Browse entries in the PDBbind-CN Database
HEADER 5NAT_COMPLEX COMPND 5NAT_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 228 ILE LEU GLY GLY ARG GLU ALA GLU ALA HIS ALA ARG PRO SEQRES 2 A 228 TYR MET ALA SER VAL GLN LEU ASN GLY ALA HIS LEU CYS SEQRES 3 A 228 GLY GLY VAL LEU VAL ALA GLU GLN TRP VAL LEU SER ALA SEQRES 4 A 228 ALA HIS CYS LEU GLU ASP ALA ALA ASP GLY LYS VAL GLN SEQRES 5 A 228 VAL LEU LEU GLY ALA HIS SER LEU SER GLN PRO GLU PRO SEQRES 6 A 228 SER LYS ARG LEU TYR ASP VAL LEU ARG ALA VAL PRO HIS SEQRES 7 A 228 PRO ASP SER GLN PRO ASP THR ILE ASP HIS ASP LEU LEU SEQRES 8 A 228 LEU LEU GLN LEU SER GLU LYS ALA THR LEU GLY PRO ALA SEQRES 9 A 228 VAL ARG PRO LEU PRO TRP GLN ARG VAL ASP ARG ASP VAL SEQRES 10 A 228 ALA PRO GLY THR LEU CYS ASP VAL ALA GLY TRP GLY ILE SEQRES 11 A 228 VAL ASN HIS ALA GLY ARG ARG PRO ASP SER LEU GLN HIS SEQRES 12 A 228 VAL LEU LEU PRO VAL LEU ASP ARG ALA THR CYS ASN ARG SEQRES 13 A 228 ARG THR HIS HIS ASP GLY ALA ILE THR GLU ARG LEU MET SEQRES 14 A 228 CYS ALA GLU SER ASN ARG ARG ASP SER CYS LYS GLY ASP SEQRES 15 A 228 SER GLY GLY PRO LEU VAL CYS GLY GLY VAL LEU GLU GLY SEQRES 16 A 228 VAL VAL THR SER GLY SER ARG VAL CYS GLY ASN ARG LYS SEQRES 17 A 228 LYS PRO GLY ILE TYR THR ARG VAL ALA SER TYR ALA ALA SEQRES 18 A 228 TRP ILE ASP SER VAL LEU ALA HET MOL A 490 53 SSBOND 1 CYS A 42 CYS A 58 SSBOND 2 CYS A 168 CYS A 182 SSBOND 3 CYS A 136 CYS A 201 SSBOND 4 CYS A 191 CYS A 220 ATOM 1 N ILE A 16 8.031 -2.096 7.292 1.00 10.48 N ATOM 2 CA ILE A 16 8.035 -0.747 6.645 1.00 10.74 C ATOM 3 C ILE A 16 9.015 -0.791 5.490 1.00 11.26 C ATOM 4 O ILE A 16 10.173 -1.176 5.671 1.00 10.90 O ATOM 5 CB ILE A 16 8.464 0.362 7.657 1.00 10.40 C ATOM 6 CG1 ILE A 16 7.539 0.401 8.891 1.00 10.82 C ATOM 7 CG2 ILE A 16 8.610 1.718 6.979 1.00 12.75 C ATOM 8 CD1 ILE A 16 6.156 1.010 8.649 1.00 11.26 C ATOM 9 HN3 ILE A 16 8.987 -2.316 7.637 1.00 0.00 H ATOM 10 HN2 ILE A 16 7.738 -2.812 6.597 1.00 0.00 H ATOM 11 HN1 ILE A 16 7.365 -2.094 8.091 1.00 0.00 H ATOM 12 N LEU A 17 8.558 -0.418 4.301 1.00 12.24 N ATOM 13 CA LEU A 17 9.431 -0.304 3.141 1.00 13.44 C ATOM 14 C LEU A 17 9.805 1.145 2.905 1.00 12.85 C ATOM 15 O LEU A 17 8.981 2.043 3.016 1.00 13.16 O ATOM 16 CB LEU A 17 8.767 -0.870 1.874 1.00 15.33 C ATOM 17 CG LEU A 17 8.410 -2.352 1.716 1.00 18.81 C ATOM 18 CD1 LEU A 17 8.142 -2.631 0.243 1.00 20.67 C ATOM 19 CD2 LEU A 17 9.472 -3.296 2.205 1.00 21.36 C ATOM 20 H LEU A 17 7.547 -0.201 4.195 1.00 0.00 H ATOM 21 N GLY A 18 11.075 1.359 2.552 1.00 13.46 N ATOM 22 CA GLY A 18 11.514 2.701 2.184 1.00 14.35 C ATOM 23 C GLY A 18 11.591 3.663 3.356 1.00 14.10 C ATOM 24 O GLY A 18 11.640 4.883 3.169 1.00 15.42 O ATOM 25 H GLY A 18 11.751 0.569 2.539 1.00 0.00 H ATOM 26 N GLY A 19 11.647 3.109 4.564 1.00 13.44 N ATOM 27 CA GLY A 19 11.699 3.921 5.767 1.00 13.33 C ATOM 28 C GLY A 19 13.101 3.989 6.343 1.00 12.64 C ATOM 29 O GLY A 19 14.098 3.818 5.647 1.00 14.34 O ATOM 30 H GLY A 19 11.654 2.072 4.649 1.00 0.00 H ATOM 31 N ARG A 20 13.172 4.252 7.637 1.00 11.96 N ATOM 32 CA ARG A 20 14.429 4.418 8.363 1.00 12.63 C ATOM 33 C ARG A 20 14.210 3.897 9.765 1.00 11.41 C ATOM 34 O ARG A 20 13.068 3.828 10.242 1.00 10.79 O ATOM 35 CB ARG A 20 14.817 5.904 8.447 1.00 14.82 C ATOM 36 CG ARG A 20 15.245 6.559 7.142 1.00 18.42 C ATOM 37 CD ARG A 20 15.839 7.959 7.350 1.00 22.67 C ATOM 38 NE ARG A 20 17.123 7.943 8.047 1.00 22.93 N ATOM 39 CZ ARG A 20 17.487 9.240 8.573 1.00 24.86 C ATOM 40 NH1 ARG A 20 17.078 10.381 8.023 1.00 25.25 N ATOM 41 NH2 ARG A 20 18.475 9.262 9.461 1.00 25.23 N ATOM 42 HE ARG A 20 17.711 7.092 8.153 1.00 0.00 H ATOM 43 HH12 ARG A 20 17.366 11.290 8.437 1.00 0.00 H ATOM 44 HH11 ARG A 20 16.471 10.363 7.179 1.00 0.00 H ATOM 45 HH22 ARG A 20 18.782 10.165 9.875 1.00 0.00 H ATOM 46 HH21 ARG A 20 18.941 8.376 9.742 1.00 0.00 H ATOM 47 H ARG A 20 12.283 4.346 8.168 1.00 0.00 H ATOM 48 N GLU A 21 15.304 3.553 10.439 1.00 11.49 N ATOM 49 CA GLU A 21 15.207 3.132 11.811 1.00 11.60 C ATOM 50 C GLU A 21 14.674 4.295 12.638 1.00 11.43 C ATOM 51 O GLU A 21 15.144 5.427 12.523 1.00 13.33 O ATOM 52 CB GLU A 21 16.550 2.608 12.333 1.00 11.98 C ATOM 53 CG GLU A 21 16.447 2.124 13.784 1.00 13.30 C ATOM 54 CD GLU A 21 17.692 1.547 14.384 1.00 13.68 C ATOM 55 OE1 GLU A 21 18.742 1.424 13.717 1.00 14.82 O ATOM 56 OE2 GLU A 21 17.579 1.183 15.561 1.00 15.07 O ATOM 57 H GLU A 21 16.233 3.589 9.972 1.00 0.00 H ATOM 58 N ALA A 22 13.649 4.029 13.448 1.00 10.71 N ATOM 59 CA ALA A 22 13.068 5.054 14.311 1.00 11.25 C ATOM 60 C ALA A 22 14.023 5.454 15.436 1.00 11.21 C ATOM 61 O ALA A 22 14.864 4.656 15.860 1.00 11.84 O ATOM 62 CB ALA A 22 11.773 4.548 14.903 1.00 11.64 C ATOM 63 H ALA A 22 13.253 3.067 13.466 1.00 0.00 H ATOM 64 N GLU A 23 13.869 6.679 15.930 1.00 11.92 N ATOM 65 CA GLU A 23 14.536 7.133 17.153 1.00 12.83 C ATOM 66 C GLU A 23 14.002 6.313 18.332 1.00 12.08 C ATOM 67 O GLU A 23 12.801 6.318 18.610 1.00 11.35 O ATOM 68 CB GLU A 23 14.258 8.616 17.376 1.00 14.23 C ATOM 69 CG GLU A 23 14.888 9.250 18.617 1.00 18.11 C ATOM 70 CD GLU A 23 14.456 10.712 18.829 1.00 22.36 C ATOM 71 OE1 GLU A 23 13.711 11.281 17.993 1.00 24.76 O ATOM 72 OE2 GLU A 23 14.856 11.301 19.852 1.00 25.23 O ATOM 73 H GLU A 23 13.248 7.344 15.426 1.00 0.00 H ATOM 74 N ALA A 24 14.885 5.602 19.023 1.00 12.15 N ATOM 75 CA ALA A 24 14.462 4.701 20.100 1.00 11.89 C ATOM 76 C ALA A 24 13.599 5.428 21.127 1.00 11.12 C ATOM 77 O ALA A 24 13.984 6.473 21.653 1.00 11.37 O ATOM 78 CB ALA A 24 15.685 4.064 20.775 1.00 12.33 C ATOM 79 H ALA A 24 15.896 5.686 18.796 1.00 0.00 H ATOM 80 N HIS A 25 12.413 4.880 21.392 1.00 10.87 N ATOM 81 CA HIS A 25 11.497 5.372 22.437 1.00 10.68 C ATOM 82 C HIS A 25 10.856 6.714 22.152 1.00 11.15 C ATOM 83 O HIS A 25 10.169 7.250 23.014 1.00 12.61 O ATOM 84 CB HIS A 25 12.137 5.317 23.832 1.00 11.54 C ATOM 85 CG HIS A 25 12.863 4.041 24.071 1.00 11.27 C ATOM 86 ND1 HIS A 25 12.220 2.826 24.168 1.00 11.33 N ATOM 87 CD2 HIS A 25 14.188 3.773 24.185 1.00 11.84 C ATOM 88 CE1 HIS A 25 13.110 1.864 24.323 1.00 12.19 C ATOM 89 NE2 HIS A 25 14.314 2.415 24.342 1.00 12.07 N ATOM 90 H HIS A 25 12.117 4.057 20.829 1.00 0.00 H ATOM 91 N ALA A 26 11.022 7.229 20.939 1.00 10.65 N ATOM 92 CA ALA A 26 10.393 8.502 20.567 1.00 11.24 C ATOM 93 C ALA A 26 8.900 8.381 20.274 1.00 10.66 C ATOM 94 O ALA A 26 8.224 9.407 20.125 1.00 11.83 O ATOM 95 CB ALA A 26 11.102 9.148 19.405 1.00 13.25 C ATOM 96 H ALA A 26 11.606 6.723 20.243 1.00 0.00 H ATOM 97 N ARG A 27 8.390 7.158 20.184 1.00 9.47 N ATOM 98 CA ARG A 27 6.958 6.874 19.935 1.00 9.03 C ATOM 99 C ARG A 27 6.531 5.973 21.086 1.00 9.32 C ATOM 100 O ARG A 27 6.411 4.754 20.935 1.00 9.36 O ATOM 101 CB ARG A 27 6.767 6.185 18.592 1.00 9.23 C ATOM 102 CG ARG A 27 7.103 7.090 17.422 1.00 11.13 C ATOM 103 CD ARG A 27 7.206 6.315 16.119 1.00 11.51 C ATOM 104 NE ARG A 27 7.506 7.192 14.997 1.00 12.28 N ATOM 105 CZ ARG A 27 8.690 7.751 14.771 1.00 12.85 C ATOM 106 NH1 ARG A 27 9.738 7.509 15.557 1.00 13.62 N ATOM 107 NH2 ARG A 27 8.844 8.560 13.738 1.00 14.73 N ATOM 108 HE ARG A 27 6.739 7.396 14.324 1.00 0.00 H ATOM 109 HH12 ARG A 27 10.653 7.960 15.357 1.00 0.00 H ATOM 110 HH11 ARG A 27 9.641 6.869 16.371 1.00 0.00 H ATOM 111 HH22 ARG A 27 9.768 9.001 13.556 1.00 0.00 H ATOM 112 HH21 ARG A 27 8.041 8.756 13.107 1.00 0.00 H ATOM 113 H ARG A 27 9.036 6.350 20.295 1.00 0.00 H ATOM 114 N PRO A 28 6.290 6.577 22.258 1.00 9.48 N ATOM 115 CA PRO A 28 6.086 5.761 23.465 1.00 9.44 C ATOM 116 C PRO A 28 4.741 5.023 23.492 1.00 8.50 C ATOM 117 O PRO A 28 4.506 4.213 24.378 1.00 9.05 O ATOM 118 CB PRO A 28 6.167 6.795 24.592 1.00 10.99 C ATOM 119 CG PRO A 28 5.894 8.078 23.959 1.00 12.90 C ATOM 120 CD PRO A 28 6.391 8.013 22.573 1.00 11.13 C ATOM 121 N TYR A 29 3.894 5.314 22.510 1.00 8.38 N ATOM 122 CA TYR A 29 2.635 4.629 22.317 1.00 8.28 C ATOM 123 C TYR A 29 2.748 3.347 21.500 1.00 7.47 C ATOM 124 O TYR A 29 1.765 2.615 21.393 1.00 8.10 O ATOM 125 CB TYR A 29 1.689 5.554 21.571 1.00 8.91 C ATOM 126 CG TYR A 29 2.260 6.120 20.279 1.00 9.19 C ATOM 127 CD1 TYR A 29 2.233 5.386 19.096 1.00 9.61 C ATOM 128 CD2 TYR A 29 2.869 7.388 20.245 1.00 10.26 C ATOM 129 CE1 TYR A 29 2.741 5.905 17.905 1.00 10.21 C ATOM 130 CE2 TYR A 29 3.388 7.905 19.052 1.00 10.28 C ATOM 131 CZ TYR A 29 3.311 7.151 17.886 1.00 10.90 C ATOM 132 OH TYR A 29 3.826 7.667 16.709 1.00 12.75 O ATOM 133 HH TYR A 29 3.694 7.013 15.978 1.00 0.00 H ATOM 134 H TYR A 29 4.150 6.073 21.847 1.00 0.00 H ATOM 135 N MET A 30 3.914 3.084 20.921 1.00 7.65 N ATOM 136 CA MET A 30 4.034 2.007 19.954 1.00 7.60 C ATOM 137 C MET A 30 4.092 0.639 20.637 1.00 7.69 C ATOM 138 O MET A 30 4.904 0.435 21.541 1.00 8.45 O ATOM 139 CB MET A 30 5.274 2.263 19.095 1.00 7.85 C ATOM 140 CG MET A 30 5.429 1.365 17.933 1.00 8.83 C ATOM 141 SD MET A 30 4.186 1.690 16.659 1.00 9.35 S ATOM 142 CE MET A 30 4.112 -0.022 16.053 1.00 7.23 C ATOM 143 H MET A 30 4.749 3.655 21.162 1.00 0.00 H ATOM 144 N ALA A 31 3.260 -0.300 20.186 1.00 7.13 N ATOM 145 CA ALA A 31 3.179 -1.641 20.750 1.00 7.55 C ATOM 146 C ALA A 31 3.531 -2.681 19.711 1.00 7.33 C ATOM 147 O ALA A 31 3.190 -2.526 18.530 1.00 7.63 O ATOM 148 CB ALA A 31 1.768 -1.904 21.292 1.00 8.50 C ATOM 149 H ALA A 31 2.635 -0.063 19.389 1.00 0.00 H ATOM 150 N SER A 32 4.188 -3.755 20.160 1.00 7.60 N ATOM 151 CA SER A 32 4.313 -4.970 19.366 1.00 7.83 C ATOM 152 C SER A 32 3.351 -6.013 19.925 1.00 7.26 C ATOM 153 O SER A 32 3.457 -6.391 21.102 1.00 8.35 O ATOM 154 CB SER A 32 5.751 -5.497 19.388 1.00 8.20 C ATOM 155 OG SER A 32 5.822 -6.823 18.869 1.00 8.66 O ATOM 156 HG SER A 32 5.497 -6.828 17.934 1.00 0.00 H ATOM 157 H SER A 32 4.623 -3.722 21.104 1.00 0.00 H ATOM 158 N VAL A 33 2.380 -6.422 19.102 1.00 7.67 N ATOM 159 CA VAL A 33 1.462 -7.480 19.466 1.00 8.26 C ATOM 160 C VAL A 33 2.113 -8.784 19.066 1.00 8.82 C ATOM 161 O VAL A 33 2.493 -8.967 17.892 1.00 9.67 O ATOM 162 CB VAL A 33 0.117 -7.294 18.740 1.00 8.90 C ATOM 163 CG1 VAL A 33 -0.845 -8.442 19.057 1.00 10.49 C ATOM 164 CG2 VAL A 33 -0.479 -5.946 19.131 1.00 10.20 C ATOM 165 H VAL A 33 2.281 -5.966 18.172 1.00 0.00 H ATOM 166 N GLN A 34 2.259 -9.672 20.048 1.00 9.49 N ATOM 167 CA GLN A 34 3.056 -10.876 19.877 1.00 10.53 C ATOM 168 C GLN A 34 2.189 -12.104 20.057 1.00 10.53 C ATOM 169 O GLN A 34 1.240 -12.121 20.842 1.00 11.04 O ATOM 170 CB GLN A 34 4.202 -10.867 20.855 1.00 11.30 C ATOM 171 CG GLN A 34 4.967 -9.588 20.701 1.00 12.76 C ATOM 172 CD GLN A 34 6.391 -9.722 21.051 1.00 11.78 C ATOM 173 OE1 GLN A 34 6.769 -10.609 21.814 1.00 15.83 O ATOM 174 NE2 GLN A 34 7.193 -8.820 20.532 1.00 13.08 N ATOM 175 HE22 GLN A 34 6.814 -8.093 19.892 1.00 0.00 H ATOM 176 HE21 GLN A 34 8.207 -8.833 20.761 1.00 0.00 H ATOM 177 H GLN A 34 1.791 -9.500 20.961 1.00 0.00 H ATOM 178 N LEU A 35 2.542 -13.147 19.325 1.00 11.27 N ATOM 179 CA LEU A 35 1.850 -14.405 19.434 1.00 13.14 C ATOM 180 C LEU A 35 2.909 -15.455 19.674 1.00 14.51 C ATOM 181 O LEU A 35 3.839 -15.602 18.879 1.00 14.56 O ATOM 182 CB LEU A 35 1.062 -14.702 18.154 1.00 14.07 C ATOM 183 CG LEU A 35 0.219 -15.976 18.071 1.00 16.45 C ATOM 184 CD1 LEU A 35 -0.870 -15.961 19.103 1.00 18.35 C ATOM 185 CD2 LEU A 35 -0.377 -16.099 16.676 1.00 20.28 C ATOM 186 H LEU A 35 3.335 -13.057 18.658 1.00 0.00 H ATOM 187 N ASN A 36 2.804 -16.152 20.804 1.00 15.55 N ATOM 188 CA ASN A 36 3.798 -17.138 21.212 1.00 17.26 C ATOM 189 C ASN A 36 5.222 -16.593 21.137 1.00 17.25 C ATOM 190 O ASN A 36 6.153 -17.284 20.676 1.00 18.77 O ATOM 191 CB ASN A 36 3.625 -18.425 20.409 1.00 18.48 C ATOM 192 CG ASN A 36 2.290 -19.084 20.668 1.00 20.60 C ATOM 193 OD1 ASN A 36 1.812 -19.120 21.805 1.00 22.06 O ATOM 194 ND2 ASN A 36 1.663 -19.583 19.613 1.00 22.60 N ATOM 195 HD22 ASN A 36 2.104 -19.530 18.673 1.00 0.00 H ATOM 196 HD21 ASN A 36 0.729 -20.027 19.725 1.00 0.00 H ATOM 197 H ASN A 36 1.982 -15.987 21.419 1.00 0.00 H ATOM 198 N GLY A 38 5.392 -15.359 21.611 1.00 17.05 N ATOM 199 CA GLY A 38 6.704 -14.737 21.735 1.00 17.55 C ATOM 200 C GLY A 38 7.288 -14.120 20.483 1.00 16.69 C ATOM 201 O GLY A 38 8.416 -13.637 20.517 1.00 18.99 O ATOM 202 H GLY A 38 4.554 -14.818 21.904 1.00 0.00 H ATOM 203 N ALA A 39 6.554 -14.140 19.372 1.00 14.94 N ATOM 204 CA ALA A 39 7.053 -13.558 18.135 1.00 14.00 C ATOM 205 C ALA A 39 6.207 -12.352 17.750 1.00 12.02 C ATOM 206 O ALA A 39 4.977 -12.391 17.870 1.00 11.96 O ATOM 207 CB ALA A 39 7.017 -14.577 17.025 1.00 15.58 C ATOM 208 H ALA A 39 5.611 -14.578 19.389 1.00 0.00 H ATOM 209 N HIS A 40 6.857 -11.309 17.237 1.00 10.83 N ATOM 210 CA HIS A 40 6.124 -10.172 16.709 1.00 10.52 C ATOM 211 C HIS A 40 5.156 -10.608 15.613 1.00 10.43 C ATOM 212 O HIS A 40 5.535 -11.310 14.671 1.00 11.50 O ATOM 213 CB HIS A 40 7.089 -9.139 16.148 1.00 9.92 C ATOM 214 CG HIS A 40 6.390 -8.030 15.447 1.00 9.02 C ATOM 215 ND1 HIS A 40 5.835 -6.971 16.125 1.00 8.33 N ATOM 216 CD2 HIS A 40 6.078 -7.857 14.140 1.00 10.18 C ATOM 217 CE1 HIS A 40 5.214 -6.187 15.259 1.00 8.20 C ATOM 218 NE2 HIS A 40 5.344 -6.700 14.049 1.00 9.67 N ATOM 219 H HIS A 40 7.897 -11.309 17.214 1.00 0.00 H ATOM 220 N LEU A 41 3.909 -10.162 15.739 1.00 10.28 N ATOM 221 CA LEU A 41 2.864 -10.469 14.791 1.00 11.17 C ATOM 222 C LEU A 41 2.333 -9.202 14.116 1.00 10.39 C ATOM 223 O LEU A 41 2.221 -9.134 12.892 1.00 12.28 O ATOM 224 CB LEU A 41 1.750 -11.200 15.539 1.00 12.70 C ATOM 225 CG LEU A 41 0.534 -11.592 14.703 1.00 15.85 C ATOM 226 CD1 LEU A 41 0.929 -12.587 13.613 1.00 18.70 C ATOM 227 CD2 LEU A 41 -0.579 -12.137 15.574 1.00 19.31 C ATOM 228 H LEU A 41 3.676 -9.565 16.558 1.00 0.00 H ATOM 229 N CYS A 42 1.995 -8.196 14.909 1.00 9.33 N ATOM 230 CA CYS A 42 1.323 -6.999 14.389 1.00 9.51 C ATOM 231 C CYS A 42 1.798 -5.815 15.194 1.00 7.52 C ATOM 232 O CYS A 42 2.227 -5.952 16.337 1.00 8.47 O ATOM 233 CB CYS A 42 -0.236 -7.107 14.515 1.00 11.15 C ATOM 234 SG CYS A 42 -1.020 -8.055 13.267 1.00 14.48 S ATOM 235 H CYS A 42 2.211 -8.256 15.925 1.00 0.00 H ATOM 236 N GLY A 43 1.639 -4.626 14.635 1.00 7.83 N ATOM 237 CA GLY A 43 1.725 -3.432 15.417 1.00 7.48 C ATOM 238 C GLY A 43 0.475 -3.205 16.230 1.00 7.27 C ATOM 239 O GLY A 43 -0.563 -3.857 16.040 1.00 7.91 O ATOM 240 H GLY A 43 1.449 -4.559 13.615 1.00 0.00 H ATOM 241 N GLY A 44 0.568 -2.242 17.132 1.00 7.90 N ATOM 242 CA GLY A 44 -0.561 -1.771 17.898 1.00 7.54 C ATOM 243 C GLY A 44 -0.210 -0.428 18.497 1.00 6.83 C ATOM 244 O GLY A 44 0.942 0.034 18.412 1.00 7.76 O ATOM 245 H GLY A 44 1.497 -1.804 17.297 1.00 0.00 H ATOM 246 N VAL A 45 -1.196 0.177 19.156 1.00 7.32 N ATOM 247 CA VAL A 45 -1.020 1.503 19.730 1.00 7.89 C ATOM 248 C VAL A 45 -1.686 1.565 21.077 1.00 7.25 C ATOM 249 O VAL A 45 -2.856 1.193 21.223 1.00 7.59 O ATOM 250 CB VAL A 45 -1.507 2.624 18.760 1.00 8.84 C ATOM 251 CG1 VAL A 45 -2.906 2.392 18.197 1.00 10.45 C ATOM 252 CG2 VAL A 45 -1.398 3.995 19.374 1.00 9.89 C ATOM 253 H VAL A 45 -2.110 -0.307 19.263 1.00 0.00 H ATOM 254 N LEU A 46 -0.943 2.010 22.087 1.00 7.35 N ATOM 255 CA LEU A 46 -1.492 2.208 23.430 1.00 7.73 C ATOM 256 C LEU A 46 -2.419 3.430 23.385 1.00 7.78 C ATOM 257 O LEU A 46 -1.959 4.542 23.106 1.00 8.47 O ATOM 258 CB LEU A 46 -0.328 2.434 24.413 1.00 8.18 C ATOM 259 CG LEU A 46 -0.706 2.452 25.892 1.00 8.92 C ATOM 260 CD1 LEU A 46 -1.216 1.093 26.385 1.00 9.33 C ATOM 261 CD2 LEU A 46 0.502 2.889 26.719 1.00 10.73 C ATOM 262 H LEU A 46 0.060 2.224 21.917 1.00 0.00 H ATOM 263 N VAL A 47 -3.721 3.212 23.645 1.00 7.96 N ATOM 264 CA VAL A 47 -4.717 4.277 23.561 1.00 9.00 C ATOM 265 C VAL A 47 -5.317 4.615 24.919 1.00 9.44 C ATOM 266 O VAL A 47 -6.019 5.603 25.052 1.00 10.35 O ATOM 267 CB VAL A 47 -5.851 3.940 22.558 1.00 9.09 C ATOM 268 CG1 VAL A 47 -5.317 3.887 21.137 1.00 10.73 C ATOM 269 CG2 VAL A 47 -6.578 2.679 22.929 1.00 10.06 C ATOM 270 H VAL A 47 -4.028 2.255 23.914 1.00 0.00 H ATOM 271 N ALA A 48 -5.039 3.796 25.924 1.00 9.95 N ATOM 272 CA ALA A 48 -5.448 4.072 27.300 1.00 10.89 C ATOM 273 C ALA A 48 -4.465 3.329 28.180 1.00 10.97 C ATOM 274 O ALA A 48 -3.641 2.557 27.685 1.00 11.68 O ATOM 275 CB ALA A 48 -6.901 3.615 27.562 1.00 11.39 C ATOM 276 H ALA A 48 -4.509 2.923 25.726 1.00 0.00 H ATOM 277 N GLU A 49 -4.550 3.508 29.486 1.00 11.71 N ATOM 278 CA GLU A 49 -3.557 2.888 30.337 1.00 12.77 C ATOM 279 C GLU A 49 -3.551 1.371 30.257 1.00 11.21 C ATOM 280 O GLU A 49 -2.491 0.758 30.403 1.00 12.24 O ATOM 281 CB GLU A 49 -3.726 3.362 31.764 1.00 14.78 C ATOM 282 CG GLU A 49 -3.438 4.846 31.934 1.00 19.18 C ATOM 283 CD GLU A 49 -3.351 5.290 33.383 1.00 23.74 C ATOM 284 OE1 GLU A 49 -2.943 4.486 34.251 1.00 25.03 O ATOM 285 OE2 GLU A 49 -3.683 6.466 33.654 1.00 28.13 O ATOM 286 H GLU A 49 -5.315 4.083 29.894 1.00 0.00 H ATOM 287 N GLN A 50 -4.714 0.763 30.025 1.00 10.07 N ATOM 288 CA GLN A 50 -4.825 -0.691 30.010 1.00 10.10 C ATOM 289 C GLN A 50 -5.223 -1.261 28.653 1.00 8.76 C ATOM 290 O GLN A 50 -5.571 -2.428 28.575 1.00 9.61 O ATOM 291 CB GLN A 50 -5.801 -1.158 31.096 1.00 10.61 C ATOM 292 CG GLN A 50 -5.601 -2.593 31.543 1.00 11.21 C ATOM 293 CD GLN A 50 -6.420 -2.946 32.763 1.00 13.18 C ATOM 294 OE1 GLN A 50 -7.009 -2.071 33.405 1.00 17.05 O ATOM 295 NE2 GLN A 50 -6.474 -4.233 33.096 1.00 13.00 N ATOM 296 HE22 GLN A 50 -5.963 -4.939 32.528 1.00 0.00 H ATOM 297 HE21 GLN A 50 -7.027 -4.533 33.924 1.00 0.00 H ATOM 298 H GLN A 50 -5.562 1.339 29.851 1.00 0.00 H ATOM 299 N TRP A 51 -5.184 -0.448 27.586 1.00 8.66 N ATOM 300 CA TRP A 51 -5.774 -0.869 26.308 1.00 8.07 C ATOM 301 C TRP A 51 -4.898 -0.517 25.130 1.00 7.93 C ATOM 302 O TRP A 51 -4.442 0.616 24.999 1.00 8.49 O ATOM 303 CB TRP A 51 -7.131 -0.232 26.114 1.00 9.08 C ATOM 304 CG TRP A 51 -8.161 -0.703 27.060 1.00 9.85 C ATOM 305 CD1 TRP A 51 -8.483 -0.163 28.274 1.00 10.43 C ATOM 306 CD2 TRP A 51 -9.029 -1.813 26.855 1.00 9.27 C ATOM 307 NE1 TRP A 51 -9.508 -0.884 28.842 1.00 11.73 N ATOM 308 CE2 TRP A 51 -9.882 -1.889 27.985 1.00 10.14 C ATOM 309 CE3 TRP A 51 -9.178 -2.748 25.823 1.00 10.04 C ATOM 310 CZ2 TRP A 51 -10.879 -2.856 28.104 1.00 12.04 C ATOM 311 CZ3 TRP A 51 -10.195 -3.692 25.921 1.00 11.00 C ATOM 312 CH2 TRP A 51 -11.032 -3.740 27.074 1.00 11.87 C ATOM 313 HE1 TRP A 51 -9.932 -0.697 29.773 1.00 0.00 H ATOM 314 H TRP A 51 -4.733 0.486 27.664 1.00 0.00 H ATOM 315 N VAL A 52 -4.689 -1.515 24.279 1.00 7.51 N ATOM 316 CA VAL A 52 -3.957 -1.382 23.038 1.00 7.53 C ATOM 317 C VAL A 52 -4.906 -1.666 21.871 1.00 7.00 C ATOM 318 O VAL A 52 -5.633 -2.663 21.861 1.00 7.96 O ATOM 319 CB VAL A 52 -2.744 -2.344 23.030 1.00 7.74 C ATOM 320 CG1 VAL A 52 -2.133 -2.473 21.652 1.00 8.23 C ATOM 321 CG2 VAL A 52 -1.703 -1.882 24.066 1.00 9.38 C ATOM 322 H VAL A 52 -5.075 -2.450 24.520 1.00 0.00 H ATOM 323 N LEU A 53 -4.878 -0.789 20.886 1.00 6.76 N ATOM 324 CA LEU A 53 -5.656 -0.924 19.667 1.00 7.10 C ATOM 325 C LEU A 53 -4.776 -1.500 18.566 1.00 7.05 C ATOM 326 O LEU A 53 -3.636 -1.087 18.380 1.00 7.47 O ATOM 327 CB LEU A 53 -6.201 0.447 19.271 1.00 7.40 C ATOM 328 CG LEU A 53 -7.139 0.512 18.061 1.00 8.10 C ATOM 329 CD1 LEU A 53 -8.454 -0.228 18.289 1.00 8.56 C ATOM 330 CD2 LEU A 53 -7.385 1.961 17.708 1.00 9.55 C ATOM 331 H LEU A 53 -4.265 0.045 20.988 1.00 0.00 H ATOM 332 N SER A 54 -5.338 -2.443 17.824 1.00 6.84 N ATOM 333 CA SER A 54 -4.659 -3.092 16.708 1.00 7.15 C ATOM 334 C SER A 54 -5.731 -3.470 15.661 1.00 7.04 C ATOM 335 O SER A 54 -6.839 -2.909 15.664 1.00 7.38 O ATOM 336 CB SER A 54 -3.889 -4.304 17.246 1.00 8.09 C ATOM 337 OG SER A 54 -3.068 -4.909 16.274 1.00 8.78 O ATOM 338 HG SER A 54 -2.405 -4.251 15.948 1.00 0.00 H ATOM 339 H SER A 54 -6.311 -2.735 18.048 1.00 0.00 H ATOM 340 N ALA A 55 -5.398 -4.412 14.781 1.00 7.69 N ATOM 341 CA ALA A 55 -6.305 -4.854 13.728 1.00 7.95 C ATOM 342 C ALA A 55 -6.873 -6.219 14.038 1.00 8.45 C ATOM 343 O ALA A 55 -6.208 -7.107 14.548 1.00 10.18 O ATOM 344 CB ALA A 55 -5.593 -4.863 12.376 1.00 10.23 C ATOM 345 H ALA A 55 -4.456 -4.849 14.847 1.00 0.00 H ATOM 346 N ALA A 56 -8.142 -6.413 13.697 1.00 9.69 N ATOM 347 CA ALA A 56 -8.820 -7.675 13.962 1.00 10.51 C ATOM 348 C ALA A 56 -8.215 -8.887 13.270 1.00 10.76 C ATOM 349 O ALA A 56 -8.149 -9.962 13.869 1.00 12.82 O ATOM 350 CB ALA A 56 -10.302 -7.560 13.600 1.00 11.16 C ATOM 351 H ALA A 56 -8.665 -5.645 13.229 1.00 0.00 H ATOM 352 N HIS A 57 -7.798 -8.749 12.014 1.00 11.81 N ATOM 353 CA HIS A 57 -7.231 -9.900 11.287 1.00 14.70 C ATOM 354 C HIS A 57 -5.981 -10.434 11.988 1.00 14.14 C ATOM 355 O HIS A 57 -5.588 -11.589 11.763 1.00 14.77 O ATOM 356 CB HIS A 57 -6.841 -9.580 9.834 1.00 16.47 C ATOM 357 CG HIS A 57 -7.980 -9.266 8.913 1.00 21.55 C ATOM 358 ND1 HIS A 57 -9.113 -10.043 8.816 1.00 25.60 N ATOM 359 CD2 HIS A 57 -8.115 -8.291 7.983 1.00 24.62 C ATOM 360 CE1 HIS A 57 -9.913 -9.541 7.891 1.00 26.03 C ATOM 361 NE2 HIS A 57 -9.334 -8.472 7.375 1.00 25.45 N ATOM 362 H HIS A 57 -7.872 -7.825 11.543 1.00 0.00 H ATOM 363 N CYS A 58 -5.339 -9.600 12.809 1.00 13.80 N ATOM 364 CA CYS A 58 -4.144 -10.049 13.512 1.00 15.58 C ATOM 365 C CYS A 58 -4.365 -11.325 14.287 1.00 16.70 C ATOM 366 O CYS A 58 -3.487 -12.196 14.313 1.00 18.84 O ATOM 367 CB CYS A 58 -3.634 -8.954 14.430 1.00 14.34 C ATOM 368 SG CYS A 58 -2.995 -7.571 13.485 1.00 16.30 S ATOM 369 H CYS A 58 -5.691 -8.631 12.947 1.00 0.00 H ATOM 370 N LEU A 59 -5.551 -11.474 14.863 1.00 18.68 N ATOM 371 CA LEU A 59 -5.810 -12.625 15.701 1.00 20.87 C ATOM 372 C LEU A 59 -6.574 -13.750 15.025 1.00 22.02 C ATOM 373 O LEU A 59 -7.002 -14.687 15.692 1.00 22.01 O ATOM 374 CB LEU A 59 -6.472 -12.203 17.004 1.00 21.89 C ATOM 375 CG LEU A 59 -5.542 -11.993 18.202 1.00 22.75 C ATOM 376 CD1 LEU A 59 -4.386 -11.030 17.938 1.00 23.96 C ATOM 377 CD2 LEU A 59 -6.345 -11.536 19.396 1.00 23.29 C ATOM 378 H LEU A 59 -6.295 -10.763 14.712 1.00 0.00 H ATOM 379 N GLU A 60 -6.706 -13.668 13.702 1.00 24.11 N ATOM 380 CA GLU A 60 -7.250 -14.771 12.903 1.00 26.63 C ATOM 381 C GLU A 60 -6.409 -16.027 13.017 1.00 27.34 C ATOM 382 O GLU A 60 -5.189 -15.992 12.836 1.00 28.12 O ATOM 383 CB GLU A 60 -7.365 -14.372 11.440 1.00 27.01 C ATOM 384 CG GLU A 60 -8.655 -13.682 11.133 1.00 28.96 C ATOM 385 CD GLU A 60 -8.701 -13.098 9.741 1.00 30.15 C ATOM 386 OE1 GLU A 60 -7.959 -13.551 8.840 1.00 30.62 O ATOM 387 OE2 GLU A 60 -9.497 -12.167 9.554 1.00 30.99 O ATOM 388 H GLU A 60 -6.414 -12.794 13.220 1.00 0.00 H ATOM 389 N ASP A 61 -7.079 -17.143 13.296 1.00 28.21 N ATOM 390 CA ASP A 61 -6.426 -18.428 13.531 1.00 28.72 C ATOM 391 C ASP A 61 -5.303 -18.348 14.574 1.00 28.61 C ATOM 392 O ASP A 61 -4.395 -19.180 14.585 1.00 29.39 O ATOM 393 CB ASP A 61 -5.931 -19.044 12.215 1.00 29.17 C ATOM 394 CG ASP A 61 -5.550 -20.405 12.108 1.00 30.73 C ATOM 395 OD1 ASP A 61 -5.966 -21.119 13.046 1.00 31.08 O ATOM 396 OD2 ASP A 61 -4.956 -20.880 11.117 1.00 31.22 O ATOM 397 H ASP A 61 -8.117 -17.098 13.349 1.00 0.00 H ATOM 398 N ALA A 61A -5.377 -17.349 15.456 1.00 27.88 N ATOM 399 CA ALA A 61A -4.485 -17.288 16.612 1.00 26.62 C ATOM 400 C ALA A 61A -4.849 -18.410 17.581 1.00 26.11 C ATOM 401 O ALA A 61A -4.009 -18.855 18.382 1.00 25.95 O ATOM 402 CB ALA A 61A -4.582 -15.948 17.294 1.00 26.89 C ATOM 403 H ALA A 61A -6.084 -16.599 15.318 1.00 0.00 H ATOM 404 N ALA A 61B -6.101 -18.869 17.473 1.00 25.44 N ATOM 405 CA ALA A 61B -6.654 -19.956 18.279 1.00 24.83 C ATOM 406 C ALA A 61B -6.367 -19.683 19.751 1.00 23.68 C ATOM 407 O ALA A 61B -6.651 -18.593 20.244 1.00 24.65 O ATOM 408 CB ALA A 61B -6.098 -21.314 17.832 1.00 24.97 C ATOM 409 H ALA A 61B -6.722 -18.423 16.769 1.00 0.00 H ATOM 410 N ASP A 61C -5.785 -20.652 20.445 1.00 22.59 N ATOM 411 CA ASP A 61C -5.495 -20.471 21.860 1.00 20.82 C ATOM 412 C ASP A 61C -4.010 -20.178 22.101 1.00 20.69 C ATOM 413 O ASP A 61C -3.474 -20.478 23.167 1.00 21.56 O ATOM 414 CB ASP A 61C -6.029 -21.659 22.676 1.00 20.48 C ATOM 415 CG ASP A 61C -7.558 -21.749 22.638 1.00 18.74 C ATOM 416 OD1 ASP A 61C -8.234 -20.684 22.643 1.00 19.00 O ATOM 417 OD2 ASP A 61C -8.089 -22.887 22.626 1.00 13.75 O ATOM 418 H ASP A 61C -5.535 -21.546 19.976 1.00 0.00 H ATOM 419 N GLY A 62 -3.362 -19.570 21.100 1.00 20.13 N ATOM 420 CA GLY A 62 -1.982 -19.084 21.224 1.00 18.92 C ATOM 421 C GLY A 62 -1.853 -17.975 22.254 1.00 17.74 C ATOM 422 O GLY A 62 -2.841 -17.323 22.610 1.00 18.75 O ATOM 423 H GLY A 62 -3.857 -19.436 20.195 1.00 0.00 H ATOM 424 N LYS A 63 -0.630 -17.757 22.740 1.00 16.70 N ATOM 425 CA LYS A 63 -0.406 -16.795 23.802 1.00 15.27 C ATOM 426 C LYS A 63 -0.226 -15.421 23.176 1.00 13.74 C ATOM 427 O LYS A 63 0.767 -15.164 22.473 1.00 13.69 O ATOM 428 CB LYS A 63 0.816 -17.157 24.650 1.00 16.51 C ATOM 429 CG LYS A 63 0.930 -16.273 25.868 1.00 19.05 C ATOM 430 CD LYS A 63 2.117 -16.572 26.732 1.00 21.74 C ATOM 431 CE LYS A 63 1.962 -15.928 28.120 1.00 25.35 C ATOM 432 NZ LYS A 63 0.813 -14.959 28.281 1.00 26.90 N ATOM 433 HZ1 LYS A 63 0.928 -14.173 27.610 1.00 0.00 H ATOM 434 HZ2 LYS A 63 -0.083 -15.451 28.090 1.00 0.00 H ATOM 435 HZ3 LYS A 63 0.807 -14.589 29.253 1.00 0.00 H ATOM 436 H LYS A 63 0.177 -18.286 22.351 1.00 0.00 H ATOM 437 N VAL A 64 -1.185 -14.540 23.435 1.00 12.88 N ATOM 438 CA VAL A 64 -1.158 -13.181 22.907 1.00 12.28 C ATOM 439 C VAL A 64 -0.608 -12.263 23.980 1.00 11.02 C ATOM 440 O VAL A 64 -1.127 -12.248 25.105 1.00 11.89 O ATOM 441 CB VAL A 64 -2.562 -12.710 22.469 1.00 13.27 C ATOM 442 CG1 VAL A 64 -2.518 -11.272 21.972 1.00 15.01 C ATOM 443 CG2 VAL A 64 -3.146 -13.657 21.412 1.00 15.69 C ATOM 444 H VAL A 64 -1.983 -14.829 24.035 1.00 0.00 H ATOM 445 N GLN A 65 0.448 -11.526 23.644 1.00 10.70 N ATOM 446 CA GLN A 65 1.036 -10.591 24.576 1.00 10.00 C ATOM 447 C GLN A 65 1.301 -9.282 23.876 1.00 9.21 C ATOM 448 O GLN A 65 1.260 -9.211 22.640 1.00 9.85 O ATOM 449 CB GLN A 65 2.330 -11.157 25.154 1.00 10.50 C ATOM 450 CG GLN A 65 2.064 -12.328 26.071 1.00 12.42 C ATOM 451 CD GLN A 65 3.321 -13.055 26.396 1.00 14.11 C ATOM 452 OE1 GLN A 65 4.015 -13.536 25.508 1.00 14.29 O ATOM 453 NE2 GLN A 65 3.634 -13.141 27.675 1.00 18.26 N ATOM 454 HE22 GLN A 65 3.012 -12.716 28.392 1.00 0.00 H ATOM 455 HE21 GLN A 65 4.503 -13.634 27.966 1.00 0.00 H ATOM 456 H GLN A 65 0.858 -11.625 22.693 1.00 0.00 H ATOM 457 N VAL A 66 1.575 -8.249 24.659 1.00 8.74 N ATOM 458 CA VAL A 66 1.865 -6.946 24.081 1.00 8.58 C ATOM 459 C VAL A 66 3.174 -6.427 24.673 1.00 7.72 C ATOM 460 O VAL A 66 3.287 -6.299 25.890 1.00 8.88 O ATOM 461 CB VAL A 66 0.729 -5.936 24.318 1.00 8.65 C ATOM 462 CG1 VAL A 66 1.124 -4.607 23.696 1.00 11.09 C ATOM 463 CG2 VAL A 66 -0.598 -6.415 23.710 1.00 10.23 C ATOM 464 H VAL A 66 1.583 -8.370 25.692 1.00 0.00 H ATOM 465 N LEU A 67 4.117 -6.096 23.804 1.00 7.77 N ATOM 466 CA LEU A 67 5.374 -5.535 24.232 1.00 7.85 C ATOM 467 C LEU A 67 5.310 -4.011 24.131 1.00 7.50 C ATOM 468 O LEU A 67 5.133 -3.471 23.028 1.00 8.26 O ATOM 469 CB LEU A 67 6.482 -6.096 23.344 1.00 8.90 C ATOM 470 CG LEU A 67 7.896 -5.643 23.685 1.00 9.65 C ATOM 471 CD1 LEU A 67 8.323 -6.208 25.023 1.00 13.11 C ATOM 472 CD2 LEU A 67 8.843 -6.053 22.584 1.00 11.61 C ATOM 473 H LEU A 67 3.947 -6.244 22.789 1.00 0.00 H ATOM 474 N LEU A 68 5.463 -3.347 25.272 1.00 7.74 N ATOM 475 CA LEU A 68 5.495 -1.887 25.361 1.00 8.23 C ATOM 476 C LEU A 68 6.885 -1.415 25.739 1.00 8.35 C ATOM 477 O LEU A 68 7.699 -2.173 26.305 1.00 9.29 O ATOM 478 CB LEU A 68 4.482 -1.384 26.400 1.00 8.49 C ATOM 479 CG LEU A 68 3.013 -1.683 26.106 1.00 9.36 C ATOM 480 CD1 LEU A 68 2.134 -1.129 27.227 1.00 10.41 C ATOM 481 CD2 LEU A 68 2.597 -1.107 24.778 1.00 10.65 C ATOM 482 H LEU A 68 5.566 -3.895 26.150 1.00 0.00 H ATOM 483 N GLY A 69 7.180 -0.160 25.430 1.00 8.11 N ATOM 484 CA GLY A 69 8.443 0.451 25.808 1.00 8.68 C ATOM 485 C GLY A 69 9.628 -0.020 25.010 1.00 8.84 C ATOM 486 O GLY A 69 10.758 0.195 25.428 1.00 9.93 O ATOM 487 H GLY A 69 6.486 0.405 24.900 1.00 0.00 H ATOM 488 N ALA A 70 9.390 -0.664 23.871 1.00 8.67 N ATOM 489 CA ALA A 70 10.449 -1.318 23.108 1.00 8.89 C ATOM 490 C ALA A 70 10.970 -0.511 21.953 1.00 8.18 C ATOM 491 O ALA A 70 10.274 0.273 21.299 1.00 9.46 O ATOM 492 CB ALA A 70 9.948 -2.652 22.591 1.00 9.44 C ATOM 493 H ALA A 70 8.415 -0.703 23.511 1.00 0.00 H ATOM 494 N HIS A 71 12.245 -0.741 21.672 1.00 8.54 N ATOM 495 CA HIS A 71 12.837 -0.374 20.411 1.00 8.99 C ATOM 496 C HIS A 71 13.296 -1.637 19.692 1.00 8.58 C ATOM 497 O HIS A 71 12.803 -1.971 18.604 1.00 9.19 O ATOM 498 CB HIS A 71 13.951 0.659 20.537 1.00 9.12 C ATOM 499 CG HIS A 71 14.420 1.125 19.206 1.00 9.30 C ATOM 500 ND1 HIS A 71 13.564 1.733 18.316 1.00 10.15 N ATOM 501 CD2 HIS A 71 15.622 1.028 18.583 1.00 10.49 C ATOM 502 CE1 HIS A 71 14.224 1.994 17.202 1.00 10.27 C ATOM 503 NE2 HIS A 71 15.476 1.580 17.338 1.00 10.85 N ATOM 504 H HIS A 71 12.840 -1.204 22.389 1.00 0.00 H ATOM 505 N SER A 72 14.207 -2.357 20.331 1.00 9.83 N ATOM 506 CA SER A 72 14.622 -3.668 19.896 1.00 9.37 C ATOM 507 C SER A 72 13.662 -4.755 20.353 1.00 9.19 C ATOM 508 O SER A 72 13.272 -4.783 21.515 1.00 10.70 O ATOM 509 CB SER A 72 16.004 -3.961 20.477 1.00 10.54 C ATOM 510 OG SER A 72 16.372 -5.310 20.252 1.00 10.67 O ATOM 511 HG SER A 72 16.392 -5.487 19.278 1.00 0.00 H ATOM 512 H SER A 72 14.643 -1.958 21.187 1.00 0.00 H ATOM 513 N LEU A 73 13.304 -5.666 19.449 1.00 9.69 N ATOM 514 CA LEU A 73 12.509 -6.826 19.837 1.00 10.83 C ATOM 515 C LEU A 73 13.300 -7.807 20.692 1.00 11.47 C ATOM 516 O LEU A 73 12.727 -8.512 21.517 1.00 13.13 O ATOM 517 CB LEU A 73 11.966 -7.545 18.614 1.00 10.76 C ATOM 518 CG LEU A 73 10.982 -6.740 17.779 1.00 10.31 C ATOM 519 CD1 LEU A 73 10.676 -7.499 16.497 1.00 11.77 C ATOM 520 CD2 LEU A 73 9.688 -6.453 18.562 1.00 12.16 C ATOM 521 H LEU A 73 13.594 -5.549 18.457 1.00 0.00 H ATOM 522 N SER A 74 14.617 -7.851 20.524 1.00 12.21 N ATOM 523 CA SER A 74 15.398 -8.939 21.130 1.00 13.74 C ATOM 524 C SER A 74 16.240 -8.529 22.327 1.00 14.06 C ATOM 525 O SER A 74 16.573 -9.385 23.147 1.00 15.57 O ATOM 526 CB SER A 74 16.299 -9.595 20.079 1.00 14.17 C ATOM 527 OG SER A 74 17.298 -8.687 19.629 1.00 14.47 O ATOM 528 HG SER A 74 16.864 -7.894 19.226 1.00 0.00 H ATOM 529 H SER A 74 15.095 -7.116 19.964 1.00 0.00 H ATOM 530 N GLN A 75 16.582 -7.249 22.424 1.00 12.89 N ATOM 531 CA GLN A 75 17.606 -6.797 23.379 1.00 14.38 C ATOM 532 C GLN A 75 16.963 -6.204 24.632 1.00 15.17 C ATOM 533 O GLN A 75 15.875 -5.624 24.566 1.00 14.73 O ATOM 534 CB GLN A 75 18.568 -5.757 22.736 1.00 14.41 C ATOM 535 CG GLN A 75 19.637 -6.123 21.658 1.00 16.09 C ATOM 536 CD GLN A 75 20.658 -4.948 21.338 1.00 16.39 C ATOM 537 OE1 GLN A 75 21.816 -5.175 20.901 1.00 15.80 O ATOM 538 NE2 GLN A 75 20.228 -3.706 21.577 1.00 17.32 N ATOM 539 HE22 GLN A 75 19.265 -3.549 21.938 1.00 0.00 H ATOM 540 HE21 GLN A 75 20.856 -2.896 21.402 1.00 0.00 H ATOM 541 H GLN A 75 16.115 -6.550 21.811 1.00 0.00 H ATOM 542 N PRO A 76 17.653 -6.325 25.783 1.00 16.91 N ATOM 543 CA PRO A 76 17.109 -5.759 27.012 1.00 17.13 C ATOM 544 C PRO A 76 17.140 -4.235 26.986 1.00 16.05 C ATOM 545 O PRO A 76 18.106 -3.629 26.506 1.00 16.78 O ATOM 546 CB PRO A 76 18.048 -6.298 28.104 1.00 18.91 C ATOM 547 CG PRO A 76 19.282 -6.673 27.428 1.00 19.09 C ATOM 548 CD PRO A 76 18.913 -7.058 26.027 1.00 17.57 C ATOM 549 N GLU A 77 16.056 -3.628 27.457 1.00 14.02 N ATOM 550 CA GLU A 77 15.936 -2.180 27.549 1.00 13.49 C ATOM 551 C GLU A 77 15.178 -1.894 28.835 1.00 14.34 C ATOM 552 O GLU A 77 14.202 -2.576 29.130 1.00 13.75 O ATOM 553 CB GLU A 77 15.157 -1.628 26.340 1.00 13.18 C ATOM 554 CG GLU A 77 15.781 -1.985 25.006 1.00 12.34 C ATOM 555 CD GLU A 77 14.950 -1.617 23.795 1.00 11.82 C ATOM 556 OE1 GLU A 77 13.740 -1.388 23.934 1.00 14.42 O ATOM 557 OE2 GLU A 77 15.511 -1.551 22.683 1.00 13.07 O ATOM 558 H GLU A 77 15.257 -4.214 27.774 1.00 0.00 H ATOM 559 N PRO A 78 15.573 -0.869 29.600 1.00 15.12 N ATOM 560 CA PRO A 78 14.927 -0.656 30.890 1.00 15.16 C ATOM 561 C PRO A 78 13.417 -0.427 30.824 1.00 14.60 C ATOM 562 O PRO A 78 12.700 -0.831 31.736 1.00 14.89 O ATOM 563 CB PRO A 78 15.646 0.591 31.440 1.00 16.48 C ATOM 564 CG PRO A 78 16.956 0.607 30.771 1.00 18.25 C ATOM 565 CD PRO A 78 16.768 -0.018 29.425 1.00 16.42 C ATOM 566 N SER A 79 12.950 0.210 29.754 1.00 14.14 N ATOM 567 CA SER A 79 11.536 0.518 29.601 1.00 13.87 C ATOM 568 C SER A 79 10.719 -0.613 29.000 1.00 12.13 C ATOM 569 O SER A 79 9.487 -0.524 28.953 1.00 12.35 O ATOM 570 CB SER A 79 11.354 1.750 28.722 1.00 14.41 C ATOM 571 OG SER A 79 11.953 1.552 27.449 1.00 14.27 O ATOM 572 HG SER A 79 12.921 1.381 27.564 1.00 0.00 H ATOM 573 H SER A 79 13.614 0.496 29.006 1.00 0.00 H ATOM 574 N LYS A 80 11.370 -1.655 28.490 1.00 11.10 N ATOM 575 CA LYS A 80 10.626 -2.724 27.814 1.00 11.83 C ATOM 576 C LYS A 80 9.906 -3.594 28.794 1.00 11.79 C ATOM 577 O LYS A 80 10.503 -4.060 29.774 1.00 14.48 O ATOM 578 CB LYS A 80 11.576 -3.643 27.068 1.00 14.32 C ATOM 579 CG LYS A 80 11.783 -3.330 25.662 1.00 16.96 C ATOM 580 CD LYS A 80 12.835 -4.237 24.995 1.00 17.12 C ATOM 581 CE LYS A 80 12.441 -5.707 24.809 1.00 15.42 C ATOM 582 NZ LYS A 80 13.393 -6.419 23.855 1.00 13.47 N ATOM 583 HZ1 LYS A 80 13.368 -5.949 22.927 1.00 0.00 H ATOM 584 HZ2 LYS A 80 14.359 -6.381 24.238 1.00 0.00 H ATOM 585 HZ3 LYS A 80 13.099 -7.411 23.750 1.00 0.00 H ATOM 586 H LYS A 80 12.405 -1.712 28.570 1.00 0.00 H ATOM 587 N ARG A 81 8.618 -3.811 28.563 1.00 11.47 N ATOM 588 CA ARG A 81 7.874 -4.780 29.337 1.00 12.41 C ATOM 589 C ARG A 81 6.892 -5.499 28.450 1.00 11.36 C ATOM 590 O ARG A 81 6.227 -4.902 27.589 1.00 10.78 O ATOM 591 CB ARG A 81 7.133 -4.159 30.513 1.00 13.17 C ATOM 592 CG ARG A 81 6.409 -5.222 31.338 1.00 15.18 C ATOM 593 CD ARG A 81 5.750 -4.625 32.556 1.00 18.43 C ATOM 594 NE ARG A 81 5.118 -5.622 33.407 1.00 21.35 N ATOM 595 CZ ARG A 81 4.309 -5.316 34.414 1.00 22.56 C ATOM 596 NH1 ARG A 81 3.771 -6.273 35.154 1.00 23.79 N ATOM 597 NH2 ARG A 81 4.036 -4.045 34.674 1.00 21.85 N ATOM 598 HE ARG A 81 5.310 -6.626 33.216 1.00 0.00 H ATOM 599 HH12 ARG A 81 3.138 -6.027 35.942 1.00 0.00 H ATOM 600 HH11 ARG A 81 3.981 -7.270 34.948 1.00 0.00 H ATOM 601 HH22 ARG A 81 3.403 -3.800 35.462 1.00 0.00 H ATOM 602 HH21 ARG A 81 4.455 -3.293 34.090 1.00 0.00 H ATOM 603 H ARG A 81 8.135 -3.276 27.813 1.00 0.00 H ATOM 604 N LEU A 82 6.814 -6.798 28.680 1.00 11.64 N ATOM 605 CA LEU A 82 5.874 -7.671 27.977 1.00 12.22 C ATOM 606 C LEU A 82 4.668 -7.930 28.854 1.00 12.44 C ATOM 607 O LEU A 82 4.786 -8.512 29.930 1.00 14.75 O ATOM 608 CB LEU A 82 6.590 -8.992 27.633 1.00 12.92 C ATOM 609 CG LEU A 82 5.855 -10.001 26.747 1.00 13.88 C ATOM 610 