Browse entries in the PDBbind-CN Database
HEADER 1EWJ_COMPLEX COMPND 1EWJ_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 119 THR ASP GLN ALA THR PRO ASN LEU PRO SER ARG ASP PHE SEQRES 2 A 119 ASP SER THR ALA ALA PHE TYR GLU ARG LEU GLY PHE GLY SEQRES 3 A 119 ILE VAL PHE ARG ASP ALA GLY TRP MET ILE LEU GLN ARG SEQRES 4 A 119 GLY ASP LEU MET LEU GLU PHE PHE ALA HIS PRO GLY LEU SEQRES 5 A 119 ASP PRO LEU ALA SER TRP PHE SER CYS CYS LEU ARG LEU SEQRES 6 A 119 ASP ASP LEU ALA GLU PHE TYR ARG GLN CYS LYS SER VAL SEQRES 7 A 119 GLY ILE GLN GLU THR SER SER GLY TYR PRO ARG ILE HIS SEQRES 8 A 119 ALA PRO GLU LEU GLN GLU TRP GLY GLY THR MET ALA ALA SEQRES 9 A 119 LEU VAL ASP PRO ASP GLY THR LEU LEU ARG LEU ILE GLN SEQRES 10 A 119 ASN GLU SEQRES 1 B 119 THR ASP GLN ALA THR PRO ASN LEU PRO SER ARG ASP PHE SEQRES 2 B 119 ASP SER THR ALA ALA PHE TYR GLU ARG LEU GLY PHE GLY SEQRES 3 B 119 ILE VAL PHE ARG ASP ALA GLY TRP MET ILE LEU GLN ARG SEQRES 4 B 119 GLY ASP LEU MET LEU GLU PHE PHE ALA HIS PRO GLY LEU SEQRES 5 B 119 ASP PRO LEU ALA SER TRP PHE SER CYS CYS LEU ARG LEU SEQRES 6 B 119 ASP ASP LEU ALA GLU PHE TYR ARG GLN CYS LYS SER VAL SEQRES 7 B 119 GLY ILE GLN GLU THR SER SER GLY TYR PRO ARG ILE HIS SEQRES 8 B 119 ALA PRO GLU LEU GLN GLU TRP GLY GLY THR MET ALA ALA SEQRES 9 B 119 LEU VAL ASP PRO ASP GLY THR LEU LEU ARG LEU ILE GLN SEQRES 10 B 119 ASN GLU HET BLM A 251 182 ATOM 1 N THR A 2 23.359 -13.812 14.941 1.00 28.58 N ATOM 2 CA THR A 2 22.923 -13.516 16.335 1.00 29.53 C ATOM 3 C THR A 2 22.739 -12.020 16.552 1.00 28.84 C ATOM 4 O THR A 2 23.165 -11.214 15.728 1.00 29.06 O ATOM 5 CB THR A 2 23.946 -14.034 17.365 1.00 26.40 C ATOM 6 OG1 THR A 2 25.245 -14.083 16.772 1.00 24.30 O ATOM 7 CG2 THR A 2 23.575 -15.422 17.827 1.00 30.51 C ATOM 8 HA THR A 2 21.970 -14.026 16.477 1.00 0.00 H ATOM 9 HB THR A 2 23.946 -13.356 18.218 1.00 0.00 H ATOM 10 HG1 THR A 2 25.898 -14.416 17.437 1.00 0.00 H ATOM 11 HG23 THR A 2 22.585 -15.400 18.282 1.00 0.00 H ATOM 12 HG21 THR A 2 23.568 -16.098 16.972 1.00 0.00 H ATOM 13 HG22 THR A 2 24.305 -15.767 18.559 1.00 0.00 H ATOM 14 HN3 THR A 2 24.265 -13.336 14.754 1.00 0.00 H ATOM 15 HN2 THR A 2 22.640 -13.466 14.274 1.00 0.00 H ATOM 16 HN1 THR A 2 23.475 -14.839 14.826 1.00 0.00 H ATOM 17 N ASP A 3 22.103 -11.668 17.671 1.00 34.09 N ATOM 18 CA ASP A 3 21.840 -10.278 18.038 1.00 31.41 C ATOM 19 C ASP A 3 23.150 -9.578 18.326 1.00 32.43 C ATOM 20 O ASP A 3 24.095 -10.201 18.818 1.00 39.14 O ATOM 21 CB ASP A 3 20.958 -10.213 19.288 1.00 24.13 C ATOM 22 CG ASP A 3 19.489 -10.443 18.978 1.00 36.95 C ATOM 23 OD1 ASP A 3 19.197 -11.074 17.938 1.00 29.70 O ATOM 24 OD2 ASP A 3 18.628 -9.995 19.774 1.00 35.16 O ATOM 25 HA ASP A 3 21.325 -9.790 17.210 1.00 0.00 H ATOM 26 HB2 ASP A 3 21.291 -10.977 19.991 1.00 0.00 H ATOM 27 HB3 ASP A 3 21.069 -9.229 19.743 1.00 0.00 H ATOM 28 H ASP A 3 21.779 -12.419 18.313 1.00 0.00 H ATOM 29 N GLN A 4 23.212 -8.287 18.022 1.00 29.60 N ATOM 30 CA GLN A 4 24.425 -7.522 18.274 1.00 27.59 C ATOM 31 C GLN A 4 24.320 -6.087 17.777 1.00 23.39 C ATOM 32 O GLN A 4 23.796 -5.834 16.695 1.00 23.04 O ATOM 33 CB GLN A 4 25.623 -8.220 17.629 1.00 32.80 C ATOM 34 CG GLN A 4 26.154 -7.556 16.383 1.00 35.74 C ATOM 35 CD GLN A 4 27.514 -8.081 16.015 1.00 43.49 C ATOM 36 OE1 GLN A 4 27.800 -9.266 16.195 1.00 48.11 O ATOM 37 NE2 GLN A 4 28.369 -7.204 15.500 1.00 45.30 N ATOM 38 HA GLN A 4 24.564 -7.476 19.354 1.00 0.00 H ATOM 39 HB2 GLN A 4 26.429 -8.256 18.362 1.00 0.00 H ATOM 40 HB3 GLN A 4 25.323 -9.235 17.370 1.00 0.00 H ATOM 41 HG2 GLN A 4 25.466 -7.746 15.559 1.00 0.00 H ATOM 42 HG3 GLN A 4 26.224 -6.482 16.556 1.00 0.00 H ATOM 43 HE22 GLN A 4 28.081 -6.214 15.367 1.00 0.00 H ATOM 44 HE21 GLN A 4 29.326 -7.508 15.230 1.00 0.00 H ATOM 45 H GLN A 4 22.386 -7.817 17.600 1.00 0.00 H ATOM 46 N ALA A 5 24.842 -5.164 18.580 1.00 18.90 N ATOM 47 CA ALA A 5 24.819 -3.736 18.286 1.00 20.52 C ATOM 48 C ALA A 5 26.153 -3.251 17.760 1.00 23.45 C ATOM 49 O ALA A 5 27.198 -3.499 18.361 1.00 28.87 O ATOM 50 CB ALA A 5 24.459 -2.961 19.538 1.00 21.84 C ATOM 51 HA ALA A 5 24.069 -3.568 17.513 1.00 0.00 H ATOM 52 HB1 ALA A 5 23.475 -3.274 19.887 1.00 0.00 H ATOM 53 HB2 ALA A 5 25.201 -3.159 20.312 1.00 0.00 H ATOM 54 HB3 ALA A 5 24.443 -1.895 19.312 1.00 0.00 H ATOM 55 H ALA A 5 25.290 -5.477 19.464 1.00 0.00 H ATOM 56 N THR A 6 26.117 -2.551 16.634 1.00 25.33 N ATOM 57 CA THR A 6 27.334 -2.032 16.027 1.00 18.22 C ATOM 58 C THR A 6 27.275 -0.526 16.113 1.00 13.53 C ATOM 59 O THR A 6 26.195 0.053 16.163 1.00 14.08 O ATOM 60 CB THR A 6 27.442 -2.424 14.560 1.00 15.04 C ATOM 61 OG1 THR A 6 26.432 -1.729 13.819 1.00 21.93 O ATOM 62 CG2 THR A 6 27.264 -3.932 14.394 1.00 11.07 C ATOM 63 HA THR A 6 28.196 -2.443 16.552 1.00 0.00 H ATOM 64 HB THR A 6 28.430 -2.153 14.186 1.00 0.00 H ATOM 65 HG1 THR A 6 26.495 -1.978 12.863 1.00 0.00 H ATOM 66 HG23 THR A 6 28.036 -4.452 14.961 1.00 0.00 H ATOM 67 HG21 THR A 6 26.281 -4.223 14.764 1.00 0.00 H ATOM 68 HG22 THR A 6 27.348 -4.193 13.339 1.00 0.00 H ATOM 69 H THR A 6 25.201 -2.369 16.176 1.00 0.00 H ATOM 70 N PRO A 7 28.439 0.129 16.131 1.00 8.31 N ATOM 71 CA PRO A 7 28.459 1.587 16.218 1.00 11.06 C ATOM 72 C PRO A 7 28.215 2.268 14.881 1.00 10.74 C ATOM 73 O PRO A 7 28.220 1.625 13.833 1.00 8.78 O ATOM 74 CB PRO A 7 29.850 1.901 16.773 1.00 13.97 C ATOM 75 CG PRO A 7 30.667 0.608 16.643 1.00 5.37 C ATOM 76 CD PRO A 7 29.789 -0.455 16.058 1.00 6.67 C ATOM 77 HA PRO A 7 27.654 1.965 16.849 1.00 0.00 H ATOM 78 HD3 PRO A 7 30.067 -0.664 15.025 1.00 0.00 H ATOM 79 HD2 PRO A 7 29.848 -1.373 16.642 1.00 0.00 H ATOM 80 HG3 PRO A 7 31.018 0.295 17.626 1.00 0.00 H ATOM 81 HG2 PRO A 7 31.523 0.778 15.990 1.00 0.00 H ATOM 82 HB2 PRO A 7 30.315 2.701 16.197 1.00 0.00 H ATOM 83 HB3 PRO A 7 29.781 2.201 17.819 1.00 0.00 H ATOM 84 N ASN A 8 27.983 3.572 14.938 1.00 8.85 N ATOM 85 CA ASN A 8 27.777 4.381 13.751 1.00 3.62 C ATOM 86 C ASN A 8 28.754 5.515 13.954 1.00 12.74 C ATOM 87 O ASN A 8 28.608 6.298 14.899 1.00 8.34 O ATOM 88 CB ASN A 8 26.353 4.928 13.692 1.00 8.82 C ATOM 89 CG ASN A 8 25.325 3.855 13.377 1.00 2.00 C ATOM 90 OD1 ASN A 8 24.143 3.982 13.709 1.00 17.83 O ATOM 91 ND2 ASN A 8 25.769 2.791 12.738 1.00 5.44 N ATOM 92 HA ASN A 8 27.923 3.823 12.826 1.00 0.00 H ATOM 93 HB2 ASN A 8 26.109 5.372 14.657 1.00 0.00 H ATOM 94 HB3 ASN A 8 26.305 5.695 12.919 1.00 0.00 H ATOM 95 HD22 ASN A 8 26.773 2.723 12.476 1.00 0.00 H ATOM 96 HD21 ASN A 8 25.115 2.019 12.496 1.00 0.00 H ATOM 97 H ASN A 8 27.947 4.033 15.870 1.00 0.00 H ATOM 98 N LEU A 9 29.768 5.577 13.089 1.00 15.86 N ATOM 99 CA LEU A 9 30.793 6.611 13.171 1.00 11.26 C ATOM 100 C LEU A 9 30.783 7.490 11.933 1.00 12.28 C ATOM 101 O LEU A 9 30.502 7.016 10.827 1.00 18.06 O ATOM 102 CB LEU A 9 32.172 5.980 13.320 1.00 17.29 C ATOM 103 CG LEU A 9 32.361 4.944 14.420 1.00 11.43 C ATOM 104 CD1 LEU A 9 33.734 4.330 14.243 1.00 2.00 C ATOM 105 CD2 LEU A 9 32.189 5.592 15.799 1.00 2.00 C ATOM 106 HA LEU A 9 30.572 7.225 14.044 1.00 0.00 H ATOM 107 HB2 LEU A 9 32.414 5.498 12.373 1.00 0.00 H ATOM 108 HB3 LEU A 9 32.881 6.787 13.507 1.00 0.00 H ATOM 109 HG LEU A 9 31.607 4.160 14.352 1.00 0.00 H ATOM 110 HD21 LEU A 9 32.930 6.382 15.923 1.00 0.00 H ATOM 111 HD22 LEU A 9 31.188 6.016 15.878 1.00 0.00 H ATOM 112 HD23 LEU A 9 32.327 4.837 16.573 1.00 0.00 H ATOM 113 HD11 LEU A 9 33.796 3.858 13.262 1.00 0.00 H ATOM 114 HD12 LEU A 9 34.492 5.109 14.321 1.00 0.00 H ATOM 115 HD13 LEU A 9 33.899 3.582 15.019 1.00 0.00 H ATOM 116 H LEU A 9 29.829 4.866 12.333 1.00 0.00 H ATOM 117 N PRO A 10 31.117 8.779 12.103 1.00 8.39 N ATOM 118 CA PRO A 10 31.154 9.774 11.032 1.00 10.15 C ATOM 119 C PRO A 10 32.388 9.725 10.146 1.00 16.70 C ATOM 120 O PRO A 10 33.492 9.440 10.615 1.00 13.64 O ATOM 121 CB PRO A 10 31.076 11.088 11.789 1.00 18.15 C ATOM 122 CG PRO A 10 31.825 10.795 13.053 1.00 13.51 C ATOM 123 CD PRO A 10 31.489 9.373 13.403 1.00 2.00 C ATOM 124 HA PRO A 10 30.346 9.606 10.320 1.00 0.00 H ATOM 125 HD3 PRO A 10 32.351 8.863 13.833 1.00 0.00 H ATOM 126 HD2 PRO A 10 30.656 9.330 14.104 1.00 0.00 H ATOM 127 HG3 PRO A 10 31.507 11.468 13.849 1.00 0.00 H ATOM 128 HG2 PRO A 10 32.898 10.904 12.894 1.00 0.00 H ATOM 129 HB2 PRO A 10 31.553 11.892 11.228 1.00 0.00 H ATOM 130 HB3 PRO A 10 30.041 11.358 12.000 1.00 0.00 H ATOM 131 N SER A 11 32.194 10.034 8.864 1.00 21.75 N ATOM 132 CA SER A 11 33.291 10.053 7.898 1.00 18.77 C ATOM 133 C SER A 11 33.192 11.268 6.980 1.00 20.50 C ATOM 134 O SER A 11 32.163 11.484 6.341 1.00 16.07 O ATOM 135 CB SER A 11 33.276 8.787 7.049 1.00 20.29 C ATOM 136 OG SER A 11 34.185 8.907 5.967 1.00 26.35 O ATOM 137 HA SER A 11 34.223 10.106 8.460 1.00 0.00 H ATOM 138 HB2 SER A 11 32.271 8.628 6.658 1.00 0.00 H ATOM 139 HB3 SER A 11 33.563 7.936 7.667 1.00 0.00 H ATOM 140 HG SER A 11 35.099 9.049 6.320 1.00 0.00 H ATOM 141 H SER A 11 31.234 10.269 8.541 1.00 0.00 H ATOM 142 N ARG A 12 34.263 12.055 6.910 1.00 20.50 N ATOM 143 CA ARG A 12 34.276 13.242 6.060 1.00 21.07 C ATOM 144 C ARG A 12 34.606 12.876 4.623 1.00 25.03 C ATOM 145 O ARG A 12 34.554 13.725 3.745 1.00 32.65 O ATOM 146 CB ARG A 12 35.306 14.255 6.557 1.00 22.66 C ATOM 147 CG ARG A 12 34.771 15.326 7.499 1.00 22.85 C ATOM 148 CD ARG A 12 35.929 16.093 8.112 1.00 33.45 C ATOM 149 NE ARG A 12 37.144 15.274 8.157 1.00 42.88 N ATOM 150 CZ ARG A 12 38.387 15.750 8.129 1.00 42.47 C ATOM 151 NH1 ARG A 12 38.605 17.056 8.055 1.00 41.61 N ATOM 152 NH2 ARG A 12 39.419 14.913 8.177 1.00 51.47 N ATOM 153 HA ARG A 12 33.280 13.683 6.103 1.00 0.00 H ATOM 154 HB2 ARG A 12 36.090 13.708 7.081 1.00 0.00 H ATOM 155 HB3 ARG A 12 35.732 14.755 5.687 1.00 0.00 H ATOM 156 HG2 ARG A 12 34.135 16.014 6.942 1.00 0.00 H ATOM 157 HG3 ARG A 12 34.189 14.855 8.291 1.00 0.00 H ATOM 158 HD2 ARG A 12 35.662 16.389 9.126 1.00 0.00 H ATOM 159 HD3 ARG A 12 36.122 16.983 7.514 1.00 0.00 H ATOM 160 HE ARG A 12 37.026 14.242 8.215 1.00 0.00 H ATOM 161 HH12 ARG A 12 39.579 17.420 8.034 1.00 0.00 H ATOM 162 HH11 ARG A 12 37.802 17.716 8.018 1.00 0.00 H ATOM 163 HH22 ARG A 12 40.391 15.284 8.155 1.00 0.00 H ATOM 164 HH21 ARG A 12 39.255 13.888 8.236 1.00 0.00 H ATOM 165 H ARG A 12 35.106 11.820 7.471 1.00 0.00 H ATOM 166 N ASP A 13 34.960 11.615 4.388 1.00 27.51 N ATOM 167 CA ASP A 13 35.299 11.133 3.048 1.00 16.96 C ATOM 168 C ASP A 13 35.405 9.609 3.110 1.00 17.85 C ATOM 169 O ASP A 13 36.375 9.055 3.644 1.00 15.14 O ATOM 170 CB ASP A 13 36.622 11.755 2.588 1.00 17.32 C ATOM 171 CG ASP A 13 37.168 11.124 1.310 1.00 21.35 C ATOM 172 OD1 ASP A 13 36.470 10.305 0.685 1.00 28.40 O ATOM 173 OD2 ASP A 13 38.306 11.453 0.924 1.00 12.99 O ATOM 174 HA ASP A 13 34.531 11.420 2.330 1.00 0.00 H ATOM 175 HB2 ASP A 13 36.462 12.818 2.409 1.00 0.00 H ATOM 176 HB3 ASP A 13 37.360 11.628 3.380 1.00 0.00 H ATOM 177 H ASP A 13 34.997 10.948 5.185 1.00 0.00 H ATOM 178 N PHE A 14 34.393 8.938 2.567 1.00 12.58 N ATOM 179 CA PHE A 14 34.351 7.488 2.577 1.00 14.62 C ATOM 180 C PHE A 14 35.605 6.844 2.008 1.00 21.33 C ATOM 181 O PHE A 14 36.029 5.789 2.477 1.00 32.37 O ATOM 182 CB PHE A 14 33.121 7.000 1.817 1.00 15.70 C ATOM 183 CG PHE A 14 31.831 7.175 2.579 1.00 17.58 C ATOM 184 CD1 PHE A 14 30.609 6.943 1.964 1.00 9.93 C ATOM 185 CD2 PHE A 14 31.844 7.567 3.915 1.00 12.73 C ATOM 186 CE1 PHE A 14 29.425 7.096 2.660 1.00 16.16 C ATOM 187 CE2 PHE A 14 30.665 7.726 4.621 1.00 5.92 C ATOM 188 CZ PHE A 14 29.451 7.488 3.993 1.00 25.09 C ATOM 189 HA PHE A 14 34.294 7.184 3.622 1.00 0.00 H ATOM 190 HB2 PHE A 14 33.049 7.558 0.884 1.00 0.00 H ATOM 191 HB3 PHE A 14 33.250 5.940 1.596 1.00 0.00 H ATOM 192 HD2 PHE A 14 32.797 7.751 4.412 1.00 0.00 H ATOM 193 HE2 PHE A 14 30.690 8.037 5.665 1.00 0.00 H ATOM 194 HZ PHE A 14 28.519 7.608 4.545 1.00 0.00 H ATOM 195 HE1 PHE A 14 28.472 6.910 2.164 1.00 0.00 H ATOM 196 HD1 PHE A 14 30.583 6.636 0.918 1.00 0.00 H ATOM 197 H PHE A 14 33.613 9.465 2.125 1.00 0.00 H ATOM 198 N ASP A 15 36.204 7.476 1.004 1.00 23.19 N ATOM 199 CA ASP A 15 37.408 6.934 0.389 1.00 22.60 C ATOM 200 C ASP A 15 38.522 6.838 1.413 1.00 20.59 C ATOM 201 O ASP A 15 39.014 5.746 1.679 1.00 25.79 O ATOM 202 CB ASP A 15 37.846 7.803 -0.791 1.00 29.77 C ATOM 203 CG ASP A 15 36.872 7.731 -1.955 1.00 34.75 C ATOM 204 OD1 ASP A 15 36.418 6.608 -2.293 1.00 34.81 O ATOM 205 OD2 ASP A 15 36.560 8.799 -2.526 1.00 29.67 O ATOM 206 HA ASP A 15 37.186 5.934 0.017 1.00 0.00 H ATOM 207 HB2 ASP A 15 37.917 8.838 -0.457 1.00 0.00 H ATOM 208 HB3 ASP A 15 38.825 7.465 -1.131 1.00 0.00 H ATOM 209 H ASP A 15 35.807 8.371 0.652 1.00 0.00 H ATOM 210 N SER A 16 38.920 7.971 1.987 1.00 14.99 N ATOM 211 CA SER A 16 39.972 7.967 3.000 1.00 12.27 C ATOM 212 C SER A 16 39.625 6.962 4.093 1.00 16.94 C ATOM 213 O SER A 16 40.396 6.043 4.368 1.00 22.12 O ATOM 214 CB SER A 16 40.122 9.346 3.623 1.00 2.85 C ATOM 215 OG SER A 16 39.858 10.350 2.666 1.00 17.90 O ATOM 216 HA SER A 16 40.911 7.690 2.521 1.00 0.00 H ATOM 217 HB2 SER A 16 41.140 9.463 3.996 1.00 0.00 H ATOM 218 HB3 SER A 16 39.420 9.445 4.451 1.00 0.00 H ATOM 219 HG SER A 16 38.933 10.247 2.328 1.00 0.00 H ATOM 220 H SER A 16 38.476 8.870 1.711 1.00 0.00 H ATOM 221 N THR A 17 38.459 7.136 4.712 1.00 15.94 N ATOM 222 CA THR A 17 38.019 6.236 5.768 1.00 14.28 C ATOM 223 C THR A 17 38.246 4.793 5.352 1.00 19.84 C ATOM 224 O THR A 17 38.962 4.046 6.009 1.00 22.36 O ATOM 225 CB THR A 17 36.517 6.392 6.067 1.00 15.59 C ATOM 226 OG1 THR A 17 36.252 7.712 6.546 1.00 15.13 O ATOM 227 CG2 THR A 17 36.080 5.386 7.119 1.00 14.99 C ATOM 228 HA THR A 17 38.597 6.490 6.656 1.00 0.00 H ATOM 229 HB THR A 17 35.961 6.215 5.146 1.00 0.00 H ATOM 230 HG1 THR A 17 35.285 7.805 6.736 1.00 0.00 H ATOM 231 HG23 THR A 17 36.280 4.376 6.760 1.00 0.00 H ATOM 232 HG21 THR A 17 36.635 5.561 8.040 1.00 0.00 H ATOM 233 HG22 THR A 17 35.013 5.501 7.309 1.00 0.00 H ATOM 234 H THR A 17 37.850 7.932 4.435 1.00 0.00 H ATOM 235 N ALA A 18 37.619 4.411 4.248 1.00 23.70 N ATOM 236 CA ALA A 18 37.729 3.058 3.727 1.00 21.25 C ATOM 237 C ALA A 18 39.175 2.632 3.520 1.00 19.85 C ATOM 238 O ALA A 18 39.543 1.500 3.830 1.00 21.30 O ATOM 239 CB ALA A 18 36.966 2.955 2.423 1.00 23.05 C ATOM 240 HA ALA A 18 37.299 2.383 4.467 1.00 0.00 H ATOM 241 HB1 ALA A 18 35.917 3.193 2.598 1.00 0.00 H ATOM 242 HB2 ALA A 18 37.384 3.657 1.702 1.00 0.00 H ATOM 243 HB3 ALA A 18 37.049 1.940 2.034 1.00 0.00 H ATOM 244 H ALA A 18 37.030 5.101 3.739 1.00 0.00 H ATOM 245 N ALA A 19 39.988 3.544 2.997 1.00 17.52 N ATOM 246 CA ALA A 19 41.397 3.266 2.732 1.00 17.82 C ATOM 247 C ALA A 19 42.140 2.953 4.020 1.00 20.24 C ATOM 248 O ALA A 19 42.841 1.940 4.118 1.00 9.99 O ATOM 249 CB ALA A 19 42.036 4.468 2.039 1.00 18.21 C ATOM 250 HA ALA A 19 41.462 2.394 2.081 1.00 0.00 H ATOM 251 HB1 ALA A 19 41.521 4.659 1.098 1.00 0.00 H ATOM 252 HB2 ALA A 19 41.954 5.343 2.684 1.00 0.00 H ATOM 253 HB3 ALA A 19 43.087 4.256 1.843 1.00 0.00 H ATOM 254 H ALA A 19 39.609 4.485 2.769 1.00 0.00 H ATOM 255 N PHE A 20 41.955 3.836 5.002 1.00 21.22 N ATOM 256 CA PHE A 20 42.591 3.744 6.311 1.00 18.57 C ATOM 257 C PHE A 20 42.276 2.494 7.130 1.00 18.81 C ATOM 258 O PHE A 20 43.109 2.023 7.898 1.00 14.56 O ATOM 259 CB PHE A 20 42.231 4.976 7.138 1.00 21.58 C ATOM 260 CG PHE A 20 42.709 4.902 8.550 1.00 18.61 C ATOM 261 CD1 PHE A 20 43.964 5.384 8.892 1.00 15.00 C ATOM 262 CD2 PHE A 20 41.931 4.296 9.531 1.00 24.60 C ATOM 263 CE1 PHE A 20 44.448 5.261 10.202 1.00 25.56 C ATOM 264 CE2 PHE A 20 42.402 4.163 10.848 1.00 22.46 C ATOM 265 CZ PHE A 20 43.663 4.646 11.184 1.00 20.87 C ATOM 266 HA PHE A 20 43.657 3.681 6.092 1.00 0.00 H ATOM 267 HB2 PHE A 20 42.678 5.851 6.667 1.00 0.00 H ATOM 268 HB3 PHE A 20 41.146 5.083 7.145 1.00 0.00 H ATOM 269 HD2 PHE A 20 40.941 3.919 9.274 1.00 0.00 H ATOM 270 HE2 PHE A 20 41.781 3.683 11.604 1.00 0.00 H ATOM 271 HZ PHE A 20 44.036 4.546 12.203 1.00 0.00 H ATOM 272 HE1 PHE A 20 45.436 5.645 10.456 1.00 0.00 H ATOM 273 HD1 PHE A 20 44.581 5.864 8.133 1.00 0.00 H ATOM 274 H PHE A 20 41.319 4.639 4.823 1.00 0.00 H ATOM 275 N TYR A 21 41.069 1.970 6.987 1.00 22.74 N ATOM 276 CA TYR A 21 40.668 0.786 7.740 1.00 28.15 C ATOM 277 C TYR A 21 40.961 -0.538 7.022 1.00 29.04 C ATOM 278 O TYR A 21 40.977 -1.611 7.637 1.00 25.11 O ATOM 279 CB TYR A 21 39.179 0.893 8.082 1.00 25.44 C ATOM 280 CG TYR A 21 38.896 1.900 9.181 1.00 23.28 C ATOM 281 CD1 TYR A 21 38.536 3.214 8.877 1.00 20.50 C ATOM 282 CD2 TYR A 21 38.993 1.537 10.522 1.00 20.56 C ATOM 283 CE1 TYR A 21 38.277 4.143 9.882 1.00 15.96 C ATOM 284 CE2 TYR A 21 38.737 2.455 11.535 1.00 20.68 C ATOM 285 CZ TYR A 21 38.376 3.756 11.211 1.00 20.03 C ATOM 286 OH TYR A 21 38.090 4.659 12.217 1.00 16.01 O ATOM 287 HA TYR A 21 41.272 0.764 8.647 1.00 0.00 H ATOM 288 HB3 TYR A 21 38.825 -0.085 8.407 1.00 0.00 H ATOM 289 HB2 TYR A 21 38.637 1.194 7.186 1.00 0.00 H ATOM 290 HD2 TYR A 21 39.274 0.517 10.782 1.00 0.00 H ATOM 291 HE2 TYR A 21 38.819 2.154 12.579 1.00 0.00 H ATOM 292 HE1 TYR A 21 37.999 5.166 9.627 1.00 0.00 H ATOM 293 HD1 TYR A 21 38.456 3.519 7.834 1.00 0.00 H ATOM 294 HH TYR A 21 37.853 5.533 11.817 1.00 0.00 H ATOM 295 H TYR A 21 40.395 2.409 6.327 1.00 0.00 H ATOM 296 N GLU A 22 41.192 -0.452 5.716 1.00 32.16 N ATOM 297 CA GLU A 22 41.493 -1.627 4.911 1.00 30.69 C ATOM 298 C GLU A 22 42.885 -2.121 5.272 1.00 26.16 C ATOM 299 O GLU A 22 43.169 -3.318 5.186 1.00 31.59 O ATOM 300 CB GLU A 22 41.433 -1.278 3.417 1.00 39.07 C ATOM 301 CG GLU A 22 40.363 -2.043 2.623 1.00 43.17 C ATOM 302 CD GLU A 22 39.779 -1.228 1.467 1.00 42.02 C ATOM 303 OE1 GLU A 22 38.541 -1.098 1.384 1.00 28.55 O ATOM 304 OE2 GLU A 22 40.559 -0.716 0.635 1.00 50.41 O ATOM 305 HA GLU A 22 40.758 -2.406 5.112 1.00 0.00 H ATOM 306 HB2 GLU A 22 41.227 -0.212 3.325 1.00 0.00 H ATOM 307 HB3 GLU A 22 42.406 -1.498 2.977 1.00 0.00 H ATOM 308 HG2 GLU A 22 40.813 -2.949 2.217 1.00 0.00 H ATOM 309 HG3 GLU A 22 39.554 -2.313 3.301 1.00 0.00 H ATOM 310 H GLU A 22 41.157 0.480 5.257 1.00 0.00 H ATOM 311 N ARG A 23 43.746 -1.192 5.682 1.00 18.27 N ATOM 312 CA ARG A 23 45.124 -1.507 6.064 1.00 18.08 C ATOM 313 C ARG A 23 45.210 -2.208 7.405 1.00 15.70 C ATOM 314 O ARG A 23 46.265 -2.697 7.793 1.00 17.53 O ATOM 315 CB ARG A 23 45.963 -0.230 6.138 1.00 20.93 C ATOM 316 CG ARG A 23 46.810 0.024 4.895 1.00 35.26 C ATOM 317 CD ARG A 23 46.934 1.503 4.623 1.00 42.56 C ATOM 318 NE ARG A 23 47.010 2.244 5.875 1.00 49.69 N ATOM 319 CZ ARG A 23 46.606 3.498 6.030 1.00 50.06 C ATOM 320 NH1 ARG A 23 46.723 4.079 7.216 1.00 52.09 N ATOM 321 NH2 ARG A 23 46.091 4.166 5.003 1.00 53.07 N ATOM 322 HA ARG A 23 45.508 -2.178 5.296 1.00 0.00 H ATOM 323 HB2 ARG A 23 45.290 0.616 6.274 1.00 0.00 H ATOM 324 HB3 ARG A 23 46.628 -0.305 6.998 1.00 0.00 H ATOM 325 HG2 ARG A 23 47.804 -0.396 5.048 1.00 0.00 H ATOM 326 HG3 ARG A 23 46.341 -0.459 4.038 1.00 0.00 H ATOM 327 HD2 ARG A 23 46.064 1.839 4.058 1.00 0.00 H ATOM 328 HD3 ARG A 23 47.837 1.687 4.041 1.00 0.00 H ATOM 329 HE ARG A 23 47.408 1.757 6.703 1.00 0.00 H ATOM 330 HH12 ARG A 23 46.409 5.062 7.347 1.00 0.00 H ATOM 331 HH11 ARG A 23 47.129 3.552 8.015 1.00 0.00 H ATOM 332 HH22 ARG A 23 45.775 5.149 5.128 1.00 0.00 H ATOM 333 HH21 ARG A 23 46.004 3.706 4.074 1.00 0.00 H ATOM 334 H ARG A 23 43.427 -0.203 5.733 1.00 0.00 H ATOM 335 N LEU A 24 44.103 -2.240 8.130 1.00 15.65 N ATOM 336 CA LEU A 24 44.098 -2.883 9.426 1.00 9.94 C ATOM 337 C LEU A 24 43.463 -4.275 9.356 1.00 13.40 C ATOM 338 O LEU A 24 43.519 -5.049 10.323 1.00 6.40 O ATOM 339 CB LEU A 24 43.391 -1.985 10.432 1.00 3.29 C ATOM 340 CG LEU A 24 44.119 -0.658 10.675 1.00 7.34 C ATOM 341 CD1 LEU A 24 43.389 0.207 11.714 1.00 2.00 C ATOM 342 CD2 LEU A 24 45.523 -0.966 11.144 1.00 14.68 C ATOM 343 HA LEU A 24 45.126 -3.030 9.756 1.00 0.00 H ATOM 344 HB2 LEU A 24 42.390 -1.768 10.059 1.00 0.00 H ATOM 345 HB3 LEU A 24 43.317 -2.518 11.380 1.00 0.00 H ATOM 346 HG LEU A 24 44.143 -0.089 9.745 1.00 0.00 H ATOM 347 HD21 LEU A 24 45.478 -1.543 12.068 1.00 0.00 H ATOM 348 HD22 LEU A 24 46.042 -1.543 10.379 1.00 0.00 H ATOM 349 HD23 LEU A 24 46.058 -0.033 11.323 1.00 0.00 H ATOM 350 HD11 LEU A 24 42.382 0.427 11.359 1.00 0.00 H ATOM 351 HD12 LEU A 24 43.333 -0.333 12.659 1.00 0.00 H ATOM 352 HD13 LEU A 24 43.936 1.139 11.858 1.00 0.00 H ATOM 353 H LEU A 24 43.233 -1.801 7.766 1.00 0.00 H ATOM 354 N GLY A 25 42.887 -4.594 8.196 1.00 14.39 N ATOM 355 CA GLY A 25 42.278 -5.893 8.006 1.00 10.96 C ATOM 356 C GLY A 25 40.818 -5.789 7.650 1.00 17.85 C ATOM 357 O GLY A 25 40.200 -6.783 7.278 1.00 23.57 O ATOM 358 HA3 GLY A 25 42.375 -6.465 8.929 1.00 0.00 H ATOM 359 HA2 GLY A 25 42.800 -6.412 7.202 1.00 0.00 H ATOM 360 H GLY A 25 42.875 -3.902 7.420 1.00 0.00 H ATOM 361 N PHE A 26 40.254 -4.590 7.767 1.00 22.60 N ATOM 362 CA PHE A 26 38.841 -4.387 7.446 1.00 16.75 C ATOM 363 C PHE A 26 38.623 -4.305 5.939 1.00 16.14 C ATOM 364 O PHE A 26 39.544 -4.009 5.175 1.00 2.74 O ATOM 365 CB PHE A 26 38.318 -3.108 8.102 1.00 25.49 C ATOM 366 CG PHE A 26 38.150 -3.212 9.587 1.00 21.11 C ATOM 367 CD1 PHE A 26 39.262 -3.270 10.425 1.00 29.64 C ATOM 368 CD2 PHE A 26 36.884 -3.264 10.147 1.00 23.26 C ATOM 369 CE1 PHE A 26 39.111 -3.384 11.803 1.00 25.56 C ATOM 370 CE2 PHE A 26 36.721 -3.377 11.520 1.00 19.61 C ATOM 371 CZ PHE A 26 37.839 -3.439 12.350 1.00 22.85 C ATOM 372 HA PHE A 26 38.292 -5.245 7.834 1.00 0.00 H ATOM 373 HB2 PHE A 26 39.021 -2.302 7.892 1.00 0.00 H ATOM 374 HB3 PHE A 26 37.350 -2.868 7.663 1.00 0.00 H ATOM 375 HD2 PHE A 26 36.007 -3.216 9.502 1.00 0.00 H ATOM 376 HE2 PHE A 26 35.720 -3.417 11.949 1.00 0.00 H ATOM 377 HZ PHE A 26 37.713 -3.531 13.429 1.00 0.00 H ATOM 378 HE1 PHE A 26 39.988 -3.430 12.449 1.00 0.00 H ATOM 379 HD1 PHE A 26 40.263 -3.225 9.995 1.00 0.00 H ATOM 380 H PHE A 26 40.826 -3.784 8.092 1.00 0.00 H ATOM 381 N GLY A 27 37.387 -4.561 5.523 1.00 17.19 N ATOM 382 CA GLY A 27 37.062 -4.528 4.114 1.00 13.18 C ATOM 383 C GLY A 27 35.682 -3.950 3.963 1.00 15.89 C ATOM 384 O GLY A 27 35.049 -3.626 4.966 1.00 17.37 O ATOM 385 HA3 GLY A 27 37.086 -5.538 3.706 1.00 0.00 H ATOM 386 HA2 GLY A 27 37.783 -3.906 3.583 1.00 0.00 H ATOM 387 H GLY A 27 36.646 -4.787 6.217 1.00 0.00 H ATOM 388 N ILE A 28 35.204 -3.832 2.727 1.00 16.13 N ATOM 389 CA ILE A 28 33.891 -3.255 2.487 1.00 17.54 C ATOM 390 C ILE A 28 32.785 -4.277 2.320 1.00 19.43 C ATOM 391 O ILE A 28 32.772 -5.062 1.375 1.00 18.51 O ATOM 392 CB ILE A 28 33.892 -2.333 1.245 1.00 15.63 C ATOM 393 CG1 ILE A 28 34.689 -1.067 1.534 1.00 10.43 C ATOM 394 CG2 ILE A 28 32.468 -1.929 0.892 1.00 17.91 C ATOM 395 CD1 ILE A 28 34.338 0.077 0.627 1.00 11.09 C ATOM 396 HA ILE A 28 33.681 -2.681 3.390 1.00 0.00 H ATOM 397 HB ILE A 28 34.343 -2.878 0.416 1.00 0.00 H ATOM 398 HG12 ILE A 28 34.496 -0.764 2.563 1.00 0.00 H ATOM 399 HG13 ILE A 28 35.749 -1.291 1.415 1.00 0.00 H ATOM 400 HD11 ILE A 28 34.535 -0.207 -0.407 1.00 0.00 H ATOM 401 HD12 ILE A 28 33.282 0.320 0.743 1.00 0.00 H ATOM 402 HD13 ILE A 28 34.943 0.945 0.889 1.00 0.00 H ATOM 403 HG21 ILE A 28 31.882 -2.822 0.675 1.00 0.00 H ATOM 404 HG22 ILE A 28 32.024 -1.397 1.733 1.00 0.00 H ATOM 405 HG23 ILE A 28 32.482 -1.280 0.016 1.00 0.00 H ATOM 406 H ILE A 28 35.777 -4.157 1.922 1.00 0.00 H ATOM 407 N VAL A 29 31.845 -4.240 3.253 1.00 23.60 N ATOM 408 CA VAL A 29 30.699 -5.132 3.227 1.00 23.49 C ATOM 409 C VAL A 29 29.589 -4.460 2.419 1.00 25.56 C ATOM 410 O VAL A 29 28.768 -5.135 1.799 1.00 30.25 O ATOM 411 CB VAL A 29 30.206 -5.412 4.655 1.00 21.40 C ATOM 412 CG1 VAL A 29 28.759 -5.892 4.639 1.00 16.03 C ATOM 413 CG2 VAL A 29 31.112 -6.430 5.308 1.00 11.63 C ATOM 414 HA VAL A 29 30.980 -6.081 2.771 1.00 0.00 H ATOM 415 HB VAL A 29 30.239 -4.490 5.236 1.00 0.00 H ATOM 416 HG11 VAL A 29 28.128 -5.124 4.191 1.00 0.00 H ATOM 417 HG12 VAL A 29 28.688 -6.809 4.054 1.00 0.00 H ATOM 418 HG13 VAL A 29 28.430 -6.084 5.660 1.00 0.00 H ATOM 419 HG21 VAL A 29 31.096 -7.353 4.729 1.00 0.00 H ATOM 420 HG22 VAL A 29 32.129 -6.040 5.343 1.00 0.00 H ATOM 421 HG23 VAL A 29 30.762 -6.629 6.321 1.00 0.00 H ATOM 422 H VAL A 29 31.930 -3.551 4.028 1.00 0.00 H ATOM 423 N PHE A 30 29.579 -3.128 2.425 1.00 19.49 N ATOM 424 CA PHE A 30 28.582 -2.357 1.690 1.00 16.53 C ATOM 425 C PHE A 30 29.022 -0.897 1.552 1.00 13.78 C ATOM 426 O PHE A 30 29.751 -0.386 2.398 1.00 8.35 O ATOM 427 CB PHE A 30 27.233 -2.427 2.421 1.00 20.16 C ATOM 428 CG PHE A 30 26.201 -1.464 1.890 1.00 19.02 C ATOM 429 CD1 PHE A 30 25.325 -1.851 0.875 1.00 15.18 C ATOM 430 CD2 PHE A 30 26.122 -0.167 2.385 1.00 5.06 C ATOM 431 CE1 PHE A 30 24.384 -0.952 0.354 1.00 11.65 C ATOM 432 CE2 PHE A 30 25.186 0.739 1.873 1.00 8.88 C ATOM 433 CZ PHE A 30 24.318 0.348 0.857 1.00 10.94 C ATOM 434 HA PHE A 30 28.478 -2.783 0.692 1.00 0.00 H ATOM 435 HB2 PHE A 30 26.841 -3.439 2.323 1.00 0.00 H ATOM 436 HB3 PHE A 30 27.401 -2.204 3.475 1.00 0.00 H ATOM 437 HD2 PHE A 30 26.797 0.148 3.181 1.00 0.00 H ATOM 438 HE2 PHE A 30 25.137 1.753 2.270 1.00 0.00 H ATOM 439 HZ PHE A 30 23.590 1.054 0.456 1.00 0.00 H ATOM 440 HE1 PHE A 30 23.707 -1.267 -0.440 1.00 0.00 H ATOM 441 HD1 PHE A 30 25.373 -2.866 0.482 1.00 0.00 H ATOM 442 H PHE A 30 30.305 -2.622 2.971 1.00 0.00 H ATOM 443 N ARG A 31 28.590 -0.226 0.488 1.00 13.10 N ATOM 444 CA ARG A 31 28.950 1.177 0.314 1.00 15.43 C ATOM 445 C ARG A 31 28.010 1.971 -0.592 1.00 21.59 C ATOM 446 O ARG A 31 28.019 1.842 -1.818 1.00 15.82 O ATOM 447 CB ARG A 31 30.385 1.326 -0.199 1.00 6.03 C ATOM 448 CG ARG A 31 30.732 2.768 -0.556 1.00 7.13 C ATOM 449 CD ARG A 31 32.229 2.990 -0.730 1.00 5.74 C ATOM 450 NE ARG A 31 32.509 4.331 -1.240 1.00 6.74 N ATOM 451 CZ ARG A 31 33.732 4.816 -1.447 1.00 16.81 C ATOM 452 NH1 ARG A 31 34.799 4.067 -1.189 1.00 20.28 N ATOM 453 NH2 ARG A 31 33.896 6.052 -1.906 1.00 14.49 N ATOM 454 HA ARG A 31 28.857 1.603 1.313 1.00 0.00 H ATOM 455 HB2 ARG A 31 31.071 0.983 0.576 1.00 0.00 H ATOM 456 HB3 ARG A 31 30.504 0.707 -1.088 1.00 0.00 H ATOM 457 HG2 ARG A 31 30.231 3.026 -1.489 1.00 0.00 H ATOM 458 HG3 ARG A 31 30.373 3.420 0.240 1.00 0.00 H ATOM 459 HD2 ARG A 31 32.619 2.254 -1.433 1.00 0.00 H ATOM 460 HD3 ARG A 31 32.722 2.866 0.234 1.00 0.00 H ATOM 461 HE ARG A 31 31.699 4.947 -1.456 1.00 0.00 H ATOM 462 HH12 ARG A 31 35.753 4.448 -1.351 1.00 0.00 H ATOM 463 HH11 ARG A 31 34.680 3.100 -0.825 1.00 0.00 H ATOM 464 HH22 ARG A 31 34.854 6.425 -2.065 1.00 0.00 H ATOM 465 HH21 ARG A 31 33.067 6.647 -2.106 1.00 0.00 H ATOM 466 H ARG A 31 27.995 -0.702 -0.220 1.00 0.00 H ATOM 467 N ASP A 32 27.204 2.809 0.043 1.00 27.79 N ATOM 468 CA ASP A 32 26.261 3.661 -0.650 1.00 29.67 C ATOM 469 C ASP A 32 26.892 5.039 -0.743 1.00 31.47 C ATOM 470 O ASP A 32 28.102 5.194 -0.568 1.00 30.65 O ATOM 471 CB ASP A 32 24.956 3.752 0.139 1.00 35.33 C ATOM 472 CG ASP A 32 23.737 3.507 -0.725 1.00 44.76 C ATOM 473 OD1 ASP A 32 23.705 4.010 -1.874 1.00 44.49 O ATOM 474 OD2 ASP A 32 22.810 2.811 -0.255 1.00 42.48 O ATOM 475 HA ASP A 32 26.036 3.260 -1.638 1.00 0.00 H ATOM 476 HB2 ASP A 32 24.976 3.008 0.935 1.00 0.00 H ATOM 477 HB3 ASP A 32 24.880 4.748 0.576 1.00 0.00 H ATOM 478 H ASP A 32 27.251 2.857 1.081 1.00 0.00 H ATOM 479 N ALA A 33 26.060 6.040 -1.000 1.00 32.72 N ATOM 480 CA ALA A 33 26.531 7.407 -1.121 1.00 31.89 C ATOM 481 C ALA A 33 26.516 8.071 0.246 1.00 36.02 C ATOM 482 O ALA A 33 27.186 9.084 0.464 1.00 41.47 O ATOM 483 CB ALA A 33 25.647 8.173 -2.087 1.00 28.10 C ATOM 484 HA ALA A 33 27.551 7.407 -1.506 1.00 0.00 H ATOM 485 HB1 ALA A 33 25.678 7.693 -3.065 1.00 0.00 H ATOM 486 HB2 ALA A 33 24.622 8.176 -1.715 1.00 0.00 H ATOM 487 HB3 ALA A 33 26.007 9.198 -2.172 1.00 0.00 H ATOM 488 H ALA A 33 25.046 5.840 -1.118 1.00 0.00 H ATOM 489 N GLY A 34 25.749 7.498 1.167 1.00 31.20 N ATOM 490 CA GLY A 34 25.683 8.067 2.495 1.00 28.77 C ATOM 491 C GLY A 34 25.936 7.056 3.593 1.00 26.38 C ATOM 492 O GLY A 34 25.898 7.413 4.764 1.00 31.16 O ATOM 493 HA3 GLY A 34 24.691 8.494 2.640 1.00 0.00 H