Browse entries in the PDBbind-CN Database
HEADER 4P0A_COMPLEX COMPND 4P0A_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 174 GLU GLU GLU GLU ARG ALA PHE LEU VAL ALA ARG GLU GLU SEQRES 2 A 174 LEU ALA SER ALA LEU ARG ARG ASP SER GLY GLN ALA PHE SEQRES 3 A 174 SER LEU GLU GLN LEU ARG PRO LEU LEU ALA SER SER LEU SEQRES 4 A 174 PRO LEU ALA ALA ARG TYR LEU GLN LEU ASP ALA ALA ARG SEQRES 5 A 174 LEU VAL ARG CYS ASN ALA HIS GLY GLU PRO ARG ASN TYR SEQRES 6 A 174 LEU ASN THR LEU SER THR ALA LEU ASN ILE LEU GLU LYS SEQRES 7 A 174 TYR GLY ARG ASN LEU LEU SER PRO GLN ARG PRO ARG TYR SEQRES 8 A 174 TRP ARG GLY VAL LYS PHE ASN ASN PRO VAL PHE ARG SER SEQRES 9 A 174 THR VAL ASP ALA VAL GLN GLY GLY ARG ASP VAL LEU ARG SEQRES 10 A 174 LEU TYR GLY TYR THR GLU GLU GLN PRO ASP GLY LEU SER SEQRES 11 A 174 PHE PRO GLU GLY GLN GLU GLU PRO ASP GLU HIS GLN VAL SEQRES 12 A 174 ALA THR VAL THR LEU GLU VAL LEU LEU LEU ARG THR GLU SEQRES 13 A 174 LEU SER LEU LEU LEU GLN ASN THR HIS PRO ARG GLN GLN SEQRES 14 A 174 ALA LEU GLU GLN LEU HET ASP A 233 62 ATOM 1 N GLU A 4 3.806 30.635 1.205 1.00108.70 N ATOM 2 CA GLU A 4 3.542 30.319 -0.199 1.00107.28 C ATOM 3 C GLU A 4 4.837 30.264 -1.011 1.00105.89 C ATOM 4 O GLU A 4 5.027 29.375 -1.862 1.00102.70 O ATOM 5 CB GLU A 4 2.568 31.340 -0.816 1.00108.36 C ATOM 6 HN3 GLU A 4 4.276 31.561 1.268 1.00 0.00 H ATOM 7 HN2 GLU A 4 4.422 29.904 1.614 1.00 0.00 H ATOM 8 HN1 GLU A 4 2.907 30.665 1.727 1.00 0.00 H ATOM 9 N GLU A 5 5.736 31.200 -0.720 1.00105.77 N ATOM 10 CA GLU A 5 7.030 31.264 -1.382 1.00105.05 C ATOM 11 C GLU A 5 7.951 30.143 -0.879 1.00101.70 C ATOM 12 O GLU A 5 8.670 29.509 -1.664 1.00 97.36 O ATOM 13 CB GLU A 5 7.643 32.645 -1.149 1.00110.93 C ATOM 14 CG GLU A 5 9.004 32.869 -1.776 1.00116.85 C ATOM 15 CD GLU A 5 9.395 34.343 -1.768 1.00126.58 C ATOM 16 OE1 GLU A 5 8.737 35.134 -1.046 1.00129.19 O ATOM 17 OE2 GLU A 5 10.338 34.718 -2.506 1.00130.44 O ATOM 18 H GLU A 5 5.506 31.910 0.005 1.00 0.00 H ATOM 19 N GLU A 6 7.912 29.892 0.429 1.00101.52 N ATOM 20 CA GLU A 6 8.678 28.802 1.021 1.00 99.61 C ATOM 21 C GLU A 6 8.154 27.459 0.528 1.00 89.60 C ATOM 22 O GLU A 6 8.919 26.526 0.259 1.00 83.00 O ATOM 23 CB GLU A 6 8.606 28.867 2.546 1.00108.54 C ATOM 24 CG GLU A 6 9.908 29.288 3.214 1.00118.47 C ATOM 25 CD GLU A 6 10.362 30.687 2.809 1.00128.64 C ATOM 26 OE1 GLU A 6 11.592 30.926 2.773 1.00132.22 O ATOM 27 OE2 GLU A 6 9.496 31.551 2.531 1.00132.46 O ATOM 28 H GLU A 6 7.321 30.488 1.043 1.00 0.00 H ATOM 29 N GLU A 7 6.837 27.380 0.407 1.00 89.23 N ATOM 30 CA GLU A 7 6.177 26.187 -0.105 1.00 87.69 C ATOM 31 C GLU A 7 6.615 25.900 -1.538 1.00 78.99 C ATOM 32 O GLU A 7 6.822 24.752 -1.900 1.00 74.91 O ATOM 33 CB GLU A 7 4.652 26.332 -0.027 1.00 92.91 C ATOM 34 CG GLU A 7 3.896 25.150 -0.596 1.00 98.16 C ATOM 35 CD GLU A 7 2.402 25.383 -0.646 1.00105.95 C ATOM 36 OE1 GLU A 7 1.664 24.467 -1.091 1.00106.03 O ATOM 37 OE2 GLU A 7 1.970 26.488 -0.244 1.00111.47 O ATOM 38 H GLU A 7 6.256 28.196 0.687 1.00 0.00 H ATOM 39 N ARG A 8 6.750 26.944 -2.348 1.00 77.39 N ATOM 40 CA ARG A 8 7.167 26.763 -3.736 1.00 78.50 C ATOM 41 C ARG A 8 8.593 26.240 -3.817 1.00 77.14 C ATOM 42 O ARG A 8 8.860 25.266 -4.543 1.00 77.61 O ATOM 43 CB ARG A 8 7.008 28.070 -4.535 1.00 82.15 C ATOM 44 CG ARG A 8 5.566 28.328 -4.989 1.00 84.67 C ATOM 45 CD ARG A 8 5.378 29.702 -5.624 1.00 90.27 C ATOM 46 NE ARG A 8 6.608 30.228 -6.210 1.00 95.14 N ATOM 47 CZ ARG A 8 7.014 31.491 -6.091 1.00100.13 C ATOM 48 NH1 ARG A 8 6.287 32.367 -5.409 1.00103.18 N ATOM 49 NH2 ARG A 8 8.149 31.879 -6.656 1.00101.60 N ATOM 50 HE ARG A 8 7.205 29.574 -6.755 1.00 0.00 H ATOM 51 HH12 ARG A 8 6.609 33.352 -5.319 1.00 0.00 H ATOM 52 HH11 ARG A 8 5.395 32.069 -4.964 1.00 0.00 H ATOM 53 HH22 ARG A 8 8.466 32.865 -6.563 1.00 0.00 H ATOM 54 HH21 ARG A 8 8.723 31.197 -7.192 1.00 0.00 H ATOM 55 H ARG A 8 6.557 27.901 -1.990 1.00 0.00 H ATOM 56 N ALA A 9 9.487 26.860 -3.043 1.00 74.15 N ATOM 57 CA ALA A 9 10.891 26.454 -2.987 1.00 73.03 C ATOM 58 C ALA A 9 11.000 24.994 -2.585 1.00 73.46 C ATOM 59 O ALA A 9 11.845 24.244 -3.095 1.00 73.24 O ATOM 60 CB ALA A 9 11.657 27.325 -2.021 1.00 70.64 C ATOM 61 H ALA A 9 9.174 27.661 -2.458 1.00 0.00 H ATOM 62 N PHE A 10 10.130 24.591 -1.666 1.00 70.66 N ATOM 63 CA PHE A 10 10.092 23.205 -1.244 1.00 67.40 C ATOM 64 C PHE A 10 9.693 22.283 -2.399 1.00 62.85 C ATOM 65 O PHE A 10 10.358 21.261 -2.664 1.00 61.35 O ATOM 66 CB PHE A 10 9.120 23.034 -0.073 1.00 69.11 C ATOM 67 CG PHE A 10 8.900 21.597 0.312 1.00 73.84 C ATOM 68 CD1 PHE A 10 9.784 20.941 1.165 1.00 77.71 C ATOM 69 CD2 PHE A 10 7.829 20.885 -0.215 1.00 73.66 C ATOM 70 CE1 PHE A 10 9.588 19.595 1.488 1.00 76.28 C ATOM 71 CE2 PHE A 10 7.629 19.551 0.103 1.00 72.51 C ATOM 72 CZ PHE A 10 8.509 18.905 0.948 1.00 73.02 C ATOM 73 H PHE A 10 9.470 25.276 -1.245 1.00 0.00 H ATOM 74 N LEU A 11 8.603 22.634 -3.075 1.00 59.73 N ATOM 75 CA LEU A 11 8.125 21.827 -4.182 1.00 63.05 C ATOM 76 C LEU A 11 9.198 21.727 -5.270 1.00 59.60 C ATOM 77 O LEU A 11 9.399 20.643 -5.847 1.00 58.97 O ATOM 78 CB LEU A 11 6.818 22.406 -4.736 1.00 66.64 C ATOM 79 CG LEU A 11 5.679 22.230 -3.723 1.00 71.08 C ATOM 80 CD1 LEU A 11 4.411 22.989 -4.151 1.00 73.86 C ATOM 81 CD2 LEU A 11 5.382 20.742 -3.556 1.00 67.03 C ATOM 82 H LEU A 11 8.087 23.497 -2.807 1.00 0.00 H ATOM 83 N VAL A 12 9.920 22.825 -5.519 1.00 57.09 N ATOM 84 CA VAL A 12 10.979 22.789 -6.532 1.00 64.70 C ATOM 85 C VAL A 12 12.024 21.751 -6.106 1.00 66.33 C ATOM 86 O VAL A 12 12.380 20.873 -6.912 1.00 69.21 O ATOM 87 CB VAL A 12 11.615 24.204 -6.768 1.00 71.20 C ATOM 88 CG1 VAL A 12 12.877 24.135 -7.681 1.00 58.32 C ATOM 89 CG2 VAL A 12 10.580 25.120 -7.373 1.00 69.56 C ATOM 90 H VAL A 12 9.730 23.703 -4.995 1.00 0.00 H ATOM 91 N ALA A 13 12.468 21.836 -4.849 1.00 61.13 N ATOM 92 CA ALA A 13 13.444 20.899 -4.292 1.00 61.88 C ATOM 93 C ALA A 13 12.964 19.464 -4.384 1.00 62.23 C ATOM 94 O ALA A 13 13.711 18.569 -4.784 1.00 66.66 O ATOM 95 CB ALA A 13 13.733 21.252 -2.839 1.00 63.59 C ATOM 96 H ALA A 13 12.105 22.599 -4.242 1.00 0.00 H ATOM 97 N ARG A 14 11.700 19.253 -4.047 1.00 59.42 N ATOM 98 CA ARG A 14 11.079 17.945 -4.182 1.00 59.60 C ATOM 99 C ARG A 14 11.155 17.414 -5.628 1.00 60.87 C ATOM 100 O ARG A 14 11.441 16.215 -5.854 1.00 53.12 O ATOM 101 CB ARG A 14 9.620 18.047 -3.740 1.00 59.62 C ATOM 102 CG ARG A 14 8.981 16.744 -3.337 1.00 67.58 C ATOM 103 CD ARG A 14 7.593 16.952 -2.688 1.00 76.07 C ATOM 104 NE ARG A 14 6.535 16.937 -3.684 1.00 85.79 N ATOM 105 CZ ARG A 14 5.714 15.914 -3.889 1.00 89.07 C ATOM 106 NH1 ARG A 14 5.819 14.817 -3.161 1.00 89.71 N ATOM 107 NH2 ARG A 14 4.792 15.993 -4.829 1.00 92.15 N ATOM 108 HE ARG A 14 6.413 17.784 -4.275 1.00 0.00 H ATOM 109 HH12 ARG A 14 5.173 14.019 -3.327 1.00 0.00 H ATOM 110 HH11 ARG A 14 6.548 14.751 -2.422 1.00 0.00 H ATOM 111 HH22 ARG A 14 4.147 15.194 -4.993 1.00 0.00 H ATOM 112 HH21 ARG A 14 4.710 16.854 -5.406 1.00 0.00 H ATOM 113 H ARG A 14 11.137 20.044 -3.676 1.00 0.00 H ATOM 114 N GLU A 15 10.855 18.278 -6.602 1.00 64.50 N ATOM 115 CA GLU A 15 10.884 17.867 -8.016 1.00 66.08 C ATOM 116 C GLU A 15 12.292 17.490 -8.494 1.00 62.86 C ATOM 117 O GLU A 15 12.472 16.520 -9.230 1.00 61.66 O ATOM 118 CB GLU A 15 10.317 18.959 -8.947 1.00 68.86 C ATOM 119 CG GLU A 15 8.809 19.010 -9.036 1.00 71.49 C ATOM 120 CD GLU A 15 8.150 17.689 -9.442 1.00 73.48 C ATOM 121 OE1 GLU A 15 7.003 17.483 -8.992 1.00 71.27 O ATOM 122 OE2 GLU A 15 8.731 16.870 -10.210 1.00 76.77 O ATOM 123 H GLU A 15 10.597 19.256 -6.358 1.00 0.00 H ATOM 124 N GLU A 16 13.287 18.264 -8.085 1.00 64.55 N ATOM 125 CA GLU A 16 14.662 17.960 -8.473 1.00 69.25 C ATOM 126 C GLU A 16 15.070 16.558 -8.018 1.00 68.82 C ATOM 127 O GLU A 16 15.723 15.809 -8.776 1.00 64.00 O ATOM 128 CB GLU A 16 15.622 18.980 -7.882 1.00 73.64 C ATOM 129 CG GLU A 16 15.502 20.345 -8.473 1.00 79.33 C ATOM 130 CD GLU A 16 16.624 21.251 -8.036 1.00 87.56 C ATOM 131 OE1 GLU A 16 16.737 21.523 -6.825 1.00 87.59 O ATOM 132 OE2 GLU A 16 17.393 21.696 -8.916 1.00 95.10 O ATOM 133 H GLU A 16 13.088 19.090 -7.486 1.00 0.00 H ATOM 134 N LEU A 17 14.676 16.204 -6.787 1.00 69.75 N ATOM 135 CA LEU A 17 15.058 14.916 -6.222 1.00 67.92 C ATOM 136 C LEU A 17 14.263 13.777 -6.869 1.00 64.66 C ATOM 137 O LEU A 17 14.823 12.718 -7.192 1.00 62.99 O ATOM 138 CB LEU A 17 14.926 14.918 -4.697 1.00 67.43 C ATOM 139 CG LEU A 17 15.855 15.951 -4.037 1.00 71.58 C ATOM 140 CD1 LEU A 17 15.737 15.920 -2.520 1.00 75.56 C ATOM 141 CD2 LEU A 17 17.306 15.738 -4.445 1.00 70.56 C ATOM 142 H LEU A 17 14.090 16.857 -6.228 1.00 0.00 H ATOM 143 N ALA A 18 12.976 14.001 -7.097 1.00 63.39 N ATOM 144 CA ALA A 18 12.172 13.018 -7.813 1.00 65.48 C ATOM 145 C ALA A 18 12.713 12.768 -9.249 1.00 69.39 C ATOM 146 O ALA A 18 12.756 11.618 -9.729 1.00 67.66 O ATOM 147 CB ALA A 18 10.713 13.478 -7.860 1.00 61.30 C ATOM 148 H ALA A 18 12.538 14.883 -6.763 1.00 0.00 H ATOM 149 N SER A 19 13.145 13.828 -9.928 1.00 68.16 N ATOM 150 CA SER A 19 13.679 13.666 -11.281 1.00 68.93 C ATOM 151 C SER A 19 14.952 12.865 -11.225 1.00 67.83 C ATOM 152 O SER A 19 15.182 12.004 -12.093 1.00 65.92 O ATOM 153 CB SER A 19 13.939 15.015 -11.948 1.00 74.20 C ATOM 154 OG SER A 19 12.712 15.707 -12.125 1.00 81.01 O ATOM 155 HG SER A 19 12.287 15.853 -11.243 1.00 0.00 H ATOM 156 H SER A 19 13.103 14.773 -9.496 1.00 0.00 H ATOM 157 N ALA A 20 15.785 13.161 -10.223 1.00 66.61 N ATOM 158 CA ALA A 20 17.036 12.433 -10.036 1.00 66.68 C ATOM 159 C ALA A 20 16.770 10.938 -9.836 1.00 68.58 C ATOM 160 O ALA A 20 17.526 10.113 -10.338 1.00 71.51 O ATOM 161 CB ALA A 20 17.819 13.003 -8.841 1.00 66.30 C ATOM 162 H ALA A 20 15.537 13.926 -9.563 1.00 0.00 H ATOM 163 N LEU A 21 15.685 10.595 -9.134 1.00 67.97 N ATOM 164 CA LEU A 21 15.286 9.189 -8.971 1.00 68.32 C ATOM 165 C LEU A 21 14.830 8.537 -10.292 1.00 65.27 C ATOM 166 O LEU A 21 15.035 7.329 -10.485 1.00 62.28 O ATOM 167 CB LEU A 21 14.177 9.055 -7.935 1.00 66.71 C ATOM 168 CG LEU A 21 14.647 8.937 -6.485 1.00 70.49 C ATOM 169 CD1 LEU A 21 13.456 8.991 -5.510 1.00 68.62 C ATOM 170 CD2 LEU A 21 15.425 7.647 -6.346 1.00 71.06 C ATOM 171 H LEU A 21 15.109 11.340 -8.693 1.00 0.00 H ATOM 172 N ARG A 22 14.194 9.312 -11.173 1.00 64.25 N ATOM 173 CA ARG A 22 13.754 8.787 -12.481 1.00 67.67 C ATOM 174 C ARG A 22 14.941 8.464 -13.399 1.00 72.83 C ATOM 175 O ARG A 22 14.865 7.545 -14.219 1.00 78.75 O ATOM 176 CB ARG A 22 12.853 9.793 -13.221 1.00 64.99 C ATOM 177 CG ARG A 22 11.650 10.315 -12.448 1.00 67.69 C ATOM 178 CD ARG A 22 10.343 9.732 -12.917 1.00 74.93 C ATOM 179 NE ARG A 22 10.014 10.020 -14.311 1.00 82.35 N ATOM 180 CZ ARG A 22 9.351 11.100 -14.725 1.00 87.12 C ATOM 181 NH1 ARG A 22 8.982 12.033 -13.853 1.00 92.83 N ATOM 182 NH2 ARG A 22 9.079 11.260 -16.012 1.00 81.29 N ATOM 183 HE ARG A 22 10.318 9.334 -15.031 1.00 0.00 H ATOM 184 HH12 ARG A 22 8.465 12.874 -14.179 1.00 0.00 H ATOM 185 HH11 ARG A 22 9.210 11.922 -12.845 1.00 0.00 H ATOM 186 HH22 ARG A 22 8.562 12.103 -16.333 1.00 0.00 H ATOM 187 HH21 ARG A 22 9.383 10.542 -16.701 1.00 0.00 H ATOM 188 H ARG A 22 14.004 10.306 -10.933 1.00 0.00 H ATOM 189 N ARG A 23 16.018 9.239 -13.290 1.00 72.98 N ATOM 190 CA ARG A 23 17.223 8.996 -14.098 1.00 81.45 C ATOM 191 C ARG A 23 17.995 7.812 -13.558 1.00 78.83 C ATOM 192 O ARG A 23 18.435 6.945 -14.314 1.00 79.85 O ATOM 193 CB ARG A 23 18.126 10.233 -14.124 1.00 89.25 C ATOM 194 CG ARG A 23 17.436 11.483 -14.644 1.00 93.93 C ATOM 195 CD ARG A 23 18.395 12.663 -14.732 1.00100.83 C ATOM 196 NE ARG A 23 17.669 13.933 -14.656 1.00103.14 N ATOM 197 CZ ARG A 23 17.646 14.722 -13.586 1.00103.36 C ATOM 198 NH1 ARG A 23 18.315 14.379 -12.489 1.00104.16 N ATOM 199 NH2 ARG A 23 16.947 15.851 -13.611 1.00102.68 N ATOM 200 HE ARG A 23 17.136 14.238 -15.495 1.00 0.00 H ATOM 201 HH12 ARG A 23 18.296 14.998 -11.653 1.00 0.00 H ATOM 202 HH11 ARG A 23 18.858 13.492 -12.467 1.00 0.00 H ATOM 203 HH22 ARG A 23 16.928 16.469 -12.775 1.00 0.00 H ATOM 204 HH21 ARG A 23 16.419 16.117 -14.467 1.00 0.00 H ATOM 205 H ARG A 23 16.007 10.034 -12.619 1.00 0.00 H ATOM 206 N ASP A 24 18.186 7.799 -12.247 1.00 72.52 N ATOM 207 CA ASP A 24 18.853 6.671 -11.605 1.00 72.85 C ATOM 208 C ASP A 24 18.067 6.239 -10.359 1.00 74.76 C ATOM 209 O ASP A 24 18.061 6.935 -9.339 1.00 72.96 O ATOM 210 CB ASP A 24 20.305 7.025 -11.299 1.00 70.05 C ATOM 211 CG ASP A 24 21.088 5.859 -10.734 1.00 76.47 C ATOM 212 OD1 ASP A 24 20.547 4.732 -10.667 1.00 76.67 O ATOM 213 OD2 ASP A 24 22.283 6.045 -10.431 1.00 83.58 O ATOM 214 H ASP A 24 17.858 8.600 -11.670 1.00 0.00 H ATOM 215 N SER A 25 17.398 5.090 -10.462 1.00 76.06 N ATOM 216 CA SER A 25 16.531 4.585 -9.396 1.00 78.77 C ATOM 217 C SER A 25 17.355 4.028 -8.250 1.00 75.14 C ATOM 218 O SER A 25 16.812 3.735 -7.179 1.00 76.58 O ATOM 219 CB SER A 25 15.610 3.483 -9.925 1.00 83.42 C ATOM 220 OG SER A 25 16.349 2.327 -10.302 1.00 86.83 O ATOM 221 HG SER A 25 15.727 1.634 -10.639 1.00 0.00 H ATOM 222 H SER A 25 