CD1 LEU A 82 5.583 -9.429 25.367 1.00 14.04 C ATOM 611 CD2 LEU A 82 6.656 -11.285 26.661 1.00 16.77 C ATOM 612 H LEU A 82 7.447 -7.217 29.390 1.00 0.00 H ATOM 613 N TYR A 83 3.507 -7.474 28.399 1.00 11.02 N ATOM 614 CA TYR A 83 2.254 -7.600 29.132 1.00 10.68 C ATOM 615 C TYR A 83 1.441 -8.765 28.626 1.00 10.12 C ATOM 616 O TYR A 83 1.322 -8.999 27.417 1.00 10.38 O ATOM 617 CB TYR A 83 1.426 -6.307 28.990 1.00 11.02 C ATOM 618 CG TYR A 83 2.012 -5.146 29.750 1.00 10.72 C ATOM 619 CD1 TYR A 83 3.023 -4.347 29.200 1.00 11.12 C ATOM 620 CD2 TYR A 83 1.571 -4.847 31.043 1.00 12.09 C ATOM 621 CE1 TYR A 83 3.573 -3.284 29.925 1.00 12.41 C ATOM 622 CE2 TYR A 83 2.111 -3.794 31.762 1.00 12.68 C ATOM 623 CZ TYR A 83 3.119 -3.028 31.214 1.00 12.10 C ATOM 624 OH TYR A 83 3.638 -1.997 31.958 1.00 13.68 O ATOM 625 HH TYR A 83 4.347 -1.541 31.439 1.00 0.00 H ATOM 626 H TYR A 83 3.491 -7.003 27.472 1.00 0.00 H ATOM 627 N ASP A 84 0.831 -9.470 29.563 1.00 11.32 N ATOM 628 CA ASP A 84 -0.198 -10.419 29.210 1.00 11.60 C ATOM 629 C ASP A 84 -1.495 -9.701 28.867 1.00 10.80 C ATOM 630 O ASP A 84 -1.656 -8.519 29.180 1.00 10.83 O ATOM 631 CB ASP A 84 -0.411 -11.380 30.372 1.00 13.08 C ATOM 632 CG ASP A 84 0.844 -12.124 30.733 1.00 16.92 C ATOM 633 OD1 ASP A 84 1.472 -12.675 29.814 1.00 20.94 O ATOM 634 OD2 ASP A 84 1.215 -12.136 31.934 1.00 21.64 O ATOM 635 H ASP A 84 1.094 -9.340 30.561 1.00 0.00 H ATOM 636 N VAL A 85 -2.379 -10.443 28.201 1.00 10.83 N ATOM 637 CA VAL A 85 -3.653 -9.905 27.733 1.00 10.70 C ATOM 638 C VAL A 85 -4.807 -10.602 28.439 1.00 10.52 C ATOM 639 O VAL A 85 -4.959 -11.819 28.347 1.00 12.24 O ATOM 640 CB VAL A 85 -3.785 -10.026 26.192 1.00 11.15 C ATOM 641 CG1 VAL A 85 -5.182 -9.668 25.704 1.00 11.18 C ATOM 642 CG2 VAL A 85 -2.700 -9.174 25.504 1.00 11.81 C ATOM 643 H VAL A 85 -2.154 -11.440 28.008 1.00 0.00 H ATOM 644 N LEU A 86 -5.603 -9.808 29.140 1.00 9.89 N ATOM 645 CA LEU A 86 -6.780 -10.300 29.832 1.00 10.47 C ATOM 646 C LEU A 86 -7.934 -10.598 28.869 1.00 10.60 C ATOM 647 O LEU A 86 -8.623 -11.603 29.040 1.00 11.67 O ATOM 648 CB LEU A 86 -7.213 -9.245 30.860 1.00 11.54 C ATOM 649 CG LEU A 86 -8.430 -9.501 31.750 1.00 12.90 C ATOM 650 CD1 LEU A 86 -8.284 -10.753 32.593 1.00 14.05 C ATOM 651 CD2 LEU A 86 -8.739 -8.304 32.629 1.00 16.52 C ATOM 652 H LEU A 86 -5.376 -8.795 29.196 1.00 0.00 H ATOM 653 N ARG A 87 -8.155 -9.681 27.914 1.00 10.35 N ATOM 654 CA ARG A 87 -9.284 -9.704 26.955 1.00 10.80 C ATOM 655 C ARG A 87 -8.789 -9.320 25.571 1.00 10.67 C ATOM 656 O ARG A 87 -8.051 -8.350 25.445 1.00 10.72 O ATOM 657 CB ARG A 87 -10.385 -8.676 27.334 1.00 10.84 C ATOM 658 CG ARG A 87 -11.248 -9.093 28.490 1.00 11.21 C ATOM 659 CD ARG A 87 -12.360 -8.093 28.782 1.00 11.87 C ATOM 660 NE ARG A 87 -13.265 -8.591 29.819 1.00 13.64 N ATOM 661 CZ ARG A 87 -13.106 -8.368 31.117 1.00 14.50 C ATOM 662 NH1 ARG A 87 -13.982 -8.862 31.982 1.00 14.28 N ATOM 663 NH2 ARG A 87 -12.074 -7.658 31.554 1.00 15.05 N ATOM 664 HE ARG A 87 -14.085 -9.156 29.519 1.00 0.00 H ATOM 665 HH12 ARG A 87 -13.861 -8.690 33.000 1.00 0.00 H ATOM 666 HH11 ARG A 87 -14.790 -9.422 31.642 1.00 0.00 H ATOM 667 HH22 ARG A 87 -11.955 -7.487 32.573 1.00 0.00 H ATOM 668 HH21 ARG A 87 -11.384 -7.273 30.878 1.00 0.00 H ATOM 669 H ARG A 87 -7.481 -8.892 27.842 1.00 0.00 H ATOM 670 N ALA A 88 -9.191 -10.065 24.544 1.00 10.50 N ATOM 671 CA ALA A 88 -9.032 -9.609 23.165 1.00 10.34 C ATOM 672 C ALA A 88 -10.432 -9.390 22.606 1.00 10.68 C ATOM 673 O ALA A 88 -11.267 -10.300 22.637 1.00 13.08 O ATOM 674 CB ALA A 88 -8.312 -10.644 22.336 1.00 11.99 C ATOM 675 H ALA A 88 -9.627 -10.991 24.727 1.00 0.00 H ATOM 676 N VAL A 89 -10.700 -8.185 22.117 1.00 9.48 N ATOM 677 CA VAL A 89 -12.028 -7.797 21.667 1.00 10.06 C ATOM 678 C VAL A 89 -11.975 -7.331 20.203 1.00 9.55 C ATOM 679 O VAL A 89 -11.724 -6.164 19.933 1.00 9.73 O ATOM 680 CB VAL A 89 -12.595 -6.678 22.549 1.00 10.64 C ATOM 681 CG1 VAL A 89 -14.066 -6.427 22.208 1.00 12.34 C ATOM 682 CG2 VAL A 89 -12.466 -7.015 24.045 1.00 12.57 C ATOM 683 H VAL A 89 -9.929 -7.490 22.053 1.00 0.00 H ATOM 684 N PRO A 90 -12.229 -8.249 19.257 1.00 10.19 N ATOM 685 CA PRO A 90 -12.303 -7.817 17.868 1.00 10.87 C ATOM 686 C PRO A 90 -13.602 -7.066 17.616 1.00 10.06 C ATOM 687 O PRO A 90 -14.604 -7.330 18.271 1.00 11.66 O ATOM 688 CB PRO A 90 -12.261 -9.136 17.089 1.00 12.32 C ATOM 689 CG PRO A 90 -12.808 -10.150 18.011 1.00 14.31 C ATOM 690 CD PRO A 90 -12.458 -9.698 19.404 1.00 12.14 C ATOM 691 N HIS A 91 -13.612 -6.144 16.674 1.00 10.54 N ATOM 692 CA HIS A 91 -14.876 -5.511 16.323 1.00 10.10 C ATOM 693 C HIS A 91 -15.904 -6.574 15.891 1.00 10.38 C ATOM 694 O HIS A 91 -15.595 -7.445 15.100 1.00 10.92 O ATOM 695 CB HIS A 91 -14.664 -4.506 15.207 1.00 10.17 C ATOM 696 CG HIS A 91 -15.820 -3.598 15.018 1.00 9.51 C ATOM 697 ND1 HIS A 91 -17.018 -4.013 14.480 1.00 11.10 N ATOM 698 CD2 HIS A 91 -15.967 -2.300 15.353 1.00 10.87 C ATOM 699 CE1 HIS A 91 -17.850 -2.989 14.476 1.00 11.81 C ATOM 700 NE2 HIS A 91 -17.238 -1.938 14.993 1.00 11.60 N ATOM 701 H HIS A 91 -12.732 -5.873 16.190 1.00 0.00 H ATOM 702 N PRO A 92 -17.148 -6.502 16.404 1.00 10.81 N ATOM 703 CA PRO A 92 -18.152 -7.532 16.115 1.00 11.90 C ATOM 704 C PRO A 92 -18.495 -7.675 14.638 1.00 12.46 C ATOM 705 O PRO A 92 -18.970 -8.736 14.247 1.00 14.74 O ATOM 706 CB PRO A 92 -19.371 -7.067 16.904 1.00 13.27 C ATOM 707 CG PRO A 92 -18.917 -6.175 17.918 1.00 14.16 C ATOM 708 CD PRO A 92 -17.635 -5.545 17.413 1.00 11.64 C ATOM 709 N ASP A 93 -18.288 -6.637 13.842 1.00 11.78 N ATOM 710 CA ASP A 93 -18.659 -6.691 12.442 1.00 12.40 C ATOM 711 C ASP A 93 -17.460 -7.042 11.547 1.00 12.03 C ATOM 712 O ASP A 93 -17.600 -7.081 10.322 1.00 13.36 O ATOM 713 CB ASP A 93 -19.281 -5.368 12.002 1.00 12.62 C ATOM 714 CG ASP A 93 -20.611 -5.083 12.669 1.00 12.92 C ATOM 715 OD1 ASP A 93 -21.562 -5.869 12.501 1.00 14.12 O ATOM 716 OD2 ASP A 93 -20.741 -4.045 13.357 1.00 15.11 O ATOM 717 H ASP A 93 -17.854 -5.773 14.226 1.00 0.00 H ATOM 718 N SER A 94 -16.280 -7.276 12.136 1.00 12.13 N ATOM 719 CA SER A 94 -15.132 -7.712 11.345 1.00 13.02 C ATOM 720 C SER A 94 -15.376 -9.107 10.804 1.00 14.30 C ATOM 721 O SER A 94 -16.084 -9.902 11.417 1.00 15.63 O ATOM 722 CB SER A 94 -13.835 -7.656 12.162 1.00 12.80 C ATOM 723 OG SER A 94 -13.900 -8.514 13.289 1.00 14.70 O ATOM 724 HG SER A 94 -14.652 -8.237 13.870 1.00 0.00 H ATOM 725 H SER A 94 -16.181 -7.146 13.163 1.00 0.00 H ATOM 726 N GLN A 95 -14.793 -9.392 9.646 1.00 16.12 N ATOM 727 CA GLN A 95 -14.910 -10.697 8.976 1.00 18.84 C ATOM 728 C GLN A 95 -13.609 -11.031 8.267 1.00 20.37 C ATOM 729 O GLN A 95 -12.967 -10.133 7.727 1.00 20.03 O ATOM 730 CB GLN A 95 -16.012 -10.674 7.919 1.00 19.63 C ATOM 731 CG GLN A 95 -17.429 -10.667 8.446 1.00 22.83 C ATOM 732 CD GLN A 95 -18.447 -10.589 7.327 1.00 25.34 C ATOM 733 OE1 GLN A 95 -19.173 -11.550 7.068 1.00 28.52 O ATOM 734 NE2 GLN A 95 -18.504 -9.448 6.649 1.00 26.36 N ATOM 735 HE22 GLN A 95 -17.872 -8.661 6.901 1.00 0.00 H ATOM 736 HE21 GLN A 95 -19.180 -9.342 5.866 1.00 0.00 H ATOM 737 H GLN A 95 -14.223 -8.653 9.187 1.00 0.00 H ATOM 738 N PRO A 96 -13.223 -12.329 8.246 1.00 22.35 N ATOM 739 CA PRO A 96 -12.031 -12.779 7.518 1.00 23.76 C ATOM 740 C PRO A 96 -11.898 -12.318 6.060 1.00 24.70 C ATOM 741 O PRO A 96 -10.788 -12.053 5.615 1.00 25.84 O ATOM 742 CB PRO A 96 -12.132 -14.303 7.608 1.00 24.17 C ATOM 743 CG PRO A 96 -12.729 -14.516 8.950 1.00 24.12 C ATOM 744 CD PRO A 96 -13.764 -13.413 9.091 1.00 22.99 C ATOM 745 N ASP A 97 -12.988 -12.212 5.313 1.00 25.46 N ATOM 746 CA ASP A 97 -12.817 -11.884 3.892 1.00 26.15 C ATOM 747 C ASP A 97 -13.048 -10.418 3.512 1.00 24.65 C ATOM 748 O ASP A 97 -13.196 -10.090 2.332 1.00 25.08 O ATOM 749 CB ASP A 97 -13.621 -12.845 2.999 1.00 27.50 C ATOM 750 CG ASP A 97 -12.976 -14.228 2.890 1.00 30.65 C ATOM 751 OD1 ASP A 97 -11.726 -14.331 2.958 1.00 32.96 O ATOM 752 OD2 ASP A 97 -13.723 -15.218 2.727 1.00 34.02 O ATOM 753 H ASP A 97 -13.934 -12.357 5.720 1.00 0.00 H ATOM 754 N THR A 98 -13.048 -9.525 4.502 1.00 22.66 N ATOM 755 CA THR A 98 -13.285 -8.104 4.227 1.00 20.48 C ATOM 756 C THR A 98 -12.246 -7.222 4.910 1.00 18.90 C ATOM 757 O THR A 98 -11.578 -7.665 5.834 1.00 18.66 O ATOM 758 CB THR A 98 -14.669 -7.646 4.708 1.00 20.45 C ATOM 759 OG1 THR A 98 -14.615 -7.386 6.114 1.00 21.29 O ATOM 760 CG2 THR A 98 -15.750 -8.691 4.399 1.00 21.11 C ATOM 761 HG1 THR A 98 -15.506 -7.090 6.428 1.00 0.00 H ATOM 762 H THR A 98 -12.878 -9.839 5.479 1.00 0.00 H ATOM 763 N ILE A 99 -12.145 -5.973 4.457 1.00 17.44 N ATOM 764 CA ILE A 99 -11.263 -4.981 5.072 1.00 16.10 C ATOM 765 C ILE A 99 -12.018 -4.054 6.028 1.00 14.63 C ATOM 766 O ILE A 99 -11.448 -3.105 6.576 1.00 14.85 O ATOM 767 CB ILE A 99 -10.483 -4.161 3.993 1.00 16.45 C ATOM 768 CG1 ILE A 99 -11.434 -3.323 3.121 1.00 17.08 C ATOM 769 CG2 ILE A 99 -9.612 -5.105 3.141 1.00 19.26 C ATOM 770 CD1 ILE A 99 -10.717 -2.326 2.191 1.00 19.50 C ATOM 771 H ILE A 99 -12.716 -5.692 3.634 1.00 0.00 H ATOM 772 N ASP A 100 -13.293 -4.358 6.252 1.00 12.77 N ATOM 773 CA ASP A 100 -14.169 -3.463 7.003 1.00 12.09 C ATOM 774 C ASP A 100 -14.114 -3.759 8.497 1.00 10.21 C ATOM 775 O ASP A 100 -14.051 -4.914 8.911 1.00 11.08 O ATOM 776 CB ASP A 100 -15.612 -3.524 6.489 1.00 12.47 C ATOM 777 CG ASP A 100 -15.705 -3.212 5.011 1.00 14.52 C ATOM 778 OD1 ASP A 100 -15.198 -2.161 4.559 1.00 16.31 O ATOM 779 OD2 ASP A 100 -16.241 -4.052 4.275 1.00 19.36 O ATOM 780 H ASP A 100 -13.675 -5.253 5.884 1.00 0.00 H ATOM 781 N HIS A 101 -14.175 -2.704 9.297 1.00 10.14 N ATOM 782 CA HIS A 101 -14.281 -2.828 10.763 1.00 9.45 C ATOM 783 C HIS A 101 -13.090 -3.604 11.332 1.00 9.60 C ATOM 784 O HIS A 101 -13.221 -4.363 12.295 1.00 9.97 O ATOM 785 CB HIS A 101 -15.613 -3.454 11.171 1.00 10.54 C ATOM 786 CG HIS A 101 -16.744 -3.006 10.306 1.00 12.07 C ATOM 787 ND1 HIS A 101 -17.041 -1.673 10.105 1.00 13.04 N ATOM 788 CD2 HIS A 101 -17.595 -3.710 9.527 1.00 13.42 C ATOM 789 CE1 HIS A 101 -18.058 -1.581 9.265 1.00 14.87 C ATOM 790 NE2 HIS A 101 -18.410 -2.800 8.901 1.00 14.58 N ATOM 791 H HIS A 101 -14.147 -1.754 8.876 1.00 0.00 H ATOM 792 N ASP A 102 -11.920 -3.404 10.743 1.00 9.45 N ATOM 793 CA ASP A 102 -10.762 -4.232 11.063 1.00 9.32 C ATOM 794 C ASP A 102 -10.000 -3.701 12.279 1.00 9.30 C ATOM 795 O ASP A 102 -8.805 -3.336 12.194 1.00 9.90 O ATOM 796 CB ASP A 102 -9.872 -4.311 9.836 1.00 10.31 C ATOM 797 CG ASP A 102 -8.744 -5.333 9.974 1.00 10.54 C ATOM 798 OD1 ASP A 102 -8.803 -6.209 10.861 1.00 11.76 O ATOM 799 OD2 ASP A 102 -7.793 -5.257 9.170 1.00 14.05 O ATOM 800 H ASP A 102 -11.825 -2.643 10.040 1.00 0.00 H ATOM 801 N LEU A 103 -10.673 -3.700 13.419 1.00 8.77 N ATOM 802 CA LEU A 103 -10.100 -3.211 14.667 1.00 8.65 C ATOM 803 C LEU A 103 -10.173 -4.262 15.750 1.00 7.37 C ATOM 804 O LEU A 103 -11.099 -5.086 15.781 1.00 8.18 O ATOM 805 CB LEU A 103 -10.827 -1.940 15.142 1.00 9.00 C ATOM 806 CG LEU A 103 -10.675 -0.708 14.257 1.00 9.13 C ATOM 807 CD1 LEU A 103 -11.455 0.455 14.853 1.00 11.38 C ATOM 808 CD2 LEU A 103 -9.248 -0.286 14.040 1.00 9.93 C ATOM 809 H LEU A 103 -11.648 -4.062 13.424 1.00 0.00 H ATOM 810 N LEU A 104 -9.206 -4.180 16.664 1.00 7.31 N ATOM 811 CA LEU A 104 -9.049 -5.108 17.768 1.00 8.02 C ATOM 812 C LEU A 104 -8.632 -4.316 18.984 1.00 7.05 C ATOM 813 O LEU A 104 -7.658 -3.571 18.895 1.00 8.26 O ATOM 814 CB LEU A 104 -7.947 -6.113 17.424 1.00 9.64 C ATOM 815 CG LEU A 104 -7.440 -7.070 18.496 1.00 10.19 C ATOM 816 CD1 LEU A 104 -8.614 -7.974 18.884 1.00 12.13 C ATOM 817 CD2 LEU A 104 -6.249 -7.853 17.989 1.00 11.98 C ATOM 818 H LEU A 104 -8.521 -3.402 16.580 1.00 0.00 H ATOM 819 N LEU A 105 -9.292 -4.521 20.116 1.00 7.37 N ATOM 820 CA LEU A 105 -8.838 -3.942 21.370 1.00 7.64 C ATOM 821 C LEU A 105 -8.321 -5.024 22.291 1.00 8.05 C ATOM 822 O LEU A 105 -9.000 -6.034 22.514 1.00 9.52 O ATOM 823 CB LEU A 105 -9.952 -3.127 22.021 1.00 8.29 C ATOM 824 CG LEU A 105 -10.072 -1.716 21.472 1.00 8.64 C ATOM 825 CD1 LEU A 105 -11.408 -1.112 21.837 1.00 10.14 C ATOM 826 CD2 LEU A 105 -8.950 -0.823 21.964 1.00 9.11 C ATOM 827 H LEU A 105 -10.151 -5.107 20.106 1.00 0.00 H ATOM 828 N LEU A 106 -7.129 -4.804 22.836 1.00 7.66 N ATOM 829 CA LEU A 106 -6.486 -5.742 23.748 1.00 8.03 C ATOM 830 C LEU A 106 -6.415 -5.102 25.120 1.00 7.85 C ATOM 831 O LEU A 106 -5.803 -4.042 25.280 1.00 8.98 O ATOM 832 CB LEU A 106 -5.070 -6.080 23.260 1.00 8.59 C ATOM 833 CG LEU A 106 -5.011 -6.702 21.874 1.00 8.51 C ATOM 834 CD1 LEU A 106 -3.579 -6.775 21.362 1.00 11.60 C ATOM 835 CD2 LEU A 106 -5.649 -8.073 21.845 1.00 12.33 C ATOM 836 H LEU A 106 -6.632 -3.921 22.601 1.00 0.00 H ATOM 837 N GLN A 107 -7.063 -5.741 26.092 1.00 8.27 N ATOM 838 CA GLN A 107 -6.999 -5.292 27.482 1.00 9.10 C ATOM 839 C GLN A 107 -5.803 -5.960 28.133 1.00 8.90 C ATOM 840 O GLN A 107 -5.762 -7.182 28.248 1.00 9.69 O ATOM 841 CB GLN A 107 -8.267 -5.631 28.253 1.00 10.17 C ATOM 842 CG GLN A 107 -8.305 -4.956 29.613 1.00 12.14 C ATOM 843 CD GLN A 107 -9.529 -5.317 30.381 1.00 13.73 C ATOM 844 OE1 GLN A 107 -10.183 -6.285 30.053 1.00 17.80 O ATOM 845 NE2 GLN A 107 -9.833 -4.556 31.408 1.00 17.90 N ATOM 846 HE22 GLN A 107 -9.236 -3.738 31.644 1.00 0.00 H ATOM 847 HE21 GLN A 107 -10.671 -4.772 31.985 1.00 0.00 H ATOM 848 H GLN A 107 -7.629 -6.581 25.856 1.00 0.00 H ATOM 849 N LEU A 108 -4.838 -5.150 28.553 1.00 9.04 N ATOM 850 CA LEU A 108 -3.681 -5.691 29.240 1.00 9.26 C ATOM 851 C LEU A 108 -4.098 -6.256 30.599 1.00 9.43 C ATOM 852 O LEU A 108 -5.099 -5.856 31.190 1.00 10.50 O ATOM 853 CB LEU A 108 -2.657 -4.582 29.440 1.00 9.70 C ATOM 854 CG LEU A 108 -2.208 -3.815 28.190 1.00 10.30 C ATOM 855 CD1 LEU A 108 -1.204 -2.747 28.557 1.00 11.62 C ATOM 856 CD2 LEU A 108 -1.704 -4.766 27.094 1.00 12.16 C ATOM 857 H LEU A 108 -4.912 -4.126 28.389 1.00 0.00 H ATOM 858 N SER A 109 -3.291 -7.165 31.125 1.00 9.98 N ATOM 859 CA SER A 109 -3.642 -7.768 32.411 1.00 11.11 C ATOM 860 C SER A 109 -3.621 -6.794 33.572 1.00 10.56 C ATOM 861 O SER A 109 -4.279 -7.009 34.569 1.00 12.00 O ATOM 862 CB SER A 109 -2.788 -8.976 32.677 1.00 12.84 C ATOM 863 OG SER A 109 -1.474 -8.531 32.893 1.00 14.45 O ATOM 864 HG SER A 109 -0.888 -9.309 33.071 1.00 0.00 H ATOM 865 H SER A 109 -2.420 -7.446 30.631 1.00 0.00 H ATOM 866 N GLU A 110 -2.868 -5.712 33.432 1.00 11.33 N ATOM 867 CA GLU A 110 -2.916 -4.624 34.389 1.00 12.96 C ATOM 868 C GLU A 110 -2.585 -3.346 33.635 1.00 11.91 C ATOM 869 O GLU A 110 -2.074 -3.404 32.514 1.00 11.89 O ATOM 870 CB GLU A 110 -1.959 -4.840 35.563 1.00 14.33 C ATOM 871 CG GLU A 110 -0.523 -4.984 35.186 1.00 16.85 C ATOM 872 CD GLU A 110 0.359 -5.162 36.423 1.00 21.09 C ATOM 873 OE1 GLU A 110 -0.026 -4.687 37.515 1.00 24.42 O ATOM 874 OE2 GLU A 110 1.431 -5.778 36.299 1.00 23.96 O ATOM 875 H GLU A 110 -2.227 -5.642 32.616 1.00 0.00 H ATOM 876 N LYS A 111 -2.869 -2.204 34.252 1.00 12.68 N ATOM 877 CA LYS A 111 -2.501 -0.935 33.649 1.00 12.89 C ATOM 878 C LYS A 111 -1.001 -0.902 33.392 1.00 12.09 C ATOM 879 O LYS A 111 -0.199 -1.356 34.228 1.00 13.62 O ATOM 880 CB LYS A 111 -2.913 0.245 34.534 1.00 14.83 C ATOM 881 CG LYS A 111 -4.417 0.436 34.696 1.00 18.66 C ATOM 882 CD LYS A 111 -4.721 1.555 35.701 1.00 24.16 C ATOM 883 CE LYS A 111 -6.138 1.429 36.242 1.00 27.25 C ATOM 884 NZ LYS A 111 -6.405 2.369 37.369 1.00 30.01 N ATOM 885 HZ1 LYS A 111 -5.745 2.170 38.148 1.00 0.00 H ATOM 886 HZ2 LYS A 111 -6.272 3.347 37.042 1.00 0.00 H ATOM 887 HZ3 LYS A 111 -7.383 2.242 37.700 1.00 0.00 H ATOM 888 H LYS A 111 -3.357 -2.219 35.170 1.00 0.00 H ATOM 889 N ALA A 112 -0.625 -0.355 32.246 1.00 11.14 N ATOM 890 CA ALA A 112 0.786 -0.206 31.912 1.00 11.60 C ATOM 891 C ALA A 112 1.470 0.785 32.833 1.00 11.80 C ATOM 892 O ALA A 112 0.894 1.796 33.202 1.00 13.20 O ATOM 893 CB ALA A 112 0.932 0.244 30.483 1.00 12.09 C ATOM 894 H ALA A 112 -1.348 -0.027 31.574 1.00 0.00 H ATOM 895 N THR A 113 2.717 0.484 33.178 1.00 12.50 N ATOM 896 CA THR A 113 3.578 1.430 33.873 1.00 13.43 C ATOM 897 C THR A 113 3.996 2.521 32.903 1.00 12.19 C ATOM 898 O THR A 113 4.647 2.256 31.900 1.00 13.09 O ATOM 899 CB THR A 113 4.832 0.717 34.411 1.00 14.54 C ATOM 900 OG1 THR A 113 4.444 -0.373 35.251 1.00 17.93 O ATOM 901 CG2 THR A 113 5.728 1.677 35.197 1.00 16.11 C ATOM 902 HG1 THR A 113 5.253 -0.828 35.594 1.00 0.00 H ATOM 903 H THR A 113 3.090 -0.458 32.944 1.00 0.00 H ATOM 904 N LEU A 114 3.596 3.748 33.195 1.00 12.73 N ATOM 905 CA LEU A 114 3.832 4.853 32.274 1.00 13.14 C ATOM 906 C LEU A 114 5.138 5.557 32.602 1.00 13.70 C ATOM 907 O LEU A 114 5.602 5.542 33.742 1.00 15.39 O ATOM 908 CB LEU A 114 2.672 5.846 32.291 1.00 14.15 C ATOM 909 CG LEU A 114 1.298 5.243 31.980 1.00 14.43 C ATOM 910 CD1 LEU A 114 0.264 6.343 31.837 1.00 16.86 C ATOM 911 CD2 LEU A 114 1.312 4.360 30.723 1.00 13.56 C ATOM 912 H LEU A 114 3.106 3.927 34.095 1.00 0.00 H ATOM 913 N GLY A 115 5.730 6.187 31.603 1.00 13.65 N ATOM 914 CA GLY A 115 6.957 6.955 31.778 1.00 14.57 C ATOM 915 C GLY A 115 7.305 7.548 30.432 1.00 14.55 C ATOM 916 O GLY A 115 6.490 7.500 29.495 1.00 14.48 O ATOM 917 H GLY A 115 5.305 6.133 30.656 1.00 0.00 H ATOM 918 N PRO A 118 8.517 8.080 30.300 1.00 15.01 N ATOM 919 CA PRO A 118 8.895 8.732 29.053 