ATOM 494 HA2 GLY A 34 26.431 8.856 2.571 1.00 0.00 H ATOM 495 H GLY A 34 25.200 6.646 0.935 1.00 0.00 H ATOM 496 N TRP A 35 26.209 5.807 3.223 1.00 20.77 N ATOM 497 CA TRP A 35 26.437 4.756 4.209 1.00 19.67 C ATOM 498 C TRP A 35 27.455 3.688 3.805 1.00 19.93 C ATOM 499 O TRP A 35 27.317 3.060 2.753 1.00 17.02 O ATOM 500 CB TRP A 35 25.121 4.064 4.522 1.00 19.01 C ATOM 501 CG TRP A 35 25.150 3.376 5.830 1.00 23.43 C ATOM 502 CD1 TRP A 35 25.493 2.070 6.072 1.00 19.41 C ATOM 503 CD2 TRP A 35 24.865 3.961 7.103 1.00 20.04 C ATOM 504 NE1 TRP A 35 25.441 1.813 7.423 1.00 18.63 N ATOM 505 CE2 TRP A 35 25.057 2.956 8.078 1.00 19.99 C ATOM 506 CE3 TRP A 35 24.466 5.239 7.517 1.00 18.78 C ATOM 507 CZ2 TRP A 35 24.864 3.191 9.442 1.00 19.07 C ATOM 508 CZ3 TRP A 35 24.275 5.473 8.877 1.00 13.44 C ATOM 509 CH2 TRP A 35 24.475 4.454 9.818 1.00 17.81 C ATOM 510 HA TRP A 35 26.858 5.267 5.075 1.00 0.00 H ATOM 511 HB2 TRP A 35 24.326 4.810 4.535 1.00 0.00 H ATOM 512 HB3 TRP A 35 24.916 3.330 3.743 1.00 0.00 H ATOM 513 HE1 TRP A 35 25.657 0.901 7.874 1.00 0.00 H ATOM 514 HD1 TRP A 35 25.766 1.343 5.307 1.00 0.00 H ATOM 515 HZ2 TRP A 35 25.016 2.403 10.179 1.00 0.00 H ATOM 516 HH2 TRP A 35 24.318 4.669 10.875 1.00 0.00 H ATOM 517 HZ3 TRP A 35 23.966 6.462 9.214 1.00 0.00 H ATOM 518 HE3 TRP A 35 24.308 6.035 6.789 1.00 0.00 H ATOM 519 H TRP A 35 26.261 5.575 2.210 1.00 0.00 H ATOM 520 N MET A 36 28.450 3.455 4.659 1.00 13.08 N ATOM 521 CA MET A 36 29.480 2.464 4.365 1.00 13.12 C ATOM 522 C MET A 36 29.722 1.553 5.562 1.00 17.92 C ATOM 523 O MET A 36 29.715 2.010 6.706 1.00 17.59 O ATOM 524 CB MET A 36 30.792 3.158 3.967 1.00 6.27 C ATOM 525 CG MET A 36 31.984 2.216 3.824 1.00 3.14 C ATOM 526 SD MET A 36 33.538 3.015 3.299 1.00 11.50 S ATOM 527 CE MET A 36 34.132 3.721 4.828 1.00 7.42 C ATOM 528 HA MET A 36 29.129 1.855 3.532 1.00 0.00 H ATOM 529 HB2 MET A 36 30.637 3.660 3.012 1.00 0.00 H ATOM 530 HB3 MET A 36 31.032 3.898 4.730 1.00 0.00 H ATOM 531 HG2 MET A 36 31.728 1.456 3.086 1.00 0.00 H ATOM 532 HG3 MET A 36 32.157 1.740 4.789 1.00 0.00 H ATOM 533 HE1 MET A 36 33.396 4.429 5.210 1.00 0.00 H ATOM 534 HE2 MET A 36 34.286 2.926 5.558 1.00 0.00 H ATOM 535 HE3 MET A 36 35.075 4.237 4.646 1.00 0.00 H ATOM 536 H MET A 36 28.494 3.988 5.551 1.00 0.00 H ATOM 537 N ILE A 37 29.928 0.266 5.288 1.00 16.01 N ATOM 538 CA ILE A 37 30.182 -0.712 6.333 1.00 17.63 C ATOM 539 C ILE A 37 31.528 -1.400 6.112 1.00 22.54 C ATOM 540 O ILE A 37 31.818 -1.875 5.010 1.00 30.78 O ATOM 541 CB ILE A 37 29.087 -1.782 6.352 1.00 15.12 C ATOM 542 CG1 ILE A 37 27.725 -1.112 6.527 1.00 23.81 C ATOM 543 CG2 ILE A 37 29.348 -2.772 7.473 1.00 22.32 C ATOM 544 CD1 ILE A 37 26.553 -2.042 6.379 1.00 23.45 C ATOM 545 HA ILE A 37 30.192 -0.180 7.284 1.00 0.00 H ATOM 546 HB ILE A 37 29.092 -2.327 5.408 1.00 0.00 H ATOM 547 HG12 ILE A 37 27.687 -0.671 7.523 1.00 0.00 H ATOM 548 HG13 ILE A 37 27.633 -0.325 5.779 1.00 0.00 H ATOM 549 HD11 ILE A 37 26.565 -2.484 5.383 1.00 0.00 H ATOM 550 HD12 ILE A 37 26.619 -2.830 7.129 1.00 0.00 H ATOM 551 HD13 ILE A 37 25.628 -1.483 6.518 1.00 0.00 H ATOM 552 HG21 ILE A 37 30.315 -3.250 7.316 1.00 0.00 H ATOM 553 HG22 ILE A 37 29.352 -2.245 8.427 1.00 0.00 H ATOM 554 HG23 ILE A 37 28.563 -3.529 7.478 1.00 0.00 H ATOM 555 H ILE A 37 29.906 -0.049 4.297 1.00 0.00 H ATOM 556 N LEU A 38 32.354 -1.436 7.153 1.00 19.56 N ATOM 557 CA LEU A 38 33.656 -2.096 7.083 1.00 18.38 C ATOM 558 C LEU A 38 33.587 -3.293 8.018 1.00 21.31 C ATOM 559 O LEU A 38 32.617 -3.439 8.762 1.00 24.71 O ATOM 560 CB LEU A 38 34.765 -1.145 7.526 1.00 13.15 C ATOM 561 CG LEU A 38 34.661 0.224 6.854 1.00 18.94 C ATOM 562 CD1 LEU A 38 35.767 1.138 7.332 1.00 13.37 C ATOM 563 CD2 LEU A 38 34.713 0.041 5.349 1.00 12.94 C ATOM 564 HA LEU A 38 33.881 -2.404 6.062 1.00 0.00 H ATOM 565 HB2 LEU A 38 34.701 -1.011 8.606 1.00 0.00 H ATOM 566 HB3 LEU A 38 35.728 -1.588 7.272 1.00 0.00 H ATOM 567 HG LEU A 38 33.714 0.692 7.123 1.00 0.00 H ATOM 568 HD21 LEU A 38 35.655 -0.433 5.074 1.00 0.00 H ATOM 569 HD22 LEU A 38 33.882 -0.589 5.032 1.00 0.00 H ATOM 570 HD23 LEU A 38 34.639 1.014 4.863 1.00 0.00 H ATOM 571 HD11 LEU A 38 35.689 1.267 8.411 1.00 0.00 H ATOM 572 HD12 LEU A 38 36.733 0.696 7.087 1.00 0.00 H ATOM 573 HD13 LEU A 38 35.674 2.107 6.841 1.00 0.00 H ATOM 574 H LEU A 38 32.065 -0.981 8.043 1.00 0.00 H ATOM 575 N GLN A 39 34.592 -4.158 7.987 1.00 19.73 N ATOM 576 CA GLN A 39 34.559 -5.324 8.855 1.00 22.80 C ATOM 577 C GLN A 39 35.856 -6.113 8.861 1.00 22.59 C ATOM 578 O GLN A 39 36.435 -6.375 7.807 1.00 29.24 O ATOM 579 CB GLN A 39 33.414 -6.251 8.443 1.00 22.56 C ATOM 580 CG GLN A 39 33.592 -7.680 8.919 1.00 33.73 C ATOM 581 CD GLN A 39 32.304 -8.481 8.883 1.00 38.88 C ATOM 582 OE1 GLN A 39 31.504 -8.352 7.955 1.00 43.20 O ATOM 583 NE2 GLN A 39 32.099 -9.320 9.897 1.00 42.20 N ATOM 584 HA GLN A 39 34.408 -4.945 9.866 1.00 0.00 H ATOM 585 HB2 GLN A 39 32.486 -5.861 8.861 1.00 0.00 H ATOM 586 HB3 GLN A 39 33.347 -6.255 7.355 1.00 0.00 H ATOM 587 HG2 GLN A 39 34.325 -8.171 8.279 1.00 0.00 H ATOM 588 HG3 GLN A 39 33.961 -7.662 9.944 1.00 0.00 H ATOM 589 HE22 GLN A 39 32.802 -9.396 10.659 1.00 0.00 H ATOM 590 HE21 GLN A 39 31.236 -9.899 9.926 1.00 0.00 H ATOM 591 H GLN A 39 35.397 -4.003 7.347 1.00 0.00 H ATOM 592 N ARG A 40 36.302 -6.481 10.059 1.00 15.41 N ATOM 593 CA ARG A 40 37.510 -7.278 10.247 1.00 18.41 C ATOM 594 C ARG A 40 37.166 -8.329 11.284 1.00 23.42 C ATOM 595 O ARG A 40 37.158 -8.038 12.481 1.00 26.89 O ATOM 596 CB ARG A 40 38.657 -6.436 10.773 1.00 17.04 C ATOM 597 CG ARG A 40 39.892 -7.249 11.119 1.00 17.53 C ATOM 598 CD ARG A 40 40.614 -6.670 12.323 1.00 31.37 C ATOM 599 NE ARG A 40 42.067 -6.661 12.166 1.00 32.09 N ATOM 600 CZ ARG A 40 42.907 -7.313 12.967 1.00 36.72 C ATOM 601 NH1 ARG A 40 42.435 -8.028 13.981 1.00 42.28 N ATOM 602 NH2 ARG A 40 44.216 -7.256 12.759 1.00 25.83 N ATOM 603 HA ARG A 40 37.825 -7.708 9.296 1.00 0.00 H ATOM 604 HB2 ARG A 40 38.927 -5.704 10.011 1.00 0.00 H ATOM 605 HB3 ARG A 40 38.322 -5.917 11.671 1.00 0.00 H ATOM 606 HG2 ARG A 40 39.592 -8.273 11.343 1.00 0.00 H ATOM 607 HG3 ARG A 40 40.569 -7.248 10.265 1.00 0.00 H ATOM 608 HD2 ARG A 40 40.362 -7.267 13.200 1.00 0.00 H ATOM 609 HD3 ARG A 40 40.274 -5.645 12.473 1.00 0.00 H ATOM 610 HE ARG A 40 42.470 -6.111 11.380 1.00 0.00 H ATOM 611 HH12 ARG A 40 43.090 -8.538 14.607 1.00 0.00 H ATOM 612 HH11 ARG A 40 41.410 -8.078 14.149 1.00 0.00 H ATOM 613 HH22 ARG A 40 44.865 -7.768 13.389 1.00 0.00 H ATOM 614 HH21 ARG A 40 44.593 -6.699 11.966 1.00 0.00 H ATOM 615 H ARG A 40 35.765 -6.187 10.900 1.00 0.00 H ATOM 616 N GLY A 41 36.894 -9.549 10.828 1.00 20.36 N ATOM 617 CA GLY A 41 36.516 -10.598 11.752 1.00 26.66 C ATOM 618 C GLY A 41 35.091 -10.311 12.202 1.00 25.28 C ATOM 619 O GLY A 41 34.229 -10.041 11.364 1.00 17.77 O ATOM 620 HA3 GLY A 41 37.186 -10.598 12.612 1.00 0.00 H ATOM 621 HA2 GLY A 41 36.563 -11.567 11.256 1.00 0.00 H ATOM 622 H GLY A 41 36.953 -9.749 9.809 1.00 0.00 H ATOM 623 N ASP A 42 34.842 -10.363 13.511 1.00 28.48 N ATOM 624 CA ASP A 42 33.507 -10.090 14.049 1.00 30.30 C ATOM 625 C ASP A 42 33.378 -8.606 14.343 1.00 26.74 C ATOM 626 O ASP A 42 32.324 -8.137 14.774 1.00 26.31 O ATOM 627 CB ASP A 42 33.244 -10.877 15.340 1.00 35.64 C ATOM 628 CG ASP A 42 33.737 -12.305 15.268 1.00 40.33 C ATOM 629 OD1 ASP A 42 33.116 -13.123 14.551 1.00 39.62 O ATOM 630 OD2 ASP A 42 34.749 -12.606 15.938 1.00 49.61 O ATOM 631 HA ASP A 42 32.775 -10.401 13.303 1.00 0.00 H ATOM 632 HB2 ASP A 42 33.751 -10.375 16.164 1.00 0.00 H ATOM 633 HB3 ASP A 42 32.170 -10.888 15.529 1.00 0.00 H ATOM 634 H ASP A 42 35.614 -10.603 14.165 1.00 0.00 H ATOM 635 N LEU A 43 34.465 -7.872 14.130 1.00 27.05 N ATOM 636 CA LEU A 43 34.456 -6.432 14.350 1.00 20.27 C ATOM 637 C LEU A 43 33.829 -5.815 13.114 1.00 22.61 C ATOM 638 O LEU A 43 34.336 -5.972 12.007 1.00 24.15 O ATOM 639 CB LEU A 43 35.876 -5.893 14.521 1.00 22.30 C ATOM 640 CG LEU A 43 36.805 -6.560 15.546 1.00 20.77 C ATOM 641 CD1 LEU A 43 38.207 -6.075 15.308 1.00 22.19 C ATOM 642 CD2 LEU A 43 36.377 -6.233 16.970 1.00 24.46 C ATOM 643 HA LEU A 43 33.902 -6.189 15.257 1.00 0.00 H ATOM 644 HB2 LEU A 43 36.365 -5.967 13.550 1.00 0.00 H ATOM 645 HB3 LEU A 43 35.788 -4.844 14.804 1.00 0.00 H ATOM 646 HG LEU A 43 36.753 -7.642 15.424 1.00 0.00 H ATOM 647 HD21 LEU A 43 36.411 -5.154 17.119 1.00 0.00 H ATOM 648 HD22 LEU A 43 35.361 -6.592 17.134 1.00 0.00 H ATOM 649 HD23 LEU A 43 37.054 -6.719 17.672 1.00 0.00 H ATOM 650 HD11 LEU A 43 38.516 -6.342 14.297 1.00 0.00 H ATOM 651 HD12 LEU A 43 38.240 -4.992 15.425 1.00 0.00 H ATOM 652 HD13 LEU A 43 38.879 -6.541 16.029 1.00 0.00 H ATOM 653 H LEU A 43 35.337 -8.333 13.801 1.00 0.00 H ATOM 654 N MET A 44 32.713 -5.125 13.311 1.00 26.38 N ATOM 655 CA MET A 44 31.994 -4.473 12.231 1.00 25.58 C ATOM 656 C MET A 44 31.718 -3.014 12.623 1.00 31.35 C ATOM 657 O MET A 44 31.205 -2.751 13.713 1.00 38.72 O ATOM 658 CB MET A 44 30.682 -5.223 11.976 1.00 29.69 C ATOM 659 CG MET A 44 29.542 -4.360 11.449 1.00 36.79 C ATOM 660 SD MET A 44 28.589 -5.167 10.139 1.00 43.35 S ATOM 661 CE MET A 44 27.080 -5.640 11.034 1.00 42.69 C ATOM 662 HA MET A 44 32.588 -4.486 11.317 1.00 0.00 H ATOM 663 HB2 MET A 44 30.877 -6.009 11.247 1.00 0.00 H ATOM 664 HB3 MET A 44 30.360 -5.673 12.915 1.00 0.00 H ATOM 665 HG2 MET A 44 29.961 -3.434 11.054 1.00 0.00 H ATOM 666 HG3 MET A 44 28.870 -4.129 12.276 1.00 0.00 H ATOM 667 HE1 MET A 44 27.340 -6.309 11.854 1.00 0.00 H ATOM 668 HE2 MET A 44 26.599 -4.746 11.431 1.00 0.00 H ATOM 669 HE3 MET A 44 26.399 -6.148 10.352 1.00 0.00 H ATOM 670 H MET A 44 32.338 -5.048 14.278 1.00 0.00 H ATOM 671 N LEU A 45 32.072 -2.074 11.744 1.00 26.71 N ATOM 672 CA LEU A 45 31.857 -0.644 11.993 1.00 21.04 C ATOM 673 C LEU A 45 31.068 -0.018 10.854 1.00 20.43 C ATOM 674 O LEU A 45 31.305 -0.308 9.687 1.00 19.12 O ATOM 675 CB LEU A 45 33.188 0.099 12.120 1.00 29.30 C ATOM 676 CG LEU A 45 34.172 -0.361 13.193 1.00 30.17 C ATOM 677 CD1 LEU A 45 35.576 -0.269 12.645 1.00 32.27 C ATOM 678 CD2 LEU A 45 34.028 0.505 14.421 1.00 33.23 C ATOM 679 HA LEU A 45 31.301 -0.558 12.927 1.00 0.00 H ATOM 680 HB2 LEU A 45 33.696 0.018 11.159 1.00 0.00 H ATOM 681 HB3 LEU A 45 32.957 1.145 12.321 1.00 0.00 H ATOM 682 HG LEU A 45 33.962 -1.394 13.471 1.00 0.00 H ATOM 683 HD21 LEU A 45 34.237 1.542 14.159 1.00 0.00 H ATOM 684 HD22 LEU A 45 33.011 0.424 14.804 1.00 0.00 H ATOM 685 HD23 LEU A 45 34.732 0.172 15.183 1.00 0.00 H ATOM 686 HD11 LEU A 45 35.664 -0.908 11.766 1.00 0.00 H ATOM 687 HD12 LEU A 45 35.790 0.763 12.368 1.00 0.00 H ATOM 688 HD13 LEU A 45 36.284 -0.596 13.406 1.00 0.00 H ATOM 689 H LEU A 45 32.516 -2.366 10.850 1.00 0.00 H ATOM 690 N GLU A 46 30.147 0.869 11.192 1.00 17.43 N ATOM 691 CA GLU A 46 29.325 1.496 10.179 1.00 15.96 C ATOM 692 C GLU A 46 29.521 3.003 10.158 1.00 19.32 C ATOM 693 O GLU A 46 29.549 3.655 11.205 1.00 26.59 O ATOM 694 CB GLU A 46 27.872 1.134 10.436 1.00 2.00 C ATOM 695 CG GLU A 46 27.616 -0.326 10.239 1.00 2.00 C ATOM 696 CD GLU A 46 26.144 -0.693 10.356 1.00 11.15 C ATOM 697 OE1 GLU A 46 25.366 -0.407 9.421 1.00 6.15 O ATOM 698 OE2 GLU A 46 25.759 -1.273 11.391 1.00 15.59 O ATOM 699 HA GLU A 46 29.623 1.128 9.197 1.00 0.00 H ATOM 700 HB2 GLU A 46 27.619 1.401 11.462 1.00 0.00 H ATOM 701 HB3 GLU A 46 27.241 1.698 9.749 1.00 0.00 H ATOM 702 HG2 GLU A 46 27.967 -0.610 9.247 1.00 0.00 H ATOM 703 HG3 GLU A 46 28.174 -0.882 10.993 1.00 0.00 H ATOM 704 H GLU A 46 30.012 1.118 12.193 1.00 0.00 H ATOM 705 N PHE A 47 29.660 3.563 8.965 1.00 18.90 N ATOM 706 CA PHE A 47 29.881 4.996 8.850 1.00 18.47 C ATOM 707 C PHE A 47 28.776 5.686 8.104 1.00 21.02 C ATOM 708 O PHE A 47 28.007 5.063 7.368 1.00 19.03 O ATOM 709 CB PHE A 47 31.208 5.285 8.145 1.00 12.01 C ATOM 710 CG PHE A 47 32.394 4.665 8.817 1.00 7.08 C ATOM 711 CD1 PHE A 47 32.676 3.316 8.649 1.00 2.00 C ATOM 712 CD2 PHE A 47 33.237 5.435 9.609 1.00 7.60 C ATOM 713 CE1 PHE A 47 33.792 2.736 9.263 1.00 10.30 C ATOM 714 CE2 PHE A 47 34.353 4.866 10.228 1.00 6.04 C ATOM 715 CZ PHE A 47 34.631 3.514 10.053 1.00 2.00 C ATOM 716 HA PHE A 47 29.905 5.386 9.868 1.00 0.00 H ATOM 717 HB2 PHE A 47 31.148 4.900 7.127 1.00 0.00 H ATOM 718 HB3 PHE A 47 31.354 6.365 8.115 1.00 0.00 H ATOM 719 HD2 PHE A 47 33.025 6.495 9.749 1.00 0.00 H ATOM 720 HE2 PHE A 47 35.006 5.481 10.848 1.00 0.00 H ATOM 721 HZ PHE A 47 35.502 3.067 10.533 1.00 0.00 H ATOM 722 HE1 PHE A 47 34.003 1.676 9.122 1.00 0.00 H ATOM 723 HD1 PHE A 47 32.021 2.701 8.032 1.00 0.00 H ATOM 724 H PHE A 47 29.611 2.976 8.108 1.00 0.00 H ATOM 725 N PHE A 48 28.714 6.992 8.310 1.00 24.35 N ATOM 726 CA PHE A 48 27.733 7.843 7.667 1.00 25.60 C ATOM 727 C PHE A 48 28.466 9.130 7.279 1.00 29.50 C ATOM 728 O PHE A 48 29.473 9.494 7.898 1.00 33.37 O ATOM 729 CB PHE A 48 26.584 8.141 8.635 1.00 24.37 C ATOM 730 CG PHE A 48 27.022 8.791 9.927 1.00 24.07 C ATOM 731 CD1 PHE A 48 27.283 10.158 9.982 1.00 16.38 C ATOM 732 CD2 PHE A 48 27.140 8.039 11.095 1.00 24.16 C ATOM 733 CE1 PHE A 48 27.651 10.773 11.179 1.00 22.00 C ATOM 734 CE2 PHE A 48 27.508 8.644 12.300 1.00 29.27 C ATOM 735 CZ PHE A 48 27.763 10.017 12.342 1.00 23.59 C ATOM 736 HA PHE A 48 27.300 7.365 6.789 1.00 0.00 H ATOM 737 HB2 PHE A 48 25.880 8.808 8.137 1.00 0.00 H ATOM 738 HB3 PHE A 48 26.085 7.202 8.875 1.00 0.00 H ATOM 739 HD2 PHE A 48 26.943 6.967 11.068 1.00 0.00 H ATOM 740 HE2 PHE A 48 27.596 8.045 13.206 1.00 0.00 H ATOM 741 HZ PHE A 48 28.048 10.493 13.280 1.00 0.00 H ATOM 742 HE1 PHE A 48 27.851 11.844 11.203 1.00 0.00 H ATOM 743 HD1 PHE A 48 27.198 10.757 9.075 1.00 0.00 H ATOM 744 H PHE A 48 29.399 7.426 8.961 1.00 0.00 H ATOM 745 N ALA A 49 27.976 9.808 6.249 1.00 26.80 N ATOM 746 CA ALA A 49 28.609 11.038 5.811 1.00 25.57 C ATOM 747 C ALA A 49 28.271 12.161 6.767 1.00 29.82 C ATOM 748 O ALA A 49 27.101 12.416 7.039 1.00 37.21 O ATOM 749 CB ALA A 49 28.142 11.392 4.416 1.00 22.51 C ATOM 750 HA ALA A 49 29.689 10.895 5.798 1.00 0.00 H ATOM 751 HB1 ALA A 49 28.407 10.587 3.730 1.00 0.00 H ATOM 752 HB2 ALA A 49 27.060 11.526 4.419 1.00 0.00 H ATOM 753 HB3 ALA A 49 28.623 12.317 4.097 1.00 0.00 H ATOM 754 H ALA A 49 27.133 9.456 5.752 1.00 0.00 H ATOM 755 N HIS A 50 29.295 12.823 7.292 1.00 30.36 N ATOM 756 CA HIS A 50 29.085 13.948 8.200 1.00 35.86 C ATOM 757 C HIS A 50 30.036 15.052 7.761 1.00 37.34 C ATOM 758 O HIS A 50 30.940 15.435 8.499 1.00 43.37 O ATOM 759 CB HIS A 50 29.382 13.545 9.646 1.00 33.95 C ATOM 760 CG HIS A 50 29.040 14.603 10.649 1.00 36.35 C ATOM 761 ND1 HIS A 50 28.401 15.775 10.304 1.00 37.75 N ATOM 762 CD2 HIS A 50 29.249 14.667 11.985 1.00 37.83 C ATOM 763 CE1 HIS A 50 28.233 16.515 11.386 1.00 35.28 C ATOM 764 NE2 HIS A 50 28.738 15.866 12.419 1.00 31.21 N ATOM 765 HA HIS A 50 28.047 14.280 8.162 1.00 0.00 H ATOM 766 HB2 HIS A 50 28.805 12.650 9.879 1.00 0.00 H ATOM 767 HB3 HIS A 50 30.446 13.322 9.730 1.00 0.00 H ATOM 768 HD2 HIS A 50 29.732 13.909 12.601 1.00 0.00 H ATOM 769 HE1 HIS A 50 27.758 17.495 11.420 1.00 0.00 H ATOM 770 H HIS A 50 30.265 12.535 7.052 1.00 0.00 H ATOM 771 N PRO A 51 29.826 15.589 6.548 1.00 38.45 N ATOM 772 CA PRO A 51 30.657 16.650 5.969 1.00 37.94 C ATOM 773 C PRO A 51 30.914 17.865 6.849 1.00 38.79 C ATOM 774 O PRO A 51 32.045 18.354 6.917 1.00 40.71 O ATOM 775 CB PRO A 51 29.925 17.022 4.677 1.00 39.12 C ATOM 776 CG PRO A 51 28.552 16.465 4.831 1.00 34.76 C ATOM 777 CD PRO A 51 28.718 15.229 5.648 1.00 36.25 C ATOM 778 HA PRO A 51 31.672 16.282 5.820 1.00 0.00 H ATOM 779 HD3 PRO A 51 27.812 15.003 6.209 1.00 0.00 H ATOM 780 HD2 PRO A 51 28.979 14.375 5.023 1.00 0.00 H ATOM 781 HG3 PRO A 51 28.126 16.225 3.857 1.00 0.00 H ATOM 782 HG2 PRO A 51 27.906 17.178 5.343 1.00 0.00 H ATOM 783 HB2 PRO A 51 29.887 18.105 4.557 1.00 0.00 H ATOM 784 HB3 PRO A 51 30.423 16.579 3.814 1.00 0.00 H ATOM 785 N GLY A 52 29.875 18.353 7.517 1.00 37.37 N ATOM 786 CA GLY A 52 30.038 19.523 8.360 1.00 39.08 C ATOM 787 C GLY A 52 30.661 19.219 9.705 1.00 43.80 C ATOM 788 O GLY A 52 30.371 19.893 10.696 1.00 48.10 O ATOM 789 HA3 GLY A 52 29.057 19.967 8.527 1.00 0.00 H ATOM 790 HA2 GLY A 52 30.675 20.238 7.839 1.00 0.00 H ATOM 791 H GLY A 52 28.944 17.896 7.436 1.00 0.00 H ATOM 792 N LEU A 53 31.533 18.218 9.742 1.00 42.14 N ATOM 793 CA LEU A 53 32.175 17.817 10.987 1.00 41.83 C ATOM 794 C LEU A 53 33.576 18.396 11.207 1.00 37.96 C ATOM 795 O LEU A 53 34.358 18.543 10.267 1.00 40.49 O ATOM 796 CB LEU A 53 32.235 16.286 11.059 1.00 39.02 C ATOM 797 CG LEU A 53 33.418 15.677 11.814 1.00 39.85 C ATOM 798 CD1 LEU A 53 33.054 15.547 13.285 1.00 33.67 C ATOM 799 CD2 LEU A 53 33.788 14.322 11.211 1.00 40.49 C ATOM 800 HA LEU A 53 31.559 18.231 11.785 1.00 0.00 H ATOM 801 HB2 LEU A 53 31.322 15.942 11.544 1.00 0.00 H ATOM 802 HB3 LEU A 53 32.266 15.908 10.037 1.00 0.00 H ATOM 803 HG LEU A 53 34.289 16.326 11.724 1.00 0.00 H ATOM 804 HD21 LEU A 53 32.934 13.649 11.282 1.00 0.00 H ATOM 805 HD22 LEU A 53 34.062 14.454 10.164 1.00 0.00 H ATOM 806 HD23 LEU A 53 34.631 13.900 11.758 1.00 0.00 H ATOM 807 HD11 LEU A 53 32.827 16.533 13.690 1.00 0.00 H ATOM 808 HD12 LEU A 53 32.181 14.902 13.386 1.00 0.00 H ATOM 809 HD13 LEU A 53 33.893 15.113 13.829 1.00 0.00 H ATOM 810 H LEU A 53 31.762 17.710 8.864 1.00 0.00 H ATOM 811 N ASP A 54 33.877 18.723 12.460 1.00 32.70 N ATOM 812 CA ASP A 54 35.184 19.245 12.832 1.00 26.21 C ATOM 813 C ASP A 54 35.933 18.143 13.577 1.00 26.59 C ATOM 814 O ASP A 54 35.620 17.832 14.726 1.00 26.95 O ATOM 815 CB ASP A 54 35.045 20.460 13.736 1.00 20.24 C ATOM 816 CG ASP A 54 36.367 21.190 13.935 1.00 25.02 C ATOM 817 OD1 ASP A 54 36.326 22.411 14.234 1.00 2.73 O ATOM 818 OD2 ASP A 54 37.437 20.539 13.790 1.00 18.12 O ATOM 819 HA ASP A 54 35.724 19.550 11.936 1.00 0.00 H ATOM 820 HB2 ASP A 54 34.328 21.149 13.289 1.00 0.00 H ATOM 821 HB3 ASP A 54 34.676 20.133 14.708 1.00 0.00 H ATOM 822 H ASP A 54 33.155 18.602 13.199 1.00 0.00 H ATOM 823 N PRO A 55 36.950 17.552 12.934 1.00 25.56 N ATOM 824 CA PRO A 55 37.718 16.480 13.569 1.00 23.26 C ATOM 825 C PRO A 55 38.343 16.887 14.901 1.00 23.64 C ATOM 826 O PRO A 55 38.705 16.029 15.709 1.00 28.70 O ATOM 827 CB PRO A 55 38.777 16.120 12.525 1.00 16.23 C ATOM 828 CG PRO A 55 38.274 16.681 11.235 1.00 13.52 C ATOM 829 CD PRO A 55 37.455 17.876 11.587 1.00 22.21 C ATOM 830 HA PRO A 55 37.081 15.637 13.838 1.00 0.00 H ATOM 831 HD3 PRO A 55 38.066 18.778 11.605 1.00 0.00 H ATOM 832 HD2 PRO A 55 36.634 18.009 10.883 1.00 0.00 H ATOM 833 HG3 PRO A 55 37.662 15.944 10.716 1.00 0.00 H ATOM 834 HG2 PRO A 55 39.110 16.971 10.598 1.00 0.00 H ATOM 835 HB2 PRO A 55 39.737 16.566 12.786 1.00 0.00 H ATOM 836 HB3 PRO A 55 38.888 15.038 12.452 1.00 0.00 H ATOM 837 N LEU A 56 38.457 18.190 15.139 1.00 19.88 N ATOM 838 CA LEU A 56 39.064 18.663 16.375 1.00 22.22 C ATOM 839 C LEU A 56 38.059 18.971 17.480 1.00 22.10 C ATOM 840 O LEU A 56 38.435 19.150 18.644 1.00 18.97 O ATOM 841 CB LEU A 56 39.922 19.892 16.085 1.00 25.71 C ATOM 842 CG LEU A 56 41.069 19.650 15.089 1.00 30.13 C ATOM 843 CD1 LEU A 56 41.627 20.984 14.609 1.00 21.30 C ATOM 844 CD2 LEU A 56 42.162 18.804 15.745 1.00 26.35 C ATOM 845 HA LEU A 56 39.679 17.846 16.751 1.00 0.00 H ATOM 846 HB2 LEU A 56 39.276 20.670 15.678 1.00 0.00 H ATOM 847 HB3 LEU A 56 40.354 20.235 17.025 1.00 0.00 H ATOM 848 HG LEU A 56 40.689 19.105 14.225 1.00 0.00 H ATOM 849 HD21 LEU A 56 42.550 19.328 16.619 1.00 0.00 H ATOM 850 HD22 LEU A 56 41.743 17.845 16.051 1.00 0.00 H ATOM 851 HD23 LEU A 56 42.969 18.639 15.031 1.00 0.00 H ATOM 852 HD11 LEU A 56 40.837 21.551 14.118 1.00 0.00 H ATOM 853 HD12 LEU A 56 42.004 21.547 15.463 1.00 0.00 H ATOM 854 HD13 LEU A 56 42.439 20.804 13.904 1.00 0.00 H ATOM 855 H LEU A 56 38.110 18.876 14.438 1.00 0.00 H ATOM 856 N ALA A 57 36.783 19.023 17.118 1.00 15.36 N ATOM 857 CA ALA A 57 35.738 19.297 18.086 1.00 18.89 C ATOM 858 C ALA A 57 34.837 18.091 18.231 1.00 21.23 C ATOM 859 O ALA A 57 33.811 18.148 18.899 1.00 25.69 O ATOM 860 CB ALA A 57 34.923 20.493 17.646 1.00 24.09 C ATOM 861 HA ALA A 57 36.200 19.515 19.049 1.00 0.00 H ATOM 862 HB1 ALA A 57 35.573 21.364 17.564 1.00 0.00 H ATOM 863 HB2 ALA A 57 34.469 20.285 16.677 1.00 0.00 H ATOM 864 HB3 ALA A 57 34.142 20.689 18.381 1.00 0.00 H ATOM 865 H ALA A 57 36.528 18.864 16.122 1.00 0.00 H ATOM 866 N SER A 58 35.225 16.989 17.609 1.00 24.29 N ATOM 867 CA SER A 58 34.420 15.780 17.659 1.00 26.83 C ATOM 868 C SER A 58 34.444 15.054 18.991 1.00 24.26 C ATOM 869 O SER A 58 35.464 15.024 19.683 1.00 16.72 O ATOM 870 CB SER A 58 34.856 14.808 16.570 1.00 30.61 C ATOM 871 OG SER A 58 34.708 13.470 17.020 1.00 40.88 O ATOM 872 HA SER A 58 33.396 16.121 17.505 1.00 0.00 H ATOM 873 HB2 SER A 58 35.901 14.991 16.321 1.00 0.00 H ATOM 874 HB3 SER A 58 34.240 14.960 15.683 1.00 0.00 H ATOM 875 HG SER A 58 34.994 12.849 16.304 1.00 0.00 H ATOM 876 H SER A 58 36.119 16.988 17.077 1.00 0.00 H ATOM 877 N TRP A 59 33.307 14.443 19.321 1.00 24.08 N ATOM 878 CA TRP A 59 33.146 13.690 20.559 1.00 26.38 C ATOM 879 C TRP A 59 32.837 12.222 20.280 1.00 23.65 C ATOM 880 O TRP A 59 32.602 11.459 21.213 1.00 26.43 O ATOM 881 CB TRP A 59 31.997 14.272 21.393 1.00 24.47 C ATOM 882 CG TRP A 59 32.367 15.471 22.224 1.00 25.26 C ATOM 883 CD1 TRP A 59 32.741 16.695 21.765 1.00 22.56 C ATOM 884 CD2 TRP A 59 32.362 15.562 23.656 1.00 27.40 C ATOM 885 NE1 TRP A 59 32.967 17.548 22.818 1.00 33.49 N ATOM 886 CE2 TRP A 59 32.742 16.879 23.991 1.00 30.74 C ATOM 887 CE3 TRP A 59 32.069 14.658 24.689 1.00 30.54 C ATOM 888 CZ2 TRP A 59 32.842 17.320 25.320 1.00 34.68 C ATOM 889 CZ3 TRP A 59 32.168 15.096 26.017 1.00 27.46 C ATOM 890 CH2 TRP A 59 32.553 16.416 26.316 1.00 31.58 C ATOM 891 HA TRP A 59 34.086 13.764 21.105 1.00 0.00 H ATOM 892 HB2 TRP A 59 31.197 14.564 20.712 1.00 0.00 H ATOM 893 HB3 TRP A 59 31.635 13.493 22.064 1.00 0.00 H ATOM 894 HE1 TRP A 59 33.262 18.542 22.737 1.00 0.00 H ATOM 895 HD1 TRP A 59 32.846 16.961 20.713 1.00 0.00 H ATOM 896 HZ2 TRP A 59 33.138 18.342 25.554 1.00 0.00 H ATOM 897 HH2 TRP A 59 32.624 16.729 27.358 1.00 0.00 H ATOM 898 HZ3 TRP A 59 31.944 14.405 26.829 1.00 0.00 H ATOM 899 HE3 TRP A 59 31.770 13.634 24.463 1.00 0.00 H ATOM 900 H TRP A 59 32.500 14.506 18.668 1.00 0.00 H ATOM 901 N PHE A 60 32.835 11.831 19.007 1.00 22.56 N ATOM 902 CA PHE A 60 32.510 10.455 18.621 1.00 16.68 C ATOM 903 C PHE A 60 33.603 9.485 19.010 1.00 18.87 C ATOM 904 O PHE A 60 34.785 9.824 18.962 1.00 23.73 O ATOM 905 CB PHE A 60 32.265 10.357 17.114 1.00 11.96 C ATOM 906 CG PHE A 60 30.952 10.936 16.669 1.00 16.04 C ATOM 907 CD1 PHE A 60 30.900 12.176 16.037 1.00 16.58 C ATOM 908 CD2 PHE A 60 29.762 10.236 16.865 1.00 24.05 C ATOM 909 CE1 PHE A 60 29.670 12.715 15.599 1.00 15.86 C ATOM 910 CE2 PHE A 60 28.526 10.764 16.433 1.00 16.19 C ATOM 911 CZ PHE A 60 28.485 12.004 15.800 1.00 11.29 C ATOM 912 HA PHE A 60 31.601 10.185 19.159 1.00 0.00 H ATOM 913 HB2 PHE A 60 33.066 10.889 16.601 1.00 0.00 H ATOM 914 HB3 PHE A 60 32.290 9.305 16.830 1.00 0.00 H ATOM 915 HD2 PHE A 60 29.787 9.265 17.360 1.00 0.00 H ATOM 916 HE2 PHE A 60 27.606 10.202 16.594 1.00 0.00 H ATOM 917 HZ PHE A 60 27.534 12.417 15.464 1.00 0.00 H ATOM 918 HE1 PHE A 60 29.646 13.686 15.104 1.00 0.00 H ATOM 919 HD1 PHE A 60 31.820 12.738 15.878 1.00 0.00 H ATOM 920 H PHE A 60 33.071 12.522 18.266 1.00 0.00 H ATOM 921 N SER A 61 33.198 8.270 19.376 1.00 18.78 N ATOM 922 CA SER A 61 34.130 7.233 19.796 1.00 16.05 C ATOM 923 C SER A 61 33.443 5.870 19.863 1.00 17.65 C ATOM 924 O SER A 61 32.276 5.719 19.508 1.00 21.63 O ATOM 925 CB SER A 61 34.676 7.569 21.182 1.00 17.32 C ATOM 926 OG SER A 61 33.620 7.558 22.135 1.00 15.22 O ATOM 927 HA SER A 61 34.937 7.189 19.065 1.00 0.00 H ATOM 928 HB2 SER A 61 35.133 8.558 21.160 1.00 0.00 H ATOM 929 HB3 SER A 61 35.426 6.830 21.464 1.00 0.00 H ATOM 930 HG SER A 61 33.205 6.659 22.156 1.00 0.00 H ATOM 931 H SER A 61 32.181 8.054 19.361 1.00 0.00 H ATOM 932 N CYS A 62 34.181 4.871 20.321 1.00 15.33 N ATOM 933 CA CYS A 62 33.622 3.542 20.472 1.00 17.30 C ATOM 934 C CYS A 62 34.680 2.603 21.052 1.00 17.99 C ATOM 935 O CYS A 62 35.840 2.988 21.218 1.00 21.13 O ATOM 936 CB CYS A 62 33.062 3.045 19.125 1.00 12.17 C ATOM 937 SG CYS A 62 34.232 2.260 17.991 1.00 11.56 S ATOM 938 HA CYS A 62 32.787 3.565 21.172 1.00 0.00 H ATOM 939 HB2 CYS A 62 32.630 3.904 18.611 1.00 0.00 H ATOM 940 HB3 CYS A 62 32.277 2.321 19.342 1.00 0.00 H ATOM 941 HG CYS A 62 33.570 1.877 16.842 1.00 0.00 H ATOM 942 H CYS A 62 35.175 5.042 20.576 1.00 0.00 H ATOM 943 N CYS A 63 34.277 1.382 21.384 1.00 20.76 N ATOM 944 CA CYS A 63 35.204 0.407 21.950 1.00 22.77 C ATOM 945 C CYS A 63 35.427 -0.760 21.004 1.00 25.39 C ATOM 946 O CYS A 63 34.531 -1.157 20.253 1.00 32.83 O ATOM 947 CB CYS A 63 34.668 -0.161 23.268 1.00 18.33 C ATOM 948 SG CYS A 63 35.106 0.728 24.773 1.00 14.06 S ATOM 949 HA CYS A 63 36.143 0.935 22.118 1.00 0.00 H ATOM 950 HB2 CYS A 63 35.043 -1.180 23.365 1.00 0.00 H ATOM 951 HB3 CYS A 63 33.580 -0.181 23.201 1.00 0.00 H ATOM 952 HG CYS A 63 34.548 0.089 25.862 1.00 0.00 H ATOM 953 H CYS A 63 33.282 1.116 21.238 1.00 0.00 H ATOM 954 N LEU A 64 36.633 -1.304 21.048 1.00 24.31 N ATOM 955 CA LEU A 64 36.994 -2.461 20.250 1.00 20.64 C ATOM 956 C LEU A 64 37.592 -3.413 21.278 1.00 16.53 C ATOM 957 O LEU A 64 38.780 -3.380 21.579 1.00 19.35 O ATOM 958 CB LEU A 64 38.034 -2.097 19.184 1.00 23.74 C ATOM 959 CG LEU A 64 37.540 -1.473 17.866 1.00 23.73 C ATOM 960 CD1 LEU A 64 38.666 -1.523 16.819 1.00 6.15 C ATOM 961 CD2 LEU A 64 36.291 -2.215 17.365 1.00 24.76 C ATOM 962 HA LEU A 64 36.149 -2.882 19.706 1.00 0.00 H ATOM 963 HB2 LEU A 64 38.727 -1.388 19.637 1.00 0.00 H ATOM 964 HB3 LEU A 64 38.568 -3.012 18.928 1.00 0.00 H ATOM 965 HG LEU A 64 37.268 -0.431 18.036 1.00 0.00 H ATOM 966 HD21 LEU A 64 36.537 -3.263 17.195 1.00 0.00 H ATOM 967 HD22 LEU A 64 35.502 -2.142 18.113 1.00 0.00 H ATOM 968 HD23 LEU A 64 35.952 -1.764 16.432 1.00 0.00 H ATOM 969 HD11 LEU A 64 39.527 -0.963 17.186 1.00 0.00 H ATOM 970 HD12 LEU A 64 38.953 -2.560 16.645 1.00 0.00 H ATOM 971 HD13 LEU A 64 38.314 -1.081 15.887 1.00 0.00 H ATOM 972 H LEU A 64 37.348 -0.887 21.678 1.00 0.00 H ATOM 973 N ARG A 65 36.736 -4.231 21.861 1.00 17.14 N ATOM 974 CA ARG A 65 37.179 -5.178 22.857 1.00 14.15 C ATOM 975 C ARG A 65 37.692 -6.391 22.089 1.00 15.46 C ATOM 976 O ARG A 65 36.919 -7.129 21.475 1.00 13.41 O ATOM 977 CB ARG A 65 36.005 -5.518 23.775 1.00 10.39 C ATOM 978 CG ARG A 65 35.462 -4.293 24.506 1.00 2.00 C ATOM 979 CD ARG A 65 34.568 -4.668 25.688 1.00 16.09 C ATOM 980 NE ARG A 65 34.051 -3.496 26.403 1.00 14.58 N ATOM 981 CZ ARG A 65 34.641 -2.935 27.457 1.00 14.13 C ATOM 982 NH1 ARG A 65 35.777 -3.432 27.933 1.00 13.29 N ATOM 983 NH2 ARG A 65 34.098 -1.873 28.040 1.00 21.72 N ATOM 984 HA ARG A 65 37.973 -4.789 23.494 1.00 0.00 H ATOM 985 HB2 ARG A 65 35.205 -5.950 23.174 1.00 0.00 H ATOM 986 HB3 ARG A 65 36.338 -6.247 24.514 1.00 0.00 H ATOM 987 HG2 ARG A 65 36.302 -3.704 24.875 1.00 0.00 H ATOM 988 HG3 ARG A 65 34.881 -3.695 23.804 1.00 0.00 H ATOM 989 HD2 ARG A 65 35.147 -5.274 26.385 1.00 0.00 H ATOM 990 HD3 ARG A 65 33.725 -5.250 25.316 1.00 0.00 H ATOM 991 HE ARG A 65 33.163 -3.074 26.064 1.00 0.00 H ATOM 992 HH12 ARG A 65 36.233 -2.990 28.756 1.00 0.00 H ATOM 993 HH11 ARG A 65 36.210 -4.263 27.482 1.00 0.00 H ATOM 994 HH22 ARG A 65 34.562 -1.438 28.863 1.00 0.00 H ATOM 995 HH21 ARG A 65 33.209 -1.476 27.674 1.00 0.00 H ATOM 996 H ARG A 65 35.730 -4.193 21.600 1.00 0.00 H ATOM 997 N LEU A 66 39.010 -6.561 22.113 1.00 13.40 N ATOM 998 CA LEU A 66 39.679 -7.639 21.403 1.00 20.16 C ATOM 999 C LEU A 66 40.277 -8.720 22.291 1.00 23.83 C ATOM 1000 O LEU A 66 40.476 -8.519 23.483 1.00 27.24 O ATOM 1001 CB LEU A 66 40.785 -7.050 20.526 1.00 19.91 C ATOM 1002 CG LEU A 66 40.461 -5.696 19.878 1.00 12.61 C ATOM 1003 CD1 LEU A 66 41.738 -4.895 