Browse entries in the PDBbind-CN Database
HEADER 6NEL_COMPLEX COMPND 6NEL_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 202 GLY PRO LEU GLY SER MET GLU ASP PHE VAL ARG GLN CYS SEQRES 2 A 202 PHE ASN PRO MET ILE VAL GLU LEU ALA GLU LYS ALA MET SEQRES 3 A 202 LYS GLU TYR GLY GLU ASP PRO LYS ILE GLU THR ASN LYS SEQRES 4 A 202 PHE ALA ALA ILE CYS THR HIS LEU GLU VAL CYS PHE MET SEQRES 5 A 202 TYR SER ASP PHE HIS PHE ILE ASP GLU ARG GLY GLU SER SEQRES 6 A 202 ILE ILE VAL GLU SER GLY ASP PRO ASN ALA LEU LEU LYS SEQRES 7 A 202 HIS ARG PHE GLU ILE ILE GLU GLY ARG ASP ARG ILE MET SEQRES 8 A 202 ALA TRP THR VAL VAL ASN SER ILE CYS ASN THR THR GLY SEQRES 9 A 202 VAL GLU LYS PRO LYS PHE LEU PRO ASP LEU TYR ASP TYR SEQRES 10 A 202 LYS GLU ASN ARG PHE ILE GLU ILE GLY VAL THR ARG ARG SEQRES 11 A 202 GLU VAL HIS ILE TYR TYR LEU GLU LYS ALA ASN LYS ILE SEQRES 12 A 202 LYS SER GLU LYS THR HIS ILE HIS ILE PHE SER PHE THR SEQRES 13 A 202 GLY GLU GLU MET ALA THR LYS ALA ASP TYR THR LEU ASP SEQRES 14 A 202 GLU GLU SER ARG ALA ARG ILE LYS THR ARG LEU PHE THR SEQRES 15 A 202 ILE ARG GLN GLU MET ALA SER ARG SER LEU TRP ASP SER SEQRES 16 A 202 PHE ARG GLN SER GLU ARG GLY HET MN A 1 1 HET MN A 2 1 HET MG A 3 1 HET KKV A 300 35 ATOM 1 N GLY A -4 37.978 34.992 -15.140 1.00 95.81 N ATOM 2 CA GLY A -4 38.454 33.744 -15.799 1.00 93.70 C ATOM 3 C GLY A -4 37.666 33.407 -17.049 1.00 88.63 C ATOM 4 O GLY A -4 36.761 34.147 -17.437 1.00 90.32 O ATOM 5 HN3 GLY A -4 36.980 34.880 -14.868 1.00 0.00 H ATOM 6 HN2 GLY A -4 38.071 35.789 -15.801 1.00 0.00 H ATOM 7 HN1 GLY A -4 38.551 35.175 -14.292 1.00 0.00 H ATOM 8 N PRO A -3 38.002 32.287 -17.683 1.00 78.01 N ATOM 9 CA PRO A -3 37.268 31.873 -18.883 1.00 71.61 C ATOM 10 C PRO A -3 35.864 31.396 -18.548 1.00 63.47 C ATOM 11 O PRO A -3 35.618 30.791 -17.501 1.00 61.24 O ATOM 12 CB PRO A -3 38.123 30.733 -19.445 1.00 73.29 C ATOM 13 CG PRO A -3 38.821 30.171 -18.251 1.00 73.88 C ATOM 14 CD PRO A -3 39.075 31.338 -17.335 1.00 76.35 C ATOM 15 N LEU A -2 34.935 31.681 -19.456 1.00 55.39 N ATOM 16 CA LEU A -2 33.546 31.282 -19.272 1.00 52.44 C ATOM 17 C LEU A -2 33.366 29.838 -19.722 1.00 51.66 C ATOM 18 O LEU A -2 33.581 29.514 -20.895 1.00 53.42 O ATOM 19 CB LEU A -2 32.607 32.204 -20.047 1.00 52.72 C ATOM 20 CG LEU A -2 32.175 33.478 -19.316 1.00 52.60 C ATOM 21 CD1 LEU A -2 33.363 34.400 -19.071 1.00 55.18 C ATOM 22 CD2 LEU A -2 31.075 34.198 -20.079 1.00 52.91 C ATOM 23 H LEU A -2 35.206 32.200 -20.316 1.00 0.00 H ATOM 24 N GLY A -1 32.987 28.969 -18.785 1.00 49.43 N ATOM 25 CA GLY A -1 32.678 27.596 -19.116 1.00 48.73 C ATOM 26 C GLY A -1 31.264 27.443 -19.650 1.00 47.21 C ATOM 27 O GLY A -1 30.482 28.390 -19.713 1.00 46.62 O ATOM 28 H GLY A -1 32.912 29.285 -17.797 1.00 0.00 H ATOM 29 N SER A 0 30.944 26.226 -20.071 1.00 47.02 N ATOM 30 CA SER A 0 29.607 25.907 -20.547 1.00 45.88 C ATOM 31 C SER A 0 28.821 25.218 -19.441 1.00 43.36 C ATOM 32 O SER A 0 29.362 24.391 -18.701 1.00 43.03 O ATOM 33 CB SER A 0 29.655 25.018 -21.789 1.00 47.80 C ATOM 34 OG SER A 0 30.080 23.710 -21.468 1.00 47.98 O ATOM 35 HG SER A 0 29.450 23.310 -20.818 1.00 0.00 H ATOM 36 H SER A 0 31.669 25.480 -20.060 1.00 0.00 H ATOM 37 N MET A 1 27.541 25.576 -19.324 1.00 41.94 N ATOM 38 CA MET A 1 26.692 24.930 -18.331 1.00 39.92 C ATOM 39 C MET A 1 26.578 23.435 -18.591 1.00 40.07 C ATOM 40 O MET A 1 26.426 22.650 -17.646 1.00 38.96 O ATOM 41 CB MET A 1 25.306 25.576 -18.323 1.00 39.06 C ATOM 42 CG MET A 1 24.403 25.059 -17.203 1.00 37.32 C ATOM 43 SD MET A 1 25.104 25.378 -15.567 1.00 36.47 S ATOM 44 CE MET A 1 24.626 27.085 -15.327 1.00 36.85 C ATOM 45 H MET A 1 27.149 26.316 -19.941 1.00 0.00 H ATOM 46 N GLU A 2 26.634 23.029 -19.862 1.00 41.80 N ATOM 47 CA GLU A 2 26.653 21.613 -20.221 1.00 44.35 C ATOM 48 C GLU A 2 27.785 20.889 -19.503 1.00 43.12 C ATOM 49 O GLU A 2 27.566 19.884 -18.819 1.00 42.49 O ATOM 50 CB GLU A 2 26.797 21.471 -21.739 1.00 53.23 C ATOM 51 CG GLU A 2 26.921 20.038 -22.251 1.00 59.76 C ATOM 52 CD GLU A 2 25.612 19.284 -22.220 1.00 61.97 C ATOM 53 OE1 GLU A 2 24.652 19.782 -21.598 1.00 60.48 O ATOM 54 OE2 GLU A 2 25.542 18.196 -22.829 1.00 65.06 O ATOM 55 H GLU A 2 26.665 23.742 -20.619 1.00 0.00 H ATOM 56 N ASP A 3 29.015 21.377 -19.682 1.00 44.63 N ATOM 57 CA ASP A 3 30.167 20.753 -19.039 1.00 46.20 C ATOM 58 C ASP A 3 29.984 20.682 -17.527 1.00 43.91 C ATOM 59 O ASP A 3 30.333 19.677 -16.900 1.00 44.33 O ATOM 60 CB ASP A 3 31.440 21.529 -19.383 1.00 48.30 C ATOM 61 CG ASP A 3 31.832 21.399 -20.842 1.00 52.24 C ATOM 62 OD1 ASP A 3 31.044 20.830 -21.629 1.00 53.99 O ATOM 63 OD2 ASP A 3 32.923 21.890 -21.207 1.00 53.67 O ATOM 64 H ASP A 3 29.154 22.212 -20.287 1.00 0.00 H ATOM 65 N PHE A 4 29.436 21.737 -16.922 1.00 43.32 N ATOM 66 CA PHE A 4 29.253 21.747 -15.474 1.00 42.19 C ATOM 67 C PHE A 4 28.317 20.629 -15.032 1.00 40.37 C ATOM 68 O PHE A 4 28.623 19.875 -14.102 1.00 40.11 O ATOM 69 CB PHE A 4 28.706 23.104 -15.025 1.00 41.23 C ATOM 70 CG PHE A 4 28.226 23.121 -13.597 1.00 39.25 C ATOM 71 CD1 PHE A 4 29.123 23.194 -12.548 1.00 40.35 C ATOM 72 CD2 PHE A 4 26.872 23.047 -13.306 1.00 37.45 C ATOM 73 CE1 PHE A 4 28.679 23.201 -11.230 1.00 39.20 C ATOM 74 CE2 PHE A 4 26.425 23.050 -11.994 1.00 37.47 C ATOM 75 CZ PHE A 4 27.330 23.128 -10.958 1.00 37.48 C ATOM 76 H PHE A 4 29.137 22.558 -17.486 1.00 0.00 H ATOM 77 N VAL A 5 27.167 20.507 -15.694 1.00 38.38 N ATOM 78 CA VAL A 5 26.165 19.525 -15.287 1.00 37.59 C ATOM 79 C VAL A 5 26.716 18.106 -15.385 1.00 39.06 C ATOM 80 O VAL A 5 26.559 17.298 -14.463 1.00 38.80 O ATOM 81 CB VAL A 5 24.886 19.697 -16.127 1.00 37.23 C ATOM 82 CG1 VAL A 5 23.920 18.546 -15.890 1.00 37.04 C ATOM 83 CG2 VAL A 5 24.221 21.021 -15.787 1.00 36.03 C ATOM 84 H VAL A 5 26.980 21.120 -16.513 1.00 0.00 H ATOM 85 N ARG A 6 27.368 17.779 -16.499 1.00 41.04 N ATOM 86 CA ARG A 6 27.833 16.410 -16.697 1.00 43.50 C ATOM 87 C ARG A 6 28.989 16.051 -15.773 1.00 43.95 C ATOM 88 O ARG A 6 29.196 14.869 -15.476 1.00 45.33 O ATOM 89 CB ARG A 6 28.245 16.208 -18.151 1.00 49.35 C ATOM 90 CG ARG A 6 27.111 16.429 -19.124 1.00 51.87 C ATOM 91 CD ARG A 6 27.308 15.639 -20.397 1.00 55.90 C ATOM 92 NE ARG A 6 26.164 15.786 -21.290 1.00 55.66 N ATOM 93 CZ ARG A 6 25.050 15.064 -21.214 1.00 54.46 C ATOM 94 NH1 ARG A 6 24.913 14.126 -20.286 1.00 51.98 N ATOM 95 NH2 ARG A 6 24.068 15.282 -22.075 1.00 56.18 N ATOM 96 HE ARG A 6 26.224 16.506 -22.038 1.00 0.00 H ATOM 97 HH12 ARG A 6 24.037 13.568 -20.236 1.00 0.00 H ATOM 98 HH11 ARG A 6 25.682 13.949 -19.608 1.00 0.00 H ATOM 99 HH22 ARG A 6 23.194 14.720 -22.020 1.00 0.00 H ATOM 100 HH21 ARG A 6 24.170 16.015 -22.806 1.00 0.00 H ATOM 101 H ARG A 6 27.546 18.499 -17.228 1.00 0.00 H ATOM 102 N GLN A 7 29.770 17.035 -15.343 1.00 43.63 N ATOM 103 CA GLN A 7 30.912 16.778 -14.474 1.00 44.89 C ATOM 104 C GLN A 7 30.569 16.785 -12.986 1.00 43.34 C ATOM 105 O GLN A 7 31.153 16.007 -12.224 1.00 44.65 O ATOM 106 CB GLN A 7 32.020 17.798 -14.755 1.00 46.00 C ATOM 107 CG GLN A 7 32.474 17.820 -16.211 1.00 49.99 C ATOM 108 CD GLN A 7 33.376 18.995 -16.539 1.00 52.66 C ATOM 109 OE1 GLN A 7 33.607 19.870 -15.708 1.00 52.73 O ATOM 110 NE2 GLN A 7 33.882 19.022 -17.764 1.00 56.15 N ATOM 111 HE22 GLN A 7 33.660 18.260 -18.435 1.00 0.00 H ATOM 112 HE21 GLN A 7 34.501 19.806 -18.054 1.00 0.00 H ATOM 113 H GLN A 7 29.562 18.012 -15.633 1.00 0.00 H ATOM 114 N CYS A 8 29.674 17.671 -12.541 1.00 44.78 N ATOM 115 CA CYS A 8 29.337 17.779 -11.123 1.00 45.97 C ATOM 116 C CYS A 8 28.077 17.039 -10.666 1.00 42.07 C ATOM 117 O CYS A 8 27.820 17.012 -9.458 1.00 41.01 O ATOM 118 CB CYS A 8 29.230 19.258 -10.748 1.00 51.13 C ATOM 119 SG CYS A 8 30.661 20.215 -11.346 1.00 58.22 S ATOM 120 H CYS A 8 29.204 18.301 -13.222 1.00 0.00 H ATOM 121 N PHE A 9 27.286 16.448 -11.563 1.00 38.72 N ATOM 122 CA PHE A 9 26.102 15.681 -11.173 1.00 38.13 C ATOM 123 C PHE A 9 26.256 14.213 -11.545 1.00 39.94 C ATOM 124 O PHE A 9 26.855 13.877 -12.569 1.00 41.44 O ATOM 125 CB PHE A 9 24.812 16.226 -11.801 1.00 36.78 C ATOM 126 CG PHE A 9 24.371 17.547 -11.245 1.00 35.34 C ATOM 127 CD1 PHE A 9 23.783 17.616 -9.992 1.00 34.80 C ATOM 128 CD2 PHE A 9 24.543 18.713 -11.962 1.00 34.98 C ATOM 129 CE1 PHE A 9 23.367 18.828 -9.473 1.00 34.04 C ATOM 130 CE2 PHE A 9 24.135 19.924 -11.446 1.00 34.13 C ATOM 131 CZ PHE A 9 23.549 19.985 -10.205 1.00 33.72 C ATOM 132 H PHE A 9 27.518 16.535 -12.573 1.00 0.00 H ATOM 133 N ASN A 10 25.709 13.348 -10.697 1.00 40.19 N ATOM 134 CA ASN A 10 25.752 11.916 -10.948 1.00 44.61 C ATOM 135 C ASN A 10 25.077 11.596 -12.281 1.00 42.82 C ATOM 136 O ASN A 10 24.065 12.218 -12.629 1.00 41.14 O ATOM 137 CB ASN A 10 25.050 11.167 -9.814 1.00 52.24 C ATOM 138 CG ASN A 10 25.127 9.665 -9.972 1.00 61.93 C ATOM 139 OD1 ASN A 10 24.344 9.067 -10.710 1.00 64.15 O ATOM 140 ND2 ASN A 10 26.070 9.044 -9.274 1.00 67.09 N ATOM 141 HD22 ASN A 10 26.710 9.591 -8.663 1.00 0.00 H ATOM 142 HD21 ASN A 10 26.169 8.011 -9.338 1.00 0.00 H ATOM 143 H ASN A 10 25.242 13.702 -9.838 1.00 0.00 H ATOM 144 N PRO A 11 25.602 10.632 -13.051 1.00 45.18 N ATOM 145 CA PRO A 11 24.973 10.317 -14.347 1.00 46.13 C ATOM 146 C PRO A 11 23.497 9.973 -14.245 1.00 45.42 C ATOM 147 O PRO A 11 22.725 10.311 -15.150 1.00 45.15 O ATOM 148 CB PRO A 11 25.798 9.126 -14.852 1.00 49.64 C ATOM 149 CG PRO A 11 27.118 9.274 -14.192 1.00 50.27 C ATOM 150 CD PRO A 11 26.835 9.853 -12.838 1.00 47.75 C ATOM 151 N MET A 12 23.082 9.299 -13.172 1.00 45.48 N ATOM 152 CA MET A 12 21.670 8.962 -13.010 1.00 45.15 C ATOM 153 C MET A 12 20.812 10.219 -12.987 1.00 42.64 C ATOM 154 O MET A 12 19.780 10.295 -13.664 1.00 42.72 O ATOM 155 CB MET A 12 21.468 8.158 -11.725 1.00 52.80 C ATOM 156 CG MET A 12 20.005 8.009 -11.302 1.00 60.88 C ATOM 157 SD MET A 12 19.796 7.105 -9.754 1.00 70.07 S ATOM 158 CE MET A 12 20.576 8.226 -8.589 1.00 70.28 C ATOM 159 H MET A 12 23.768 9.011 -12.445 1.00 0.00 H ATOM 160 N ILE A 13 21.217 11.210 -12.190 1.00 40.80 N ATOM 161 CA ILE A 13 20.466 12.459 -12.095 1.00 38.85 C ATOM 162 C ILE A 13 20.410 13.150 -13.453 1.00 38.72 C ATOM 163 O ILE A 13 19.343 13.578 -13.909 1.00 38.40 O ATOM 164 CB ILE A 13 21.088 13.367 -11.014 1.00 37.53 C ATOM 165 CG1 ILE A 13 20.893 12.737 -9.629 1.00 38.52 C ATOM 166 CG2 ILE A 13 20.485 14.768 -11.051 1.00 35.99 C ATOM 167 CD1 ILE A 13 21.662 13.425 -8.513 1.00 39.65 C ATOM 168 H ILE A 13 22.083 11.091 -11.626 1.00 0.00 H ATOM 169 N VAL A 14 21.553 13.230 -14.139 1.00 39.41 N ATOM 170 CA VAL A 14 21.594 13.882 -15.446 1.00 39.72 C ATOM 171 C VAL A 14 20.641 13.192 -16.413 1.00 41.24 C ATOM 172 O VAL A 14 19.896 13.849 -17.149 1.00 41.11 O ATOM 173 CB VAL A 14 23.037 13.899 -15.990 1.00 40.90 C ATOM 174 CG1 VAL A 14 23.089 14.549 -17.366 1.00 41.67 C ATOM 175 CG2 VAL A 14 23.969 14.630 -15.028 1.00 39.72 C ATOM 176 H VAL A 14 22.423 12.824 -13.739 1.00 0.00 H ATOM 177 N GLU A 15 20.643 11.860 -16.421 1.00 43.08 N ATOM 178 CA GLU A 15 19.794 11.118 -17.346 1.00 45.09 C ATOM 179 C GLU A 15 18.319 11.363 -17.050 1.00 44.22 C ATOM 180 O GLU A 15 17.526 11.629 -17.961 1.00 45.03 O ATOM 181 CB GLU A 15 20.118 9.627 -17.263 1.00 49.40 C ATOM 182 CG GLU A 15 19.328 8.763 -18.233 1.00 59.29 C ATOM 183 CD GLU A 15 19.783 7.317 -18.228 1.00 69.05 C ATOM 184 OE1 GLU A 15 20.714 6.987 -17.463 1.00 70.96 O ATOM 185 OE2 GLU A 15 19.215 6.510 -18.993 1.00 75.13 O ATOM 186 H GLU A 15 21.257 11.343 -15.760 1.00 0.00 H ATOM 187 N LEU A 16 17.929 11.270 -15.776 1.00 42.98 N ATOM 188 CA LEU A 16 16.542 11.540 -15.412 1.00 42.51 C ATOM 189 C LEU A 16 16.147 12.963 -15.782 1.00 41.18 C ATOM 190 O LEU A 16 15.024 13.208 -16.241 1.00 41.87 O ATOM 191 CB LEU A 16 16.334 11.297 -13.916 1.00 41.69 C ATOM 192 CG LEU A 16 16.413 9.846 -13.431 1.00 43.44 C ATOM 193 CD1 LEU A 16 16.386 9.788 -11.908 1.00 42.68 C ATOM 194 CD2 LEU A 16 15.281 9.002 -14.012 1.00 45.61 C ATOM 195 H LEU A 16 18.616 11.004 -15.041 1.00 0.00 H ATOM 196 N ALA A 17 17.067 13.915 -15.612 1.00 39.66 N ATOM 197 CA ALA A 17 16.776 15.297 -15.971 1.00 38.74 C ATOM 198 C ALA A 17 16.618 15.451 -17.478 1.00 40.21 C ATOM 199 O ALA A 17 15.743 16.191 -17.944 1.00 40.52 O ATOM 200 CB ALA A 17 17.880 16.216 -15.450 1.00 37.22 C ATOM 201 H ALA A 17 17.998 13.669 -15.220 1.00 0.00 H ATOM 202 N GLU A 18 17.459 14.764 -18.255 1.00 42.47 N ATOM 203 CA GLU A 18 17.345 14.819 -19.709 1.00 47.71 C ATOM 204 C GLU A 18 16.013 14.244 -20.171 1.00 45.27 C ATOM 205 O GLU A 18 15.338 14.820 -21.033 1.00 46.35 O ATOM 206 CB GLU A 18 18.502 14.064 -20.362 1.00 56.68 C ATOM 207 CG GLU A 18 19.833 14.784 -20.284 1.00 62.33 C ATOM 208 CD GLU A 18 20.955 14.010 -20.950 1.00 69.21 C ATOM 209 OE1 GLU A 18 20.992 12.769 -20.818 1.00 72.17 O ATOM 210 OE2 GLU A 18 21.802 14.649 -21.604 1.00 71.36 O ATOM 211 H GLU A 18 18.204 14.183 -17.819 1.00 0.00 H ATOM 212 N LYS A 19 15.633 13.084 -19.628 1.00 45.95 N ATOM 213 CA LYS A 19 14.364 12.473 -20.013 1.00 47.96 C ATOM 214 C LYS A 19 13.194 13.388 -19.683 1.00 47.15 C ATOM 215 O LYS A 19 12.252 13.513 -20.475 1.00 49.02 O ATOM 216 CB LYS A 19 14.193 11.123 -19.317 1.00 48.87 C ATOM 217 CG LYS A 19 15.074 10.017 -19.869 1.00 51.01 C ATOM 218 CD LYS A 19 14.677 8.664 -19.292 1.00 52.62 C ATOM 219 CE LYS A 19 15.418 7.516 -19.974 1.00 