1.00 14.79 C ATOM 920 C PRO A 118 8.847 7.819 27.826 1.00 14.05 C ATOM 921 O PRO A 118 8.656 8.312 26.708 1.00 14.79 O ATOM 922 CB PRO A 118 10.329 9.208 29.321 1.00 15.66 C ATOM 923 CG PRO A 118 10.373 9.413 30.789 1.00 17.67 C ATOM 924 CD PRO A 118 9.532 8.296 31.350 1.00 15.48 C ATOM 925 N ALA A 119 8.982 6.510 28.036 1.00 12.64 N ATOM 926 CA ALA A 119 9.008 5.547 26.940 1.00 11.31 C ATOM 927 C ALA A 119 7.712 4.753 26.775 1.00 10.50 C ATOM 928 O ALA A 119 7.613 3.933 25.860 1.00 10.79 O ATOM 929 CB ALA A 119 10.180 4.592 27.107 1.00 12.12 C ATOM 930 H ALA A 119 9.072 6.164 29.013 1.00 0.00 H ATOM 931 N VAL A 120 6.739 4.967 27.660 1.00 10.24 N ATOM 932 CA VAL A 120 5.447 4.289 27.587 1.00 9.98 C ATOM 933 C VAL A 120 4.341 5.268 27.959 1.00 10.11 C ATOM 934 O VAL A 120 4.230 5.687 29.109 1.00 10.93 O ATOM 935 CB VAL A 120 5.373 3.043 28.532 1.00 9.92 C ATOM 936 CG1 VAL A 120 4.041 2.355 28.380 1.00 11.35 C ATOM 937 CG2 VAL A 120 6.460 2.061 28.236 1.00 10.37 C ATOM 938 H VAL A 120 6.906 5.643 28.433 1.00 0.00 H ATOM 939 N ARG A 121 3.546 5.651 26.975 1.00 10.28 N ATOM 940 CA ARG A 121 2.491 6.647 27.187 1.00 11.56 C ATOM 941 C ARG A 121 1.418 6.468 26.136 1.00 10.18 C ATOM 942 O ARG A 121 1.735 6.324 24.966 1.00 10.47 O ATOM 943 CB ARG A 121 3.079 8.045 27.013 1.00 12.79 C ATOM 944 CG ARG A 121 2.161 9.209 27.299 1.00 18.24 C ATOM 945 CD ARG A 121 1.950 9.475 28.775 1.00 24.27 C ATOM 946 NE ARG A 121 3.192 9.618 29.531 1.00 26.23 N ATOM 947 CZ ARG A 121 3.244 9.647 30.860 1.00 27.60 C ATOM 948 NH1 ARG A 121 2.123 9.550 31.567 1.00 28.00 N ATOM 949 NH2 ARG A 121 4.411 9.773 31.485 1.00 28.75 N ATOM 950 HE ARG A 121 4.083 9.702 29.002 1.00 0.00 H ATOM 951 HH12 ARG A 121 2.160 9.572 32.606 1.00 0.00 H ATOM 952 HH11 ARG A 121 1.209 9.452 31.081 1.00 0.00 H ATOM 953 HH22 ARG A 121 4.445 9.795 32.524 1.00 0.00 H ATOM 954 HH21 ARG A 121 5.290 9.850 30.935 1.00 0.00 H ATOM 955 H ARG A 121 3.672 5.237 26.029 1.00 0.00 H ATOM 956 N PRO A 122 0.134 6.505 26.534 1.00 9.76 N ATOM 957 CA PRO A 122 -0.917 6.440 25.525 1.00 9.73 C ATOM 958 C PRO A 122 -0.891 7.640 24.575 1.00 9.46 C ATOM 959 O PRO A 122 -0.497 8.735 24.961 1.00 11.20 O ATOM 960 CB PRO A 122 -2.196 6.438 26.346 1.00 11.22 C ATOM 961 CG PRO A 122 -1.784 5.966 27.708 1.00 12.80 C ATOM 962 CD PRO A 122 -0.425 6.562 27.889 1.00 11.56 C ATOM 963 N LEU A 123 -1.323 7.407 23.337 1.00 9.55 N ATOM 964 CA LEU A 123 -1.395 8.453 22.326 1.00 10.00 C ATOM 965 C LEU A 123 -2.805 9.015 22.277 1.00 9.54 C ATOM 966 O LEU A 123 -3.741 8.234 22.176 1.00 10.16 O ATOM 967 CB LEU A 123 -1.078 7.840 20.970 1.00 11.28 C ATOM 968 CG LEU A 123 -1.065 8.780 19.773 1.00 12.52 C ATOM 969 CD1 LEU A 123 0.026 9.837 19.960 1.00 14.52 C ATOM 970 CD2 LEU A 123 -0.813 7.999 18.505 1.00 13.91 C ATOM 971 H LEU A 123 -1.620 6.443 23.083 1.00 0.00 H ATOM 972 N PRO A 124 -2.981 10.357 22.283 1.00 9.23 N ATOM 973 CA PRO A 124 -4.336 10.900 22.044 1.00 9.79 C ATOM 974 C PRO A 124 -4.848 10.448 20.694 1.00 9.28 C ATOM 975 O PRO A 124 -4.078 10.353 19.730 1.00 9.29 O ATOM 976 CB PRO A 124 -4.109 12.416 22.038 1.00 10.73 C ATOM 977 CG PRO A 124 -2.861 12.615 22.822 1.00 12.89 C ATOM 978 CD PRO A 124 -1.996 11.438 22.461 1.00 11.04 C ATOM 979 N TRP A 124A -6.147 10.186 20.617 1.00 8.86 N ATOM 980 CA TRP A 124A -6.738 9.645 19.399 1.00 8.99 C ATOM 981 C TRP A 124A -7.949 10.463 18.962 1.00 8.93 C ATOM 982 O TRP A 124A -8.646 11.075 19.765 1.00 9.60 O ATOM 983 CB TRP A 124A -7.028 8.158 19.545 1.00 9.27 C ATOM 984 CG TRP A 124A -7.969 7.753 20.601 1.00 10.45 C ATOM 985 CD1 TRP A 124A -7.679 7.482 21.916 1.00 11.51 C ATOM 986 CD2 TRP A 124A -9.374 7.510 20.440 1.00 11.18 C ATOM 987 NE1 TRP A 124A -8.826 7.092 22.571 1.00 12.32 N ATOM 988 CE2 TRP A 124A -9.880 7.101 21.688 1.00 11.61 C ATOM 989 CE3 TRP A 124A -10.255 7.611 19.352 1.00 11.61 C ATOM 990 CZ2 TRP A 124A -11.224 6.791 21.877 1.00 12.39 C ATOM 991 CZ3 TRP A 124A -11.579 7.288 19.540 1.00 12.72 C ATOM 992 CH2 TRP A 124A -12.052 6.904 20.795 1.00 12.82 C ATOM 993 HE1 TRP A 124A -8.886 6.831 23.576 1.00 0.00 H ATOM 994 H TRP A 124A -6.754 10.370 21.441 1.00 0.00 H ATOM 995 N GLN A 125 -8.157 10.494 17.656 1.00 8.99 N ATOM 996 CA GLN A 125 -9.149 11.357 17.047 1.00 9.93 C ATOM 997 C GLN A 125 -10.580 10.893 17.260 1.00 10.31 C ATOM 998 O GLN A 125 -10.947 9.794 16.879 1.00 11.10 O ATOM 999 CB GLN A 125 -8.877 11.419 15.545 1.00 9.74 C ATOM 1000 CG GLN A 125 -9.742 12.444 14.815 1.00 10.56 C ATOM 1001 CD GLN A 125 -9.558 13.826 15.355 1.00 11.30 C ATOM 1002 OE1 GLN A 125 -10.361 14.299 16.172 1.00 12.31 O ATOM 1003 NE2 GLN A 125 -8.464 14.476 14.960 1.00 13.75 N ATOM 1004 HE22 GLN A 125 -7.819 14.038 14.272 1.00 0.00 H ATOM 1005 HE21 GLN A 125 -8.255 15.421 15.340 1.00 0.00 H ATOM 1006 H GLN A 125 -7.587 9.876 17.044 1.00 0.00 H ATOM 1007 N ARG A 126 -11.407 11.757 17.836 1.00 11.46 N ATOM 1008 CA ARG A 126 -12.835 11.450 17.961 1.00 14.22 C ATOM 1009 C ARG A 126 -13.713 12.294 17.047 1.00 13.63 C ATOM 1010 O ARG A 126 -14.906 12.011 16.920 1.00 16.44 O ATOM 1011 CB ARG A 126 -13.289 11.625 19.390 1.00 16.00 C ATOM 1012 CG ARG A 126 -12.684 10.622 20.317 1.00 17.96 C ATOM 1013 CD ARG A 126 -12.801 11.154 21.696 1.00 21.05 C ATOM 1014 NE ARG A 126 -12.338 10.259 22.745 1.00 19.85 N ATOM 1015 CZ ARG A 126 -11.069 10.115 23.134 1.00 17.06 C ATOM 1016 NH1 ARG A 126 -10.068 10.726 22.489 1.00 18.00 N ATOM 1017 NH2 ARG A 126 -10.793 9.304 24.147 1.00 21.01 N ATOM 1018 HE ARG A 126 -13.055 9.684 23.232 1.00 0.00 H ATOM 1019 HH12 ARG A 126 -9.087 10.598 22.811 1.00 0.00 H ATOM 1020 HH11 ARG A 126 -10.271 11.328 21.666 1.00 0.00 H ATOM 1021 HH22 ARG A 126 -9.809 9.181 24.462 1.00 0.00 H ATOM 1022 HH21 ARG A 126 -11.560 8.791 24.626 1.00 0.00 H ATOM 1023 H ARG A 126 -11.039 12.659 18.201 1.00 0.00 H ATOM 1024 N VAL A 127 -13.163 13.332 16.431 1.00 13.17 N ATOM 1025 CA VAL A 127 -13.963 14.173 15.538 1.00 13.86 C ATOM 1026 C VAL A 127 -13.974 13.463 14.192 1.00 13.06 C ATOM 1027 O VAL A 127 -12.916 13.284 13.574 1.00 12.52 O ATOM 1028 CB VAL A 127 -13.361 15.576 15.412 1.00 14.72 C ATOM 1029 CG1 VAL A 127 -14.136 16.401 14.411 1.00 16.75 C ATOM 1030 CG2 VAL A 127 -13.288 16.259 16.778 1.00 16.72 C ATOM 1031 H VAL A 127 -12.158 13.550 16.583 1.00 0.00 H ATOM 1032 N ASP A 128 -15.161 13.056 13.747 1.00 12.42 N ATOM 1033 CA ASP A 128 -15.285 12.248 12.554 1.00 12.43 C ATOM 1034 C ASP A 128 -15.324 13.142 11.319 1.00 12.91 C ATOM 1035 O ASP A 128 -16.394 13.401 10.751 1.00 14.08 O ATOM 1036 CB ASP A 128 -16.477 11.299 12.649 1.00 12.66 C ATOM 1037 CG ASP A 128 -16.521 10.314 11.520 1.00 13.72 C ATOM 1038 OD1 ASP A 128 -15.628 10.320 10.662 1.00 14.59 O ATOM 1039 OD2 ASP A 128 -17.446 9.495 11.490 1.00 15.49 O ATOM 1040 H ASP A 128 -16.019 13.325 14.269 1.00 0.00 H ATOM 1041 N ARG A 129 -14.145 13.607 10.919 1.00 13.49 N ATOM 1042 CA ARG A 129 -13.923 14.383 9.713 1.00 14.81 C ATOM 1043 C ARG A 129 -12.614 13.882 9.113 1.00 13.90 C ATOM 1044 O ARG A 129 -11.654 13.613 9.828 1.00 15.30 O ATOM 1045 CB ARG A 129 -13.834 15.891 10.022 1.00 17.05 C ATOM 1046 CG ARG A 129 -15.149 16.520 10.502 1.00 20.68 C ATOM 1047 CD ARG A 129 -15.166 18.036 10.365 1.00 26.60 C ATOM 1048 NE ARG A 129 -14.325 18.702 11.358 1.00 31.03 N ATOM 1049 CZ ARG A 129 -14.763 19.173 12.523 1.00 32.94 C ATOM 1050 NH1 ARG A 129 -16.040 19.052 12.863 1.00 34.12 N ATOM 1051 NH2 ARG A 129 -13.918 19.762 13.355 1.00 34.26 N ATOM 1052 HE ARG A 129 -13.315 18.816 11.139 1.00 0.00 H ATOM 1053 HH12 ARG A 129 -16.373 19.423 13.776 1.00 0.00 H ATOM 1054 HH11 ARG A 129 -16.708 18.586 12.217 1.00 0.00 H ATOM 1055 HH22 ARG A 129 -14.258 20.131 14.266 1.00 0.00 H ATOM 1056 HH21 ARG A 129 -12.915 19.856 13.097 1.00 0.00 H ATOM 1057 H ARG A 129 -13.319 13.399 11.516 1.00 0.00 H ATOM 1058 N ASP A 129A -12.572 13.773 7.802 1.00 13.05 N ATOM 1059 CA ASP A 129A -11.419 13.224 7.102 1.00 12.83 C ATOM 1060 C ASP A 129A -10.163 14.039 7.322 1.00 12.21 C ATOM 1061 O ASP A 129A -10.204 15.259 7.393 1.00 13.27 O ATOM 1062 CB ASP A 129A -11.714 13.241 5.604 1.00 13.20 C ATOM 1063 CG ASP A 129A -12.622 12.107 5.159 1.00 14.24 C ATOM 1064 OD1 ASP A 129A -12.715 11.080 5.861 1.00 16.17 O ATOM 1065 OD2 ASP A 129A -13.225 12.239 4.071 1.00 15.84 O ATOM 1066 H ASP A 129A -13.392 14.090 7.246 1.00 0.00 H ATOM 1067 N VAL A 130 -9.037 13.344 7.393 1.00 11.48 N ATOM 1068 CA VAL A 130 -7.747 14.004 7.309 1.00 11.14 C ATOM 1069 C VAL A 130 -7.592 14.585 5.889 1.00 11.14 C ATOM 1070 O VAL A 130 -7.857 13.919 4.885 1.00 11.49 O ATOM 1071 CB VAL A 130 -6.604 13.037 7.630 1.00 11.32 C ATOM 1072 CG1 VAL A 130 -5.266 13.761 7.566 1.00 11.84 C ATOM 1073 CG2 VAL A 130 -6.782 12.412 9.011 1.00 12.04 C ATOM 1074 H VAL A 130 -9.078 12.311 7.511 1.00 0.00 H ATOM 1075 N ALA A 131 -7.111 15.816 5.800 1.00 11.62 N ATOM 1076 CA ALA A 131 -6.946 16.458 4.504 1.00 12.37 C ATOM 1077 C ALA A 131 -5.923 15.731 3.639 1.00 12.07 C ATOM 1078 O ALA A 131 -4.852 15.333 4.114 1.00 11.63 O ATOM 1079 CB ALA A 131 -6.529 17.896 4.687 1.00 13.30 C ATOM 1080 H ALA A 131 -6.848 16.329 6.665 1.00 0.00 H ATOM 1081 N PRO A 132 -6.222 15.577 2.348 1.00 12.28 N ATOM 1082 CA PRO A 132 -5.236 15.016 1.437 1.00 12.77 C ATOM 1083 C PRO A 132 -3.907 15.761 1.516 1.00 12.25 C ATOM 1084 O PRO A 132 -3.867 16.984 1.659 1.00 12.73 O ATOM 1085 CB PRO A 132 -5.869 15.228 0.065 1.00 14.12 C ATOM 1086 CG PRO A 132 -7.316 15.164 0.340 1.00 14.49 C ATOM 1087 CD PRO A 132 -7.510 15.815 1.671 1.00 13.37 C ATOM 1088 N GLY A 133 -2.834 15.001 1.383 1.00 11.22 N ATOM 1089 CA GLY A 133 -1.488 15.544 1.445 1.00 11.02 C ATOM 1090 C GLY A 133 -0.892 15.703 2.831 1.00 10.58 C ATOM 1091 O GLY A 133 0.332 15.870 2.959 1.00 11.72 O ATOM 1092 H GLY A 133 -2.957 13.980 1.229 1.00 0.00 H ATOM 1093 N THR A 134 -1.715 15.620 3.878 1.00 10.54 N ATOM 1094 CA THR A 134 -1.216 15.693 5.246 1.00 10.95 C ATOM 1095 C THR A 134 -0.165 14.614 5.448 1.00 10.86 C ATOM 1096 O THR A 134 -0.367 13.450 5.099 1.00 11.02 O ATOM 1097 CB THR A 134 -2.344 15.483 6.259 1.00 11.45 C ATOM 1098 OG1 THR A 134 -3.358 16.456 6.016 1.00 11.94 O ATOM 1099 CG2 THR A 134 -1.864 15.580 7.697 1.00 13.06 C ATOM 1100 HG1 THR A 134 -3.705 16.346 5.095 1.00 0.00 H ATOM 1101 H THR A 134 -2.735 15.501 3.715 1.00 0.00 H ATOM 1102 N LEU A 135 0.967 15.013 6.009 1.00 11.48 N ATOM 1103 CA LEU A 135 2.048 14.068 6.280 1.00 11.82 C ATOM 1104 C LEU A 135 1.822 13.376 7.603 1.00 11.88 C ATOM 1105 O LEU A 135 1.743 14.035 8.646 1.00 14.12 O ATOM 1106 CB LEU A 135 3.394 14.778 6.293 1.00 13.26 C ATOM 1107 CG LEU A 135 3.915 15.103 4.905 1.00 17.14 C ATOM 1108 CD1 LEU A 135 5.115 16.009 5.054 1.00 19.90 C ATOM 1109 CD2 LEU A 135 4.286 13.840 4.147 1.00 20.28 C ATOM 1110 H LEU A 135 1.088 16.015 6.261 1.00 0.00 H ATOM 1111 N CYS A 136 1.717 12.051 7.564 1.00 10.74 N ATOM 1112 CA CYS A 136 1.457 11.249 8.744 1.00 11.12 C ATOM 1113 C CYS A 136 2.559 10.219 8.929 1.00 10.38 C ATOM 1114 O CYS A 136 3.214 9.806 7.990 1.00 13.49 O ATOM 1115 CB CYS A 136 0.100 10.558 8.632 1.00 10.80 C ATOM 1116 SG CYS A 136 -1.287 11.698 8.383 1.00 13.30 S ATOM 1117 H CYS A 136 1.826 11.569 6.649 1.00 0.00 H ATOM 1118 N ASP A 137 2.740 9.802 10.160 1.00 10.09 N ATOM 1119 CA ASP A 137 3.806 8.874 10.519 1.00 10.24 C ATOM 1120 C ASP A 137 3.248 7.490 10.757 1.00 9.35 C ATOM 1121 O ASP A 137 2.257 7.347 11.460 1.00 10.44 O ATOM 1122 CB ASP A 137 4.474 9.371 11.796 1.00 12.31 C ATOM 1123 CG ASP A 137 5.666 8.519 12.193 1.00 15.59 C ATOM 1124 OD1 ASP A 137 6.768 8.751 11.665 1.00 19.19 O ATOM 1125 OD2 ASP A 137 5.512 7.599 13.033 1.00 16.81 O ATOM 1126 H ASP A 137 2.101 10.145 10.905 1.00 0.00 H ATOM 1127 N VAL A 138 3.872 6.474 10.178 1.00 8.52 N ATOM 1128 CA VAL A 138 3.537 5.092 10.514 1.00 8.83 C ATOM 1129 C VAL A 138 4.826 4.355 10.835 1.00 8.19 C ATOM 1130 O VAL A 138 5.847 4.533 10.175 1.00 9.41 O ATOM 1131 CB VAL A 138 2.742 4.365 9.401 1.00 8.97 C ATOM 1132 CG1 VAL A 138 3.587 4.280 8.130 1.00 9.29 C ATOM 1133 CG2 VAL A 138 2.274 2.979 9.886 1.00 9.96 C ATOM 1134 H VAL A 138 4.612 6.664 9.473 1.00 0.00 H ATOM 1135 N ALA A 139 4.761 3.539 11.874 1.00 8.95 N ATOM 1136 CA ALA A 139 5.916 2.839 12.396 1.00 8.91 C ATOM 1137 C ALA A 139 5.580 1.386 12.569 1.00 8.39 C ATOM 1138 O ALA A 139 4.400 1.032 12.757 1.00 8.71 O ATOM 1139 CB ALA A 139 6.359 3.471 13.720 1.00 9.90 C ATOM 1140 H ALA A 139 3.841 3.394 12.336 1.00 0.00 H ATOM 1141 N GLY A 140 6.606 0.542 12.529 1.00 8.09 N ATOM 1142 CA GLY A 140 6.389 -0.853 12.754 1.00 8.68 C ATOM 1143 C GLY A 140 7.642 -1.694 12.644 1.00 7.52 C ATOM 1144 O GLY A 140 8.719 -1.221 12.234 1.00 8.60 O ATOM 1145 H GLY A 140 7.564 0.896 12.334 1.00 0.00 H ATOM 1146 N TRP A 141 7.468 -2.958 13.010 1.00 7.57 N ATOM 1147 CA TRP A 141 8.510 -3.973 12.936 1.00 8.55 C ATOM 1148 C TRP A 141 8.256 -4.952 11.793 1.00 8.33 C ATOM 1149 O TRP A 141 8.779 -6.060 11.792 1.00 9.05 O ATOM 1150 CB TRP A 141 8.660 -4.721 14.243 1.00 8.43 C ATOM 1151 CG TRP A 141 9.175 -3.971 15.419 1.00 8.24 C ATOM 1152 CD1 TRP A 141 10.474 -3.872 15.799 1.00 8.63 C ATOM 1153 CD2 TRP A 141 8.413 -3.290 16.417 1.00 7.77 C ATOM 1154 NE1 TRP A 141 10.579 -3.160 16.971 1.00 9.17 N ATOM 1155 CE2 TRP A 141 9.329 -2.788 17.377 1.00 8.42 C ATOM 1156 CE3 TRP A 141 7.035 -3.058 16.603 1.00 8.40 C ATOM 1157 CZ2 TRP A 141 8.921 -2.064 18.493 1.00 10.22 C ATOM 1158 CZ3 TRP A 141 6.635 -2.345 17.724 1.00 9.80 C ATOM 1159 CH2 TRP A 141 7.574 -1.862 18.656 1.00 10.39 C ATOM 1160 HE1 TRP A 141 11.466 -2.940 17.467 1.00 0.00 H ATOM 1161 H TRP A 141 6.534 -3.240 13.370 1.00 0.00 H ATOM 1162 N GLY A 142 7.461 -4.542 10.797 1.00 8.99 N ATOM 1163 CA GLY A 142 7.196 -5.409 9.670 1.00 9.43 C ATOM 1164 C GLY A 142 8.367 -5.504 8.705 1.00 9.27 C ATOM 1165 O GLY A 142 9.432 -4.908 8.912 1.00 9.09 O ATOM 1166 H GLY A 142 7.032 -3.595 10.834 1.00 0.00 H ATOM 1167 N ILE A 143 8.185 -6.278 7.640 1.00 9.34 N ATOM 1168 CA ILE A 143 9.279 -6.550 6.719 1.00 10.02 C ATOM 1169 C ILE A 143 9.766 -5.282 6.042 1.00 9.50 C ATOM 1170 O ILE A 143 9.003 -4.342 5.813 1.00 9.84 O ATOM 1171 CB ILE A 143 8.929 -7.661 5.714 1.00 10.78 C ATOM 1172 CG1 ILE A 143 7.864 -7.211 4.702 1.00 11.66 C ATOM 1173 CG2 ILE A 143 8.540 -8.925 6.465 1.00 12.28 C ATOM 1174 CD1 ILE A 143 7.608 -8.230 3.607 1.00 13.03 C ATOM 1175 H ILE A 143 7.249 -6.695 7.462 1.00 0.00 H ATOM 1176 N VAL A 144 11.068 -5.281 5.744 1.00 9.71 N ATOM 1177 CA VAL A 144 11.721 -4.102 5.199 1.00 10.36 C ATOM 1178 C VAL A 144 12.227 -4.261 3.766 1.00 11.43 C ATOM 1179 O VAL A 144 12.812 -3.328 3.215 1.00 12.66 O ATOM 1180 CB VAL A 144 12.884 -3.601 6.119 1.00 10.78 C ATOM 1181 CG1 VAL A 144 12.345 -3.200 7.477 1.00 11.32 C ATOM 1182 CG2 VAL A 144 13.992 -4.647 6.243 1.00 12.29 C ATOM 1183 H VAL A 144 11.627 -6.143 5.905 1.00 0.00 H ATOM 1184 N ASN A 145 12.006 -5.423 3.162 1.00 11.01 N ATOM 1185 CA ASN A 145 12.372 -5.629 1.765 1.00 11.72 C ATOM 1186 C ASN A 145 11.560 -6.758 1.174 1.00 11.76 C ATOM 1187 O ASN A 145 10.813 -7.424 1.890 1.00 11.89 O ATOM 1188 CB ASN A 145 13.899 -5.828 1.595 1.00 12.86 C ATOM 1189 CG ASN A 145 14.416 -7.100 2.248 1.00 12.34 C ATOM 1190 OD1 ASN A 145 13.675 -8.055 2.487 1.00 12.94 O ATOM 1191 ND2 ASN A 145 15.717 -7.117 2.536 1.00 15.27 N ATOM 1192 HD22 ASN A 145 16.309 -6.290 2.318 1.00 0.00 H ATOM 1193 HD21 ASN A 145 16.141 -7.957 2.979 1.00 0.00 H ATOM 1194 H ASN A 145 11.564 -6.200 3.694 1.00 0.00 H ATOM 1195 N HIS A 146 11.694 -6.964 -0.131 1.00 12.22 N ATOM 1196 CA HIS A 146 10.887 -7.972 -0.806 1.00 12.93 C ATOM 1197 C HIS A 146 11.251 -9.392 -0.423 1.00 12.61 C ATOM 1198 O HIS A 146 10.420 -10.293 -0.583 1.00 13.01 O ATOM 1199 CB HIS A 146 10.982 -7.821 -2.324 1.00 14.22 C ATOM 1200 CG HIS A 146 10.298 -6.604 -2.857 1.00 15.92 C ATOM 1201 ND1 HIS A 146 10.417 -6.209 -4.172 1.00 19.23 N ATOM 1202 CD2 HIS A 146 9.481 -5.705 -2.263 1.00 17.61 C ATOM 1203 CE1 HIS A 146 9.697 -5.119 -4.366 1.00 21.43 C ATOM 1204 NE2 HIS A 146 9.127 -4.784 -3.222 1.00 20.02 N ATOM 1205 H HIS A 146 12.380 -6.402 -0.675 1.00 0.00 H ATOM 1206 N ALA A 147 12.473 -9.592 0.079 1.00 12.40 N ATOM 1207 CA ALA A 147 12.895 -10.900 0.557 1.00 13.06 C ATOM 1208 C ALA A 147 12.202 -11.283 1.861 1.00 12.62 C ATOM 1209 O ALA A 147 12.175 -12.460 2.233 1.00 12.92 O ATOM 1210 CB ALA A 147 14.387 -10.934 0.740 1.00 13.93 C ATOM 1211 H ALA A 147 13.138 -8.794 0.129 1.00 0.00 H ATOM 1212 N GLY A 149 11.636 -10.290 2.545 1.00 12.49 N ATOM 1213 CA GLY A 149 10.971 -10.501 3.833 1.00 11.59 C ATOM 1214 C GLY A 149 11.868 -10.320 5.047 1.00 11.33 C ATOM 1215 O GLY A 149 11.536 -10.811 6.121 1.00 11.72 O ATOM 1216 H GLY A 149 11.667 -9.329 2.150 1.00 0.00 H ATOM 1217 N ARG A 150 12.994 -9.613 4.913 1.00 11.51 N ATOM 1218 CA ARG A 150 13.846 -9.353 6.072 1.00 11.91 C ATOM 1219 C ARG A 150 13.042 -8.678 7.187 1.00 10.84 C ATOM 1220 O ARG A 150 12.372 -7.679 6.966 1.00 11.11 O ATOM 1221 CB ARG A 150 15.022 -8.473 5.674 1.00 13.17 C ATOM 1222 CG ARG A 150 15.959 -8.182 6.836 1.00 15.72 C ATOM 1223 CD ARG A 150 17.357 -7.874 6.394 1.00 20.57 C ATOM 1224 NE ARG A 150 18.212 -7.639 7.551 1.00 24.57 N ATOM 1225 CZ ARG A 150 18.587 -8.573 8.429 1.00 25.95 C ATOM 1226 NH1 ARG A 150 18.178 -9.830 8.309 1.00 26.96 N ATOM 1227 