17.496 4.531 -11.333 1.00 0.00 H ATOM 223 N GLY A 26 18.662 3.887 -8.489 1.00 70.89 N ATOM 224 CA GLY A 26 19.591 3.385 -7.488 1.00 72.19 C ATOM 225 C GLY A 26 20.363 4.505 -6.788 1.00 75.17 C ATOM 226 O GLY A 26 21.172 4.258 -5.893 1.00 82.05 O ATOM 227 H GLY A 26 19.030 4.146 -9.427 1.00 0.00 H ATOM 228 N GLN A 27 20.105 5.739 -7.209 1.00 71.39 N ATOM 229 CA GLN A 27 20.693 6.936 -6.618 1.00 73.85 C ATOM 230 C GLN A 27 20.429 7.047 -5.086 1.00 86.31 C ATOM 231 O GLN A 27 19.291 6.927 -4.606 1.00 84.67 O ATOM 232 CB GLN A 27 20.131 8.154 -7.367 1.00 76.50 C ATOM 233 CG GLN A 27 20.304 9.453 -6.667 1.00 81.65 C ATOM 234 CD GLN A 27 21.439 10.259 -7.242 1.00 87.78 C ATOM 235 OE1 GLN A 27 21.724 10.188 -8.438 1.00 91.89 O ATOM 236 NE2 GLN A 27 22.142 10.990 -6.375 1.00 90.93 N ATOM 237 HE22 GLN A 27 21.863 11.019 -5.374 1.00 0.00 H ATOM 238 HE21 GLN A 27 22.969 11.530 -6.701 1.00 0.00 H ATOM 239 H GLN A 27 19.446 5.858 -8.005 1.00 0.00 H ATOM 240 N ALA A 28 21.479 7.331 -4.328 1.00 86.74 N ATOM 241 CA ALA A 28 21.359 7.433 -2.880 1.00 85.62 C ATOM 242 C ALA A 28 21.466 8.905 -2.525 1.00 87.78 C ATOM 243 O ALA A 28 22.227 9.643 -3.162 1.00 91.38 O ATOM 244 CB ALA A 28 22.451 6.621 -2.189 1.00 81.34 C ATOM 245 H ALA A 28 22.405 7.484 -4.775 1.00 0.00 H ATOM 246 N PHE A 29 20.648 9.368 -1.585 1.00 83.83 N ATOM 247 CA PHE A 29 20.726 10.779 -1.222 1.00 82.10 C ATOM 248 C PHE A 29 21.352 10.965 0.145 1.00 78.67 C ATOM 249 O PHE A 29 20.983 10.293 1.105 1.00 76.63 O ATOM 250 CB PHE A 29 19.353 11.447 -1.309 1.00 81.23 C ATOM 251 CG PHE A 29 18.762 11.451 -2.707 1.00 79.68 C ATOM 252 CD1 PHE A 29 19.113 12.450 -3.617 1.00 80.17 C ATOM 253 CD2 PHE A 29 17.873 10.461 -3.123 1.00 76.47 C ATOM 254 CE1 PHE A 29 18.576 12.473 -4.922 1.00 75.02 C ATOM 255 CE2 PHE A 29 17.339 10.479 -4.433 1.00 75.21 C ATOM 256 CZ PHE A 29 17.694 11.486 -5.319 1.00 71.92 C ATOM 257 H PHE A 29 19.966 8.737 -1.118 1.00 0.00 H ATOM 258 N SER A 30 22.286 11.906 0.221 1.00 78.72 N ATOM 259 CA SER A 30 22.980 12.199 1.466 1.00 77.44 C ATOM 260 C SER A 30 22.129 13.128 2.299 1.00 75.46 C ATOM 261 O SER A 30 21.241 13.807 1.753 1.00 73.15 O ATOM 262 CB SER A 30 24.324 12.864 1.161 1.00 77.45 C ATOM 263 OG SER A 30 24.135 14.190 0.694 1.00 73.54 O ATOM 264 HG SER A 30 23.592 14.173 -0.133 1.00 0.00 H ATOM 265 H SER A 30 22.528 12.448 -0.633 1.00 0.00 H ATOM 266 N LEU A 31 22.454 13.241 3.591 1.00 68.08 N ATOM 267 CA LEU A 31 21.671 14.112 4.444 1.00 71.68 C ATOM 268 C LEU A 31 21.885 15.531 3.974 1.00 75.22 C ATOM 269 O LEU A 31 20.945 16.337 3.989 1.00 77.40 O ATOM 270 CB LEU A 31 22.077 13.962 5.921 1.00 73.13 C ATOM 271 CG LEU A 31 21.754 12.592 6.503 1.00 72.28 C ATOM 272 CD1 LEU A 31 22.371 12.368 7.876 1.00 75.66 C ATOM 273 CD2 LEU A 31 20.253 12.540 6.602 1.00 71.26 C ATOM 274 H LEU A 31 23.259 12.710 3.979 1.00 0.00 H ATOM 275 N GLU A 32 23.075 15.787 3.434 1.00 78.67 N ATOM 276 CA GLU A 32 23.394 17.097 2.886 1.00 88.67 C ATOM 277 C GLU A 32 22.477 17.413 1.691 1.00 88.37 C ATOM 278 O GLU A 32 22.040 18.553 1.523 1.00 92.76 O ATOM 279 CB GLU A 32 24.878 17.139 2.468 1.00 97.10 C ATOM 280 CG GLU A 32 25.384 18.489 1.940 1.00103.04 C ATOM 281 CD GLU A 32 26.904 18.556 1.803 1.00110.13 C ATOM 282 OE1 GLU A 32 27.612 17.651 2.300 1.00111.28 O ATOM 283 OE2 GLU A 32 27.395 19.528 1.196 1.00115.65 O ATOM 284 H GLU A 32 23.792 15.034 3.403 1.00 0.00 H ATOM 285 N GLN A 33 22.155 16.403 0.889 1.00 83.52 N ATOM 286 CA GLN A 33 21.230 16.579 -0.229 1.00 85.98 C ATOM 287 C GLN A 33 19.794 16.855 0.224 1.00 83.64 C ATOM 288 O GLN A 33 19.078 17.667 -0.357 1.00 85.79 O ATOM 289 CB GLN A 33 21.237 15.325 -1.112 1.00 87.66 C ATOM 290 CG GLN A 33 22.530 15.095 -1.859 1.00 92.49 C ATOM 291 CD GLN A 33 22.536 13.808 -2.660 1.00 94.79 C ATOM 292 OE1 GLN A 33 23.032 12.774 -2.197 1.00 95.28 O ATOM 293 NE2 GLN A 33 21.976 13.858 -3.867 1.00 96.04 N ATOM 294 HE22 GLN A 33 21.571 14.750 -4.216 1.00 0.00 H ATOM 295 HE21 GLN A 33 21.944 13.005 -4.461 1.00 0.00 H ATOM 296 H GLN A 33 22.571 15.465 1.061 1.00 0.00 H ATOM 297 N LEU A 34 19.374 16.152 1.263 1.00 78.08 N ATOM 298 CA LEU A 34 18.003 16.224 1.716 1.00 72.47 C ATOM 299 C LEU A 34 17.768 17.439 2.640 1.00 73.92 C ATOM 300 O LEU A 34 16.627 17.713 3.001 1.00 66.05 O ATOM 301 CB LEU A 34 17.638 14.917 2.426 1.00 67.27 C ATOM 302 CG LEU A 34 17.789 13.648 1.585 1.00 64.11 C ATOM 303 CD1 LEU A 34 17.545 12.384 2.415 1.00 59.61 C ATOM 304 CD2 LEU A 34 16.827 13.698 0.388 1.00 67.93 C ATOM 305 H LEU A 34 20.044 15.535 1.764 1.00 0.00 H ATOM 306 N ARG A 35 18.837 18.152 3.018 1.00 80.49 N ATOM 307 CA ARG A 35 18.734 19.270 3.977 1.00 87.64 C ATOM 308 C ARG A 35 17.576 20.274 3.753 1.00 92.08 C ATOM 309 O ARG A 35 16.796 20.522 4.695 1.00 91.95 O ATOM 310 CB ARG A 35 20.073 20.028 4.101 1.00 89.97 C ATOM 311 H ARG A 35 19.769 17.911 2.624 1.00 0.00 H ATOM 312 N PRO A 36 17.424 20.813 2.515 1.00 93.58 N ATOM 313 CA PRO A 36 16.345 21.790 2.280 1.00 94.37 C ATOM 314 C PRO A 36 14.947 21.196 2.449 1.00 90.80 C ATOM 315 O PRO A 36 14.007 21.913 2.781 1.00 94.07 O ATOM 316 CB PRO A 36 16.553 22.213 0.813 1.00 96.83 C ATOM 317 CG PRO A 36 17.336 21.094 0.189 1.00 96.59 C ATOM 318 CD PRO A 36 18.245 20.619 1.303 1.00 96.01 C ATOM 319 N LEU A 37 14.813 19.895 2.227 1.00 86.36 N ATOM 320 CA LEU A 37 13.544 19.228 2.484 1.00 84.00 C ATOM 321 C LEU A 37 13.359 18.922 3.994 1.00 85.09 C ATOM 322 O LEU A 37 12.233 18.797 4.471 1.00 87.91 O ATOM 323 CB LEU A 37 13.423 17.944 1.635 1.00 81.85 C ATOM 324 CG LEU A 37 13.458 17.991 0.088 1.00 79.50 C ATOM 325 CD1 LEU A 37 13.102 16.637 -0.485 1.00 77.38 C ATOM 326 CD2 LEU A 37 12.473 18.999 -0.453 1.00 75.90 C ATOM 327 H LEU A 37 15.620 19.347 1.867 1.00 0.00 H ATOM 328 N LEU A 38 14.457 18.810 4.742 1.00 84.23 N ATOM 329 CA LEU A 38 14.395 18.491 6.170 1.00 84.76 C ATOM 330 C LEU A 38 14.237 19.762 7.012 1.00 88.83 C ATOM 331 O LEU A 38 13.471 19.776 7.979 1.00 85.78 O ATOM 332 CB LEU A 38 15.648 17.708 6.609 1.00 79.14 C ATOM 333 CG LEU A 38 15.831 16.320 5.966 1.00 71.69 C ATOM 334 CD1 LEU A 38 17.250 15.779 6.118 1.00 68.22 C ATOM 335 CD2 LEU A 38 14.825 15.322 6.548 1.00 68.76 C ATOM 336 H LEU A 38 15.386 18.954 4.298 1.00 0.00 H ATOM 337 N ALA A 39 14.913 20.841 6.610 1.00 93.93 N ATOM 338 CA ALA A 39 14.983 22.040 7.449 1.00 97.13 C ATOM 339 C ALA A 39 13.734 22.900 7.381 1.00 97.61 C ATOM 340 O ALA A 39 13.590 23.857 8.148 1.00101.19 O ATOM 341 CB ALA A 39 16.198 22.877 7.060 1.00 98.50 C ATOM 342 H ALA A 39 15.396 20.830 5.689 1.00 0.00 H ATOM 343 N SER A 40 12.821 22.553 6.482 1.00 95.00 N ATOM 344 CA SER A 40 11.631 23.367 6.311 1.00 94.47 C ATOM 345 C SER A 40 10.712 23.337 7.542 1.00 96.96 C ATOM 346 O SER A 40 10.567 22.309 8.217 1.00 95.23 O ATOM 347 CB SER A 40 10.865 22.925 5.072 1.00 88.14 C ATOM 348 OG SER A 40 9.581 23.499 5.099 1.00 86.81 O ATOM 349 HG SER A 40 9.077 23.215 4.295 1.00 0.00 H ATOM 350 H SER A 40 12.958 21.701 5.902 1.00 0.00 H ATOM 351 N SER A 41 10.064 24.472 7.790 1.00 99.36 N ATOM 352 CA SER A 41 9.133 24.626 8.900 1.00101.16 C ATOM 353 C SER A 41 7.692 24.535 8.406 1.00 98.85 C ATOM 354 O SER A 41 6.754 24.851 9.133 1.00101.98 O ATOM 355 CB SER A 41 9.356 25.961 9.632 1.00106.43 C ATOM 356 OG SER A 41 10.525 25.943 10.443 1.00107.86 O ATOM 357 HG SER A 41 10.627 26.819 10.892 1.00 0.00 H ATOM 358 H SER A 41 10.229 25.286 7.164 1.00 0.00 H ATOM 359 N LEU A 42 7.521 24.143 7.151 1.00 94.39 N ATOM 360 CA LEU A 42 6.193 23.931 6.594 1.00 89.87 C ATOM 361 C LEU A 42 5.501 22.790 7.347 1.00 86.61 C ATOM 362 O LEU A 42 6.170 21.930 7.907 1.00 85.65 O ATOM 363 CB LEU A 42 6.314 23.628 5.106 1.00 86.15 C ATOM 364 CG LEU A 42 6.555 24.891 4.275 1.00 88.62 C ATOM 365 CD1 LEU A 42 7.193 24.538 2.935 1.00 85.41 C ATOM 366 CD2 LEU A 42 5.258 25.668 4.091 1.00 90.85 C ATOM 367 H LEU A 42 8.355 23.983 6.551 1.00 0.00 H ATOM 368 N PRO A 43 4.158 22.795 7.393 1.00 86.91 N ATOM 369 CA PRO A 43 3.426 21.687 8.025 1.00 85.90 C ATOM 370 C PRO A 43 3.573 20.409 7.199 1.00 85.35 C ATOM 371 O PRO A 43 3.961 20.494 6.034 1.00 85.41 O ATOM 372 CB PRO A 43 1.965 22.152 7.971 1.00 87.55 C ATOM 373 CG PRO A 43 2.027 23.632 7.750 1.00 91.49 C ATOM 374 CD PRO A 43 3.249 23.844 6.900 1.00 90.31 C ATOM 375 N LEU A 44 3.205 19.264 7.764 1.00 83.92 N ATOM 376 CA LEU A 44 3.373 17.983 7.082 1.00 84.68 C ATOM 377 C LEU A 44 2.518 17.875 5.805 1.00 85.17 C ATOM 378 O LEU A 44 2.966 17.339 4.780 1.00 82.22 O ATOM 379 CB LEU A 44 3.038 16.853 8.066 1.00 83.20 C ATOM 380 CG LEU A 44 4.112 16.557 9.129 1.00 82.57 C ATOM 381 CD1 LEU A 44 3.574 15.643 10.222 1.00 82.55 C ATOM 382 CD2 LEU A 44 5.367 15.935 8.503 1.00 80.49 C ATOM 383 H LEU A 44 2.787 19.280 8.716 1.00 0.00 H ATOM 384 N ALA A 45 1.309 18.430 5.861 1.00 87.43 N ATOM 385 CA ALA A 45 0.369 18.335 4.750 1.00 89.52 C ATOM 386 C ALA A 45 0.903 19.032 3.515 1.00 87.17 C ATOM 387 O ALA A 45 0.603 18.620 2.385 1.00 89.99 O ATOM 388 CB ALA A 45 -0.973 18.933 5.152 1.00 93.05 C ATOM 389 H ALA A 45 1.028 18.945 6.720 1.00 0.00 H ATOM 390 N ALA A 46 1.730 20.055 3.734 1.00 82.85 N ATOM 391 CA ALA A 46 2.288 20.838 2.634 1.00 78.31 C ATOM 392 C ALA A 46 3.629 20.273 2.195 1.00 75.42 C ATOM 393 O ALA A 46 4.195 20.724 1.202 1.00 74.52 O ATOM 394 CB ALA A 46 2.439 22.319 3.036 1.00 74.87 C ATOM 395 H ALA A 46 1.984 20.301 4.712 1.00 0.00 H ATOM 396 N ARG A 47 4.145 19.296 2.942 1.00 72.41 N ATOM 397 CA ARG A 47 5.437 18.706 2.589 1.00 71.41 C ATOM 398 C ARG A 47 5.290 17.278 2.048 1.00 67.40 C ATOM 399 O ARG A 47 6.060 16.840 1.190 1.00 67.14 O ATOM 400 CB ARG A 47 6.382 18.751 3.796 1.00 73.50 C ATOM 401 CG ARG A 47 6.959 20.145 4.068 1.00 80.62 C ATOM 402 CD ARG A 47 7.468 20.299 5.501 1.00 85.70 C ATOM 403 NE ARG A 47 8.611 19.437 5.778 1.00 88.67 N ATOM 404 CZ ARG A 47 8.612 18.443 6.657 1.00 87.53 C ATOM 405 NH1 ARG A 47 7.526 18.166 7.367 1.00 83.30 N ATOM 406 NH2 ARG A 47 9.711 17.718 6.809 1.00 91.91 N ATOM 407 HE ARG A 47 9.488 19.614 5.249 1.00 0.00 H ATOM 408 HH12 ARG A 47 7.539 17.384 8.053 1.00 0.00 H ATOM 409 HH11 ARG A 47 6.662 18.730 7.238 1.00 0.00 H ATOM 410 HH22 ARG A 47 9.727 16.936 7.494 1.00 0.00 H ATOM 411 HH21 ARG A 47 10.557 17.931 6.243 1.00 0.00 H ATOM 412 H ARG A 47 3.628 18.953 3.777 1.00 0.00 H ATOM 413 N TYR A 48 4.272 16.569 2.526 1.00 63.77 N ATOM 414 CA TYR A 48 3.999 15.221 2.042 1.00 66.47 C ATOM 415 C TYR A 48 2.685 15.259 1.254 1.00 66.28 C ATOM 416 O TYR A 48 1.594 15.370 1.847 1.00 66.82 O ATOM 417 CB TYR A 48 3.956 14.206 3.215 1.00 64.64 C ATOM 418 CG TYR A 48 5.299 13.994 3.885 1.00 63.98 C ATOM 419 CD1 TYR A 48 5.721 14.797 4.952 1.00 66.01 C ATOM 420 CD2 TYR A 48 6.182 13.037 3.398 1.00 62.63 C ATOM 421 CE1 TYR A 48 6.991 14.600 5.554 1.00 67.12 C ATOM 422 CE2 TYR A 48 7.437 12.835 3.974 1.00 64.94 C ATOM 423 CZ TYR A 48 7.844 13.611 5.042 1.00 65.99 C ATOM 424 OH TYR A 48 9.099 13.360 5.563 1.00 66.99 O ATOM 425 HH TYR A 48 9.271 13.977 6.318 1.00 0.00 H ATOM 426 H TYR A 48 3.660 16.983 3.258 1.00 0.00 H ATOM 427 N LEU A 49 2.804 15.243 -0.077 1.00 63.38 N ATOM 428 CA LEU A 49 1.637 15.405 -0.955 1.00 66.95 C ATOM 429 C LEU A 49 0.958 14.081 -1.279 1.00 67.65 C ATOM 430 O LEU A 49 -0.261 14.047 -1.523 1.00 69.95 O ATOM 431 CB LEU A 49 1.999 16.150 -2.249 1.00 65.28 C ATOM 432 CG LEU A 49 2.509 17.572 -2.019 1.00 65.16 C ATOM 433 CD1 LEU A 49 2.760 18.256 -3.334 1.00 63.87 C ATOM 434 CD2 LEU A 49 1.542 18.372 -1.150 1.00 66.86 C ATOM 435 H LEU A 49 3.745 15.113 -0.501 1.00 0.00 H ATOM 436 N GLN A 50 1.736 12.997 -1.272 1.00 65.04 N ATOM 437 CA GLN A 50 1.162 11.680 -1.556 1.00 65.84 C ATOM 438 C GLN A 50 1.081 10.844 -0.277 1.00 63.49 C ATOM 439 O GLN A 50 -0.005 10.346 0.075 1.00 58.29 O ATOM 440 CB GLN A 50 1.974 10.936 -2.642 1.00 69.59 C ATOM 441 CG GLN A 50 1.909 11.591 -4.037 1.00 78.59 C ATOM 442 CD GLN A 50 0.461 11.869 -4.485 1.00 86.50 C ATOM 443 OE1 GLN A 50 -0.436 11.015 -4.351 1.00 87.50 O ATOM 444 NE2 GLN A 50 0.219 13.098 -4.954 1.00 90.34 N ATOM 445 HE22 GLN A 50 0.998 13.781 -5.050 1.00 0.00 H ATOM 446 HE21 GLN A 50 -0.748 13.371 -5.223 1.00 0.00 H ATOM 447 H GLN A 50 2.751 13.087 -1.065 1.00 0.00 H ATOM 448 N LEU A 51 2.218 10.716 0.422 1.00 62.64 N ATOM 449 CA LEU A 51 2.273 9.979 1.694 1.00 65.84 C ATOM 450 C LEU A 51 1.411 10.635 2.764 1.00 65.27 C ATOM 451 O LEU A 51 1.501 11.839 2.986 1.00 63.68 O ATOM 452 CB LEU A 51 3.701 9.931 2.258 1.00 66.27 C ATOM 453 CG LEU A 51 4.535 8.651 2.190 1.00 68.48 C ATOM 454 CD1 LEU A 51 5.621 8.676 3.267 1.00 66.75 C ATOM 455 CD2 LEU A 51 3.711 7.370 2.266 1.00 69.45 C ATOM 456 H LEU A 51 3.088 11.151 0.054 1.00 0.00 H ATOM 457 N ASP A 52 0.607 9.840 3.450 1.00 67.96 N ATOM 458 CA ASP A 52 -0.100 10.326 4.617 1.00 74.27 C ATOM 459 C ASP A 52 0.823 10.163 5.849 1.00 75.20 C ATOM 460 O ASP A 52 0.639 9.276 6.698 1.00 76.93 O ATOM 461 CB ASP A 52 -1.414 9.553 4.755 1.00 78.80 C ATOM 462 CG ASP A 52 -2.463 10.322 5.521 1.00 85.12 C ATOM 463 OD1 ASP A 52 -2.108 11.250 6.310 1.00 