55.66 C ATOM 220 NZ LYS A 19 16.868 7.499 -19.630 1.00 56.56 N ATOM 221 HZ1 LYS A 19 17.306 8.392 -19.933 1.00 0.00 H ATOM 222 HZ2 LYS A 19 16.978 7.390 -18.602 1.00 0.00 H ATOM 223 HZ3 LYS A 19 17.329 6.703 -20.116 1.00 0.00 H ATOM 224 H LYS A 19 16.243 12.615 -18.929 1.00 0.00 H ATOM 225 N ALA A 20 13.238 14.044 -18.521 1.00 44.80 N ATOM 226 CA ALA A 20 12.156 14.942 -18.137 1.00 44.45 C ATOM 227 C ALA A 20 12.027 16.094 -19.126 1.00 44.93 C ATOM 228 O ALA A 20 10.937 16.365 -19.641 1.00 46.64 O ATOM 229 CB ALA A 20 12.386 15.464 -16.719 1.00 42.26 C ATOM 230 H ALA A 20 14.050 13.913 -17.885 1.00 0.00 H ATOM 231 N MET A 21 13.137 16.776 -19.421 1.00 43.79 N ATOM 232 CA MET A 21 13.077 17.899 -20.352 1.00 44.50 C ATOM 233 C MET A 21 12.554 17.458 -21.715 1.00 47.37 C ATOM 234 O MET A 21 11.767 18.173 -22.347 1.00 48.87 O ATOM 235 CB MET A 21 14.457 18.542 -20.484 1.00 43.24 C ATOM 236 CG MET A 21 14.940 19.212 -19.206 1.00 40.85 C ATOM 237 SD MET A 21 16.416 20.215 -19.446 1.00 39.96 S ATOM 238 CE MET A 21 15.760 21.581 -20.400 1.00 41.39 C ATOM 239 H MET A 21 14.043 16.507 -18.988 1.00 0.00 H ATOM 240 N LYS A 22 12.962 16.273 -22.174 1.00 48.62 N ATOM 241 CA LYS A 22 12.438 15.743 -23.429 1.00 53.03 C ATOM 242 C LYS A 22 10.930 15.549 -23.357 1.00 53.45 C ATOM 243 O LYS A 22 10.208 15.848 -24.317 1.00 55.98 O ATOM 244 CB LYS A 22 13.131 14.422 -23.764 1.00 60.74 C ATOM 245 CG LYS A 22 12.597 13.719 -25.007 1.00 70.32 C ATOM 246 CD LYS A 22 12.757 14.573 -26.247 1.00 76.70 C ATOM 247 CE LYS A 22 12.340 13.816 -27.496 1.00 84.09 C ATOM 248 NZ LYS A 22 12.508 14.638 -28.721 1.00 87.68 N ATOM 249 HZ1 LYS A 22 11.922 15.494 -28.646 1.00 0.00 H ATOM 250 HZ2 LYS A 22 13.507 14.909 -28.821 1.00 0.00 H ATOM 251 HZ3 LYS A 22 12.213 14.085 -29.551 1.00 0.00 H ATOM 252 H LYS A 22 13.659 15.723 -21.633 1.00 0.00 H ATOM 253 N GLU A 23 10.436 15.065 -22.218 1.00 52.32 N ATOM 254 CA GLU A 23 9.013 14.783 -22.079 1.00 54.17 C ATOM 255 C GLU A 23 8.183 16.054 -22.224 1.00 54.64 C ATOM 256 O GLU A 23 7.089 16.025 -22.798 1.00 57.46 O ATOM 257 CB GLU A 23 8.772 14.119 -20.721 1.00 52.86 C ATOM 258 CG GLU A 23 7.386 13.574 -20.483 1.00 55.11 C ATOM 259 CD GLU A 23 7.276 12.858 -19.139 1.00 54.06 C ATOM 260 OE1 GLU A 23 8.127 13.098 -18.259 1.00 51.34 O ATOM 261 OE2 GLU A 23 6.360 12.035 -18.969 1.00 56.25 O ATOM 262 H GLU A 23 11.075 14.886 -21.417 1.00 0.00 H ATOM 263 N TYR A 24 8.691 17.184 -21.733 1.00 59.43 N ATOM 264 CA TYR A 24 7.964 18.446 -21.807 1.00 66.24 C ATOM 265 C TYR A 24 8.333 19.272 -23.034 1.00 67.90 C ATOM 266 O TYR A 24 7.786 20.364 -23.215 1.00 69.47 O ATOM 267 CB TYR A 24 8.158 19.267 -20.526 1.00 71.04 C ATOM 268 CG TYR A 24 7.780 18.508 -19.267 1.00 77.61 C ATOM 269 CD1 TYR A 24 6.481 18.547 -18.773 1.00 82.93 C ATOM 270 CD2 TYR A 24 8.716 17.757 -18.575 1.00 78.53 C ATOM 271 CE1 TYR A 24 6.128 17.854 -17.626 1.00 84.86 C ATOM 272 CE2 TYR A 24 8.374 17.057 -17.430 1.00 80.41 C ATOM 273 CZ TYR A 24 7.080 17.113 -16.959 1.00 83.60 C ATOM 274 OH TYR A 24 6.737 16.419 -15.820 1.00 85.16 O ATOM 275 HH TYR A 24 7.285 16.741 -15.061 1.00 0.00 H ATOM 276 H TYR A 24 9.630 17.165 -21.286 1.00 0.00 H ATOM 277 N GLY A 25 9.254 18.792 -23.867 1.00 68.57 N ATOM 278 CA GLY A 25 9.545 19.452 -25.125 1.00 69.44 C ATOM 279 C GLY A 25 10.585 20.549 -25.073 1.00 66.72 C ATOM 280 O GLY A 25 10.484 21.540 -25.804 1.00 68.06 O ATOM 281 H GLY A 25 9.774 17.928 -23.611 1.00 0.00 H ATOM 282 N GLU A 26 11.596 20.386 -24.228 1.00 59.72 N ATOM 283 CA GLU A 26 12.686 21.344 -24.139 1.00 58.92 C ATOM 284 C GLU A 26 14.003 20.601 -24.289 1.00 54.80 C ATOM 285 O GLU A 26 14.152 19.477 -23.799 1.00 53.64 O ATOM 286 CB GLU A 26 12.646 22.106 -22.811 1.00 61.95 C ATOM 287 CG GLU A 26 11.354 22.884 -22.597 1.00 69.66 C ATOM 288 CD GLU A 26 11.275 23.521 -21.225 1.00 73.66 C ATOM 289 OE1 GLU A 26 12.078 23.143 -20.349 1.00 73.41 O ATOM 290 OE2 GLU A 26 10.415 24.403 -21.021 1.00 77.30 O ATOM 291 H GLU A 26 11.609 19.548 -23.612 1.00 0.00 H ATOM 292 N ASP A 27 14.952 21.233 -24.976 1.00 53.59 N ATOM 293 CA ASP A 27 16.227 20.601 -25.278 1.00 52.67 C ATOM 294 C ASP A 27 17.239 20.942 -24.193 1.00 49.01 C ATOM 295 O ASP A 27 17.484 22.131 -23.949 1.00 46.68 O ATOM 296 CB ASP A 27 16.746 21.057 -26.631 1.00 55.67 C ATOM 297 CG ASP A 27 17.889 20.195 -27.135 1.00 58.14 C ATOM 298 OD1 ASP A 27 18.739 19.784 -26.319 1.00 56.97 O ATOM 299 OD2 ASP A 27 17.933 19.920 -28.350 1.00 62.87 O ATOM 300 H ASP A 27 14.777 22.204 -25.305 1.00 0.00 H ATOM 301 N PRO A 28 17.843 19.956 -23.523 1.00 48.62 N ATOM 302 CA PRO A 28 18.829 20.286 -22.482 1.00 48.05 C ATOM 303 C PRO A 28 19.973 21.150 -22.980 1.00 49.63 C ATOM 304 O PRO A 28 20.554 21.906 -22.192 1.00 49.55 O ATOM 305 CB PRO A 28 19.332 18.909 -22.029 1.00 48.90 C ATOM 306 CG PRO A 28 18.250 17.963 -22.397 1.00 50.01 C ATOM 307 CD PRO A 28 17.633 18.503 -23.640 1.00 51.31 C ATOM 308 N LYS A 29 20.319 21.064 -24.260 1.00 51.20 N ATOM 309 CA LYS A 29 21.471 21.787 -24.783 1.00 53.72 C ATOM 310 C LYS A 29 21.154 23.227 -25.164 1.00 52.50 C ATOM 311 O LYS A 29 22.075 23.968 -25.520 1.00 53.90 O ATOM 312 CB LYS A 29 22.043 21.038 -25.985 1.00 60.20 C ATOM 313 CG LYS A 29 22.799 19.781 -25.588 1.00 65.38 C ATOM 314 CD LYS A 29 22.950 18.814 -26.744 1.00 74.12 C ATOM 315 CE LYS A 29 23.603 17.519 -26.287 1.00 79.34 C ATOM 316 NZ LYS A 29 23.647 16.496 -27.368 1.00 86.03 N ATOM 317 HZ1 LYS A 29 22.678 16.277 -27.676 1.00 0.00 H ATOM 318 HZ2 LYS A 29 24.193 16.866 -28.172 1.00 0.00 H ATOM 319 HZ3 LYS A 29 24.101 15.632 -27.008 1.00 0.00 H ATOM 320 H LYS A 29 19.757 20.469 -24.901 1.00 0.00 H ATOM 321 N ILE A 30 19.895 23.644 -25.080 1.00 53.10 N ATOM 322 CA ILE A 30 19.499 25.029 -25.308 1.00 52.16 C ATOM 323 C ILE A 30 19.034 25.689 -24.015 1.00 49.67 C ATOM 324 O ILE A 30 19.498 26.774 -23.661 1.00 52.25 O ATOM 325 CB ILE A 30 18.410 25.117 -26.402 1.00 54.36 C ATOM 326 CG1 ILE A 30 19.006 24.707 -27.752 1.00 56.82 C ATOM 327 CG2 ILE A 30 17.819 26.529 -26.468 1.00 54.82 C ATOM 328 CD1 ILE A 30 18.025 24.728 -28.904 1.00 59.63 C ATOM 329 H ILE A 30 19.158 22.951 -24.841 1.00 0.00 H ATOM 330 N GLU A 31 18.110 25.048 -23.298 1.00 45.11 N ATOM 331 CA GLU A 31 17.665 25.538 -21.993 1.00 43.29 C ATOM 332 C GLU A 31 18.600 24.987 -20.915 1.00 41.15 C ATOM 333 O GLU A 31 18.245 24.138 -20.096 1.00 39.93 O ATOM 334 CB GLU A 31 16.212 25.152 -21.741 1.00 43.56 C ATOM 335 CG GLU A 31 15.231 25.748 -22.757 1.00 46.11 C ATOM 336 CD GLU A 31 15.185 27.266 -22.692 1.00 51.15 C ATOM 337 OE1 GLU A 31 15.545 27.836 -21.637 1.00 52.31 O ATOM 338 OE2 GLU A 31 14.804 27.894 -23.696 1.00 57.29 O ATOM 339 H GLU A 31 17.693 24.174 -23.678 1.00 0.00 H ATOM 340 N THR A 32 19.831 25.501 -20.936 1.00 45.90 N ATOM 341 CA THR A 32 20.892 24.936 -20.109 1.00 44.95 C ATOM 342 C THR A 32 20.762 25.359 -18.650 1.00 42.16 C ATOM 343 O THR A 32 21.016 24.556 -17.745 1.00 39.96 O ATOM 344 CB THR A 32 22.257 25.349 -20.658 1.00 47.73 C ATOM 345 OG1 THR A 32 22.396 26.773 -20.589 1.00 50.14 O ATOM 346 CG2 THR A 32 22.389 24.913 -22.102 1.00 49.81 C ATOM 347 HG1 THR A 32 23.282 27.035 -20.946 1.00 0.00 H ATOM 348 H THR A 32 20.037 26.315 -21.550 1.00 0.00 H ATOM 349 N ASN A 33 20.388 26.614 -18.396 1.00 44.70 N ATOM 350 CA ASN A 33 20.144 27.031 -17.020 1.00 42.63 C ATOM 351 C ASN A 33 19.018 26.212 -16.400 1.00 40.28 C ATOM 352 O ASN A 33 19.115 25.782 -15.245 1.00 38.38 O ATOM 353 CB ASN A 33 19.818 28.524 -16.965 1.00 45.48 C ATOM 354 CG ASN A 33 21.043 29.401 -17.164 1.00 49.76 C ATOM 355 OD1 ASN A 33 22.180 28.956 -16.985 1.00 49.65 O ATOM 356 ND2 ASN A 33 20.815 30.656 -17.534 1.00 52.21 N ATOM 357 HD22 ASN A 33 19.839 30.988 -17.673 1.00 0.00 H ATOM 358 HD21 ASN A 33 21.612 31.307 -17.684 1.00 0.00 H ATOM 359 H ASN A 33 20.271 27.292 -19.176 1.00 0.00 H ATOM 360 N LYS A 34 17.957 25.957 -17.165 1.00 39.08 N ATOM 361 CA LYS A 34 16.882 25.104 -16.666 1.00 39.44 C ATOM 362 C LYS A 34 17.358 23.669 -16.479 1.00 36.20 C ATOM 363 O LYS A 34 16.935 22.984 -15.541 1.00 33.46 O ATOM 364 CB LYS A 34 15.692 25.157 -17.625 1.00 44.74 C ATOM 365 CG LYS A 34 14.470 24.414 -17.115 1.00 47.97 C ATOM 366 CD LYS A 34 13.223 24.798 -17.895 1.00 54.43 C ATOM 367 CE LYS A 34 11.973 24.254 -17.222 1.00 56.06 C ATOM 368 NZ LYS A 34 10.925 23.875 -18.192 1.00 59.67 N ATOM 369 HZ1 LYS A 34 10.651 24.710 -18.749 1.00 0.00 H ATOM 370 HZ2 LYS A 34 11.293 23.138 -18.828 1.00 0.00 H ATOM 371 HZ3 LYS A 34 10.096 23.511 -17.680 1.00 0.00 H ATOM 372 H LYS A 34 17.895 26.366 -18.119 1.00 0.00 H ATOM 373 N PHE A 35 18.230 23.195 -17.369 1.00 37.15 N ATOM 374 CA PHE A 35 18.820 21.869 -17.217 1.00 36.44 C ATOM 375 C PHE A 35 19.531 21.744 -15.875 1.00 34.98 C ATOM 376 O PHE A 35 19.311 20.787 -15.121 1.00 33.69 O ATOM 377 CB PHE A 35 19.789 21.624 -18.380 1.00 39.40 C ATOM 378 CG PHE A 35 20.340 20.225 -18.455 1.00 40.83 C ATOM 379 CD1 PHE A 35 19.700 19.166 -17.837 1.00 40.94 C ATOM 380 CD2 PHE A 35 21.503 19.972 -19.170 1.00 44.61 C ATOM 381 CE1 PHE A 35 20.209 17.886 -17.922 1.00 42.56 C ATOM 382 CE2 PHE A 35 22.017 18.691 -19.259 1.00 45.94 C ATOM 383 CZ PHE A 35 21.369 17.648 -18.637 1.00 45.00 C ATOM 384 H PHE A 35 18.495 23.781 -18.187 1.00 0.00 H ATOM 385 N ALA A 36 20.376 22.724 -15.547 1.00 35.51 N ATOM 386 CA ALA A 36 21.090 22.695 -14.273 1.00 33.29 C ATOM 387 C ALA A 36 20.142 22.843 -13.089 1.00 30.77 C ATOM 388 O ALA A 36 20.383 22.258 -12.026 1.00 30.38 O ATOM 389 CB ALA A 36 22.145 23.798 -14.245 1.00 35.16 C ATOM 390 H ALA A 36 20.527 23.515 -16.205 1.00 0.00 H ATOM 391 N ALA A 37 19.068 23.620 -13.244 1.00 31.01 N ATOM 392 CA ALA A 37 18.107 23.777 -12.157 1.00 31.80 C ATOM 393 C ALA A 37 17.338 22.486 -11.906 1.00 33.16 C ATOM 394 O ALA A 37 17.049 22.144 -10.752 1.00 32.45 O ATOM 395 CB ALA A 37 17.144 24.920 -12.476 1.00 31.92 C ATOM 396 H ALA A 37 18.915 24.117 -14.145 1.00 0.00 H ATOM 397 N ILE A 38 16.987 21.760 -12.972 1.00 33.95 N ATOM 398 CA ILE A 38 16.294 20.483 -12.813 1.00 30.77 C ATOM 399 C ILE A 38 17.184 19.484 -12.088 1.00 30.84 C ATOM 400 O ILE A 38 16.730 18.758 -11.194 1.00 28.37 O ATOM 401 CB ILE A 38 15.839 19.947 -14.185 1.00 32.46 C ATOM 402 CG1 ILE A 38 14.731 20.833 -14.761 1.00 32.95 C ATOM 403 CG2 ILE A 38 15.362 18.491 -14.075 1.00 30.71 C ATOM 404 CD1 ILE A 38 14.403 20.548 -16.202 1.00 36.58 C ATOM 405 H ILE A 38 17.210 22.108 -13.926 1.00 0.00 H ATOM 406 N CYS A 39 18.460 19.411 -12.475 1.00 31.13 N ATOM 407 CA CYS A 39 19.380 18.495 -11.807 1.00 30.31 C ATOM 408 C CYS A 39 19.543 18.853 -10.335 1.00 28.31 C ATOM 409 O CYS A 39 19.553 17.968 -9.471 1.00 26.51 O ATOM 410 CB CYS A 39 20.741 18.502 -12.502 1.00 31.99 C ATOM 411 SG CYS A 39 20.766 17.709 -14.124 1.00 35.11 S ATOM 412 H CYS A 39 18.800 20.009 -13.255 1.00 0.00 H ATOM 413 N THR A 40 19.691 20.144 -10.035 1.00 30.23 N ATOM 414 CA THR A 40 19.819 20.579 -8.647 1.00 27.64 C ATOM 415 C THR A 40 18.588 20.182 -7.843 1.00 27.85 C ATOM 416 O THR A 40 18.701 19.568 -6.776 1.00 27.81 O ATOM 417 CB THR A 40 20.030 22.092 -8.590 1.00 28.37 C ATOM 418 OG1 THR A 40 21.202 22.450 -9.335 1.00 32.44 O ATOM 419 CG2 THR A 40 20.190 22.570 -7.143 1.00 27.43 C ATOM 420 HG1 THR A 40 21.090 22.171 -10.278 1.00 0.00 H ATOM 421 H THR A 40 19.716 20.849 -10.799 1.00 0.00 H ATOM 422 N HIS A 41 17.401 20.533 -8.342 1.00 26.24 N ATOM 423 CA HIS A 41 16.160 20.192 -7.648 1.00 27.08 C ATOM 424 C HIS A 41 16.048 18.688 -7.428 1.00 29.07 C ATOM 425 O HIS A 41 15.710 18.231 -6.328 1.00 29.77 O ATOM 426 CB HIS A 41 14.968 20.728 -8.444 1.00 29.33 C ATOM 427 CG HIS A 41 13.630 20.331 -7.900 1.00 29.69 C ATOM 428 ND1 HIS A 41 12.982 19.178 -8.286 1.00 29.87 N ATOM 429 CD2 HIS A 41 12.806 20.948 -7.020 1.00 28.18 C ATOM 430 CE1 HIS A 41 11.822 19.095 -7.659 1.00 27.93 C ATOM 431 NE2 HIS A 41 11.688 20.160 -6.890 1.00 26.07 N ATOM 432 H HIS A 41 17.358 21.058 -9.239 1.00 0.00 H ATOM 433 N LEU A 42 16.345 17.894 -8.459 1.00 28.96 N ATOM 434 CA LEU A 42 16.232 16.446 -8.323 1.00 27.75 C ATOM 435 C LEU A 42 17.206 15.913 -7.278 1.00 28.19 C ATOM 436 O LEU A 42 16.848 15.051 -6.465 1.00 28.21 O ATOM 437 CB LEU A 42 16.461 15.768 -9.675 1.00 29.73 C ATOM 438 CG LEU A 42 16.323 14.242 -9.703 1.00 31.68 C ATOM 439 CD1 LEU A 42 14.955 13.790 -9.220 1.00 32.73 C ATOM 440 CD2 LEU A 42 16.579 13.708 -11.102 1.00 32.83 C ATOM 441 H LEU A 42 16.657 18.308 -9.360 1.00 0.00 H ATOM 442 N GLU A 43 18.447 16.398 -7.293 1.00 28.82 N ATOM 443 CA GLU A 43 19.415 15.948 -6.298 1.00 29.77 C ATOM 444 C GLU A 43 18.958 16.305 -4.889 1.00 28.82 C ATOM 445 O GLU A 43 19.144 15.521 -3.951 1.00 28.26 O ATOM 446 CB GLU A 43 20.788 16.553 -6.581 1.00 32.52 C ATOM 447 CG GLU A 43 21.871 16.014 -5.662 1.00 38.78 C ATOM 448 CD GLU A 43 23.251 16.522 -6.011 1.00 46.30 C ATOM 449 OE1 GLU A 43 23.370 17.681 -6.457 1.00 47.52 O ATOM 450 OE2 GLU A 43 24.223 15.754 -5.852 1.00 51.25 O ATOM 451 H GLU A 43 18.725 17.096 -8.012 1.00 0.00 H ATOM 452 N VAL A 44 18.361 17.486 -4.716 1.00 28.57 N ATOM 453 CA VAL A 44 17.841 17.855 -3.404 1.00 28.35 C ATOM 454 C VAL A 44 16.760 16.874 -2.975 1.00 27.84 C ATOM 455 O VAL A 44 16.702 16.461 -1.809 1.00 28.16 O ATOM 456 CB VAL A 44 17.327 19.307 -3.420 1.00 27.41 C ATOM 457 CG1 VAL A 44 16.604 