Browse entries in the PDBbind-CN Database
HEADER 4RFR_COMPLEX COMPND 4RFR_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 B 201 PRO LEU ALA ALA GLY ALA VAL ILE LEU ARG ARG PHE ALA SEQRES 2 B 201 PHE ASN ALA ALA GLU GLN LEU ILE ARG ASP ILE ASN ASP SEQRES 3 B 201 VAL ALA SER GLN SER PRO PHE ARG GLN MET VAL THR PRO SEQRES 4 B 201 GLY GLY TYR THR MET SER VAL ALA MET THR ASN CYS GLY SEQRES 5 B 201 HIS LEU GLY TRP THR THR HIS ARG GLN GLY TYR LEU TYR SEQRES 6 B 201 SER PRO ILE ASP PRO GLN THR ASN LYS PRO TRP PRO ALA SEQRES 7 B 201 MET PRO GLN SER PHE HIS ASN LEU CYS GLN ARG ALA ALA SEQRES 8 B 201 THR ALA ALA GLY TYR PRO ASP PHE GLN PRO ASP ALA CYS SEQRES 9 B 201 LEU ILE ASN ARG TYR ALA PRO GLY ALA LYS LEU SER LEU SEQRES 10 B 201 HIS GLN ASP LYS ASP GLU PRO ASP LEU ARG ALA PRO ILE SEQRES 11 B 201 VAL SER VAL SER LEU GLY LEU PRO ALA ILE PHE GLN PHE SEQRES 12 B 201 GLY GLY LEU LYS ARG ASN ASP PRO LEU LYS ARG LEU LEU SEQRES 13 B 201 LEU GLU HIS GLY ASP VAL VAL VAL TRP GLY GLY GLU SER SEQRES 14 B 201 ARG LEU PHE TYR HIS GLY ILE GLN PRO LEU LYS ALA GLY SEQRES 15 B 201 PHE HIS PRO LEU THR ILE ASP CYS ARG TYR ASN LEU THR SEQRES 16 B 201 PHE ARG GLN ALA GLY LYS HET MN A 1 1 HET RHN A 453 30 ATOM 1 N PRO B 14 -2.796 20.922 9.332 1.00 44.95 N ATOM 2 CA PRO B 14 -2.614 19.748 8.484 1.00 42.42 C ATOM 3 C PRO B 14 -3.876 18.897 8.383 1.00 38.11 C ATOM 4 O PRO B 14 -4.654 18.819 9.338 1.00 41.08 O ATOM 5 CB PRO B 14 -1.503 18.972 9.198 1.00 47.38 C ATOM 6 CG PRO B 14 -0.700 20.024 9.887 1.00 50.61 C ATOM 7 CD PRO B 14 -1.647 21.142 10.230 1.00 50.06 C ATOM 8 HN2 PRO B 14 -3.652 20.790 9.908 1.00 0.00 H ATOM 9 HN1 PRO B 14 -2.913 21.759 8.726 1.00 0.00 H ATOM 10 N LEU B 15 -4.073 18.271 7.228 1.00 33.46 N ATOM 11 CA LEU B 15 -5.210 17.375 7.022 1.00 36.27 C ATOM 12 C LEU B 15 -5.069 16.113 7.883 1.00 30.73 C ATOM 13 O LEU B 15 -6.053 15.607 8.429 1.00 27.95 O ATOM 14 CB LEU B 15 -5.322 17.007 5.540 1.00 40.75 C ATOM 15 CG LEU B 15 -6.558 16.220 5.104 1.00 41.54 C ATOM 16 CD1 LEU B 15 -7.847 16.961 5.424 1.00 41.36 C ATOM 17 CD2 LEU B 15 -6.474 15.914 3.617 1.00 43.20 C ATOM 18 H LEU B 15 -3.400 18.422 6.449 1.00 0.00 H ATOM 19 N ALA B 16 -3.838 15.618 8.000 1.00 26.48 N ATOM 20 CA ALA B 16 -3.526 14.465 8.847 1.00 22.74 C ATOM 21 C ALA B 16 -2.176 14.698 9.524 1.00 20.43 C ATOM 22 O ALA B 16 -1.166 14.871 8.846 1.00 19.72 O ATOM 23 CB ALA B 16 -3.491 13.198 8.014 1.00 23.10 C ATOM 24 H ALA B 16 -3.067 16.069 7.468 1.00 0.00 H ATOM 25 N ALA B 17 -2.161 14.700 10.857 1.00 20.09 N ATOM 26 CA ALA B 17 -0.953 15.010 11.626 1.00 17.94 C ATOM 27 C ALA B 17 0.179 14.035 11.322 1.00 16.08 C ATOM 28 O ALA B 17 0.058 12.833 11.558 1.00 15.72 O ATOM 29 CB ALA B 17 -1.257 15.007 13.118 1.00 19.72 C ATOM 30 H ALA B 17 -3.037 14.474 11.369 1.00 0.00 H ATOM 31 N GLY B 18 1.278 14.563 10.795 1.00 16.71 N ATOM 32 CA GLY B 18 2.432 13.753 10.420 1.00 15.09 C ATOM 33 C GLY B 18 2.454 13.316 8.965 1.00 13.10 C ATOM 34 O GLY B 18 3.443 12.747 8.500 1.00 13.95 O ATOM 35 H GLY B 18 1.317 15.591 10.644 1.00 0.00 H ATOM 36 N ALA B 19 1.363 13.551 8.244 1.00 13.05 N ATOM 37 CA ALA B 19 1.278 13.139 6.847 1.00 12.93 C ATOM 38 C ALA B 19 1.765 14.241 5.927 1.00 12.13 C ATOM 39 O ALA B 19 1.581 15.426 6.205 1.00 14.45 O ATOM 40 CB ALA B 19 -0.145 12.753 6.482 1.00 15.15 C ATOM 41 H ALA B 19 0.555 14.037 8.683 1.00 0.00 H ATOM 42 N VAL B 20 2.380 13.837 4.823 1.00 12.06 N ATOM 43 CA VAL B 20 2.867 14.768 3.807 1.00 12.83 C ATOM 44 C VAL B 20 2.312 14.308 2.473 1.00 12.60 C ATOM 45 O VAL B 20 2.688 13.257 1.969 1.00 14.61 O ATOM 46 CB VAL B 20 4.411 14.824 3.746 1.00 14.35 C ATOM 47 CG1 VAL B 20 4.863 15.780 2.650 1.00 15.87 C ATOM 48 CG2 VAL B 20 4.983 15.251 5.087 1.00 14.51 C ATOM 49 H VAL B 20 2.521 12.817 4.675 1.00 0.00 H ATOM 50 N ILE B 21 1.381 15.079 1.924 1.00 12.92 N ATOM 51 CA ILE B 21 0.777 14.758 0.640 1.00 12.21 C ATOM 52 C ILE B 21 1.578 15.419 -0.480 1.00 11.00 C ATOM 53 O ILE B 21 1.784 16.635 -0.469 1.00 12.66 O ATOM 54 CB ILE B 21 -0.685 15.232 0.583 1.00 15.13 C ATOM 55 CG1 ILE B 21 -1.503 14.561 1.693 1.00 16.20 C ATOM 56 CG2 ILE B 21 -1.268 14.939 -0.788 1.00 17.33 C ATOM 57 CD1 ILE B 21 -2.877 15.157 1.902 1.00 18.19 C ATOM 58 H ILE B 21 1.075 15.937 2.426 1.00 0.00 H ATOM 59 N LEU B 22 2.024 14.607 -1.442 1.00 10.71 N ATOM 60 CA LEU B 22 2.823 15.065 -2.569 1.00 11.14 C ATOM 61 C LEU B 22 2.080 14.731 -3.865 1.00 10.65 C ATOM 62 O LEU B 22 2.332 13.710 -4.511 1.00 10.09 O ATOM 63 CB LEU B 22 4.211 14.418 -2.548 1.00 12.02 C ATOM 64 CG LEU B 22 5.031 14.637 -1.278 1.00 12.87 C ATOM 65 CD1 LEU B 22 6.225 13.691 -1.237 1.00 14.11 C ATOM 66 CD2 LEU B 22 5.470 16.093 -1.171 1.00 14.35 C ATOM 67 H LEU B 22 1.788 13.596 -1.383 1.00 0.00 H ATOM 68 N ARG B 23 1.134 15.586 -4.248 1.00 11.47 N ATOM 69 CA ARG B 23 0.321 15.290 -5.425 1.00 11.87 C ATOM 70 C ARG B 23 1.190 15.273 -6.698 1.00 11.55 C ATOM 71 O ARG B 23 2.086 16.104 -6.871 1.00 13.31 O ATOM 72 CB ARG B 23 -0.871 16.256 -5.539 1.00 12.59 C ATOM 73 CG ARG B 23 -1.924 16.041 -4.456 1.00 13.56 C ATOM 74 CD ARG B 23 -3.229 16.777 -4.726 1.00 15.54 C ATOM 75 NE ARG B 23 -4.227 16.434 -3.715 1.00 16.02 N ATOM 76 CZ ARG B 23 -4.351 17.015 -2.521 1.00 15.36 C ATOM 77 NH1 ARG B 23 -3.556 18.018 -2.147 1.00 15.78 N ATOM 78 NH2 ARG B 23 -5.295 16.589 -1.690 1.00 15.89 N ATOM 79 HE ARG B 23 -4.897 15.673 -3.946 1.00 0.00 H ATOM 80 HH12 ARG B 23 -3.674 18.453 -1.210 1.00 0.00 H ATOM 81 HH11 ARG B 23 -2.818 18.365 -2.792 1.00 0.00 H ATOM 82 HH22 ARG B 23 -5.404 17.032 -0.756 1.00 0.00 H ATOM 83 HH21 ARG B 23 -5.926 15.812 -1.974 1.00 0.00 H ATOM 84 H ARG B 23 0.974 16.462 -3.711 1.00 0.00 H ATOM 85 N ARG B 24 0.932 14.279 -7.548 1.00 11.48 N ATOM 86 CA ARG B 24 1.626 14.066 -8.826 1.00 11.50 C ATOM 87 C ARG B 24 3.140 13.836 -8.697 1.00 10.39 C ATOM 88 O ARG B 24 3.854 13.865 -9.691 1.00 11.73 O ATOM 89 CB ARG B 24 1.343 15.217 -9.800 1.00 14.05 C ATOM 90 CG ARG B 24 -0.127 15.364 -10.156 1.00 19.51 C ATOM 91 CD ARG B 24 -0.372 16.596 -11.009 1.00 24.39 C ATOM 92 NE ARG B 24 0.151 16.465 -12.370 1.00 30.57 N ATOM 93 CZ ARG B 24 -0.481 15.876 -13.388 1.00 33.76 C ATOM 94 NH1 ARG B 24 -1.678 15.310 -13.227 1.00 33.30 N ATOM 95 NH2 ARG B 24 0.102 15.844 -14.582 1.00 36.19 N ATOM 96 HE ARG B 24 1.093 16.864 -12.560 1.00 0.00 H ATOM 97 HH12 ARG B 24 -2.152 14.857 -14.034 1.00 0.00 H ATOM 98 HH11 ARG B 24 -2.138 15.322 -12.294 1.00 0.00 H ATOM 99 HH22 ARG B 24 -0.379 15.388 -15.384 1.00 0.00 H ATOM 100 HH21 ARG B 24 1.039 16.275 -14.715 1.00 0.00 H ATOM 101 H ARG B 24 0.184 13.604 -7.288 1.00 0.00 H ATOM 102 N PHE B 25 3.623 13.524 -7.493 1.00 9.80 N ATOM 103 CA PHE B 25 5.060 13.332 -7.287 1.00 10.40 C ATOM 104 C PHE B 25 5.621 12.191 -8.145 1.00 10.86 C ATOM 105 O PHE B 25 6.772 12.257 -8.599 1.00 12.71 O ATOM 106 CB PHE B 25 5.332 13.064 -5.802 1.00 11.26 C ATOM 107 CG PHE B 25 6.782 13.137 -5.411 1.00 12.38 C ATOM 108 CD1 PHE B 25 7.347 14.342 -5.020 1.00 14.30 C ATOM 109 CD2 PHE B 25 7.568 11.991 -5.383 1.00 13.13 C ATOM 110 CE1 PHE B 25 8.668 14.413 -4.630 1.00 15.77 C ATOM 111 CE2 PHE B 25 8.897 12.059 -4.999 1.00 13.89 C ATOM 112 CZ PHE B 25 9.445 13.267 -4.622 1.00 15.40 C ATOM 113 H PHE B 25 2.970 13.416 -6.690 1.00 0.00 H ATOM 114 N ALA B 26 4.809 11.156 -8.361 1.00 10.89 N ATOM 115 CA ALA B 26 5.209 9.997 -9.163 1.00 10.47 C ATOM 116 C ALA B 26 4.654 10.021 -10.588 1.00 11.13 C ATOM 117 O ALA B 26 4.721 9.011 -11.296 1.00 12.26 O ATOM 118 CB ALA B 26 4.768 8.718 -8.473 1.00 10.68 C ATOM 119 H ALA B 26 3.856 11.172 -7.945 1.00 0.00 H ATOM 120 N PHE B 27 4.131 11.163 -11.026 1.00 11.59 N ATOM 121 CA PHE B 27 3.517 11.234 -12.353 1.00 12.50 C ATOM 122 C PHE B 27 4.522 10.904 -13.464 1.00 12.39 C ATOM 123 O PHE B 27 4.241 10.077 -14.329 1.00 13.14 O ATOM 124 CB PHE B 27 2.880 12.611 -12.578 1.00 13.60 C ATOM 125 CG PHE B 27 2.080 12.709 -13.847 1.00 15.03 C ATOM 126 CD1 PHE B 27 2.702 13.025 -15.048 1.00 16.34 C ATOM 127 CD2 PHE B 27 0.708 12.501 -13.840 1.00 16.07 C ATOM 128 CE1 PHE B 27 1.968 13.118 -16.221 1.00 18.93 C ATOM 129 CE2 PHE B 27 -0.029 12.589 -15.009 1.00 18.72 C ATOM 130 CZ PHE B 27 0.604 12.903 -16.202 1.00 19.76 C ATOM 131 H PHE B 27 4.158 12.010 -10.423 1.00 0.00 H ATOM 132 N ASN B 28 5.696 11.527 -13.424 1.00 12.96 N ATOM 133 CA ASN B 28 6.713 11.279 -14.455 1.00 15.18 C ATOM 134 C ASN B 28 7.282 9.856 -14.402 1.00 14.64 C ATOM 135 O ASN B 28 7.650 9.304 -15.434 1.00 18.99 O ATOM 136 CB ASN B 28 7.858 12.303 -14.367 1.00 16.66 C ATOM 137 CG ASN B 28 7.435 13.717 -14.754 1.00 21.74 C ATOM 138 OD1 ASN B 28 8.126 14.687 -14.416 1.00 29.21 O ATOM 139 ND2 ASN B 28 6.321 13.848 -15.470 1.00 20.43 N ATOM 140 HD22 ASN B 28 5.770 13.006 -15.733 1.00 0.00 H ATOM 141 HD21 ASN B 28 6.002 14.792 -15.767 1.00 0.00 H ATOM 142 H ASN B 28 5.897 12.197 -12.654 1.00 0.00 H ATOM 143 N ALA B 29 7.348 9.275 -13.208 1.00 13.53 N ATOM 144 CA ALA B 29 7.878 7.922 -13.015 1.00 13.60 C ATOM 145 C ALA B 29 6.866 6.820 -13.316 1.00 12.18 C ATOM 146 O ALA B 29 7.224 5.644 -13.362 1.00 12.87 O ATOM 147 CB ALA B 29 8.377 7.767 -11.589 1.00 14.52 C ATOM 148 H ALA B 29 7.010 9.802 -12.377 1.00 0.00 H ATOM 149 N ALA B 30 5.604 7.192 -13.499 1.00 12.05 N ATOM 150 CA ALA B 30 4.516 6.223 -13.519 1.00 12.54 C ATOM 151 C ALA B 30 4.671 5.110 -14.556 1.00 12.65 C ATOM 152 O ALA B 30 4.431 3.947 -14.252 1.00 12.96 O ATOM 153 CB ALA B 30 3.183 6.928 -13.707 1.00 13.21 C ATOM 154 H ALA B 30 5.387 8.200 -13.631 1.00 0.00 H ATOM 155 N GLU B 31 5.054 5.457 -15.780 1.00 13.33 N ATOM 156 CA GLU B 31 5.157 4.440 -16.830 1.00 14.42 C ATOM 157 C GLU B 31 6.199 3.377 -16.450 1.00 12.89 C ATOM 158 O GLU B 31 5.949 2.170 -16.573 1.00 12.76 O ATOM 159 CB GLU B 31 5.465 5.062 -18.199 1.00 17.21 C ATOM 160 CG GLU B 31 5.221 4.094 -19.348 1.00 21.19 C ATOM 161 CD GLU B 31 5.279 4.730 -20.728 1.00 27.53 C ATOM 162 OE1 GLU B 31 5.444 3.966 -21.705 1.00 38.03 O ATOM 163 OE2 GLU B 31 5.160 5.969 -20.855 1.00 31.61 O ATOM 164 H GLU B 31 5.280 6.449 -15.993 1.00 0.00 H ATOM 165 N GLN B 32 7.349 3.820 -15.953 1.00 12.42 N ATOM 166 CA GLN B 32 8.360 2.892 -15.466 1.00 13.15 C ATOM 167 C GLN B 32 7.868 2.083 -14.271 1.00 11.56 C ATOM 168 O GLN B 32 8.087 0.866 -14.199 1.00 11.29 O ATOM 169 CB GLN B 32 9.664 3.620 -15.123 1.00 14.59 C ATOM 170 CG GLN B 32 10.786 2.699 -14.681 1.00 15.28 C ATOM 171 CD GLN B 32 11.220 1.749 -15.770 1.00 16.86 C ATOM 172 OE1 GLN B 32 11.487 2.175 -16.895 1.00 21.51 O ATOM 173 NE2 GLN B 32 11.298 0.464 -15.450 1.00 17.30 N ATOM 174 HE22 GLN B 32 11.062 0.153 -14.486 1.00 0.00 H ATOM 175 HE21 GLN B 32 11.595 -0.232 -16.163 1.00 0.00 H ATOM 176 H GLN B 32 7.529 4.843 -15.911 1.00 0.00 H ATOM 177 N LEU B 33 7.210 2.739 -13.326 1.00 10.83 N ATOM 178 CA LEU B 33 6.688 2.025 -12.165 1.00 9.85 C ATOM 179 C LEU B 33 5.742 0.893 -12.581 1.00 10.03 C ATOM 180 O LEU B 33 5.799 -0.204 -12.031 1.00 10.78 O ATOM 181 CB LEU B 33 5.980 2.975 -11.195 1.00 10.26 C ATOM 182 CG LEU B 33 6.857 4.022 -10.492 1.00 11.87 C ATOM 183 CD1 LEU B 33 5.975 5.027 -9.778 1.00 11.92 C ATOM 184 CD2 LEU B 33 7.863 3.396 -9.529 1.00 11.39 C ATOM 185 H LEU B 33 7.065 3.765 -13.412 1.00 0.00 H ATOM 186 N ILE B 34 4.879 1.166 -13.555 1.00 11.19 N ATOM 187 CA ILE B 34 3.904 0.186 -14.010 1.00 11.50 C ATOM 188 C ILE B 34 4.604 -0.968 -14.740 1.00 12.14 C ATOM 189 O ILE B 34 4.251 -2.130 -14.545 1.00 13.01 O ATOM 190 CB ILE B 34 2.792 0.865 -14.841 1.00 12.69 C ATOM 191 CG1 ILE B 34 1.962 1.782 -13.920 1.00 13.16 C ATOM 192 CG2 ILE B 34 1.902 -0.176 -15.513 1.00 14.21 C ATOM 193 CD1 ILE B 34 1.150 2.836 -14.647 1.00 13.29 C ATOM 194 H ILE B 34 4.901 2.104 -14.003 1.00 0.00 H ATOM 195 N ARG B 35 5.621 -0.665 -15.542 1.00 12.53 N ATOM 196 CA ARG B 35 6.439 -1.709 -16.159 1.00 13.07 C ATOM 197 C ARG B 35 7.008 -2.629 -15.078 1.00 12.54 C ATOM 198 O ARG B 35 7.001 -3.848 -15.202 1.00 13.00 O ATOM 199 CB ARG B 35 7.576 -1.094 -16.985 1.00 14.05 C ATOM 200 CG ARG B 35 8.606 -2.095 -17.484 1.00 15.61 C ATOM 201 CD ARG B 35 9.468 -1.513 -18.590 1.00 17.49 C ATOM 202 NE ARG B 35 10.244 -2.543 -19.281 1.00 19.37 N ATOM 203 CZ ARG B 35 9.836 -3.174 -20.379 1.00 22.47 C ATOM 204 NH1 ARG B 35 8.660 -2.879 -20.915 1.00 24.85 N ATOM 205 NH2 ARG B 35 10.606 -4.095 -20.946 1.00 23.96 N ATOM 206 HE ARG B 35 11.173 -2.798 -18.889 1.00 0.00 H ATOM 207 HH12 ARG B 35 8.341 -3.372 -21.773 1.00 0.00 H ATOM 208 HH11 ARG B 35 8.056 -2.154 -20.477 1.00 0.00 H ATOM 209 HH22 ARG B 35 10.283 -4.586 -21.804 1.00 0.00 H ATOM 210 HH21 ARG B 35 11.532 -4.326 -20.532 1.00 0.00 H ATOM 211 H ARG B 35 5.839 0.334 -15.734 1.00 0.00 H ATOM 212 N ASP B 36 7.516 -2.027 -14.010 1.00 10.94 N ATOM 213 CA ASP B 36 8.111 -2.797 -12.930 1.00 11.82 C ATOM 214 C ASP B 36 7.073 -3.585 -12.119 1.00 11.22 C ATOM 215 O ASP B 36 7.353 -4.710 -11.688 1.00 11.34 O ATOM 216 CB ASP B 36 9.009 -1.896 -12.074 1.00 12.52 C ATOM 217 CG ASP B 36 10.340 -1.587 -12.774 1.00 14.84 C ATOM 218 OD1 ASP B 36 10.883 -2.496 -13.440 1.00 20.43 O ATOM 219 OD2 ASP B 36 10.836 -0.451 -12.685 1.00 14.03 O ATOM 220 H ASP B 36 7.488 -0.989 -13.945 1.00 0.00 H ATOM 221 N ILE B 37 5.873 -3.033 -11.934 1.00 10.20 N ATOM 222 CA ILE B 37 4.773 -3.823 -11.359 1.00 10.64 C ATOM 223 C ILE B 37 4.559 -5.095 -12.188 1.00 11.15 C ATOM 224 O ILE B 37 4.447 -6.199 -11.647 1.00 11.26 O ATOM 225 CB ILE B 37 3.453 -3.029 -11.296 1.00 10.74 C ATOM 226 CG1 ILE B 37 3.550 -1.941 -10.226 1.00 10.47 C ATOM 227 CG2 ILE B 37 2.268 -3.959 -11.030 1.00 11.45 C ATOM 228 CD1 ILE B 37 2.431 -0.922 -10.279 1.00 11.23 C ATOM 229 H ILE B 37 5.714 -2.040 -12.197 1.00 0.00 H ATOM 230 N ASN B 38 4.497 -4.945 -13.505 1.00 11.80 N ATOM 231 CA ASN B 38 4.282 -6.094 -14.369 1.00 12.40 C ATOM 232 C ASN B 38 5.417 -7.106 -14.249 1.00 12.81 C ATOM 233 O ASN B 38 5.173 -8.308 -14.229 1.00 13.45 O ATOM 234 CB ASN B 38 4.104 -5.659 -15.824 1.00 13.92 C ATOM 235 CG ASN B 38 2.818 -4.902 -16.052 1.00 16.59 C ATOM 236 OD1 ASN B 38 1.813 -5.148 -15.391 1.00 21.02 O ATOM 237 ND2 ASN B 38 2.839 -3.978 -17.006 1.00 20.86 N ATOM 238 HD22 ASN B 38 3.713 -3.803 -17.541 1.00 0.00 H ATOM 239 HD21 ASN B 38 1.981 -3.430 -17.218 1.00 0.00 H ATOM 240 H ASN B 38 4.603 -3.998 -13.922 1.00 0.00 H ATOM 241 N ASP B 39 6.647 -6.620 -14.125 1.00 12.54 N ATOM 242 CA ASP B 39 7.799 -7.501 -13.959 1.00 13.11 C ATOM 243 C ASP B 39 7.716 -8.265 -12.635 1.00 12.44 C ATOM 244 O ASP B 39 7.939 -9.477 -12.581 1.00 13.79 O ATOM 245 CB ASP B 39 9.102 -6.707 -14.031 1.00 13.57 C ATOM 246 CG ASP B 39 10.329 -7.605 -14.052 1.00 17.87 C ATOM 247 OD1 ASP B 39 10.289 -8.661 -14.717 1.00 23.34 O ATOM 248 OD2 ASP B 39 11.336 -7.260 -13.413 1.00 23.46 O ATOM 249 H ASP B 39 6.792 -5.590 -14.147 1.00 0.00 H ATOM 250 N VAL B 40 7.393 -7.559 -11.561 1.00 11.81 N ATOM 251 CA VAL B 40 7.229 -8.203 -10.258 1.00 11.81 C ATOM 252 C VAL B 40 6.146 -9.276 -10.333 1.00 11.59 C ATOM 253 O VAL B 40 6.350 -10.410 -9.884 1.00 12.48 O ATOM 254 CB VAL B 40 6.918 -7.161 -9.164 1.00 12.42 C ATOM 255 CG1 VAL B 40 6.492 -7.828 -7.860 1.00 12.50 C ATOM 256 CG2 VAL B 40 8.139 -6.291 -8.923 1.00 12.77 C ATOM 257 H VAL B 40 7.254 -6.532 -11.646 1.00 0.00 H ATOM 258 N ALA B 41 5.005 -8.923 -10.916 1.00 12.19 N ATOM 259 CA ALA B 41 3.860 -9.831 -10.993 1.00 13.41 C ATOM 260 C ALA B 41 4.103 -11.038 -11.891 1.00 14.38 C ATOM 261 O ALA B 41 3.476 -12.069 -11.705 1.00 15.65 O ATOM 262 CB ALA B 41 2.611 -9.076 -11.430 1.00 14.56 C ATOM 263 H ALA B 41 4.923 -7.972 -11.330 1.00 0.00 H ATOM 264 N SER B 42 5.035 -10.919 -12.832 1.00 14.55 N ATOM 265 CA SER B 42 5.399 -12.037 -13.690 1.00 14.89 C ATOM 266 C SER B 42 6.088 -13.135 -12.881 1.00 16.19 C ATOM 267 O SER B 42 6.137 -14.291 -13.312 1.00 19.88 