86.45 O ATOM 464 OD2 ASP A 52 -3.654 10.027 5.275 1.00 89.06 O ATOM 465 H ASP A 52 0.481 8.853 3.148 1.00 0.00 H ATOM 466 N ALA A 53 1.802 11.056 5.951 1.00 73.03 N ATOM 467 CA ALA A 53 2.879 10.904 6.928 1.00 69.61 C ATOM 468 C ALA A 53 2.381 10.961 8.375 1.00 67.88 C ATOM 469 O ALA A 53 2.771 10.135 9.208 1.00 66.21 O ATOM 470 CB ALA A 53 3.973 11.946 6.668 1.00 67.16 C ATOM 471 H ALA A 53 1.802 11.883 5.320 1.00 0.00 H ATOM 472 N ALA A 54 1.523 11.930 8.679 1.00 70.04 N ATOM 473 CA ALA A 54 1.006 12.087 10.050 1.00 69.47 C ATOM 474 C ALA A 54 0.231 10.857 10.500 1.00 74.04 C ATOM 475 O ALA A 54 0.446 10.354 11.601 1.00 77.48 O ATOM 476 CB ALA A 54 0.151 13.339 10.169 1.00 63.84 C ATOM 477 H ALA A 54 1.211 12.588 7.937 1.00 0.00 H ATOM 478 N ARG A 55 -0.657 10.353 9.649 1.00 74.37 N ATOM 479 CA ARG A 55 -1.369 9.134 10.002 1.00 75.02 C ATOM 480 C ARG A 55 -0.402 7.955 10.116 1.00 73.38 C ATOM 481 O ARG A 55 -0.586 7.087 10.981 1.00 73.38 O ATOM 482 CB ARG A 55 -2.453 8.822 8.978 1.00 79.83 C ATOM 483 CG ARG A 55 -3.604 9.805 8.953 1.00 88.40 C ATOM 484 CD ARG A 55 -4.845 9.145 8.352 1.00 96.09 C ATOM 485 NE ARG A 55 -6.048 9.962 8.497 1.00103.39 N ATOM 486 CZ ARG A 55 -6.449 10.871 7.614 1.00108.13 C ATOM 487 NH1 ARG A 55 -5.735 11.095 6.516 1.00107.27 N ATOM 488 NH2 ARG A 55 -7.557 11.572 7.838 1.00112.16 N ATOM 489 HE ARG A 55 -6.629 9.823 9.348 1.00 0.00 H ATOM 490 HH12 ARG A 55 -6.051 11.807 5.827 1.00 0.00 H ATOM 491 HH11 ARG A 55 -4.860 10.559 6.346 1.00 0.00 H ATOM 492 HH22 ARG A 55 -7.871 12.283 7.147 1.00 0.00 H ATOM 493 HH21 ARG A 55 -8.109 11.409 8.704 1.00 0.00 H ATOM 494 H ARG A 55 -0.841 10.825 8.741 1.00 0.00 H ATOM 495 N LEU A 56 0.626 7.910 9.260 1.00 71.17 N ATOM 496 CA LEU A 56 1.596 6.814 9.334 1.00 69.58 C ATOM 497 C LEU A 56 2.303 6.797 10.687 1.00 71.25 C ATOM 498 O LEU A 56 2.541 5.725 11.268 1.00 71.68 O ATOM 499 CB LEU A 56 2.642 6.921 8.224 1.00 72.06 C ATOM 500 CG LEU A 56 2.394 6.054 6.984 1.00 76.58 C ATOM 501 CD1 LEU A 56 3.459 6.283 5.920 1.00 76.87 C ATOM 502 CD2 LEU A 56 2.299 4.570 7.365 1.00 78.29 C ATOM 503 H LEU A 56 0.737 8.654 8.542 1.00 0.00 H ATOM 504 N VAL A 57 2.659 7.989 11.166 1.00 69.40 N ATOM 505 CA VAL A 57 3.341 8.131 12.435 1.00 69.46 C ATOM 506 C VAL A 57 2.326 7.994 13.570 1.00 68.41 C ATOM 507 O VAL A 57 2.390 7.048 14.347 1.00 64.62 O ATOM 508 CB VAL A 57 4.098 9.482 12.498 1.00 68.20 C ATOM 509 CG1 VAL A 57 4.621 9.771 13.921 1.00 70.26 C ATOM 510 CG2 VAL A 57 5.224 9.462 11.516 1.00 60.71 C ATOM 511 H VAL A 57 2.440 8.842 10.612 1.00 0.00 H ATOM 512 N ARG A 58 1.343 8.883 13.604 1.00 67.93 N ATOM 513 CA ARG A 58 0.422 8.926 14.726 1.00 73.30 C ATOM 514 C ARG A 58 -0.332 7.591 14.930 1.00 75.14 C ATOM 515 O ARG A 58 -0.476 7.143 16.082 1.00 78.08 O ATOM 516 CB ARG A 58 -0.544 10.137 14.596 1.00 53.80 C ATOM 517 H ARG A 58 1.230 9.556 12.819 1.00 0.00 H ATOM 518 N CYS A 59 -0.741 6.904 13.856 1.00 66.86 N ATOM 519 CA CYS A 59 -1.555 5.688 14.053 1.00 63.57 C ATOM 520 C CYS A 59 -0.702 4.497 14.415 1.00 66.52 C ATOM 521 O CYS A 59 -1.228 3.412 14.687 1.00 72.29 O ATOM 522 CB CYS A 59 -2.403 5.341 12.809 1.00 64.60 C ATOM 523 SG CYS A 59 -3.556 6.618 12.293 1.00 81.73 S ATOM 524 H CYS A 59 -0.489 7.222 12.898 1.00 0.00 H ATOM 525 N ASN A 60 0.616 4.686 14.393 1.00 63.93 N ATOM 526 CA ASN A 60 1.527 3.611 14.793 1.00 65.93 C ATOM 527 C ASN A 60 2.384 3.949 15.992 1.00 66.94 C ATOM 528 O ASN A 60 3.317 3.217 16.298 1.00 67.07 O ATOM 529 CB ASN A 60 2.446 3.230 13.651 1.00 63.89 C ATOM 530 CG ASN A 60 1.717 2.514 12.568 1.00 66.16 C ATOM 531 OD1 ASN A 60 1.466 1.319 12.682 1.00 69.14 O ATOM 532 ND2 ASN A 60 1.343 3.236 11.518 1.00 65.90 N ATOM 533 HD22 ASN A 60 1.582 4.247 11.471 1.00 0.00 H ATOM 534 HD21 ASN A 60 0.811 2.790 10.743 1.00 0.00 H ATOM 535 H ASN A 60 1.001 5.603 14.090 1.00 0.00 H ATOM 536 N ALA A 61 2.052 5.045 16.668 1.00 69.43 N ATOM 537 CA ALA A 61 2.796 5.462 17.844 1.00 76.50 C ATOM 538 C ALA A 61 2.194 4.748 19.036 1.00 80.78 C ATOM 539 O ALA A 61 1.388 5.320 19.780 1.00 88.20 O ATOM 540 CB ALA A 61 2.729 6.984 18.011 1.00 78.72 C ATOM 541 H ALA A 61 1.243 5.615 16.348 1.00 0.00 H ATOM 542 N HIS A 62 2.538 3.476 19.187 1.00 80.62 N ATOM 543 CA HIS A 62 2.033 2.681 20.308 1.00 85.80 C ATOM 544 C HIS A 62 3.215 2.075 21.075 1.00 84.71 C ATOM 545 O HIS A 62 3.913 1.193 20.558 1.00 82.80 O ATOM 546 CB HIS A 62 1.084 1.589 19.799 1.00 88.57 C ATOM 547 H HIS A 62 3.178 3.035 18.496 1.00 0.00 H ATOM 548 N GLY A 63 3.442 2.558 22.301 1.00 83.27 N ATOM 549 CA GLY A 63 4.608 2.162 23.092 1.00 77.94 C ATOM 550 C GLY A 63 5.738 3.200 23.096 1.00 75.13 C ATOM 551 O GLY A 63 5.489 4.409 22.980 1.00 75.57 O ATOM 552 H GLY A 63 2.767 3.238 22.706 1.00 0.00 H ATOM 553 N GLU A 64 6.984 2.739 23.216 1.00 74.44 N ATOM 554 CA GLU A 64 8.142 3.648 23.254 1.00 74.90 C ATOM 555 C GLU A 64 8.586 4.025 21.846 1.00 73.39 C ATOM 556 O GLU A 64 8.756 3.144 20.999 1.00 72.64 O ATOM 557 CB GLU A 64 9.336 3.016 24.000 1.00 77.09 C ATOM 558 CG GLU A 64 9.066 2.636 25.451 1.00 82.90 C ATOM 559 CD GLU A 64 8.507 3.783 26.267 1.00 84.67 C ATOM 560 OE1 GLU A 64 9.130 4.872 26.293 1.00 87.75 O ATOM 561 OE2 GLU A 64 7.438 3.599 26.888 1.00 84.91 O ATOM 562 H GLU A 64 7.141 1.713 23.284 1.00 0.00 H ATOM 563 N PRO A 65 8.791 5.336 21.608 1.00 70.55 N ATOM 564 CA PRO A 65 9.204 5.853 20.297 1.00 68.98 C ATOM 565 C PRO A 65 10.386 5.068 19.772 1.00 72.34 C ATOM 566 O PRO A 65 10.438 4.725 18.576 1.00 73.42 O ATOM 567 CB PRO A 65 9.606 7.300 20.590 1.00 68.24 C ATOM 568 CG PRO A 65 8.921 7.664 21.924 1.00 69.64 C ATOM 569 CD PRO A 65 8.312 6.409 22.505 1.00 68.21 C ATOM 570 N ARG A 66 11.338 4.792 20.657 1.00 71.05 N ATOM 571 CA ARG A 66 12.513 4.024 20.276 1.00 73.54 C ATOM 572 C ARG A 66 12.119 2.663 19.696 1.00 76.23 C ATOM 573 O ARG A 66 12.938 2.006 19.056 1.00 79.87 O ATOM 574 CB ARG A 66 13.469 3.842 21.463 1.00 78.58 C ATOM 575 H ARG A 66 11.242 5.130 21.636 1.00 0.00 H ATOM 576 N ASN A 67 10.863 2.257 19.862 1.00 75.60 N ATOM 577 CA ASN A 67 10.440 1.017 19.222 1.00 77.54 C ATOM 578 C ASN A 67 9.538 1.293 18.035 1.00 75.44 C ATOM 579 O ASN A 67 9.784 0.790 16.935 1.00 76.81 O ATOM 580 CB ASN A 67 9.714 0.086 20.204 1.00 80.45 C ATOM 581 CG ASN A 67 10.623 -0.418 21.321 1.00 85.78 C ATOM 582 OD1 ASN A 67 10.577 0.093 22.451 1.00 86.66 O ATOM 583 ND2 ASN A 67 11.445 -1.424 21.016 1.00 84.76 N ATOM 584 HD22 ASN A 67 11.448 -1.820 20.054 1.00 0.00 H ATOM 585 HD21 ASN A 67 12.083 -1.812 21.740 1.00 0.00 H ATOM 586 H ASN A 67 10.197 2.812 20.436 1.00 0.00 H ATOM 587 N TYR A 68 8.550 2.158 18.208 1.00 70.62 N ATOM 588 CA TYR A 68 7.627 2.327 17.108 1.00 71.56 C ATOM 589 C TYR A 68 8.282 3.105 15.954 1.00 68.59 C ATOM 590 O TYR A 68 7.974 2.842 14.801 1.00 61.97 O ATOM 591 CB TYR A 68 6.262 2.880 17.555 1.00 72.60 C ATOM 592 CG TYR A 68 6.205 4.308 18.065 1.00 75.18 C ATOM 593 CD1 TYR A 68 6.445 5.389 17.223 1.00 76.38 C ATOM 594 CD2 TYR A 68 5.854 4.574 19.376 1.00 78.93 C ATOM 595 CE1 TYR A 68 6.371 6.693 17.685 1.00 79.19 C ATOM 596 CE2 TYR A 68 5.772 5.879 19.849 1.00 80.41 C ATOM 597 CZ TYR A 68 6.033 6.932 19.004 1.00 81.57 C ATOM 598 OH TYR A 68 5.960 8.234 19.471 1.00 83.98 O ATOM 599 HH TYR A 68 6.176 8.860 18.735 1.00 0.00 H ATOM 600 H TYR A 68 8.443 2.691 19.094 1.00 0.00 H ATOM 601 N LEU A 69 9.206 4.025 16.255 1.00 70.72 N ATOM 602 CA LEU A 69 9.914 4.740 15.182 1.00 72.52 C ATOM 603 C LEU A 69 10.818 3.778 14.421 1.00 75.65 C ATOM 604 O LEU A 69 11.090 3.969 13.222 1.00 71.64 O ATOM 605 CB LEU A 69 10.763 5.898 15.719 1.00 69.28 C ATOM 606 CG LEU A 69 10.070 7.096 16.367 1.00 73.73 C ATOM 607 CD1 LEU A 69 11.102 8.121 16.844 1.00 76.52 C ATOM 608 CD2 LEU A 69 9.105 7.739 15.386 1.00 73.16 C ATOM 609 H LEU A 69 9.424 4.235 17.250 1.00 0.00 H ATOM 610 N ASN A 70 11.273 2.734 15.107 1.00 77.88 N ATOM 611 CA ASN A 70 12.156 1.788 14.456 1.00 80.56 C ATOM 612 C ASN A 70 11.352 0.861 13.551 1.00 77.00 C ATOM 613 O ASN A 70 11.764 0.558 12.427 1.00 79.11 O ATOM 614 CB ASN A 70 12.964 1.005 15.488 1.00 87.57 C ATOM 615 CG ASN A 70 14.342 0.642 14.977 1.00 97.74 C ATOM 616 OD1 ASN A 70 14.578 -0.489 14.539 1.00103.74 O ATOM 617 ND2 ASN A 70 15.259 1.611 15.001 1.00 98.84 N ATOM 618 HD22 ASN A 70 15.015 2.549 15.379 1.00 0.00 H ATOM 619 HD21 ASN A 70 16.218 1.429 14.641 1.00 0.00 H ATOM 620 H ASN A 70 10.998 2.598 16.101 1.00 0.00 H ATOM 621 N THR A 71 10.178 0.469 14.029 1.00 72.18 N ATOM 622 CA THR A 71 9.265 -0.367 13.272 1.00 71.67 C ATOM 623 C THR A 71 8.818 0.344 12.002 1.00 69.39 C ATOM 624 O THR A 71 8.746 -0.263 10.938 1.00 72.85 O ATOM 625 CB THR A 71 8.011 -0.674 14.100 1.00 73.73 C ATOM 626 OG1 THR A 71 8.403 -1.201 15.373 1.00 78.87 O ATOM 627 CG2 THR A 71 7.111 -1.675 13.359 1.00 73.31 C ATOM 628 HG1 THR A 71 7.595 -1.400 15.909 1.00 0.00 H ATOM 629 H THR A 71 9.901 0.773 14.984 1.00 0.00 H ATOM 630 N LEU A 72 8.509 1.633 12.147 1.00 62.60 N ATOM 631 CA LEU A 72 8.109 2.500 11.057 1.00 65.55 C ATOM 632 C LEU A 72 9.245 2.601 10.045 1.00 64.21 C ATOM 633 O LEU A 72 9.006 2.538 8.840 1.00 58.99 O ATOM 634 CB LEU A 72 7.740 3.872 11.606 1.00 68.12 C ATOM 635 CG LEU A 72 6.245 3.960 11.900 1.00 73.03 C ATOM 636 CD1 LEU A 72 5.905 5.302 12.521 1.00 71.88 C ATOM 637 CD2 LEU A 72 5.452 3.716 10.601 1.00 74.47 C ATOM 638 H LEU A 72 8.558 2.042 13.102 1.00 0.00 H ATOM 639 N SER A 73 10.477 2.753 10.525 1.00 65.33 N ATOM 640 CA SER A 73 11.606 2.880 9.612 1.00 66.60 C ATOM 641 C SER A 73 11.734 1.636 8.765 1.00 68.77 C ATOM 642 O SER A 73 11.983 1.699 7.550 1.00 68.13 O ATOM 643 CB SER A 73 12.902 3.098 10.373 1.00 69.08 C ATOM 644 OG SER A 73 12.988 4.419 10.858 1.00 74.05 O ATOM 645 HG SER A 73 12.228 4.596 11.467 1.00 0.00 H ATOM 646 H SER A 73 10.634 2.781 11.553 1.00 0.00 H ATOM 647 N THR A 74 11.524 0.501 9.410 1.00 69.94 N ATOM 648 CA THR A 74 11.670 -0.778 8.743 1.00 69.68 C ATOM 649 C THR A 74 10.636 -0.948 7.640 1.00 67.87 C ATOM 650 O THR A 74 10.956 -1.419 6.534 1.00 65.57 O ATOM 651 CB THR A 74 11.591 -1.924 9.773 1.00 69.50 C ATOM 652 OG1 THR A 74 12.792 -1.919 10.580 1.00 65.79 O ATOM 653 CG2 THR A 74 11.391 -3.294 9.056 1.00 65.45 C ATOM 654 HG1 THR A 74 12.868 -1.052 11.051 1.00 0.00 H ATOM 655 H THR A 74 11.249 0.526 10.413 1.00 0.00 H ATOM 656 N ALA A 75 9.405 -0.533 7.930 1.00 64.13 N ATOM 657 CA ALA A 75 8.372 -0.581 6.900 1.00 66.89 C ATOM 658 C ALA A 75 8.732 0.385 5.753 1.00 64.59 C ATOM 659 O ALA A 75 8.570 0.070 4.547 1.00 60.95 O ATOM 660 CB ALA A 75 6.960 -0.259 7.528 1.00 49.18 C ATOM 661 H ALA A 75 9.181 -0.178 8.882 1.00 0.00 H ATOM 662 N LEU A 76 9.284 1.537 6.130 1.00 64.45 N ATOM 663 CA LEU A 76 9.589 2.600 5.165 1.00 65.02 C ATOM 664 C LEU A 76 10.725 2.200 4.231 1.00 64.21 C ATOM 665 O LEU A 76 10.687 2.490 3.028 1.00 60.45 O ATOM 666 CB LEU A 76 9.889 3.907 5.907 1.00 61.68 C ATOM 667 CG LEU A 76 8.586 4.501 6.444 1.00 60.28 C ATOM 668 CD1 LEU A 76 8.807 5.778 7.269 1.00 53.84 C ATOM 669 CD2 LEU A 76 7.710 4.790 5.220 1.00 59.88 C ATOM 670 H LEU A 76 9.505 1.687 7.135 1.00 0.00 H ATOM 671 N ASN A 77 11.739 1.539 4.784 1.00 66.49 N ATOM 672 CA ASN A 77 12.864 1.084 3.971 1.00 69.98 C ATOM 673 C ASN A 77 12.465 0.074 2.884 1.00 69.69 C ATOM 674 O ASN A 77 12.982 0.120 1.741 1.00 71.02 O ATOM 675 CB ASN A 77 13.951 0.497 4.873 1.00 74.67 C ATOM 676 CG ASN A 77 15.252 0.280 4.136 1.00 79.94 C ATOM 677 OD1 ASN A 77 15.709 -0.860 3.995 1.00 82.84 O ATOM 678 ND2 ASN A 77 15.845 1.366 3.631 1.00 80.07 N ATOM 679 HD22 ASN A 77 15.422 2.305 3.776 1.00 0.00 H ATOM 680 HD21 ASN A 77 16.730 1.272 3.093 1.00 0.00 H ATOM 681 H ASN A 77 11.730 1.344 5.806 1.00 0.00 H ATOM 682 N ILE A 78 11.527 -0.810 3.223 1.00 66.11 N ATOM 683 CA ILE A 78 11.036 -1.796 2.270 1.00 64.40 C ATOM 684 C ILE A 78 10.118 -1.104 1.252 1.00 62.48 C ATOM 685 O ILE A 78 10.254 -1.325 0.063 1.00 66.90 O ATOM 686 CB ILE A 78 10.287 -2.944 2.986 1.00 65.51 C ATOM 687 CG1 ILE A 78 11.244 -3.684 3.927 1.00 65.81 C ATOM 688 CG2 ILE A 78 9.666 -3.922 1.948 1.00 51.37 C ATOM 689 CD1 ILE A 78 12.484 -4.246 3.193 1.00 65.27 C ATOM 690 H ILE A 78 11.138 -0.796 4.187 1.00 0.00 H ATOM 691 N LEU A 79 9.252 -0.204 1.717 1.00 59.69 N ATOM 692 CA LEU A 79 8.403 0.579 0.818 1.00 58.89 C ATOM 693 C LEU A 79 9.251 1.357 -0.166 1.00 63.90 C ATOM 694 O LEU A 79 8.874 1.475 -1.354 1.00 63.98 O ATOM 695 CB LEU A 79 7.479 1.521 1.607 1.00 56.42 C ATOM 696 CG LEU A 79 6.239 0.825 2.192 1.00 61.72 C ATOM 697 CD1 LEU A 79 5.523 1.709 3.205 1.00 64.57 C ATOM 698 CD2 LEU A 79 5.283 0.393 1.071 1.00 62.42 C ATOM 699 H LEU A 79 9.178 -0.054 2.744 1.00 0.00 H ATOM 700 N GLU A 80 10.402 1.861 0.299 1.00 63.43 N ATOM 701 CA GLU A 80 11.327 2.552 -0.611 1.00 62.42 C ATOM 702 C GLU A 80 11.815 1.601 -1.719 1.00 60.87 C ATOM 703 O GLU A 80 11.848 1.968 -2.905 1.00 56.13 O ATOM 704 CB GLU A 80 12.534 3.137 0.133 1.00 61.98 C ATOM 705 CG GLU A 80 13.591 3.725 -0.814 1.00 67.26 C ATOM 706 CD GLU A 80 14.729 4.455 -0.096 1.00 69.97 C ATOM 707 OE1 GLU A 