19.725 1.00 6.06 C ATOM 1004 CD2 LEU A 66 39.781 -5.903 18.527 1.00 2.00 C ATOM 1005 HA LEU A 66 38.904 -8.130 20.814 1.00 0.00 H ATOM 1006 HB2 LEU A 66 41.673 -6.923 21.145 1.00 0.00 H ATOM 1007 HB3 LEU A 66 40.998 -7.762 19.729 1.00 0.00 H ATOM 1008 HG LEU A 66 39.772 -5.143 20.517 1.00 0.00 H ATOM 1009 HD21 LEU A 66 40.446 -6.463 17.869 1.00 0.00 H ATOM 1010 HD22 LEU A 66 38.855 -6.460 18.669 1.00 0.00 H ATOM 1011 HD23 LEU A 66 39.558 -4.933 18.081 1.00 0.00 H ATOM 1012 HD11 LEU A 66 42.184 -4.733 20.706 1.00 0.00 H ATOM 1013 HD12 LEU A 66 42.436 -5.444 19.094 1.00 0.00 H ATOM 1014 HD13 LEU A 66 41.509 -3.934 19.265 1.00 0.00 H ATOM 1015 H LEU A 66 39.588 -5.894 22.663 1.00 0.00 H ATOM 1016 N ASP A 67 40.586 -9.861 21.680 1.00 29.53 N ATOM 1017 CA ASP A 67 41.163 -11.003 22.378 1.00 32.19 C ATOM 1018 C ASP A 67 42.682 -10.902 22.384 1.00 35.34 C ATOM 1019 O ASP A 67 43.360 -11.522 23.211 1.00 34.17 O ATOM 1020 CB ASP A 67 40.728 -12.304 21.702 1.00 33.36 C ATOM 1021 CG ASP A 67 39.256 -12.624 21.942 1.00 37.88 C ATOM 1022 OD1 ASP A 67 38.662 -12.060 22.886 1.00 34.75 O ATOM 1023 OD2 ASP A 67 38.688 -13.440 21.187 1.00 44.39 O ATOM 1024 HA ASP A 67 40.806 -11.002 23.408 1.00 0.00 H ATOM 1025 HB2 ASP A 67 40.896 -12.214 20.629 1.00 0.00 H ATOM 1026 HB3 ASP A 67 41.332 -13.121 22.095 1.00 0.00 H ATOM 1027 H ASP A 67 40.408 -9.941 20.659 1.00 0.00 H ATOM 1028 N ASP A 68 43.211 -10.119 21.451 1.00 33.79 N ATOM 1029 CA ASP A 68 44.645 -9.913 21.364 1.00 33.56 C ATOM 1030 C ASP A 68 44.945 -8.473 21.005 1.00 37.48 C ATOM 1031 O ASP A 68 45.189 -8.152 19.842 1.00 38.33 O ATOM 1032 CB ASP A 68 45.268 -10.818 20.314 1.00 32.60 C ATOM 1033 CG ASP A 68 46.773 -10.830 20.398 1.00 33.12 C ATOM 1034 OD1 ASP A 68 47.415 -11.518 19.574 1.00 33.91 O ATOM 1035 OD2 ASP A 68 47.311 -10.145 21.298 1.00 32.60 O ATOM 1036 HA ASP A 68 45.071 -10.153 22.338 1.00 0.00 H ATOM 1037 HB2 ASP A 68 44.899 -11.833 20.461 1.00 0.00 H ATOM 1038 HB3 ASP A 68 44.973 -10.465 19.326 1.00 0.00 H ATOM 1039 H ASP A 68 42.585 -9.644 20.769 1.00 0.00 H ATOM 1040 N LEU A 69 44.925 -7.603 22.009 1.00 36.86 N ATOM 1041 CA LEU A 69 45.191 -6.193 21.788 1.00 35.41 C ATOM 1042 C LEU A 69 46.619 -5.971 21.283 1.00 38.05 C ATOM 1043 O LEU A 69 46.860 -5.110 20.438 1.00 40.61 O ATOM 1044 CB LEU A 69 44.957 -5.415 23.084 1.00 32.28 C ATOM 1045 CG LEU A 69 45.629 -4.044 23.245 1.00 35.83 C ATOM 1046 CD1 LEU A 69 45.035 -3.040 22.272 1.00 26.97 C ATOM 1047 CD2 LEU A 69 45.447 -3.564 24.679 1.00 32.82 C ATOM 1048 HA LEU A 69 44.507 -5.829 21.021 1.00 0.00 H ATOM 1049 HB2 LEU A 69 43.882 -5.260 23.177 1.00 0.00 H ATOM 1050 HB3 LEU A 69 45.305 -6.043 23.904 1.00 0.00 H ATOM 1051 HG LEU A 69 46.693 -4.137 23.025 1.00 0.00 H ATOM 1052 HD21 LEU A 69 44.383 -3.479 24.900 1.00 0.00 H ATOM 1053 HD22 LEU A 69 45.905 -4.280 25.361 1.00 0.00 H ATOM 1054 HD23 LEU A 69 45.923 -2.591 24.798 1.00 0.00 H ATOM 1055 HD11 LEU A 69 45.187 -3.391 21.251 1.00 0.00 H ATOM 1056 HD12 LEU A 69 43.967 -2.936 22.466 1.00 0.00 H ATOM 1057 HD13 LEU A 69 45.525 -2.075 22.403 1.00 0.00 H ATOM 1058 H LEU A 69 44.715 -7.938 22.971 1.00 0.00 H ATOM 1059 N ALA A 70 47.566 -6.750 21.792 1.00 39.05 N ATOM 1060 CA ALA A 70 48.955 -6.611 21.371 1.00 39.86 C ATOM 1061 C ALA A 70 49.066 -6.752 19.853 1.00 43.91 C ATOM 1062 O ALA A 70 49.478 -5.821 19.159 1.00 46.70 O ATOM 1063 CB ALA A 70 49.810 -7.656 22.057 1.00 35.36 C ATOM 1064 HA ALA A 70 49.311 -5.621 21.655 1.00 0.00 H ATOM 1065 HB1 ALA A 70 49.747 -7.524 23.137 1.00 0.00 H ATOM 1066 HB2 ALA A 70 49.451 -8.650 21.790 1.00 0.00 H ATOM 1067 HB3 ALA A 70 50.846 -7.544 21.736 1.00 0.00 H ATOM 1068 H ALA A 70 47.314 -7.469 22.500 1.00 0.00 H ATOM 1069 N GLU A 71 48.690 -7.919 19.344 1.00 43.04 N ATOM 1070 CA GLU A 71 48.746 -8.187 17.916 1.00 43.72 C ATOM 1071 C GLU A 71 48.143 -7.041 17.116 1.00 43.15 C ATOM 1072 O GLU A 71 48.790 -6.497 16.224 1.00 45.04 O ATOM 1073 CB GLU A 71 48.014 -9.500 17.600 1.00 45.09 C ATOM 1074 CG GLU A 71 47.227 -9.510 16.294 1.00 56.18 C ATOM 1075 CD GLU A 71 45.812 -10.058 16.463 1.00 62.58 C ATOM 1076 OE1 GLU A 71 45.627 -11.289 16.342 1.00 62.44 O ATOM 1077 OE2 GLU A 71 44.882 -9.258 16.714 1.00 66.37 O ATOM 1078 HA GLU A 71 49.793 -8.282 17.628 1.00 0.00 H ATOM 1079 HB2 GLU A 71 48.756 -10.297 17.552 1.00 0.00 H ATOM 1080 HB3 GLU A 71 47.318 -9.702 18.414 1.00 0.00 H ATOM 1081 HG2 GLU A 71 47.163 -8.489 15.917 1.00 0.00 H ATOM 1082 HG3 GLU A 71 47.758 -10.130 15.572 1.00 0.00 H ATOM 1083 H GLU A 71 48.346 -8.662 19.985 1.00 0.00 H ATOM 1084 N PHE A 72 46.906 -6.674 17.441 1.00 42.17 N ATOM 1085 CA PHE A 72 46.213 -5.594 16.737 1.00 37.40 C ATOM 1086 C PHE A 72 46.976 -4.281 16.809 1.00 33.15 C ATOM 1087 O PHE A 72 46.939 -3.490 15.877 1.00 30.88 O ATOM 1088 CB PHE A 72 44.806 -5.397 17.305 1.00 32.26 C ATOM 1089 CG PHE A 72 44.031 -4.307 16.629 1.00 32.76 C ATOM 1090 CD1 PHE A 72 43.154 -4.603 15.588 1.00 33.21 C ATOM 1091 CD2 PHE A 72 44.185 -2.978 17.017 1.00 28.76 C ATOM 1092 CE1 PHE A 72 42.438 -3.587 14.937 1.00 33.02 C ATOM 1093 CE2 PHE A 72 43.477 -1.954 16.374 1.00 27.93 C ATOM 1094 CZ PHE A 72 42.604 -2.257 15.333 1.00 23.02 C ATOM 1095 HA PHE A 72 46.148 -5.890 15.690 1.00 0.00 H ATOM 1096 HB2 PHE A 72 44.256 -6.331 17.193 1.00 0.00 H ATOM 1097 HB3 PHE A 72 44.893 -5.152 18.364 1.00 0.00 H ATOM 1098 HD2 PHE A 72 44.866 -2.731 17.832 1.00 0.00 H ATOM 1099 HE2 PHE A 72 43.610 -0.919 16.689 1.00 0.00 H ATOM 1100 HZ PHE A 72 42.053 -1.462 14.830 1.00 0.00 H ATOM 1101 HE1 PHE A 72 41.754 -3.834 14.125 1.00 0.00 H ATOM 1102 HD1 PHE A 72 43.022 -5.639 15.275 1.00 0.00 H ATOM 1103 H PHE A 72 46.419 -7.168 18.216 1.00 0.00 H ATOM 1104 N TYR A 73 47.657 -4.046 17.924 1.00 39.49 N ATOM 1105 CA TYR A 73 48.439 -2.823 18.093 1.00 41.16 C ATOM 1106 C TYR A 73 49.706 -2.925 17.246 1.00 44.53 C ATOM 1107 O TYR A 73 50.217 -1.919 16.752 1.00 47.84 O ATOM 1108 CB TYR A 73 48.816 -2.633 19.562 1.00 38.61 C ATOM 1109 CG TYR A 73 49.722 -1.451 19.811 1.00 41.50 C ATOM 1110 CD1 TYR A 73 49.250 -0.145 19.664 1.00 45.29 C ATOM 1111 CD2 TYR A 73 51.052 -1.634 20.206 1.00 41.36 C ATOM 1112 CE1 TYR A 73 50.078 0.953 19.904 1.00 42.02 C ATOM 1113 CE2 TYR A 73 51.890 -0.545 20.448 1.00 37.27 C ATOM 1114 CZ TYR A 73 51.396 0.743 20.296 1.00 45.32 C ATOM 1115 OH TYR A 73 52.223 1.819 20.528 1.00 49.70 O ATOM 1116 HA TYR A 73 47.845 -1.967 17.773 1.00 0.00 H ATOM 1117 HB3 TYR A 73 49.324 -3.534 19.906 1.00 0.00 H ATOM 1118 HB2 TYR A 73 47.901 -2.492 20.136 1.00 0.00 H ATOM 1119 HD2 TYR A 73 51.440 -2.645 20.327 1.00 0.00 H ATOM 1120 HE2 TYR A 73 52.924 -0.705 20.754 1.00 0.00 H ATOM 1121 HE1 TYR A 73 49.695 1.967 19.785 1.00 0.00 H ATOM 1122 HD1 TYR A 73 48.217 0.020 19.357 1.00 0.00 H ATOM 1123 HH TYR A 73 52.995 1.779 19.910 1.00 0.00 H ATOM 1124 H TYR A 73 47.634 -4.746 18.693 1.00 0.00 H ATOM 1125 N ARG A 74 50.209 -4.148 17.094 1.00 42.65 N ATOM 1126 CA ARG A 74 51.403 -4.402 16.298 1.00 43.18 C ATOM 1127 C ARG A 74 51.135 -3.945 14.876 1.00 41.07 C ATOM 1128 O ARG A 74 51.988 -3.340 14.234 1.00 42.61 O ATOM 1129 CB ARG A 74 51.720 -5.897 16.284 1.00 48.96 C ATOM 1130 CG ARG A 74 53.036 -6.287 16.936 1.00 56.24 C ATOM 1131 CD ARG A 74 53.243 -7.799 16.859 1.00 61.12 C ATOM 1132 NE ARG A 74 52.878 -8.483 18.097 1.00 64.78 N ATOM 1133 CZ ARG A 74 52.157 -9.600 18.163 1.00 66.88 C ATOM 1134 NH1 ARG A 74 51.884 -10.139 19.345 1.00 68.61 N ATOM 1135 NH2 ARG A 74 51.705 -10.180 17.055 1.00 62.47 N ATOM 1136 HA ARG A 74 52.248 -3.863 16.727 1.00 0.00 H ATOM 1137 HB2 ARG A 74 50.917 -6.417 16.807 1.00 0.00 H ATOM 1138 HB3 ARG A 74 51.748 -6.226 15.245 1.00 0.00 H ATOM 1139 HG2 ARG A 74 53.855 -5.786 16.420 1.00 0.00 H ATOM 1140 HG3 ARG A 74 53.024 -5.979 17.981 1.00 0.00 H ATOM 1141 HD2 ARG A 74 54.294 -7.997 16.648 1.00 0.00 H ATOM 1142 HD3 ARG A 74 52.630 -8.194 16.049 1.00 0.00 H ATOM 1143 HE ARG A 74 53.205 -8.067 18.992 1.00 0.00 H ATOM 1144 HH12 ARG A 74 51.321 -11.012 19.401 1.00 0.00 H ATOM 1145 HH11 ARG A 74 52.233 -9.689 20.215 1.00 0.00 H ATOM 1146 HH22 ARG A 74 51.143 -11.053 17.117 1.00 0.00 H ATOM 1147 HH21 ARG A 74 51.914 -9.761 16.126 1.00 0.00 H ATOM 1148 H ARG A 74 49.734 -4.948 17.558 1.00 0.00 H ATOM 1149 N GLN A 75 49.934 -4.246 14.396 1.00 40.23 N ATOM 1150 CA GLN A 75 49.520 -3.885 13.050 1.00 41.47 C ATOM 1151 C GLN A 75 49.405 -2.374 12.869 1.00 39.83 C ATOM 1152 O GLN A 75 49.906 -1.826 11.891 1.00 44.71 O ATOM 1153 CB GLN A 75 48.179 -4.550 12.717 1.00 46.13 C ATOM 1154 CG GLN A 75 47.973 -5.913 13.383 1.00 54.47 C ATOM 1155 CD GLN A 75 47.460 -6.982 12.426 1.00 57.56 C ATOM 1156 OE1 GLN A 75 47.143 -6.701 11.266 1.00 60.40 O ATOM 1157 NE2 GLN A 75 47.377 -8.219 12.912 1.00 52.06 N ATOM 1158 HA GLN A 75 50.290 -4.242 12.366 1.00 0.00 H ATOM 1159 HB2 GLN A 75 47.378 -3.886 13.041 1.00 0.00 H ATOM 1160 HB3 GLN A 75 48.123 -4.685 11.637 1.00 0.00 H ATOM 1161 HG2 GLN A 75 48.927 -6.245 13.794 1.00 0.00 H ATOM 1162 HG3 GLN A 75 47.251 -5.797 14.192 1.00 0.00 H ATOM 1163 HE22 GLN A 75 47.655 -8.411 13.896 1.00 0.00 H ATOM 1164 HE21 GLN A 75 47.034 -8.993 12.308 1.00 0.00 H ATOM 1165 H GLN A 75 49.265 -4.759 15.005 1.00 0.00 H ATOM 1166 N CYS A 76 48.750 -1.698 13.806 1.00 34.07 N ATOM 1167 CA CYS A 76 48.583 -0.250 13.707 1.00 29.55 C ATOM 1168 C CYS A 76 49.918 0.449 13.599 1.00 26.05 C ATOM 1169 O CYS A 76 50.040 1.476 12.941 1.00 23.69 O ATOM 1170 CB CYS A 76 47.833 0.283 14.918 1.00 27.88 C ATOM 1171 SG CYS A 76 46.195 -0.413 15.074 1.00 29.44 S ATOM 1172 HA CYS A 76 48.008 -0.047 12.804 1.00 0.00 H ATOM 1173 HB2 CYS A 76 47.745 1.366 14.826 1.00 0.00 H ATOM 1174 HB3 CYS A 76 48.402 0.041 15.816 1.00 0.00 H ATOM 1175 HG CYS A 76 46.290 -1.784 15.203 1.00 0.00 H ATOM 1176 H CYS A 76 48.351 -2.206 14.621 1.00 0.00 H ATOM 1177 N LYS A 77 50.920 -0.106 14.262 1.00 25.52 N ATOM 1178 CA LYS A 77 52.251 0.471 14.222 1.00 33.81 C ATOM 1179 C LYS A 77 52.866 0.159 12.854 1.00 35.62 C ATOM 1180 O LYS A 77 53.392 1.040 12.170 1.00 31.49 O ATOM 1181 CB LYS A 77 53.106 -0.131 15.337 1.00 37.81 C ATOM 1182 CG LYS A 77 53.108 0.687 16.606 1.00 43.01 C ATOM 1183 CD LYS A 77 54.063 1.860 16.486 1.00 46.76 C ATOM 1184 CE LYS A 77 54.858 2.059 17.771 1.00 51.81 C ATOM 1185 NZ LYS A 77 56.334 1.987 17.541 1.00 53.92 N ATOM 1186 HA LYS A 77 52.204 1.550 14.369 1.00 0.00 H ATOM 1187 HB2 LYS A 77 52.722 -1.125 15.568 1.00 0.00 H ATOM 1188 HB3 LYS A 77 54.132 -0.214 14.978 1.00 0.00 H ATOM 1189 HG2 LYS A 77 52.102 1.062 16.792 1.00 0.00 H ATOM 1190 HG3 LYS A 77 53.419 0.056 17.439 1.00 0.00 H ATOM 1191 HD2 LYS A 77 54.755 1.673 15.665 1.00 0.00 H ATOM 1192 HD3 LYS A 77 53.491 2.764 16.278 1.00 0.00 H ATOM 1193 HE2 LYS A 77 54.575 1.283 18.482 1.00 0.00 H ATOM 1194 HE3 LYS A 77 54.615 3.037 18.186 1.00 0.00 H ATOM 1195 HZ1 LYS A 77 56.578 1.054 17.151 1.00 0.00 H ATOM 1196 HZ2 LYS A 77 56.615 2.729 16.869 1.00 0.00 H ATOM 1197 HZ3 LYS A 77 56.832 2.128 18.443 1.00 0.00 H ATOM 1198 H LYS A 77 50.751 -0.968 14.819 1.00 0.00 H ATOM 1199 N SER A 78 52.776 -1.105 12.455 1.00 33.27 N ATOM 1200 CA SER A 78 53.321 -1.527 11.183 1.00 28.17 C ATOM 1201 C SER A 78 52.697 -0.747 10.021 1.00 25.85 C ATOM 1202 O SER A 78 53.392 -0.396 9.072 1.00 24.21 O ATOM 1203 CB SER A 78 53.141 -3.044 11.015 1.00 25.62 C ATOM 1204 OG SER A 78 51.867 -3.388 10.512 1.00 35.85 O ATOM 1205 HA SER A 78 54.388 -1.306 11.169 1.00 0.00 H ATOM 1206 HB2 SER A 78 53.274 -3.521 11.986 1.00 0.00 H ATOM 1207 HB3 SER A 78 53.900 -3.411 10.324 1.00 0.00 H ATOM 1208 HG SER A 78 51.169 -3.066 11.136 1.00 0.00 H ATOM 1209 H SER A 78 52.306 -1.802 13.067 1.00 0.00 H ATOM 1210 N VAL A 79 51.401 -0.455 10.084 1.00 26.52 N ATOM 1211 CA VAL A 79 50.785 0.310 9.001 1.00 28.82 C ATOM 1212 C VAL A 79 51.189 1.778 9.073 1.00 24.82 C ATOM 1213 O VAL A 79 50.680 2.601 8.317 1.00 29.86 O ATOM 1214 CB VAL A 79 49.243 0.218 9.005 1.00 30.29 C ATOM 1215 CG1 VAL A 79 48.806 -1.190 8.622 1.00 36.31 C ATOM 1216 CG2 VAL A 79 48.693 0.606 10.360 1.00 32.72 C ATOM 1217 HA VAL A 79 51.150 -0.135 8.075 1.00 0.00 H ATOM 1218 HB VAL A 79 48.844 0.916 8.269 1.00 0.00 H ATOM 1219 HG11 VAL A 79 49.178 -1.426 7.625 1.00 0.00 H ATOM 1220 HG12 VAL A 79 49.211 -1.903 9.340 1.00 0.00 H ATOM 1221 HG13 VAL A 79 47.717 -1.245 8.628 1.00 0.00 H ATOM 1222 HG21 VAL A 79 49.091 -0.068 11.119 1.00 0.00 H ATOM 1223 HG22 VAL A 79 48.988 1.630 10.591 1.00 0.00 H ATOM 1224 HG23 VAL A 79 47.605 0.535 10.343 1.00 0.00 H ATOM 1225 H VAL A 79 50.831 -0.768 10.896 1.00 0.00 H ATOM 1226 N GLY A 80 52.092 2.097 10.001 1.00 26.28 N ATOM 1227 CA GLY A 80 52.604 3.453 10.127 1.00 27.71 C ATOM 1228 C GLY A 80 51.832 4.528 10.871 1.00 28.65 C ATOM 1229 O GLY A 80 52.085 5.721 10.658 1.00 27.41 O ATOM 1230 HA3 GLY A 80 52.746 3.824 9.112 1.00 0.00 H ATOM 1231 HA2 GLY A 80 53.572 3.371 10.622 1.00 0.00 H ATOM 1232 H GLY A 80 52.438 1.360 10.649 1.00 0.00 H ATOM 1233 N ILE A 81 50.907 4.145 11.745 1.00 28.87 N ATOM 1234 CA ILE A 81 50.155 5.155 12.480 1.00 30.34 C ATOM 1235 C ILE A 81 51.093 5.775 13.489 1.00 32.45 C ATOM 1236 O ILE A 81 51.780 5.070 14.230 1.00 32.03 O ATOM 1237 CB ILE A 81 48.935 4.566 13.216 1.00 29.06 C ATOM 1238 CG1 ILE A 81 48.053 3.813 12.223 1.00 25.74 C ATOM 1239 CG2 ILE A 81 48.154 5.687 13.900 1.00 24.92 C ATOM 1240 CD1 ILE A 81 46.593 3.845 12.543 1.00 24.80 C ATOM 1241 HA ILE A 81 49.773 5.890 11.771 1.00 0.00 H ATOM 1242 HB ILE A 81 49.270 3.866 13.981 1.00 0.00 H ATOM 1243 HG12 ILE A 81 48.196 4.255 11.237 1.00 0.00 H ATOM 1244 HG13 ILE A 81 48.375 2.772 12.203 1.00 0.00 H ATOM 1245 HD11 ILE A 81 46.427 3.394 13.521 1.00 0.00 H ATOM 1246 HD12 ILE A 81 46.247 4.879 12.555 1.00 0.00 H ATOM 1247 HD13 ILE A 81 46.044 3.286 11.786 1.00 0.00 H ATOM 1248 HG21 ILE A 81 48.800 6.192 14.618 1.00 0.00 H ATOM 1249 HG22 ILE A 81 47.814 6.401 13.150 1.00 0.00 H ATOM 1250 HG23 ILE A 81 47.293 5.265 14.418 1.00 0.00 H ATOM 1251 H ILE A 81 50.721 3.134 11.903 1.00 0.00 H ATOM 1252 N GLN A 82 51.118 7.100 13.512 1.00 39.08 N ATOM 1253 CA GLN A 82 51.995 7.826 14.413 1.00 42.37 C ATOM 1254 C GLN A 82 51.652 7.664 15.879 1.00 42.66 C ATOM 1255 O GLN A 82 50.481 7.654 16.264 1.00 44.16 O ATOM 1256 CB GLN A 82 51.998 9.307 14.050 1.00 47.48 C ATOM 1257 CG GLN A 82 53.393 9.893 13.946 1.00 58.57 C ATOM 1258 CD GLN A 82 54.436 8.893 13.442 1.00 61.15 C ATOM 1259 OE1 GLN A 82 55.517 8.766 14.022 1.00 55.30 O ATOM 1260 NE2 GLN A 82 54.114 8.186 12.358 1.00 61.62 N ATOM 1261 HA GLN A 82 52.986 7.391 14.282 1.00 0.00 H ATOM 1262 HB2 GLN A 82 51.498 9.430 13.089 1.00 0.00 H ATOM 1263 HB3 GLN A 82 51.449 9.853 14.817 1.00 0.00 H ATOM 1264 HG2 GLN A 82 53.363 10.738 13.258 1.00 0.00 H ATOM 1265 HG3 GLN A 82 53.696 10.241 14.933 1.00 0.00 H ATOM 1266 HE22 GLN A 82 53.190 8.326 11.901 1.00 0.00 H ATOM 1267 HE21 GLN A 82 54.787 7.494 11.969 1.00 0.00 H ATOM 1268 H GLN A 82 50.496 7.631 12.870 1.00 0.00 H ATOM 1269 N GLU A 83 52.694 7.535 16.693 1.00 39.55 N ATOM 1270 CA GLU A 83 52.542 7.385 18.131 1.00 38.00 C ATOM 1271 C GLU A 83 52.748 8.734 18.815 1.00 38.18 C ATOM 1272 O GLU A 83 53.380 8.812 19.864 1.00 33.42 O ATOM 1273 CB GLU A 83 53.568 6.391 18.660 1.00 36.81 C ATOM 1274 CG GLU A 83 52.993 5.048 19.034 1.00 41.80 C ATOM 1275 CD GLU A 83 53.580 4.522 20.323 1.00 43.09 C ATOM 1276 OE1 GLU A 83 53.268 5.091 21.390 1.00 49.97 O ATOM 1277 OE2 GLU A 83 54.356 3.546 20.270 1.00 43.34 O ATOM 1278 HA GLU A 83 51.538 7.017 18.344 1.00 0.00 H ATOM 1279 HB2 GLU A 83 54.324 6.237 17.890 1.00 0.00 H ATOM 1280 HB3 GLU A 83 54.036 6.821 19.545 1.00 0.00 H ATOM 1281 HG2 GLU A 83 51.914 5.147 19.153 1.00 0.00 H ATOM 1282 HG3 GLU A 83 53.206 4.338 18.234 1.00 0.00 H ATOM 1283 H GLU A 83 53.652 7.542 16.287 1.00 0.00 H ATOM 1284 N THR A 84 52.219 9.793 18.209 1.00 38.70 N ATOM 1285 CA THR A 84 52.348 11.138 18.760 1.00 43.68 C ATOM 1286 C THR A 84 51.206 11.420 19.742 1.00 41.88 C ATOM 1287 O THR A 84 50.357 10.565 19.978 1.00 45.11 O ATOM 1288 CB THR A 84 52.348 12.196 17.616 1.00 44.92 C ATOM 1289 OG1 THR A 84 52.406 13.517 18.169 1.00 47.12 O ATOM 1290 CG2 THR A 84 51.098 12.055 16.754 1.00 48.30 C ATOM 1291 HA THR A 84 53.295 11.205 19.295 1.00 0.00 H ATOM 1292 HB THR A 84 53.225 12.027 16.992 1.00 0.00 H ATOM 1293 HG1 THR A 84 52.406 14.181 17.435 1.00 0.00 H ATOM 1294 HG23 THR A 84 51.058 11.049 16.336 1.00 0.00 H ATOM 1295 HG21 THR A 84 50.214 12.230 17.367 1.00 0.00 H ATOM 1296 HG22 THR A 84 51.132 12.785 15.945 1.00 0.00 H ATOM 1297 H THR A 84 51.699 9.659 17.318 1.00 0.00 H ATOM 1298 N SER A 85 51.192 12.611 20.323 1.00 43.62 N ATOM 1299 CA SER A 85 50.145 12.976 21.269 1.00 46.33 C ATOM 1300 C SER A 85 49.342 14.178 20.778 1.00 46.25 C ATOM 1301 O SER A 85 48.499 14.710 21.504 1.00 43.93 O ATOM 1302 CB SER A 85 50.760 13.299 22.629 1.00 48.47 C ATOM 1303 OG SER A 85 50.104 12.591 23.666 1.00 57.47 O ATOM 1304 HA SER A 85 49.469 12.126 21.360 1.00 0.00 H ATOM 1305 HB2 SER A 85 50.670 14.369 22.816 1.00 0.00 H ATOM 1306 HB3 SER A 85 51.814 13.021 22.619 1.00 0.00 H ATOM 1307 HG SER A 85 50.521 12.818 24.534 1.00 0.00 H ATOM 1308 H SER A 85 51.941 13.297 20.100 1.00 0.00 H ATOM 1309 N SER A 86 49.619 14.601 19.545 1.00 48.75 N ATOM 1310 CA SER A 86 48.938 15.738 18.924 1.00 41.69 C ATOM 1311 C SER A 86 48.515 15.388 17.501 1.00 39.78 C ATOM 1312 O SER A 86 49.236 14.692 16.782 1.00 37.34 O ATOM 1313 CB SER A 86 49.864 16.952 18.889 1.00 36.32 C ATOM 1314 OG SER A 86 49.891 17.603 20.144 1.00 38.89 O ATOM 1315 HA SER A 86 48.054 15.973 19.516 1.00 0.00 H ATOM 1316 HB2 SER A 86 49.508 17.651 18.132 1.00 0.00 H ATOM 1317 HB3 SER A 86 50.872 16.625 18.635 1.00 0.00 H ATOM 1318 HG SER A 86 50.497 18.385 20.096 1.00 0.00 H ATOM 1319 H SER A 86 50.351 14.102 19.000 1.00 0.00 H ATOM 1320 N GLY A 87 47.340 15.865 17.103 1.00 38.42 N ATOM 1321 CA GLY A 87 46.857 15.598 15.760 1.00 39.81 C ATOM 1322 C GLY A 87 46.261 14.220 15.538 1.00 37.55 C ATOM 1323 O GLY A 87 46.270 13.374 16.428 1.00 38.89 O ATOM 1324 HA3 GLY A 87 47.695 15.716 15.073 1.00 0.00 H ATOM 1325 HA2 GLY A 87 46.090 16.337 15.526 1.00 0.00 H ATOM 1326 H GLY A 87 46.764 16.432 17.757 1.00 0.00 H ATOM 1327 N TYR A 88 45.758 13.993 14.328 1.00 37.24 N ATOM 1328 CA TYR A 88 45.130 12.726 13.968 1.00 35.03 C ATOM 1329 C TYR A 88 45.430 12.345 12.508 1.00 34.20 C ATOM 1330 O TYR A 88 45.567 13.216 11.644 1.00 35.10 O ATOM 1331 CB TYR A 88 43.620 12.848 14.165 1.00 33.30 C ATOM 1332 CG TYR A 88 43.019 13.990 13.383 1.00 30.93 C ATOM 1333 CD1 TYR A 88 43.186 15.313 13.798 1.00 35.57 C ATOM 1334 CD2 TYR A 88 42.330 13.755 12.197 1.00 28.63 C ATOM 1335 CE1 TYR A 88 42.685 16.376 13.043 1.00 31.88 C ATOM 1336 CE2 TYR A 88 41.824 14.808 11.433 1.00 32.12 C ATOM 1337 CZ TYR A 88 42.007 16.112 11.857 1.00 33.95 C ATOM 1338 OH TYR A 88 41.534 17.141 11.073 1.00 25.48 O ATOM 1339 HA TYR A 88 45.536 11.943 14.609 1.00 0.00 H ATOM 1340 HB3 TYR A 88 43.418 13.007 15.224 1.00 0.00 H ATOM 1341 HB2 TYR A 88 43.150 11.919 13.842 1.00 0.00 H ATOM 1342 HD2 TYR A 88 42.183 12.729 11.858 1.00 0.00 H ATOM 1343 HE2 TYR A 88 41.287 14.604 10.507 1.00 0.00 H ATOM 1344 HE1 TYR A 88 42.824 17.403 13.380 1.00 0.00 H ATOM 1345 HD1 TYR A 88 43.717 15.520 14.727 1.00 0.00 H ATOM 1346 HH TYR A 88 41.740 18.007 11.507 1.00 0.00 H ATOM 1347 H TYR A 88 45.814 14.746 13.613 1.00 0.00 H ATOM 1348 N PRO A 89 45.513 11.035 12.211 1.00 29.30 N ATOM 1349 CA PRO A 89 45.345 9.910 13.139 1.00 27.54 C ATOM 1350 C PRO A 89 46.608 9.530 13.920 1.00 30.92 C ATOM 1351 O PRO A 89 47.731 9.656 13.419 1.00 31.91 O ATOM 1352 CB PRO A 89 44.862 8.770 12.239 1.00 20.50 C ATOM 1353 CG PRO A 89 45.089 9.242 10.813 1.00 22.09 C ATOM 1354 CD PRO A 89 45.782 10.564 10.846 1.00 23.01 C ATOM 1355 HA PRO A 89 44.646 10.164 13.936 1.00 0.00 H ATOM 1356 HD3 PRO A 89 46.852 10.452 10.672 1.00 0.00 H ATOM 1357 HD2 PRO A 89 45.364 11.246 10.105 1.00 0.00 H ATOM 1358 HG3 PRO A 89 44.131 9.343 10.304 1.00 0.00 H ATOM 1359 HG2 PRO A 89 45.706 8.518 10.281 1.00 0.00 H ATOM 1360 HB2 PRO A 89 45.435 7.863 12.434 1.00 0.00 H ATOM 1361 HB3 PRO A 89 43.804 8.574 12.410 1.00 0.00 H ATOM 1362 N ARG A 90 46.412 9.050 15.146 1.00 29.17 N ATOM 1363 CA ARG A 90 47.521 8.659 16.004 1.00 22.90 C ATOM 1364 C ARG A 90 47.127 7.501 16.904 1.00 23.65 C ATOM 1365 O ARG A 90 45.968 7.105 16.949 1.00 20.98 O ATOM 1366 CB ARG A 90 47.941 9.840 16.872 1.00 21.32 C ATOM 1367 CG ARG A 90 46.772 10.522 17.575 1.00 29.72 C ATOM 1368 CD ARG A 90 47.217 11.299 18.809 1.00 24.13 C ATOM 1369 NE ARG A 90 46.132 11.503 19.773 1.00 25.15 N ATOM 1370 CZ ARG A 90 45.240 12.490 19.702 1.00 32.71 C ATOM 1371 NH1 ARG A 90 44.290 12.607 20.619 1.00 33.14 N ATOM 1372 NH2 ARG A 90 45.287 13.360 18.705 1.00 42.99 N ATOM 1373 HA ARG A 90 48.350 8.347 15.368 1.00 0.00 H ATOM 1374 HB2 ARG A 90 48.638 9.482 17.629 1.00 0.00 H ATOM 1375 HB3 ARG A 90 48.440 10.574 16.239 1.00 0.00 H ATOM 1376 HG2 ARG A 90 46.297 11.212 16.878 1.00 0.00 H ATOM 1377 HG3 ARG A 90 46.053 9.762 17.879 1.00 0.00 H ATOM 1378 HD2 ARG A 90 47.590 12.273 18.492 1.00 0.00 H ATOM 1379 HD3 ARG A 90 48.019 10.746 19.298 1.00 0.00 H ATOM 1380 HE ARG A 90 46.053 10.833 20.565 1.00 0.00 H ATOM 1381 HH12 ARG A 90 43.598 13.381 20.555 1.00 0.00 H ATOM 1382 HH11 ARG A 90 44.237 11.925 21.402 1.00 0.00 H ATOM 1383 HH22 ARG A 90 44.589 14.129 18.653 1.00 0.00 H ATOM 1384 HH21 ARG A 90 46.022 13.274 17.974 1.00 0.00 H ATOM 1385 H ARG A 90 45.439 8.952 15.501 1.00 0.00 H ATOM 1386 N ILE A 91 48.106 6.959 17.620 1.00 27.66 N ATOM 1387 CA ILE A 91 47.869 5.854 18.546 1.00 30.75 C ATOM 1388 C ILE A 91 48.700 6.049 19.796 1.00 33.03 C ATOM 1389 O ILE A 91 49.761 6.675 19.767 1.00 34.78 O ATOM 1390 CB ILE A 91 48.283 4.471 17.973 1.00 31.70 C ATOM 1391 CG1 ILE A 91 49.630 4.588 17.252 1.00 35.84 C ATOM 1392 CG2 ILE A 91 47.204 3.928 17.073 1.00 28.76 C ATOM 1393 CD1 ILE A 91 50.293 3.251 16.969 1.00 33.14 C ATOM 1394 HA ILE A 91 46.796 5.860 18.740 1.00 0.00 H ATOM 1395 HB ILE A 91 48.404 3.761 18.791 1.00 0.00 H ATOM 1396 HG12 ILE A 91 49.469 5.099 16.303 1.00 0.00 H ATOM 1397 HG13 ILE A 91 50.302 5.180 17.873 1.00 0.00 H ATOM 1398 HD11 ILE A 91 50.473 2.730 17.909 1.00 0.00 H ATOM 1399 HD12 ILE A 91 49.639 2.649 16.338 1.00 0.00 H ATOM 1400 HD13 ILE A 91 51.241 3.418 16.457 1.00 0.00 H ATOM 1401 HG21 ILE A 91 46.281 3.814 17.642 1.00 0.00 H ATOM 1402 HG22 ILE A 91 47.040 4.619 16.247 1.00 0.00 H ATOM 1403 HG23 ILE A 91 47.513 2.959 16.682 1.00 0.00 H ATOM 1404 H ILE A 91 49.071 7.333 17.518 1.00 0.00 H ATOM 1405 N HIS A 92 48.201 5.498 20.894 1.00 36.94 N ATOM 1406 CA HIS A 92 48.883 5.547 22.175 1.00 33.98 C ATOM 1407 C HIS A 92 48.986 4.099 22.627 1.00 32.08 C ATOM 1408 O HIS A 92 47.991 3.378 22.645 1.00 32.20 O ATOM 1409 CB HIS A 92 48.081 6.357 23.194 1.00 34.07 C ATOM 1410 CG HIS A 92 48.837 6.649 24.453 1.00 41.20 C ATOM 1411 ND1 HIS A 92 49.296 7.910 24.771 1.00 51.32 N ATOM 1412 CD2 HIS A 92 49.228 5.840 25.466 1.00 40.82 C ATOM 1413 CE1 HIS A 92 49.937 7.864 25.925 1.00 49.88 C ATOM 1414 NE2 HIS A 92 49.911 6.620 26.367 1.00 44.40 N ATOM 1415 HA HIS A 92 49.858 6.027 22.089 1.00 0.00 H ATOM 1416 HB2 HIS A 92 47.796 7.304 22.735 1.00 0.00 H ATOM 1417 HB3 HIS A 92 47.184 5.795 23.453 1.00 0.00 H ATOM 1418 HD2 HIS A 92 49.037 4.770 25.551 1.00 0.00 H ATOM 1419 HE1 HIS A 92 50.407 8.709 26.427 1.00 0.00 H ATOM 1420 H HIS A 92 47.284 5.011 20.835 1.00 0.00 H ATOM 1421 N ALA A 93 50.197 3.675 22.971 1.00 33.63 N ATOM 1422 CA ALA A 93 50.451 2.306 23.407 1.00 29.58 C ATOM 1423 C ALA A 93 49.568 1.887 24.573 1.00 23.00 C ATOM 1424 O ALA A 93 49.150 2.720 25.374 1.00 21.57 O ATOM 1425 CB ALA A 93 51.923 2.152 23.786 1.00 30.26 C ATOM 1426 HA ALA A 93 50.207 1.650 22.572 1.00 0.00 H ATOM 1427 HB1 ALA A 93 52.545 2.378 22.920 1.00 0.00 H ATOM 1428 HB2 ALA A 93 52.162 2.841 24.596 1.00 0.00 H ATOM 1429 HB3 ALA A 93 52.108 1.128 24.111 1.00 0.00 H ATOM 1430 H ALA A 93 50.993 4.343 22.928 1.00 0.00 H ATOM 1431 N PRO A 94 49.279 0.581 24.682 1.00 20.91 N ATOM 1432 CA PRO A 94 48.444 0.001 25.746 1.00 25.37 C ATOM 1433 C PRO A 94 48.940 0.315 27.158 1.00 23.48 C ATOM 1434 O PRO A 94 50.016 -0.104 27.558 1.00 25.91 O ATOM 1435 CB PRO A 94 48.473 -1.504 25.460 1.00 20.24 C ATOM 1436 CG PRO A 94 48.865 -1.613 24.025 1.00 17.75 C ATOM 1437 CD PRO A 94 49.756 -0.445 23.740 1.00 19.21 C ATOM 1438 HA PRO A 94 47.439 0.423 25.731 1.00 0.00 H ATOM 1439 HD3 PRO A 94 50.800 -0.694 23.929 1.00 0.00 H ATOM 1440 HD2 PRO A 94 49.645 -0.111 22.708 1.00 0.00 H ATOM 1441 HG3 PRO A 94 47.981 -1.577 23.389 1.00 0.00 H ATOM 1442 HG2 PRO A 94 49.399 -2.547 23.850 1.00 0.00 H ATOM 1443 HB2 PRO A 94 49.204 -2.002 26.097 1.00 0.00 H ATOM 1444 HB3 PRO A 94 47.490 -1.945 25.624 1.00 0.00 H ATOM 1445 N GLU A 95 48.137 1.047 27.911 1.00 30.20 N ATOM 1446 CA GLU A 95 48.498 1.425 29.266 1.00 38.42 C ATOM 1447 C GLU A 95 47.436 0.925 30.225 1.00 41.56 C ATOM 1448 O GLU A 95 46.250 0.931 29.896 1.00 43.90 O ATOM 1449 CB GLU A 95 48.586 2.949 29.373 1.00 43.53 C ATOM 1450 CG GLU A 95 49.997 3.506 29.461 1.00 55.72 C ATOM 1451 CD GLU A 95 50.015 5.028 29.475 1.00 61.75 C ATOM 1452 OE1 GLU A 95 48.949 5.634 29.725 1.00 62.99 O ATOM 1453 OE2 GLU A 95 51.093 5.615 29.234 1.00 64.86 O ATOM 1454 HA GLU A 95 49.464 0.986 29.516 1.00 0.00 H ATOM 1455 HB2 GLU A 95 48.107 3.378 28.493 1.00 0.00 H ATOM 1456 HB3 GLU A 95 48.044 3.257 30.267 1.00 0.00 H ATOM 1457 HG2 GLU A 95 50.462 3.141 30.377 1.00 0.00 H ATOM 1458 HG3 GLU A 95 50.567 3.156 28.600 1.00 0.00 H ATOM 1459 H GLU A 95 47.224 1.360 27.523 1.00 0.00 H ATOM 1460 N LEU A 96 47.862 0.494 31.409 1.00 45.92 N ATOM 1461 CA LEU A 96 46.930 0.013 32.423 1.00 46.58 C ATOM 1462 C LEU A 96 46.094 1.212 32.847 1.00 45.10 C ATOM 1463 O LEU A 96 46.626 2.202 33.351 1.00 45.77 O ATOM 1464 CB LEU A 96 47.692 -0.555 33.623 1.00 49.36 C ATOM 1465 CG LEU A 96 46.829 -1.177 34.725 1.00 48.44 C ATOM 1466 CD1 LEU A 96 46.023 -2.332 34.163 1.00 48.59 C ATOM 1467 CD2 LEU A 96 47.721 -1.644 35.860 1.00 44.87 C ATOM 1468 HA LEU A 96 46.301 -0.786 32.030 1.00 0.00 H ATOM 1469 HB2 LEU A 96 48.371 -1.324 33.255 1.00 0.00 H ATOM 1470 HB3 LEU A 96 48.270 0.256 34.067 1.00 0.00 H ATOM 1471 HG LEU A 96 46.133 -0.432 35.109 1.00 0.00 H ATOM 1472 HD21 LEU A 96 48.425 -2.387 35.485 1.00 0.00 H ATOM 1473 HD22 LEU A 96 48.270 -0.793 36.263 1.00 0.00 H ATOM 1474 HD23 LEU A 96 47.107 -2.087 36.644 1.00 0.00 H ATOM 1475 HD11 LEU A 96 45.377 -1.968 33.364 1.00 0.00 H ATOM 1476 HD12 LEU A 96 46.701 -3.088 33.768 1.00 0.00 H ATOM 1477 HD13 LEU A 96 45.413 -2.767 34.955 1.00 0.00 H ATOM 1478 H LEU A 96 48.881 0.500 31.616 1.00 0.00 H ATOM 1479 N GLN A 97 44.786 1.117 32.635 1.00 43.46 N ATOM 1480 CA GLN A 97 43.877 2.206 32.949 1.00 41.82 C ATOM 1481 C GLN A 97 43.434 2.265 34.400 1.00 44.96 C ATOM 1482 O GLN A 97 43.340 1.243 35.082 1.00 43.68 O ATOM 1483 CB GLN A 97 42.650 2.126 32.039 1.00 39.04 C ATOM 1484 CG GLN A 97 42.942 2.396 30.569 1.00 33.04 C ATOM 1485 CD GLN A 97 43.669 3.709 30.348 1.00 28.47 C ATOM 1486 OE1 GLN A 97 43.151 4.787 30.657 1.00 24.32 O ATOM 1487 NE2 GLN A 97 44.882 3.624 29.809 1.00 29.27 N ATOM 1488 HA GLN A 97 44.440 3.123 32.775 1.00 0.00 H ATOM 1489 HB2 GLN A 97 42.225 1.126 32.125 1.00 0.00 H ATOM 1490 HB3 GLN A 97 41.921 2.860 32.383 1.00 0.00 H ATOM 1491 HG2 GLN A 97 43.559 1.586 30.181 1.00 0.00 H ATOM 1492 HG3 GLN A 97 41.998 2.424 30.025 1.00 0.00 H ATOM 1493 HE22 GLN A 97 45.278 2.694 29.565 1.00 0.00 H ATOM 1494 HE21 GLN A 97 45.434 4.487 29.632 1.00 0.00 H ATOM 1495 H GLN A 97 44.402 0.238 32.233 1.00 0.00 H ATOM 1496 N GLU A 98 43.150 3.481 34.857 1.00 46.56 N ATOM 1497 CA GLU A 98 42.704 3.725 36.221 1.00 49.82 C ATOM 1498 C GLU A 98 41.632 2.742 36.688 1.00 49.14 C ATOM 1499 O GLU A 98 41.475 2.521 37.886 1.00 52.95 O ATOM 1500 CB GLU A 98 42.166 5.151 36.342 1.00 50.01 C ATOM 1501 CG GLU A 98 42.206 5.702 37.751 1.00 64.35 C ATOM 1502 CD GLU