19.641 -2.124 1.00 26.80 C ATOM 458 CG2 VAL A 44 18.482 20.266 -3.619 1.00 27.92 C ATOM 459 H VAL A 44 18.267 18.143 -5.516 1.00 0.00 H ATOM 460 N CYS A 45 15.903 16.463 -3.912 1.00 27.19 N ATOM 461 CA CYS A 45 14.873 15.481 -3.587 1.00 26.78 C ATOM 462 C CYS A 45 15.490 14.166 -3.119 1.00 27.72 C ATOM 463 O CYS A 45 15.029 13.570 -2.138 1.00 27.35 O ATOM 464 CB CYS A 45 13.968 15.255 -4.800 1.00 26.30 C ATOM 465 SG CYS A 45 12.876 16.657 -5.187 1.00 28.26 S ATOM 466 H CYS A 45 15.969 16.844 -4.877 1.00 0.00 H ATOM 467 N PHE A 46 16.529 13.690 -3.813 1.00 28.00 N ATOM 468 CA PHE A 46 17.200 12.460 -3.403 1.00 29.25 C ATOM 469 C PHE A 46 17.883 12.628 -2.049 1.00 31.17 C ATOM 470 O PHE A 46 17.760 11.767 -1.170 1.00 32.61 O ATOM 471 CB PHE A 46 18.230 12.039 -4.460 1.00 33.86 C ATOM 472 CG PHE A 46 17.629 11.483 -5.734 1.00 38.51 C ATOM 473 CD1 PHE A 46 16.329 11.016 -5.776 1.00 40.59 C ATOM 474 CD2 PHE A 46 18.386 11.423 -6.893 1.00 42.71 C ATOM 475 CE1 PHE A 46 15.794 10.504 -6.950 1.00 43.21 C ATOM 476 CE2 PHE A 46 17.852 10.911 -8.069 1.00 44.94 C ATOM 477 CZ PHE A 46 16.557 10.453 -8.092 1.00 44.15 C ATOM 478 H PHE A 46 16.863 14.202 -4.654 1.00 0.00 H ATOM 479 N MET A 47 18.613 13.731 -1.863 1.00 28.84 N ATOM 480 CA MET A 47 19.292 13.959 -0.590 1.00 30.52 C ATOM 481 C MET A 47 18.304 14.102 0.560 1.00 29.78 C ATOM 482 O MET A 47 18.615 13.722 1.695 1.00 28.46 O ATOM 483 CB MET A 47 20.167 15.205 -0.677 1.00 32.92 C ATOM 484 CG MET A 47 21.346 15.066 -1.628 1.00 34.46 C ATOM 485 SD MET A 47 22.386 16.529 -1.617 1.00 36.06 S ATOM 486 CE MET A 47 23.129 16.425 0.010 1.00 39.76 C ATOM 487 H MET A 47 18.698 14.431 -2.628 1.00 0.00 H ATOM 488 N TYR A 48 17.128 14.674 0.292 1.00 32.92 N ATOM 489 CA TYR A 48 16.088 14.783 1.308 1.00 32.95 C ATOM 490 C TYR A 48 15.673 13.412 1.824 1.00 36.23 C ATOM 491 O TYR A 48 15.369 13.259 3.013 1.00 37.89 O ATOM 492 CB TYR A 48 14.886 15.518 0.715 1.00 32.71 C ATOM 493 CG TYR A 48 13.978 16.216 1.705 1.00 31.26 C ATOM 494 CD1 TYR A 48 12.943 15.533 2.330 1.00 30.59 C ATOM 495 CD2 TYR A 48 14.135 17.564 1.986 1.00 31.19 C ATOM 496 CE1 TYR A 48 12.099 16.174 3.217 1.00 30.72 C ATOM 497 CE2 TYR A 48 13.300 18.211 2.873 1.00 32.26 C ATOM 498 CZ TYR A 48 12.284 17.512 3.486 1.00 32.08 C ATOM 499 OH TYR A 48 11.451 18.163 4.366 1.00 32.06 O ATOM 500 HH TYR A 48 10.991 18.903 3.897 1.00 0.00 H ATOM 501 H TYR A 48 16.950 15.050 -0.661 1.00 0.00 H ATOM 502 N SER A 49 15.677 12.403 0.951 1.00 38.47 N ATOM 503 CA SER A 49 15.235 11.060 1.298 1.00 41.04 C ATOM 504 C SER A 49 16.373 10.143 1.725 1.00 39.50 C ATOM 505 O SER A 49 16.118 9.145 2.408 1.00 41.99 O ATOM 506 CB SER A 49 14.511 10.424 0.107 1.00 47.26 C ATOM 507 OG SER A 49 14.228 9.057 0.359 1.00 52.77 O ATOM 508 HG SER A 49 13.651 8.983 1.160 1.00 0.00 H ATOM 509 H SER A 49 16.010 12.583 -0.018 1.00 0.00 H ATOM 510 N ASP A 50 17.612 10.454 1.348 1.00 47.77 N ATOM 511 CA ASP A 50 18.738 9.580 1.658 1.00 47.65 C ATOM 512 C ASP A 50 18.822 9.298 3.152 1.00 46.32 C ATOM 513 O ASP A 50 18.739 10.213 3.976 1.00 45.22 O ATOM 514 CB ASP A 50 20.054 10.207 1.192 1.00 49.26 C ATOM 515 CG ASP A 50 20.274 10.086 -0.298 1.00 52.77 C ATOM 516 OD1 ASP A 50 19.706 9.161 -0.920 1.00 55.34 O ATOM 517 OD2 ASP A 50 21.038 10.909 -0.844 1.00 53.72 O ATOM 518 H ASP A 50 17.780 11.336 0.823 1.00 0.00 H ATOM 519 N PHE A 51 18.987 8.023 3.494 1.00 48.34 N ATOM 520 CA PHE A 51 19.343 7.547 4.829 1.00 50.64 C ATOM 521 C PHE A 51 18.157 7.488 5.784 1.00 48.89 C ATOM 522 O PHE A 51 18.344 7.070 6.929 1.00 51.18 O ATOM 523 CB PHE A 51 20.438 8.412 5.475 1.00 54.94 C ATOM 524 CG PHE A 51 21.614 8.676 4.573 1.00 57.79 C ATOM 525 CD1 PHE A 51 22.156 7.660 3.803 1.00 60.31 C ATOM 526 CD2 PHE A 51 22.161 9.947 4.480 1.00 56.66 C ATOM 527 CE1 PHE A 51 23.233 7.901 2.970 1.00 60.25 C ATOM 528 CE2 PHE A 51 23.236 10.195 3.645 1.00 56.27 C ATOM 529 CZ PHE A 51 23.772 9.171 2.889 1.00 57.83 C ATOM 530 H PHE A 51 18.852 7.307 2.752 1.00 0.00 H ATOM 531 N HIS A 52 16.957 7.891 5.376 1.00 46.69 N ATOM 532 CA HIS A 52 15.805 7.911 6.269 1.00 47.31 C ATOM 533 C HIS A 52 14.980 6.648 6.067 1.00 52.15 C ATOM 534 O HIS A 52 14.497 6.383 4.960 1.00 51.05 O ATOM 535 CB HIS A 52 14.955 9.158 6.039 1.00 45.53 C ATOM 536 CG HIS A 52 15.605 10.417 6.514 1.00 47.86 C ATOM 537 ND1 HIS A 52 16.347 11.232 5.686 1.00 50.13 N ATOM 538 CD2 HIS A 52 15.639 10.994 7.738 1.00 49.87 C ATOM 539 CE1 HIS A 52 16.806 12.259 6.378 1.00 50.43 C ATOM 540 NE2 HIS A 52 16.392 12.138 7.627 1.00 51.17 N ATOM 541 H HIS A 52 16.837 8.201 4.391 1.00 0.00 H ATOM 542 N PHE A 53 14.810 5.884 7.141 1.00 57.74 N ATOM 543 CA PHE A 53 14.082 4.627 7.111 1.00 61.98 C ATOM 544 C PHE A 53 13.068 4.612 8.244 1.00 63.33 C ATOM 545 O PHE A 53 13.016 5.517 9.081 1.00 62.93 O ATOM 546 CB PHE A 53 15.027 3.422 7.243 1.00 62.00 C ATOM 547 CG PHE A 53 16.057 3.334 6.156 1.00 58.45 C ATOM 548 CD1 PHE A 53 17.240 4.050 6.243 1.00 57.49 C ATOM 549 CD2 PHE A 53 15.848 2.526 5.051 1.00 56.61 C ATOM 550 CE1 PHE A 53 18.191 3.969 5.242 1.00 56.58 C ATOM 551 CE2 PHE A 53 16.796 2.442 4.046 1.00 55.96 C ATOM 552 CZ PHE A 53 17.967 3.161 4.142 1.00 56.07 C ATOM 553 H PHE A 53 15.217 6.200 8.044 1.00 0.00 H ATOM 554 N ILE A 54 12.260 3.558 8.263 1.00 62.96 N ATOM 555 CA ILE A 54 11.380 3.254 9.381 1.00 66.50 C ATOM 556 C ILE A 54 11.726 1.854 9.863 1.00 70.04 C ATOM 557 O ILE A 54 11.780 0.914 9.061 1.00 66.71 O ATOM 558 CB ILE A 54 9.896 3.357 8.984 1.00 65.37 C ATOM 559 CG1 ILE A 54 9.557 4.802 8.611 1.00 61.43 C ATOM 560 CG2 ILE A 54 9.004 2.872 10.126 1.00 67.40 C ATOM 561 CD1 ILE A 54 8.207 4.967 7.952 1.00 60.29 C ATOM 562 H ILE A 54 12.256 2.921 7.441 1.00 0.00 H ATOM 563 N ASP A 55 11.968 1.720 11.165 1.00 82.17 N ATOM 564 CA ASP A 55 12.567 0.514 11.715 1.00 91.06 C ATOM 565 C ASP A 55 11.486 -0.530 12.002 1.00 98.12 C ATOM 566 O ASP A 55 10.314 -0.362 11.653 1.00 96.44 O ATOM 567 CB ASP A 55 13.382 0.852 12.965 1.00 93.97 C ATOM 568 CG ASP A 55 12.564 1.561 14.028 1.00 94.22 C ATOM 569 OD1 ASP A 55 11.320 1.451 14.006 1.00 94.33 O ATOM 570 OD2 ASP A 55 13.168 2.226 14.896 1.00 94.11 O ATOM 571 H ASP A 55 11.722 2.500 11.807 1.00 0.00 H ATOM 572 N GLU A 56 11.886 -1.631 12.647 1.00107.76 N ATOM 573 CA GLU A 56 10.942 -2.691 12.989 1.00114.29 C ATOM 574 C GLU A 56 9.820 -2.191 13.891 1.00119.28 C ATOM 575 O GLU A 56 8.692 -2.689 13.806 1.00121.44 O ATOM 576 CB GLU A 56 11.680 -3.852 13.659 1.00116.59 C ATOM 577 CG GLU A 56 12.743 -4.498 12.784 1.00114.16 C ATOM 578 CD GLU A 56 14.144 -4.030 13.125 1.00111.60 C ATOM 579 OE1 GLU A 56 14.604 -4.303 14.255 1.00113.80 O ATOM 580 OE2 GLU A 56 14.785 -3.390 12.265 1.00107.27 O ATOM 581 H GLU A 56 12.887 -1.734 12.910 1.00 0.00 H ATOM 582 N ARG A 57 10.103 -1.227 14.768 1.00120.88 N ATOM 583 CA ARG A 57 9.077 -0.707 15.666 1.00123.56 C ATOM 584 C ARG A 57 8.145 0.294 14.993 1.00120.08 C ATOM 585 O ARG A 57 7.144 0.686 15.603 1.00119.33 O ATOM 586 CB ARG A 57 9.723 -0.060 16.893 1.00126.92 C ATOM 587 CG ARG A 57 10.513 -1.028 17.763 1.00132.07 C ATOM 588 CD ARG A 57 11.067 -0.346 19.007 1.00134.51 C ATOM 589 NE ARG A 57 12.084 0.658 18.692 1.00132.61 N ATOM 590 CZ ARG A 57 11.840 1.952 18.499 1.00130.03 C ATOM 591 NH1 ARG A 57 10.604 2.430 18.580 1.00129.35 N ATOM 592 NH2 ARG A 57 12.839 2.777 18.217 1.00128.05 N ATOM 593 HE ARG A 57 13.070 0.337 18.613 1.00 0.00 H ATOM 594 HH12 ARG A 57 10.427 3.443 18.427 1.00 0.00 H ATOM 595 HH11 ARG A 57 9.813 1.791 18.797 1.00 0.00 H ATOM 596 HH22 ARG A 57 12.651 3.789 18.066 1.00 0.00 H ATOM 597 HH21 ARG A 57 13.811 2.412 18.147 1.00 0.00 H ATOM 598 H ARG A 57 11.068 -0.841 14.813 1.00 0.00 H ATOM 599 N GLY A 58 8.442 0.715 13.766 1.00123.08 N ATOM 600 CA GLY A 58 7.580 1.632 13.049 1.00120.61 C ATOM 601 C GLY A 58 7.840 3.102 13.285 1.00117.23 C ATOM 602 O GLY A 58 6.920 3.910 13.114 1.00118.77 O ATOM 603 H GLY A 58 9.314 0.377 13.311 1.00 0.00 H ATOM 604 N GLU A 59 9.055 3.479 13.674 1.00104.26 N ATOM 605 CA GLU A 59 9.416 4.872 13.892 1.00 94.31 C ATOM 606 C GLU A 59 10.614 5.226 13.018 1.00 86.61 C ATOM 607 O GLU A 59 11.270 4.358 12.437 1.00 83.87 O ATOM 608 CB GLU A 59 9.722 5.143 15.370 1.00 95.93 C ATOM 609 CG GLU A 59 9.389 6.555 15.823 1.00 93.41 C ATOM 610 CD GLU A 59 9.442 6.710 17.331 1.00 95.26 C ATOM 611 OE1 GLU A 59 9.386 5.682 18.040 1.00 97.21 O ATOM 612 OE2 GLU A 59 9.540 7.859 17.808 1.00 94.97 O ATOM 613 H GLU A 59 9.778 2.747 13.829 1.00 0.00 H ATOM 614 N SER A 60 10.900 6.522 12.935 1.00 85.71 N ATOM 615 CA SER A 60 11.901 7.021 12.001 1.00 83.02 C ATOM 616 C SER A 60 13.301 6.936 12.593 1.00 80.08 C ATOM 617 O SER A 60 13.504 7.165 13.789 1.00 84.58 O ATOM 618 CB SER A 60 11.592 8.467 11.622 1.00 82.72 C ATOM 619 OG SER A 60 12.546 8.962 10.700 1.00 82.97 O ATOM 620 HG SER A 60 12.325 9.899 10.470 1.00 0.00 H ATOM 621 H SER A 60 10.398 7.194 13.550 1.00 0.00 H ATOM 622 N ILE A 61 14.273 6.609 11.738 1.00 69.10 N ATOM 623 CA ILE A 61 15.673 6.537 12.139 1.00 66.26 C ATOM 624 C ILE A 61 16.539 6.799 10.915 1.00 62.32 C ATOM 625 O ILE A 61 16.097 6.665 9.771 1.00 58.29 O ATOM 626 CB ILE A 61 16.017 5.168 12.779 1.00 70.45 C ATOM 627 CG1 ILE A 61 17.448 5.148 13.336 1.00 75.87 C ATOM 628 CG2 ILE A 61 15.836 4.043 11.768 1.00 68.71 C ATOM 629 CD1 ILE A 61 17.747 6.229 14.371 1.00 79.29 C ATOM 630 H ILE A 61 14.023 6.398 10.751 1.00 0.00 H ATOM 631 N ILE A 62 17.786 7.186 11.167 1.00 65.27 N ATOM 632 CA ILE A 62 18.751 7.509 10.125 1.00 67.54 C ATOM 633 C ILE A 62 19.816 6.423 10.106 1.00 76.83 C ATOM 634 O ILE A 62 20.326 6.026 11.160 1.00 86.80 O ATOM 635 CB ILE A 62 19.378 8.896 10.349 1.00 62.59 C ATOM 636 CG1 ILE A 62 18.293 9.978 10.354 1.00 58.63 C ATOM 637 CG2 ILE A 62 20.413 9.198 9.275 1.00 60.57 C ATOM 638 CD1 ILE A 62 18.725 11.284 10.987 1.00 56.78 C ATOM 639 H ILE A 62 18.088 7.262 12.159 1.00 0.00 H ATOM 640 N VAL A 63 20.146 5.941 8.910 1.00 64.16 N ATOM 641 CA VAL A 63 21.200 4.950 8.712 1.00 70.86 C ATOM 642 C VAL A 63 22.082 5.488 7.593 1.00 75.98 C ATOM 643 O VAL A 63 21.786 5.285 6.410 1.00 63.29 O ATOM 644 CB VAL A 63 20.646 3.564 8.367 1.00 81.18 C ATOM 645 CG1 VAL A 63 21.774 2.544 8.288 1.00 96.85 C ATOM 646 CG2 VAL A 63 19.605 3.135 9.392 1.00 82.18 C ATOM 647 H VAL A 63 19.628 6.287 8.077 1.00 0.00 H ATOM 648 N GLU A 64 23.175 6.155 7.959 1.00113.17 N ATOM 649 CA GLU A 64 24.044 6.818 6.994 1.00122.93 C ATOM 650 C GLU A 64 25.039 5.875 6.332 1.00123.99 C ATOM 651 O GLU A 64 25.846 6.332 5.515 1.00123.61 O ATOM 652 CB GLU A 64 24.802 7.965 7.671 1.00126.12 C ATOM 653 CG GLU A 64 23.947 9.191 7.949 1.00126.45 C ATOM 654 CD GLU A 64 24.716 10.291 8.651 1.00127.46 C ATOM 655 OE1 GLU A 64 25.925 10.441 8.376 1.00128.06 O ATOM 656 OE2 GLU A 64 24.113 11.004 9.481 1.00127.39 O ATOM 657 H GLU A 64 23.417 6.205 8.969 1.00 0.00 H ATOM 658 N SER A 65 25.006 4.588 6.653 1.00115.63 N ATOM 659 CA SER A 65 25.866 3.607 6.010 1.00115.28 C ATOM 660 C SER A 65 25.100 2.876 4.915 1.00115.17 C ATOM 661 O SER A 65 23.871 2.777 4.941 1.00113.33 O ATOM 662 CB SER A 65 26.401 2.601 7.033 1.00117.21 C ATOM 663 OG SER A 65 25.343 1.866 7.625 1.00118.14 O ATOM 664 HG SER A 65 24.851 1.373 6.921 1.00 0.00 H ATOM 665 H SER A 65 24.343 4.270 7.389 1.00 0.00 H ATOM 666 N GLY A 66 25.849 2.355 3.946 1.00121.09 N ATOM 667 CA GLY A 66 25.247 1.699 2.803 1.00124.61 C ATOM 668 C GLY A 66 24.874 0.258 3.080 1.00130.67 C ATOM 669 O GLY A 66 24.865 -0.577 2.171 1.00131.42 O ATOM 670 H GLY A 66 26.885 2.420 4.010 1.00 0.00 H ATOM 671 N ASP A 67 24.561 -0.043 4.339 1.00138.57 N ATOM 672 CA ASP A 67 24.133 -1.375 4.762 1.00144.35 C ATOM 673 C ASP A 67 22.831 -1.230 5.539 1.00143.42 C ATOM 674 O ASP A 67 22.826 -1.198 6.777 1.00143.73 O ATOM 675 CB ASP A 67 25.222 -2.067 5.585 1.00151.24 C ATOM 676 CG ASP A 67 25.734 -1.207 6.730 1.00154.57 C ATOM 677 OD1 ASP A 67 25.044 -0.245 7.126 1.00153.97 O ATOM 678 OD2 ASP A 67 26.838 -1.498 7.237 1.00157.52 O ATOM 679 H ASP A 67 24.624 0.707 5.057 1.00 0.00 H ATOM 680 N PRO A 68 21.699 -1.158 4.840 1.00146.30 N ATOM 681 CA PRO A 68 20.415 -1.020 5.539 1.00144.53 C ATOM 682 C PRO A 68 19.808 -2.375 5.855 1.00141.63 C ATOM 683 O PRO A 68 19.605 -3.195 4.953 1.00145.13 O ATOM 684 CB PRO A 68 19.545 -0.246 4.539 1.00143.99 C ATOM 685 CG PRO A 68 20.179 -0.506 3.214 1.00144.40 C ATOM 686 CD PRO A 68 21.641 -0.595 3.481 1.00145.25 C ATOM 687 N ASN A 69 19.523 -2.624 7.131 1.00130.40 N ATOM 688 CA ASN A 69 18.950 -3.902 7.527 1.00121.78 C ATOM 689 C ASN A 69 17.676 -4.177 6.738 1.00106.53 C ATOM 690 O ASN A 69 16.898 -3.266 6.442 1.00104.93 O ATOM 691 CB ASN A 69 18.653 -3.901 9.027 1.00126.57 C ATOM 692 CG ASN A 69 19.913 -3.876 9.869 1.00131.24 C ATOM 693 OD1 ASN A 69 21.002 -4.187 9.386 1.00132.67 O ATOM 694 ND2 ASN A 69 19.771 -3.507 11.136 1.00133.56 N ATOM 695 HD22 ASN A 69 18.831 -3.253 11.501 1.00 0.00 H ATOM 696 HD21 ASN A 69 20.600 -3.472 11.763 1.00 0.00 H ATOM 697 H ASN A 69 19.712 -1.899 7.852 1.00 0.00 H ATOM 698 N ALA A 70 17.469 -5.450 6.396 1.00 89.60 N ATOM 699 CA ALA A 70 16.457 -5.794 5.404 1.00 77.98 C ATOM 700 C ALA A 70 15.053 -5.444 5.879 1.00 75.53 C ATOM 701 O ALA A 70 14.172 -5.163 5.057 1.00 73.07 O ATOM 702 CB ALA A 70 16.550 -7.279 5.064 1.00 75.10 C ATOM 703 H ALA A 70 18.033 -6.202 6.840 1.00 0.00 H ATOM 704 N LEU A 71 14.821 -5.460 7.191 1.00 71.35 N ATOM 705 CA LEU A 71 13.504 -5.168 7.744 1.00 71.32 C ATOM 706 C LEU A 71 13.177 -3.681 7.756 1.00 68.27 C ATOM 707 O LEU A 71 12.073 -3.310 8.170 1.00 68.00 O ATOM 708 CB LEU A 71 13.402 -5.727 9.165 1.00 74.59 C ATOM 709 CG LEU A 71 13.557 -7.244 9.303 1.00 78.00 C ATOM 710 CD1 LEU A 71 13.464 -7.658 10.765 1.00 81.20 C ATOM 711 CD2 LEU A 71 12.525 -7.991 8.468 1.00 78.25 C ATOM 712 H LEU A 71 15.602 -5.687 7.839 1.00 0.00 H ATOM 713 N LEU A 72 14.095 -2.828 7.312 1.00 72.32 N ATOM 714 CA LEU A 72 13.842 -1.397 7.261 1.00 72.43 C ATOM 715 C LEU A 72 13.117 -1.036 5.972 1.00 68.86 C ATOM 716 O LEU A 72 13.393 -1.600 4.910 1.00 70.38 O ATOM 717 CB LEU A 72 15.157 -0.620 7.348 1.00 73.11 C ATOM 718 CG LEU A 72 16.094 -0.972 8.506 1.00 77.36 C ATOM 719 CD1 LEU A 72 17.460 -0.331 8.307 1.00 76.79 C ATOM 720 CD2 LEU A 72 15.491 -0.554 9.834 1.00 78.15 C ATOM 721 H LEU A 72 15.015 -3.193 6.994 1.00 0.00 H ATOM 722 N LYS A 73 12.186 -0.093 6.070 1.00 64.71 N ATOM 723 CA LYS A 73 11.511 0.459 4.906 1.00 62.38 C ATOM 724 C LYS A 73 11.871 1.931 4.746 1.00 56.45 C ATOM 725 O LYS A 73 11.975 2.667 5.732 1.00 53.47 O ATOM 726 CB LYS A 73 9.993 0.303 5.023 1.00 67.48 C ATOM 727 CG LYS A 73 9.237 0.722 3.763 1.00 69.29 C ATOM 728 CD LYS A 73 7.732 0.566 3.929 1.00 72.79 C ATOM 729 CE LYS A 73 7.143 1.635 4.839 1.00 73.55 C ATOM 730 NZ LYS A 73 5.737 1.960 4.465 1.00 73.01 N ATOM 731 HZ1 LYS A 73 5.712 2.311 3.486 1.00 0.00 H ATOM 732 HZ2 LYS A 73 5.152 1.103 4.542 1.00 0.00 H ATOM 733 HZ3 LYS A 73 5.369 2.691 5.106 1.00 0.00 H ATOM 734 H LYS A 73 11.931 0.263 7.013 1.00 0.00 H ATOM 735 N HIS A 74 12.063 2.350 3.498 1.00 58.39 N ATOM 736 CA HIS A 74 12.344 3.750 3.217 1.00 57.60 C ATOM 737 C HIS A 74 11.235 4.632 3.773 1.00 51.38 C ATOM 738 O HIS A 74 10.049 4.302 3.680 1.00 50.56 O ATOM 739 CB HIS A 74 12.487 3.971 1.710 1.00 63.43 C ATOM 740 CG HIS A 74 13.821 3.570 1.165 1.00 70.89 C ATOM 741 ND1 HIS A 74 14.902 4.425 1.138 1.00 73.53 N ATOM 742 CD2 HIS A 74 14.251 2.404 0.626 1.00 75.35 C ATOM 743 CE1 HIS A 74 15.939 3.805 0.604 1.00 75.62 C ATOM 744 NE2 HIS A 74 15.570 2.577 0.286 1.00 76.82 N ATOM 745 H HIS A 74 12.012 1.669 2.714 1.00 0.00 H ATOM 746 N ARG A 75 11.627 5.760 4.365 1.00 46.77 N ATOM 747 CA ARG A 75 10.647 6.679 4.929 1.00 44.83 C ATOM 748 C ARG A 75 9.924 7.478 3.858 1.00 41.92 C ATOM 749 O ARG A 75 8.752 7.824 4.039 1.00 41.33 O ATOM 750 CB ARG A 75 11.318 7.647 5.906 1.00 44.73 C ATOM 751 CG ARG A 75 10.424 8.819 6.294 1.00 43.29 C ATOM 752 CD ARG A 75 11.032 9.692 7.378 1.00 45.53 C ATOM 753 NE ARG A 75 10.214 10.879 7.609 1.00 45.54 N ATOM 754 CZ ARG A 75 10.496 11.827 8.497 1.00 47.59 C ATOM 755 NH1 ARG A 75 11.580 11.737 9.253 1.00 49.13 N ATOM 756 NH2 ARG A 75 9.687 12.869 8.631 1.00 46.34 N ATOM 757 HE ARG A 75 9.351 10.991 7.039 1.00 0.00 H ATOM 758 HH12 ARG A 75 11.794 12.483 9.946 1.00 0.00 H ATOM 759 HH11 ARG A 75 12.217 10.921 9.154 1.00 0.00 H ATOM 760 HH22 ARG A 75 9.906 13.612 9.325 1.00 0.00 H ATOM 761 HH21 ARG A 75 8.833 12.944 8.042 1.00 0.00 H ATOM 762 H ARG A 75 12.640 5.986 4.425 1.00 0.00 H ATOM 763 N PHE A 76 10.595 7.788 2.755 1.00 40.94 N ATOM 764 CA PHE A 76 10.050 8.659 1.725 1.00 39.91 C ATOM 765 C PHE A 76 9.830 7.896 0.429 1.00 42.24 C ATOM 766 O PHE A 76 10.652 7.063 0.034 1.00 44.07 O ATOM 767 CB PHE A 76 10.978 9.848 1.454 1.00 38.12 C ATOM 768 CG PHE A 76 11.082 10.816 2.599 1.00 38.62 C ATOM 769 CD1 PHE A 76 10.118 11.792 2.788 1.00 35.66 C ATOM 770 CD2 PHE A 76 12.147 10.753 3.482 1.00 39.18 C ATOM 771 CE1 PHE A 76 10.216 12.687 3.840 1.00 35.97 C ATOM 772 CE2 PHE A 76 12.248 11.646 4.532 1.00 40.17 C ATOM 773 CZ PHE A 76 11.279 12.612 4.710 1.00 38.40 C ATOM 774 H PHE A 76 11.548 7.393 2.622 1.00 0.00 H ATOM 775 N GLU A 77 8.704 8.174 -0.215 1.00 41.20 N ATOM 776 CA GLU A 77 8.505 7.799 -1.603 1.00 41.11 C ATOM 777 C GLU A 77 8.898 8.990 -2.467 1.00 36.98 C ATOM 778 O GLU A 77 8.573 10.137 -2.147 1.00 33.56 O ATOM 779 CB GLU A 77 7.050 7.402 -1.862 1.00 45.34 C ATOM 780 CG GLU A 77 6.849 6.572 -3.125 1.00 48.45 C ATOM 781 CD GLU A 77 7.172 5.105 -2.912 1.00 52.38 C ATOM 782 OE1 GLU A 77 6.550 4.476 -2.027 1.00 54.09 O ATOM 783 OE2 GLU A 77 8.053 4.584 -3.625 1.00 54.37 O ATOM 784 H GLU A 77 7.943 8.674 0.288 1.00 0.00 H ATOM 785 N ILE A 78 9.639 8.726 -3.535 1.00 36.16 N ATOM 786 CA ILE A 78 10.135 9.778 -4.411 1.00 33.98 C ATOM 787 C ILE A 78 9.268 9.804 -5.659 1.00 31.23 C ATOM 788 O ILE A 78 9.098 8.777 -6.327 1.00 32.61 O ATOM 789 CB ILE A 78 11.619 9.567 -4.755 1.00 37.25 C ATOM 790 CG1 ILE A 78 12.447 9.538 -3.465 1.00 42.40 C ATOM 791 CG2 ILE A 78 12.112 10.666 -5.678 1.00 35.36 C ATOM 792 CD1 ILE A 78 13.873 9.130 -3.654 1.00 45.72 C ATOM 793 H ILE A 78 9.873 7.737 -3.754 1.00 0.00 H ATOM 794 N ILE A 79 8.712 10.974 -5.964 1.00 31.31 N ATOM 795 CA ILE A 79 7.836 11.157 -7.112 1.00 32.99 C ATOM 796 C ILE A 79 8.534 11.914 -8.236 1.00 30.65 C ATOM 797 O ILE A 79 8.358 11.582 -9.410 1.00 28.51 O ATOM 798 CB ILE A 79 6.534 11.873 -6.692 1.00 34.34 C ATOM 799 CG1 ILE A 79 5.816 11.063 -5.610 1.00 39.24 C ATOM 800 CG2 ILE A 79 5.619 12.088 -7.896 1.00 34.67 C ATOM 801 CD1 ILE A 79 4.835 11.869 -4.809 1.00 40.54 C ATOM 802 H ILE A 79 8.912 11.793 -5.356 1.00 0.00 H ATOM 803 N GLU A 80 9.310 12.942 -7.899 1.00 30.25 N ATOM 804 CA GLU A 80 10.103 13.646 -8.899 1.00 28.95 C ATOM 805 C GLU A 80 11.097 12.688 -9.542 1.00 31.85 C ATOM 806 O GLU A 80 11.583 11.743 -8.913 1.00 33.85 O ATOM 807 CB GLU A 80 10.839 14.833 -8.262 1.00 29.03 C ATOM 808 CG GLU A 80 11.609 15.710 -9.253 1.00 29.29 C ATOM 809 CD GLU A 80 10.703 16.432 -10.237 1.00 30.20 C ATOM 810 OE1 GLU A 80 9.975 17.356 -9.823 1.00 29.19 O ATOM 811 OE2 GLU A 80 10.693 16.045 -11.420 1.00 32.52 O ATOM 812 H GLU A 80 9.351 13.248 -6.906 1.00 0.00 H ATOM 813 N GLY A 81 11.376 12.920 -10.828 1.00 30.35 N ATOM 814 CA GLY A 81 12.274 12.090 -11.593 1.00 30.54 C ATOM 815 C GLY A 81 11.592 11.012 -12.412 1.00 32.01 C ATOM 816 O GLY A 81 12.206 10.485 -13.345 1.00 34.27 O ATOM 817 H GLY A 81 10.927 13.733 -11.297 1.00 0.00 H ATOM 818 N ARG A 82 10.373 10.630 -12.051 1.00 32.31 N ATOM 819 CA ARG A 82 9.609 9.662 -12.824 1.00 31.80 C ATOM 820 C ARG A 82 8.886 10.346 -13.980 1.00 30.63 C ATOM 821 O ARG A 82 8.592 11.542 -13.932 1.00 29.35 O ATOM 822 CB ARG A 82 8.588 8.964 -11.925 1.00 31.71 C ATOM 823 CG ARG A 82 9.186 8.339 -10.672 1.00 32.37 C ATOM 824 CD ARG A 82 8.121 7.677 -9.815 1.00 33.10 C ATOM 825 NE ARG A 82 8.678 7.135 -8.579 1.00 36.13 N ATOM 826 CZ ARG A 82 9.236 5.935 -8.461 1.00 39.89 C ATOM 827 NH1 ARG A 82 9.323 5.122 -9.506 1.00 40.39 N ATOM 828 NH2 ARG A 82 9.715 5.544 -7.290 1.00 42.35 N ATOM 829 HE ARG A 82 8.635 7.732 -7.729 1.00 0.00 H ATOM 830 HH12 ARG A 82 9.762 4.185 -9.401 1.00 0.00 H ATOM 831 HH11 ARG A 82 8.952 5.422 -10.430 1.00 0.00 H ATOM 832 HH22 ARG A 82 10.152 4.605 -7.194 1.00 0.00 H ATOM 833 HH21 ARG A 82 9.654 6.176 -6.466 1.00 0.00 H ATOM 834 H ARG A 82 9.952 11.034 -11.190 1.00 0.00 H ATOM 835 N ASP A 83 8.594 9.578 -15.028 1.00 37.53 N ATOM 836 CA ASP A 83 7.786 10.110 -16.116 1.00 39.53 C ATOM 837 C ASP A 83 6.355 10.340 -15.625 1.00 38.91 C ATOM 838 O ASP A 83 5.967 9.890 -14.542 1.00 39.03 O ATOM 839 CB ASP A 83 7.825 9.171 -17.326 1.00 43.53 C ATOM 840 CG ASP A 83 7.273 7.792 -17.025 1.00 48.52 C ATOM 841 OD1 ASP A 83 6.135 7.693 -16.524 1.00 50.95 O ATOM 842 OD2 ASP A 83 7.988 6.801 -17.277 1.00 50.63 O ATOM 843 H ASP A 83 8.943 8.599 -15.069 1.00 0.00 H ATOM 844 N ARG A 84 5.563 11.060 -16.428 1.00 37.14 N ATOM 845 CA ARG A 84 4.209 11.414 -16.008 1.00 37.41 C ATOM 846 C ARG A 84 3.421 10.183 -15.583 1.00 34.59 C ATOM 847 O ARG A 84 2.741 10.193 -14.553 1.00 36.76 O ATOM 848 CB ARG A 84 3.451 12.156 -17.113 1.00 43.65 C ATOM 849 CG ARG A 84 3.982 13.521 -17.488 1.00 49.05 C ATOM 850 CD ARG A 84 2.882 14.317 -18.205 1.00 52.01 C ATOM 851 NE ARG A 84 3.390 15.235 -19.218 1.00 54.74 N ATOM 852 CZ ARG A 84 3.960 14.859 -20.357 1.00 57.94 C ATOM 853 NH1 ARG A 84 4.099 13.571 -20.647 1.00 59.44 N ATOM 854 NH2 ARG A 84 4.385 15.775 -21.216 1.00 59.15 N ATOM 855 HE ARG A 84 3.300 16.255 -19.036 1.00 0.00 H ATOM 856 HH12 ARG A 84 4.546 13.285 -21.541 1.00 0.00 H ATOM 857 HH11 ARG A 84 3.760 12.848 -19.980 1.00 0.00 H ATOM 858 HH22 ARG A 84 4.832 15.483 -22.109 1.00 0.00 H ATOM 859 HH21 ARG A 84 4.272 16.785 -20.997 1.00 0.00 H ATOM 860 H ARG A 84 5.913 11.370 -17.357 1.00 0.00 H ATOM 861 N ILE A 85 3.455 9.129 -16.397 1.00 32.64 N ATOM 862 CA ILE A 85 2.599 7.976 -16.140 1.00 33.81 C ATOM 863 C ILE A 85 3.007 7.291 -14.844 1.00 34.13 C ATOM 864 O ILE A 85 2.158 6.938 -14.017 1.00 35.16 O ATOM 865 CB ILE A 85 2.651 7.002 -17.330 1.00 33.28 C ATOM 866 CG1 ILE A 85 1.932 7.606 -18.536 1.00 33.46 C ATOM 867 CG2 ILE A 85 2.030 5.654 -16.958 1.00 35.26 C ATOM 868 CD1 ILE A 85 2.122 6.829 -19.821 1.00 34.78 C ATOM 869 H ILE A 85 4.094 9.128 -17.218 1.00 0.00 H ATOM 870 N MET A 86 4.309 7.075 -14.652 1.00 33.57 N ATOM 871 CA MET A 86 4.759 6.394 -13.444 1.00 36.45 C ATOM 872 C MET A 86 4.573 7.268 -12.210 1.00 33.92 C ATOM 873 O MET A 86 4.294 6.752 -11.122 1.00 34.27 O ATOM 874 CB MET A 86 6.224 5.978 -13.583 1.00 40.01 C ATOM 875 CG MET A 86 6.477 4.912 -14.630 1.00 46.72 C ATOM 876 SD MET A 86 5.459 3.432 -14.428 1.00 53.19 S ATOM 877 CE MET A 86 5.771 3.002 -12.717 1.00 53.91 C ATOM 878 H MET A 86 5.001 7.391 -15.361 1.00 0.00 H ATOM 879 N ALA A 87 4.739 8.582 -12.349 1.00 31.38 N ATOM 880 CA ALA A 87 4.570 9.467 -11.202 1.00 29.68 C ATOM 881 C ALA A 87 3.136 9.427 -10.697 1.00 30.18 C ATOM 882 O ALA A 87 2.893 9.301 -9.492 1.00 30.40 O ATOM 883 CB ALA A 87 4.980 10.891 -11.567 1.00 28.92 C ATOM 884 H ALA A 87 4.990 8.978 -13.277 1.00 0.00 H ATOM 885 N TRP A 88 2.165 9.525 -11.612 1.00 31.44 N ATOM 886 CA TRP A 88 0.768 9.484 -11.200 1.00 32.24 C ATOM 887 C TRP A 88 0.352 8.086 -10.762 1.00 32.30 C ATOM 888 O TRP A 88 -0.554 7.945 -9.933 1.00 34.61 O ATOM 889 CB TRP A 88 -0.139 9.980 -12.328 1.00 33.70 C ATOM 890 CG TRP A 88 -0.160 11.468 -12.426 1.00 33.46 C ATOM 891 CD1 TRP A 88 0.395 12.236 -13.404 1.00 33.35 C ATOM 892 CD2 TRP A 88 -0.735 12.375 -11.480 1.00 34.47 C ATOM 893 NE1 TRP A 88 0.184 13.566 -13.138 1.00 33.94 N ATOM 894 CE2 TRP A 88 -0.508 13.679 -11.961 1.00 33.42 C ATOM 895 CE3 TRP A 88 -1.427 12.210 -10.276 1.00 36.03 C ATOM 896 CZ2 TRP A 88 -0.947 14.813 -11.280 1.00 33.97 C ATOM 897 CZ3 TRP A 88 -1.863 13.339 -9.602 1.00 37.58 C ATOM 898 CH2 TRP A 88 -1.621 14.622 -10.107 1.00 36.70 C ATOM 899 HE1 TRP A 88 0.498 14.359 -13.733 1.00 0.00 H ATOM 900 H TRP A 88 2.407 9.630 -12.618 1.00 0.00 H ATOM 901 N THR A 89 0.990 7.045 -11.301 1.00 31.74 N ATOM 902 CA THR A 89 0.737 5.697 -10.803 1.00 34.86 C ATOM 903 C THR A 89 1.152 5.575 -9.341 1.00 35.91 C ATOM 904 O THR A 89 0.414 5.015 -8.522 1.00 37.00 O ATOM 905 CB THR A 89 1.477 4.669 -11.662 1.00 36.51 C ATOM 906 OG1 THR A 89 1.045 4.773 -13.024 1.00 37.09 O ATOM 907 CG2 THR A 89 1.206 3.257 -11.171 1.00 39.10 C ATOM 908 HG1 THR A 89 1.239 5.683 -13.362 1.00 0.00 H ATOM 909 H THR A 89 1.667 7.195 -12.076 1.00 0.00 H ATOM 910 N VAL A 90 2.326 6.102 -8.995 1.00 34.19 N ATOM 911 CA VAL A 90 2.781 6.079 -7.606 1.00 35.93 C ATOM 912 C VAL A 90 1.849 6.907 -6.728 1.00 35.82 C ATOM 913 O VAL A 90 1.436 6.472 -5.647 1.00 37.67 O ATOM 914 CB VAL A 90 4.236 6.574 -7.520 1.00 36.32 C ATOM 915 CG1 VAL A 90 4.677 6.723 -6.071 1.00 37.21 C ATOM 916 CG2 VAL A 90 5.154 5.608 -8.252 1.00 36.41 C ATOM 917 H VAL A 90 2.927 6.536 -9.724 1.00 0.00 H ATOM 918 N VAL A 91 1.484 8.103 -7.189 1.00 35.60 N ATOM 919 CA VAL A 91 0.601 8.964 -6.402 1.00 37.14 C ATOM 920 C VAL A 91 -0.720 8.257 -6.127 1.00 39.58 C ATOM 921 O VAL A 91 -1.161 8.157 -4.977 1.00 40.97 O ATOM 922 CB VAL A 91 0.391 10.311 -7.119 1.00 38.38 C ATOM 923 CG1 VAL A 91 -0.727 11.117 -6.469 1.00 40.38 C ATOM 924 CG2 VAL A 91 1.683 11.115 -7.112 1.00 36.91 C ATOM 925 H VAL A 91 1.829 8.427 -8.115 1.00 0.00 H ATOM 926 N ASN A 92 -1.379 7.762 -7.179 1.00 38.34 N ATOM 927 CA ASN A 92 -2.672 7.109 -6.992 1.00 43.73 C ATOM 928 C ASN A 92 -2.560 5.930 -6.035 1.00 45.38 C ATOM 929 O ASN A 92 -3.450 5.706 -5.206 1.00 48.24 O ATOM 930 CB ASN A 92 -3.232 6.647 -8.338 1.00 46.52 C ATOM 931 CG ASN A 92 -3.655 7.802 -9.219 1.00 50.92 C ATOM 932 OD1 ASN A 92 -3.873 8.914 -8.741 1.00 53.10 O ATOM 933 ND2 ASN A 92 -3.776 7.544 -10.516 1.00 52.48 N ATOM 934 HD22 ASN A 92 -3.581 6.588 -10.876 1.00 0.00 H ATOM 935 HD21 ASN A 92 -4.065 8.298 -11.171 1.00 0.00 H ATOM 936 H ASN A 92 -0.971 7.842 -8.132 1.00 0.00 H ATOM 937 N SER A 93 -1.472 5.167 -6.131 1.00 45.85 N ATOM 938 CA SER A 93 -1.269 4.046 -5.219 1.00 48.61 C ATOM 939 C SER A 93 -1.232 4.521 -3.772 1.00 47.48 C ATOM 940 O SER A 93 -1.898 3.952 -2.900 1.00 50.60 O ATOM 941 CB SER A 93 0.023 3.315 -5.581 1.00 50.34 C ATOM 942 OG SER A 93 0.283 2.257 -4.678 1.00 54.15 O ATOM 943 HG SER A 93 1.124 1.803 -4.937 1.00 0.00 H ATOM 944 H SER A 93 -0.761 5.372 -6.862 1.00 0.00 H ATOM 945 N ILE A 94 -0.466 5.580 -3.501 1.00 42.99 N ATOM 946 CA ILE A 94 -0.362 6.098 -2.138 1.00 44.16 C ATOM 947 C ILE A 94 -1.724 6.569 -1.648 1.00 46.86 C ATOM 948 O ILE A 94 -2.140 6.264 -0.523 