80 14.508 4.887 1.050 1.00 70.28 O ATOM 708 OE2 GLU A 80 15.836 4.613 -0.687 1.00 70.30 O ATOM 709 H GLU A 80 10.642 1.763 1.306 1.00 0.00 H ATOM 710 N LYS A 81 12.175 0.380 -1.341 1.00 60.79 N ATOM 711 CA LYS A 81 12.644 -0.590 -2.331 1.00 64.24 C ATOM 712 C LYS A 81 11.548 -0.934 -3.357 1.00 68.79 C ATOM 713 O LYS A 81 11.845 -1.165 -4.541 1.00 68.59 O ATOM 714 CB LYS A 81 13.179 -1.845 -1.631 1.00 66.75 C ATOM 715 CG LYS A 81 14.443 -1.559 -0.804 1.00 74.95 C ATOM 716 CD LYS A 81 14.809 -2.723 0.153 1.00 95.70 C ATOM 717 CE LYS A 81 16.081 -2.422 0.955 1.00 93.78 C ATOM 718 NZ LYS A 81 16.566 -3.604 1.747 1.00 95.99 N ATOM 719 HZ1 LYS A 81 15.828 -3.896 2.419 1.00 0.00 H ATOM 720 HZ2 LYS A 81 16.777 -4.390 1.100 1.00 0.00 H ATOM 721 HZ3 LYS A 81 17.427 -3.341 2.268 1.00 0.00 H ATOM 722 H LYS A 81 12.123 0.112 -0.337 1.00 0.00 H ATOM 723 N TYR A 82 10.289 -0.994 -2.913 1.00 68.09 N ATOM 724 CA TYR A 82 9.214 -1.266 -3.860 1.00 66.23 C ATOM 725 C TYR A 82 9.109 -0.147 -4.915 1.00 61.49 C ATOM 726 O TYR A 82 8.938 -0.422 -6.109 1.00 57.18 O ATOM 727 CB TYR A 82 7.873 -1.455 -3.138 1.00 66.56 C ATOM 728 CG TYR A 82 7.663 -2.852 -2.571 1.00 72.88 C ATOM 729 CD1 TYR A 82 7.481 -3.951 -3.413 1.00 73.27 C ATOM 730 CD2 TYR A 82 7.618 -3.064 -1.197 1.00 72.42 C ATOM 731 CE1 TYR A 82 7.286 -5.221 -2.901 1.00 75.23 C ATOM 732 CE2 TYR A 82 7.416 -4.331 -0.674 1.00 75.43 C ATOM 733 CZ TYR A 82 7.250 -5.402 -1.527 1.00 77.64 C ATOM 734 OH TYR A 82 7.054 -6.663 -0.998 1.00 79.54 O ATOM 735 HH TYR A 82 6.953 -7.317 -1.735 1.00 0.00 H ATOM 736 H TYR A 82 10.079 -0.849 -1.905 1.00 0.00 H ATOM 737 N GLY A 83 9.257 1.098 -4.464 1.00 59.20 N ATOM 738 CA GLY A 83 9.193 2.249 -5.344 1.00 61.85 C ATOM 739 C GLY A 83 10.346 2.262 -6.327 1.00 64.01 C ATOM 740 O GLY A 83 10.128 2.401 -7.551 1.00 61.84 O ATOM 741 H GLY A 83 9.424 1.249 -3.449 1.00 0.00 H ATOM 742 N ARG A 84 11.568 2.109 -5.807 1.00 64.90 N ATOM 743 CA ARG A 84 12.755 2.124 -6.667 1.00 69.61 C ATOM 744 C ARG A 84 12.720 1.037 -7.738 1.00 71.96 C ATOM 745 O ARG A 84 13.106 1.288 -8.904 1.00 71.45 O ATOM 746 CB ARG A 84 14.026 1.969 -5.842 1.00 68.60 C ATOM 747 CG ARG A 84 14.325 3.150 -4.947 1.00 68.80 C ATOM 748 CD ARG A 84 15.618 2.880 -4.201 1.00 67.29 C ATOM 749 NE ARG A 84 16.038 3.977 -3.333 1.00 61.82 N ATOM 750 CZ ARG A 84 16.887 4.936 -3.689 1.00 61.87 C ATOM 751 NH1 ARG A 84 17.398 4.951 -4.919 1.00 59.51 N ATOM 752 NH2 ARG A 84 17.221 5.881 -2.811 1.00 60.45 N ATOM 753 HE ARG A 84 15.646 4.010 -2.370 1.00 0.00 H ATOM 754 HH12 ARG A 84 18.062 5.701 -5.197 1.00 0.00 H ATOM 755 HH11 ARG A 84 17.133 4.212 -5.601 1.00 0.00 H ATOM 756 HH22 ARG A 84 17.885 6.634 -3.084 1.00 0.00 H ATOM 757 HH21 ARG A 84 16.818 5.866 -1.852 1.00 0.00 H ATOM 758 H ARG A 84 11.678 1.978 -4.781 1.00 0.00 H ATOM 759 N ASN A 85 12.237 -0.151 -7.351 1.00 69.89 N ATOM 760 CA ASN A 85 12.126 -1.278 -8.287 1.00 68.34 C ATOM 761 C ASN A 85 11.217 -0.919 -9.492 1.00 65.69 C ATOM 762 O ASN A 85 11.483 -1.334 -10.615 1.00 65.80 O ATOM 763 CB ASN A 85 11.602 -2.535 -7.566 1.00 66.49 C ATOM 764 CG ASN A 85 12.664 -3.220 -6.683 1.00 65.35 C ATOM 765 OD1 ASN A 85 13.791 -2.734 -6.560 1.00 66.97 O ATOM 766 ND2 ASN A 85 12.286 -4.335 -6.042 1.00 61.94 N ATOM 767 HD22 ASN A 85 11.325 -4.711 -6.175 1.00 0.00 H ATOM 768 HD21 ASN A 85 12.953 -4.824 -5.412 1.00 0.00 H ATOM 769 H ASN A 85 11.933 -0.279 -6.365 1.00 0.00 H ATOM 770 N LEU A 86 10.180 -0.109 -9.249 1.00 62.43 N ATOM 771 CA LEU A 86 9.251 0.303 -10.298 1.00 63.61 C ATOM 772 C LEU A 86 9.913 1.310 -11.222 1.00 64.55 C ATOM 773 O LEU A 86 9.444 1.492 -12.362 1.00 65.46 O ATOM 774 CB LEU A 86 7.952 0.903 -9.700 1.00 59.15 C ATOM 775 CG LEU A 86 6.978 -0.029 -8.966 1.00 59.97 C ATOM 776 CD1 LEU A 86 5.734 0.740 -8.493 1.00 62.64 C ATOM 777 CD2 LEU A 86 6.562 -1.177 -9.893 1.00 57.71 C ATOM 778 H LEU A 86 10.030 0.239 -8.280 1.00 0.00 H ATOM 779 N LEU A 87 11.009 1.932 -10.755 1.00 60.83 N ATOM 780 CA LEU A 87 11.737 2.914 -11.571 1.00 60.56 C ATOM 781 C LEU A 87 12.906 2.282 -12.302 1.00 62.53 C ATOM 782 O LEU A 87 13.522 2.922 -13.149 1.00 63.79 O ATOM 783 CB LEU A 87 12.255 4.063 -10.723 1.00 56.45 C ATOM 784 CG LEU A 87 11.110 4.905 -10.155 1.00 59.78 C ATOM 785 CD1 LEU A 87 11.650 6.030 -9.265 1.00 59.91 C ATOM 786 CD2 LEU A 87 10.237 5.416 -11.296 1.00 57.38 C ATOM 787 H LEU A 87 11.349 1.714 -9.797 1.00 0.00 H ATOM 788 N SER A 88 13.211 1.033 -11.979 1.00 64.19 N ATOM 789 CA SER A 88 14.356 0.381 -12.589 1.00 72.90 C ATOM 790 C SER A 88 14.196 0.348 -14.093 1.00 72.34 C ATOM 791 O SER A 88 13.101 0.060 -14.609 1.00 68.95 O ATOM 792 CB SER A 88 14.525 -1.035 -12.048 1.00 78.88 C ATOM 793 OG SER A 88 15.509 -1.068 -11.033 1.00 86.69 O ATOM 794 HG SER A 88 15.603 -1.994 -10.696 1.00 0.00 H ATOM 795 H SER A 88 12.629 0.519 -11.287 1.00 0.00 H ATOM 796 N PRO A 89 15.283 0.663 -14.810 1.00 75.95 N ATOM 797 CA PRO A 89 15.236 0.616 -16.279 1.00 75.93 C ATOM 798 C PRO A 89 14.758 -0.777 -16.720 1.00 76.12 C ATOM 799 O PRO A 89 13.986 -0.892 -17.659 1.00 77.41 O ATOM 800 CB PRO A 89 16.692 0.891 -16.694 1.00 76.36 C ATOM 801 CG PRO A 89 17.519 0.678 -15.484 1.00 79.08 C ATOM 802 CD PRO A 89 16.622 1.022 -14.310 1.00 77.86 C ATOM 803 N GLN A 90 15.157 -1.810 -15.987 1.00 77.28 N ATOM 804 CA GLN A 90 14.561 -3.134 -16.123 1.00 84.04 C ATOM 805 C GLN A 90 13.695 -3.425 -14.877 1.00 82.68 C ATOM 806 O GLN A 90 14.230 -3.570 -13.763 1.00 80.04 O ATOM 807 CB GLN A 90 15.651 -4.187 -16.292 1.00 94.79 C ATOM 808 CG GLN A 90 15.183 -5.451 -16.977 1.00105.73 C ATOM 809 CD GLN A 90 16.309 -6.450 -17.175 1.00114.94 C ATOM 810 OE1 GLN A 90 17.483 -6.074 -17.287 1.00118.49 O ATOM 811 NE2 GLN A 90 15.959 -7.732 -17.212 1.00117.63 N ATOM 812 HE22 GLN A 90 14.959 -8.001 -17.114 1.00 0.00 H ATOM 813 HE21 GLN A 90 16.685 -8.466 -17.339 1.00 0.00 H ATOM 814 H GLN A 90 15.919 -1.670 -15.293 1.00 0.00 H ATOM 815 N ARG A 91 12.364 -3.409 -15.034 1.00 81.43 N ATOM 816 CA ARG A 91 11.457 -3.733 -13.908 1.00 78.25 C ATOM 817 C ARG A 91 11.556 -5.218 -13.553 1.00 77.47 C ATOM 818 O ARG A 91 11.792 -6.045 -14.437 1.00 78.61 O ATOM 819 CB ARG A 91 10.002 -3.359 -14.248 1.00 76.02 C ATOM 820 CG ARG A 91 9.732 -1.850 -14.262 1.00 73.13 C ATOM 821 CD ARG A 91 8.265 -1.535 -14.498 1.00 72.32 C ATOM 822 NE ARG A 91 7.838 -1.963 -15.821 1.00 73.15 N ATOM 823 CZ ARG A 91 7.807 -1.163 -16.878 1.00 76.46 C ATOM 824 NH1 ARG A 91 8.173 0.110 -16.751 1.00 74.80 N ATOM 825 NH2 ARG A 91 7.412 -1.632 -18.060 1.00 80.23 N ATOM 826 HE ARG A 91 7.540 -2.952 -15.945 1.00 0.00 H ATOM 827 HH12 ARG A 91 8.151 0.742 -17.576 1.00 0.00 H ATOM 828 HH11 ARG A 91 8.481 0.473 -15.826 1.00 0.00 H ATOM 829 HH22 ARG A 91 7.388 -1.003 -18.888 1.00 0.00 H ATOM 830 HH21 ARG A 91 7.127 -2.628 -18.156 1.00 0.00 H ATOM 831 H ARG A 91 11.961 -3.165 -15.961 1.00 0.00 H ATOM 832 N PRO A 92 11.364 -5.560 -12.259 1.00 77.46 N ATOM 833 CA PRO A 92 11.347 -6.969 -11.839 1.00 78.08 C ATOM 834 C PRO A 92 10.207 -7.738 -12.523 1.00 77.14 C ATOM 835 O PRO A 92 9.148 -7.143 -12.789 1.00 74.17 O ATOM 836 CB PRO A 92 11.050 -6.882 -10.319 1.00 72.01 C ATOM 837 CG PRO A 92 11.441 -5.533 -9.925 1.00 73.80 C ATOM 838 CD PRO A 92 11.142 -4.654 -11.114 1.00 73.16 C ATOM 839 N ARG A 93 10.426 -9.007 -12.858 1.00 81.91 N ATOM 840 CA ARG A 93 9.309 -9.834 -13.250 1.00 92.34 C ATOM 841 C ARG A 93 8.367 -9.818 -12.046 1.00 97.26 C ATOM 842 O ARG A 93 8.826 -9.747 -10.891 1.00 99.42 O ATOM 843 CB ARG A 93 9.754 -11.272 -13.509 1.00102.62 C ATOM 844 CG ARG A 93 10.814 -11.473 -14.579 1.00111.89 C ATOM 845 CD ARG A 93 10.907 -12.960 -14.919 1.00122.77 C ATOM 846 NE ARG A 93 11.945 -13.287 -15.893 1.00129.95 N ATOM 847 CZ ARG A 93 11.731 -13.390 -17.203 1.00135.09 C ATOM 848 NH1 ARG A 93 10.515 -13.195 -17.695 1.00136.33 N ATOM 849 NH2 ARG A 93 12.728 -13.684 -18.025 1.00137.39 N ATOM 850 HE ARG A 93 12.910 -13.449 -15.542 1.00 0.00 H ATOM 851 HH12 ARG A 93 10.349 -13.276 -18.718 1.00 0.00 H ATOM 852 HH11 ARG A 93 9.727 -12.961 -17.057 1.00 0.00 H ATOM 853 HH22 ARG A 93 12.553 -13.763 -19.047 1.00 0.00 H ATOM 854 HH21 ARG A 93 13.685 -13.836 -17.648 1.00 0.00 H ATOM 855 H ARG A 93 11.389 -9.398 -12.838 1.00 0.00 H ATOM 856 N TYR A 94 7.063 -9.854 -12.307 1.00 98.52 N ATOM 857 CA TYR A 94 6.043 -9.863 -11.248 1.00 95.45 C ATOM 858 C TYR A 94 6.011 -8.582 -10.446 1.00 85.12 C ATOM 859 O TYR A 94 5.667 -8.612 -9.269 1.00 86.72 O ATOM 860 CB TYR A 94 6.208 -11.059 -10.305 1.00 98.31 C ATOM 861 CG TYR A 94 6.518 -12.322 -11.040 1.00105.86 C ATOM 862 CD1 TYR A 94 5.532 -12.988 -11.744 1.00112.69 C ATOM 863 CD2 TYR A 94 7.801 -12.847 -11.047 1.00109.67 C ATOM 864 CE1 TYR A 94 5.810 -14.158 -12.445 1.00119.13 C ATOM 865 CE2 TYR A 94 8.095 -14.014 -11.743 1.00115.88 C ATOM 866 CZ TYR A 94 7.093 -14.671 -12.441 1.00120.84 C ATOM 867 OH TYR A 94 7.363 -15.837 -13.140 1.00126.18 O ATOM 868 HH TYR A 94 8.048 -15.655 -13.832 1.00 0.00 H ATOM 869 H TYR A 94 6.753 -9.877 -13.299 1.00 0.00 H ATOM 870 N TRP A 95 6.326 -7.458 -11.080 1.00 76.49 N ATOM 871 CA TRP A 95 6.244 -6.166 -10.393 1.00 71.34 C ATOM 872 C TRP A 95 4.779 -5.795 -10.258 1.00 68.64 C ATOM 873 O TRP A 95 4.397 -4.961 -9.425 1.00 65.81 O ATOM 874 CB TRP A 95 6.986 -5.069 -11.169 1.00 72.21 C ATOM 875 CG TRP A 95 6.455 -4.862 -12.562 1.00 72.51 C ATOM 876 CD1 TRP A 95 6.868 -5.510 -13.695 1.00 73.53 C ATOM 877 CD2 TRP A 95 5.419 -3.950 -12.975 1.00 70.37 C ATOM 878 NE1 TRP A 95 6.153 -5.064 -14.781 1.00 71.30 N ATOM 879 CE2 TRP A 95 5.257 -4.113 -14.371 1.00 71.66 C ATOM 880 CE3 TRP A 95 4.618 -3.017 -12.307 1.00 69.92 C ATOM 881 CZ2 TRP A 95 4.311 -3.366 -15.116 1.00 70.96 C ATOM 882 CZ3 TRP A 95 3.666 -2.276 -13.056 1.00 70.81 C ATOM 883 CH2 TRP A 95 3.529 -2.461 -14.441 1.00 70.19 C ATOM 884 HE1 TRP A 95 6.273 -5.396 -15.759 1.00 0.00 H ATOM 885 H TRP A 95 6.634 -7.495 -12.073 1.00 0.00 H ATOM 886 N ARG A 96 3.955 -6.425 -11.092 1.00 70.80 N ATOM 887 CA ARG A 96 2.548 -6.062 -11.183 1.00 72.06 C ATOM 888 C ARG A 96 1.734 -6.382 -9.919 1.00 71.83 C ATOM 889 O ARG A 96 0.657 -5.802 -9.743 1.00 71.14 O ATOM 890 CB ARG A 96 1.902 -6.690 -12.438 1.00 73.61 C ATOM 891 CG ARG A 96 2.491 -6.121 -13.730 1.00 74.34 C ATOM 892 CD ARG A 96 1.742 -6.554 -14.991 1.00 74.95 C ATOM 893 NE ARG A 96 0.325 -6.190 -14.952 1.00 72.26 N ATOM 894 CZ ARG A 96 -0.143 -4.970 -15.182 1.00 71.13 C ATOM 895 NH1 ARG A 96 0.695 -3.966 -15.410 1.00 71.30 N ATOM 896 NH2 ARG A 96 -1.448 -4.743 -15.124 1.00 73.83 N ATOM 897 HE ARG A 96 -0.362 -6.938 -14.729 1.00 0.00 H ATOM 898 HH12 ARG A 96 0.325 -3.011 -15.590 1.00 0.00 H ATOM 899 HH11 ARG A 96 1.721 -4.135 -15.409 1.00 0.00 H ATOM 900 HH22 ARG A 96 -1.818 -3.788 -15.304 1.00 0.00 H ATOM 901 HH21 ARG A 96 -2.101 -5.520 -14.899 1.00 0.00 H ATOM 902 H ARG A 96 4.323 -7.192 -11.690 1.00 0.00 H ATOM 903 N GLY A 97 2.267 -7.228 -9.023 1.00 72.42 N ATOM 904 CA GLY A 97 1.548 -7.617 -7.809 1.00 72.98 C ATOM 905 C GLY A 97 2.395 -7.880 -6.560 1.00 73.63 C ATOM 906 O GLY A 97 3.526 -8.368 -6.622 1.00 77.83 O ATOM 907 H GLY A 97 3.216 -7.617 -9.196 1.00 0.00 H ATOM 908 N VAL A 98 1.831 -7.578 -5.401 1.00 72.62 N ATOM 909 CA VAL A 98 2.490 -7.887 -4.138 1.00 75.63 C ATOM 910 C VAL A 98 1.538 -8.716 -3.292 1.00 76.94 C ATOM 911 O VAL A 98 0.367 -8.343 -3.108 1.00 73.06 O ATOM 912 CB VAL A 98 2.916 -6.602 -3.356 1.00 75.83 C ATOM 913 CG1 VAL A 98 3.588 -6.973 -2.036 1.00 73.61 C ATOM 914 CG2 VAL A 98 3.839 -5.735 -4.208 1.00 71.50 C ATOM 915 H VAL A 98 0.901 -7.112 -5.391 1.00 0.00 H ATOM 916 N LYS A 99 2.042 -9.832 -2.772 1.00 81.88 N ATOM 917 CA LYS A 99 1.244 -10.711 -1.921 1.00 88.07 C ATOM 918 C LYS A 99 1.336 -10.280 -0.450 1.00 87.56 C ATOM 919 O LYS A 99 2.424 -9.960 0.049 1.00 86.27 O ATOM 920 CB LYS A 99 1.725 -12.160 -2.080 1.00 91.59 C ATOM 921 CG LYS A 99 1.686 -12.681 -3.508 1.00 94.47 C ATOM 922 CD LYS A 99 0.284 -12.636 -4.090 1.00 98.50 C ATOM 923 CE LYS A 99 0.285 -13.087 -5.546 1.00102.99 C ATOM 924 NZ LYS A 99 -1.089 -13.169 -6.112 1.00106.09 N ATOM 925 HZ1 LYS A 99 -1.649 -13.852 -5.563 1.00 0.00 H ATOM 926 HZ2 LYS A 99 -1.539 -12.232 -6.064 1.00 0.00 H ATOM 927 HZ3 LYS A 99 -1.036 -13.480 -7.103 1.00 0.00 H ATOM 928 H LYS A 99 3.030 -10.085 -2.977 1.00 0.00 H ATOM 929 N PHE A 100 0.189 -10.215 0.224 1.00 88.78 N ATOM 930 CA PHE A 100 0.164 -9.881 1.650 1.00 86.44 C ATOM 931 C PHE A 100 0.981 -10.905 2.461 1.00 87.68 C ATOM 932 O PHE A 100 1.593 -10.568 3.482 1.00 82.87 O ATOM 933 CB PHE A 100 -1.280 -9.828 2.154 1.00 85.86 C ATOM 934 CG PHE A 100 -2.082 -8.685 1.588 1.00 82.40 C ATOM 935 CD1 PHE A 100 -1.472 -7.477 1.301 1.00 78.61 C ATOM 936 CD2 PHE A 100 -3.449 -8.820 1.348 1.00 85.70 C ATOM 937 CE1 PHE A 100 -2.202 -6.406 0.776 1.00 78.02 C ATOM 938 CE2 PHE A 100 -4.191 -7.756 0.823 1.00 85.74 C ATOM 939 CZ PHE A 100 -3.558 -6.544 0.537 1.00 81.68 C ATOM 940 H PHE A 100 -0.705 -10.405 -0.271 1.00 0.00 H ATOM 941 N ASN A 101 0.987 -12.152 1.987 1.00 94.98 N ATOM 942 CA ASN A 101 1.729 -13.232 2.636 