NH2 ARG A 150 19.376 -8.247 9.441 1.00 25.63 N ATOM 1228 HE ARG A 150 18.556 -6.670 7.705 1.00 0.00 H ATOM 1229 HH12 ARG A 150 18.480 -10.544 9.002 1.00 0.00 H ATOM 1230 HH11 ARG A 150 17.555 -10.101 7.522 1.00 0.00 H ATOM 1231 HH22 ARG A 150 19.670 -8.972 10.126 1.00 0.00 H ATOM 1232 HH21 ARG A 150 19.702 -7.266 9.551 1.00 0.00 H ATOM 1233 H ARG A 150 13.266 -9.246 3.979 1.00 0.00 H ATOM 1234 N ARG A 151 13.187 -9.209 8.395 1.00 11.53 N ATOM 1235 CA ARG A 151 12.521 -8.699 9.594 1.00 11.74 C ATOM 1236 C ARG A 151 13.493 -7.866 10.408 1.00 10.83 C ATOM 1237 O ARG A 151 14.541 -8.364 10.815 1.00 12.92 O ATOM 1238 CB ARG A 151 12.042 -9.862 10.448 1.00 12.45 C ATOM 1239 CG ARG A 151 11.030 -10.734 9.739 1.00 15.50 C ATOM 1240 CD ARG A 151 10.669 -11.942 10.568 1.00 21.61 C ATOM 1241 NE ARG A 151 10.028 -12.951 9.733 1.00 25.86 N ATOM 1242 CZ ARG A 151 10.665 -13.944 9.119 1.00 29.18 C ATOM 1243 NH1 ARG A 151 11.986 -14.096 9.220 1.00 31.70 N ATOM 1244 NH2 ARG A 151 9.966 -14.791 8.395 1.00 30.54 N ATOM 1245 HE ARG A 151 8.997 -12.890 9.608 1.00 0.00 H ATOM 1246 HH12 ARG A 151 12.458 -14.882 8.729 1.00 0.00 H ATOM 1247 HH11 ARG A 151 12.544 -13.429 9.790 1.00 0.00 H ATOM 1248 HH22 ARG A 151 10.444 -15.575 7.906 1.00 0.00 H ATOM 1249 HH21 ARG A 151 8.936 -14.677 8.311 1.00 0.00 H ATOM 1250 H ARG A 151 13.810 -10.036 8.495 1.00 0.00 H ATOM 1251 N PRO A 152 13.198 -6.594 10.648 1.00 9.60 N ATOM 1252 CA PRO A 152 14.099 -5.774 11.437 1.00 9.99 C ATOM 1253 C PRO A 152 14.018 -6.098 12.925 1.00 9.59 C ATOM 1254 O PRO A 152 12.947 -6.393 13.443 1.00 10.88 O ATOM 1255 CB PRO A 152 13.590 -4.358 11.176 1.00 10.64 C ATOM 1256 CG PRO A 152 12.078 -4.556 10.987 1.00 10.10 C ATOM 1257 CD PRO A 152 11.957 -5.884 10.290 1.00 9.57 C ATOM 1258 N ASP A 153 15.140 -6.001 13.621 1.00 9.34 N ATOM 1259 CA ASP A 153 15.124 -6.107 15.064 1.00 9.14 C ATOM 1260 C ASP A 153 14.518 -4.872 15.721 1.00 9.00 C ATOM 1261 O ASP A 153 13.931 -4.945 16.792 1.00 10.07 O ATOM 1262 CB ASP A 153 16.531 -6.337 15.598 1.00 10.19 C ATOM 1263 CG ASP A 153 16.558 -6.417 17.111 1.00 11.21 C ATOM 1264 OD1 ASP A 153 16.056 -7.411 17.671 1.00 13.28 O ATOM 1265 OD2 ASP A 153 17.080 -5.476 17.728 1.00 12.00 O ATOM 1266 H ASP A 153 16.042 -5.847 13.126 1.00 0.00 H ATOM 1267 N SER A 154 14.674 -3.711 15.097 1.00 9.66 N ATOM 1268 CA SER A 154 14.268 -2.487 15.745 1.00 10.53 C ATOM 1269 C SER A 154 13.192 -1.759 14.944 1.00 8.85 C ATOM 1270 O SER A 154 13.007 -1.981 13.744 1.00 9.62 O ATOM 1271 CB SER A 154 15.436 -1.578 16.018 1.00 13.08 C ATOM 1272 OG SER A 154 15.918 -1.178 14.800 1.00 14.99 O ATOM 1273 HG SER A 154 16.692 -0.575 14.934 1.00 0.00 H ATOM 1274 H SER A 154 15.088 -3.683 14.143 1.00 0.00 H ATOM 1275 N LEU A 155 12.485 -0.882 15.643 1.00 8.48 N ATOM 1276 CA LEU A 155 11.355 -0.172 15.086 1.00 8.47 C ATOM 1277 C LEU A 155 11.783 0.708 13.919 1.00 8.44 C ATOM 1278 O LEU A 155 12.783 1.425 14.016 1.00 9.15 O ATOM 1279 CB LEU A 155 10.721 0.680 16.184 1.00 8.43 C ATOM 1280 CG LEU A 155 9.412 1.379 15.801 1.00 8.47 C ATOM 1281 CD1 LEU A 155 8.296 0.361 15.588 1.00 8.33 C ATOM 1282 CD2 LEU A 155 9.057 2.344 16.899 1.00 9.43 C ATOM 1283 H LEU A 155 12.754 -0.697 16.631 1.00 0.00 H ATOM 1284 N GLN A 156 11.025 0.623 12.827 1.00 8.30 N ATOM 1285 CA GLN A 156 11.217 1.444 11.636 1.00 8.26 C ATOM 1286 C GLN A 156 10.033 2.386 11.477 1.00 8.27 C ATOM 1287 O GLN A 156 8.968 2.172 12.060 1.00 8.99 O ATOM 1288 CB GLN A 156 11.324 0.572 10.388 1.00 9.85 C ATOM 1289 CG GLN A 156 12.299 -0.591 10.509 1.00 10.03 C ATOM 1290 CD GLN A 156 13.739 -0.152 10.552 1.00 12.17 C ATOM 1291 OE1 GLN A 156 14.220 0.552 9.663 1.00 15.15 O ATOM 1292 NE2 GLN A 156 14.438 -0.563 11.585 1.00 12.71 N ATOM 1293 HE22 GLN A 156 13.991 -1.156 12.313 1.00 0.00 H ATOM 1294 HE21 GLN A 156 15.439 -0.295 11.676 1.00 0.00 H ATOM 1295 H GLN A 156 10.250 -0.070 12.823 1.00 0.00 H ATOM 1296 N HIS A 157 10.214 3.439 10.693 1.00 9.20 N ATOM 1297 CA HIS A 157 9.097 4.309 10.420 1.00 10.28 C ATOM 1298 C HIS A 157 9.252 4.989 9.076 1.00 9.90 C ATOM 1299 O HIS A 157 10.343 5.025 8.484 1.00 10.32 O ATOM 1300 CB HIS A 157 8.961 5.352 11.509 1.00 12.12 C ATOM 1301 CG HIS A 157 9.846 6.511 11.296 1.00 13.66 C ATOM 1302 ND1 HIS A 157 9.373 7.739 10.883 1.00 16.81 N ATOM 1303 CD2 HIS A 157 11.191 6.619 11.357 1.00 14.67 C ATOM 1304 CE1 HIS A 157 10.392 8.568 10.750 1.00 19.18 C ATOM 1305 NE2 HIS A 157 11.507 7.915 11.024 1.00 19.05 N ATOM 1306 H HIS A 157 11.148 3.635 10.281 1.00 0.00 H ATOM 1307 N VAL A 158 8.145 5.559 8.614 1.00 10.44 N ATOM 1308 CA VAL A 158 8.136 6.325 7.380 1.00 11.12 C ATOM 1309 C VAL A 158 7.050 7.399 7.510 1.00 10.43 C ATOM 1310 O VAL A 158 6.039 7.216 8.191 1.00 11.32 O ATOM 1311 CB VAL A 158 7.949 5.379 6.163 1.00 13.35 C ATOM 1312 CG1 VAL A 158 6.547 4.765 6.120 1.00 12.88 C ATOM 1313 CG2 VAL A 158 8.396 6.049 4.872 1.00 15.16 C ATOM 1314 H VAL A 158 7.260 5.454 9.151 1.00 0.00 H ATOM 1315 N LEU A 159 7.262 8.514 6.830 1.00 10.91 N ATOM 1316 CA LEU A 159 6.287 9.581 6.725 1.00 12.19 C ATOM 1317 C LEU A 159 5.594 9.453 5.381 1.00 11.88 C ATOM 1318 O LEU A 159 6.264 9.341 4.351 1.00 14.09 O ATOM 1319 CB LEU A 159 6.957 10.952 6.824 1.00 14.05 C ATOM 1320 CG LEU A 159 7.677 11.274 8.114 1.00 18.44 C ATOM 1321 CD1 LEU A 159 8.382 12.609 7.966 1.00 21.59 C ATOM 1322 CD2 LEU A 159 6.700 11.297 9.268 1.00 21.24 C ATOM 1323 H LEU A 159 8.175 8.631 6.346 1.00 0.00 H ATOM 1324 N LEU A 160 4.265 9.440 5.403 1.00 11.54 N ATOM 1325 CA LEU A 160 3.458 9.227 4.206 1.00 11.98 C ATOM 1326 C LEU A 160 2.395 10.316 4.068 1.00 11.27 C ATOM 1327 O LEU A 160 1.720 10.652 5.038 1.00 11.71 O ATOM 1328 CB LEU A 160 2.730 7.892 4.289 1.00 12.28 C ATOM 1329 CG LEU A 160 3.564 6.626 4.493 1.00 13.12 C ATOM 1330 CD1 LEU A 160 2.655 5.438 4.701 1.00 15.12 C ATOM 1331 CD2 LEU A 160 4.489 6.361 3.338 1.00 14.81 C ATOM 1332 H LEU A 160 3.780 9.588 6.311 1.00 0.00 H ATOM 1333 N PRO A 161 2.190 10.842 2.842 1.00 10.93 N ATOM 1334 CA PRO A 161 1.074 11.783 2.645 1.00 10.40 C ATOM 1335 C PRO A 161 -0.243 11.045 2.483 1.00 9.93 C ATOM 1336 O PRO A 161 -0.316 10.026 1.795 1.00 10.53 O ATOM 1337 CB PRO A 161 1.414 12.508 1.343 1.00 11.58 C ATOM 1338 CG PRO A 161 2.400 11.673 0.678 1.00 14.70 C ATOM 1339 CD PRO A 161 3.007 10.685 1.622 1.00 12.04 C ATOM 1340 N VAL A 162 -1.289 11.592 3.083 1.00 9.41 N ATOM 1341 CA VAL A 162 -2.638 11.095 2.915 1.00 9.51 C ATOM 1342 C VAL A 162 -3.060 11.243 1.447 1.00 9.80 C ATOM 1343 O VAL A 162 -2.802 12.259 0.808 1.00 10.57 O ATOM 1344 CB VAL A 162 -3.591 11.844 3.875 1.00 10.16 C ATOM 1345 CG1 VAL A 162 -5.052 11.547 3.579 1.00 10.85 C ATOM 1346 CG2 VAL A 162 -3.279 11.476 5.312 1.00 11.19 C ATOM 1347 H VAL A 162 -1.135 12.414 3.701 1.00 0.00 H ATOM 1348 N LEU A 163 -3.718 10.222 0.922 1.00 9.96 N ATOM 1349 CA LEU A 163 -4.224 10.205 -0.436 1.00 11.08 C ATOM 1350 C LEU A 163 -5.731 10.402 -0.379 1.00 10.84 C ATOM 1351 O LEU A 163 -6.418 9.742 0.388 1.00 11.33 O ATOM 1352 CB LEU A 163 -3.910 8.871 -1.098 1.00 11.92 C ATOM 1353 CG LEU A 163 -4.362 8.738 -2.546 1.00 12.93 C ATOM 1354 CD1 LEU A 163 -3.597 9.717 -3.438 1.00 14.95 C ATOM 1355 CD2 LEU A 163 -4.145 7.317 -2.996 1.00 16.27 C ATOM 1356 H LEU A 163 -3.881 9.385 1.517 1.00 0.00 H ATOM 1357 N ASP A 164 -6.263 11.287 -1.217 1.00 10.95 N ATOM 1358 CA ASP A 164 -7.707 11.516 -1.255 1.00 11.17 C ATOM 1359 C ASP A 164 -8.475 10.246 -1.614 1.00 10.63 C ATOM 1360 O ASP A 164 -8.032 9.408 -2.404 1.00 11.21 O ATOM 1361 CB ASP A 164 -8.034 12.654 -2.218 1.00 12.55 C ATOM 1362 CG ASP A 164 -7.915 12.252 -3.650 1.00 14.01 C ATOM 1363 OD1 ASP A 164 -6.807 12.328 -4.220 1.00 15.70 O ATOM 1364 OD2 ASP A 164 -8.957 11.847 -4.200 1.00 15.24 O ATOM 1365 H ASP A 164 -5.643 11.825 -1.855 1.00 0.00 H ATOM 1366 N ARG A 165 -9.652 10.114 -1.010 1.00 10.74 N ATOM 1367 CA ARG A 165 -10.434 8.892 -1.137 1.00 10.81 C ATOM 1368 C ARG A 165 -10.863 8.623 -2.572 1.00 11.05 C ATOM 1369 O ARG A 165 -10.879 7.473 -2.990 1.00 11.62 O ATOM 1370 CB ARG A 165 -11.633 8.916 -0.193 1.00 10.71 C ATOM 1371 CG ARG A 165 -12.379 7.597 -0.117 1.00 11.41 C ATOM 1372 CD ARG A 165 -13.496 7.586 0.939 1.00 12.25 C ATOM 1373 NE ARG A 165 -12.963 7.702 2.292 1.00 11.21 N ATOM 1374 CZ ARG A 165 -12.985 8.800 3.027 1.00 11.04 C ATOM 1375 NH1 ARG A 165 -13.515 9.923 2.560 1.00 11.84 N ATOM 1376 NH2 ARG A 165 -12.403 8.791 4.227 1.00 11.88 N ATOM 1377 HE ARG A 165 -12.532 6.854 2.711 1.00 0.00 H ATOM 1378 HH12 ARG A 165 -13.525 10.779 3.151 1.00 0.00 H ATOM 1379 HH11 ARG A 165 -13.921 9.948 1.603 1.00 0.00 H ATOM 1380 HH22 ARG A 165 -12.413 9.648 4.816 1.00 0.00 H ATOM 1381 HH21 ARG A 165 -11.939 7.927 4.574 1.00 0.00 H ATOM 1382 H ARG A 165 -10.021 10.898 -0.436 1.00 0.00 H ATOM 1383 N ALA A 166 -11.220 9.673 -3.319 1.00 11.10 N ATOM 1384 CA ALA A 166 -11.627 9.466 -4.714 1.00 11.92 C ATOM 1385 C ALA A 166 -10.515 8.813 -5.543 1.00 12.11 C ATOM 1386 O ALA A 166 -10.755 7.865 -6.294 1.00 13.63 O ATOM 1387 CB ALA A 166 -12.114 10.765 -5.345 1.00 12.49 C ATOM 1388 H ALA A 166 -11.209 10.631 -2.914 1.00 0.00 H ATOM 1389 N THR A 167 -9.286 9.303 -5.412 1.00 12.78 N ATOM 1390 CA THR A 167 -8.177 8.672 -6.119 1.00 14.06 C ATOM 1391 C THR A 167 -7.998 7.236 -5.673 1.00 13.81 C ATOM 1392 O THR A 167 -7.830 6.330 -6.492 1.00 15.35 O ATOM 1393 CB THR A 167 -6.874 9.446 -5.928 1.00 14.81 C ATOM 1394 OG1 THR A 167 -7.046 10.789 -6.393 1.00 16.87 O ATOM 1395 CG2 THR A 167 -5.719 8.784 -6.685 1.00 16.59 C ATOM 1396 HG1 THR A 167 -7.769 11.226 -5.877 1.00 0.00 H ATOM 1397 H THR A 167 -9.116 10.133 -4.808 1.00 0.00 H ATOM 1398 N CYS A 168 -8.027 7.035 -4.363 1.00 13.41 N ATOM 1399 CA CYS A 168 -7.840 5.695 -3.826 1.00 13.77 C ATOM 1400 C CYS A 168 -8.885 4.704 -4.322 1.00 13.26 C ATOM 1401 O CYS A 168 -8.621 3.512 -4.448 1.00 14.21 O ATOM 1402 CB CYS A 168 -7.844 5.740 -2.305 1.00 13.74 C ATOM 1403 SG CYS A 168 -6.968 4.397 -1.577 1.00 14.28 S ATOM 1404 H CYS A 168 -8.184 7.836 -3.718 1.00 0.00 H ATOM 1405 N ASN A 169 -10.076 5.224 -4.611 1.00 13.29 N ATOM 1406 CA ASN A 169 -11.192 4.421 -5.117 1.00 14.21 C ATOM 1407 C ASN A 169 -11.222 4.154 -6.614 1.00 15.20 C ATOM 1408 O ASN A 169 -12.072 3.388 -7.075 1.00 15.90 O ATOM 1409 CB ASN A 169 -12.514 5.029 -4.660 1.00 14.20 C ATOM 1410 CG ASN A 169 -12.982 4.441 -3.348 1.00 12.48 C ATOM 1411 OD1 ASN A 169 -12.744 3.256 -3.058 1.00 13.87 O ATOM 1412 ND2 ASN A 169 -13.654 5.251 -2.550 1.00 13.33 N ATOM 1413 HD22 ASN A 169 -13.829 6.236 -2.836 1.00 0.00 H ATOM 1414 HD21 ASN A 169 -14.008 4.904 -1.636 1.00 0.00 H ATOM 1415 H ASN A 169 -10.220 6.244 -4.472 1.00 0.00 H ATOM 1416 N ARG A 170 -10.312 4.766 -7.364 1.00 15.45 N ATOM 1417 CA ARG A 170 -10.256 4.544 -8.818 1.00 16.54 C ATOM 1418 C ARG A 170 -10.076 3.059 -9.115 1.00 17.14 C ATOM 1419 O ARG A 170 -9.441 2.323 -8.343 1.00 16.78 O ATOM 1420 CB ARG A 170 -9.102 5.321 -9.444 1.00 16.97 C ATOM 1421 CG ARG A 170 -9.256 6.824 -9.423 1.00 18.76 C ATOM 1422 CD ARG A 170 -8.033 7.548 -9.998 1.00 23.47 C ATOM 1423 NE ARG A 170 -8.361 8.930 -10.341 1.00 27.56 N ATOM 1424 CZ ARG A 170 -7.618 9.722 -11.109 1.00 29.29 C ATOM 1425 NH1 ARG A 170 -6.474 9.284 -11.626 1.00 31.67 N ATOM 1426 NH2 ARG A 170 -8.028 10.956 -11.365 1.00 31.10 N ATOM 1427 HE ARG A 170 -9.243 9.324 -9.955 1.00 0.00 H ATOM 1428 HH12 ARG A 170 -5.900 9.911 -12.225 1.00 0.00 H ATOM 1429 HH11 ARG A 170 -6.153 8.314 -11.431 1.00 0.00 H ATOM 1430 HH22 ARG A 170 -7.453 11.581 -11.965 1.00 0.00 H ATOM 1431 HH21 ARG A 170 -8.925 11.299 -10.966 1.00 0.00 H ATOM 1432 H ARG A 170 -9.629 5.411 -6.917 1.00 0.00 H ATOM 1433 N ARG A 170A -10.633 2.616 -10.243 1.00 18.19 N ATOM 1434 CA ARG A 170A -10.511 1.223 -10.670 1.00 19.60 C ATOM 1435 C ARG A 170A -9.055 0.731 -10.664 1.00 20.19 C ATOM 1436 O ARG A 170A -8.786 -0.411 -10.284 1.00 21.58 O ATOM 1437 CB ARG A 170A -11.132 1.034 -12.053 1.00 19.92 C ATOM 1438 CG ARG A 170A -11.245 -0.427 -12.468 1.00 21.76 C ATOM 1439 CD ARG A 170A -11.856 -0.531 -13.853 1.00 20.95 C ATOM 1440 NE ARG A 170A -12.077 -1.923 -14.243 1.00 21.36 N ATOM 1441 CZ ARG A 170A -12.619 -2.310 -15.397 1.00 21.28 C ATOM 1442 NH1 ARG A 170A -13.005 -1.415 -16.302 1.00 21.65 N ATOM 1443 NH2 ARG A 170A -12.775 -3.605 -15.651 1.00 21.24 N ATOM 1444 HE ARG A 170A -11.791 -2.664 -13.572 1.00 0.00 H ATOM 1445 HH12 ARG A 170A -13.427 -1.731 -17.199 1.00 0.00 H ATOM 1446 HH11 ARG A 170A -12.885 -0.399 -16.113 1.00 0.00 H ATOM 1447 HH22 ARG A 170A -13.198 -3.911 -16.551 1.00 0.00 H ATOM 1448 HH21 ARG A 170A -12.474 -4.312 -14.950 1.00 0.00 H ATOM 1449 H ARG A 170A -11.170 3.281 -10.836 1.00 0.00 H ATOM 1450 N THR A 170B -8.134 1.598 -11.076 1.00 20.45 N ATOM 1451 CA THR A 170B -6.703 1.284 -11.103 1.00 21.20 C ATOM 1452 C THR A 170B -6.111 1.046 -9.709 1.00 19.89 C ATOM 1453 O THR A 170B -5.106 0.346 -9.560 1.00 20.60 O ATOM 1454 CB THR A 170B -5.887 2.418 -11.780 1.00 22.01 C ATOM 1455 OG1 THR A 170B -6.248 3.692 -11.223 1.00 24.29 O ATOM 1456 CG2 THR A 170B -6.137 2.446 -13.278 1.00 23.38 C ATOM 1457 HG1 THR A 170B -6.058 3.692 -10.251 1.00 0.00 H ATOM 1458 H THR A 170B -8.443 2.539 -11.393 1.00 0.00 H ATOM 1459 N HIS A 171 -6.742 1.636 -8.696 1.00 17.94 N ATOM 1460 CA HIS A 171 -6.262 1.594 -7.321 1.00 16.85 C ATOM 1461 C HIS A 171 -7.103 0.555 -6.546 1.00 16.38 C ATOM 1462 O HIS A 171 -6.986 -0.652 -6.802 1.00 17.59 O ATOM 1463 CB HIS A 171 -6.305 3.015 -6.740 1.00 17.41 C ATOM 1464 CG HIS A 171 -5.314 3.961 -7.360 1.00 18.57 C ATOM 1465 ND1 HIS A 171 -5.445 4.469 -8.636 1.00 22.71 N ATOM 1466 CD2 HIS A 171 -4.187 4.516 -6.851 1.00 21.25 C ATOM 1467 CE1 HIS A 171 -4.429 5.277 -8.890 1.00 21.04 C ATOM 1468 NE2 HIS A 171 -3.652 5.322 -7.825 1.00 23.03 N ATOM 1469 H HIS A 171 -7.622 2.153 -8.896 1.00 0.00 H ATOM 1470 N HIS A 172 -7.970 0.990 -5.639 1.00 15.66 N ATOM 1471 CA HIS A 172 -8.725 0.046 -4.805 1.00 15.11 C ATOM 1472 C HIS A 172 -10.197 -0.108 -5.198 1.00 15.87 C ATOM 1473 O HIS A 172 -10.975 -0.733 -4.475 1.00 16.51 O ATOM 1474 CB HIS A 172 -8.555 0.372 -3.313 1.00 14.58 C ATOM 1475 CG HIS A 172 -7.185 0.063 -2.796 1.00 13.47 C ATOM 1476 ND1 HIS A 172 -6.610 -1.183 -2.934 1.00 14.29 N ATOM 1477 CD2 HIS A 172 -6.266 0.838 -2.167 1.00 13.51 C ATOM 1478 CE1 HIS A 172 -5.395 -1.160 -2.412 1.00 14.15 C ATOM 1479 NE2 HIS A 172 -5.168 0.050 -1.937 1.00 13.82 N ATOM 1480 H HIS A 172 -8.116 2.013 -5.518 1.00 0.00 H ATOM 1481 N ASP A 173 -10.561 0.473 -6.345 1.00 16.29 N ATOM 1482 CA ASP A 173 -11.791 0.128 -7.081 1.00 17.11 C ATOM 1483 C ASP A 173 -13.024 0.091 -6.185 1.00 17.09 C ATOM 1484 O ASP A 173 -13.701 -0.941 -6.072 1.00 18.02 O ATOM 1485 CB ASP A 173 -11.615 -1.219 -7.806 1.00 18.12 C ATOM 1486 CG ASP A 173 -12.747 -1.522 -8.769 1.00 20.98 C ATOM 1487 OD1 ASP A 173 -13.351 -0.570 -9.307 1.00 22.11 O ATOM 1488 OD2 ASP A 173 -13.015 -2.726 -8.991 1.00 23.87 O ATOM 1489 H ASP A 173 -9.942 1.209 -6.740 1.00 0.00 H ATOM 1490 N GLY A 174 -13.314 1.225 -5.555 1.00 16.16 N ATOM 1491 CA GLY A 174 -14.535 1.382 -4.782 1.00 17.02 C ATOM 1492 C GLY A 174 -14.560 0.816 -3.366 1.00 16.62 C ATOM 1493 O GLY A 174 -15.550 0.979 -2.671 1.00 17.98 O ATOM 1494 H GLY A 174 -12.649 2.022 -5.617 1.00 0.00 H ATOM 1495 N ALA A 175 -13.467 0.193 -2.912 1.00 16.07 N ATOM 1496 CA ALA A 175 -13.444 -0.496 -1.613 1.00 15.49 C ATOM 1497 C ALA A 175 -13.252 0.446 -0.424 1.00 14.40 C ATOM 1498 O ALA A 175 -13.423 0.037 0.724 1.00 15.55 O ATOM 1499 CB ALA A 175 -12.364 -1.581 -1.591 1.00 16.88 C ATOM 1500 H ALA A 175 -12.606 0.196 -3.496 1.00 0.00 H ATOM 1501 N ILE A 176 -12.907 1.699 -0.687 1.00 13.32 N ATOM 1502 CA ILE A 176 -12.563 2.614 0.396 1.00 12.58 C ATOM 1503 C ILE A 176 -13.833 3.340 0.813 1.00 12.44 C ATOM 1504 O ILE A 176 -14.290 4.276 0.151 1.00 12.73 O ATOM 1505 CB ILE A 176 -11.436 3.590 0.004 1.00 12.54 C ATOM 1506 CG1 ILE A 176 -10.278 2.852 -0.679 1.00 13.07 C ATOM 1507 CG2 ILE A 176 -10.985 4.389 1.229 1.00 12.78 C ATOM 1508 CD1 ILE A 176 -9.630 1.699 0.124 1.00 14.14 C ATOM 1509 H ILE A 176 -12.881 2.032 -1.672 1.00 0.00 H ATOM 1510 N THR A 177 -14.428 2.863 1.896 1.00 11.79 N ATOM 1511 CA THR A 177 -15.592 3.498 2.486 1.00 12.05 C ATOM 1512 C THR A 177 -15.216 4.772 3.242 1.00 11.11 C ATOM 1513 O THR A 177 -14.032 5.098 3.411 1.00 10.82 O ATOM 1514 CB THR A 177 -16.267 2.546 3.473 1.00 12.21 C ATOM 1515 OG1 THR A 177 -15.428 2.447 4.633 1.00 12.27 O ATOM 1516 CG2 THR A 177 -16.507 1.157 2.859 1.00 13.47 C ATOM 1517 HG1 THR A 177 -15.845 1.834 5.289 1.00 0.00 H ATOM 1518 H THR A 177 -14.047 2.003 2.339 1.00 0.00 H ATOM 1519 N GLU A 178 -16.223 5.463 3.756 1.00 11.00 N ATOM 1520 CA GLU A 178 -16.000 6.647 4.563 1.00 12.21 C ATOM 1521 C GLU A 178 -15.314 6.342 5.892 1.00 10.34 C ATOM 1522 O GLU A 178 -14.851 7.258 6.574 1.00 11.17 O ATOM 1523 CB GLU A 178 -17.308 7.373 4.836 1.00 13.65 C ATOM 1524 CG GLU A 178 -18.013 7.861 3.595 1.00 19.75 C ATOM 1525 CD GLU A 178 -19.290 8.609 3.917 1.00 21.91 C ATOM 1526 OE1 GLU A 178 -20.033 8.169 4.824 1.00 22.81 O ATOM 1527 OE2 GLU A 178 -19.550 9.637 3.260 1.00 24.12 O ATOM 1528 H GLU A 178 -17.198 5.148 3.576 1.00 0.00 H ATOM 1529 N ARG A 179 -15.300 5.064 6.264 1.00 10.07 N ATOM 1530 CA ARG A 179 -14.673 4.607 7.508 1.00 10.13 C ATOM 1531 