Browse entries in the PDBbind-CN Database
HEADER 6FUH_COMPLEX COMPND 6FUH_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 E A 88 50 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 4.943 1.875 9.677 1.00 9.96 N ATOM 2 CA ILE A 16 4.233 0.556 9.496 1.00 10.75 C ATOM 3 C ILE A 16 2.839 0.683 10.083 1.00 10.21 C ATOM 4 O ILE A 16 2.710 0.989 11.306 1.00 10.77 O ATOM 5 CB ILE A 16 5.007 -0.557 10.177 1.00 10.66 C ATOM 6 CG1 ILE A 16 6.443 -0.698 9.664 1.00 9.68 C ATOM 7 CG2 ILE A 16 4.281 -1.887 10.048 1.00 11.56 C ATOM 8 CD1 ILE A 16 6.632 -1.263 8.275 1.00 10.75 C ATOM 9 HN3 ILE A 16 5.001 2.100 10.691 1.00 0.00 H ATOM 10 HN2 ILE A 16 4.414 2.623 9.184 1.00 0.00 H ATOM 11 HN1 ILE A 16 5.902 1.808 9.280 1.00 0.00 H ATOM 12 N LEU A 17 1.780 0.473 9.294 1.00 12.15 N ATOM 13 CA LEU A 17 0.452 0.342 9.806 1.00 11.24 C ATOM 14 C LEU A 17 0.168 -1.103 10.098 1.00 11.09 C ATOM 15 O LEU A 17 0.445 -2.040 9.335 1.00 12.56 O ATOM 16 CB LEU A 17 -0.576 0.958 8.794 1.00 12.86 C ATOM 17 CG LEU A 17 -0.431 2.435 8.358 1.00 12.27 C ATOM 18 CD1 LEU A 17 -1.636 2.836 7.471 1.00 16.67 C ATOM 19 CD2 LEU A 17 -0.286 3.344 9.613 1.00 14.30 C ATOM 20 H LEU A 17 1.929 0.402 8.267 1.00 0.00 H ATOM 21 N GLY A 18 -0.604 -1.306 11.185 1.00 12.99 N ATOM 22 CA GLY A 18 -1.116 -2.654 11.535 1.00 12.84 C ATOM 23 C GLY A 18 -0.082 -3.668 11.987 1.00 11.50 C ATOM 24 O GLY A 18 -0.164 -4.906 11.900 1.00 15.04 O ATOM 25 H GLY A 18 -0.846 -0.498 11.793 1.00 0.00 H ATOM 26 N GLY A 19 1.084 -3.095 12.389 1.00 12.85 N ATOM 27 CA GLY A 19 2.209 -3.908 12.801 1.00 13.36 C ATOM 28 C GLY A 19 2.341 -4.040 14.321 1.00 13.75 C ATOM 29 O GLY A 19 1.414 -3.768 15.046 1.00 17.27 O ATOM 30 H GLY A 19 1.169 -2.059 12.401 1.00 0.00 H ATOM 31 N ARG A 20 3.536 -4.477 14.736 1.00 12.62 N ATOM 32 CA ARG A 20 3.827 -4.680 16.165 1.00 14.37 C ATOM 33 C ARG A 20 5.273 -4.270 16.370 1.00 12.34 C ATOM 34 O ARG A 20 6.078 -4.251 15.383 1.00 11.76 O ATOM 35 CB ARG A 20 3.748 -6.196 16.587 1.00 20.30 C ATOM 36 CG ARG A 20 2.362 -6.918 16.541 1.00 24.08 C ATOM 37 CD ARG A 20 2.316 -8.270 17.360 1.00 32.90 C ATOM 38 NE ARG A 20 3.682 -8.721 17.822 1.00 49.36 N ATOM 39 CZ ARG A 20 4.138 -8.878 19.108 1.00 50.79 C ATOM 40 NH1 ARG A 20 3.380 -8.646 20.161 1.00 55.87 N ATOM 41 NH2 ARG A 20 5.391 -9.292 19.362 1.00 50.91 N ATOM 42 HE ARG A 20 4.365 -8.941 17.069 1.00 0.00 H ATOM 43 HH12 ARG A 20 3.765 -8.777 21.118 1.00 0.00 H ATOM 44 HH11 ARG A 20 2.397 -8.332 20.035 1.00 0.00 H ATOM 45 HH22 ARG A 20 5.713 -9.403 20.345 1.00 0.00 H ATOM 46 HH21 ARG A 20 6.039 -9.501 18.576 1.00 0.00 H ATOM 47 H ARG A 20 4.276 -4.678 14.033 1.00 0.00 H ATOM 48 N GLU A 21 5.644 -3.979 17.609 1.00 13.49 N ATOM 49 CA GLU A 21 7.070 -3.700 17.917 1.00 13.55 C ATOM 50 C GLU A 21 7.911 -4.807 17.608 1.00 12.37 C ATOM 51 O GLU A 21 7.639 -5.976 17.906 1.00 16.29 O ATOM 52 CB GLU A 21 7.260 -3.230 19.395 1.00 18.35 C ATOM 53 CG GLU A 21 8.626 -2.486 19.685 1.00 15.82 C ATOM 54 CD GLU A 21 8.875 -1.972 21.009 1.00 20.84 C ATOM 55 OE1 GLU A 21 7.981 -1.651 21.836 1.00 20.35 O ATOM 56 OE2 GLU A 21 10.025 -1.713 21.224 1.00 22.05 O ATOM 57 H GLU A 21 4.934 -3.946 18.368 1.00 0.00 H ATOM 58 N ALA A 22 8.979 -4.598 16.832 1.00 11.90 N ATOM 59 CA ALA A 22 9.896 -5.653 16.481 1.00 11.72 C ATOM 60 C ALA A 22 10.793 -6.006 17.724 1.00 11.99 C ATOM 61 O ALA A 22 10.989 -5.213 18.580 1.00 14.29 O ATOM 62 CB ALA A 22 10.882 -5.154 15.379 1.00 11.52 C ATOM 63 H ALA A 22 9.155 -3.640 16.468 1.00 0.00 H ATOM 64 N GLU A 23 11.273 -7.252 17.736 1.00 14.78 N ATOM 65 CA GLU A 23 12.290 -7.722 18.741 1.00 13.79 C ATOM 66 C GLU A 23 13.597 -6.908 18.494 1.00 12.79 C ATOM 67 O GLU A 23 14.175 -6.902 17.418 1.00 11.90 O ATOM 68 CB GLU A 23 12.508 -9.176 18.556 1.00 18.64 C ATOM 69 CG GLU A 23 13.424 -9.782 19.530 1.00 21.53 C ATOM 70 CD GLU A 23 13.792 -11.265 19.281 1.00 32.29 C ATOM 71 OE1 GLU A 23 13.314 -12.014 18.331 1.00 36.81 O ATOM 72 OE2 GLU A 23 14.697 -11.671 20.064 1.00 44.20 O ATOM 73 H GLU A 23 10.930 -7.925 17.021 1.00 0.00 H ATOM 74 N ALA A 24 14.021 -6.275 19.524 1.00 12.67 N ATOM 75 CA ALA A 24 15.217 -5.361 19.473 1.00 11.03 C ATOM 76 C ALA A 24 16.405 -6.106 18.909 1.00 12.63 C ATOM 77 O ALA A 24 16.732 -7.231 19.331 1.00 13.18 O ATOM 78 CB ALA A 24 15.544 -4.852 20.849 1.00 12.88 C ATOM 79 H ALA A 24 13.521 -6.397 20.428 1.00 0.00 H ATOM 80 N HIS A 25 16.983 -5.554 17.834 1.00 10.57 N ATOM 81 CA HIS A 25 18.156 -6.153 17.227 1.00 11.27 C ATOM 82 C HIS A 25 18.056 -7.460 16.480 1.00 11.69 C ATOM 83 O HIS A 25 19.091 -8.027 16.068 1.00 11.55 O ATOM 84 CB HIS A 25 19.353 -6.154 18.237 1.00 10.39 C ATOM 85 CG HIS A 25 19.419 -4.879 18.970 1.00 9.37 C ATOM 86 ND1 HIS A 25 19.749 -3.631 18.411 1.00 9.69 N ATOM 87 CD2 HIS A 25 19.178 -4.628 20.276 1.00 9.80 C ATOM 88 CE1 HIS A 25 19.677 -2.716 19.351 1.00 9.73 C ATOM 89 NE2 HIS A 25 19.271 -3.271 20.497 1.00 11.19 N ATOM 90 H HIS A 25 16.585 -4.683 17.429 1.00 0.00 H ATOM 91 N ALA A 26 16.814 -7.939 16.263 1.00 9.73 N ATOM 92 CA ALA A 26 16.645 -9.191 15.535 1.00 11.95 C ATOM 93 C ALA A 26 16.739 -9.053 14.022 1.00 9.90 C ATOM 94 O ALA A 26 16.817 -10.087 13.338 1.00 14.01 O ATOM 95 CB ALA A 26 15.306 -9.795 15.808 1.00 13.95 C ATOM 96 H ALA A 26 15.983 -7.419 16.612 1.00 0.00 H ATOM 97 N ARG A 27 16.863 -7.801 13.531 1.00 10.14 N ATOM 98 CA ARG A 27 17.050 -7.551 12.080 1.00 10.02 C ATOM 99 C ARG A 27 18.284 -6.654 12.050 1.00 10.03 C ATOM 100 O ARG A 27 18.219 -5.388 11.901 1.00 9.96 O ATOM 101 CB ARG A 27 15.816 -6.830 11.542 1.00 9.50 C ATOM 102 CG ARG A 27 14.592 -7.735 11.569 1.00 10.29 C ATOM 103 CD ARG A 27 13.324 -6.941 11.341 1.00 12.02 C ATOM 104 NE ARG A 27 12.121 -7.760 11.357 1.00 12.52 N ATOM 105 CZ ARG A 27 11.580 -8.312 12.433 1.00 13.43 C ATOM 106 NH1 ARG A 27 12.081 -8.056 13.639 1.00 12.86 N ATOM 107 NH2 ARG A 27 10.540 -9.114 12.332 1.00 16.98 N ATOM 108 HE ARG A 27 11.646 -7.926 10.447 1.00 0.00 H ATOM 109 HH12 ARG A 27 11.655 -8.491 14.482 1.00 0.00 H ATOM 110 HH11 ARG A 27 12.899 -7.421 13.738 1.00 0.00 H ATOM 111 HH22 ARG A 27 10.127 -9.540 13.186 1.00 0.00 H ATOM 112 HH21 ARG A 27 10.132 -9.322 11.398 1.00 0.00 H ATOM 113 H ARG A 27 16.827 -6.993 14.185 1.00 0.00 H ATOM 114 N PRO A 28 19.453 -7.245 12.129 1.00 9.94 N ATOM 115 CA PRO A 28 20.682 -6.487 12.266 1.00 10.10 C ATOM 116 C PRO A 28 21.128 -5.741 11.025 1.00 8.87 C ATOM 117 O PRO A 28 22.090 -4.930 11.061 1.00 8.95 O ATOM 118 CB PRO A 28 21.684 -7.556 12.649 1.00 13.57 C ATOM 119 CG PRO A 28 21.182 -8.883 12.256 1.00 14.87 C ATOM 120 CD PRO A 28 19.659 -8.716 12.308 1.00 13.04 C ATOM 121 N TYR A 29 20.416 -5.965 9.941 1.00 8.05 N ATOM 122 CA TYR A 29 20.638 -5.275 8.651 1.00 7.65 C ATOM 123 C TYR A 29 19.853 -3.938 8.601 1.00 8.29 C ATOM 124 O TYR A 29 19.993 -3.218 7.601 1.00 8.36 O ATOM 125 CB TYR A 29 20.190 -6.182 7.532 1.00 7.99 C ATOM 126 CG TYR A 29 18.779 -6.751 7.701 1.00 8.58 C ATOM 127 CD1 TYR A 29 17.654 -6.025 7.442 1.00 8.86 C ATOM 128 CD2 TYR A 29 18.594 -8.037 8.188 1.00 10.04 C ATOM 129 CE1 TYR A 29 16.369 -6.543 7.564 1.00 9.70 C ATOM 130 CE2 TYR A 29 17.349 -8.561 8.388 1.00 10.79 C ATOM 131 CZ TYR A 29 16.196 -7.821 8.100 1.00 12.38 C ATOM 132 OH TYR A 29 14.923 -8.290 8.226 1.00 15.14 O ATOM 133 HH TYR A 29 14.284 -7.581 7.963 1.00 0.00 H ATOM 134 H TYR A 29 19.652 -6.669 9.994 1.00 0.00 H ATOM 135 N MET A 30 18.923 -3.735 9.539 1.00 7.36 N ATOM 136 CA MET A 30 18.026 -2.580 9.411 1.00 7.69 C ATOM 137 C MET A 30 18.749 -1.266 9.655 1.00 8.21 C ATOM 138 O MET A 30 19.427 -1.190 10.671 1.00 8.78 O ATOM 139 CB MET A 30 16.884 -2.686 10.455 1.00 9.40 C ATOM 140 CG MET A 30 15.733 -1.755 10.240 1.00 11.07 C ATOM 141 SD MET A 30 14.852 -2.089 8.694 1.00 12.37 S ATOM 142 CE MET A 30 14.370 -0.461 8.371 1.00 12.48 C ATOM 143 H MET A 30 18.836 -4.385 10.346 1.00 0.00 H ATOM 144 N ALA A 31 18.516 -0.286 8.814 1.00 7.09 N ATOM 145 CA ALA A 31 19.090 1.036 8.937 1.00 6.74 C ATOM 146 C ALA A 31 18.039 2.085 8.954 1.00 6.03 C ATOM 147 O ALA A 31 17.007 1.949 8.323 1.00 6.97 O ATOM 148 CB ALA A 31 20.002 1.236 7.714 1.00 7.93 C ATOM 149 H ALA A 31 17.881 -0.471 8.011 1.00 0.00 H ATOM 150 N SER A 32 18.328 3.132 9.730 1.00 7.31 N ATOM 151 CA SER A 32 17.530 4.392 9.669 1.00 7.25 C ATOM 152 C SER A 32 18.318 5.469 8.896 1.00 6.96 C ATOM 153 O SER A 32 19.445 5.757 9.335 1.00 7.75 O ATOM 154 CB SER A 32 17.222 4.851 11.046 1.00 8.12 C ATOM 155 OG SER A 32 16.676 6.188 11.034 1.00 7.71 O ATOM 156 HG SER A 32 15.842 6.198 10.501 1.00 0.00 H ATOM 157 H SER A 32 19.127 3.068 10.392 1.00 0.00 H ATOM 158 N VAL A 33 17.823 5.873 7.762 1.00 7.16 N ATOM 159 CA VAL A 33 18.404 6.972 7.004 1.00 6.98 C ATOM 160 C VAL A 33 17.855 8.234 7.610 1.00 7.79 C ATOM 161 O VAL A 33 16.638 8.423 7.591 1.00 8.74 O ATOM 162 CB VAL A 33 18.113 6.798 5.475 1.00 8.24 C ATOM 163 CG1 VAL A 33 18.658 7.984 4.678 1.00 9.37 C ATOM 164 CG2 VAL A 33 18.658 5.499 4.986 1.00 8.02 C ATOM 165 H VAL A 33 16.982 5.393 7.383 1.00 0.00 H ATOM 166 N GLN A 34 18.793 9.096 8.051 1.00 8.72 N ATOM 167 CA GLN A 34 18.497 10.292 8.797 1.00 10.29 C ATOM 168 C GLN A 34 18.892 11.551 7.999 1.00 10.52 C ATOM 169 O GLN A 34 19.884 11.532 7.333 1.00 11.46 O ATOM 170 CB GLN A 34 19.195 10.254 10.060 1.00 11.95 C ATOM 171 CG GLN A 34 18.762 8.987 10.788 1.00 14.31 C ATOM 172 CD GLN A 34 18.586 9.153 12.216 1.00 12.46 C ATOM 173 OE1 GLN A 34 19.264 9.939 12.871 1.00 20.88 O ATOM 174 NE2 GLN A 34 17.764 8.244 12.760 1.00 13.57 N ATOM 175 HE22 GLN A 34 17.216 7.606 12.148 1.00 0.00 H ATOM 176 HE21 GLN A 34 17.674 8.177 13.794 1.00 0.00 H ATOM 177 H GLN A 34 19.789 8.885 7.840 1.00 0.00 H ATOM 178 N LEU A 35 18.045 12.578 8.158 1.00 9.65 N ATOM 179 CA LEU A 35 18.260 13.894 7.569 1.00 10.22 C ATOM 180 C LEU A 35 18.242 14.888 8.684 1.00 12.07 C ATOM 181 O LEU A 35 17.200 15.014 9.344 1.00 13.15 O ATOM 182 CB LEU A 35 17.205 14.168 6.450 1.00 13.27 C ATOM 183 CG LEU A 35 17.360 15.532 5.832 1.00 15.27 C ATOM 184 CD1 LEU A 35 18.668 15.510 5.026 1.00 17.65 C ATOM 185 CD2 LEU A 35 16.186 15.795 4.943 1.00 18.38 C ATOM 186 H LEU A 35 17.190 12.428 8.731 1.00 0.00 H ATOM 187 N ASN A 36 19.385 15.604 8.909 1.00 13.08 N ATOM 188 CA ASN A 36 19.387 16.621 9.979 1.00 15.04 C ATOM 189 C ASN A 36 18.931 16.031 11.299 1.00 16.75 C ATOM 190 O ASN A 36 18.304 16.631 12.164 1.00 17.08 O ATOM 191 CB ASN A 36 18.625 17.854 9.568 1.00 16.45 C ATOM 192 CG ASN A 36 19.245 18.494 8.339 1.00 15.25 C ATOM 193 OD1 ASN A 36 20.504 18.533 8.244 1.00 16.58 O ATOM 194 ND2 ASN A 36 18.434 19.000 7.368 1.00 21.01 N ATOM 195 HD22 ASN A 36 17.401 18.952 7.476 1.00 0.00 H ATOM 196 HD21 ASN A 36 18.848 19.434 6.518 1.00 0.00 H ATOM 197 H ASN A 36 20.237 15.435 8.337 1.00 0.00 H ATOM 198 N GLY A 38 19.482 14.676 11.584 1.00 13.91 N ATOM 199 CA GLY A 38 19.237 14.101 12.900 1.00 12.97 C ATOM 200 C GLY A 38 17.914 13.600 13.165 1.00 15.79 C ATOM 201 O GLY A 38 17.666 13.118 14.287 1.00 20.63 O ATOM 202 H GLY A 38 20.025 14.156 10.865 1.00 0.00 H ATOM 203 N ALA A 39 17.059 13.539 12.151 1.00 12.38 N ATOM 204 CA ALA A 39 15.714 12.892 12.267 1.00 12.52 C ATOM 205 C ALA A 39 15.632 11.697 11.285 1.00 9.63 C ATOM 206 O ALA A 39 16.087 11.744 10.150 1.00 10.09 O ATOM 207 CB ALA A 39 14.646 13.895 11.927 1.00 13.73 C ATOM 208 H ALA A 39 17.335 13.957 11.240 1.00 0.00 H ATOM 209 N HIS A 40 14.874 10.696 11.750 1.00 9.25 N ATOM 210 CA HIS A 40 14.600 9.582 10.852 1.00 8.22 C ATOM 211 C HIS A 40 13.839 10.129 9.645 1.00 8.59 C ATOM 212 O HIS A 40 12.757 10.748 9.794 1.00 10.11 O ATOM 213 CB HIS A 40 13.732 8.535 11.563 1.00 7.45 C ATOM 214 CG HIS A 40 13.235 7.470 10.697 1.00 7.65 C ATOM 215 ND1 HIS A 40 14.024 6.408 10.299 1.00 7.94 N ATOM 216 CD2 HIS A 40 12.078 7.369 10.019 1.00 7.90 C ATOM 217 CE1 HIS A 40 13.375 5.744 9.378 1.00 7.49 C ATOM 218 NE2 HIS A 40 12.160 6.213 9.274 1.00 7.19 N ATOM 219 H HIS A 40 14.494 10.713 12.718 1.00 0.00 H ATOM 220 N LEU A 41 14.259 9.720 8.446 1.00 8.51 N ATOM 221 CA LEU A 41 13.606 10.000 7.202 1.00 9.79 C ATOM 222 C LEU A 41 13.060 8.755 6.506 1.00 8.95 C ATOM 223 O LEU A 41 11.889 8.750 6.079 1.00 10.15 O ATOM 224 CB LEU A 41 14.626 10.819 6.302 1.00 11.52 C ATOM 225 CG LEU A 41 14.107 11.113 4.937 1.00 13.60 C ATOM 226 CD1 LEU A 41 12.886 12.048 4.970 1.00 16.72 C ATOM 227 CD2 LEU A 41 15.261 11.696 4.154 1.00 16.59 C ATOM 228 H LEU A 41 15.130 9.153 8.412 1.00 0.00 H ATOM 229 N CYS A 42 13.939 7.795 6.281 1.00 8.07 N ATOM 230 CA CYS A 42 13.617 6.574 5.547 1.00 9.10 C ATOM 231 C CYS A 42 14.208 5.384 6.136 1.00 7.35 C ATOM 232 O CYS A 42 15.170 5.468 6.877 1.00 7.49 O ATOM 233 CB CYS A 42 14.151 6.707 4.008 1.00 10.01 C ATOM 234 SG CYS A 42 12.996 7.679 2.998 1.00 11.07 S ATOM 235 H CYS A 42 14.906 7.914 6.644 1.00 0.00 H ATOM 236 N GLY A 43 13.722 4.199 5.759 1.00 7.75 N ATOM 237 CA GLY A 43 14.426 2.982 6.015 1.00 9.36 C ATOM 238 C GLY A 43 15.578 2.791 5.064 1.00 8.43 C ATOM 239 O GLY A 43 15.733 3.446 4.036 1.00 7.93 O ATOM 240 H GLY A 43 12.807 4.161 5.266 1.00 0.00 H ATOM 241 N GLY A 44 16.377 1.797 5.381 1.00 8.37 N ATOM 242 CA GLY A 44 17.444 1.303 4.548 1.00 7.42 C ATOM 243 C GLY A 44 17.853 -0.076 4.979 1.00 6.72 C ATOM 244 O GLY A 44 17.439 -0.565 6.055 1.00 6.83 O ATOM 245 H GLY A 44 16.228 1.333 6.300 1.00 0.00 H ATOM 246 N VAL A 45 18.790 -0.676 4.222 1.00 6.18 N ATOM 247 CA VAL A 45 19.270 -2.023 4.530 1.00 6.61 C ATOM 248 C VAL A 45 20.754 -2.122 4.313 1.00 7.67 C ATOM 249 O VAL A 45 21.216 -1.768 3.190 1.00 6.87 O ATOM 250 CB VAL A 45 18.518 -3.084 3.685 1.00 9.20 C ATOM 251 CG1 VAL A 45 18.272 -2.824 2.229 1.00 14.59 C ATOM 252 CG2 VAL A 45 18.891 -4.461 3.958 1.00 8.86 C ATOM 253 H VAL A 45 19.181 -0.171 3.401 1.00 0.00 H ATOM 254 N LEU A 46 21.488 -2.579 5.287 1.00 7.30 N ATOM 255 CA LEU A 46 22.907 -2.804 5.130 1.00 6.93 C ATOM 256 C LEU A 46 23.099 -3.993 4.201 1.00 7.17 C ATOM 257 O LEU A 46 22.645 -5.103 4.516 1.00 7.83 O ATOM 258 CB LEU A 46 23.537 -3.051 6.476 1.00 8.31 C ATOM 259 CG LEU A 46 25.034 -3.154 6.558 1.00 8.30 C ATOM 260 CD1 LEU A 46 25.708 -1.842 6.150 1.00 9.83 C ATOM 261 CD2 LEU A 46 25.479 -3.635 7.922 1.00 8.67 C ATOM 262 H LEU A 46 21.041 -2.788 6.203 1.00 0.00 H ATOM 263 N VAL A 47 23.735 -3.771 3.050 1.00 8.61 N ATOM 264 CA VAL A 47 23.947 -4.792 2.028 1.00 8.62 C ATOM 265 C VAL A 47 25.399 -5.175 1.841 1.00 9.16 C ATOM 266 O VAL A 47 25.628 -6.142 1.085 1.00 10.03 O ATOM 267 CB VAL A 47 23.279 -4.464 0.700 1.00 8.30 C ATOM 268 CG1 VAL A 47 21.769 -4.454 0.797 1.00 9.89 C ATOM 269 CG2 VAL A 47 23.787 -3.196 0.113 1.00 10.29 C ATOM 270 H VAL A 47 24.101 -2.815 2.870 1.00 0.00 H ATOM 271 N ALA A 48 26.322 -4.419 2.407 1.00 8.90 N ATOM 272 CA ALA A 48 27.767 -4.713 2.276 1.00 9.82 C ATOM 273 C ALA A 48 28.337 -4.037 3.515 1.00 11.30 C ATOM 274 O ALA A 48 27.652 -3.273 4.252 1.00 14.50 O ATOM 275 CB ALA A 48 28.297 -4.238 0.963 1.00 11.02 C ATOM 276 H ALA A 48 26.025 -3.591 2.962 1.00 0.00 H ATOM 277 N GLU A 49 29.676 -4.199 3.655 1.00 12.74 N ATOM 278 CA GLU A 49 30.232 -3.639 4.778 1.00 15.13 C ATOM 279 C GLU A 49 30.173 -2.099 4.899 1.00 12.36 C ATOM 280 O GLU A 49 30.087 -1.545 6.025 1.00 13.86 O ATOM 281 CB GLU A 49 31.720 -3.995 4.674 1.00 19.68 C ATOM 282 CG GLU A 49 32.075 -5.453 4.821 1.00 25.76 C ATOM 283 CD GLU A 49 33.486 -5.435 5.323 1.00 37.63 C ATOM 284 OE1 GLU A 49 33.602 -5.322 6.622 1.00 43.92 O ATOM 285 OE2 GLU A 49 34.383 -5.384 4.379 1.00 39.75 O ATOM 286 H GLU A 49 30.246 -4.715 2.955 1.00 0.00 H ATOM 287 N GLN A 50 30.213 -1.423 3.754 1.00 9.57 N ATOM 288 CA GLN A 50 30.279 0.008 3.687 1.00 7.79 C ATOM 289 C GLN A 50 29.106 0.628 2.919 1.00 8.50 C ATOM 290 O GLN A 50 29.103 1.851 2.665 1.00 9.11 O ATOM 291 CB GLN A 50 31.627 0.453 3.093 1.00 9.60 C ATOM 292 CG GLN A 50 32.067 1.834 3.561 1.00 10.18 C ATOM 293 CD GLN A 50 33.459 2.254 3.129 1.00 14.07 C ATOM 294 OE1 GLN A 50 34.347 1.365 2.945 1.00 21.30 O ATOM 295 NE2 GLN A 50 33.705 3.549 3.161 1.00 13.96 N ATOM 296 HE22 GLN A 50 32.928 4.222 3.316 1.00 0.00 H ATOM 297 HE21 GLN A 50 34.676 3.897 3.031 1.00 0.00 H ATOM 298 H GLN A 50 30.196 -1.959 2.863 1.00 0.00 H ATOM 299 N TRP A 51 28.052 -0.135 2.687 1.00 8.90 N ATOM 300 CA TRP A 51 26.965 0.339 1.835 1.00 8.17 C ATOM 301 C TRP A 51 25.594 -0.034 2.355 1.00 7.24 C ATOM 302 O TRP A 51 25.332 -1.198 2.715 1.00 7.08 O ATOM 303 CB TRP A 51 27.092 -0.232 0.420 1.00 8.24 C ATOM 304 CG TRP A 51 28.252 0.234 -0.340 1.00 7.52 C ATOM 305 CD1 TRP A 51 29.525 -0.339 -0.389 1.00 10.43 C ATOM 306 CD2 TRP A 51 28.291 1.354 -1.234 1.00 8.34 C ATOM 307 NE1 TRP A 51 30.303 0.428 -1.231 1.00 11.75 N ATOM 308 CE2 TRP A 51 29.607 1.438 -1.807 1.00 8.80 C ATOM 309 CE3 TRP A 51 27.345 2.300 -1.629 1.00 8.22 C ATOM 310 CZ2 TRP A 51 29.895 2.387 -2.682 1.00 10.38 C ATOM 311 CZ3 TRP A 51 27.671 3.305 -2.532 1.00 10.12 C ATOM 312 CH2 TRP A 51 28.976 3.296 -3.052 1.00 10.14 C ATOM 313 HE1 TRP A 51 31.313 0.251 -1.405 1.00 0.00 H ATOM 314 H TRP A 