ATOM 2275 CB GLN B 130 5.710 13.080 52.874 1.00 11.38 C ATOM 2276 CG GLN B 130 6.751 13.154 53.983 1.00 12.38 C ATOM 2277 CD GLN B 130 6.524 14.296 54.944 1.00 12.51 C ATOM 2278 OE1 GLN B 130 5.502 14.363 55.639 1.00 13.12 O ATOM 2279 NE2 GLN B 130 7.486 15.202 55.001 1.00 12.86 N ATOM 2280 HE22 GLN B 130 8.328 15.105 54.398 1.00 0.00 H ATOM 2281 HE21 GLN B 130 7.401 16.011 55.649 1.00 0.00 H ATOM 2282 H GLN B 130 7.278 13.084 50.552 1.00 0.00 H ATOM 2283 N VAL B 131 3.916 10.934 51.118 1.00 9.01 N ATOM 2284 CA VAL B 131 2.665 10.844 50.369 1.00 8.01 C ATOM 2285 C VAL B 131 1.498 10.955 51.358 1.00 7.95 C ATOM 2286 O VAL B 131 1.274 10.053 52.168 1.00 7.52 O ATOM 2287 CB VAL B 131 2.558 9.517 49.556 1.00 7.16 C ATOM 2288 CG1 VAL B 131 1.263 9.468 48.783 1.00 6.05 C ATOM 2289 CG2 VAL B 131 3.765 9.342 48.601 1.00 8.22 C ATOM 2290 H VAL B 131 4.109 10.234 51.862 1.00 0.00 H ATOM 2291 N TRP B 132 0.777 12.075 51.282 1.00 7.92 N ATOM 2292 CA TRP B 132 -0.407 12.321 52.099 1.00 8.77 C ATOM 2293 C TRP B 132 -1.717 12.101 51.323 1.00 8.83 C ATOM 2294 O TRP B 132 -1.903 12.671 50.243 1.00 8.81 O ATOM 2295 CB TRP B 132 -0.393 13.771 52.596 1.00 8.93 C ATOM 2296 CG TRP B 132 0.713 14.145 53.564 1.00 9.86 C ATOM 2297 CD1 TRP B 132 1.914 13.507 53.745 1.00 10.12 C ATOM 2298 CD2 TRP B 132 0.734 15.282 54.432 1.00 11.00 C ATOM 2299 NE1 TRP B 132 2.664 14.164 54.689 1.00 9.22 N ATOM 2300 CE2 TRP B 132 1.968 15.257 55.128 1.00 12.14 C ATOM 2301 CE3 TRP B 132 -0.178 16.311 54.708 1.00 11.55 C ATOM 2302 CZ2 TRP B 132 2.317 16.231 56.080 1.00 12.29 C ATOM 2303 CZ3 TRP B 132 0.175 17.282 55.652 1.00 13.81 C ATOM 2304 CH2 TRP B 132 1.413 17.227 56.327 1.00 12.46 C ATOM 2305 HE1 TRP B 132 3.608 13.877 55.017 1.00 0.00 H ATOM 2306 H TRP B 132 1.073 12.809 50.607 1.00 0.00 H ATOM 2307 N ASP B 133 -2.613 11.285 51.878 1.00 9.53 N ATOM 2308 CA ASP B 133 -4.014 11.210 51.424 1.00 9.77 C ATOM 2309 C ASP B 133 -4.773 12.443 51.904 1.00 9.59 C ATOM 2310 O ASP B 133 -4.585 12.886 53.039 1.00 9.60 O ATOM 2311 CB ASP B 133 -4.723 9.986 52.012 1.00 9.84 C ATOM 2312 CG ASP B 133 -4.252 8.665 51.418 1.00 11.73 C ATOM 2313 OD1 ASP B 133 -3.255 8.614 50.661 1.00 13.38 O ATOM 2314 OD2 ASP B 133 -4.905 7.648 51.725 1.00 14.12 O ATOM 2315 H ASP B 133 -2.311 10.675 52.665 1.00 0.00 H ATOM 2316 N TYR B 134 -5.646 12.986 51.054 1.00 9.35 N ATOM 2317 CA TYR B 134 -6.427 14.161 51.440 1.00 9.64 C ATOM 2318 C TYR B 134 -7.878 14.071 50.999 1.00 9.95 C ATOM 2319 O TYR B 134 -8.190 13.442 49.989 1.00 9.09 O ATOM 2320 CB TYR B 134 -5.818 15.464 50.892 1.00 9.20 C ATOM 2321 CG TYR B 134 -6.025 15.694 49.405 1.00 8.77 C ATOM 2322 CD1 TYR B 134 -7.148 16.372 48.929 1.00 9.23 C ATOM 2323 CD2 TYR B 134 -5.089 15.250 48.473 1.00 7.74 C ATOM 2324 CE1 TYR B 134 -7.337 16.587 47.572 1.00 9.82 C ATOM 2325 CE2 TYR B 134 -5.265 15.483 47.110 1.00 6.60 C ATOM 2326 CZ TYR B 134 -6.404 16.130 46.670 1.00 8.14 C ATOM 2327 OH TYR B 134 -6.588 16.343 45.319 1.00 9.94 O ATOM 2328 HH TYR B 134 -6.605 15.472 44.848 1.00 0.00 H ATOM 2329 H TYR B 134 -5.772 12.570 50.109 1.00 0.00 H ATOM 2330 N ALA B 135 -8.733 14.734 51.771 1.00 10.55 N ATOM 2331 CA ALA B 135 -10.097 15.049 51.379 1.00 11.79 C ATOM 2332 C ALA B 135 -10.059 16.441 50.754 