1.00103.26 C ATOM 943 C ASN A 101 3.173 -13.411 2.154 1.00104.20 C ATOM 944 O ASN A 101 3.746 -14.490 2.304 1.00108.50 O ATOM 945 CB ASN A 101 0.971 -14.552 2.500 1.00112.37 C ATOM 946 CG ASN A 101 -0.260 -14.605 3.383 1.00119.83 C ATOM 947 OD1 ASN A 101 -0.162 -14.791 4.601 1.00122.96 O ATOM 948 ND2 ASN A 101 -1.433 -14.446 2.772 1.00122.29 N ATOM 949 HD22 ASN A 101 -1.467 -14.292 1.744 1.00 0.00 H ATOM 950 HD21 ASN A 101 -2.315 -14.476 3.323 1.00 0.00 H ATOM 951 H ASN A 101 0.445 -12.364 1.125 1.00 0.00 H ATOM 952 N ASN A 102 3.752 -12.364 1.569 1.00101.50 N ATOM 953 CA ASN A 102 5.183 -12.350 1.286 1.00100.95 C ATOM 954 C ASN A 102 5.887 -12.183 2.623 1.00104.66 C ATOM 955 O ASN A 102 5.520 -11.309 3.415 1.00106.43 O ATOM 956 CB ASN A 102 5.562 -11.219 0.322 1.00 96.36 C ATOM 957 CG ASN A 102 7.067 -11.106 0.113 1.00 94.53 C ATOM 958 OD1 ASN A 102 7.747 -10.329 0.789 1.00 91.82 O ATOM 959 ND2 ASN A 102 7.595 -11.890 -0.826 1.00 96.67 N ATOM 960 HD22 ASN A 102 6.984 -12.530 -1.373 1.00 0.00 H ATOM 961 HD21 ASN A 102 8.618 -11.862 -1.012 1.00 0.00 H ATOM 962 H ASN A 102 3.173 -11.540 1.309 1.00 0.00 H ATOM 963 N PRO A 103 6.881 -13.045 2.893 1.00106.54 N ATOM 964 CA PRO A 103 7.592 -13.097 4.181 1.00104.24 C ATOM 965 C PRO A 103 8.152 -11.733 4.550 1.00 96.37 C ATOM 966 O PRO A 103 7.973 -11.282 5.679 1.00 92.00 O ATOM 967 CB PRO A 103 8.724 -14.095 3.911 1.00107.96 C ATOM 968 CG PRO A 103 8.173 -14.996 2.826 1.00111.23 C ATOM 969 CD PRO A 103 7.380 -14.060 1.943 1.00109.27 C ATOM 970 N VAL A 104 8.813 -11.089 3.590 1.00 95.12 N ATOM 971 CA VAL A 104 9.402 -9.777 3.808 1.00 87.87 C ATOM 972 C VAL A 104 8.324 -8.700 3.937 1.00 82.87 C ATOM 973 O VAL A 104 8.459 -7.783 4.774 1.00 78.65 O ATOM 974 CB VAL A 104 10.367 -9.378 2.660 1.00 88.05 C ATOM 975 CG1 VAL A 104 11.170 -8.122 3.022 1.00 86.10 C ATOM 976 CG2 VAL A 104 11.290 -10.533 2.289 1.00 91.81 C ATOM 977 H VAL A 104 8.911 -11.537 2.657 1.00 0.00 H ATOM 978 N PHE A 105 7.246 -8.817 3.149 1.00 82.35 N ATOM 979 CA PHE A 105 6.166 -7.818 3.221 1.00 82.20 C ATOM 980 C PHE A 105 5.421 -7.903 4.562 1.00 82.59 C ATOM 981 O PHE A 105 5.123 -6.871 5.182 1.00 74.89 O ATOM 982 CB PHE A 105 5.159 -7.934 2.048 1.00 79.82 C ATOM 983 CG PHE A 105 3.973 -6.983 2.175 1.00 79.69 C ATOM 984 CD1 PHE A 105 4.046 -5.676 1.703 1.00 78.15 C ATOM 985 CD2 PHE A 105 2.799 -7.385 2.817 1.00 79.32 C ATOM 986 CE1 PHE A 105 2.956 -4.785 1.865 1.00 75.87 C ATOM 987 CE2 PHE A 105 1.714 -6.505 2.977 1.00 75.97 C ATOM 988 CZ PHE A 105 1.796 -5.204 2.505 1.00 72.96 C ATOM 989 H PHE A 105 7.172 -9.615 2.486 1.00 0.00 H ATOM 990 N ARG A 106 5.134 -9.130 4.997 1.00 88.67 N ATOM 991 CA ARG A 106 4.380 -9.359 6.213 1.00 95.06 C ATOM 992 C ARG A 106 5.141 -8.876 7.440 1.00 93.85 C ATOM 993 O ARG A 106 4.580 -8.198 8.307 1.00 89.46 O ATOM 994 CB ARG A 106 4.056 -10.853 6.357 1.00103.72 C ATOM 995 CG ARG A 106 2.565 -11.175 6.460 1.00109.62 C ATOM 996 CD ARG A 106 2.305 -12.429 7.311 1.00118.17 C ATOM 997 NE ARG A 106 2.912 -13.651 6.775 1.00124.68 N ATOM 998 CZ ARG A 106 4.084 -14.151 7.166 1.00126.61 C ATOM 999 NH1 ARG A 106 4.801 -13.534 8.099 1.00124.97 N ATOM 1000 NH2 ARG A 106 4.543 -15.265 6.615 1.00128.90 N ATOM 1001 HE ARG A 106 2.391 -14.165 6.036 1.00 0.00 H ATOM 1002 HH12 ARG A 106 5.715 -13.930 8.399 1.00 0.00 H ATOM 1003 HH11 ARG A 106 4.449 -12.655 8.529 1.00 0.00 H ATOM 1004 HH22 ARG A 106 5.457 -15.657 6.919 1.00 0.00 H ATOM 1005 HH21 ARG A 106 3.989 -15.748 5.879 1.00 0.00 H ATOM 1006 H ARG A 106 5.462 -9.949 4.446 1.00 0.00 H ATOM 1007 N SER A 107 6.434 -9.178 7.482 1.00 93.99 N ATOM 1008 CA SER A 107 7.239 -8.851 8.653 1.00 92.45 C ATOM 1009 C SER A 107 7.660 -7.373 8.723 1.00 89.79 C ATOM 1010 O SER A 107 8.022 -6.886 9.799 1.00 89.76 O ATOM 1011 CB SER A 107 8.474 -9.749 8.665 1.00 90.56 C ATOM 1012 OG SER A 107 9.302 -9.474 7.552 1.00 85.96 O ATOM 1013 HG SER A 107 8.795 -9.636 6.717 1.00 0.00 H ATOM 1014 H SER A 107 6.877 -9.653 6.670 1.00 0.00 H ATOM 1015 N THR A 108 7.581 -6.655 7.600 1.00 84.20 N ATOM 1016 CA THR A 108 8.041 -5.266 7.566 1.00 81.00 C ATOM 1017 C THR A 108 6.880 -4.330 7.294 1.00 81.44 C ATOM 1018 O THR A 108 6.468 -3.570 8.168 1.00 81.00 O ATOM 1019 CB THR A 108 9.170 -5.026 6.494 1.00 75.57 C ATOM 1020 OG1 THR A 108 8.707 -5.360 5.166 1.00 69.66 O ATOM 1021 CG2 THR A 108 10.440 -5.837 6.840 1.00 76.84 C ATOM 1022 HG1 THR A 108 8.443 -6.314 5.140 1.00 0.00 H ATOM 1023 H THR A 108 7.188 -7.088 6.740 1.00 0.00 H ATOM 1024 N VAL A 109 6.355 -4.370 6.076 1.00 84.57 N ATOM 1025 CA VAL A 109 5.341 -3.399 5.691 1.00 83.93 C ATOM 1026 C VAL A 109 4.010 -3.638 6.424 1.00 83.81 C ATOM 1027 O VAL A 109 3.417 -2.701 6.953 1.00 84.95 O ATOM 1028 CB VAL A 109 5.172 -3.320 4.156 1.00 83.42 C ATOM 1029 CG1 VAL A 109 4.198 -2.205 3.769 1.00 80.87 C ATOM 1030 CG2 VAL A 109 6.521 -3.088 3.510 1.00 83.35 C ATOM 1031 H VAL A 109 6.667 -5.094 5.398 1.00 0.00 H ATOM 1032 N ASP A 110 3.571 -4.886 6.506 1.00 85.12 N ATOM 1033 CA ASP A 110 2.306 -5.163 7.164 1.00 87.36 C ATOM 1034 C ASP A 110 2.373 -5.055 8.692 1.00 85.50 C ATOM 1035 O ASP A 110 1.366 -5.221 9.370 1.00 85.33 O ATOM 1036 CB ASP A 110 1.791 -6.550 6.777 1.00 90.75 C ATOM 1037 CG ASP A 110 0.450 -6.493 6.093 1.00 95.00 C ATOM 1038 OD1 ASP A 110 -0.128 -5.388 6.026 1.00 94.83 O ATOM 1039 OD2 ASP A 110 -0.049 -7.557 5.668 1.00 99.48 O ATOM 1040 H ASP A 110 4.130 -5.664 6.101 1.00 0.00 H ATOM 1041 N ALA A 111 3.536 -4.696 9.221 1.00 83.38 N ATOM 1042 CA ALA A 111 3.678 -4.511 10.662 1.00 82.80 C ATOM 1043 C ALA A 111 3.154 -3.139 11.108 1.00 80.39 C ATOM 1044 O ALA A 111 3.000 -2.897 12.299 1.00 83.59 O ATOM 1045 CB ALA A 111 5.135 -4.692 11.080 1.00 81.47 C ATOM 1046 H ALA A 111 4.357 -4.544 8.601 1.00 0.00 H ATOM 1047 N VAL A 112 2.913 -2.236 10.159 1.00 73.58 N ATOM 1048 CA VAL A 112 2.415 -0.900 10.491 1.00 72.77 C ATOM 1049 C VAL A 112 1.072 -0.570 9.834 1.00 72.29 C ATOM 1050 O VAL A 112 0.750 -1.051 8.738 1.00 72.15 O ATOM 1051 CB VAL A 112 3.428 0.214 10.093 1.00 73.43 C ATOM 1052 CG1 VAL A 112 4.814 -0.111 10.632 1.00 71.13 C ATOM 1053 CG2 VAL A 112 3.494 0.334 8.581 1.00 75.12 C ATOM 1054 H VAL A 112 3.082 -2.485 9.163 1.00 0.00 H ATOM 1055 N GLN A 113 0.325 0.302 10.490 1.00 70.12 N ATOM 1056 CA GLN A 113 -0.970 0.741 10.011 1.00 74.02 C ATOM 1057 C GLN A 113 -0.791 1.705 8.835 1.00 72.68 C ATOM 1058 O GLN A 113 -0.149 2.761 8.971 1.00 67.96 O ATOM 1059 CB GLN A 113 -1.733 1.438 11.138 1.00 81.60 C ATOM 1060 CG GLN A 113 -3.233 1.341 10.997 1.00 93.21 C ATOM 1061 CD GLN A 113 -3.778 -0.007 11.446 1.00101.89 C ATOM 1062 OE1 GLN A 113 -3.024 -0.907 11.825 1.00103.44 O ATOM 1063 NE2 GLN A 113 -5.092 -0.170 11.352 1.00105.70 N ATOM 1064 HE22 GLN A 113 -5.692 0.616 11.028 1.00 0.00 H ATOM 1065 HE21 GLN A 113 -5.522 -1.083 11.603 1.00 0.00 H ATOM 1066 H GLN A 113 0.682 0.689 11.387 1.00 0.00 H ATOM 1067 N GLY A 114 -1.336 1.330 7.674 1.00 73.32 N ATOM 1068 CA GLY A 114 -1.275 2.169 6.487 1.00 71.32 C ATOM 1069 C GLY A 114 -0.117 1.784 5.578 1.00 70.06 C ATOM 1070 O GLY A 114 0.145 2.469 4.577 1.00 67.74 O ATOM 1071 H GLY A 114 -1.818 0.410 7.617 1.00 0.00 H ATOM 1072 N GLY A 115 0.567 0.683 5.912 1.00 69.03 N ATOM 1073 CA GLY A 115 1.703 0.226 5.128 1.00 68.05 C ATOM 1074 C GLY A 115 1.212 -0.083 3.734 1.00 69.26 C ATOM 1075 O GLY A 115 1.813 0.349 2.744 1.00 64.95 O ATOM 1076 H GLY A 115 0.279 0.142 6.752 1.00 0.00 H ATOM 1077 N ARG A 116 0.072 -0.771 3.676 1.00 68.96 N ATOM 1078 CA ARG A 116 -0.544 -1.169 2.425 1.00 68.58 C ATOM 1079 C ARG A 116 -0.990 -0.008 1.556 1.00 69.36 C ATOM 1080 O ARG A 116 -0.903 -0.070 0.333 1.00 67.44 O ATOM 1081 CB ARG A 116 -1.777 -2.020 2.715 1.00 68.20 C ATOM 1082 CG ARG A 116 -1.474 -3.370 3.297 1.00 71.55 C ATOM 1083 CD ARG A 116 -2.765 -4.125 3.640 1.00 72.61 C ATOM 1084 NE ARG A 116 -2.458 -5.432 4.201 1.00 75.17 N ATOM 1085 CZ ARG A 116 -3.345 -6.402 4.369 1.00 84.23 C ATOM 1086 NH1 ARG A 116 -4.608 -6.215 4.005 1.00 86.73 N ATOM 1087 NH2 ARG A 116 -2.960 -7.561 4.893 1.00 88.19 N ATOM 1088 HE ARG A 116 -1.476 -5.617 4.490 1.00 0.00 H ATOM 1089 HH12 ARG A 116 -5.305 -6.976 4.136 1.00 0.00 H ATOM 1090 HH11 ARG A 116 -4.900 -5.308 3.589 1.00 0.00 H ATOM 1091 HH22 ARG A 116 -3.651 -8.326 5.027 1.00 0.00 H ATOM 1092 HH21 ARG A 116 -1.967 -7.703 5.169 1.00 0.00 H ATOM 1093 H ARG A 116 -0.396 -1.034 4.567 1.00 0.00 H ATOM 1094 N ASP A 117 -1.465 1.050 2.195 1.00 71.49 N ATOM 1095 CA ASP A 117 -1.985 2.186 1.470 1.00 73.13 C ATOM 1096 C ASP A 117 -0.862 2.820 0.685 1.00 69.52 C ATOM 1097 O ASP A 117 -1.089 3.375 -0.409 1.00 69.61 O ATOM 1098 CB ASP A 117 -2.618 3.199 2.431 1.00 78.07 C ATOM 1099 CG ASP A 117 -3.917 2.697 3.039 1.00 88.41 C ATOM 1100 OD1 ASP A 117 -4.718 2.058 2.319 1.00 91.09 O ATOM 1101 OD2 ASP A 117 -4.118 2.922 4.256 1.00 93.80 O ATOM 1102 H ASP A 117 -1.464 1.063 3.235 1.00 0.00 H ATOM 1103 N VAL A 118 0.361 2.679 1.194 1.00 64.48 N ATOM 1104 CA VAL A 118 1.484 3.227 0.457 1.00 66.40 C ATOM 1105 C VAL A 118 1.711 2.490 -0.872 1.00 65.44 C ATOM 1106 O VAL A 118 2.035 3.120 -1.865 1.00 66.55 O ATOM 1107 CB VAL A 118 2.754 3.254 1.308 1.00 65.38 C ATOM 1108 CG1 VAL A 118 3.855 3.984 0.556 1.00 61.62 C ATOM 1109 CG2 VAL A 118 2.444 3.952 2.660 1.00 61.76 C ATOM 1110 H VAL A 118 0.507 2.187 2.099 1.00 0.00 H ATOM 1111 N LEU A 119 1.499 1.178 -0.911 1.00 63.49 N ATOM 1112 CA LEU A 119 1.597 0.453 -2.185 1.00 65.69 C ATOM 1113 C LEU A 119 0.536 0.943 -3.161 1.00 69.41 C ATOM 1114 O LEU A 119 0.752 0.888 -4.369 1.00 74.78 O ATOM 1115 CB LEU A 119 1.455 -1.061 -1.990 1.00 62.73 C ATOM 1116 CG LEU A 119 2.575 -1.826 -1.277 1.00 64.34 C ATOM 1117 CD1 LEU A 119 2.263 -3.312 -1.295 1.00 64.93 C ATOM 1118 CD2 LEU A 119 3.942 -1.582 -1.938 1.00 64.96 C ATOM 1119 H LEU A 119 1.263 0.664 -0.038 1.00 0.00 H ATOM 1120 N ARG A 120 -0.606 1.426 -2.656 1.00 66.89 N ATOM 1121 CA ARG A 120 -1.656 1.927 -3.560 1.00 68.23 C ATOM 1122 C ARG A 120 -1.204 3.210 -4.254 1.00 68.43 C ATOM 1123 O ARG A 120 -1.552 3.461 -5.407 1.00 68.53 O ATOM 1124 CB ARG A 120 -2.967 2.171 -2.795 1.00 65.67 C ATOM 1125 CG ARG A 120 -3.628 0.892 -2.295 1.00 69.24 C ATOM 1126 CD ARG A 120 -4.982 1.140 -1.638 1.00 75.56 C ATOM 1127 NE ARG A 120 -5.660 -0.121 -1.316 1.00 84.41 N ATOM 1128 CZ ARG A 120 -5.663 -0.709 -0.115 1.00 88.91 C ATOM 1129 NH1 ARG A 120 -5.035 -0.154 0.920 1.00 87.11 N ATOM 1130 NH2 ARG A 120 -6.309 -1.857 0.051 1.00 91.71 N ATOM 1131 HE ARG A 120 -6.179 -0.595 -2.082 1.00 0.00 H ATOM 1132 HH12 ARG A 120 -5.046 -0.624 1.848 1.00 0.00 H ATOM 1133 HH11 ARG A 120 -4.533 0.749 0.800 1.00 0.00 H ATOM 1134 HH22 ARG A 120 -6.316 -2.320 0.982 1.00 0.00 H ATOM 1135 HH21 ARG A 120 -6.808 -2.293 -0.750 1.00 0.00 H ATOM 1136 H ARG A 120 -0.752 1.448 -1.626 1.00 0.00 H ATOM 1137 N LEU A 121 -0.367 3.976 -3.558 1.00 65.91 N ATOM 1138 CA LEU A 121 0.156 5.230 -4.079 1.00 62.67 C ATOM 1139 C LEU A 121 1.057 4.930 -5.259 1.00 61.57 C ATOM 1140 O LEU A 121 1.195 5.742 -6.176 1.00 64.66 O ATOM 1141 CB LEU A 121 0.947 5.980 -2.995 1.00 59.65 C ATOM 1142 CG LEU A 121 0.146 6.409 -1.753 1.00 59.05 C ATOM 1143 CD1 LEU A 121 1.054 7.163 -0.764 1.00 55.34 C ATOM 1144 CD2 LEU A 121 -1.060 7.251 -2.165 1.00 61.71 C ATOM 1145 H LEU A 121 -0.077 3.667 -2.608 1.00 0.00 H ATOM 1146 N TYR A 122 1.696 3.769 -5.223 1.00 60.66 N ATOM 1147 CA TYR A 122 2.587 3.335 -6.302 1.00 58.94 C ATOM 1148 C TYR A 122 1.846 2.894 -7.537 1.00 62.89 C ATOM 1149 O TYR A 122 2.423 2.824 -8.632 1.00 69.98 O ATOM 1150 CB TYR A 122 3.462 2.184 -5.813 1.00 58.47 C ATOM 1151 CG TYR A 122 4.613 2.605 -4.923 1.00 59.52 C ATOM 1152 CD1 TYR A 122 5.311 3.785 -5.148 1.00 56.86 C ATOM 1153 CD2 TYR A 122 4.991 1.819 -3.847 1.00 63.50 C ATOM 1154 CE1 TYR A 122 6.381 4.156 -4.324 1.00 57.62 C ATOM 1155 CE2 TYR A 122 6.041 2.177 -3.022 1.00 61.84 C ATOM 1156 CZ TYR A 122 6.726 3.342 -3.256 1.00 58.08 C ATOM 1157 OH TYR A 122 7.769 3.648 -2.408 1.00 56.28 O ATOM 1158 HH TYR A 122 8.449 2.930 -2.451 1.00 0.00 H ATOM 1159 H TYR A 122 1.560 3.146 -4.402 1.00 0.00 H ATOM 1160 N GLY A 123 0.596 2.493 -7.347 1.00 61.71 N ATOM 1161 CA GLY A 123 -0.226 2.056 -8.460 1.00 63.00 C ATOM 1162 C GLY A 123 -0.859 0.721 -8.142 1.00 65.71 C ATOM 1163 O GLY A 123 -1.683 0.216 -8.912 1.00 69.37 O ATOM 1164 H GLY A 123 0.199 2.492 -6.386 1.00 0.00 H ATOM 1165 N TYR A 124 -0.478 0.129 -7.008 1.00 63.64 N ATOM 1166 CA TYR A 124 -1.086 -1.148 -6.629 1.00 67.67 C ATOM 1167 C TYR A 124 -2.492 -0.959 -6.080 1.00 70.44 C ATOM 1168 O TYR A 124 -2.737 -1.157 -4.879 1.00 77.03 O ATOM 1169 CB TYR A 124 -0.217 -1.876 -5.607 1.00 65.73 C ATOM 1170 CG TYR A 124 1.141 -2.274 -6.133 1.00 63.97 C ATOM 1171 CD1 TYR A 124 1.307 -3.469 -6.839 1.00 63.17 C ATOM 1172 CD2 TYR A 124 2.268 -1.481 -5.903 1.00 59.75 C ATOM 1173 CE1 TYR A 124 2.559 -3.867 -7.312 1.00 61.72 C ATOM 1174 CE2 TYR A 124 3.530 -1.868 -6.377 1.00 62.22 C ATOM 1175 CZ TYR A 124 3.670 -3.063 -7.080 1.00 64.53 C ATOM 1176 OH TYR A 124 4.925 -3.453 -7.546 1.00 68.20 O