O ATOM 268 CB SER B 42 6.299 -11.574 -14.843 1.00 17.34 C ATOM 269 OG SER B 42 7.645 -11.393 -14.444 1.00 17.49 O ATOM 270 HG SER B 42 7.687 -10.708 -13.731 1.00 0.00 H ATOM 271 H SER B 42 5.515 -10.005 -12.958 1.00 0.00 H ATOM 272 N GLN B 43 6.628 -12.761 -11.724 1.00 15.27 N ATOM 273 CA GLN B 43 7.352 -13.685 -10.855 1.00 14.83 C ATOM 274 C GLN B 43 6.495 -14.112 -9.667 1.00 16.26 C ATOM 275 O GLN B 43 6.344 -15.306 -9.404 1.00 18.56 O ATOM 276 CB GLN B 43 8.636 -13.032 -10.354 1.00 16.85 C ATOM 277 CG GLN B 43 9.619 -12.655 -11.446 1.00 19.23 C ATOM 278 CD GLN B 43 10.677 -11.688 -10.956 1.00 22.11 C ATOM 279 OE1 GLN B 43 11.598 -12.074 -10.239 1.00 27.20 O ATOM 280 NE2 GLN B 43 10.549 -10.420 -11.334 1.00 23.13 N ATOM 281 HE22 GLN B 43 9.754 -10.136 -11.942 1.00 0.00 H ATOM 282 HE21 GLN B 43 11.244 -9.712 -11.022 1.00 0.00 H ATOM 283 H GLN B 43 6.531 -11.769 -11.426 1.00 0.00 H ATOM 284 N SER B 44 5.963 -13.132 -8.940 1.00 14.43 N ATOM 285 CA SER B 44 5.009 -13.364 -7.854 1.00 13.24 C ATOM 286 C SER B 44 3.666 -12.792 -8.289 1.00 12.26 C ATOM 287 O SER B 44 3.455 -11.582 -8.196 1.00 12.73 O ATOM 288 CB SER B 44 5.472 -12.686 -6.558 1.00 12.66 C ATOM 289 OG SER B 44 6.383 -13.506 -5.840 1.00 13.69 O ATOM 290 HG SER B 44 5.942 -14.361 -5.607 1.00 0.00 H ATOM 291 H SER B 44 6.239 -12.152 -9.154 1.00 0.00 H ATOM 292 N PRO B 45 2.761 -13.643 -8.788 1.00 13.53 N ATOM 293 CA PRO B 45 1.534 -13.113 -9.374 1.00 12.99 C ATOM 294 C PRO B 45 0.615 -12.412 -8.379 1.00 12.29 C ATOM 295 O PRO B 45 0.629 -12.706 -7.175 1.00 12.68 O ATOM 296 CB PRO B 45 0.847 -14.361 -9.941 1.00 16.13 C ATOM 297 CG PRO B 45 1.949 -15.344 -10.128 1.00 19.42 C ATOM 298 CD PRO B 45 2.858 -15.102 -8.964 1.00 16.08 C ATOM 299 N PHE B 46 -0.197 -11.501 -8.894 1.00 11.79 N ATOM 300 CA PHE B 46 -1.283 -10.961 -8.100 1.00 11.11 C ATOM 301 C PHE B 46 -2.174 -12.110 -7.636 1.00 11.93 C ATOM 302 O PHE B 46 -2.487 -13.019 -8.411 1.00 13.70 O ATOM 303 CB PHE B 46 -2.099 -9.937 -8.895 1.00 11.67 C ATOM 304 CG PHE B 46 -1.448 -8.597 -8.970 1.00 11.07 C ATOM 305 CD1 PHE B 46 -1.459 -7.755 -7.872 1.00 11.30 C ATOM 306 CD2 PHE B 46 -0.815 -8.174 -10.129 1.00 11.49 C ATOM 307 CE1 PHE B 46 -0.850 -6.515 -7.922 1.00 11.17 C ATOM 308 CE2 PHE B 46 -0.212 -6.932 -10.189 1.00 11.13 C ATOM 309 CZ PHE B 46 -0.227 -6.100 -9.083 1.00 11.61 C ATOM 310 H PHE B 46 -0.055 -11.172 -9.870 1.00 0.00 H ATOM 311 N ARG B 47 -2.563 -12.064 -6.370 1.00 12.59 N ATOM 312 CA ARG B 47 -3.531 -13.000 -5.827 1.00 12.91 C ATOM 313 C ARG B 47 -4.444 -12.287 -4.837 1.00 12.62 C ATOM 314 O ARG B 47 -4.054 -11.297 -4.200 1.00 12.61 O ATOM 315 CB ARG B 47 -2.846 -14.230 -5.191 1.00 13.10 C ATOM 316 CG ARG B 47 -2.342 -14.110 -3.751 1.00 14.37 C ATOM 317 CD ARG B 47 -1.240 -13.081 -3.552 1.00 14.12 C ATOM 318 NE ARG B 47 -0.108 -13.273 -4.463 1.00 13.67 N ATOM 319 CZ ARG B 47 0.997 -13.966 -4.195 1.00 13.93 C ATOM 320 NH1 ARG B 47 1.184 -14.560 -3.016 1.00 15.18 N ATOM 321 NH2 ARG B 47 1.935 -14.059 -5.126 1.00 13.55 N ATOM 322 HE ARG B 47 -0.174 -12.829 -5.401 1.00 0.00 H ATOM 323 HH12 ARG B 47 2.058 -15.095 -2.836 1.00 0.00 H ATOM 324 HH11 ARG B 47 0.456 -14.489 -2.277 1.00 0.00 H ATOM 325 HH22 ARG B 47 2.805 -14.596 -4.936 1.00 0.00 H ATOM 326 HH21 ARG B 47 1.801 -13.595 -6.047 1.00 0.00 H ATOM 327 H ARG B 47 -2.162 -11.335 -5.746 1.00 0.00 H ATOM 328 N GLN B 48 -5.670 -12.782 -4.734 1.00 13.13 N ATOM 329 CA GLN B 48 -6.614 -12.278 -3.749 1.00 12.80 C ATOM 330 C GLN B 48 -6.524 -13.165 -2.520 1.00 13.59 C ATOM 331 O GLN B 48 -6.883 -14.356 -2.561 1.00 16.05 O ATOM 332 CB GLN B 48 -8.027 -12.266 -4.308 1.00 13.96 C ATOM 333 CG GLN B 48 -8.201 -11.237 -5.406 1.00 14.48 C ATOM 334 CD GLN B 48 -9.487 -11.417 -6.171 1.00 19.51 C ATOM 335 OE1 GLN B 48 -9.486 -11.944 -7.281 1.00 29.07 O ATOM 336 NE2 GLN B 48 -10.591 -11.016 -5.574 1.00 21.80 N ATOM 337 HE22 GLN B 48 -10.543 -10.575 -4.634 1.00 0.00 H ATOM 338 HE21 GLN B 48 -11.511 -11.141 -6.043 1.00 0.00 H ATOM 339 H GLN B 48 -5.963 -13.549 -5.373 1.00 0.00 H ATOM 340 N MET B 49 -6.023 -12.585 -1.438 1.00 13.66 N ATOM 341 CA MET B 49 -5.804 -13.322 -0.208 1.00 14.44 C ATOM 342 C MET B 49 -7.102 -13.536 0.555 1.00 13.28 C ATOM 343 O MET B 49 -8.078 -12.829 0.361 1.00 14.69 O ATOM 344 CB MET B 49 -4.784 -12.597 0.653 1.00 16.69 C ATOM 345 CG MET B 49 -3.434 -12.489 -0.032 1.00 19.00 C ATOM 346 SD MET B 49 -2.237 -11.698 1.037 1.00 22.26 S ATOM 347 CE MET B 49 -0.884 -11.343 -0.084 1.00 21.43 C ATOM 348 H MET B 49 -5.780 -11.574 -1.472 1.00 0.00 H ATOM 349 N VAL B 50 -7.101 -14.555 1.404 1.00 14.08 N ATOM 350 CA VAL B 50 -8.225 -14.862 2.267 1.00 15.61 C ATOM 351 C VAL B 50 -7.952 -14.295 3.653 1.00 17.97 C ATOM 352 O VAL B 50 -6.889 -14.531 4.226 1.00 20.79 O ATOM 353 CB VAL B 50 -8.436 -16.385 2.388 1.00 17.02 C ATOM 354 CG1 VAL B 50 -9.594 -16.692 3.332 1.00 19.00 C ATOM 355 CG2 VAL B 50 -8.670 -16.999 1.016 1.00 17.96 C ATOM 356 H VAL B 50 -6.257 -15.160 1.453 1.00 0.00 H ATOM 357 N THR B 51 -8.929 -13.580 4.199 1.00 18.84 N ATOM 358 CA THR B 51 -8.805 -12.980 5.526 1.00 23.54 C ATOM 359 C THR B 51 -8.949 -14.058 6.607 1.00 27.35 C ATOM 360 O THR B 51 -9.472 -15.136 6.334 1.00 27.10 O ATOM 361 CB THR B 51 -9.890 -11.913 5.758 1.00 26.19 C ATOM 362 OG1 THR B 51 -11.186 -12.529 5.762 1.00 27.97 O ATOM 363 CG2 THR B 51 -9.844 -10.846 4.683 1.00 25.69 C ATOM 364 HG1 THR B 51 -11.343 -12.971 4.890 1.00 0.00 H ATOM 365 H THR B 51 -9.811 -13.443 3.665 1.00 0.00 H ATOM 366 N PRO B 52 -8.497 -13.767 7.845 1.00 33.15 N ATOM 367 CA PRO B 52 -8.764 -14.677 8.969 1.00 34.06 C ATOM 368 C PRO B 52 -10.254 -15.004 9.154 1.00 34.81 C ATOM 369 O PRO B 52 -10.586 -16.101 9.601 1.00 41.38 O ATOM 370 CB PRO B 52 -8.212 -13.910 10.169 1.00 36.23 C ATOM 371 CG PRO B 52 -7.098 -13.104 9.602 1.00 37.44 C ATOM 372 CD PRO B 52 -7.549 -12.703 8.222 1.00 35.91 C ATOM 373 N GLY B 53 -11.134 -14.069 8.798 1.00 32.56 N ATOM 374 CA GLY B 53 -12.579 -14.317 8.787 1.00 34.96 C ATOM 375 C GLY B 53 -13.068 -15.242 7.676 1.00 30.76 C ATOM 376 O GLY B 53 -14.231 -15.648 7.670 1.00 30.93 O ATOM 377 H GLY B 53 -10.784 -13.131 8.518 1.00 0.00 H ATOM 378 N GLY B 54 -12.197 -15.560 6.720 1.00 26.14 N ATOM 379 CA GLY B 54 -12.520 -16.534 5.676 1.00 22.23 C ATOM 380 C GLY B 54 -13.006 -15.922 4.371 1.00 22.61 C ATOM 381 O GLY B 54 -13.438 -16.640 3.473 1.00 19.45 O ATOM 382 H GLY B 54 -11.262 -15.104 6.715 1.00 0.00 H ATOM 383 N TYR B 55 -12.921 -14.604 4.246 1.00 20.43 N ATOM 384 CA TYR B 55 -13.415 -13.919 3.059 1.00 20.47 C ATOM 385 C TYR B 55 -12.268 -13.628 2.095 1.00 17.97 C ATOM 386 O TYR B 55 -11.144 -13.325 2.503 1.00 19.55 O ATOM 387 CB TYR B 55 -14.162 -12.638 3.443 1.00 24.65 C ATOM 388 CG TYR B 55 -15.549 -12.905 4.007 1.00 29.55 C ATOM 389 CD1 TYR B 55 -16.649 -13.077 3.162 1.00 32.68 C ATOM 390 CD2 TYR B 55 -15.757 -13.004 5.380 1.00 32.36 C ATOM 391 CE1 TYR B 55 -17.915 -13.323 3.672 1.00 36.40 C ATOM 392 CE2 TYR B 55 -17.022 -13.250 5.900 1.00 38.55 C ATOM 393 CZ TYR B 55 -18.096 -13.412 5.043 1.00 40.55 C ATOM 394 OH TYR B 55 -19.354 -13.658 5.553 1.00 47.45 O ATOM 395 HH TYR B 55 -19.999 -13.747 4.808 1.00 0.00 H ATOM 396 H TYR B 55 -12.492 -14.047 5.013 1.00 0.00 H ATOM 397 N THR B 56 -12.558 -13.752 0.808 1.00 16.51 N ATOM 398 CA THR B 56 -11.592 -13.447 -0.227 1.00 14.18 C ATOM 399 C THR B 56 -11.611 -11.943 -0.448 1.00 13.19 C ATOM 400 O THR B 56 -12.653 -11.362 -0.737 1.00 15.91 O ATOM 401 CB THR B 56 -11.893 -14.217 -1.526 1.00 14.25 C ATOM 402 OG1 THR B 56 -11.765 -15.627 -1.269 1.00 16.72 O ATOM 403 CG2 THR B 56 -10.927 -13.827 -2.627 1.00 15.08 C ATOM 404 HG1 THR B 56 -12.408 -15.892 -0.564 1.00 0.00 H ATOM 405 H THR B 56 -13.507 -14.078 0.533 1.00 0.00 H ATOM 406 N MET B 57 -10.455 -11.321 -0.270 1.00 12.38 N ATOM 407 CA MET B 57 -10.319 -9.891 -0.497 1.00 12.03 C ATOM 408 C MET B 57 -10.626 -9.563 -1.952 1.00 11.57 C ATOM 409 O MET B 57 -10.292 -10.335 -2.850 1.00 13.49 O ATOM 410 CB MET B 57 -8.900 -9.440 -0.161 1.00 14.05 C ATOM 411 CG MET B 57 -8.521 -9.608 1.300 1.00 16.99 C ATOM 412 SD MET B 57 -6.875 -8.976 1.671 1.00 21.83 S ATOM 413 CE MET B 57 -7.264 -7.233 1.725 1.00 22.10 C ATOM 414 H MET B 57 -9.626 -11.868 0.039 1.00 0.00 H ATOM 415 N SER B 58 -11.232 -8.401 -2.177 1.00 11.31 N ATOM 416 CA SER B 58 -11.494 -7.927 -3.531 1.00 11.12 C ATOM 417 C SER B 58 -10.257 -7.303 -4.160 1.00 10.91 C ATOM 418 O SER B 58 -10.101 -7.345 -5.370 1.00 12.06 O ATOM 419 CB SER B 58 -12.656 -6.936 -3.547 1.00 11.34 C ATOM 420 OG SER B 58 -12.401 -5.805 -2.737 1.00 12.56 O ATOM 421 HG SER B 58 -12.256 -6.096 -1.802 1.00 0.00 H ATOM 422 H SER B 58 -11.526 -7.817 -1.369 1.00 0.00 H ATOM 423 N VAL B 59 -9.383 -6.741 -3.331 1.00 11.48 N ATOM 424 CA VAL B 59 -8.089 -6.241 -3.784 1.00 10.91 C ATOM 425 C VAL B 59 -7.163 -7.424 -4.032 1.00 11.01 C ATOM 426 O VAL B 59 -7.126 -8.345 -3.235 1.00 12.67 O ATOM 427 CB VAL B 59 -7.472 -5.295 -2.740 1.00 12.08 C ATOM 428 CG1 VAL B 59 -6.075 -4.835 -3.155 1.00 12.83 C ATOM 429 CG2 VAL B 59 -8.372 -4.101 -2.567 1.00 14.54 C ATOM 430 H VAL B 59 -9.630 -6.655 -2.324 1.00 0.00 H ATOM 431 N ALA B 60 -6.457 -7.400 -5.159 1.00 10.01 N ATOM 432 CA ALA B 60 -5.431 -8.385 -5.483 1.00 10.56 C ATOM 433 C ALA B 60 -4.078 -7.811 -5.112 1.00 10.19 C ATOM 434 O ALA B 60 -3.854 -6.604 -5.246 1.00 11.43 O ATOM 435 CB ALA B 60 -5.471 -8.745 -6.955 1.00 11.43 C ATOM 436 H ALA B 60 -6.646 -6.641 -5.844 1.00 0.00 H ATOM 437 N MET B 61 -3.180 -8.666 -4.629 1.00 10.90 N ATOM 438 CA MET B 61 -1.922 -8.219 -4.058 1.00 10.85 C ATOM 439 C MET B 61 -0.729 -9.027 -4.513 1.00 10.29 C ATOM 440 O MET B 61 -0.846 -10.206 -4.866 1.00 11.52 O ATOM 441 CB MET B 61 -1.985 -8.333 -2.538 1.00 13.25 C ATOM 442 CG MET B 61 -3.041 -7.468 -1.921 1.00 14.98 C ATOM 443 SD MET B 61 -3.156 -7.794 -0.162 1.00 17.72 S ATOM 444 CE MET B 61 -4.169 -6.401 0.340 1.00 19.89 C ATOM 445 H MET B 61 -3.385 -9.685 -4.661 1.00 0.00 H ATOM 446 N THR B 62 0.423 -8.375 -4.471 1.00 9.70 N ATOM 447 CA THR B 62 1.711 -9.044 -4.486 1.00 10.27 C ATOM 448 C THR B 62 2.717 -8.154 -3.754 1.00 9.92 C ATOM 449 O THR B 62 2.340 -7.118 -3.214 1.00 10.00 O ATOM 450 CB THR B 62 2.153 -9.457 -5.909 1.00 11.05 C ATOM 451 OG1 THR B 62 3.305 -10.298 -5.811 1.00 12.01 O ATOM 452 CG2 THR B 62 2.470 -8.271 -6.789 1.00 11.60 C ATOM 453 HG1 THR B 62 3.594 -10.567 -6.719 1.00 0.00 H ATOM 454 H THR B 62 0.404 -7.336 -4.425 1.00 0.00 H ATOM 455 N ASN B 63 3.977 -8.571 -3.686 1.00 9.59 N ATOM 456 CA ASN B 63 4.996 -7.799 -2.984 1.00 10.47 C ATOM 457 C ASN B 63 6.315 -7.877 -3.703 1.00 10.17 C ATOM 458 O ASN B 63 6.570 -8.809 -4.468 1.00 10.72 O ATOM 459 CB ASN B 63 5.274 -8.317 -1.560 1.00 10.95 C ATOM 460 CG ASN B 63 4.075 -8.276 -0.646 1.00 11.42 C ATOM 461 OD1 ASN B 63 3.901 -7.324 0.114 1.00 11.75 O ATOM 462 ND2 ASN B 63 3.287 -9.344 -0.651 1.00 11.27 N ATOM 463 HD22 ASN B 63 3.474 -10.125 -1.312 1.00 0.00 H ATOM 464 HD21 ASN B 63 2.483 -9.400 0.006 1.00 0.00 H ATOM 465 H ASN B 63 4.242 -9.467 -4.143 1.00 0.00 H ATOM 466 N CYS B 64 7.165 -6.900 -3.418 1.00 10.99 N ATOM 467 CA CYS B 64 8.580 -6.987 -3.746 1.00 11.06 C ATOM 468 C CYS B 64 9.404 -6.453 -2.589 1.00 11.02 C ATOM 469 O CYS B 64 8.884 -5.783 -1.693 1.00 13.26 O ATOM 470 CB CYS B 64 8.913 -6.260 -5.049 1.00 11.86 C ATOM 471 SG CYS B 64 8.457 -4.517 -5.104 1.00 13.40 S ATOM 472 H CYS B 64 6.809 -6.045 -2.945 1.00 0.00 H ATOM 473 N GLY B 65 10.697 -6.754 -2.623 1.00 11.94 N ATOM 474 CA GLY B 65 11.601 -6.440 -1.527 1.00 13.07 C ATOM 475 C GLY B 65 11.968 -7.690 -0.750 1.00 13.54 C ATOM 476 O GLY B 65 11.618 -8.809 -1.139 1.00 16.91 O ATOM 477 H GLY B 65 11.078 -7.232 -3.465 1.00 0.00 H ATOM 478 N HIS B 66 12.672 -7.503 0.362 1.00 14.39 N ATOM 479 CA HIS B 66 13.085 -8.638 1.179 1.00 15.70 C ATOM 480 C HIS B 66 11.916 -9.327 1.865 1.00 13.97 C ATOM 481 O HIS B 66 11.948 -10.544 2.086 1.00 17.66 O ATOM 482 CB HIS B 66 14.104 -8.223 2.232 1.00 17.48 C ATOM 483 CG HIS B 66 14.590 -9.372 3.051 1.00 24.16 C ATOM 484 ND1 HIS B 66 15.327 -10.404 2.512 1.00 30.47 N ATOM 485 CD2 HIS B 66 14.395 -9.687 4.353 1.00 29.33 C ATOM 486 CE1 HIS B 66 15.592 -11.292 3.453 1.00 35.50 C ATOM 487 NE2 HIS B 66 15.034 -10.883 4.580 1.00 34.88 N ATOM 488 H HIS B 66 12.931 -6.538 0.652 1.00 0.00 H ATOM 489 N LEU B 67 10.907 -8.547 2.237 1.00 14.11 N ATOM 490 CA LEU B 67 9.740 -9.057 2.930 1.00 13.59 C ATOM 491 C LEU B 67 8.474 -8.675 2.178 1.00 13.08 C ATOM 492 O LEU B 67 8.424 -7.650 1.496 1.00 15.93 O ATOM 493 CB LEU B 67 9.681 -8.489 4.343 1.00 14.71 C ATOM 494 CG LEU B 67 10.799 -8.921 5.287 1.00 14.64 C ATOM 495 CD1 LEU B 67 10.695 -8.140 6.588 1.00 16.33 C ATOM 496 CD2 LEU B 67 10.744 -10.421 5.538 1.00 15.98 C ATOM 497 H LEU B 67 10.956 -7.531 2.023 1.00 0.00 H ATOM 498 N GLY B 68 7.456 -9.513 2.308 1.00 12.61 N ATOM 499 CA GLY B 68 6.172 -9.289 1.679 1.00 12.54 C ATOM 500 C GLY B 68 5.063 -9.571 2.662 1.00 12.57 C ATOM 501 O GLY B 68 5.129 -10.530 3.436 1.00 13.44 O ATOM 502 H GLY B 68 7.585 -10.368 2.886 1.00 0.00 H ATOM 503 N TRP B 69 4.044 -8.725 2.636 1.00 12.92 N ATOM 504 CA TRP B 69 2.874 -8.890 3.471 1.00 13.70 C ATOM 505 C TRP B 69 2.010 -10.008 2.907 1.00 13.42 C ATOM 506 O TRP B 69 1.701 -10.020 1.714 1.00 14.18 O ATOM 507 CB TRP B 69 2.084 -7.585 3.502 1.00 14.81 C ATOM 508 CG TRP B 69 0.991 -7.580 4.508 1.00 17.93 C ATOM 509 CD1 TRP B 69 1.113 -7.327 5.842 1.00 24.15 C ATOM 510 CD2 TRP B 69 -0.396 -7.831 4.270 1.00 19.98 C ATOM 511 NE1 TRP B 69 -0.114 -7.408 6.451 1.00 27.52 N ATOM 512 CE2 TRP B 69 -1.058 -7.715 5.509 1.00 24.27 C ATOM 513 CE3 TRP B 69 -1.143 -8.155 3.135 1.00 21.50 C ATOM 514 CZ2 TRP B 69 -2.434 -7.902 5.645 1.00 28.51 C ATOM 515 CZ3 TRP B 69 -2.518 -8.344 3.271 1.00 24.64 C ATOM 516 CH2 TRP B 69 -3.145 -8.214 4.514 1.00 28.83 C ATOM 517 HE1 TRP B 69 -0.297 -7.260 7.464 1.00 0.00 H ATOM 518 H TRP B 69 4.087 -7.911 1.990 1.00 0.00 H ATOM 519 N THR B 70 1.618 -10.948 3.761 1.00 15.13 N ATOM 520 CA THR B 70 0.835 -12.093 3.307 1.00 17.75 C ATOM 521 C THR B 70 0.080 -12.756 4.442 1.00 20.97 C ATOM 522 O THR B 70 0.444 -12.632 5.606 1.00 21.81 O ATOM 523 CB THR B 70 1.736 -13.142 2.594 1.00 19.39 C ATOM 524 OG1 THR B 70 0.932 -14.207 2.061 1.00 21.64 O ATOM 525 CG2 THR B 70 2.787 -13.719 3.547 1.00 21.20 C ATOM 526 HG1 THR B 70 0.441 -14.649 2.798 1.00 0.00 H ATOM 527 H THR B 70 1.873 -10.867 4.766 1.00 0.00 H ATOM 528 N THR B 71 -0.999 -13.440 4.081 1.00 23.43 N ATOM 529 CA THR B 71 -1.663 -14.357 4.986 1.00 23.96 C ATOM 530 C THR B 71 -0.774 -15.590 5.118 1.00 23.10 C ATOM 531 O THR B 71 -0.047 -15.948 4.182 1.00 24.30 O ATOM 532 CB THR B 71 -3.050 -14.770 4.455 1.00 24.82 C ATOM 533 OG1 THR B 71 -2.915 -15.356 3.151 1.00 25.49 O ATOM 534 CG2 THR B 71 -3.978 -13.551 4.378 1.00 23.45 C ATOM 535 HG1 THR B 71 -3.808 -15.619 2.815 1.00 0.00 H ATOM 536 H THR B 71 -1.379 -13.314 3.121 1.00 0.00 H ATOM 537 N HIS B 72 -0.809 -16.203 6.295 1.00 22.97 N ATOM 538 CA HIS B 72 -0.110 -17.454 6.558 1.00 23.69 C ATOM 539 C HIS B 72 -0.710 -18.023 7.829 1.00 24.33 C ATOM 540 O HIS B 72 -0.829 -17.309 8.821 1.00 25.01 O ATOM 541 CB HIS B 72 1.392 -17.207 6.739 1.00 25.43 C ATOM 542 CG HIS B 72 2.178 -18.434 7.078 1.00 27.94 C ATOM 543 ND1 HIS B 72 2.248 -19.532 6.244 1.00 28.88 N ATOM 544 CD2 HIS B 72 2.955 -18.727 8.149 1.00 29.96 C ATOM 545 CE1 HIS B 72 3.020 -20.453 6.795 1.00 30.85 C ATOM 546 NE2 HIS B 72 3.466 -19.987 7.948 1.00 31.45 N ATOM 547 H HIS B 72 -1.360 -15.771 7.064 1.00 0.00 H ATOM 548 N ARG B 73 -1.128 -19.286 7.785 1.00 25.15 N ATOM 549 CA ARG B 73 -1.681 -19.968 8.966 1.00 25.83 C ATOM 550 C ARG B 73 -2.770 -19.159 9.703 1.00 27.65 C ATOM 551 O ARG B 73 -2.769 -19.083 10.939 1.00 30.82 O ATOM 552 CB ARG B 