A 98 43.300 6.734 37.932 1.00 69.10 C ATOM 1503 OE1 GLU A 98 43.470 7.579 37.025 1.00 71.33 O ATOM 1504 OE2 GLU A 98 43.988 6.699 38.977 1.00 69.85 O ATOM 1505 HA GLU A 98 43.573 3.584 36.863 1.00 0.00 H ATOM 1506 HB2 GLU A 98 42.764 5.800 35.702 1.00 0.00 H ATOM 1507 HB3 GLU A 98 41.131 5.158 35.999 1.00 0.00 H ATOM 1508 HG2 GLU A 98 41.245 6.166 37.974 1.00 0.00 H ATOM 1509 HG3 GLU A 98 42.381 4.880 38.445 1.00 0.00 H ATOM 1510 H GLU A 98 43.251 4.291 34.213 1.00 0.00 H ATOM 1511 N TRP A 99 40.893 2.158 35.749 1.00 48.43 N ATOM 1512 CA TRP A 99 39.840 1.208 36.101 1.00 47.91 C ATOM 1513 C TRP A 99 40.318 -0.246 36.079 1.00 50.61 C ATOM 1514 O TRP A 99 39.504 -1.176 36.110 1.00 50.16 O ATOM 1515 CB TRP A 99 38.630 1.377 35.177 1.00 39.78 C ATOM 1516 CG TRP A 99 38.986 1.686 33.767 1.00 42.87 C ATOM 1517 CD1 TRP A 99 39.301 2.911 33.245 1.00 43.52 C ATOM 1518 CD2 TRP A 99 39.071 0.753 32.685 1.00 47.14 C ATOM 1519 NE1 TRP A 99 39.577 2.797 31.899 1.00 42.52 N ATOM 1520 CE2 TRP A 99 39.443 1.483 31.530 1.00 46.60 C ATOM 1521 CE3 TRP A 99 38.870 -0.634 32.577 1.00 44.35 C ATOM 1522 CZ2 TRP A 99 39.617 0.871 30.279 1.00 47.08 C ATOM 1523 CZ3 TRP A 99 39.044 -1.243 31.332 1.00 44.54 C ATOM 1524 CH2 TRP A 99 39.414 -0.488 30.201 1.00 47.85 C ATOM 1525 HA TRP A 99 39.550 1.434 37.127 1.00 0.00 H ATOM 1526 HB2 TRP A 99 38.055 0.451 35.191 1.00 0.00 H ATOM 1527 HB3 TRP A 99 38.015 2.190 35.562 1.00 0.00 H ATOM 1528 HE1 TRP A 99 39.843 3.579 31.267 1.00 0.00 H ATOM 1529 HD1 TRP A 99 39.330 3.842 33.811 1.00 0.00 H ATOM 1530 HZ2 TRP A 99 39.902 1.451 29.401 1.00 0.00 H ATOM 1531 HH2 TRP A 99 39.542 -0.992 29.243 1.00 0.00 H ATOM 1532 HZ3 TRP A 99 38.891 -2.318 31.234 1.00 0.00 H ATOM 1533 HE3 TRP A 99 38.584 -1.223 33.448 1.00 0.00 H ATOM 1534 H TRP A 99 41.067 2.381 34.748 1.00 0.00 H ATOM 1535 N GLY A 100 41.638 -0.432 36.021 1.00 52.39 N ATOM 1536 CA GLY A 100 42.216 -1.769 36.038 1.00 52.44 C ATOM 1537 C GLY A 100 42.309 -2.544 34.737 1.00 49.11 C ATOM 1538 O GLY A 100 42.738 -3.698 34.733 1.00 50.91 O ATOM 1539 HA3 GLY A 100 41.618 -2.368 36.725 1.00 0.00 H ATOM 1540 HA2 GLY A 100 43.230 -1.675 36.428 1.00 0.00 H ATOM 1541 H GLY A 100 42.267 0.394 35.962 1.00 0.00 H ATOM 1542 N GLY A 101 41.910 -1.931 33.632 1.00 46.79 N ATOM 1543 CA GLY A 101 41.984 -2.625 32.362 1.00 42.16 C ATOM 1544 C GLY A 101 43.091 -2.044 31.511 1.00 38.34 C ATOM 1545 O GLY A 101 43.499 -0.898 31.718 1.00 35.80 O ATOM 1546 HA3 GLY A 101 41.034 -2.519 31.838 1.00 0.00 H ATOM 1547 HA2 GLY A 101 42.184 -3.682 32.540 1.00 0.00 H ATOM 1548 H GLY A 101 41.546 -0.958 33.676 1.00 0.00 H ATOM 1549 N THR A 102 43.594 -2.832 30.566 1.00 34.30 N ATOM 1550 CA THR A 102 44.648 -2.356 29.678 1.00 36.31 C ATOM 1551 C THR A 102 43.982 -1.833 28.404 1.00 32.33 C ATOM 1552 O THR A 102 43.251 -2.567 27.731 1.00 30.64 O ATOM 1553 CB THR A 102 45.641 -3.484 29.316 1.00 36.51 C ATOM 1554 OG1 THR A 102 46.150 -4.084 30.515 1.00 43.98 O ATOM 1555 CG2 THR A 102 46.809 -2.925 28.519 1.00 35.78 C ATOM 1556 HA THR A 102 45.214 -1.572 30.181 1.00 0.00 H ATOM 1557 HB THR A 102 45.114 -4.228 28.718 1.00 0.00 H ATOM 1558 HG1 THR A 102 46.785 -4.805 30.278 1.00 0.00 H ATOM 1559 HG23 THR A 102 46.436 -2.465 27.604 1.00 0.00 H ATOM 1560 HG21 THR A 102 47.330 -2.177 29.117 1.00 0.00 H ATOM 1561 HG22 THR A 102 47.496 -3.733 28.267 1.00 0.00 H ATOM 1562 H THR A 102 43.231 -3.801 30.459 1.00 0.00 H ATOM 1563 N MET A 103 44.222 -0.564 28.083 1.00 27.21 N ATOM 1564 CA MET A 103 43.607 0.028 26.907 1.00 31.31 C ATOM 1565 C MET A 103 44.524 0.948 26.124 1.00 32.14 C ATOM 1566 O MET A 103 45.144 1.853 26.682 1.00 35.98 O ATOM 1567 CB MET A 103 42.340 0.794 27.306 1.00 30.68 C ATOM 1568 CG MET A 103 41.931 1.907 26.340 1.00 29.47 C ATOM 1569 SD MET A 103 41.274 3.355 27.209 1.00 25.07 S ATOM 1570 CE MET A 103 41.577 4.630 26.034 1.00 30.90 C ATOM 1571 HA MET A 103 43.367 -0.806 26.247 1.00 0.00 H ATOM 1572 HB2 MET A 103 41.518 0.081 27.369 1.00 0.00 H ATOM 1573 HB3 MET A 103 42.508 1.240 28.286 1.00 0.00 H ATOM 1574 HG2 MET A 103 41.165 1.524 25.666 1.00 0.00 H ATOM 1575 HG3 MET A 103 42.804 2.210 25.762 1.00 0.00 H ATOM 1576 HE1 MET A 103 42.647 4.693 25.836 1.00 0.00 H ATOM 1577 HE2 MET A 103 41.047 4.403 25.109 1.00 0.00 H ATOM 1578 HE3 MET A 103 41.224 5.581 26.433 1.00 0.00 H ATOM 1579 H MET A 103 44.854 0.008 28.678 1.00 0.00 H ATOM 1580 N ALA A 104 44.586 0.705 24.818 1.00 29.83 N ATOM 1581 CA ALA A 104 45.389 1.495 23.895 1.00 23.87 C ATOM 1582 C ALA A 104 44.430 2.424 23.157 1.00 20.14 C ATOM 1583 O ALA A 104 43.277 2.062 22.930 1.00 18.01 O ATOM 1584 CB ALA A 104 46.098 0.575 22.903 1.00 24.95 C ATOM 1585 HA ALA A 104 46.151 2.065 24.427 1.00 0.00 H ATOM 1586 HB1 ALA A 104 46.746 -0.112 23.446 1.00 0.00 H ATOM 1587 HB2 ALA A 104 45.356 0.009 22.340 1.00 0.00 H ATOM 1588 HB3 ALA A 104 46.696 1.175 22.217 1.00 0.00 H ATOM 1589 H ALA A 104 44.033 -0.089 24.437 1.00 0.00 H ATOM 1590 N ALA A 105 44.897 3.610 22.781 1.00 14.78 N ATOM 1591 CA ALA A 105 44.034 4.553 22.086 1.00 14.74 C ATOM 1592 C ALA A 105 44.303 4.658 20.586 1.00 14.25 C ATOM 1593 O ALA A 105 45.445 4.590 20.132 1.00 14.80 O ATOM 1594 CB ALA A 105 44.151 5.923 22.730 1.00 13.55 C ATOM 1595 HA ALA A 105 43.020 4.166 22.182 1.00 0.00 H ATOM 1596 HB1 ALA A 105 43.849 5.859 23.775 1.00 0.00 H ATOM 1597 HB2 ALA A 105 45.184 6.265 22.669 1.00 0.00 H ATOM 1598 HB3 ALA A 105 43.503 6.626 22.206 1.00 0.00 H ATOM 1599 H ALA A 105 45.884 3.865 22.985 1.00 0.00 H ATOM 1600 N LEU A 106 43.237 4.814 19.811 1.00 17.71 N ATOM 1601 CA LEU A 106 43.370 4.962 18.368 1.00 15.87 C ATOM 1602 C LEU A 106 42.435 6.069 17.920 1.00 18.74 C ATOM 1603 O LEU A 106 41.247 6.072 18.270 1.00 21.69 O ATOM 1604 CB LEU A 106 43.002 3.660 17.650 1.00 15.58 C ATOM 1605 CG LEU A 106 42.994 3.718 16.119 1.00 17.61 C ATOM 1606 CD1 LEU A 106 44.354 4.169 15.591 1.00 5.71 C ATOM 1607 CD2 LEU A 106 42.642 2.349 15.572 1.00 10.16 C ATOM 1608 HA LEU A 106 44.404 5.204 18.121 1.00 0.00 H ATOM 1609 HB2 LEU A 106 43.720 2.898 17.952 1.00 0.00 H ATOM 1610 HB3 LEU A 106 42.005 3.368 17.978 1.00 0.00 H ATOM 1611 HG LEU A 106 42.249 4.443 15.791 1.00 0.00 H ATOM 1612 HD21 LEU A 106 43.383 1.623 15.908 1.00 0.00 H ATOM 1613 HD22 LEU A 106 41.656 2.057 15.933 1.00 0.00 H ATOM 1614 HD23 LEU A 106 42.635 2.385 14.483 1.00 0.00 H ATOM 1615 HD11 LEU A 106 44.583 5.161 15.981 1.00 0.00 H ATOM 1616 HD12 LEU A 106 45.120 3.464 15.914 1.00 0.00 H ATOM 1617 HD13 LEU A 106 44.326 4.203 14.502 1.00 0.00 H ATOM 1618 H LEU A 106 42.290 4.831 20.241 1.00 0.00 H ATOM 1619 N VAL A 107 42.974 7.015 17.159 1.00 17.00 N ATOM 1620 CA VAL A 107 42.184 8.127 16.639 1.00 13.45 C ATOM 1621 C VAL A 107 42.176 8.075 15.108 1.00 16.17 C ATOM 1622 O VAL A 107 43.178 8.401 14.478 1.00 16.29 O ATOM 1623 CB VAL A 107 42.766 9.476 17.093 1.00 17.71 C ATOM 1624 CG1 VAL A 107 42.003 10.627 16.430 1.00 19.65 C ATOM 1625 CG2 VAL A 107 42.684 9.588 18.611 1.00 2.80 C ATOM 1626 HA VAL A 107 41.169 8.036 17.025 1.00 0.00 H ATOM 1627 HB VAL A 107 43.812 9.535 16.792 1.00 0.00 H ATOM 1628 HG11 VAL A 107 42.092 10.544 15.347 1.00 0.00 H ATOM 1629 HG12 VAL A 107 40.952 10.576 16.714 1.00 0.00 H ATOM 1630 HG13 VAL A 107 42.424 11.577 16.759 1.00 0.00 H ATOM 1631 HG21 VAL A 107 41.642 9.521 18.923 1.00 0.00 H ATOM 1632 HG22 VAL A 107 43.254 8.777 19.065 1.00 0.00 H ATOM 1633 HG23 VAL A 107 43.098 10.546 18.926 1.00 0.00 H ATOM 1634 H VAL A 107 43.986 6.962 16.927 1.00 0.00 H ATOM 1635 N ASP A 108 41.042 7.667 14.523 1.00 15.69 N ATOM 1636 CA ASP A 108 40.905 7.550 13.073 1.00 8.54 C ATOM 1637 C ASP A 108 41.079 8.887 12.349 1.00 13.10 C ATOM 1638 O ASP A 108 41.122 9.938 12.989 1.00 10.38 O ATOM 1639 CB ASP A 108 39.573 6.847 12.722 1.00 3.37 C ATOM 1640 CG ASP A 108 38.394 7.807 12.505 1.00 13.73 C ATOM 1641 OD1 ASP A 108 38.415 8.991 12.919 1.00 4.58 O ATOM 1642 OD2 ASP A 108 37.407 7.339 11.904 1.00 12.70 O ATOM 1643 HA ASP A 108 41.721 6.927 12.708 1.00 0.00 H ATOM 1644 HB2 ASP A 108 39.720 6.273 11.807 1.00 0.00 H ATOM 1645 HB3 ASP A 108 39.318 6.170 13.537 1.00 0.00 H ATOM 1646 H ASP A 108 40.228 7.424 15.124 1.00 0.00 H ATOM 1647 N PRO A 109 41.180 8.863 11.001 1.00 15.66 N ATOM 1648 CA PRO A 109 41.371 10.082 10.206 1.00 15.87 C ATOM 1649 C PRO A 109 40.423 11.219 10.505 1.00 20.40 C ATOM 1650 O PRO A 109 40.732 12.384 10.227 1.00 22.52 O ATOM 1651 CB PRO A 109 41.234 9.611 8.757 1.00 11.58 C ATOM 1652 CG PRO A 109 41.473 8.173 8.789 1.00 8.66 C ATOM 1653 CD PRO A 109 41.076 7.666 10.144 1.00 13.47 C ATOM 1654 HA PRO A 109 42.339 10.523 10.443 1.00 0.00 H ATOM 1655 HD3 PRO A 109 40.056 7.281 10.133 1.00 0.00 H ATOM 1656 HD2 PRO A 109 41.755 6.883 10.482 1.00 0.00 H ATOM 1657 HG3 PRO A 109 42.529 7.969 8.613 1.00 0.00 H ATOM 1658 HG2 PRO A 109 40.876 7.682 8.021 1.00 0.00 H ATOM 1659 HB2 PRO A 109 40.233 9.823 8.381 1.00 0.00 H ATOM 1660 HB3 PRO A 109 41.971 10.106 8.124 1.00 0.00 H ATOM 1661 N ASP A 110 39.270 10.886 11.068 1.00 22.28 N ATOM 1662 CA ASP A 110 38.280 11.903 11.370 1.00 27.54 C ATOM 1663 C ASP A 110 38.138 12.254 12.854 1.00 30.41 C ATOM 1664 O ASP A 110 37.087 12.729 13.299 1.00 33.70 O ATOM 1665 CB ASP A 110 36.942 11.480 10.761 1.00 22.21 C ATOM 1666 CG ASP A 110 36.940 11.619 9.254 1.00 13.64 C ATOM 1667 OD1 ASP A 110 36.817 10.605 8.540 1.00 23.87 O ATOM 1668 OD2 ASP A 110 37.080 12.757 8.777 1.00 16.03 O ATOM 1669 HA ASP A 110 38.634 12.831 10.920 1.00 0.00 H ATOM 1670 HB2 ASP A 110 36.750 10.439 11.020 1.00 0.00 H ATOM 1671 HB3 ASP A 110 36.152 12.107 11.174 1.00 0.00 H ATOM 1672 H ASP A 110 39.074 9.890 11.295 1.00 0.00 H ATOM 1673 N GLY A 111 39.209 12.034 13.612 1.00 30.15 N ATOM 1674 CA GLY A 111 39.195 12.354 15.029 1.00 29.53 C ATOM 1675 C GLY A 111 38.317 11.475 15.903 1.00 27.67 C ATOM 1676 O GLY A 111 38.087 11.786 17.073 1.00 29.65 O ATOM 1677 HA3 GLY A 111 38.849 13.382 15.135 1.00 0.00 H ATOM 1678 HA2 GLY A 111 40.218 12.276 15.399 1.00 0.00 H ATOM 1679 H GLY A 111 40.066 11.628 13.185 1.00 0.00 H ATOM 1680 N THR A 112 37.807 10.387 15.342 1.00 25.11 N ATOM 1681 CA THR A 112 36.978 9.481 16.113 1.00 24.61 C ATOM 1682 C THR A 112 37.923 8.723 17.041 1.00 28.82 C ATOM 1683 O THR A 112 39.020 8.338 16.635 1.00 30.89 O ATOM 1684 CB THR A 112 36.230 8.495 15.191 1.00 22.19 C ATOM 1685 OG1 THR A 112 34.969 9.061 14.816 1.00 19.69 O ATOM 1686 CG2 THR A 112 35.977 7.184 15.896 1.00 20.85 C ATOM 1687 HA THR A 112 36.220 10.029 16.672 1.00 0.00 H ATOM 1688 HB THR A 112 36.848 8.313 14.311 1.00 0.00 H ATOM 1689 HG1 THR A 112 34.488 8.429 14.224 1.00 0.00 H ATOM 1690 HG23 THR A 112 36.929 6.740 16.188 1.00 0.00 H ATOM 1691 HG21 THR A 112 35.370 7.362 16.784 1.00 0.00 H ATOM 1692 HG22 THR A 112 35.450 6.507 15.223 1.00 0.00 H ATOM 1693 H THR A 112 38.003 10.182 14.341 1.00 0.00 H ATOM 1694 N LEU A 113 37.510 8.527 18.288 1.00 28.56 N ATOM 1695 CA LEU A 113 38.347 7.817 19.246 1.00 27.27 C ATOM 1696 C LEU A 113 37.921 6.369 19.382 1.00 24.78 C ATOM 1697 O LEU A 113 36.774 6.078 19.706 1.00 29.41 O ATOM 1698 CB LEU A 113 38.285 8.489 20.621 1.00 25.98 C ATOM 1699 CG LEU A 113 38.930 7.702 21.765 1.00 15.34 C ATOM 1700 CD1 LEU A 113 40.430 7.682 21.603 1.00 9.67 C ATOM 1701 CD2 LEU A 113 38.564 8.341 23.076 1.00 13.94 C ATOM 1702 HA LEU A 113 39.369 7.851 18.870 1.00 0.00 H ATOM 1703 HB2 LEU A 113 38.790 9.452 20.548 1.00 0.00 H ATOM 1704 HB3 LEU A 113 37.236 8.648 20.871 1.00 0.00 H ATOM 1705 HG LEU A 113 38.565 6.675 21.746 1.00 0.00 H ATOM 1706 HD21 LEU A 113 38.925 9.369 23.091 1.00 0.00 H ATOM 1707 HD22 LEU A 113 37.480 8.333 23.192 1.00 0.00 H ATOM 1708 HD23 LEU A 113 39.022 7.782 23.892 1.00 0.00 H ATOM 1709 HD11 LEU A 113 40.686 7.209 20.655 1.00 0.00 H ATOM 1710 HD12 LEU A 113 40.809 8.704 21.614 1.00 0.00 H ATOM 1711 HD13 LEU A 113 40.875 7.119 22.423 1.00 0.00 H ATOM 1712 H LEU A 113 36.579 8.884 18.584 1.00 0.00 H ATOM 1713 N LEU A 114 38.854 5.463 19.137 1.00 21.79 N ATOM 1714 CA LEU A 114 38.571 4.045 19.241 1.00 16.43 C ATOM 1715 C LEU A 114 39.363 3.505 20.413 1.00 20.14 C ATOM 1716 O LEU A 114 40.584 3.336 20.333 1.00 19.26 O ATOM 1717 CB LEU A 114 38.988 3.329 17.958 1.00 16.46 C ATOM 1718 CG LEU A 114 38.015 3.384 16.773 1.00 17.45 C ATOM 1719 CD1 LEU A 114 38.565 4.261 15.654 1.00 2.00 C ATOM 1720 CD2 LEU A 114 37.798 1.972 16.265 1.00 17.43 C ATOM 1721 HA LEU A 114 37.504 3.881 19.389 1.00 0.00 H ATOM 1722 HB2 LEU A 114 39.930 3.768 17.629 1.00 0.00 H ATOM 1723 HB3 LEU A 114 39.145 2.279 18.205 1.00 0.00 H ATOM 1724 HG LEU A 114 37.071 3.818 17.102 1.00 0.00 H ATOM 1725 HD21 LEU A 114 38.752 1.552 15.946 1.00 0.00 H ATOM 1726 HD22 LEU A 114 37.379 1.360 17.064 1.00 0.00 H ATOM 1727 HD23 LEU A 114 37.108 1.993 15.421 1.00 0.00 H ATOM 1728 HD11 LEU A 114 38.717 5.273 16.029 1.00 0.00 H ATOM 1729 HD12 LEU A 114 39.515 3.853 15.308 1.00 0.00 H ATOM 1730 HD13 LEU A 114 37.855 4.281 14.828 1.00 0.00 H ATOM 1731 H LEU A 114 39.808 5.774 18.865 1.00 0.00 H ATOM 1732 N ARG A 115 38.666 3.261 21.515 1.00 20.08 N ATOM 1733 CA ARG A 115 39.299 2.735 22.710 1.00 16.78 C ATOM 1734 C ARG A 115 39.571 1.250 22.507 1.00 18.27 C ATOM 1735 O ARG A 115 38.645 0.448 22.415 1.00 23.15 O ATOM 1736 CB ARG A 115 38.375 2.950 23.907 1.00 23.58 C ATOM 1737 CG ARG A 115 38.307 4.396 24.362 1.00 24.27 C ATOM 1738 CD ARG A 115 37.368 4.578 25.548 1.00 28.77 C ATOM 1739 NE ARG A 115 36.294 5.516 25.234 1.00 29.34 N ATOM 1740 CZ ARG A 115 36.342 6.824 25.467 1.00 22.95 C ATOM 1741 NH1 ARG A 115 37.410 7.372 26.022 1.00 29.24 N ATOM 1742 NH2 ARG A 115 35.322 7.592 25.126 1.00 26.12 N ATOM 1743 HA ARG A 115 40.241 3.250 22.899 1.00 0.00 H ATOM 1744 HB2 ARG A 115 37.371 2.626 23.632 1.00 0.00 H ATOM 1745 HB3 ARG A 115 38.737 2.343 24.737 1.00 0.00 H ATOM 1746 HG2 ARG A 115 39.306 4.722 24.651 1.00 0.00 H ATOM 1747 HG3 ARG A 115 37.952 5.009 23.534 1.00 0.00 H ATOM 1748 HD2 ARG A 115 37.936 4.959 26.396 1.00 0.00 H ATOM 1749 HD3 ARG A 115 36.933 3.613 25.808 1.00 0.00 H ATOM 1750 HE ARG A 115 35.431 5.134 24.797 1.00 0.00 H ATOM 1751 HH12 ARG A 115 37.436 8.396 26.199 1.00 0.00 H ATOM 1752 HH11 ARG A 115 38.224 6.779 26.281 1.00 0.00 H ATOM 1753 HH22 ARG A 115 35.358 8.615 25.308 1.00 0.00 H ATOM 1754 HH21 ARG A 115 34.483 7.173 24.676 1.00 0.00 H ATOM 1755 H ARG A 115 37.644 3.451 21.523 1.00 0.00 H ATOM 1756 N LEU A 116 40.841 0.878 22.407 1.00 19.48 N ATOM 1757 CA LEU A 116 41.179 -0.525 22.210 1.00 20.84 C ATOM 1758 C LEU A 116 41.329 -1.189 23.571 1.00 18.10 C ATOM 1759 O LEU A 116 42.241 -0.878 24.330 1.00 20.60 O ATOM 1760 CB LEU A 116 42.471 -0.661 21.394 1.00 12.73 C ATOM 1761 CG LEU A 116 42.477 0.093 20.063 1.00 19.18 C ATOM 1762 CD1 LEU A 116 43.772 -0.190 19.316 1.00 21.49 C ATOM 1763 CD2 LEU A 116 41.279 -0.332 19.221 1.00 19.26 C ATOM 1764 HA LEU A 116 40.383 -1.017 21.651 1.00 0.00 H ATOM 1765 HB2 LEU A 116 43.295 -0.285 22.000 1.00 0.00 H ATOM 1766 HB3 LEU A 116 42.629 -1.719 21.184 1.00 0.00 H ATOM 1767 HG LEU A 116 42.408 1.163 20.256 1.00 0.00 H ATOM 1768 HD21 LEU A 116 41.334 -1.403 19.028 1.00 0.00 H ATOM 1769 HD22 LEU A 116 40.359 -0.105 19.760 1.00 0.00 H ATOM 1770 HD23 LEU A 116 41.291 0.210 18.275 1.00 0.00 H ATOM 1771 HD11 LEU A 116 44.618 0.138 19.920 1.00 0.00 H ATOM 1772 HD12 LEU A 116 43.853 -1.260 19.125 1.00 0.00 H ATOM 1773 HD13 LEU A 116 43.769 0.350 18.369 1.00 0.00 H ATOM 1774 H LEU A 116 41.597 1.590 22.469 1.00 0.00 H ATOM 1775 N ILE A 117 40.414 -2.092 23.886 1.00 9.62 N ATOM 1776 CA ILE A 117 40.459 -2.769 25.163 1.00 12.11 C ATOM 1777 C ILE A 117 40.800 -4.226 24.953 1.00 17.87 C ATOM 1778 O ILE A 117 40.435 -4.824 23.936 1.00 10.27 O ATOM 1779 CB ILE A 117 39.100 -2.676 25.901 1.00 13.28 C ATOM 1780 CG1 ILE A 117 38.761 -1.218 26.164 1.00 5.94 C ATOM 1781 CG2 ILE A 117 39.152 -3.432 27.234 1.00 3.44 C ATOM 1782 CD1 ILE A 117 37.321 -0.991 26.298 1.00 9.05 C ATOM 1783 HA ILE A 117 41.221 -2.282 25.772 1.00 0.00 H ATOM 1784 HB ILE A 117 38.334 -3.128 25.271 1.00 0.00 H ATOM 1785 HG12 ILE A 117 39.251 -0.906 27.086 1.00 0.00 H ATOM 1786 HG13 ILE A 117 39.134 -0.617 25.334 1.00 0.00 H ATOM 1787 HD11 ILE A 117 36.820 -1.291 25.378 1.00 0.00 H ATOM 1788 HD12 ILE A 117 36.938 -1.580 27.131 1.00 0.00 H ATOM 1789 HD13 ILE A 117 37.137 0.067 26.485 1.00 0.00 H ATOM 1790 HG21 ILE A 117 39.380 -4.481 27.046 1.00 0.00 H ATOM 1791 HG22 ILE A 117 39.927 -2.998 27.866 1.00 0.00 H ATOM 1792 HG23 ILE A 117 38.186 -3.352 27.733 1.00 0.00 H ATOM 1793 H ILE A 117 39.657 -2.316 23.210 1.00 0.00 H ATOM 1794 N GLN A 118 41.504 -4.784 25.937 1.00 21.78 N ATOM 1795 CA GLN A 118 41.915 -6.174 25.914 1.00 19.71 C ATOM 1796 C GLN A 118 40.854 -7.025 26.602 1.00 25.86 C ATOM 1797 O GLN A 118 40.715 -6.998 27.827 1.00 26.74 O ATOM 1798 CB GLN A 118 43.266 -6.319 26.619 1.00 13.88 C ATOM 1799 CG GLN A 118 43.837 -7.733 26.648 1.00 17.04 C ATOM 1800 CD GLN A 118 43.504 -8.544 25.409 1.00 20.24 C ATOM 1801 OE1 GLN A 118 44.276 -8.577 24.445 1.00 26.71 O ATOM 1802 NE2 GLN A 118 42.356 -9.211 25.429 1.00 17.56 N ATOM 1803 HA GLN A 118 42.023 -6.514 24.884 1.00 0.00 H ATOM 1804 HB2 GLN A 118 43.983 -5.676 26.109 1.00 0.00 H ATOM 1805 HB3 GLN A 118 43.147 -5.982 27.649 1.00 0.00 H ATOM 1806 HG2 GLN A 118 44.921 -7.666 26.736 1.00 0.00 H ATOM 1807 HG3 GLN A 118 43.434 -8.251 27.519 1.00 0.00 H ATOM 1808 HE22 GLN A 118 41.736 -9.154 26.262 1.00 0.00 H ATOM 1809 HE21 GLN A 118 42.077 -9.790 24.611 1.00 0.00 H ATOM 1810 H GLN A 118 41.769 -4.199 26.755 1.00 0.00 H ATOM 1811 N ASN A 119 40.097 -7.764 25.795 1.00 28.58 N ATOM 1812 CA ASN A 119 39.048 -8.641 26.295 1.00 29.77 C ATOM 1813 C ASN A 119 39.569 -9.451 27.473 1.00 36.24 C ATOM 1814 O ASN A 119 40.719 -9.897 27.473 1.00 37.89 O ATOM 1815 CB ASN A 119 38.607 -9.614 25.206 1.00 23.77 C ATOM 1816 CG ASN A 119 37.405 -9.129 24.436 1.00 26.97 C ATOM 1817 OD1 ASN A 119 36.536 -8.426 24.983 1.00 12.55 O ATOM 1818 ND2 ASN A 119 37.337 -9.503 23.152 1.00 11.43 N ATOM 1819 HA ASN A 119 38.205 -8.023 26.603 1.00 0.00 H ATOM 1820 HB2 ASN A 119 39.433 -9.754 24.509 1.00 0.00 H ATOM 1821 HB3 ASN A 119 38.360 -10.568 25.671 1.00 0.00 H ATOM 1822 HD22 ASN A 119 38.090 -10.092 22.741 1.00 0.00 H ATOM 1823 HD21 ASN A 119 36.532 -9.205 22.566 1.00 0.00 H ATOM 1824 H ASN A 119 40.261 -7.713 24.769 1.00 0.00 H ATOM 1825 N GLU A 120 38.717 -9.643 28.473 1.00 41.70 N ATOM 1826 CA GLU A 120 39.085 -10.425 29.642 1.00 46.31 C ATOM 1827 C GLU A 120 38.779 -11.892 29.359 1.00 50.45 C ATOM 1828 O GLU A 120 39.687 -12.606 28.876 1.00 54.72 O ATOM 1829 CB GLU A 120 38.290 -9.960 30.854 1.00 43.94 C ATOM 1830 CG GLU A 120 38.811 -10.494 32.161 1.00 49.55 C ATOM 1831 CD GLU A 120 38.331 -9.673 33.335 1.00 57.92 C ATOM 1832 OE1 GLU A 120 38.315 -8.429 33.216 1.00 56.27 O ATOM 1833 OE2 GLU A 120 37.968 -10.270 34.373 1.00 60.67 O ATOM 1834 HA GLU A 120 40.147 -10.296 29.852 1.00 0.00 H ATOM 1835 HB2 GLU A 120 38.322 -8.871 30.890 1.00 0.00 H ATOM 1836 HB3 GLU A 120 37.257 -10.288 30.735 1.00 0.00 H ATOM 1837 HG2 GLU A 120 38.468 -11.521 32.285 1.00 0.00 H ATOM 1838 HG3 GLU A 120 39.901 -10.477 32.140 1.00 0.00 H ATOM 1839 H GLU A 120 37.766 -9.225 28.419 1.00 0.00 H TER 1840 GLU A 120 ATOM 1841 N THR B 2 35.338 -13.176 22.470 1.00 2.00 N ATOM 1842 CA THR B 2 35.583 -12.812 21.053 1.00 10.28 C ATOM 1843 C THR B 2 35.602 -11.294 20.831 1.00 19.96 C ATOM 1844 O THR B 2 34.972 -10.522 21.580 1.00 11.13 O ATOM 1845 CB THR B 2 34.512 -13.447 20.114 1.00 18.74 C ATOM 1846 OG1 THR B 2 33.669 -12.425 19.567 1.00 12.03 O ATOM 1847 CG2 THR B 2 33.649 -14.452 20.871 1.00 17.42 C ATOM 1848 HA THR B 2 36.569 -13.208 20.808 1.00 0.00 H ATOM 1849 HB THR B 2 35.036 -13.965 19.310 1.00 0.00 H ATOM 1850 HG1 THR B 2 33.213 -11.946 20.304 1.00 0.00 H ATOM 1851 HG23 THR B 2 34.285 -15.232 21.290 1.00 0.00 H ATOM 1852 HG21 THR B 2 33.120 -13.941 21.676 1.00 0.00 H ATOM 1853 HG22 THR B 2 32.928 -14.898 20.186 1.00 0.00 H ATOM 1854 HN3 THR B 2 34.417 -12.796 22.770 1.00 0.00 H ATOM 1855 HN2 THR B 2 36.090 -12.774 23.065 1.00 0.00 H ATOM 1856 HN1 THR B 2 35.335 -14.212 22.565 1.00 0.00 H ATOM 1857 N ASP B 3 36.337 -10.885 19.794 1.00 21.05 N ATOM 1858 CA ASP B 3 36.493 -9.476 19.404 1.00 17.87 C ATOM 1859 C ASP B 3 35.178 -8.826 18.951 1.00 13.72 C ATOM 1860 O ASP B 3 34.544 -9.308 18.018 1.00 6.65 O ATOM 1861 CB ASP B 3 37.503 -9.364 18.251 1.00 10.46 C ATOM 1862 CG ASP B 3 38.921 -9.681 18.673 1.00 7.66 C ATOM 1863 OD1 ASP B 3 39.134 -10.112 19.821 1.00 18.66 O ATOM 1864 OD2 ASP B 3 39.833 -9.500 17.848 1.00 9.69 O ATOM 1865 HA ASP B 3 36.841 -8.950 20.293 1.00 0.00 H ATOM 1866 HB2 ASP B 3 37.211 -10.060 17.464 1.00 0.00 H ATOM 1867 HB3 ASP B 3 37.475 -8.346 17.863 1.00 0.00 H ATOM 1868 H ASP B 3 36.828 -11.606 19.228 1.00 0.00 H ATOM 1869 N GLN B 4 34.787 -7.721 19.584 1.00 16.93 N ATOM 1870 CA GLN B 4 33.546 -7.034 19.199 1.00 19.89 C ATOM 1871 C GLN B 4 33.662 -5.504 19.111 1.00 21.24 C ATOM 1872 O GLN B 4 34.671 -4.918 19.514 1.00 18.92 O ATOM 1873 CB GLN B 4 32.428 -7.400 20.179 1.00 23.18 C ATOM 1874 CG GLN B 4 31.033 -6.974 19.732 1.00 37.05 C ATOM 1875 CD GLN B 4 30.266 -8.084 19.017 1.00 45.57 C ATOM 1876 OE1 GLN B 4 30.835 -8.840 18.219 1.00 44.71 O ATOM 1877 NE2 GLN B 4 28.969 -8.185 19.302 1.00 41.31 N ATOM 1878 HA GLN B 4 33.320 -7.379 18.190 1.00 0.00 H ATOM 1879 HB2 GLN B 4 32.429 -8.482 20.309 1.00 0.00 H ATOM 1880 HB3 GLN B 4 32.641 -6.921 21.134 1.00 0.00 H ATOM 1881 HG2 GLN B 4 30.465 -6.670 20.611 1.00 0.00 H ATOM 1882 HG3 GLN B 4 31.130 -6.127 19.053 1.00 0.00 H ATOM 1883 HE22 GLN B 4 28.533 -7.527 19.979 1.00 0.00 H ATOM 1884 HE21 GLN B 4 28.392 -8.921 18.847 1.00 0.00 H ATOM 1885 H GLN B 4 35.366 -7.340 20.359 1.00 0.00 H ATOM 1886 N ALA B 5 32.622 -4.864 18.576 1.00 20.46 N ATOM 1887 CA ALA B 5 32.581 -3.407 18.446 1.00 24.99 C ATOM 1888 C ALA B 5 31.290 -2.939 19.082 1.00 25.90 C ATOM 1889 O ALA B 5 30.215 -3.420 18.728 1.00 31.91 O ATOM 1890 CB ALA B 5 32.612 -2.993 16.980 1.00 27.88 C ATOM 1891 HA ALA B 5 33.447 -2.960 18.934 1.00 0.00 H ATOM 1892 HB1 ALA B 5 33.528 -3.362 16.519 1.00 0.00 H ATOM 1893 HB2 ALA B 5 31.749 -3.416 16.466 1.00 0.00 H ATOM 1894 HB3 ALA B 5 32.581 -1.906 16.910 1.00 0.00 H ATOM 1895 H ALA B 5 31.811 -5.420 18.239 1.00 0.00 H ATOM 1896 N THR B 6 31.394 -2.003 20.020 1.00 26.83 N ATOM 1897 CA THR B 6 30.220 -1.493 20.715 1.00 19.38 C ATOM 1898 C THR B 6 30.143 0.018 20.620 1.00 20.52 C ATOM 1899 O THR B 6 31.164 0.708 20.629 1.00 26.09 O ATOM 1900 CB THR B 6 30.237 -1.895 22.203 1.00 20.93 C ATOM 1901 OG1 THR B 6 31.334 -1.248 22.863 1.00 21.69 O ATOM 1902 CG2 THR B 6 30.381 -3.395 22.343 1.00 7.14 C ATOM 1903 HA THR B 6 29.348 -1.932 20.231 1.00 0.00 H ATOM 1904 HB THR B 6 29.297 -1.586 22.660 1.00 0.00 H ATOM 1905 HG1 THR B 6 31.343 -1.508 23.818 1.00 0.00 H ATOM 1906 HG23 THR B 6 29.548 -3.887 21.842 1.00 0.00 H ATOM 1907 HG21 THR B 6 31.319 -3.713 21.888 1.00 0.00 H ATOM 1908 HG22 THR B 6 30.380 -3.662 23.400 1.00 0.00 H ATOM 1909 H THR B 6 32.333 -1.627 20.263 1.00 0.00 H ATOM 1910 N PRO B 7 28.923 0.561 20.577 1.00 18.73 N ATOM 1911 CA PRO B 7 28.785 2.013 20.472 1.00 16.66 C ATOM 1912 C PRO B 7 29.014 2.793 21.754 1.00 15.20 C ATOM 1913 O PRO B 7 28.907 2.261 22.848 1.00 24.33 O ATOM 1914 CB PRO B 7 27.368 2.212 19.931 1.00 15.59 C ATOM 1915 CG PRO B 7 26.644 0.900 20.145 1.00 20.86 C ATOM 1916 CD PRO B 7 27.621 -0.124 20.665 1.00 23.55 C ATOM 1917 HA PRO B 7 29.567 2.414 19.826 1.00 0.00 H ATOM 1918 HD3 PRO B 7 27.391 -0.393 21.696 1.00 0.00 H ATOM 1919 HD2 PRO B 7 27.611 -1.021 20.046 1.00 0.00 H ATOM 1920 HG3 PRO B 7 26.223 0.557 19.200 1.00 0.00 H ATOM 1921 HG2 PRO B 7 25.841 1.040 20.869 1.00 0.00 H ATOM 1922 HB2 PRO B 7 26.866 3.013 20.473 1.00 0.00 H ATOM 1923 HB3 PRO B 7 27.400 2.457 18.869 1.00 0.00 H ATOM 1924 N ASN B 8 29.332 4.069 21.603 1.00 16.33 N ATOM 1925 CA ASN B 8 29.548 4.945 22.740 1.00 17.26 C ATOM 1926 C ASN B 8 28.462 5.991 22.636 1.00 17.83 C ATOM 1927 O ASN B 8 28.559 6.898 21.819 1.00 23.91 O ATOM 1928 CB ASN B 8 30.904 5.638 22.647 1.00 16.42 C ATOM 1929 CG ASN B 8 32.051 4.738 23.049 1.00 23.84 C ATOM 1930 OD1 ASN B 8 33.150 5.221 23.319 1.00 24.52 O ATOM 1931 ND2 ASN B 8 31.807 3.420 23.086 1.00 18.84 N ATOM 1932 HA ASN B 8 29.526 4.388 23.677 1.00 0.00 H ATOM 1933 HB2 ASN B 8 31.060 5.963 21.618 1.00 0.00 H ATOM 1934 HB3 ASN B 8 30.897 6.508 23.304 1.00 0.00 H ATOM 1935 HD22 ASN B 8 30.861 3.059 22.849 1.00 0.00 H ATOM 1936 HD21 ASN B 8 32.564 2.758 23.352 1.00 0.00 H ATOM 1937 H ASN B 8 29.430 4.455 20.642 1.00 0.00 H ATOM 1938 N LEU B 9 27.420 5.863 23.444 1.00 15.04 N ATOM 1939 CA LEU B 9 26.341 6.821 23.395 1.00 10.73 C ATOM 1940 C LEU B 9 26.465 7.780 24.550 1.00 15.60 C ATOM 1941 O LEU B 9 27.066 7.457 25.573 1.00 15.53 O ATOM 1942 CB LEU B 9 24.998 6.109 23.444 1.00 15.79 C ATOM 1943 CG LEU B 9 24.819 5.125 22.288 1.00 20.19 C ATOM 1944 CD1 LEU B 9 23.492 4.397 22.431 1.00 21.37 C ATOM 1945 CD2 LEU B 9 24.891 5.886 20.968 1.00 20.90 C ATOM 1946 HA LEU B 9 26.401 7.377 22.459 1.00 0.00 H ATOM 1947 HB2 LEU B 9 24.925 5.562 24.384 1.00 0.00 H ATOM 1948 HB3 LEU B 9 24.204 6.854 23.396 1.00 0.00 H ATOM 1949 HG LEU B 9 25.614 4.380 22.305 1.00 0.00 H ATOM 1950 HD21 LEU B 9 24.100 6.635 20.938 1.00 0.00 H ATOM 1951 HD22 LEU B 9 25.861 6.377 20.885 1.00 0.00 H ATOM 1952 HD23 LEU B 9 24.764 5.188 20.140 1.00 0.00 H ATOM 1953 HD11 LEU B 9 23.478 3.851 23.375 1.00 0.00 H ATOM 1954 HD12 LEU B 9 22.678 5.122 22.417 1.00 0.00 H ATOM 1955 HD13 LEU B 9 23.372 3.698 21.604 1.00 0.00 H ATOM 1956 H LEU B 9 27.379 5.070 24.116 1.00 0.00 H ATOM 1957 N PRO B 10 25.916 8.989 24.393 1.00 14.09 N ATOM 1958 CA PRO B 10 25.987 9.984 25.460 1.00 17.85 C ATOM 1959 C PRO B 10 24.837 9.749 26.428 1.00 22.41 C ATOM 1960 O PRO B 10 23.918 8.976 26.135 1.00 25.15 O ATOM 1961 CB PRO B 10 25.853 11.300 24.716 1.00 18.19 C ATOM 1962 CG PRO B 10 24.958 10.957 23.560 1.00 21.54 C ATOM 1963 CD PRO B 10 25.191 9.498 23.217 1.00 2.00 C ATOM 1964 HA PRO B 10 26.899 9.952 26.057 1.00 0.00 H ATOM 1965 HD3 PRO B 10 24.246 8.972 23.082 1.00 0.00 H ATOM 1966 HD2 PRO B 10 25.793 9.400 22.313 1.00 0.00 H ATOM 1967 HG3 PRO B 10 25.201 11.584 22.702 1.00 0.00 H ATOM 1968 HG2 PRO B 10 23.915 11.112 23.838 1.00 0.00 H ATOM 1969 HB2 PRO B 10 25.398 12.062 25.349 1.00 0.00 H ATOM 1970 HB3 PRO B 10 26.824 11.652 24.367 1.00 0.00 H ATOM 1971 N SER B 11 24.892 10.408 27.579 1.00 21.66 N ATOM 1972 CA SER B 11 23.844 10.266 28.578 1.00 22.96 C ATOM 1973 C SER B 11 23.821 11.511 29.445 1.00 24.02 C ATOM 1974 O SER B 11 24.736 11.742 30.227 1.00 27.00 O ATOM 1975 CB SER B 11 24.103 9.024 29.441 1.00 23.67 C ATOM 1976 OG SER B 11 22.908 8.526 30.024 1.00 23.67 O ATOM 1977 HA SER B 11 22.880 10.146 28.085 1.00 0.00 H ATOM 1978 HB2 SER B 11 24.801 9.286 30.236 1.00 0.00 H ATOM 1979 HB3 SER B 11 24.542 8.246 28.816 1.00 0.00 H ATOM 1980 HG SER B 11 22.271 8.279 29.308 1.00 0.00 H ATOM 1981 H SER B 11 25.698 11.037 27.770 1.00 0.00 H ATOM 1982 N ARG B 12 22.773 12.315 29.295 1.00 29.00 N ATOM 1983 CA ARG B 12 22.636 13.540 30.072 1.00 31.62 C ATOM 1984 C ARG B 12 22.375 13.208 31.544 1.00 28.53 C ATOM 1985 O ARG B 12 22.626 14.026 32.426 1.00 28.34 O ATOM 1986 CB ARG B 12 21.500 14.403 29.498 1.00 30.61 C ATOM 1987 CG ARG B 12 21.933 15.302 28.339 1.00 23.26 C ATOM 1988 CD ARG B 12 20.770 16.150 27.819 1.00 29.19 C ATOM 1989 NE ARG B 12 19.545 15.366 27.696 1.00 31.31 N ATOM 1990 CZ ARG B 12 18.333 15.880 27.498 1.00 31.60 C ATOM 1991 NH1 ARG B 12 18.168 17.190 27.398 1.00 24.64 N ATOM 1992 NH2 ARG B 12 17.284 15.078 27.387 1.00 24.78 N ATOM 1993 HA ARG B 12 23.565 14.106 30.010 1.00 0.00 H ATOM 1994 HB2 ARG B 12 20.711 13.741 29.143 1.00 0.00 H ATOM 1995 HB3 ARG B 12 21.111 15.035 30.296 1.00 0.00 H ATOM 1996 HG2 ARG B 12 22.728 15.964 28.682 1.00 0.00 H ATOM 1997 HG3 ARG B 12 22.307 14.678 27.527 1.00 0.00 H ATOM 1998 HD2 ARG B 12 21.034 16.550 26.840 1.00 0.00 