1.00 12.29 C ATOM 2333 O ALA B 135 -9.384 17.332 51.285 1.00 12.27 O ATOM 2334 CB ALA B 135 -10.998 15.040 52.606 1.00 12.73 C ATOM 2335 H ALA B 135 -8.408 15.045 52.709 1.00 0.00 H ATOM 2336 N GLU B 136 -10.766 16.649 49.641 1.00 12.91 N ATOM 2337 CA GLU B 136 -10.557 17.891 48.861 1.00 13.90 C ATOM 2338 C GLU B 136 -10.890 19.204 49.581 1.00 15.16 C ATOM 2339 O GLU B 136 -10.282 20.240 49.296 1.00 15.47 O ATOM 2340 CB GLU B 136 -11.180 17.827 47.451 1.00 13.90 C ATOM 2341 CG GLU B 136 -12.624 18.281 47.317 1.00 16.71 C ATOM 2342 CD GLU B 136 -12.822 19.259 46.142 1.00 19.70 C ATOM 2343 OE1 GLU B 136 -12.561 18.900 44.961 1.00 18.47 O ATOM 2344 OE2 GLU B 136 -13.245 20.400 46.416 1.00 19.59 O ATOM 2345 H GLU B 136 -11.460 15.943 49.323 1.00 0.00 H ATOM 2346 N GLY B 137 -11.835 19.162 50.517 1.00 16.30 N ATOM 2347 CA GLY B 137 -12.193 20.358 51.288 1.00 18.15 C ATOM 2348 C GLY B 137 -11.130 20.752 52.304 1.00 18.60 C ATOM 2349 O GLY B 137 -11.287 21.743 53.015 1.00 19.75 O ATOM 2350 H GLY B 137 -12.328 18.266 50.705 1.00 0.00 H ATOM 2351 N GLU B 138 -10.049 19.973 52.376 1.00 18.03 N ATOM 2352 CA GLU B 138 -9.017 20.192 53.400 1.00 18.68 C ATOM 2353 C GLU B 138 -7.603 20.392 52.826 1.00 17.74 C ATOM 2354 O GLU B 138 -6.642 20.537 53.590 1.00 18.16 O ATOM 2355 CB GLU B 138 -9.034 19.051 54.438 1.00 18.97 C ATOM 2356 CG GLU B 138 -8.096 17.885 54.107 1.00 19.06 C ATOM 2357 CD GLU B 138 -8.359 16.604 54.895 1.00 20.07 C ATOM 2358 OE1 GLU B 138 -8.976 16.657 55.988 1.00 21.35 O ATOM 2359 OE2 GLU B 138 -7.925 15.535 54.405 1.00 17.54 O ATOM 2360 H GLU B 138 -9.934 19.196 51.695 1.00 0.00 H ATOM 2361 N VAL B 139 -7.479 20.423 51.494 1.00 16.79 N ATOM 2362 CA VAL B 139 -6.156 20.464 50.828 1.00 15.20 C ATOM 2363 C VAL B 139 -5.317 21.672 51.267 1.00 16.17 C ATOM 2364 O VAL B 139 -4.101 21.540 51.494 1.00 14.89 O ATOM 2365 CB VAL B 139 -6.257 20.315 49.260 1.00 14.59 C ATOM 2366 CG1 VAL B 139 -6.677 21.617 48.577 1.00 14.52 C ATOM 2367 CG2 VAL B 139 -4.949 19.775 48.659 1.00 12.39 C ATOM 2368 H VAL B 139 -8.338 20.418 50.908 1.00 0.00 H ATOM 2369 N GLU B 140 -5.981 22.821 51.440 1.00 17.07 N ATOM 2370 CA GLU B 140 -5.322 24.051 51.897 1.00 18.41 C ATOM 2371 C GLU B 140 -4.741 23.926 53.309 1.00 19.38 C ATOM 2372 O GLU B 140 -3.600 24.344 53.555 1.00 19.38 O ATOM 2373 CB GLU B 140 -6.278 25.254 51.834 1.00 19.15 C ATOM 2374 CG GLU B 140 -6.524 25.789 50.424 1.00 19.28 C ATOM 2375 CD GLU B 140 -7.748 25.192 49.755 1.00 17.70 C ATOM 2376 OE1 GLU B 140 -8.382 24.299 50.357 1.00 18.25 O ATOM 2377 OE2 GLU B 140 -8.079 25.625 48.628 1.00 15.55 O ATOM 2378 H GLU B 140 -7.002 22.844 51.243 1.00 0.00 H ATOM 2379 N THR B 141 -5.523 23.347 54.221 1.00 20.30 N ATOM 2380 CA THR B 141 -5.085 23.155 55.606 1.00 21.69 C ATOM 2381 C THR B 141 -3.986 22.090 55.746 1.00 21.18 C ATOM 2382 O THR B 141 -3.128 22.220 56.612 1.00 22.04 O ATOM 2383 CB THR B 141 -6.265 22.910 56.601 1.00 22.43 C ATOM 2384 OG1 THR B 141 -7.064 21.810 56.159 1.00 23.17 O ATOM 2385 CG2 THR B 141 -7.148 24.143 56.708 1.00 24.23 C ATOM 2386 HG1 THR B 141 -7.432 22.010 55.262 1.00 0.00 H ATOM 2387 H THR B 141 -6.471 23.023 53.941 1.00 0.00 H ATOM 2388 N MET B 142 -4.008 21.063 54.890 1.00 20.32 N ATOM 2389 CA MET B 142 -2.930 20.050 54.817 1.00 20.04 C ATOM 2390 C MET B 142 -1.593 20.651 54.358 1.00 19.33 C ATOM 2391 O MET B 142 -0.532 20.336 54.909 1.00 18.98 O ATOM 2392 CB MET B 142 -3.317 18.906 53.872 1.00 19.42 C ATOM 2393 CG MET B 142 -4.494 18.058 54.333 1.00 22.64 C ATOM 2394 SD MET B 142 -4.011 16.436 54.967 1.00 29.32 S ATOM 2395 CE MET B 142 -3.517 16.843 56.640 1.00 28.13 C ATOM 2396 H MET B 142 -4.819 20.971 54.246 1.00 0.00 H ATOM 2397 N LEU B 143 -1.654 21.515 53.346 1.00 18.62 N ATOM 2398 CA LEU B 143 -0.474 22.238 52.863 1.00 18.19 C ATOM 2399 C LEU B 143 0.095 23.186 53.923 1.00 19.06 C ATOM 2400 O LEU B 143 1.318 23.323 54.042 1.00 19.23 O ATOM 2401 CB LEU B 143 -0.797 23.004 51.578 1.00 17.78 C ATOM 2402 CG LEU B 143 -0.948 22.151 50.316 1.00 16.89 C ATOM 2403 CD1 LEU B 143 -1.459 23.020 49.191 1.00 16.68 C ATOM 2404 CD2 LEU B 143 0.374 21.496 49.925 1.00 15.53 C ATOM 2405 H LEU B 143 -2.570 21.682 52.883 1.00 0.00 H ATOM 2406 N ASP B 144 -0.795 23.826 54.681 1.00 19.55 N ATOM 2407 CA ASP B 144 -0.418 24.628 55.851 1.00 20.61 C ATOM 2408 C ASP B 144 0.334 23.770 56.873 1.00 20.39 C ATOM 2409 O ASP B 144 1.367 24.183 57.394 1.00 20.24 O ATOM 2410 CB ASP B 144 -1.659 25.236 56.518 1.00 21.62 C ATOM 2411 CG ASP B 144 -2.285 26.361 55.704 1.00 22.51 C ATOM 2412 OD1 ASP B 144 -1.611 26.928 54.816 1.00 21.99 O ATOM 2413 OD2 ASP B 144 -3.465 26.686 55.968 1.00 23.01 O ATOM 2414 H ASP B 144 -1.802 23.754 54.432 1.00 0.00 H ATOM 2415 N ARG B 145 -0.196 22.581 57.154 1.00 19.70 N ATOM 2416 CA ARG B 145 0.431 21.661 58.105 1.00 20.12 C ATOM 2417 C ARG B 145 1.803 21.183 57.629 1.00 19.15 C ATOM 2418 O ARG B 145 2.754 21.134 58.423 1.00 19.72 O ATOM 2419 CB ARG B 145 -0.474 20.455 58.392 1.00 20.13 C ATOM 2420 CG ARG B 145 -1.740 20.755 59.183 1.00 21.92 C ATOM 2421 CD ARG B 145 -1.452 21.369 60.550 1.00 26.41 C ATOM 2422 NE ARG B 145 -1.397 22.832 60.503 1.00 28.32 N ATOM 2423 CZ ARG B 145 -2.457 23.633 60.615 1.00 30.93 C ATOM 2424 NH1 ARG B 145 -3.676 23.127 60.785 1.00 31.55 N ATOM 2425 NH2 ARG B 145 -2.299 24.950 60.565 1.00 31.95 N ATOM 2426 HE ARG B 145 -0.466 23.277 60.373 1.00 0.00 H ATOM 2427 HH12 ARG B 145 -4.495 23.762 60.871 1.00 0.00 H ATOM 2428 HH11 ARG B 145 -3.809 22.097 60.832 1.00 0.00 H ATOM 2429 HH22 ARG B 145 -3.125 25.576 60.652 1.00 0.00 H ATOM 2430 HH21 ARG B 145 -1.350 25.355 60.439 1.00 0.00 H ATOM 2431 H ARG B 145 -1.080 22.298 56.685 1.00 0.00 H ATOM 2432 N TYR B 146 1.898 20.839 56.344 1.00 17.53 N ATOM 2433 CA TYR B 146 3.147 20.339 55.763 1.00 16.78 C ATOM 2434 C TYR B 146 4.268 21.367 55.897 1.00 17.58 C ATOM 2435 O TYR B 146 5.336 21.056 56.433 1.00 17.85 O ATOM 2436 CB TYR B 146 2.978 19.901 54.296 1.00 15.46 C ATOM 2437 CG TYR B 146 4.294 19.460 53.656 1.00 14.39 C ATOM 2438 CD1 TYR B 146 4.812 18.178 53.872 1.00 13.07 C ATOM 2439 CD2 TYR B 146 5.027 20.335 52.864 1.00 13.85 C ATOM 2440 CE1 TYR B 146 6.026 17.784 53.288 1.00 12.20 C ATOM 2441 CE2 TYR B 146 6.236 19.956 52.285 1.00 14.11 C ATOM 2442 CZ TYR B 146 6.731 18.682 52.495 1.00 13.74 C ATOM 2443 OH TYR B 146 7.941 18.336 51.910 1.00 14.07 O ATOM 2444 HH TYR B 146 8.165 17.401 52.147 1.00 0.00 H ATOM 2445 H TYR B 146 1.060 20.928 55.735 1.00 0.00 H ATOM 2446 N PHE B 147 4.019 22.594 