73 -0.553 -20.316 9.942 1.00 27.39 C ATOM 553 CG ARG B 73 0.530 -21.224 9.380 1.00 30.23 C ATOM 554 CD ARG B 73 1.652 -21.392 10.396 1.00 32.48 C ATOM 555 NE ARG B 73 2.690 -22.329 9.967 1.00 36.39 N ATOM 556 CZ ARG B 73 2.560 -23.654 9.967 1.00 35.80 C ATOM 557 NH1 ARG B 73 1.424 -24.231 10.351 1.00 36.34 N ATOM 558 NH2 ARG B 73 3.580 -24.407 9.562 1.00 44.00 N ATOM 559 HE ARG B 73 3.594 -21.932 9.639 1.00 0.00 H ATOM 560 HH12 ARG B 73 1.339 -25.268 10.345 1.00 0.00 H ATOM 561 HH11 ARG B 73 0.621 -23.645 10.657 1.00 0.00 H ATOM 562 HH22 ARG B 73 3.492 -25.443 9.557 1.00 0.00 H ATOM 563 HH21 ARG B 73 4.465 -23.959 9.250 1.00 0.00 H ATOM 564 H ARG B 73 -1.062 -19.807 6.888 1.00 0.00 H ATOM 565 N GLN B 74 -3.685 -18.551 8.944 1.00 26.86 N ATOM 566 CA GLN B 74 -4.853 -17.842 9.514 1.00 30.42 C ATOM 567 C GLN B 74 -4.485 -16.576 10.304 1.00 31.41 C ATOM 568 O GLN B 74 -5.234 -16.131 11.179 1.00 33.08 O ATOM 569 CB GLN B 74 -5.697 -18.775 10.394 1.00 33.61 C ATOM 570 CG GLN B 74 -5.933 -20.160 9.807 1.00 36.82 C ATOM 571 CD GLN B 74 -6.726 -21.046 10.743 1.00 43.11 C ATOM 572 OE1 GLN B 74 -7.809 -20.670 11.187 1.00 49.99 O ATOM 573 NE2 GLN B 74 -6.194 -22.229 11.052 1.00 38.71 N ATOM 574 HE22 GLN B 74 -5.275 -22.506 10.653 1.00 0.00 H ATOM 575 HE21 GLN B 74 -6.699 -22.875 11.692 1.00 0.00 H ATOM 576 H GLN B 74 -3.573 -18.577 7.910 1.00 0.00 H ATOM 577 N GLY B 75 -3.324 -16.016 9.991 1.00 29.43 N ATOM 578 CA GLY B 75 -2.926 -14.708 10.480 1.00 26.51 C ATOM 579 C GLY B 75 -2.296 -13.954 9.332 1.00 25.49 C ATOM 580 O GLY B 75 -2.235 -14.467 8.211 1.00 29.15 O ATOM 581 H GLY B 75 -2.672 -16.535 9.369 1.00 0.00 H ATOM 582 N TYR B 76 -1.855 -12.731 9.608 1.00 28.05 N ATOM 583 CA TYR B 76 -1.087 -11.940 8.654 1.00 25.69 C ATOM 584 C TYR B 76 0.330 -11.807 9.166 1.00 22.50 C ATOM 585 O TYR B 76 0.560 -11.772 10.378 1.00 25.23 O ATOM 586 CB TYR B 76 -1.643 -10.523 8.513 1.00 22.90 C ATOM 587 CG TYR B 76 -3.071 -10.421 8.025 1.00 28.95 C ATOM 588 CD1 TYR B 76 -3.397 -10.708 6.702 1.00 33.04 C ATOM 589 CD2 TYR B 76 -4.089 -9.988 8.875 1.00 34.11 C ATOM 590 CE1 TYR B 76 -4.699 -10.590 6.242 1.00 39.16 C ATOM 591 CE2 TYR B 76 -5.395 -9.864 8.426 1.00 40.42 C ATOM 592 CZ TYR B 76 -5.694 -10.165 7.108 1.00 43.88 C ATOM 593 OH TYR B 76 -6.987 -10.050 6.647 1.00 50.39 O ATOM 594 HH TYR B 76 -7.019 -10.303 5.690 1.00 0.00 H ATOM 595 H TYR B 76 -2.066 -12.322 10.541 1.00 0.00 H ATOM 596 N LEU B 77 1.280 -11.701 8.246 1.00 19.85 N ATOM 597 CA LEU B 77 2.657 -11.445 8.622 1.00 19.14 C ATOM 598 C LEU B 77 3.472 -11.020 7.420 1.00 16.26 C ATOM 599 O LEU B 77 3.007 -11.066 6.278 1.00 18.63 O ATOM 600 CB LEU B 77 3.287 -12.674 9.297 1.00 22.56 C ATOM 601 CG LEU B 77 3.137 -14.051 8.641 1.00 25.04 C ATOM 602 CD1 LEU B 77 3.797 -14.136 7.277 1.00 26.00 C ATOM 603 CD2 LEU B 77 3.724 -15.103 9.568 1.00 28.26 C ATOM 604 H LEU B 77 1.034 -11.803 7.241 1.00 0.00 H ATOM 605 N TYR B 78 4.694 -10.602 7.695 1.00 15.43 N ATOM 606 CA TYR B 78 5.677 -10.371 6.663 1.00 14.64 C ATOM 607 C TYR B 78 6.565 -11.598 6.570 1.00 15.31 C ATOM 608 O TYR B 78 7.045 -12.103 7.585 1.00 18.92 O ATOM 609 CB TYR B 78 6.516 -9.153 6.997 1.00 15.37 C ATOM 610 CG TYR B 78 5.772 -7.848 6.905 1.00 14.25 C ATOM 611 CD1 TYR B 78 5.659 -7.174 5.690 1.00 15.30 C ATOM 612 CD2 TYR B 78 5.206 -7.270 8.032 1.00 14.60 C ATOM 613 CE1 TYR B 78 5.002 -5.964 5.606 1.00 15.02 C ATOM 614 CE2 TYR B 78 4.542 -6.058 7.958 1.00 15.28 C ATOM 615 CZ TYR B 78 4.444 -5.409 6.745 1.00 14.95 C ATOM 616 OH TYR B 78 3.803 -4.195 6.670 1.00 16.39 O ATOM 617 HH TYR B 78 4.263 -3.543 7.257 1.00 0.00 H ATOM 618 H TYR B 78 4.957 -10.434 8.687 1.00 0.00 H ATOM 619 N SER B 79 6.767 -12.068 5.346 1.00 15.36 N ATOM 620 CA SER B 79 7.568 -13.259 5.083 1.00 15.89 C ATOM 621 C SER B 79 8.576 -12.983 3.984 1.00 14.72 C ATOM 622 O SER B 79 8.266 -12.277 3.042 1.00 14.71 O ATOM 623 CB SER B 79 6.658 -14.407 4.644 1.00 18.42 C ATOM 624 OG SER B 79 7.412 -15.558 4.305 1.00 22.38 O ATOM 625 HG SER B 79 6.798 -16.283 4.025 1.00 0.00 H ATOM 626 H SER B 79 6.337 -11.568 4.542 1.00 0.00 H ATOM 627 N PRO B 80 9.781 -13.564 4.083 1.00 15.85 N ATOM 628 CA PRO B 80 10.743 -13.456 2.994 1.00 17.25 C ATOM 629 C PRO B 80 10.378 -14.312 1.777 1.00 16.77 C ATOM 630 O PRO B 80 10.925 -14.103 0.697 1.00 20.04 O ATOM 631 CB PRO B 80 12.048 -13.931 3.637 1.00 18.58 C ATOM 632 CG PRO B 80 11.607 -14.865 4.707 1.00 20.09 C ATOM 633 CD PRO B 80 10.353 -14.257 5.250 1.00 17.70 C ATOM 634 N ILE B 81 9.450 -15.249 1.954 1.00 15.31 N ATOM 635 CA ILE B 81 9.073 -16.194 0.908 1.00 14.70 C ATOM 636 C ILE B 81 7.612 -15.994 0.518 1.00 14.39 C ATOM 637 O ILE B 81 6.740 -15.835 1.370 1.00 14.82 O ATOM 638 CB ILE B 81 9.302 -17.648 1.386 1.00 15.70 C ATOM 639 CG1 ILE B 81 10.792 -17.892 1.681 1.00 17.88 C ATOM 640 CG2 ILE B 81 8.764 -18.654 0.374 1.00 15.22 C ATOM 641 CD1 ILE B 81 11.713 -17.845 0.475 1.00 20.04 C ATOM 642 H ILE B 81 8.973 -15.310 2.876 1.00 0.00 H ATOM 643 N ASP B 82 7.357 -15.981 -0.783 1.00 14.22 N ATOM 644 CA ASP B 82 5.993 -15.922 -1.305 1.00 14.88 C ATOM 645 C ASP B 82 5.364 -17.319 -1.164 1.00 13.46 C ATOM 646 O ASP B 82 5.829 -18.266 -1.798 1.00 14.48 O ATOM 647 CB ASP B 82 6.047 -15.499 -2.773 1.00 14.19 C ATOM 648 CG ASP B 82 4.686 -15.454 -3.432 1.00 13.97 C ATOM 649 OD1 ASP B 82 3.694 -15.893 -2.820 1.00 15.42 O ATOM 650 OD2 ASP B 82 4.610 -14.971 -4.588 1.00 14.29 O ATOM 651 H ASP B 82 8.152 -16.014 -1.453 1.00 0.00 H ATOM 652 N PRO B 83 4.301 -17.452 -0.347 1.00 14.35 N ATOM 653 CA PRO B 83 3.725 -18.798 -0.165 1.00 14.28 C ATOM 654 C PRO B 83 3.108 -19.413 -1.429 1.00 14.23 C ATOM 655 O PRO B 83 2.893 -20.621 -1.483 1.00 17.69 O ATOM 656 CB PRO B 83 2.642 -18.590 0.902 1.00 15.87 C ATOM 657 CG PRO B 83 2.318 -17.141 0.858 1.00 18.67 C ATOM 658 CD PRO B 83 3.560 -16.424 0.413 1.00 15.15 C ATOM 659 N GLN B 84 2.815 -18.600 -2.435 1.00 13.96 N ATOM 660 CA GLN B 84 2.263 -19.120 -3.681 1.00 15.29 C ATOM 661 C GLN B 84 3.321 -19.749 -4.577 1.00 16.32 C ATOM 662 O GLN B 84 3.048 -20.725 -5.276 1.00 21.04 O ATOM 663 CB GLN B 84 1.567 -18.019 -4.458 1.00 18.51 C ATOM 664 CG GLN B 84 0.852 -18.546 -5.684 1.00 22.71 C ATOM 665 CD GLN B 84 -0.191 -17.592 -6.204 1.00 30.38 C ATOM 666 OE1 GLN B 84 -0.124 -17.157 -7.353 1.00 37.04 O ATOM 667 NE2 GLN B 84 -1.168 -17.260 -5.365 1.00 33.50 N ATOM 668 HE22 GLN B 84 -1.183 -17.653 -4.402 1.00 0.00 H ATOM 669 HE21 GLN B 84 -1.917 -16.607 -5.672 1.00 0.00 H ATOM 670 H GLN B 84 2.981 -17.578 -2.334 1.00 0.00 H ATOM 671 N THR B 85 4.524 -19.184 -4.565 1.00 13.88 N ATOM 672 CA THR B 85 5.608 -19.687 -5.408 1.00 14.60 C ATOM 673 C THR B 85 6.647 -20.497 -4.652 1.00 13.74 C ATOM 674 O THR B 85 7.447 -21.201 -5.272 1.00 14.88 O ATOM 675 CB THR B 85 6.370 -18.527 -6.071 1.00 14.96 C ATOM 676 OG1 THR B 85 7.006 -17.738 -5.055 1.00 14.10 O ATOM 677 CG2 THR B 85 5.431 -17.666 -6.912 1.00 15.31 C ATOM 678 HG1 THR B 85 7.497 -16.990 -5.479 1.00 0.00 H ATOM 679 H THR B 85 4.698 -18.368 -3.944 1.00 0.00 H ATOM 680 N ASN B 86 6.671 -20.356 -3.328 1.00 14.30 N ATOM 681 CA ASN B 86 7.733 -20.903 -2.486 1.00 14.18 C ATOM 682 C ASN B 86 9.134 -20.359 -2.805 1.00 12.57 C ATOM 683 O ASN B 86 10.147 -20.937 -2.416 1.00 12.74 O ATOM 684 CB ASN B 86 7.694 -22.436 -2.499 1.00 14.55 C ATOM 685 CG ASN B 86 6.392 -22.974 -1.952 1.00 16.54 C ATOM 686 OD1 ASN B 86 5.612 -23.613 -2.662 1.00 21.20 O ATOM 687 ND2 ASN B 86 6.137 -22.687 -0.690 1.00 16.89 N ATOM 688 HD22 ASN B 86 6.826 -22.145 -0.131 1.00 0.00 H ATOM 689 HD21 ASN B 86 5.247 -23.003 -0.255 1.00 0.00 H ATOM 690 H ASN B 86 5.897 -19.832 -2.872 1.00 0.00 H ATOM 691 N LYS B 87 9.168 -19.194 -3.447 1.00 13.38 N ATOM 692 CA LYS B 87 10.404 -18.495 -3.768 1.00 13.88 C ATOM 693 C LYS B 87 10.387 -17.125 -3.098 1.00 13.08 C ATOM 694 O LYS B 87 9.318 -16.617 -2.735 1.00 13.38 O ATOM 695 CB LYS B 87 10.543 -18.312 -5.288 1.00 14.82 C ATOM 696 CG LYS B 87 10.619 -19.617 -6.065 1.00 16.91 C ATOM 697 CD LYS B 87 10.454 -19.407 -7.559 1.00 21.20 C ATOM 698 CE LYS B 87 11.651 -18.692 -8.155 1.00 25.76 C ATOM 699 NZ LYS B 87 11.658 -18.809 -9.635 1.00 31.43 N ATOM 700 HZ1 LYS B 87 11.702 -19.813 -9.902 1.00 0.00 H ATOM 701 HZ2 LYS B 87 10.790 -18.384 -10.019 1.00 0.00 H ATOM 702 HZ3 LYS B 87 12.487 -18.311 -10.017 1.00 0.00 H ATOM 703 H LYS B 87 8.267 -18.761 -3.734 1.00 0.00 H ATOM 704 N PRO B 88 11.565 -16.499 -2.960 1.00 12.52 N ATOM 705 CA PRO B 88 11.573 -15.127 -2.453 1.00 13.31 C ATOM 706 C PRO B 88 10.681 -14.217 -3.282 1.00 12.96 C ATOM 707 O PRO B 88 10.489 -14.450 -4.470 1.00 12.95 O ATOM 708 CB PRO B 88 13.047 -14.717 -2.581 1.00 14.08 C ATOM 709 CG PRO B 88 13.792 -16.014 -2.495 1.00 14.88 C ATOM 710 CD PRO B 88 12.928 -17.003 -3.211 1.00 14.10 C ATOM 711 N TRP B 89 10.117 -13.196 -2.648 1.00 12.35 N ATOM 712 CA TRP B 89 9.481 -12.125 -3.412 1.00 12.73 C ATOM 713 C TRP B 89 10.538 -11.519 -4.342 1.00 13.18 C ATOM 714 O TRP B 89 11.734 -11.566 -4.044 1.00 14.45 O ATOM 715 CB TRP B 89 8.915 -11.049 -2.493 1.00 13.28 C ATOM 716 CG TRP B 89 7.957 -11.575 -1.473 1.00 12.36 C ATOM 717 CD1 TRP B 89 8.234 -11.861 -0.170 1.00 13.31 C ATOM 718 CD2 TRP B 89 6.558 -11.869 -1.659 1.00 12.48 C ATOM 719 NE1 TRP B 89 7.112 -12.325 0.460 1.00 13.55 N ATOM 720 CE2 TRP B 89 6.068 -12.345 -0.426 1.00 13.06 C ATOM 721 CE3 TRP B 89 5.679 -11.792 -2.746 1.00 13.07 C ATOM 722 CZ2 TRP B 89 4.723 -12.714 -0.236 1.00 12.92 C ATOM 723 CZ3 TRP B 89 4.342 -12.177 -2.559 1.00 12.47 C ATOM 724 CH2 TRP B 89 3.882 -12.631 -1.310 1.00 12.58 C ATOM 725 HE1 TRP B 89 7.060 -12.617 1.457 1.00 0.00 H ATOM 726 H TRP B 89 10.128 -13.158 -1.609 1.00 0.00 H ATOM 727 N PRO B 90 10.113 -10.967 -5.489 1.00 13.35 N ATOM 728 CA PRO B 90 11.086 -10.310 -6.352 1.00 13.06 C ATOM 729 C PRO B 90 11.782 -9.161 -5.646 1.00 12.79 C ATOM 730 O PRO B 90 11.203 -8.539 -4.744 1.00 13.05 O ATOM 731 CB PRO B 90 10.228 -9.779 -7.501 1.00 14.14 C ATOM 732 CG PRO B 90 9.073 -10.709 -7.544 1.00 15.58 C ATOM 733 CD PRO B 90 8.775 -10.979 -6.102 1.00 14.40 C ATOM 734 N ALA B 91 13.014 -8.879 -6.056 1.00 14.45 N ATOM 735 CA ALA B 91 13.776 -7.787 -5.475 1.00 14.55 C ATOM 736 C ALA B 91 13.083 -6.463 -5.760 1.00 13.60 C ATOM 737 O ALA B 91 12.344 -6.334 -6.735 1.00 14.38 O ATOM 738 CB ALA B 91 15.196 -7.765 -6.020 1.00 16.68 C ATOM 739 H ALA B 91 13.443 -9.453 -6.810 1.00 0.00 H ATOM 740 N MET B 92 13.301 -5.493 -4.881 1.00 13.21 N ATOM 741 CA MET B 92 12.769 -4.146 -5.044 1.00 13.20 C ATOM 742 C MET B 92 13.307 -3.523 -6.332 1.00 12.99 C ATOM 743 O MET B 92 14.517 -3.369 -6.452 1.00 15.05 O ATOM 744 CB MET B 92 13.225 -3.294 -3.851 1.00 14.15 C ATOM 745 CG MET B 92 12.589 -1.920 -3.773 1.00 13.60 C ATOM 746 SD MET B 92 10.872 -2.073 -3.279 1.00 14.36 S ATOM 747 CE MET B 92 11.067 -2.288 -1.511 1.00 13.56 C ATOM 748 H MET B 92 13.876 -5.703 -4.040 1.00 0.00 H ATOM 749 N PRO B 93 12.429 -3.149 -7.291 1.00 12.23 N ATOM 750 CA PRO B 93 12.928 -2.446 -8.486 1.00 11.74 C ATOM 751 C PRO B 93 13.617 -1.112 -8.163 1.00 11.23 C ATOM 752 O PRO B 93 13.255 -0.438 -7.182 1.00 11.49 O ATOM 753 CB PRO B 93 11.662 -2.199 -9.311 1.00 12.47 C ATOM 754 CG PRO B 93 10.685 -3.227 -8.850 1.00 13.25 C ATOM 755 CD PRO B 93 10.984 -3.436 -7.392 1.00 13.10 C ATOM 756 N GLN B 94 14.608 -0.745 -8.973 1.00 11.66 N ATOM 757 CA GLN B 94 15.256 0.560 -8.831 1.00 12.34 C ATOM 758 C GLN B 94 14.240 1.705 -8.837 1.00 11.65 C ATOM 759 O GLN B 94 14.323 2.620 -8.015 1.00 11.38 O ATOM 760 CB GLN B 94 16.281 0.823 -9.940 1.00 13.92 C ATOM 761 CG GLN B 94 16.849 2.249 -9.882 1.00 16.08 C ATOM 762 CD GLN B 94 17.688 2.612 -11.079 1.00 16.83 C ATOM 763 OE1 GLN B 94 17.460 3.630 -11.748 1.00 21.82 O ATOM 764 NE2 GLN B 94 18.655 1.786 -11.362 1.00 16.18 N ATOM 765 HE22 GLN B 94 18.809 0.944 -10.772 1.00 0.00 H ATOM 766 HE21 GLN B 94 19.273 1.969 -12.178 1.00 0.00 H ATOM 767 H GLN B 94 14.927 -1.396 -9.719 1.00 0.00 H ATOM 768 N SER B 95 13.293 1.668 -9.775 1.00 11.68 N ATOM 769 CA SER B 95 12.321 2.760 -9.905 1.00 11.21 C ATOM 770 C SER B 95 11.561 2.938 -8.584 1.00 10.27 C ATOM 771 O SER B 95 11.302 4.054 -8.153 1.00 10.87 O ATOM 772 CB SER B 95 11.336 2.482 -11.038 1.00 12.80 C ATOM 773 OG SER B 95 10.559 1.325 -10.767 1.00 12.18 O ATOM 774 HG SER B 95 9.930 1.168 -11.516 1.00 0.00 H ATOM 775 H SER B 95 13.243 0.856 -10.422 1.00 0.00 H ATOM 776 N PHE B 96 11.208 1.815 -7.956 1.00 10.26 N ATOM 777 CA PHE B 96 10.486 1.820 -6.676 1.00 9.97 C ATOM 778 C PHE B 96 11.371 2.422 -5.584 1.00 10.37 C ATOM 779 O PHE B 96 10.970 3.335 -4.864 1.00 11.00 O ATOM 780 CB PHE B 96 10.123 0.389 -6.257 1.00 9.92 C ATOM 781 CG PHE B 96 8.907 -0.207 -6.932 1.00 10.22 C ATOM 782 CD1 PHE B 96 8.610 -0.010 -8.280 1.00 10.72 C ATOM 783 CD2 PHE B 96 8.097 -1.085 -6.208 1.00 10.20 C ATOM 784 CE1 PHE B 96 7.495 -0.610 -8.849 1.00 10.87 C ATOM 785 CE2 PHE B 96 6.996 -1.695 -6.785 1.00 11.11 C ATOM 786 CZ PHE B 96 6.702 -1.466 -8.114 1.00 11.22 C ATOM 787 H PHE B 96 11.453 0.902 -8.389 1.00 0.00 H ATOM 788 N HIS B 97 12.578 1.873 -5.452 1.00 10.93 N ATOM 789 CA HIS B 97 13.520 2.301 -4.427 1.00 12.25 C ATOM 790 C HIS B 97 13.792 3.799 -4.492 1.00 11.59 C ATOM 791 O HIS B 97 13.744 4.492 -3.478 1.00 11.79 O ATOM 792 CB HIS B 97 14.846 1.538 -4.554 1.00 13.69 C ATOM 793 CG HIS B 97 15.925 2.076 -3.669 1.00 15.55 C ATOM 794 ND1 HIS B 97 16.096 1.665 -2.367 1.00 19.31 N ATOM 795 CD2 HIS B 97 16.858 3.030 -3.887 1.00 15.70 C ATOM 796 CE1 HIS B 97 17.105 2.327 -1.827 1.00 19.18 C ATOM 797 NE2 HIS B 97 17.577 3.169 -2.727 1.00 18.24 N ATOM 798 H HIS B 97 12.857 1.112 -6.104 1.00 0.00 H ATOM 799 N ASN B 98 14.080 4.279 -5.695 1.00 11.72 N ATOM 800 CA ASN B 98 14.482 5.657 -5.898 1.00 12.46 C ATOM 801 C ASN B 98 13.320 6.623 -5.671 1.00 11.47 C ATOM 802 O ASN B 98 13.489 7.653 -5.013 1.00 12.83 O ATOM 803 CB ASN B 98 15.091 5.838 -7.297 1.00 14.00 C ATOM 804 CG ASN B 98 16.477 5.207 -7.437 1.00 19.63 C ATOM 805 OD1 ASN B 98 17.005 4.602 -6.511 1.00 22.72 O ATOM 806 ND2 ASN B 98 17.062 5.344 -8.621 1.00 26.28 N ATOM 807 HD22 ASN B 98 16.581 5.865 -9.382 1.00 0.00 H ATOM 808 HD21 ASN B 98 18.001 4.930 -8.788 1.00 0.00 H ATOM 809 H ASN B 98 14.015 3.647 -6.518 1.00 0.00 H ATOM 810 N LEU B 99 12.137 6.274 -6.183 1.00 10.63 N ATOM 811 CA LEU B 99 10.944 7.107 -5.990 1.00 11.51 C ATOM 812 C LEU B 99 10.633 7.227 -4.497 1.00 10.91 C ATOM 813 O LEU B 99 10.423 8.317 -3.969 1.00 11.59 O ATOM 814 CB LEU B 99 9.754 6.524 -6.763 1.00 13.29 C ATOM 815 CG LEU B 99 8.426 7.298 -6.805 1.00 16.94 C ATOM 816 CD1 LEU B 99 7.636 7.176 -5.517 1.00 20.14 C ATOM 817 CD2 LEU B 99 8.620 8.759 -7.189 1.00 17.51 C ATOM 818 H LEU B 99 12.059 5.393 -6.730 1.00 0.00 H ATOM 819 N CYS B 100 10.623 6.094 -3.809 1.00 10.12 N ATOM 820 CA CYS B 100 10.326 6.090 -2.379 1.00 10.64 C ATOM 821 C CYS B 100 11.310 6.957 -1.617 1.00 10.72 C ATOM 822 O CYS B 100 10.911 7.747 -0.757 1.00 11.38 O ATOM 823 CB CYS B 100 10.352 4.664 -1.822 1.00 10.43 C ATOM 824 SG CYS B 100 9.913 4.537 -0.079 1.00 12.75 S ATOM 825 H CYS B 100 10.829 5.197 -4.293 1.00 0.00 H ATOM 826 N GLN B 101 12.598 6.808 -1.913 1.00 11.55 N ATOM 827 CA GLN B 101 13.601 7.585 -1.197 1.00 12.60 C ATOM 828 C GLN B 101 13.467 9.087 -1.439 1.00 12.20 C ATOM 829 O GLN B 101 13.631 9.881 -0.512 1.00 13.07 O ATOM 830 CB GLN B 101 14.996 7.113 -1.555 1.00 15.71 C ATOM 831 CG GLN B 101 16.067 7.567 -0.583 1.00 20.40 C ATOM 832 CD GLN B 101 17.325 6.759 -0.765 1.00 24.30 C ATOM 833 OE1 GLN B 101 17.769 6.049 0.148 1.00 28.23 O ATOM 834 NE2 GLN B 101 17.880 6.816 -1.968 1.00 22.52 N ATOM 835 HE22 GLN B 101 17.469 7.428 -2.702 1.00 0.00 H ATOM 836 HE21 GLN B 101 18.726 6.249 -2.178 1.00 0.00 H ATOM 837 H GLN B 101 12.888 6.138 -2.654 1.00 0.00 H ATOM 