H ATOM 1999 HD3 ARG B 12 20.595 16.973 28.512 1.00 0.00 H ATOM 2000 HE ARG B 12 19.625 14.332 27.768 1.00 0.00 H ATOM 2001 HH12 ARG B 12 17.218 17.584 27.243 1.00 0.00 H ATOM 2002 HH11 ARG B 12 18.988 17.825 27.474 1.00 0.00 H ATOM 2003 HH22 ARG B 12 16.337 15.479 27.232 1.00 0.00 H ATOM 2004 HH21 ARG B 12 17.408 14.048 27.455 1.00 0.00 H ATOM 2005 H ARG B 12 22.034 12.064 28.607 1.00 0.00 H ATOM 2006 N ASP B 13 21.880 12.001 31.803 1.00 24.93 N ATOM 2007 CA ASP B 13 21.605 11.563 33.170 1.00 25.64 C ATOM 2008 C ASP B 13 21.499 10.044 33.248 1.00 25.44 C ATOM 2009 O ASP B 13 20.478 9.463 32.861 1.00 31.71 O ATOM 2010 CB ASP B 13 20.309 12.196 33.681 1.00 26.20 C ATOM 2011 CG ASP B 13 19.978 11.782 35.105 1.00 28.23 C ATOM 2012 OD1 ASP B 13 20.821 11.998 36.007 1.00 25.73 O ATOM 2013 OD2 ASP B 13 18.874 11.242 35.320 1.00 27.59 O ATOM 2014 HA ASP B 13 22.436 11.886 33.798 1.00 0.00 H ATOM 2015 HB2 ASP B 13 20.413 13.281 33.648 1.00 0.00 H ATOM 2016 HB3 ASP B 13 19.490 11.891 33.029 1.00 0.00 H ATOM 2017 H ASP B 13 21.684 11.353 31.014 1.00 0.00 H ATOM 2018 N PHE B 14 22.550 9.408 33.757 1.00 18.18 N ATOM 2019 CA PHE B 14 22.582 7.955 33.880 1.00 18.78 C ATOM 2020 C PHE B 14 21.323 7.364 34.501 1.00 22.03 C ATOM 2021 O PHE B 14 20.849 6.307 34.080 1.00 23.31 O ATOM 2022 CB PHE B 14 23.797 7.530 34.691 1.00 13.28 C ATOM 2023 CG PHE B 14 25.087 7.687 33.956 1.00 19.23 C ATOM 2024 CD1 PHE B 14 26.299 7.493 34.603 1.00 18.95 C ATOM 2025 CD2 PHE B 14 25.095 8.049 32.611 1.00 14.95 C ATOM 2026 CE1 PHE B 14 27.503 7.658 33.925 1.00 8.60 C ATOM 2027 CE2 PHE B 14 26.289 8.214 31.930 1.00 15.46 C ATOM 2028 CZ PHE B 14 27.498 8.018 32.592 1.00 12.51 C ATOM 2029 HA PHE B 14 22.641 7.565 32.864 1.00 0.00 H ATOM 2030 HB2 PHE B 14 23.838 8.137 35.595 1.00 0.00 H ATOM 2031 HB3 PHE B 14 23.680 6.481 34.964 1.00 0.00 H ATOM 2032 HD2 PHE B 14 24.151 8.204 32.089 1.00 0.00 H ATOM 2033 HE2 PHE B 14 26.283 8.497 30.877 1.00 0.00 H ATOM 2034 HZ PHE B 14 28.440 8.149 32.059 1.00 0.00 H ATOM 2035 HE1 PHE B 14 28.448 7.503 34.445 1.00 0.00 H ATOM 2036 HD1 PHE B 14 26.308 7.208 35.655 1.00 0.00 H ATOM 2037 H PHE B 14 23.371 9.961 34.076 1.00 0.00 H ATOM 2038 N ASP B 15 20.776 8.041 35.502 1.00 22.20 N ATOM 2039 CA ASP B 15 19.565 7.548 36.140 1.00 22.10 C ATOM 2040 C ASP B 15 18.437 7.404 35.108 1.00 22.77 C ATOM 2041 O ASP B 15 17.879 6.320 34.930 1.00 18.31 O ATOM 2042 CB ASP B 15 19.132 8.511 37.245 1.00 26.98 C ATOM 2043 CG ASP B 15 19.860 8.267 38.552 1.00 27.55 C ATOM 2044 OD1 ASP B 15 20.619 7.278 38.639 1.00 24.18 O ATOM 2045 OD2 ASP B 15 19.668 9.070 39.492 1.00 26.26 O ATOM 2046 HA ASP B 15 19.772 6.570 36.573 1.00 0.00 H ATOM 2047 HB2 ASP B 15 19.334 9.531 36.918 1.00 0.00 H ATOM 2048 HB3 ASP B 15 18.062 8.390 37.414 1.00 0.00 H ATOM 2049 H ASP B 15 21.213 8.925 35.831 1.00 0.00 H ATOM 2050 N SER B 16 18.117 8.506 34.429 1.00 23.75 N ATOM 2051 CA SER B 16 17.056 8.525 33.423 1.00 20.83 C ATOM 2052 C SER B 16 17.306 7.541 32.296 1.00 24.56 C ATOM 2053 O SER B 16 16.377 6.875 31.828 1.00 21.48 O ATOM 2054 CB SER B 16 16.919 9.923 32.839 1.00 14.38 C ATOM 2055 OG SER B 16 16.736 10.869 33.873 1.00 6.93 O ATOM 2056 HA SER B 16 16.136 8.229 33.927 1.00 0.00 H ATOM 2057 HB2 SER B 16 16.060 9.951 32.169 1.00 0.00 H ATOM 2058 HB3 SER B 16 17.822 10.170 32.280 1.00 0.00 H ATOM 2059 HG SER B 16 17.517 10.847 34.481 1.00 0.00 H ATOM 2060 H SER B 16 18.641 9.384 34.622 1.00 0.00 H ATOM 2061 N THR B 17 18.562 7.471 31.861 1.00 23.08 N ATOM 2062 CA THR B 17 18.955 6.566 30.795 1.00 22.99 C ATOM 2063 C THR B 17 18.715 5.131 31.252 1.00 25.08 C ATOM 2064 O THR B 17 17.934 4.386 30.648 1.00 21.57 O ATOM 2065 CB THR B 17 20.448 6.747 30.442 1.00 20.72 C ATOM 2066 OG1 THR B 17 20.669 8.075 29.945 1.00 28.10 O ATOM 2067 CG2 THR B 17 20.872 5.742 29.390 1.00 19.40 C ATOM 2068 HA THR B 17 18.362 6.787 29.908 1.00 0.00 H ATOM 2069 HB THR B 17 21.039 6.586 31.343 1.00 0.00 H ATOM 2070 HG1 THR B 17 21.627 8.187 29.720 1.00 0.00 H ATOM 2071 HG23 THR B 17 20.705 4.732 29.766 1.00 0.00 H ATOM 2072 HG21 THR B 17 20.285 5.896 28.485 1.00 0.00 H ATOM 2073 HG22 THR B 17 21.930 5.877 29.166 1.00 0.00 H ATOM 2074 H THR B 17 19.282 8.082 32.297 1.00 0.00 H ATOM 2075 N ALA B 18 19.391 4.755 32.330 1.00 23.77 N ATOM 2076 CA ALA B 18 19.265 3.418 32.881 1.00 22.62 C ATOM 2077 C ALA B 18 17.794 3.046 32.994 1.00 20.66 C ATOM 2078 O ALA B 18 17.368 1.995 32.533 1.00 23.66 O ATOM 2079 CB ALA B 18 19.925 3.366 34.244 1.00 21.74 C ATOM 2080 HA ALA B 18 19.759 2.705 32.221 1.00 0.00 H ATOM 2081 HB1 ALA B 18 20.980 3.620 34.145 1.00 0.00 H ATOM 2082 HB2 ALA B 18 19.439 4.080 34.909 1.00 0.00 H ATOM 2083 HB3 ALA B 18 19.829 2.361 34.655 1.00 0.00 H ATOM 2084 H ALA B 18 20.027 5.436 32.792 1.00 0.00 H ATOM 2085 N ALA B 19 17.015 3.924 33.608 1.00 21.79 N ATOM 2086 CA ALA B 19 15.592 3.681 33.783 1.00 20.02 C ATOM 2087 C ALA B 19 14.974 3.288 32.456 1.00 24.16 C ATOM 2088 O ALA B 19 14.341 2.231 32.322 1.00 25.95 O ATOM 2089 CB ALA B 19 14.922 4.930 34.303 1.00 7.26 C ATOM 2090 HA ALA B 19 15.452 2.872 34.500 1.00 0.00 H ATOM 2091 HB1 ALA B 19 15.363 5.205 35.261 1.00 0.00 H ATOM 2092 HB2 ALA B 19 15.065 5.742 33.590 1.00 0.00 H ATOM 2093 HB3 ALA B 19 13.856 4.742 34.432 1.00 0.00 H ATOM 2094 H ALA B 19 17.430 4.805 33.972 1.00 0.00 H ATOM 2095 N PHE B 20 15.171 4.157 31.473 1.00 23.51 N ATOM 2096 CA PHE B 20 14.634 3.950 30.145 1.00 24.26 C ATOM 2097 C PHE B 20 14.970 2.599 29.517 1.00 26.87 C ATOM 2098 O PHE B 20 14.078 1.909 29.005 1.00 32.58 O ATOM 2099 CB PHE B 20 15.106 5.068 29.216 1.00 31.39 C ATOM 2100 CG PHE B 20 14.644 4.898 27.797 1.00 34.59 C ATOM 2101 CD1 PHE B 20 13.315 5.132 27.456 1.00 37.58 C ATOM 2102 CD2 PHE B 20 15.519 4.435 26.818 1.00 35.35 C ATOM 2103 CE1 PHE B 20 12.861 4.900 26.169 1.00 36.20 C ATOM 2104 CE2 PHE B 20 15.079 4.199 25.525 1.00 26.06 C ATOM 2105 CZ PHE B 20 13.749 4.429 25.198 1.00 37.72 C ATOM 2106 HA PHE B 20 13.551 3.962 30.267 1.00 0.00 H ATOM 2107 HB2 PHE B 20 14.723 6.016 29.593 1.00 0.00 H ATOM 2108 HB3 PHE B 20 16.196 5.088 29.225 1.00 0.00 H ATOM 2109 HD2 PHE B 20 16.564 4.256 27.072 1.00 0.00 H ATOM 2110 HE2 PHE B 20 15.774 3.835 24.768 1.00 0.00 H ATOM 2111 HZ PHE B 20 13.397 4.242 24.183 1.00 0.00 H ATOM 2112 HE1 PHE B 20 11.817 5.084 25.914 1.00 0.00 H ATOM 2113 HD1 PHE B 20 12.623 5.503 28.212 1.00 0.00 H ATOM 2114 H PHE B 20 15.729 5.014 31.663 1.00 0.00 H ATOM 2115 N TYR B 21 16.246 2.221 29.548 1.00 23.22 N ATOM 2116 CA TYR B 21 16.672 0.959 28.945 1.00 22.62 C ATOM 2117 C TYR B 21 16.250 -0.300 29.706 1.00 24.91 C ATOM 2118 O TYR B 21 15.963 -1.336 29.096 1.00 19.33 O ATOM 2119 CB TYR B 21 18.189 0.980 28.723 1.00 20.42 C ATOM 2120 CG TYR B 21 18.583 1.858 27.546 1.00 19.97 C ATOM 2121 CD1 TYR B 21 18.622 3.249 27.669 1.00 12.87 C ATOM 2122 CD2 TYR B 21 18.844 1.303 26.290 1.00 24.91 C ATOM 2123 CE1 TYR B 21 18.902 4.066 26.572 1.00 16.45 C ATOM 2124 CE2 TYR B 21 19.126 2.112 25.181 1.00 19.58 C ATOM 2125 CZ TYR B 21 19.149 3.492 25.330 1.00 25.16 C ATOM 2126 OH TYR B 21 19.375 4.296 24.228 1.00 27.48 O ATOM 2127 HA TYR B 21 16.146 0.892 27.993 1.00 0.00 H ATOM 2128 HB3 TYR B 21 18.531 -0.037 28.533 1.00 0.00 H ATOM 2129 HB2 TYR B 21 18.671 1.361 29.623 1.00 0.00 H ATOM 2130 HD2 TYR B 21 18.828 0.220 26.171 1.00 0.00 H ATOM 2131 HE2 TYR B 21 19.326 1.661 24.209 1.00 0.00 H ATOM 2132 HE1 TYR B 21 18.927 5.149 26.689 1.00 0.00 H ATOM 2133 HD1 TYR B 21 18.430 3.705 28.640 1.00 0.00 H ATOM 2134 HH TYR B 21 19.360 5.246 24.505 1.00 0.00 H ATOM 2135 H TYR B 21 16.950 2.832 30.008 1.00 0.00 H ATOM 2136 N GLU B 22 16.191 -0.204 31.031 1.00 27.91 N ATOM 2137 CA GLU B 22 15.797 -1.336 31.865 1.00 26.61 C ATOM 2138 C GLU B 22 14.467 -1.927 31.396 1.00 24.61 C ATOM 2139 O GLU B 22 14.277 -3.139 31.415 1.00 22.53 O ATOM 2140 CB GLU B 22 15.670 -0.893 33.327 1.00 29.94 C ATOM 2141 CG GLU B 22 16.499 -1.713 34.317 1.00 34.45 C ATOM 2142 CD GLU B 22 17.261 -0.841 35.298 1.00 30.30 C ATOM 2143 OE1 GLU B 22 18.449 -0.560 35.044 1.00 24.59 O ATOM 2144 OE2 GLU B 22 16.671 -0.433 36.320 1.00 33.70 O ATOM 2145 HA GLU B 22 16.568 -2.101 31.779 1.00 0.00 H ATOM 2146 HB2 GLU B 22 15.989 0.147 33.396 1.00 0.00 H ATOM 2147 HB3 GLU B 22 14.622 -0.970 33.616 1.00 0.00 H ATOM 2148 HG2 GLU B 22 15.830 -2.367 34.876 1.00 0.00 H ATOM 2149 HG3 GLU B 22 17.213 -2.318 33.759 1.00 0.00 H ATOM 2150 H GLU B 22 16.432 0.700 31.485 1.00 0.00 H ATOM 2151 N ARG B 23 13.556 -1.057 30.971 1.00 30.23 N ATOM 2152 CA ARG B 23 12.232 -1.463 30.500 1.00 29.62 C ATOM 2153 C ARG B 23 12.310 -2.245 29.192 1.00 32.61 C ATOM 2154 O ARG B 23 11.327 -2.850 28.756 1.00 36.53 O ATOM 2155 CB ARG B 23 11.353 -0.226 30.293 1.00 23.17 C ATOM 2156 CG ARG B 23 10.486 0.124 31.489 1.00 41.55 C ATOM 2157 CD ARG B 23 10.525 1.616 31.794 1.00 52.02 C ATOM 2158 NE ARG B 23 10.084 2.418 30.659 1.00 58.59 N ATOM 2159 CZ ARG B 23 10.322 3.719 30.518 1.00 61.66 C ATOM 2160 NH1 ARG B 23 9.874 4.353 29.442 1.00 59.29 N ATOM 2161 NH2 ARG B 23 11.001 4.385 31.449 1.00 59.18 N ATOM 2162 HA ARG B 23 11.798 -2.113 31.260 1.00 0.00 H ATOM 2163 HB2 ARG B 23 12.002 0.624 30.079 1.00 0.00 H ATOM 2164 HB3 ARG B 23 10.701 -0.408 29.438 1.00 0.00 H ATOM 2165 HG2 ARG B 23 9.457 -0.167 31.277 1.00 0.00 H ATOM 2166 HG3 ARG B 23 10.846 -0.425 32.359 1.00 0.00 H ATOM 2167 HD2 ARG B 23 11.547 1.897 32.048 1.00 0.00 H ATOM 2168 HD3 ARG B 23 9.872 1.819 32.643 1.00 0.00 H ATOM 2169 HE ARG B 23 9.546 1.940 29.908 1.00 0.00 H ATOM 2170 HH12 ARG B 23 10.056 5.370 29.324 1.00 0.00 H ATOM 2171 HH11 ARG B 23 9.341 3.833 28.716 1.00 0.00 H ATOM 2172 HH22 ARG B 23 11.183 5.402 31.332 1.00 0.00 H ATOM 2173 HH21 ARG B 23 11.349 3.888 32.294 1.00 0.00 H ATOM 2174 H ARG B 23 13.795 -0.045 30.974 1.00 0.00 H ATOM 2175 N LEU B 24 13.482 -2.228 28.567 1.00 33.67 N ATOM 2176 CA LEU B 24 13.672 -2.921 27.305 1.00 33.97 C ATOM 2177 C LEU B 24 14.477 -4.200 27.467 1.00 32.66 C ATOM 2178 O LEU B 24 15.032 -4.719 26.504 1.00 38.01 O ATOM 2179 CB LEU B 24 14.353 -1.990 26.302 1.00 28.76 C ATOM 2180 CG LEU B 24 13.514 -0.759 25.950 1.00 37.36 C ATOM 2181 CD1 LEU B 24 14.306 0.181 25.041 1.00 35.36 C ATOM 2182 CD2 LEU B 24 12.219 -1.205 25.267 1.00 35.07 C ATOM 2183 HA LEU B 24 12.688 -3.206 26.933 1.00 0.00 H ATOM 2184 HB2 LEU B 24 15.298 -1.654 26.728 1.00 0.00 H ATOM 2185 HB3 LEU B 24 14.547 -2.550 25.387 1.00 0.00 H ATOM 2186 HG LEU B 24 13.266 -0.218 26.863 1.00 0.00 H ATOM 2187 HD21 LEU B 24 12.460 -1.754 24.357 1.00 0.00 H ATOM 2188 HD22 LEU B 24 11.656 -1.849 25.943 1.00 0.00 H ATOM 2189 HD23 LEU B 24 11.621 -0.329 25.016 1.00 0.00 H ATOM 2190 HD11 LEU B 24 15.212 0.502 25.554 1.00 0.00 H ATOM 2191 HD12 LEU B 24 14.573 -0.343 24.123 1.00 0.00 H ATOM 2192 HD13 LEU B 24 13.695 1.051 24.800 1.00 0.00 H ATOM 2193 H LEU B 24 14.278 -1.709 28.989 1.00 0.00 H ATOM 2194 N GLY B 25 14.537 -4.708 28.690 1.00 30.80 N ATOM 2195 CA GLY B 25 15.270 -5.934 28.933 1.00 25.59 C ATOM 2196 C GLY B 25 16.737 -5.719 29.221 1.00 23.89 C ATOM 2197 O GLY B 25 17.437 -6.656 29.586 1.00 24.38 O ATOM 2198 HA3 GLY B 25 15.182 -6.568 28.051 1.00 0.00 H ATOM 2199 HA2 GLY B 25 14.822 -6.439 29.789 1.00 0.00 H ATOM 2200 H GLY B 25 14.057 -4.226 29.477 1.00 0.00 H ATOM 2201 N PHE B 26 17.206 -4.488 29.055 1.00 27.67 N ATOM 2202 CA PHE B 26 18.605 -4.172 29.310 1.00 26.14 C ATOM 2203 C PHE B 26 18.864 -4.048 30.799 1.00 29.29 C ATOM 2204 O PHE B 26 18.021 -3.547 31.551 1.00 28.79 O ATOM 2205 CB PHE B 26 18.987 -2.856 28.639 1.00 26.63 C ATOM 2206 CG PHE B 26 19.321 -2.992 27.184 1.00 24.51 C ATOM 2207 CD1 PHE B 26 18.362 -2.728 26.214 1.00 27.36 C ATOM 2208 CD2 PHE B 26 20.598 -3.362 26.781 1.00 20.86 C ATOM 2209 CE1 PHE B 26 18.670 -2.827 24.856 1.00 28.85 C ATOM 2210 CE2 PHE B 26 20.917 -3.465 25.427 1.00 24.77 C ATOM 2211 CZ PHE B 26 19.952 -3.197 24.462 1.00 26.79 C ATOM 2212 HA PHE B 26 19.207 -4.983 28.900 1.00 0.00 H ATOM 2213 HB2 PHE B 26 18.150 -2.165 28.736 1.00 0.00 H ATOM 2214 HB3 PHE B 26 19.856 -2.447 29.154 1.00 0.00 H ATOM 2215 HD2 PHE B 26 21.359 -3.574 27.532 1.00 0.00 H ATOM 2216 HE2 PHE B 26 21.923 -3.756 25.125 1.00 0.00 H ATOM 2217 HZ PHE B 26 20.199 -3.276 23.403 1.00 0.00 H ATOM 2218 HE1 PHE B 26 17.908 -2.615 24.106 1.00 0.00 H ATOM 2219 HD1 PHE B 26 17.356 -2.440 26.517 1.00 0.00 H ATOM 2220 H PHE B 26 16.563 -3.735 28.737 1.00 0.00 H ATOM 2221 N GLY B 27 20.040 -4.501 31.218 1.00 26.57 N ATOM 2222 CA GLY B 27 20.412 -4.410 32.616 1.00 21.17 C ATOM 2223 C GLY B 27 21.852 -3.945 32.754 1.00 19.51 C ATOM 2224 O GLY B 27 22.692 -4.226 31.893 1.00 21.24 O ATOM 2225 HA3 GLY B 27 20.305 -5.390 33.081 1.00 0.00 H ATOM 2226 HA2 GLY B 27 19.755 -3.699 33.117 1.00 0.00 H ATOM 2227 H GLY B 27 20.701 -4.925 30.536 1.00 0.00 H ATOM 2228 N ILE B 28 22.148 -3.247 33.844 1.00 11.72 N ATOM 2229 CA ILE B 28 23.491 -2.743 34.075 1.00 9.71 C ATOM 2230 C ILE B 28 24.511 -3.864 34.227 1.00 11.26 C ATOM 2231 O ILE B 28 24.268 -4.855 34.927 1.00 14.18 O ATOM 2232 CB ILE B 28 23.545 -1.852 35.345 1.00 14.55 C ATOM 2233 CG1 ILE B 28 22.898 -0.495 35.051 1.00 13.28 C ATOM 2234 CG2 ILE B 28 24.991 -1.686 35.809 1.00 10.67 C ATOM 2235 CD1 ILE B 28 23.377 0.645 35.924 1.00 17.12 C ATOM 2236 HA ILE B 28 23.746 -2.153 33.195 1.00 0.00 H ATOM 2237 HB ILE B 28 22.987 -2.331 36.150 1.00 0.00 H ATOM 2238 HG12 ILE B 28 23.108 -0.238 34.013 1.00 0.00 H ATOM 2239 HG13 ILE B 28 21.821 -0.597 35.188 1.00 0.00 H ATOM 2240 HD11 ILE B 28 23.163 0.416 36.968 1.00 0.00 H ATOM 2241 HD12 ILE B 28 24.451 0.775 35.792 1.00 0.00 H ATOM 2242 HD13 ILE B 28 22.861 1.561 35.638 1.00 0.00 H ATOM 2243 HG21 ILE B 28 25.412 -2.665 36.040 1.00 0.00 H ATOM 2244 HG22 ILE B 28 25.574 -1.216 35.017 1.00 0.00 H ATOM 2245 HG23 ILE B 28 25.016 -1.059 36.700 1.00 0.00 H ATOM 2246 H ILE B 28 21.404 -3.057 34.546 1.00 0.00 H ATOM 2247 N VAL B 29 25.650 -3.710 33.558 1.00 7.65 N ATOM 2248 CA VAL B 29 26.726 -4.691 33.660 1.00 14.88 C ATOM 2249 C VAL B 29 27.816 -4.011 34.472 1.00 16.73 C ATOM 2250 O VAL B 29 28.526 -4.646 35.259 1.00 16.31 O ATOM 2251 CB VAL B 29 27.331 -5.063 32.282 1.00 10.23 C ATOM 2252 CG1 VAL B 29 28.678 -5.719 32.483 1.00 19.95 C ATOM 2253 CG2 VAL B 29 26.429 -6.010 31.533 1.00 12.01 C ATOM 2254 HA VAL B 29 26.340 -5.609 34.103 1.00 0.00 H ATOM 2255 HB VAL B 29 27.440 -4.149 31.698 1.00 0.00 H ATOM 2256 HG11 VAL B 29 29.344 -5.027 32.998 1.00 0.00 H ATOM 2257 HG12 VAL B 29 28.555 -6.621 33.082 1.00 0.00 H ATOM 2258 HG13 VAL B 29 29.102 -5.980 31.513 1.00 0.00 H ATOM 2259 HG21 VAL B 29 26.298 -6.922 32.115 1.00 0.00 H ATOM 2260 HG22 VAL B 29 25.460 -5.537 31.373 1.00 0.00 H ATOM 2261 HG23 VAL B 29 26.879 -6.253 30.570 1.00 0.00 H ATOM 2262 H VAL B 29 25.776 -2.875 32.951 1.00 0.00 H ATOM 2263 N PHE B 30 27.932 -2.703 34.269 1.00 17.88 N ATOM 2264 CA PHE B 30 28.939 -1.901 34.940 1.00 14.86 C ATOM 2265 C PHE B 30 28.426 -0.488 35.001 1.00 11.45 C ATOM 2266 O PHE B 30 27.696 -0.057 34.126 1.00 13.87 O ATOM 2267 CB PHE B 30 30.244 -1.940 34.134 1.00 23.15 C ATOM 2268 CG PHE B 30 31.304 -0.981 34.618 1.00 24.14 C ATOM 2269 CD1 PHE B 30 32.312 -1.416 35.475 1.00 16.72 C ATOM 2270 CD2 PHE B 30 31.285 0.356 34.229 1.00 22.03 C ATOM 2271 CE1 PHE B 30 33.282 -0.535 35.944 1.00 20.41 C ATOM 2272 CE2 PHE B 30 32.253 1.247 34.691 1.00 26.02 C ATOM 2273 CZ PHE B 30 33.252 0.801 35.552 1.00 24.19 C ATOM 2274 HA PHE B 30 29.134 -2.283 35.942 1.00 0.00 H ATOM 2275 HB2 PHE B 30 30.648 -2.951 34.188 1.00 0.00 H ATOM 2276 HB3 PHE B 30 30.012 -1.697 33.097 1.00 0.00 H ATOM 2277 HD2 PHE B 30 30.504 0.710 33.556 1.00 0.00 H ATOM 2278 HE2 PHE B 30 32.228 2.291 34.379 1.00 0.00 H ATOM 2279 HZ PHE B 30 34.008 1.495 35.918 1.00 0.00 H ATOM 2280 HE1 PHE B 30 34.063 -0.890 36.616 1.00 0.00 H ATOM 2281 HD1 PHE B 30 32.342 -2.461 35.783 1.00 0.00 H ATOM 2282 H PHE B 30 27.279 -2.238 33.607 1.00 0.00 H ATOM 2283 N ARG B 31 28.800 0.217 36.056 1.00 13.47 N ATOM 2284 CA ARG B 31 28.433 1.609 36.233 1.00 17.21 C ATOM 2285 C ARG B 31 29.515 2.253 37.092 1.00 20.62 C ATOM 2286 O ARG B 31 29.877 1.749 38.159 1.00 19.18 O ATOM 2287 CB ARG B 31 27.065 1.754 36.909 1.00 18.27 C ATOM 2288 CG ARG B 31 26.746 3.189 37.336 1.00 13.66 C ATOM 2289 CD ARG B 31 25.260 3.456 37.418 1.00 14.65 C ATOM 2290 NE ARG B 31 24.980 4.797 37.925 1.00 22.12 N ATOM 2291 CZ ARG B 31 23.756 5.281 38.129 1.00 27.87 C ATOM 2292 NH1 ARG B 31 22.686 4.536 37.870 1.00 24.75 N ATOM 2293 NH2 ARG B 31 23.597 6.513 38.600 1.00 25.95 N ATOM 2294 HA ARG B 31 28.355 2.096 35.261 1.00 0.00 H ATOM 2295 HB2 ARG B 31 26.297 1.423 36.210 1.00 0.00 H ATOM 2296 HB3 ARG B 31 27.048 1.118 37.794 1.00 0.00 H ATOM 2297 HG2 ARG B 31 27.187 3.368 38.316 1.00 0.00 H ATOM 2298 HG3 ARG B 31 27.184 3.875 36.611 1.00 0.00 H ATOM 2299 HD2 ARG B 31 24.805 2.724 38.085 1.00 0.00 H ATOM 2300 HD3 ARG B 31 24.827 3.357 36.422 1.00 0.00 H ATOM 2301 HE ARG B 31 25.789 5.414 38.141 1.00 0.00 H ATOM 2302 HH12 ARG B 31 21.733 4.920 38.032 1.00 0.00 H ATOM 2303 HH11 ARG B 31 22.802 3.569 37.506 1.00 0.00 H ATOM 2304 HH22 ARG B 31 22.641 6.890 38.759 1.00 0.00 H ATOM 2305 HH21 ARG B 31 24.429 7.101 38.810 1.00 0.00 H ATOM 2306 H ARG B 31 29.379 -0.244 36.786 1.00 0.00 H ATOM 2307 N ASP B 32 30.043 3.358 36.586 1.00 30.09 N ATOM 2308 CA ASP B 32 31.087 4.138 37.246 1.00 31.99 C ATOM 2309 C ASP B 32 30.470 5.524 37.338 1.00 24.69 C ATOM 2310 O ASP B 32 29.274 5.681 37.094 1.00 28.58 O ATOM 2311 CB ASP B 32 32.347 4.186 36.362 1.00 34.68 C ATOM 2312 CG ASP B 32 33.631 3.941 37.143 1.00 38.73 C ATOM 2313 OD1 ASP B 32 33.567 3.698 38.364 1.00 46.70 O ATOM 2314 OD2 ASP B 32 34.715 3.997 36.533 1.00 36.63 O ATOM 2315 HA ASP B 32 31.389 3.729 38.210 1.00 0.00 H ATOM 2316 HB2 ASP B 32 32.259 3.422 35.589 1.00 0.00 H ATOM 2317 HB3 ASP B 32 32.407 5.169 35.895 1.00 0.00 H ATOM 2318 H ASP B 32 29.693 3.690 35.664 1.00 0.00 H ATOM 2319 N ALA B 33 31.271 6.526 37.672 1.00 23.71 N ATOM 2320 CA ALA B 33 30.754 7.887 37.756 1.00 22.29 C ATOM 2321 C ALA B 33 30.706 8.508 36.363 1.00 22.96 C ATOM 2322 O ALA B 33 29.817 9.301 36.066 1.00 25.81 O ATOM 2323 CB ALA B 33 31.622 8.731 38.678 1.00 21.37 C ATOM 2324 HA ALA B 33 29.745 7.855 38.168 1.00 0.00 H ATOM 2325 HB1 ALA B 33 31.626 8.291 39.675 1.00 0.00 H ATOM 2326 HB2 ALA B 33 32.640 8.762 38.289 1.00 0.00 H ATOM 2327 HB3 ALA B 33 31.220 9.743 38.728 1.00 0.00 H ATOM 2328 H ALA B 33 32.274 6.340 37.875 1.00 0.00 H ATOM 2329 N GLY B 34 31.656 8.141 35.507 1.00 20.28 N ATOM 2330 CA GLY B 34 31.676 8.690 34.165 1.00 18.52 C ATOM 2331 C GLY B 34 31.492 7.684 33.045 1.00 20.93 C ATOM 2332 O GLY B 34 31.699 8.021 31.882 1.00 21.51 O ATOM 2333 HA3 GLY B 34 32.636 9.184 34.018 1.00 0.00 H ATOM 2334 HA2 GLY B 34 30.875 9.426 34.091 1.00 0.00 H ATOM 2335 H GLY B 34 32.385 7.460 35.801 1.00 0.00 H ATOM 2336 N TRP B 35 31.090 6.460 33.377 1.00 21.09 N ATOM 2337 CA TRP B 35 30.911 5.425 32.358 1.00 27.10 C ATOM 2338 C TRP B 35 29.927 4.334 32.769 1.00 33.17 C ATOM 2339 O TRP B 35 30.052 3.762 33.854 1.00 43.21 O ATOM 2340 CB TRP B 35 32.256 4.780 32.045 1.00 20.42 C ATOM 2341 CG TRP B 35 32.281 4.047 30.755 1.00 18.02 C ATOM 2342 CD1 TRP B 35 32.008 2.723 30.557 1.00 26.63 C ATOM 2343 CD2 TRP B 35 32.624 4.583 29.468 1.00 23.90 C ATOM 2344 NE1 TRP B 35 32.161 2.399 29.226 1.00 27.63 N ATOM 2345 CE2 TRP B 35 32.538 3.524 28.536 1.00 23.92 C ATOM 2346 CE3 TRP B 35 32.997 5.857 29.013 1.00 21.77 C ATOM 2347 CZ2 TRP B 35 32.810 3.699 27.175 1.00 24.27 C ATOM 2348 CZ3 TRP B 35 33.268 6.031 27.654 1.00 18.59 C ATOM 2349 CH2 TRP B 35 33.172 4.957 26.754 1.00 22.40 C ATOM 2350 HA TRP B 35 30.496 5.922 31.481 1.00 0.00 H ATOM 2351 HB2 TRP B 35 33.014 5.563 32.011 1.00 0.00 H ATOM 2352 HB3 TRP B 35 32.496 4.079 32.844 1.00 0.00 H ATOM 2353 HE1 TRP B 35 32.015 1.456 28.812 1.00 0.00 H ATOM 2354 HD1 TRP B 35 31.712 2.024 31.339 1.00 0.00 H ATOM 2355 HZ2 TRP B 35 32.738 2.868 26.473 1.00 0.00 H ATOM 2356 HH2 TRP B 35 33.389 5.124 25.699 1.00 0.00 H ATOM 2357 HZ3 TRP B 35 33.558 7.015 27.286 1.00 0.00 H ATOM 2358 HE3 TRP B 35 33.074 6.694 29.707 1.00 0.00 H ATOM 2359 H TRP B 35 30.900 6.236 34.375 1.00 0.00 H ATOM 2360 N MET B 36 28.965 4.032 31.896 1.00 29.65 N ATOM 2361 CA MET B 36 27.962 2.998 32.173 1.00 23.33 C ATOM 2362 C MET B 36 27.887 1.980 31.040 1.00 21.74 C ATOM 2363 O MET B 36 28.048 2.331 29.875 1.00 25.32 O ATOM 2364 CB MET B 36 26.585 3.640 32.353 1.00 24.08 C ATOM 2365 CG MET B 36 25.807 3.091 33.532 1.00 15.43 C ATOM 2366 SD MET B 36 24.061 2.882 33.253 1.00 17.39 S ATOM 2367 CE MET B 36 23.567 4.502 32.608 1.00 17.46 C ATOM 2368 HA MET B 36 28.260 2.485 33.087 1.00 0.00 H ATOM 2369 HB2 MET B 36 26.721 4.712 32.499 1.00 0.00 H ATOM 2370 HB3 MET B 36 26.004 3.469 31.447 1.00 0.00 H ATOM 2371 HG2 MET B 36 25.936 3.776 34.370 1.00 0.00 H ATOM 2372 HG3 MET B 36 26.227 2.119 33.791 1.00 0.00 H ATOM 2373 HE1 MET B 36 23.788 5.270 33.350 1.00 0.00 H ATOM 2374 HE2 MET B 36 24.119 4.711 31.692 1.00 0.00 H ATOM 2375 HE3 MET B 36 22.498 4.497 32.396 1.00 0.00 H ATOM 2376 H MET B 36 28.925 4.545 30.992 1.00 0.00 H ATOM 2377 N ILE B 37 27.647 0.719 31.378 1.00 19.35 N ATOM 2378 CA ILE B 37 27.542 -0.332 30.364 1.00 16.34 C ATOM 2379 C ILE B 37 26.251 -1.090 30.580 1.00 18.50 C ATOM 2380 O ILE B 37 26.044 -1.661 31.643 1.00 30.69 O ATOM 2381 CB ILE B 37 28.675 -1.366 30.462 1.00 6.06 C ATOM 2382 CG1 ILE B 37 30.027 -0.701 30.230 1.00 14.47 C ATOM 2383 CG2 ILE B 37 28.464 -2.443 29.434 1.00 5.30 C ATOM 2384 CD1 ILE B 37 31.192 -1.699 30.133 1.00 15.67 C ATOM 2385 HA ILE B 37 27.590 0.161 29.393 1.00 0.00 H ATOM 2386 HB ILE B 37 28.665 -1.802 31.461 1.00 0.00 H ATOM 2387 HG12 ILE B 37 29.979 -0.135 29.300 1.00 0.00 H ATOM 2388 HG13 ILE B 37 30.224 -0.020 31.058 1.00 0.00 H ATOM 2389 HD11 ILE B 37 31.261 -2.266 31.061 1.00 0.00 H ATOM 2390 HD12 ILE B 37 31.016 -2.381 29.301 1.00 0.00 H ATOM 2391 HD13 ILE B 37 32.122 -1.155 29.968 1.00 0.00 H ATOM 2392 HG21 ILE B 37 27.508 -2.934 29.615 1.00 0.00 H ATOM 2393 HG22 ILE B 37 28.463 -1.998 28.439 1.00 0.00 H ATOM 2394 HG23 ILE B 37 29.269 -3.175 29.506 1.00 0.00 H ATOM 2395 H ILE B 37 27.531 0.473 32.382 1.00 0.00 H ATOM 2396 N LEU B 38 25.378 -1.094 29.582 1.00 17.44 N ATOM 2397 CA LEU B 38 24.123 -1.813 29.698 1.00 16.95 C ATOM 2398 C LEU B 38 24.178 -3.010 28.765 1.00 20.99 C ATOM 2399 O LEU B 38 24.798 -2.946 27.707 1.00 24.86 O ATOM 2400 CB LEU B 38 22.966 -0.904 29.319 1.00 16.19 C ATOM 2401 CG LEU B 38 22.862 0.356 30.173 1.00 17.45 C ATOM 2402 CD1 LEU B 38 21.508 0.993 29.955 1.00 17.57 C ATOM 2403 CD2 LEU B 38 23.058 0.006 31.636 1.00 2.60 C ATOM 2404 HA LEU B 38 23.971 -2.145 30.725 1.00 0.00 H ATOM 2405 HB2 LEU B 38 23.092 -0.604 28.279 1.00 0.00 H ATOM 2406 HB3 LEU B 38 22.039 -1.467 29.424 1.00 0.00 H ATOM 2407 HG LEU B 38 23.639 1.063 29.883 1.00 0.00 H ATOM 2408 HD21 LEU B 38 22.290 -0.703 31.945 1.00 0.00 H ATOM 2409 HD22 LEU B 38 24.043 -0.441 31.773 1.00 0.00 H ATOM 2410 HD23 LEU B 38 22.982 0.911 32.238 1.00 0.00 H ATOM 2411 HD11 LEU B 38 21.395 1.253 28.902 1.00 0.00 H ATOM 2412 HD12 LEU B 38 20.726 0.290 30.242 1.00 0.00 H ATOM 2413 HD13 LEU B 38 21.430 1.894 30.564 1.00 0.00 H ATOM 2414 H LEU B 38 25.595 -0.576 28.707 1.00 0.00 H ATOM 2415 N GLN B 39 23.536 -4.104 29.152 1.00 25.30 N ATOM 2416 CA GLN B 39 23.553 -5.303 28.332 1.00 28.87 C ATOM 2417 C GLN B 39 22.213 -6.026 28.225 1.00 31.72 C ATOM 2418 O GLN B 39 21.357 -5.947 29.114 1.00 35.86 O ATOM 2419 CB GLN B 39 24.596 -6.271 28.867 1.00 25.58 C ATOM 2420 CG GLN B 39 24.481 -7.661 28.305 1.00 32.77 C ATOM 2421 CD GLN B 39 25.831 -8.288 28.041 1.00 44.93 C ATOM 2422 OE1 GLN B 39 26.793 -8.060 28.779 1.00 43.36 O ATOM 2423 NE2 GLN B 39 25.912 -9.087 26.983 1.00 47.34 N ATOM 2424 HA GLN B 39 23.795 -4.964 27.325 1.00 0.00 H ATOM 2425 HB2 GLN B 39 25.584 -5.882 28.622 1.00 0.00 H ATOM 2426 HB3 GLN B 39 24.488 -6.328 29.950 1.00 0.00 H ATOM 2427 HG2 GLN B 39 23.939 -8.283 29.017 1.00 0.00 H ATOM 2428 HG3 GLN B 39 23.926 -7.615 27.368 1.00 0.00 H ATOM 2429 HE22 GLN B 39 25.074 -9.250 26.389 1.00 0.00 H ATOM 2430 HE21 GLN B 39 26.813 -9.550 26.749 1.00 0.00 H ATOM 2431 H GLN B 39 23.015 -4.104 30.052 1.00 0.00 H ATOM 2432 N ARG B 40 22.047 -6.739 27.119 1.00 27.94 N ATOM 2433 CA ARG B 40 20.832 -7.495 26.876 1.00 25.02 C ATOM 2434 C ARG B 40 21.172 -8.633 25.938 1.00 23.14 C ATOM 2435 O ARG B 40 21.246 -8.452 24.726 1.00 25.74 O ATOM 2436 CB ARG B 40 19.774 -6.608 26.243 1.00 16.64 C ATOM 2437 CG ARG B 40 18.467 -7.309 26.100 1.00 18.59 C ATOM 2438 CD ARG B 40 17.636 -6.682 25.019 1.00 17.35 C ATOM 2439 NE ARG B 40 16.230 -6.670 25.387 1.00 6.19 N ATOM 2440 CZ ARG B 40 15.292 -7.366 24.758 1.00 27.19 C ATOM 2441 NH1 ARG B 40 15.609 -8.135 23.724 1.00 39.88 N ATOM 2442 NH2 ARG B 40 14.034 -7.292 25.160 1.00 35.10 N ATOM 2443 HA ARG B 40 20.437 -7.877 27.817 1.00 0.00 H ATOM 2444 HB2 ARG B 40 19.634 -5.727 26.869 1.00 0.00 H ATOM 2445 HB3 ARG B 40 20.118 -6.300 25.256 1.00 0.00 H ATOM 2446 HG2 ARG B 40 18.648 -8.354 25.850 1.00 0.00 H ATOM 2447 HG3 ARG B 40 17.926 -7.251 27.045 1.00 0.00 H ATOM 2448 HD2 ARG B 40 17.759 -7.252 24.098 1.00 0.00 H ATOM 2449 HD3 ARG B 40 17.972 -5.658 24.859 1.00 0.00 H ATOM 2450 HE ARG B 40 15.942 -6.079 26.193 1.00 0.00 H ATOM 2451 HH12 ARG B 40 14.870 -8.679 23.234 1.00 0.00 H ATOM 2452 HH11 ARG B 40 16.597 -8.194 23.403 1.00 0.00 H ATOM 2453 HH22 ARG B 40 13.298 -7.837 24.668 1.00 0.00 H ATOM 2454 HH21 ARG B 40 13.781 -6.689 25.968 1.00 0.00 H ATOM 2455 H ARG B 40 22.806 -6.757 26.408 1.00 0.00 H ATOM 2456 N GLY B 41 21.377 -9.814 26.500 1.00 19.69 N ATOM 2457 CA GLY B 41 21.739 -10.934 25.667 1.00 22.35 C ATOM 2458 C GLY B 41 23.138 -10.665 25.146 1.00 27.80 C ATOM 2459 O GLY B 41 24.096 -10.565 25.923 1.00 25.32 O ATOM 2460 HA3 GLY B 41 21.040 -11.024 24.835 1.00 0.00 H ATOM 2461 HA2 GLY B 41 21.727 -11.854 26.251 1.00 0.00 H ATOM 2462 H GLY B 41 21.278 -9.932 27.529 1.00 0.00 H ATOM 2463 N ASP B 42 23.261 -10.523 23.832 1.00 27.96 N ATOM 2464 CA ASP B 42 24.557 -10.270 23.222 1.00 27.23 C ATOM 2465 C ASP B 42 24.722 -8.801 22.855 1.00 27.49 C ATOM 2466 O ASP B 42 25.804 -8.364 22.462 1.00 27.55 O ATOM 2467 CB ASP B 42 24.718 -11.156 21.992 1.00 34.05 C ATOM 2468 CG ASP B 42 24.246 -12.576 22.243 1.00 34.24 C ATOM 2469 OD1 ASP B 42 24.945 -13.314 22.984 1.00 26.68 O ATOM 2470 OD2 ASP B 42 23.176 -12.942 21.704 1.00 24.42 O ATOM 2471 HA ASP B 42 25.336 -10.511 23.945 1.00 0.00 H ATOM 2472 HB2 ASP B 42 24.135 -10.731 21.174 1.00 0.00 H ATOM 2473 HB3 ASP B 42 25.771 -11.180 21.712 1.00 0.00 H ATOM 2474 H ASP B 42 22.417 -10.594 23.229 1.00 0.00 H ATOM 2475 N LEU B 43 23.637 -8.043 22.982 1.00 31.05 N ATOM 2476 CA LEU B 43 23.669 -6.617 22.689 1.00 29.03 C ATOM 2477 C LEU B 43 24.327 -5.954 23.887 1.00 27.82 C ATOM 2478 O LEU B 43 24.082 -6.343 25.034 1.00 30.32 O ATOM 2479 CB LEU B 43 22.253 -6.054 22.533 1.00 31.40 C ATOM 2480 CG LEU B 43 21.324 -6.604 21.457 1.00 29.36 C ATOM 2481 CD1 LEU B 43 19.926 -6.018 21.646 1.00 28.95 C ATOM 2482 CD2 LEU B 43 21.873 -6.245 20.090 1.00 35.37 C ATOM 2483 HA LEU B 43 24.207 -6.433 21.759 1.00 0.00 H ATOM 2484 HB2 LEU B 43 21.749 -6.202 23.488 1.00 0.00 H ATOM 2485 HB3 LEU B 43 22.359 -4.986 22.341 1.00 0.00 H ATOM 2486 HG LEU B 43 21.262 -7.689 21.537 1.00 0.00 H ATOM 2487 HD21 LEU B 43 21.937 -5.161 19.999 1.00 0.00 H ATOM 2488 HD22 LEU B 43 22.866 -6.680 19.973 1.00 0.00 H ATOM 2489 HD23 LEU B 43 21.210 -6.638 19.319 1.00 0.00 H ATOM 2490 HD11 LEU B 43 19.548 -6.294 22.630 1.00 0.00 H ATOM 2491 HD12 LEU B 43 19.975 -4.932 21.565 1.00 0.00 H ATOM 2492 HD13 LEU B 43 19.262 -6.411 20.877 1.00 0.00 H ATOM 2493 H LEU B 43 22.746 -8.478 23.297 1.00 0.00 H ATOM 2494 N MET B 44 25.164 -4.960 23.621 1.00 22.82 N ATOM 2495 CA MET B 44 25.838 -4.245 24.688 1.00 20.57 C ATOM 2496 C MET B 44 26.220 -2.814 24.282 1.00 21.23 C ATOM 2497 O MET B 44 27.095 -2.598 23.435 1.00 13.26 O ATOM 2498 CB MET