1.00 50.40 O ATOM 949 CB ILE A 94 0.681 7.229 -2.076 1.00 41.25 C ATOM 950 CG1 ILE A 94 2.070 6.682 -2.404 1.00 40.21 C ATOM 951 CG2 ILE A 94 0.683 7.888 -0.695 1.00 43.41 C ATOM 952 CD1 ILE A 94 3.110 7.754 -2.635 1.00 39.69 C ATOM 953 H ILE A 94 0.063 6.042 -4.268 1.00 0.00 H ATOM 954 N CYS A 95 -2.435 7.331 -2.480 1.00 46.00 N ATOM 955 CA CYS A 95 -3.699 7.919 -2.051 1.00 52.30 C ATOM 956 C CYS A 95 -4.733 6.846 -1.742 1.00 59.10 C ATOM 957 O CYS A 95 -5.327 6.832 -0.658 1.00 60.53 O ATOM 958 CB CYS A 95 -4.223 8.871 -3.122 1.00 52.48 C ATOM 959 SG CYS A 95 -3.203 10.317 -3.337 1.00 53.95 S ATOM 960 H CYS A 95 -2.085 7.508 -3.443 1.00 0.00 H ATOM 961 N ASN A 96 -4.973 5.941 -2.692 1.00 67.92 N ATOM 962 CA ASN A 96 -5.959 4.891 -2.474 1.00 76.40 C ATOM 963 C ASN A 96 -5.587 3.987 -1.306 1.00 78.62 C ATOM 964 O ASN A 96 -6.458 3.288 -0.777 1.00 83.31 O ATOM 965 CB ASN A 96 -6.121 4.062 -3.749 1.00 80.45 C ATOM 966 CG ASN A 96 -6.560 4.901 -4.936 1.00 82.72 C ATOM 967 OD1 ASN A 96 -7.329 5.850 -4.788 1.00 85.32 O ATOM 968 ND2 ASN A 96 -6.067 4.556 -6.120 1.00 81.38 N ATOM 969 HD22 ASN A 96 -5.420 3.746 -6.198 1.00 0.00 H ATOM 970 HD21 ASN A 96 -6.328 5.096 -6.969 1.00 0.00 H ATOM 971 H ASN A 96 -4.454 5.985 -3.592 1.00 0.00 H ATOM 972 N THR A 97 -4.323 3.994 -0.883 1.00 74.28 N ATOM 973 CA THR A 97 -3.884 3.171 0.237 1.00 75.43 C ATOM 974 C THR A 97 -4.051 3.890 1.573 1.00 76.28 C ATOM 975 O THR A 97 -4.594 3.319 2.524 1.00 81.54 O ATOM 976 CB THR A 97 -2.419 2.759 0.041 1.00 72.47 C ATOM 977 OG1 THR A 97 -2.317 1.868 -1.075 1.00 72.42 O ATOM 978 CG2 THR A 97 -1.867 2.065 1.284 1.00 74.25 C ATOM 979 HG1 THR A 97 -2.643 2.324 -1.891 1.00 0.00 H ATOM 980 H THR A 97 -3.631 4.603 -1.365 1.00 0.00 H ATOM 981 N THR A 98 -3.588 5.136 1.660 1.00 70.42 N ATOM 982 CA THR A 98 -3.566 5.867 2.920 1.00 69.01 C ATOM 983 C THR A 98 -4.816 6.704 3.153 1.00 69.45 C ATOM 984 O THR A 98 -5.024 7.173 4.277 1.00 72.76 O ATOM 985 CB THR A 98 -2.343 6.792 2.980 1.00 64.53 C ATOM 986 OG1 THR A 98 -2.423 7.762 1.929 1.00 62.14 O ATOM 987 CG2 THR A 98 -1.051 5.999 2.833 1.00 62.03 C ATOM 988 HG1 THR A 98 -2.443 7.298 1.054 1.00 0.00 H ATOM 989 H THR A 98 -3.231 5.602 0.801 1.00 0.00 H ATOM 990 N GLY A 99 -5.646 6.907 2.131 1.00 65.37 N ATOM 991 CA GLY A 99 -6.758 7.827 2.228 1.00 66.50 C ATOM 992 C GLY A 99 -6.404 9.282 2.018 1.00 65.55 C ATOM 993 O GLY A 99 -7.314 10.110 1.883 1.00 65.91 O ATOM 994 H GLY A 99 -5.491 6.391 1.241 1.00 0.00 H ATOM 995 N VAL A 100 -5.116 9.628 1.995 1.00 67.14 N ATOM 996 CA VAL A 100 -4.708 10.994 1.692 1.00 68.97 C ATOM 997 C VAL A 100 -5.279 11.386 0.338 1.00 69.15 C ATOM 998 O VAL A 100 -5.050 10.705 -0.669 1.00 67.55 O ATOM 999 CB VAL A 100 -3.180 11.122 1.719 1.00 69.29 C ATOM 1000 CG1 VAL A 100 -2.748 12.536 1.338 1.00 68.47 C ATOM 1001 CG2 VAL A 100 -2.640 10.751 3.092 1.00 71.18 C ATOM 1002 H VAL A 100 -4.390 8.911 2.197 1.00 0.00 H ATOM 1003 N GLU A 101 -6.031 12.483 0.308 1.00 72.70 N ATOM 1004 CA GLU A 101 -6.666 12.910 -0.929 1.00 75.90 C ATOM 1005 C GLU A 101 -5.621 13.143 -2.014 1.00 71.23 C ATOM 1006 O GLU A 101 -4.478 13.520 -1.742 1.00 69.20 O ATOM 1007 CB GLU A 101 -7.478 14.187 -0.700 1.00 83.23 C ATOM 1008 CG GLU A 101 -8.206 14.691 -1.941 1.00 88.62 C ATOM 1009 CD GLU A 101 -9.089 13.633 -2.575 1.00 94.32 C ATOM 1010 OE1 GLU A 101 -9.584 12.751 -1.841 1.00 98.28 O ATOM 1011 OE2 GLU A 101 -9.279 13.678 -3.809 1.00 94.59 O ATOM 1012 H GLU A 101 -6.166 13.040 1.176 1.00 0.00 H ATOM 1013 N LYS A 102 -6.024 12.905 -3.254 1.00 70.26 N ATOM 1014 CA LYS A 102 -5.102 13.027 -4.373 1.00 66.64 C ATOM 1015 C LYS A 102 -4.734 14.489 -4.590 1.00 62.77 C ATOM 1016 O LYS A 102 -5.626 15.343 -4.658 1.00 65.71 O ATOM 1017 CB LYS A 102 -5.718 12.444 -5.643 1.00 68.12 C ATOM 1018 CG LYS A 102 -5.909 10.937 -5.596 1.00 71.00 C ATOM 1019 CD LYS A 102 -6.564 10.407 -6.866 1.00 73.02 C ATOM 1020 CE LYS A 102 -6.783 8.899 -6.791 1.00 75.32 C ATOM 1021 NZ LYS A 102 -7.502 8.370 -7.987 1.00 76.40 N ATOM 1022 HZ1 LYS A 102 -8.433 8.828 -8.061 1.00 0.00 H ATOM 1023 HZ2 LYS A 102 -6.946 8.573 -8.842 1.00 0.00 H ATOM 1024 HZ3 LYS A 102 -7.626 7.342 -7.889 1.00 0.00 H ATOM 1025 H LYS A 102 -7.011 12.628 -3.429 1.00 0.00 H ATOM 1026 N PRO A 103 -3.451 14.822 -4.700 1.00 54.48 N ATOM 1027 CA PRO A 103 -3.081 16.180 -5.102 1.00 51.04 C ATOM 1028 C PRO A 103 -3.446 16.426 -6.556 1.00 48.98 C ATOM 1029 O PRO A 103 -3.653 15.500 -7.343 1.00 46.41 O ATOM 1030 CB PRO A 103 -1.564 16.219 -4.886 1.00 48.35 C ATOM 1031 CG PRO A 103 -1.137 14.814 -5.038 1.00 48.04 C ATOM 1032 CD PRO A 103 -2.263 13.971 -4.508 1.00 51.35 C ATOM 1033 N LYS A 104 -3.559 17.706 -6.900 1.00 52.37 N ATOM 1034 CA LYS A 104 -3.918 18.092 -8.255 1.00 55.50 C ATOM 1035 C LYS A 104 -2.712 18.440 -9.115 1.00 50.41 C ATOM 1036 O LYS A 104 -2.835 18.474 -10.343 1.00 49.40 O ATOM 1037 CB LYS A 104 -4.878 19.282 -8.209 1.00 64.59 C ATOM 1038 CG LYS A 104 -5.989 19.110 -7.173 1.00 73.35 C ATOM 1039 CD LYS A 104 -6.759 17.798 -7.358 1.00 79.23 C ATOM 1040 CE LYS A 104 -7.642 17.488 -6.158 1.00 85.71 C ATOM 1041 NZ LYS A 104 -8.289 16.147 -6.278 1.00 88.70 N ATOM 1042 HZ1 LYS A 104 -8.880 16.124 -7.134 1.00 0.00 H ATOM 1043 HZ2 LYS A 104 -7.554 15.414 -6.342 1.00 0.00 H ATOM 1044 HZ3 LYS A 104 -8.882 15.973 -5.441 1.00 0.00 H ATOM 1045 H LYS A 104 -3.388 18.444 -6.187 1.00 0.00 H ATOM 1046 N PHE A 105 -1.553 18.661 -8.502 1.00 48.60 N ATOM 1047 CA PHE A 105 -0.279 18.736 -9.197 1.00 45.89 C ATOM 1048 C PHE A 105 0.654 17.686 -8.614 1.00 38.72 C ATOM 1049 O PHE A 105 0.536 17.314 -7.443 1.00 38.26 O ATOM 1050 CB PHE A 105 0.356 20.127 -9.062 1.00 53.67 C ATOM 1051 CG PHE A 105 -0.422 21.220 -9.738 1.00 62.37 C ATOM 1052 CD1 PHE A 105 -0.068 21.663 -11.002 1.00 65.79 C ATOM 1053 CD2 PHE A 105 -1.506 21.808 -9.108 1.00 67.36 C ATOM 1054 CE1 PHE A 105 -0.782 22.670 -11.625 1.00 69.60 C ATOM 1055 CE2 PHE A 105 -2.224 22.815 -9.727 1.00 71.28 C ATOM 1056 CZ PHE A 105 -1.861 23.246 -10.987 1.00 72.05 C ATOM 1057 H PHE A 105 -1.559 18.787 -7.470 1.00 0.00 H ATOM 1058 N LEU A 106 1.569 17.198 -9.435 1.00 33.26 N ATOM 1059 CA LEU A 106 2.503 16.186 -8.976 1.00 32.48 C ATOM 1060 C LEU A 106 3.398 16.764 -7.884 1.00 32.79 C ATOM 1061 O LEU A 106 4.076 17.776 -8.123 1.00 31.26 O ATOM 1062 CB LEU A 106 3.355 15.665 -10.131 1.00 32.85 C ATOM 1063 CG LEU A 106 2.721 14.622 -11.051 1.00 34.79 C ATOM 1064 CD1 LEU A 106 3.657 14.318 -12.209 1.00 35.82 C ATOM 1065 CD2 LEU A 106 2.387 13.345 -10.304 1.00 33.67 C ATOM 1066 H LEU A 106 1.620 17.541 -10.415 1.00 0.00 H ATOM 1067 N PRO A 107 3.407 16.194 -6.674 1.00 33.77 N ATOM 1068 CA PRO A 107 4.383 16.636 -5.671 1.00 33.10 C ATOM 1069 C PRO A 107 5.733 15.974 -5.896 1.00 30.65 C ATOM 1070 O PRO A 107 5.928 15.293 -6.907 1.00 28.47 O ATOM 1071 CB PRO A 107 3.740 16.209 -4.347 1.00 35.00 C ATOM 1072 CG PRO A 107 2.940 15.011 -4.701 1.00 36.21 C ATOM 1073 CD PRO A 107 2.483 15.184 -6.129 1.00 35.14 C ATOM 1074 N ASP A 108 6.671 16.173 -4.973 1.00 31.09 N ATOM 1075 CA ASP A 108 8.022 15.640 -5.111 1.00 29.78 C ATOM 1076 C ASP A 108 8.284 14.400 -4.274 1.00 29.16 C ATOM 1077 O ASP A 108 9.052 13.531 -4.701 1.00 27.29 O ATOM 1078 CB ASP A 108 9.043 16.714 -4.736 1.00 29.15 C ATOM 1079 CG ASP A 108 9.075 17.835 -5.737 1.00 28.61 C ATOM 1080 OD1 ASP A 108 9.032 17.527 -6.943 1.00 28.61 O ATOM 1081 OD2 ASP A 108 9.131 19.011 -5.325 1.00 28.65 O ATOM 1082 H ASP A 108 6.433 16.727 -4.125 1.00 0.00 H ATOM 1083 N LEU A 109 7.675 14.306 -3.094 1.00 27.74 N ATOM 1084 CA LEU A 109 7.915 13.200 -2.184 1.00 27.50 C ATOM 1085 C LEU A 109 6.622 12.888 -1.448 1.00 28.29 C ATOM 1086 O LEU A 109 5.686 13.691 -1.432 1.00 29.73 O ATOM 1087 CB LEU A 109 9.015 13.532 -1.157 1.00 27.79 C ATOM 1088 CG LEU A 109 10.373 14.021 -1.657 1.00 27.34 C ATOM 1089 CD1 LEU A 109 11.170 14.649 -0.521 1.00 32.81 C ATOM 1090 CD2 LEU A 109 11.144 12.876 -2.263 1.00 26.99 C ATOM 1091 H LEU A 109 7.004 15.050 -2.814 1.00 0.00 H ATOM 1092 N TYR A 110 6.590 11.715 -0.820 1.00 28.95 N ATOM 1093 CA TYR A 110 5.573 11.385 0.168 1.00 31.44 C ATOM 1094 C TYR A 110 6.281 10.902 1.423 1.00 34.98 C ATOM 1095 O TYR A 110 7.191 10.071 1.341 1.00 34.42 O ATOM 1096 CB TYR A 110 4.598 10.313 -0.329 1.00 31.94 C ATOM 1097 CG TYR A 110 3.510 10.013 0.679 1.00 33.21 C ATOM 1098 CD1 TYR A 110 2.408 10.846 0.805 1.00 32.52 C ATOM 1099 CD2 TYR A 110 3.598 8.911 1.520 1.00 34.91 C ATOM 1100 CE1 TYR A 110 1.415 10.583 1.736 1.00 36.05 C ATOM 1101 CE2 TYR A 110 2.611 8.641 2.451 1.00 37.87 C ATOM 1102 CZ TYR A 110 1.526 9.481 2.556 1.00 38.22 C ATOM 1103 OH TYR A 110 0.546 9.216 3.482 1.00 42.53 O ATOM 1104 HH TYR A 110 0.942 9.217 4.389 1.00 0.00 H ATOM 1105 H TYR A 110 7.319 11.008 -1.043 1.00 0.00 H ATOM 1106 N ASP A 111 5.864 11.427 2.574 1.00 37.36 N ATOM 1107 CA ASP A 111 6.467 11.107 3.864 1.00 38.00 C ATOM 1108 C ASP A 111 5.560 10.115 4.583 1.00 40.64 C ATOM 1109 O ASP A 111 4.455 10.468 5.008 1.00 42.28 O ATOM 1110 CB ASP A 111 6.655 12.384 4.683 1.00 37.99 C ATOM 1111 CG ASP A 111 7.483 12.173 5.939 1.00 40.34 C ATOM 1112 OD1 ASP A 111 7.627 11.018 6.396 1.00 42.70 O ATOM 1113 OD2 ASP A 111 7.975 13.186 6.484 1.00 39.33 O ATOM 1114 H ASP A 111 5.070 12.098 2.552 1.00 0.00 H ATOM 1115 N TYR A 112 6.033 8.875 4.733 1.00 40.98 N ATOM 1116 CA TYR A 112 5.251 7.862 5.432 1.00 43.66 C ATOM 1117 C TYR A 112 5.224 8.091 6.936 1.00 47.21 C ATOM 1118 O TYR A 112 4.335 7.564 7.613 1.00 48.47 O ATOM 1119 CB TYR A 112 5.799 6.467 5.130 1.00 44.77 C ATOM 1120 CG TYR A 112 5.446 5.958 3.754 1.00 44.45 C ATOM 1121 CD1 TYR A 112 4.147 5.580 3.444 1.00 47.45 C ATOM 1122 CD2 TYR A 112 6.412 5.850 2.764 1.00 44.31 C ATOM 1123 CE1 TYR A 112 3.818 5.113 2.181 1.00 47.38 C ATOM 1124 CE2 TYR A 112 6.095 5.384 1.503 1.00 44.22 C ATOM 1125 CZ TYR A 112 4.797 5.017 1.216 1.00 46.39 C ATOM 1126 OH TYR A 112 4.482 4.554 -0.042 1.00 47.22 O ATOM 1127 HH TYR A 112 4.691 5.253 -0.711 1.00 0.00 H ATOM 1128 H TYR A 112 6.967 8.630 4.348 1.00 0.00 H ATOM 1129 N LYS A 113 6.172 8.856 7.476 1.00 49.45 N ATOM 1130 CA LYS A 113 6.137 9.186 8.897 1.00 54.27 C ATOM 1131 C LYS A 113 5.072 10.238 9.183 1.00 53.93 C ATOM 1132 O LYS A 113 4.188 10.033 10.022 1.00 56.50 O ATOM 1133 CB LYS A 113 7.513 9.676 9.360 1.00 57.06 C ATOM 1134 CG LYS A 113 7.611 9.944 10.857 1.00 62.92 C ATOM 1135 CD LYS A 113 8.820 10.805 11.181 1.00 65.19 C ATOM 1136 CE LYS A 113 8.928 11.088 12.670 1.00 69.94 C ATOM 1137 NZ LYS A 113 9.957 12.129 12.967 1.00 70.14 N ATOM 1138 HZ1 LYS A 113 10.885 11.804 12.629 1.00 0.00 H ATOM 1139 HZ2 LYS A 113 9.702 13.014 12.485 1.00 0.00 H ATOM 1140 HZ3 LYS A 113 9.998 12.291 13.993 1.00 0.00 H ATOM 1141 H LYS A 113 6.943 9.221 6.880 1.00 0.00 H ATOM 1142 N GLU A 114 5.148 11.378 8.495 1.00 49.63 N ATOM 1143 CA GLU A 114 4.186 12.455 8.686 1.00 49.54 C ATOM 1144 C GLU A 114 2.901 12.240 7.898 1.00 46.90 C ATOM 1145 O GLU A 114 1.942 12.994 8.096 1.00 48.74 O ATOM 1146 CB GLU A 114 4.810 13.795 8.290 1.00 50.19 C ATOM 1147 CG GLU A 114 6.086 14.151 9.046 1.00 53.92 C ATOM 1148 CD GLU A 114 5.844 14.533 10.497 1.00 62.25 C ATOM 1149 OE1 GLU A 114 4.680 14.494 10.950 1.00 66.74 O ATOM 1150 OE2 GLU A 114 6.826 14.882 11.188 1.00 63.58 O ATOM 1151 H GLU A 114 5.915 11.501 7.803 1.00 0.00 H ATOM 1152 N ASN A 115 2.865 11.247 7.009 1.00 44.08 N ATOM 1153 CA ASN A 115 1.677 10.912 6.223 1.00 42.55 C ATOM 1154 C ASN A 115 1.207 12.111 5.395 1.00 40.98 C ATOM 1155 O ASN A 115 0.066 12.564 5.496 1.00 43.74 O ATOM 1156 CB ASN A 115 0.552 10.400 7.132 1.00 46.72 C ATOM 1157 CG ASN A 115 1.024 9.329 8.110 1.00 51.71 C ATOM 1158 OD1 ASN A 115 1.303 8.196 7.722 1.00 53.33 O ATOM 1159 ND2 ASN A 115 1.099 9.685 9.389 1.00 55.17 N ATOM 1160 HD22 ASN A 115 0.854 10.655 9.674 1.00 0.00 H ATOM 1161 HD21 ASN A 115 1.403 8.994 10.104 1.00 0.00 H ATOM 1162 H ASN A 115 3.726 10.681 6.867 1.00 0.00 H ATOM 1163 N ARG A 116 2.103 12.608 4.545 1.00 38.70 N ATOM 1164 CA ARG A 116 1.780 13.764 3.721 1.00 38.72 C ATOM 1165 C ARG A 116 2.746 13.849 2.550 1.00 36.99 C ATOM 1166 O ARG A 116 3.903 13.432 2.647 1.00 35.27 O ATOM 1167 CB ARG A 116 1.832 15.057 4.541 1.00 42.14 C ATOM 1168 CG ARG A 116 3.226 15.424 5.033 1.00 41.97 C ATOM 1169 CD ARG A 116 3.160 16.426 6.173 1.00 45.37 C ATOM 1170 NE ARG A 116 4.486 16.799 6.663 1.00 44.45 N ATOM 1171 CZ ARG A 116 4.706 17.509 7.767 1.00 44.86 C ATOM 1172 NH1 ARG A 116 3.689 17.922 8.512 1.00 45.65 N ATOM 1173 NH2 ARG A 116 5.946 17.800 8.133 1.00 43.85 N ATOM 1174 HE ARG A 116 5.312 16.489 6.112 1.00 0.00 H ATOM 1175 HH12 ARG A 116 3.867 18.476 9.374 1.00 0.00 H ATOM 1176 HH11 ARG A 116 2.714 17.691 8.234 1.00 0.00 H ATOM 1177 HH22 ARG A 116 6.117 18.355 8.996 1.00 0.00 H ATOM 1178 HH21 ARG A 116 6.748 17.473 7.557 1.00 0.00 H ATOM 1179 H ARG A 116 3.042 12.167 4.469 1.00 0.00 H ATOM 1180 N PHE A 117 2.256 14.411 1.448 1.00 35.70 N ATOM 1181 CA PHE A 117 3.109 14.714 0.314 1.00 32.37 C ATOM 1182 C PHE A 117 3.930 15.962 0.608 1.00 32.75 C ATOM 1183 O PHE A 117 3.562 16.797 1.438 1.00 34.15 O ATOM 1184 CB PHE A 117 2.277 14.925 -0.952 1.00 30.51 C ATOM 1185 CG PHE A 117 1.626 13.675 -1.462 1.00 30.38 C ATOM 1186 CD1 PHE A 117 2.334 12.778 -2.244 1.00 29.47 C ATOM 1187 CD2 PHE A 117 0.303 13.394 -1.160 1.00 