838 N ARG B 102 13.154 9.477 -2.669 1.00 12.10 N ATOM 839 CA ARG B 102 12.963 10.895 -2.971 1.00 12.36 C ATOM 840 C ARG B 102 11.782 11.443 -2.178 1.00 11.39 C ATOM 841 O ARG B 102 11.863 12.529 -1.606 1.00 11.89 O ATOM 842 CB ARG B 102 12.748 11.126 -4.473 1.00 13.35 C ATOM 843 CG ARG B 102 14.003 10.928 -5.304 1.00 17.16 C ATOM 844 CD ARG B 102 13.864 11.487 -6.712 1.00 23.76 C ATOM 845 NE ARG B 102 12.695 10.982 -7.432 1.00 30.48 N ATOM 846 CZ ARG B 102 11.641 11.710 -7.822 1.00 37.29 C ATOM 847 NH1 ARG B 102 11.558 13.021 -7.585 1.00 37.62 N ATOM 848 NH2 ARG B 102 10.651 11.115 -8.477 1.00 45.51 N ATOM 849 HE ARG B 102 12.681 9.968 -7.661 1.00 0.00 H ATOM 850 HH12 ARG B 102 10.724 13.555 -7.903 1.00 0.00 H ATOM 851 HH11 ARG B 102 12.327 13.508 -7.083 1.00 0.00 H ATOM 852 HH22 ARG B 102 9.826 11.668 -8.786 1.00 0.00 H ATOM 853 HH21 ARG B 102 10.701 10.096 -8.681 1.00 0.00 H ATOM 854 H ARG B 102 13.044 8.769 -3.423 1.00 0.00 H ATOM 855 N ALA B 103 10.683 10.693 -2.155 1.00 10.80 N ATOM 856 CA ALA B 103 9.492 11.135 -1.451 1.00 11.45 C ATOM 857 C ALA B 103 9.742 11.217 0.052 1.00 11.34 C ATOM 858 O ALA B 103 9.419 12.217 0.690 1.00 11.25 O ATOM 859 CB ALA B 103 8.331 10.205 -1.740 1.00 11.61 C ATOM 860 H ALA B 103 10.677 9.777 -2.648 1.00 0.00 H ATOM 861 N ALA B 104 10.306 10.157 0.620 1.00 10.59 N ATOM 862 CA ALA B 104 10.565 10.125 2.062 1.00 11.39 C ATOM 863 C ALA B 104 11.514 11.244 2.475 1.00 11.19 C ATOM 864 O ALA B 104 11.300 11.915 3.484 1.00 11.97 O ATOM 865 CB ALA B 104 11.117 8.769 2.471 1.00 11.79 C ATOM 866 H ALA B 104 10.567 9.339 0.034 1.00 0.00 H ATOM 867 N THR B 105 12.558 11.458 1.687 1.00 12.44 N ATOM 868 CA THR B 105 13.509 12.523 1.975 1.00 12.91 C ATOM 869 C THR B 105 12.846 13.903 1.927 1.00 12.80 C ATOM 870 O THR B 105 13.046 14.716 2.829 1.00 14.33 O ATOM 871 CB THR B 105 14.709 12.448 1.013 1.00 13.66 C ATOM 872 OG1 THR B 105 15.366 11.192 1.205 1.00 13.89 O ATOM 873 CG2 THR B 105 15.705 13.556 1.271 1.00 15.33 C ATOM 874 HG1 THR B 105 14.732 10.456 1.013 1.00 0.00 H ATOM 875 H THR B 105 12.700 10.857 0.851 1.00 0.00 H ATOM 876 N ALA B 106 12.046 14.157 0.898 1.00 13.32 N ATOM 877 CA ALA B 106 11.310 15.422 0.792 1.00 15.25 C ATOM 878 C ALA B 106 10.418 15.665 2.015 1.00 15.30 C ATOM 879 O ALA B 106 10.281 16.802 2.476 1.00 16.91 O ATOM 880 CB ALA B 106 10.475 15.433 -0.473 1.00 16.23 C ATOM 881 H ALA B 106 11.939 13.443 0.150 1.00 0.00 H ATOM 882 N ALA B 107 9.817 14.595 2.523 1.00 14.21 N ATOM 883 CA ALA B 107 8.904 14.656 3.666 1.00 15.46 C ATOM 884 C ALA B 107 9.581 14.649 5.044 1.00 15.00 C ATOM 885 O ALA B 107 8.890 14.673 6.060 1.00 18.48 O ATOM 886 CB ALA B 107 7.913 13.504 3.589 1.00 15.13 C ATOM 887 H ALA B 107 10.004 13.669 2.088 1.00 0.00 H ATOM 888 N GLY B 108 10.909 14.578 5.090 1.00 13.62 N ATOM 889 CA GLY B 108 11.647 14.662 6.352 1.00 14.68 C ATOM 890 C GLY B 108 12.039 13.341 6.982 1.00 14.09 C ATOM 891 O GLY B 108 12.362 13.300 8.178 1.00 15.82 O ATOM 892 H GLY B 108 11.439 14.459 4.203 1.00 0.00 H ATOM 893 N TYR B 109 12.049 12.275 6.176 1.00 13.14 N ATOM 894 CA TYR B 109 12.430 10.933 6.622 1.00 12.66 C ATOM 895 C TYR B 109 13.584 10.408 5.765 1.00 12.55 C ATOM 896 O TYR B 109 13.427 9.432 5.029 1.00 13.76 O ATOM 897 CB TYR B 109 11.221 9.998 6.550 1.00 13.35 C ATOM 898 CG TYR B 109 10.157 10.379 7.534 1.00 13.43 C ATOM 899 CD1 TYR B 109 10.247 9.980 8.863 1.00 14.77 C ATOM 900 CD2 TYR B 109 9.074 11.163 7.157 1.00 13.90 C ATOM 901 CE1 TYR B 109 9.283 10.343 9.786 1.00 16.50 C ATOM 902 CE2 TYR B 109 8.100 11.532 8.082 1.00 15.41 C ATOM 903 CZ TYR B 109 8.212 11.111 9.390 1.00 15.33 C ATOM 904 OH TYR B 109 7.272 11.471 10.318 1.00 19.41 O ATOM 905 HH TYR B 109 7.242 12.458 10.390 1.00 0.00 H ATOM 906 H TYR B 109 11.772 12.405 5.182 1.00 0.00 H ATOM 907 N PRO B 110 14.762 11.056 5.864 1.00 13.51 N ATOM 908 CA PRO B 110 15.849 10.707 4.955 1.00 13.38 C ATOM 909 C PRO B 110 16.462 9.332 5.185 1.00 13.47 C ATOM 910 O PRO B 110 17.159 8.829 4.298 1.00 15.13 O ATOM 911 CB PRO B 110 16.890 11.796 5.220 1.00 14.52 C ATOM 912 CG PRO B 110 16.659 12.165 6.648 1.00 15.75 C ATOM 913 CD PRO B 110 15.160 12.128 6.797 1.00 15.05 C ATOM 914 N ASP B 111 16.218 8.734 6.347 1.00 13.52 N ATOM 915 CA ASP B 111 16.782 7.421 6.682 1.00 14.55 C ATOM 916 C ASP B 111 15.826 6.268 6.438 1.00 13.71 C ATOM 917 O ASP B 111 16.172 5.120 6.702 1.00 16.80 O ATOM 918 CB ASP B 111 17.197 7.375 8.152 1.00 16.68 C ATOM 919 CG ASP B 111 18.206 8.424 8.511 1.00 18.15 C ATOM 920 OD1 ASP B 111 19.038 8.796 7.654 1.00 19.23 O ATOM 921 OD2 ASP B 111 18.174 8.865 9.676 1.00 23.40 O ATOM 922 H ASP B 111 15.608 9.212 7.041 1.00 0.00 H ATOM 923 N PHE B 112 14.631 6.559 5.933 1.00 12.59 N ATOM 924 CA PHE B 112 13.641 5.518 5.675 1.00 13.71 C ATOM 925 C PHE B 112 14.197 4.515 4.681 1.00 14.08 C ATOM 926 O PHE B 112 14.616 4.891 3.589 1.00 16.17 O ATOM 927 CB PHE B 112 12.349 6.131 5.147 1.00 12.79 C ATOM 928 CG PHE B 112 11.249 5.132 4.914 1.00 11.42 C ATOM 929 CD1 PHE B 112 10.853 4.251 5.919 1.00 11.43 C ATOM 930 CD2 PHE B 112 10.594 5.081 3.691 1.00 12.00 C ATOM 931 CE1 PHE B 112 9.827 3.349 5.703 1.00 12.52 C ATOM 932 CE2 PHE B 112 9.580 4.168 3.468 1.00 11.80 C ATOM 933 CZ PHE B 112 9.191 3.303 4.475 1.00 11.02 C ATOM 934 H PHE B 112 14.397 7.549 5.717 1.00 0.00 H ATOM 935 N GLN B 113 14.223 3.247 5.086 1.00 15.78 N ATOM 936 CA GLN B 113 14.808 2.184 4.282 1.00 16.96 C ATOM 937 C GLN B 113 13.826 1.027 4.243 1.00 15.85 C ATOM 938 O GLN B 113 13.956 0.068 4.996 1.00 17.89 O ATOM 939 CB GLN B 113 16.163 1.764 4.860 1.00 20.75 C ATOM 940 CG GLN B 113 17.262 2.791 4.617 1.00 26.29 C ATOM 941 CD GLN B 113 18.451 2.653 5.556 1.00 39.48 C ATOM 942 OE1 GLN B 113 19.064 3.652 5.954 1.00 46.58 O ATOM 943 NE2 GLN B 113 18.797 1.418 5.906 1.00 48.46 N ATOM 944 HE22 GLN B 113 18.255 0.605 5.549 1.00 0.00 H ATOM 945 HE21 GLN B 113 19.610 1.265 6.537 1.00 0.00 H ATOM 946 H GLN B 113 13.810 3.007 6.010 1.00 0.00 H ATOM 947 N PRO B 114 12.821 1.120 3.359 1.00 14.66 N ATOM 948 CA PRO B 114 11.829 0.064 3.328 1.00 13.90 C ATOM 949 C PRO B 114 12.438 -1.239 2.848 1.00 13.80 C ATOM 950 O PRO B 114 13.343 -1.231 2.009 1.00 16.30 O ATOM 951 CB PRO B 114 10.785 0.579 2.336 1.00 14.25 C ATOM 952 CG PRO B 114 11.535 1.503 1.459 1.00 15.48 C ATOM 953 CD PRO B 114 12.587 2.134 2.317 1.00 15.30 C ATOM 954 N ASP B 115 11.956 -2.336 3.415 1.00 13.06 N ATOM 955 CA ASP B 115 12.358 -3.674 3.008 1.00 14.35 C ATOM 956 C ASP B 115 11.175 -4.480 2.468 1.00 13.37 C ATOM 957 O ASP B 115 11.305 -5.671 2.199 1.00 14.82 O ATOM 958 CB ASP B 115 13.032 -4.393 4.177 1.00 16.12 C ATOM 959 CG ASP B 115 12.202 -4.375 5.438 1.00 15.59 C ATOM 960 OD1 ASP B 115 10.998 -4.071 5.370 1.00 15.74 O ATOM 961 OD2 ASP B 115 12.757 -4.684 6.511 1.00 22.87 O ATOM 962 H ASP B 115 11.262 -2.236 4.183 1.00 0.00 H ATOM 963 N ALA B 116 10.033 -3.814 2.295 1.00 12.53 N ATOM 964 CA ALA B 116 8.812 -4.426 1.791 1.00 12.07 C ATOM 965 C ALA B 116 8.046 -3.398 0.986 1.00 11.66 C ATOM 966 O ALA B 116 7.938 -2.239 1.390 1.00 13.73 O ATOM 967 CB ALA B 116 7.952 -4.891 2.943 1.00 12.87 C ATOM 968 H ALA B 116 10.013 -2.802 2.533 1.00 0.00 H ATOM 969 N CYS B 117 7.505 -3.822 -0.144 1.00 10.82 N ATOM 970 CA CYS B 117 6.568 -2.995 -0.878 1.00 10.43 C ATOM 971 C CYS B 117 5.378 -3.851 -1.241 1.00 9.51 C ATOM 972 O CYS B 117 5.512 -4.794 -2.018 1.00 11.99 O ATOM 973 CB CYS B 117 7.200 -2.408 -2.136 1.00 11.57 C ATOM 974 SG CYS B 117 6.053 -1.341 -3.042 1.00 13.40 S ATOM 975 H CYS B 117 7.756 -4.762 -0.511 1.00 0.00 H ATOM 976 N LEU B 118 4.225 -3.528 -0.665 1.00 9.82 N ATOM 977 CA LEU B 118 2.976 -4.208 -0.986 1.00 9.95 C ATOM 978 C LEU B 118 2.371 -3.529 -2.197 1.00 9.07 C ATOM 979 O LEU B 118 2.224 -2.311 -2.212 1.00 11.41 O ATOM 980 CB LEU B 118 2.012 -4.138 0.199 1.00 11.40 C ATOM 981 CG LEU B 118 0.617 -4.732 0.018 1.00 13.29 C ATOM 982 CD1 LEU B 118 0.652 -6.217 -0.309 1.00 14.15 C ATOM 983 CD2 LEU B 118 -0.196 -4.484 1.283 1.00 15.41 C ATOM 984 H LEU B 118 4.213 -2.763 0.040 1.00 0.00 H ATOM 985 N ILE B 119 2.034 -4.318 -3.210 1.00 9.31 N ATOM 986 CA ILE B 119 1.437 -3.813 -4.441 1.00 8.96 C ATOM 987 C ILE B 119 -0.018 -4.268 -4.476 1.00 9.15 C ATOM 988 O ILE B 119 -0.294 -5.469 -4.570 1.00 9.94 O ATOM 989 CB ILE B 119 2.172 -4.334 -5.696 1.00 10.21 C ATOM 990 CG1 ILE B 119 3.682 -4.080 -5.589 1.00 10.68 C ATOM 991 CG2 ILE B 119 1.581 -3.682 -6.937 1.00 11.61 C ATOM 992 CD1 ILE B 119 4.489 -4.624 -6.751 1.00 12.12 C ATOM 993 H ILE B 119 2.203 -5.340 -3.122 1.00 0.00 H ATOM 994 N ASN B 120 -0.936 -3.310 -4.368 1.00 9.64 N ATOM 995 CA ASN B 120 -2.379 -3.562 -4.371 1.00 9.94 C ATOM 996 C ASN B 120 -2.946 -3.211 -5.736 1.00 9.55 C ATOM 997 O ASN B 120 -2.628 -2.148 -6.268 1.00 11.57 O ATOM 998 CB ASN B 120 -3.096 -2.691 -3.317 1.00 11.57 C ATOM 999 CG ASN B 120 -2.874 -3.138 -1.877 1.00 13.29 C ATOM 1000 OD1 ASN B 120 -3.185 -2.391 -0.922 1.00 17.40 O ATOM 1001 ND2 ASN B 120 -2.359 -4.329 -1.692 1.00 12.01 N ATOM 1002 HD22 ASN B 120 -2.113 -4.922 -2.510 1.00 0.00 H ATOM 1003 HD21 ASN B 120 -2.197 -4.681 -0.727 1.00 0.00 H ATOM 1004 H ASN B 120 -0.610 -2.327 -4.276 1.00 0.00 H ATOM 1005 N ARG B 121 -3.782 -4.083 -6.292 1.00 9.26 N ATOM 1006 CA ARG B 121 -4.454 -3.838 -7.561 1.00 9.15 C ATOM 1007 C ARG B 121 -5.956 -3.843 -7.343 1.00 8.96 C ATOM 1008 O ARG B 121 -6.505 -4.804 -6.796 1.00 9.89 O ATOM 1009 CB ARG B 121 -4.082 -4.896 -8.603 1.00 9.69 C ATOM 1010 CG ARG B 121 -4.709 -4.673 -9.971 1.00 11.32 C ATOM 1011 CD ARG B 121 -4.368 -5.784 -10.947 1.00 12.61 C ATOM 1012 NE ARG B 121 -5.042 -7.032 -10.611 1.00 13.23 N ATOM 1013 CZ ARG B 121 -4.741 -8.223 -11.130 1.00 13.98 C ATOM 1014 NH1 ARG B 121 -3.747 -8.353 -12.001 1.00 15.04 N ATOM 1015 NH2 ARG B 121 -5.433 -9.300 -10.764 1.00 15.78 N ATOM 1016 HE ARG B 121 -5.814 -6.991 -9.916 1.00 0.00 H ATOM 1017 HH12 ARG B 121 -3.523 -9.288 -12.398 1.00 0.00 H ATOM 1018 HH11 ARG B 121 -3.193 -7.520 -12.286 1.00 0.00 H ATOM 1019 HH22 ARG B 121 -5.200 -10.230 -11.168 1.00 0.00 H ATOM 1020 HH21 ARG B 121 -6.207 -9.212 -10.075 1.00 0.00 H ATOM 1021 H ARG B 121 -3.964 -4.980 -5.799 1.00 0.00 H ATOM 1022 N TYR B 122 -6.605 -2.770 -7.782 1.00 9.09 N ATOM 1023 CA TYR B 122 -8.045 -2.596 -7.673 1.00 9.22 C ATOM 1024 C TYR B 122 -8.696 -2.671 -9.046 1.00 10.01 C ATOM 1025 O TYR B 122 -8.451 -1.823 -9.902 1.00 10.41 O ATOM 1026 CB TYR B 122 -8.380 -1.228 -7.062 1.00 8.99 C ATOM 1027 CG TYR B 122 -7.930 -1.060 -5.642 1.00 9.57 C ATOM 1028 CD1 TYR B 122 -6.594 -0.822 -5.337 1.00 9.78 C ATOM 1029 CD2 TYR B 122 -8.837 -1.144 -4.592 1.00 11.94 C ATOM 1030 CE1 TYR B 122 -6.170 -0.684 -4.027 1.00 9.68 C ATOM 1031 CE2 TYR B 122 -8.421 -0.986 -3.281 1.00 11.95 C ATOM 1032 CZ TYR B 122 -7.091 -0.780 -3.004 1.00 10.65 C ATOM 1033 OH TYR B 122 -6.675 -0.646 -1.706 1.00 13.08 O ATOM 1034 HH TYR B 122 -5.695 -0.505 -1.688 1.00 0.00 H ATOM 1035 H TYR B 122 -6.052 -2.011 -8.229 1.00 0.00 H ATOM 1036 N ALA B 123 -9.549 -3.666 -9.228 1.00 11.04 N ATOM 1037 CA ALA B 123 -10.493 -3.706 -10.325 1.00 12.68 C ATOM 1038 C ALA B 123 -11.716 -2.880 -9.920 1.00 12.71 C ATOM 1039 O ALA B 123 -11.908 -2.579 -8.744 1.00 11.74 O ATOM 1040 CB ALA B 123 -10.905 -5.143 -10.600 1.00 13.91 C ATOM 1041 H ALA B 123 -9.541 -4.456 -8.552 1.00 0.00 H ATOM 1042 N PRO B 124 -12.554 -2.494 -10.891 1.00 15.18 N ATOM 1043 CA PRO B 124 -13.776 -1.794 -10.522 1.00 15.41 C ATOM 1044 C PRO B 124 -14.550 -2.534 -9.434 1.00 15.57 C ATOM 1045 O PRO B 124 -14.698 -3.760 -9.488 1.00 16.77 O ATOM 1046 CB PRO B 124 -14.555 -1.754 -11.839 1.00 17.16 C ATOM 1047 CG PRO B 124 -13.474 -1.687 -12.854 1.00 20.38 C ATOM 1048 CD PRO B 124 -12.443 -2.651 -12.350 1.00 17.47 C ATOM 1049 N GLY B 125 -14.986 -1.790 -8.424 1.00 14.85 N ATOM 1050 CA GLY B 125 -15.738 -2.354 -7.312 1.00 14.41 C ATOM 1051 C GLY B 125 -14.906 -2.837 -6.140 1.00 13.52 C ATOM 1052 O GLY B 125 -15.430 -3.056 -5.053 1.00 15.89 O ATOM 1053 H GLY B 125 -14.783 -0.770 -8.427 1.00 0.00 H ATOM 1054 N ALA B 126 -13.610 -3.020 -6.348 1.00 11.81 N ATOM 1055 CA ALA B 126 -12.740 -3.493 -5.277 1.00 11.94 C ATOM 1056 C ALA B 126 -12.579 -2.407 -4.207 1.00 10.95 C ATOM 1057 O ALA B 126 -12.609 -1.200 -4.495 1.00 12.22 O ATOM 1058 CB ALA B 126 -11.384 -3.907 -5.831 1.00 12.53 C ATOM 1059 H ALA B 126 -13.208 -2.824 -7.287 1.00 0.00 H ATOM 1060 N LYS B 127 -12.402 -2.844 -2.973 1.00 12.18 N ATOM 1061 CA LYS B 127 -12.316 -1.945 -1.829 1.00 11.87 C ATOM 1062 C LYS B 127 -11.379 -2.545 -0.805 1.00 12.93 C ATOM 1063 O LYS B 127 -11.076 -3.736 -0.855 1.00 15.96 O ATOM 1064 CB LYS B 127 -13.694 -1.751 -1.194 1.00 13.51 C ATOM 1065 CG LYS B 127 -14.293 -3.005 -0.586 1.00 16.90 C ATOM 1066 CD LYS B 127 -15.619 -2.691 0.084 1.00 21.82 C ATOM 1067 CE LYS B 127 -16.026 -3.753 1.092 1.00 28.15 C ATOM 1068 NZ LYS B 127 -16.418 -5.032 0.435 1.00 37.51 N ATOM 1069 HZ1 LYS B 127 -17.225 -4.862 -0.199 1.00 0.00 H ATOM 1070 HZ2 LYS B 127 -15.615 -5.398 -0.115 1.00 0.00 H ATOM 1071 HZ3 LYS B 127 -16.687 -5.725 1.162 1.00 0.00 H ATOM 1072 H LYS B 127 -12.321 -3.868 -2.812 1.00 0.00 H ATOM 1073 N LEU B 128 -10.963 -1.721 0.142 1.00 12.38 N ATOM 1074 CA LEU B 128 -10.117 -2.161 1.238 1.00 13.43 C ATOM 1075 C LEU B 128 -10.771 -1.689 2.520 1.00 13.28 C ATOM 1076 O LEU B 128 -10.925 -0.488 2.740 1.00 13.72 O ATOM 1077 CB LEU B 128 -8.717 -1.569 1.071 1.00 14.68 C ATOM 1078 CG LEU B 128 -7.615 -2.101 1.980 1.00 16.32 C ATOM 1079 CD1 LEU B 128 -7.365 -3.577 1.730 1.00 19.96 C ATOM 1080 CD2 LEU B 128 -6.350 -1.293 1.752 1.00 17.86 C ATOM 1081 H LEU B 128 -11.252 -0.723 0.101 1.00 0.00 H ATOM 1082 N SER B 129 -11.190 -2.633 3.353 1.00 14.79 N ATOM 1083 CA SER B 129 -11.918 -2.300 4.571 1.00 15.04 C ATOM 1084 C SER B 129 -11.016 -1.573 5.563 1.00 14.65 C ATOM 1085 O SER B 129 -9.798 -1.763 5.570 1.00 15.68 O ATOM 1086 CB SER B 129 -12.494 -3.561 5.216 1.00 17.55 C ATOM 1087 OG SER B 129 -11.463 -4.461 5.566 1.00 21.51 O ATOM 1088 HG SER B 129 -10.961 -4.719 4.752 1.00 0.00 H ATOM 1089 H SER B 129 -10.995 -3.630 3.132 1.00 0.00 H ATOM 1090 N LEU B 130 -11.631 -0.744 6.394 1.00 15.12 N ATOM 1091 CA LEU B 130 -10.917 0.080 7.358 1.00 14.61 C ATOM 1092 C LEU B 130 -10.068 -0.784 8.293 1.00 14.11 C ATOM 1093 O LEU B 130 -10.544 -1.792 8.837 1.00 17.39 O ATOM 1094 CB LEU B 130 -11.915 0.904 8.176 1.00 16.59 C ATOM 1095 CG LEU B 130 -11.345 2.124 8.882 1.00 18.59 C ATOM 1096 CD1 LEU B 130 -11.171 3.273 7.907 1.00 18.21 C ATOM 1097 CD2 LEU B 130 -12.259 2.543 10.019 1.00 20.76 C ATOM 1098 H LEU B 130 -12.668 -0.679 6.356 1.00 0.00 H ATOM 1099 N HIS B 131 -8.812 -0.392 8.463 1.00 13.21 N ATOM 1100 CA HIS B 131 -7.873 -1.138 9.291 1.00 15.59 C ATOM 1101 C HIS B 131 -6.670 -0.277 9.642 1.00 13.63 C ATOM 1102 O HIS B 131 -6.494 0.812 9.089 1.00 13.56 O ATOM 1103 CB HIS B 131 -7.393 -2.399 8.568 1.00 14.77 C ATOM 1104 CG HIS B 131 -6.546 -2.118 7.368 1.00 15.48 C ATOM 1105 ND1 HIS B 131 -7.071 -1.640 6.190 1.00 16.14 N ATOM 1106 CD2 HIS B 131 -5.210 -2.209 7.175 1.00 17.01 C ATOM 1107 CE1 HIS B 131 -6.097 -1.473 5.312 1.00 17.18 C ATOM 1108 NE2 HIS B 131 -4.959 -1.809 5.886 1.00 16.94 N ATOM 1109 H HIS B 131 -8.487 0.475 7.990 1.00 0.00 H ATOM 1110 N GLN B 132 -5.862 -0.774 10.577 1.00 15.02 N ATOM 1111 CA GLN B 132 -4.571 -0.190 10.917 1.00 16.05 C ATOM 1112 C GLN B 132 -3.453 -1.132 10.523 1.00 16.61 C ATOM 1113 O GLN B 132 -3.638 -2.350 10.456 1.00 18.63 O ATOM 1114 CB GLN B 132 -4.439 0.003 12.420 1.00 17.33 C ATOM 1115 CG GLN B 132 -5.222 1.124 13.037 1.00 19.00 C ATOM 1116 CD GLN B 132 -5.009 1.139 14.542 1.00 20.46 C ATOM 1117 OE1 GLN B 132 -5.326 0.162 15.222 1.00 22.55 O ATOM 1118 NE2 GLN B 132 -4.453 2.225 15.062 1.00 26.31 N ATOM 1119 