55.437 1.00 17.84 N ATOM 2447 CA PHE B 147 5.053 23.627 55.473 1.00 18.90 C ATOM 2448 C PHE B 147 5.371 24.094 56.896 1.00 20.21 C ATOM 2449 O PHE B 147 6.485 24.535 57.165 1.00 21.03 O ATOM 2450 CB PHE B 147 4.716 24.796 54.532 1.00 18.89 C ATOM 2451 CG PHE B 147 4.920 24.474 53.068 1.00 18.97 C ATOM 2452 CD1 PHE B 147 3.870 23.976 52.295 1.00 18.31 C ATOM 2453 CD2 PHE B 147 6.168 24.649 52.468 1.00 18.22 C ATOM 2454 CE1 PHE B 147 4.046 23.658 50.951 1.00 16.53 C ATOM 2455 CE2 PHE B 147 6.358 24.343 51.114 1.00 18.27 C ATOM 2456 CZ PHE B 147 5.294 23.849 50.354 1.00 17.17 C ATOM 2457 H PHE B 147 3.080 22.818 55.049 1.00 0.00 H ATOM 2458 N GLU B 148 4.402 23.969 57.802 1.00 20.78 N ATOM 2459 CA GLU B 148 4.574 24.390 59.198 1.00 22.63 C ATOM 2460 C GLU B 148 5.416 23.451 60.051 1.00 22.60 C ATOM 2461 O GLU B 148 6.174 23.912 60.913 1.00 23.32 O ATOM 2462 CB GLU B 148 3.223 24.603 59.886 1.00 23.38 C ATOM 2463 CG GLU B 148 2.624 25.984 59.662 1.00 25.96 C ATOM 2464 CD GLU B 148 1.288 26.180 60.364 1.00 28.67 C ATOM 2465 OE1 GLU B 148 0.767 25.209 60.960 1.00 29.81 O ATOM 2466 OE2 GLU B 148 0.760 27.314 60.321 1.00 30.55 O ATOM 2467 H GLU B 148 3.492 23.559 57.510 1.00 0.00 H ATOM 2468 N ALA B 149 5.274 22.144 59.816 1.00 21.34 N ATOM 2469 CA ALA B 149 5.823 21.134 60.719 1.00 21.82 C ATOM 2470 C ALA B 149 6.497 19.932 60.038 1.00 21.02 C ATOM 2471 O ALA B 149 7.224 19.183 60.691 1.00 21.35 O ATOM 2472 CB ALA B 149 4.740 20.658 61.670 1.00 22.48 C ATOM 2473 H ALA B 149 4.758 21.836 58.967 1.00 0.00 H ATOM 2474 N TYR B 150 6.269 19.750 58.738 1.00 19.74 N ATOM 2475 CA TYR B 150 6.755 18.548 58.056 1.00 19.57 C ATOM 2476 C TYR B 150 7.849 18.795 57.014 1.00 19.34 C ATOM 2477 O TYR B 150 8.211 17.891 56.260 1.00 19.14 O ATOM 2478 CB TYR B 150 5.584 17.774 57.455 1.00 18.33 C ATOM 2479 CG TYR B 150 4.657 17.173 58.487 1.00 19.24 C ATOM 2480 CD1 TYR B 150 4.776 15.836 58.869 1.00 19.18 C ATOM 2481 CD2 TYR B 150 3.651 17.938 59.074 1.00 19.61 C ATOM 2482 CE1 TYR B 150 3.917 15.283 59.818 1.00 20.34 C ATOM 2483 CE2 TYR B 150 2.794 17.398 60.019 1.00 20.37 C ATOM 2484 CZ TYR B 150 2.927 16.073 60.382 1.00 20.83 C ATOM 2485 OH TYR B 150 2.067 15.542 61.315 1.00 22.86 O ATOM 2486 HH TYR B 150 2.292 14.590 61.465 1.00 0.00 H ATOM 2487 H TYR B 150 5.741 20.468 58.202 1.00 0.00 H ATOM 2488 N LEU B 151 8.376 20.013 56.985 1.00 20.74 N ATOM 2489 CA LEU B 151 9.433 20.385 56.054 1.00 21.45 C ATOM 2490 C LEU B 151 10.724 20.621 56.836 1.00 23.27 C ATOM 2491 O LEU B 151 10.721 21.325 57.847 1.00 24.48 O ATOM 2492 CB LEU B 151 9.040 21.678 55.328 1.00 21.68 C ATOM 2493 CG LEU B 151 9.375 21.998 53.870 1.00 20.68 C ATOM 2494 CD1 LEU B 151 9.610 23.494 53.756 1.00 22.12 C ATOM 2495 CD2 LEU B 151 10.575 21.249 53.336 1.00 20.82 C ATOM 2496 H LEU B 151 8.021 20.728 57.652 1.00 0.00 H ATOM 2497 N VAL B 152 11.820 20.021 56.377 1.00 23.86 N ATOM 2498 CA VAL B 152 13.136 20.299 56.954 1.00 25.58 C ATOM 2499 C VAL B 152 13.716 21.503 56.223 1.00 25.96 C ATOM 2500 O VAL B 152 13.543 21.635 55.010 1.00 25.75 O ATOM 2501 CB VAL B 152 14.118 19.090 56.849 1.00 25.40 C ATOM 2502 CG1 VAL B 152 15.455 19.422 57.509 1.00 26.99 C ATOM 2503 CG2 VAL B 152 13.522 17.842 57.475 1.00 25.38 C ATOM 2504 H