51 27.996 -1.081 3.115 1.00 0.00 H ATOM 315 N VAL A 52 24.726 0.967 2.322 1.00 6.00 N ATOM 316 CA VAL A 52 23.334 0.847 2.683 1.00 6.22 C ATOM 317 C VAL A 52 22.454 1.127 1.475 1.00 6.64 C ATOM 318 O VAL A 52 22.659 2.158 0.791 1.00 7.73 O ATOM 319 CB VAL A 52 22.973 1.791 3.867 1.00 7.04 C ATOM 320 CG1 VAL A 52 21.526 1.895 4.095 1.00 7.33 C ATOM 321 CG2 VAL A 52 23.638 1.260 5.047 1.00 8.03 C ATOM 322 H VAL A 52 25.070 1.899 2.016 1.00 0.00 H ATOM 323 N LEU A 53 21.494 0.230 1.231 1.00 6.92 N ATOM 324 CA LEU A 53 20.552 0.434 0.114 1.00 6.66 C ATOM 325 C LEU A 53 19.243 1.021 0.604 1.00 6.91 C ATOM 326 O LEU A 53 18.750 0.614 1.699 1.00 7.14 O ATOM 327 CB LEU A 53 20.313 -0.935 -0.535 1.00 7.33 C ATOM 328 CG LEU A 53 19.321 -1.033 -1.733 1.00 8.09 C ATOM 329 CD1 LEU A 53 19.907 -0.277 -2.885 1.00 9.06 C ATOM 330 CD2 LEU A 53 19.032 -2.462 -2.140 1.00 9.12 C ATOM 331 H LEU A 53 21.411 -0.615 1.831 1.00 0.00 H ATOM 332 N SER A 54 18.734 1.990 -0.132 1.00 7.21 N ATOM 333 CA SER A 54 17.499 2.670 0.283 1.00 6.74 C ATOM 334 C SER A 54 16.800 3.116 -1.027 1.00 6.29 C ATOM 335 O SER A 54 17.016 2.509 -2.059 1.00 7.39 O ATOM 336 CB SER A 54 17.870 3.833 1.206 1.00 7.59 C ATOM 337 OG SER A 54 16.692 4.486 1.703 1.00 7.82 O ATOM 338 HG SER A 54 16.146 3.836 2.212 1.00 0.00 H ATOM 339 H SER A 54 19.210 2.275 -1.012 1.00 0.00 H ATOM 340 N ALA A 55 15.882 4.073 -0.892 1.00 7.34 N ATOM 341 CA ALA A 55 15.077 4.540 -2.054 1.00 6.98 C ATOM 342 C ALA A 55 15.561 5.916 -2.494 1.00 6.70 C ATOM 343 O ALA A 55 15.720 6.777 -1.667 1.00 9.68 O ATOM 344 CB ALA A 55 13.621 4.564 -1.753 1.00 8.70 C ATOM 345 H ALA A 55 15.725 4.501 0.043 1.00 0.00 H ATOM 346 N ALA A 56 15.599 6.134 -3.813 1.00 8.11 N ATOM 347 CA ALA A 56 16.030 7.459 -4.323 1.00 10.14 C ATOM 348 C ALA A 56 15.096 8.582 -3.970 1.00 8.36 C ATOM 349 O ALA A 56 15.529 9.703 -3.739 1.00 10.30 O ATOM 350 CB ALA A 56 16.139 7.348 -5.889 1.00 9.58 C ATOM 351 H ALA A 56 15.328 5.380 -4.476 1.00 0.00 H ATOM 352 N HIS A 57 13.800 8.301 -3.909 1.00 7.44 N ATOM 353 CA HIS A 57 12.875 9.375 -3.574 1.00 9.01 C ATOM 354 C HIS A 57 13.180 9.934 -2.168 1.00 9.42 C ATOM 355 O HIS A 57 12.865 11.082 -1.913 1.00 10.52 O ATOM 356 CB HIS A 57 11.433 8.945 -3.588 1.00 10.50 C ATOM 357 CG HIS A 57 10.821 8.614 -4.920 1.00 15.84 C ATOM 358 ND1 HIS A 57 10.782 9.492 -5.989 1.00 18.34 N ATOM 359 CD2 HIS A 57 10.134 7.507 -5.320 1.00 17.79 C ATOM 360 CE1 HIS A 57 10.136 8.934 -7.016 1.00 18.14 C ATOM 361 NE2 HIS A 57 9.758 7.708 -6.640 1.00 16.66 N ATOM 362 H HIS A 57 13.454 7.338 -4.096 1.00 0.00 H ATOM 363 N CYS A 58 13.815 9.166 -1.285 1.00 9.23 N ATOM 364 CA CYS A 58 14.158 9.664 0.055 1.00 11.41 C ATOM 365 C CYS A 58 14.961 10.931 -0.021 1.00 11.00 C ATOM 366 O CYS A 58 14.748 11.816 0.886 1.00 14.58 O ATOM 367 CB CYS A 58 14.801 8.632 0.836 1.00 10.82 C ATOM 368 SG CYS A 58 13.762 7.204 1.168 1.00 11.68 S ATOM 369 H CYS A 58 14.074 8.194 -1.549 1.00 0.00 H ATOM 370 N LEU A 59 15.882 11.027 -0.970 1.00 13.60 N ATOM 371 CA LEU A 59 16.759 12.224 -0.974 1.00 13.14 C ATOM 372 C LEU A 59 16.484 13.223 -2.036 1.00 16.69 C ATOM 373 O LEU A 59 17.197 14.243 -2.141 1.00 19.59 O ATOM 374 CB LEU A 59 18.226 11.708 -1.025 1.00 17.94 C ATOM 375 CG LEU A 59 18.729 10.928 0.186 1.00 20.32 C ATOM 376 CD1 LEU A 59 20.176 10.762 -0.072 1.00 24.90 C ATOM 377 CD2 LEU A 59 18.549 11.500 1.566 1.00 22.27 C ATOM 378 H LEU A 59 15.987 10.285 -1.691 1.00 0.00 H ATOM 379 N GLU A 60 15.381 13.004 -2.738 1.00 20.19 N ATOM 380 CA GLU A 60 14.962 13.869 -3.856 1.00 28.90 C ATOM 381 C GLU A 60 15.130 15.267 -3.539 1.00 31.53 C ATOM 382 O GLU A 60 15.615 16.079 -4.385 1.00 36.25 O ATOM 383 CB GLU A 60 13.420 13.758 -4.027 1.00 25.71 C ATOM 384 CG GLU A 60 13.328 12.964 -5.151 1.00 32.19 C ATOM 385 CD GLU A 60 11.902 12.563 -5.416 1.00 27.33 C ATOM 386 OE1 GLU A 60 10.853 13.224 -5.140 1.00 30.82 O ATOM 387 OE2 GLU A 60 11.906 11.543 -5.980 1.00 22.19 O ATOM 388 H GLU A 60 14.786 12.188 -2.490 1.00 0.00 H ATOM 389 N ASP A 61 14.587 15.614 -2.371 1.00 26.11 N ATOM 390 CA ASP A 61 14.485 17.015 -1.985 1.00 30.98 C ATOM 391 C ASP A 61 15.467 17.339 -0.810 1.00 26.88 C ATOM 392 O ASP A 61 15.342 18.341 -0.205 1.00 34.01 O ATOM 393 CB ASP A 61 13.050 17.274 -1.390 1.00 34.06 C ATOM 394 H ASP A 61 14.233 14.876 -1.729 1.00 0.00 H ATOM 395 N ALA A 61A 16.457 16.505 -0.488 1.00 22.27 N ATOM 396 CA ALA A 61A 17.338 16.665 0.677 1.00 20.93 C ATOM 397 C ALA A 61A 18.281 17.834 0.548 1.00 18.44 C ATOM 398 O ALA A 61A 18.830 18.250 1.578 1.00 22.48 O ATOM 399 CB ALA A 61A 18.157 15.372 0.917 1.00 20.53 C ATOM 400 H ALA A 61A 16.617 15.683 -1.105 1.00 0.00 H ATOM 401 N ALA A 61B 18.536 18.289 -0.674 1.00 23.22 N ATOM 402 CA ALA A 61B 19.460 19.382 -0.979 1.00 24.91 C ATOM 403 C ALA A 61B 20.781 19.104 -0.264 1.00 21.37 C ATOM 404 O ALA A 61B 21.325 18.026 -0.511 1.00 22.95 O ATOM 405 CB ALA A 61B 18.890 20.733 -0.590 1.00 25.18 C ATOM 406 H ALA A 61B 18.044 17.836 -1.470 1.00 0.00 H ATOM 407 N ASP A 61C 21.305 20.009 0.612 1.00 19.22 N ATOM 408 CA ASP A 61C 22.671 19.788 1.312 1.00 16.81 C ATOM 409 C ASP A 61C 22.491 19.579 2.823 1.00 19.84 C ATOM 410 O ASP A 61C 23.307 19.946 3.642 1.00 20.42 O ATOM 411 CB ASP A 61C 23.618 20.960 0.920 1.00 17.39 C ATOM 412 CG ASP A 61C 23.884 21.008 -0.622 1.00 16.56 C ATOM 413 OD1 ASP A 61C 24.124 19.813 -1.214 1.00 21.88 O ATOM 414 OD2 ASP A 61C 24.004 22.164 -1.286 1.00 14.44 O ATOM 415 H ASP A 61C 20.770 20.877 0.817 1.00 0.00 H ATOM 416 N GLY A 62 21.312 18.977 3.162 1.00 19.39 N ATOM 417 CA GLY A 62 21.045 18.570 4.546 1.00 17.52 C ATOM 418 C GLY A 62 22.040 17.474 4.920 1.00 14.60 C ATOM 419 O GLY A 62 22.617 16.862 4.036 1.00 19.13 O ATOM 420 H GLY A 62 20.594 18.805 2.429 1.00 0.00 H ATOM 421 N LYS A 63 22.165 17.248 6.231 1.00 12.63 N ATOM 422 CA LYS A 63 23.180 16.335 6.759 1.00 11.92 C ATOM 423 C LYS A 63 22.486 14.896 6.681 1.00 13.00 C ATOM 424 O LYS A 63 21.505 14.662 7.403 1.00 12.05 O ATOM 425 CB LYS A 63 23.475 16.638 8.202 1.00 14.17 C ATOM 426 CG LYS A 63 24.534 15.702 8.743 1.00 18.50 C ATOM 427 CD LYS A 63 25.129 16.189 10.075 1.00 17.56 C ATOM 428 CE LYS A 63 24.073 16.286 11.090 1.00 17.51 C ATOM 429 NZ LYS A 63 24.688 16.637 12.400 1.00 26.57 N ATOM 430 HZ1 LYS A 63 25.368 15.899 12.671 1.00 0.00 H ATOM 431 HZ2 LYS A 63 25.180 17.550 12.317 1.00 0.00 H ATOM 432 HZ3 LYS A 63 23.944 16.707 13.123 1.00 0.00 H ATOM 433 H LYS A 63 21.525 17.733 6.893 1.00 0.00 H ATOM 434 N VAL A 64 22.985 14.046 5.816 1.00 11.11 N ATOM 435 CA VAL A 64 22.497 12.647 5.607 1.00 11.16 C ATOM 436 C VAL A 64 23.375 11.642 6.325 1.00 10.18 C ATOM 437 O VAL A 64 24.558 11.609 6.132 1.00 9.83 O ATOM 438 CB VAL A 64 22.395 12.266 4.139 1.00 12.35 C ATOM 439 CG1 VAL A 64 22.016 10.790 3.960 1.00 16.00 C ATOM 440 CG2 VAL A 64 21.437 13.142 3.374 1.00 14.88 C ATOM 441 H VAL A 64 23.781 14.369 5.230 1.00 0.00 H ATOM 442 N GLN A 65 22.797 10.924 7.313 1.00 9.28 N ATOM 443 CA GLN A 65 23.504 9.954 8.091 1.00 9.73 C ATOM 444 C GLN A 65 22.727 8.636 8.147 1.00 8.34 C ATOM 445 O GLN A 65 21.546 8.582 7.682 1.00 9.26 O ATOM 446 CB GLN A 65 23.755 10.466 9.479 1.00 9.83 C ATOM 447 CG GLN A 65 24.607 11.712 9.499 1.00 10.73 C ATOM 448 CD GLN A 65 24.639 12.288 10.874 1.00 13.38 C ATOM 449 OE1 GLN A 65 23.615 12.853 11.252 1.00 14.24 O ATOM 450 NE2 GLN A 65 25.811 12.314 11.531 1.00 16.23 N ATOM 451 HE22 GLN A 65 26.635 11.809 11.145 1.00 0.00 H ATOM 452 HE21 GLN A 65 25.894 12.839 12.425 1.00 0.00 H ATOM 453 H GLN A 65 21.790 11.084 7.518 1.00 0.00 H ATOM 454 N VAL A 66 23.368 7.585 8.539 1.00 7.07 N ATOM 455 CA VAL A 66 22.741 6.326 8.640 1.00 7.60 C ATOM 456 C VAL A 66 22.953 5.764 10.050 1.00 6.88 C ATOM 457 O VAL A 66 24.131 5.593 10.504 1.00 8.37 O ATOM 458 CB VAL A 66 23.254 5.317 7.593 1.00 8.30 C ATOM 459 CG1 VAL A 66 22.553 3.990 7.730 1.00 9.54 C ATOM 460 CG2 VAL A 66 23.065 5.803 6.195 1.00 8.59 C ATOM 461 H VAL A 66 24.374 7.670 8.787 1.00 0.00 H ATOM 462 N LEU A 67 21.861 5.369 10.715 1.00 7.14 N ATOM 463 CA LEU A 67 21.903 4.816 12.033 1.00 7.81 C ATOM 464 C LEU A 67 21.824 3.315 11.958 1.00 6.72 C ATOM 465 O LEU A 67 20.785 2.787 11.406 1.00 7.74 O ATOM 466 CB LEU A 67 20.760 5.368 12.842 1.00 9.20 C ATOM 467 CG LEU A 67 20.675 4.897 14.302 1.00 10.13 C ATOM 468 CD1 LEU A 67 21.870 5.448 15.117 1.00 11.74 C ATOM 469 CD2 LEU A 67 19.397 5.346 14.932 1.00 12.19 C ATOM 470 H LEU A 67 20.936 5.469 10.250 1.00 0.00 H ATOM 471 N LEU A 68 22.856 2.614 12.348 1.00 7.64 N ATOM 472 CA LEU A 68 22.888 1.134 12.362 1.00 6.66 C ATOM 473 C LEU A 68 22.813 0.676 13.817 1.00 8.09 C ATOM 474 O LEU A 68 23.194 1.392 14.752 1.00 8.93 O ATOM 475 CB LEU A 68 24.155 0.616 11.666 1.00 8.48 C ATOM 476 CG LEU A 68 24.333 0.941 10.229 1.00 8.30 C ATOM 477 CD1 LEU A 68 25.620 0.461 9.715 1.00 8.47 C ATOM 478 CD2 LEU A 68 23.201 0.407 9.410 1.00 10.18 C ATOM 479 H LEU A 68 23.704 3.125 12.667 1.00 0.00 H ATOM 480 N GLY A 69 22.431 -0.594 13.944 1.00 7.83 N ATOM 481 CA GLY A 69 22.452 -1.223 15.254 1.00 8.33 C ATOM 482 C GLY A 69 21.388 -0.796 16.207 1.00 9.73 C ATOM 483 O GLY A 69 21.473 -1.063 17.415 1.00 10.67 O ATOM 484 H GLY A 69 22.120 -1.132 13.110 1.00 0.00 H ATOM 485 N ALA A 70 20.323 -0.158 15.698 1.00 9.03 N ATOM 486 CA ALA A 70 19.340 0.496 16.537 1.00 8.26 C ATOM 487 C ALA A 70 18.029 -0.219 16.677 1.00 9.24 C ATOM 488 O ALA A 70 17.603 -0.951 15.804 1.00 9.31 O ATOM 489 CB ALA A 70 19.038 1.867 16.021 1.00 8.55 C ATOM 490 H ALA A 70 20.199 -0.132 14.666 1.00 0.00 H ATOM 491 N HIS A 71 17.423 0.014 17.835 1.00 9.58 N ATOM 492 CA HIS A 71 16.012 -0.380 17.983 1.00 9.09 C ATOM 493 C HIS A 71 15.288 0.932 18.281 1.00 8.25 C ATOM 494 O HIS A 71 14.372 1.355 17.544 1.00 10.07 O ATOM 495 CB HIS A 71 15.825 -1.390 19.075 1.00 8.85 C ATOM 496 CG HIS A 71 14.428 -1.823 19.125 1.00 10.97 C ATOM 497 ND1 HIS A 71 13.824 -2.415 18.022 1.00 10.08 N ATOM 498 CD2 HIS A 71 13.505 -1.703 20.094 1.00 12.71 C ATOM 499 CE1 HIS A 71 12.548 -2.674 18.338 1.00 12.56 C ATOM 500 NE2 HIS A 71 12.336 -2.244 19.588 1.00 12.56 N ATOM 501 H HIS A 71 17.934 0.465 18.621 1.00 0.00 H ATOM 502 N SER A 72 15.607 1.576 19.391 1.00 10.05 N ATOM 503 CA SER A 72 15.078 2.883 19.750 1.00 9.08 C ATOM 504 C SER A 72 15.831 3.962 19.002 1.00 8.82 C ATOM 505 O SER A 72 17.075 4.026 18.991 1.00 10.42 O ATOM 506 CB SER A 72 15.281 3.126 21.265 1.00 10.54 C ATOM 507 OG SER A 72 14.996 4.467 21.615 1.00 9.81 O ATOM 508 HG SER A 72 14.055 4.674 21.386 1.00 0.00 H ATOM 509 H SER A 72 16.275 1.122 20.046 1.00 0.00 H ATOM 510 N LEU A 73 15.094 4.929 18.448 1.00 8.58 N ATOM 511 CA LEU A 73 15.747 6.091 17.811 1.00 11.90 C ATOM 512 C LEU A 73 16.380 7.007 18.889 1.00 10.16 C ATOM 513 O LEU A 73 17.307 7.803 18.509 1.00 14.23 O ATOM 514 CB LEU A 73 14.797 6.893 16.962 1.00 10.16 C ATOM 515 CG LEU A 73 14.210 6.135 15.723 1.00 11.16 C ATOM 516 CD1 LEU A 73 13.081 6.944 15.135 1.00 10.25 C ATOM 517 CD2 LEU A 73 15.236 5.756 14.674 1.00 10.82 C ATOM 518 H LEU A 73 14.056 4.863 18.465 1.00 0.00 H ATOM 519 N SER A 74 15.851 7.067 20.072 1.00 11.94 N ATOM 520 CA SER A 74 16.260 8.094 21.055 1.00 13.13 C ATOM 521 C SER A 74 17.165 7.621 22.121 1.00 13.06 C ATOM 522 O SER A 74 17.905 8.445 22.596 1.00 15.57 O ATOM 523 CB SER A 74 15.035 8.809 21.614 1.00 13.97 C ATOM 524 OG SER A 74 14.245 7.879 22.363 1.00 14.08 O ATOM 525 HG SER A 74 13.957 7.140 21.770 1.00 0.00 H ATOM 526 H SER A 74 15.121 6.375 20.336 1.00 0.00 H ATOM 527 N GLN A 75 17.113 6.379 22.485 1.00 11.65 N ATOM 528 CA GLN A 75 17.868 5.875 23.630 1.00 13.09 C ATOM 529 C GLN A 75 19.168 5.266 23.247 1.00 14.55 C ATOM 530 O GLN A 75 19.335 4.676 22.173 1.00 14.58 O ATOM 531 CB GLN A 75 17.030 4.729 24.312 1.00 13.52 C ATOM 532 CG GLN A 75 15.725 5.220 24.910 1.00 14.54 C ATOM 533 CD GLN A 75 15.006 4.221 25.827 1.00 15.41 C ATOM 534 OE1 GLN A 75 14.124 4.583 26.656 1.00 15.03 O ATOM 535 NE2 GLN A 75 15.297 2.896 25.608 1.00 14.50 N ATOM 536 HE22 GLN A 75 16.029 2.631 24.918 1.00 0.00 H ATOM 537 HE21 GLN A 75 14.785 2.158 26.132 1.00 0.00 H ATOM 538 H GLN A 75 16.516 5.720 21.946 1.00 0.00 H ATOM 539 N PRO A 76 20.148 5.354 24.108 1.00 15.31 N ATOM 540 CA PRO A 76 21.418 4.759 23.783 1.00 16.84 C ATOM 541 C PRO A 76 21.341 3.260 23.888 1.00 13.72 C ATOM 542 O PRO A 76 20.692 2.663 24.834 1.00 14.51 O ATOM 543 CB PRO A 76 22.316 5.334 24.829 1.00 22.93 C ATOM 544 CG PRO A 76 21.476 5.594 25.984 1.00 21.19 C ATOM 545 CD PRO A 76 20.125 6.005 25.455 1.00 18.80 C ATOM 546 N GLU A 77 22.077 2.582 23.039 1.00 11.95 N ATOM 547 CA GLU A 77 22.152 1.160 22.970 1.00 12.19 C ATOM 548 C GLU A 77 23.582 0.818 22.554 1.00 13.61 C ATOM 549 O GLU A 77 24.154 1.494 21.704 1.00 13.33 O ATOM 550 CB GLU A 77 21.119 0.576 21.920 1.00 13.23 C ATOM 551 CG GLU A 77 19.698 0.948 22.193 1.00 11.98 C ATOM 552 CD GLU A 77 18.756 0.762 21.044 1.00 11.79 C ATOM 553 OE1 GLU A 77 19.200 0.660 19.905 1.00 13.13 O ATOM 554 OE2 GLU A 77 17.511 0.662 21.336 1.00 11.54 O ATOM 555 H GLU A 77 22.651 3.125 22.363 1.00 0.00 H ATOM 556 N PRO A 78 24.138 -0.262 23.066 1.00 16.17 N ATOM 557 CA PRO A 78 25.602 -0.544 22.854 1.00 15.07 C ATOM 558 C PRO A 78 25.939 -0.705 21.378 1.00 16.60 C ATOM 559 O PRO A 78 27.018 -0.311 20.976 1.00 17.87 O ATOM 560 CB PRO A 78 25.825 -1.815 23.719 1.00 20.49 C ATOM 561 CG PRO A 78 24.565 -2.333 24.148 1.00 21.45 C ATOM 562 CD PRO A 78 23.559 -1.229 24.036 1.00 17.89 C ATOM 563 N SER A 79 25.040 -1.293 20.592 1.00 13.64 N ATOM 564 CA SER A 79 25.246 -1.525 19.207 1.00 15.18 C ATOM 565 C SER A 79 24.881 -0.344 18.256 1.00 14.61 C ATOM 566 O SER A 79 25.215 -0.399 17.086 1.00 11.83 O ATOM 567 CB SER A 79 24.420 -2.733 18.848 1.00 14.20 C ATOM 568 OG SER A 79 23.043 -2.532 19.005 1.00 15.53 O ATOM 569 HG SER A 79 22.751 -1.787 18.422 1.00 0.00 H ATOM 570 H SER A 79 24.140 -1.598 21.015 1.00 0.00 H ATOM 571 N LYS A 80 24.263 0.697 18.800 1.00 10.36 N ATOM 572 CA LYS A 80 23.763 1.800 17.972 1.00 10.70 C ATOM 573 C LYS A 80 24.910 2.707 17.604 1.00 13.59 C ATOM 574 O LYS A 80 25.674 3.181 18.505 1.00 16.60 O ATOM 575 CB LYS A 80 22.636 2.445 18.737 1.00 18.10 C ATOM 576 CG LYS A 80 21.697 3.304 18.188 1.00 19.50 C ATOM 577 CD LYS A 80 20.562 3.679 19.107 1.00 16.19 C ATOM 578 CE LYS A 80 20.379 5.117 18.895 1.00 15.26 C ATOM 579 NZ LYS A 80 19.283 5.615 19.720 1.00 14.27 N ATOM 580 HZ1 LYS A 80 18.405 5.119 19.464 1.00 0.00 H ATOM 581 HZ2 LYS A 80 19.500 5.444 20.723 1.00 0.00 H ATOM 582 HZ3 LYS A 80 19.165 6.636 19.559 1.00 0.00 H ATOM 583 H LYS A 80 24.131 0.731 19.831 1.00 0.00 H ATOM 584 N ARG A 81 25.070 2.966 16.306 1.00 12.09 N ATOM 585 CA ARG A 81 26.158 3.875 15.852 1.00 13.66 C ATOM 586 C ARG A 81 25.617 4.642 14.666 1.00 12.61 C ATOM 587 O ARG A 81 24.978 4.063 13.751 1.00 11.66 O ATOM 588 CB ARG A 81 27.403 3.158 15.489 1.00 17.03 C ATOM 589 CG ARG A 81 28.503 4.105 15.121 1.00 19.56 C ATOM 590 CD ARG A 81 29.814 3.460 14.981 1.00 30.40 C ATOM 591 NE ARG A 81 30.636 4.410 14.182 1.00 31.00 N ATOM 592 CZ ARG A 81 31.829 4.135 13.744 1.00 34.08 C ATOM 593 NH1 ARG A 81 32.305 2.970 13.970 1.00 34.29 N ATOM 594 NH2 ARG A 81 32.489 5.033 13.064 1.00 47.02 N ATOM 595 HE ARG A 81 30.234 5.344 13.962 1.00 0.00 H ATOM 596 HH12 ARG A 81 33.257 2.722 13.631 1.00 0.00 H ATOM 597 HH11 ARG A 81 31.741 2.270 14.492 1.00 0.00 H ATOM 598 HH22 ARG A 81 33.444 4.820 12.711 1.00 0.00 H ATOM 599 HH21 ARG A 81 32.060 5.962 12.876 1.00 0.00 H ATOM 600 H ARG A 81 24.433 2.532 15.608 1.00 0.00 H ATOM 601 N LEU A 82 25.800 5.943 14.711 1.00 12.34 N ATOM 602 CA LEU A 82 25.429 6.850 13.619 1.00 11.65 C ATOM 603 C LEU A 82 26.606 7.034 12.729 1.00 12.52 C ATOM 604 O LEU A 82 27.666 7.521 13.159 1.00 17.50 O ATOM 605 CB LEU A 82 24.957 8.160 14.244 1.00 14.90 C ATOM 606 CG LEU A 82 24.328 9.187 13.308 1.00 14.83 C ATOM 607 CD1 LEU A 82 23.012 8.700 12.703 1.00 14.64 C ATOM 608 CD2 LEU A 82 24.046 10.490 14.122 1.00 18.42 C ATOM 609 H LEU A 82 26.230 6.351 15.565 1.00 0.00 H ATOM 610 N TYR A 83 26.494 6.710 11.434 1.00 9.30 N ATOM 611 CA TYR A 83 27.470 6.866 10.403 1.00 9.75 C ATOM 612 C TYR A 83 27.220 8.063 9.523 1.00 9.79 C ATOM 613 O TYR A 83 26.087 8.299 9.117 1.00 10.42 O ATOM 614 CB TYR A 83 27.585 5.567 9.601 1.00 8.50 C ATOM 615 CG TYR A 83 28.120 4.446 10.352 1.00 9.62 C ATOM 616 CD1 TYR A 83 27.329 3.666 11.172 1.00 10.72 C ATOM 617 CD2 TYR A 83 29.459 4.119 10.267 1.00 11.18 C ATOM 618 CE1 TYR A 83 27.850 2.567 11.843 1.00 9.62 C ATOM 619 CE2 TYR A 83 29.976 3.045 10.982 1.00 11.34 C ATOM 620 CZ TYR A 83 29.182 2.246 11.802 1.00 10.99 C ATOM 621 OH TYR A 83 29.678 1.223 12.514 1.00 13.22 O ATOM 622 HH TYR A 83 28.947 0.792 13.024 1.00 0.00 H ATOM 623 H TYR A 83 25.586 6.294 11.144 1.00 0.00 H ATOM 624 N ASP A 84 28.298 8.715 9.150 1.00 10.79 N ATOM 625 CA ASP A 84 28.278 9.727 8.166 1.00 10.12 C ATOM 626 C ASP A 84 28.315 9.047 6.748 1.00 10.45 C ATOM 627 O ASP A 84 28.714 7.869 6.634 1.00 11.37 O