B 44 27.079 -5.025 25.137 1.00 18.61 C ATOM 2499 CG MET B 44 28.361 -4.196 25.175 1.00 29.66 C ATOM 2500 SD MET B 44 29.365 -4.391 26.648 1.00 29.87 S ATOM 2501 CE MET B 44 30.601 -5.590 26.043 1.00 35.63 C ATOM 2502 HA MET B 44 25.139 -4.163 25.520 1.00 0.00 H ATOM 2503 HB2 MET B 44 26.894 -5.415 26.138 1.00 0.00 H ATOM 2504 HB3 MET B 44 27.229 -5.855 24.447 1.00 0.00 H ATOM 2505 HG2 MET B 44 28.084 -3.145 25.094 1.00 0.00 H ATOM 2506 HG3 MET B 44 28.968 -4.477 24.315 1.00 0.00 H ATOM 2507 HE1 MET B 44 30.096 -6.503 25.729 1.00 0.00 H ATOM 2508 HE2 MET B 44 31.138 -5.161 25.197 1.00 0.00 H ATOM 2509 HE3 MET B 44 31.305 -5.819 26.843 1.00 0.00 H ATOM 2510 H MET B 44 25.340 -4.689 22.632 1.00 0.00 H ATOM 2511 N LEU B 45 25.542 -1.843 24.890 1.00 19.94 N ATOM 2512 CA LEU B 45 25.807 -0.430 24.638 1.00 24.14 C ATOM 2513 C LEU B 45 26.645 0.104 25.801 1.00 19.90 C ATOM 2514 O LEU B 45 26.654 -0.474 26.887 1.00 19.23 O ATOM 2515 CB LEU B 45 24.501 0.373 24.546 1.00 23.04 C ATOM 2516 CG LEU B 45 23.352 -0.159 23.684 1.00 27.95 C ATOM 2517 CD1 LEU B 45 22.071 -0.182 24.501 1.00 23.07 C ATOM 2518 CD2 LEU B 45 23.166 0.720 22.463 1.00 10.89 C ATOM 2519 HA LEU B 45 26.333 -0.325 23.689 1.00 0.00 H ATOM 2520 HB2 LEU B 45 24.117 0.473 25.561 1.00 0.00 H ATOM 2521 HB3 LEU B 45 24.760 1.358 24.158 1.00 0.00 H ATOM 2522 HG LEU B 45 23.591 -1.171 23.357 1.00 0.00 H ATOM 2523 HD21 LEU B 45 22.934 1.737 22.781 1.00 0.00 H ATOM 2524 HD22 LEU B 45 24.084 0.722 21.875 1.00 0.00 H ATOM 2525 HD23 LEU B 45 22.346 0.331 21.859 1.00 0.00 H ATOM 2526 HD11 LEU B 45 22.205 -0.830 25.367 1.00 0.00 H ATOM 2527 HD12 LEU B 45 21.836 0.829 24.835 1.00 0.00 H ATOM 2528 HD13 LEU B 45 21.255 -0.561 23.885 1.00 0.00 H ATOM 2529 H LEU B 45 24.797 -2.100 25.569 1.00 0.00 H ATOM 2530 N GLU B 46 27.346 1.205 25.566 1.00 15.71 N ATOM 2531 CA GLU B 46 28.191 1.810 26.586 1.00 16.57 C ATOM 2532 C GLU B 46 27.887 3.293 26.567 1.00 12.87 C ATOM 2533 O GLU B 46 27.731 3.873 25.494 1.00 18.16 O ATOM 2534 CB GLU B 46 29.664 1.533 26.259 1.00 13.03 C ATOM 2535 CG GLU B 46 29.937 0.038 26.059 1.00 8.69 C ATOM 2536 CD GLU B 46 31.416 -0.334 26.097 1.00 15.73 C ATOM 2537 OE1 GLU B 46 32.204 0.354 26.787 1.00 19.23 O ATOM 2538 OE2 GLU B 46 31.790 -1.326 25.430 1.00 2.00 O ATOM 2539 HA GLU B 46 27.999 1.399 27.577 1.00 0.00 H ATOM 2540 HB2 GLU B 46 29.928 2.065 25.345 1.00 0.00 H ATOM 2541 HB3 GLU B 46 30.281 1.897 27.080 1.00 0.00 H ATOM 2542 HG2 GLU B 46 29.425 -0.513 26.848 1.00 0.00 H ATOM 2543 HG3 GLU B 46 29.534 -0.258 25.090 1.00 0.00 H ATOM 2544 H GLU B 46 27.291 1.649 24.627 1.00 0.00 H ATOM 2545 N PHE B 47 27.797 3.912 27.739 1.00 12.96 N ATOM 2546 CA PHE B 47 27.448 5.324 27.796 1.00 14.91 C ATOM 2547 C PHE B 47 28.488 6.197 28.451 1.00 20.18 C ATOM 2548 O PHE B 47 29.359 5.709 29.169 1.00 21.73 O ATOM 2549 CB PHE B 47 26.119 5.495 28.530 1.00 19.91 C ATOM 2550 CG PHE B 47 24.945 4.883 27.817 1.00 19.78 C ATOM 2551 CD1 PHE B 47 24.818 3.500 27.729 1.00 19.65 C ATOM 2552 CD2 PHE B 47 23.972 5.686 27.232 1.00 9.68 C ATOM 2553 CE1 PHE B 47 23.739 2.919 27.070 1.00 19.72 C ATOM 2554 CE2 PHE B 47 22.895 5.117 26.573 1.00 25.18 C ATOM 2555 CZ PHE B 47 22.775 3.726 26.490 1.00 24.90 C ATOM 2556 HA PHE B 47 27.377 5.654 26.760 1.00 0.00 H ATOM 2557 HB2 PHE B 47 26.206 5.028 29.511 1.00 0.00 H ATOM 2558 HB3 PHE B 47 25.929 6.561 28.652 1.00 0.00 H ATOM 2559 HD2 PHE B 47 24.058 6.771 27.293 1.00 0.00 H ATOM 2560 HE2 PHE B 47 22.138 5.756 26.117 1.00 0.00 H ATOM 2561 HZ PHE B 47 21.927 3.279 25.971 1.00 0.00 H ATOM 2562 HE1 PHE B 47 23.653 1.834 27.011 1.00 0.00 H ATOM 2563 HD1 PHE B 47 25.576 2.862 28.184 1.00 0.00 H ATOM 2564 H PHE B 47 27.976 3.386 28.618 1.00 0.00 H ATOM 2565 N PHE B 48 28.391 7.498 28.190 1.00 21.69 N ATOM 2566 CA PHE B 48 29.306 8.470 28.769 1.00 25.98 C ATOM 2567 C PHE B 48 28.560 9.764 29.077 1.00 32.84 C ATOM 2568 O PHE B 48 27.550 10.091 28.441 1.00 37.56 O ATOM 2569 CB PHE B 48 30.502 8.740 27.835 1.00 19.58 C ATOM 2570 CG PHE B 48 30.138 9.403 26.526 1.00 20.39 C ATOM 2571 CD1 PHE B 48 29.986 10.781 26.441 1.00 21.71 C ATOM 2572 CD2 PHE B 48 29.979 8.650 25.372 1.00 22.29 C ATOM 2573 CE1 PHE B 48 29.681 11.399 25.219 1.00 24.64 C ATOM 2574 CE2 PHE B 48 29.676 9.256 24.150 1.00 20.73 C ATOM 2575 CZ PHE B 48 29.526 10.631 24.073 1.00 19.23 C ATOM 2576 HA PHE B 48 29.702 8.058 29.697 1.00 0.00 H ATOM 2577 HB2 PHE B 48 31.205 9.386 28.360 1.00 0.00 H ATOM 2578 HB3 PHE B 48 30.982 7.787 27.612 1.00 0.00 H ATOM 2579 HD2 PHE B 48 30.092 7.567 25.419 1.00 0.00 H ATOM 2580 HE2 PHE B 48 29.557 8.645 23.255 1.00 0.00 H ATOM 2581 HZ PHE B 48 29.288 11.106 23.121 1.00 0.00 H ATOM 2582 HE1 PHE B 48 29.566 12.482 25.169 1.00 0.00 H ATOM 2583 HD1 PHE B 48 30.105 11.391 27.336 1.00 0.00 H ATOM 2584 H PHE B 48 27.639 7.830 27.553 1.00 0.00 H ATOM 2585 N ALA B 49 29.059 10.495 30.065 1.00 37.46 N ATOM 2586 CA ALA B 49 28.443 11.744 30.475 1.00 35.31 C ATOM 2587 C ALA B 49 28.622 12.844 29.438 1.00 33.63 C ATOM 2588 O ALA B 49 29.739 13.155 29.038 1.00 34.26 O ATOM 2589 CB ALA B 49 29.027 12.187 31.811 1.00 37.74 C ATOM 2590 HA ALA B 49 27.372 11.567 30.576 1.00 0.00 H ATOM 2591 HB1 ALA B 49 28.832 11.422 32.563 1.00 0.00 H ATOM 2592 HB2 ALA B 49 30.103 12.330 31.706 1.00 0.00 H ATOM 2593 HB3 ALA B 49 28.563 13.125 32.116 1.00 0.00 H ATOM 2594 H ALA B 49 29.913 10.165 30.558 1.00 0.00 H ATOM 2595 N HIS B 50 27.508 13.428 29.009 1.00 37.44 N ATOM 2596 CA HIS B 50 27.519 14.519 28.035 1.00 39.16 C ATOM 2597 C HIS B 50 26.391 15.493 28.380 1.00 37.71 C ATOM 2598 O HIS B 50 25.396 15.597 27.660 1.00 36.53 O ATOM 2599 CB HIS B 50 27.325 13.978 26.616 1.00 38.67 C ATOM 2600 CG HIS B 50 27.637 14.978 25.546 1.00 39.31 C ATOM 2601 ND1 HIS B 50 28.075 16.254 25.825 1.00 31.43 N ATOM 2602 CD2 HIS B 50 27.580 14.885 24.195 1.00 32.71 C ATOM 2603 CE1 HIS B 50 28.276 16.905 24.693 1.00 35.05 C ATOM 2604 NE2 HIS B 50 27.982 16.096 23.690 1.00 36.53 N ATOM 2605 HA HIS B 50 28.481 15.030 28.074 1.00 0.00 H ATOM 2606 HB2 HIS B 50 27.978 13.116 26.483 1.00 0.00 H ATOM 2607 HB3 HIS B 50 26.287 13.666 26.505 1.00 0.00 H ATOM 2608 HD2 HIS B 50 27.273 14.013 23.618 1.00 0.00 H ATOM 2609 HE1 HIS B 50 28.625 17.934 24.602 1.00 0.00 H ATOM 2610 H HIS B 50 26.594 13.097 29.380 1.00 0.00 H ATOM 2611 N PRO B 51 26.542 16.224 29.493 1.00 35.76 N ATOM 2612 CA PRO B 51 25.555 17.197 29.968 1.00 35.48 C ATOM 2613 C PRO B 51 25.241 18.344 29.004 1.00 34.79 C ATOM 2614 O PRO B 51 24.089 18.756 28.885 1.00 32.58 O ATOM 2615 CB PRO B 51 26.149 17.696 31.287 1.00 31.96 C ATOM 2616 CG PRO B 51 27.599 17.414 31.182 1.00 34.97 C ATOM 2617 CD PRO B 51 27.717 16.164 30.379 1.00 35.40 C ATOM 2618 HA PRO B 51 24.577 16.728 30.073 1.00 0.00 H ATOM 2619 HD3 PRO B 51 28.642 16.155 29.803 1.00 0.00 H ATOM 2620 HD2 PRO B 51 27.680 15.282 31.019 1.00 0.00 H ATOM 2621 HG3 PRO B 51 28.030 17.270 32.173 1.00 0.00 H ATOM 2622 HG2 PRO B 51 28.110 18.236 30.681 1.00 0.00 H ATOM 2623 HB2 PRO B 51 25.973 18.765 31.407 1.00 0.00 H ATOM 2624 HB3 PRO B 51 25.714 17.161 32.131 1.00 0.00 H ATOM 2625 N GLY B 52 26.255 18.857 28.315 1.00 35.92 N ATOM 2626 CA GLY B 52 26.015 19.960 27.398 1.00 40.28 C ATOM 2627 C GLY B 52 25.549 19.538 26.020 1.00 39.20 C ATOM 2628 O GLY B 52 25.863 20.194 25.030 1.00 43.24 O ATOM 2629 HA3 GLY B 52 26.944 20.520 27.288 1.00 0.00 H ATOM 2630 HA2 GLY B 52 25.252 20.606 27.833 1.00 0.00 H ATOM 2631 H GLY B 52 27.214 18.472 28.431 1.00 0.00 H ATOM 2632 N LEU B 53 24.783 18.454 25.958 1.00 36.38 N ATOM 2633 CA LEU B 53 24.301 17.926 24.689 1.00 32.78 C ATOM 2634 C LEU B 53 22.911 18.409 24.304 1.00 35.53 C ATOM 2635 O LEU B 53 22.030 18.542 25.148 1.00 36.85 O ATOM 2636 CB LEU B 53 24.314 16.397 24.734 1.00 29.18 C ATOM 2637 CG LEU B 53 23.228 15.664 23.948 1.00 29.00 C ATOM 2638 CD1 LEU B 53 23.784 15.293 22.592 1.00 34.49 C ATOM 2639 CD2 LEU B 53 22.768 14.425 24.694 1.00 26.54 C ATOM 2640 HA LEU B 53 24.980 18.303 23.924 1.00 0.00 H ATOM 2641 HB2 LEU B 53 25.278 16.066 24.348 1.00 0.00 H ATOM 2642 HB3 LEU B 53 24.220 16.099 25.778 1.00 0.00 H ATOM 2643 HG LEU B 53 22.362 16.314 23.826 1.00 0.00 H ATOM 2644 HD21 LEU B 53 23.614 13.753 24.836 1.00 0.00 H ATOM 2645 HD22 LEU B 53 22.366 14.715 25.665 1.00 0.00 H ATOM 2646 HD23 LEU B 53 21.995 13.920 24.115 1.00 0.00 H ATOM 2647 HD11 LEU B 53 24.080 16.198 22.062 1.00 0.00 H ATOM 2648 HD12 LEU B 53 24.651 14.646 22.721 1.00 0.00 H ATOM 2649 HD13 LEU B 53 23.020 14.769 22.018 1.00 0.00 H ATOM 2650 H LEU B 53 24.520 17.969 26.840 1.00 0.00 H ATOM 2651 N ASP B 54 22.726 18.666 23.013 1.00 37.63 N ATOM 2652 CA ASP B 54 21.445 19.118 22.490 1.00 35.38 C ATOM 2653 C ASP B 54 20.770 17.941 21.791 1.00 35.44 C ATOM 2654 O ASP B 54 21.113 17.586 20.661 1.00 33.51 O ATOM 2655 CB ASP B 54 21.654 20.262 21.500 1.00 36.17 C ATOM 2656 CG ASP B 54 20.356 20.953 21.125 1.00 39.20 C ATOM 2657 OD1 ASP B 54 20.437 22.088 20.610 1.00 34.69 O ATOM 2658 OD2 ASP B 54 19.264 20.369 21.340 1.00 38.06 O ATOM 2659 HA ASP B 54 20.818 19.481 23.305 1.00 0.00 H ATOM 2660 HB2 ASP B 54 22.323 20.996 21.950 1.00 0.00 H ATOM 2661 HB3 ASP B 54 22.111 19.862 20.595 1.00 0.00 H ATOM 2662 H ASP B 54 23.522 18.540 22.356 1.00 0.00 H ATOM 2663 N PRO B 55 19.790 17.325 22.457 1.00 31.01 N ATOM 2664 CA PRO B 55 19.079 16.182 21.886 1.00 30.23 C ATOM 2665 C PRO B 55 18.481 16.451 20.512 1.00 31.57 C ATOM 2666 O PRO B 55 18.152 15.515 19.780 1.00 35.59 O ATOM 2667 CB PRO B 55 18.010 15.867 22.929 1.00 31.74 C ATOM 2668 CG PRO B 55 18.522 16.475 24.198 1.00 29.64 C ATOM 2669 CD PRO B 55 19.282 17.688 23.790 1.00 29.48 C ATOM 2670 HA PRO B 55 19.753 15.347 21.696 1.00 0.00 H ATOM 2671 HD3 PRO B 55 18.630 18.560 23.738 1.00 0.00 H ATOM 2672 HD2 PRO B 55 20.101 17.889 24.481 1.00 0.00 H ATOM 2673 HG3 PRO B 55 19.176 15.775 24.718 1.00 0.00 H ATOM 2674 HG2 PRO B 55 17.692 16.748 24.850 1.00 0.00 H ATOM 2675 HB2 PRO B 55 17.056 16.312 22.647 1.00 0.00 H ATOM 2676 HB3 PRO B 55 17.888 14.790 23.041 1.00 0.00 H ATOM 2677 N LEU B 56 18.351 17.724 20.156 1.00 27.98 N ATOM 2678 CA LEU B 56 17.775 18.086 18.867 1.00 31.12 C ATOM 2679 C LEU B 56 18.814 18.259 17.766 1.00 33.95 C ATOM 2680 O LEU B 56 18.505 18.122 16.579 1.00 33.75 O ATOM 2681 CB LEU B 56 16.957 19.366 19.010 1.00 31.86 C ATOM 2682 CG LEU B 56 15.674 19.161 19.812 1.00 35.95 C ATOM 2683 CD1 LEU B 56 15.087 20.511 20.138 1.00 37.40 C ATOM 2684 CD2 LEU B 56 14.679 18.301 19.028 1.00 28.35 C ATOM 2685 HA LEU B 56 17.137 17.255 18.566 1.00 0.00 H ATOM 2686 HB2 LEU B 56 17.567 20.115 19.514 1.00 0.00 H ATOM 2687 HB3 LEU B 56 16.693 19.724 18.015 1.00 0.00 H ATOM 2688 HG LEU B 56 15.898 18.633 20.739 1.00 0.00 H ATOM 2689 HD21 LEU B 56 14.433 18.797 18.089 1.00 0.00 H ATOM 2690 HD22 LEU B 56 15.126 17.328 18.821 1.00 0.00 H ATOM 2691 HD23 LEU B 56 13.772 18.168 19.618 1.00 0.00 H ATOM 2692 HD11 LEU B 56 15.804 21.085 20.725 1.00 0.00 H ATOM 2693 HD12 LEU B 56 14.865 21.042 19.213 1.00 0.00 H ATOM 2694 HD13 LEU B 56 14.169 20.378 20.711 1.00 0.00 H ATOM 2695 H LEU B 56 18.665 18.473 20.806 1.00 0.00 H ATOM 2696 N ALA B 57 20.044 18.558 18.164 1.00 32.77 N ATOM 2697 CA ALA B 57 21.127 18.751 17.213 1.00 29.74 C ATOM 2698 C ALA B 57 22.122 17.593 17.239 1.00 28.87 C ATOM 2699 O ALA B 57 23.157 17.646 16.579 1.00 27.19 O ATOM 2700 CB ALA B 57 21.842 20.048 17.520 1.00 32.50 C ATOM 2701 HA ALA B 57 20.693 18.789 16.214 1.00 0.00 H ATOM 2702 HB1 ALA B 57 21.138 20.877 17.443 1.00 0.00 H ATOM 2703 HB2 ALA B 57 22.248 20.007 18.531 1.00 0.00 H ATOM 2704 HB3 ALA B 57 22.654 20.192 16.807 1.00 0.00 H ATOM 2705 H ALA B 57 20.238 18.657 19.181 1.00 0.00 H ATOM 2706 N SER B 58 21.805 16.549 18.000 1.00 30.47 N ATOM 2707 CA SER B 58 22.683 15.384 18.119 1.00 29.83 C ATOM 2708 C SER B 58 22.729 14.539 16.848 1.00 29.23 C ATOM 2709 O SER B 58 21.742 14.439 16.119 1.00 34.81 O ATOM 2710 CB SER B 58 22.235 14.505 19.290 1.00 28.28 C ATOM 2711 OG SER B 58 22.011 13.170 18.865 1.00 27.08 O ATOM 2712 HA SER B 58 23.687 15.770 18.292 1.00 0.00 H ATOM 2713 HB2 SER B 58 21.311 14.907 19.705 1.00 0.00 H ATOM 2714 HB3 SER B 58 23.009 14.510 20.057 1.00 0.00 H ATOM 2715 HG SER B 58 21.723 12.623 19.638 1.00 0.00 H ATOM 2716 H SER B 58 20.908 16.561 18.525 1.00 0.00 H ATOM 2717 N TRP B 59 23.883 13.931 16.590 1.00 24.51 N ATOM 2718 CA TRP B 59 24.069 13.083 15.419 1.00 19.00 C ATOM 2719 C TRP B 59 24.362 11.654 15.861 1.00 22.84 C ATOM 2720 O TRP B 59 24.632 10.796 15.027 1.00 29.54 O ATOM 2721 CB TRP B 59 25.258 13.566 14.588 1.00 9.14 C ATOM 2722 CG TRP B 59 24.964 14.686 13.649 1.00 14.15 C ATOM 2723 CD1 TRP B 59 24.716 15.984 13.976 1.00 19.49 C ATOM 2724 CD2 TRP B 59 24.895 14.612 12.218 1.00 16.02 C ATOM 2725 NE1 TRP B 59 24.497 16.730 12.839 1.00 22.14 N ATOM 2726 CE2 TRP B 59 24.600 15.912 11.746 1.00 18.16 C ATOM 2727 CE3 TRP B 59 25.054 13.572 11.287 1.00 10.16 C ATOM 2728 CZ2 TRP B 59 24.459 16.203 10.379 1.00 11.47 C ATOM 2729 CZ3 TRP B 59 24.914 13.862 9.931 1.00 9.60 C ATOM 2730 CH2 TRP B 59 24.617 15.172 9.492 1.00 2.00 C ATOM 2731 HA TRP B 59 23.157 13.126 14.824 1.00 0.00 H ATOM 2732 HB2 TRP B 59 26.037 13.897 15.275 1.00 0.00 H ATOM 2733 HB3 TRP B 59 25.625 12.723 14.003 1.00 0.00 H ATOM 2734 HE1 TRP B 59 24.288 17.748 12.815 1.00 0.00 H ATOM 2735 HD1 TRP B 59 24.694 16.377 14.992 1.00 0.00 H ATOM 2736 HZ2 TRP B 59 24.232 17.213 10.037 1.00 0.00 H ATOM 2737 HH2 TRP B 59 24.511 15.366 8.425 1.00 0.00 H ATOM 2738 HZ3 TRP B 59 25.036 13.065 9.197 1.00 0.00 H ATOM 2739 HE3 TRP B 59 25.282 12.559 11.618 1.00 0.00 H ATOM 2740 H TRP B 59 24.679 14.065 17.245 1.00 0.00 H ATOM 2741 N PHE B 60 24.315 11.391 17.163 1.00 16.34 N ATOM 2742 CA PHE B 60 24.632 10.060 17.661 1.00 15.17 C ATOM 2743 C PHE B 60 23.593 9.007 17.315 1.00 17.58 C ATOM 2744 O PHE B 60 22.387 9.300 17.315 1.00 15.84 O ATOM 2745 CB PHE B 60 24.818 10.096 19.176 1.00 16.25 C ATOM 2746 CG PHE B 60 26.112 10.696 19.613 1.00 11.28 C ATOM 2747 CD1 PHE B 60 26.176 12.029 20.004 1.00 22.34 C ATOM 2748 CD2 PHE B 60 27.267 9.931 19.657 1.00 16.48 C ATOM 2749 CE1 PHE B 60 27.380 12.595 20.438 1.00 18.94 C ATOM 2750 CE2 PHE B 60 28.481 10.486 20.091 1.00 22.23 C ATOM 2751 CZ PHE B 60 28.535 11.821 20.482 1.00 16.67 C ATOM 2752 HA PHE B 60 25.556 9.770 17.160 1.00 0.00 H ATOM 2753 HB2 PHE B 60 24.005 10.680 19.608 1.00 0.00 H ATOM 2754 HB3 PHE B 60 24.769 9.074 19.552 1.00 0.00 H ATOM 2755 HD2 PHE B 60 27.232 8.885 19.351 1.00 0.00 H ATOM 2756 HE2 PHE B 60 29.381 9.872 20.122 1.00 0.00 H ATOM 2757 HZ PHE B 60 29.475 12.257 20.820 1.00 0.00 H ATOM 2758 HE1 PHE B 60 27.413 13.641 20.741 1.00 0.00 H ATOM 2759 HD1 PHE B 60 25.275 12.642 19.972 1.00 0.00 H ATOM 2760 H PHE B 60 24.050 12.142 17.832 1.00 0.00 H ATOM 2761 N SER B 61 24.067 7.785 17.037 1.00 11.38 N ATOM 2762 CA SER B 61 23.188 6.659 16.711 1.00 12.64 C ATOM 2763 C SER B 61 23.932 5.328 16.713 1.00 11.53 C ATOM 2764 O SER B 61 25.134 5.282 16.953 1.00 17.17 O ATOM 2765 CB SER B 61 22.522 6.874 15.342 1.00 7.01 C ATOM 2766 OG SER B 61 23.431 6.642 14.283 1.00 5.16 O ATOM 2767 HA SER B 61 22.425 6.618 17.488 1.00 0.00 H ATOM 2768 HB2 SER B 61 22.160 7.900 15.281 1.00 0.00 H ATOM 2769 HB3 SER B 61 21.681 6.187 15.245 1.00 0.00 H ATOM 2770 HG SER B 61 23.759 5.709 14.330 1.00 0.00 H ATOM 2771 H SER B 61 25.095 7.630 17.053 1.00 0.00 H ATOM 2772 N CYS B 62 23.210 4.241 16.461 1.00 14.97 N ATOM 2773 CA CYS B 62 23.823 2.913 16.402 1.00 18.36 C ATOM 2774 C CYS B 62 22.849 1.877 15.848 1.00 15.59 C ATOM 2775 O CYS B 62 21.664 2.158 15.695 1.00 24.13 O ATOM 2776 CB CYS B 62 24.351 2.486 17.785 1.00 13.95 C ATOM 2777 SG CYS B 62 23.120 1.918 18.972 1.00 15.14 S ATOM 2778 HA CYS B 62 24.671 2.971 15.720 1.00 0.00 H ATOM 2779 HB2 CYS B 62 24.864 3.342 18.223 1.00 0.00 H ATOM 2780 HB3 CYS B 62 25.064 1.676 17.632 1.00 0.00 H ATOM 2781 HG CYS B 62 23.746 1.574 20.153 1.00 0.00 H ATOM 2782 H CYS B 62 22.187 4.336 16.302 1.00 0.00 H ATOM 2783 N CYS B 63 23.348 0.685 15.538 1.00 16.09 N ATOM 2784 CA CYS B 63 22.496 -0.370 14.987 1.00 18.48 C ATOM 2785 C CYS B 63 22.289 -1.594 15.900 1.00 20.31 C ATOM 2786 O CYS B 63 23.223 -2.130 16.498 1.00 15.65 O ATOM 2787 CB CYS B 63 23.055 -0.848 13.639 1.00 16.04 C ATOM 2788 SG CYS B 63 22.790 0.266 12.228 1.00 21.89 S ATOM 2789 HA CYS B 63 21.516 0.095 14.877 1.00 0.00 H ATOM 2790 HB2 CYS B 63 22.586 -1.803 13.403 1.00 0.00 H ATOM 2791 HB3 CYS B 63 24.129 -0.991 13.755 1.00 0.00 H ATOM 2792 HG CYS B 63 23.343 -0.292 11.093 1.00 0.00 H ATOM 2793 H CYS B 63 24.360 0.499 15.689 1.00 0.00 H ATOM 2794 N LEU B 64 21.044 -2.031 15.998 1.00 22.74 N ATOM 2795 CA LEU B 64 20.719 -3.191 16.797 1.00 26.04 C ATOM 2796 C LEU B 64 20.225 -4.251 15.813 1.00 31.38 C ATOM 2797 O LEU B 64 19.027 -4.375 15.553 1.00 33.49 O ATOM 2798 CB LEU B 64 19.630 -2.851 17.822 1.00 27.12 C ATOM 2799 CG LEU B 64 20.015 -2.101 19.112 1.00 24.08 C ATOM 2800 CD1 LEU B 64 18.764 -1.865 19.956 1.00 13.90 C ATOM 2801 CD2 LEU B 64 21.035 -2.900 19.911 1.00 16.08 C ATOM 2802 HA LEU B 64 21.582 -3.544 17.361 1.00 0.00 H ATOM 2803 HB2 LEU B 64 18.889 -2.239 17.308 1.00 0.00 H ATOM 2804 HB3 LEU B 64 19.174 -3.793 18.126 1.00 0.00 H ATOM 2805 HG LEU B 64 20.461 -1.143 18.843 1.00 0.00 H ATOM 2806 HD21 LEU B 64 20.609 -3.867 20.178 1.00 0.00 H ATOM 2807 HD22 LEU B 64 21.930 -3.050 19.308 1.00 0.00 H ATOM 2808 HD23 LEU B 64 21.293 -2.353 20.818 1.00 0.00 H ATOM 2809 HD11 LEU B 64 18.051 -1.269 19.387 1.00 0.00 H ATOM 2810 HD12 LEU B 64 18.314 -2.824 20.213 1.00 0.00 H ATOM 2811 HD13 LEU B 64 19.037 -1.335 20.868 1.00 0.00 H ATOM 2812 H LEU B 64 20.286 -1.531 15.491 1.00 0.00 H ATOM 2813 N ARG B 65 21.165 -4.995 15.243 1.00 29.70 N ATOM 2814 CA ARG B 65 20.837 -6.044 14.288 1.00 25.37 C ATOM 2815 C ARG B 65 20.383 -7.259 15.080 1.00 26.18 C ATOM 2816 O ARG B 65 21.206 -8.019 15.599 1.00 28.58 O ATOM 2817 CB ARG B 65 22.072 -6.357 13.456 1.00 21.55 C ATOM 2818 CG ARG B 65 22.796 -5.097 13.027 1.00 17.79 C ATOM 2819 CD ARG B 65 23.892 -5.380 12.014 1.00 26.96 C ATOM 2820 NE ARG B 65 24.026 -4.290 11.044 1.00 23.22 N ATOM 2821 CZ ARG B 65 23.251 -4.134 9.971 1.00 18.52 C ATOM 2822 NH1 ARG B 65 22.273 -5.002 9.716 1.00 10.76 N ATOM 2823 NH2 ARG B 65 23.449 -3.105 9.155 1.00 15.34 N ATOM 2824 HA ARG B 65 20.042 -5.737 13.609 1.00 0.00 H ATOM 2825 HB2 ARG B 65 22.751 -6.970 14.049 1.00 0.00 H ATOM 2826 HB3 ARG B 65 21.768 -6.910 12.567 1.00 0.00 H ATOM 2827 HG2 ARG B 65 22.075 -4.412 12.582 1.00 0.00 H ATOM 2828 HG3 ARG B 65 23.242 -4.632 13.906 1.00 0.00 H ATOM 2829 HD2 ARG B 65 23.652 -6.300 11.481 1.00 0.00 H ATOM 2830 HD3 ARG B 65 24.838 -5.503 12.541 1.00 0.00 H ATOM 2831 HE ARG B 65 24.778 -3.590 11.204 1.00 0.00 H ATOM 2832 HH12 ARG B 65 21.671 -4.876 8.877 1.00 0.00 H ATOM 2833 HH11 ARG B 65 22.111 -5.806 10.356 1.00 0.00 H ATOM 2834 HH22 ARG B 65 22.845 -2.982 8.317 1.00 0.00 H ATOM 2835 HH21 ARG B 65 24.208 -2.422 9.354 1.00 0.00 H ATOM 2836 H ARG B 65 22.162 -4.824 15.485 1.00 0.00 H ATOM 2837 N LEU B 66 19.066 -7.434 15.164 1.00 23.45 N ATOM 2838 CA LEU B 66 18.494 -8.517 15.941 1.00 24.65 C ATOM 2839 C LEU B 66 17.963 -9.715 15.162 1.00 30.54 C ATOM 2840 O LEU B 66 17.631 -9.624 13.978 1.00 29.91 O ATOM 2841 CB LEU B 66 17.389 -7.955 16.843 1.00 26.46 C ATOM 2842 CG LEU B 66 17.599 -6.514 17.333 1.00 14.81 C ATOM 2843 CD1 LEU B 66 16.357 -5.689 17.102 1.00 5.21 C ATOM 2844 CD2 LEU B 66 17.956 -6.524 18.799 1.00 15.23 C ATOM 2845 HA LEU B 66 19.331 -8.923 16.509 1.00 0.00 H ATOM 2846 HB2 LEU B 66 16.453 -7.987 16.286 1.00 0.00 H ATOM 2847 HB3 LEU B 66 17.311 -8.599 17.719 1.00 0.00 H ATOM 2848 HG LEU B 66 18.416 -6.065 16.769 1.00 0.00 H ATOM 2849 HD21 LEU B 66 17.147 -6.985 19.365 1.00 0.00 H ATOM 2850 HD22 LEU B 66 18.874 -7.094 18.944 1.00 0.00 H ATOM 2851 HD23 LEU B 66 18.104 -5.500 19.143 1.00 0.00 H ATOM 2852 HD11 LEU B 66 16.127 -5.671 16.037 1.00 0.00 H ATOM 2853 HD12 LEU B 66 15.523 -6.130 17.647 1.00 0.00 H ATOM 2854 HD13 LEU B 66 16.527 -4.672 17.456 1.00 0.00 H ATOM 2855 H LEU B 66 18.433 -6.780 14.661 1.00 0.00 H ATOM 2856 N ASP B 67 17.901 -10.846 15.860 1.00 28.60 N ATOM 2857 CA ASP B 67 17.415 -12.092 15.298 1.00 25.68 C ATOM 2858 C ASP B 67 15.899 -12.070 15.265 1.00 24.73 C ATOM 2859 O ASP B 67 15.282 -12.759 14.462 1.00 20.60 O ATOM 2860 CB ASP B 67 17.879 -13.264 16.153 1.00 27.90 C ATOM 2861 CG ASP B 67 19.293 -13.673 15.849 1.00 30.96 C ATOM 2862 OD1 ASP B 67 19.903 -13.045 14.954 1.00 35.16 O ATOM 2863 OD2 ASP B 67 19.786 -14.619 16.501 1.00 20.38 O ATOM 2864 HA ASP B 67 17.807 -12.205 14.287 1.00 0.00 H ATOM 2865 HB2 ASP B 67 17.815 -12.978 17.203 1.00 0.00 H ATOM 2866 HB3 ASP B 67 17.222 -14.114 15.969 1.00 0.00 H ATOM 2867 H ASP B 67 18.215 -10.836 16.852 1.00 0.00 H ATOM 2868 N ASP B 68 15.306 -11.281 16.157 1.00 27.27 N ATOM 2869 CA ASP B 68 13.857 -11.162 16.243 1.00 26.06 C ATOM 2870 C ASP B 68 13.473 -9.705 16.457 1.00 30.27 C ATOM 2871 O ASP B 68 13.031 -9.315 17.541 1.00 31.34 O ATOM 2872 CB ASP B 68 13.321 -12.011 17.398 1.00 28.70 C ATOM 2873 CG ASP B 68 11.802 -12.022 17.461 1.00 33.52 C ATOM 2874 OD1 ASP B 68 11.240 -12.804 18.259 1.00 33.08 O ATOM 2875 OD2 ASP B 68 11.166 -11.248 16.715 1.00 40.62 O ATOM 2876 HA ASP B 68 13.420 -11.520 15.311 1.00 0.00 H ATOM 2877 HB2 ASP B 68 13.673 -13.035 17.271 1.00 0.00 H ATOM 2878 HB3 ASP B 68 13.706 -11.609 18.335 1.00 0.00 H ATOM 2879 H ASP B 68 15.896 -10.732 16.814 1.00 0.00 H ATOM 2880 N LEU B 69 13.653 -8.899 15.417 1.00 32.38 N ATOM 2881 CA LEU B 69 13.312 -7.489 15.494 1.00 30.85 C ATOM 2882 C LEU B 69 11.874 -7.343 15.981 1.00 35.09 C ATOM 2883 O LEU B 69 11.591 -6.511 16.832 1.00 40.92 O ATOM 2884 CB LEU B 69 13.477 -6.826 14.119 1.00 25.33 C ATOM 2885 CG LEU B 69 12.688 -5.543 13.817 1.00 18.49 C ATOM 2886 CD1 LEU B 69 12.966 -4.482 14.852 1.00 12.43 C ATOM 2887 CD2 LEU B 69 13.068 -5.034 12.443 1.00 16.51 C ATOM 2888 HA LEU B 69 13.983 -6.994 16.197 1.00 0.00 H ATOM 2889 HB2 LEU B 69 14.534 -6.587 14.003 1.00 0.00 H ATOM 2890 HB3 LEU B 69 13.188 -7.564 13.370 1.00 0.00 H ATOM 2891 HG LEU B 69 11.623 -5.773 13.845 1.00 0.00 H ATOM 2892 HD21 LEU B 69 14.137 -4.820 12.419 1.00 0.00 H ATOM 2893 HD22 LEU B 69 12.831 -5.793 11.697 1.00 0.00 H ATOM 2894 HD23 LEU B 69 12.509 -4.124 12.227 1.00 0.00 H ATOM 2895 HD11 LEU B 69 12.673 -4.850 15.835 1.00 0.00 H ATOM 2896 HD12 LEU B 69 14.030 -4.247 14.853 1.00 0.00 H ATOM 2897 HD13 LEU B 69 12.395 -3.585 14.613 1.00 0.00 H ATOM 2898 H LEU B 69 14.044 -9.283 14.533 1.00 0.00 H ATOM 2899 N ALA B 70 10.970 -8.165 15.456 1.00 37.00 N ATOM 2900 CA ALA B 70 9.563 -8.096 15.847 1.00 40.01 C ATOM 2901 C ALA B 70 9.379 -8.040 17.360 1.00 38.07 C ATOM 2902 O ALA B 70 8.879 -7.043 17.894 1.00 40.62 O ATOM 2903 CB ALA B 70 8.794 -9.289 15.267 1.00 43.51 C ATOM 2904 HA ALA B 70 9.163 -7.168 15.439 1.00 0.00 H ATOM 2905 HB1 ALA B 70 8.864 -9.271 14.179 1.00 0.00 H ATOM 2906 HB2 ALA B 70 9.225 -10.216 15.645 1.00 0.00 H ATOM 2907 HB3 ALA B 70 7.748 -9.225 15.566 1.00 0.00 H ATOM 2908 H ALA B 70 11.270 -8.871 14.753 1.00 0.00 H ATOM 2909 N GLU B 71 9.784 -9.103 18.051 1.00 34.40 N ATOM 2910 CA GLU B 71 9.641 -9.155 19.501 1.00 38.26 C ATOM 2911 C GLU B 71 10.227 -7.906 20.161 1.00 38.39 C ATOM 2912 O GLU B 71 9.566 -7.254 20.969 1.00 34.73 O ATOM 2913 CB GLU B 71 10.308 -10.419 20.056 1.00 39.60 C ATOM 2914 CG GLU B 71 11.065 -10.225 21.359 1.00 47.04 C ATOM 2915 CD GLU B 71 12.502 -10.703 21.263 1.00 53.34 C ATOM 2916 OE1 GLU B 71 12.715 -11.932 21.294 1.00 55.22 O ATOM 2917 OE2 GLU B 71 13.415 -9.855 21.151 1.00 53.25 O ATOM 2918 HA GLU B 71 8.577 -9.187 19.734 1.00 0.00 H ATOM 2919 HB2 GLU B 71 9.532 -11.166 20.223 1.00 0.00 H ATOM 2920 HB3 GLU B 71 11.010 -10.788 19.308 1.00 0.00 H ATOM 2921 HG2 GLU B 71 11.063 -9.165 21.612 1.00 0.00 H ATOM 2922 HG3 GLU B 71 10.560 -10.786 22.146 1.00 0.00 H ATOM 2923 H GLU B 71 10.209 -9.909 17.549 1.00 0.00 H ATOM 2924 N PHE B 72 11.460 -7.557 19.807 1.00 39.18 N ATOM 2925 CA PHE B 72 12.089 -6.374 20.397 1.00 43.01 C ATOM 2926 C PHE B 72 11.212 -5.137 20.238 1.00 41.24 C ATOM 2927 O PHE B 72 11.178 -4.265 21.107 1.00 40.38 O ATOM 2928 CB PHE B 72 13.458 -6.097 19.764 1.00 39.24 C ATOM 2929 CG PHE B 72 14.187 -4.945 20.399 1.00 38.12 C ATOM 2930 CD1 PHE B 72 15.029 -5.151 21.486 1.00 38.93 C ATOM 2931 CD2 PHE B 72 13.985 -3.644 19.951 1.00 40.25 C ATOM 2932 CE1 PHE B 72 15.653 -4.069 22.121 1.00 37.07 C ATOM 2933 CE2 PHE B 72 14.608 -2.556 20.582 1.00 34.29 C ATOM 2934 CZ PHE B 72 15.439 -2.772 21.666 1.00 27.16 C ATOM 2935 HA PHE B 72 12.218 -6.586 21.458 1.00 0.00 H ATOM 2936 HB2 PHE B 72 14.072 -6.992 19.863 1.00 0.00 H ATOM 2937 HB3 PHE B 72 13.312 -5.873 18.707 1.00 0.00 H ATOM 2938 HD2 PHE B 72 13.332 -3.466 19.096 1.00 0.00 H ATOM 2939 HE2 PHE B 72 14.437 -1.543 20.218 1.00 0.00 H ATOM 2940 HZ PHE B 72 15.924 -1.931 22.161 1.00 0.00 H ATOM 2941 HE1 PHE B 72 16.308 -4.244 22.974 1.00 0.00 H ATOM 2942 HD1 PHE B 72 15.205 -6.164 21.848 1.00 0.00 H ATOM 2943 H PHE B 72 11.979 -8.126 19.109 1.00 0.00 H ATOM 2944 N TYR B 73 10.509 -5.064 19.116 1.00 40.55 N ATOM 2945 CA TYR B 73 9.641 -3.937 18.855 1.00 41.40 C ATOM 2946 C TYR B 73 8.366 -4.095 19.662 1.00 43.25 C ATOM 2947 O TYR B 73 7.688 -3.114 19.958 1.00 43.91 O ATOM 2948 CB TYR B 73 9.320 -3.848 17.367 1.00 39.52 C ATOM 2949 CG TYR B 73 8.362 -2.732 17.027 1.00 36.14 C ATOM 2950 CD1 TYR B 73 8.794 -1.410 16.941 1.00 34.30 C ATOM 2951 CD2 TYR B 73 7.017 -3.003 16.785 1.00 37.45 C ATOM 2952 CE1 TYR B 73 7.903 -0.386 16.621 1.00 37.88 C ATOM 2953 CE2 TYR B 73 6.123 -1.995 16.468 1.00 31.90 C ATOM 2954 CZ TYR B 73 6.563 -0.695 16.386 1.00 35.07 C ATOM 2955 OH TYR B 73 5.644 0.277 16.070 1.00 38.27 O ATOM 2956 HA TYR B 73 10.144 -3.016 19.149 1.00 0.00 H ATOM 2957 HB3 TYR B 73 8.877 -4.793 17.052 1.00 0.00 H ATOM 2958 HB2 TYR B 73 10.249 -3.684 16.822 1.00 0.00 H ATOM 2959 HD2 TYR B 73 6.661 -4.031 16.847 1.00 0.00 H ATOM 2960 HE2 TYR B 73 5.075 -2.231 16.284 1.00 0.00 H ATOM 2961 HE1 TYR B 73 8.250 0.645 16.555 1.00 0.00 H ATOM 2962 HD1 TYR B 73 9.842 -1.173 17.126 1.00 0.00 H ATOM 2963 HH TYR B 73 4.929 0.289 16.755 1.00 0.00 H ATOM 2964 H TYR B 73 10.583 -5.828 18.414 1.00 0.00 H ATOM 2965 N ARG B 74 8.039 -5.334 20.016 1.00 45.18 N ATOM 2966 CA ARG B 74 6.844 -5.591 20.816 1.00 49.62 C ATOM 2967 C ARG B 74 7.093 -5.054 22.220 1.00 47.75 C ATOM 2968 O ARG B 74 6.174 -4.598 22.903 1.00 48.61 O ATOM 2969 CB ARG B 74 6.544 -7.091 20.880 1.00 54.39 C ATOM 2970 CG ARG B 74 5.195 -7.477 20.289 1.00 58.95 C ATOM 2971 CD ARG B 74 5.312 -8.666 19.336 1.00 66.08 C ATOM 2972 NE ARG B 74 5.808 -9.863 20.008 1.00 71.13 N ATOM 2973 CZ ARG B 74 6.223 -10.966 19.390 1.00 71.32 C ATOM 2974 NH1 ARG B 74 6.207 -11.046 18.063 1.00 67.32 N ATOM 2975 NH2 ARG B 74 6.664 -11.990 20.109 1.00 67.29 N ATOM 2976 HA ARG B 74 5.985 -5.097 20.361 1.00 0.00 H ATOM 2977 HB2 ARG B 74 7.323 -7.621 20.332 1.00 0.00 H ATOM 2978 HB3 ARG B 74 6.562 -7.400 21.925 1.00 0.00 H ATOM 2979 HG2 ARG B 74 4.516 -7.740 21.100 1.00 0.00 H ATOM 2980 HG3 ARG B 74 4.792 -6.625 19.742 1.00 0.00 H ATOM 2981 HD2 ARG B 74 5.999 -8.405 18.531 1.00 0.00 H ATOM 2982 HD3 ARG B 74 4.328 -8.880 18.918 1.00 0.00 H ATOM 2983 HE ARG B 74 5.839 -9.853 21.047 1.00 0.00 H ATOM 2984 HH12 ARG B 74 6.534 -11.913 17.590 1.00 0.00 H ATOM 2985 HH11 ARG B 74 5.868 -10.242 17.498 1.00 0.00 H ATOM 2986 HH22 ARG B 74 6.990 -12.856 19.635 1.00 0.00 H ATOM 2987 HH21 ARG B 74 6.683 -11.927 21.147 1.00 0.00 H ATOM 2988 H ARG B 74 8.641 -6.129 19.720 1.00 0.00 H ATOM 2989 N GLN B 75 8.350 -5.106 22.645 1.00 48.47 N ATOM 2990 CA GLN B 75 8.720 -4.612 23.961 1.00 50.22 C ATOM 2991 C GLN B 75 8.636 -3.090 23.983 1.00 47.88 C ATOM 2992 O GLN B 75 7.983 -2.511 24.851 1.00 48.57 O ATOM 2993 CB GLN B 75 10.140 -5.052 24.317 1.00 55.84 C ATOM 2994 CG GLN B 75 10.499 -6.447 23.834 1.00 60.68 C ATOM 2995 CD GLN B 75 10.980 -7.352 24.961 1.00 