VAL B 152 11.740 19.342 55.594 1.00 0.00 H TER 2505 VAL B 152 HETATM 2506 O HOH 1 2.245 2.623 30.184 1.00 11.62 O HETATM 2507 O HOH 2 14.659 6.019 46.335 1.00 12.06 O HETATM 2508 O HOH 3 6.630 -14.645 28.207 1.00 17.07 O HETATM 2509 O HOH 4 17.904 5.646 46.414 1.00 39.38 O HETATM 2510 O HOH 5 0.001 3.649 16.381 1.00 14.91 O HETATM 2511 O HOH 6 17.599 7.419 40.015 1.00 13.03 O HETATM 2512 O HOH 7 18.106 4.124 23.639 1.00 16.58 O HETATM 2513 O HOH 8 0.598 1.619 27.334 1.00 13.35 O HETATM 2514 O HOH 9 -6.118 5.507 34.344 1.00 12.96 O HETATM 2515 O HOH 10 2.046 12.587 20.626 1.00 22.87 O HETATM 2516 O HOH 11 -0.253 5.443 37.745 1.00 10.72 O HETATM 2517 O HOH 12 0.733 8.398 26.990 1.00 14.81 O HETATM 2518 O HOH 13 4.577 -0.742 54.787 1.00 10.34 O HETATM 2519 O HOH 14 -0.960 2.793 46.930 1.00 12.99 O HETATM 2520 O HOH 15 24.291 -0.659 33.362 1.00 27.50 O HETATM 2521 O HOH 16 4.782 -12.350 28.422 1.00 23.10 O HETATM 2522 O HOH 17 -2.283 -0.718 30.155 1.00 12.58 O HETATM 2523 O HOH 18 0.968 11.060 27.816 1.00 11.93 O HETATM 2524 O HOH 19 -5.336 2.028 24.603 1.00 19.40 O HETATM 2525 O HOH 20 -3.069 3.175 26.142 1.00 18.00 O HETATM 2526 O HOH 21 -6.376 -8.757 29.851 1.00 20.97 O HETATM 2527 O HOH 22 -4.418 -1.140 52.322 1.00 19.39 O HETATM 2528 O HOH 23 16.818 10.400 20.588 1.00 23.06 O HETATM 2529 O HOH 24 23.244 -5.498 20.439 1.00 21.90 O HETATM 2530 O HOH 25 1.531 0.040 40.987 1.00 10.42 O HETATM 2531 O HOH 26 2.823 17.156 28.183 1.00 14.43 O HETATM 2532 O HOH 27 1.566 -5.417 43.217 1.00 18.47 O HETATM 2533 O HOH 28 13.222 -11.095 18.110 1.00 52.42 O HETATM 2534 O HOH 29 24.008 10.878 23.098 1.00 36.75 O HETATM 2535 O HOH 30 8.714 10.587 15.313 1.00 30.36 O HETATM 2536 O HOH 31 14.038 9.751 19.882 1.00 18.88 O HETATM 2537 O HOH 32 -5.002 -10.535 32.463 1.00 31.27 O HETATM 2538 O HOH 33 24.456 3.533 33.894 1.00 37.40 O HETATM 2539 O HOH 34 -6.712 4.304 15.523 1.00 25.61 O HETATM 2540 O HOH 35 20.317 -2.785 23.407 1.00 29.13 O HETATM 2541 O HOH 36 21.940 10.856 39.460 1.00 21.41 O HETATM 2542 O HOH 37 -7.320 8.949 31.013 1.00 18.46 O HETATM 2543 O HOH 38 14.233 2.082 47.697 1.00 32.95 O HETATM 2544 O HOH 39 -5.115 -6.053 26.618 1.00 20.24 O HETATM 2545 O HOH 40 -8.352 -4.003 27.009 1.00 26.13 O HETATM 2546 O HOH 41 1.121 -8.749 14.915 1.00 34.66 O HETATM 2547 O HOH 42 19.055 7.787 29.210 1.00 31.01 O HETATM 2548 O HOH 43 19.155 10.101 28.787 1.00 32.40 O HETATM 2549 O HOH 44 12.373 -5.361 48.149 1.00 22.10 O HETATM 2550 O HOH 45 4.860 -12.432 37.549 1.00 30.83 O HETATM 2551 O HOH 46 -4.650 4.630 25.083 1.00 28.48 O HETATM 2552 O HOH 47 20.820 0.653 24.256 1.00 45.06 O HETATM 2553 O HOH 48 -6.651 -6.329 29.180 1.00 29.15 O HETATM 2554 O HOH 49 24.303 1.621 35.717 1.00 28.46 O HETATM 2555 O HOH 50 -1.611 -7.312 16.107 1.00 27.74 O HETATM 2556 O HOH 51 9.721 -13.175 14.063 1.00 48.23 O HETATM 2557 O HOH 52 1.081 0.467 50.436 1.00 30.77 O HETATM 2558 O HOH 53 -6.572 6.195 31.021 1.00 19.54 O HETATM 2559 O HOH 54 -7.209 -6.895 33.541 1.00 27.25 O HETATM 2560 O HOH 55 1.441 -3.798 47.516 1.00 30.28 O HETATM 2561 O HOH 56 16.223 -0.352 46.440 1.00 23.42 O HETATM 2562 O HOH 57 17.225 12.491 28.651 1.00 29.20 O HETATM 2563 O HOH 58 17.051 -13.902 28.333 1.00 27.78 O HETATM 2564 O HOH 