ATOM 1177 HH TYR A 124 4.845 -4.319 -8.020 1.00 0.00 H ATOM 1178 H TYR A 124 0.242 0.570 -6.401 1.00 0.00 H ATOM 1179 N THR A 125 -3.408 -0.579 -6.967 1.00 70.24 N ATOM 1180 CA THR A 125 -4.769 -0.179 -6.598 1.00 76.19 C ATOM 1181 C THR A 125 -5.765 -1.343 -6.536 1.00 85.14 C ATOM 1182 O THR A 125 -6.733 -1.286 -5.767 1.00 88.45 O ATOM 1183 CB THR A 125 -5.345 0.905 -7.568 1.00 72.58 C ATOM 1184 OG1 THR A 125 -5.381 0.376 -8.896 1.00 75.40 O ATOM 1185 CG2 THR A 125 -4.504 2.175 -7.565 1.00 69.77 C ATOM 1186 HG1 THR A 125 -5.745 1.060 -9.513 1.00 0.00 H ATOM 1187 H THR A 125 -3.145 -0.565 -7.973 1.00 0.00 H ATOM 1188 N GLU A 126 -5.531 -2.385 -7.335 1.00 90.28 N ATOM 1189 CA GLU A 126 -6.413 -3.564 -7.379 1.00 99.33 C ATOM 1190 C GLU A 126 -6.239 -4.493 -6.178 1.00100.29 C ATOM 1191 O GLU A 126 -5.127 -4.908 -5.863 1.00 97.13 O ATOM 1192 CB GLU A 126 -6.179 -4.366 -8.663 1.00106.82 C ATOM 1193 CG GLU A 126 -6.607 -3.660 -9.943 1.00113.28 C ATOM 1194 CD GLU A 126 -8.091 -3.317 -9.970 1.00118.36 C ATOM 1195 OE1 GLU A 126 -8.885 -4.111 -10.537 1.00119.71 O ATOM 1196 OE2 GLU A 126 -8.451 -2.247 -9.423 1.00118.74 O ATOM 1197 H GLU A 126 -4.693 -2.364 -7.951 1.00 0.00 H ATOM 1198 N GLU A 127 -7.347 -4.836 -5.527 1.00105.80 N ATOM 1199 CA GLU A 127 -7.293 -5.646 -4.313 1.00111.46 C ATOM 1200 C GLU A 127 -7.819 -7.078 -4.513 1.00116.91 C ATOM 1201 O GLU A 127 -9.005 -7.294 -4.786 1.00118.77 O ATOM 1202 CB GLU A 127 -8.071 -4.949 -3.183 1.00114.63 C ATOM 1203 CG GLU A 127 -7.735 -5.435 -1.765 1.00117.18 C ATOM 1204 CD GLU A 127 -7.997 -4.375 -0.702 1.00117.95 C ATOM 1205 OE1 GLU A 127 -7.663 -4.619 0.476 1.00118.85 O ATOM 1206 OE2 GLU A 127 -8.531 -3.295 -1.043 1.00117.65 O ATOM 1207 H GLU A 127 -8.270 -4.521 -5.889 1.00 0.00 H ATOM 1208 N GLN A 128 -6.919 -8.050 -4.387 1.00119.12 N ATOM 1209 CA GLN A 128 -7.306 -9.450 -4.285 1.00123.58 C ATOM 1210 C GLN A 128 -7.008 -9.879 -2.861 1.00124.92 C ATOM 1211 O GLN A 128 -6.012 -9.453 -2.275 1.00123.04 O ATOM 1212 CB GLN A 128 -6.518 -10.315 -5.267 1.00124.33 C ATOM 1213 H GLN A 128 -5.909 -7.802 -4.361 1.00 0.00 H ATOM 1214 N PRO A 129 -7.880 -10.711 -2.283 1.00127.78 N ATOM 1215 CA PRO A 129 -7.700 -11.229 -0.918 1.00127.74 C ATOM 1216 C PRO A 129 -6.288 -11.800 -0.653 1.00123.99 C ATOM 1217 O PRO A 129 -5.881 -11.921 0.508 1.00123.21 O ATOM 1218 CB PRO A 129 -8.794 -12.311 -0.803 1.00133.01 C ATOM 1219 CG PRO A 129 -9.455 -12.386 -2.183 1.00134.03 C ATOM 1220 CD PRO A 129 -9.185 -11.086 -2.846 1.00130.74 C ATOM 1221 N ASP A 130 -5.559 -12.118 -1.727 1.00120.44 N ATOM 1222 CA ASP A 130 -4.150 -12.519 -1.657 1.00113.25 C ATOM 1223 C ASP A 130 -3.171 -11.322 -1.584 1.00103.29 C ATOM 1224 O ASP A 130 -2.058 -11.457 -1.066 1.00103.64 O ATOM 1225 CB ASP A 130 -3.797 -13.379 -2.883 1.00113.18 C ATOM 1226 H ASP A 130 -6.015 -12.079 -2.661 1.00 0.00 H ATOM 1227 N GLY A 131 -3.584 -10.157 -2.083 1.00 93.13 N ATOM 1228 CA GLY A 131 -2.695 -9.005 -2.129 1.00 84.71 C ATOM 1229 C GLY A 131 -3.183 -7.846 -2.991 1.00 80.49 C ATOM 1230 O GLY A 131 -4.382 -7.653 -3.186 1.00 80.55 O ATOM 1231 H GLY A 131 -4.555 -10.070 -2.445 1.00 0.00 H ATOM 1232 N LEU A 132 -2.243 -7.062 -3.509 1.00 76.40 N ATOM 1233 CA LEU A 132 -2.563 -5.886 -4.316 1.00 76.74 C ATOM 1234 C LEU A 132 -1.875 -5.932 -5.693 1.00 77.61 C ATOM 1235 O LEU A 132 -0.736 -6.396 -5.801 1.00 78.05 O ATOM 1236 CB LEU A 132 -2.162 -4.604 -3.570 1.00 73.05 C ATOM 1237 CG LEU A 132 -2.941 -4.245 -2.301 1.00 74.33 C ATOM 1238 CD1 LEU A 132 -2.219 -3.152 -1.487 1.00 71.93 C ATOM 1239 CD2 LEU A 132 -4.332 -3.780 -2.693 1.00 76.02 C ATOM 1240 H LEU A 132 -1.244 -7.293 -3.334 1.00 0.00 H ATOM 1241 N SER A 133 -2.563 -5.443 -6.728 1.00 76.04 N ATOM 1242 CA SER A 133 -2.090 -5.523 -8.111 1.00 77.01 C ATOM 1243 C SER A 133 -2.309 -4.216 -8.881 1.00 75.82 C ATOM 1244 O SER A 133 -3.117 -3.383 -8.481 1.00 75.60 O ATOM 1245 CB SER A 133 -2.816 -6.650 -8.860 1.00 79.60 C ATOM 1246 OG SER A 133 -2.499 -7.909 -8.294 1.00 83.57 O ATOM 1247 HG SER A 133 -2.975 -8.622 -8.789 1.00 0.00 H ATOM 1248 H SER A 133 -3.478 -4.984 -6.543 1.00 0.00 H ATOM 1249 N PHE A 134 -1.563 -4.018 -9.965 1.00 72.17 N ATOM 1250 CA PHE A 134 -1.908 -2.962 -10.904 1.00 70.98 C ATOM 1251 C PHE A 134 -3.170 -3.383 -11.683 1.00 71.63 C ATOM 1252 O PHE A 134 -3.439 -4.577 -11.888 1.00 67.22 O ATOM 1253 CB PHE A 134 -0.732 -2.714 -11.862 1.00 72.16 C ATOM 1254 CG PHE A 134 0.257 -1.705 -11.350 1.00 68.85 C ATOM 1255 CD1 PHE A 134 1.091 -2.014 -10.291 1.00 67.54 C ATOM 1256 CD2 PHE A 134 0.393 -0.471 -11.963 1.00 68.72 C ATOM 1257 CE1 PHE A 134 2.011 -1.087 -9.814 1.00 65.62 C ATOM 1258 CE2 PHE A 134 1.331 0.459 -11.494 1.00 66.79 C ATOM 1259 CZ PHE A 134 2.131 0.146 -10.422 1.00 64.95 C ATOM 1260 H PHE A 134 -0.733 -4.619 -10.141 1.00 0.00 H ATOM 1261 N PRO A 135 -3.960 -2.396 -12.122 1.00 75.56 N ATOM 1262 CA PRO A 135 -5.100 -2.700 -13.007 1.00 81.88 C ATOM 1263 C PRO A 135 -4.586 -3.247 -14.345 1.00 86.46 C ATOM 1264 O PRO A 135 -3.476 -2.866 -14.717 1.00 85.40 O ATOM 1265 CB PRO A 135 -5.755 -1.324 -13.209 1.00 80.40 C ATOM 1266 CG PRO A 135 -5.243 -0.462 -12.033 1.00 75.93 C ATOM 1267 CD PRO A 135 -3.847 -0.958 -11.793 1.00 71.68 C ATOM 1268 N GLU A 136 -5.336 -4.097 -15.051 1.00 91.60 N ATOM 1269 CA GLU A 136 -4.838 -4.622 -16.332 1.00 95.20 C ATOM 1270 C GLU A 136 -4.666 -3.496 -17.362 1.00 96.33 C ATOM 1271 O GLU A 136 -3.827 -3.578 -18.265 1.00 96.53 O ATOM 1272 CB GLU A 136 -5.764 -5.715 -16.874 1.00 97.60 C ATOM 1273 H GLU A 136 -6.270 -4.387 -14.696 1.00 0.00 H ATOM 1274 N GLY A 137 -5.435 -2.428 -17.186 1.00 99.01 N ATOM 1275 CA GLY A 137 -5.376 -1.287 -18.075 1.00101.13 C ATOM 1276 C GLY A 137 -4.101 -0.472 -17.942 1.00102.24 C ATOM 1277 O GLY A 137 -3.756 0.265 -18.870 1.00103.91 O ATOM 1278 H GLY A 137 -6.099 -2.411 -16.386 1.00 0.00 H ATOM 1279 N GLN A 138 -3.414 -0.571 -16.800 1.00100.09 N ATOM 1280 CA GLN A 138 -2.102 0.074 -16.652 1.00 95.82 C ATOM 1281 C GLN A 138 -1.001 -0.892 -17.097 1.00 90.47 C ATOM 1282 O GLN A 138 -0.823 -1.964 -16.512 1.00 87.39 O ATOM 1283 CB GLN A 138 -1.858 0.550 -15.213 1.00 99.83 C ATOM 1284 CG GLN A 138 -2.389 1.954 -14.903 1.00104.94 C ATOM 1285 CD GLN A 138 -1.289 3.021 -14.822 1.00107.86 C ATOM 1286 OE1 GLN A 138 -0.183 2.765 -14.331 1.00107.62 O ATOM 1287 NE2 GLN A 138 -1.600 4.230 -15.297 1.00108.87 N ATOM 1288 HE22 GLN A 138 -2.542 4.403 -15.702 1.00 0.00 H ATOM 1289 HE21 GLN A 138 -0.900 4.998 -15.262 1.00 0.00 H ATOM 1290 H GLN A 138 -3.813 -1.111 -16.006 1.00 0.00 H ATOM 1291 N GLU A 139 -0.286 -0.516 -18.156 1.00 88.13 N ATOM 1292 CA GLU A 139 0.730 -1.381 -18.745 1.00 84.75 C ATOM 1293 C GLU A 139 2.093 -1.101 -18.105 1.00 76.85 C ATOM 1294 O GLU A 139 2.943 -1.994 -17.985 1.00 72.03 O ATOM 1295 CB GLU A 139 0.775 -1.206 -20.266 1.00 86.74 C ATOM 1296 H GLU A 139 -0.457 0.421 -18.575 1.00 0.00 H ATOM 1297 N GLU A 140 2.323 0.154 -17.736 1.00 72.58 N ATOM 1298 CA GLU A 140 3.546 0.499 -17.027 1.00 73.85 C ATOM 1299 C GLU A 140 3.204 1.456 -15.899 1.00 70.89 C ATOM 1300 O GLU A 140 2.153 2.123 -15.938 1.00 68.21 O ATOM 1301 CB GLU A 140 4.634 1.075 -17.961 1.00 75.57 C ATOM 1302 CG GLU A 140 4.158 2.133 -18.924 1.00 83.20 C ATOM 1303 CD GLU A 140 3.796 1.529 -20.262 1.00 92.43 C ATOM 1304 OE1 GLU A 140 4.581 0.674 -20.744 1.00 94.30 O ATOM 1305 OE2 GLU A 140 2.722 1.883 -20.813 1.00 97.50 O ATOM 1306 H GLU A 140 1.626 0.894 -17.955 1.00 0.00 H ATOM 1307 N PRO A 141 4.065 1.494 -14.871 1.00 67.62 N ATOM 1308 CA PRO A 141 3.835 2.414 -13.749 1.00 66.65 C ATOM 1309 C PRO A 141 3.971 3.886 -14.181 1.00 65.95 C ATOM 1310 O PRO A 141 4.752 4.170 -15.090 1.00 70.65 O ATOM 1311 CB PRO A 141 4.942 2.025 -12.748 1.00 65.04 C ATOM 1312 CG PRO A 141 6.021 1.359 -13.570 1.00 64.78 C ATOM 1313 CD PRO A 141 5.252 0.633 -14.667 1.00 67.06 C ATOM 1314 N ASP A 142 3.170 4.780 -13.599 1.00 60.80 N ATOM 1315 CA ASP A 142 3.364 6.210 -13.792 1.00 62.03 C ATOM 1316 C ASP A 142 4.638 6.565 -13.053 1.00 62.99 C ATOM 1317 O ASP A 142 4.630 6.667 -11.819 1.00 68.28 O ATOM 1318 CB ASP A 142 2.153 7.009 -13.239 1.00 73.42 C ATOM 1319 CG ASP A 142 2.332 8.554 -13.334 1.00 95.70 C ATOM 1320 OD1 ASP A 142 3.420 9.051 -13.717 1.00 94.50 O ATOM 1321 OD2 ASP A 142 1.368 9.286 -13.000 1.00 96.72 O ATOM 1322 H ASP A 142 2.391 4.449 -12.995 1.00 0.00 H ATOM 1323 N GLU A 143 5.712 6.798 -13.804 1.00 61.65 N ATOM 1324 CA GLU A 143 7.030 7.037 -13.225 1.00 65.68 C ATOM 1325 C GLU A 143 7.079 8.294 -12.353 1.00 65.17 C ATOM 1326 O GLU A 143 7.819 8.334 -11.366 1.00 63.59 O ATOM 1327 CB GLU A 143 8.121 7.086 -14.300 1.00 67.93 C ATOM 1328 CG GLU A 143 8.620 5.690 -14.763 1.00125.06 C ATOM 1329 CD GLU A 143 9.966 5.738 -15.500 1.00125.18 C ATOM 1330 OE1 GLU A 143 10.476 6.862 -15.740 1.00123.54 O ATOM 1331 OE2 GLU A 143 10.485 4.655 -15.881 1.00126.43 O ATOM 1332 H GLU A 143 5.608 6.810 -14.839 1.00 0.00 H ATOM 1333 N HIS A 144 6.324 9.329 -12.705 1.00 65.59 N ATOM 1334 CA HIS A 144 6.390 10.525 -11.884 1.00 65.36 C ATOM 1335 C HIS A 144 5.722 10.269 -10.537 1.00 62.92 C ATOM 1336 O HIS A 144 6.273 10.647 -9.473 1.00 55.19 O ATOM 1337 CB HIS A 144 5.742 11.742 -12.551 1.00 64.44 C ATOM 1338 CG HIS A 144 5.932 13.004 -11.767 1.00 65.62 C ATOM 1339 ND1 HIS A 144 4.933 13.551 -10.978 1.00 63.36 N ATOM 1340 CD2 HIS A 144 7.021 13.799 -11.608 1.00 64.51 C ATOM 1341 CE1 HIS A 144 5.390 14.649 -10.394 1.00 59.13 C ATOM 1342 NE2 HIS A 144 6.655 14.823 -10.761 1.00 63.29 N ATOM 1343 H HIS A 144 5.706 9.284 -13.541 1.00 0.00 H ATOM 1344 N GLN A 145 4.553 9.625 -10.578 1.00 64.64 N ATOM 1345 CA GLN A 145 3.850 9.312 -9.349 1.00 66.56 C ATOM 1346 C GLN A 145 4.745 8.420 -8.509 1.00 64.16 C ATOM 1347 O GLN A 145 4.965 8.708 -7.328 1.00 58.15 O ATOM 1348 CB GLN A 145 2.491 8.646 -9.616 1.00 69.17 C ATOM 1349 CG GLN A 145 1.807 8.068 -8.358 1.00 70.85 C ATOM 1350 CD GLN A 145 1.284 9.134 -7.348 1.00 88.26 C ATOM 1351 OE1 GLN A 145 1.328 10.342 -7.610 1.00 90.90 O ATOM 1352 NE2 GLN A 145 0.753 8.667 -6.201 1.00 83.49 N ATOM 1353 HE22 GLN A 145 0.734 7.644 -6.016 1.00 0.00 H ATOM 1354 HE21 GLN A 145 0.362 9.330 -5.501 1.00 0.00 H ATOM 1355 H GLN A 145 4.146 9.347 -11.494 1.00 0.00 H ATOM 1356 N VAL A 146 5.339 7.407 -9.127 1.00 56.53 N ATOM 1357 CA VAL A 146 6.195 6.520 -8.360 1.00 56.07 C ATOM 1358 C VAL A 146 7.394 7.214 -7.720 1.00 58.61 C ATOM 1359 O VAL A 146 7.682 7.016 -6.494 1.00 50.26 O ATOM 1360 CB VAL A 146 6.686 5.322 -9.212 1.00 53.78 C ATOM 1361 CG1 VAL A 146 7.852 4.636 -8.507 1.00 50.56 C ATOM 1362 CG2 VAL A 146 5.511 4.345 -9.511 1.00 54.39 C ATOM 1363 H VAL A 146 5.194 7.251 -10.145 1.00 0.00 H ATOM 1364 N ALA A 147 8.100 8.028 -8.516 1.00 58.68 N ATOM 1365 CA ALA A 147 9.310 8.693 -7.997 1.00 59.95 C ATOM 1366 C ALA A 147 8.962 9.617 -6.800 1.00 55.64 C ATOM 1367 O ALA A 147 9.682 9.714 -5.799 1.00 51.31 O ATOM 1368 CB ALA A 147 10.014 9.477 -9.099 1.00 56.27 C ATOM 1369 H ALA A 147 7.796 8.191 -9.497 1.00 0.00 H ATOM 1370 N THR A 148 7.821 10.270 -6.903 1.00 56.14 N ATOM 1371 CA THR A 148 7.461 11.260 -5.915 1.00 57.52 C ATOM 1372 C THR A 148 7.052 10.559 -4.602 1.00 61.48 C ATOM 1373 O THR A 148 7.427 11.022 -3.498 1.00 58.63 O ATOM 1374 CB THR A 148 6.387 12.210 -6.497 1.00 64.25 C ATOM 1375 OG1 THR A 148 6.402 13.466 -5.817 1.00 77.93 O ATOM 1376 CG2 THR A 148 5.017 11.601 -6.406 1.00 64.87 C ATOM 1377 HG1 THR A 148 5.709 14.058 -6.204 1.00 0.00 H ATOM 1378 H THR A 148 7.179 10.072 -7.697 1.00 0.00 H ATOM 1379 N VAL A 149 6.414 9.389 -4.718 1.00 60.01 N ATOM 1380 CA VAL A 149 6.068 8.603 -3.549 1.00 60.15 C ATOM 1381 C VAL A 149 7.325 8.008 -2.904 1.00 57.79 C ATOM 1382 O VAL A 149 7.489 8.055 -1.683 1.00 57.27 O ATOM 1383 CB VAL A 149 5.076 7.484 -3.900 1.00 61.02 C ATOM 1384 CG1 VAL A 149 4.888 6.560 -2.677 1.00 61.56 C ATOM 1385 CG2 VAL A 149 3.724 8.090 -4.369 1.00 46.99 C ATOM 1386 H VAL A 149 6.162 9.037 -5.663 1.00 0.00 H ATOM 1387 N THR A 150 8.221 7.474 -3.733 1.00 52.53 N ATOM 1388 CA THR A 150 9.484 6.912 -3.268 1.00 53.16 C ATOM 1389 C THR A 150 10.310 7.949 -2.515 1.00 56.00 C ATOM 1390 O THR A 150 10.830 7.686 -1.424 1.00 54.62 O ATOM 1391 CB THR A 150 10.314 6.414 -4.469 1.00 56.62 C ATOM 1392 OG1 THR A 150 9.558 5.446 -5.214 1.00 55.61 O ATOM 1393 CG2 THR A 150 11.659 5.826 -4.012 1.00 55.81 C ATOM 1394 HG1 THR A 150 8.723 5.863 -5.543 1.00 0.00 H ATOM 1395 H THR A 150 8.012 7.457 -4.752 1.00 0.00 H ATOM 1396 N LEU A 151 10.380 9.152 -3.073 1.00 53.02 N ATOM 1397 CA LEU A 151 11.129 10.229 -2.440 1.00 54.54 C ATOM 1398 C LEU A 151 10.527 10.563 -1.072 1.00 51.57 C ATOM 1399 O LEU A 151 11.252 10.656 -0.086 1.00 52.63 O ATOM 1400 CB LEU A 151 11.070 11.468 -3.321 1.00 59.16 C ATOM 1401 CG LEU A 151 11.790 12.651 -2.685 1.00 67.53 C ATOM 1402 CD1 LEU A 151 13.289 12.338 -2.527 1.00 70.17 C ATOM 1403 CD2 LEU A 151 11.538 13.949 -3.488 1.00 70.13 C ATOM 1404 H LEU A 151 9.893 9.328 -3.975 1.00 0.00 H ATOM 1405 N GLU A 152 9.204 10.733 -1.022 1.00 49.48 N ATOM 1406 CA GLU A 152 8.491 