ATOM 628 CB ASP A 84 29.494 10.722 8.351 1.00 12.47 C ATOM 629 CG ASP A 84 29.552 11.370 9.664 1.00 15.48 C ATOM 630 OD1 ASP A 84 28.587 11.898 10.125 1.00 17.72 O ATOM 631 OD2 ASP A 84 30.655 11.226 10.273 1.00 22.51 O ATOM 632 H ASP A 84 29.205 8.475 9.599 1.00 0.00 H ATOM 633 N VAL A 85 28.037 9.849 5.750 1.00 10.60 N ATOM 634 CA VAL A 85 27.902 9.346 4.400 1.00 9.58 C ATOM 635 C VAL A 85 28.906 9.991 3.466 1.00 9.63 C ATOM 636 O VAL A 85 28.931 11.142 3.313 1.00 12.40 O ATOM 637 CB VAL A 85 26.494 9.509 3.890 1.00 9.55 C ATOM 638 CG1 VAL A 85 26.340 9.162 2.393 1.00 10.29 C ATOM 639 CG2 VAL A 85 25.502 8.637 4.763 1.00 11.38 C ATOM 640 H VAL A 85 27.911 10.865 5.931 1.00 0.00 H ATOM 641 N LEU A 86 29.788 9.139 2.922 1.00 9.89 N ATOM 642 CA LEU A 86 30.782 9.656 1.974 1.00 11.16 C ATOM 643 C LEU A 86 30.177 9.986 0.681 1.00 12.29 C ATOM 644 O LEU A 86 30.524 11.020 0.090 1.00 11.72 O ATOM 645 CB LEU A 86 31.797 8.545 1.729 1.00 14.08 C ATOM 646 CG LEU A 86 32.973 8.696 0.878 1.00 14.90 C ATOM 647 CD1 LEU A 86 33.835 9.903 1.153 1.00 17.03 C ATOM 648 CD2 LEU A 86 33.801 7.433 0.747 1.00 18.00 C ATOM 649 H LEU A 86 29.768 8.129 3.168 1.00 0.00 H ATOM 650 N ARG A 87 29.222 9.193 0.189 1.00 13.23 N ATOM 651 CA ARG A 87 28.619 9.449 -1.113 1.00 13.67 C ATOM 652 C ARG A 87 27.185 8.872 -1.127 1.00 11.08 C ATOM 653 O ARG A 87 26.973 7.747 -0.621 1.00 10.99 O ATOM 654 CB ARG A 87 29.290 8.509 -2.224 1.00 18.14 C ATOM 655 CG ARG A 87 30.595 8.781 -2.703 1.00 24.26 C ATOM 656 CD ARG A 87 30.557 8.091 -4.023 1.00 25.08 C ATOM 657 NE ARG A 87 31.005 6.770 -3.895 1.00 26.14 N ATOM 658 CZ ARG A 87 31.055 5.859 -4.908 1.00 22.12 C ATOM 659 NH1 ARG A 87 30.348 6.090 -6.091 1.00 24.53 N ATOM 660 NH2 ARG A 87 31.737 4.681 -4.673 1.00 23.46 N ATOM 661 HE ARG A 87 31.324 6.460 -2.955 1.00 0.00 H ATOM 662 HH12 ARG A 87 30.386 5.395 -6.864 1.00 0.00 H ATOM 663 HH11 ARG A 87 29.784 6.957 -6.199 1.00 0.00 H ATOM 664 HH22 ARG A 87 31.800 3.959 -5.419 1.00 0.00 H ATOM 665 HH21 ARG A 87 32.188 4.516 -3.750 1.00 0.00 H ATOM 666 H ARG A 87 28.902 8.376 0.747 1.00 0.00 H ATOM 667 N ALA A 88 26.289 9.572 -1.778 1.00 10.63 N ATOM 668 CA ALA A 88 24.927 9.130 -2.051 1.00 9.59 C ATOM 669 C ALA A 88 24.769 8.913 -3.553 1.00 10.47 C ATOM 670 O ALA A 88 25.126 9.811 -4.357 1.00 13.14 O ATOM 671 CB ALA A 88 23.890 10.094 -1.641 1.00 10.79 C ATOM 672 H ALA A 88 26.570 10.511 -2.125 1.00 0.00 H ATOM 673 N VAL A 89 24.337 7.678 -3.950 1.00 8.38 N ATOM 674 CA VAL A 89 24.303 7.261 -5.381 1.00 8.51 C ATOM 675 C VAL A 89 22.865 6.876 -5.707 1.00 8.38 C ATOM 676 O VAL A 89 22.512 5.678 -5.582 1.00 9.17 O ATOM 677 CB VAL A 89 25.295 6.130 -5.652 1.00 10.27 C ATOM 678 CG1 VAL A 89 25.367 5.891 -7.169 1.00 11.00 C ATOM 679 CG2 VAL A 89 26.711 6.481 -5.091 1.00 12.51 C ATOM 680 H VAL A 89 24.020 7.003 -3.225 1.00 0.00 H ATOM 681 N PRO A 90 22.046 7.833 -6.124 1.00 8.80 N ATOM 682 CA PRO A 90 20.717 7.483 -6.633 1.00 9.12 C ATOM 683 C PRO A 90 20.858 6.698 -7.956 1.00 8.86 C ATOM 684 O PRO A 90 21.724 6.974 -8.736 1.00 10.25 O ATOM 685 CB PRO A 90 19.952 8.751 -6.803 1.00 11.50 C ATOM 686 CG PRO A 90 21.015 9.824 -6.780 1.00 14.40 C ATOM 687 CD PRO A 90 22.294 9.270 -6.182 1.00 10.71 C ATOM 688 N HIS A 91 19.891 5.835 -8.243 1.00 8.27 N ATOM 689 CA HIS A 91 19.945 5.180 -9.550 1.00 8.50 C ATOM 690 C HIS A 91 19.829 6.204 -10.627 1.00 9.22 C ATOM 691 O HIS A 91 18.989 7.115 -10.558 1.00 10.01 O ATOM 692 CB HIS A 91 18.747 4.186 -9.648 1.00 8.19 C ATOM 693 CG HIS A 91 18.806 3.329 -10.819 1.00 8.24 C ATOM 694 ND1 HIS A 91 18.572 3.780 -12.117 1.00 9.81 N ATOM 695 CD2 HIS A 91 19.169 2.027 -10.889 1.00 9.43 C ATOM 696 CE1 HIS A 91 18.797 2.728 -12.898 1.00 10.06 C ATOM 697 NE2 HIS A 91 19.154 1.649 -12.201 1.00 10.35 N ATOM 698 H HIS A 91 19.127 5.633 -7.567 1.00 0.00 H ATOM 699 N PRO A 92 20.652 6.071 -11.703 1.00 9.13 N ATOM 700 CA PRO A 92 20.633 7.199 -12.688 1.00 11.76 C ATOM 701 C PRO A 92 19.304 7.378 -13.464 1.00 11.37 C ATOM 702 O PRO A 92 19.117 8.492 -14.020 1.00 15.14 O ATOM 703 CB PRO A 92 21.682 6.742 -13.679 1.00 14.77 C ATOM 704 CG PRO A 92 22.459 5.708 -13.131 1.00 14.26 C ATOM 705 CD PRO A 92 21.740 5.125 -11.927 1.00 10.67 C ATOM 706 N ASP A 93 18.471 6.352 -13.481 1.00 10.22 N ATOM 707 CA ASP A 93 17.224 6.477 -14.212 1.00 11.61 C ATOM 708 C ASP A 93 16.076 6.821 -13.271 1.00 11.51 C ATOM 709 O ASP A 93 14.875 6.899 -13.725 1.00 12.82 O ATOM 710 CB ASP A 93 16.890 5.147 -14.972 1.00 13.05 C ATOM 711 CG ASP A 93 17.888 4.783 -16.060 1.00 13.63 C ATOM 712 OD1 ASP A 93 17.975 5.544 -17.015 1.00 12.88 O ATOM 713 OD2 ASP A 93 18.557 3.668 -15.987 1.00 17.05 O ATOM 714 H ASP A 93 18.705 5.471 -12.980 1.00 0.00 H ATOM 715 N SER A 94 16.342 7.014 -11.952 1.00 10.65 N ATOM 716 CA SER A 94 15.273 7.482 -11.050 1.00 12.31 C ATOM 717 C SER A 94 14.858 8.935 -11.355 1.00 14.46 C ATOM 718 O SER A 94 15.637 9.707 -11.808 1.00 16.29 O ATOM 719 CB SER A 94 15.665 7.397 -9.593 1.00 12.42 C ATOM 720 OG SER A 94 16.849 8.143 -9.272 1.00 13.42 O ATOM 721 HG SER A 94 17.609 7.798 -9.804 1.00 0.00 H ATOM 722 H SER A 94 17.296 6.832 -11.580 1.00 0.00 H ATOM 723 N GLN A 95 13.596 9.236 -11.085 1.00 16.23 N ATOM 724 CA GLN A 95 13.056 10.612 -11.296 1.00 17.73 C ATOM 725 C GLN A 95 11.940 10.858 -10.299 1.00 17.73 C ATOM 726 O GLN A 95 11.171 9.950 -10.020 1.00 14.82 O ATOM 727 CB GLN A 95 12.372 10.698 -12.670 1.00 20.45 C ATOM 728 CG GLN A 95 13.306 10.540 -13.867 1.00 26.77 C ATOM 729 CD GLN A 95 12.543 10.647 -15.138 1.00 34.32 C ATOM 730 OE1 GLN A 95 12.419 11.749 -15.651 1.00 39.61 O ATOM 731 NE2 GLN A 95 11.949 9.552 -15.611 1.00 25.17 N ATOM 732 HE22 GLN A 95 12.089 8.638 -15.135 1.00 0.00 H ATOM 733 HE21 GLN A 95 11.346 9.611 -16.456 1.00 0.00 H ATOM 734 H GLN A 95 12.966 8.495 -10.717 1.00 0.00 H ATOM 735 N PRO A 96 11.785 12.095 -9.839 1.00 16.73 N ATOM 736 CA PRO A 96 10.686 12.464 -8.979 1.00 17.09 C ATOM 737 C PRO A 96 9.375 12.116 -9.657 1.00 17.75 C ATOM 738 O PRO A 96 9.235 12.226 -10.945 1.00 22.60 O ATOM 739 CB PRO A 96 10.831 13.953 -8.876 1.00 21.12 C ATOM 740 CG PRO A 96 12.304 14.217 -8.932 1.00 23.12 C ATOM 741 CD PRO A 96 12.793 13.199 -9.959 1.00 18.47 C ATOM 742 N ASP A 97 8.371 11.737 -8.984 1.00 23.57 N ATOM 743 CA ASP A 97 7.170 11.563 -10.022 1.00 33.43 C ATOM 744 C ASP A 97 7.171 10.447 -11.087 1.00 22.78 C ATOM 745 O ASP A 97 6.230 10.273 -11.798 1.00 23.14 O ATOM 746 CB ASP A 97 6.819 12.821 -10.871 1.00 31.75 C ATOM 747 CG ASP A 97 6.451 13.982 -9.984 1.00 34.47 C ATOM 748 OD1 ASP A 97 5.840 13.754 -8.884 1.00 48.78 O ATOM 749 OD2 ASP A 97 6.823 15.083 -10.356 1.00 56.43 O ATOM 750 H ASP A 97 8.336 11.572 -7.958 1.00 0.00 H ATOM 751 N THR A 98 8.206 9.577 -11.070 1.00 17.37 N ATOM 752 CA THR A 98 7.995 8.246 -11.599 1.00 15.96 C ATOM 753 C THR A 98 8.169 7.249 -10.459 1.00 16.46 C ATOM 754 O THR A 98 8.779 7.534 -9.415 1.00 18.58 O ATOM 755 CB THR A 98 8.894 7.853 -12.741 1.00 18.39 C ATOM 756 OG1 THR A 98 10.184 7.670 -12.180 1.00 20.29 O ATOM 757 CG2 THR A 98 8.901 8.954 -13.807 1.00 20.38 C ATOM 758 HG1 THR A 98 10.819 7.409 -12.893 1.00 0.00 H ATOM 759 H THR A 98 9.131 9.857 -10.686 1.00 0.00 H ATOM 760 N ILE A 99 7.659 6.037 -10.673 1.00 15.91 N ATOM 761 CA ILE A 99 7.838 4.933 -9.677 1.00 13.83 C ATOM 762 C ILE A 99 9.039 4.004 -9.892 1.00 13.72 C ATOM 763 O ILE A 99 9.278 3.015 -9.121 1.00 15.16 O ATOM 764 CB ILE A 99 6.530 4.135 -9.463 1.00 16.53 C ATOM 765 CG1 ILE A 99 6.174 3.221 -10.608 1.00 15.83 C ATOM 766 CG2 ILE A 99 5.333 5.103 -9.142 1.00 17.96 C ATOM 767 CD1 ILE A 99 5.065 2.237 -10.315 1.00 18.57 C ATOM 768 H ILE A 99 7.127 5.854 -11.548 1.00 0.00 H ATOM 769 N ASP A 100 9.668 4.165 -11.033 1.00 12.08 N ATOM 770 CA ASP A 100 10.618 3.221 -11.514 1.00 9.86 C ATOM 771 C ASP A 100 12.036 3.492 -11.024 1.00 9.85 C ATOM 772 O ASP A 100 12.388 4.668 -10.850 1.00 10.64 O ATOM 773 CB ASP A 100 10.580 3.220 -13.065 1.00 11.42 C ATOM 774 CG ASP A 100 9.178 3.049 -13.603 1.00 11.41 C ATOM 775 OD1 ASP A 100 8.580 1.938 -13.359 1.00 13.91 O ATOM 776 OD2 ASP A 100 8.715 3.989 -14.223 1.00 18.63 O ATOM 777 H ASP A 100 9.465 5.010 -11.604 1.00 0.00 H ATOM 778 N HIS A 101 12.790 2.455 -10.909 1.00 9.38 N ATOM 779 CA HIS A 101 14.219 2.622 -10.549 1.00 10.14 C ATOM 780 C HIS A 101 14.489 3.332 -9.207 1.00 10.08 C ATOM 781 O HIS A 101 15.483 4.042 -9.113 1.00 10.68 O ATOM 782 CB HIS A 101 14.980 3.304 -11.681 1.00 12.05 C ATOM 783 CG HIS A 101 14.522 2.916 -13.074 1.00 12.82 C ATOM 784 ND1 HIS A 101 14.346 1.574 -13.422 1.00 13.41 N ATOM 785 CD2 HIS A 101 13.931 3.634 -14.018 1.00 13.68 C ATOM 786 CE1 HIS A 101 13.764 1.540 -14.632 1.00 15.95 C ATOM 787 NE2 HIS A 101 13.629 2.789 -15.046 1.00 14.69 N ATOM 788 H HIS A 101 12.399 1.505 -11.068 1.00 0.00 H ATOM 789 N ASP A 102 13.629 3.112 -8.239 1.00 9.48 N ATOM 790 CA ASP A 102 13.678 3.891 -7.038 1.00 8.65 C ATOM 791 C ASP A 102 14.637 3.324 -6.021 1.00 9.42 C ATOM 792 O ASP A 102 14.257 3.008 -4.889 1.00 9.01 O ATOM 793 CB ASP A 102 12.288 4.080 -6.440 1.00 8.91 C ATOM 794 CG ASP A 102 12.207 4.996 -5.278 1.00 11.06 C ATOM 795 OD1 ASP A 102 13.014 5.946 -5.229 1.00 9.98 O ATOM 796 OD2 ASP A 102 11.410 4.803 -4.321 1.00 12.55 O ATOM 797 H ASP A 102 12.909 2.369 -8.345 1.00 0.00 H ATOM 798 N LEU A 103 15.911 3.312 -6.336 1.00 8.45 N ATOM 799 CA LEU A 103 16.994 2.772 -5.455 1.00 8.17 C ATOM 800 C LEU A 103 18.068 3.840 -5.246 1.00 8.11 C ATOM 801 O LEU A 103 18.310 4.685 -6.125 1.00 8.47 O ATOM 802 CB LEU A 103 17.620 1.527 -6.096 1.00 9.15 C ATOM 803 CG LEU A 103 16.730 0.308 -6.281 1.00 9.55 C ATOM 804 CD1 LEU A 103 17.432 -0.923 -6.839 1.00 12.14 C ATOM 805 CD2 LEU A 103 16.078 -0.083 -4.956 1.00 8.68 C ATOM 806 H LEU A 103 16.186 3.704 -7.259 1.00 0.00 H ATOM 807 N LEU A 104 18.680 3.734 -4.104 1.00 7.41 N ATOM 808 CA LEU A 104 19.710 4.676 -3.693 1.00 7.73 C ATOM 809 C LEU A 104 20.721 3.865 -2.892 1.00 8.42 C ATOM 810 O LEU A 104 20.350 3.107 -1.990 1.00 7.38 O ATOM 811 CB LEU A 104 19.035 5.686 -2.743 1.00 9.85 C ATOM 812 CG LEU A 104 19.938 6.593 -1.860 1.00 10.94 C ATOM 813 CD1 LEU A 104 20.623 7.413 -2.872 1.00 11.95 C ATOM 814 CD2 LEU A 104 19.129 7.363 -0.833 1.00 12.52 C ATOM 815 H LEU A 104 18.426 2.953 -3.466 1.00 0.00 H ATOM 816 N LEU A 105 22.030 4.027 -3.187 1.00 6.39 N ATOM 817 CA LEU A 105 23.061 3.397 -2.437 1.00 6.33 C ATOM 818 C LEU A 105 23.826 4.495 -1.737 1.00 6.77 C ATOM 819 O LEU A 105 24.255 5.504 -2.303 1.00 8.37 O ATOM 820 CB LEU A 105 23.945 2.548 -3.370 1.00 6.82 C ATOM 821 CG LEU A 105 23.443 1.182 -3.617 1.00 8.04 C ATOM 822 CD1 LEU A 105 24.069 0.556 -4.847 1.00 9.07 C ATOM 823 CD2 LEU A 105 23.605 0.331 -2.356 1.00 7.57 C ATOM 824 H LEU A 105 22.292 4.633 -3.990 1.00 0.00 H ATOM 825 N LEU A 106 23.984 4.296 -0.407 1.00 7.18 N ATOM 826 CA LEU A 106 24.747 5.194 0.520 1.00 6.74 C ATOM 827 C LEU A 106 26.037 4.520 0.910 1.00 6.98 C ATOM 828 O LEU A 106 25.995 3.462 1.532 1.00 8.18 O ATOM 829 CB LEU A 106 23.904 5.523 1.762 1.00 7.58 C ATOM 830 CG LEU A 106 22.561 6.147 1.410 1.00 9.41 C ATOM 831 CD1 LEU A 106 21.686 6.136 2.669 1.00 11.67 C ATOM 832 CD2 LEU A 106 22.666 7.533 0.781 1.00 12.67 C ATOM 833 H LEU A 106 23.540 3.451 0.005 1.00 0.00 H ATOM 834 N GLN A 107 27.185 5.176 0.600 1.00 8.09 N ATOM 835 CA GLN A 107 28.472 4.676 1.035 1.00 8.24 C ATOM 836 C GLN A 107 28.786 5.358 2.342 1.00 9.51 C ATOM 837 O GLN A 107 28.924 6.591 2.393 1.00 8.19 O ATOM 838 CB GLN A 107 29.536 4.951 0.001 1.00 9.13 C ATOM 839 CG GLN A 107 30.848 4.314 0.300 1.00 11.34 C ATOM 840 CD GLN A 107 31.937 4.668 -0.786 1.00 10.74 C ATOM 841 OE1 GLN A 107 31.832 5.621 -1.466 1.00 18.00 O ATOM 842 NE2 GLN A 107 32.958 3.909 -0.779 1.00 19.18 N ATOM 843 HE22 GLN A 107 32.986 3.080 -0.151 1.00 0.00 H ATOM 844 HE21 GLN A 107 33.765 4.117 -1.401 1.00 0.00 H ATOM 845 H GLN A 107 27.139 6.052 0.041 1.00 0.00 H ATOM 846 N LEU A 108 28.913 4.521 3.381 1.00 7.72 N ATOM 847 CA LEU A 108 29.273 5.060 4.731 1.00 8.76 C ATOM 848 C LEU A 108 30.732 5.643 4.688 1.00 10.00 C ATOM 849 O LEU A 108 31.519 5.209 3.843 1.00 10.04 O ATOM 850 CB LEU A 108 29.171 3.975 5.726 1.00 9.68 C ATOM 851 CG LEU A 108 27.814 3.225 5.720 1.00 8.37 C ATOM 852 CD1 LEU A 108 27.883 2.175 6.829 1.00 11.30 C ATOM 853 CD2 LEU A 108 26.635 4.170 5.921 1.00 9.11 C ATOM 854 H LEU A 108 28.762 3.500 3.250 1.00 0.00 H ATOM 855 N SER A 109 31.027 6.535 5.622 1.00 9.80 N ATOM 856 CA SER A 109 32.347 7.094 5.656 1.00 10.89 C ATOM 857 C SER A 109 33.448 6.111 6.112 1.00 11.28 C ATOM 858 O SER A 109 34.624 6.299 5.752 1.00 12.77 O ATOM 859 CB SER A 109 32.375 8.349 6.463 1.00 16.31 C ATOM 860 OG SER A 109 32.294 7.924 7.772 1.00 21.10 O ATOM 861 HG SER A 109 32.307 8.710 8.374 1.00 0.00 H ATOM 862 H SER A 109 30.312 6.825 6.320 1.00 0.00 H ATOM 863 N GLU A 110 33.066 5.023 6.736 1.00 10.30 N ATOM 864 CA GLU A 110 33.922 3.905 6.958 1.00 12.44 C ATOM 865 C GLU A 110 33.118 2.646 7.064 1.00 11.47 C ATOM 866 O GLU A 110 31.874 2.722 7.120 1.00 11.08 O ATOM 867 CB GLU A 110 34.713 4.067 8.285 1.00 16.20 C ATOM 868 CG GLU A 110 33.859 4.330 9.468 1.00 20.37 C ATOM 869 CD GLU A 110 34.726 4.638 10.722 1.00 25.21 C ATOM 870 OE1 GLU A 110 35.553 3.896 11.097 1.00 39.23 O ATOM 871 OE2 GLU A 110 34.666 5.664 11.198 1.00 32.53 O ATOM 872 H GLU A 110 32.088 4.973 7.087 1.00 0.00 H ATOM 873 N LYS A 111 33.771 1.527 6.983 1.00 11.97 N ATOM 874 CA LYS A 111 33.124 0.256 7.140 1.00 12.02 C ATOM 875 C LYS A 111 32.387 0.237 8.434 1.00 11.14 C ATOM 876 O LYS A 111 32.897 0.613 9.466 1.00 13.80 O ATOM 877 CB LYS A 111 34.201 -0.920 7.168 1.00 17.97 C ATOM 878 CG LYS A 111 34.816 -1.059 5.812 1.00 23.33 C ATOM 879 CD LYS A 111 35.857 -2.155 5.827 1.00 30.23 C ATOM 880 CE LYS A 111 36.678 -2.084 4.523 1.00 48.22 C ATOM 881 NZ LYS A 111 37.981 -2.856 4.643 1.00 57.22 N ATOM 882 HZ1 LYS A 111 38.551 -2.454 5.414 1.00 0.00 H ATOM 883 HZ2 LYS A 111 37.773 -3.854 4.848 1.00 0.00 H ATOM 884 HZ3 LYS A 111 38.507 -2.787 3.749 1.00 0.00 H ATOM 885 H LYS A 111 34.794 1.553 6.799 1.00 0.00 H ATOM 886 N ALA A 112 31.185 -0.381 8.424 1.00 10.03 N ATOM 887 CA ALA A 112 30.439 -0.561 9.634 1.00 12.68 C ATOM 888 C ALA A 112 31.121 -1.554 10.527 1.00 10.31 C ATOM 889 O ALA A 112 31.569 -2.640 10.048 1.00 12.94 O ATOM 890 CB ALA A 112 29.022 -0.970 9.383 1.00 10.75 C ATOM 891 H ALA A 112 30.796 -0.731 7.525 1.00 0.00 H ATOM 892 N THR A 113 31.045 -1.297 11.811 1.00 11.92 N ATOM 893 CA THR A 113 31.524 -2.299 12.796 1.00 13.48 C ATOM 894 C THR A 113 30.452 -3.392 12.927 1.00 12.29 C ATOM 895 O THR A 113 29.282 -3.061 13.233 1.00 12.63 O ATOM 896 CB THR A 113 31.676 -1.623 14.136 1.00 14.79 C ATOM 897 OG1 THR A 113 32.587 -0.520 14.005 1.00 19.35 O ATOM 898 CG2 THR A 113 32.153 -2.610 15.137 1.00 17.74 C ATOM 899 HG1 THR A 113 32.690 -0.073 14.882 1.00 0.00 H ATOM 900 H THR A 113 30.650 -0.393 12.139 1.00 0.00 H ATOM 901 N LEU A 114 30.793 -4.617 12.521 1.00 12.30 N ATOM 902 CA LEU A 114 29.853 -5.694 12.583 1.00 13.57 C ATOM 903 C LEU A 114 29.805 -6.367 13.891 1.00 13.81 C ATOM 904 O LEU A 114 30.788 -6.452 14.654 1.00 17.19 O ATOM 905 CB LEU A 114 30.153 -6.637 11.450 1.00 16.00 C ATOM 906 CG LEU A 114 30.224 -6.038 10.048 1.00 18.43 C ATOM 907 CD1 LEU A 114 30.416 -7.047 8.885 1.00 19.64 C ATOM 908 CD2 LEU A 114 29.016 -5.162 9.793 1.00 16.95 C ATOM 909 H LEU A 114 31.751 -4.790 12.156 1.00 0.00 H ATOM 910 N GLY A 115 28.707 -7.074 14.105 1.00 15.29 N ATOM 911 CA GLY A 115 28.471 -7.815 15.331 1.00 14.30 C ATOM 912 C GLY A 115 27.101 -8.435 15.263 1.00 13.64 C ATOM 913 O GLY A 115 26.393 -8.362 14.274 1.00 14.56 O ATOM 914 H GLY A 115 27.980 -7.100 13.361 1.00 0.00 H ATOM 915 N PRO A 118 26.675 -9.016 16.366 1.00 15.37 N ATOM 916 CA PRO A 118 25.347 -9.644 16.382 1.00 13.68 C ATOM 917 C PRO A 118 24.145 -8.697 16.076 1.00 13.53 C ATOM 918 O PRO A 118 23.127 -9.159 15.584 1.00 16.09 O ATOM 919 CB PRO A 118 25.163 -10.087 17.888 1.00 17.17 C ATOM 920 CG PRO A 118 26.487 -10.232 18.319 1.00 19.48 C ATOM 921 CD PRO A 118 27.362 -9.216 17.615 1.00 14.90 C ATOM 922 N ALA A 119 24.311 -7.387 16.240 1.00 11.58 N ATOM 923 CA ALA A 119 23.285 -6.420 16.017 1.00 12.85 C ATOM 924 C ALA A 119 23.542 -5.590 14.772 1.00 10.46 C ATOM 925 O ALA A 119 22.664 -4.754 14.480 1.00 10.02 O ATOM 926 CB ALA A 119 23.128 -5.547 17.238 1.00 14.42 C ATOM 927 H ALA A 119 25.244 -7.047 16.549 1.00 0.00 H ATOM 928 N VAL A 120 24.605 -5.819 14.057 1.00 9.40 N ATOM 929 CA VAL A 120 24.918 -5.074 12.836 1.00 8.83 C ATOM 930 C VAL A 120 25.464 -6.118 11.870 1.00 9.67 C ATOM 931 O VAL A 120 26.632 -6.553 12.020 1.00 10.86 O ATOM 932 CB VAL A 120 25.836 -3.896 13.022 1.00 9.07 C ATOM 933 CG1 VAL A 120 26.041 -3.232 11.700 1.00 10.82 C ATOM 934 CG2 VAL A 120 25.326 -2.927 14.049 1.00 9.69 C ATOM 935 H VAL A 120 25.261 -6.564 14.367 1.00 0.00 H ATOM 936 N ARG A 121 24.717 -6.432 10.805 1.00 10.96 N ATOM 937 CA ARG A 121 25.188 -7.450 9.853 1.00 12.60 C ATOM 