59 -7.083 5.093 23.365 1.00 21.45 O HETATM 2565 O HOH 60 22.442 -1.753 27.516 1.00 33.07 O HETATM 2566 O HOH 61 -1.077 -10.764 23.902 1.00 36.01 O HETATM 2567 O HOH 62 15.058 -6.521 43.388 1.00 17.78 O HETATM 2568 O HOH 63 7.631 -11.751 14.725 1.00 24.30 O HETATM 2569 O HOH 64 7.553 -3.491 35.141 1.00 18.47 O HETATM 2570 O HOH 65 17.616 -7.763 42.675 1.00 33.09 O HETATM 2571 O HOH 66 15.545 -11.016 42.444 1.00 23.83 O HETATM 2572 O HOH 67 5.058 -11.392 43.178 1.00 24.99 O HETATM 2573 O HOH 68 -6.149 -0.657 47.985 1.00 28.69 O HETATM 2574 O HOH 69 19.422 17.448 25.476 1.00 31.84 O HETATM 2575 O HOH 70 -1.558 1.884 50.415 1.00 23.75 O HETATM 2576 O HOH 71 -11.963 14.117 48.795 1.00 15.45 O HETATM 2577 O HOH 72 -3.038 8.079 40.874 1.00 10.17 O HETATM 2578 O HOH 73 17.495 13.649 38.326 1.00 13.73 O HETATM 2579 O HOH 74 4.565 9.225 53.266 1.00 10.09 O HETATM 2580 O HOH 75 -4.361 9.526 33.211 1.00 11.12 O HETATM 2581 O HOH 76 -10.199 22.887 48.922 1.00 18.04 O HETATM 2582 O HOH 77 -8.021 12.087 39.163 1.00 11.17 O HETATM 2583 O HOH 78 -4.756 14.538 39.928 1.00 11.01 O HETATM 2584 O HOH 79 17.809 14.785 31.020 1.00 15.35 O HETATM 2585 O HOH 80 -3.916 4.186 47.065 1.00 10.00 O HETATM 2586 O HOH 81 13.401 32.574 51.095 1.00 29.48 O HETATM 2587 O HOH 82 -10.190 11.856 49.407 1.00 11.37 O HETATM 2588 O HOH 83 -6.351 16.017 36.277 1.00 11.74 O HETATM 2589 O HOH 84 -13.453 17.265 51.969 1.00 23.77 O HETATM 2590 O HOH 85 -4.754 11.469 55.657 1.00 21.10 O HETATM 2591 O HOH 86 8.973 15.880 52.077 1.00 11.53 O HETATM 2592 O HOH 87 -10.791 19.760 39.547 1.00 14.31 O HETATM 2593 O HOH 88 -6.319 27.809 47.400 1.00 15.11 O HETATM 2594 O HOH 89 0.477 20.793 36.074 1.00 18.91 O HETATM 2595 O HOH 90 13.591 13.196 47.821 1.00 22.75 O HETATM 2596 O HOH 91 -9.121 15.720 29.801 1.00 21.36 O HETATM 2597 O HOH 92 -9.763 26.138 41.841 1.00 15.83 O HETATM 2598 O HOH 93 4.604 20.401 22.333 1.00 29.84 O HETATM 2599 O HOH 94 -4.113 29.274 41.286 1.00 22.60 O HETATM 2600 O HOH 95 -10.623 11.218 52.012 1.00 21.57 O HETATM 2601 O HOH 96 -12.372 20.456 41.910 1.00 18.73 O HETATM 2602 O HOH 97 7.847 29.973 36.096 1.00 28.56 O HETATM 2603 O HOH 98 1.114 7.412 52.148 1.00 9.82 O HETATM 2604 O HOH 99 8.496 22.726 58.884 1.00 21.62 O HETATM 2605 O HOH 100 -1.336 14.140 38.607 1.00 10.81 O HETATM 2606 O HOH 101 -4.986 25.332 33.295 1.00 22.19 O HETATM 2607 O HOH 102 -1.948 5.775 40.279 1.00 10.13 O HETATM 2608 O HOH 103 0.911 11.527 30.717 1.00 11.45 O HETATM 2609 O HOH 104 12.527 7.334 48.185 1.00 15.42 O HETATM 2610 O HOH 105 -14.571 20.051 48.691 1.00 28.13 O HETATM 2611 O HOH 106 17.821 24.349 46.334 1.00 29.65 O HETATM 2612 O HOH 107 6.742 24.715 63.951 1.00 39.04 O HETATM 2613 O HOH 108 4.359 4.481 51.798 1.00 12.13 O HETATM 2614 O HOH 109 -11.816 7.677 51.373 1.00 34.48 O HETATM 2615 O HOH 110 -12.683 25.072 43.059 1.00 31.98 O HETATM 2616 O HOH 111 6.917 23.553 22.549 1.00 25.17 O HETATM 2617 O HOH 112 7.466 25.889 61.412 1.00 33.12 O HETATM 2618 O HOH 113 11.211 25.009 57.024 1.00 32.85 O HETATM 2619 O HOH 114 -9.294 13.513 33.065 1.00 17.73 O HETATM 2620 O HOH 115 8.872 31.682 51.902 1.00 33.13 O HETATM 2621 O HOH 116 0.615 13.708 62.219 1.00 29.85 O HETATM 2622 O HOH 117 -2.406 26.015 38.270 1.00 