C ARG A 179 -13.188 4.255 7.337 1.00 9.64 C ATOM 1532 O ARG A 179 -12.526 3.912 8.311 1.00 10.28 O ATOM 1533 CB ARG A 179 -15.485 3.439 8.093 1.00 10.68 C ATOM 1534 CG ARG A 179 -16.997 3.706 8.110 1.00 11.33 C ATOM 1535 CD ARG A 179 -17.786 2.724 8.972 1.00 13.47 C ATOM 1536 NE ARG A 179 -17.712 3.089 10.376 1.00 12.13 N ATOM 1537 CZ ARG A 179 -18.458 2.549 11.330 1.00 12.42 C ATOM 1538 NH1 ARG A 179 -19.333 1.607 11.030 1.00 15.02 N ATOM 1539 NH2 ARG A 179 -18.341 2.956 12.584 1.00 14.33 N ATOM 1540 HE ARG A 179 -17.028 3.823 10.651 1.00 0.00 H ATOM 1541 HH12 ARG A 179 -19.918 1.183 11.778 1.00 0.00 H ATOM 1542 HH11 ARG A 179 -19.437 1.289 10.045 1.00 0.00 H ATOM 1543 HH22 ARG A 179 -18.930 2.528 13.327 1.00 0.00 H ATOM 1544 HH21 ARG A 179 -17.660 3.704 12.827 1.00 0.00 H ATOM 1545 H ARG A 179 -15.753 4.360 5.646 1.00 0.00 H ATOM 1546 N LEU A 180 -12.684 4.343 6.100 1.00 9.66 N ATOM 1547 CA LEU A 180 -11.313 4.026 5.736 1.00 9.25 C ATOM 1548 C LEU A 180 -10.628 5.235 5.140 1.00 9.79 C ATOM 1549 O LEU A 180 -11.278 6.141 4.621 1.00 10.11 O ATOM 1550 CB LEU A 180 -11.321 2.904 4.693 1.00 10.42 C ATOM 1551 CG LEU A 180 -11.821 1.548 5.180 1.00 10.73 C ATOM 1552 CD1 LEU A 180 -11.927 0.567 4.038 1.00 13.10 C ATOM 1553 CD2 LEU A 180 -10.863 0.991 6.196 1.00 13.01 C ATOM 1554 H LEU A 180 -13.321 4.662 5.343 1.00 0.00 H ATOM 1555 N MET A 181 -9.294 5.253 5.213 1.00 9.38 N ATOM 1556 CA MET A 181 -8.512 6.277 4.559 1.00 9.49 C ATOM 1557 C MET A 181 -7.316 5.619 3.894 1.00 9.17 C ATOM 1558 O MET A 181 -7.022 4.445 4.131 1.00 10.23 O ATOM 1559 CB MET A 181 -8.105 7.379 5.527 1.00 9.75 C ATOM 1560 CG MET A 181 -7.198 6.905 6.656 1.00 9.79 C ATOM 1561 SD MET A 181 -6.771 8.206 7.825 1.00 10.83 S ATOM 1562 CE MET A 181 -5.672 9.207 6.828 1.00 11.49 C ATOM 1563 H MET A 181 -8.806 4.511 5.754 1.00 0.00 H ATOM 1564 N CYS A 182 -6.631 6.393 3.061 1.00 9.71 N ATOM 1565 CA CYS A 182 -5.486 5.901 2.313 1.00 9.52 C ATOM 1566 C CYS A 182 -4.310 6.819 2.451 1.00 9.54 C ATOM 1567 O CYS A 182 -4.455 8.016 2.686 1.00 10.06 O ATOM 1568 CB CYS A 182 -5.800 5.781 0.827 1.00 11.38 C ATOM 1569 SG CYS A 182 -7.150 4.667 0.438 1.00 13.86 S ATOM 1570 H CYS A 182 -6.923 7.384 2.940 1.00 0.00 H ATOM 1571 N ALA A 183 -3.131 6.228 2.293 1.00 10.26 N ATOM 1572 CA ALA A 183 -1.902 7.005 2.204 1.00 10.19 C ATOM 1573 C ALA A 183 -1.144 6.536 0.981 1.00 10.93 C ATOM 1574 O ALA A 183 -1.298 5.399 0.521 1.00 11.27 O ATOM 1575 CB ALA A 183 -1.051 6.852 3.466 1.00 11.34 C ATOM 1576 H ALA A 183 -3.084 5.191 2.232 1.00 0.00 H ATOM 1577 N GLU A 184 -0.332 7.427 0.434 1.00 11.96 N ATOM 1578 CA GLU A 184 0.487 7.059 -0.708 1.00 12.93 C ATOM 1579 C GLU A 184 1.409 5.877 -0.370 1.00 12.87 C ATOM 1580 O GLU A 184 1.800 5.683 0.786 1.00 13.90 O ATOM 1581 CB GLU A 184 1.283 8.269 -1.204 1.00 14.42 C ATOM 1582 CG GLU A 184 0.409 9.399 -1.759 1.00 16.65 C ATOM 1583 CD GLU A 184 1.219 10.540 -2.345 1.00 20.64 C ATOM 1584 OE1 GLU A 184 2.426 10.338 -2.625 1.00 25.57 O ATOM 1585 OE2 GLU A 184 0.642 11.634 -2.518 1.00 22.65 O ATOM 1586 H GLU A 184 -0.280 8.391 0.822 1.00 0.00 H ATOM 1587 N SER A 185 1.759 5.110 -1.403 1.00 13.26 N ATOM 1588 CA SER A 185 2.526 3.872 -1.278 1.00 14.29 C ATOM 1589 C SER A 185 3.625 3.816 -2.331 1.00 15.46 C ATOM 1590 O SER A 185 3.996 2.741 -2.785 1.00 16.61 O ATOM 1591 CB SER A 185 1.587 2.678 -1.466 1.00 14.32 C ATOM 1592 OG SER A 185 0.857 2.816 -2.680 1.00 14.19 O ATOM 1593 HG SER A 185 0.254 2.039 -2.791 1.00 0.00 H ATOM 1594 H SER A 185 1.469 5.411 -2.355 1.00 0.00 H ATOM 1595 N ASN A 186 4.124 4.972 -2.739 1.00 16.09 N ATOM 1596 CA ASN A 186 5.115 5.022 -3.804 1.00 17.83 C ATOM 1597 C ASN A 186 6.500 4.803 -3.212 1.00 18.06 C ATOM 1598 O ASN A 186 7.114 5.742 -2.712 1.00 19.41 O ATOM 1599 CB ASN A 186 5.030 6.368 -4.537 1.00 19.16 C ATOM 1600 CG ASN A 186 5.989 6.468 -5.703 1.00 21.70 C ATOM 1601 OD1 ASN A 186 6.429 7.563 -6.067 1.00 26.84 O ATOM 1602 ND2 ASN A 186 6.305 5.330 -6.309 1.00 20.86 N ATOM 1603 HD22 ASN A 186 5.909 4.431 -5.966 1.00 0.00 H ATOM 1604 HD21 ASN A 186 6.948 5.337 -7.126 1.00 0.00 H ATOM 1605 H ASN A 186 3.804 5.855 -2.293 1.00 0.00 H ATOM 1606 N ARG A 187 6.938 3.544 -3.231 1.00 18.69 N ATOM 1607 CA ARG A 187 8.219 3.098 -2.649 1.00 19.83 C ATOM 1608 C ARG A 187 8.205 3.066 -1.115 1.00 19.59 C ATOM 1609 O ARG A 187 8.684 2.108 -0.502 1.00 22.81 O ATOM 1610 CB ARG A 187 9.414 3.916 -3.189 1.00 20.27 C ATOM 1611 CG ARG A 187 9.565 3.880 -4.715 1.00 23.78 C ATOM 1612 CD ARG A 187 10.666 4.825 -5.216 1.00 28.39 C ATOM 1613 NE ARG A 187 10.168 6.171 -5.515 1.00 32.37 N ATOM 1614 CZ ARG A 187 10.435 7.261 -4.799 1.00 34.16 C ATOM 1615 NH1 ARG A 187 9.927 8.432 -5.167 1.00 34.96 N ATOM 1616 NH2 ARG A 187 11.207 7.190 -3.722 1.00 35.20 N ATOM 1617 HE ARG A 187 9.559 6.283 -6.351 1.00 0.00 H ATOM 1618 HH12 ARG A 187 10.133 9.286 -4.611 1.00 0.00 H ATOM 1619 HH11 ARG A 187 9.323 8.495 -6.012 1.00 0.00 H ATOM 1620 HH22 ARG A 187 11.409 8.048 -3.170 1.00 0.00 H ATOM 1621 HH21 ARG A 187 11.610 6.277 -3.430 1.00 0.00 H ATOM 1622 H ARG A 187 6.337 2.828 -3.686 1.00 0.00 H ATOM 1623 N ARG A 188 7.658 4.104 -0.495 1.00 18.52 N ATOM 1624 CA ARG A 188 7.554 4.180 0.959 1.00 16.54 C ATOM 1625 C ARG A 188 6.183 3.652 1.348 1.00 15.27 C ATOM 1626 O ARG A 188 5.180 4.089 0.777 1.00 15.88 O ATOM 1627 CB ARG A 188 7.711 5.628 1.392 1.00 17.45 C ATOM 1628 CG ARG A 188 9.134 6.154 1.238 1.00 19.77 C ATOM 1629 CD ARG A 188 9.240 7.595 1.693 1.00 24.59 C ATOM 1630 NE ARG A 188 8.772 8.530 0.675 1.00 28.46 N ATOM 1631 CZ ARG A 188 9.548 9.085 -0.254 1.00 29.97 C ATOM 1632 NH1 ARG A 188 9.023 9.924 -1.137 1.00 30.93 N ATOM 1633 NH2 ARG A 188 10.846 8.806 -0.304 1.00 30.57 N ATOM 1634 HE ARG A 188 7.763 8.780 0.675 1.00 0.00 H ATOM 1635 HH12 ARG A 188 9.627 10.359 -1.864 1.00 0.00 H ATOM 1636 HH11 ARG A 188 8.008 10.147 -1.103 1.00 0.00 H ATOM 1637 HH22 ARG A 188 11.444 9.244 -1.033 1.00 0.00 H ATOM 1638 HH21 ARG A 188 11.264 8.149 0.386 1.00 0.00 H ATOM 1639 H ARG A 188 7.290 4.892 -1.066 1.00 0.00 H ATOM 1640 N ASP A 189 6.126 2.697 2.279 1.00 14.27 N ATOM 1641 CA ASP A 189 4.853 2.047 2.595 1.00 13.17 C ATOM 1642 C ASP A 189 4.946 1.241 3.892 1.00 13.05 C ATOM 1643 O ASP A 189 6.037 0.942 4.389 1.00 14.31 O ATOM 1644 CB ASP A 189 4.505 1.121 1.429 1.00 14.36 C ATOM 1645 CG ASP A 189 3.016 0.786 1.319 1.00 13.81 C ATOM 1646 OD1 ASP A 189 2.162 1.235 2.123 1.00 13.56 O ATOM 1647 OD2 ASP A 189 2.715 0.033 0.374 1.00 15.02 O ATOM 1648 H ASP A 189 6.991 2.413 2.783 1.00 0.00 H ATOM 1649 N SER A 190 3.787 0.915 4.449 1.00 12.89 N ATOM 1650 CA SER A 190 3.662 -0.149 5.437 1.00 13.48 C ATOM 1651 C SER A 190 3.673 -1.488 4.702 1.00 13.31 C ATOM 1652 O SER A 190 3.339 -1.534 3.513 1.00 15.94 O ATOM 1653 CB SER A 190 2.398 0.050 6.288 1.00 14.07 C ATOM 1654 OG SER A 190 1.242 0.162 5.470 1.00 16.31 O ATOM 1655 HG SER A 190 0.445 0.289 6.043 1.00 0.00 H ATOM 1656 H SER A 190 2.934 1.440 4.169 1.00 0.00 H ATOM 1657 N CYS A 191 4.002 -2.572 5.396 1.00 13.15 N ATOM 1658 CA CYS A 191 4.090 -3.879 4.789 1.00 13.21 C ATOM 1659 C CYS A 191 3.709 -4.978 5.792 1.00 12.47 C ATOM 1660 O CYS A 191 3.190 -4.687 6.873 1.00 12.75 O ATOM 1661 CB CYS A 191 5.471 -4.091 4.174 1.00 14.19 C ATOM 1662 SG CYS A 191 5.528 -5.289 2.846 1.00 18.03 S ATOM 1663 H CYS A 191 4.203 -2.476 6.412 1.00 0.00 H ATOM 1664 N LYS A 192 3.886 -6.237 5.401 1.00 12.86 N ATOM 1665 CA LYS A 192 3.560 -7.376 6.247 1.00 12.83 C ATOM 1666 C LYS A 192 4.195 -7.222 7.633 1.00 11.69 C ATOM 1667 O LYS A 192 5.408 -6.984 7.749 1.00 12.59 O ATOM 1668 CB LYS A 192 4.049 -8.675 5.625 1.00 13.99 C ATOM 1669 CG LYS A 192 3.775 -9.883 6.500 1.00 15.02 C ATOM 1670 CD LYS A 192 4.062 -11.180 5.804 1.00 14.80 C ATOM 1671 CE LYS A 192 3.919 -12.354 6.727 1.00 14.01 C ATOM 1672 NZ LYS A 192 2.494 -12.583 7.091 1.00 12.89 N ATOM 1673 HZ1 LYS A 192 2.119 -11.738 7.568 1.00 0.00 H ATOM 1674 HZ2 LYS A 192 1.943 -12.769 6.229 1.00 0.00 H ATOM 1675 HZ3 LYS A 192 2.428 -13.401 7.730 1.00 0.00 H ATOM 1676 H LYS A 192 4.273 -6.415 4.452 1.00 0.00 H ATOM 1677 N GLY A 193 3.393 -7.361 8.680 1.00 11.00 N ATOM 1678 CA GLY A 193 3.883 -7.196 10.036 1.00 10.93 C ATOM 1679 C GLY A 193 3.694 -5.811 10.604 1.00 9.66 C ATOM 1680 O GLY A 193 3.899 -5.600 11.809 1.00 10.36 O ATOM 1681 H GLY A 193 2.391 -7.593 8.526 1.00 0.00 H ATOM 1682 N ASP A 194 3.333 -4.859 9.746 1.00 9.53 N ATOM 1683 CA ASP A 194 3.003 -3.515 10.182 1.00 10.17 C ATOM 1684 C ASP A 194 1.514 -3.331 10.454 1.00 9.30 C ATOM 1685 O ASP A 194 1.118 -2.320 11.027 1.00 9.99 O ATOM 1686 CB ASP A 194 3.445 -2.474 9.161 1.00 10.47 C ATOM 1687 CG ASP A 194 4.940 -2.436 8.996 1.00 10.46 C ATOM 1688 OD1 ASP A 194 5.671 -2.534 10.021 1.00 10.84 O ATOM 1689 OD2 ASP A 194 5.398 -2.297 7.837 1.00 11.37 O ATOM 1690 H ASP A 194 3.286 -5.086 8.732 1.00 0.00 H ATOM 1691 N SER A 195 0.702 -4.308 10.041 1.00 10.19 N ATOM 1692 CA SER A 195 -0.750 -4.304 10.257 1.00 10.31 C ATOM 1693 C SER A 195 -1.040 -4.058 11.715 1.00 9.27 C ATOM 1694 O SER A 195 -0.333 -4.561 12.589 1.00 9.57 O ATOM 1695 CB SER A 195 -1.307 -5.654 9.858 1.00 13.49 C ATOM 1696 OG SER A 195 -0.911 -5.928 8.539 1.00 20.21 O ATOM 1697 HG SER A 195 -1.264 -5.225 7.937 1.00 0.00 H ATOM 1698 H SER A 195 1.122 -5.116 9.539 1.00 0.00 H ATOM 1699 N GLY A 196 -2.097 -3.293 11.982 1.00 8.66 N ATOM 1700 CA GLY A 196 -2.449 -2.988 13.349 1.00 9.55 C ATOM 1701 C GLY A 196 -1.777 -1.778 13.948 1.00 8.46 C ATOM 1702 O GLY A 196 -2.185 -1.305 15.000 1.00 9.83 O ATOM 1703 H GLY A 196 -2.672 -2.914 11.203 1.00 0.00 H ATOM 1704 N GLY A 197 -0.706 -1.302 13.310 1.00 9.06 N ATOM 1705 CA GLY A 197 0.011 -0.180 13.841 1.00 9.45 C ATOM 1706 C GLY A 197 -0.638 1.155 13.544 1.00 8.98 C ATOM 1707 O GLY A 197 -1.600 1.274 12.765 1.00 10.15 O ATOM 1708 H GLY A 197 -0.390 -1.747 12.424 1.00 0.00 H ATOM 1709 N PRO A 198 -0.099 2.200 14.167 1.00 9.56 N ATOM 1710 CA PRO A 198 -0.711 3.518 14.138 1.00 10.50 C ATOM 1711 C PRO A 198 -0.266 4.402 12.981 1.00 9.61 C ATOM 1712 O PRO A 198 0.922 4.449 12.653 1.00 11.66 O ATOM 1713 CB PRO A 198 -0.260 4.124 15.467 1.00 11.63 C ATOM 1714 CG PRO A 198 1.042 3.495 15.720 1.00 12.55 C ATOM 1715 CD PRO A 198 1.025 2.128 15.122 1.00 11.31 C ATOM 1716 N LEU A 199 -1.229 5.099 12.396 1.00 8.98 N ATOM 1717 CA LEU A 199 -0.985 6.219 11.502 1.00 8.92 C ATOM 1718 C LEU A 199 -1.305 7.478 12.295 1.00 8.21 C ATOM 1719 O LEU A 199 -2.455 7.700 12.717 1.00 8.65 O ATOM 1720 CB LEU A 199 -1.863 6.114 10.254 1.00 9.83 C ATOM 1721 CG LEU A 199 -1.646 7.189 9.178 1.00 10.43 C ATOM 1722 CD1 LEU A 199 -0.326 6.968 8.492 1.00 13.96 C ATOM 1723 CD2 LEU A 199 -2.781 7.165 8.152 1.00 14.84 C ATOM 1724 H LEU A 199 -2.215 4.830 12.587 1.00 0.00 H ATOM 1725 N VAL A 200 -0.272 8.287 12.509 1.00 8.71 N ATOM 1726 CA VAL A 200 -0.329 9.410 13.427 1.00 8.94 C ATOM 1727 C VAL A 200 -0.188 10.689 12.631 1.00 8.91 C ATOM 1728 O VAL A 200 0.752 10.830 11.848 1.00 10.48 O ATOM 1729 CB VAL A 200 0.767 9.278 14.507 1.00 9.16 C ATOM 1730 CG1 VAL A 200 0.664 10.421 15.508 1.00 11.75 C ATOM 1731 CG2 VAL A 200 0.603 7.945 15.190 1.00 10.62 C ATOM 1732 H VAL A 200 0.615 8.108 11.997 1.00 0.00 H ATOM 1733 N CYS A 201 -1.109 11.630 12.814 1.00 10.27 N ATOM 1734 CA CYS A 201 -1.055 12.893 12.076 1.00 12.12 C ATOM 1735 C CYS A 201 -1.123 14.023 13.084 1.00 12.91 C ATOM 1736 O CYS A 201 -2.063 14.104 13.880 1.00 12.91 O ATOM 1737 CB CYS A 201 -2.213 12.991 11.073 1.00 12.68 C ATOM 1738 SG CYS A 201 -2.497 11.515 10.024 1.00 13.95 S ATOM 1739 H CYS A 201 -1.880 11.466 13.492 1.00 0.00 H ATOM 1740 N GLY A 202 -0.114 14.886 13.068 1.00 14.93 N ATOM 1741 CA GLY A 202 -0.042 15.995 14.007 1.00 16.11 C ATOM 1742 C GLY A 202 -0.159 15.579 15.459 1.00 15.70 C ATOM 1743 O GLY A 202 -0.805 16.257 16.264 1.00 17.31 O ATOM 1744 H GLY A 202 0.644 14.766 12.366 1.00 0.00 H ATOM 1745 N GLY A 207 0.478 14.462 15.797 1.00 14.34 N ATOM 1746 CA GLY A 207 0.514 13.987 17.173 1.00 13.80 C ATOM 1747 C GLY A 207 -0.757 13.323 17.669 1.00 11.98 C ATOM 1748 O GLY A 207 -0.876 13.055 18.864 1.00 12.66 O ATOM 1749 H GLY A 207 0.963 13.913 15.059 1.00 0.00 H ATOM 1750 N VAL A 208 -1.698 13.029 16.767 1.00 10.53 N ATOM 1751 CA VAL A 208 -2.956 12.400 17.147 1.00 9.80 C ATOM 1752 C VAL A 208 -3.146 11.148 16.291 1.00 9.07 C ATOM 1753 O VAL A 208 -2.921 11.179 15.076 1.00 9.75 O ATOM 1754 CB VAL A 208 -4.150 13.399 16.977 1.00 10.95 C ATOM 1755 CG1 VAL A 208 -5.477 12.730 17.243 1.00 10.84 C ATOM 1756 CG2 VAL A 208 -3.959 14.625 17.879 1.00 12.78 C ATOM 1757 H VAL A 208 -1.528 13.255 15.766 1.00 0.00 H ATOM 1758 N LEU A 209 -3.582 10.058 16.906 1.00 8.29 N ATOM 1759 CA LEU A 209 -3.883 8.847 16.154 1.00 8.47 C ATOM 1760 C LEU A 209 -5.063 9.075 15.226 1.00 8.13 C ATOM 1761 O LEU A 209 -6.136 9.468 15.686 1.00 9.05 O ATOM 1762 CB LEU A 209 -4.203 7.713 17.116 1.00 8.96 C ATOM 1763 CG LEU A 209 -4.500 6.375 16.460 1.00 9.03 C ATOM 1764 CD1 LEU A 209 -3.273 5.811 15.772 1.00 9.80 C ATOM 1765 CD2 LEU A 209 -5.060 5.404 17.471 1.00 9.98 C ATOM 1766 H LEU A 209 -3.711 10.067 17.938 1.00 0.00 H ATOM 1767 N GLU A 210 -4.866 8.789 13.939 1.00 8.21 N ATOM 1768 CA GLU A 210 -5.933 8.892 12.944 1.00 8.54 C ATOM 1769 C GLU A 210 -6.308 7.553 12.339 1.00 8.33 C ATOM 1770 O GLU A 210 -7.489 7.350 12.020 1.00 8.92 O ATOM 1771 CB GLU A 210 -5.560 9.872 11.834 1.00 9.85 C ATOM 1772 CG GLU A 210 -5.475 11.294 12.328 1.00 11.78 C ATOM 1773 CD GLU A 210 -6.829 11.968 12.533 1.00 13.04 C ATOM 1774 OE1 GLU A 210 -7.887 11.386 12.192 1.00 13.61 O ATOM 1775 OE2 GLU A 210 -6.819 13.110 13.034 1.00 15.85 O ATOM 1776 H GLU A 210 -3.921 8.482 13.632 1.00 0.00 H ATOM 1777 N GLY A 211 -5.341 6.654 12.156 1.00 8.89 N ATOM 1778 CA GLY A 211 -5.615 5.423 11.460 1.00 9.48 C ATOM 1779 C GLY A 211 -4.935 4.241 12.094 1.00 8.24 C ATOM 1780 O GLY A 211 -3.942 4.378 12.820 1.00 8.67 O ATOM 1781 H GLY A 211 -4.384 6.842 12.517 1.00 0.00 H ATOM 1782 N VAL A 212 -5.430 3.058 11.764 1.00 7.95 N ATOM 1783 CA VAL A 212 -4.813 1.789 12.114 1.00 8.11 C ATOM 1784 C VAL A 212 -4.581 1.012 10.831 1.00 7.89 C ATOM 1785 O VAL A 212 -5.522 0.839 10.034 1.00 8.56 O ATOM 1786 CB VAL A 212 -5.717 0.981 13.070 1.00 8.74 C ATOM 1787 CG1 VAL A 212 -5.158 -0.401 13.321 1.00 9.73 C ATOM 1788 CG2 VAL A 212 -5.932 1.728 14.377 1.00 10.12 C ATOM 1789 H VAL A 212 -6.316 3.035 11.220 1.00 0.00 H ATOM 1790 N VAL A 213 -3.337 0.580 10.595 1.00 8.45 N ATOM 1791 CA VAL A 213 -3.019 -0.131 9.370 1.00 9.44 C ATOM 1792 C VAL A 213 -3.939 -1.337 9.243 1.00 9.57 C ATOM 1793 O VAL A 213 -4.058 -2.146 10.186 1.00 9.75 O ATOM 1794 CB VAL A 213 -1.551 -0.610 9.385 1.00 10.19 C ATOM 1795 CG1 VAL A 213 -1.209 -1.334 8.086 1.00 12.53 C ATOM 1796 CG2 VAL A 213 -0.572 0.557 9.636 1.00 12.35 C ATOM 1797 H VAL A 213 -2.590 0.755 11.297 1.00 0.00 H ATOM 1798 N THR A 214 -4.570 -1.490 8.082 1.00 9.90 N ATOM 1799 CA THR A 214 -5.379 -2.679 7.890 1.00 11.89 C ATOM 1800 C THR A 214 -4.503 -3.927 7.780 1.00 13.72 C ATOM 1801 O THR A 214 -3.277 -3.876 7.546 1.00 14.96 O ATOM 1802 CB THR A 214 -6.315 -2.560 6.710 1.00 13.46 C ATOM 1803 OG1 THR A 214 -5.536 -2.287 5.547 1.00 14.39 O ATOM 1804 CG2 THR A 214 -7.332 -1.464 6.920 1.00 14.29 C ATOM 1805 HG1 THR A 214 -5.040 -1.440 5.675 1.00 0.00 H ATOM 1806 H THR A 214 -4.486 -0.776 7.331 1.00 0.00 H ATOM 1807 N SER A 215 -5.126 -5.071 7.948 1.00 14.98 N ATOM 1808 CA SER A 215 -4.323 -6.275 8.044 1.00 17.21 C ATOM 1809 C SER A 215 -4.517 -7.238 6.868 1.00 18.36 C ATOM 1810 O SER A 215 -4.066 -8.387 6.922 1.00 21.03 O ATOM 1811 CB SER A 215 -4.491 -6.912 9.426 1.00 17.72 C ATOM 1812 OG SER A 215 -5.855 -7.124 9.717 1.00 17.98 O ATOM 1813 HG SER A 215 -6.333 -6.257 9.704 1.00 0.00 H ATOM 1814 H SER A 215 -6.163 -5.112 8.010 1.00 0.00 H ATOM 1815 N GLY A 216 -5.128 -6.752 5.785 1.00 18.70 N ATOM 1816 CA GLY A 216 -5.225 -7.514 4.546 1.00 19.74 C ATOM 1817 C GLY A 216 -3.918 -7.542 3.772 1.00 19.68 C ATOM 1818 O GLY A 216 -3.191 -6.546 3.710 1.00 20.90 O ATOM 1819 H GLY A 216 -5.547 -5.801 5.827 1.00 0.00 H ATOM 1820 N SER A 217 -3.619 -8.681 3.153 1.00 19.45 N ATOM 1821 CA SER A 217 -2.402 -8.803 2.357 1.00 19.73 C ATOM 1822 C SER A 217 -2.510 -7.844 1.196 1.00 19.41 C ATOM 1823 O SER A 217 -3.524 -7.791 0.481 1.00 21.53 O ATOM 1824 CB SER A 217 -2.205 -10.230 1.863 1.00 19.77 C ATOM 1825 OG SER A 217 -2.220 -11.107 2.961 1.00 20.40 O ATOM 1826 HG SER A 217 -3.090 -11.034 3.428 1.00 0.00 H ATOM 1827 H SER A 217 -4.261 -9.495 3.237 1.00 0.00 H ATOM 1828 N ARG A 218 -1.477 -7.047 1.039 1.00 18.79 N ATOM 1829 CA ARG A 218 -1.457 -6.029 0.022 1.00 17.32 C ATOM 1830 C ARG A 218 -0.018 -5.914 -0.440 1.00 16.89 C ATOM 1831 O ARG A 218 0.910 -5.951 0.371 1.00 16.86 O ATOM 1832 CB ARG A 218 -1.972 -4.685 0.569 1.00 16.57 C ATOM 1833 CG ARG A 218 -2.047 -3.550 -0.469 1.00 15.99 C ATOM 1834 CD ARG A 218 -2.445 -2.209 0.170 1.00 14.71 C ATOM 1835 NE ARG A 218 -1.605 -1.901 1.328 1.00 14.66 N ATOM 1836 CZ ARG A 218 -0.443 -1.250 1.280 1.00 13.48 C ATOM 1837 NH1 ARG A 218 0.020 -0.726 0.154 1.00 14.14 N ATOM 1838 NH2 ARG A 218 0.250 -1.107 2.393 1.00 14.98 N ATOM 1839 HE ARG A 218 -1.941 -2.214 2.261 1.00 0.00 H ATOM 1840 HH12 ARG A 218 0.931 -0.224 0.150 1.00 0.00 H ATOM 1841 