938 C ARG A 121 24.549 -7.208 8.487 1.00 9.67 C ATOM 939 O ARG A 121 23.275 -6.990 8.477 1.00 11.26 O ATOM 940 CB ARG A 121 24.791 -8.842 10.313 1.00 16.51 C ATOM 941 CG ARG A 121 25.245 -10.050 9.562 1.00 23.44 C ATOM 942 CD ARG A 121 26.709 -10.348 9.721 1.00 35.72 C ATOM 943 NE ARG A 121 27.264 -10.278 11.101 1.00 43.37 N ATOM 944 CZ ARG A 121 28.574 -10.261 11.385 1.00 43.54 C ATOM 945 NH1 ARG A 121 29.492 -10.261 10.390 1.00 28.80 N ATOM 946 NH2 ARG A 121 28.981 -10.217 12.673 1.00 36.67 N ATOM 947 HE ARG A 121 26.593 -10.240 11.895 1.00 0.00 H ATOM 948 HH12 ARG A 121 30.507 -10.248 10.618 1.00 0.00 H ATOM 949 HH11 ARG A 121 29.183 -10.274 9.397 1.00 0.00 H ATOM 950 HH22 ARG A 121 29.996 -10.204 12.897 1.00 0.00 H ATOM 951 HH21 ARG A 121 28.279 -10.196 13.440 1.00 0.00 H ATOM 952 H ARG A 121 23.805 -5.957 10.651 1.00 0.00 H ATOM 953 N PRO A 122 25.257 -7.282 7.410 1.00 8.98 N ATOM 954 CA PRO A 122 24.600 -7.123 6.112 1.00 9.74 C ATOM 955 C PRO A 122 23.629 -8.256 5.822 1.00 10.51 C ATOM 956 O PRO A 122 23.828 -9.367 6.265 1.00 11.91 O ATOM 957 CB PRO A 122 25.789 -7.085 5.061 1.00 11.44 C ATOM 958 CG PRO A 122 27.061 -6.696 5.898 1.00 14.42 C ATOM 959 CD PRO A 122 26.728 -7.374 7.287 1.00 11.95 C ATOM 960 N LEU A 123 22.549 -7.939 5.077 1.00 9.94 N ATOM 961 CA LEU A 123 21.617 -8.964 4.722 1.00 9.68 C ATOM 962 C LEU A 123 21.958 -9.444 3.333 1.00 9.01 C ATOM 963 O LEU A 123 22.046 -8.684 2.375 1.00 9.63 O ATOM 964 CB LEU A 123 20.219 -8.354 4.657 1.00 11.97 C ATOM 965 CG LEU A 123 19.034 -9.217 4.248 1.00 11.29 C ATOM 966 CD1 LEU A 123 18.943 -10.401 5.215 1.00 13.51 C ATOM 967 CD2 LEU A 123 17.767 -8.421 4.218 1.00 12.29 C ATOM 968 H LEU A 123 22.396 -6.959 4.764 1.00 0.00 H ATOM 969 N PRO A 124 22.107 -10.793 3.170 1.00 8.88 N ATOM 970 CA PRO A 124 22.197 -11.329 1.766 1.00 9.72 C ATOM 971 C PRO A 124 21.041 -10.913 0.914 1.00 9.07 C ATOM 972 O PRO A 124 19.918 -10.944 1.402 1.00 10.85 O ATOM 973 CB PRO A 124 22.258 -12.880 2.022 1.00 10.94 C ATOM 974 CG PRO A 124 22.917 -12.972 3.387 1.00 12.68 C ATOM 975 CD PRO A 124 22.136 -11.894 4.130 1.00 12.54 C ATOM 976 N TRP A 124A 21.260 -10.626 -0.351 1.00 9.11 N ATOM 977 CA TRP A 124A 20.215 -10.147 -1.227 1.00 8.93 C ATOM 978 C TRP A 124A 20.124 -10.960 -2.505 1.00 10.50 C ATOM 979 O TRP A 124A 21.036 -11.642 -2.866 1.00 11.29 O ATOM 980 CB TRP A 124A 20.460 -8.637 -1.478 1.00 10.61 C ATOM 981 CG TRP A 124A 21.750 -8.273 -2.122 1.00 9.47 C ATOM 982 CD1 TRP A 124A 22.954 -7.973 -1.515 1.00 11.37 C ATOM 983 CD2 TRP A 124A 21.974 -8.044 -3.513 1.00 9.40 C ATOM 984 NE1 TRP A 124A 23.861 -7.585 -2.412 1.00 12.68 N ATOM 985 CE2 TRP A 124A 23.340 -7.668 -3.676 1.00 10.66 C ATOM 986 CE3 TRP A 124A 21.172 -8.197 -4.661 1.00 10.22 C ATOM 987 CZ2 TRP A 124A 23.857 -7.346 -4.850 1.00 11.66 C ATOM 988 CZ3 TRP A 124A 21.714 -7.942 -5.933 1.00 12.14 C ATOM 989 CH2 TRP A 124A 23.094 -7.486 -6.004 1.00 10.85 C ATOM 990 HE1 TRP A 124A 24.824 -7.266 -2.185 1.00 0.00 H ATOM 991 H TRP A 124A 22.219 -10.748 -0.734 1.00 0.00 H ATOM 992 N GLN A 125 18.902 -10.997 -3.046 1.00 9.38 N ATOM 993 CA GLN A 125 18.518 -11.836 -4.160 1.00 10.18 C ATOM 994 C GLN A 125 19.144 -11.419 -5.461 1.00 9.99 C ATOM 995 O GLN A 125 18.862 -10.336 -5.927 1.00 11.02 O ATOM 996 CB GLN A 125 17.050 -11.901 -4.213 1.00 9.71 C ATOM 997 CG GLN A 125 16.561 -12.888 -5.273 1.00 11.62 C ATOM 998 CD GLN A 125 16.880 -14.272 -4.957 1.00 14.67 C ATOM 999 OE1 GLN A 125 17.984 -14.748 -5.492 1.00 13.93 O ATOM 1000 NE2 GLN A 125 16.175 -14.873 -4.094 1.00 16.21 N ATOM 1001 HE22 GLN A 125 15.314 -14.424 -3.722 1.00 0.00 H ATOM 1002 HE21 GLN A 125 16.457 -15.816 -3.757 1.00 0.00 H ATOM 1003 H GLN A 125 18.174 -10.377 -2.636 1.00 0.00 H ATOM 1004 N ARG A 126 19.949 -12.330 -6.081 1.00 13.51 N ATOM 1005 CA ARG A 126 20.465 -12.090 -7.360 1.00 14.05 C ATOM 1006 C ARG A 126 19.756 -12.887 -8.439 1.00 14.94 C ATOM 1007 O ARG A 126 19.913 -12.593 -9.626 1.00 20.83 O ATOM 1008 CB ARG A 126 21.985 -12.326 -7.305 1.00 19.96 C ATOM 1009 CG ARG A 126 22.711 -11.338 -6.255 1.00 23.86 C ATOM 1010 CD ARG A 126 23.932 -11.965 -5.574 1.00 27.19 C ATOM 1011 NE ARG A 126 24.628 -11.181 -4.513 1.00 27.45 N ATOM 1012 CZ ARG A 126 25.565 -10.313 -4.822 1.00 22.09 C ATOM 1013 NH1 ARG A 126 25.704 -9.992 -6.145 1.00 21.80 N ATOM 1014 NH2 ARG A 126 26.190 -9.617 -3.870 1.00 24.64 N ATOM 1015 HE ARG A 126 24.368 -11.323 -3.516 1.00 0.00 H ATOM 1016 HH12 ARG A 126 26.431 -9.310 -6.441 1.00 0.00 H ATOM 1017 HH11 ARG A 126 25.082 -10.430 -6.854 1.00 0.00 H ATOM 1018 HH22 ARG A 126 26.930 -8.933 -4.127 1.00 0.00 H ATOM 1019 HH21 ARG A 126 25.937 -9.759 -2.871 1.00 0.00 H ATOM 1020 H ARG A 126 20.183 -13.219 -5.594 1.00 0.00 H ATOM 1021 N VAL A 127 18.964 -13.859 -8.078 1.00 14.42 N ATOM 1022 CA VAL A 127 18.261 -14.632 -9.101 1.00 15.22 C ATOM 1023 C VAL A 127 16.999 -13.925 -9.469 1.00 14.74 C ATOM 1024 O VAL A 127 16.135 -13.662 -8.615 1.00 15.45 O ATOM 1025 CB VAL A 127 18.030 -16.066 -8.599 1.00 16.73 C ATOM 1026 CG1 VAL A 127 17.311 -16.905 -9.634 1.00 15.99 C ATOM 1027 CG2 VAL A 127 19.426 -16.644 -8.252 1.00 18.53 C ATOM 1028 H VAL A 127 18.834 -14.082 -7.071 1.00 0.00 H ATOM 1029 N ASP A 128 16.906 -13.570 -10.754 1.00 14.93 N ATOM 1030 CA ASP A 128 15.819 -12.742 -11.279 1.00 13.36 C ATOM 1031 C ASP A 128 14.639 -13.577 -11.704 1.00 13.99 C ATOM 1032 O ASP A 128 14.451 -13.788 -12.917 1.00 17.33 O ATOM 1033 CB ASP A 128 16.292 -11.764 -12.360 1.00 13.70 C ATOM 1034 CG ASP A 128 15.274 -10.703 -12.725 1.00 14.67 C ATOM 1035 OD1 ASP A 128 14.182 -10.782 -12.152 1.00 16.94 O ATOM 1036 OD2 ASP A 128 15.578 -9.932 -13.711 1.00 17.60 O ATOM 1037 H ASP A 128 17.641 -13.898 -11.413 1.00 0.00 H ATOM 1038 N ARG A 129 13.828 -13.934 -10.701 1.00 13.62 N ATOM 1039 CA ARG A 129 12.619 -14.697 -10.863 1.00 15.80 C ATOM 1040 C ARG A 129 11.689 -14.219 -9.769 1.00 17.40 C ATOM 1041 O ARG A 129 12.106 -13.918 -8.615 1.00 17.00 O ATOM 1042 CB ARG A 129 12.808 -16.293 -10.710 1.00 20.45 C ATOM 1043 CG ARG A 129 13.594 -16.961 -11.890 1.00 30.13 C ATOM 1044 CD ARG A 129 13.491 -18.499 -12.094 1.00 35.41 C ATOM 1045 NE ARG A 129 14.548 -19.316 -11.425 1.00 50.16 N ATOM 1046 CZ ARG A 129 15.837 -19.382 -11.796 1.00 47.55 C ATOM 1047 NH1 ARG A 129 16.271 -18.638 -12.814 1.00 58.55 N ATOM 1048 NH2 ARG A 129 16.727 -20.163 -11.139 1.00 43.21 N ATOM 1049 HE ARG A 129 14.261 -19.882 -10.601 1.00 0.00 H ATOM 1050 HH12 ARG A 129 17.268 -18.686 -13.105 1.00 0.00 H ATOM 1051 HH11 ARG A 129 15.612 -18.010 -13.317 1.00 0.00 H ATOM 1052 HH22 ARG A 129 17.719 -20.194 -11.449 1.00 0.00 H ATOM 1053 HH21 ARG A 129 16.418 -20.731 -10.325 1.00 0.00 H ATOM 1054 H ARG A 129 14.090 -13.640 -9.738 1.00 0.00 H ATOM 1055 N ASP A 129A 10.399 -14.318 -10.029 1.00 16.61 N ATOM 1056 CA ASP A 129A 9.438 -13.901 -9.043 1.00 17.28 C ATOM 1057 C ASP A 129A 9.374 -14.877 -7.898 1.00 17.10 C ATOM 1058 O ASP A 129A 9.349 -16.122 -8.109 1.00 20.08 O ATOM 1059 CB ASP A 129A 8.050 -13.770 -9.692 1.00 13.71 C ATOM 1060 CG ASP A 129A 7.858 -12.457 -10.501 1.00 16.04 C ATOM 1061 OD1 ASP A 129A 8.504 -11.481 -10.225 1.00 16.78 O ATOM 1062 OD2 ASP A 129A 7.062 -12.526 -11.490 1.00 18.27 O ATOM 1063 H ASP A 129A 10.078 -14.696 -10.943 1.00 0.00 H ATOM 1064 N VAL A 130 9.110 -14.265 -6.726 1.00 17.11 N ATOM 1065 CA VAL A 130 8.714 -15.048 -5.460 1.00 18.32 C ATOM 1066 C VAL A 130 7.330 -15.732 -5.711 1.00 15.49 C ATOM 1067 O VAL A 130 6.486 -15.195 -6.398 1.00 23.10 O ATOM 1068 CB VAL A 130 8.731 -13.936 -4.423 1.00 26.38 C ATOM 1069 CG1 VAL A 130 7.894 -14.186 -3.235 1.00 30.04 C ATOM 1070 CG2 VAL A 130 10.211 -13.585 -4.152 1.00 23.97 C ATOM 1071 H VAL A 130 9.176 -13.228 -6.675 1.00 0.00 H ATOM 1072 N ALA A 131 7.072 -16.835 -5.091 1.00 15.65 N ATOM 1073 CA ALA A 131 5.782 -17.466 -5.154 1.00 15.99 C ATOM 1074 C ALA A 131 4.715 -16.530 -4.607 1.00 14.38 C ATOM 1075 O ALA A 131 4.884 -15.894 -3.598 1.00 11.23 O ATOM 1076 CB ALA A 131 5.734 -18.786 -4.384 1.00 12.83 C ATOM 1077 H ALA A 131 7.823 -17.282 -4.527 1.00 0.00 H ATOM 1078 N PRO A 132 3.534 -16.549 -5.276 1.00 11.47 N ATOM 1079 CA PRO A 132 2.414 -15.761 -4.723 1.00 10.85 C ATOM 1080 C PRO A 132 2.130 -16.129 -3.318 1.00 9.88 C ATOM 1081 O PRO A 132 2.161 -17.330 -2.928 1.00 9.86 O ATOM 1082 CB PRO A 132 1.261 -16.133 -5.582 1.00 13.44 C ATOM 1083 CG PRO A 132 1.836 -16.656 -6.833 1.00 17.35 C ATOM 1084 CD PRO A 132 3.137 -17.282 -6.458 1.00 14.72 C ATOM 1085 N GLY A 133 1.861 -15.182 -2.467 1.00 8.46 N ATOM 1086 CA GLY A 133 1.560 -15.378 -1.065 1.00 8.05 C ATOM 1087 C GLY A 133 2.642 -15.601 -0.109 1.00 8.81 C ATOM 1088 O GLY A 133 2.388 -15.701 1.066 1.00 10.15 O ATOM 1089 H GLY A 133 1.862 -14.205 -2.823 1.00 0.00 H ATOM 1090 N THR A 134 3.857 -15.666 -0.618 1.00 8.84 N ATOM 1091 CA THR A 134 5.052 -15.797 0.251 1.00 11.06 C ATOM 1092 C THR A 134 4.955 -14.714 1.303 1.00 9.73 C ATOM 1093 O THR A 134 4.778 -13.514 0.985 1.00 10.14 O ATOM 1094 CB THR A 134 6.294 -15.653 -0.594 1.00 11.75 C ATOM 1095 OG1 THR A 134 6.427 -16.662 -1.589 1.00 12.66 O ATOM 1096 CG2 THR A 134 7.608 -15.672 0.305 1.00 12.78 C ATOM 1097 HG1 THR A 134 5.648 -16.627 -2.199 1.00 0.00 H ATOM 1098 H THR A 134 3.980 -15.625 -1.650 1.00 0.00 H ATOM 1099 N LEU A 135 5.146 -15.095 2.560 1.00 10.92 N ATOM 1100 CA LEU A 135 5.059 -14.206 3.698 1.00 11.45 C ATOM 1101 C LEU A 135 6.411 -13.516 3.883 1.00 10.87 C ATOM 1102 O LEU A 135 7.409 -14.131 4.273 1.00 15.62 O ATOM 1103 CB LEU A 135 4.619 -14.932 4.970 1.00 16.82 C ATOM 1104 CG LEU A 135 3.180 -14.936 5.336 1.00 21.19 C ATOM 1105 CD1 LEU A 135 3.157 -15.576 6.760 1.00 26.42 C ATOM 1106 CD2 LEU A 135 2.469 -13.586 5.434 1.00 19.08 C ATOM 1107 H LEU A 135 5.372 -16.094 2.738 1.00 0.00 H ATOM 1108 N CYS A 136 6.475 -12.212 3.599 1.00 8.86 N ATOM 1109 CA CYS A 136 7.692 -11.461 3.713 1.00 9.97 C ATOM 1110 C CYS A 136 7.579 -10.396 4.788 1.00 9.47 C ATOM 1111 O CYS A 136 6.522 -9.956 5.162 1.00 13.40 O ATOM 1112 CB CYS A 136 7.986 -10.780 2.411 1.00 10.19 C ATOM 1113 SG CYS A 136 8.021 -11.841 0.926 1.00 12.71 S ATOM 1114 H CYS A 136 5.612 -11.724 3.284 1.00 0.00 H ATOM 1115 N ASP A 137 8.724 -10.054 5.338 1.00 9.01 N ATOM 1116 CA ASP A 137 8.789 -9.212 6.517 1.00 8.54 C ATOM 1117 C ASP A 137 9.227 -7.811 6.066 1.00 9.46 C ATOM 1118 O ASP A 137 10.167 -7.663 5.358 1.00 10.71 O ATOM 1119 CB ASP A 137 9.847 -9.760 7.520 1.00 12.20 C ATOM 1120 CG ASP A 137 9.940 -8.976 8.805 1.00 19.96 C ATOM 1121 OD1 ASP A 137 9.275 -9.307 9.649 1.00 27.79 O ATOM 1122 OD2 ASP A 137 10.646 -7.920 8.967 1.00 24.38 O ATOM 1123 H ASP A 137 9.609 -10.398 4.915 1.00 0.00 H ATOM 1124 N VAL A 138 8.495 -6.781 6.508 1.00 8.96 N ATOM 1125 CA VAL A 138 8.806 -5.402 6.254 1.00 9.49 C ATOM 1126 C VAL A 138 8.884 -4.718 7.625 1.00 9.47 C ATOM 1127 O VAL A 138 8.028 -4.878 8.439 1.00 11.29 O ATOM 1128 CB VAL A 138 7.871 -4.670 5.307 1.00 14.01 C ATOM 1129 CG1 VAL A 138 6.540 -4.643 5.689 1.00 19.21 C ATOM 1130 CG2 VAL A 138 8.237 -3.247 5.070 1.00 14.08 C ATOM 1131 H VAL A 138 7.647 -6.993 7.071 1.00 0.00 H ATOM 1132 N ALA A 139 9.945 -3.957 7.845 1.00 8.06 N ATOM 1133 CA ALA A 139 10.151 -3.265 9.111 1.00 7.97 C ATOM 1134 C ALA A 139 10.441 -1.796 8.843 1.00 7.77 C ATOM 1135 O ALA A 139 10.960 -1.444 7.792 1.00 7.74 O ATOM 1136 CB ALA A 139 11.310 -3.901 9.860 1.00 8.39 C ATOM 1137 H ALA A 139 10.653 -3.850 7.091 1.00 0.00 H ATOM 1138 N GLY A 140 10.186 -0.952 9.860 1.00 7.60 N ATOM 1139 CA GLY A 140 10.506 0.411 9.719 1.00 7.49 C ATOM 1140 C GLY A 140 10.049 1.300 10.893 1.00 7.49 C ATOM 1141 O GLY A 140 9.359 0.814 11.820 1.00 8.04 O ATOM 1142 H GLY A 140 9.757 -1.303 10.740 1.00 0.00 H ATOM 1143 N TRP A 141 10.517 2.514 10.878 1.00 6.56 N ATOM 1144 CA TRP A 141 10.174 3.539 11.862 1.00 7.25 C ATOM 1145 C TRP A 141 9.207 4.555 11.310 1.00 7.98 C ATOM 1146 O TRP A 141 9.102 5.642 11.868 1.00 8.28 O ATOM 1147 CB TRP A 141 11.440 4.213 12.418 1.00 7.29 C ATOM 1148 CG TRP A 141 12.409 3.403 13.180 1.00 6.94 C ATOM 1149 CD1 TRP A 141 12.427 3.310 14.584 1.00 7.95 C ATOM 1150 CD2 TRP A 141 13.584 2.680 12.745 1.00 7.68 C ATOM 1151 NE1 TRP A 141 13.508 2.612 14.974 1.00 8.89 N ATOM 1152 CE2 TRP A 141 14.233 2.192 13.876 1.00 8.18 C ATOM 1153 CE3 TRP A 141 14.106 2.429 11.451 1.00 7.76 C ATOM 1154 CZ2 TRP A 141 15.396 1.453 13.814 1.00 8.78 C ATOM 1155 CZ3 TRP A 141 15.296 1.671 11.396 1.00 7.88 C ATOM 1156 CH2 TRP A 141 15.917 1.229 12.554 1.00 8.91 C ATOM 1157 HE1 TRP A 141 13.762 2.416 15.963 1.00 0.00 H ATOM 1158 H TRP A 141 11.177 2.772 10.117 1.00 0.00 H ATOM 1159 N GLY A 142 8.441 4.193 10.244 1.00 7.92 N ATOM 1160 CA GLY A 142 7.451 5.050 9.705 1.00 7.95 C ATOM 1161 C GLY A 142 6.203 5.169 10.542 1.00 8.79 C ATOM 1162 O GLY A 142 6.095 4.577 11.652 1.00 8.68 O ATOM 1163 H GLY A 142 8.588 3.258 9.812 1.00 0.00 H ATOM 1164 N ILE A 143 5.251 5.960 10.081 1.00 8.16 N ATOM 1165 CA ILE A 143 4.113 6.255 10.884 1.00 9.35 C ATOM 1166 C ILE A 143 3.271 5.021 11.166 1.00 10.57 C ATOM 1167 O ILE A 143 3.208 4.118 10.348 1.00 9.21 O ATOM 1168 CB ILE A 143 3.266 7.369 10.289 1.00 10.04 C ATOM 1169 CG1 ILE A 143 2.630 7.003 8.948 1.00 10.02 C ATOM 1170 CG2 ILE A 143 4.086 8.646 10.119 1.00 10.11 C ATOM 1171 CD1 ILE A 143 1.679 8.099 8.382 1.00 10.75 C ATOM 1172 H ILE A 143 5.333 6.369 9.128 1.00 0.00 H ATOM 1173 N VAL A 144 2.582 5.022 12.298 1.00 11.05 N ATOM 1174 CA VAL A 144 1.873 3.828 12.798 1.00 11.58 C ATOM 1175 C VAL A 144 0.363 4.016 12.863 1.00 9.72 C ATOM 1176 O VAL A 144 -0.334 3.117 13.287 1.00 11.96 O ATOM 1177 CB VAL A 144 2.461 3.333 14.126 1.00 11.97 C ATOM 1178 CG1 VAL A 144 3.857 2.907 13.987 1.00 12.28 C ATOM 1179 CG2 VAL A 144 2.270 4.361 15.305 1.00 11.49 C ATOM 1180 H VAL A 144 2.539 5.899 12.856 1.00 0.00 H ATOM 1181 N ASN A 145 -0.184 5.158 12.518 1.00 11.61 N ATOM 1182 CA ASN A 145 -1.622 5.351 12.453 1.00 11.49 C ATOM 1183 C ASN A 145 -1.964 6.408 11.488 1.00 12.62 C ATOM 1184 O ASN A 145 -1.079 7.091 10.946 1.00 11.58 O ATOM 1185 CB ASN A 145 -2.166 5.580 13.832 1.00 11.36 C ATOM 1186 CG ASN A 145 -1.690 6.879 14.484 1.00 11.89 C ATOM 1187 OD1 ASN A 145 -1.292 7.795 13.820 1.00 12.86 O ATOM 1188 ND2 ASN A 145 -1.765 6.961 15.820 1.00 15.63 N ATOM 1189 HD22 ASN A 145 -2.114 6.152 16.372 1.00 0.00 H ATOM 1190 HD21 ASN A 145 -1.474 7.834 16.305 1.00 0.00 H ATOM 1191 H ASN A 145 0.438 5.957 12.281 1.00 0.00 H ATOM 1192 N HIS A 146 -3.267 6.645 11.286 1.00 12.62 N ATOM 1193 CA HIS A 146 -3.692 7.653 10.282 1.00 13.51 C ATOM 1194 C HIS A 146 -3.401 9.110 10.707 1.00 11.65 C ATOM 1195 O HIS A 146 -3.313 9.994 9.827 1.00 12.11 O ATOM 1196 CB HIS A 146 -5.178 7.495 9.999 1.00 13.82 C ATOM 1197 CG HIS A 146 -5.510 6.359 9.174 1.00 13.73 C ATOM 1198 ND1 HIS A 146 -6.817 6.208 8.674 1.00 15.36 N ATOM 1199 CD2 HIS A 146 -4.840 5.258 8.852 1.00 15.87 C ATOM 1200 CE1 HIS A 146 -6.852 5.067 8.027 1.00 17.19 C ATOM 1201 NE2 HIS A 146 -5.682 4.493 8.109 1.00 17.88 N ATOM 1202 H HIS A 146 -3.981 6.123 11.833 1.00 0.00 H ATOM 1203 N ALA A 147 -3.282 9.325 11.982 1.00 12.46 N ATOM 1204 CA ALA A 147 -2.941 10.661 12.515 1.00 12.48 C ATOM 1205 C ALA A 147 -1.487 11.047 12.243 1.00 11.26 C ATOM 1206 O ALA A 147 -1.083 12.159 12.422 1.00 11.08 O ATOM 1207 CB ALA A 147 -3.133 10.647 14.041 1.00 15.63 C ATOM 1208 H ALA A 147 -3.430 8.537 12.645 1.00 0.00 H ATOM 1209 N GLY A 149 -0.627 9.955 11.929 1.00 10.92 N ATOM 1210 CA GLY A 149 0.784 10.208 11.705 1.00 11.41 C ATOM 1211 C GLY A 149 1.701 10.035 12.928 1.00 10.49 C ATOM 1212 O GLY A 149 2.811 10.465 12.848 1.00 11.09 O ATOM 1213 H GLY A 149 -1.006 8.989 11.861 1.00 0.00 H ATOM 1214 N ARG A 150 1.330 9.318 13.966 1.00 10.28 N ATOM 1215 CA ARG A 150 2.215 9.068 15.029 1.00 11.26 C ATOM 1216 C ARG A 150 3.459 8.413 14.607 1.00 10.26 C ATOM 1217 O ARG A 150 3.408 7.331 13.886 1.00 9.70 O ATOM 1218 CB ARG A 150 1.487 8.237 16.066 1.00 14.02 C ATOM 1219 CG ARG A 150 2.388 8.318 17.295 1.00 19.65 C ATOM 1220 CD ARG A 150 2.789 7.263 18.071 1.00 35.08 C ATOM 1221 NE ARG A 150 1.824 6.300 18.478 1.00 32.22 N ATOM 1222 CZ ARG A 150 2.296 5.100 18.851 1.00 40.31 C ATOM 1223 NH1 ARG A 150 3.671 4.860 18.973 1.00 30.67 N ATOM 1224 NH2 ARG A 150 1.429 4.119 19.099 1.00 51.66 N ATOM 1225 HE ARG A 150 0.806 6.515 18.486 1.00 0.00 H ATOM 1226 HH12 ARG A 150 4.011 3.921 19.264 1.00 0.00 H ATOM 1227 HH11 ARG A 150 4.351 5.621 18.773 1.00 0.00 H ATOM 1228 HH22 ARG A 150 1.773 3.182 19.389 1.00 0.00 H ATOM 1229 HH21 ARG A 150 0.408 4.291 19.002 1.00 0.00 H ATOM 1230 H ARG A 150 0.366 8.930 14.001 1.00 0.00 H ATOM 1231 N ARG A 151 4.637 8.881 15.083 1.00 11.98 N ATOM 1232 CA ARG A 151 5.930 8.314 14.792 1.00 9.64 C ATOM 1233 C ARG A 151 6.387 7.536 15.944 1.00 9.95 C ATOM 1234 O ARG A 151 6.451 8.061 17.074 1.00 14.36 O ATOM 1235 CB ARG A 151 6.891 9.421 14.414 1.00 10.09 C ATOM 1236 CG ARG A 151 6.540 10.165 13.137 1.00 12.71 C ATOM 1237 CD ARG A 151 7.610 11.108 12.752 1.00 15.63 C ATOM 1238 