HE22 GLN B 132 -4.202 3.026 14.448 1.00 0.00 H ATOM 1120 HE21 GLN B 132 -4.268 2.276 16.084 1.00 0.00 H ATOM 1121 H GLN B 132 -6.169 -1.624 11.092 1.00 0.00 H ATOM 1122 N ASP B 133 -2.279 -0.559 10.302 1.00 15.99 N ATOM 1123 CA ASP B 133 -1.061 -1.339 10.168 1.00 15.93 C ATOM 1124 C ASP B 133 -0.204 -1.054 11.381 1.00 15.53 C ATOM 1125 O ASP B 133 0.427 -0.019 11.477 1.00 15.44 O ATOM 1126 CB ASP B 133 -0.331 -0.991 8.880 1.00 17.59 C ATOM 1127 CG ASP B 133 -1.032 -1.545 7.658 1.00 19.50 C ATOM 1128 OD1 ASP B 133 -2.105 -1.019 7.320 1.00 20.20 O ATOM 1129 OD2 ASP B 133 -0.512 -2.504 7.034 1.00 21.71 O ATOM 1130 H ASP B 133 -2.228 0.477 10.222 1.00 0.00 H ATOM 1131 N LYS B 134 -0.214 -1.969 12.337 1.00 17.46 N ATOM 1132 CA LYS B 134 0.498 -1.740 13.590 1.00 18.85 C ATOM 1133 C LYS B 134 1.316 -2.944 14.042 1.00 20.23 C ATOM 1134 O LYS B 134 1.697 -3.025 15.214 1.00 24.86 O ATOM 1135 CB LYS B 134 -0.491 -1.313 14.678 1.00 23.41 C ATOM 1136 CG LYS B 134 -1.637 -2.279 14.900 1.00 27.57 C ATOM 1137 CD LYS B 134 -2.447 -1.907 16.134 1.00 32.88 C ATOM 1138 CE LYS B 134 -3.855 -2.473 16.059 1.00 39.60 C ATOM 1139 NZ LYS B 134 -3.913 -3.955 15.896 1.00 45.53 N ATOM 1140 HZ1 LYS B 134 -3.429 -4.225 15.016 1.00 0.00 H ATOM 1141 HZ2 LYS B 134 -3.444 -4.410 16.705 1.00 0.00 H ATOM 1142 HZ3 LYS B 134 -4.907 -4.259 15.854 1.00 0.00 H ATOM 1143 H LYS B 134 -0.734 -2.859 12.194 1.00 0.00 H ATOM 1144 N ASP B 135 1.596 -3.868 13.124 1.00 21.04 N ATOM 1145 CA ASP B 135 2.360 -5.080 13.459 1.00 24.30 C ATOM 1146 C ASP B 135 3.839 -4.974 13.097 1.00 22.73 C ATOM 1147 O ASP B 135 4.617 -5.883 13.393 1.00 26.46 O ATOM 1148 CB ASP B 135 1.768 -6.306 12.759 1.00 28.30 C ATOM 1149 CG ASP B 135 0.377 -6.656 13.253 1.00 36.16 C ATOM 1150 OD1 ASP B 135 -0.040 -6.170 14.328 1.00 37.43 O ATOM 1151 OD2 ASP B 135 -0.299 -7.440 12.557 1.00 48.53 O ATOM 1152 H ASP B 135 1.267 -3.729 12.147 1.00 0.00 H ATOM 1153 N GLU B 136 4.231 -3.878 12.459 1.00 19.92 N ATOM 1154 CA GLU B 136 5.631 -3.664 12.109 1.00 19.65 C ATOM 1155 C GLU B 136 6.423 -3.394 13.392 1.00 19.36 C ATOM 1156 O GLU B 136 5.925 -2.715 14.283 1.00 19.83 O ATOM 1157 CB GLU B 136 5.779 -2.490 11.141 1.00 18.26 C ATOM 1158 CG GLU B 136 5.141 -2.704 9.768 1.00 18.56 C ATOM 1159 CD GLU B 136 3.619 -2.626 9.769 1.00 16.67 C ATOM 1160 OE1 GLU B 136 2.996 -3.204 8.854 1.00 18.41 O ATOM 1161 OE2 GLU B 136 3.037 -1.983 10.674 1.00 15.38 O ATOM 1162 H GLU B 136 3.526 -3.157 12.204 1.00 0.00 H ATOM 1163 N PRO B 137 7.651 -3.939 13.502 1.00 19.51 N ATOM 1164 CA PRO B 137 8.458 -3.714 14.713 1.00 21.52 C ATOM 1165 C PRO B 137 8.696 -2.253 15.084 1.00 18.51 C ATOM 1166 O PRO B 137 8.694 -1.908 16.272 1.00 21.53 O ATOM 1167 CB PRO B 137 9.794 -4.381 14.371 1.00 22.35 C ATOM 1168 CG PRO B 137 9.444 -5.445 13.402 1.00 23.91 C ATOM 1169 CD PRO B 137 8.275 -4.931 12.605 1.00 21.65 C ATOM 1170 N ASP B 138 8.897 -1.399 14.084 1.00 19.11 N ATOM 1171 CA ASP B 138 9.202 0.004 14.330 1.00 18.74 C ATOM 1172 C ASP B 138 8.121 0.909 13.752 1.00 15.38 C ATOM 1173 O ASP B 138 8.161 1.283 12.579 1.00 16.09 O ATOM 1174 CB ASP B 138 10.575 0.371 13.763 1.00 24.63 C ATOM 1175 CG ASP B 138 11.031 1.759 14.189 1.00 27.09 C ATOM 1176 OD1 ASP B 138 10.240 2.480 14.841 1.00 24.14 O ATOM 1177 OD2 ASP B 138 12.187 2.122 13.874 1.00 33.60 O ATOM 1178 H ASP B 138 8.835 -1.741 13.104 1.00 0.00 H ATOM 1179 N LEU B 139 7.185 1.305 14.609 1.00 15.42 N ATOM 1180 CA LEU B 139 6.059 2.129 14.183 1.00 14.02 C ATOM 1181 C LEU B 139 6.435 3.612 14.030 1.00 13.29 C ATOM 1182 O LEU B 139 5.567 4.420 13.700 1.00 14.38 O ATOM 1183 CB LEU B 139 4.869 1.949 15.134 1.00 15.22 C ATOM 1184 CG LEU B 139 4.370 0.505 15.267 1.00 15.51 C ATOM 1185 CD1 LEU B 139 3.253 0.399 16.289 1.00 17.25 C ATOM 1186 CD2 LEU B 139 3.909 -0.036 13.922 1.00 16.79 C ATOM 1187 H LEU B 139 7.257 1.021 15.607 1.00 0.00 H ATOM 1188 N ARG B 140 7.708 3.958 14.269 1.00 13.92 N ATOM 1189 CA ARG B 140 8.210 5.304 13.980 1.00 16.24 C ATOM 1190 C ARG B 140 8.558 5.475 12.508 1.00 14.26 C ATOM 1191 O ARG B 140 8.692 6.599 12.033 1.00 14.56 O ATOM 1192 CB ARG B 140 9.447 5.626 14.816 1.00 17.01 C ATOM 1193 CG ARG B 140 9.153 5.837 16.286 1.00 19.42 C ATOM 1194 CD ARG B 140 10.419 6.206 17.039 1.00 22.46 C ATOM 1195 NE ARG B 140 10.988 5.076 17.765 1.00 25.49 N ATOM 1196 CZ ARG B 140 11.863 4.217 17.254 1.00 26.85 C ATOM 1197 NH1 ARG B 140 12.268 4.350 16.005 1.00 25.79 N ATOM 1198 NH2 ARG B 140 12.343 3.227 17.994 1.00 30.87 N ATOM 1199 HE ARG B 140 10.688 4.933 18.750 1.00 0.00 H ATOM 1200 HH12 ARG B 140 12.953 3.677 15.606 1.00 0.00 H ATOM 1201 HH11 ARG B 140 11.902 5.128 15.420 1.00 0.00 H ATOM 1202 HH22 ARG B 140 13.028 2.558 17.587 1.00 0.00 H ATOM 1203 HH21 ARG B 140 12.035 3.119 18.981 1.00 0.00 H ATOM 1204 H ARG B 140 8.357 3.252 14.671 1.00 0.00 H ATOM 1205 N ALA B 141 8.730 4.364 11.797 1.00 12.91 N ATOM 1206 CA ALA B 141 9.039 4.415 10.368 1.00 12.35 C ATOM 1207 C ALA B 141 7.755 4.723 9.600 1.00 11.08 C ATOM 1208 O ALA B 141 6.734 4.087 9.833 1.00 11.51 O ATOM 1209 CB ALA B 141 9.631 3.093 9.912 1.00 12.91 C ATOM 1210 H ALA B 141 8.643 3.440 12.267 1.00 0.00 H ATOM 1211 N PRO B 142 7.798 5.696 8.670 1.00 10.95 N ATOM 1212 CA PRO B 142 6.593 6.053 7.931 1.00 10.03 C ATOM 1213 C PRO B 142 6.203 4.973 6.931 1.00 10.34 C ATOM 1214 O PRO B 142 6.984 4.048 6.673 1.00 10.81 O ATOM 1215 CB PRO B 142 7.021 7.311 7.173 1.00 10.67 C ATOM 1216 CG PRO B 142 8.473 7.075 6.899 1.00 11.30 C ATOM 1217 CD PRO B 142 8.976 6.426 8.166 1.00 11.55 C ATOM 1218 N ILE B 143 5.024 5.117 6.342 1.00 9.83 N ATOM 1219 CA ILE B 143 4.668 4.350 5.158 1.00 9.83 C ATOM 1220 C ILE B 143 4.568 5.326 4.009 1.00 9.20 C ATOM 1221 O ILE B 143 3.992 6.393 4.162 1.00 10.56 O ATOM 1222 CB ILE B 143 3.364 3.550 5.369 1.00 11.83 C ATOM 1223 CG1 ILE B 143 3.674 2.363 6.296 1.00 14.03 C ATOM 1224 CG2 ILE B 143 2.778 3.058 4.049 1.00 11.42 C ATOM 1225 CD1 ILE B 143 2.481 1.561 6.758 1.00 16.96 C ATOM 1226 H ILE B 143 4.338 5.793 6.735 1.00 0.00 H ATOM 1227 N VAL B 144 5.147 4.953 2.866 1.00 8.61 N ATOM 1228 CA VAL B 144 5.047 5.773 1.657 1.00 8.79 C ATOM 1229 C VAL B 144 4.098 5.075 0.697 1.00 8.56 C ATOM 1230 O VAL B 144 4.311 3.916 0.343 1.00 9.32 O ATOM 1231 CB VAL B 144 6.422 5.994 0.999 1.00 9.11 C ATOM 1232 CG1 VAL B 144 6.287 6.750 -0.326 1.00 9.86 C ATOM 1233 CG2 VAL B 144 7.359 6.724 1.951 1.00 9.93 C ATOM 1234 H VAL B 144 5.681 4.061 2.833 1.00 0.00 H ATOM 1235 N SER B 145 3.053 5.799 0.291 1.00 8.33 N ATOM 1236 CA SER B 145 1.948 5.268 -0.496 1.00 9.05 C ATOM 1237 C SER B 145 1.910 5.959 -1.853 1.00 8.97 C ATOM 1238 O SER B 145 1.880 7.175 -1.913 1.00 10.94 O ATOM 1239 CB SER B 145 0.645 5.517 0.250 1.00 11.77 C ATOM 1240 OG SER B 145 -0.459 5.004 -0.452 1.00 16.61 O ATOM 1241 HG SER B 145 -1.287 5.183 0.061 1.00 0.00 H ATOM 1242 H SER B 145 3.026 6.805 0.553 1.00 0.00 H ATOM 1243 N VAL B 146 1.938 5.177 -2.930 1.00 8.38 N ATOM 1244 CA VAL B 146 2.002 5.695 -4.299 1.00 8.80 C ATOM 1245 C VAL B 146 0.800 5.180 -5.088 1.00 8.16 C ATOM 1246 O VAL B 146 0.607 3.972 -5.206 1.00 9.48 O ATOM 1247 CB VAL B 146 3.281 5.211 -5.006 1.00 9.37 C ATOM 1248 CG1 VAL B 146 3.406 5.822 -6.399 1.00 9.80 C ATOM 1249 CG2 VAL B 146 4.516 5.528 -4.176 1.00 10.04 C ATOM 1250 H VAL B 146 1.913 4.146 -2.793 1.00 0.00 H ATOM 1251 N SER B 147 0.025 6.097 -5.655 1.00 7.95 N ATOM 1252 CA SER B 147 -1.180 5.765 -6.396 1.00 8.50 C ATOM 1253 C SER B 147 -0.933 5.859 -7.888 1.00 7.74 C ATOM 1254 O SER B 147 -0.303 6.801 -8.342 1.00 9.07 O ATOM 1255 CB SER B 147 -2.307 6.716 -6.011 1.00 9.98 C ATOM 1256 OG SER B 147 -2.668 6.527 -4.656 1.00 12.97 O ATOM 1257 HG SER B 147 -1.883 6.704 -4.079 1.00 0.00 H ATOM 1258 H SER B 147 0.292 7.098 -5.565 1.00 0.00 H ATOM 1259 N LEU B 148 -1.458 4.895 -8.632 1.00 8.33 N ATOM 1260 CA LEU B 148 -1.294 4.816 -10.084 1.00 8.81 C ATOM 1261 C LEU B 148 -2.606 4.360 -10.716 1.00 8.39 C ATOM 1262 O LEU B 148 -3.272 3.470 -10.206 1.00 9.57 O ATOM 1263 CB LEU B 148 -0.188 3.815 -10.445 1.00 9.16 C ATOM 1264 CG LEU B 148 1.201 4.099 -9.871 1.00 10.32 C ATOM 1265 CD1 LEU B 148 2.103 2.876 -9.917 1.00 11.85 C ATOM 1266 CD2 LEU B 148 1.834 5.261 -10.618 1.00 11.37 C ATOM 1267 H LEU B 148 -2.016 4.156 -8.158 1.00 0.00 H ATOM 1268 N GLY B 149 -2.983 4.992 -11.817 1.00 9.00 N ATOM 1269 CA GLY B 149 -4.139 4.590 -12.587 1.00 9.40 C ATOM 1270 C GLY B 149 -5.395 5.331 -12.158 1.00 9.48 C ATOM 1271 O GLY B 149 -5.370 6.539 -11.924 1.00 9.99 O ATOM 1272 H GLY B 149 -2.426 5.809 -12.140 1.00 0.00 H ATOM 1273 N LEU B 150 -6.499 4.595 -12.058 1.00 9.35 N ATOM 1274 CA LEU B 150 -7.795 5.185 -11.760 1.00 9.89 C ATOM 1275 C LEU B 150 -7.828 5.785 -10.363 1.00 9.51 C ATOM 1276 O LEU B 150 -7.162 5.277 -9.453 1.00 8.89 O ATOM 1277 CB LEU B 150 -8.894 4.125 -11.887 1.00 10.97 C ATOM 1278 CG LEU B 150 -9.208 3.585 -13.282 1.00 12.97 C ATOM 1279 CD1 LEU B 150 -10.178 2.422 -13.169 1.00 14.83 C ATOM 1280 CD2 LEU B 150 -9.777 4.678 -14.157 1.00 15.65 C ATOM 1281 H LEU B 150 -6.433 3.566 -12.197 1.00 0.00 H ATOM 1282 N PRO B 151 -8.603 6.861 -10.186 1.00 9.67 N ATOM 1283 CA PRO B 151 -8.676 7.520 -8.886 1.00 9.41 C ATOM 1284 C PRO B 151 -9.484 6.725 -7.871 1.00 9.82 C ATOM 1285 O PRO B 151 -10.404 6.000 -8.247 1.00 10.81 O ATOM 1286 CB PRO B 151 -9.379 8.839 -9.210 1.00 11.29 C ATOM 1287 CG PRO B 151 -10.213 8.530 -10.386 1.00 11.34 C ATOM 1288 CD PRO B 151 -9.415 7.555 -11.200 1.00 10.48 C ATOM 1289 N ALA B 152 -9.140 6.889 -6.596 1.00 9.24 N ATOM 1290 CA ALA B 152 -9.838 6.204 -5.516 1.00 8.63 C ATOM 1291 C ALA B 152 -10.068 7.159 -4.355 1.00 9.08 C ATOM 1292 O ALA B 152 -9.276 8.084 -4.138 1.00 10.29 O ATOM 1293 CB ALA B 152 -9.050 4.999 -5.042 1.00 11.19 C ATOM 1294 H ALA B 152 -8.350 7.524 -6.364 1.00 0.00 H ATOM 1295 N ILE B 153 -11.146 6.913 -3.614 1.00 9.46 N ATOM 1296 CA ILE B 153 -11.428 7.652 -2.389 1.00 9.84 C ATOM 1297 C ILE B 153 -10.797 6.911 -1.228 1.00 9.26 C ATOM 1298 O ILE B 153 -11.184 5.779 -0.896 1.00 10.08 O ATOM 1299 CB ILE B 153 -12.938 7.834 -2.156 1.00 10.77 C ATOM 1300 CG1 ILE B 153 -13.574 8.581 -3.338 1.00 11.91 C ATOM 1301 CG2 ILE B 153 -13.173 8.583 -0.856 1.00 11.99 C ATOM 1302 CD1 ILE B 153 -15.090 8.565 -3.309 1.00 13.61 C ATOM 1303 H ILE B 153 -11.808 6.171 -3.918 1.00 0.00 H ATOM 1304 N PHE B 154 -9.792 7.554 -0.644 1.00 10.32 N ATOM 1305 CA PHE B 154 -9.088 7.062 0.525 1.00 10.32 C ATOM 1306 C PHE B 154 -9.759 7.621 1.771 1.00 10.48 C ATOM 1307 O PHE B 154 -9.958 8.831 1.900 1.00 13.27 O ATOM 1308 CB PHE B 154 -7.628 7.505 0.440 1.00 12.16 C ATOM 1309 CG PHE B 154 -6.757 7.053 1.586 1.00 13.37 C ATOM 1310 CD1 PHE B 154 -6.295 5.752 1.651 1.00 14.31 C ATOM 1311 CD2 PHE B 154 -6.364 7.947 2.574 1.00 15.69 C ATOM 1312 CE1 PHE B 154 -5.465 5.345 2.685 1.00 16.10 C ATOM 1313 CE2 PHE B 154 -5.539 7.547 3.607 1.00 17.89 C ATOM 1314 CZ PHE B 154 -5.089 6.245 3.657 1.00 16.47 C ATOM 1315 H PHE B 154 -9.492 8.464 -1.049 1.00 0.00 H ATOM 1316 N GLN B 155 -10.120 6.736 2.691 1.00 10.84 N ATOM 1317 CA GLN B 155 -10.728 7.181 3.930 1.00 12.41 C ATOM 1318 C GLN B 155 -9.735 6.953 5.047 1.00 12.68 C ATOM 1319 O GLN B 155 -9.014 5.950 5.055 1.00 14.64 O ATOM 1320 CB GLN B 155 -12.080 6.499 4.184 1.00 18.28 C ATOM 1321 CG GLN B 155 -12.123 4.998 4.032 1.00 20.78 C ATOM 1322 CD GLN B 155 -13.425 4.382 4.523 1.00 22.84 C ATOM 1323 OE1 GLN B 155 -13.409 3.459 5.332 1.00 30.56 O ATOM 1324 NE2 GLN B 155 -14.556 4.886 4.040 1.00 19.97 N ATOM 1325 HE22 GLN B 155 -14.526 5.669 3.356 1.00 0.00 H ATOM 1326 HE21 GLN B 155 -15.471 4.498 4.346 1.00 0.00 H ATOM 1327 H GLN B 155 -9.967 5.721 2.523 1.00 0.00 H ATOM 1328 N PHE B 156 -9.679 7.906 5.975 1.00 12.94 N ATOM 1329 CA PHE B 156 -8.797 7.779 7.119 1.00 14.00 C ATOM 1330 C PHE B 156 -9.410 8.446 8.323 1.00 14.77 C ATOM 1331 O PHE B 156 -10.062 9.483 8.211 1.00 16.16 O ATOM 1332 CB PHE B 156 -7.400 8.345 6.826 1.00 16.38 C ATOM 1333 CG PHE B 156 -7.386 9.805 6.510 1.00 17.98 C ATOM 1334 CD1 PHE B 156 -7.682 10.251 5.230 1.00 20.91 C ATOM 1335 CD2 PHE B 156 -7.082 10.740 7.488 1.00 20.96 C ATOM 1336 CE1 PHE B 156 -7.681 11.600 4.935 1.00 22.20 C ATOM 1337 CE2 PHE B 156 -7.070 12.093 7.192 1.00 22.24 C ATOM 1338 CZ PHE B 156 -7.366 12.519 5.916 1.00 22.74 C ATOM 1339 H PHE B 156 -10.275 8.752 5.878 1.00 0.00 H ATOM 1340 N GLY B 157 -9.195 7.835 9.477 1.00 15.22 N ATOM 1341 CA GLY B 157 -9.697 8.375 10.722 1.00 15.23 C ATOM 1342 C GLY B 157 -8.544 8.727 11.629 1.00 17.47 C ATOM 1343 O GLY B 157 -7.699 9.556 11.291 1.00 22.85 O ATOM 1344 H GLY B 157 -8.653 6.947 9.489 1.00 0.00 H ATOM 1345 N GLY B 158 -8.515 8.089 12.785 1.00 16.28 N ATOM 1346 CA GLY B 158 -7.517 8.358 13.793 1.00 16.52 C ATOM 1347 C GLY B 158 -7.002 7.067 14.394 1.00 17.78 C ATOM 1348 O GLY B 158 -7.061 6.001 13.770 1.00 16.94 O ATOM 1349 H GLY B 158 -9.238 7.366 12.976 1.00 0.00 H ATOM 1350 N LEU B 159 -6.499 7.175 15.619 1.00 19.15 N ATOM 1351 CA LEU B 159 -5.893 6.049 16.324 1.00 20.08 C ATOM 1352 C LEU B 159 -6.922 5.060 16.856 1.00 20.41 C ATOM 1353 O LEU B 159 -6.579 3.912 17.147 1.00 21.38 O ATOM 1354 CB LEU B 159 -5.045 6.562 17.488 1.00 22.19 C ATOM 1355 CG LEU B 159 -3.914 7.528 17.127 1.00 26.93 C ATOM 1356 CD1 LEU B 159 -3.320 8.154 18.380 1.00 31.05 C ATOM 1357 CD2 LEU B 159 -2.855 6.798 16.325 1.00 28.68 C ATOM 1358 H LEU B 159 -6.538 8.099 16.095 1.00 0.00 H ATOM 1359 N LYS B 160 -8.170 5.510 17.004 1.00 20.00 N ATOM 1360 CA LYS B 160 -9.262 4.649 17.447 1.00 22.23 C ATOM 1361 C LYS B 160 -10.224 4.392 16.296 1.00 19.81 C ATOM 1362 O LYS B 160 -10.464 5.277 15.471 1.00 19.59 O ATOM 1363 CB LYS B 160 -10.031 5.290 18.605 1.00 25.48 C ATOM 1364 CG LYS B 160 -9.180 5.645 19.815 1.00 28.46 C ATOM 1365 CD LYS B 160 -10.007 5.681 21.100 1.00 33.20 C ATOM 1366 CE LYS B 160 -11.240 6.573 20.998 1.00 38.78 C ATOM 1367 NZ LYS B 160 -10.916 7.994 20.686 1.00 40.09 N ATOM 1368 HZ1 LYS B 160 -10.309 8.383 21.436 1.00 0.00 H ATOM 1369 HZ2 LYS B 160 -10.417 8.043 19.775 1.00 0.00 H ATOM 1370 HZ3 LYS B 160 -11.796 8.545 20.631 1.00 0.00 H ATOM 1371 H LYS B 160 -8.371 6.509 16.796 1.00 0.00 H ATOM 1372 N ARG B 161 -10.786 3.186 16.270 1.00 21.96 N ATOM 1373 CA ARG B 161 -11.676 2.737 15.197 1.00 23.92 C ATOM 1374 C ARG B 161 -12.832 3.705 14.958 1.00 21.63 C ATOM 1375 O ARG B 161 -13.257 3.907 13.820 1.00 24.98 O ATOM 1376 CB ARG B 161 -12.221 1.345 15.540 1.00 27.29 C ATOM 1377 CG ARG B 161 -13.308 0.808 14.617 1.00 33.01 C ATOM 1378 CD ARG B 161 -12.742 0.061 13.427 1.00 38.73 C ATOM 1379 NE ARG B 161 -12.207 -1.246 13.812 1.00 44.31 N ATOM 1380 CZ ARG B 161 -11.748 -2.160 12.958 1.00 50.21 C ATOM 1381 NH1 ARG B 161 -11.754 -1.930 11.648 1.00 56.44 N ATOM 1382 NH2 ARG B 161 -11.278 -3.314 13.415 1.00 56.44 N ATOM 1383 HE ARG B 161 -12.183 -1.478 14.826 1.00 0.00 H ATOM 1384 HH12 ARG B 161 -11.393 -2.651 10.992 1.00 0.00 H ATOM 1385 HH11 ARG B 161 -12.120 -1.029 11.280 1.00 0.00 H ATOM 1386 HH22 ARG B 161 -10.919 -4.029 12.751 1.00 0.00 H ATOM 1387 HH21 ARG B 161 -11.269 -3.503 14.438 1.00 0.00 H ATOM 1388 H ARG B 161 -10.583 2.530 17.051 1.00 0.00 H ATOM 1389 N ASN B 162 -13.330 4.301 16.037 1.00 22.39 N ATOM 1390 CA ASN B 162 -14.487 5.189 15.977 1.00 23.90 C ATOM 1391 C ASN B 162 -14.167 6.678 15.777 1.00 22.60 C ATOM 1392 O ASN B 162 -15.077 7.513 15.803 1.00 24.35 O ATOM 1393 CB ASN B 162 -15.313 5.024 17.255 1.00 26.03 C ATOM 1394 CG ASN B 162 -14.496 5.288 18.516 1.00 31.21 C ATOM 1395 OD1 ASN B 162 -13.524 4.579 18.803 1.00 34.76 O ATOM 1396 ND2 ASN B 162 -14.876 6.313 19.268 1.00 35.67 N ATOM 1397 HD22 ASN B 162 -15.700 6.884 18.991 1.00 0.00 H ATOM 1398 HD21 ASN B 162 -14.350 6.545 20.135 1.00 0.00 H ATOM 1399 H ASN B 162 -12.879 4.128 16.958 1.00 0.00 H