HH11 ARG A 218 -0.527 -0.817 -0.726 1.00 0.00 H ATOM 1842 HH22 ARG A 218 1.159 -0.602 2.378 1.00 0.00 H ATOM 1843 HH21 ARG A 218 -0.113 -1.499 3.285 1.00 0.00 H ATOM 1844 H ARG A 218 -0.654 -7.155 1.665 1.00 0.00 H ATOM 1845 N VAL A 219 0.178 -5.764 -1.737 1.00 16.66 N ATOM 1846 CA VAL A 219 1.499 -5.476 -2.251 1.00 17.19 C ATOM 1847 C VAL A 219 2.034 -4.212 -1.550 1.00 16.51 C ATOM 1848 O VAL A 219 1.268 -3.280 -1.269 1.00 16.51 O ATOM 1849 CB VAL A 219 1.472 -5.353 -3.798 1.00 17.58 C ATOM 1850 CG1 VAL A 219 0.586 -4.180 -4.247 1.00 17.50 C ATOM 1851 CG2 VAL A 219 2.875 -5.274 -4.364 1.00 19.24 C ATOM 1852 H VAL A 219 -0.623 -5.854 -2.394 1.00 0.00 H ATOM 1853 N CYS A 220 3.331 -4.190 -1.231 1.00 17.64 N ATOM 1854 CA CYS A 220 3.900 -3.020 -0.565 1.00 18.30 C ATOM 1855 C CYS A 220 4.758 -2.233 -1.526 1.00 17.42 C ATOM 1856 O CYS A 220 5.531 -2.817 -2.301 1.00 18.70 O ATOM 1857 CB CYS A 220 4.766 -3.432 0.618 1.00 18.67 C ATOM 1858 SG CYS A 220 4.047 -4.745 1.578 1.00 20.44 S ATOM 1859 H CYS A 220 3.936 -5.005 -1.457 1.00 0.00 H ATOM 1860 N GLY A 221 4.647 -0.912 -1.447 1.00 17.53 N ATOM 1861 CA GLY A 221 5.540 0.002 -2.158 1.00 18.16 C ATOM 1862 C GLY A 221 5.171 0.297 -3.597 1.00 18.18 C ATOM 1863 O GLY A 221 5.953 0.945 -4.303 1.00 18.99 O ATOM 1864 H GLY A 221 3.893 -0.510 -0.854 1.00 0.00 H ATOM 1865 N ASN A 222 4.004 -0.182 -4.029 1.00 17.45 N ATOM 1866 CA ASN A 222 3.500 0.096 -5.368 1.00 17.76 C ATOM 1867 C ASN A 222 2.494 1.229 -5.318 1.00 17.14 C ATOM 1868 O ASN A 222 1.446 1.101 -4.685 1.00 16.22 O ATOM 1869 CB ASN A 222 2.824 -1.143 -5.935 1.00 18.45 C ATOM 1870 CG ASN A 222 2.546 -1.018 -7.418 1.00 20.53 C ATOM 1871 OD1 ASN A 222 1.937 -0.047 -7.870 1.00 22.02 O ATOM 1872 ND2 ASN A 222 3.012 -1.991 -8.190 1.00 22.79 N ATOM 1873 HD22 ASN A 222 3.521 -2.793 -7.766 1.00 0.00 H ATOM 1874 HD21 ASN A 222 2.868 -1.952 -9.219 1.00 0.00 H ATOM 1875 H ASN A 222 3.435 -0.773 -3.390 1.00 0.00 H ATOM 1876 N ARG A 223 2.796 2.329 -6.002 1.00 17.51 N ATOM 1877 CA ARG A 223 1.936 3.517 -5.965 1.00 18.31 C ATOM 1878 C ARG A 223 0.491 3.243 -6.387 1.00 18.16 C ATOM 1879 O ARG A 223 -0.414 3.971 -5.981 1.00 18.41 O ATOM 1880 CB ARG A 223 2.520 4.633 -6.836 1.00 19.72 C ATOM 1881 CG ARG A 223 2.530 4.301 -8.318 1.00 21.95 C ATOM 1882 CD ARG A 223 3.251 5.346 -9.143 1.00 24.24 C ATOM 1883 NE ARG A 223 3.294 4.978 -10.557 1.00 26.83 N ATOM 1884 CZ ARG A 223 2.309 5.200 -11.423 1.00 28.48 C ATOM 1885 NH1 ARG A 223 1.186 5.783 -11.023 1.00 29.51 N ATOM 1886 NH2 ARG A 223 2.445 4.837 -12.691 1.00 29.40 N ATOM 1887 HE ARG A 223 4.153 4.511 -10.910 1.00 0.00 H ATOM 1888 HH12 ARG A 223 0.418 5.955 -11.703 1.00 0.00 H ATOM 1889 HH11 ARG A 223 1.074 6.068 -10.029 1.00 0.00 H ATOM 1890 HH22 ARG A 223 1.674 5.011 -13.367 1.00 0.00 H ATOM 1891 HH21 ARG A 223 3.322 4.378 -13.009 1.00 0.00 H ATOM 1892 H ARG A 223 3.663 2.347 -6.577 1.00 0.00 H ATOM 1893 N LYS A 223A 0.282 2.196 -7.191 1.00 17.74 N ATOM 1894 CA LYS A 223A -1.064 1.863 -7.683 1.00 17.85 C ATOM 1895 C LYS A 223A -1.928 1.126 -6.667 1.00 16.61 C ATOM 1896 O LYS A 223A -3.129 0.936 -6.891 1.00 16.89 O ATOM 1897 CB LYS A 223A -0.984 1.034 -8.969 1.00 19.11 C ATOM 1898 CG LYS A 223A -0.411 1.827 -10.145 1.00 20.45 C ATOM 1899 CD LYS A 223A -1.357 2.898 -10.671 1.00 20.82 C ATOM 1900 CE LYS A 223A -0.812 3.555 -11.929 1.00 20.86 C ATOM 1901 NZ LYS A 223A -1.740 4.587 -12.467 1.00 20.72 N ATOM 1902 HZ1 LYS A 223A -2.651 4.144 -12.700 1.00 0.00 H ATOM 1903 HZ2 LYS A 223A -1.886 5.327 -11.751 1.00 0.00 H ATOM 1904 HZ3 LYS A 223A -1.328 5.009 -13.324 1.00 0.00 H ATOM 1905 H LYS A 223A 1.088 1.604 -7.475 1.00 0.00 H ATOM 1906 N LYS A 224 -1.325 0.712 -5.550 1.00 15.53 N ATOM 1907 CA LYS A 224 -2.083 0.075 -4.486 1.00 14.95 C ATOM 1908 C LYS A 224 -1.763 0.770 -3.163 1.00 13.48 C ATOM 1909 O LYS A 224 -0.916 0.295 -2.384 1.00 13.34 O ATOM 1910 CB LYS A 224 -1.804 -1.430 -4.442 1.00 15.39 C ATOM 1911 CG LYS A 224 -2.275 -2.178 -5.691 1.00 17.70 C ATOM 1912 CD LYS A 224 -3.802 -2.331 -5.745 1.00 19.70 C ATOM 1913 CE LYS A 224 -4.305 -2.890 -7.077 1.00 22.59 C ATOM 1914 NZ LYS A 224 -4.379 -1.824 -8.101 1.00 24.35 N ATOM 1915 HZ1 LYS A 224 -5.033 -1.082 -7.780 1.00 0.00 H ATOM 1916 HZ2 LYS A 224 -3.433 -1.416 -8.244 1.00 0.00 H ATOM 1917 HZ3 LYS A 224 -4.723 -2.228 -8.996 1.00 0.00 H ATOM 1918 H LYS A 224 -0.300 0.847 -5.440 1.00 0.00 H ATOM 1919 N PRO A 225 -2.423 1.923 -2.914 1.00 12.53 N ATOM 1920 CA PRO A 225 -2.159 2.710 -1.701 1.00 12.06 C ATOM 1921 C PRO A 225 -2.373 1.957 -0.411 1.00 11.04 C ATOM 1922 O PRO A 225 -3.124 0.987 -0.370 1.00 11.53 O ATOM 1923 CB PRO A 225 -3.173 3.853 -1.793 1.00 11.86 C ATOM 1924 CG PRO A 225 -3.431 3.993 -3.269 1.00 13.56 C ATOM 1925 CD PRO A 225 -3.417 2.580 -3.791 1.00 13.00 C ATOM 1926 N GLY A 226 -1.714 2.412 0.645 1.00 10.72 N ATOM 1927 CA GLY A 226 -1.982 1.858 1.964 1.00 10.51 C ATOM 1928 C GLY A 226 -3.372 2.202 2.415 1.00 9.97 C ATOM 1929 O GLY A 226 -3.852 3.300 2.167 1.00 10.82 O ATOM 1930 H GLY A 226 -1.005 3.165 0.531 1.00 0.00 H ATOM 1931 N ILE A 227 -4.020 1.248 3.080 1.00 9.43 N ATOM 1932 CA ILE A 227 -5.359 1.429 3.621 1.00 9.77 C ATOM 1933 C ILE A 227 -5.301 1.393 5.151 1.00 9.17 C ATOM 1934 O ILE A 227 -4.664 0.509 5.747 1.00 10.01 O ATOM 1935 CB ILE A 227 -6.322 0.348 3.099 1.00 10.37 C ATOM 1936 CG1 ILE A 227 -6.257 0.253 1.567 1.00 11.78 C ATOM 1937 CG2 ILE A 227 -7.751 0.612 3.603 1.00 11.53 C ATOM 1938 CD1 ILE A 227 -7.049 -0.909 0.989 1.00 13.61 C ATOM 1939 H ILE A 227 -3.548 0.332 3.219 1.00 0.00 H ATOM 1940 N TYR A 228 -5.989 2.345 5.768 1.00 8.68 N ATOM 1941 CA TYR A 228 -5.982 2.529 7.214 1.00 8.80 C ATOM 1942 C TYR A 228 -7.411 2.719 7.698 1.00 9.20 C ATOM 1943 O TYR A 228 -8.182 3.451 7.078 1.00 10.42 O ATOM 1944 CB TYR A 228 -5.090 3.746 7.594 1.00 10.18 C ATOM 1945 CG TYR A 228 -3.673 3.650 7.015 1.00 9.83 C ATOM 1946 CD1 TYR A 228 -3.418 3.997 5.694 1.00 11.18 C ATOM 1947 CD2 TYR A 228 -2.587 3.165 7.761 1.00 11.74 C ATOM 1948 CE1 TYR A 228 -2.131 3.863 5.125 1.00 12.54 C ATOM 1949 CE2 TYR A 228 -1.291 3.056 7.170 1.00 12.12 C ATOM 1950 CZ TYR A 228 -1.102 3.381 5.854 1.00 14.09 C ATOM 1951 OH TYR A 228 0.164 3.264 5.299 1.00 16.70 O ATOM 1952 HH TYR A 228 0.132 3.535 4.347 1.00 0.00 H ATOM 1953 H TYR A 228 -6.562 2.993 5.191 1.00 0.00 H ATOM 1954 N THR A 229 -7.770 2.070 8.801 1.00 8.48 N ATOM 1955 CA THR A 229 -9.090 2.259 9.387 1.00 8.25 C ATOM 1956 C THR A 229 -9.091 3.568 10.154 1.00 8.13 C ATOM 1957 O THR A 229 -8.177 3.809 10.949 1.00 8.80 O ATOM 1958 CB THR A 229 -9.422 1.093 10.321 1.00 8.72 C ATOM 1959 OG1 THR A 229 -9.290 -0.119 9.589 1.00 9.86 O ATOM 1960 CG2 THR A 229 -10.814 1.222 10.873 1.00 9.95 C ATOM 1961 HG1 THR A 229 -9.916 -0.110 8.822 1.00 0.00 H ATOM 1962 H THR A 229 -7.098 1.417 9.253 1.00 0.00 H ATOM 1963 N ARG A 230 -10.109 4.392 9.915 1.00 8.66 N ATOM 1964 CA ARG A 230 -10.204 5.681 10.586 1.00 8.61 C ATOM 1965 C ARG A 230 -10.724 5.520 12.010 1.00 8.72 C ATOM 1966 O ARG A 230 -11.896 5.172 12.212 1.00 8.97 O ATOM 1967 CB ARG A 230 -11.117 6.624 9.812 1.00 8.92 C ATOM 1968 CG ARG A 230 -10.593 6.992 8.422 1.00 10.19 C ATOM 1969 CD ARG A 230 -11.534 7.938 7.638 1.00 10.78 C ATOM 1970 NE ARG A 230 -11.776 9.137 8.423 1.00 11.07 N ATOM 1971 CZ ARG A 230 -12.895 9.439 9.071 1.00 11.17 C ATOM 1972 NH1 ARG A 230 -13.988 8.689 8.957 1.00 11.52 N ATOM 1973 NH2 ARG A 230 -12.901 10.517 9.847 1.00 12.04 N ATOM 1974 HE ARG A 230 -10.998 9.825 8.483 1.00 0.00 H ATOM 1975 HH12 ARG A 230 -14.852 8.947 9.475 1.00 0.00 H ATOM 1976 HH11 ARG A 230 -13.978 7.845 8.350 1.00 0.00 H ATOM 1977 HH22 ARG A 230 -13.763 10.779 10.367 1.00 0.00 H ATOM 1978 HH21 ARG A 230 -12.044 11.099 9.935 1.00 0.00 H ATOM 1979 H ARG A 230 -10.848 4.111 9.239 1.00 0.00 H ATOM 1980 N VAL A 231 -9.881 5.789 13.003 1.00 8.92 N ATOM 1981 CA VAL A 231 -10.297 5.577 14.386 1.00 9.37 C ATOM 1982 C VAL A 231 -11.479 6.449 14.775 1.00 8.85 C ATOM 1983 O VAL A 231 -12.330 6.015 15.549 1.00 9.85 O ATOM 1984 CB VAL A 231 -9.135 5.713 15.408 1.00 9.68 C ATOM 1985 CG1 VAL A 231 -8.054 4.717 15.099 1.00 11.28 C ATOM 1986 CG2 VAL A 231 -8.615 7.118 15.501 1.00 10.69 C ATOM 1987 H VAL A 231 -8.928 6.149 12.795 1.00 0.00 H ATOM 1988 N ALA A 232 -11.580 7.648 14.195 1.00 9.58 N ATOM 1989 CA ALA A 232 -12.662 8.551 14.564 1.00 10.49 C ATOM 1990 C ALA A 232 -14.014 7.943 14.216 1.00 10.96 C ATOM 1991 O ALA A 232 -15.015 8.240 14.860 1.00 12.55 O ATOM 1992 CB ALA A 232 -12.498 9.885 13.892 1.00 11.71 C ATOM 1993 H ALA A 232 -10.884 7.938 13.478 1.00 0.00 H ATOM 1994 N SER A 233 -14.062 7.114 13.174 1.00 10.19 N ATOM 1995 CA SER A 233 -15.293 6.488 12.716 1.00 10.96 C ATOM 1996 C SER A 233 -15.771 5.450 13.736 1.00 10.60 C ATOM 1997 O SER A 233 -16.933 5.083 13.732 1.00 11.66 O ATOM 1998 CB SER A 233 -15.041 5.855 11.345 1.00 11.51 C ATOM 1999 OG SER A 233 -16.252 5.510 10.711 1.00 13.93 O ATOM 2000 HG SER A 233 -16.802 6.324 10.587 1.00 0.00 H ATOM 2001 H SER A 233 -13.180 6.905 12.665 1.00 0.00 H ATOM 2002 N TYR A 234 -14.881 4.995 14.621 1.00 9.90 N ATOM 2003 CA TYR A 234 -15.180 3.954 15.591 1.00 10.05 C ATOM 2004 C TYR A 234 -15.094 4.435 17.034 1.00 10.53 C ATOM 2005 O TYR A 234 -14.982 3.621 17.947 1.00 10.65 O ATOM 2006 CB TYR A 234 -14.211 2.779 15.359 1.00 10.18 C ATOM 2007 CG TYR A 234 -14.476 2.122 14.038 1.00 10.03 C ATOM 2008 CD1 TYR A 234 -15.442 1.136 13.937 1.00 11.26 C ATOM 2009 CD2 TYR A 234 -13.846 2.539 12.866 1.00 9.97 C ATOM 2010 CE1 TYR A 234 -15.747 0.546 12.721 1.00 11.75 C ATOM 2011 CE2 TYR A 234 -14.144 1.965 11.639 1.00 10.36 C ATOM 2012 CZ TYR A 234 -15.106 0.976 11.569 1.00 11.46 C ATOM 2013 OH TYR A 234 -15.407 0.421 10.351 1.00 12.91 O ATOM 2014 HH TYR A 234 -16.109 -0.267 10.468 1.00 0.00 H ATOM 2015 H TYR A 234 -13.926 5.406 14.616 1.00 0.00 H ATOM 2016 N ALA A 235 -15.199 5.744 17.247 1.00 10.71 N ATOM 2017 CA ALA A 235 -15.027 6.304 18.579 1.00 12.30 C ATOM 2018 C ALA A 235 -15.985 5.693 19.609 1.00 11.82 C ATOM 2019 O ALA A 235 -15.568 5.350 20.730 1.00 13.19 O ATOM 2020 CB ALA A 235 -15.135 7.800 18.529 1.00 13.34 C ATOM 2021 H ALA A 235 -15.407 6.377 16.449 1.00 0.00 H ATOM 2022 N ALA A 236 -17.270 5.568 19.246 1.00 12.35 N ATOM 2023 CA ALA A 236 -18.233 5.014 20.198 1.00 13.25 C ATOM 2024 C ALA A 236 -17.953 3.538 20.513 1.00 13.50 C ATOM 2025 O ALA A 236 -18.164 3.088 21.641 1.00 14.97 O ATOM 2026 CB ALA A 236 -19.648 5.194 19.691 1.00 13.67 C ATOM 2027 H ALA A 236 -17.579 5.862 18.297 1.00 0.00 H ATOM 2028 N TRP A 237 -17.506 2.771 19.526 1.00 13.07 N ATOM 2029 CA TRP A 237 -17.147 1.373 19.779 1.00 12.89 C ATOM 2030 C TRP A 237 -15.971 1.254 20.730 1.00 12.76 C ATOM 2031 O TRP A 237 -16.034 0.468 21.678 1.00 13.63 O ATOM 2032 CB TRP A 237 -16.888 0.577 18.491 1.00 13.62 C ATOM 2033 CG TRP A 237 -16.365 -0.804 18.773 1.00 12.67 C ATOM 2034 CD1 TRP A 237 -17.086 -1.874 19.211 1.00 13.36 C ATOM 2035 CD2 TRP A 237 -15.011 -1.253 18.669 1.00 12.16 C ATOM 2036 NE1 TRP A 237 -16.279 -2.963 19.386 1.00 14.24 N ATOM 2037 CE2 TRP A 237 -14.998 -2.611 19.056 1.00 12.38 C ATOM 2038 CE3 TRP A 237 -13.806 -0.651 18.263 1.00 11.06 C ATOM 2039 CZ2 TRP A 237 -13.827 -3.376 19.069 1.00 12.79 C ATOM 2040 CZ3 TRP A 237 -12.645 -1.417 18.287 1.00 10.79 C ATOM 2041 CH2 TRP A 237 -12.668 -2.761 18.682 1.00 12.10 C ATOM 2042 HE1 TRP A 237 -16.586 -3.901 19.714 1.00 0.00 H ATOM 2043 H TRP A 237 -17.410 3.164 18.568 1.00 0.00 H ATOM 2044 N ILE A 238 -14.926 2.057 20.494 1.00 12.28 N ATOM 2045 CA ILE A 238 -13.743 2.037 21.355 1.00 13.11 C ATOM 2046 C ILE A 238 -14.265 2.306 22.790 1.00 13.64 C ATOM 2047 O ILE A 238 -13.967 1.561 23.737 1.00 15.01 O ATOM 2048 CB ILE A 238 -12.663 3.013 20.839 1.00 13.31 C ATOM 2049 CG1 ILE A 238 -12.101 2.501 19.491 1.00 12.66 C ATOM 2050 CG2 ILE A 238 -11.576 3.169 21.903 1.00 14.38 C ATOM 2051 CD1 ILE A 238 -11.254 3.508 18.686 1.00 14.04 C ATOM 2052 H ILE A 238 -14.956 2.708 19.683 1.00 0.00 H ATOM 2053 N ASP A 239 -15.105 3.329 22.946 1.00 15.14 N ATOM 2054 CA ASP A 239 -15.663 3.675 24.266 1.00 15.49 C ATOM 2055 C ASP A 239 -16.475 2.564 24.896 1.00 14.67 C ATOM 2056 O ASP A 239 -16.347 2.308 26.103 1.00 16.56 O ATOM 2057 CB ASP A 239 -16.526 4.926 24.167 1.00 16.45 C ATOM 2058 CG ASP A 239 -15.717 6.180 23.901 1.00 18.30 C ATOM 2059 OD1 ASP A 239 -14.512 6.232 24.191 1.00 21.51 O ATOM 2060 OD2 ASP A 239 -16.310 7.157 23.405 1.00 21.79 O ATOM 2061 H ASP A 239 -15.373 3.897 22.117 1.00 0.00 H ATOM 2062 N SER A 240 -17.268 1.857 24.103 1.00 15.34 N ATOM 2063 CA SER A 240 -18.101 0.805 24.658 1.00 15.42 C ATOM 2064 C SER A 240 -17.245 -0.335 25.207 1.00 14.93 C ATOM 2065 O SER A 240 -17.519 -0.870 26.289 1.00 15.42 O ATOM 2066 CB SER A 240 -19.045 0.267 23.605 1.00 16.02 C ATOM 2067 OG SER A 240 -19.721 -0.871 24.107 1.00 17.45 O ATOM 2068 HG SER A 240 -19.060 -1.569 24.343 1.00 0.00 H ATOM 2069 H SER A 240 -17.294 2.056 23.083 1.00 0.00 H ATOM 2070 N VAL A 241 -16.228 -0.730 24.451 1.00 14.22 N ATOM 2071 CA VAL A 241 -15.395 -1.833 24.881 1.00 14.29 C ATOM 2072 C VAL A 241 -14.660 -1.498 26.173 1.00 15.57 C ATOM 2073 O VAL A 241 -14.657 -2.295 27.120 1.00 16.11 O ATOM 2074 CB VAL A 241 -14.421 -2.199 23.785 1.00 13.92 C ATOM 2075 CG1 VAL A 241 -13.335 -3.172 24.304 1.00 14.07 C ATOM 2076 CG2 VAL A 241 -15.192 -2.750 22.600 1.00 14.44 C ATOM 2077 H VAL A 241 -16.030 -0.248 23.551 1.00 0.00 H ATOM 2078 N LEU A 242 -14.067 -0.313 26.245 1.00 13.95 N ATOM 2079 CA LEU A 242 -13.433 0.093 27.508 1.00 17.06 C ATOM 2080 C LEU A 242 -14.379 0.133 28.704 1.00 18.75 C ATOM 2081 O LEU A 242 -13.983 -0.231 29.816 1.00 20.45 O ATOM 2082 CB LEU A 242 -12.685 1.419 27.356 1.00 17.58 C ATOM 2083 CG LEU A 242 -11.283 1.313 26.768 1.00 18.13 C ATOM 2084 CD1 LEU A 242 -11.220 0.557 25.464 1.00 16.24 C ATOM 2085 CD2 LEU A 242 -10.701 2.697 26.560 1.00 19.30 C ATOM 2086 H LEU A 242 -14.051 0.320 25.420 1.00 0.00 H ATOM 2087 N ALA A 243 -15.630 0.532 28.486 1.00 19.86 N ATOM 2088 CA ALA A 243 -16.613 0.558 29.575 1.00 21.85 C ATOM 2089 C ALA A 243 -16.998 -0.863 29.988 1.00 22.56 C ATOM 2090 O ALA A 243 -17.261 -1.137 31.170 1.00 23.95 O ATOM 2091 CB ALA A 243 -17.832 1.352 29.167 1.00 21.79 C ATOM 2092 H ALA A 243 -15.915 0.829 27.531 1.00 0.00 H TER 2093 ALA A 243 HETATM 2094 O HOH 1 -10.811 -10.632 10.896 1.00 35.33 O HETATM 2095 O HOH 2 14.263 0.641 7.182 1.00 20.61 O HETATM 2096 O HOH 3 -19.155 9.184 13.396 1.00 19.17 O HETATM 2097 O HOH 4 -17.189 7.652 9.591 1.00 17.15 O HETATM 2098 O HOH 5 -4.735 14.631 13.398 1.00 17.20 O HETATM 2099 O HOH 6 5.181 -0.262 30.768 1.00 13.79 O HETATM 2100 O HOH 7 -14.101 14.390 2.881 1.00 25.77 O HETATM 2101 O HOH 8 -23.077 -2.991 12.849 1.00 16.21 O HETATM 2102 O HOH 9 -17.182 10.747 17.237 1.00 23.36 O HETATM 2103 O HOH 10 -1.029 13.120 -1.143 1.00 25.39 O HETATM 2104 O HOH 11 -12.602 -10.795 13.451 1.00 26.06 O HETATM 2105 O HOH 12 5.747 1.741 23.848 1.00 15.74 O HETATM 2106 O HOH 13 2.783 16.153 2.030 1.00 25.96 O HETATM 2107 O HOH 14 -16.061 -4.439 27.741 1.00 18.39 O HETATM 2108 O HOH 15 10.403 0.457 -1.633 1.00 39.87 O HETATM 2109 O HOH 16 -17.542 8.712 15.472 1.00 17.49 O HETATM 2110 O HOH 17 12.746 -4.949 30.853 1.00 32.61 O HETATM 2111 O HOH 18 -5.430 -16.865 22.323 1.00 39.09 O HETATM 2112 O HOH 19 -2.586 -10.894 5.574 1.00 28.98 O HETATM 2113 O HOH 20 12.185 0.548 5.491 1.00 18.36 O HETATM 2114 O HOH 21 -4.978 -10.894 6.793 1.00 28.19 O HETATM 2115 O HOH 22 -13.895 0.002 8.189 1.00 12.55 O HETATM 2116 O HOH 23 -9.459 15.666 18.283 1.00 15.14 O HETATM 2117 O HOH 24 -1.732 -13.173 27.538 1.00 17.05 O HETATM 2118 O HOH 25 9.519 -12.333 7.011 1.00 14.12 O HETATM 2119 O HOH 26 -15.653 -3.712 30.426 1.00 32.68 O HETATM 2120 O HOH 27 -12.963 -7.342 8.569 1.00 14.52 O HETATM 2121 O HOH 28 2.163 -2.005 35.322 1.00 24.54 O HETATM 2122 O HOH 29 -14.876 9.134 22.292 1.00 24.15 O HETATM 2123 O HOH 30 1.666 -0.975 -2.586 1.00 15.34 O HETATM 2124 O HOH 31 14.589 1.957 27.777 1.00 23.06 O HETATM 2125 O HOH 32 -7.338 -1.655 10.615 1.00 11.03 O HETATM 2126 O HOH 33 -15.539 0.093 5.987 1.00 15.99 O HETATM 2127 O HOH 34 8.788 11.692 21.432 1.00 36.69 O HETATM 2128 O HOH 35 1.144 -8.653 32.277 1.00 25.53 O HETATM 2129 O HOH 36 -15.167 9.970 5.963 1.00 15.22 O HETATM 2130 O HOH 37 -11.493 -1.405 8.667 1.00 10.47 O HETATM 2131 O HOH 38 -17.192 0.903 -0.535 1.00 35.82 O HETATM 2132 O HOH 39 -5.095 -13.594 26.322 1.00 16.57 O HETATM 2133 O HOH 40 -18.128 -5.490 5.558 1.00 25.21 O HETATM 2134 O HOH 41 0.748 16.521 9.679 1.00 31.94 O HETATM 2135 O HOH 42 -0.647 3.204 34.917 1.00 22.24 O HETATM 2136 O HOH 43 13.031 -0.652 2.904 1.00 22.33 O HETATM 2137 O HOH 44 5.833 10.483 19.459 1.00 29.44 O HETATM 2138 O HOH 45 7.922 0.081 31.080 1.00 14.66 O HETATM 2139 O HOH 46 -8.440 6.761 25.458 1.00 19.99 O HETATM 2140 O HOH 47 -1.405 10.210 27.055 1.00 34.25 O HETATM 2141 O HOH 48 7.601 -2.622 -4.053 1.00 33.00 O HETATM 2142 O HOH 49 12.145 7.216 4.471 1.00 28.59 O HETATM 2143 O HOH 50 -13.090 7.260 -7.550 1.00 21.74 O HETATM 2144 O HOH 51 -20.854 -10.131 15.626 1.00 43.11 O HETATM 2145 O HOH 52 11.774 11.038 16.096 1.00 35.92 O HETATM 2146 O HOH 53 -15.638 4.126 28.001 1.00 21.52 O HETATM 2147 O HOH 54 -4.166 18.447 7.689 1.00 