NE ARG A 151 7.702 12.277 13.595 1.00 17.26 N ATOM 1239 CZ ARG A 151 8.541 13.287 13.368 1.00 16.86 C ATOM 1240 NH1 ARG A 151 9.470 13.196 12.397 1.00 18.96 N ATOM 1241 NH2 ARG A 151 8.406 14.419 13.990 1.00 21.11 N ATOM 1242 HE ARG A 151 7.079 12.334 14.426 1.00 0.00 H ATOM 1243 HH12 ARG A 151 10.122 13.988 12.225 1.00 0.00 H ATOM 1244 HH11 ARG A 151 9.536 12.334 11.819 1.00 0.00 H ATOM 1245 HH22 ARG A 151 9.069 15.198 13.802 1.00 0.00 H ATOM 1246 HH21 ARG A 151 7.635 14.547 14.676 1.00 0.00 H ATOM 1247 H ARG A 151 4.607 9.713 15.706 1.00 0.00 H ATOM 1248 N PRO A 152 6.737 6.224 15.772 1.00 9.86 N ATOM 1249 CA PRO A 152 7.189 5.378 16.865 1.00 10.57 C ATOM 1250 C PRO A 152 8.614 5.639 17.208 1.00 10.82 C ATOM 1251 O PRO A 152 9.477 5.976 16.344 1.00 12.22 O ATOM 1252 CB PRO A 152 7.014 4.011 16.246 1.00 10.03 C ATOM 1253 CG PRO A 152 7.337 4.183 14.781 1.00 10.22 C ATOM 1254 CD PRO A 152 6.736 5.567 14.479 1.00 9.14 C ATOM 1255 N ASP A 153 8.975 5.500 18.501 1.00 9.23 N ATOM 1256 CA ASP A 153 10.374 5.538 18.844 1.00 8.86 C ATOM 1257 C ASP A 153 11.112 4.347 18.378 1.00 9.40 C ATOM 1258 O ASP A 153 12.343 4.373 18.188 1.00 10.40 O ATOM 1259 CB ASP A 153 10.537 5.729 20.379 1.00 9.12 C ATOM 1260 CG ASP A 153 12.043 5.722 20.910 1.00 9.16 C ATOM 1261 OD1 ASP A 153 12.739 6.683 20.580 1.00 12.26 O ATOM 1262 OD2 ASP A 153 12.410 4.715 21.426 1.00 11.45 O ATOM 1263 H ASP A 153 8.254 5.367 19.239 1.00 0.00 H ATOM 1264 N SER A 154 10.506 3.151 18.351 1.00 9.05 N ATOM 1265 CA SER A 154 11.192 1.917 18.089 1.00 11.74 C ATOM 1266 C SER A 154 10.725 1.243 16.828 1.00 9.69 C ATOM 1267 O SER A 154 9.617 1.514 16.303 1.00 10.36 O ATOM 1268 CB SER A 154 10.986 0.960 19.220 1.00 15.16 C ATOM 1269 OG SER A 154 9.691 0.745 19.439 1.00 19.77 O ATOM 1270 HG SER A 154 9.249 1.602 19.665 1.00 0.00 H ATOM 1271 H SER A 154 9.482 3.115 18.530 1.00 0.00 H ATOM 1272 N LEU A 155 11.542 0.340 16.378 1.00 8.58 N ATOM 1273 CA LEU A 155 11.324 -0.338 15.101 1.00 7.51 C ATOM 1274 C LEU A 155 10.068 -1.167 15.186 1.00 7.85 C ATOM 1275 O LEU A 155 9.858 -1.946 16.170 1.00 9.57 O ATOM 1276 CB LEU A 155 12.485 -1.215 14.782 1.00 7.87 C ATOM 1277 CG LEU A 155 12.492 -1.879 13.403 1.00 7.37 C ATOM 1278 CD1 LEU A 155 12.675 -0.897 12.299 1.00 6.46 C ATOM 1279 CD2 LEU A 155 13.554 -2.981 13.358 1.00 9.64 C ATOM 1280 H LEU A 155 12.378 0.091 16.944 1.00 0.00 H ATOM 1281 N GLN A 156 9.226 -1.084 14.149 1.00 8.03 N ATOM 1282 CA GLN A 156 8.017 -1.840 14.014 1.00 7.81 C ATOM 1283 C GLN A 156 8.137 -2.810 12.816 1.00 9.27 C ATOM 1284 O GLN A 156 8.932 -2.571 11.928 1.00 9.69 O ATOM 1285 CB GLN A 156 6.759 -0.966 13.800 1.00 9.56 C ATOM 1286 CG GLN A 156 6.604 0.183 14.820 1.00 10.19 C ATOM 1287 CD GLN A 156 6.361 -0.322 16.225 1.00 13.50 C ATOM 1288 OE1 GLN A 156 5.363 -1.055 16.464 1.00 17.83 O ATOM 1289 NE2 GLN A 156 7.269 0.043 17.154 1.00 13.18 N ATOM 1290 HE22 GLN A 156 8.070 0.651 16.888 1.00 0.00 H ATOM 1291 HE21 GLN A 156 7.168 -0.283 18.136 1.00 0.00 H ATOM 1292 H GLN A 156 9.467 -0.421 13.385 1.00 0.00 H ATOM 1293 N HIS A 157 7.265 -3.816 12.756 1.00 9.00 N ATOM 1294 CA HIS A 157 7.307 -4.658 11.568 1.00 8.72 C ATOM 1295 C HIS A 157 5.956 -5.317 11.324 1.00 10.62 C ATOM 1296 O HIS A 157 5.091 -5.314 12.222 1.00 10.86 O ATOM 1297 CB HIS A 157 8.342 -5.729 11.695 1.00 10.63 C ATOM 1298 CG HIS A 157 7.911 -6.889 12.436 1.00 12.31 C ATOM 1299 ND1 HIS A 157 7.723 -8.124 11.833 1.00 16.44 N ATOM 1300 CD2 HIS A 157 7.560 -7.034 13.728 1.00 13.32 C ATOM 1301 CE1 HIS A 157 7.281 -8.962 12.749 1.00 22.11 C ATOM 1302 NE2 HIS A 157 7.129 -8.342 13.910 1.00 17.59 N ATOM 1303 H HIS A 157 6.585 -3.992 13.523 1.00 0.00 H ATOM 1304 N VAL A 158 5.810 -5.811 10.106 1.00 10.38 N ATOM 1305 CA VAL A 158 4.625 -6.578 9.738 1.00 9.64 C ATOM 1306 C VAL A 158 5.009 -7.603 8.721 1.00 8.87 C ATOM 1307 O VAL A 158 5.941 -7.424 7.912 1.00 11.12 O ATOM 1308 CB VAL A 158 3.558 -5.626 9.283 1.00 14.32 C ATOM 1309 CG1 VAL A 158 3.903 -4.936 7.965 1.00 12.96 C ATOM 1310 CG2 VAL A 158 2.209 -6.241 9.335 1.00 17.91 C ATOM 1311 H VAL A 158 6.554 -5.650 9.397 1.00 0.00 H ATOM 1312 N LEU A 159 4.283 -8.688 8.740 1.00 9.86 N ATOM 1313 CA LEU A 159 4.436 -9.796 7.750 1.00 10.44 C ATOM 1314 C LEU A 159 3.381 -9.583 6.708 1.00 11.67 C ATOM 1315 O LEU A 159 2.150 -9.496 7.045 1.00 15.21 O ATOM 1316 CB LEU A 159 4.193 -11.168 8.386 1.00 13.43 C ATOM 1317 CG LEU A 159 5.314 -11.644 9.242 1.00 17.39 C ATOM 1318 CD1 LEU A 159 4.995 -13.011 9.827 1.00 21.46 C ATOM 1319 CD2 LEU A 159 6.599 -11.808 8.455 1.00 22.51 C ATOM 1320 H LEU A 159 3.561 -8.786 9.482 1.00 0.00 H ATOM 1321 N LEU A 160 3.773 -9.593 5.447 1.00 9.42 N ATOM 1322 CA LEU A 160 2.829 -9.345 4.339 1.00 11.37 C ATOM 1323 C LEU A 160 2.995 -10.342 3.270 1.00 10.67 C ATOM 1324 O LEU A 160 4.102 -10.701 2.855 1.00 10.30 O ATOM 1325 CB LEU A 160 3.149 -7.949 3.687 1.00 11.04 C ATOM 1326 CG LEU A 160 3.108 -6.753 4.648 1.00 10.86 C ATOM 1327 CD1 LEU A 160 3.529 -5.494 3.843 1.00 12.47 C ATOM 1328 CD2 LEU A 160 1.761 -6.481 5.132 1.00 13.42 C ATOM 1329 H LEU A 160 4.772 -9.780 5.229 1.00 0.00 H ATOM 1330 N PRO A 161 1.867 -10.895 2.806 1.00 9.03 N ATOM 1331 CA PRO A 161 1.943 -11.853 1.728 1.00 10.03 C ATOM 1332 C PRO A 161 2.185 -11.150 0.354 1.00 8.41 C ATOM 1333 O PRO A 161 1.536 -10.149 0.049 1.00 10.12 O ATOM 1334 CB PRO A 161 0.617 -12.535 1.676 1.00 10.24 C ATOM 1335 CG PRO A 161 -0.227 -11.760 2.510 1.00 18.18 C ATOM 1336 CD PRO A 161 0.493 -10.746 3.232 1.00 11.27 C ATOM 1337 N VAL A 162 3.058 -11.716 -0.477 1.00 8.66 N ATOM 1338 CA VAL A 162 3.308 -11.234 -1.851 1.00 8.74 C ATOM 1339 C VAL A 162 2.054 -11.359 -2.699 1.00 8.46 C ATOM 1340 O VAL A 162 1.344 -12.417 -2.616 1.00 9.63 O ATOM 1341 CB VAL A 162 4.455 -11.972 -2.469 1.00 9.94 C ATOM 1342 CG1 VAL A 162 4.527 -11.696 -3.981 1.00 9.39 C ATOM 1343 CG2 VAL A 162 5.754 -11.612 -1.752 1.00 10.31 C ATOM 1344 H VAL A 162 3.593 -12.542 -0.141 1.00 0.00 H ATOM 1345 N LEU A 163 1.722 -10.311 -3.423 1.00 8.02 N ATOM 1346 CA LEU A 163 0.547 -10.278 -4.251 1.00 7.35 C ATOM 1347 C LEU A 163 1.033 -10.418 -5.715 1.00 9.17 C ATOM 1348 O LEU A 163 1.889 -9.612 -6.120 1.00 11.15 O ATOM 1349 CB LEU A 163 -0.156 -8.965 -4.124 1.00 10.34 C ATOM 1350 CG LEU A 163 -1.421 -8.795 -4.948 1.00 10.84 C ATOM 1351 CD1 LEU A 163 -2.499 -9.825 -4.496 1.00 12.85 C ATOM 1352 CD2 LEU A 163 -1.964 -7.381 -4.867 1.00 13.46 C ATOM 1353 H LEU A 163 2.335 -9.472 -3.395 1.00 0.00 H ATOM 1354 N ASP A 164 0.544 -11.405 -6.474 1.00 9.51 N ATOM 1355 CA ASP A 164 0.926 -11.629 -7.811 1.00 8.78 C ATOM 1356 C ASP A 164 0.757 -10.327 -8.682 1.00 9.46 C ATOM 1357 O ASP A 164 -0.114 -9.530 -8.503 1.00 8.94 O ATOM 1358 CB ASP A 164 0.130 -12.734 -8.475 1.00 8.81 C ATOM 1359 CG ASP A 164 -1.321 -12.384 -8.681 1.00 9.38 C ATOM 1360 OD1 ASP A 164 -2.134 -12.431 -7.726 1.00 11.46 O ATOM 1361 OD2 ASP A 164 -1.634 -12.001 -9.796 1.00 10.69 O ATOM 1362 H ASP A 164 -0.159 -12.044 -6.052 1.00 0.00 H ATOM 1363 N ARG A 165 1.656 -10.227 -9.667 1.00 8.96 N ATOM 1364 CA ARG A 165 1.742 -8.979 -10.411 1.00 9.41 C ATOM 1365 C ARG A 165 0.417 -8.732 -11.229 1.00 9.37 C ATOM 1366 O ARG A 165 0.055 -7.588 -11.418 1.00 10.24 O ATOM 1367 CB ARG A 165 2.971 -8.988 -11.337 1.00 9.08 C ATOM 1368 CG ARG A 165 3.227 -7.734 -12.097 1.00 9.45 C ATOM 1369 CD ARG A 165 4.523 -7.674 -12.881 1.00 10.55 C ATOM 1370 NE ARG A 165 5.676 -7.845 -12.075 1.00 10.43 N ATOM 1371 CZ ARG A 165 6.271 -8.970 -11.770 1.00 9.97 C ATOM 1372 NH1 ARG A 165 5.958 -10.103 -12.346 1.00 10.44 N ATOM 1373 NH2 ARG A 165 7.186 -8.971 -10.776 1.00 11.88 N ATOM 1374 HE ARG A 165 6.097 -6.979 -11.682 1.00 0.00 H ATOM 1375 HH12 ARG A 165 6.453 -10.977 -12.077 1.00 0.00 H ATOM 1376 HH11 ARG A 165 5.214 -10.129 -13.072 1.00 0.00 H ATOM 1377 HH22 ARG A 165 7.671 -9.854 -10.517 1.00 0.00 H ATOM 1378 HH21 ARG A 165 7.405 -8.089 -10.270 1.00 0.00 H ATOM 1379 H ARG A 165 2.281 -11.025 -9.897 1.00 0.00 H ATOM 1380 N ALA A 166 -0.164 -9.812 -11.765 1.00 9.44 N ATOM 1381 CA ALA A 166 -1.429 -9.599 -12.500 1.00 10.49 C ATOM 1382 C ALA A 166 -2.507 -9.008 -11.660 1.00 9.38 C ATOM 1383 O ALA A 166 -3.148 -8.016 -12.061 1.00 11.08 O ATOM 1384 CB ALA A 166 -1.898 -10.866 -13.138 1.00 11.44 C ATOM 1385 H ALA A 166 0.256 -10.759 -11.669 1.00 0.00 H ATOM 1386 N THR A 167 -2.716 -9.445 -10.385 1.00 8.67 N ATOM 1387 CA THR A 167 -3.703 -8.789 -9.585 1.00 10.87 C ATOM 1388 C THR A 167 -3.343 -7.311 -9.359 1.00 12.25 C ATOM 1389 O THR A 167 -4.130 -6.459 -9.375 1.00 11.08 O ATOM 1390 CB THR A 167 -3.875 -9.462 -8.210 1.00 11.22 C ATOM 1391 OG1 THR A 167 -4.207 -10.841 -8.387 1.00 11.37 O ATOM 1392 CG2 THR A 167 -4.920 -8.772 -7.249 1.00 13.28 C ATOM 1393 HG1 THR A 167 -3.481 -11.293 -8.886 1.00 0.00 H ATOM 1394 H THR A 167 -2.167 -10.241 -10.002 1.00 0.00 H ATOM 1395 N CYS A 168 -2.063 -7.127 -9.057 1.00 9.44 N ATOM 1396 CA CYS A 168 -1.560 -5.819 -8.743 1.00 10.20 C ATOM 1397 C CYS A 168 -1.717 -4.823 -9.911 1.00 8.83 C ATOM 1398 O CYS A 168 -1.905 -3.632 -9.680 1.00 10.89 O ATOM 1399 CB CYS A 168 -0.066 -5.928 -8.407 1.00 10.22 C ATOM 1400 SG CYS A 168 0.396 -4.540 -7.274 1.00 11.29 S ATOM 1401 H CYS A 168 -1.416 -7.941 -9.048 1.00 0.00 H ATOM 1402 N ASN A 169 -1.735 -5.344 -11.117 1.00 8.65 N ATOM 1403 CA ASN A 169 -1.882 -4.563 -12.385 1.00 9.65 C ATOM 1404 C ASN A 169 -3.328 -4.410 -12.851 1.00 12.44 C ATOM 1405 O ASN A 169 -3.548 -3.667 -13.811 1.00 15.07 O ATOM 1406 CB ASN A 169 -1.092 -5.174 -13.503 1.00 11.15 C ATOM 1407 CG ASN A 169 0.290 -4.605 -13.573 1.00 10.02 C ATOM 1408 OD1 ASN A 169 0.426 -3.386 -13.221 1.00 11.31 O ATOM 1409 ND2 ASN A 169 1.258 -5.387 -14.030 1.00 9.86 N ATOM 1410 HD22 ASN A 169 1.051 -6.372 -14.293 1.00 0.00 H ATOM 1411 HD21 ASN A 169 2.225 -5.016 -14.126 1.00 0.00 H ATOM 1412 H ASN A 169 -1.640 -6.377 -11.196 1.00 0.00 H ATOM 1413 N ARG A 170 -4.292 -4.935 -12.098 1.00 11.36 N ATOM 1414 CA ARG A 170 -5.673 -4.710 -12.474 1.00 10.90 C ATOM 1415 C ARG A 170 -5.993 -3.269 -12.484 1.00 13.42 C ATOM 1416 O ARG A 170 -5.501 -2.508 -11.696 1.00 14.83 O ATOM 1417 CB ARG A 170 -6.686 -5.433 -11.535 1.00 13.10 C ATOM 1418 CG ARG A 170 -6.638 -6.956 -11.581 1.00 12.85 C ATOM 1419 CD ARG A 170 -7.536 -7.520 -10.503 1.00 14.81 C ATOM 1420 NE ARG A 170 -7.610 -8.959 -10.364 1.00 15.66 N ATOM 1421 CZ ARG A 170 -8.437 -9.575 -9.535 1.00 22.34 C ATOM 1422 NH1 ARG A 170 -9.331 -8.898 -8.856 1.00 21.76 N ATOM 1423 NH2 ARG A 170 -8.317 -10.848 -9.304 1.00 22.34 N ATOM 1424 HE ARG A 170 -6.977 -9.542 -10.949 1.00 0.00 H ATOM 1425 HH12 ARG A 170 -9.976 -9.393 -8.207 1.00 0.00 H ATOM 1426 HH11 ARG A 170 -9.395 -7.866 -8.966 1.00 0.00 H ATOM 1427 HH22 ARG A 170 -8.973 -11.322 -8.650 1.00 0.00 H ATOM 1428 HH21 ARG A 170 -7.565 -11.393 -9.773 1.00 0.00 H ATOM 1429 H ARG A 170 -4.058 -5.497 -11.255 1.00 0.00 H ATOM 1430 N ARG A 170A -7.032 -2.934 -13.274 1.00 16.09 N ATOM 1431 CA ARG A 170A -7.435 -1.530 -13.407 1.00 17.86 C ATOM 1432 C ARG A 170A -7.892 -1.008 -12.020 1.00 16.52 C ATOM 1433 O ARG A 170A -7.638 0.153 -11.699 1.00 19.75 O ATOM 1434 CB ARG A 170A -8.635 -1.440 -14.384 1.00 20.57 C ATOM 1435 CG ARG A 170A -8.810 -0.002 -14.948 1.00 34.26 C ATOM 1436 CD ARG A 170A -8.505 0.083 -16.487 1.00 45.14 C ATOM 1437 NE ARG A 170A -8.577 1.430 -17.061 1.00 61.40 N ATOM 1438 CZ ARG A 170A -9.706 2.086 -17.306 1.00 62.37 C ATOM 1439 NH1 ARG A 170A -10.890 1.557 -17.015 1.00 68.09 N ATOM 1440 NH2 ARG A 170A -9.649 3.296 -17.823 1.00 68.26 N ATOM 1441 HE ARG A 170A -7.681 1.905 -17.293 1.00 0.00 H ATOM 1442 HH12 ARG A 170A -11.761 2.089 -17.216 1.00 0.00 H ATOM 1443 HH11 ARG A 170A -10.946 0.611 -16.587 1.00 0.00 H ATOM 1444 HH22 ARG A 170A -10.526 3.819 -18.019 1.00 0.00 H ATOM 1445 HH21 ARG A 170A -8.727 3.728 -18.035 1.00 0.00 H ATOM 1446 H ARG A 170A -7.550 -3.673 -13.791 1.00 0.00 H ATOM 1447 N THR A 170B -8.496 -1.872 -11.161 1.00 16.17 N ATOM 1448 CA THR A 170B -8.920 -1.532 -9.839 1.00 18.04 C ATOM 1449 C THR A 170B -7.762 -1.335 -8.880 1.00 15.56 C ATOM 1450 O THR A 170B -7.924 -0.688 -7.839 1.00 17.69 O ATOM 1451 CB THR A 170B -9.743 -2.683 -9.247 1.00 16.01 C ATOM 1452 OG1 THR A 170B -9.105 -3.993 -9.371 1.00 19.22 O ATOM 1453 CG2 THR A 170B -11.148 -2.842 -9.980 1.00 21.00 C ATOM 1454 HG1 THR A 170B -9.690 -4.683 -8.970 1.00 0.00 H ATOM 1455 H THR A 170B -8.660 -2.846 -11.488 1.00 0.00 H ATOM 1456 N HIS A 171 -6.549 -1.789 -9.293 1.00 13.90 N ATOM 1457 CA HIS A 171 -5.368 -1.754 -8.438 1.00 12.79 C ATOM 1458 C HIS A 171 -4.458 -0.767 -9.002 1.00 11.53 C ATOM 1459 O HIS A 171 -4.766 0.444 -8.966 1.00 15.23 O ATOM 1460 CB HIS A 171 -4.831 -3.193 -8.284 1.00 12.86 C ATOM 1461 CG HIS A 171 -5.706 -4.086 -7.404 1.00 12.89 C ATOM 1462 ND1 HIS A 171 -7.010 -4.471 -7.731 1.00 14.35 N ATOM 1463 CD2 HIS A 171 -5.409 -4.765 -6.262 1.00 14.54 C ATOM 1464 CE1 HIS A 171 -7.448 -5.298 -6.814 1.00 16.65 C ATOM 1465 NE2 HIS A 171 -6.517 -5.479 -5.903 1.00 14.89 N ATOM 1466 H HIS A 171 -6.460 -2.176 -10.254 1.00 0.00 H ATOM 1467 N HIS A 172 -3.233 -1.152 -9.466 1.00 11.09 N ATOM 1468 CA HIS A 172 -2.262 -0.229 -10.021 1.00 11.11 C ATOM 1469 C HIS A 172 -2.306 -0.118 -11.548 1.00 11.92 C ATOM 1470 O HIS A 172 -1.444 0.565 -12.110 1.00 13.60 O ATOM 1471 CB HIS A 172 -0.836 -0.502 -9.499 1.00 10.13 C ATOM 1472 CG HIS A 172 -0.700 -0.201 -8.039 1.00 9.73 C ATOM 1473 ND1 HIS A 172 -0.928 1.012 -7.510 1.00 11.17 N ATOM 1474 CD2 HIS A 172 -0.343 -1.001 -6.981 1.00 11.47 C ATOM 1475 CE1 HIS A 172 -0.631 1.015 -6.218 1.00 11.74 C ATOM 1476 NE2 HIS A 172 -0.339 -0.230 -5.843 1.00 11.21 N ATOM 1477 H HIS A 172 -2.983 -2.160 -9.419 1.00 0.00 H ATOM 1478 N ASP A 173 -3.304 -0.678 -12.180 1.00 12.81 N ATOM 1479 CA ASP A 173 -3.622 -0.339 -13.597 1.00 15.98 C ATOM 1480 C ASP A 173 -2.414 -0.315 -14.531 1.00 12.98 C ATOM 1481 O ASP A 173 -2.139 0.659 -15.273 1.00 15.65 O ATOM 1482 CB ASP A 173 -4.454 0.994 -13.684 1.00 18.86 C ATOM 1483 CG ASP A 173 -5.019 1.247 -15.020 1.00 22.82 C ATOM 1484 OD1 ASP A 173 -5.284 0.274 -15.729 1.00 22.75 O ATOM 1485 OD2 ASP A 173 -5.149 2.424 -15.361 1.00 28.80 O ATOM 1486 H ASP A 173 -3.891 -1.377 -11.682 1.00 0.00 H ATOM 1487 N GLY A 174 -1.712 -1.446 -14.547 1.00 13.16 N ATOM 1488 CA GLY A 174 -0.655 -1.651 -15.528 1.00 13.88 C ATOM 1489 C GLY A 174 0.743 -1.059 -15.200 1.00 12.72 C ATOM 1490 O GLY A 174 1.683 -1.333 -15.912 1.00 15.79 O ATOM 1491 H GLY A 174 -1.920 -2.191 -13.852 1.00 0.00 H ATOM 1492 N ALA A 175 0.854 -0.391 -14.042 1.00 13.98 N ATOM 1493 CA ALA A 175 2.128 0.323 -13.739 1.00 13.25 C ATOM 1494 C ALA A 175 3.167 -0.628 -13.136 1.00 13.83 C ATOM 1495 O ALA A 175 4.325 -0.211 -12.986 1.00 14.06 O ATOM 1496 CB ALA A 175 1.746 1.414 -12.737 1.00 14.24 C ATOM 1497 H ALA A 175 0.064 -0.371 -13.366 1.00 0.00 H ATOM 1498 N ILE A 176 2.842 -1.865 -12.758 1.00 10.36 N ATOM 1499 CA ILE A 176 3.810 -2.781 -12.127 1.00 11.06 C ATOM 1500 C ILE A 176 4.559 -3.505 -13.221 1.00 10.16 C ATOM 1501 O ILE A 176 4.081 -4.385 -13.902 1.00 11.97 O ATOM 1502 CB ILE A 176 3.098 -3.714 -11.198 1.00 10.43 C ATOM 1503 CG1 ILE A 176 2.087 -2.982 -10.257 1.00 10.85 C ATOM 1504 CG2 ILE A 176 4.198 -4.506 -10.434 1.00 10.65 C ATOM 1505 CD1 ILE A 176 2.732 -1.889 -9.385 1.00 10.80 C ATOM 1506 H ILE A 176 1.869 -2.196 -12.914 1.00 0.00 H ATOM 1507 N THR A 177 5.794 -3.054 -13.492 1.00 9.89 N ATOM 1508 CA THR A 177 6.707 -3.671 -14.413 1.00 10.76 C ATOM 1509 C THR A 177 7.291 -4.980 -13.836 1.00 10.29 C ATOM 1510 O THR A 177 7.110 -5.283 -12.641 1.00 9.43 O ATOM 1511 CB THR A 177 7.853 -2.773 -14.736 1.00 10.03 C ATOM 1512 OG1 THR A 177 8.651 -2.645 -13.546 1.00 11.28 O ATOM 1513 CG2 THR A 177 7.338 -1.363 -15.161 1.00 12.80 C ATOM 1514 HG1 THR A 177 9.422 -2.052 -13.730 1.00 0.00 H ATOM 1515 H THR A 177 6.113 -2.195 -12.999 1.00 0.00 H ATOM 1516 N GLU A 178 8.043 -5.718 -14.641 1.00 10.36 N ATOM 1517 CA GLU A 178 8.742 -6.899 -14.159 1.00 11.40 C ATOM 1518 C GLU A 178 9.785 -6.590 -13.103 1.00 11.07 C ATOM 1519 O GLU A 178 10.214 -7.494 -12.456 1.00 10.75 O ATOM 1520 CB GLU A 178 9.389 -7.588 -15.358 1.00 14.26 C ATOM 1521 CG GLU A 178 8.582 -8.325 -16.443 1.00 28.86 C ATOM 1522 CD GLU A 178 9.531 -9.004 -17.576 1.00 33.48 C ATOM 1523 OE1 GLU A 178 10.738 -8.461 -17.725 1.00 36.65 O ATOM 1524 OE2 GLU A 178 9.210 -9.881 -18.157 1.00 67.35 O ATOM 1525 H GLU A 178 8.135 -5.446 -15.641 1.00 0.00 H ATOM 1526 N ARG A 179 10.211 -5.321 -13.017 1.00 10.17 N ATOM 1527 CA ARG A 179 11.216 -4.920 -12.016 1.00 9.22 C ATOM 1528 C ARG A 179 10.610 -4.535 -10.664 1.00 9.80 C ATOM 1529 O ARG A 179 11.376 -4.193 -9.738 1.00 10.12 O ATOM 1530 CB ARG A 179 11.980 -3.671 -12.609 1.00 9.90 C ATOM 1531 CG ARG A 179 12.351 -3.846 -14.122 1.00 11.90 C ATOM 1532 CD ARG A 179 13.412 -2.854 -14.566 1.00 10.40 C ATOM 1533 NE ARG A 179 14.706 -3.281 -14.181 1.00 11.38 N ATOM 1534 CZ ARG A 179 15.798 -2.649 -14.559 1.00 12.74 C ATOM 1535 NH1 ARG A 179 15.751 -1.588 -15.337 1.00 15.25 