ATOM 1400 N ASP B 163 -12.893 7.026 15.589 1.00 20.58 N ATOM 1401 CA ASP B 163 -12.538 8.422 15.340 1.00 19.92 C ATOM 1402 C ASP B 163 -13.174 8.869 14.025 1.00 19.09 C ATOM 1403 O ASP B 163 -13.371 8.042 13.125 1.00 21.93 O ATOM 1404 CB ASP B 163 -11.019 8.629 15.310 1.00 20.50 C ATOM 1405 CG ASP B 163 -10.395 8.631 16.700 1.00 21.20 C ATOM 1406 OD1 ASP B 163 -11.074 9.014 17.684 1.00 25.86 O ATOM 1407 OD2 ASP B 163 -9.205 8.268 16.801 1.00 23.94 O ATOM 1408 H ASP B 163 -12.149 6.300 15.620 1.00 0.00 H ATOM 1409 N PRO B 164 -13.498 10.171 13.901 1.00 20.35 N ATOM 1410 CA PRO B 164 -14.180 10.627 12.686 1.00 19.88 C ATOM 1411 C PRO B 164 -13.389 10.372 11.406 1.00 18.96 C ATOM 1412 O PRO B 164 -12.187 10.632 11.353 1.00 19.88 O ATOM 1413 CB PRO B 164 -14.342 12.136 12.903 1.00 22.58 C ATOM 1414 CG PRO B 164 -14.224 12.337 14.370 1.00 25.22 C ATOM 1415 CD PRO B 164 -13.291 11.274 14.857 1.00 22.52 C ATOM 1416 N LEU B 165 -14.077 9.884 10.382 1.00 17.90 N ATOM 1417 CA LEU B 165 -13.445 9.630 9.102 1.00 16.04 C ATOM 1418 C LEU B 165 -13.382 10.882 8.241 1.00 15.20 C ATOM 1419 O LEU B 165 -14.329 11.685 8.193 1.00 16.63 O ATOM 1420 CB LEU B 165 -14.177 8.530 8.332 1.00 17.66 C ATOM 1421 CG LEU B 165 -14.150 7.138 8.966 1.00 19.82 C ATOM 1422 CD1 LEU B 165 -15.046 6.188 8.192 1.00 23.27 C ATOM 1423 CD2 LEU B 165 -12.734 6.590 9.057 1.00 21.00 C ATOM 1424 H LEU B 165 -15.090 9.680 10.500 1.00 0.00 H ATOM 1425 N LYS B 166 -12.255 11.010 7.545 1.00 14.40 N ATOM 1426 CA LYS B 166 -12.044 12.016 6.521 1.00 14.29 C ATOM 1427 C LYS B 166 -11.788 11.274 5.216 1.00 13.01 C ATOM 1428 O LYS B 166 -11.411 10.100 5.228 1.00 13.03 O ATOM 1429 CB LYS B 166 -10.847 12.894 6.879 1.00 17.72 C ATOM 1430 CG LYS B 166 -11.047 13.719 8.142 1.00 22.01 C ATOM 1431 CD LYS B 166 -9.873 14.653 8.384 1.00 29.47 C ATOM 1432 CE LYS B 166 -9.929 15.253 9.780 1.00 36.71 C ATOM 1433 NZ LYS B 166 -8.969 16.382 9.943 1.00 45.11 N ATOM 1434 HZ1 LYS B 166 -8.001 16.040 9.775 1.00 0.00 H ATOM 1435 HZ2 LYS B 166 -9.197 17.131 9.258 1.00 0.00 H ATOM 1436 HZ3 LYS B 166 -9.041 16.760 10.909 1.00 0.00 H ATOM 1437 H LYS B 166 -11.478 10.349 7.747 1.00 0.00 H ATOM 1438 N ARG B 167 -11.994 11.959 4.095 1.00 12.92 N ATOM 1439 CA ARG B 167 -11.872 11.351 2.777 1.00 13.49 C ATOM 1440 C ARG B 167 -11.064 12.247 1.875 1.00 13.58 C ATOM 1441 O ARG B 167 -11.198 13.473 1.924 1.00 16.21 O ATOM 1442 CB ARG B 167 -13.248 11.108 2.158 1.00 14.63 C ATOM 1443 CG ARG B 167 -14.021 10.042 2.898 1.00 15.35 C ATOM 1444 CD ARG B 167 -15.481 9.942 2.494 1.00 16.06 C ATOM 1445 NE ARG B 167 -16.081 8.835 3.223 1.00 17.19 N ATOM 1446 CZ ARG B 167 -16.451 8.865 4.501 1.00 18.69 C ATOM 1447 NH1 ARG B 167 -16.399 9.983 5.219 1.00 19.79 N ATOM 1448 NH2 ARG B 167 -16.926 7.755 5.048 1.00 22.20 N ATOM 1449 HE ARG B 167 -16.233 7.947 2.703 1.00 0.00 H ATOM 1450 HH12 ARG B 167 -16.695 9.975 6.216 1.00 0.00 H ATOM 1451 HH11 ARG B 167 -16.062 10.865 4.784 1.00 0.00 H ATOM 1452 HH22 ARG B 167 -17.222 7.752 6.045 1.00 0.00 H ATOM 1453 HH21 ARG B 167 -17.003 6.887 4.480 1.00 0.00 H ATOM 1454 H ARG B 167 -12.251 12.964 4.162 1.00 0.00 H ATOM 1455 N LEU B 168 -10.237 11.615 1.047 1.00 13.21 N ATOM 1456 CA LEU B 168 -9.374 12.296 0.108 1.00 14.25 C ATOM 1457 C LEU B 168 -9.302 11.477 -1.174 1.00 10.81 C ATOM 1458 O LEU B 168 -9.042 10.277 -1.131 1.00 12.83 O ATOM 1459 CB LEU B 168 -7.971 12.403 0.709 1.00 20.87 C ATOM 1460 CG LEU B 168 -7.012 13.404 0.094 1.00 27.30 C ATOM 1461 CD1 LEU B 168 -7.531 14.810 0.362 1.00 30.40 C ATOM 1462 CD2 LEU B 168 -5.614 13.214 0.657 1.00 30.40 C ATOM 1463 H LEU B 168 -10.210 10.576 1.077 1.00 0.00 H ATOM 1464 N LEU B 169 -9.508 12.125 -2.313 1.00 9.97 N ATOM 1465 CA LEU B 169 -9.275 11.468 -3.600 1.00 8.93 C ATOM 1466 C LEU B 169 -7.775 11.345 -3.845 1.00 10.29 C ATOM 1467 O LEU B 169 -7.044 12.330 -3.722 1.00 11.05 O ATOM 1468 CB LEU B 169 -9.914 12.251 -4.746 1.00 10.13 C ATOM 1469 CG LEU B 169 -10.073 11.456 -6.048 1.00 11.22 C ATOM 1470 CD1 LEU B 169 -11.191 10.430 -5.946 1.00 12.15 C ATOM 1471 CD2 LEU B 169 -10.336 12.406 -7.195 1.00 11.57 C ATOM 1472 H LEU B 169 -9.839 13.111 -2.291 1.00 0.00 H ATOM 1473 N LEU B 170 -7.331 10.134 -4.178 1.00 9.28 N ATOM 1474 CA LEU B 170 -5.949 9.885 -4.567 1.00 9.84 C ATOM 1475 C LEU B 170 -5.960 9.566 -6.038 1.00 9.86 C ATOM 1476 O LEU B 170 -6.677 8.668 -6.480 1.00 9.76 O ATOM 1477 CB LEU B 170 -5.353 8.715 -3.784 1.00 11.15 C ATOM 1478 CG LEU B 170 -5.248 8.922 -2.281 1.00 13.74 C ATOM 1479 CD1 LEU B 170 -4.765 7.636 -1.634 1.00 15.22 C ATOM 1480 CD2 LEU B 170 -4.342 10.087 -1.928 1.00 16.18 C ATOM 1481 H LEU B 170 -7.997 9.335 -4.160 1.00 0.00 H ATOM 1482 N GLU B 171 -5.187 10.337 -6.788 1.00 10.02 N ATOM 1483 CA GLU B 171 -5.141 10.224 -8.235 1.00 10.05 C ATOM 1484 C GLU B 171 -3.779 9.761 -8.732 1.00 9.42 C ATOM 1485 O GLU B 171 -2.798 9.711 -7.984 1.00 9.42 O ATOM 1486 CB GLU B 171 -5.469 11.580 -8.860 1.00 11.46 C ATOM 1487 CG GLU B 171 -6.800 12.163 -8.424 1.00 13.28 C ATOM 1488 CD GLU B 171 -7.060 13.512 -9.067 1.00 18.44 C ATOM 1489 OE1 GLU B 171 -8.016 13.614 -9.839 1.00 25.90 O ATOM 1490 OE2 GLU B 171 -6.278 14.453 -8.842 1.00 26.15 O ATOM 1491 H GLU B 171 -4.590 11.051 -6.323 1.00 0.00 H ATOM 1492 N HIS B 172 -3.745 9.412 -10.010 1.00 9.81 N ATOM 1493 CA HIS B 172 -2.543 8.938 -10.674 1.00 10.02 C ATOM 1494 C HIS B 172 -1.316 9.798 -10.381 1.00 8.77 C ATOM 1495 O HIS B 172 -1.295 10.996 -10.677 1.00 10.71 O ATOM 1496 CB HIS B 172 -2.783 8.915 -12.184 1.00 10.10 C ATOM 1497 CG HIS B 172 -1.655 8.319 -12.961 1.00 10.09 C ATOM 1498 ND1 HIS B 172 -0.821 9.050 -13.777 1.00 13.02 N ATOM 1499 CD2 HIS B 172 -1.225 7.040 -13.036 1.00 8.04 C ATOM 1500 CE1 HIS B 172 0.066 8.238 -14.327 1.00 10.39 C ATOM 1501 NE2 HIS B 172 -0.154 7.016 -13.883 1.00 12.82 N ATOM 1502 H HIS B 172 -4.622 9.481 -10.565 1.00 0.00 H ATOM 1503 N GLY B 173 -0.285 9.166 -9.826 1.00 8.84 N ATOM 1504 CA GLY B 173 0.973 9.829 -9.520 1.00 8.87 C ATOM 1505 C GLY B 173 1.062 10.433 -8.127 1.00 8.84 C ATOM 1506 O GLY B 173 2.119 10.872 -7.704 1.00 9.70 O ATOM 1507 H GLY B 173 -0.383 8.155 -9.601 1.00 0.00 H ATOM 1508 N ASP B 174 -0.044 10.449 -7.398 1.00 8.61 N ATOM 1509 CA ASP B 174 -0.023 10.995 -6.053 1.00 8.89 C ATOM 1510 C ASP B 174 0.782 10.109 -5.101 1.00 8.40 C ATOM 1511 O ASP B 174 0.668 8.883 -5.119 1.00 9.62 O ATOM 1512 CB ASP B 174 -1.437 11.161 -5.504 1.00 9.50 C ATOM 1513 CG ASP B 174 -2.206 12.293 -6.156 1.00 10.01 C ATOM 1514 OD1 ASP B 174 -1.610 13.117 -6.893 1.00 11.18 O ATOM 1515 OD2 ASP B 174 -3.433 12.372 -5.915 1.00 11.48 O ATOM 1516 H ASP B 174 -0.929 10.070 -7.790 1.00 0.00 H ATOM 1517 N VAL B 175 1.576 10.751 -4.254 1.00 8.89 N ATOM 1518 CA VAL B 175 2.333 10.064 -3.212 1.00 8.81 C ATOM 1519 C VAL B 175 1.977 10.688 -1.870 1.00 9.56 C ATOM 1520 O VAL B 175 1.879 11.905 -1.762 1.00 11.00 O ATOM 1521 CB VAL B 175 3.844 10.186 -3.460 1.00 10.01 C ATOM 1522 CG1 VAL B 175 4.640 9.545 -2.332 1.00 10.61 C ATOM 1523 CG2 VAL B 175 4.203 9.557 -4.787 1.00 9.97 C ATOM 1524 H VAL B 175 1.662 11.784 -4.336 1.00 0.00 H ATOM 1525 N VAL B 176 1.778 9.864 -0.851 1.00 10.68 N ATOM 1526 CA VAL B 176 1.619 10.381 0.493 1.00 10.88 C ATOM 1527 C VAL B 176 2.617 9.672 1.396 1.00 10.36 C ATOM 1528 O VAL B 176 2.770 8.442 1.339 1.00 10.23 O ATOM 1529 CB VAL B 176 0.206 10.198 1.057 1.00 12.24 C ATOM 1530 CG1 VAL B 176 0.085 10.991 2.355 1.00 12.45 C ATOM 1531 CG2 VAL B 176 -0.857 10.651 0.067 1.00 13.09 C ATOM 1532 H VAL B 176 1.736 8.838 -1.018 1.00 0.00 H ATOM 1533 N VAL B 177 3.320 10.462 2.200 1.00 11.50 N ATOM 1534 CA VAL B 177 4.200 9.933 3.229 1.00 10.85 C ATOM 1535 C VAL B 177 3.462 10.055 4.558 1.00 10.53 C ATOM 1536 O VAL B 177 3.203 11.164 5.039 1.00 12.48 O ATOM 1537 CB VAL B 177 5.549 10.675 3.278 1.00 12.41 C ATOM 1538 CG1 VAL B 177 6.472 10.045 4.310 1.00 12.44 C ATOM 1539 CG2 VAL B 177 6.213 10.668 1.911 1.00 12.48 C ATOM 1540 H VAL B 177 3.238 11.493 2.090 1.00 0.00 H ATOM 1541 N TRP B 178 3.124 8.900 5.132 1.00 10.61 N ATOM 1542 CA TRP B 178 2.327 8.821 6.343 1.00 11.32 C ATOM 1543 C TRP B 178 3.267 8.590 7.515 1.00 10.99 C ATOM 1544 O TRP B 178 3.659 7.464 7.794 1.00 11.93 O ATOM 1545 CB TRP B 178 1.291 7.697 6.239 1.00 13.27 C ATOM 1546 CG TRP B 178 0.326 7.857 5.089 1.00 14.44 C ATOM 1547 CD1 TRP B 178 0.408 7.267 3.859 1.00 14.87 C ATOM 1548 CD2 TRP B 178 -0.878 8.632 5.080 1.00 15.75 C ATOM 1549 NE1 TRP B 178 -0.660 7.649 3.080 1.00 16.52 N ATOM 1550 CE2 TRP B 178 -1.467 8.479 3.809 1.00 15.38 C ATOM 1551 CE3 TRP B 178 -1.507 9.453 6.021 1.00 17.13 C ATOM 1552 CZ2 TRP B 178 -2.665 9.114 3.456 1.00 19.15 C ATOM 1553 CZ3 TRP B 178 -2.695 10.081 5.672 1.00 19.41 C ATOM 1554 CH2 TRP B 178 -3.259 9.909 4.399 1.00 20.20 C ATOM 1555 HE1 TRP B 178 -0.827 7.355 2.097 1.00 0.00 H ATOM 1556 H TRP B 178 3.446 8.015 4.692 1.00 0.00 H ATOM 1557 N GLY B 179 3.656 9.676 8.172 1.00 11.59 N ATOM 1558 CA GLY B 179 4.524 9.612 9.331 1.00 11.66 C ATOM 1559 C GLY B 179 3.852 10.123 10.592 1.00 11.98 C ATOM 1560 O GLY B 179 2.665 10.434 10.596 1.00 11.82 O ATOM 1561 H GLY B 179 3.326 10.606 7.843 1.00 0.00 H ATOM 1562 N GLY B 180 4.613 10.177 11.679 1.00 12.30 N ATOM 1563 CA GLY B 180 4.082 10.627 12.959 1.00 11.93 C ATOM 1564 C GLY B 180 2.824 9.872 13.322 1.00 12.59 C ATOM 1565 O GLY B 180 2.746 8.652 13.164 1.00 12.57 O ATOM 1566 H GLY B 180 5.611 9.891 11.615 1.00 0.00 H ATOM 1567 N GLU B 181 1.826 10.598 13.806 1.00 13.14 N ATOM 1568 CA GLU B 181 0.591 9.973 14.259 1.00 14.49 C ATOM 1569 C GLU B 181 -0.154 9.293 13.117 1.00 13.14 C ATOM 1570 O GLU B 181 -0.731 8.225 13.298 1.00 14.37 O ATOM 1571 CB GLU B 181 -0.297 11.017 14.936 1.00 16.93 C ATOM 1572 CG GLU B 181 -1.480 10.428 15.675 1.00 19.33 C ATOM 1573 CD GLU B 181 -2.398 11.483 16.261 1.00 24.37 C ATOM 1574 OE1 GLU B 181 -2.024 12.679 16.282 1.00 29.30 O ATOM 1575 OE2 GLU B 181 -3.501 11.109 16.702 1.00 29.49 O ATOM 1576 H GLU B 181 1.927 11.632 13.863 1.00 0.00 H ATOM 1577 N SER B 182 -0.132 9.911 11.937 1.00 12.88 N ATOM 1578 CA SER B 182 -0.898 9.406 10.794 1.00 12.61 C ATOM 1579 C SER B 182 -0.510 7.986 10.377 1.00 13.29 C ATOM 1580 O SER B 182 -1.313 7.262 9.781 1.00 14.24 O ATOM 1581 CB SER B 182 -0.784 10.372 9.602 1.00 11.92 C ATOM 1582 OG SER B 182 0.455 10.255 8.906 1.00 12.51 O ATOM 1583 HG SER B 182 1.201 10.453 9.526 1.00 0.00 H ATOM 1584 H SER B 182 0.442 10.771 11.824 1.00 0.00 H ATOM 1585 N ARG B 183 0.736 7.616 10.666 1.00 12.53 N ATOM 1586 CA ARG B 183 1.251 6.272 10.431 1.00 13.07 C ATOM 1587 C ARG B 183 0.349 5.189 11.032 1.00 13.53 C ATOM 1588 O ARG B 183 0.281 4.079 10.516 1.00 13.59 O ATOM 1589 CB ARG B 183 2.668 6.189 11.011 1.00 13.09 C ATOM 1590 CG ARG B 183 3.308 4.815 11.048 1.00 13.21 C ATOM 1591 CD ARG B 183 3.519 4.208 9.673 1.00 12.62 C ATOM 1592 NE ARG B 183 4.126 2.890 9.836 1.00 12.42 N ATOM 1593 CZ ARG B 183 3.451 1.794 10.161 1.00 12.40 C ATOM 1594 NH1 ARG B 183 2.133 1.834 10.319 1.00 13.31 N ATOM 1595 NH2 ARG B 183 4.100 0.650 10.332 1.00 13.58 N ATOM 1596 HE ARG B 183 5.152 2.804 9.688 1.00 0.00 H ATOM 1597 HH12 ARG B 183 1.613 0.970 10.574 1.00 0.00 H ATOM 1598 HH11 ARG B 183 1.621 2.729 10.188 1.00 0.00 H ATOM 1599 HH22 ARG B 183 3.577 -0.212 10.587 1.00 0.00 H ATOM 1600 HH21 ARG B 183 5.132 0.615 10.211 1.00 0.00 H ATOM 1601 H ARG B 183 1.376 8.323 11.081 1.00 0.00 H ATOM 1602 N LEU B 184 -0.343 5.526 12.120 1.00 13.29 N ATOM 1603 CA LEU B 184 -1.199 4.576 12.819 1.00 14.14 C ATOM 1604 C LEU B 184 -2.698 4.841 12.672 1.00 13.43 C ATOM 1605 O LEU B 184 -3.509 4.236 13.375 1.00 15.58 O ATOM 1606 CB LEU B 184 -0.811 4.550 14.295 1.00 15.83 C ATOM 1607 CG LEU B 184 0.604 4.020 14.552 1.00 19.80 C ATOM 1608 CD1 LEU B 184 0.881 4.080 16.041 1.00 24.23 C ATOM 1609 CD2 LEU B 184 0.789 2.604 14.017 1.00 22.23 C ATOM 1610 H LEU B 184 -0.270 6.498 12.482 1.00 0.00 H ATOM 1611 N PHE B 185 -3.076 5.732 11.764 1.00 13.22 N ATOM 1612 CA PHE B 185 -4.491 5.957 11.504 1.00 13.29 C ATOM 1613 C PHE B 185 -5.154 4.731 10.904 1.00 12.27 C ATOM 1614 O PHE B 185 -4.563 4.014 10.077 1.00 13.49 O ATOM 1615 CB PHE B 185 -4.723 7.112 10.524 1.00 14.17 C ATOM 1616 CG PHE B 185 -4.510 8.491 11.095 1.00 15.32 C ATOM 1617 CD1 PHE B 185 -4.263 8.720 12.451 1.00 16.53 C ATOM 1618 CD2 PHE B 185 -4.588 9.584 10.246 1.00 18.01 C ATOM 1619 CE1 PHE B 185 -4.095 10.008 12.933 1.00 17.66 C ATOM 1620 CE2 PHE B 185 -4.409 10.868 10.724 1.00 19.94 C ATOM 1621 CZ PHE B 185 -4.170 11.083 12.065 1.00 19.23 C ATOM 1622 H PHE B 185 -2.360 6.271 11.237 1.00 0.00 H ATOM 1623 N TYR B 186 -6.407 4.517 11.290 1.00 12.66 N ATOM 1624 CA TYR B 186 -7.277 3.609 10.555 1.00 13.47 C ATOM 1625 C TYR B 186 -7.495 4.186 9.161 1.00 12.35 C ATOM 1626 O TYR B 186 -7.648 5.397 9.002 1.00 13.51 O ATOM 1627 CB TYR B 186 -8.616 3.455 11.268 1.00 14.53 C ATOM 1628 CG TYR B 186 -8.605 2.450 12.390 1.00 14.77 C ATOM 1629 CD1 TYR B 186 -8.230 2.821 13.679 1.00 16.02 C ATOM 1630 CD2 TYR B 186 -8.996 1.138 12.173 1.00 16.19 C ATOM 1631 CE1 TYR B 186 -8.232 1.905 14.713 1.00 17.70 C ATOM 1632 CE2 TYR B 186 -9.012 0.217 13.205 1.00 18.22 C ATOM 1633 CZ TYR B 186 -8.626 0.605 14.475 1.00 19.09 C ATOM 1634 OH TYR B 186 -8.634 -0.299 15.523 1.00 23.90 O ATOM 1635 HH TYR B 186 -8.025 -1.051 15.313 1.00 0.00 H ATOM 1636 H TYR B 186 -6.773 5.006 12.132 1.00 0.00 H ATOM 1637 N HIS B 187 -7.501 3.317 8.159 1.00 12.40 N ATOM 1638 CA HIS B 187 -7.621 3.764 6.776 1.00 12.07 C ATOM 1639 C HIS B 187 -8.216 2.671 5.910 1.00 11.49 C ATOM 1640 O HIS B 187 -8.219 1.492 6.281 1.00 12.26 O ATOM 1641 CB HIS B 187 -6.245 4.134 6.232 1.00 13.17 C ATOM 1642 CG HIS B 187 -5.269 3.005 6.323 1.00 14.26 C ATOM 1643 ND1 HIS B 187 -4.555 2.741 7.473 1.00 14.90 N ATOM 1644 CD2 HIS B 187 -4.949 2.022 5.446 1.00 14.75 C ATOM 1645 CE1 HIS B 187 -3.819 1.662 7.291 1.00 15.74 C ATOM 1646 NE2 HIS B 187 -4.055 1.196 6.079 1.00 15.80 N ATOM 1647 H HIS B 187 -7.419 2.300 8.363 1.00 0.00 H ATOM 1648 N GLY B 188 -8.735 3.082 4.761 1.00 11.95 N ATOM 1649 CA GLY B 188 -9.302 2.164 3.791 1.00 12.24 C ATOM 1650 C GLY B 188 -9.510 2.839 2.458 1.00 10.61 C ATOM 1651 O GLY B 188 -9.219 4.032 2.296 1.00 10.66 O ATOM 1652 H GLY B 188 -8.736 4.100 4.547 1.00 0.00 H ATOM 1653 N ILE B 189 -10.001 2.060 1.504 1.00 10.55 N ATOM 1654 CA ILE B 189 -10.286 2.544 0.152 1.00 10.35 C ATOM 1655 C ILE B 189 -11.712 2.141 -0.196 1.00 10.21 C ATOM 1656 O ILE B 189 -12.113 0.992 -0.030 1.00 11.54 O ATOM 1657 CB ILE B 189 -9.313 1.942 -0.896 1.00 11.06 C ATOM 1658 CG1 ILE B 189 -7.877 2.445 -0.675 1.00 11.88 C ATOM 1659 CG2 ILE B 189 -9.787 2.243 -2.320 1.00 11.57 C ATOM 1660 CD1 ILE B 189 -7.621 3.841 -1.196 1.00 13.59 C ATOM 1661 H ILE B 189 -10.192 1.062 1.726 1.00 0.00 H ATOM 1662 N GLN B 190 -12.479 3.103 -0.683 1.00 10.13 N ATOM 1663 CA GLN B 190 -13.876 2.875 -1.034 1.00 10.83 C ATOM 1664 C GLN B 190 -13.974 2.200 -2.401 1.00 10.40 C ATOM 1665 O GLN B 190 -13.054 2.306 -3.216 1.00 10.78 O ATOM 1666 CB GLN B 190 -14.637 4.193 -0.992 1.00 12.02 C ATOM 1667 CG GLN B 190 -14.494 4.859 0.363 1.00 13.68 C ATOM 1668 CD GLN B 190 -15.352 6.077 0.575 1.00 14.37 C ATOM 1669 OE1 GLN B 190 -16.132 6.509 -0.289 1.00 16.61 O ATOM 1670 NE2 GLN B 190 -15.186 6.664 1.740 1.00 13.83 N ATOM 1671 HE22 GLN B 190 -14.521 6.265 2.433 1.00 0.00 H ATOM 1672 HE21 GLN B 190 -15.720 7.527 1.968 1.00 0.00 H ATOM 1673 H GLN B 190 -12.073 4.051 -0.820 1.00 0.00 H ATOM 1674 N PRO B 191 -15.083 1.489 -2.657 1.00 10.99 N ATOM 1675 CA PRO B 191 -15.212 0.730 -3.903 1.00 11.00 C ATOM 1676 C PRO B 191 -14.814 1.519 -5.154 1.00 10.65 C ATOM 1677 O PRO B 191 -15.340 2.610 -5.420 1.00 12.01 O ATOM 1678 CB PRO B 191 -16.697 0.358 -3.921 1.00 12.42 C ATOM 1679 CG PRO B 191 -17.023 0.201 -2.478 1.00 13.50 C ATOM 1680 CD PRO B 191 -16.252 1.285 -1.783 1.00 12.45 C ATOM 1681 N LEU B 192 -13.886 0.959 -5.921 1.00 10.38 N ATOM 1682 CA LEU B 192 -13.306 1.690 -7.042 1.00 10.38 C ATOM 1683 C LEU B 192 -14.326 1.922 -8.151 1.00 10.72 C ATOM 1684 O LEU B 192 -14.952 0.977 -8.636 1.00 11.33 O ATOM 1685 CB LEU B 192 -12.107 0.944 -7.618 1.00 11.17 C ATOM 1686 CG LEU B 192 -11.270 1.769 -8.597 1.00 12.34 C ATOM 1687 CD1 LEU B 192 -10.289 2.638 -7.829 1.00 13.59 C ATOM 1688 CD2 LEU B 192 -10.550 0.878 -9.585 1.00 12.19 C ATOM 1689 H LEU B 192 -13.569 -0.011 -5.720 1.00 0.00 H ATOM 1690 N LYS B 193 -14.469 3.184 -8.559 1.00 10.70 N ATOM 1691 CA LYS B 193 -15.333 3.523 -9.677 1.00 10.99 C ATOM 1692 C LYS B 193 -14.680 3.051 -10.973 1.00 11.12 C ATOM 1693 O LYS B 193 -13.479 3.205 -11.156 1.00 11.65 O ATOM 1694 CB LYS B 193 -15.576 5.031 -9.722 1.00 12.50 C ATOM 1695 CG LYS B 193 -16.596 5.446 -10.762 1.00 15.80 C ATOM 1696 CD LYS B 193 -16.992 6.906 -10.624 1.00 20.66 C ATOM 1697 CE LYS B 193 -17.944 7.303 -11.741 1.00 25.68 C ATOM 1698 NZ LYS B 193 -18.268 8.752 -11.709 1.00 29.45 N ATOM 1699 HZ1 LYS B 193 -18.718 8.985 -10.801 1.00 0.00 H ATOM 1700 HZ2 LYS B 193 -17.393 9.304 -11.816 1.00 0.00 H ATOM 1701 HZ3 LYS B 193 -18.919 8.978 -12.488 1.00 0.00 H ATOM 1702 H LYS B 193 -13.952 3.940 -8.067 1.00 0.00 H ATOM 1703 N ALA B 194 -15.468 2.478 -11.868 1.00 12.87 N ATOM 1704 CA ALA B 194 -14.968 2.044 -13.170 1.00 14.16 C ATOM 1705 C ALA B 194 -14.595 3.261 -14.010 1.00 14.07 C ATOM 1706 O ALA B 194 -15.153 4.336 -13.860 1.00 17.29 O ATOM 1707 CB ALA B 194 -16.013 1.202 -13.894 1.00 16.92 C ATOM 1708 H ALA B 194 -16.472 2.332 -11.638 1.00 0.00 H ATOM 1709 N GLY B 195 -13.625 3.081 -14.891 1.00 13.84 N ATOM 1710 CA GLY B 195 -13.205 4.151 -15.768 1.00 13.96 C ATOM 1711 C GLY B 195 -12.092 3.693 -16.674 1.00 13.82 C ATOM 1712 O GLY B 195 -11.842 2.506 -16.812 1.00 16.27 O ATOM 1713 H GLY B 195 -13.157 2.155 -14.954 1.00 0.00 H ATOM 1714 N PHE B 196 -11.433 4.661 -17.285 1.00 13.85 N ATOM 1715 CA PHE B 196 -10.316 4.392 -18.169 1.00 12.69 C ATOM 1716 C PHE B 196 -9.130 5.243 -17.753 1.00 13.04 C ATOM 1717 O PHE B 196 -9.286 6.428 -17.469 1.00 14.76 O ATOM 1718 CB PHE B 196 -10.672 4.711 -19.630 1.00 13.87 C ATOM 1719 CG PHE B 196 -9.520 4.512 -20.572 1.00 14.23 C ATOM 1720 CD1 PHE B 196 -9.190 3.245 -21.026 1.00 15.90 C ATOM 1721 CD2 PHE B 196 -8.735 5.582 -20.959 1.00 14.50 C ATOM 1722 CE1 PHE B 196 -8.104 3.049 -21.859 1.00 16.91 C ATOM 1723 CE2 PHE B 196 -7.652 5.393 -21.806 1.00 16.05 C ATOM 1724 CZ PHE B 196 -7.338 4.126 -22.250 1.00 16.34 C ATOM 1725 H PHE B 196 -11.725 5.647 -17.127 1.00 0.00 H ATOM 1726 N HIS B 197 -7.947 4.635 -17.747 1.00 12.01 N ATOM 1727 CA HIS B 197 -6.700 5.363 -17.586 1.00 12.17 C ATOM 1728 C HIS B 197 -5.745 4.887 -18.678 1.00 12.20 C ATOM 1729 O HIS B 197 -5.625 3.691 -18.908 1.00 13.09 O ATOM 1730 CB HIS B 197 -6.064 5.154 -16.208 1.00 13.22 C ATOM 1731 CG HIS B 197 -4.945 6.102 -15.954 1.00 14.20 C ATOM 1732 ND1 HIS B 197 -3.664 5.872 -16.406 1.00 15.41 N ATOM 1733 CD2 HIS B 197 -4.931 7.331 -15.390 1.00 15.39 C ATOM 1734 CE1 HIS B 197 -2.902 6.905 -16.102 1.00 16.74 C ATOM 1735 NE2 HIS B 197 -3.649 7.806 -15.490 1.00 16.04 N ATOM 1736 H HIS B 197 -7.913 3.602 -17.862 1.00 0.00 H ATOM 1737 N PRO B 198 -5.070 5.814 -19.370 1.00 12.82 N ATOM 1738 CA PRO B 198 -4.284 5.351 -20.526 1.00 13.78 C ATOM 1739 C PRO B 198 -3.100 4.427 -20.216 1.00 13.79 C ATOM 1740 O PRO B 198 -2.639 3.706 -21.098 1.00 15.64 O ATOM 1741 CB PRO B 198 -3.789 6.663 -21.159 1.00 15.49 C ATOM 1742 CG PRO B 198 -3.878 7.679 -20.074 1.00 16.14 C ATOM 1743 CD PRO B 198 -5.070 7.283 -19.256 1.00 13.88 C ATOM 1744 N LEU B 199 -2.593 4.465 -18.989 1.00 13.48 N ATOM 1745 CA LEU B 199 -1.460 3.633 -18.598 1.00 12.55 C ATOM 1746 C LEU B 199 -1.844 2.328 -17.900 1.00 12.49 C ATOM 1747 O LEU B 199 -1.122 1.350 -18.016 1.00 17.22 O ATOM 1748 CB LEU B 199 -0.487 4.413 -17.709 1.00 13.76 C ATOM 1749 CG LEU B 199 0.284 5.580 -18.339 1.00 16.10 C ATOM 1750 CD1 LEU B 199 1.200 6.256 -17.334 1.00 14.41 C ATOM 1751 CD2 LEU B 199 1.096 5.121 -19.532 1.00 18.16 C ATOM 1752 H LEU B 199 -3.015 5.106 -18.287 1.00 0.00 H ATOM 1753 N THR B 200 -2.944 2.313 -17.148 1.00 11.09 N ATOM 1754 CA THR B 200 -3.367 1.100 -16.436 1.00 10.95 C ATOM 1755 C THR B 200 -4.632 0.449 -17.003 1.00 11.58 C ATOM 1756 O THR B 200 -5.045 -0.620 -16.542 1.00 13.93 O ATOM 1757 CB THR B 200 -3.644 1.412 -14.959 1.00 10.94 C ATOM 1758 OG1 THR B 200 -4.762 2.309 -14.874 1.00 11.59 O ATOM 1759 CG2 THR B 200 -2.418 2.013 -14.285 1.00 11.93 C ATOM 1760 HG1 THR B 200 -4.947 2.515 -13.923 1.00 0.00 H ATOM 1761 H THR B 200 -3.515 3.178 -17.063 1.00 0.00 H ATOM 1762 N ILE B 201 -5.239 1.113 -17.984 1.00 12.21 N ATOM 1763 CA ILE B 201 -6.473 0.691 -18.648 1.00 13.00 C ATOM 1764 C ILE B 201 -7.694 0.802 -17.730 1.00 13.42 C ATOM 1765 O ILE B 201 -8.424 1.767 -17.822 1.00 17.82 O ATOM 1766 CB ILE B 201 -6.363 -0.706 -19.313 1.00 14.91 C ATOM 1767 CG1 ILE B 201 -5.135 -0.771 -20.232 1.00 16.62 C ATOM 1768 CG2 ILE B 201 -7.642 -1.035 -20.077 1.00 16.20 C ATOM 1769 CD1 ILE B 201 -5.136 0.247 -21.356 1.00 17.82 C ATOM 1770 H ILE B 201 -4.802 2.001 -18.304 1.00 0.00 H ATOM 1771 N ASP B 202 -7.893 -0.168 -16.845 1.00 13.40 N ATOM 1772 CA ASP B 202 -9.143 -0.295 -16.092 1.00 14.47 C ATOM 1773 C ASP B 202 -8.952 -0.525 -14.594 1.00 13.21 C ATOM 1774 O ASP B 202 -9.882 -0.928 -13.905 1.00 16.59 O ATOM 1775 CB ASP B 202 -9.987 -1.449 -16.674 1.00 20.20 C ATOM 1776 CG ASP B 202 -9.275 -2.798 -16.614 1.00 25.00 C ATOM 1777 OD1 ASP B 202 -8.109 -2.858 -16.149 1.00 24.87 O ATOM 1778 OD2 ASP B 202 -9.882 -3.801 -17.023 1.00 43.13 O ATOM 1779 H ASP B 202 -7.135 -0.861 -16.681 1.00 0.00 H ATOM 1780 N CYS B 203 -7.760 -0.267 -14.085 1.00 10.13 N ATOM 1781 CA CYS B 203 -7.500 -0.533 -12.688 1.00 9.74 C ATOM 1782 C CYS B 203 -6.693 0.571 -12.040 1.00 9.42 C ATOM 1783 O CYS B 203 -6.198 1.494 -12.695 1.00 9.47 O ATOM 1784 CB CYS B 203 -6.784 -1.876 -12.522 1.00 9.70 C ATOM 1785 SG CYS B 203 -5.054 -1.874 -13.045 1.00 9.83 S ATOM 1786 H CYS B 203 -7.010 0.127 -14.689 1.00 0.00 H ATOM 1787 N ARG B 204 -6.611 0.468 -10.723 1.00 9.31 N ATOM 1788 CA ARG B 204 -5.744 1.304 -9.904 1.00 8.95 C ATOM 1789 C ARG B 204 -4.710 0.382 -9.268 1.00 8.76 C ATOM 1790 O ARG B 204 -5.035 -0.734 -8.850 1.00 9.30 O ATOM 1791 CB ARG B 204 -6.533 1.999 -8.807 1.00 9.52 C ATOM 1792 CG ARG B 204 -5.676 2.724 -7.787 1.00 10.06 C ATOM 1793 CD ARG B 204 -6.526 3.360 -6.700 1.00 10.53 C ATOM 1794 NE ARG B 204 -5.716 4.136 -5.769 1.00 11.19 N ATOM 1795 CZ ARG B 204 -5.353 3.766 -4.541 1.00 11.06 C ATOM 1796 NH1 ARG B 204 -5.715 2.597 -4.016 1.00 12.26 N ATOM 1797 NH2 ARG B 204 -4.618 4.598 -3.815 1.00 13.96 N ATOM 1798 HE ARG B 204 -5.390 5.068 -6.094 1.00 0.00 H ATOM 1799 HH12 ARG B 204 -5.412 2.343 -3.054 1.00 0.00 H ATOM 1800 HH11 ARG B 204 -6.300 1.938 -4.568 1.00 0.00 H ATOM 1801 HH22 ARG B 204 -4.324 4.329 -2.854 1.00 0.00 H ATOM 1802 HH21 ARG B 204 -4.336 5.519 -4.206 1.00 0.00 H ATOM 1803 H ARG B 204 -7.197 -0.248 -10.248 1.00 0.00 H ATOM 1804 N TYR B 205 -3.474 0.855 -9.194 1.00 8.99 N ATOM 1805 CA TYR B 205 -2.448 0.212 -8.375 1.00 8.82 C ATOM 1806 C TYR B 205 -2.061 1.140 -7.248 1.00 8.61 C ATOM 1807 O TYR B 205 -2.034 2.355 -7.418 1.00 9.65 O ATOM 1808 CB TYR B 205 -1.191 -0.115 -9.175 1.00 9.46 C ATOM 1809 CG TYR B 205 -1.393 -1.050 -10.329 1.00 10.61 C ATOM 1810 CD1 TYR B 205 -1.476 -2.432 -10.136 1.00 10.92 C ATOM 1811 CD2 TYR B 205 -1.481 -0.564 -11.622 1.00 13.17 C ATOM 1812 CE1 TYR B 205 -1.653 -3.295 -11.205 1.00 12.10 C ATOM 1813 CE2 TYR B 205 -1.653 -1.418 -12.693 1.00 15.21 C ATOM 1814 CZ TYR B 205 -1.750 -2.781 -12.480 1.00 13.53 C ATOM 1815 OH TYR B 205 -1.916 -3.631 -13.550 1.00 18.27 O ATOM 1816 HH TYR B 205 -1.967 -4.564 -13.224 1.00 0.00 H ATOM 1817 H TYR B 205 -3.227 1.709 -9.734 1.00 0.00 H ATOM 1818 N ASN B 206 -1.699 0.560 -6.113 1.00 8.72 N ATOM 1819 CA ASN B 206 -1.113 1.319 -5.028 1.00 8.67 C ATOM 1820 C ASN B 206 0.106 0.582 -4.514 1.00 8.58 C ATOM 1821 O ASN B 206 0.037 -0.620 -4.283 1.00 10.91 O ATOM 1822 CB ASN B 206 -2.108 1.531 -3.896 1.00 11.04 C ATOM 1823 CG ASN B 206 -1.522 2.366 -2.772 1.00 12.82 C ATOM 1824 OD1 ASN B 206 -0.970 1.831 -1.824 1.00 18.07 O ATOM 1825 ND2 ASN B 206 -1.585 3.678 -2.911 1.00 14.63 N ATOM 1826 HD22 ASN B 206 -2.066 4.091 -3.735 1.00 0.00 H ATOM 1827 HD21 ASN B 206 -1.154 4.298 -2.196 1.00 0.00 H ATOM 1828 H ASN B 206 -1.839 -0.464 -5.999 1.00 0.00 H ATOM 1829 N LEU B 207 1.203 1.306 -4.334 1.00 8.48 N ATOM 1830 CA LEU B 207 2.414 0.791 -3.709 1.00 9.03 C ATOM 1831 C LEU B 207 2.478 1.321 -2.290 1.00 9.07 C ATOM 1832 O LEU B 207 2.381 2.529 -2.095 1.00 9.93 O ATOM 1833 CB LEU B 207 3.659 1.262 -4.468 1.00 9.36 C ATOM 1834 CG LEU B 207 3.651 1.146 -5.993 1.00 10.44 C ATOM 1835 CD1 LEU B 207 4.932 1.716 -6.579 1.00 11.09 C ATOM 1836 CD2 LEU B 207 3.438 -0.291 -6.431 1.00 12.04 C ATOM 1837 H LEU B 207 1.198 2.295 -4.657 1.00 0.00 H ATOM 1838 N THR B 208 2.652 0.444 -1.298 1.00 8.93 N ATOM 1839 CA THR B 208 2.958 0.907 0.056 1.00 9.58 C ATOM 1840 C THR B 208 4.287 0.336 0.516 1.00 9.06 C ATOM 1841 O THR B 208 4.444 -0.883 0.685 1.00 9.54 O ATOM 1842 CB THR B 208 1.871 0.628 1.112 1.00 10.96 C ATOM 1843 OG1 THR B 208 1.373 -0.694 0.952 1.00 10.88 O ATOM 1844 CG2 THR B 208 0.733 1.645 1.013 1.00 11.45 C ATOM 1845 HG1 THR B 208 0.984 -0.792 0.047 1.00 0.00 H ATOM 1846 H THR B 208 2.569 -0.575 -1.489 1.00 0.00 H ATOM 1847 N PHE B 209 5.246 1.241 0.681 1.00 9.53 N ATOM 1848 CA PHE B 209 6.589 0.918 1.148 1.00 9.54 C ATOM 1849 C PHE B 209 6.608 0.936 2.672 1.00 9.40 C ATOM 1850 O PHE B 209 6.146 1.889 3.299 1.00 10.00 O ATOM 1851 CB PHE B 209 7.584 1.946 0.620 1.00 9.98 C ATOM 1852 CG PHE B 209 7.716 1.944 -0.874 1.00 9.76 C ATOM 1853 CD1 PHE B 209 6.880 2.706 -1.674 1.00 9.31 C ATOM 1854 CD2 PHE B 209 8.683 1.160 -1.476 1.00 10.66 C ATOM 1855 CE1 PHE B 209 7.008 2.670 -3.055 1.00 10.33 C ATOM 1856 CE2 PHE B 209 8.830 1.132 -2.851 1.00 10.55 C ATOM 1857 CZ PHE B 209 7.994 1.897 -3.639 1.00 10.69 C ATOM 1858 H PHE B 209 5.027 2.234 0.465 1.00 0.00 H ATOM 1859 N ARG B 210 7.147 -0.137 3.248 1.00 10.33 N ATOM 1860 CA ARG B 210 7.188 -0.340 4.688 1.00 10.88 C ATOM 1861 C ARG B 210 8.562 -0.805 5.141 1.00 10.74 C ATOM 1862 O ARG B 210 9.248 -1.540 4.421 1.00 12.21 O ATOM 1863 CB ARG B 210 6.189 -1.433 5.082 1.00 12.45 C ATOM 1864 CG ARG B 210 4.751 -1.172 4.665 1.00 13.60 C ATOM 1865 CD ARG B 210 4.188 -2.301 3.799 1.00 15.22 C ATOM 1866 NE ARG B 210 2.856 -1.956 3.322 1.00 14.48 N ATOM 1867 CZ ARG B 210 1.748 -2.020 4.062 1.00 15.24 C ATOM 1868 NH1 ARG B 210 1.790 -2.482 5.314 1.00 16.88 N ATOM 1869 NH2 ARG B 210 0.588 -1.626 3.547 1.00 16.62 N ATOM 1870 HE ARG B 210 2.762 -1.638 2.336 1.00 0.00 H ATOM 1871 HH12 ARG B 210 0.919 -2.527 5.881 1.00 0.00 H ATOM 1872 HH11 ARG B 210 2.693 -2.797 5.722 1.00 0.00 H ATOM 1873 HH22 ARG B 210 -0.279 -1.674 4.120 1.00 0.00 H ATOM 1874 HH21 ARG B 210 0.547 -1.270 2.571 1.00 0.00 H ATOM 1875 H ARG B 210 7.561 -0.869 2.636 1.00 0.00 H ATOM 1876 N GLN B 211 8.950 -0.378 6.340 1.00 11.99 N ATOM 1877 CA GLN B 211 10.031 -1.012 7.087 1.00 13.18 C ATOM 1878 C GLN B 211 9.378 -2.063 7.953 1.00 13.74 C ATOM 1879 O GLN B 211 8.733 -1.733 8.951 1.00 15.51 O ATOM 1880 CB GLN B 211 10.750 -0.012 7.978 1.00 17.44 C ATOM 1881 CG GLN B 211 11.865 0.716 7.275 1.00 20.87 C ATOM 1882 CD GLN B 211 12.749 1.541 8.196 1.00 20.47 C ATOM 1883 OE1 GLN B 211 13.323 2.527 7.757 1.00 22.26 O ATOM 1884 NE2 GLN B 211 12.876 1.136 9.471 1.00 21.73 N ATOM 1885 HE22 GLN B 211 12.368 0.290 9.801 1.00 0.00 H ATOM 1886 HE21 GLN B 211 13.482 1.668 10.128 1.00 0.00 H ATOM 1887 H GLN B 211 8.464 0.439 6.761 1.00 0.00 H ATOM 1888 N ALA B 212 9.504 -3.318 7.546 1.00 15.57 N ATOM 1889 CA ALA B 212 8.837 -4.424 8.228 1.00 17.68 C ATOM 1890 C ALA B 212 9.799 -5.290 9.045 1.00 18.90 C ATOM 1891 O ALA B 212 9.359 -6.037 9.908 1.00 23.44 O ATOM 1892 CB ALA B 212 8.102 -5.278 7.210 1.00 20.21 C ATOM 1893 H ALA B 212 10.096 -3.522 6.716 1.00 0.00 H ATOM 1894 N GLY B 213 11.096 -5.198 8.758 1.00 20.26 N ATOM 1895 CA GLY B 213 12.120 -5.942 9.494 1.00 23.46 C ATOM 1896 C GLY B 213 12.437 -5.310 10.836 1.00 30.30 C ATOM 1897 O GLY B 213 11.954 -4.218 11.158 1.00 34.76 O ATOM 1898 H GLY B 213 11.393 -4.574 7.981 1.00 0.00 H ATOM 1899 N LYS B 214 13.253 -6.000 11.622 1.00 32.96 N ATOM 1900 CA LYS B 214 13.577 -5.565 12.984 1.00 37.48 C ATOM 1901 C LYS B 214 14.320 -4.233 12.994 1.00 40.54 C ATOM 1902 O LYS B 214 15.344 -4.078 12.327 1.00 47.97 O ATOM 1903 CB LYS B 214 14.419 -6.627 13.692 1.00 40.47 C ATOM 1904 CG LYS B 214 13.711 -7.962 13.863 1.00 44.60 C ATOM 1905 CD LYS B 214 14.583 -8.966 14.599 1.00 47.91 C ATOM 1906 CE LYS B 214 13.936 -10.343 14.627 1.00 49.45 C ATOM 1907 NZ LYS B 214 14.784 -11.340 15.339 1.00 52.32 N ATOM 1908 HZ1 LYS B 214 15.702 -11.420 14.857 1.00 0.00 H ATOM 1909 HZ2 LYS B 214 14.933 -11.029 16.320 1.00 0.00 H ATOM 1910 HZ3 LYS B 214 14.307 -12.264 15.335 1.00 0.00 H ATOM 1911 H LYS B 214 13.677 -6.878 11.260 1.00 0.00 H TER 1912 LYS B 214 HETATM 1913 MN MN A 1 -2.990 -0.773 5.375 1.00 17.23 MN HETATM 1914 O HOH 2 -1.977 -2.823 4.909 1.00 19.64 O HETATM 1915 O HOH 3 -3.421 -4.812 3.903 1.00 49.72 O HETATM 1916 O HOH 4 -0.372 -0.880 -1.085 1.00 14.94 O HETATM 1917 O HOH 5 15.184 5.815 -10.928 1.00 61.81 O HETATM 1918 O HOH 6 -15.758 5.142 -4.551 1.00 24.91 O HETATM 1919 O HOH 7 -13.172 1.358 3.394 1.00 32.51 O HETATM 1920 O HOH 8 -4.906 -16.428 1.394 1.00 18.47 O HETATM 1921 O HOH 9 -10.713 -5.685 2.857 1.00 26.56 O HETATM 1922 O HOH 10 8.307 -15.427 -6.051 1.00 14.66 O HETATM 1923 O HOH 11 7.186 1.420 7.582 1.00 12.02 O HETATM 1924 O HOH 12 -7.782 -7.294 -9.602 1.00 17.43 O HETATM 1925 O HOH 13 -5.385 6.348 -7.473 1.00 14.11 O HETATM 1926 O HOH 14 -4.669 14.765 12.348 1.00 29.08 O HETATM 1927 O HOH 15 -13.728 14.298 4.601 1.00 26.16 O HETATM 1928 O HOH 16 -13.996 14.714 1.634 1.00 32.23 O HETATM 1929 O HOH 17 -8.985 -6.013 -7.426 1.00 14.26 O HETATM 1930 O HOH 18 -12.812 4.801 -4.448 1.00 13.09 O HETATM 1931 O HOH 19 -2.354 -15.772 -8.508 1.00 21.99 O HETATM 1932 O HOH 20 -11.929 5.381 -10.610 1.00 12.10 O HETATM 1933 O HOH 21 7.026 0.438 10.127 1.00 15.65 O HETATM 1934 O HOH 22 5.040 7.153 13.741 1.00 17.01 O HETATM 1935 O HOH 23 -6.307 9.048 -11.129 1.00 13.02 O HETATM 1936 O HOH 24 -16.034 12.661 4.760 1.00 25.03 O HETATM 1937 O HOH 25 6.126 13.903 -11.548 1.00 19.13 O HETATM 1938 O HOH 26 14.990 -5.953 -2.565 1.00 22.46 O HETATM 1939 O HOH 27 -10.167 -6.238 -0.377 1.00 18.05 O HETATM 1940 O HOH 28 -2.076 -6.311 -13.414 1.00 18.75 O HETATM 1941 O HOH 29 -5.461 -9.780 -1.498 1.00 15.31 O HETATM 1942 O HOH 30 7.692 10.829 13.273 1.00 30.81 O HETATM 1943 O HOH 31 14.250 -4.795 -0.053 1.00 21.97 O HETATM 1944 O HOH 32 17.885 10.423 2.170 1.00 16.74 O HETATM 1945 O HOH 33 5.007 8.251 -16.749 1.00 22.86 O HETATM 1946 O HOH 34 -8.832 -16.844 -3.557 1.00 46.94 O HETATM 1947 O HOH 35 3.673 -22.387 0.278 1.00 22.81 O HETATM 1948 O HOH 36 0.906 18.119 -2.872 1.00 19.13 O HETATM 1949 O HOH 37 -3.691 10.631 -15.083 1.00 27.19 O HETATM 1950 O HOH 38 7.785 11.102 -11.009 1.00 17.70 O HETATM 1951 O HOH 39 2.038 9.368 -15.951 1.00 14.89 O HETATM 1952 O HOH 40 -15.317 -14.114 0.034 1.00 26.65 O HETATM 1953 O HOH 41 -0.403 -11.376 -11.897 1.00 17.26 O HETATM 1954 O HOH 42 14.320 9.137 8.555 1.00 17.17 O HETATM 1955 O HOH 43 11.575 6.232 -9.930 1.00 21.08 O HETATM 1956 O HOH 44 6.815 8.744 15.110 1.00 17.83 O HETATM 1957 O HOH 45 -12.971 5.335 -7.276 1.00 13.30 O HETATM 1958 O HOH 46 -13.213 -16.876 0.659 