24.41 O HETATM 2148 O HOH 55 14.740 -9.551 16.614 1.00 24.10 O HETATM 2149 O HOH 56 8.953 -10.562 23.447 1.00 18.44 O HETATM 2150 O HOH 57 4.181 -17.135 16.649 1.00 31.32 O HETATM 2151 O HOH 58 9.604 -2.291 9.662 1.00 9.75 O HETATM 2152 O HOH 59 -16.795 5.077 -0.573 1.00 31.64 O HETATM 2153 O HOH 60 -13.470 -2.001 31.828 1.00 47.07 O HETATM 2154 O HOH 61 6.591 -14.388 25.219 1.00 27.07 O HETATM 2155 O HOH 62 17.259 6.461 11.140 1.00 31.09 O HETATM 2156 O HOH 63 -5.356 8.173 24.396 1.00 16.06 O HETATM 2157 O HOH 64 11.012 8.726 25.378 1.00 31.95 O HETATM 2158 O HOH 65 -14.732 -2.109 1.862 1.00 19.40 O HETATM 2159 O HOH 66 6.624 -2.030 35.133 1.00 33.76 O HETATM 2160 O HOH 67 -7.917 -3.398 -3.888 1.00 25.44 O HETATM 2161 O HOH 68 -16.970 -7.075 7.494 1.00 19.06 O HETATM 2162 O HOH 69 3.318 -13.814 22.864 1.00 15.47 O HETATM 2163 O HOH 70 17.164 4.640 17.368 1.00 15.02 O HETATM 2164 O HOH 71 -20.415 3.708 23.097 1.00 23.09 O HETATM 2165 O HOH 72 6.894 -1.304 22.310 1.00 9.22 O HETATM 2166 O HOH 73 -11.072 15.136 12.700 1.00 19.97 O HETATM 2167 O HOH 74 18.199 -1.943 22.212 1.00 20.73 O HETATM 2168 O HOH 75 -9.658 9.005 12.427 1.00 12.52 O HETATM 2169 O HOH 76 20.788 0.491 15.318 1.00 16.94 O HETATM 2170 O HOH 77 4.871 10.205 16.411 1.00 30.17 O HETATM 2171 O HOH 78 -4.771 13.263 -2.604 1.00 18.05 O HETATM 2172 O HOH 79 10.224 5.790 17.765 1.00 10.38 O HETATM 2173 O HOH 80 3.474 6.189 14.255 1.00 16.93 O HETATM 2174 O HOH 81 15.644 -11.977 23.410 1.00 25.65 O HETATM 2175 O HOH 82 -11.423 -0.165 30.863 1.00 31.64 O HETATM 2176 O HOH 83 4.808 -13.766 13.613 1.00 26.17 O HETATM 2177 O HOH 84 -8.122 0.424 32.939 1.00 19.78 O HETATM 2178 O HOH 85 5.598 2.742 -7.007 1.00 30.29 O HETATM 2179 O HOH 86 17.068 -5.312 8.533 1.00 33.16 O HETATM 2180 O HOH 87 3.013 -1.363 12.944 1.00 9.30 O HETATM 2181 O HOH 88 -19.648 -3.323 6.467 1.00 30.07 O HETATM 2182 O HOH 89 -9.288 10.427 6.934 1.00 12.61 O HETATM 2183 O HOH 90 10.075 -9.331 21.291 1.00 15.69 O HETATM 2184 O HOH 91 7.280 10.690 26.204 1.00 29.92 O HETATM 2185 O HOH 92 14.371 -14.191 2.276 1.00 15.10 O HETATM 2186 O HOH 93 10.599 -7.841 12.978 1.00 10.88 O HETATM 2187 O HOH 94 -5.873 -9.309 0.402 1.00 37.37 O HETATM 2188 O HOH 95 20.494 -3.617 25.044 1.00 21.06 O HETATM 2189 O HOH 96 9.434 3.209 23.858 1.00 11.81 O HETATM 2190 O HOH 97 -7.396 10.800 23.328 1.00 14.64 O HETATM 2191 O HOH 98 8.072 -12.158 13.828 1.00 24.35 O HETATM 2192 O HOH 99 8.102 2.005 21.693 1.00 10.99 O HETATM 2193 O HOH 100 18.752 2.498 17.745 1.00 17.89 O HETATM 2194 O HOH 101 22.113 -5.465 23.824 1.00 22.24 O HETATM 2195 O HOH 102 0.658 3.583 2.499 1.00 16.16 O HETATM 2196 O HOH 103 12.130 8.722 14.699 1.00 18.14 O HETATM 2197 O HOH 104 16.579 7.538 21.370 1.00 23.51 O HETATM 2198 O HOH 105 -1.630 6.975 -6.752 1.00 44.18 O HETATM 2199 O HOH 106 -10.136 11.261 10.215 1.00 19.65 O HETATM 2200 O HOH 107 7.427 2.744 31.666 1.00 14.40 O HETATM 2201 O HOH 108 16.878 1.350 23.773 1.00 23.84 O HETATM 2202 O HOH 109 13.173 -5.022 -1.574 1.00 21.11 O HETATM 2203 O HOH 110 -13.773 -10.726 23.900 1.00 25.93 O HETATM 2204 O HOH 111 7.000 10.890 31.814 1.00 46.24 O HETATM 2205 O HOH 112 -2.918 -15.022 14.237 1.00 34.98 O HETATM 2206 O HOH 113 -14.611 3.225 -8.342 1.00 48.10 O HETATM 2207 O HOH 114 -10.322 -11.466 14.916 1.00 25.79 O HETATM 2208 O HOH 115 10.354 -3.540 32.568 1.00 37.22 O HETATM 2209 O HOH 116 -10.826 -8.108 10.214 1.00 23.56 O HETATM 2210 O HOH 117 -19.159 6.402 12.536 1.00 23.25 O HETATM 2211 O HOH 118 4.696 -3.512 13.587 1.00 8.92 O HETATM 2212 O HOH 119 11.325 2.577 19.976 1.00 10.63 O HETATM 2213 O HOH 120 -0.419 -1.682 37.059 1.00 34.97 O HETATM 2214 O HOH 121 -6.843 17.441 8.141 1.00 18.04 O HETATM 2215 O HOH 122 -3.132 17.867 15.829 1.00 27.83 O HETATM 2216 O HOH 123 4.225 -11.279 30.427 1.00 34.37 O HETATM 2217 O HOH 124 -3.435 -0.888 -11.536 1.00 35.35 O HETATM 2218 O HOH 125 -8.241 9.389 25.454 1.00 24.92 O HETATM 2219 O HOH 126 -0.768 -12.427 6.911 1.00 39.83 O HETATM 2220 O HOH 127 -10.262 13.459 19.844 1.00 15.50 O HETATM 2221 O HOH 128 -1.114 11.580 -4.789 1.00 36.44 O HETATM 2222 O HOH 129 -10.619 -13.177 27.697 1.00 28.10 O HETATM 2223 O HOH 130 -5.260 -12.559 8.866 1.00 40.80 O HETATM 2224 O HOH 131 19.387 -1.180 27.301 1.00 23.22 O HETATM 2225 O HOH 132 -17.664 13.666 15.026 1.00 21.51 O HETATM 2226 O HOH 133 20.046 7.481 7.832 1.00 27.64 O HETATM 2227 O HOH 134 -10.062 -12.778 24.964 1.00 21.96 O HETATM 2228 O HOH 135 17.841 3.693 9.081 1.00 18.48 O HETATM 2229 O HOH 136 -20.513 0.846 8.513 1.00 18.38 O HETATM 2230 O HOH 137 -11.450 -12.696 21.044 1.00 38.24 O HETATM 2231 O HOH 138 0.223 5.793 -3.838 1.00 20.43 O HETATM 2232 O HOH 139 -12.103 4.554 -11.803 1.00 25.83 O HETATM 2233 O HOH 140 -12.826 -3.381 -4.787 1.00 38.13 O HETATM 2234 O HOH 141 3.194 1.048 37.440 1.00 47.74 O HETATM 2235 O HOH 142 -9.185 14.104 11.256 1.00 23.14 O HETATM 2236 O HOH 143 -19.863 -9.413 4.092 1.00 27.90 O HETATM 2237 O HOH 144 -14.232 -7.680 34.614 1.00 28.77 O HETATM 2238 O HOH 145 13.886 -5.419 28.666 1.00 27.97 O HETATM 2239 O HOH 146 12.471 6.273 0.765 1.00 28.60 O HETATM 2240 O HOH 147 -16.336 11.360 8.047 1.00 23.49 O HETATM 2241 O HOH 148 9.940 9.040 5.840 1.00 21.56 O HETATM 2242 O HOH 149 8.925 4.768 30.365 1.00 15.29 O HETATM 2243 O HOH 150 -5.289 -4.366 3.522 1.00 30.43 O HETATM 2244 O HOH 151 -15.304 -9.065 25.314 1.00 33.76 O HETATM 2245 O HOH 152 -18.893 4.809 2.792 1.00 20.52 O HETATM 2246 O HOH 153 13.184 8.982 22.899 1.00 27.96 O HETATM 2247 O HOH 154 -8.643 -3.048 -6.716 1.00 42.20 O HETATM 2248 O HOH 155 -4.291 -2.248 36.796 1.00 25.97 O HETATM 2249 O HOH 156 -15.230 13.946 6.618 1.00 24.95 O HETATM 2250 O HOH 157 8.946 -8.064 30.216 1.00 18.65 O HETATM 2251 O HOH 158 9.725 -11.468 16.726 1.00 16.30 O HETATM 2252 O HOH 159 9.228 4.366 20.053 1.00 9.96 O HETATM 2253 O HOH 160 -18.445 6.463 16.728 1.00 16.82 O HETATM 2254 O HOH 161 -3.240 -15.279 25.378 1.00 19.68 O HETATM 2255 O HOH 162 -8.127 -5.071 35.363 1.00 25.50 O HETATM 2256 O HOH 163 2.676 -15.361 8.004 1.00 28.80 O HETATM 2257 O HOH 164 -5.503 -10.931 3.168 1.00 31.85 O HETATM 2258 O HOH 165 12.737 -9.223 24.453 1.00 20.03 O HETATM 2259 O HOH 166 4.417 6.777 -0.156 1.00 22.25 O HETATM 2260 O HOH 167 4.943 -3.954 -7.128 1.00 29.54 O HETATM 2261 O HOH 168 5.712 -5.930 -1.419 1.00 23.15 O HETATM 2262 O HOH 169 2.067 4.410 35.637 1.00 22.36 O HETATM 2263 O HOH 170 -8.209 -5.576 6.260 1.00 23.37 O HETATM 2264 O HOH 171 18.915 -0.868 17.223 1.00 21.80 O HETATM 2265 O HOH 172 -15.339 10.391 0.266 1.00 16.59 O HETATM 2266 O HOH 173 14.686 -11.765 8.631 1.00 21.56 O HETATM 2267 O HOH 174 -20.920 -3.542 16.292 1.00 18.14 O HETATM 2268 O HOH 175 -0.243 -21.851 19.994 1.00 38.62 O HETATM 2269 O HOH 176 -14.572 8.037 -3.159 1.00 15.73 O HETATM 2270 O HOH 177 2.352 -19.175 16.724 1.00 35.48 O HETATM 2271 O HOH 178 14.639 -9.764 13.478 1.00 31.90 O HETATM 2272 O HOH 179 1.468 10.918 24.245 1.00 39.06 O HETATM 2273 O HOH 180 17.061 -9.805 2.894 1.00 20.46 O HETATM 2274 O HOH 181 -2.229 -6.292 -3.496 1.00 22.47 O HETATM 2275 O HOH 182 12.036 -7.729 -6.233 1.00 21.27 O HETATM 2276 O HOH 183 -18.282 3.204 16.629 1.00 15.23 O HETATM 2277 O HOH 184 2.380 8.756 23.277 1.00 21.97 O HETATM 2278 O HOH 185 -2.838 -1.342 4.167 1.00 21.75 O HETATM 2279 O HOH 186 -9.037 17.460 14.694 1.00 37.15 O HETATM 2280 O HOH 187 1.454 18.001 6.399 1.00 18.08 O HETATM 2281 O HOH 188 17.343 -0.549 10.639 1.00 20.62 O HETATM 2282 O HOH 189 14.877 -8.014 -0.954 1.00 24.08 O HETATM 2283 O HOH 190 -10.373 -3.635 -3.693 1.00 44.35 O HETATM 2284 O HOH 191 -20.156 -1.159 12.503 1.00 21.20 O HETATM 2285 O HOH 192 21.044 -11.487 21.874 1.00 41.62 O HETATM 2286 O HOH 193 -4.559 -23.414 19.855 1.00 31.07 O HETATM 2287 O HOH 194 -13.895 -5.286 2.000 1.00 31.75 O HETATM 2288 O HOH 195 11.737 7.511 7.274 1.00 21.00 O HETATM 2289 O HOH 196 10.021 -11.185 19.443 1.00 25.65 O HETATM 2290 O HOH 197 -16.825 10.958 4.035 1.00 24.16 O HETATM 2291 O HOH 198 -16.101 -11.109 32.467 1.00 23.85 O HETATM 2292 O HOH 199 -8.911 4.118 -12.928 1.00 28.91 O HETATM 2293 O HOH 200 -0.824 9.656 30.342 1.00 37.39 O HETATM 2294 O HOH 201 14.721 -8.492 26.138 1.00 27.74 O HETATM 2295 O HOH 202 23.067 -8.188 20.091 1.00 20.67 O HETATM 2296 O HOH 203 -2.786 7.989 30.779 1.00 40.66 O HETATM 2297 O HOH 204 16.396 1.336 5.665 1.00 43.81 O HETATM 2298 O HOH 205 17.490 -8.938 0.299 1.00 29.93 O HETATM 2299 O HOH 206 12.888 -11.685 22.786 1.00 25.01 O HETATM 2300 O HOH 207 20.726 -10.235 11.917 1.00 28.04 O HETATM 2301 O HOH 208 12.480 4.722 -1.670 1.00 45.27 O HETATM 2302 O HOH 209 -15.998 12.599 2.002 1.00 22.83 O HETATM 2303 O HOH 210 -15.815 -10.849 15.824 1.00 42.45 O HETATM 2304 O HOH 211 -7.208 16.932 17.176 1.00 24.79 O HETATM 2305 O HOH 212 5.449 9.307 -0.367 1.00 29.94 O HETATM 2306 O HOH 213 -5.637 16.722 14.898 1.00 25.33 O HETATM 2307 O HOH 214 -12.185 7.247 26.780 1.00 27.89 O HETATM 2308 O HOH 215 7.748 -6.218 0.375 1.00 24.69 O HETATM 2309 O HOH 216 10.596 -13.140 23.382 1.00 30.21 O HETATM 2310 O HOH 217 -8.460 -3.922 -1.311 1.00 55.72 O HETATM 2311 O HOH 218 -19.289 4.582 26.288 1.00 30.42 O HETATM 2312 O HOH 219 -5.571 -4.048 -0.753 1.00 34.96 O HETATM 2313 O HOH 220 6.892 -17.050 24.628 1.00 34.72 O HETATM 2314 O HOH 221 -15.986 4.670 -5.464 1.00 27.65 O HETATM 2315 O HOH 222 -22.734 -3.170 10.130 1.00 25.83 O HETATM 2316 O HOH 223 -4.851 7.269 28.810 1.00 27.99 O HETATM 2317 O HOH 224 10.434 -7.646 27.691 1.00 23.48 O HETATM 2318 O HOH 225 -16.904 7.278 -1.871 1.00 30.58 O HETATM 2319 O HOH 226 -13.477 5.372 27.922 1.00 24.92 O HETATM 2320 O HOH 227 -18.396 0.431 6.350 1.00 22.80 O HETATM 2321 O HOH 228 8.910 3.274 33.961 1.00 24.55 O HETATM 2322 O HOH 229 -4.556 15.553 10.778 1.00 23.99 O HETATM 2323 O HOH 230 -17.073 -1.656 0.463 1.00 33.49 O HETATM 2324 O HOH 231 -4.371 -4.551 -2.993 1.00 27.45 O HETATM 2325 O HOH 232 -17.767 -8.959 33.434 1.00 32.58 O HETATM 2326 O HOH 233 6.822 -18.083 16.744 1.00 38.98 O HETATM 2327 O HOH 234 -17.588 -10.085 18.570 1.00 29.37 O HETATM 2328 O HOH 235 16.010 -12.453 3.634 1.00 26.85 O HETATM 2329 O HOH 236 -6.469 -5.079 1.391 1.00 40.21 O HETATM 2330 O HOH 237 -15.092 7.398 -5.771 1.00 25.71 O HETATM 2331 O HOH 238 -19.390 -1.363 4.557 1.00 30.58 O HETATM 2332 O HOH 239 17.931 0.898 26.200 1.00 27.85 O HETATM 2333 O HOH 240 -20.186 -10.461 18.044 1.00 41.64 O HETATM 2334 O HOH 241 10.227 -10.262 14.117 1.00 15.29 O HETATM 2335 O HOH 242 -7.834 -7.534 1.213 1.00 40.07 O HETATM 2336 O HOH 243 18.874 0.061 19.781 1.00 23.20 O HETATM 2337 O HOH 244 -4.618 9.389 26.780 1.00 27.26 O HETATM 2338 O HOH 245 3.347 11.740 18.308 1.00 34.27 O HETATM 2339 O HOH 246 4.782 -17.687 26.766 1.00 33.33 O HETATM 2340 O HOH 247 11.496 4.943 31.309 1.00 29.37 O HETATM 2341 O HOH 248 8.625 -1.485 33.319 1.00 28.72 O HETATM 2342 O HOH 249 -7.559 6.746 29.645 1.00 31.10 O HETATM 2343 O HOH 250 13.127 -7.722 28.092 1.00 25.18 O HETATM 2344 O HOH 251 -21.215 6.094 22.968 1.00 26.62 O HETATM 2345 O HOH 252 -6.270 -13.456 23.957 1.00 40.21 O HETATM 2346 O HOH 253 -9.543 6.299 27.857 1.00 30.69 O HETATM 2347 O HOH 254 4.118 10.585 22.294 1.00 40.43 O HETATM 2348 O HOH 255 12.461 -11.772 13.419 1.00 30.07 O HETATM 2349 O HOH 256 -9.223 -12.107 18.769 1.00 32.69 O HETATM 2350 O HOH 257 -21.092 7.101 16.964 1.00 21.87 O HETATM 2351 O HOH 258 3.882 18.310 7.710 1.00 29.32 O HETATM 2352 O HOH 259 10.260 -9.533 25.693 1.00 19.03 O HETATM 2353 O HOH 260 1.221 7.047 35.830 1.00 34.11 O HETATM 2354 O HOH 261 13.130 -9.825 30.413 1.00 48.39 O HETATM 2355 C2 MOL A 262 7.434 -9.846 10.576 1.00 0.55 C HETATM 2356 F1 MOL A 262 8.478 -9.301 11.247 1.00 -0.14 F HETATM 2357 F3 MOL A 262 7.843 -10.629 9.532 1.00 -0.14 F HETATM 2358 F4 MOL A 262 6.631 -8.850 10.139 1.00 -0.14 F HETATM 2359 O5 MOL A 262 6.741 -10.627 11.527 1.00 -0.23 O HETATM 2360 C6 MOL A 262 5.631 -11.343 11.111 1.00 0.09 C HETATM 2361 C14 MOL A 262 5.742 -12.657 10.662 1.00 -0.05 C HETATM 2362 C12 MOL A 262 4.610 -13.356 10.255 1.00 -0.08 C HETATM 2363 C10 MOL A 262 3.369 -12.717 10.283 1.00 -0.05 C HETATM 2364 C9 MOL A 262 3.271 -11.385 10.726 1.00 0.06 C HETATM 2365 C7 MOL A 262 4.398 -10.702 11.149 1.00 -0.01 C HETATM 2366 H17 MOL A 262 4.320 -9.681 11.505 1.00 0.04 H HETATM 2367 N16 MOL A 262 2.036 -10.699 10.796 1.00 -0.23 N HETATM 2368 C18 MOL A 262 1.040 -10.791 9.896 1.00 0.23 C HETATM 2369 C20 MOL A 262 -0.194 -9.969 10.197 1.00 0.14 C HETATM 2370 C29 MOL A 262 -1.221 -10.847 10.949 1.00 -0.01 C HETATM 2371 C26 MOL A 262 -2.575 -10.462 10.307 1.00 -0.03 C HETATM 2372 C23 MOL A 262 -2.225 -10.250 8.819 1.00 0.04 C HETATM 2373 N22 MOL A 262 -0.908 -9.644 8.974 1.00 -0.23 N HETATM 2374 C32 MOL A 262 -0.324 -8.846 8.028 1.00 0.28 C HETATM 2375 O33 MOL A 262 0.778 -8.380 8.281 1.00 -0.39 O HETATM 2376 N34 MOL A 262 -0.918 -8.475 6.853 1.00 -0.24 N HETATM 2377 C36 MOL A 262 -0.364 -7.741 5.836 1.00 0.06 C HETATM 2378 C41 MOL A 262 0.421 -8.403 4.725 1.00 0.00 C HETATM 2379 C42 MOL A 262 0.785 -9.714 4.386 1.00 -0.07 C HETATM 2380 C44 MOL A 262 1.554 -9.910 3.225 1.00 -0.08 C HETATM 2381 C46 MOL A 262 1.940 -8.829 2.415 1.00 -0.08 C HETATM 2382 C48 MOL A 262 1.585 -7.520 2.765 1.00 -0.05 C HETATM 2383 C40 MOL A 262 0.810 -7.337 3.929 1.00 0.06 C HETATM 2384 N39 MOL A 262 0.350 -6.194 4.477 1.00 -0.29 N HETATM 2385 C50 MOL A 262 0.561 -4.868 3.888 1.00 0.03 C HETATM 2386 H5 MOL A 262 0.089 -4.105 4.524 1.00 0.06 H HETATM 2387 H6 MOL A 262 0.112 -4.837 2.884 1.00 0.06 H HETATM 2388 H7 MOL A 262 1.640 -4.667 3.813 1.00 0.06 H HETATM 2389 C37 MOL A 262 -0.340 -6.422 5.586 1.00 0.03 C HETATM 2390 H21 MOL A 262 -0.814 -5.657 6.199 1.00 0.07 H HETATM 2391 H4 MOL A 262 1.896 -6.675 2.161 1.00 0.05 H HETATM 2392 H3 MOL A 262 2.516 -9.009 1.514 1.00 0.05 H HETATM 2393 H2 MOL A 262 1.855 -10.915 2.950 1.00 0.05 H HETATM 2394 H1 MOL A 262 0.482 -10.553 5.002 1.00 0.05 H HETATM 2395 H20 MOL A 262 -1.863 -8.773 6.721 1.00 0.21 H HETATM 2396 H11 MOL A 262 -2.934 -9.572 8.322 1.00 0.05 H HETATM 2397 H12 MOL A 262 -2.178 -11.201 8.268 1.00 0.05 H HETATM 2398 H13 MOL A 262 -3.310 -11.272 10.426 1.00 0.03 H HETATM 2399 H14 MOL A 262 -2.972 -9.538 10.752 1.00 0.03 H HETATM 2400 H15 MOL A 262 -1.218 -10.619 12.025 1.00 0.03 H HETATM 2401 H16 MOL A 262 -1.006 -11.916 10.800 1.00 0.03 H HETATM 2402 H10 MOL A 262 0.075 -9.067 10.765 1.00 0.08 H HETATM 2403 O19 MOL A 262 1.095 -11.477 8.876 1.00 -0.38 O HETATM 2404 H19 MOL A 262 1.891 -10.095 11.580 1.00 0.23 H HETATM 2405 H18 MOL A 262 2.480 -13.248 9.963 1.00 0.04 H HETATM 2406 H8 MOL A 262 4.691 -14.384 9.920 1.00 0.06 H HETATM 2407 H9 MOL A 262 6.714 -13.136 10.630 1.00 0.04 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 234 233 368 CONECT 368 234 367 CONECT 1116 1115 1738 CONECT 1403 1402 1569 CONECT 1569 1403 1568 CONECT 1662 1661 1858 CONECT 1738 1116 1737 CONECT 1858 1662 1857 CONECT 2355 2356 2357 2358 2359 CONECT 2356 2355 CONECT 2357 2355 CONECT 2358 2355 CONECT 2359 2355 2360 CONECT 2360 2359 2361 2365 CONECT 2361 2360 2362 2407 CONECT 2362 2361 2363 2406 CONECT 2363 2362 2364 2405 CONECT 2364 2363 2365 2367 CONECT 2365 2360 2364 2366 CONECT 2366 2365 CONECT 2367 2364 2368 2404 CONECT 2368 2367 2369 2403 CONECT 2369 2368 2370 2373 2402 CONECT 2370 2369 2371 2400 2401 CONECT 2371 2370 2372 2398 2399 CONECT 2372 2371 2373 2396 2397 CONECT 2373 2369 2372 2374 CONECT 2374 2373 2375 2376 CONECT 2375 2374 CONECT 2376 2374 2377 2395 CONECT 2377 2376 2378 2389 CONECT 2378 2377 2379 2383 CONECT 2379 2378 2380 2394 CONECT 2380 2379 2381 2393 CONECT 2381 2380 2382 2392 CONECT 2382 2381 2383 2391 CONECT 2383 2378 2382 2384 CONECT 2384 2383 2385 2389 CONECT 2385 2384 2386 2387 2388 CONECT 2386 2385 CONECT 2387 2385 CONECT 2388 2385 CONECT 2389 2377 2384 2390 CONECT 2390 2389 CONECT 2391 2382 CONECT 2392 2381 CONECT 2393 2380 CONECT 2394 2379 CONECT 2395 2376 CONECT 2396 2372 CONECT 2397 2372 CONECT 2398 2371 CONECT 2399 2371 CONECT 2400 2370 CONECT 2401 2370 CONECT 2402 2369 CONECT 2403 2368 CONECT 2404 2367 CONECT 2405 2363 CONECT 2406 2362 CONECT 2407 2361 MASTER 0 0 0 0 0 0 0 0 2406 1 65 18 END
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5nat
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Complement factor D
Ligand Name
8RT
EC.Number
E.C.3.4.21.46
Resolution
1.17(Å)
Affinity (Kd/Ki/IC50)
IC50=20uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) J.Med.Chem. Vol. 60: pp. 5717-5735
Ligand Properties
Formula
C
2
2
H
2
1
F
3
N
4
O
3
Molecular Weight
446.422
Exact Mass
446.157
No. of atoms
53
No. of bonds
56
Polar Surface Area
75.6
LOGP Value
3.80 (
Computed with XLOGP3
)
4.80 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 4
Canonical SMILES
O=C([C@@H]1CCCN1C(=O)Nc1cn(c2c1cccc2)C)Nc1cccc(c1)OC(F)(F)F
InChI String
InChI=1S/C22H21F3N4O3/c1-28-13-17(16-8-2-3-9-18(16)28)27-21(31)29-11-5-10-19(29)20(30)26-14-6-4-7-15(12-14)32-22(23,24)25/h2-4,6-9,12-13,19H,5,10-11H2,1H3,(H,26,30)(H,27,31)/t19-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P00746
Entrez Gene ID
NCBI Entrez Gene ID:
1675
ASD
Information of known allosteric effects of PDB entries
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