N ATOM 1536 NH2 ARG A 179 17.011 -3.063 -14.165 1.00 14.53 N ATOM 1537 HE ARG A 179 14.797 -4.124 -13.578 1.00 0.00 H ATOM 1538 HH12 ARG A 179 16.631 -1.110 -15.619 1.00 0.00 H ATOM 1539 HH11 ARG A 179 14.834 -1.228 -15.670 1.00 0.00 H ATOM 1540 HH22 ARG A 179 17.861 -2.550 -14.474 1.00 0.00 H ATOM 1541 HH21 ARG A 179 17.102 -3.897 -13.550 1.00 0.00 H ATOM 1542 H ARG A 179 9.825 -4.607 -13.668 1.00 0.00 H ATOM 1543 N LEU A 180 9.304 -4.632 -10.533 1.00 8.15 N ATOM 1544 CA LEU A 180 8.588 -4.301 -9.309 1.00 7.73 C ATOM 1545 C LEU A 180 7.813 -5.546 -8.859 1.00 8.08 C ATOM 1546 O LEU A 180 7.403 -6.382 -9.703 1.00 9.23 O ATOM 1547 CB LEU A 180 7.583 -3.166 -9.556 1.00 7.81 C ATOM 1548 CG LEU A 180 8.207 -1.842 -9.981 1.00 8.69 C ATOM 1549 CD1 LEU A 180 7.174 -0.803 -10.346 1.00 10.78 C ATOM 1550 CD2 LEU A 180 9.048 -1.264 -8.866 1.00 9.91 C ATOM 1551 H LEU A 180 8.752 -4.964 -11.350 1.00 0.00 H ATOM 1552 N MET A 181 7.533 -5.545 -7.556 1.00 8.54 N ATOM 1553 CA MET A 181 6.650 -6.600 -6.994 1.00 8.66 C ATOM 1554 C MET A 181 5.713 -5.913 -5.985 1.00 10.15 C ATOM 1555 O MET A 181 5.930 -4.771 -5.587 1.00 9.78 O ATOM 1556 CB MET A 181 7.447 -7.737 -6.256 1.00 9.71 C ATOM 1557 CG MET A 181 8.251 -7.202 -5.090 1.00 9.83 C ATOM 1558 SD MET A 181 9.340 -8.436 -4.364 1.00 12.56 S ATOM 1559 CE MET A 181 8.143 -9.598 -3.680 1.00 12.13 C ATOM 1560 H MET A 181 7.930 -4.810 -6.936 1.00 0.00 H ATOM 1561 N CYS A 182 4.624 -6.629 -5.697 1.00 9.50 N ATOM 1562 CA CYS A 182 3.618 -6.090 -4.765 1.00 9.34 C ATOM 1563 C CYS A 182 3.460 -7.027 -3.545 1.00 8.28 C ATOM 1564 O CYS A 182 3.742 -8.208 -3.582 1.00 8.87 O ATOM 1565 CB CYS A 182 2.246 -5.941 -5.409 1.00 9.61 C ATOM 1566 SG CYS A 182 2.335 -4.876 -6.865 1.00 11.20 S ATOM 1567 H CYS A 182 4.486 -7.565 -6.129 1.00 0.00 H ATOM 1568 N ALA A 183 2.910 -6.418 -2.502 1.00 7.99 N ATOM 1569 CA ALA A 183 2.448 -7.205 -1.334 1.00 8.94 C ATOM 1570 C ALA A 183 1.097 -6.640 -0.953 1.00 9.11 C ATOM 1571 O ALA A 183 0.812 -5.470 -1.206 1.00 10.56 O ATOM 1572 CB ALA A 183 3.473 -7.137 -0.181 1.00 9.93 C ATOM 1573 H ALA A 183 2.803 -5.384 -2.504 1.00 0.00 H ATOM 1574 N GLU A 184 0.325 -7.464 -0.237 1.00 10.01 N ATOM 1575 CA GLU A 184 -0.968 -7.020 0.184 1.00 10.83 C ATOM 1576 C GLU A 184 -0.839 -5.810 1.142 1.00 11.22 C ATOM 1577 O GLU A 184 0.152 -5.633 1.841 1.00 12.38 O ATOM 1578 CB GLU A 184 -1.672 -8.199 0.889 1.00 15.46 C ATOM 1579 CG GLU A 184 -2.194 -9.362 -0.079 1.00 20.46 C ATOM 1580 CD GLU A 184 -3.216 -10.308 0.616 1.00 25.15 C ATOM 1581 OE1 GLU A 184 -4.009 -9.817 1.026 1.00 49.94 O ATOM 1582 OE2 GLU A 184 -2.969 -11.476 0.729 1.00 37.99 O ATOM 1583 H GLU A 184 0.661 -8.417 0.011 1.00 0.00 H ATOM 1584 N SER A 185 -1.859 -4.953 1.100 1.00 10.21 N ATOM 1585 CA SER A 185 -1.895 -3.707 1.862 1.00 12.54 C ATOM 1586 C SER A 185 -3.230 -3.553 2.594 1.00 13.16 C ATOM 1587 O SER A 185 -3.740 -2.465 2.585 1.00 16.73 O ATOM 1588 CB SER A 185 -1.676 -2.526 0.931 1.00 12.59 C ATOM 1589 OG SER A 185 -2.601 -2.679 -0.122 1.00 14.69 O ATOM 1590 HG SER A 185 -3.520 -2.678 0.245 1.00 0.00 H ATOM 1591 H SER A 185 -2.672 -5.183 0.493 1.00 0.00 H ATOM 1592 N ASN A 186 -3.842 -4.655 3.042 1.00 13.61 N ATOM 1593 CA ASN A 186 -5.165 -4.519 3.624 1.00 16.03 C ATOM 1594 C ASN A 186 -5.015 -4.179 5.071 1.00 15.72 C ATOM 1595 O ASN A 186 -4.870 -5.079 5.862 1.00 18.63 O ATOM 1596 CB ASN A 186 -5.917 -5.827 3.369 1.00 18.78 C ATOM 1597 CG ASN A 186 -7.256 -5.892 3.933 1.00 19.96 C ATOM 1598 OD1 ASN A 186 -7.796 -6.996 4.028 1.00 31.21 O ATOM 1599 ND2 ASN A 186 -7.834 -4.805 4.142 1.00 17.18 N ATOM 1600 HD22 ASN A 186 -7.312 -3.911 4.042 1.00 0.00 H ATOM 1601 HD21 ASN A 186 -8.837 -4.794 4.416 1.00 0.00 H ATOM 1602 H ASN A 186 -3.382 -5.585 2.975 1.00 0.00 H ATOM 1603 N ARG A 187 -5.009 -2.863 5.343 1.00 16.60 N ATOM 1604 CA ARG A 187 -4.924 -2.290 6.685 1.00 18.74 C ATOM 1605 C ARG A 187 -3.472 -2.459 7.197 1.00 22.67 C ATOM 1606 O ARG A 187 -2.881 -1.444 7.693 1.00 28.40 O ATOM 1607 CB ARG A 187 -5.969 -3.027 7.620 1.00 22.53 C ATOM 1608 H ARG A 187 -5.069 -2.204 4.540 1.00 0.00 H ATOM 1609 N ARG A 188 -2.883 -3.667 7.127 1.00 21.70 N ATOM 1610 CA ARG A 188 -1.423 -3.802 7.444 1.00 16.22 C ATOM 1611 C ARG A 188 -0.633 -3.326 6.179 1.00 13.64 C ATOM 1612 O ARG A 188 -0.861 -3.791 5.059 1.00 16.29 O ATOM 1613 CB ARG A 188 -1.073 -5.288 7.740 1.00 19.28 C ATOM 1614 CG ARG A 188 -1.864 -5.944 8.918 1.00 26.38 C ATOM 1615 CD ARG A 188 -1.668 -7.445 8.923 1.00 31.51 C ATOM 1616 NE ARG A 188 -2.777 -8.121 9.618 1.00 53.62 N ATOM 1617 CZ ARG A 188 -2.645 -8.965 10.670 1.00 47.28 C ATOM 1618 NH1 ARG A 188 -1.426 -9.235 11.204 1.00 90.41 N ATOM 1619 NH2 ARG A 188 -3.532 -9.463 11.153 1.00 60.26 N ATOM 1620 HE ARG A 188 -3.740 -7.935 9.273 1.00 0.00 H ATOM 1621 HH12 ARG A 188 -1.344 -9.885 12.011 1.00 0.00 H ATOM 1622 HH11 ARG A 188 -0.574 -8.791 10.806 1.00 0.00 H ATOM 1623 HH22 ARG A 188 -3.393 -10.105 11.959 1.00 0.00 H ATOM 1624 HH21 ARG A 188 -4.491 -9.281 10.793 1.00 0.00 H ATOM 1625 H ARG A 188 -3.438 -4.503 6.854 1.00 0.00 H ATOM 1626 N ASP A 189 0.401 -2.505 6.374 1.00 12.25 N ATOM 1627 CA ASP A 189 1.119 -1.897 5.217 1.00 11.71 C ATOM 1628 C ASP A 189 2.389 -1.072 5.653 1.00 10.66 C ATOM 1629 O ASP A 189 2.491 -0.700 6.855 1.00 12.02 O ATOM 1630 CB ASP A 189 0.181 -0.979 4.438 1.00 11.53 C ATOM 1631 CG ASP A 189 0.574 -0.712 2.970 1.00 12.19 C ATOM 1632 OD1 ASP A 189 1.571 -1.276 2.486 1.00 11.73 O ATOM 1633 OD2 ASP A 189 -0.109 0.172 2.375 1.00 12.28 O ATOM 1634 H ASP A 189 0.709 -2.287 7.343 1.00 0.00 H ATOM 1635 N SER A 190 3.269 -0.951 4.736 1.00 10.88 N ATOM 1636 CA SER A 190 4.301 0.082 4.848 1.00 10.85 C ATOM 1637 C SER A 190 3.690 1.430 4.669 1.00 11.34 C ATOM 1638 O SER A 190 2.708 1.550 3.945 1.00 13.64 O ATOM 1639 CB SER A 190 5.435 -0.141 3.853 1.00 13.84 C ATOM 1640 OG SER A 190 4.897 -0.241 2.519 1.00 16.30 O ATOM 1641 HG SER A 190 4.421 0.597 2.293 1.00 0.00 H ATOM 1642 H SER A 190 3.253 -1.585 3.911 1.00 0.00 H ATOM 1643 N CYS A 191 4.294 2.496 5.244 1.00 11.36 N ATOM 1644 CA CYS A 191 3.789 3.821 5.140 1.00 11.25 C ATOM 1645 C CYS A 191 4.890 4.840 5.222 1.00 9.56 C ATOM 1646 O CYS A 191 6.079 4.564 5.115 1.00 10.31 O ATOM 1647 CB CYS A 191 2.692 4.005 6.160 1.00 14.00 C ATOM 1648 SG CYS A 191 1.532 5.430 5.861 1.00 14.32 S ATOM 1649 H CYS A 191 5.167 2.339 5.787 1.00 0.00 H ATOM 1650 N LYS A 192 4.453 6.124 5.328 1.00 11.55 N ATOM 1651 CA LYS A 192 5.362 7.207 5.234 1.00 11.42 C ATOM 1652 C LYS A 192 6.442 7.038 6.321 1.00 9.03 C ATOM 1653 O LYS A 192 6.162 6.756 7.511 1.00 10.58 O ATOM 1654 CB LYS A 192 4.588 8.486 5.573 1.00 10.80 C ATOM 1655 CG LYS A 192 5.425 9.752 5.491 1.00 12.08 C ATOM 1656 CD LYS A 192 4.649 10.967 5.769 1.00 13.34 C ATOM 1657 CE LYS A 192 5.368 12.332 5.548 1.00 15.35 C ATOM 1658 NZ LYS A 192 6.441 12.556 6.412 1.00 14.74 N ATOM 1659 HZ1 LYS A 192 6.102 12.543 7.395 1.00 0.00 H ATOM 1660 HZ2 LYS A 192 7.153 11.809 6.280 1.00 0.00 H ATOM 1661 HZ3 LYS A 192 6.866 13.482 6.203 1.00 0.00 H ATOM 1662 H LYS A 192 3.442 6.313 5.480 1.00 0.00 H ATOM 1663 N GLY A 193 7.689 7.191 5.957 1.00 8.81 N ATOM 1664 CA GLY A 193 8.864 6.873 6.768 1.00 8.45 C ATOM 1665 C GLY A 193 9.431 5.499 6.661 1.00 7.72 C ATOM 1666 O GLY A 193 10.519 5.221 7.222 1.00 7.64 O ATOM 1667 H GLY A 193 7.861 7.573 5.005 1.00 0.00 H ATOM 1668 N ASP A 194 8.741 4.593 5.972 1.00 8.86 N ATOM 1669 CA ASP A 194 9.156 3.249 5.727 1.00 7.42 C ATOM 1670 C ASP A 194 9.813 3.032 4.365 1.00 8.81 C ATOM 1671 O ASP A 194 10.472 2.020 4.158 1.00 8.75 O ATOM 1672 CB ASP A 194 7.966 2.288 5.866 1.00 9.37 C ATOM 1673 CG ASP A 194 7.458 2.234 7.256 1.00 8.76 C ATOM 1674 OD1 ASP A 194 8.218 2.266 8.224 1.00 9.93 O ATOM 1675 OD2 ASP A 194 6.218 2.084 7.354 1.00 9.44 O ATOM 1676 H ASP A 194 7.824 4.888 5.580 1.00 0.00 H ATOM 1677 N SER A 195 9.691 3.987 3.448 1.00 9.12 N ATOM 1678 CA SER A 195 10.259 3.769 2.133 1.00 11.05 C ATOM 1679 C SER A 195 11.791 3.551 2.258 1.00 9.76 C ATOM 1680 O SER A 195 12.470 4.091 3.190 1.00 10.40 O ATOM 1681 CB SER A 195 9.414 4.715 1.054 1.00 23.52 C ATOM 1682 OG SER A 195 10.370 5.499 0.889 1.00 23.29 O ATOM 1683 HG SER A 195 10.610 5.912 1.756 1.00 0.00 H ATOM 1684 H SER A 195 9.197 4.875 3.671 1.00 0.00 H ATOM 1685 N GLY A 196 12.412 2.774 1.351 1.00 8.94 N ATOM 1686 CA GLY A 196 13.776 2.461 1.452 1.00 9.59 C ATOM 1687 C GLY A 196 14.146 1.250 2.248 1.00 8.98 C ATOM 1688 O GLY A 196 15.274 0.739 2.191 1.00 9.98 O ATOM 1689 H GLY A 196 11.865 2.395 0.552 1.00 0.00 H ATOM 1690 N GLY A 197 13.160 0.840 3.102 1.00 8.94 N ATOM 1691 CA GLY A 197 13.416 -0.285 3.878 1.00 8.39 C ATOM 1692 C GLY A 197 13.250 -1.637 3.162 1.00 8.19 C ATOM 1693 O GLY A 197 12.836 -1.708 2.034 1.00 8.75 O ATOM 1694 H GLY A 197 12.255 1.349 3.168 1.00 0.00 H ATOM 1695 N PRO A 198 13.579 -2.691 3.855 1.00 8.51 N ATOM 1696 CA PRO A 198 13.697 -4.005 3.232 1.00 10.45 C ATOM 1697 C PRO A 198 12.350 -4.768 3.293 1.00 9.26 C ATOM 1698 O PRO A 198 11.599 -4.700 4.229 1.00 13.12 O ATOM 1699 CB PRO A 198 14.757 -4.702 4.147 1.00 15.04 C ATOM 1700 CG PRO A 198 14.459 -4.097 5.530 1.00 14.62 C ATOM 1701 CD PRO A 198 14.007 -2.644 5.282 1.00 11.41 C ATOM 1702 N LEU A 199 12.123 -5.499 2.196 1.00 8.11 N ATOM 1703 CA LEU A 199 11.111 -6.578 2.109 1.00 8.25 C ATOM 1704 C LEU A 199 11.924 -7.858 2.068 1.00 7.15 C ATOM 1705 O LEU A 199 12.619 -8.133 1.049 1.00 8.38 O ATOM 1706 CB LEU A 199 10.223 -6.476 0.916 1.00 8.80 C ATOM 1707 CG LEU A 199 9.131 -7.489 0.764 1.00 11.12 C ATOM 1708 CD1 LEU A 199 8.079 -7.294 1.772 1.00 14.05 C ATOM 1709 CD2 LEU A 199 8.633 -7.465 -0.625 1.00 18.40 C ATOM 1710 H LEU A 199 12.693 -5.297 1.350 1.00 0.00 H ATOM 1711 N VAL A 200 11.845 -8.660 3.128 1.00 7.76 N ATOM 1712 CA VAL A 200 12.742 -9.827 3.318 1.00 8.91 C ATOM 1713 C VAL A 200 11.833 -11.059 3.183 1.00 9.40 C ATOM 1714 O VAL A 200 10.815 -11.184 3.859 1.00 10.72 O ATOM 1715 CB VAL A 200 13.379 -9.762 4.680 1.00 10.75 C ATOM 1716 CG1 VAL A 200 14.369 -10.898 4.841 1.00 13.25 C ATOM 1717 CG2 VAL A 200 14.088 -8.452 4.831 1.00 10.65 C ATOM 1718 H VAL A 200 11.126 -8.461 3.852 1.00 0.00 H ATOM 1719 N CYS A 201 12.206 -11.968 2.270 1.00 9.46 N ATOM 1720 CA CYS A 201 11.387 -13.165 2.005 1.00 10.72 C ATOM 1721 C CYS A 201 12.384 -14.356 2.073 1.00 13.45 C ATOM 1722 O CYS A 201 13.432 -14.344 1.500 1.00 13.50 O ATOM 1723 CB CYS A 201 10.741 -13.105 0.602 1.00 13.54 C ATOM 1724 SG CYS A 201 9.903 -11.590 0.170 1.00 13.04 S ATOM 1725 H CYS A 201 13.089 -11.826 1.739 1.00 0.00 H ATOM 1726 N GLY A 202 11.959 -15.376 2.792 1.00 15.97 N ATOM 1727 CA GLY A 202 12.836 -16.580 2.926 1.00 20.99 C ATOM 1728 C GLY A 202 14.215 -16.225 3.427 1.00 19.11 C ATOM 1729 O GLY A 202 15.228 -16.820 3.047 1.00 22.37 O ATOM 1730 H GLY A 202 11.030 -15.344 3.258 1.00 0.00 H ATOM 1731 N GLY A 207 14.341 -15.084 4.396 1.00 19.04 N ATOM 1732 CA GLY A 207 15.623 -14.662 4.932 1.00 19.10 C ATOM 1733 C GLY A 207 16.567 -13.896 3.999 1.00 14.85 C ATOM 1734 O GLY A 207 17.686 -13.620 4.310 1.00 19.14 O ATOM 1735 H GLY A 207 13.481 -14.579 4.693 1.00 0.00 H ATOM 1736 N VAL A 208 16.107 -13.585 2.810 1.00 12.28 N ATOM 1737 CA VAL A 208 16.918 -12.864 1.835 1.00 10.31 C ATOM 1738 C VAL A 208 16.187 -11.590 1.428 1.00 10.27 C ATOM 1739 O VAL A 208 14.962 -11.555 1.312 1.00 9.81 O ATOM 1740 CB VAL A 208 17.088 -13.828 0.638 1.00 11.00 C ATOM 1741 CG1 VAL A 208 17.514 -13.119 -0.640 1.00 11.84 C ATOM 1742 CG2 VAL A 208 17.976 -14.987 1.063 1.00 10.36 C ATOM 1743 H VAL A 208 15.137 -13.860 2.556 1.00 0.00 H ATOM 1744 N LEU A 209 16.949 -10.529 1.155 1.00 8.81 N ATOM 1745 CA LEU A 209 16.358 -9.264 0.688 1.00 7.53 C ATOM 1746 C LEU A 209 15.823 -9.470 -0.726 1.00 7.54 C ATOM 1747 O LEU A 209 16.546 -9.849 -1.640 1.00 8.40 O ATOM 1748 CB LEU A 209 17.451 -8.163 0.609 1.00 8.81 C ATOM 1749 CG LEU A 209 16.893 -6.758 0.211 1.00 9.70 C ATOM 1750 CD1 LEU A 209 15.891 -6.259 1.222 1.00 9.76 C ATOM 1751 CD2 LEU A 209 18.067 -5.864 -0.053 1.00 9.09 C ATOM 1752 H LEU A 209 17.980 -10.597 1.274 1.00 0.00 H ATOM 1753 N GLU A 210 14.502 -9.257 -0.892 1.00 7.27 N ATOM 1754 CA GLU A 210 13.861 -9.320 -2.208 1.00 7.74 C ATOM 1755 C GLU A 210 13.495 -7.996 -2.755 1.00 7.19 C ATOM 1756 O GLU A 210 13.498 -7.805 -3.972 1.00 9.28 O ATOM 1757 CB GLU A 210 12.603 -10.226 -2.115 1.00 10.07 C ATOM 1758 CG GLU A 210 12.983 -11.694 -2.090 1.00 12.34 C ATOM 1759 CD GLU A 210 13.393 -12.271 -3.462 1.00 13.35 C ATOM 1760 OE1 GLU A 210 13.229 -11.708 -4.595 1.00 22.49 O ATOM 1761 OE2 GLU A 210 13.760 -13.438 -3.358 1.00 18.61 O ATOM 1762 H GLU A 210 13.919 -9.041 -0.058 1.00 0.00 H ATOM 1763 N GLY A 211 13.012 -7.123 -1.919 1.00 8.27 N ATOM 1764 CA GLY A 211 12.534 -5.870 -2.383 1.00 8.57 C ATOM 1765 C GLY A 211 12.904 -4.704 -1.512 1.00 8.18 C ATOM 1766 O GLY A 211 13.311 -4.854 -0.332 1.00 8.79 O ATOM 1767 H GLY A 211 12.976 -7.345 -0.904 1.00 0.00 H ATOM 1768 N VAL A 212 12.774 -3.492 -2.038 1.00 6.93 N ATOM 1769 CA VAL A 212 12.960 -2.256 -1.274 1.00 7.45 C ATOM 1770 C VAL A 212 11.610 -1.483 -1.317 1.00 6.81 C ATOM 1771 O VAL A 212 11.094 -1.246 -2.399 1.00 7.82 O ATOM 1772 CB VAL A 212 14.141 -1.443 -1.848 1.00 7.94 C ATOM 1773 CG1 VAL A 212 14.229 -0.138 -1.143 1.00 9.26 C ATOM 1774 CG2 VAL A 212 15.441 -2.177 -1.753 1.00 9.34 C ATOM 1775 H VAL A 212 12.527 -3.416 -3.045 1.00 0.00 H ATOM 1776 N VAL A 213 11.135 -1.044 -0.158 1.00 7.98 N ATOM 1777 CA VAL A 213 9.864 -0.302 -0.149 1.00 7.74 C ATOM 1778 C VAL A 213 9.976 0.904 -1.056 1.00 8.03 C ATOM 1779 O VAL A 213 10.981 1.681 -0.960 1.00 8.77 O ATOM 1780 CB VAL A 213 9.551 0.151 1.252 1.00 10.23 C ATOM 1781 CG1 VAL A 213 8.265 0.962 1.363 1.00 11.77 C ATOM 1782 CG2 VAL A 213 9.507 -1.006 2.291 1.00 11.28 C ATOM 1783 H VAL A 213 11.651 -1.221 0.727 1.00 0.00 H ATOM 1784 N THR A 214 8.982 1.174 -1.920 1.00 9.36 N ATOM 1785 CA THR A 214 8.892 2.396 -2.571 1.00 12.24 C ATOM 1786 C THR A 214 7.550 3.108 -2.183 1.00 10.43 C ATOM 1787 O THR A 214 6.551 2.494 -1.901 1.00 11.46 O ATOM 1788 CB THR A 214 9.071 2.270 -4.093 1.00 13.43 C ATOM 1789 OG1 THR A 214 9.159 3.581 -4.671 1.00 15.13 O ATOM 1790 CG2 THR A 214 7.897 1.534 -4.732 1.00 15.71 C ATOM 1791 HG1 THR A 214 9.935 4.060 -4.284 1.00 0.00 H ATOM 1792 H THR A 214 8.261 0.448 -2.105 1.00 0.00 H ATOM 1793 N SER A 215 7.580 4.419 -2.208 1.00 13.14 N ATOM 1794 CA SER A 215 6.402 5.340 -1.983 1.00 14.71 C ATOM 1795 C SER A 215 5.782 5.715 -3.201 1.00 14.59 C ATOM 1796 O SER A 215 4.927 6.635 -3.172 1.00 16.35 O ATOM 1797 CB SER A 215 6.854 6.590 -1.301 1.00 18.86 C ATOM 1798 OG SER A 215 7.914 7.245 -2.010 1.00 18.67 O ATOM 1799 HG SER A 215 8.690 6.635 -2.078 1.00 0.00 H ATOM 1800 H SER A 215 8.499 4.866 -2.400 1.00 0.00 H ATOM 1801 N GLY A 216 6.158 5.103 -4.310 1.00 15.13 N ATOM 1802 CA GLY A 216 5.594 5.549 -5.615 1.00 18.40 C ATOM 1803 C GLY A 216 4.095 5.712 -5.594 1.00 16.61 C ATOM 1804 O GLY A 216 3.580 6.675 -6.264 1.00 21.71 O ATOM 1805 H GLY A 216 6.840 4.319 -4.272 1.00 0.00 H ATOM 1806 N SER A 217 3.414 4.782 -4.969 1.00 14.73 N ATOM 1807 CA SER A 217 2.004 4.955 -4.715 1.00 16.59 C ATOM 1808 C SER A 217 1.931 5.250 -3.181 1.00 13.90 C ATOM 1809 O SER A 217 2.285 4.422 -2.261 1.00 16.48 O ATOM 1810 CB SER A 217 1.236 3.733 -5.091 1.00 17.88 C ATOM 1811 OG SER A 217 -0.148 3.782 -4.528 1.00 21.07 O ATOM 1812 HG SER A 217 -0.100 3.838 -3.541 1.00 0.00 H ATOM 1813 H SER A 217 3.893 3.914 -4.654 1.00 0.00 H ATOM 1814 N ARG A 218 1.501 6.463 -2.849 1.00 15.38 N ATOM 1815 CA ARG A 218 1.704 6.999 -1.503 1.00 13.74 C ATOM 1816 C ARG A 218 0.646 6.497 -0.498 1.00 11.84 C ATOM 1817 O ARG A 218 0.913 6.561 0.724 1.00 13.28 O ATOM 1818 CB ARG A 218 1.606 8.575 -1.493 1.00 17.53 C ATOM 1819 CG ARG A 218 2.790 9.260 -2.336 1.00 27.94 C ATOM 1820 CD ARG A 218 3.244 10.540 -1.726 1.00 35.17 C ATOM 1821 NE ARG A 218 4.672 10.712 -1.760 1.00 37.57 N ATOM 1822 CZ ARG A 218 5.313 11.692 -2.354 1.00 46.67 C ATOM 1823 NH1 ARG A 218 4.689 12.663 -3.074 1.00 52.85 N ATOM 1824 NH2 ARG A 218 6.623 11.694 -2.253 1.00 50.64 N ATOM 1825 HE ARG A 218 5.247 9.997 -1.271 1.00 0.00 H ATOM 1826 HH12 ARG A 218 5.247 13.417 -3.524 1.00 0.00 H ATOM 1827 HH11 ARG A 218 3.654 12.652 -3.175 1.00 0.00 H ATOM 1828 HH22 ARG A 218 7.178 12.448 -2.705 1.00 0.00 H ATOM 1829 HH21 ARG A 218 7.105 10.941 -1.721 1.00 0.00 H ATOM 1830 H ARG A 218 1.011 7.042 -3.560 1.00 0.00 H ATOM 1831 N VAL A 219 -0.583 6.061 -0.895 1.00 11.21 N ATOM 1832 CA VAL A 219 -1.579 5.667 0.098 1.00 12.72 C ATOM 1833 C VAL A 219 -1.211 4.419 0.924 1.00 11.67 C ATOM 1834 O VAL A 219 -0.552 3.517 0.379 1.00 14.06 O ATOM 1835 CB VAL A 219 -3.006 5.475 -0.577 1.00 14.18 C ATOM 1836 CG1 VAL A 219 -2.998 4.322 -1.546 1.00 14.33 C ATOM 1837 CG2 VAL A 219 -4.071 5.274 0.468 1.00 13.52 C ATOM 1838 H VAL A 219 -0.812 6.009 -1.908 1.00 0.00 H ATOM 1839 N CYS A 220 -1.601 4.384 2.167 1.00 11.75 N ATOM 1840 CA CYS A 220 -1.216 3.368 3.118 1.00 12.75 