32.06 C ATOM 1188 CE1 PHE A 117 1.734 11.625 -2.715 1.00 29.95 C ATOM 1189 CE2 PHE A 117 -0.301 12.243 -1.626 1.00 32.73 C ATOM 1190 CZ PHE A 117 0.414 11.357 -2.401 1.00 32.54 C ATOM 1191 H PHE A 117 1.242 14.637 1.398 1.00 0.00 H ATOM 1192 N ILE A 118 5.065 16.071 -0.076 1.00 31.72 N ATOM 1193 CA ILE A 118 5.981 17.190 0.092 1.00 32.48 C ATOM 1194 C ILE A 118 6.269 17.790 -1.274 1.00 30.46 C ATOM 1195 O ILE A 118 6.511 17.063 -2.243 1.00 30.49 O ATOM 1196 CB ILE A 118 7.298 16.762 0.775 1.00 33.66 C ATOM 1197 CG1 ILE A 118 7.013 16.152 2.148 1.00 38.29 C ATOM 1198 CG2 ILE A 118 8.239 17.952 0.893 1.00 32.94 C ATOM 1199 CD1 ILE A 118 8.218 15.495 2.798 1.00 39.46 C ATOM 1200 H ILE A 118 5.309 15.326 -0.759 1.00 0.00 H ATOM 1201 N GLU A 119 6.231 19.118 -1.349 1.00 31.35 N ATOM 1202 CA GLU A 119 6.693 19.872 -2.508 1.00 30.31 C ATOM 1203 C GLU A 119 8.014 20.538 -2.142 1.00 29.87 C ATOM 1204 O GLU A 119 8.051 21.400 -1.259 1.00 30.33 O ATOM 1205 CB GLU A 119 5.666 20.920 -2.932 1.00 32.50 C ATOM 1206 CG GLU A 119 6.142 21.826 -4.062 1.00 33.24 C ATOM 1207 CD GLU A 119 6.571 21.046 -5.290 1.00 33.60 C ATOM 1208 OE1 GLU A 119 5.919 20.023 -5.594 1.00 29.15 O ATOM 1209 OE2 GLU A 119 7.566 21.443 -5.938 1.00 35.09 O ATOM 1210 H GLU A 119 5.851 19.646 -0.537 1.00 0.00 H ATOM 1211 N ILE A 120 9.090 20.129 -2.807 1.00 28.50 N ATOM 1212 CA ILE A 120 10.423 20.681 -2.591 1.00 29.96 C ATOM 1213 C ILE A 120 10.617 21.874 -3.514 1.00 31.35 C ATOM 1214 O ILE A 120 10.240 21.835 -4.688 1.00 30.75 O ATOM 1215 CB ILE A 120 11.507 19.613 -2.838 1.00 31.32 C ATOM 1216 CG1 ILE A 120 11.383 18.462 -1.832 1.00 33.01 C ATOM 1217 CG2 ILE A 120 12.900 20.235 -2.806 1.00 30.23 C ATOM 1218 CD1 ILE A 120 11.728 18.828 -0.401 1.00 33.97 C ATOM 1219 H ILE A 120 8.976 19.378 -3.517 1.00 0.00 H ATOM 1220 N GLY A 121 11.224 22.925 -2.995 1.00 32.19 N ATOM 1221 CA GLY A 121 11.533 24.099 -3.795 1.00 31.34 C ATOM 1222 C GLY A 121 12.975 24.517 -3.622 1.00 32.89 C ATOM 1223 O GLY A 121 13.500 24.531 -2.508 1.00 34.35 O ATOM 1224 H GLY A 121 11.488 22.913 -1.989 1.00 0.00 H ATOM 1225 N VAL A 122 13.620 24.837 -4.742 1.00 32.33 N ATOM 1226 CA VAL A 122 14.986 25.360 -4.753 1.00 30.71 C ATOM 1227 C VAL A 122 14.957 26.648 -5.562 1.00 34.22 C ATOM 1228 O VAL A 122 14.732 26.617 -6.778 1.00 35.76 O ATOM 1229 CB VAL A 122 15.998 24.366 -5.338 1.00 28.72 C ATOM 1230 CG1 VAL A 122 17.411 24.928 -5.260 1.00 33.02 C ATOM 1231 CG2 VAL A 122 15.922 23.052 -4.602 1.00 28.80 C ATOM 1232 H VAL A 122 13.130 24.709 -5.651 1.00 0.00 H ATOM 1233 N THR A 123 15.176 27.779 -4.894 1.00 38.60 N ATOM 1234 CA THR A 123 14.998 29.090 -5.499 1.00 41.09 C ATOM 1235 C THR A 123 16.313 29.854 -5.532 1.00 43.29 C ATOM 1236 O THR A 123 17.099 29.802 -4.579 1.00 44.19 O ATOM 1237 CB THR A 123 13.945 29.909 -4.737 1.00 44.77 C ATOM 1238 OG1 THR A 123 13.769 31.179 -5.376 1.00 49.65 O ATOM 1239 CG2 THR A 123 14.361 30.129 -3.284 1.00 46.42 C ATOM 1240 HG1 THR A 123 13.466 31.039 -6.308 1.00 0.00 H ATOM 1241 H THR A 123 15.486 27.723 -3.903 1.00 0.00 H ATOM 1242 N ARG A 124 16.549 30.551 -6.641 1.00 42.59 N ATOM 1243 CA ARG A 124 17.611 31.543 -6.721 1.00 45.87 C ATOM 1244 C ARG A 124 17.180 32.920 -6.218 1.00 49.46 C ATOM 1245 O ARG A 124 17.931 33.886 -6.382 1.00 47.87 O ATOM 1246 CB ARG A 124 18.150 31.654 -8.153 1.00 47.03 C ATOM 1247 CG ARG A 124 18.829 30.389 -8.683 1.00 43.91 C ATOM 1248 CD ARG A 124 18.480 30.019 -10.125 1.00 44.02 C ATOM 1249 NE ARG A 124 17.214 29.319 -10.297 1.00 44.18 N ATOM 1250 CZ ARG A 124 16.732 28.947 -11.480 1.00 45.11 C ATOM 1251 NH1 ARG A 124 17.417 29.203 -12.589 1.00 48.30 N ATOM 1252 NH2 ARG A 124 15.573 28.309 -11.558 1.00 43.29 N ATOM 1253 HE ARG A 124 16.656 29.098 -9.448 1.00 0.00 H ATOM 1254 HH12 ARG A 124 17.039 28.911 -13.513 1.00 0.00 H ATOM 1255 HH11 ARG A 124 18.332 29.695 -12.533 1.00 0.00 H ATOM 1256 HH22 ARG A 124 15.200 28.020 -12.485 1.00 0.00 H ATOM 1257 HH21 ARG A 124 15.037 28.097 -10.692 1.00 0.00 H ATOM 1258 H ARG A 124 15.955 30.381 -7.478 1.00 0.00 H ATOM 1259 N ARG A 125 15.999 33.029 -5.608 1.00 55.59 N ATOM 1260 CA ARG A 125 15.514 34.295 -5.071 1.00 63.35 C ATOM 1261 C ARG A 125 15.127 34.125 -3.604 1.00 64.63 C ATOM 1262 O ARG A 125 15.415 33.085 -3.005 1.00 63.76 O ATOM 1263 CB ARG A 125 14.341 34.819 -5.904 1.00 67.60 C ATOM 1264 CG ARG A 125 14.567 34.682 -7.410 1.00 71.69 C ATOM 1265 CD ARG A 125 13.449 35.266 -8.283 1.00 77.69 C ATOM 1266 NE ARG A 125 12.342 34.343 -8.536 1.00 79.63 N ATOM 1267 CZ ARG A 125 11.351 34.081 -7.688 1.00 82.48 C ATOM 1268 NH1 ARG A 125 11.296 34.671 -6.502 1.00 86.08 N ATOM 1269 NH2 ARG A 125 10.402 33.221 -8.033 1.00 80.80 N ATOM 1270 HE ARG A 125 12.329 33.852 -9.453 1.00 0.00 H ATOM 1271 HH12 ARG A 125 10.515 34.456 -5.850 1.00 0.00 H ATOM 1272 HH11 ARG A 125 12.034 35.349 -6.224 1.00 0.00 H ATOM 1273 HH22 ARG A 125 9.625 33.012 -7.374 1.00 0.00 H ATOM 1274 HH21 ARG A 125 10.435 32.755 -8.962 1.00 0.00 H ATOM 1275 H ARG A 125 15.403 32.182 -5.512 1.00 0.00 H ATOM 1276 N GLU A 126 14.512 35.142 -3.006 1.00 67.71 N ATOM 1277 CA GLU A 126 14.080 35.036 -1.617 1.00 68.57 C ATOM 1278 C GLU A 126 13.171 33.828 -1.424 1.00 59.78 C ATOM 1279 O GLU A 126 12.244 33.594 -2.204 1.00 58.56 O ATOM 1280 CB GLU A 126 13.351 36.310 -1.188 1.00 78.11 C ATOM 1281 CG GLU A 126 14.145 37.597 -1.399 1.00 87.71 C ATOM 1282 CD GLU A 126 15.031 37.948 -0.217 1.00 93.87 C ATOM 1283 OE1 GLU A 126 14.895 37.306 0.845 1.00 94.32 O ATOM 1284 OE2 GLU A 126 15.865 38.869 -0.351 1.00 98.07 O ATOM 1285 H GLU A 126 14.338 36.021 -3.534 1.00 0.00 H ATOM 1286 N VAL A 127 13.426 33.073 -0.351 1.00 57.97 N ATOM 1287 CA VAL A 127 12.589 31.919 -0.029 1.00 53.18 C ATOM 1288 C VAL A 127 11.144 32.341 0.203 1.00 53.41 C ATOM 1289 O VAL A 127 10.207 31.631 -0.181 1.00 50.08 O ATOM 1290 CB VAL A 127 13.156 31.162 1.189 1.00 52.10 C ATOM 1291 CG1 VAL A 127 14.516 30.569 0.857 1.00 51.13 C ATOM 1292 CG2 VAL A 127 13.246 32.073 2.413 1.00 55.15 C ATOM 1293 H VAL A 127 14.231 33.310 0.263 1.00 0.00 H ATOM 1294 N HIS A 128 10.935 33.494 0.841 1.00 61.89 N ATOM 1295 CA HIS A 128 9.576 33.915 1.162 1.00 67.19 C ATOM 1296 C HIS A 128 8.762 34.148 -0.105 1.00 66.74 C ATOM 1297 O HIS A 128 7.620 33.689 -0.217 1.00 66.57 O ATOM 1298 CB HIS A 128 9.606 35.176 2.025 1.00 75.63 C ATOM 1299 CG HIS A 128 8.262 35.577 2.549 1.00 82.14 C ATOM 1300 ND1 HIS A 128 7.729 36.832 2.351 1.00 88.03 N ATOM 1301 CD2 HIS A 128 7.339 34.883 3.255 1.00 82.96 C ATOM 1302 CE1 HIS A 128 6.537 36.896 2.919 1.00 90.49 C ATOM 1303 NE2 HIS A 128 6.277 35.726 3.474 1.00 87.47 N ATOM 1304 H HIS A 128 11.742 34.093 1.110 1.00 0.00 H ATOM 1305 N ILE A 129 9.338 34.857 -1.075 1.00 67.02 N ATOM 1306 CA ILE A 129 8.644 35.091 -2.339 1.00 67.24 C ATOM 1307 C ILE A 129 8.306 33.765 -3.006 1.00 61.98 C ATOM 1308 O ILE A 129 7.178 33.545 -3.462 1.00 61.96 O ATOM 1309 CB ILE A 129 9.494 35.986 -3.260 1.00 71.18 C ATOM 1310 CG1 ILE A 129 9.717 37.354 -2.609 1.00 76.42 C ATOM 1311 CG2 ILE A 129 8.822 36.150 -4.624 1.00 72.10 C ATOM 1312 CD1 ILE A 129 10.775 38.200 -3.291 1.00 79.37 C ATOM 1313 H ILE A 129 10.291 35.248 -0.931 1.00 0.00 H ATOM 1314 N TYR A 130 9.282 32.856 -3.065 1.00 56.66 N ATOM 1315 CA TYR A 130 9.076 31.592 -3.762 1.00 53.07 C ATOM 1316 C TYR A 130 8.082 30.698 -3.032 1.00 51.61 C ATOM 1317 O TYR A 130 7.334 29.955 -3.677 1.00 50.78 O ATOM 1318 CB TYR A 130 10.413 30.874 -3.935 1.00 49.64 C ATOM 1319 CG TYR A 130 10.373 29.721 -4.911 1.00 46.98 C ATOM 1320 CD1 TYR A 130 10.260 29.945 -6.277 1.00 48.47 C ATOM 1321 CD2 TYR A 130 10.464 28.410 -4.470 1.00 43.93 C ATOM 1322 CE1 TYR A 130 10.228 28.891 -7.177 1.00 46.38 C ATOM 1323 CE2 TYR A 130 10.434 27.352 -5.362 1.00 42.99 C ATOM 1324 CZ TYR A 130 10.316 27.600 -6.713 1.00 43.42 C ATOM 1325 OH TYR A 130 10.286 26.549 -7.599 1.00 42.79 O ATOM 1326 HH TYR A 130 11.125 26.029 -7.520 1.00 0.00 H ATOM 1327 H TYR A 130 10.197 33.051 -2.610 1.00 0.00 H ATOM 1328 N TYR A 131 8.056 30.747 -1.698 1.00 50.45 N ATOM 1329 CA TYR A 131 7.081 29.955 -0.954 1.00 51.01 C ATOM 1330 C TYR A 131 5.659 30.335 -1.347 1.00 54.87 C ATOM 1331 O TYR A 131 4.832 29.467 -1.647 1.00 52.54 O ATOM 1332 CB TYR A 131 7.282 30.134 0.552 1.00 51.07 C ATOM 1333 CG TYR A 131 6.309 29.319 1.379 1.00 50.55 C ATOM 1334 CD1 TYR A 131 5.025 29.785 1.639 1.00 54.06 C ATOM 1335 CD2 TYR A 131 6.669 28.080 1.889 1.00 47.72 C ATOM 1336 CE1 TYR A 131 4.131 29.039 2.384 1.00 55.01 C ATOM 1337 CE2 TYR A 131 5.782 27.329 2.636 1.00 48.77 C ATOM 1338 CZ TYR A 131 4.516 27.813 2.880 1.00 53.49 C ATOM 1339 OH TYR A 131 3.630 27.067 3.624 1.00 56.28 O ATOM 1340 HH TYR A 131 3.474 26.198 3.176 1.00 0.00 H ATOM 1341 H TYR A 131 8.732 31.351 -1.188 1.00 0.00 H ATOM 1342 N LEU A 132 5.353 31.634 -1.346 1.00 65.54 N ATOM 1343 CA LEU A 132 3.999 32.071 -1.672 1.00 72.83 C ATOM 1344 C LEU A 132 3.614 31.664 -3.088 1.00 74.29 C ATOM 1345 O LEU A 132 2.460 31.302 -3.345 1.00 77.61 O ATOM 1346 CB LEU A 132 3.876 33.584 -1.493 1.00 77.93 C ATOM 1347 CG LEU A 132 3.516 34.051 -0.081 1.00 81.32 C ATOM 1348 CD1 LEU A 132 4.607 33.696 0.916 1.00 79.67 C ATOM 1349 CD2 LEU A 132 3.252 35.546 -0.073 1.00 85.72 C ATOM 1350 H LEU A 132 6.082 32.338 -1.112 1.00 0.00 H ATOM 1351 N GLU A 133 4.564 31.718 -4.023 1.00 71.06 N ATOM 1352 CA GLU A 133 4.292 31.244 -5.376 1.00 70.13 C ATOM 1353 C GLU A 133 3.851 29.786 -5.360 1.00 64.68 C ATOM 1354 O GLU A 133 2.793 29.439 -5.896 1.00 66.68 O ATOM 1355 CB GLU A 133 5.529 31.424 -6.256 1.00 71.75 C ATOM 1356 CG GLU A 133 5.823 32.872 -6.613 1.00 77.46 C ATOM 1357 CD GLU A 133 6.927 33.005 -7.642 1.00 79.74 C ATOM 1358 OE1 GLU A 133 7.440 31.962 -8.105 1.00 77.80 O ATOM 1359 OE2 GLU A 133 7.284 34.152 -7.986 1.00 83.41 O ATOM 1360 H GLU A 133 5.502 32.099 -3.787 1.00 0.00 H ATOM 1361 N LYS A 134 4.653 28.916 -4.743 1.00 56.00 N ATOM 1362 CA LYS A 134 4.288 27.506 -4.646 1.00 52.47 C ATOM 1363 C LYS A 134 2.928 27.337 -3.982 1.00 53.56 C ATOM 1364 O LYS A 134 2.074 26.587 -4.469 1.00 54.84 O ATOM 1365 CB LYS A 134 5.359 26.740 -3.869 1.00 49.14 C ATOM 1366 CG LYS A 134 6.657 26.516 -4.627 1.00 46.45 C ATOM 1367 CD LYS A 134 6.448 25.625 -5.840 1.00 44.93 C ATOM 1368 CE LYS A 134 7.724 24.892 -6.202 1.00 39.95 C ATOM 1369 NZ LYS A 134 7.592 24.157 -7.477 1.00 40.73 N ATOM 1370 HZ1 LYS A 134 6.826 23.459 -7.395 1.00 0.00 H ATOM 1371 HZ2 LYS A 134 7.372 24.827 -8.241 1.00 0.00 H ATOM 1372 HZ3 LYS A 134 8.486 23.669 -7.689 1.00 0.00 H ATOM 1373 H LYS A 134 5.547 29.246 -4.327 1.00 0.00 H ATOM 1374 N ALA A 135 2.716 28.016 -2.853 1.00 52.33 N ATOM 1375 CA ALA A 135 1.473 27.849 -2.108 1.00 55.17 C ATOM 1376 C ALA A 135 0.264 28.211 -2.962 1.00 62.30 C ATOM 1377 O ALA A 135 -0.781 27.556 -2.878 1.00 63.11 O ATOM 1378 CB ALA A 135 1.506 28.699 -0.838 1.00 54.94 C ATOM 1379 H ALA A 135 3.444 28.670 -2.501 1.00 0.00 H ATOM 1380 N ASN A 136 0.388 29.250 -3.792 1.00 72.51 N ATOM 1381 CA ASN A 136 -0.734 29.676 -4.621 1.00 83.15 C ATOM 1382 C ASN A 136 -1.174 28.598 -5.603 1.00 86.46 C ATOM 1383 O ASN A 136 -2.307 28.650 -6.093 1.00 90.01 O ATOM 1384 CB ASN A 136 -0.366 30.949 -5.382 1.00 88.65 C ATOM 1385 CG ASN A 136 -0.227 32.152 -4.470 1.00 93.53 C ATOM 1386 OD1 ASN A 136 -0.813 32.196 -3.388 1.00 95.64 O ATOM 1387 ND2 ASN A 136 0.548 33.139 -4.905 1.00 95.19 N ATOM 1388 HD22 ASN A 136 1.024 33.059 -5.826 1.00 0.00 H ATOM 1389 HD21 ASN A 136 0.679 33.992 -4.324 1.00 0.00 H ATOM 1390 H ASN A 136 1.293 29.760 -3.848 1.00 0.00 H ATOM 1391 N LYS A 137 -0.313 27.628 -5.901 1.00 87.26 N ATOM 1392 CA LYS A 137 -0.688 26.482 -6.720 1.00 91.16 C ATOM 1393 C LYS A 137 -1.266 25.339 -5.899 1.00 93.90 C ATOM 1394 O LYS A 137 -1.688 24.332 -6.477 1.00 95.28 O ATOM 1395 CB LYS A 137 0.519 25.972 -7.518 1.00 88.21 C ATOM 1396 CG LYS A 137 0.900 26.830 -8.719 1.00 90.04 C ATOM 1397 CD LYS A 137 1.156 28.273 -8.332 1.00 91.42 C ATOM 1398 CE LYS A 137 1.938 29.015 -9.405 1.00 92.27 C ATOM 1399 NZ LYS A 137 2.217 30.427 -9.014 1.00 93.78 N ATOM 1400 HZ1 LYS A 137 1.318 30.927 -8.861 1.00 0.00 H ATOM 1401 HZ2 LYS A 137 2.775 30.439 -8.137 1.00 0.00 H ATOM 1402 HZ3 LYS A 137 2.751 30.896 -9.773 1.00 0.00 H ATOM 1403 H LYS A 137 0.659 27.690 -5.538 1.00 0.00 H ATOM 1404 N ILE A 138 -1.295 25.465 -4.574 1.00 93.77 N ATOM 1405 CA ILE A 138 -1.784 24.412 -3.686 1.00 95.93 C ATOM 1406 C ILE A 138 -2.772 25.077 -2.732 1.00108.00 C ATOM 1407 O ILE A 138 -2.401 25.537 -1.648 1.00110.03 O ATOM 1408 CB ILE A 138 -0.656 23.716 -2.917 1.00 85.50 C ATOM 1409 CG1 ILE A 138 0.371 23.133 -3.892 1.00 77.30 C ATOM 1410 CG2 ILE A 138 -1.226 22.623 -2.014 1.00 85.71 C ATOM 1411 CD1 ILE A 138 1.625 22.604 -3.222 1.00 70.09 C ATOM 1412 H ILE A 138 -0.954 26.352 -4.152 1.00 0.00 H ATOM 1413 N LYS A 139 -4.039 25.132 -3.131 1.00115.41 N ATOM 1414 CA LYS A 139 -5.112 25.529 -2.233 1.00124.79 C ATOM 1415 C LYS A 139 -5.639 24.357 -1.417 1.00129.96 C ATOM 1416 O LYS A 139 -6.700 24.473 -0.795 1.00131.82 O ATOM 1417 CB LYS A 139 -6.251 26.174 -3.026 1.00131.30 C ATOM 1418 CG LYS A 139 -5.780 27.230 -4.013 1.00131.99 C ATOM 1419 CD LYS A 139 -6.933 28.064 -4.545 1.00138.42 C ATOM 1420 CE LYS A 139 -6.448 29.404 -5.078 1.00138.85 C ATOM 1421 NZ LYS A 139 -5.233 29.271 -5.931 1.00134.51 N