23.78 O HETATM 2623 O HOH 118 17.991 15.031 50.439 1.00 26.39 O HETATM 2624 O HOH 119 16.486 21.861 24.337 1.00 30.06 O HETATM 2625 O HOH 120 11.286 19.511 20.193 1.00 47.43 O HETATM 2626 O HOH 121 -10.898 26.691 49.072 1.00 27.68 O HETATM 2627 O HOH 122 10.536 3.625 50.422 1.00 19.38 O HETATM 2628 O HOH 123 -4.617 17.480 27.833 1.00 36.29 O HETATM 2629 O HOH 124 -5.471 5.524 50.840 1.00 20.74 O HETATM 2630 O HOH 125 -10.863 30.190 48.129 1.00 28.40 O HETATM 2631 O HOH 126 11.195 31.021 53.608 1.00 28.88 O HETATM 2632 O HOH 127 0.790 24.795 35.831 1.00 24.97 O HETATM 2633 O HOH 128 8.732 19.075 20.086 1.00 31.55 O HETATM 2634 O HOH 129 -2.151 22.707 35.758 1.00 27.04 O HETATM 2635 O HOH 130 -8.658 23.552 53.289 1.00 15.54 O HETATM 2636 O HOH 131 -9.574 5.225 46.276 1.00 21.92 O HETATM 2637 O HOH 132 -4.048 27.582 33.402 1.00 32.33 O HETATM 2638 O HOH 133 -13.315 23.695 55.529 1.00 46.22 O HETATM 2639 O HOH 134 -1.837 14.634 62.811 1.00 19.55 O HETATM 2640 O HOH 135 13.023 4.968 49.474 1.00 24.01 O HETATM 2641 O HOH 136 13.061 29.362 31.606 1.00 31.89 O HETATM 2642 C66 UNN A 137 4.301 -7.615 44.833 1.00 -0.07 C HETATM 2643 C65 UNN A 137 5.340 -7.677 45.668 1.00 -0.08 C HETATM 2644 C64 UNN A 137 6.470 -7.628 44.965 1.00 0.07 C HETATM 2645 O63 UNN A 137 6.134 -7.540 43.640 1.00 -0.27 O HETATM 2646 C62 UNN A 137 4.772 -7.535 43.594 1.00 0.12 C HETATM 2647 C61 UNN A 137 4.003 -7.431 42.280 1.00 0.09 C HETATM 2648 N6 UNN A 137 3.939 -5.998 41.948 1.00 -0.29 N HETATM 2649 C6 UNN A 137 4.789 -5.434 41.101 1.00 0.13 C HETATM 2650 N1 UNN A 137 5.845 -6.117 40.601 1.00 -0.27 N HETATM 2651 C2 UNN A 137 6.694 -5.567 39.747 1.00 0.05 C HETATM 2652 N3 UNN A 137 6.545 -4.317 39.351 1.00 -0.27 N HETATM 2653 C4 UNN A 137 5.519 -3.573 39.811 1.00 0.16 C HETATM 2654 C5 UNN A 137 4.603 -4.121 40.701 1.00 0.10 C HETATM 2655 N7 UNN A 137 3.707 -3.184 40.989 1.00 -0.30 N HETATM 2656 C8 UNN A 137 4.035 -2.085 40.304 1.00 0.11 C HETATM 2657 N9 UNN A 137 5.141 -2.316 39.575 1.00 -0.19 N HETATM 2658 C1' UNN A 137 5.843 -1.361 38.664 1.00 0.20 C HETATM 2659 O4' UNN A 137 5.048 -0.144 38.588 1.00 -0.34 O HETATM 2660 C4' UNN A 137 5.141 0.358 37.269 1.00 0.12 C HETATM 2661 C3' UNN A 137 5.257 -0.855 36.357 1.00 0.11 C HETATM 2662 C2' UNN A 137 6.025 -1.854 37.207 1.00 0.14 C HETATM 2663 O2' UNN A 137 7.411 -1.797 36.847 1.00 -0.38 O HETATM 2664 H UNN A 137 7.518 -2.100 35.953 1.00 0.21 H HETATM 2665 H UNN A 137 5.635 -2.875 37.079 1.00 0.07 H HETATM 2666 O3' UNN A 137 6.020 -0.477 35.205 1.00 -0.39 O HETATM 2667 H UNN A 137 6.837 -0.080 35.484 1.00 0.21 H HETATM 2668 H UNN A 137 4.273 -1.247 36.059 1.00 0.06 H HETATM 2669 C5' UNN A 137 3.808 0.902 36.830 1.00 0.11 C HETATM 2670 O5' UNN A 137 3.216 1.874 37.705 1.00 -0.27 O HETATM 2671 PA UNN A 137 1.579 1.709 37.627 1.00 0.20 P HETATM 2672 O2 UNN A 137 0.857 1.348 38.980 1.00 -0.55 O HETATM 2673 O3 UNN A 137 0.805 2.534 36.441 1.00 -0.55 O HETATM 2674 O1 UNN A 137 1.546 3.065 38.223 1.00 -0.55 O HETATM 2675 H UNN A 137 3.110 0.057 36.742 1.00 0.06 H HETATM 2676 H UNN A 137 3.942 1.371 35.844 1.00 0.06 H HETATM 2677 H UNN A 137 5.962 1.081 37.159 1.00 0.07 H HETATM 2678 H UNN A 137 6.834 -1.141 39.089 1.00 0.10 H HETATM 2679 H UNN A 137 3.489 -1.143 