C ATOM 1841 C CYS A 220 -2.478 2.649 3.631 1.00 13.16 C ATOM 1842 O CYS A 220 -3.479 3.285 4.012 1.00 16.26 O ATOM 1843 CB CYS A 220 -0.533 3.968 4.360 1.00 15.39 C ATOM 1844 SG CYS A 220 0.853 5.056 3.942 1.00 14.41 S ATOM 1845 H CYS A 220 -2.234 5.141 2.497 1.00 0.00 H ATOM 1846 N GLY A 221 -2.455 1.312 3.538 1.00 11.75 N ATOM 1847 CA GLY A 221 -3.443 0.449 4.103 1.00 12.37 C ATOM 1848 C GLY A 221 -4.723 0.221 3.294 1.00 11.64 C ATOM 1849 O GLY A 221 -5.672 -0.353 3.845 1.00 16.85 O ATOM 1850 H GLY A 221 -1.666 0.874 3.021 1.00 0.00 H ATOM 1851 N ASN A 222 -4.717 0.632 2.052 1.00 12.02 N ATOM 1852 CA ASN A 222 -5.915 0.512 1.089 1.00 15.36 C ATOM 1853 C ASN A 222 -5.539 -0.777 0.336 1.00 14.84 C ATOM 1854 O ASN A 222 -4.639 -0.795 -0.503 1.00 13.06 O ATOM 1855 CB ASN A 222 -5.896 1.736 0.113 1.00 16.13 C ATOM 1856 CG ASN A 222 -6.970 1.656 -0.940 1.00 16.55 C ATOM 1857 OD1 ASN A 222 -7.544 0.583 -1.078 1.00 22.13 O ATOM 1858 ND2 ASN A 222 -7.329 2.816 -1.543 1.00 27.15 N ATOM 1859 HD22 ASN A 222 -6.783 3.684 -1.368 1.00 0.00 H ATOM 1860 HD21 ASN A 222 -8.151 2.838 -2.180 1.00 0.00 H ATOM 1861 H ASN A 222 -3.846 1.069 1.690 1.00 0.00 H ATOM 1862 N ARG A 223 -6.356 -1.824 0.555 1.00 15.08 N ATOM 1863 CA ARG A 223 -6.164 -3.073 -0.226 1.00 14.99 C ATOM 1864 C ARG A 223 -6.164 -2.981 -1.724 1.00 13.15 C ATOM 1865 O ARG A 223 -5.532 -3.824 -2.404 1.00 15.26 O ATOM 1866 CB ARG A 223 -7.162 -4.166 0.282 1.00 17.99 C ATOM 1867 CG ARG A 223 -8.570 -3.908 -0.070 1.00 25.32 C ATOM 1868 CD ARG A 223 -9.475 -4.898 0.673 1.00 28.47 C ATOM 1869 NE ARG A 223 -10.828 -4.406 0.473 1.00 37.63 N ATOM 1870 CZ ARG A 223 -11.547 -4.623 -0.592 1.00 45.38 C ATOM 1871 NH1 ARG A 223 -11.098 -5.397 -1.563 1.00 54.61 N ATOM 1872 NH2 ARG A 223 -12.749 -4.100 -0.671 1.00 59.34 N ATOM 1873 HE ARG A 223 -11.253 -3.840 1.235 1.00 0.00 H ATOM 1874 HH12 ARG A 223 -11.681 -5.562 -2.408 1.00 0.00 H ATOM 1875 HH11 ARG A 223 -10.161 -5.841 -1.483 1.00 0.00 H ATOM 1876 HH22 ARG A 223 -13.334 -4.265 -1.515 1.00 0.00 H ATOM 1877 HH21 ARG A 223 -13.116 -3.521 0.111 1.00 0.00 H ATOM 1878 H ARG A 223 -7.114 -1.759 1.264 1.00 0.00 H ATOM 1879 N LYS A 223A -6.861 -1.981 -2.279 1.00 13.55 N ATOM 1880 CA LYS A 223A -6.841 -1.803 -3.749 1.00 14.46 C ATOM 1881 C LYS A 223A -5.687 -1.013 -4.254 1.00 12.13 C ATOM 1882 O LYS A 223A -5.534 -0.749 -5.410 1.00 13.95 O ATOM 1883 CB LYS A 223A -8.157 -1.149 -4.213 1.00 16.67 C ATOM 1884 CG LYS A 223A -9.434 -1.928 -3.895 1.00 22.56 C ATOM 1885 CD LYS A 223A -9.368 -3.352 -4.467 1.00 28.03 C ATOM 1886 CE LYS A 223A -10.766 -4.048 -4.451 1.00 38.83 C ATOM 1887 NZ LYS A 223A -11.027 -4.914 -5.667 1.00 49.01 N ATOM 1888 HZ1 LYS A 223A -10.981 -4.328 -6.525 1.00 0.00 H ATOM 1889 HZ2 LYS A 223A -10.307 -5.663 -5.719 1.00 0.00 H ATOM 1890 HZ3 LYS A 223A -11.971 -5.343 -5.589 1.00 0.00 H ATOM 1891 H LYS A 223A -7.413 -1.333 -1.681 1.00 0.00 H ATOM 1892 N LYS A 224 -4.764 -0.649 -3.350 1.00 11.72 N ATOM 1893 CA LYS A 224 -3.502 0.028 -3.769 1.00 11.82 C ATOM 1894 C LYS A 224 -2.340 -0.672 -3.020 1.00 12.33 C ATOM 1895 O LYS A 224 -1.825 -0.167 -2.052 1.00 13.15 O ATOM 1896 CB LYS A 224 -3.507 1.553 -3.580 1.00 13.24 C ATOM 1897 CG LYS A 224 -4.558 2.267 -4.373 1.00 12.97 C ATOM 1898 CD LYS A 224 -4.229 2.257 -5.903 1.00 16.05 C ATOM 1899 CE LYS A 224 -5.313 2.847 -6.810 1.00 18.23 C ATOM 1900 NZ LYS A 224 -6.425 1.951 -6.747 1.00 20.44 N ATOM 1901 HZ1 LYS A 224 -6.131 1.011 -7.081 1.00 0.00 H ATOM 1902 HZ2 LYS A 224 -6.758 1.882 -5.764 1.00 0.00 H ATOM 1903 HZ3 LYS A 224 -7.192 2.310 -7.350 1.00 0.00 H ATOM 1904 H LYS A 224 -4.931 -0.842 -2.342 1.00 0.00 H ATOM 1905 N PRO A 225 -2.038 -1.886 -3.444 1.00 9.61 N ATOM 1906 CA PRO A 225 -0.998 -2.729 -2.780 1.00 9.60 C ATOM 1907 C PRO A 225 0.319 -1.963 -2.642 1.00 8.85 C ATOM 1908 O PRO A 225 0.674 -1.158 -3.536 1.00 8.92 O ATOM 1909 CB PRO A 225 -0.859 -3.930 -3.795 1.00 10.18 C ATOM 1910 CG PRO A 225 -2.206 -4.050 -4.375 1.00 8.29 C ATOM 1911 CD PRO A 225 -2.593 -2.607 -4.609 1.00 9.15 C ATOM 1912 N GLY A 226 1.036 -2.434 -1.625 1.00 10.78 N ATOM 1913 CA GLY A 226 2.430 -2.057 -1.540 1.00 10.01 C ATOM 1914 C GLY A 226 3.224 -2.423 -2.762 1.00 8.30 C ATOM 1915 O GLY A 226 3.100 -3.523 -3.216 1.00 9.19 O ATOM 1916 H GLY A 226 0.606 -3.056 -0.911 1.00 0.00 H ATOM 1917 N ILE A 227 4.101 -1.460 -3.180 1.00 8.97 N ATOM 1918 CA ILE A 227 5.014 -1.643 -4.267 1.00 8.36 C ATOM 1919 C ILE A 227 6.426 -1.705 -3.719 1.00 8.50 C ATOM 1920 O ILE A 227 6.783 -0.859 -2.877 1.00 9.58 O ATOM 1921 CB ILE A 227 4.878 -0.534 -5.390 1.00 8.68 C ATOM 1922 CG1 ILE A 227 3.435 -0.533 -5.882 1.00 10.14 C ATOM 1923 CG2 ILE A 227 5.824 -0.881 -6.478 1.00 10.11 C ATOM 1924 CD1 ILE A 227 3.193 0.639 -6.876 1.00 12.57 C ATOM 1925 H ILE A 227 4.105 -0.547 -2.682 1.00 0.00 H ATOM 1926 N TYR A 228 7.206 -2.672 -4.214 1.00 7.58 N ATOM 1927 CA TYR A 228 8.563 -2.847 -3.756 1.00 7.15 C ATOM 1928 C TYR A 228 9.418 -3.073 -4.997 1.00 8.81 C ATOM 1929 O TYR A 228 9.088 -3.831 -5.933 1.00 10.56 O ATOM 1930 CB TYR A 228 8.640 -4.049 -2.810 1.00 8.21 C ATOM 1931 CG TYR A 228 7.699 -3.994 -1.651 1.00 8.62 C ATOM 1932 CD1 TYR A 228 6.340 -4.264 -1.813 1.00 9.21 C ATOM 1933 CD2 TYR A 228 8.093 -3.535 -0.394 1.00 9.02 C ATOM 1934 CE1 TYR A 228 5.459 -4.139 -0.751 1.00 9.89 C ATOM 1935 CE2 TYR A 228 7.208 -3.382 0.629 1.00 9.73 C ATOM 1936 CZ TYR A 228 5.857 -3.667 0.461 1.00 9.65 C ATOM 1937 OH TYR A 228 5.031 -3.436 1.559 1.00 13.31 O ATOM 1938 HH TYR A 228 4.099 -3.673 1.325 1.00 0.00 H ATOM 1939 H TYR A 228 6.827 -3.310 -4.943 1.00 0.00 H ATOM 1940 N THR A 229 10.622 -2.454 -4.956 1.00 7.06 N ATOM 1941 CA THR A 229 11.560 -2.551 -6.075 1.00 8.00 C ATOM 1942 C THR A 229 12.300 -3.868 -5.984 1.00 7.25 C ATOM 1943 O THR A 229 12.865 -4.082 -4.873 1.00 7.90 O ATOM 1944 CB THR A 229 12.517 -1.342 -6.110 1.00 7.64 C ATOM 1945 OG1 THR A 229 11.739 -0.135 -6.104 1.00 8.44 O ATOM 1946 CG2 THR A 229 13.388 -1.389 -7.347 1.00 8.33 C ATOM 1947 HG1 THR A 229 11.149 -0.120 -6.899 1.00 0.00 H ATOM 1948 H THR A 229 10.884 -1.901 -4.115 1.00 0.00 H ATOM 1949 N ARG A 230 12.390 -4.674 -7.024 1.00 6.95 N ATOM 1950 CA ARG A 230 12.972 -5.994 -6.959 1.00 7.90 C ATOM 1951 C ARG A 230 14.499 -5.807 -7.045 1.00 7.78 C ATOM 1952 O ARG A 230 14.994 -5.496 -8.110 1.00 9.01 O ATOM 1953 CB ARG A 230 12.429 -6.930 -8.037 1.00 7.67 C ATOM 1954 CG ARG A 230 10.941 -7.241 -7.871 1.00 8.92 C ATOM 1955 CD ARG A 230 10.387 -8.086 -9.012 1.00 9.64 C ATOM 1956 NE ARG A 230 11.144 -9.320 -9.048 1.00 10.14 N ATOM 1957 CZ ARG A 230 12.059 -9.669 -9.952 1.00 12.28 C ATOM 1958 NH1 ARG A 230 12.267 -8.970 -10.999 1.00 12.02 N ATOM 1959 NH2 ARG A 230 12.733 -10.793 -9.759 1.00 13.13 N ATOM 1960 HE ARG A 230 10.954 -10.005 -8.289 1.00 0.00 H ATOM 1961 HH12 ARG A 230 12.988 -9.267 -11.688 1.00 0.00 H ATOM 1962 HH11 ARG A 230 11.716 -8.104 -11.164 1.00 0.00 H ATOM 1963 HH22 ARG A 230 13.453 -11.092 -10.447 1.00 0.00 H ATOM 1964 HH21 ARG A 230 12.542 -11.376 -8.920 1.00 0.00 H ATOM 1965 H ARG A 230 12.023 -4.342 -7.938 1.00 0.00 H ATOM 1966 N VAL A 231 15.234 -6.144 -5.984 1.00 8.17 N ATOM 1967 CA VAL A 231 16.692 -6.018 -6.015 1.00 8.12 C ATOM 1968 C VAL A 231 17.291 -6.856 -7.112 1.00 8.52 C ATOM 1969 O VAL A 231 18.296 -6.454 -7.679 1.00 8.75 O ATOM 1970 CB VAL A 231 17.306 -6.185 -4.610 1.00 8.69 C ATOM 1971 CG1 VAL A 231 16.774 -5.115 -3.692 1.00 10.06 C ATOM 1972 CG2 VAL A 231 17.159 -7.540 -4.107 1.00 7.88 C ATOM 1973 H VAL A 231 14.766 -6.500 -5.126 1.00 0.00 H ATOM 1974 N ALA A 232 16.768 -8.046 -7.362 1.00 9.60 N ATOM 1975 CA ALA A 232 17.434 -8.915 -8.341 1.00 8.99 C ATOM 1976 C ALA A 232 17.471 -8.277 -9.689 1.00 10.58 C ATOM 1977 O ALA A 232 18.297 -8.533 -10.512 1.00 13.12 O ATOM 1978 CB ALA A 232 16.803 -10.281 -8.388 1.00 9.99 C ATOM 1979 H ALA A 232 15.904 -8.359 -6.875 1.00 0.00 H ATOM 1980 N SER A 233 16.433 -7.447 -9.977 1.00 8.77 N ATOM 1981 CA SER A 233 16.332 -6.744 -11.272 1.00 9.18 C ATOM 1982 C SER A 233 17.407 -5.720 -11.492 1.00 10.13 C ATOM 1983 O SER A 233 17.657 -5.318 -12.609 1.00 12.99 O ATOM 1984 CB SER A 233 14.909 -6.139 -11.390 1.00 11.68 C ATOM 1985 OG SER A 233 14.651 -5.763 -12.712 1.00 13.39 O ATOM 1986 HG SER A 233 14.715 -6.558 -13.298 1.00 0.00 H ATOM 1987 H SER A 233 15.689 -7.303 -9.265 1.00 0.00 H ATOM 1988 N TYR A 234 18.026 -5.303 -10.402 1.00 8.23 N ATOM 1989 CA TYR A 234 19.032 -4.246 -10.401 1.00 8.35 C ATOM 1990 C TYR A 234 20.386 -4.784 -9.909 1.00 9.02 C ATOM 1991 O TYR A 234 21.258 -3.998 -9.470 1.00 10.28 O ATOM 1992 CB TYR A 234 18.531 -3.081 -9.498 1.00 8.56 C ATOM 1993 CG TYR A 234 17.373 -2.364 -10.075 1.00 9.76 C ATOM 1994 CD1 TYR A 234 17.558 -1.362 -10.969 1.00 11.99 C ATOM 1995 CD2 TYR A 234 16.073 -2.779 -9.801 1.00 9.71 C ATOM 1996 CE1 TYR A 234 16.466 -0.760 -11.585 1.00 12.25 C ATOM 1997 CE2 TYR A 234 15.021 -2.175 -10.411 1.00 10.81 C ATOM 1998 CZ TYR A 234 15.210 -1.143 -11.278 1.00 11.96 C ATOM 1999 OH TYR A 234 14.133 -0.583 -11.938 1.00 12.09 O ATOM 2000 HH TYR A 234 14.451 0.149 -12.524 1.00 0.00 H ATOM 2001 H TYR A 234 17.783 -5.752 -9.496 1.00 0.00 H ATOM 2002 N ALA A 235 20.591 -6.127 -9.997 1.00 10.15 N ATOM 2003 CA ALA A 235 21.831 -6.792 -9.432 1.00 11.11 C ATOM 2004 C ALA A 235 23.071 -6.159 -9.974 1.00 12.56 C ATOM 2005 O ALA A 235 24.036 -5.907 -9.232 1.00 13.11 O ATOM 2006 CB ALA A 235 21.755 -8.277 -9.597 1.00 10.79 C ATOM 2007 H ALA A 235 19.874 -6.716 -10.467 1.00 0.00 H ATOM 2008 N ALA A 236 23.097 -5.982 -11.293 1.00 13.11 N ATOM 2009 CA ALA A 236 24.384 -5.569 -11.983 1.00 12.65 C ATOM 2010 C ALA A 236 24.606 -4.098 -11.533 1.00 11.99 C ATOM 2011 O ALA A 236 25.757 -3.709 -11.359 1.00 14.52 O ATOM 2012 CB ALA A 236 24.280 -5.686 -13.482 1.00 15.03 C ATOM 2013 H ALA A 236 22.232 -6.127 -11.853 1.00 0.00 H ATOM 2014 N TRP A 237 23.578 -3.263 -11.408 1.00 12.34 N ATOM 2015 CA TRP A 237 23.743 -1.889 -10.919 1.00 9.04 C ATOM 2016 C TRP A 237 24.275 -1.859 -9.445 1.00 10.96 C ATOM 2017 O TRP A 237 25.234 -1.107 -9.208 1.00 11.57 O ATOM 2018 CB TRP A 237 22.479 -1.030 -11.033 1.00 10.71 C ATOM 2019 CG TRP A 237 22.561 0.394 -10.513 1.00 10.44 C ATOM 2020 CD1 TRP A 237 23.259 1.435 -11.080 1.00 11.85 C ATOM 2021 CD2 TRP A 237 22.163 0.876 -9.207 1.00 10.25 C ATOM 2022 NE1 TRP A 237 23.232 2.575 -10.213 1.00 12.86 N ATOM 2023 CE2 TRP A 237 22.567 2.185 -9.074 1.00 10.63 C ATOM 2024 CE3 TRP A 237 21.420 0.287 -8.155 1.00 9.91 C ATOM 2025 CZ2 TRP A 237 22.254 2.948 -7.932 1.00 11.69 C ATOM 2026 CZ3 TRP A 237 21.149 1.073 -6.937 1.00 9.70 C ATOM 2027 CH2 TRP A 237 21.570 2.350 -6.890 1.00 10.31 C ATOM 2028 HE1 TRP A 237 23.636 3.514 -10.407 1.00 0.00 H ATOM 2029 H TRP A 237 22.626 -3.595 -11.665 1.00 0.00 H ATOM 2030 N ILE A 238 23.693 -2.657 -8.589 1.00 9.40 N ATOM 2031 CA ILE A 238 24.177 -2.741 -7.227 1.00 9.36 C ATOM 2032 C ILE A 238 25.651 -3.173 -7.206 1.00 10.70 C ATOM 2033 O ILE A 238 26.487 -2.561 -6.582 1.00 11.19 O ATOM 2034 CB ILE A 238 23.303 -3.644 -6.425 1.00 11.73 C ATOM 2035 CG1 ILE A 238 21.899 -3.066 -6.306 1.00 12.60 C ATOM 2036 CG2 ILE A 238 23.908 -3.864 -5.089 1.00 13.93 C ATOM 2037 CD1 ILE A 238 20.872 -4.060 -5.656 1.00 12.35 C ATOM 2038 H ILE A 238 22.880 -3.233 -8.887 1.00 0.00 H ATOM 2039 N ASP A 239 25.926 -4.235 -7.975 1.00 12.00 N ATOM 2040 CA ASP A 239 27.333 -4.717 -7.996 1.00 11.75 C ATOM 2041 C ASP A 239 28.202 -3.670 -8.468 1.00 11.41 C ATOM 2042 O ASP A 239 29.351 -3.610 -7.937 1.00 12.41 O ATOM 2043 CB ASP A 239 27.456 -5.935 -8.869 1.00 14.22 C ATOM 2044 CG ASP A 239 26.976 -7.200 -8.181 1.00 16.50 C ATOM 2045 OD1 ASP A 239 26.938 -7.339 -6.918 1.00 17.83 O ATOM 2046 OD2 ASP A 239 26.780 -8.172 -8.934 1.00 21.07 O ATOM 2047 H ASP A 239 25.185 -4.704 -8.535 1.00 0.00 H ATOM 2048 N SER A 240 27.862 -2.939 -9.502 1.00 12.40 N ATOM 2049 CA SER A 240 28.778 -1.918 -10.082 1.00 12.26 C ATOM 2050 C SER A 240 29.048 -0.878 -9.069 1.00 10.92 C ATOM 2051 O SER A 240 30.175 -0.436 -8.861 1.00 12.65 O ATOM 2052 CB SER A 240 28.151 -1.333 -11.386 1.00 12.88 C ATOM 2053 OG SER A 240 28.857 -0.219 -11.871 1.00 14.63 O ATOM 2054 HG SER A 240 29.790 -0.483 -12.073 1.00 0.00 H ATOM 2055 H SER A 240 26.924 -3.076 -9.930 1.00 0.00 H ATOM 2056 N VAL A 241 28.033 -0.364 -8.448 1.00 11.42 N ATOM 2057 CA VAL A 241 28.220 0.759 -7.494 1.00 11.74 C ATOM 2058 C VAL A 241 29.036 0.242 -6.259 1.00 12.62 C ATOM 2059 O VAL A 241 29.917 0.902 -5.808 1.00 16.16 O ATOM 2060 CB VAL A 241 26.842 1.363 -7.099 1.00 10.75 C ATOM 2061 CG1 VAL A 241 26.955 2.405 -5.951 1.00 11.09 C ATOM 2062 CG2 VAL A 241 26.191 2.070 -8.293 1.00 11.12 C ATOM 2063 H VAL A 241 27.079 -0.741 -8.619 1.00 0.00 H ATOM 2064 N LEU A 242 28.648 -0.915 -5.743 1.00 13.35 N ATOM 2065 CA LEU A 242 29.415 -1.485 -4.595 1.00 14.59 C ATOM 2066 C LEU A 242 30.859 -1.566 -4.780 1.00 16.56 C ATOM 2067 O LEU A 242 31.623 -1.327 -3.852 1.00 19.25 O ATOM 2068 CB LEU A 242 28.795 -2.864 -4.102 1.00 17.23 C ATOM 2069 CG LEU A 242 27.826 -2.911 -2.946 1.00 21.26 C ATOM 2070 CD1 LEU A 242 26.808 -1.821 -2.869 1.00 20.11 C ATOM 2071 CD2 LEU A 242 27.145 -4.247 -2.807 1.00 18.58 C ATOM 2072 H LEU A 242 27.824 -1.417 -6.130 1.00 0.00 H ATOM 2073 N ALA A 243 31.287 -1.967 -5.966 1.00 15.09 N ATOM 2074 CA ALA A 243 32.652 -2.172 -6.306 1.00 15.37 C ATOM 2075 C ALA A 243 33.276 -0.895 -6.810 1.00 17.94 C ATOM 2076 O ALA A 243 34.474 -0.917 -6.906 1.00 23.37 O ATOM 2077 CB ALA A 243 32.740 -3.247 -7.365 1.00 17.31 C ATOM 2078 H ALA A 243 30.574 -2.145 -6.702 1.00 0.00 H TER 2079 ALA A 243 HETATM 2080 O HOH 1 33.113 0.067 -2.965 1.00 34.18 O HETATM 2081 O HOH 2 10.192 13.427 -12.629 1.00 37.28 O HETATM 2082 O HOH 3 12.490 -7.721 -16.423 1.00 27.61 O HETATM 2083 O HOH 4 20.779 11.386 13.884 1.00 35.47 O HETATM 2084 O HOH 5 -9.369 -6.436 -2.867 1.00 36.76 O HETATM 2085 O HOH 6 24.941 -10.116 -8.454 1.00 25.14 O HETATM 2086 O HOH 7 5.012 2.797 19.243 1.00 30.41 O HETATM 2087 O HOH 8 -1.113 -10.922 12.998 1.00 55.38 O HETATM 2088 O HOH 9 2.295 6.786 -8.390 1.00 35.60 O HETATM 2089 O HOH 10 12.505 -6.923 7.643 1.00 23.12 O HETATM 2090 O HOH 11 8.764 4.853 -6.806 1.00 23.50 O HETATM 2091 O HOH 12 17.871 -9.553 -14.680 1.00 23.33 O HETATM 2092 O HOH 13 2.998 -0.859 15.593 1.00 21.24 O HETATM 2093 O HOH 14 8.407 11.045 4.740 1.00 22.22 O HETATM 2094 O HOH 15 7.837 2.501 19.297 1.00 16.01 O HETATM 2095 O HOH 16 31.309 2.782 -6.886 1.00 21.18 O HETATM 2096 O HOH 17 35.359 3.245 13.583 1.00 50.95 O HETATM 2097 O HOH 18 28.130 -0.558 13.562 1.00 13.38 O HETATM 2098 O HOH 19 0.469 0.379 -0.134 1.00 14.25 O HETATM 2099 O HOH 20 33.672 -4.027 8.861 1.00 32.25 O HETATM 2100 O HOH 21 22.608 16.274 1.510 1.00 25.06 O HETATM 2101 O HOH 22 6.859 0.703 21.887 1.00 24.09 O HETATM 2102 O HOH 23 13.730 10.360 -7.426 1.00 22.26 O HETATM 2103 O HOH 24 -4.076 -3.779 -16.366 1.00 43.91 O HETATM 2104 O HOH 25 13.404 -15.060 -1.338 1.00 23.08 O HETATM 2105 O HOH 26 36.575 -5.701 5.771 1.00 40.62 O HETATM 2106 O HOH 27 22.710 -3.953 21.198 1.00 35.00 O HETATM 2107 O HOH 28 19.625 -9.290 -12.667 1.00 25.88 O HETATM 2108 O HOH 29 -1.807 1.073 12.477 1.00 25.50 O HETATM 2109 O HOH 30 21.952 19.421 10.280 1.00 20.92 O HETATM 2110 O HOH 31 13.731 -7.966 -13.870 1.00 15.87 O HETATM 2111 O HOH 32 6.657 13.030 1.047 1.00 33.83 O HETATM 2112 O HOH 33 9.978 -0.324 -13.256 1.00 13.60 O HETATM 2113 O HOH 34 -3.958 -7.819 -14.589 1.00 18.34 O HETATM 2114 O HOH 35 10.217 5.910 -2.042 1.00 14.08 O HETATM 2115 O HOH 36 9.413 -15.795 3.720 1.00 24.43 O HETATM 2116 O HOH 37 11.647 -0.233 -11.032 1.00 12.77 O HETATM 2117 O HOH 38 -0.076 2.463 -2.203 1.00 19.76 O HETATM 2118 O HOH 39 4.202 -9.003 -7.317 1.00 13.74 O HETATM 2119 O HOH 40 22.638 13.564 13.641 1.00 28.19 O HETATM 2120 O HOH 41 -10.567 -6.101 -8.593 1.00 29.99 O HETATM 2121 O HOH 42 -1.092 -13.511 -5.502 1.00 14.90 O HETATM 2122 O HOH 43 27.656 -1.016 16.157 1.00 14.34 O HETATM 2123 O HOH 44 27.082 12.527 6.215 1.00 11.86 O HETATM 2124 O HOH 45 16.571 1.058 23.825 1.00 15.58 O HETATM 2125 O HOH 46 11.947 7.111 -9.812 1.00 13.81 O HETATM 2126 O HOH 47 21.295 13.288 9.955 1.00 14.66 O HETATM 2127 O HOH 48 -5.250 2.670 6.172 1.00 22.15 O HETATM 2128 O HOH 49 28.847 -7.364 -5.016 1.00 25.42 O HETATM 2129 O HOH 50 1.899 -0.593 13.332 1.00 20.97 O HETATM 2130 O HOH 51 12.392 1.281 -3.904 1.00 9.79 O HETATM 2131 O HOH 52 21.034 -9.473 17.261 1.00 23.83 O HETATM 2132 O HOH 53 15.691 -18.221 0.783 1.00 34.61 O HETATM 2133 O HOH 54 17.907 -12.387 14.249 1.00 32.93 O HETATM 2134 O HOH 55 14.422 8.824 24.892 1.00 22.63 O HETATM 2135 O HOH 56 20.254 9.611 15.368 1.00 22.66 O HETATM 2136 O HOH 57 17.685 -9.731 18.925 1.00 26.38 O HETATM 2137 O HOH 58 11.739 -5.107 21.178 1.00 15.61 O HETATM 2138 O HOH 59 16.474 10.512 -8.015 1.00 23.73 O HETATM 2139 O HOH 60 21.380 -2.406 12.106 1.00 16.37 O HETATM 2140 O HOH 61 28.932 8.129 -7.184 1.00 27.22 O HETATM 2141 O HOH 62 5.851 1.821 -13.945 1.00 20.09 O