62.93 C ATOM 2996 OE1 GLN B 75 11.267 -6.887 26.069 1.00 57.10 O ATOM 2997 NE2 GLN B 75 11.068 -8.653 24.681 1.00 56.19 N ATOM 2998 HA GLN B 75 8.029 -5.026 24.695 1.00 0.00 H ATOM 2999 HB2 GLN B 75 10.839 -4.345 23.871 1.00 0.00 H ATOM 3000 HB3 GLN B 75 10.244 -5.028 25.402 1.00 0.00 H ATOM 3001 HG2 GLN B 75 9.617 -6.896 23.377 1.00 0.00 H ATOM 3002 HG3 GLN B 75 11.291 -6.366 23.089 1.00 0.00 H ATOM 3003 HE22 GLN B 75 10.816 -8.999 23.733 1.00 0.00 H ATOM 3004 HE21 GLN B 75 11.389 -9.321 25.410 1.00 0.00 H ATOM 3005 H GLN B 75 9.083 -5.507 22.025 1.00 0.00 H ATOM 3006 N CYS B 76 9.297 -2.448 23.024 1.00 44.16 N ATOM 3007 CA CYS B 76 9.289 -0.991 22.938 1.00 45.07 C ATOM 3008 C CYS B 76 7.865 -0.440 22.956 1.00 47.50 C ATOM 3009 O CYS B 76 7.603 0.609 23.544 1.00 48.05 O ATOM 3010 CB CYS B 76 9.990 -0.537 21.661 1.00 45.01 C ATOM 3011 SG CYS B 76 11.627 -1.249 21.445 1.00 46.61 S ATOM 3012 HA CYS B 76 9.820 -0.605 23.808 1.00 0.00 H ATOM 3013 HB2 CYS B 76 10.087 0.548 21.688 1.00 0.00 H ATOM 3014 HB3 CYS B 76 9.374 -0.824 20.809 1.00 0.00 H ATOM 3015 HG CYS B 76 11.526 -2.624 21.393 1.00 0.00 H ATOM 3016 H CYS B 76 9.831 -2.996 22.320 1.00 0.00 H ATOM 3017 N LYS B 77 6.950 -1.153 22.307 1.00 46.82 N ATOM 3018 CA LYS B 77 5.555 -0.742 22.246 1.00 42.23 C ATOM 3019 C LYS B 77 4.894 -0.948 23.599 1.00 41.29 C ATOM 3020 O LYS B 77 4.367 -0.007 24.205 1.00 36.91 O ATOM 3021 CB LYS B 77 4.809 -1.567 21.193 1.00 41.38 C ATOM 3022 CG LYS B 77 4.708 -0.905 19.829 1.00 44.55 C ATOM 3023 CD LYS B 77 3.799 0.314 19.868 1.00 48.43 C ATOM 3024 CE LYS B 77 2.962 0.426 18.597 1.00 53.70 C ATOM 3025 NZ LYS B 77 1.494 0.489 18.883 1.00 52.65 N ATOM 3026 HA LYS B 77 5.515 0.313 21.976 1.00 0.00 H ATOM 3027 HB2 LYS B 77 5.330 -2.517 21.073 1.00 0.00 H ATOM 3028 HB3 LYS B 77 3.799 -1.751 21.558 1.00 0.00 H ATOM 3029 HG2 LYS B 77 5.703 -0.595 19.511 1.00 0.00 H ATOM 3030 HG3 LYS B 77 4.307 -1.624 19.115 1.00 0.00 H ATOM 3031 HD2 LYS B 77 3.132 0.232 20.726 1.00 0.00 H ATOM 3032 HD3 LYS B 77 4.411 1.210 19.970 1.00 0.00 H ATOM 3033 HE2 LYS B 77 3.160 -0.443 17.970 1.00 0.00 H ATOM 3034 HE3 LYS B 77 3.254 1.331 18.064 1.00 0.00 H ATOM 3035 HZ1 LYS B 77 1.202 -0.374 19.385 1.00 0.00 H ATOM 3036 HZ2 LYS B 77 1.293 1.320 19.475 1.00 0.00 H ATOM 3037 HZ3 LYS B 77 0.971 0.564 17.988 1.00 0.00 H ATOM 3038 H LYS B 77 7.239 -2.030 21.829 1.00 0.00 H ATOM 3039 N SER B 78 4.935 -2.195 24.060 1.00 37.22 N ATOM 3040 CA SER B 78 4.337 -2.584 25.327 1.00 31.92 C ATOM 3041 C SER B 78 4.831 -1.798 26.550 1.00 32.61 C ATOM 3042 O SER B 78 4.133 -1.737 27.557 1.00 38.69 O ATOM 3043 CB SER B 78 4.537 -4.085 25.544 1.00 29.79 C ATOM 3044 OG SER B 78 5.726 -4.349 26.259 1.00 35.84 O ATOM 3045 HA SER B 78 3.279 -2.337 25.245 1.00 0.00 H ATOM 3046 HB2 SER B 78 4.589 -4.580 24.574 1.00 0.00 H ATOM 3047 HB3 SER B 78 3.690 -4.478 26.106 1.00 0.00 H ATOM 3048 HG SER B 78 6.500 -3.999 25.751 1.00 0.00 H ATOM 3049 H SER B 78 5.414 -2.922 23.491 1.00 0.00 H ATOM 3050 N VAL B 79 6.018 -1.198 26.480 1.00 28.13 N ATOM 3051 CA VAL B 79 6.516 -0.425 27.619 1.00 25.88 C ATOM 3052 C VAL B 79 6.091 1.030 27.523 1.00 25.52 C ATOM 3053 O VAL B 79 6.540 1.866 28.310 1.00 23.35 O ATOM 3054 CB VAL B 79 8.057 -0.466 27.742 1.00 24.60 C ATOM 3055 CG1 VAL B 79 8.513 -1.879 28.065 1.00 24.34 C ATOM 3056 CG2 VAL B 79 8.701 0.034 26.461 1.00 29.13 C ATOM 3057 HA VAL B 79 6.080 -0.892 28.502 1.00 0.00 H ATOM 3058 HB VAL B 79 8.368 0.190 28.555 1.00 0.00 H ATOM 3059 HG11 VAL B 79 8.068 -2.196 29.008 1.00 0.00 H ATOM 3060 HG12 VAL B 79 8.197 -2.552 27.268 1.00 0.00 H ATOM 3061 HG13 VAL B 79 9.600 -1.898 28.150 1.00 0.00 H ATOM 3062 HG21 VAL B 79 8.393 -0.600 25.629 1.00 0.00 H ATOM 3063 HG22 VAL B 79 8.385 1.060 26.274 1.00 0.00 H ATOM 3064 HG23 VAL B 79 9.786 -0.001 26.563 1.00 0.00 H ATOM 3065 H VAL B 79 6.591 -1.279 25.616 1.00 0.00 H ATOM 3066 N GLY B 80 5.244 1.326 26.538 1.00 26.61 N ATOM 3067 CA GLY B 80 4.739 2.679 26.364 1.00 31.47 C ATOM 3068 C GLY B 80 5.463 3.696 25.488 1.00 28.38 C ATOM 3069 O GLY B 80 5.110 4.878 25.515 1.00 36.17 O ATOM 3070 HA3 GLY B 80 4.683 3.117 27.361 1.00 0.00 H ATOM 3071 HA2 GLY B 80 3.734 2.581 25.955 1.00 0.00 H ATOM 3072 H GLY B 80 4.939 0.578 25.883 1.00 0.00 H ATOM 3073 N ILE B 81 6.456 3.281 24.713 1.00 23.93 N ATOM 3074 CA ILE B 81 7.152 4.243 23.872 1.00 19.41 C ATOM 3075 C ILE B 81 6.232 4.714 22.772 1.00 20.72 C ATOM 3076 O ILE B 81 5.622 3.906 22.080 1.00 16.82 O ATOM 3077 CB ILE B 81 8.409 3.650 23.239 1.00 21.84 C ATOM 3078 CG1 ILE B 81 9.261 2.987 24.321 1.00 25.75 C ATOM 3079 CG2 ILE B 81 9.207 4.747 22.548 1.00 16.54 C ATOM 3080 CD1 ILE B 81 10.621 2.548 23.844 1.00 27.09 C ATOM 3081 HA ILE B 81 7.451 5.075 24.510 1.00 0.00 H ATOM 3082 HB ILE B 81 8.123 2.903 22.499 1.00 0.00 H ATOM 3083 HG12 ILE B 81 9.396 3.698 25.136 1.00 0.00 H ATOM 3084 HG13 ILE B 81 8.727 2.111 24.690 1.00 0.00 H ATOM 3085 HD11 ILE B 81 10.506 1.826 23.036 1.00 0.00 H ATOM 3086 HD12 ILE B 81 11.175 3.414 23.482 1.00 0.00 H ATOM 3087 HD13 ILE B 81 11.163 2.088 24.670 1.00 0.00 H ATOM 3088 HG21 ILE B 81 8.595 5.206 21.772 1.00 0.00 H ATOM 3089 HG22 ILE B 81 9.494 5.502 23.280 1.00 0.00 H ATOM 3090 HG23 ILE B 81 10.102 4.316 22.099 1.00 0.00 H ATOM 3091 H ILE B 81 6.734 2.279 24.706 1.00 0.00 H ATOM 3092 N GLN B 82 6.133 6.030 22.622 1.00 29.57 N ATOM 3093 CA GLN B 82 5.278 6.625 21.600 1.00 36.67 C ATOM 3094 C GLN B 82 5.754 6.326 20.182 1.00 35.91 C ATOM 3095 O GLN B 82 6.956 6.223 19.918 1.00 39.78 O ATOM 3096 CB GLN B 82 5.197 8.140 21.801 1.00 44.52 C ATOM 3097 CG GLN B 82 3.778 8.668 21.893 1.00 49.11 C ATOM 3098 CD GLN B 82 2.770 7.578 22.224 1.00 59.80 C ATOM 3099 OE1 GLN B 82 1.984 7.164 21.370 1.00 67.08 O ATOM 3100 NE2 GLN B 82 2.792 7.104 23.471 1.00 63.66 N ATOM 3101 HA GLN B 82 4.292 6.174 21.714 1.00 0.00 H ATOM 3102 HB2 GLN B 82 5.719 8.393 22.724 1.00 0.00 H ATOM 3103 HB3 GLN B 82 5.691 8.626 20.960 1.00 0.00 H ATOM 3104 HG2 GLN B 82 3.738 9.429 22.672 1.00 0.00 H ATOM 3105 HG3 GLN B 82 3.508 9.115 20.936 1.00 0.00 H ATOM 3106 HE22 GLN B 82 3.473 7.483 24.159 1.00 0.00 H ATOM 3107 HE21 GLN B 82 2.128 6.355 23.755 1.00 0.00 H ATOM 3108 H GLN B 82 6.680 6.653 23.250 1.00 0.00 H ATOM 3109 N GLU B 83 4.805 6.198 19.266 1.00 34.95 N ATOM 3110 CA GLU B 83 5.143 5.904 17.881 1.00 40.94 C ATOM 3111 C GLU B 83 5.091 7.168 17.041 1.00 39.80 C ATOM 3112 O GLU B 83 4.951 7.106 15.823 1.00 41.32 O ATOM 3113 CB GLU B 83 4.180 4.862 17.310 1.00 39.77 C ATOM 3114 CG GLU B 83 4.807 3.502 17.088 1.00 45.81 C ATOM 3115 CD GLU B 83 4.486 2.927 15.717 1.00 52.42 C ATOM 3116 OE1 GLU B 83 4.964 3.501 14.709 1.00 54.07 O ATOM 3117 OE2 GLU B 83 3.760 1.905 15.648 1.00 48.92 O ATOM 3118 HA GLU B 83 6.157 5.505 17.853 1.00 0.00 H ATOM 3119 HB2 GLU B 83 3.348 4.747 18.004 1.00 0.00 H ATOM 3120 HB3 GLU B 83 3.806 5.228 16.354 1.00 0.00 H ATOM 3121 HG2 GLU B 83 5.889 3.596 17.183 1.00 0.00 H ATOM 3122 HG3 GLU B 83 4.435 2.817 17.850 1.00 0.00 H ATOM 3123 H GLU B 83 3.808 6.309 19.540 1.00 0.00 H ATOM 3124 N THR B 84 5.219 8.313 17.700 1.00 43.91 N ATOM 3125 CA THR B 84 5.176 9.603 17.018 1.00 48.67 C ATOM 3126 C THR B 84 6.347 9.830 16.060 1.00 48.09 C ATOM 3127 O THR B 84 7.192 8.956 15.863 1.00 47.29 O ATOM 3128 CB THR B 84 5.143 10.756 18.040 1.00 49.49 C ATOM 3129 OG1 THR B 84 5.201 12.014 17.355 1.00 48.79 O ATOM 3130 CG2 THR B 84 6.321 10.646 18.988 1.00 52.15 C ATOM 3131 HA THR B 84 4.263 9.588 16.423 1.00 0.00 H ATOM 3132 HB THR B 84 4.216 10.693 18.610 1.00 0.00 H ATOM 3133 HG1 THR B 84 5.179 12.750 18.017 1.00 0.00 H ATOM 3134 HG23 THR B 84 6.278 9.690 19.509 1.00 0.00 H ATOM 3135 HG21 THR B 84 7.250 10.711 18.421 1.00 0.00 H ATOM 3136 HG22 THR B 84 6.279 11.459 19.713 1.00 0.00 H ATOM 3137 H THR B 84 5.354 8.291 18.731 1.00 0.00 H ATOM 3138 N SER B 85 6.376 11.011 15.453 1.00 49.54 N ATOM 3139 CA SER B 85 7.433 11.376 14.520 1.00 48.82 C ATOM 3140 C SER B 85 8.081 12.683 14.970 1.00 48.17 C ATOM 3141 O SER B 85 8.880 13.272 14.250 1.00 47.21 O ATOM 3142 CB SER B 85 6.862 11.534 13.108 1.00 52.35 C ATOM 3143 OG SER B 85 7.507 10.662 12.194 1.00 44.75 O ATOM 3144 HA SER B 85 8.184 10.586 14.505 1.00 0.00 H ATOM 3145 HB2 SER B 85 7.005 12.563 12.779 1.00 0.00 H ATOM 3146 HB3 SER B 85 5.797 11.305 13.127 1.00 0.00 H ATOM 3147 HG SER B 85 7.119 10.786 11.292 1.00 0.00 H ATOM 3148 H SER B 85 5.620 11.697 15.650 1.00 0.00 H ATOM 3149 N SER B 86 7.728 13.129 16.169 1.00 48.79 N ATOM 3150 CA SER B 86 8.278 14.361 16.722 1.00 51.49 C ATOM 3151 C SER B 86 8.505 14.159 18.215 1.00 50.58 C ATOM 3152 O SER B 86 7.680 13.537 18.886 1.00 49.02 O ATOM 3153 CB SER B 86 7.305 15.528 16.502 1.00 53.69 C ATOM 3154 OG SER B 86 7.563 16.194 15.277 1.00 52.44 O ATOM 3155 HA SER B 86 9.218 14.598 16.223 1.00 0.00 H ATOM 3156 HB2 SER B 86 7.412 16.239 17.322 1.00 0.00 H ATOM 3157 HB3 SER B 86 6.286 15.142 16.488 1.00 0.00 H ATOM 3158 HG SER B 86 6.920 16.939 15.166 1.00 0.00 H ATOM 3159 H SER B 86 7.041 12.585 16.729 1.00 0.00 H ATOM 3160 N GLY B 87 9.614 14.682 18.732 1.00 47.74 N ATOM 3161 CA GLY B 87 9.899 14.526 20.149 1.00 46.46 C ATOM 3162 C GLY B 87 10.534 13.183 20.481 1.00 45.45 C ATOM 3163 O GLY B 87 10.450 12.224 19.700 1.00 41.27 O ATOM 3164 HA3 GLY B 87 8.965 14.616 20.704 1.00 0.00 H ATOM 3165 HA2 GLY B 87 10.581 15.319 20.456 1.00 0.00 H ATOM 3166 H GLY B 87 10.277 15.202 18.122 1.00 0.00 H ATOM 3167 N TYR B 88 11.157 13.109 21.655 1.00 40.29 N ATOM 3168 CA TYR B 88 11.838 11.894 22.101 1.00 34.46 C ATOM 3169 C TYR B 88 11.508 11.566 23.562 1.00 30.18 C ATOM 3170 O TYR B 88 11.193 12.459 24.346 1.00 29.18 O ATOM 3171 CB TYR B 88 13.352 12.090 21.948 1.00 36.22 C ATOM 3172 CG TYR B 88 13.849 13.378 22.571 1.00 33.05 C ATOM 3173 CD1 TYR B 88 13.876 14.570 21.841 1.00 32.16 C ATOM 3174 CD2 TYR B 88 14.251 13.416 23.905 1.00 33.56 C ATOM 3175 CE1 TYR B 88 14.289 15.769 22.430 1.00 29.14 C ATOM 3176 CE2 TYR B 88 14.665 14.606 24.503 1.00 31.80 C ATOM 3177 CZ TYR B 88 14.680 15.778 23.763 1.00 33.00 C ATOM 3178 OH TYR B 88 15.072 16.959 24.362 1.00 32.46 O ATOM 3179 HA TYR B 88 11.496 11.061 21.487 1.00 0.00 H ATOM 3180 HB3 TYR B 88 13.595 12.101 20.886 1.00 0.00 H ATOM 3181 HB2 TYR B 88 13.861 11.253 22.427 1.00 0.00 H ATOM 3182 HD2 TYR B 88 14.242 12.498 24.492 1.00 0.00 H ATOM 3183 HE2 TYR B 88 14.975 14.614 25.548 1.00 0.00 H ATOM 3184 HE1 TYR B 88 14.304 16.690 21.847 1.00 0.00 H ATOM 3185 HD1 TYR B 88 13.570 14.565 20.795 1.00 0.00 H ATOM 3186 HH TYR B 88 15.026 17.694 23.701 1.00 0.00 H ATOM 3187 H TYR B 88 11.160 13.943 22.276 1.00 0.00 H ATOM 3188 N PRO B 89 11.554 10.276 23.946 1.00 26.70 N ATOM 3189 CA PRO B 89 11.876 9.078 23.158 1.00 25.94 C ATOM 3190 C PRO B 89 10.690 8.604 22.320 1.00 28.04 C ATOM 3191 O PRO B 89 9.538 8.705 22.745 1.00 39.32 O ATOM 3192 CB PRO B 89 12.261 8.050 24.215 1.00 21.12 C ATOM 3193 CG PRO B 89 11.500 8.447 25.409 1.00 17.16 C ATOM 3194 CD PRO B 89 11.313 9.941 25.360 1.00 21.15 C ATOM 3195 HA PRO B 89 12.668 9.259 22.432 1.00 0.00 H ATOM 3196 HD3 PRO B 89 10.301 10.217 25.658 1.00 0.00 H ATOM 3197 HD2 PRO B 89 12.031 10.445 26.007 1.00 0.00 H ATOM 3198 HG3 PRO B 89 12.050 8.171 26.309 1.00 0.00 H ATOM 3199 HG2 PRO B 89 10.529 7.951 25.412 1.00 0.00 H ATOM 3200 HB2 PRO B 89 11.982 7.046 23.896 1.00 0.00 H ATOM 3201 HB3 PRO B 89 13.333 8.082 24.412 1.00 0.00 H ATOM 3202 N ARG B 90 10.965 8.065 21.141 1.00 23.66 N ATOM 3203 CA ARG B 90 9.887 7.613 20.277 1.00 24.14 C ATOM 3204 C ARG B 90 10.323 6.432 19.455 1.00 22.69 C ATOM 3205 O ARG B 90 11.479 6.031 19.507 1.00 25.19 O ATOM 3206 CB ARG B 90 9.479 8.737 19.327 1.00 31.49 C ATOM 3207 CG ARG B 90 10.629 9.236 18.471 1.00 24.92 C ATOM 3208 CD ARG B 90 10.165 10.065 17.291 1.00 26.56 C ATOM 3209 NE ARG B 90 11.275 10.306 16.371 1.00 35.83 N ATOM 3210 CZ ARG B 90 12.192 11.256 16.538 1.00 37.28 C ATOM 3211 NH1 ARG B 90 13.173 11.404 15.653 1.00 34.21 N ATOM 3212 NH2 ARG B 90 12.119 12.068 17.586 1.00 37.72 N ATOM 3213 HA ARG B 90 9.046 7.326 20.909 1.00 0.00 H ATOM 3214 HB2 ARG B 90 8.691 8.368 18.670 1.00 0.00 H ATOM 3215 HB3 ARG B 90 9.098 9.570 19.917 1.00 0.00 H ATOM 3216 HG2 ARG B 90 11.285 9.848 19.090 1.00 0.00 H ATOM 3217 HG3 ARG B 90 11.184 8.376 18.096 1.00 0.00 H ATOM 3218 HD2 ARG B 90 9.782 11.020 17.651 1.00 0.00 H ATOM 3219 HD3 ARG B 90 9.372 9.532 16.766 1.00 0.00 H ATOM 3220 HE ARG B 90 11.353 9.696 15.532 1.00 0.00 H ATOM 3221 HH12 ARG B 90 13.887 12.148 15.788 1.00 0.00 H ATOM 3222 HH11 ARG B 90 13.226 10.776 14.826 1.00 0.00 H ATOM 3223 HH22 ARG B 90 12.834 12.811 17.719 1.00 0.00 H ATOM 3224 HH21 ARG B 90 11.347 11.961 18.274 1.00 0.00 H ATOM 3225 H ARG B 90 11.953 7.965 20.833 1.00 0.00 H ATOM 3226 N ILE B 91 9.392 5.882 18.687 1.00 24.81 N ATOM 3227 CA ILE B 91 9.698 4.754 17.822 1.00 30.80 C ATOM 3228 C ILE B 91 8.934 4.829 16.509 1.00 35.58 C ATOM 3229 O ILE B 91 7.874 5.455 16.422 1.00 35.85 O ATOM 3230 CB ILE B 91 9.349 3.419 18.482 1.00 27.19 C ATOM 3231 CG1 ILE B 91 7.901 3.438 18.943 1.00 20.74 C ATOM 3232 CG2 ILE B 91 10.274 3.153 19.642 1.00 33.77 C ATOM 3233 CD1 ILE B 91 7.368 2.070 19.186 1.00 30.13 C ATOM 3234 HA ILE B 91 10.771 4.808 17.636 1.00 0.00 H ATOM 3235 HB ILE B 91 9.475 2.616 17.756 1.00 0.00 H ATOM 3236 HG12 ILE B 91 7.835 4.010 19.869 1.00 0.00 H ATOM 3237 HG13 ILE B 91 7.295 3.920 18.176 1.00 0.00 H ATOM 3238 HD11 ILE B 91 7.422 1.491 18.264 1.00 0.00 H ATOM 3239 HD12 ILE B 91 7.962 1.582 19.958 1.00 0.00 H ATOM 3240 HD13 ILE B 91 6.331 2.138 19.513 1.00 0.00 H ATOM 3241 HG21 ILE B 91 11.303 3.116 19.284 1.00 0.00 H ATOM 3242 HG22 ILE B 91 10.172 3.952 20.377 1.00 0.00 H ATOM 3243 HG23 ILE B 91 10.013 2.200 20.102 1.00 0.00 H ATOM 3244 H ILE B 91 8.425 6.265 18.704 1.00 0.00 H ATOM 3245 N HIS B 92 9.487 4.183 15.490 1.00 39.08 N ATOM 3246 CA HIS B 92 8.872 4.139 14.171 1.00 41.74 C ATOM 3247 C HIS B 92 8.797 2.681 13.746 1.00 40.51 C ATOM 3248 O HIS B 92 9.812 1.986 13.701 1.00 43.91 O ATOM 3249 CB HIS B 92 9.704 4.930 13.160 1.00 44.62 C ATOM 3250 CG HIS B 92 8.995 5.175 11.866 1.00 56.80 C ATOM 3251 ND1 HIS B 92 8.700 6.442 11.406 1.00 58.23 N ATOM 3252 CD2 HIS B 92 8.500 4.315 10.943 1.00 55.12 C ATOM 3253 CE1 HIS B 92 8.054 6.350 10.257 1.00 57.42 C ATOM 3254 NE2 HIS B 92 7.920 5.071 9.954 1.00 58.19 N ATOM 3255 HA HIS B 92 7.878 4.585 14.208 1.00 0.00 H ATOM 3256 HB2 HIS B 92 9.960 5.893 13.601 1.00 0.00 H ATOM 3257 HB3 HIS B 92 10.618 4.373 12.953 1.00 0.00 H ATOM 3258 HD2 HIS B 92 8.552 3.227 10.979 1.00 0.00 H ATOM 3259 HE1 HIS B 92 7.693 7.188 9.660 1.00 0.00 H ATOM 3260 H HIS B 92 10.391 3.691 15.639 1.00 0.00 H ATOM 3261 N ALA B 93 7.591 2.217 13.443 1.00 38.36 N ATOM 3262 CA ALA B 93 7.384 0.831 13.033 1.00 32.42 C ATOM 3263 C ALA B 93 8.345 0.359 11.935 1.00 33.26 C ATOM 3264 O ALA B 93 8.845 1.153 11.137 1.00 32.80 O ATOM 3265 CB ALA B 93 5.946 0.644 12.571 1.00 23.54 C ATOM 3266 HA ALA B 93 7.593 0.216 13.909 1.00 0.00 H ATOM 3267 HB1 ALA B 93 5.268 0.885 13.390 1.00 0.00 H ATOM 3268 HB2 ALA B 93 5.748 1.305 11.727 1.00 0.00 H ATOM 3269 HB3 ALA B 93 5.796 -0.392 12.266 1.00 0.00 H ATOM 3270 H ALA B 93 6.773 2.857 13.499 1.00 0.00 H ATOM 3271 N PRO B 94 8.628 -0.950 11.897 1.00 34.37 N ATOM 3272 CA PRO B 94 9.526 -1.526 10.892 1.00 40.60 C ATOM 3273 C PRO B 94 9.067 -1.202 9.469 1.00 45.62 C ATOM 3274 O PRO B 94 7.930 -1.493 9.094 1.00 52.66 O ATOM 3275 CB PRO B 94 9.476 -3.029 11.181 1.00 37.24 C ATOM 3276 CG PRO B 94 9.064 -3.129 12.607 1.00 33.11 C ATOM 3277 CD PRO B 94 8.135 -1.970 12.839 1.00 37.35 C ATOM 3278 HA PRO B 94 10.537 -1.123 10.952 1.00 0.00 H ATOM 3279 HD3 PRO B 94 7.104 -2.244 12.615 1.00 0.00 H ATOM 3280 HD2 PRO B 94 8.200 -1.616 13.868 1.00 0.00 H ATOM 3281 HG3 PRO B 94 9.933 -3.058 13.261 1.00 0.00 H ATOM 3282 HG2 PRO B 94 8.550 -4.072 12.790 1.00 0.00 H ATOM 3283 HB2 PRO B 94 8.748 -3.520 10.535 1.00 0.00 H ATOM 3284 HB3 PRO B 94 10.456 -3.482 11.032 1.00 0.00 H ATOM 3285 N GLU B 95 9.956 -0.600 8.684 1.00 47.31 N ATOM 3286 CA GLU B 95 9.651 -0.232 7.304 1.00 48.65 C ATOM 3287 C GLU B 95 10.742 -0.763 6.394 1.00 48.82 C ATOM 3288 O GLU B 95 11.924 -0.625 6.702 1.00 53.57 O ATOM 3289 CB GLU B 95 9.587 1.290 7.163 1.00 50.71 C ATOM 3290 CG GLU B 95 8.233 1.827 6.740 1.00 58.75 C ATOM 3291 CD GLU B 95 8.172 3.345 6.778 1.00 62.61 C ATOM 3292 OE1 GLU B 95 9.231 3.986 6.582 1.00 63.02 O ATOM 3293 OE2 GLU B 95 7.068 3.894 7.004 1.00 60.15 O ATOM 3294 HA GLU B 95 8.687 -0.659 7.029 1.00 0.00 H ATOM 3295 HB2 GLU B 95 9.843 1.732 8.126 1.00 0.00 H ATOM 3296 HB3 GLU B 95 10.322 1.594 6.418 1.00 0.00 H ATOM 3297 HG2 GLU B 95 8.027 1.494 5.723 1.00 0.00 H ATOM 3298 HG3 GLU B 95 7.473 1.429 7.413 1.00 0.00 H ATOM 3299 H GLU B 95 10.899 -0.384 9.065 1.00 0.00 H ATOM 3300 N LEU B 96 10.355 -1.373 5.278 1.00 48.96 N ATOM 3301 CA LEU B 96 11.345 -1.897 4.346 1.00 48.70 C ATOM 3302 C LEU B 96 12.195 -0.722 3.873 1.00 48.26 C ATOM 3303 O LEU B 96 11.689 0.216 3.253 1.00 46.97 O ATOM 3304 CB LEU B 96 10.662 -2.564 3.154 1.00 51.95 C ATOM 3305 CG LEU B 96 11.594 -3.281 2.170 1.00 54.70 C ATOM 3306 CD1 LEU B 96 12.195 -4.528 2.817 1.00 47.49 C ATOM 3307 CD2 LEU B 96 10.808 -3.646 0.915 1.00 56.05 C ATOM 3308 HA LEU B 96 11.963 -2.649 4.836 1.00 0.00 H ATOM 3309 HB2 LEU B 96 9.954 -3.297 3.540 1.00 0.00 H ATOM 3310 HB3 LEU B 96 10.121 -1.794 2.603 1.00 0.00 H ATOM 3311 HG LEU B 96 12.416 -2.619 1.897 1.00 0.00 H ATOM 3312 HD21 LEU B 96 9.981 -4.304 1.184 1.00 0.00 H ATOM 3313 HD22 LEU B 96 10.417 -2.738 0.456 1.00 0.00 H ATOM 3314 HD23 LEU B 96 11.466 -4.156 0.211 1.00 0.00 H ATOM 3315 HD11 LEU B 96 12.765 -4.239 3.700 1.00 0.00 H ATOM 3316 HD12 LEU B 96 11.394 -5.208 3.107 1.00 0.00 H ATOM 3317 HD13 LEU B 96 12.854 -5.024 2.104 1.00 0.00 H ATOM 3318 H LEU B 96 9.341 -1.477 5.069 1.00 0.00 H ATOM 3319 N GLN B 97 13.488 -0.779 4.174 1.00 45.37 N ATOM 3320 CA GLN B 97 14.399 0.294 3.811 1.00 45.11 C ATOM 3321 C GLN B 97 14.854 0.261 2.361 1.00 45.19 C ATOM 3322 O GLN B 97 14.814 -0.777 1.703 1.00 41.68 O ATOM 3323 CB GLN B 97 15.614 0.276 4.741 1.00 43.17 C ATOM 3324 CG GLN B 97 15.291 0.656 6.183 1.00 40.53 C ATOM 3325 CD GLN B 97 14.607 2.007 6.299 1.00 35.69 C ATOM 3326 OE1 GLN B 97 15.196 3.044 5.984 1.00 35.03 O ATOM 3327 NE2 GLN B 97 13.356 2.002 6.758 1.00 33.28 N ATOM 3328 HA GLN B 97 13.838 1.221 3.927 1.00 0.00 H ATOM 3329 HB2 GLN B 97 16.036 -0.729 4.736 1.00 0.00 H ATOM 3330 HB3 GLN B 97 16.352 0.980 4.357 1.00 0.00 H ATOM 3331 HG2 GLN B 97 14.634 -0.104 6.604 1.00 0.00 H ATOM 3332 HG3 GLN B 97 16.220 0.686 6.752 1.00 0.00 H ATOM 3333 HE22 GLN B 97 12.899 1.103 7.012 1.00 0.00 H ATOM 3334 HE21 GLN B 97 12.837 2.897 6.863 1.00 0.00 H ATOM 3335 H GLN B 97 13.856 -1.609 4.680 1.00 0.00 H ATOM 3336 N GLU B 98 15.285 1.421 1.875 1.00 50.33 N ATOM 3337 CA GLU B 98 15.755 1.574 0.505 1.00 53.64 C ATOM 3338 C GLU B 98 16.847 0.567 0.148 1.00 52.81 C ATOM 3339 O GLU B 98 17.067 0.285 -1.028 1.00 53.12 O ATOM 3340 CB GLU B 98 16.277 2.999 0.292 1.00 57.38 C ATOM 3341 CG GLU B 98 16.359 3.421 -1.166 1.00 64.54 C ATOM 3342 CD GLU B 98 15.443 4.584 -1.493 1.00 73.41 C ATOM 3343 OE1 GLU B 98 15.303 5.488 -0.643 1.00 80.54 O ATOM 3344 OE2 GLU B 98 14.864 4.594 -2.600 1.00 73.21 O ATOM 3345 HA GLU B 98 14.907 1.382 -0.152 1.00 0.00 H ATOM 3346 HB2 GLU B 98 15.611 3.688 0.811 1.00 0.00 H ATOM 3347 HB3 GLU B 98 17.275 3.066 0.724 1.00 0.00 H ATOM 3348 HG2 GLU B 98 17.386 3.713 -1.387 1.00 0.00 H ATOM 3349 HG3 GLU B 98 16.081 2.572 -1.791 1.00 0.00 H ATOM 3350 H GLU B 98 15.287 2.253 2.499 1.00 0.00 H ATOM 3351 N TRP B 99 17.527 0.020 1.155 1.00 48.77 N ATOM 3352 CA TRP B 99 18.592 -0.947 0.904 1.00 43.16 C ATOM 3353 C TRP B 99 18.136 -2.412 1.000 1.00 41.83 C ATOM 3354 O TRP B 99 18.955 -3.329 1.105 1.00 42.07 O ATOM 3355 CB TRP B 99 19.771 -0.686 1.850 1.00 38.48 C ATOM 3356 CG TRP B 99 19.371 -0.308 3.239 1.00 34.67 C ATOM 3357 CD1 TRP B 99 19.081 0.945 3.698 1.00 33.47 C ATOM 3358 CD2 TRP B 99 19.225 -1.189 4.355 1.00 32.23 C ATOM 3359 NE1 TRP B 99 18.762 0.899 5.033 1.00 29.07 N ATOM 3360 CE2 TRP B 99 18.842 -0.399 5.464 1.00 33.65 C ATOM 3361 CE3 TRP B 99 19.380 -2.570 4.528 1.00 33.18 C ATOM 3362 CZ2 TRP B 99 18.611 -0.945 6.731 1.00 32.77 C ATOM 3363 CZ3 TRP B 99 19.151 -3.115 5.789 1.00 38.47 C ATOM 3364 CH2 TRP B 99 18.770 -2.301 6.874 1.00 38.02 C ATOM 3365 HA TRP B 99 18.905 -0.801 -0.130 1.00 0.00 H ATOM 3366 HB2 TRP B 99 20.374 -1.592 1.903 1.00 0.00 H ATOM 3367 HB3 TRP B 99 20.370 0.124 1.434 1.00 0.00 H ATOM 3368 HE1 TRP B 99 18.502 1.716 5.621 1.00 0.00 H ATOM 3369 HD1 TRP B 99 19.100 1.851 3.092 1.00 0.00 H ATOM 3370 HZ2 TRP B 99 18.316 -0.318 7.572 1.00 0.00 H ATOM 3371 HH2 TRP B 99 18.598 -2.758 7.848 1.00 0.00 H ATOM 3372 HZ3 TRP B 99 19.268 -4.188 5.939 1.00 0.00 H ATOM 3373 HE3 TRP B 99 19.674 -3.205 3.693 1.00 0.00 H ATOM 3374 H TRP B 99 17.296 0.286 2.134 1.00 0.00 H ATOM 3375 N GLY B 100 16.825 -2.627 0.959 1.00 42.01 N ATOM 3376 CA GLY B 100 16.289 -3.979 1.007 1.00 42.76 C ATOM 3377 C GLY B 100 16.167 -4.613 2.380 1.00 41.07 C ATOM 3378 O GLY B 100 15.876 -5.805 2.500 1.00 42.05 O ATOM 3379 HA3 GLY B 100 16.939 -4.614 0.406 1.00 0.00 H ATOM 3380 HA2 GLY B 100 15.294 -3.956 0.563 1.00 0.00 H ATOM 3381 H GLY B 100 16.174 -1.819 0.892 1.00 0.00 H ATOM 3382 N GLY B 101 16.380 -3.821 3.422 1.00 38.08 N ATOM 3383 CA GLY B 101 16.288 -4.357 4.765 1.00 35.71 C ATOM 3384 C GLY B 101 15.149 -3.765 5.563 1.00 31.66 C ATOM 3385 O GLY B 101 14.792 -2.596 5.388 1.00 22.16 O ATOM 3386 HA3 GLY B 101 17.222 -4.149 5.287 1.00 0.00 H ATOM 3387 HA2 GLY B 101 16.142 -5.435 4.699 1.00 0.00 H ATOM 3388 H GLY B 101 16.612 -2.818 3.276 1.00 0.00 H ATOM 3389 N THR B 102 14.570 -4.577 6.443 1.00 34.40 N ATOM 3390 CA THR B 102 13.466 -4.110 7.273 1.00 34.43 C ATOM 3391 C THR B 102 14.020 -3.520 8.561 1.00 30.79 C ATOM 3392 O THR B 102 14.670 -4.216 9.345 1.00 29.17 O ATOM 3393 CB THR B 102 12.488 -5.251 7.608 1.00 31.23 C ATOM 3394 OG1 THR B 102 11.910 -5.748 6.393 1.00 37.13 O ATOM 3395 CG2 THR B 102 11.374 -4.748 8.512 1.00 28.25 C ATOM 3396 HA THR B 102 12.918 -3.351 6.715 1.00 0.00 H ATOM 3397 HB THR B 102 13.034 -6.043 8.121 1.00 0.00 H ATOM 3398 HG1 THR B 102 11.280 -6.482 6.605 1.00 0.00 H ATOM 3399 HG23 THR B 102 11.804 -4.368 9.439 1.00 0.00 H ATOM 3400 HG21 THR B 102 10.831 -3.949 8.007 1.00 0.00 H ATOM 3401 HG22 THR B 102 10.691 -5.568 8.736 1.00 0.00 H ATOM 3402 H THR B 102 14.908 -5.556 6.540 1.00 0.00 H ATOM 3403 N MET B 103 13.761 -2.232 8.770 1.00 25.98 N ATOM 3404 CA MET B 103 14.256 -1.558 9.948 1.00 24.03 C ATOM 3405 C MET B 103 13.250 -0.625 10.604 1.00 28.77 C ATOM 3406 O MET B 103 12.537 0.133 9.935 1.00 26.70 O ATOM 3407 CB MET B 103 15.525 -0.784 9.594 1.00 24.27 C ATOM 3408 CG MET B 103 15.797 0.429 10.468 1.00 18.97 C ATOM 3409 SD MET B 103 16.672 1.737 9.583 1.00 23.47 S ATOM 3410 CE MET B 103 16.014 3.192 10.423 1.00 17.00 C ATOM 3411 HA MET B 103 14.463 -2.337 10.682 1.00 0.00 H ATOM 3412 HB2 MET B 103 16.373 -1.463 9.683 1.00 0.00 H ATOM 3413 HB3 MET B 103 15.439 -0.446 8.561 1.00 0.00 H ATOM 3414 HG2 MET B 103 16.402 0.118 11.320 1.00 0.00 H ATOM 3415 HG3 MET B 103 14.846 0.824 10.824 1.00 0.00 H ATOM 3416 HE1 MET B 103 14.932 3.223 10.298 1.00 0.00 H ATOM 3417 HE2 MET B 103 16.258 3.139 11.484 1.00 0.00 H ATOM 3418 HE3 MET B 103 16.457 4.090 9.992 1.00 0.00 H ATOM 3419 H MET B 103 13.195 -1.703 8.076 1.00 0.00 H ATOM 3420 N ALA B 104 13.208 -0.699 11.931 1.00 30.59 N ATOM 3421 CA ALA B 104 12.343 0.140 12.745 1.00 30.64 C ATOM 3422 C ALA B 104 13.296 1.099 13.452 1.00 26.72 C ATOM 3423 O ALA B 104 14.456 0.754 13.680 1.00 20.73 O ATOM 3424 CB ALA B 104 11.600 -0.708 13.763 1.00 39.34 C ATOM 3425 HA ALA B 104 11.591 0.662 12.154 1.00 0.00 H ATOM 3426 HB1 ALA B 104 10.994 -1.449 13.243 1.00 0.00 H ATOM 3427 HB2 ALA B 104 12.319 -1.213 14.408 1.00 0.00 H ATOM 3428 HB3 ALA B 104 10.956 -0.068 14.366 1.00 0.00 H ATOM 3429 H ALA B 104 13.822 -1.389 12.409 1.00 0.00 H ATOM 3430 N ALA B 105 12.822 2.292 13.800 1.00 23.04 N ATOM 3431 CA ALA B 105 13.687 3.265 14.461 1.00 22.14 C ATOM 3432 C ALA B 105 13.285 3.569 15.898 1.00 19.79 C ATOM 3433 O ALA B 105 12.108 3.753 16.203 1.00 25.01 O ATOM 3434 CB ALA B 105 13.742 4.557 13.655 1.00 16.13 C ATOM 3435 HA ALA B 105 14.675 2.806 14.507 1.00 0.00 H ATOM 3436 HB1 ALA B 105 14.136 4.347 12.661 1.00 0.00 H ATOM 3437 HB2 ALA B 105 12.738 4.973 13.569 1.00 0.00 H ATOM 3438 HB3 ALA B 105 14.391 5.272 14.161 1.00 0.00 H ATOM 3439 H ALA B 105 11.830 2.533 13.600 1.00 0.00 H ATOM 3440 N LEU B 106 14.281 3.619 16.774 1.00 18.76 N ATOM 3441 CA LEU B 106 14.058 3.918 18.180 1.00 20.76 C ATOM 3442 C LEU B 106 14.959 5.064 18.598 1.00 20.49 C ATOM 3443 O LEU B 106 16.159 5.032 18.330 1.00 17.45 O ATOM 3444 CB LEU B 106 14.376 2.704 19.058 1.00 20.30 C ATOM 3445 CG LEU B 106 14.540 3.038 20.547 1.00 18.66 C ATOM 3446 CD1 LEU B 106 13.179 3.207 21.190 1.00 10.82 C ATOM 3447 CD2 LEU B 106 15.323 1.950 21.241 1.00 13.79 C ATOM 3448 HA LEU B 106 13.009 4.184 18.309 1.00 0.00 H ATOM 3449 HB2 LEU B 106 13.564 1.984 18.955 1.00 0.00 H ATOM 3450 HB3 LEU B 106 15.304 2.257 18.702 1.00 0.00 H ATOM 3451 HG LEU B 106 15.091 3.974 20.644 1.00 0.00 H ATOM 3452 HD21 LEU B 106 14.792 1.003 21.143 1.00 0.00 H ATOM 3453 HD22 LEU B 106 16.308 1.865 20.783 1.00 0.00 H ATOM 3454 HD23 LEU B 106 15.432 2.199 22.296 1.00 0.00 H ATOM 3455 HD11 LEU B 106 12.643 4.017 20.696 1.00 0.00 H ATOM 3456 HD12 LEU B 106 12.613 2.281 21.089 1.00 0.00 H ATOM 3457 HD13 LEU B 106 13.305 3.444 22.247 1.00 0.00 H ATOM 3458 H LEU B 106 15.251 3.439 16.445 1.00 0.00 H ATOM 3459 N VAL B 107 14.370 6.063 19.253 1.00 18.72 N ATOM 3460 CA VAL B 107 15.097 7.232 19.746 1.00 22.60 C ATOM 3461 C VAL B 107 14.909 7.310 21.265 1.00 25.91 C ATOM 3462 O VAL B 107 13.783 7.439 21.749 1.00 30.36 O ATOM 3463 CB VAL B 107 14.560 8.534 19.118 1.00 22.59 C ATOM 3464 CG1 VAL B 107 15.372 9.727 19.599 1.00 20.18 C ATOM 3465 CG2 VAL B 107 14.619 8.439 17.612 1.00 25.75 C ATOM 3466 HA VAL B 107 16.148 7.128 19.478 1.00 0.00 H ATOM 3467 HB VAL B 107 13.524 8.672 19.426 1.00 0.00 H ATOM 3468 HG11 VAL B 107 15.301 9.799 20.684 1.00 0.00 H ATOM 3469 HG12 VAL B 107 16.415 9.596 19.310 1.00 0.00 H ATOM 3470 HG13 VAL B 107 14.980 10.638 19.146 1.00 0.00 H ATOM 3471 HG21 VAL B 107 15.652 8.287 17.299 1.00 0.00 H ATOM 3472 HG22 VAL B 107 14.009 7.599 17.278 1.00 0.00 H ATOM 3473 HG23 VAL B 107 14.238 9.362 17.176 1.00 0.00 H ATOM 3474 H VAL B 107 13.345 6.009 19.422 1.00 0.00 H ATOM 3475 N ASP B 108 16.012 7.233 22.005 1.00 23.79 N ATOM 3476 CA ASP B 108 15.981 7.268 23.464 1.00 18.60 C ATOM 3477 C ASP B 108 15.749 8.681 24.025 1.00 16.29 C ATOM 3478 O ASP B 108 15.460 9.597 23.258 1.00 15.14 O ATOM 3479 CB ASP B 108 17.268 6.614 24.006 1.00 16.53 C ATOM 3480 CG ASP B 108 18.506 7.478 23.836 1.00 20.27 C ATOM 3481 OD1 ASP B 108 18.385 8.631 23.349 1.00 9.41 O ATOM 3482 OD2 ASP B 108 19.604 6.977 24.207 1.00 9.93 O ATOM 3483 HA ASP B 108 15.121 6.694 23.809 1.00 0.00 H ATOM 3484 HB2 ASP B 108 17.131 6.412 25.068 1.00 0.00 H ATOM 3485 HB3 ASP B 108 17.427 5.675 23.476 1.00 0.00 H ATOM 3486 H ASP B 108 16.931 7.145 21.526 1.00 0.00 H ATOM 3487 N PRO B 109 15.849 8.876 25.362 1.00 16.74 N ATOM 3488 CA PRO B 109 15.627 10.211 25.946 1.00 18.76 C ATOM 3489 C PRO B 109 16.608 11.326 25.583 1.00 13.74 C ATOM 3490 O PRO B 109 16.318 12.499 25.802 1.00 2.65 O ATOM 3491 CB PRO B 109 15.585 9.953 27.458 1.00 22.32 C ATOM 3492 CG PRO B 109 16.370 8.707 27.653 1.00 19.99 C ATOM 3493 CD PRO B 109 16.138 7.873 26.407 1.00 23.83 C ATOM 3494 HA PRO B 109 14.710 10.624 25.525 1.00 0.00 H ATOM 3495 HD3 PRO B 109 17.027 7.294 26.155 1.00 0.00 H ATOM 3496 HD2 PRO B 109 15.293 7.198 26.543 1.00 0.00 H ATOM 3497 HG3 PRO B 109 16.022 8.173 28.538 1.00 0.00 H ATOM 3498 HG2 PRO B 109 17.429 8.939 27.763 1.00 0.00 H ATOM 3499 HB2 PRO B 109 16.038 10.782 28.002 1.00 0.00 H ATOM 