40.332 1.00 0.13 H HETATM 2680 H UNN A 137 7.524 -6.152 39.367 1.00 0.10 H HETATM 2681 H UNN A 137 3.212 -5.416 42.387 1.00 0.19 H HETATM 2682 H UNN A 137 2.989 -7.839 42.400 1.00 0.07 H HETATM 2683 H UNN A 137 4.529 -7.982 41.487 1.00 0.07 H HETATM 2684 H UNN A 137 7.480 -7.653 45.371 1.00 0.09 H HETATM 2685 H UNN A 137 5.274 -7.755 46.752 1.00 0.03 H HETATM 2686 H UNN A 137 3.250 -7.628 45.118 1.00 0.02 H CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 406 407 411 412 413 CONECT 411 406 CONECT 412 406 CONECT 413 406 CONECT 1267 1268 1283 1284 1285 CONECT 1283 1267 CONECT 1284 1267 CONECT 1285 1267 CONECT 1628 1629 1632 1633 1634 CONECT 1632 1628 CONECT 1633 1628 CONECT 1634 1628 CONECT 2642 2643 2646 2686 CONECT 2643 2642 2644 2685 CONECT 2644 2643 2645 2684 CONECT 2645 2644 2646 CONECT 2646 2642 2645 2647 CONECT 2647 2646 2648 2682 2683 CONECT 2648 2647 2649 2681 CONECT 2649 2648 2650 2654 CONECT 2650 2649 2651 CONECT 2651 2650 2652 2680 CONECT 2652 2651 2653 CONECT 2653 2652 2654 2657 CONECT 2654 2649 2653 2655 CONECT 2655 2654 2656 CONECT 2656 2655 2657 2679 CONECT 2657 2653 2656 2658 CONECT 2658 2657 2659 2662 2678 CONECT 2659 2658 2660 CONECT 2660 2659 2661 2669 2677 CONECT 2661 2660 2662 2666 2668 CONECT 2662 2658 2661 2663 2665 CONECT 2663 2662 2664 CONECT 2664 2663 CONECT 2665 2662 CONECT 2666 2661 2667 CONECT 2667 2666 CONECT 2668 2661 CONECT 2669 2660 2670 2675 2676 CONECT 2670 2669 2671 CONECT 2671 2670 2672 2673 2674 CONECT 2672 2671 CONECT 2673 2671 CONECT 2674 2671 CONECT 2675 2669 CONECT 2676 2669 CONECT 2677 2660 CONECT 2678 2658 CONECT 2679 2656 CONECT 2680 2651 CONECT 2681 2648 CONECT 2682 2647 CONECT 2683 2647 CONECT 2684 2644 CONECT 2685 2643 CONECT 2686 2642 MASTER 0 0 0 0 0 0 0 0 2682 4 61 22 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 4kxn
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4fyh
RCSB PDB
PDBbind
152aa, >4FYH_1|Chains... *
4kxl
RCSB PDB
PDBbind
152aa, >4KXL_1|Chains... at 100%
4kxm
RCSB PDB
PDBbind
152aa, >4KXM_1|Chains... at 100%
4p5d
RCSB PDB
PDBbind
152aa, >4P5D_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
4kxn
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
2'-deoxynucleoside 5'-phosphate N-hydrolase 1, DNPH1 (RCL)
Ligand Name
6K6
EC.Number
E.C.3.2.2
Resolution
1.9(Å)
Affinity (Kd/Ki/IC50)
Kd=0.8uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2013) Plos One Vol. 8: pp. e80755-e80755
Ligand Properties
Formula
C
1
5
H
1
9
N
5
O
8
P
Molecular Weight
428.314
Exact Mass
428.097
No. of atoms
48
No. of bonds
51
Polar Surface Area
201.97
LOGP Value
-2.45 (
Computed with XLOGP3
)
-0.61 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 13
No. of Rings: 4
Canonical SMILES
O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1ccco1)COP(O)(O)O
InChI String
InChI=1S/C15H20N5O8P/c21-11-9(5-27-29(23,24)25)28-15(12(11)22)20-7-19-10-13(17-6-18-14(10)20)16-4-8-2-1-3-26-8/h1-3,6-7,9,11-12,15,21-25,29H,4-5H2,(H,16,17,18)/t9-,11-,12-,15-/m1/s1
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UniProtKB AC
UniProt accession number (AC):
O35820
Entrez Gene ID
NCBI Entrez Gene ID:
171047
ASD
Information of known allosteric effects of PDB entries
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