1.00 19.89 O HETATM 1959 O HOH 47 1.343 -20.419 3.831 1.00 22.51 O HETATM 1960 O HOH 48 2.998 -9.579 -15.470 1.00 28.03 O HETATM 1961 O HOH 49 -2.175 2.460 10.332 1.00 15.47 O HETATM 1962 O HOH 50 4.690 15.986 -13.234 1.00 44.13 O HETATM 1963 O HOH 51 -6.262 -17.288 5.378 1.00 40.77 O HETATM 1964 O HOH 52 3.379 18.860 -3.465 1.00 23.85 O HETATM 1965 O HOH 53 -13.568 -6.664 -0.388 1.00 23.97 O HETATM 1966 O HOH 54 15.280 -2.421 -11.187 1.00 28.11 O HETATM 1967 O HOH 55 6.934 -21.867 -7.910 1.00 31.44 O HETATM 1968 O HOH 56 2.256 13.415 14.417 1.00 22.25 O HETATM 1969 O HOH 57 13.410 -0.159 -12.138 1.00 15.07 O HETATM 1970 O HOH 58 -7.555 14.913 -2.763 1.00 17.06 O HETATM 1971 O HOH 59 13.661 3.451 -0.779 1.00 19.60 O HETATM 1972 O HOH 60 -5.258 14.045 -4.905 1.00 20.25 O HETATM 1973 O HOH 61 7.349 0.614 17.377 1.00 23.58 O HETATM 1974 O HOH 62 -14.763 6.906 -14.023 1.00 24.51 O HETATM 1975 O HOH 63 13.623 -10.894 -2.250 1.00 28.24 O HETATM 1976 O HOH 64 4.114 1.066 -18.386 1.00 21.61 O HETATM 1977 O HOH 65 -2.979 13.012 -11.181 1.00 24.10 O HETATM 1978 O HOH 66 -12.092 -7.770 -7.356 1.00 26.85 O HETATM 1979 O HOH 67 8.850 14.086 -8.332 1.00 27.72 O HETATM 1980 O HOH 68 -7.899 10.965 -12.323 1.00 28.72 O HETATM 1981 O HOH 69 6.455 7.980 11.299 1.00 21.32 O HETATM 1982 O HOH 70 5.493 -10.226 10.532 1.00 31.11 O HETATM 1983 O HOH 71 8.336 6.664 -16.331 1.00 20.11 O HETATM 1984 O HOH 72 -6.781 -3.164 11.923 1.00 23.30 O HETATM 1985 O HOH 73 0.328 14.048 16.410 1.00 32.40 O HETATM 1986 O HOH 74 -3.285 14.685 -8.445 1.00 18.70 O HETATM 1987 O HOH 75 -14.866 14.117 9.389 1.00 33.88 O HETATM 1988 O HOH 76 -14.626 -5.618 -11.441 1.00 36.84 O HETATM 1989 O HOH 77 -17.753 2.775 -7.067 1.00 19.05 O HETATM 1990 O HOH 78 -0.271 -14.796 -0.555 1.00 21.97 O HETATM 1991 O HOH 79 -2.809 17.396 -8.690 1.00 27.31 O HETATM 1992 O HOH 80 19.056 13.042 2.714 1.00 21.78 O HETATM 1993 O HOH 81 11.228 7.604 11.276 1.00 25.02 O HETATM 1994 O HOH 82 -2.670 -13.077 -11.198 1.00 30.54 O HETATM 1995 O HOH 83 -8.581 7.806 -15.064 1.00 21.56 O HETATM 1996 O HOH 84 14.490 -6.881 6.167 1.00 37.27 O HETATM 1997 O HOH 85 -1.116 7.578 -2.707 1.00 18.54 O HETATM 1998 O HOH 86 -14.241 -5.992 -7.441 1.00 30.93 O HETATM 1999 O HOH 87 18.986 4.464 -14.044 1.00 27.84 O HETATM 2000 O HOH 88 15.010 15.004 5.064 1.00 19.86 O HETATM 2001 O HOH 89 5.727 13.295 9.637 1.00 22.82 O HETATM 2002 O HOH 90 -10.570 6.023 12.862 1.00 21.73 O HETATM 2003 O HOH 91 13.607 14.486 -2.687 1.00 27.06 O HETATM 2004 O HOH 92 10.866 6.942 -14.943 1.00 27.99 O HETATM 2005 O HOH 93 15.969 17.272 2.626 1.00 27.61 O HETATM 2006 O HOH 94 19.360 9.077 0.069 1.00 21.99 O HETATM 2007 O HOH 95 -6.085 10.090 16.315 1.00 27.57 O HETATM 2008 O HOH 96 -4.758 17.615 12.000 1.00 48.51 O HETATM 2009 O HOH 97 4.357 16.718 -5.254 1.00 20.75 O HETATM 2010 O HOH 98 5.348 0.162 19.510 1.00 44.12 O HETATM 2011 O HOH 99 -18.539 0.078 -7.199 1.00 24.75 O HETATM 2012 O HOH 100 0.539 -6.959 -13.583 1.00 23.21 O HETATM 2013 O HOH 101 -12.427 0.269 -14.730 1.00 23.33 O HETATM 2014 O HOH 102 9.569 -16.012 -8.437 1.00 33.41 O HETATM 2015 O HOH 103 -13.870 -10.808 -3.219 1.00 43.67 O HETATM 2016 O HOH 104 9.667 -2.287 11.444 1.00 23.74 O HETATM 2017 O HOH 105 12.694 15.022 -5.478 1.00 39.21 O HETATM 2018 O HOH 106 11.283 5.492 -12.577 1.00 27.32 O HETATM 2019 O HOH 107 12.327 -14.956 -6.468 1.00 28.53 O HETATM 2020 O HOH 108 19.619 -0.066 -9.774 1.00 22.07 O HETATM 2021 O HOH 109 16.763 6.409 2.915 1.00 25.13 O HETATM 2022 O HOH 110 -3.612 -23.492 10.622 1.00 45.14 O HETATM 2023 O HOH 111 12.588 -7.022 -9.475 1.00 35.36 O HETATM 2024 O HOH 112 -3.041 -7.060 -15.887 1.00 38.59 O HETATM 2025 O HOH 113 8.495 -3.506 18.551 1.00 40.83 O HETATM 2026 O HOH 114 12.163 8.780 -8.963 1.00 33.63 O HETATM 2027 O HOH 115 12.484 -1.351 11.200 1.00 31.33 O HETATM 2028 O HOH 116 -6.437 -14.985 -6.424 1.00 25.77 O HETATM 2029 O HOH 117 -10.366 12.201 12.804 1.00 40.82 O HETATM 2030 O HOH 118 -1.893 -4.328 12.134 1.00 34.96 O HETATM 2031 O HOH 119 14.620 1.685 -13.763 1.00 29.83 O HETATM 2032 O HOH 120 3.099 15.951 13.313 1.00 35.49 O HETATM 2033 O HOH 121 4.233 -3.280 16.372 1.00 28.27 O HETATM 2034 O HOH 122 -17.797 5.337 3.510 1.00 28.72 O HETATM 2035 O HOH 123 6.737 13.273 14.156 1.00 35.16 O HETATM 2036 O HOH 124 15.576 -1.397 6.530 1.00 40.59 O HETATM 2037 O HOH 125 12.337 -10.541 -14.866 1.00 40.84 O HETATM 2038 O HOH 126 -1.482 19.420 -3.509 1.00 26.66 O HETATM 2039 O HOH 127 -3.096 -11.021 -13.064 1.00 39.86 O HETATM 2040 O HOH 128 0.792 -4.266 10.266 1.00 27.35 O HETATM 2041 O HOH 129 -10.412 1.447 18.608 1.00 37.84 O HETATM 2042 O HOH 130 -2.760 -8.645 11.937 1.00 54.85 O HETATM 2043 O HOH 131 7.391 15.221 8.330 1.00 39.53 O HETATM 2044 O HOH 132 5.193 -4.056 -19.056 1.00 36.62 O HETATM 2045 O HOH 133 4.123 -1.719 -18.908 1.00 34.99 O HETATM 2046 O HOH 134 -4.013 2.591 17.817 1.00 34.58 O HETATM 2047 O HOH 135 0.437 -9.673 -14.163 1.00 32.06 O HETATM 2048 O HOH 136 7.399 -5.406 -17.550 1.00 25.67 O HETATM 2049 O HOH 137 13.486 17.541 3.680 1.00 27.41 O HETATM 2050 O HOH 138 8.837 -9.415 -17.043 1.00 40.21 O HETATM 2051 O HOH 139 2.331 9.851 -18.502 1.00 41.56 O HETATM 2052 O HOH 140 -7.559 9.403 18.559 1.00 31.92 O HETATM 2053 O HOH 141 8.183 -8.295 10.820 1.00 38.08 O HETATM 2054 O HOH 142 -15.746 -4.320 5.741 1.00 50.26 O HETATM 2055 O HOH 143 15.015 18.112 0.105 1.00 44.89 O HETATM 2056 O HOH 144 0.502 -7.538 8.905 1.00 42.71 O HETATM 2057 O HOH 145 -15.372 2.313 6.903 1.00 42.97 O HETATM 2058 O HOH 146 -3.110 -3.020 2.014 1.00 23.21 O HETATM 2059 O HOH 147 0.761 -22.335 -5.604 1.00 32.02 O HETATM 2060 O HOH 148 15.597 0.595 1.315 1.00 38.04 O HETATM 2061 O HOH 149 -5.437 -0.040 17.913 1.00 53.84 O HETATM 2062 O HOH 150 18.761 -2.774 -10.168 1.00 39.26 O HETATM 2063 O HOH 151 14.316 -3.128 7.971 1.00 45.77 O HETATM 2064 O HOH 152 13.223 -2.589 -14.680 1.00 40.07 O HETATM 2065 O HOH 153 -20.270 -1.527 -5.267 1.00 34.26 O HETATM 2066 O HOH 154 -6.992 9.988 -16.168 1.00 41.58 O HETATM 2067 O HOH 155 12.711 -12.240 0.016 1.00 35.82 O HETATM 2068 O HOH 156 1.520 -13.271 -13.332 1.00 34.39 O HETATM 2069 O HOH 157 -5.317 -12.302 -11.533 1.00 82.90 O HETATM 2070 O HOH 158 0.789 -13.922 12.006 1.00 32.98 O HETATM 2071 O HOH 159 1.543 17.473 10.427 1.00 40.19 O HETATM 2072 O HOH 160 7.776 -17.539 -10.310 1.00 42.34 O HETATM 2073 O HOH 161 -2.111 18.797 4.830 1.00 39.78 O HETATM 2074 O HOH 162 2.790 20.399 -5.772 1.00 40.48 O HETATM 2075 O HOH 163 -12.962 7.390 -12.200 1.00 21.62 O HETATM 2076 O HOH 164 5.680 -17.817 3.171 1.00 35.07 O HETATM 2077 O HOH 165 -13.748 -1.813 -16.244 1.00 26.72 O HETATM 2078 O HOH 166 16.035 8.994 -9.124 1.00 40.75 O HETATM 2079 O HOH 167 15.618 -11.871 -4.246 1.00 53.33 O HETATM 2080 O HOH 168 -16.698 9.005 11.168 1.00 27.75 O HETATM 2081 O HOH 169 8.718 14.533 -11.102 1.00 32.70 O HETATM 2082 O HOH 170 12.613 4.731 12.291 1.00 48.17 O HETATM 2083 O HOH 171 -6.577 -2.359 14.586 1.00 30.91 O HETATM 2084 O HOH 172 7.589 17.733 6.695 1.00 47.73 O HETATM 2085 O HOH 173 -7.621 -5.745 -12.097 1.00 40.79 O HETATM 2086 O HOH 174 -0.832 -23.074 11.635 1.00 39.04 O HETATM 2087 O HOH 175 5.817 -24.195 -5.619 1.00 38.14 O HETATM 2088 O HOH 176 -14.105 0.896 -17.358 1.00 42.50 O HETATM 2089 O HOH 177 -2.557 -11.640 12.041 1.00 84.89 O HETATM 2090 O HOH 178 8.530 16.684 -7.361 1.00 40.12 O HETATM 2091 O HOH 179 -17.839 10.395 13.353 1.00 37.52 O HETATM 2092 O HOH 180 -16.349 9.282 -14.676 1.00 44.88 O HETATM 2093 O HOH 181 -2.267 7.263 0.531 1.00 38.84 O HETATM 2094 O HOH 182 3.134 16.652 8.316 1.00 39.79 O HETATM 2095 O HOH 183 14.525 -2.142 -0.647 1.00 37.39 O HETATM 2096 O HOH 184 8.980 -10.727 9.643 1.00 45.72 O HETATM 2097 O HOH 185 -6.179 15.700 -6.601 1.00 47.46 O HETATM 2098 O HOH 186 0.511 -16.545 11.044 1.00 39.43 O HETATM 2099 O HOH 187 1.835 -18.725 -9.116 1.00 44.87 O HETATM 2100 O HOH 188 -10.198 -14.974 -6.527 1.00 47.07 O HETATM 2101 O HOH 189 -18.096 -3.228 -4.309 1.00 38.82 O HETATM 2102 O HOH 190 11.778 -14.559 -9.001 1.00 36.65 O HETATM 2103 O HOH 191 -13.011 -2.993 9.168 1.00 38.55 O HETATM 2104 O HOH 192 -9.609 -3.875 11.306 1.00 41.59 O HETATM 2105 O HOH 193 16.913 7.816 -4.514 1.00 43.17 O HETATM 2106 O HOH 194 11.424 -5.078 -11.799 1.00 28.38 O HETATM 2107 O HOH 195 -16.946 11.569 7.274 1.00 35.80 O HETATM 2108 O HOH 196 1.961 -9.934 12.047 1.00 33.24 O HETATM 2109 O HOH 197 -8.742 -4.508 5.096 1.00 36.12 O HETATM 2110 O HOH 198 5.610 14.754 12.000 1.00 34.06 O HETATM 2111 O HOH 199 13.997 -4.944 -11.036 1.00 35.25 O HETATM 2112 O HOH 200 14.545 8.439 2.405 1.00 28.19 O HETATM 2113 O HOH 201 -13.178 -12.673 -5.390 1.00 49.12 O HETATM 2114 O HOH 202 14.730 10.075 11.006 1.00 48.26 O HETATM 2115 O HOH 203 18.085 -9.672 -5.017 1.00 55.77 O HETATM 2116 O HOH 204 0.586 17.552 3.071 1.00 19.69 O HETATM 2117 O HOH 205 10.813 -15.865 -13.312 1.00 51.92 O HETATM 2118 O HOH 206 13.191 5.559 1.301 1.00 24.64 O HETATM 2119 O HOH 207 -14.517 -0.775 6.185 1.00 34.11 O HETATM 2120 O HOH 208 4.973 -15.226 -15.782 1.00 43.69 O HETATM 2121 O HOH 209 -2.745 10.989 -17.711 1.00 48.29 O HETATM 2122 O HOH 210 -16.378 2.739 3.611 1.00 66.16 O HETATM 2123 O HOH 211 -0.123 18.945 -0.194 1.00 32.66 O HETATM 2124 O HOH 212 -1.833 20.810 -5.938 1.00 48.84 O HETATM 2125 O HOH 213 18.456 -0.152 0.926 1.00 46.97 O HETATM 2126 O HOH 214 -15.406 1.138 1.768 1.00 37.07 O HETATM 2127 O HOH 215 -11.253 8.413 -14.141 1.00 23.14 O HETATM 2128 O HOH 216 12.490 7.069 8.728 1.00 20.54 O HETATM 2129 O HOH 217 -14.216 7.841 -7.372 1.00 30.24 O HETATM 2130 O HOH 218 -7.020 -11.467 -8.880 1.00 56.49 O HETATM 2131 O HOH 219 15.373 -8.673 -2.108 1.00 29.64 O HETATM 2132 O HOH 220 -0.535 19.139 -8.042 1.00 70.20 O HETATM 2133 O HOH 221 0.118 -22.399 -2.727 1.00 35.31 O HETATM 2134 O HOH 222 13.946 -12.683 -6.250 1.00 53.02 O HETATM 2135 O HOH 223 10.494 11.887 -11.792 1.00 48.67 O HETATM 2136 O HOH 224 12.440 17.911 -5.025 1.00 49.60 O HETATM 2137 O HOH 225 -9.415 -3.418 15.285 1.00 64.22 O HETATM 2138 O HOH 226 -5.996 18.487 -6.724 1.00 42.99 O HETATM 2139 O HOH 227 -17.685 3.429 1.060 1.00 31.31 O HETATM 2140 O HOH 228 -5.137 18.181 0.693 1.00 26.48 O HETATM 2141 O HOH 229 5.269 12.447 -18.072 1.00 44.90 O HETATM 2142 O HOH 230 -6.032 -5.490 5.012 1.00 40.98 O HETATM 2143 O HOH 231 11.559 18.875 -7.520 1.00 31.59 O HETATM 2144 O HOH 232 -12.426 7.299 -16.481 1.00 29.04 O HETATM 2145 O HOH 233 -5.711 -6.166 7.896 1.00 47.61 O HETATM 2146 O HOH 234 0.530 15.428 -18.888 1.00 51.57 O HETATM 2147 O HOH 235 4.557 13.339 15.806 1.00 32.83 O HETATM 2148 O HOH 236 4.284 15.243 17.799 1.00 45.89 O HETATM 2149 O HOH 237 10.913 9.710 -13.915 1.00 42.32 O HETATM 2150 O HOH 238 9.284 5.745 -18.915 1.00 41.93 O HETATM 2151 O HOH 239 1.511 0.971 -18.884 1.00 30.85 O HETATM 2152 O HOH 240 -16.832 6.840 -6.518 1.00 35.59 O HETATM 2153 O HOH 241 -13.820 9.290 -9.931 1.00 36.51 O HETATM 2154 O HOH 242 -9.669 -4.264 -13.569 1.00 33.19 O HETATM 2155 O HOH 243 -17.346 5.273 -2.577 1.00 20.80 O HETATM 2156 O HOH 244 13.440 4.605 9.393 1.00 33.60 O HETATM 2157 O HOH 245 -1.391 16.457 5.913 1.00 41.27 O HETATM 2158 O HOH 246 14.024 -10.498 -8.281 1.00 39.74 O HETATM 2159 O HOH 247 -13.078 -10.475 -7.164 1.00 45.18 O HETATM 2160 O HOH 248 -3.744 -17.839 6.199 1.00 30.21 O HETATM 2161 O HOH 249 0.351 -25.215 -2.268 1.00 58.10 O HETATM 2162 O HOH 250 13.883 4.248 -13.038 1.00 33.38 O HETATM 2163 O HOH 251 19.251 10.878 -1.926 1.00 32.74 O HETATM 2164 OAA RHN A 252 -4.394 2.469 -1.488 1.00 -0.56 O HETATM 2165 CAL RHN A 252 -4.096 1.423 -0.877 1.00 0.06 C HETATM 2166 OAD RHN A 252 -4.302 0.314 -1.427 1.00 -0.56 O HETATM 2167 CAM RHN A 252 -3.506 1.506 0.505 1.00 -0.01 C HETATM 2168 CAJ RHN A 252 -3.502 0.386 1.301 1.00 -0.03 C HETATM 2169 CAO RHN A 252 -2.917 0.400 2.560 1.00 0.10 C HETATM 2170 OAF RHN A 252 -3.047 -0.721 3.298 1.00 -0.33 O HETATM 2171 H4 RHN A 252 -2.612 -0.601 4.134 1.00 0.25 H HETATM 2172 CAU RHN A 252 -2.374 1.568 3.088 1.00 0.04 C HETATM 2173 CAQ RHN A 252 -1.576 1.640 4.281 1.00 0.11 C HETATM 2174 OAC RHN A 252 -1.471 0.519 5.040 1.00 -0.33 O HETATM 2175 H2 RHN A 252 -2.171 0.506 5.682 1.00 0.25 H HETATM 2176 CAT RHN A 252 -1.491 2.819 5.011 1.00 0.04 C HETATM 2177 CAN RHN A 252 -0.996 2.891 6.322 1.00 0.09 C HETATM 2178 OAE RHN A 252 -0.698 1.767 7.030 1.00 -0.33 O HETATM 2179 H3 RHN A 252 -0.779 1.008 6.465 1.00 0.25 H HETATM 2180 CAH RHN A 252 -0.937 4.119 6.971 1.00 -0.04 C HETATM 2181 CAG RHN A 252 -1.285 5.277 6.292 1.00 -0.08 C HETATM 2182 CAI RHN A 252 -1.703 5.204 4.959 1.00 -0.08 C HETATM 2183 CAR RHN A 252 -1.710 3.988 4.282 1.00 -0.00 C HETATM 2184 CAP RHN A 252 -2.098 3.927 2.942 1.00 0.09 C HETATM 2185 OAB RHN A 252 -2.043 5.057 2.162 1.00 -0.34 O HETATM 2186 H1 RHN A 252 -2.338 4.849 1.283 1.00 0.25 H HETATM 2187 CAS RHN A 252 -2.534 2.746 2.350 1.00 -0.00 C HETATM 2188 CAK RHN A 252 -3.063 2.707 1.050 1.00 -0.06 C HETATM 2189 H9 RHN A 252 -3.127 3.619 0.467 1.00 0.05 H HETATM 2190 H7 RHN A 252 -2.025 6.104 4.448 1.00 0.05 H HETATM 2191 H5 RHN A 252 -1.233 6.237 6.793 1.00 0.05 H HETATM 2192 H6 RHN A 252 -0.620 4.171 8.006 1.00 0.04 H HETATM 2193 H8 RHN A 252 -3.964 -0.525 0.939 1.00 0.05 H CONECT 1 2 7 8 9 CONECT 8 1 CONECT 9 1 CONECT 1108 1106 1107 1913 CONECT 1128 1127 1913 CONECT 1646 1644 1645 1913 CONECT 1913 1108 1128 1646 CONECT 2164 2165 CONECT 2165 2164 2166 2167 CONECT 2166 2165 CONECT 2167 2165 2168 2188 CONECT 2168 2167 2169 2193 CONECT 2169 2168 2170 2172 CONECT 2170 2169 2171 CONECT 2171 2170 CONECT 2172 2169 2173 2187 CONECT 2173 2172 2174 2176 CONECT 2174 2173 2175 CONECT 2175 2174 CONECT 2176 2173 2177 2183 CONECT 2177 2176 2178 2180 CONECT 2178 2177 2179 CONECT 2179 2178 CONECT 2180 2177 2181 2192 CONECT 2181 2180 2182 2191 CONECT 2182 2181 2183 2190 CONECT 2183 2176 2182 2184 CONECT 2184 2183 2185 2187 CONECT 2185 2184 2186 CONECT 2186 2185 CONECT 2187 2172 2184 2188 CONECT 2188 2167 2187 2189 CONECT 2189 2188 CONECT 2190 2182 CONECT 2191 2181 CONECT 2192 2180 CONECT 2193 2168 MASTER 0 0 0 0 0 0 0 0 2192 1 37 16 END
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Structure:
Ligand 2D
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Protein
Pocket-Ligand
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Related entries of code: 4rfr
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
3khc
RCSB PDB
PDBbind
219aa, >3KHC_1|Chains... *
3t3y
RCSB PDB
PDBbind
206aa, >3T3Y_1|Chain... at 99%
3t4h
RCSB PDB
PDBbind
206aa, >3T4H_1|Chain... at 99%
3t4v
RCSB PDB
PDBbind
206aa, >3T4V_1|Chain... at 99%
4jht
RCSB PDB
PDBbind
206aa, >4JHT_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
3r2a
RCSB PDB
PDBbind
RHN
4ie7
RCSB PDB
PDBbind
RHN
Entry Information
PDB ID
4rfr
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
AlkB repair enzyme-Mn2+ complex
Ligand Name
RHN
EC.Number
E.C.1.4.11.33
Resolution
1.5(Å)
Affinity (Kd/Ki/IC50)
Kd=0.29uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) J.Biol.Chem. Vol. 291: pp. 11083-11093
Ligand Properties
Formula
C
1
5
H
1
0
O
6
Molecular Weight
286.236
Exact Mass
286.048
No. of atoms
31
No. of bonds
33
Polar Surface Area
118.22
LOGP Value
4.16 (
Computed with XLOGP3
)
2.51 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 3
Canonical SMILES
OC(=O)c1cc(O)c2c(c1)c(O)c1c(c2O)c(O)ccc1
InChI String
InChI=1S/C15H10O6/c16-9-3-1-2-7-11(9)14(19)12-8(13(7)18)4-6(15(20)21)5-10(12)17/h1-5,16-19H,(H,20,21)
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):
P05050
Entrez Gene ID
NCBI Entrez Gene ID:
946708
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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