3500 HB3 PRO B 109 14.558 9.817 27.796 1.00 0.00 H ATOM 3501 N ASP B 110 17.759 10.970 25.027 1.00 18.26 N ATOM 3502 CA ASP B 110 18.739 11.980 24.642 1.00 16.48 C ATOM 3503 C ASP B 110 18.777 12.201 23.120 1.00 18.26 C ATOM 3504 O ASP B 110 19.693 12.830 22.592 1.00 15.56 O ATOM 3505 CB ASP B 110 20.115 11.577 25.161 1.00 16.47 C ATOM 3506 CG ASP B 110 20.240 11.750 26.666 1.00 19.77 C ATOM 3507 OD1 ASP B 110 20.416 10.737 27.376 1.00 18.46 O ATOM 3508 OD2 ASP B 110 20.164 12.901 27.144 1.00 25.03 O ATOM 3509 HA ASP B 110 18.441 12.928 25.091 1.00 0.00 H ATOM 3510 HB2 ASP B 110 20.290 10.530 24.913 1.00 0.00 H ATOM 3511 HB3 ASP B 110 20.868 12.196 24.673 1.00 0.00 H ATOM 3512 H ASP B 110 17.964 9.963 24.864 1.00 0.00 H ATOM 3513 N GLY B 111 17.771 11.679 22.422 1.00 15.89 N ATOM 3514 CA GLY B 111 17.703 11.839 20.980 1.00 11.68 C ATOM 3515 C GLY B 111 18.656 10.961 20.189 1.00 14.03 C ATOM 3516 O GLY B 111 18.921 11.244 19.024 1.00 22.65 O ATOM 3517 HA3 GLY B 111 17.928 12.879 20.744 1.00 0.00 H ATOM 3518 HA2 GLY B 111 16.687 11.607 20.662 1.00 0.00 H ATOM 3519 H GLY B 111 17.024 11.150 22.916 1.00 0.00 H ATOM 3520 N THR B 112 19.182 9.907 20.806 1.00 11.56 N ATOM 3521 CA THR B 112 20.096 9.012 20.107 1.00 15.98 C ATOM 3522 C THR B 112 19.296 8.040 19.250 1.00 21.74 C ATOM 3523 O THR B 112 18.357 7.407 19.730 1.00 29.35 O ATOM 3524 CB THR B 112 20.958 8.189 21.083 1.00 15.81 C ATOM 3525 OG1 THR B 112 21.913 9.043 21.732 1.00 2.42 O ATOM 3526 CG2 THR B 112 21.695 7.092 20.321 1.00 9.90 C ATOM 3527 HA THR B 112 20.753 9.631 19.497 1.00 0.00 H ATOM 3528 HB THR B 112 20.309 7.737 21.834 1.00 0.00 H ATOM 3529 HG1 THR B 112 22.462 8.507 22.357 1.00 0.00 H ATOM 3530 HG23 THR B 112 20.970 6.444 19.828 1.00 0.00 H ATOM 3531 HG21 THR B 112 22.346 7.545 19.573 1.00 0.00 H ATOM 3532 HG22 THR B 112 22.293 6.506 21.019 1.00 0.00 H ATOM 3533 H THR B 112 18.938 9.719 21.799 1.00 0.00 H ATOM 3534 N LEU B 113 19.672 7.909 17.984 1.00 22.76 N ATOM 3535 CA LEU B 113 18.959 7.011 17.080 1.00 18.89 C ATOM 3536 C LEU B 113 19.438 5.573 17.130 1.00 14.77 C ATOM 3537 O LEU B 113 20.617 5.281 16.950 1.00 17.22 O ATOM 3538 CB LEU B 113 19.056 7.514 15.638 1.00 17.16 C ATOM 3539 CG LEU B 113 18.299 6.644 14.635 1.00 11.90 C ATOM 3540 CD1 LEU B 113 16.855 7.098 14.615 1.00 7.39 C ATOM 3541 CD2 LEU B 113 18.922 6.725 13.234 1.00 2.32 C ATOM 3542 HA LEU B 113 17.925 7.016 17.426 1.00 0.00 H ATOM 3543 HB2 LEU B 113 18.647 8.524 15.597 1.00 0.00 H ATOM 3544 HB3 LEU B 113 20.107 7.537 15.351 1.00 0.00 H ATOM 3545 HG LEU B 113 18.359 5.599 14.940 1.00 0.00 H ATOM 3546 HD21 LEU B 113 18.895 7.757 12.885 1.00 0.00 H ATOM 3547 HD22 LEU B 113 19.956 6.382 13.277 1.00 0.00 H ATOM 3548 HD23 LEU B 113 18.356 6.093 12.549 1.00 0.00 H ATOM 3549 HD11 LEU B 113 16.426 6.985 15.611 1.00 0.00 H ATOM 3550 HD12 LEU B 113 16.809 8.145 14.315 1.00 0.00 H ATOM 3551 HD13 LEU B 113 16.294 6.490 13.905 1.00 0.00 H ATOM 3552 H LEU B 113 20.485 8.453 17.631 1.00 0.00 H ATOM 3553 N LEU B 114 18.512 4.661 17.366 1.00 18.86 N ATOM 3554 CA LEU B 114 18.863 3.254 17.407 1.00 17.15 C ATOM 3555 C LEU B 114 18.138 2.603 16.247 1.00 19.07 C ATOM 3556 O LEU B 114 16.913 2.494 16.257 1.00 22.40 O ATOM 3557 CB LEU B 114 18.432 2.632 18.738 1.00 11.35 C ATOM 3558 CG LEU B 114 19.315 3.029 19.931 1.00 12.56 C ATOM 3559 CD1 LEU B 114 18.629 4.111 20.754 1.00 9.67 C ATOM 3560 CD2 LEU B 114 19.581 1.812 20.801 1.00 19.45 C ATOM 3561 HA LEU B 114 19.940 3.110 17.326 1.00 0.00 H ATOM 3562 HB2 LEU B 114 17.410 2.947 18.948 1.00 0.00 H ATOM 3563 HB3 LEU B 114 18.463 1.547 18.635 1.00 0.00 H ATOM 3564 HG LEU B 114 20.262 3.417 19.556 1.00 0.00 H ATOM 3565 HD21 LEU B 114 18.634 1.416 21.168 1.00 0.00 H ATOM 3566 HD22 LEU B 114 20.091 1.050 20.212 1.00 0.00 H ATOM 3567 HD23 LEU B 114 20.208 2.100 21.645 1.00 0.00 H ATOM 3568 HD11 LEU B 114 18.457 4.987 20.129 1.00 0.00 H ATOM 3569 HD12 LEU B 114 17.675 3.734 21.124 1.00 0.00 H ATOM 3570 HD13 LEU B 114 19.265 4.383 21.596 1.00 0.00 H ATOM 3571 H LEU B 114 17.526 4.953 17.523 1.00 0.00 H ATOM 3572 N ARG B 115 18.894 2.206 15.230 1.00 18.06 N ATOM 3573 CA ARG B 115 18.312 1.558 14.062 1.00 16.28 C ATOM 3574 C ARG B 115 18.092 0.084 14.348 1.00 14.83 C ATOM 3575 O ARG B 115 19.041 -0.691 14.511 1.00 7.19 O ATOM 3576 CB ARG B 115 19.219 1.724 12.839 1.00 13.50 C ATOM 3577 CG ARG B 115 19.310 3.169 12.350 1.00 22.02 C ATOM 3578 CD ARG B 115 20.137 3.288 11.094 1.00 10.99 C ATOM 3579 NE ARG B 115 21.156 4.308 11.251 1.00 15.53 N ATOM 3580 CZ ARG B 115 21.003 5.574 10.887 1.00 26.92 C ATOM 3581 NH1 ARG B 115 19.871 5.978 10.343 1.00 22.82 N ATOM 3582 NH2 ARG B 115 21.984 6.441 11.078 1.00 36.49 N ATOM 3583 HA ARG B 115 17.354 2.031 13.845 1.00 0.00 H ATOM 3584 HB2 ARG B 115 20.220 1.383 13.101 1.00 0.00 H ATOM 3585 HB3 ARG B 115 18.827 1.108 12.030 1.00 0.00 H ATOM 3586 HG2 ARG B 115 18.304 3.536 12.146 1.00 0.00 H ATOM 3587 HG3 ARG B 115 19.766 3.777 13.131 1.00 0.00 H ATOM 3588 HD2 ARG B 115 19.487 3.555 10.260 1.00 0.00 H ATOM 3589 HD3 ARG B 115 20.616 2.331 10.888 1.00 0.00 H ATOM 3590 HE ARG B 115 22.063 4.029 11.676 1.00 0.00 H ATOM 3591 HH12 ARG B 115 19.756 6.972 10.059 1.00 0.00 H ATOM 3592 HH11 ARG B 115 19.094 5.303 10.198 1.00 0.00 H ATOM 3593 HH22 ARG B 115 21.864 7.434 10.792 1.00 0.00 H ATOM 3594 HH21 ARG B 115 22.876 6.130 11.514 1.00 0.00 H ATOM 3595 H ARG B 115 19.922 2.361 15.268 1.00 0.00 H ATOM 3596 N LEU B 116 16.824 -0.296 14.438 1.00 19.29 N ATOM 3597 CA LEU B 116 16.468 -1.682 14.698 1.00 25.85 C ATOM 3598 C LEU B 116 16.331 -2.374 13.340 1.00 26.24 C ATOM 3599 O LEU B 116 15.359 -2.183 12.609 1.00 26.86 O ATOM 3600 CB LEU B 116 15.168 -1.745 15.507 1.00 17.49 C ATOM 3601 CG LEU B 116 15.135 -0.751 16.681 1.00 24.68 C ATOM 3602 CD1 LEU B 116 13.719 -0.606 17.232 1.00 15.03 C ATOM 3603 CD2 LEU B 116 16.091 -1.218 17.765 1.00 5.28 C ATOM 3604 HA LEU B 116 17.231 -2.188 15.290 1.00 0.00 H ATOM 3605 HB2 LEU B 116 14.334 -1.523 14.841 1.00 0.00 H ATOM 3606 HB3 LEU B 116 15.055 -2.754 15.904 1.00 0.00 H ATOM 3607 HG LEU B 116 15.451 0.230 16.325 1.00 0.00 H ATOM 3608 HD21 LEU B 116 15.788 -2.205 18.114 1.00 0.00 H ATOM 3609 HD22 LEU B 116 17.101 -1.269 17.359 1.00 0.00 H ATOM 3610 HD23 LEU B 116 16.067 -0.514 18.597 1.00 0.00 H ATOM 3611 HD11 LEU B 116 13.060 -0.241 16.444 1.00 0.00 H ATOM 3612 HD12 LEU B 116 13.366 -1.576 17.583 1.00 0.00 H ATOM 3613 HD13 LEU B 116 13.724 0.102 18.061 1.00 0.00 H ATOM 3614 H LEU B 116 16.070 0.411 14.320 1.00 0.00 H ATOM 3615 N ILE B 117 17.339 -3.165 13.007 1.00 26.97 N ATOM 3616 CA ILE B 117 17.377 -3.866 11.742 1.00 29.31 C ATOM 3617 C ILE B 117 17.320 -5.375 11.921 1.00 29.55 C ATOM 3618 O ILE B 117 17.854 -5.929 12.883 1.00 28.25 O ATOM 3619 CB ILE B 117 18.655 -3.485 10.973 1.00 32.86 C ATOM 3620 CG1 ILE B 117 18.628 -1.990 10.653 1.00 21.24 C ATOM 3621 CG2 ILE B 117 18.775 -4.310 9.704 1.00 36.53 C ATOM 3622 CD1 ILE B 117 19.978 -1.337 10.731 1.00 31.37 C ATOM 3623 HA ILE B 117 16.495 -3.567 11.175 1.00 0.00 H ATOM 3624 HB ILE B 117 19.527 -3.697 11.592 1.00 0.00 H ATOM 3625 HG12 ILE B 117 18.239 -1.860 9.643 1.00 0.00 H ATOM 3626 HG13 ILE B 117 17.964 -1.497 11.363 1.00 0.00 H ATOM 3627 HD11 ILE B 117 20.376 -1.449 11.739 1.00 0.00 H ATOM 3628 HD12 ILE B 117 20.652 -1.812 10.018 1.00 0.00 H ATOM 3629 HD13 ILE B 117 19.882 -0.278 10.492 1.00 0.00 H ATOM 3630 HG21 ILE B 117 18.818 -5.368 9.963 1.00 0.00 H ATOM 3631 HG22 ILE B 117 17.909 -4.125 9.068 1.00 0.00 H ATOM 3632 HG23 ILE B 117 19.684 -4.027 9.173 1.00 0.00 H ATOM 3633 H ILE B 117 18.127 -3.286 13.675 1.00 0.00 H ATOM 3634 N GLN B 118 16.664 -6.033 10.977 1.00 29.54 N ATOM 3635 CA GLN B 118 16.532 -7.477 11.017 1.00 29.67 C ATOM 3636 C GLN B 118 17.803 -8.139 10.469 1.00 27.90 C ATOM 3637 O GLN B 118 18.327 -7.756 9.426 1.00 24.80 O ATOM 3638 CB GLN B 118 15.296 -7.898 10.210 1.00 18.27 C ATOM 3639 CG GLN B 118 15.019 -9.397 10.182 1.00 27.34 C ATOM 3640 CD GLN B 118 14.998 -10.039 11.563 1.00 23.83 C ATOM 3641 OE1 GLN B 118 14.088 -9.797 12.361 1.00 28.89 O ATOM 3642 NE2 GLN B 118 16.001 -10.870 11.847 1.00 2.00 N ATOM 3643 HA GLN B 118 16.403 -7.805 12.048 1.00 0.00 H ATOM 3644 HB2 GLN B 118 14.426 -7.402 10.641 1.00 0.00 H ATOM 3645 HB3 GLN B 118 15.433 -7.561 9.183 1.00 0.00 H ATOM 3646 HG2 GLN B 118 14.050 -9.560 9.711 1.00 0.00 H ATOM 3647 HG3 GLN B 118 15.795 -9.880 9.589 1.00 0.00 H ATOM 3648 HE22 GLN B 118 16.747 -11.044 11.144 1.00 0.00 H ATOM 3649 HE21 GLN B 118 16.038 -11.344 12.772 1.00 0.00 H ATOM 3650 H GLN B 118 16.235 -5.504 10.191 1.00 0.00 H ATOM 3651 N ASN B 119 18.312 -9.114 11.206 1.00 29.15 N ATOM 3652 CA ASN B 119 19.495 -9.836 10.783 1.00 36.86 C ATOM 3653 C ASN B 119 19.110 -10.711 9.589 1.00 44.29 C ATOM 3654 O ASN B 119 18.036 -11.320 9.575 1.00 44.22 O ATOM 3655 CB ASN B 119 20.001 -10.723 11.918 1.00 33.82 C ATOM 3656 CG ASN B 119 20.985 -10.015 12.815 1.00 28.10 C ATOM 3657 OD1 ASN B 119 21.633 -9.057 12.409 1.00 26.02 O ATOM 3658 ND2 ASN B 119 21.105 -10.490 14.050 1.00 35.18 N ATOM 3659 HA ASN B 119 20.284 -9.135 10.510 1.00 0.00 H ATOM 3660 HB2 ASN B 119 19.149 -11.042 12.518 1.00 0.00 H ATOM 3661 HB3 ASN B 119 20.488 -11.598 11.487 1.00 0.00 H ATOM 3662 HD22 ASN B 119 20.534 -11.306 14.351 1.00 0.00 H ATOM 3663 HD21 ASN B 119 21.770 -10.046 14.716 1.00 0.00 H ATOM 3664 H ASN B 119 17.854 -9.366 12.105 1.00 0.00 H ATOM 3665 N GLU B 120 19.989 -10.769 8.592 1.00 50.62 N ATOM 3666 CA GLU B 120 19.753 -11.567 7.392 1.00 49.11 C ATOM 3667 C GLU B 120 20.218 -13.003 7.603 1.00 50.45 C ATOM 3668 O GLU B 120 19.350 -13.902 7.687 1.00 50.42 O ATOM 3669 CB GLU B 120 20.508 -10.956 6.213 1.00 49.86 C ATOM 3670 CG GLU B 120 19.945 -11.316 4.857 1.00 52.79 C ATOM 3671 CD GLU B 120 20.635 -10.571 3.724 1.00 52.08 C ATOM 3672 OE1 GLU B 120 20.773 -9.329 3.808 1.00 46.45 O ATOM 3673 OE2 GLU B 120 21.040 -11.231 2.746 1.00 50.80 O ATOM 3674 HA GLU B 120 18.683 -11.572 7.182 1.00 0.00 H ATOM 3675 HB2 GLU B 120 20.482 -9.871 6.316 1.00 0.00 H ATOM 3676 HB3 GLU B 120 21.542 -11.299 6.255 1.00 0.00 H ATOM 3677 HG2 GLU B 120 20.071 -12.387 4.699 1.00 0.00 H ATOM 3678 HG3 GLU B 120 18.883 -11.070 4.842 1.00 0.00 H ATOM 3679 H GLU B 120 20.874 -10.228 8.670 1.00 0.00 H TER 3680 GLU B 120 HETATM 3681 O HOH 1 35.459 11.751 14.954 1.00 14.17 O HETATM 3682 O HOH 2 37.352 8.032 8.508 1.00 2.42 O HETATM 3683 O HOH 3 34.648 8.053 12.830 1.00 2.00 O HETATM 3684 O HOH 4 26.399 -5.693 20.795 1.00 2.00 O HETATM 3685 O HOH 5 32.084 -6.015 16.160 1.00 2.00 O HETATM 3686 O HOH 6 28.402 6.674 18.345 1.00 10.99 O HETATM 3687 O HOH 7 29.298 4.189 18.761 1.00 8.91 O HETATM 3688 O HOH 8 21.906 5.550 3.396 1.00 2.85 O HETATM 3689 O HOH 9 21.082 11.866 20.843 1.00 8.05 O HETATM 3690 O HOH 10 19.733 8.028 27.808 1.00 19.51 O HETATM 3691 O HOH 11 21.902 8.511 24.505 1.00 2.00 O HETATM 3692 O HOH 12 35.278 6.044 33.876 1.00 9.27 O HETATM 3693 NA BLM A 13 38.901 16.471 24.992 1.00 -0.30 N HETATM 3694 C1 BLM A 13 37.580 16.683 25.347 1.00 0.23 C HETATM 3695 C2 BLM A 13 36.515 16.723 24.254 1.00 0.11 C HETATM 3696 C3 BLM A 13 35.977 15.332 23.854 1.00 0.03 C HETATM 3697 NC BLM A 13 36.369 14.299 24.802 1.00 0.25 N HETATM 3698 C6 BLM A 13 36.405 12.906 24.375 1.00 0.06 C HETATM 3699 C5 BLM A 13 35.022 12.295 24.090 1.00 0.09 C HETATM 3700 C4 BLM A 13 34.827 10.815 24.095 1.00 0.18 C HETATM 3701 ND BLM A 13 33.683 10.258 23.638 1.00 -0.30 N HETATM 3702 H11 BLM A 13 33.571 9.264 23.650 1.00 0.18 H HETATM 3703 H12 BLM A 13 32.949 10.840 23.288 1.00 0.18 H HETATM 3704 O4 BLM A 13 35.754 10.044 24.539 1.00 -0.40 O HETATM 3705 H13 BLM A 13 34.336 12.705 24.846 1.00 0.06 H HETATM 3706 H14 BLM A 13 34.722 12.648 23.092 1.00 0.06 H HETATM 3707 C7 BLM A 13 37.301 12.712 23.132 1.00 0.13 C HETATM 3708 NG BLM A 13 38.643 12.776 23.375 1.00 -0.27 N HETATM 3709 C10 BLM A 13 39.624 12.531 22.277 1.00 0.12 C HETATM 3710 C9 BLM A 13 39.165 12.269 21.091 1.00 0.04 C HETATM 3711 C8 BLM A 13 37.669 12.207 20.862 1.00 0.13 C HETATM 3712 NE BLM A 13 36.833 12.465 22.032 1.00 -0.25 N HETATM 3713 NF BLM A 13 37.140 11.911 19.670 1.00 -0.32 N HETATM 3714 H16 BLM A 13 36.117 11.879 19.554 1.00 0.18 H HETATM 3715 H17 BLM A 13 37.755 11.715 18.868 1.00 0.18 H HETATM 3716 CA BLM A 13 40.067 12.068 19.888 1.00 -0.02 C HETATM 3717 H18 BLM A 13 39.453 11.859 19.000 1.00 0.04 H HETATM 3718 H19 BLM A 13 40.743 11.220 20.074 1.00 0.04 H HETATM 3719 H20 BLM A 13 40.660 12.979 19.718 1.00 0.04 H HETATM 3720 C12 BLM A 13 40.954 12.575 22.801 1.00 0.22 C HETATM 3721 O12 BLM A 13 41.904 12.294 22.068 1.00 -0.38 O HETATM 3722 NH BLM A 13 41.069 12.909 24.134 1.00 -0.26 N HETATM 3723 C13 BLM A 13 42.347 12.991 24.810 1.00 0.17 C HETATM 3724 C30 BLM A 13 42.778 11.634 25.342 1.00 0.21 C HETATM 3725 O30 BLM A 13 43.972 11.351 25.467 1.00 -0.39 O HETATM 3726 NK BLM A 13 41.810 10.763 25.643 1.00 -0.28 N HETATM 3727 C31 BLM A 13 42.118 9.444 26.168 1.00 0.07 C HETATM 3728 CB BLM A 13 42.017 8.419 25.050 1.00 -0.04 C HETATM 3729 H31 BLM A 13 42.250 7.420 25.447 1.00 0.03 H HETATM 3730 H32 BLM A 13 42.732 8.673 24.254 1.00 0.03 H HETATM 3731 H33 BLM A 13 40.996 8.422 24.641 1.00 0.03 H HETATM 3732 C33 BLM A 13 41.147 9.119 27.307 1.00 0.10 C HETATM 3733 C34 BLM A 13 40.961 10.153 28.438 1.00 0.07 C HETATM 3734 C36 BLM A 13 39.969 9.601 29.443 1.00 0.18 C HETATM 3735 O36 BLM A 13 40.317 9.178 30.551 1.00 -0.40 O HETATM 3736 NL BLM A 13 38.697 9.582 29.050 1.00 -0.26 N HETATM 3737 C37 BLM A 13 37.649 9.054 29.908 1.00 0.16 C HETATM 3738 C40 BLM A 13 37.568 7.532 29.775 1.00 0.20 C HETATM 3739 O40 BLM A 13 37.582 6.984 28.666 1.00 -0.39 O HETATM 3740 NM BLM A 13 37.526 6.824 30.914 1.00 -0.28 N HETATM 3741 C41 BLM A 13 37.475 5.367 30.946 1.00 0.05 C HETATM 3742 C42 BLM A 13 36.059 4.829 31.171 1.00 0.04 C HETATM 3743 C43 BLM A 13 35.881 3.465 30.597 1.00 0.10 C HETATM 3744 S43 BLM A 13 35.993 3.062 28.920 1.00 0.01 S HETATM 3745 C44 BLM A 13 35.703 1.420 29.270 1.00 0.03 C HETATM 3746 C45 BLM A 13 35.538 1.283 30.650 1.00 0.06 C HETATM 3747 NN BLM A 13 35.643 2.475 31.360 1.00 -0.31 N HETATM 3748 C46 BLM A 13 35.314 0.065 31.329 1.00 0.11 C HETATM 3749 NO BLM A 13 35.185 -1.138 30.866 1.00 -0.30 N HETATM 3750 C48 BLM A 13 34.937 -2.049 31.877 1.00 0.09 C HETATM 3751 C49 BLM A 13 34.730 -3.537 31.692 1.00 0.20 C HETATM 3752 O49 BLM A 13 34.455 -4.232 32.664 1.00 -0.39 O HETATM 3753 NP BLM A 13 34.818 -3.981 30.444 1.00 -0.29 N HETATM 3754 C50 BLM A 13 34.657 -5.391 30.185 1.00 0.03 C HETATM 3755 C51 BLM A 13 33.516 -5.680 29.249 1.00 0.01 C HETATM 3756 C52 BLM A 13 33.358 -7.187 29.009 1.00 0.11 C HETATM 3757 S53 BLM A 13 34.556 -7.794 27.807 1.00 -0.02 S HETATM 3758 C55 BLM A 13 33.636 -8.265 26.366 1.00 0.10 C HETATM 3759 H59 BLM A 13 34.326 -8.645 25.598 1.00 0.08 H HETATM 3760 H60 BLM A 13 33.096 -7.391 25.974 1.00 0.08 H HETATM 3761 H61 BLM A 13 32.915 -9.052 26.632 1.00 0.08 H HETATM 3762 C54 BLM A 13 35.173 -9.335 28.432 1.00 0.10 C HETATM 3763 H62 BLM A 13 35.767 -9.151 29.340 1.00 0.08 H HETATM 3764 H63 BLM A 13 35.807 -9.812 27.670 1.00 0.08 H HETATM 3765 H64 BLM A 13 34.328 -9.997 28.674 1.00 0.08 H HETATM 3766 H57 BLM A 13 32.343 -7.385 28.633 1.00 0.08 H HETATM 3767 H58 BLM A 13 33.506 -7.718 29.961 1.00 0.08 H HETATM 3768 H55 BLM A 13 33.707 -5.182 28.287 1.00 0.03 H HETATM 3769 H56 BLM A 13 32.586 -5.288 29.686 1.00 0.03 H HETATM 3770 H53 BLM A 13 34.469 -5.905 31.139 1.00 0.05 H HETATM 3771 H54 BLM A 13 35.586 -5.775 29.738 1.00 0.05 H HETATM 3772 H52 BLM A 13 34.994 -3.345 29.692 1.00 0.18 H HETATM 3773 C47 BLM A 13 34.882 -1.505 33.119 1.00 0.03 C HETATM 3774 S46 BLM A 13 35.153 0.204 33.058 1.00 0.00 S HETATM 3775 H51 BLM A 13 34.693 -2.068 34.032 1.00 0.09 H HETATM 3776 H50 BLM A 13 35.654 0.613 28.540 1.00 0.08 H HETATM 3777 H46 BLM A 13 35.863 4.787 32.253 1.00 0.05 H HETATM 3778 H47 BLM A 13 35.340 5.511 30.694 1.00 0.05 H HETATM 3779 H48 BLM A 13 38.120 5.010 31.762 1.00 0.06 H HETATM 3780 H49 BLM A 13 37.850 4.981 29.987 1.00 0.06 H HETATM 3781 H45 BLM A 13 37.530 7.319 31.783 1.00 0.19 H HETATM 3782 C38 BLM A 13 36.314 9.707 29.551 1.00 0.09 C HETATM 3783 OH3 BLM A 13 36.632 10.985 29.009 1.00 -0.39 O HETATM 3784 H41 BLM A 13 35.830 11.435 28.770 1.00 0.21 H HETATM 3785 CD BLM A 13 35.415 9.843 30.771 1.00 -0.03 C HETATM 3786 H42 BLM A 13 34.466 10.316 30.477 1.00 0.03 H HETATM 3787 H43 BLM A 13 35.915 10.465 31.528 1.00 0.03 H HETATM 3788 H44 BLM A 13 35.213 8.847 31.191 1.00 0.03 H HETATM 3789 H40 BLM A 13 35.795 9.100 28.795 1.00 0.06 H HETATM 3790 H39 BLM A 13 37.891 9.300 30.953 1.00 0.08 H HETATM 3791 H38 BLM A 13 38.458 9.938 28.147 1.00 0.19 H HETATM 3792 CC BLM A 13 42.267 10.477 29.164 1.00 -0.04 C HETATM 3793 H35 BLM A 13 42.073 11.216 29.956 1.00 0.03 H HETATM 3794 H36 BLM A 13 42.992 10.889 28.447 1.00 0.03 H HETATM 3795 H37 BLM A 13 42.675 9.559 29.612 1.00 0.03 H HETATM 3796 H28 BLM A 13 40.562 11.081 28.003 1.00 0.06 H HETATM 3797 OH2 BLM A 13 41.692 7.966 27.942 1.00 -0.39 O HETATM 3798 H29 BLM A 13 41.086 7.655 28.605 1.00 0.21 H HETATM 3799 H34 BLM A 13 40.161 8.902 26.870 1.00 0.06 H HETATM 3800 H30 BLM A 13 43.145 9.440 26.562 1.00 0.06 H HETATM 3801 H27 BLM A 13 40.855 11.024 25.504 1.00 0.19 H HETATM 3802 C14 BLM A 13 42.305 14.019 25.952 1.00 0.16 C HETATM 3803 C27 BLM A 13 41.091 13.864 26.854 1.00 0.09 C HETATM 3804 NJ BLM A 13 39.874 13.601 26.412 1.00 -0.26 N HETATM 3805 C29 BLM A 13 39.093 13.656 27.471 1.00 0.09 C HETATM 3806 NI BLM A 13 39.810 13.943 28.544 1.00 -0.34 N HETATM 3807 C28 BLM A 13 41.068 14.079 28.204 1.00 -0.02 C HETATM 3808 H25 BLM A 13 41.910 14.312 28.854 1.00 0.03 H HETATM 3809 H26 BLM A 13 38.017 13.490 27.464 1.00 0.11 H HETATM 3810 H24 BLM A 13 39.594 13.396 25.442 1.00 0.24 H HETATM 3811 OH1 BLM A 13 42.316 15.312 25.367 1.00 -0.33 O HETATM 3812 C63 BLM A 13 43.552 15.986 25.155 1.00 0.19 C HETATM 3813 O62 BLM A 13 44.108 16.297 26.435 1.00 -0.34 O HETATM 3814 C60 BLM A 13 43.540 17.350 27.220 1.00 0.11 C HETATM 3815 C61 BLM A 13 44.419 17.495 28.465 1.00 0.07 C HETATM 3816 O61 BLM A 13 43.838 16.801 29.536 1.00 -0.39 O HETATM 3817 H69 BLM A 13 44.386 16.893 30.306 1.00 0.21 H HETATM 3818 H67 BLM A 13 45.417 17.080 28.259 1.00 0.06 H HETATM 3819 H68 BLM A 13 44.511 18.560 28.726 1.00 0.06 H HETATM 3820 C59 BLM A 13 43.361 18.645 26.405 1.00 0.11 C HETATM 3821 O59 BLM A 13 44.613 19.202 26.048 1.00 -0.39 O HETATM 3822 H65 BLM A 13 44.473 19.997 25.548 1.00 0.21 H HETATM 3823 C58 BLM A 13 42.591 18.361 25.105 1.00 0.11 C HETATM 3824 O58 BLM A 13 41.261 17.968 25.390 1.00 -0.39 O HETATM 3825 H66 BLM A 13 41.271 17.166 25.899 1.00 0.21 H HETATM 3826 C57 BLM A 13 43.321 17.256 24.295 1.00 0.14 C HETATM 3827 O56 BLM A 13 42.622 16.858 23.113 1.00 -0.34 O HETATM 3828 C64 BLM A 13 42.603 17.762 22.020 1.00 0.19 C HETATM 3829 C69 BLM A 13 41.242 17.699 21.292 1.00 0.14 C HETATM 3830 C68 BLM A 13 41.110 16.412 20.467 1.00 0.15 C HETATM 3831 C67 BLM A 13 42.335 16.211 19.551 1.00 0.12 C HETATM 3832 C65 BLM A 13 43.666 16.338 20.306 1.00 0.11 C HETATM 3833 O64 BLM A 13 43.697 17.477 21.155 1.00 -0.34 O HETATM 3834 C66 BLM A 13 44.795 16.546 19.295 1.00 0.07 C HETATM 3835 O66 BLM A 13 46.023 16.604 19.962 1.00 -0.39 O HETATM 3836 H84 BLM A 13 46.014 17.328 20.577 1.00 0.21 H HETATM 3837 H85 BLM A 13 44.630 17.488 18.752 1.00 0.06 H HETATM 3838 H86 BLM A 13 44.806 15.708 18.582 1.00 0.06 H HETATM 3839 H78 BLM A 13 43.838 15.425 20.896 1.00 0.06 H HETATM 3840 O67 BLM A 13 42.279 14.915 18.995 1.00 -0.39 O HETATM 3841 H80 BLM A 13 41.462 14.810 18.521 1.00 0.21 H HETATM 3842 H77 BLM A 13 42.305 16.963 18.748 1.00 0.07 H HETATM 3843 O68 BLM A 13 39.974 16.301 19.637 1.00 -0.26 O HETATM 3844 C70 BLM A 13 38.746 15.972 20.026 1.00 0.32 C HETATM 3845 NQ BLM A 13 37.836 16.162 19.026 1.00 -0.28 N HETATM 3846 H82 BLM A 13 36.870 15.954 19.182 1.00 0.18 H HETATM 3847 H83 BLM A 13 38.135 16.509 18.137 1.00 0.18 H HETATM 3848 O70 BLM A 13 38.382 15.553 21.091 1.00 -0.38 O HETATM 3849 H76 BLM A 13 41.072 15.582 21.188 1.00 0.07 H HETATM 3850 O69 BLM A 13 41.142 18.825 20.445 1.00 -0.38 O HETATM 3851 H81 BLM A 13 40.309 18.803 19.988 1.00 0.21 H HETATM 3852 H75 BLM A 13 40.433 17.728 22.037 1.00 0.07 H HETATM 3853 H79 BLM A 13 42.731 18.783 22.409 1.00 0.09 H HETATM 3854 H72 BLM A 13 44.299 17.659 23.995 1.00 0.07 H HETATM 3855 H73 BLM A 13 42.563 19.281 24.503 1.00 0.06 H HETATM 3856 H74 BLM A 13 42.800 19.370 27.012 1.00 0.06 H HETATM 3857 H70 BLM A 13 42.538 17.038 27.548 1.00 0.06 H HETATM 3858 H71 BLM A 13 44.243 15.320 24.617 1.00 0.09 H HETATM 3859 H23 BLM A 13 43.207 13.894 26.569 1.00 0.08 H HETATM 3860 H22 BLM A 13 43.096 13.324 24.077 1.00 0.09 H HETATM 3861 H21 BLM A 13 40.237 13.102 24.654 1.00 0.19 H HETATM 3862 H15 BLM A 13 36.850 12.334 25.202 1.00 0.11 H HETATM 3863 H4 BLM A 13 35.724 14.351 25.575 1.00 0.20 H HETATM 3864 H5 BLM A 13 37.297 14.531 25.121 1.00 0.20 H HETATM 3865 H6 BLM A 13 36.373 15.071 22.861 1.00 0.09 H HETATM 3866 H7 BLM A 13 34.879 15.376 23.811 1.00 0.09 H HETATM 3867 NB BLM A 13 37.028 17.338 22.973 1.00 0.24 N HETATM 3868 H8 BLM A 13 37.397 18.256 23.165 1.00 0.20 H HETATM 3869 H9 BLM A 13 36.273 17.411 22.309 1.00 0.20 H HETATM 3870 H10 BLM A 13 37.757 16.757 22.590 1.00 0.20 H HETATM 3871 H3 BLM A 13 35.679 17.329 24.633 1.00 0.12 H HETATM 3872 O1 BLM A 13 37.342 16.799 26.529 1.00 -0.39 O HETATM 3873 H1 BLM A 13 39.610 16.442 25.697 1.00 0.18 H HETATM 3874 H2 BLM A 13 39.147 16.347 24.031 1.00 0.18 H CONECT 1 2 14 15 16 CONECT 14 1 CONECT 15 1 CONECT 16 1 CONECT 1841 1842 1854 1855 1856 CONECT 1854 1841 CONECT 1855 1841 CONECT 1856 1841 CONECT 3693 3694 3873 3874 CONECT 3694 3693 3695 3872 CONECT 3695 3694 3696 3867 3871 CONECT 3696 3695 3697 3865 3866 CONECT 3697 3696 3698 3863 3864 CONECT 3698 3697 3699 3707 3862 CONECT 3699 3698 3700 3705 3706 CONECT 3700 3699 3701 3704 CONECT 3701 3700 3702 3703 CONECT 3702 3701 CONECT 3703 3701 CONECT 3704 3700 CONECT 3705 3699 CONECT 3706 3699 CONECT 3707 3698 3708 3712 CONECT 3708 3707 3709 CONECT 3709 3708 3710 3720 CONECT 3710 3709 3711 3716 CONECT 3711 3710 3712 3713 CONECT 3712 3707 3711 CONECT 3713 3711 3714 3715 CONECT 3714 3713 CONECT 3715 3713 CONECT 3716 3710 3717 3718 3719 CONECT 3717 3716 CONECT 3718 3716 CONECT 3719 3716 CONECT 3720 3709 3721 3722 CONECT 3721 3720 CONECT 3722 3720 3723 3861 CONECT 3723 3722 3724 3802 3860 CONECT 3724 3723 3725 3726 CONECT 3725 3724 CONECT 3726 3724 3727 3801 CONECT 3727 3726 3728 3732 3800 CONECT 3728 3727 3729 3730 3731 CONECT 3729 3728 CONECT 3730 3728 CONECT 3731 3728 CONECT 3732 3727 3733 3797 3799 CONECT 3733 3732 3734 3792 3796 CONECT 3734 3733 3735 3736 CONECT 3735 3734 CONECT 3736 3734 3737 3791 CONECT 3737 3736 3738 3782 3790 CONECT 3738 3737 3739 3740 CONECT 3739 3738 CONECT 3740 3738 3741 3781 CONECT 3741 3740 3742 3779 3780 CONECT 3742 3741 3743 3777 3778 CONECT 3743 3742 3744 3747 CONECT 3744 3743 3745 CONECT 3745 3744 3746 3776 CONECT 3746 3745 3747 3748 CONECT 3747 3743 3746 CONECT 3748 3746 3749 3774 CONECT 3749 3748 3750 CONECT 3750 3749 3751 3773 CONECT 3751 3750 3752 3753 CONECT 3752 3751 CONECT 3753 3751 3754 3772 CONECT 3754 3753 3755 3770 3771 CONECT 3755 3754 3756 3768 3769 CONECT 3756 3755 3757 3766 3767 CONECT 3757 3756 3758 3762 CONECT 3758 3757 3759 3760 3761 CONECT 3759 3758 CONECT 3760 3758 CONECT 3761 3758 CONECT 3762 3757 3763 3764 3765 CONECT 3763 3762 CONECT 3764 3762 CONECT 3765 3762 CONECT 3766 3756 CONECT 3767 3756 CONECT 3768 3755 CONECT 3769 3755 CONECT 3770 3754 CONECT 3771 3754 CONECT 3772 3753 CONECT 3773 3750 3774 3775 CONECT 3774 3748 3773 CONECT 3775 3773 CONECT 3776 3745 CONECT 3777 3742 CONECT 3778 3742 CONECT 3779 3741 CONECT 3780 3741 CONECT 3781 3740 CONECT 3782 3737 3783 3785 3789 CONECT 3783 3782 3784 CONECT 3784 3783 CONECT 3785 3782 3786 3787 3788 CONECT 3786 3785 CONECT 3787 3785 CONECT 3788 3785 CONECT 3789 3782 CONECT 3790 3737 CONECT 3791 3736 CONECT 3792 3733 3793 3794 3795 CONECT 3793 3792 CONECT 3794 3792 CONECT 3795 3792 CONECT 3796 3733 CONECT 3797 3732 3798 CONECT 3798 3797 CONECT 3799 3732 CONECT 3800 3727 CONECT 3801 3726 CONECT 3802 3723 3803 3811 3859 CONECT 3803 3802 3804 3807 CONECT 3804 3803 3805 3810 CONECT 3805 3804 3806 3809 CONECT 3806 3805 3807 CONECT 3807 3803 3806 3808 CONECT 3808 3807 CONECT 3809 3805 CONECT 3810 3804 CONECT 3811 3802 3812 CONECT 3812 3811 3813 3826 3858 CONECT 3813 3812 3814 CONECT 3814 3813 3815 3820 3857 CONECT 3815 3814 3816 3818 3819 CONECT 3816 3815 3817 CONECT 3817 3816 CONECT 3818 3815 CONECT 3819 3815 CONECT 3820 3814 3821 3823 3856 CONECT 3821 3820 3822 CONECT 3822 3821 CONECT 3823 3820 3824 3826 3855 CONECT 3824 3823 3825 CONECT 3825 3824 CONECT 3826 3812 3823 3827 3854 CONECT 3827 3826 3828 CONECT 3828 3827 3829 3833 3853 CONECT 3829 3828 3830 3850 3852 CONECT 3830 3829 3831 3843 3849 CONECT 3831 3830 3832 3840 3842 CONECT 3832 3831 3833 3834 3839 CONECT 3833 3828 3832 CONECT 3834 3832 3835 3837 3838 CONECT 3835 3834 3836 CONECT 3836 3835 CONECT 3837 3834 CONECT 3838 3834 CONECT 3839 3832 CONECT 3840 3831 3841 CONECT 3841 3840 CONECT 3842 3831 CONECT 3843 3830 3844 CONECT 3844 3843 3845 3848 CONECT 3845 3844 3846 3847 CONECT 3846 3845 CONECT 3847 3845 CONECT 3848 3844 CONECT 3849 3830 CONECT 3850 3829 3851 CONECT 3851 3850 CONECT 3852 3829 CONECT 3853 3828 CONECT 3854 3826 CONECT 3855 3823 CONECT 3856 3820 CONECT 3857 3814 CONECT 3858 3812 CONECT 3859 3802 CONECT 3860 3723 CONECT 3861 3722 CONECT 3862 3698 CONECT 3863 3697 CONECT 3864 3697 CONECT 3865 3696 CONECT 3866 3696 CONECT 3867 3695 3868 3869 3870 CONECT 3868 3867 CONECT 3869 3867 CONECT 3870 3867 CONECT 3871 3695 CONECT 3872 3694 CONECT 3873 3693 CONECT 3874 3693 MASTER 0 0 0 0 0 0 0 0 3872 2 190 20 END
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Structure:
Ligand 2D
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Protein
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Related entries of code: 1ewj
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1jif
RCSB PDB
PDBbind
BLM
2a4w
RCSB PDB
PDBbind
BLM
Entry Information
PDB ID
1ewj
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
bleomycin resistance determinant
Ligand Name
BLM
EC.Number
E.C.-.-.-.-
Resolution
2.5(Å)
Affinity (Kd/Ki/IC50)
Kd=32nM
Release Year
2001
Protein/NA Sequence
Check fasta file
Primary Reference
J.Biol.Chem. v276 pp. 9992-9, 2001
Ligand Properties
Formula
C
5
5
H
8
6
N
1
7
O
2
1
S
3
Molecular Weight
1417.570
Exact Mass
1416.530
No. of atoms
182
No. of bonds
187
Polar Surface Area
715.05
LOGP Value
-7.48 (
Computed with XLOGP3
)
-4.16 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 20
No. of Hydrogen Bond Acceptors: 21
No. of Rotatable Bonds: 49
No. of Nitrogen and Oxygen Atoms: 38
No. of Rings: 6
Canonical SMILES
OC[C@@H]1O[C@@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCC[S](C)C)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)[NH2+]C[C@@H](C(=O)N)[NH3+])c2[nH]cnc2)[C@H]([C@H]([C@@H]1O)O)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O
InChI String
InChI=1S/C55H84N17O21S3/c1-20-33(69-46(72-44(20)58)25(12-31(57)76)64-13-24(56)45(59)82)50(86)71-35(41(26-14-61-19-65-26)91-54-43(39(80)37(78)29(15-73)90-54)92-53-40(81)42(93-55(60)88)38(79)30(16-74)89-53)51(87)66-22(3)36(77)21(2)47(83)70-34(23(4)75)49(85)63-10-8-32-67-28(18-94-32)52-68-27(17-95-52)48(84)62-9-7-11-96(5)6/h14,17-19,21-25,29-30,34-43,53-54,64,73-75,77-81H,7-13,15-16,56H2,1-6H3,(H2,57,76)(H2,59,82)(H2,60,88)(H,61,65)(H,62,84)(H,63,85)(H,66,87)(H,70,83)(H,71,86)(H2,58,69,72)/p+2/t21-,22+,23+,24-,25-,29-,30+,34-,35-,36-,37+,38+,39-,40-,41-,42-,43-,53+,54-/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):
P13081
Entrez Gene ID
NCBI Entrez Gene ID:
59682909
ASD
Information of known allosteric effects of PDB entries
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