11.003 0.213 1.00 51.06 C ATOM 1407 C GLU A 152 8.664 9.859 1.245 1.00 57.69 C ATOM 1408 O GLU A 152 8.722 10.091 2.458 1.00 51.25 O ATOM 1409 CB GLU A 152 7.004 11.253 -0.074 1.00 49.06 C ATOM 1410 CG GLU A 152 6.730 12.578 -0.776 1.00 54.91 C ATOM 1411 CD GLU A 152 5.260 13.009 -0.709 1.00 61.64 C ATOM 1412 OE1 GLU A 152 4.401 12.212 -0.248 1.00 67.52 O ATOM 1413 OE2 GLU A 152 4.958 14.156 -1.111 1.00 62.47 O ATOM 1414 H GLU A 152 8.661 10.669 -1.906 1.00 0.00 H ATOM 1415 N VAL A 153 8.727 8.629 0.752 1.00 59.22 N ATOM 1416 CA VAL A 153 8.959 7.492 1.620 1.00 56.82 C ATOM 1417 C VAL A 153 10.360 7.587 2.183 1.00 61.12 C ATOM 1418 O VAL A 153 10.549 7.438 3.405 1.00 61.65 O ATOM 1419 CB VAL A 153 8.747 6.162 0.880 1.00 54.99 C ATOM 1420 CG1 VAL A 153 9.478 5.027 1.589 1.00 56.44 C ATOM 1421 CG2 VAL A 153 7.246 5.876 0.752 1.00 52.06 C ATOM 1422 H VAL A 153 8.608 8.479 -0.270 1.00 0.00 H ATOM 1423 N LEU A 154 11.336 7.890 1.316 1.00 55.94 N ATOM 1424 CA LEU A 154 12.713 8.021 1.768 1.00 54.45 C ATOM 1425 C LEU A 154 12.904 9.205 2.725 1.00 53.76 C ATOM 1426 O LEU A 154 13.625 9.094 3.719 1.00 54.31 O ATOM 1427 CB LEU A 154 13.638 8.172 0.560 1.00 57.43 C ATOM 1428 CG LEU A 154 14.889 9.033 0.769 1.00 60.19 C ATOM 1429 CD1 LEU A 154 15.991 8.230 1.472 1.00 60.61 C ATOM 1430 CD2 LEU A 154 15.370 9.540 -0.596 1.00 63.16 C ATOM 1431 H LEU A 154 11.107 8.033 0.312 1.00 0.00 H ATOM 1432 N LEU A 155 12.205 10.306 2.453 1.00 53.83 N ATOM 1433 CA LEU A 155 12.274 11.518 3.274 1.00 59.25 C ATOM 1434 C LEU A 155 11.721 11.307 4.692 1.00 61.45 C ATOM 1435 O LEU A 155 12.301 11.748 5.696 1.00 55.25 O ATOM 1436 CB LEU A 155 11.486 12.638 2.584 1.00 59.31 C ATOM 1437 CG LEU A 155 11.554 13.933 3.384 1.00 60.10 C ATOM 1438 CD1 LEU A 155 13.020 14.417 3.492 1.00 59.76 C ATOM 1439 CD2 LEU A 155 10.621 15.002 2.790 1.00 61.51 C ATOM 1440 H LEU A 155 11.582 10.305 1.620 1.00 0.00 H ATOM 1441 N LEU A 156 10.582 10.638 4.755 1.00 61.32 N ATOM 1442 CA LEU A 156 9.982 10.335 6.026 1.00 60.70 C ATOM 1443 C LEU A 156 10.911 9.404 6.800 1.00 61.48 C ATOM 1444 O LEU A 156 11.072 9.561 8.001 1.00 61.76 O ATOM 1445 CB LEU A 156 8.598 9.711 5.819 1.00 59.38 C ATOM 1446 CG LEU A 156 7.836 9.399 7.113 1.00 59.85 C ATOM 1447 CD1 LEU A 156 7.708 10.653 8.010 1.00 59.19 C ATOM 1448 CD2 LEU A 156 6.460 8.787 6.798 1.00 55.48 C ATOM 1449 H LEU A 156 10.116 10.329 3.878 1.00 0.00 H ATOM 1450 N ARG A 157 11.494 8.411 6.136 1.00 59.97 N ATOM 1451 CA ARG A 157 12.403 7.529 6.844 1.00 61.81 C ATOM 1452 C ARG A 157 13.595 8.313 7.337 1.00 65.71 C ATOM 1453 O ARG A 157 14.075 8.092 8.447 1.00 69.84 O ATOM 1454 CB ARG A 157 12.855 6.338 5.991 1.00 59.93 C ATOM 1455 CG ARG A 157 13.847 5.413 6.758 1.00 66.03 C ATOM 1456 CD ARG A 157 14.198 4.167 5.959 1.00 70.03 C ATOM 1457 NE ARG A 157 14.717 4.515 4.634 1.00 74.76 N ATOM 1458 CZ ARG A 157 15.986 4.806 4.370 1.00 75.15 C ATOM 1459 NH1 ARG A 157 16.896 4.737 5.341 1.00 75.52 N ATOM 1460 NH2 ARG A 157 16.352 5.121 3.125 1.00 71.59 N ATOM 1461 HE ARG A 157 14.043 4.536 3.842 1.00 0.00 H ATOM 1462 HH12 ARG A 157 17.891 4.964 5.139 1.00 0.00 H ATOM 1463 HH11 ARG A 157 16.612 4.456 6.301 1.00 0.00 H ATOM 1464 HH22 ARG A 157 17.345 5.349 2.917 1.00 0.00 H ATOM 1465 HH21 ARG A 157 15.644 5.138 2.363 1.00 0.00 H ATOM 1466 H ARG A 157 11.301 8.268 5.124 1.00 0.00 H ATOM 1467 N THR A 158 14.060 9.258 6.533 1.00 63.97 N ATOM 1468 CA THR A 158 15.192 10.064 6.960 1.00 63.07 C ATOM 1469 C THR A 158 14.821 10.923 8.179 1.00 64.80 C ATOM 1470 O THR A 158 15.606 11.050 9.140 1.00 69.05 O ATOM 1471 CB THR A 158 15.685 10.964 5.837 1.00 58.60 C ATOM 1472 OG1 THR A 158 16.121 10.154 4.724 1.00 63.78 O ATOM 1473 CG2 THR A 158 16.819 11.828 6.352 1.00 52.65 C ATOM 1474 HG1 THR A 158 16.857 9.560 5.018 1.00 0.00 H ATOM 1475 H THR A 158 13.619 9.422 5.605 1.00 0.00 H ATOM 1476 N GLU A 159 13.620 11.497 8.149 1.00 62.99 N ATOM 1477 CA GLU A 159 13.147 12.301 9.279 1.00 70.21 C ATOM 1478 C GLU A 159 13.049 11.508 10.607 1.00 64.27 C ATOM 1479 O GLU A 159 13.475 11.993 11.665 1.00 66.54 O ATOM 1480 CB GLU A 159 11.786 12.937 8.952 1.00 69.48 C ATOM 1481 CG GLU A 159 11.842 14.053 7.917 1.00 70.62 C ATOM 1482 CD GLU A 159 10.722 15.051 8.083 1.00 73.63 C ATOM 1483 OE1 GLU A 159 10.665 15.712 9.148 1.00 76.23 O ATOM 1484 OE2 GLU A 159 9.891 15.164 7.156 1.00 74.91 O ATOM 1485 H GLU A 159 13.011 11.373 7.315 1.00 0.00 H ATOM 1486 N LEU A 160 12.523 10.284 10.533 1.00 59.92 N ATOM 1487 CA LEU A 160 12.350 9.438 11.715 1.00 61.64 C ATOM 1488 C LEU A 160 13.710 9.051 12.261 1.00 65.07 C ATOM 1489 O LEU A 160 13.901 8.966 13.468 1.00 67.36 O ATOM 1490 CB LEU A 160 11.517 8.199 11.378 1.00 58.15 C ATOM 1491 CG LEU A 160 10.055 8.437 10.955 1.00 58.48 C ATOM 1492 CD1 LEU A 160 9.336 7.091 10.717 1.00 58.04 C ATOM 1493 CD2 LEU A 160 9.304 9.295 12.006 1.00 59.11 C ATOM 1494 H LEU A 160 12.226 9.919 9.605 1.00 0.00 H ATOM 1495 N SER A 161 14.656 8.816 11.364 1.00 66.12 N ATOM 1496 CA SER A 161 15.991 8.409 11.774 1.00 69.74 C ATOM 1497 C SER A 161 16.728 9.483 12.597 1.00 70.13 C ATOM 1498 O SER A 161 17.530 9.162 13.480 1.00 68.65 O ATOM 1499 CB SER A 161 16.797 8.018 10.546 1.00 72.10 C ATOM 1500 OG SER A 161 17.971 7.328 10.941 1.00 76.92 O ATOM 1501 HG SER A 161 17.720 6.512 11.442 1.00 0.00 H ATOM 1502 H SER A 161 14.441 8.924 10.352 1.00 0.00 H ATOM 1503 N LEU A 162 16.466 10.752 12.287 1.00 71.17 N ATOM 1504 CA LEU A 162 17.069 11.858 13.015 1.00 72.86 C ATOM 1505 C LEU A 162 16.352 12.055 14.341 1.00 76.22 C ATOM 1506 O LEU A 162 16.971 12.480 15.326 1.00 77.26 O ATOM 1507 CB LEU A 162 17.024 13.134 12.187 1.00 71.10 C ATOM 1508 CG LEU A 162 17.805 13.070 10.867 1.00 71.11 C ATOM 1509 CD1 LEU A 162 17.825 14.441 10.186 1.00 74.46 C ATOM 1510 CD2 LEU A 162 19.238 12.575 11.103 1.00 68.14 C ATOM 1511 H LEU A 162 15.813 10.957 11.504 1.00 0.00 H ATOM 1512 N LEU A 163 15.058 11.724 14.368 1.00 75.02 N ATOM 1513 CA LEU A 163 14.277 11.809 15.605 1.00 76.15 C ATOM 1514 C LEU A 163 14.811 10.771 16.566 1.00 77.08 C ATOM 1515 O LEU A 163 15.024 11.078 17.740 1.00 76.32 O ATOM 1516 CB LEU A 163 12.790 11.571 15.348 1.00 74.79 C ATOM 1517 CG LEU A 163 12.039 12.715 14.647 1.00 74.84 C ATOM 1518 CD1 LEU A 163 10.563 12.379 14.406 1.00 74.87 C ATOM 1519 CD2 LEU A 163 12.167 14.018 15.447 1.00 71.78 C ATOM 1520 H LEU A 163 14.596 11.400 13.494 1.00 0.00 H ATOM 1521 N LEU A 164 15.077 9.567 16.051 1.00 76.40 N ATOM 1522 CA LEU A 164 15.688 8.515 16.854 1.00 81.04 C ATOM 1523 C LEU A 164 17.037 8.952 17.437 1.00 85.57 C ATOM 1524 O LEU A 164 17.374 8.584 18.558 1.00 89.70 O ATOM 1525 CB LEU A 164 15.891 7.255 16.005 1.00 80.37 C ATOM 1526 CG LEU A 164 14.669 6.378 15.757 1.00 80.50 C ATOM 1527 CD1 LEU A 164 14.967 5.317 14.696 1.00 82.26 C ATOM 1528 CD2 LEU A 164 14.255 5.729 17.074 1.00 79.62 C ATOM 1529 H LEU A 164 14.843 9.376 15.056 1.00 0.00 H ATOM 1530 N GLN A 165 17.790 9.750 16.685 1.00 86.53 N ATOM 1531 CA GLN A 165 19.107 10.201 17.124 1.00 90.03 C ATOM 1532 C GLN A 165 19.044 11.548 17.851 1.00 86.49 C ATOM 1533 O GLN A 165 20.072 12.080 18.287 1.00 85.00 O ATOM 1534 CB GLN A 165 20.031 10.304 15.924 1.00 95.65 C ATOM 1535 CG GLN A 165 20.278 8.980 15.219 1.00100.35 C ATOM 1536 CD GLN A 165 21.140 9.157 13.986 1.00104.97 C ATOM 1537 OE1 GLN A 165 22.027 10.014 13.961 1.00110.27 O ATOM 1538 NE2 GLN A 165 20.855 8.381 12.937 1.00101.32 N ATOM 1539 HE22 GLN A 165 20.098 7.672 13.005 1.00 0.00 H ATOM 1540 HE21 GLN A 165 21.390 8.486 12.052 1.00 0.00 H ATOM 1541 H GLN A 165 17.431 10.061 15.760 1.00 0.00 H ATOM 1542 N ASN A 166 17.835 12.098 17.943 1.00 83.94 N ATOM 1543 CA ASN A 166 17.594 13.443 18.470 1.00 86.47 C ATOM 1544 C ASN A 166 18.307 14.592 17.742 1.00 86.27 C ATOM 1545 O ASN A 166 18.600 15.628 18.374 1.00 86.19 O ATOM 1546 CB ASN A 166 17.959 13.511 19.955 1.00 91.49 C ATOM 1547 CG ASN A 166 16.818 13.102 20.852 1.00 93.42 C ATOM 1548 OD1 ASN A 166 16.671 11.916 21.175 1.00 94.21 O ATOM 1549 ND2 ASN A 166 16.017 14.080 21.284 1.00 93.47 N ATOM 1550 HD22 ASN A 166 16.185 15.061 20.982 1.00 0.00 H ATOM 1551 HD21 ASN A 166 15.226 13.860 21.922 1.00 0.00 H ATOM 1552 H ASN A 166 17.017 11.542 17.623 1.00 0.00 H ATOM 1553 N THR A 167 18.534 14.450 16.427 1.00 78.95 N ATOM 1554 CA THR A 167 19.284 15.474 15.693 1.00 77.05 C ATOM 1555 C THR A 167 18.465 16.196 14.641 1.00 75.02 C ATOM 1556 O THR A 167 19.005 17.012 13.881 1.00 73.92 O ATOM 1557 CB THR A 167 20.583 14.917 15.046 1.00 72.87 C ATOM 1558 OG1 THR A 167 20.328 13.650 14.404 1.00 71.92 O ATOM 1559 CG2 THR A 167 21.696 14.794 16.117 1.00 72.32 C ATOM 1560 HG1 THR A 167 21.166 13.312 13.999 1.00 0.00 H ATOM 1561 H THR A 167 18.177 13.611 15.927 1.00 0.00 H ATOM 1562 N HIS A 168 17.164 15.910 14.606 1.00 73.98 N ATOM 1563 CA HIS A 168 16.262 16.554 13.654 1.00 75.74 C ATOM 1564 C HIS A 168 16.220 18.068 13.926 1.00 79.77 C ATOM 1565 O HIS A 168 16.128 18.485 15.077 1.00 79.36 O ATOM 1566 CB HIS A 168 14.849 15.945 13.757 1.00 72.00 C ATOM 1567 CG HIS A 168 13.977 16.240 12.578 1.00 72.31 C ATOM 1568 ND1 HIS A 168 13.579 17.518 12.244 1.00 76.08 N ATOM 1569 CD2 HIS A 168 13.442 15.425 11.635 1.00 71.90 C ATOM 1570 CE1 HIS A 168 12.844 17.478 11.146 1.00 75.24 C ATOM 1571 NE2 HIS A 168 12.742 16.218 10.757 1.00 71.30 N ATOM 1572 H HIS A 168 16.781 15.210 15.273 1.00 0.00 H ATOM 1573 N PRO A 169 16.328 18.895 12.862 1.00 83.06 N ATOM 1574 CA PRO A 169 16.317 20.360 13.031 1.00 88.33 C ATOM 1575 C PRO A 169 15.073 20.867 13.764 1.00 93.09 C ATOM 1576 O PRO A 169 15.177 21.807 14.561 1.00 97.77 O ATOM 1577 CB PRO A 169 16.308 20.881 11.589 1.00 88.09 C ATOM 1578 CG PRO A 169 16.972 19.786 10.784 1.00 86.30 C ATOM 1579 CD PRO A 169 16.517 18.501 11.447 1.00 82.94 C ATOM 1580 N ARG A 170 13.926 20.234 13.508 1.00 92.91 N ATOM 1581 CA ARG A 170 12.659 20.587 14.158 1.00 94.59 C ATOM 1582 C ARG A 170 12.184 19.480 15.134 1.00 90.52 C ATOM 1583 O ARG A 170 10.986 19.182 15.219 1.00 89.61 O ATOM 1584 CB ARG A 170 11.574 20.852 13.094 1.00 95.23 C ATOM 1585 CG ARG A 170 11.922 21.920 12.054 1.00103.28 C ATOM 1586 CD ARG A 170 10.971 23.138 12.118 1.00112.47 C ATOM 1587 NE ARG A 170 10.718 23.586 13.497 1.00121.55 N ATOM 1588 CZ ARG A 170 10.110 24.724 13.846 1.00127.15 C ATOM 1589 NH1 ARG A 170 9.678 25.576 12.919 1.00129.41 N ATOM 1590 NH2 ARG A 170 9.936 25.014 15.134 1.00128.36 N ATOM 1591 HE ARG A 170 11.040 22.964 14.266 1.00 0.00 H ATOM 1592 HH12 ARG A 170 9.206 26.458 13.203 1.00 0.00 H ATOM 1593 HH11 ARG A 170 9.812 25.359 11.911 1.00 0.00 H ATOM 1594 HH22 ARG A 170 9.463 25.899 15.409 1.00 0.00 H ATOM 1595 HH21 ARG A 170 10.273 24.356 15.865 1.00 0.00 H ATOM 1596 H ARG A 170 13.931 19.456 12.817 1.00 0.00 H ATOM 1597 N GLN A 171 13.121 18.919 15.898 1.00 88.13 N ATOM 1598 CA GLN A 171 12.854 17.767 16.777 1.00 89.95 C ATOM 1599 C GLN A 171 11.739 17.920 17.831 1.00 97.65 C ATOM 1600 O GLN A 171 10.909 17.006 17.998 1.00 97.03 O ATOM 1601 CB GLN A 171 14.135 17.380 17.521 1.00 87.21 C ATOM 1602 CG GLN A 171 13.945 16.210 18.465 1.00 85.60 C ATOM 1603 CD GLN A 171 14.432 14.904 17.866 1.00 81.70 C ATOM 1604 OE1 GLN A 171 15.264 14.904 16.958 1.00 80.10 O ATOM 1605 NE2 GLN A 171 13.904 13.784 18.359 1.00 80.31 N ATOM 1606 HE22 GLN A 171 13.204 13.833 19.127 1.00 0.00 H ATOM 1607 HE21 GLN A 171 14.192 12.861 17.976 1.00 0.00 H ATOM 1608 H GLN A 171 14.084 19.312 15.873 1.00 0.00 H ATOM 1609 N GLN A 172 11.730 19.052 18.544 1.00102.80 N ATOM 1610 CA GLN A 172 10.739 19.288 19.599 1.00107.19 C ATOM 1611 C GLN A 172 9.389 19.607 18.962 1.00108.91 C ATOM 1612 O GLN A 172 8.336 19.219 19.468 1.00110.43 O ATOM 1613 CB GLN A 172 11.185 20.414 20.541 1.00108.51 C ATOM 1614 H GLN A 172 12.443 19.782 18.345 1.00 0.00 H ATOM 1615 N ALA A 173 9.434 20.317 17.844 1.00109.75 N ATOM 1616 CA ALA A 173 8.229 20.687 17.121 1.00111.73 C ATOM 1617 C ALA A 173 7.555 19.462 16.453 1.00112.28 C ATOM 1618 O ALA A 173 6.366 19.504 16.144 1.00115.44 O ATOM 1619 CB ALA A 173 8.555 21.763 16.096 1.00111.85 C ATOM 1620 H ALA A 173 10.358 20.618 17.473 1.00 0.00 H ATOM 1621 N LEU A 174 8.315 18.390 16.219 1.00109.70 N ATOM 1622 CA LEU A 174 7.788 17.143 15.630 1.00107.53 C ATOM 1623 C LEU A 174 7.248 16.131 16.676 1.00 94.66 C ATOM 1624 O LEU A 174 6.435 15.248 16.363 1.00 89.06 O ATOM 1625 CB LEU A 174 8.876 16.481 14.781 1.00105.26 C ATOM 1626 CG LEU A 174 8.550 16.338 13.300 1.00104.20 C ATOM 1627 CD1 LEU A 174 9.803 15.997 12.502 1.00104.43 C ATOM 1628 CD2 LEU A 174 7.476 15.274 13.115 1.00102.98 C ATOM 1629 H LEU A 174 9.325 18.435 16.463 1.00 0.00 H ATOM 1630 N GLU A 175 7.708 16.258 17.916 1.00100.55 N ATOM 1631 CA GLU A 175 7.143 15.480 19.008 1.00107.96 C ATOM 1632 C GLU A 175 5.754 16.017 19.364 1.00112.98 C ATOM 1633 O GLU A 175 5.101 15.507 20.275 1.00114.92 O ATOM 1634 CB GLU A 175 8.064 15.498 20.233 1.00110.43 C ATOM 1635 H GLU A 175 8.484 16.923 18.109 1.00 0.00 H ATOM 1636 N GLN A 176 5.320 17.053 18.643 1.00114.78 N ATOM 1637 CA