HETATM 2142 O HOH 63 33.119 9.823 9.532 1.00 27.07 O HETATM 2143 O HOH 64 19.839 -16.243 -4.184 1.00 17.60 O HETATM 2144 O HOH 65 12.008 8.948 19.261 1.00 21.97 O HETATM 2145 O HOH 66 17.936 8.555 15.968 1.00 15.57 O HETATM 2146 O HOH 67 26.599 -7.226 -1.221 1.00 22.47 O HETATM 2147 O HOH 68 10.597 10.584 11.455 1.00 14.96 O HETATM 2148 O HOH 69 9.760 7.347 13.998 1.00 10.34 O HETATM 2149 O HOH 70 37.117 5.179 5.623 1.00 23.24 O HETATM 2150 O HOH 71 31.939 0.925 16.242 1.00 33.15 O HETATM 2151 O HOH 72 6.687 1.915 11.933 1.00 9.33 O HETATM 2152 O HOH 73 9.774 10.264 6.946 1.00 16.62 O HETATM 2153 O HOH 74 2.246 -3.618 1.230 1.00 11.36 O HETATM 2154 O HOH 75 26.632 -8.228 -11.672 1.00 28.96 O HETATM 2155 O HOH 76 31.530 -3.739 7.474 1.00 37.59 O HETATM 2156 O HOH 77 11.342 1.312 -8.402 1.00 11.91 O HETATM 2157 O HOH 78 24.652 -8.783 1.518 1.00 15.71 O HETATM 2158 O HOH 79 4.426 2.479 -3.642 1.00 24.60 O HETATM 2159 O HOH 80 11.628 0.919 6.558 1.00 7.34 O HETATM 2160 O HOH 81 4.244 -5.562 -16.384 1.00 23.98 O HETATM 2161 O HOH 82 32.564 -0.804 -10.177 1.00 19.81 O HETATM 2162 O HOH 83 9.789 -15.127 -12.590 1.00 29.32 O HETATM 2163 O HOH 84 1.804 -17.168 3.324 1.00 19.55 O HETATM 2164 O HOH 85 12.130 6.989 -14.012 1.00 20.02 O HETATM 2165 O HOH 86 31.151 -1.405 -12.846 1.00 21.76 O HETATM 2166 O HOH 87 17.481 10.910 -5.282 1.00 25.19 O HETATM 2167 O HOH 88 -1.617 13.841 14.553 1.00 12.87 O HETATM 2168 O HOH 89 14.398 7.287 27.182 1.00 22.04 O HETATM 2169 O HOH 90 -1.136 3.416 -8.868 1.00 24.27 O HETATM 2170 O HOH 91 15.067 -15.805 -7.223 1.00 25.23 O HETATM 2171 O HOH 92 27.385 13.895 8.625 1.00 18.49 O HETATM 2172 O HOH 93 -2.540 1.175 0.422 1.00 13.42 O HETATM 2173 O HOH 94 16.831 10.014 -14.409 1.00 26.67 O HETATM 2174 O HOH 95 4.139 11.985 10.939 1.00 11.93 O HETATM 2175 O HOH 96 27.675 -4.296 -13.287 1.00 24.52 O HETATM 2176 O HOH 97 7.577 14.821 5.261 1.00 20.65 O HETATM 2177 O HOH 98 4.123 -13.903 -7.110 1.00 16.90 O HETATM 2178 O HOH 99 10.545 5.478 -15.711 1.00 22.43 O HETATM 2179 O HOH 100 12.993 7.663 -7.434 1.00 16.48 O HETATM 2180 O HOH 101 20.236 -3.984 15.638 1.00 11.58 O HETATM 2181 O HOH 102 0.955 -7.328 12.744 1.00 27.25 O HETATM 2182 O HOH 103 5.291 0.083 -0.702 1.00 19.23 O HETATM 2183 O HOH 104 14.451 -9.299 -6.144 1.00 10.80 O HETATM 2184 O HOH 105 9.878 -13.875 5.576 1.00 36.79 O HETATM 2185 O HOH 106 14.116 -6.335 14.673 1.00 12.29 O HETATM 2186 O HOH 107 2.191 1.130 -2.946 1.00 21.17 O HETATM 2187 O HOH 108 15.945 -3.225 16.349 1.00 10.24 O HETATM 2188 O HOH 109 17.194 -6.475 -15.142 1.00 22.37 O HETATM 2189 O HOH 110 -3.723 -5.585 -1.135 1.00 17.48 O HETATM 2190 O HOH 111 1.098 -2.150 17.350 1.00 32.67 O HETATM 2191 O HOH 112 -2.687 -6.139 12.276 1.00 33.41 O HETATM 2192 O HOH 113 28.293 -3.707 15.811 1.00 16.00 O HETATM 2193 O HOH 114 11.652 3.540 -16.944 1.00 30.08 O HETATM 2194 O HOH 115 7.683 -19.055 -0.707 1.00 21.18 O HETATM 2195 O HOH 116 18.594 -2.666 13.762 1.00 10.43 O HETATM 2196 O HOH 117 -8.156 -1.876 2.760 1.00 32.99 O HETATM 2197 O HOH 118 -5.038 4.564 12.102 1.00 23.04 O HETATM 2198 O HOH 119 23.949 4.305 21.260 1.00 24.25 O HETATM 2199 O HOH 120 11.913 3.026 8.397 1.00 7.58 O HETATM 2200 O HOH 121 12.115 -2.728 22.881 1.00 25.32 O HETATM 2201 O HOH 122 10.591 -9.329 15.714 1.00 17.01 O HETATM 2202 O HOH 123 21.406 -14.096 -4.370 1.00 17.59 O HETATM 2203 O HOH 124 21.322 -11.236 -11.715 1.00 29.73 O HETATM 2204 O HOH 125 8.901 8.350 10.961 1.00 19.74 O HETATM 2205 O HOH 126 19.550 0.653 12.862 1.00 7.99 O HETATM 2206 O HOH 127 33.531 -5.208 11.921 1.00 19.46 O HETATM 2207 O HOH 128 23.034 -11.491 13.921 1.00 31.56 O HETATM 2208 O HOH 129 -3.084 -8.909 3.582 1.00 50.57 O HETATM 2209 O HOH 130 18.549 11.032 21.523 1.00 21.97 O HETATM 2210 O HOH 131 26.784 7.125 17.140 1.00 23.86 O HETATM 2211 O HOH 132 12.087 -13.809 5.658 1.00 25.47 O HETATM 2212 O HOH 133 11.912 -11.456 -13.793 1.00 27.66 O HETATM 2213 O HOH 134 9.355 -18.228 -4.017 1.00 26.66 O HETATM 2214 O HOH 135 3.987 -11.916 -9.819 1.00 14.59 O HETATM 2215 O HOH 136 11.444 0.170 22.893 1.00 20.86 O HETATM 2216 O HOH 137 -1.741 -6.382 4.131 1.00 20.22 O HETATM 2217 O HOH 138 18.702 -14.676 -12.734 1.00 21.52 O HETATM 2218 O HOH 139 27.036 9.985 -6.526 1.00 31.02 O HETATM 2219 O HOH 140 27.675 12.558 1.122 1.00 29.73 O HETATM 2220 O HOH 141 26.999 12.354 -2.211 1.00 28.45 O HETATM 2221 O HOH 142 2.521 -9.250 10.980 1.00 19.85 O HETATM 2222 O HOH 143 26.317 -9.990 -0.991 1.00 28.95 O HETATM 2223 O HOH 144 19.426 9.978 -10.311 1.00 38.59 O HETATM 2224 O HOH 145 22.703 1.671 26.685 1.00 22.37 O HETATM 2225 O HOH 146 10.563 -10.547 -6.472 1.00 22.41 O HETATM 2226 O HOH 147 13.560 10.869 14.347 1.00 15.09 O HETATM 2227 O HOH 148 33.939 -1.067 1.387 1.00 27.44 O HETATM 2228 O HOH 149 36.639 1.713 6.459 1.00 32.85 O HETATM 2229 O HOH 150 -4.264 -8.171 7.102 1.00 39.29 O HETATM 2230 O HOH 151 19.864 -0.844 -13.558 1.00 16.60 O HETATM 2231 O HOH 152 26.601 -5.711 16.956 1.00 16.15 O HETATM 2232 O HOH 153 20.478 9.012 23.871 1.00 33.01 O HETATM 2233 O HOH 154 8.042 -4.994 -17.479 1.00 23.52 O HETATM 2234 O HOH 155 9.668 -10.406 -12.689 1.00 18.08 O HETATM 2235 O HOH 156 25.579 14.693 4.607 1.00 22.20 O HETATM 2236 O HOH 157 20.090 8.431 19.213 1.00 17.82 O HETATM 2237 O HOH 158 15.682 14.029 16.258 1.00 26.53 O HETATM 2238 O HOH 159 17.550 -2.052 22.550 1.00 18.08 O HETATM 2239 O HOH 160 8.305 -11.485 -7.276 1.00 18.15 O HETATM 2240 O HOH 161 16.611 -4.994 14.392 1.00 10.22 O HETATM 2241 O HOH 162 13.663 -0.740 -17.239 1.00 24.65 O HETATM 2242 O HOH 163 6.209 11.556 9.194 1.00 21.91 O HETATM 2243 O HOH 164 23.989 -11.329 -1.302 1.00 19.16 O HETATM 2244 O HOH 165 30.830 7.725 10.361 1.00 34.86 O HETATM 2245 O HOH 166 16.359 -17.733 -4.905 1.00 35.40 O HETATM 2246 O HOH 167 21.210 -7.273 -13.203 1.00 26.56 O HETATM 2247 O HOH 168 36.446 4.389 2.315 1.00 29.23 O HETATM 2248 O HOH 169 3.435 -7.610 13.204 1.00 21.61 O HETATM 2249 O HOH 170 30.496 -5.539 -5.940 1.00 18.86 O HETATM 2250 O HOH 171 5.553 -18.037 3.019 1.00 22.97 O HETATM 2251 O HOH 172 29.619 2.545 -10.945 1.00 19.13 O HETATM 2252 O HOH 173 13.063 -14.881 -5.913 1.00 24.45 O HETATM 2253 O HOH 174 30.954 -4.968 -10.120 1.00 24.36 O HETATM 2254 O HOH 175 -4.753 2.997 -10.598 1.00 37.47 O HETATM 2255 O HOH 176 0.826 -8.208 -15.049 1.00 12.91 O HETATM 2256 O HOH 177 23.522 12.374 -4.574 1.00 32.63 O HETATM 2257 O HOH 178 24.862 1.802 25.172 1.00 26.46 O HETATM 2258 O HOH 179 33.820 7.584 -2.682 1.00 31.89 O HETATM 2259 O HOH 180 4.332 11.739 16.100 1.00 25.60 O HETATM 2260 O HOH 181 0.535 8.478 -4.935 1.00 24.42 O HETATM 2261 O HOH 182 -5.043 7.721 13.929 1.00 21.37 O HETATM 2262 O HOH 183 19.131 -13.603 7.027 1.00 34.02 O HETATM 2263 O HOH 184 -1.804 9.702 17.234 1.00 17.59 O HETATM 2264 O HOH 185 21.470 2.969 -15.229 1.00 19.40 O HETATM 2265 O HOH 186 5.364 14.349 14.543 1.00 17.61 O HETATM 2266 O HOH 187 21.613 -9.608 8.463 1.00 27.09 O HETATM 2267 O HOH 188 21.988 16.052 13.902 1.00 25.42 O HETATM 2268 O HOH 189 21.094 7.558 21.433 1.00 27.59 O HETATM 2269 O HOH 190 9.723 8.863 17.884 1.00 30.81 O HETATM 2270 O HOH 191 18.570 10.845 18.701 1.00 25.39 O HETATM 2271 O HOH 192 16.274 10.232 15.083 1.00 23.75 O HETATM 2272 O HOH 193 5.726 14.158 11.733 1.00 15.32 O HETATM 2273 O HOH 194 15.316 -17.071 -1.752 1.00 29.80 O HETATM 2274 O HOH 195 7.750 9.379 8.818 1.00 21.11 O HETATM 2275 O HOH 196 25.491 4.111 23.360 1.00 33.33 O HETATM 2276 O HOH 197 15.253 9.063 -16.490 1.00 31.11 O HETATM 2277 O HOH 198 15.082 -5.969 -16.396 1.00 37.26 O HETATM 2278 O HOH 199 9.768 11.153 16.194 1.00 19.39 O HETATM 2279 O HOH 200 29.191 4.371 -8.977 1.00 27.98 O HETATM 2280 O HOH 201 -6.591 10.028 13.209 1.00 23.48 O HETATM 2281 O HOH 202 10.410 12.792 7.874 1.00 26.95 O HETATM 2282 O HOH 203 14.565 -3.876 -18.028 1.00 18.00 O HETATM 2283 O HOH 204 14.053 -0.077 23.709 1.00 19.09 O HETATM 2284 O HOH 205 29.373 0.132 18.034 1.00 30.64 O HETATM 2285 O HOH 206 15.955 11.372 18.488 1.00 38.01 O HETATM 2286 O HOH 207 21.313 -5.234 23.101 1.00 31.29 O HETATM 2287 O HOH 208 2.598 -7.456 -16.990 1.00 27.63 O HETATM 2288 O HOH 209 10.035 -3.435 24.672 1.00 12.28 O HETATM 2289 O HOH 210 -3.598 2.566 10.730 1.00 25.16 O HETATM 2290 O HOH 211 18.266 -17.450 -2.100 1.00 26.04 O HETATM 2291 O HOH 212 23.791 6.843 17.911 1.00 24.11 O HETATM 2292 O HOH 213 16.121 10.636 25.281 1.00 28.74 O HETATM 2293 O HOH 214 11.025 -0.630 -15.919 1.00 20.89 O HETATM 2294 O HOH 215 5.548 -11.531 -7.463 1.00 16.88 O HETATM 2295 O HOH 216 -0.090 7.424 -7.518 1.00 29.55 O HETATM 2296 O HOH 217 9.821 1.600 -17.220 1.00 31.52 O HETATM 2297 O HOH 218 8.740 13.182 3.038 1.00 34.35 O HETATM 2298 O HOH 219 23.488 -10.992 -10.459 1.00 27.36 O HETATM 2299 O HOH 220 28.758 -8.047 3.028 1.00 25.77 O HETATM 2300 O HOH 221 5.332 1.428 -16.504 1.00 33.14 O HETATM 2301 O HOH 222 30.054 -4.191 17.911 1.00 25.61 O HETATM 2302 O HOH 223 10.976 9.795 14.019 1.00 13.50 O HETATM 2303 O HOH 224 10.302 -2.782 -17.271 1.00 25.30 O HETATM 2304 O HOH 225 12.511 15.302 14.158 1.00 31.81 O HETATM 2305 O HOH 226 -2.089 5.533 -7.694 1.00 27.75 O HETATM 2306 O HOH 227 28.903 -6.919 -2.340 1.00 38.53 O HETATM 2307 O HOH 228 17.239 6.980 27.924 1.00 23.12 O HETATM 2308 O HOH 229 28.883 -3.499 22.875 1.00 30.73 O HETATM 2309 O HOH 230 10.111 -18.276 0.427 1.00 27.56 O HETATM 2310 O HOH 231 -0.740 12.144 16.616 1.00 23.35 O HETATM 2311 O HOH 232 27.272 -7.031 -13.486 1.00 32.90 O HETATM 2312 O HOH 233 10.857 -16.358 -1.257 1.00 27.68 O HETATM 2313 O HOH 234 20.061 -10.987 10.119 1.00 33.55 O HETATM 2314 O HOH 235 -1.652 -7.840 -16.138 1.00 18.95 O HETATM 2315 O HOH 236 9.584 -5.634 23.280 1.00 31.37 O HETATM 2316 O HOH 237 20.663 11.757 -3.497 1.00 31.97 O HETATM 2317 O HOH 238 26.621 -10.229 2.635 1.00 36.77 O HETATM 2318 O HOH 239 23.527 6.700 20.726 1.00 25.74 O HETATM 2319 O HOH 240 -4.393 14.071 14.882 1.00 14.90 O HETATM 2320 O HOH 241 36.930 6.112 -0.566 1.00 28.17 O HETATM 2321 O HOH 242 1.923 12.541 17.122 1.00 26.08 O HETATM 2322 O HOH 243 13.210 13.489 15.310 1.00 20.37 O HETATM 2323 O HOH 244 22.089 8.766 17.274 1.00 19.71 O HETATM 2324 O HOH 245 23.884 13.226 16.141 1.00 28.56 O HETATM 2325 O HOH 246 26.417 10.052 17.432 1.00 29.71 O HETATM 2326 O HOH 247 17.669 -19.205 -0.701 1.00 44.38 O HETATM 2327 O HOH 248 25.874 -5.565 24.109 1.00 31.14 O HETATM 2328 O HOH 249 23.367 -6.026 24.823 1.00 25.13 O HETATM 2329 O HOH 250 25.059 8.737 21.539 1.00 34.77 O HETATM 2330 N1 E A 88 7.551 9.765 1.326 1.00 -0.28 N HETATM 2331 C3 E A 88 8.517 8.661 1.369 1.00 0.10 C HETATM 2332 C5 E A 88 9.925 9.158 0.973 1.00 -0.01 C HETATM 2333 C7 E A 88 9.887 9.762 -0.436 1.00 -0.06 C HETATM 2334 H3 E A 88 10.892 10.114 -0.711 1.00 0.02 H HETATM 2335 H4 E A 88 9.185 10.609 -0.453 1.00 0.02 H HETATM 2336 H5 E A 88 9.557 8.997 -1.154 1.00 0.02 H HETATM 2337 C11 E A 88 10.450 10.146 2.029 1.00 -0.06 C HETATM 2338 H8 E A 88 11.452 10.494 1.739 1.00 0.02 H HETATM 2339 H9 E A 88 10.505 9.644 3.006 1.00 0.02 H HETATM 2340 H10 E A 88 9.768 11.007 2.097 1.00 0.02 H HETATM 2341 H2 E A 88 10.605 8.294 0.952 1.00 0.03 H HETATM 2342 C15 E A 88 8.519 7.985 2.741 1.00 0.06 C HETATM 2343 O17 E A 88 8.249 8.715 3.705 1.00 -0.57 O HETATM 2344 O16 E A 88 8.787 6.754 2.754 1.00 -0.57 O HETATM 2345 H7 E A 88 8.206 7.910 0.628 1.00 0.07 H HETATM 2346 C19 E A 88 6.229 9.658 1.499 1.00 0.16 C HETATM 2347 N24 E A 88 5.682 8.385 1.521 1.00 -0.23 N HETATM 2348 C23 E A 88 4.342 8.249 1.775 1.00 0.15 C HETATM 2349 C22 E A 88 3.562 9.381 2.023 1.00 0.05 C HETATM 2350 C21 E A 88 4.196 10.643 1.938 1.00 0.03 C HETATM 2351 C49 E A 88 3.468 11.860 2.050 1.00 -0.05 C HETATM 2352 C47 E A 88 2.083 11.786 2.334 1.00 -0.06 C HETATM 2353 C45 E A 88 1.487 10.531 2.532 1.00 -0.06 C HETATM 2354 C43 E A 88 2.158 9.329 2.268 1.00 -0.04 C HETATM 2355 H11 E A 88 1.624 8.386 2.251 1.00 0.07 H HETATM 2356 H12 E A 88 0.469 10.490 2.903 1.00 0.06 H HETATM 2357 H13 E A 88 1.488 12.690 2.398 1.00 0.07 H HETATM 2358 H14 E A 88 3.960 12.817 1.921 1.00 0.06 H HETATM 2359 N20 E A 88 5.508 10.735 1.735 1.00 -0.29 N HETATM 2360 N25 E A 88 3.797 7.040 1.720 1.00 -0.25 N HETATM 2361 C27 E A 88 4.320 5.700 1.604 1.00 0.06 C HETATM 2362 C28 E A 88 3.476 4.753 1.150 1.00 -0.03 C HETATM 2363 C30 E A 88 3.932 3.404 0.974 1.00 -0.01 C HETATM 2364 C31 E A 88 5.209 3.069 1.438 1.00 -0.07 C HETATM 2365 C33 E A 88 6.074 4.067 1.833 1.00 -0.08 C HETATM 2366 C35 E A 88 5.632 5.378 1.949 1.00 -0.04 C HETATM 2367 H16 E A 88 6.305 6.149 2.307 1.00 0.05 H HETATM 2368 H17 E A 88 7.107 3.826 2.055 1.00 0.06 H HETATM 2369 H18 E A 88 5.516 2.031 1.486 1.00 0.05 H HETATM 2370 C37 E A 88 2.886 2.422 0.519 1.00 -0.00 C HETATM 2371 N40 E A 88 2.847 0.979 0.926 1.00 0.23 N HETATM 2372 H21 E A 88 2.055 0.529 0.493 1.00 0.20 H HETATM 2373 H22 E A 88 2.763 0.915 1.929 1.00 0.20 H HETATM 2374 H23 E A 88 3.696 0.523 0.630 1.00 0.20 H HETATM 2375 H19 E A 88 2.940 2.419 -0.580 1.00 0.10 H HETATM 2376 H20 E A 88 1.922 2.846 0.838 1.00 0.10 H HETATM 2377 H6 E A 88 2.449 5.011 0.917 1.00 0.05 H HETATM 2378 H15 E A 88 2.769 7.064 1.772 1.00 0.22 H HETATM 2379 H1 E A 88 7.925 10.708 1.146 1.00 0.19 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 1113 1112 1724 CONECT 1400 1399 1566 CONECT 1566 1400 1565 CONECT 1648 1647 1844 CONECT 1724 1113 1723 CONECT 1844 1648 1843 CONECT 2330 2331 2346 2379 CONECT 2331 2330 2332 2342 2345 CONECT 2332 2331 2333 2337 2341 CONECT 2333 2332 2334 2335 2336 CONECT 2334 2333 CONECT 2335 2333 CONECT 2336 2333 CONECT 2337 2332 2338 2339 2340 CONECT 2338 2337 CONECT 2339 2337 CONECT 2340 2337 CONECT 2341 2332 CONECT 2342 2331 2343 2344 CONECT 2343 2342 CONECT 2344 2342 CONECT 2345 2331 CONECT 2346 2330 2347 2359 CONECT 2347 2346 2348 CONECT 2348 2347 2349 2360 CONECT 2349 2348 2350 2354 CONECT 2350 2349 2351 2359 CONECT 2351 2350 2352 2358 CONECT 2352 2351 2353 2357 CONECT 2353 2352 2354 2356 CONECT 2354 2349 2353 2355 CONECT 2355 2354 CONECT 2356 2353 CONECT 2357 2352 CONECT 2358 2351 CONECT 2359 2346 2350 CONECT 2360 2348 2361 2378 CONECT 2361 2360 2362 2366 CONECT 2362 2361 2363 2377 CONECT 2363 2362 2364 2370 CONECT 2364 2363 2365 2369 CONECT 2365 2364 2366 2368 CONECT 2366 2361 2365 2367 CONECT 2367 2366 CONECT 2368 2365 CONECT 2369 2364 CONECT 2370 2363 2371 2375 2376 CONECT 2371 2370 2372 2373 2374 CONECT 2372 2371 CONECT 2373 2371 CONECT 2374 2371 CONECT 2375 2370 CONECT 2376 2370 CONECT 2377 2362 CONECT 2378 2360 CONECT 2379 2330 MASTER 0 0 0 0 0 0 0 0 2378 1 62 18 END
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Structure:
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Pocket-Ligand
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Related entries of code: 6fuh
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1bio
RCSB PDB
PDBbind
228aa, >1BIO_1|Chain... at 100%
5fbe
RCSB PDB
PDBbind
232aa, >5FBE_1|Chain... at 99%
5fbi
RCSB PDB
PDBbind
232aa, >5FBI_1|Chain... at 99%
5fck
RCSB PDB
PDBbind
232aa, >5FCK_1|Chain... at 99%
5mt0
RCSB PDB
PDBbind
232aa, >5MT0_1|Chain... at 99%
5mt4
RCSB PDB
PDBbind
232aa, >5MT4_1|Chain... at 99%
5nar
RCSB PDB
PDBbind
232aa, >5NAR_1|Chain... at 99%
5naw
RCSB PDB
PDBbind
232aa, >5NAW_1|Chain... at 99%
5nb6
RCSB PDB
PDBbind
232aa, >5NB6_1|Chain... at 99%
5nb7
RCSB PDB
PDBbind
230aa, >5NB7_1|Chain... at 100%
5nba
RCSB PDB
PDBbind
230aa, >5NBA_1|Chain... at 100%
5tca
RCSB PDB
PDBbind
228aa, >5TCA_1|Chains... at 100%
5tcc
RCSB PDB
PDBbind
228aa, >5TCC_1|Chains... at 100%
6fty
RCSB PDB
PDBbind
232aa, >6FTY_1|Chain... at 99%
6ftz
RCSB PDB
PDBbind
232aa, >6FTZ_1|Chain... at 99%
6fug
RCSB PDB
PDBbind
232aa, >6FUG_1|Chains... at 99%
6fui
RCSB PDB
PDBbind
232aa, >6FUI_1|Chain... at 99%
6fuj
RCSB PDB
PDBbind
232aa, >6FUJ_1|Chains... at 99%
6fut
RCSB PDB
PDBbind
232aa, >6FUT_1|Chain... at 99%
6qmt
RCSB PDB
PDBbind
254aa, >6QMT_1|Chains... at 100%
6qmr
RCSB PDB
PDBbind
254aa, >6QMR_1|Chains... *
5nat
RCSB PDB
PDBbind
232aa, >5NAT_1|Chain... at 99%
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
6fuh
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Complement Factor D
Ligand Name
E88
EC.Number
E.C.-.-.-.-
Resolution
1.37(Å)
Affinity (Kd/Ki/IC50)
Kd=170uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) ACS Med Chem Lett Vol. 9: pp. 490-495
Ligand Properties
Formula
C
2
0
H
2
4
N
5
O
2
Molecular Weight
366.437
Exact Mass
366.193
No. of atoms
51
No. of bonds
53
Polar Surface Area
114.78
LOGP Value
2.15 (
Computed with XLOGP3
)
2.78 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 3
Canonical SMILES
[NH3+]Cc1cccc(c1)Nc1nc(N[C@H](C(=O)O)C(C)C)nc2c1cccc2
InChI String
InChI=1S/C20H23N5O2/c1-12(2)17(19(26)27)24-20-23-16-9-4-3-8-15(16)18(25-20)22-14-7-5-6-13(10-14)11-21/h3-10,12,17H,11,21H2,1-2H3,(H,26,27)(H2,22,23,24,25)/p+1/t17-/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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