ATOM 1422 HZ1 LYS A 139 -4.463 28.850 -5.373 1.00 0.00 H ATOM 1423 HZ2 LYS A 139 -5.447 28.660 -6.745 1.00 0.00 H ATOM 1424 HZ3 LYS A 139 -4.943 30.211 -6.269 1.00 0.00 H ATOM 1425 H LYS A 139 -4.270 24.884 -4.114 1.00 0.00 H ATOM 1426 N SER A 140 -4.917 23.235 -1.406 1.00139.64 N ATOM 1427 CA SER A 140 -5.342 22.065 -0.647 1.00147.99 C ATOM 1428 C SER A 140 -4.985 22.200 0.827 1.00147.98 C ATOM 1429 O SER A 140 -5.788 21.845 1.697 1.00153.89 O ATOM 1430 CB SER A 140 -4.708 20.804 -1.233 1.00149.40 C ATOM 1431 OG SER A 140 -4.982 19.677 -0.421 1.00151.99 O ATOM 1432 HG SER A 140 -4.562 18.874 -0.820 1.00 0.00 H ATOM 1433 H SER A 140 -4.032 23.194 -1.951 1.00 0.00 H ATOM 1434 N GLU A 141 -3.786 22.701 1.122 1.00140.78 N ATOM 1435 CA GLU A 141 -3.223 22.867 2.456 1.00132.57 C ATOM 1436 C GLU A 141 -2.644 21.562 2.993 1.00121.16 C ATOM 1437 O GLU A 141 -1.958 21.589 4.016 1.00122.39 O ATOM 1438 CB GLU A 141 -4.233 23.420 3.482 1.00137.98 C ATOM 1439 CG GLU A 141 -4.984 24.664 3.023 1.00141.99 C ATOM 1440 CD GLU A 141 -6.272 24.884 3.792 1.00146.82 C ATOM 1441 OE1 GLU A 141 -6.346 25.864 4.562 1.00148.47 O ATOM 1442 OE2 GLU A 141 -7.210 24.076 3.626 1.00149.27 O ATOM 1443 H GLU A 141 -3.194 23.003 0.322 1.00 0.00 H ATOM 1444 N LYS A 142 -2.886 20.422 2.346 1.00107.58 N ATOM 1445 CA LYS A 142 -2.392 19.149 2.851 1.00 92.25 C ATOM 1446 C LYS A 142 -0.963 18.862 2.415 1.00 73.88 C ATOM 1447 O LYS A 142 -0.210 18.237 3.170 1.00 72.51 O ATOM 1448 CB LYS A 142 -3.303 18.008 2.390 1.00 96.12 C ATOM 1449 CG LYS A 142 -3.142 17.644 0.923 1.00 98.07 C ATOM 1450 CD LYS A 142 -4.363 16.908 0.392 1.00105.05 C ATOM 1451 CE LYS A 142 -4.295 16.737 -1.117 1.00107.40 C ATOM 1452 NZ LYS A 142 -3.066 16.010 -1.539 1.00104.30 N ATOM 1453 HZ1 LYS A 142 -2.227 16.543 -1.233 1.00 0.00 H ATOM 1454 HZ2 LYS A 142 -3.056 15.066 -1.103 1.00 0.00 H ATOM 1455 HZ3 LYS A 142 -3.059 15.915 -2.575 1.00 0.00 H ATOM 1456 H LYS A 142 -3.438 20.442 1.465 1.00 0.00 H ATOM 1457 N THR A 143 -0.572 19.297 1.219 1.00 51.94 N ATOM 1458 CA THR A 143 0.793 19.091 0.750 1.00 42.17 C ATOM 1459 C THR A 143 1.741 20.034 1.482 1.00 40.32 C ATOM 1460 O THR A 143 1.549 21.254 1.476 1.00 41.71 O ATOM 1461 CB THR A 143 0.879 19.305 -0.761 1.00 42.26 C ATOM 1462 OG1 THR A 143 0.066 18.333 -1.431 1.00 44.31 O ATOM 1463 CG2 THR A 143 2.320 19.169 -1.250 1.00 38.69 C ATOM 1464 HG1 THR A 143 0.124 18.474 -2.409 1.00 0.00 H ATOM 1465 H THR A 143 -1.252 19.793 0.608 1.00 0.00 H ATOM 1466 N HIS A 144 2.757 19.464 2.120 1.00 40.12 N ATOM 1467 CA HIS A 144 3.737 20.245 2.858 1.00 38.85 C ATOM 1468 C HIS A 144 4.761 20.843 1.900 1.00 38.19 C ATOM 1469 O HIS A 144 5.204 20.186 0.957 1.00 38.70 O ATOM 1470 CB HIS A 144 4.435 19.359 3.889 1.00 38.55 C ATOM 1471 CG HIS A 144 4.848 20.084 5.129 1.00 40.59 C ATOM 1472 ND1 HIS A 144 3.955 20.428 6.120 1.00 44.40 N ATOM 1473 CD2 HIS A 144 6.059 20.521 5.544 1.00 40.43 C ATOM 1474 CE1 HIS A 144 4.598 21.052 7.090 1.00 44.55 C ATOM 1475 NE2 HIS A 144 5.876 21.123 6.764 1.00 41.08 N ATOM 1476 H HIS A 144 2.855 18.429 2.091 1.00 0.00 H ATOM 1477 N ILE A 145 5.148 22.090 2.152 1.00 41.38 N ATOM 1478 CA ILE A 145 6.095 22.807 1.303 1.00 39.73 C ATOM 1479 C ILE A 145 7.380 23.034 2.082 1.00 37.03 C ATOM 1480 O ILE A 145 7.346 23.410 3.257 1.00 37.13 O ATOM 1481 CB ILE A 145 5.510 24.145 0.814 1.00 42.37 C ATOM 1482 CG1 ILE A 145 4.205 23.904 0.052 1.00 45.34 C ATOM 1483 CG2 ILE A 145 6.520 24.876 -0.069 1.00 41.86 C ATOM 1484 CD1 ILE A 145 3.436 25.173 -0.267 1.00 49.25 C ATOM 1485 H ILE A 145 4.761 22.574 2.987 1.00 0.00 H ATOM 1486 N HIS A 146 8.517 22.816 1.421 1.00 34.50 N ATOM 1487 CA HIS A 146 9.820 23.061 2.031 1.00 32.39 C ATOM 1488 C HIS A 146 10.741 23.654 0.975 1.00 31.41 C ATOM 1489 O HIS A 146 11.076 22.984 -0.007 1.00 29.60 O ATOM 1490 CB HIS A 146 10.412 21.770 2.606 1.00 31.90 C ATOM 1491 CG HIS A 146 11.583 21.996 3.513 1.00 34.87 C ATOM 1492 ND1 HIS A 146 11.794 21.250 4.651 1.00 36.05 N ATOM 1493 CD2 HIS A 146 12.600 22.887 3.453 1.00 37.64 C ATOM 1494 CE1 HIS A 146 12.893 21.669 5.253 1.00 38.19 C ATOM 1495 NE2 HIS A 146 13.403 22.661 4.545 1.00 38.85 N ATOM 1496 H HIS A 146 8.474 22.462 0.444 1.00 0.00 H ATOM 1497 N ILE A 147 11.157 24.900 1.191 1.00 35.36 N ATOM 1498 CA ILE A 147 11.922 25.672 0.219 1.00 36.61 C ATOM 1499 C ILE A 147 13.364 25.790 0.695 1.00 38.54 C ATOM 1500 O ILE A 147 13.620 26.059 1.874 1.00 39.93 O ATOM 1501 CB ILE A 147 11.312 27.074 0.021 1.00 38.37 C ATOM 1502 CG1 ILE A 147 9.824 26.980 -0.332 1.00 41.11 C ATOM 1503 CG2 ILE A 147 12.072 27.841 -1.045 1.00 37.79 C ATOM 1504 CD1 ILE A 147 9.522 26.188 -1.586 1.00 41.20 C ATOM 1505 H ILE A 147 10.924 25.346 2.101 1.00 0.00 H ATOM 1506 N PHE A 148 14.300 25.617 -0.236 1.00 37.18 N ATOM 1507 CA PHE A 148 15.717 25.850 -0.006 1.00 37.89 C ATOM 1508 C PHE A 148 16.206 26.940 -0.949 1.00 38.99 C ATOM 1509 O PHE A 148 15.708 27.084 -2.068 1.00 38.78 O ATOM 1510 CB PHE A 148 16.555 24.586 -0.238 1.00 36.05 C ATOM 1511 CG PHE A 148 16.264 23.472 0.724 1.00 34.90 C ATOM 1512 CD1 PHE A 148 15.276 22.542 0.448 1.00 33.12 C ATOM 1513 CD2 PHE A 148 16.992 23.342 1.894 1.00 35.59 C ATOM 1514 CE1 PHE A 148 15.011 21.513 1.326 1.00 33.32 C ATOM 1515 CE2 PHE A 148 16.733 22.315 2.776 1.00 36.24 C ATOM 1516 CZ PHE A 148 15.743 21.397 2.492 1.00 34.27 C ATOM 1517 H PHE A 148 14.001 25.298 -1.180 1.00 0.00 H ATOM 1518 N SER A 149 17.188 27.706 -0.486 1.00 41.09 N ATOM 1519 CA SER A 149 17.877 28.681 -1.312 1.00 41.95 C ATOM 1520 C SER A 149 19.345 28.294 -1.403 1.00 44.22 C ATOM 1521 O SER A 149 19.831 27.430 -0.670 1.00 45.30 O ATOM 1522 CB SER A 149 17.734 30.102 -0.750 1.00 45.93 C ATOM 1523 OG SER A 149 18.460 30.263 0.460 1.00 46.47 O ATOM 1524 HG SER A 149 18.345 31.189 0.792 1.00 0.00 H ATOM 1525 H SER A 149 17.475 27.603 0.508 1.00 0.00 H ATOM 1526 N PHE A 150 20.046 28.927 -2.336 1.00 37.46 N ATOM 1527 CA PHE A 150 21.472 28.691 -2.499 1.00 39.45 C ATOM 1528 C PHE A 150 22.316 29.425 -1.462 1.00 44.79 C ATOM 1529 O PHE A 150 23.541 29.268 -1.465 1.00 48.91 O ATOM 1530 CB PHE A 150 21.914 29.112 -3.902 1.00 37.84 C ATOM 1531 CG PHE A 150 21.494 28.162 -4.985 1.00 36.14 C ATOM 1532 CD1 PHE A 150 20.261 28.297 -5.605 1.00 36.47 C ATOM 1533 CD2 PHE A 150 22.337 27.144 -5.398 1.00 34.86 C ATOM 1534 CE1 PHE A 150 19.874 27.431 -6.605 1.00 35.48 C ATOM 1535 CE2 PHE A 150 21.954 26.275 -6.406 1.00 33.89 C ATOM 1536 CZ PHE A 150 20.721 26.421 -7.008 1.00 34.17 C ATOM 1537 H PHE A 150 19.566 29.605 -2.962 1.00 0.00 H ATOM 1538 N THR A 151 21.700 30.218 -0.584 1.00 46.86 N ATOM 1539 CA THR A 151 22.426 30.970 0.433 1.00 50.60 C ATOM 1540 C THR A 151 22.088 30.518 1.850 1.00 46.98 C ATOM 1541 O THR A 151 22.504 31.175 2.813 1.00 48.52 O ATOM 1542 CB THR A 151 22.158 32.472 0.283 1.00 58.26 C ATOM 1543 OG1 THR A 151 20.751 32.722 0.348 1.00 61.66 O ATOM 1544 CG2 THR A 151 22.698 32.984 -1.051 1.00 60.20 C ATOM 1545 HG1 THR A 151 20.402 32.412 1.221 1.00 0.00 H ATOM 1546 H THR A 151 20.664 30.303 -0.626 1.00 0.00 H ATOM 1547 N GLY A 152 21.334 29.431 2.009 1.00 43.57 N ATOM 1548 CA GLY A 152 21.134 28.812 3.303 1.00 45.74 C ATOM 1549 C GLY A 152 19.786 29.059 3.947 1.00 47.39 C ATOM 1550 O GLY A 152 19.494 28.437 4.977 1.00 45.36 O ATOM 1551 H GLY A 152 20.873 29.013 1.176 1.00 0.00 H ATOM 1552 N GLU A 153 18.963 29.945 3.393 1.00 50.79 N ATOM 1553 CA GLU A 153 17.654 30.202 3.972 1.00 53.26 C ATOM 1554 C GLU A 153 16.696 29.061 3.654 1.00 47.14 C ATOM 1555 O GLU A 153 16.813 28.390 2.626 1.00 43.51 O ATOM 1556 CB GLU A 153 17.073 31.517 3.453 1.00 61.37 C ATOM 1557 CG GLU A 153 17.830 32.755 3.904 1.00 70.32 C ATOM 1558 CD GLU A 153 19.025 33.060 3.026 1.00 75.20 C ATOM 1559 OE1 GLU A 153 19.242 32.322 2.043 1.00 73.54 O ATOM 1560 OE2 GLU A 153 19.747 34.038 3.318 1.00 80.45 O ATOM 1561 H GLU A 153 19.258 30.459 2.538 1.00 0.00 H ATOM 1562 N GLU A 154 15.753 28.835 4.567 1.00 46.87 N ATOM 1563 CA GLU A 154 14.707 27.837 4.404 1.00 44.64 C ATOM 1564 C GLU A 154 13.364 28.446 4.766 1.00 43.98 C ATOM 1565 O GLU A 154 13.282 29.366 5.583 1.00 45.79 O ATOM 1566 CB GLU A 154 14.927 26.603 5.290 1.00 44.84 C ATOM 1567 CG GLU A 154 16.151 25.778 4.992 1.00 42.66 C ATOM 1568 CD GLU A 154 16.347 24.684 6.026 1.00 40.06 C ATOM 1569 OE1 GLU A 154 17.019 24.952 7.040 1.00 39.69 O ATOM 1570 OE2 GLU A 154 15.798 23.572 5.848 1.00 36.80 O ATOM 1571 H GLU A 154 15.765 29.400 5.440 1.00 0.00 H ATOM 1572 N MET A 155 12.309 27.911 4.160 1.00 42.19 N ATOM 1573 CA MET A 155 10.954 28.193 4.608 1.00 44.25 C ATOM 1574 C MET A 155 10.119 26.938 4.414 1.00 42.63 C ATOM 1575 O MET A 155 10.135 26.342 3.331 1.00 40.84 O ATOM 1576 CB MET A 155 10.337 29.373 3.850 1.00 48.89 C ATOM 1577 CG MET A 155 8.929 29.717 4.319 1.00 56.02 C ATOM 1578 SD MET A 155 8.352 31.322 3.742 1.00 63.67 S ATOM 1579 CE MET A 155 6.716 31.381 4.470 1.00 68.78 C ATOM 1580 H MET A 155 12.455 27.277 3.348 1.00 0.00 H ATOM 1581 N ALA A 156 9.412 26.533 5.467 1.00 43.53 N ATOM 1582 CA ALA A 156 8.590 25.335 5.436 1.00 42.43 C ATOM 1583 C ALA A 156 7.223 25.640 6.029 1.00 45.06 C ATOM 1584 O ALA A 156 7.080 26.510 6.893 1.00 47.56 O ATOM 1585 CB ALA A 156 9.245 24.178 6.203 1.00 40.78 C ATOM 1586 H ALA A 156 9.449 27.094 6.342 1.00 0.00 H ATOM 1587 N THR A 157 6.221 24.904 5.559 1.00 44.77 N ATOM 1588 CA THR A 157 4.851 25.123 6.001 1.00 47.47 C ATOM 1589 C THR A 157 4.745 24.989 7.516 1.00 48.82 C ATOM 1590 O THR A 157 5.244 24.025 8.103 1.00 47.22 O ATOM 1591 CB THR A 157 3.919 24.127 5.308 1.00 46.77 C ATOM 1592 OG1 THR A 157 4.004 24.299 3.890 1.00 45.98 O ATOM 1593 CG2 THR A 157 2.481 24.325 5.752 1.00 49.86 C ATOM 1594 HG1 THR A 157 3.735 25.222 3.654 1.00 0.00 H ATOM 1595 H THR A 157 6.419 24.158 4.862 1.00 0.00 H ATOM 1596 N LYS A 158 4.098 25.971 8.147 1.00 52.19 N ATOM 1597 CA LYS A 158 3.843 25.953 9.589 1.00 54.25 C ATOM 1598 C LYS A 158 5.128 25.823 10.401 1.00 53.17 C ATOM 1599 O LYS A 158 5.115 25.292 11.515 1.00 53.90 O ATOM 1600 CB LYS A 158 2.875 24.827 9.961 1.00 58.55 C ATOM 1601 CG LYS A 158 1.462 25.014 9.428 1.00 66.73 C ATOM 1602 CD LYS A 158 0.540 23.887 9.876 1.00 72.24 C ATOM 1603 CE LYS A 158 0.208 23.974 11.361 1.00 78.71 C ATOM 1604 NZ LYS A 158 -0.504 25.234 11.721 1.00 84.99 N ATOM 1605 HZ1 LYS A 158 0.094 26.050 11.480 1.00 0.00 H ATOM 1606 HZ2 LYS A 158 -1.397 25.289 11.191 1.00 0.00 H ATOM 1607 HZ3 LYS A 158 -0.704 25.238 12.742 1.00 0.00 H ATOM 1608 H LYS A 158 3.761 26.783 7.591 1.00 0.00 H ATOM 1609 N ALA A 159 6.245 26.309 9.861 1.00 51.78 N ATOM 1610 CA ALA A 159 7.541 26.225 10.535 1.00 51.00 C ATOM 1611 C ALA A 159 7.888 24.788 10.913 1.00 48.88 C ATOM 1612 O ALA A 159 8.629 24.548 11.871 1.00 49.33 O ATOM 1613 CB ALA A 159 7.577 27.122 11.776 1.00 54.47 C ATOM 1614 H ALA A 159 6.194 26.764 8.927 1.00 0.00 H ATOM 1615 N ASP A 160 7.349 23.832 10.156 1.00 46.96 N ATOM 1616 CA ASP A 160 7.601 22.405 10.344 1.00 45.17 C ATOM 1617 C ASP A 160 8.575 21.960 9.258 1.00 42.25 C ATOM 1618 O ASP A 160 8.207 21.882 8.082 1.00 41.02 O ATOM 1619 CB ASP A 160 6.291 21.621 10.266 1.00 45.55 C ATOM 1620 CG ASP A 160 6.467 20.134 10.526 1.00 45.71 C ATOM 1621 OD1 ASP A 160 7.611 19.638 10.495 1.00 45.04 O ATOM 1622 OD2 ASP A 160 5.444 19.449 10.740 1.00 47.64 O ATOM 1623 H ASP A 160 6.711 24.119 9.386 1.00 0.00 H ATOM 1624 N TYR A 161 9.806 21.640 9.656 1.00 41.49 N ATOM 1625 CA TYR A 161 10.891 21.392 8.713 1.00 39.26 C ATOM 1626 C TYR A 161 11.202 19.914 8.515 1.00 37.68 C ATOM 1627 O TYR A 161 12.150 19.590 7.793 1.00 36.12 O ATOM 1628 CB TYR A 161 12.141 22.153 9.173 1.00 39.92 C ATOM 1629 CG TYR A 161 11.959 23.635 8.983 1.00 41.32 C ATOM 1630 CD1 TYR A 161 11.264 24.393 9.913 1.00 44.01 C ATOM 1631 CD2 TYR A 161 12.442 24.271 7.850 1.00 40.33 C ATOM 1632 CE1 TYR A 161 11.072 25.743 9.729 1.00 45.78 C ATOM 1633 CE2 TYR A 161 12.257 25.620 7.658 1.00 42.03 C ATOM 1634 CZ TYR A 161 11.568 26.350 8.596 1.00 44.80 C ATOM 1635 OH TYR A 161 11.383 27.697 8.404 1.00 46.97 O ATOM 1636 HH TYR A 161 12.264 28.145 8.345 1.00 0.00 H ATOM 1637 H TYR A 161 10.000 21.564 10.675 1.00 0.00 H ATOM 1638 N THR A 162 10.423 19.020 9.128 1.00 38.38 N ATOM 1639 CA THR A 162 10.459 17.589 8.842 1.00 37.33 C ATOM 1640 C THR A 162 11.761 16.924 9.273 1.00 37.22 C ATOM 1641 O THR A 162 11.739 16.009 10.103 1.00 38.33 O ATOM 1642 CB THR A 162 10.206 17.341 7.349 1.00 35.52 C ATOM 1643 OG1 THR A 162 8.916 17.857 6.993 1.00 36.16 O ATOM 1644 CG2 THR A 162 10.262 15.850 7.025 1.00 34.82 C ATOM 1645 HG1 THR A 162 8.889 18.829 7.177 1.00 0.00 H ATOM 1646 H THR A 162 9.755 19.361 9.848 1.00 0.00 H ATOM 1647 N LEU A 163 12.889 17.348 8.711 1.00 36.22 N ATOM 1648 CA LEU A 163 14.163 16.681 8.933 1.00 36.28 C ATOM 1649 C LEU A 163 14.966 17.375 10.032 1.00 38.04 C ATOM 1650 O LEU A 163 14.751 18.545 10.354 1.00 38.82 O ATOM 1651 CB LEU A 163 14.990 16.656 7.646 1.00 34.52 C ATOM 1652 CG LEU A 163 14.365 16.004 6.411 1.00 33.01 C ATOM 1653 CD1 LEU A 163 15.330 16.066 5.246 1.00 31.75 C ATOM 1654 CD2 LEU A 163 13.956 14.565 6.692 1.00 33.83 C ATOM 1655 H LEU A 163 12.860 18.184 8.093 1.00 0.00 H ATOM 1656 N ASP A 164 15.933 16.635 10.571 1.00 39.02 N ATOM 1657 CA ASP A 164 16.886 17.157 11.538 1.00 41.00 C ATOM 1658 C ASP A 164 17.808 