GLN A 176 3.946 17.537 18.711 1.00115.65 C ATOM 1638 C GLN A 176 2.983 16.400 18.373 1.00115.10 C ATOM 1639 O GLN A 176 2.011 16.174 19.103 1.00118.15 O ATOM 1640 CB GLN A 176 3.737 18.712 17.751 1.00115.55 C ATOM 1641 H GLN A 176 5.988 17.534 18.008 1.00 0.00 H ATOM 1642 N LEU A 177 3.267 15.688 17.278 1.00111.45 N ATOM 1643 CA LEU A 177 2.501 14.501 16.884 1.00108.34 C ATOM 1644 C LEU A 177 1.049 14.857 16.546 1.00110.01 C ATOM 1645 O LEU A 177 0.108 14.183 16.974 1.00111.32 O ATOM 1646 CB LEU A 177 2.567 13.415 17.980 1.00105.37 C ATOM 1647 CG LEU A 177 3.477 12.180 17.849 1.00 99.82 C ATOM 1648 CD1 LEU A 177 4.421 12.013 19.043 1.00 98.19 C ATOM 1649 CD2 LEU A 177 2.631 10.932 17.686 1.00 99.28 C ATOM 1650 H LEU A 177 4.064 15.988 16.681 1.00 0.00 H TER 1651 LEU A 177 HETATM 1652 O HOH 1 6.558 -16.445 6.511 1.00105.87 O HETATM 1653 O HOH 2 8.413 7.231 26.936 1.00 82.92 O HETATM 1654 O HOH 3 10.741 4.820 28.357 1.00 79.74 O HETATM 1655 O HOH 4 22.846 10.856 11.615 1.00 77.50 O HETATM 1656 O HOH 5 -3.778 2.577 14.437 1.00 87.54 O HETATM 1657 O HOH 6 20.923 17.901 6.242 1.00 82.06 O HETATM 1658 O HOH 7 3.678 -4.733 -18.005 1.00 75.40 O HETATM 1659 O HOH 8 24.404 11.507 4.785 1.00 66.56 O HETATM 1660 O HOH 9 9.623 -15.876 -15.058 1.00111.22 O HETATM 1661 O HOH 10 8.810 -11.179 -20.174 1.00 72.64 O HETATM 1662 O HOH 11 9.566 -9.703 -18.744 1.00 77.60 O HETATM 1663 O HOH 12 18.972 21.108 7.769 1.00101.05 O HETATM 1664 O HOH 13 14.800 -7.171 -7.569 1.00 87.50 O HETATM 1665 O HOH 14 -0.022 -4.384 -20.272 1.00104.10 O HETATM 1666 O HOH 15 2.645 -14.451 -8.807 1.00105.77 O HETATM 1667 O HOH 16 2.010 3.971 -11.202 1.00 57.55 O HETATM 1668 O HOH 17 16.076 18.659 -12.749 1.00 68.53 O HETATM 1669 O HOH 18 8.408 28.844 -7.606 1.00 72.02 O HETATM 1670 O HOH 19 -2.145 1.874 -11.188 1.00 66.82 O HETATM 1671 O HOH 20 6.496 -0.838 17.272 1.00 72.07 O HETATM 1672 O HOH 21 11.896 5.763 23.354 1.00 73.79 O HETATM 1673 O HOH 22 17.591 16.809 -10.387 1.00 76.27 O HETATM 1674 O HOH 23 -3.153 0.141 4.929 1.00 89.40 O HETATM 1675 O HOH 24 18.562 9.312 4.321 1.00 78.21 O HETATM 1676 O HOH 25 13.126 5.058 -14.814 1.00 84.10 O HETATM 1677 O HOH 26 -6.068 3.601 -3.637 1.00 93.70 O HETATM 1678 O HOH 27 0.542 -7.024 -18.239 1.00102.02 O HETATM 1679 O HOH 28 -4.573 5.935 -2.704 1.00 85.75 O HETATM 1680 O HOH 29 5.082 10.167 -15.646 1.00 77.13 O HETATM 1681 O HOH 30 -4.910 -5.628 7.828 1.00102.15 O HETATM 1682 O HOH 31 10.273 1.222 -14.908 1.00 72.73 O HETATM 1683 O HOH 32 4.643 -8.397 -13.519 1.00 76.57 O HETATM 1684 O HOH 33 7.416 0.255 22.644 1.00 80.49 O HETATM 1685 O HOH 34 19.262 7.296 -0.381 1.00 77.60 O HETATM 1686 O HOH 35 -0.033 -2.603 6.704 1.00 65.44 O HETATM 1687 O HOH 36 20.551 4.720 -14.615 1.00 80.72 O HETATM 1688 O HOH 37 -3.397 5.089 -0.450 1.00 85.64 O HETATM 1689 O HOH 38 0.353 14.271 7.074 1.00 72.98 O HETATM 1690 O HOH 39 15.939 23.901 16.321 1.00101.71 O HETATM 1691 O HOH 40 11.348 14.091 20.379 1.00 91.84 O HETATM 1692 O HOH 41 -2.746 -6.085 9.009 1.00 94.48 O HETATM 1693 O HOH 42 7.244 3.095 -17.880 1.00112.65 O HETATM 1694 O HOH 43 8.192 -2.780 10.137 1.00 85.35 O HETATM 1695 O HOH 44 6.146 7.302 -16.966 1.00 69.83 O HETATM 1696 O HOH 45 -2.398 -1.377 6.697 1.00 83.27 O HETATM 1697 O HOH 46 -0.345 4.103 -11.518 1.00 77.38 O HETATM 1698 O HOH 47 -0.006 7.109 2.474 1.00 75.10 O HETATM 1699 O HOH 48 -2.522 7.516 1.374 1.00 66.28 O HETATM 1700 O HOH 49 -5.697 -4.864 -21.721 1.00112.91 O HETATM 1701 O HOH 50 18.630 4.025 -13.321 1.00 73.35 O HETATM 1702 O HOH 51 7.093 19.376 -6.385 1.00 80.38 O HETATM 1703 O HOH 52 18.219 4.950 12.650 1.00 88.46 O HETATM 1704 O HOH 53 3.695 18.422 14.396 1.00102.46 O HETATM 1705 O HOH 54 13.986 23.628 19.517 1.00 88.90 O HETATM 1706 O HOH 55 -1.392 7.117 -15.422 1.00 94.64 O HETATM 1707 O HOH 56 0.024 3.202 -18.719 1.00 85.65 O HETATM 1708 O HOH 57 13.354 -8.737 -5.307 1.00 74.52 O HETATM 1709 O HOH 58 7.526 -2.920 -6.610 1.00 55.20 O HETATM 1710 N ASP A 59 13.243 -11.929 -1.198 1.00 0.24 N HETATM 1711 CA ASP A 59 12.619 -11.320 -2.373 1.00 0.08 C HETATM 1712 C ASP A 59 11.259 -10.696 -2.028 1.00 0.23 C HETATM 1713 O ASP A 59 10.557 -11.175 -1.142 1.00 -0.39 O HETATM 1714 N ASP A 59 10.900 -9.621 -2.730 1.00 -0.26 N HETATM 1715 CA ASP A 59 9.736 -8.801 -2.373 1.00 0.13 C HETATM 1716 C ASP A 59 8.415 -9.142 -3.110 1.00 0.20 C HETATM 1717 O ASP A 59 7.352 -8.627 -2.748 1.00 -0.39 O HETATM 1718 N ASP A 59 8.467 -10.004 -4.121 1.00 -0.26 N HETATM 1719 CA ASP A 59 7.278 -10.246 -4.932 1.00 0.14 C HETATM 1720 C ASP A 59 6.745 -11.691 -4.877 1.00 0.20 C HETATM 1721 O ASP A 59 5.784 -12.030 -5.573 1.00 -0.39 O HETATM 1722 N ASP A 59 7.322 -12.524 -4.017 1.00 -0.27 N HETATM 1723 CA ASP A 59 6.912 -13.918 -3.934 1.00 0.08 C HETATM 1724 C ASP A 59 5.466 -14.202 -3.533 1.00 0.06 C HETATM 1725 O ASP A 59 5.135 -14.444 -2.369 1.00 -0.57 O HETATM 1726 OXT ASP A 59 4.572 -14.226 -4.383 1.00 -0.57 O HETATM 1727 H ASP A 59 7.562 -14.410 -3.195 1.00 0.07 H HETATM 1728 H ASP A 59 7.075 -14.369 -4.924 1.00 0.07 H HETATM 1729 H ASP A 59 8.049 -12.188 -3.418 1.00 0.19 H HETATM 1730 CB ASP A 59 7.541 -9.828 -6.382 1.00 0.02 C HETATM 1731 CG ASP A 59 8.009 -8.396 -6.519 1.00 -0.05 C HETATM 1732 CD1 ASP A 59 9.366 -8.080 -6.485 1.00 -0.07 C HETATM 1733 CE1 ASP A 59 9.797 -6.761 -6.592 1.00 -0.04 C HETATM 1734 CZ ASP A 59 8.864 -5.749 -6.724 1.00 0.08 C HETATM 1735 CE2 ASP A 59 7.517 -6.035 -6.750 1.00 -0.04 C HETATM 1736 CD2 ASP A 59 7.098 -7.357 -6.637 1.00 -0.07 C HETATM 1737 H ASP A 59 6.037 -7.580 -6.641 1.00 0.05 H HETATM 1738 H ASP A 59 6.790 -5.238 -6.857 1.00 0.05 H HETATM 1739 OH ASP A 59 9.268 -4.456 -6.833 1.00 -0.34 O HETATM 1740 H ASP A 59 8.904 -3.950 -6.116 1.00 0.25 H HETATM 1741 H ASP A 59 10.856 -6.529 -6.572 1.00 0.05 H HETATM 1742 H ASP A 59 10.096 -8.873 -6.374 1.00 0.05 H HETATM 1743 H ASP A 59 6.609 -9.946 -6.954 1.00 0.05 H HETATM 1744 H ASP A 59 8.314 -10.489 -6.801 1.00 0.05 H HETATM 1745 H ASP A 59 6.483 -9.598 -4.535 1.00 0.08 H HETATM 1746 H ASP A 59 9.319 -10.486 -4.325 1.00 0.19 H HETATM 1747 CB ASP A 59 10.075 -7.311 -2.581 1.00 -0.01 C HETATM 1748 CG ASP A 59 11.358 -6.769 -1.932 1.00 -0.04 C HETATM 1749 CD1 ASP A 59 11.481 -5.247 -2.070 1.00 -0.06 C HETATM 1750 H ASP A 59 12.412 -4.910 -1.591 1.00 0.02 H HETATM 1751 H ASP A 59 10.622 -4.764 -1.582 1.00 0.02 H HETATM 1752 H ASP A 59 11.497 -4.976 -3.136 1.00 0.02 H HETATM 1753 CD2 ASP A 59 11.410 -7.168 -0.483 1.00 -0.06 C HETATM 1754 H ASP A 59 11.321 -8.261 -0.400 1.00 0.02 H HETATM 1755 H ASP A 59 10.580 -6.690 0.059 1.00 0.02 H HETATM 1756 H ASP A 59 12.367 -6.844 -0.048 1.00 0.02 H HETATM 1757 H ASP A 59 12.216 -7.225 -2.447 1.00 0.03 H HETATM 1758 H ASP A 59 9.234 -6.725 -2.183 1.00 0.03 H HETATM 1759 H ASP A 59 10.159 -7.142 -3.665 1.00 0.03 H HETATM 1760 H ASP A 59 9.551 -8.962 -1.301 1.00 0.08 H HETATM 1761 H ASP A 59 11.444 -9.364 -3.529 1.00 0.19 H HETATM 1762 CB ASP A 59 12.454 -12.336 -3.500 1.00 0.06 C HETATM 1763 CG ASP A 59 12.067 -11.679 -4.813 1.00 0.04 C HETATM 1764 OD1 ASP A 59 12.969 -11.191 -5.541 1.00 -0.57 O HETATM 1765 OD2 ASP A 59 10.849 -11.602 -5.087 1.00 -0.57 O HETATM 1766 H ASP A 59 11.669 -13.053 -3.218 1.00 0.05 H HETATM 1767 H ASP A 59 13.406 -12.870 -3.638 1.00 0.05 H HETATM 1768 H ASP A 59 13.282 -10.518 -2.729 1.00 0.11 H HETATM 1769 H ASP A 59 14.131 -12.328 -1.458 1.00 0.20 H HETATM 1770 H ASP A 59 12.643 -12.653 -0.836 1.00 0.20 H HETATM 1771 H ASP A 59 13.385 -11.225 -0.490 1.00 0.20 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 1710 1711 1769 1770 1771 CONECT 1711 1710 1712 1762 1768 CONECT 1712 1711 1713 1714 CONECT 1713 1712 CONECT 1714 1712 1715 1761 CONECT 1715 1714 1716 1747 1760 CONECT 1716 1715 1717 1718 CONECT 1717 1716 CONECT 1718 1716 1719 1746 CONECT 1719 1718 1720 1730 1745 CONECT 1720 1719 1721 1722 CONECT 1721 1720 CONECT 1722 1720 1723 1729 CONECT 1723 1722 1724 1727 1728 CONECT 1724 1723 1725 1726 CONECT 1725 1724 CONECT 1726 1724 CONECT 1727 1723 CONECT 1728 1723 CONECT 1729 1722 CONECT 1730 1719 1731 1743 1744 CONECT 1731 1730 1732 1736 CONECT 1732 1731 1733 1742 CONECT 1733 1732 1734 1741 CONECT 1734 1733 1735 1739 CONECT 1735 1734 1736 1738 CONECT 1736 1731 1735 1737 CONECT 1737 1736 CONECT 1738 1735 CONECT 1739 1734 1740 CONECT 1740 1739 CONECT 1741 1733 CONECT 1742 1732 CONECT 1743 1730 CONECT 1744 1730 CONECT 1745 1719 CONECT 1746 1718 CONECT 1747 1715 1748 1758 1759 CONECT 1748 1747 1749 1753 1757 CONECT 1749 1748 1750 1751 1752 CONECT 1750 1749 CONECT 1751 1749 CONECT 1752 1749 CONECT 1753 1748 1754 1755 1756 CONECT 1754 1753 CONECT 1755 1753 CONECT 1756 1753 CONECT 1757 1748 CONECT 1758 1747 CONECT 1759 1747 CONECT 1760 1715 CONECT 1761 1714 CONECT 1762 1711 1763 1766 1767 CONECT 1763 1762 1764 1765 CONECT 1764 1763 CONECT 1765 1763 CONECT 1766 1762 CONECT 1767 1762 CONECT 1768 1711 CONECT 1769 1710 CONECT 1770 1710 CONECT 1771 1710 MASTER 0 0 0 0 0 0 0 0 1770 1 66 14 END
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4p0b
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184aa, >4P0B_1|Chains... at 100%
Complexes with the same small molecule ligand
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PDBbind
10-mer
4e9d
RCSB PDB
PDBbind
10-mer
4er4
RCSB PDB
PDBbind
10-mer
4h39
RCSB PDB
PDBbind
10-mer
4h3b
RCSB PDB
PDBbind
10-mer
4hcz
RCSB PDB
PDBbind
10-mer
4i2w
RCSB PDB
PDBbind
10-mer
4i2z
RCSB PDB
PDBbind
10-mer
4jfd
RCSB PDB
PDBbind
10-mer
4jfe
RCSB PDB
PDBbind
10-mer
4jff
RCSB PDB
PDBbind
10-mer
4jjq
RCSB PDB
PDBbind
10-mer
4joe
RCSB PDB
PDBbind
10-mer
4jof
RCSB PDB
PDBbind
10-mer
4jog
RCSB PDB
PDBbind
10-mer
4joh
RCSB PDB
PDBbind
10-mer
4joj
RCSB PDB
PDBbind
10-mer
4jok
RCSB PDB
PDBbind
10-mer
4k6y
RCSB PDB
PDBbind
10-mer
4k72
RCSB PDB
PDBbind
10-mer
4k75
RCSB PDB
PDBbind
10-mer
4k76
RCSB PDB
PDBbind
10-mer
4k78
RCSB PDB
PDBbind
10-mer
4lnp
RCSB PDB
PDBbind
10-mer
4mdr
RCSB PDB
PDBbind
10-mer
4n84
RCSB PDB
PDBbind
10-mer
4nmo
RCSB PDB
PDBbind
10-mer
4nmp
RCSB PDB
PDBbind
10-mer
4nmq
RCSB PDB
PDBbind
10-mer
4nmr
RCSB PDB
PDBbind
10-mer
4nms
RCSB PDB
PDBbind
10-mer
4nmt
RCSB PDB
PDBbind
10-mer
4nmv
RCSB PDB
PDBbind
10-mer
4o2c
RCSB PDB
PDBbind
10-mer
4oz1
RCSB PDB
PDBbind
10-mer
4p0b
RCSB PDB
PDBbind
10-mer
4qok
RCSB PDB
PDBbind
10-mer
4rqz
RCSB PDB
PDBbind
10-mer
4u90
RCSB PDB
PDBbind
10-mer
4v11
RCSB PDB
PDBbind
10-mer
4wj5
RCSB PDB
PDBbind
10-mer
4x1n
RCSB PDB
PDBbind
10-mer
4x1p
RCSB PDB
PDBbind
10-mer
4x1q
RCSB PDB
PDBbind
10-mer
4x1r
RCSB PDB
PDBbind
10-mer
4x1s
RCSB PDB
PDBbind
10-mer
4x34
RCSB PDB
PDBbind
10-mer
4x3s
RCSB PDB
PDBbind
10-mer
4x8n
RCSB PDB
PDBbind
10-mer
4xhv
RCSB PDB
PDBbind
10-mer
4z0u
RCSB PDB
PDBbind
10-mer
4z7i
RCSB PDB
PDBbind
10-mer
4zhl
RCSB PDB
PDBbind
10-mer
4zhm
RCSB PDB
PDBbind
10-mer
5ab0
RCSB PDB
PDBbind
10-mer
5aei
RCSB PDB
PDBbind
10-mer
5azg
RCSB PDB
PDBbind
10-mer
5c0m
RCSB PDB
PDBbind
10-mer
5c11
RCSB PDB
PDBbind
10-mer
5c13
RCSB PDB
PDBbind
10-mer
5d6y
RCSB PDB
PDBbind
10-mer
5gp7
RCSB PDB
PDBbind
10-mer
5gs4
RCSB PDB
PDBbind
10-mer
5gtr
RCSB PDB
PDBbind
10-mer
5iaw
RCSB PDB
PDBbind
10-mer
5j31
RCSB PDB
PDBbind
10-mer
5jzi
RCSB PDB
PDBbind
10-mer
5myo
RCSB PDB
PDBbind
10-mer
5n1y
RCSB PDB
PDBbind
10-mer
5nx2
RCSB PDB
PDBbind
10-mer
5t6z
RCSB PDB
PDBbind
10-mer
5t70
RCSB PDB
PDBbind
10-mer
5t8r
RCSB PDB
PDBbind
10-mer
5vnb
RCSB PDB
PDBbind
10-mer
5w7i
RCSB PDB
PDBbind
10-mer
5w7j
RCSB PDB
PDBbind
10-mer
5wkf
RCSB PDB
PDBbind
10-mer
5wkh
RCSB PDB
PDBbind
10-mer
6ar2
RCSB PDB
PDBbind
10-mer
6buu
RCSB PDB
PDBbind
10-mer
6fkp
RCSB PDB
PDBbind
10-mer
6mim
RCSB PDB
PDBbind
10-mer
6qtx
RCSB PDB
PDBbind
10-mer
6pek
RCSB PDB
PDBbind
10-mer
6iiw
RCSB PDB
PDBbind
10-mer
6hzx
RCSB PDB
PDBbind
10-mer
6hoi
RCSB PDB
PDBbind
10-mer
6dkp
RCSB PDB
PDBbind
10-mer
6a8n
RCSB PDB
PDBbind
10-mer
5zys
RCSB PDB
PDBbind
10-mer
Entry Information
PDB ID
4p0a
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
E3 ubiquitin-protein ligase RNF31 HOIP PUB Domain
Ligand Name
10-mer
EC.Number
E.C.6.3.2
Resolution
2.3(Å)
Affinity (Kd/Ki/IC50)
Kd=30.3uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) Mol.Cell Vol. 54: pp. 349-361
Ligand Properties
Formula
C
2
1
H
3
1
N
4
O
8
Molecular Weight
467.493
Exact Mass
467.214
No. of atoms
64
No. of bonds
64
Polar Surface Area
209.77
LOGP Value
-0.15 (
Computed with XLOGP3
)
-0.59 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 15
No. of Nitrogen and Oxygen Atoms: 12
No. of Rings: 1
Canonical SMILES
CC(C[C@@H](C(=O)N[C@H](C(=O)NCC(=O)O)Cc1ccc(cc1)O)NC(=O)[C@H](CC(=O)O)[NH3+])C
InChI String
InChI=1S/C21H30N4O8/c1-11(2)7-15(24-19(31)14(22)9-17(27)28)21(33)25-16(20(32)23-10-18(29)30)8-12-3-5-13(26)6-4-12/h3-6,11,14-16,26H,7-10,22H2,1-2H3,(H,23,32)(H,24,31)(H,25,33)(H,27,28)(H,29,30)/p+1/t14-,15-,16-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P55072
Q96EP0
Entrez Gene ID
NCBI Entrez Gene ID:
7415
55072
ASD
Information of known allosteric effects of PDB entries
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