18.188 10.883 1.00 40.25 C ATOM 1659 O ASP A 164 17.845 18.348 9.660 1.00 38.22 O ATOM 1660 CB ASP A 164 17.718 16.013 12.111 1.00 42.50 C ATOM 1661 CG ASP A 164 18.474 15.258 11.028 1.00 47.84 C ATOM 1662 OD1 ASP A 164 17.834 14.496 10.269 1.00 51.12 O ATOM 1663 OD2 ASP A 164 19.704 15.437 10.917 1.00 49.89 O ATOM 1664 H ASP A 164 16.010 15.637 10.287 1.00 0.00 H ATOM 1665 N GLU A 165 18.596 18.870 11.718 1.00 42.25 N ATOM 1666 CA GLU A 165 19.464 19.930 11.214 1.00 42.05 C ATOM 1667 C GLU A 165 20.592 19.374 10.352 1.00 41.00 C ATOM 1668 O GLU A 165 20.972 19.990 9.348 1.00 39.69 O ATOM 1669 CB GLU A 165 20.033 20.739 12.383 1.00 44.94 C ATOM 1670 CG GLU A 165 18.986 21.551 13.132 1.00 46.34 C ATOM 1671 CD GLU A 165 18.450 22.713 12.313 1.00 45.28 C ATOM 1672 OE1 GLU A 165 19.248 23.376 11.611 1.00 44.77 O ATOM 1673 OE2 GLU A 165 17.228 22.964 12.369 1.00 45.28 O ATOM 1674 H GLU A 165 18.591 18.645 12.733 1.00 0.00 H ATOM 1675 N GLU A 166 21.140 18.215 10.720 1.00 41.92 N ATOM 1676 CA GLU A 166 22.269 17.668 9.975 1.00 45.61 C ATOM 1677 C GLU A 166 21.866 17.275 8.558 1.00 39.91 C ATOM 1678 O GLU A 166 22.614 17.524 7.606 1.00 39.60 O ATOM 1679 CB GLU A 166 22.853 16.468 10.722 1.00 56.34 C ATOM 1680 CG GLU A 166 23.587 16.845 12.001 1.00 69.55 C ATOM 1681 CD GLU A 166 24.154 15.642 12.742 1.00 80.77 C ATOM 1682 OE1 GLU A 166 24.057 14.512 12.218 1.00 84.60 O ATOM 1683 OE2 GLU A 166 24.695 15.830 13.853 1.00 85.26 O ATOM 1684 H GLU A 166 20.761 17.700 11.540 1.00 0.00 H ATOM 1685 N SER A 167 20.690 16.667 8.394 1.00 38.66 N ATOM 1686 CA SER A 167 20.219 16.314 7.058 1.00 37.99 C ATOM 1687 C SER A 167 20.069 17.553 6.187 1.00 35.71 C ATOM 1688 O SER A 167 20.538 17.588 5.043 1.00 36.95 O ATOM 1689 CB SER A 167 18.890 15.564 7.150 1.00 38.21 C ATOM 1690 OG SER A 167 19.059 14.302 7.773 1.00 41.18 O ATOM 1691 HG SER A 167 19.414 14.432 8.688 1.00 0.00 H ATOM 1692 H SER A 167 20.105 16.443 9.224 1.00 0.00 H ATOM 1693 N ARG A 168 19.413 18.586 6.714 1.00 34.60 N ATOM 1694 CA ARG A 168 19.223 19.802 5.937 1.00 33.86 C ATOM 1695 C ARG A 168 20.533 20.551 5.743 1.00 34.48 C ATOM 1696 O ARG A 168 20.690 21.268 4.750 1.00 33.75 O ATOM 1697 CB ARG A 168 18.174 20.680 6.615 1.00 34.74 C ATOM 1698 CG ARG A 168 16.748 20.191 6.365 1.00 33.96 C ATOM 1699 CD ARG A 168 15.811 20.464 7.540 1.00 35.54 C ATOM 1700 NE ARG A 168 15.910 21.850 7.984 1.00 37.05 N ATOM 1701 CZ ARG A 168 16.104 22.244 9.240 1.00 39.17 C ATOM 1702 NH1 ARG A 168 16.201 21.368 10.233 1.00 40.09 N ATOM 1703 NH2 ARG A 168 16.190 23.538 9.503 1.00 40.75 N ATOM 1704 HE ARG A 168 15.822 22.591 7.259 1.00 0.00 H ATOM 1705 HH12 ARG A 168 16.353 21.700 11.207 1.00 0.00 H ATOM 1706 HH11 ARG A 168 16.125 20.349 10.037 1.00 0.00 H ATOM 1707 HH22 ARG A 168 16.342 23.861 10.480 1.00 0.00 H ATOM 1708 HH21 ARG A 168 16.106 24.232 8.733 1.00 0.00 H ATOM 1709 H ARG A 168 19.036 18.523 7.681 1.00 0.00 H ATOM 1710 N ALA A 169 21.495 20.374 6.653 1.00 36.12 N ATOM 1711 CA ALA A 169 22.802 20.995 6.471 1.00 37.03 C ATOM 1712 C ALA A 169 23.548 20.370 5.299 1.00 35.93 C ATOM 1713 O ALA A 169 24.272 21.065 4.577 1.00 35.91 O ATOM 1714 CB ALA A 169 23.631 20.876 7.750 1.00 39.51 C ATOM 1715 H ALA A 169 21.311 19.791 7.494 1.00 0.00 H ATOM 1716 N ARG A 170 23.380 19.063 5.090 1.00 35.30 N ATOM 1717 CA ARG A 170 23.997 18.415 3.937 1.00 34.55 C ATOM 1718 C ARG A 170 23.480 19.025 2.641 1.00 32.83 C ATOM 1719 O ARG A 170 24.254 19.310 1.720 1.00 32.73 O ATOM 1720 CB ARG A 170 23.720 16.910 3.964 1.00 40.34 C ATOM 1721 CG ARG A 170 24.441 16.157 5.060 1.00 49.90 C ATOM 1722 CD ARG A 170 24.403 14.651 4.814 1.00 54.41 C ATOM 1723 NE ARG A 170 23.051 14.097 4.891 1.00 55.51 N ATOM 1724 CZ ARG A 170 22.488 13.611 5.996 1.00 58.92 C ATOM 1725 NH1 ARG A 170 23.147 13.603 7.148 1.00 61.75 N ATOM 1726 NH2 ARG A 170 21.252 13.129 5.950 1.00 57.94 N ATOM 1727 HE ARG A 170 22.487 14.082 4.017 1.00 0.00 H ATOM 1728 HH12 ARG A 170 22.695 13.220 8.003 1.00 0.00 H ATOM 1729 HH11 ARG A 170 24.115 13.979 7.196 1.00 0.00 H ATOM 1730 HH22 ARG A 170 20.810 12.749 6.811 1.00 0.00 H ATOM 1731 HH21 ARG A 170 20.726 13.132 5.053 1.00 0.00 H ATOM 1732 H ARG A 170 22.806 18.503 5.752 1.00 0.00 H ATOM 1733 N ILE A 171 22.162 19.208 2.548 1.00 31.88 N ATOM 1734 CA ILE A 171 21.556 19.810 1.363 1.00 31.47 C ATOM 1735 C ILE A 171 22.107 21.210 1.137 1.00 32.59 C ATOM 1736 O ILE A 171 22.530 21.560 0.030 1.00 32.65 O ATOM 1737 CB ILE A 171 20.023 19.819 1.502 1.00 31.73 C ATOM 1738 CG1 ILE A 171 19.484 18.388 1.425 1.00 33.36 C ATOM 1739 CG2 ILE A 171 19.377 20.705 0.438 1.00 33.09 C ATOM 1740 CD1 ILE A 171 18.014 18.249 1.820 1.00 33.44 C ATOM 1741 H ILE A 171 21.552 18.915 3.338 1.00 0.00 H ATOM 1742 N LYS A 172 22.100 22.037 2.186 1.00 32.46 N ATOM 1743 CA LYS A 172 22.563 23.413 2.046 1.00 33.51 C ATOM 1744 C LYS A 172 24.041 23.463 1.675 1.00 34.18 C ATOM 1745 O LYS A 172 24.463 24.324 0.893 1.00 34.56 O ATOM 1746 CB LYS A 172 22.295 24.176 3.345 1.00 35.12 C ATOM 1747 CG LYS A 172 20.807 24.390 3.615 1.00 34.94 C ATOM 1748 CD LYS A 172 20.542 25.113 4.932 1.00 37.69 C ATOM 1749 CE LYS A 172 20.650 24.168 6.112 1.00 40.98 C ATOM 1750 NZ LYS A 172 20.138 24.781 7.388 1.00 44.31 N ATOM 1751 HZ1 LYS A 172 20.691 25.634 7.608 1.00 0.00 H ATOM 1752 HZ2 LYS A 172 19.137 25.036 7.271 1.00 0.00 H ATOM 1753 HZ3 LYS A 172 20.234 24.095 8.164 1.00 0.00 H ATOM 1754 H LYS A 172 21.762 21.697 3.109 1.00 0.00 H ATOM 1755 N THR A 173 24.847 22.556 2.232 1.00 34.70 N ATOM 1756 CA THR A 173 26.258 22.504 1.859 1.00 35.66 C ATOM 1757 C THR A 173 26.417 22.154 0.386 1.00 34.53 C ATOM 1758 O THR A 173 27.288 22.700 -0.301 1.00 35.23 O ATOM 1759 CB THR A 173 27.001 21.494 2.734 1.00 36.88 C ATOM 1760 OG1 THR A 173 26.973 21.933 4.097 1.00 38.46 O ATOM 1761 CG2 THR A 173 28.458 21.353 2.288 1.00 38.21 C ATOM 1762 HG1 THR A 173 26.033 22.005 4.400 1.00 0.00 H ATOM 1763 H THR A 173 24.470 21.886 2.932 1.00 0.00 H ATOM 1764 N ARG A 174 25.596 21.232 -0.114 1.00 33.45 N ATOM 1765 CA ARG A 174 25.665 20.877 -1.526 1.00 33.14 C ATOM 1766 C ARG A 174 25.268 22.056 -2.405 1.00 33.37 C ATOM 1767 O ARG A 174 25.916 22.323 -3.426 1.00 34.28 O ATOM 1768 CB ARG A 174 24.772 19.668 -1.797 1.00 32.02 C ATOM 1769 CG ARG A 174 24.629 19.291 -3.259 1.00 33.73 C ATOM 1770 CD ARG A 174 25.981 19.023 -3.924 1.00 37.97 C ATOM 1771 NE ARG A 174 25.811 18.463 -5.264 1.00 37.39 N ATOM 1772 CZ ARG A 174 26.793 18.297 -6.148 1.00 42.05 C ATOM 1773 NH1 ARG A 174 28.036 18.650 -5.850 1.00 42.88 N ATOM 1774 NH2 ARG A 174 26.528 17.776 -7.340 1.00 42.25 N ATOM 1775 HE ARG A 174 24.853 18.173 -5.547 1.00 0.00 H ATOM 1776 HH12 ARG A 174 28.796 18.516 -6.547 1.00 0.00 H ATOM 1777 HH11 ARG A 174 28.251 19.061 -4.919 1.00 0.00 H ATOM 1778 HH22 ARG A 174 27.293 17.645 -8.032 1.00 0.00 H ATOM 1779 HH21 ARG A 174 25.555 17.499 -7.582 1.00 0.00 H ATOM 1780 H ARG A 174 24.904 20.764 0.505 1.00 0.00 H ATOM 1781 N LEU A 175 24.216 22.782 -2.020 1.00 32.34 N ATOM 1782 CA LEU A 175 23.799 23.943 -2.801 1.00 32.23 C ATOM 1783 C LEU A 175 24.874 25.019 -2.809 1.00 34.23 C ATOM 1784 O LEU A 175 25.082 25.689 -3.827 1.00 35.95 O ATOM 1785 CB LEU A 175 22.483 24.502 -2.257 1.00 32.23 C ATOM 1786 CG LEU A 175 21.266 23.593 -2.453 1.00 31.83 C ATOM 1787 CD1 LEU A 175 20.067 24.120 -1.685 1.00 34.62 C ATOM 1788 CD2 LEU A 175 20.923 23.453 -3.934 1.00 32.58 C ATOM 1789 H LEU A 175 23.692 22.520 -1.161 1.00 0.00 H ATOM 1790 N PHE A 176 25.585 25.189 -1.691 1.00 35.86 N ATOM 1791 CA PHE A 176 26.689 26.141 -1.669 1.00 40.39 C ATOM 1792 C PHE A 176 27.803 25.704 -2.608 1.00 37.67 C ATOM 1793 O PHE A 176 28.377 26.529 -3.326 1.00 38.04 O ATOM 1794 CB PHE A 176 27.229 26.303 -0.247 1.00 53.38 C ATOM 1795 CG PHE A 176 26.374 27.169 0.638 1.00 65.84 C ATOM 1796 CD1 PHE A 176 25.000 27.231 0.469 1.00 71.04 C ATOM 1797 CD2 PHE A 176 26.953 27.931 1.639 1.00 73.02 C ATOM 1798 CE1 PHE A 176 24.221 28.029 1.287 1.00 75.43 C ATOM 1799 CE2 PHE A 176 26.180 28.732 2.458 1.00 77.44 C ATOM 1800 CZ PHE A 176 24.814 28.782 2.281 1.00 77.98 C ATOM 1801 H PHE A 176 25.351 24.643 -0.837 1.00 0.00 H ATOM 1802 N THR A 177 28.132 24.411 -2.608 1.00 39.78 N ATOM 1803 CA THR A 177 29.157 23.908 -3.517 1.00 42.97 C ATOM 1804 C THR A 177 28.769 24.156 -4.970 1.00 39.81 C ATOM 1805 O THR A 177 29.619 24.513 -5.794 1.00 39.95 O ATOM 1806 CB THR A 177 29.390 22.416 -3.273 1.00 46.33 C ATOM 1807 OG1 THR A 177 29.753 22.207 -1.903 1.00 50.53 O ATOM 1808 CG2 THR A 177 30.501 21.886 -4.171 1.00 48.66 C ATOM 1809 HG1 THR A 177 29.023 22.528 -1.317 1.00 0.00 H ATOM 1810 H THR A 177 27.655 23.757 -1.956 1.00 0.00 H ATOM 1811 N ILE A 178 27.496 23.948 -5.307 1.00 37.90 N ATOM 1812 CA ILE A 178 27.038 24.181 -6.675 1.00 36.95 C ATOM 1813 C ILE A 178 27.222 25.645 -7.049 1.00 39.13 C ATOM 1814 O ILE A 178 27.810 25.969 -8.086 1.00 40.39 O ATOM 1815 CB ILE A 178 25.575 23.727 -6.832 1.00 35.04 C ATOM 1816 CG1 ILE A 178 25.502 22.203 -6.762 1.00 33.34 C ATOM 1817 CG2 ILE A 178 24.970 24.232 -8.156 1.00 35.64 C ATOM 1818 CD1 ILE A 178 24.105 21.655 -6.668 1.00 34.14 C ATOM 1819 H ILE A 178 26.821 23.616 -4.588 1.00 0.00 H ATOM 1820 N ARG A 179 26.737 26.551 -6.196 1.00 39.76 N ATOM 1821 CA ARG A 179 26.872 27.980 -6.462 1.00 40.90 C ATOM 1822 C ARG A 179 28.334 28.371 -6.644 1.00 41.25 C ATOM 1823 O ARG A 179 28.685 29.101 -7.581 1.00 41.13 O ATOM 1824 CB ARG A 179 26.237 28.780 -5.323 1.00 46.46 C ATOM 1825 CG ARG A 179 26.467 30.289 -5.387 1.00 54.77 C ATOM 1826 CD ARG A 179 25.945 30.982 -4.135 1.00 63.65 C ATOM 1827 NE ARG A 179 26.538 32.308 -3.963 1.00 74.96 N ATOM 1828 CZ ARG A 179 25.893 33.466 -4.095 1.00 82.49 C ATOM 1829 NH1 ARG A 179 24.601 33.500 -4.394 1.00 84.73 N ATOM 1830 NH2 ARG A 179 26.548 34.605 -3.918 1.00 86.40 N ATOM 1831 HE ARG A 179 27.548 32.350 -3.717 1.00 0.00 H ATOM 1832 HH12 ARG A 179 24.114 34.414 -4.493 1.00 0.00 H ATOM 1833 HH11 ARG A 179 24.075 32.613 -4.529 1.00 0.00 H ATOM 1834 HH22 ARG A 179 26.050 35.512 -4.020 1.00 0.00 H ATOM 1835 HH21 ARG A 179 27.560 34.591 -3.678 1.00 0.00 H ATOM 1836 H ARG A 179 26.256 26.234 -5.330 1.00 0.00 H ATOM 1837 N GLN A 180 29.204 27.902 -5.747 1.00 40.27 N ATOM 1838 CA GLN A 180 30.610 28.287 -5.813 1.00 44.25 C ATOM 1839 C GLN A 180 31.272 27.764 -7.080 1.00 41.98 C ATOM 1840 O GLN A 180 32.066 28.471 -7.707 1.00 43.83 O ATOM 1841 CB GLN A 180 31.352 27.784 -4.576 1.00 51.81 C ATOM 1842 CG GLN A 180 30.886 28.419 -3.278 1.00 61.03 C ATOM 1843 CD GLN A 180 31.036 29.926 -3.280 1.00 71.32 C ATOM 1844 OE1 GLN A 180 31.960 30.470 -3.886 1.00 75.61 O ATOM 1845 NE2 GLN A 180 30.127 30.611 -2.597 1.00 75.26 N ATOM 1846 HE22 GLN A 180 29.363 30.110 -2.100 1.00 0.00 H ATOM 1847 HE21 GLN A 180 30.178 31.649 -2.559 1.00 0.00 H ATOM 1848 H GLN A 180 28.878 27.259 -4.997 1.00 0.00 H ATOM 1849 N GLU A 181 30.967 26.525 -7.471 1.00 43.72 N ATOM 1850 CA GLU A 181 31.566 25.978 -8.685 1.00 46.49 C ATOM 1851 C GLU A 181 31.065 26.709 -9.927 1.00 46.95 C ATOM 1852 O GLU A 181 31.851 27.016 -10.833 1.00 48.65 O ATOM 1853 CB GLU A 181 31.288 24.480 -8.784 1.00 47.83 C ATOM 1854 CG GLU A 181 31.995 23.790 -9.950 1.00 51.47 C ATOM 1855 CD GLU A 181 33.510 23.907 -9.885 1.00 57.41 C ATOM 1856 OE1 GLU A 181 34.043 24.258 -8.810 1.00 59.67 O ATOM 1857 OE2 GLU A 181 34.171 23.647 -10.914 1.00 59.11 O ATOM 1858 H GLU A 181 30.304 25.950 -6.912 1.00 0.00 H ATOM 1859 N MET A 182 29.761 26.993 -9.995 1.00 44.39 N ATOM 1860 CA MET A 182 29.245 27.805 -11.093 1.00 43.29 C ATOM 1861 C MET A 182 29.963 29.146 -11.162 1.00 45.73 C ATOM 1862 O MET A 182 30.292 29.631 -12.252 1.00 48.60 O ATOM 1863 CB MET A 182 27.745 28.032 -10.930 1.00 42.20 C ATOM 1864 CG MET A 182 26.882 26.818 -11.190 1.00 41.20 C ATOM 1865 SD MET A 182 25.138 27.264 -11.200 1.00 41.90 S ATOM 1866 CE MET A 182 24.390 25.681 -11.550 1.00 40.13 C ATOM 1867 H MET A 182 29.113 26.635 -9.265 1.00 0.00 H ATOM 1868 N ALA A 183 30.198 29.767 -10.004 1.00 44.29 N ATOM 1869 CA ALA A 183 30.871 31.061 -9.976 1.00 46.85 C ATOM 1870 C ALA A 183 32.299 30.953 -10.496 1.00 48.41 C ATOM 1871 O ALA A 183 32.765 31.826 -11.236 1.00 50.71 O ATOM 1872 CB ALA A 183 30.858 31.624 -8.556 1.00 47.17 C ATOM 1873 H ALA A 183 29.898 29.324 -9.112 1.00 0.00 H ATOM 1874 N SER A 184 33.017 29.896 -10.108 1.00 47.90 N ATOM 1875 CA SER A 184 34.382 29.721 -10.597 1.00 52.04 C ATOM 1876 C SER A 184 34.415 29.580 -12.111 1.00 50.41 C ATOM 1877 O SER A 184 35.433 29.887 -12.742 1.00 52.54 O ATOM 1878 CB SER A 184 35.030 28.503 -9.939 1.00 54.37 C ATOM 1879 OG SER A 184 34.315 27.320 -10.247 1.00 54.18 O ATOM 1880 HG SER A 184 33.385 27.403 -9.918 1.00 0.00 H ATOM 1881 H SER A 184 32.604 29.197 -9.458 1.00 0.00 H ATOM 1882 N ARG A 185 33.321 29.111 -12.706 1.00 49.46 N ATOM 1883 CA ARG A 185 33.200 28.980 -14.150 1.00 50.13 C ATOM 1884 C ARG A 185 32.458 30.155 -14.780 1.00 51.35 C ATOM 1885 O ARG A 185 32.154 30.114 -15.977 1.00 52.58 O ATOM 1886 CB ARG A 185 32.493 27.667 -14.495 1.00 50.04 C ATOM 1887 CG ARG A 185 33.216 26.419 -14.008 1.00 51.11 C ATOM 1888 CD ARG A 185 32.308 25.203 -14.072 1.00 50.71 C ATOM 1889 NE ARG A 185 32.944 23.999 -13.535 1.00 51.19 N ATOM 1890 CZ ARG A 185 33.169 22.878 -14.217 1.00 51.07 C ATOM 1891 NH1 ARG A 185 32.808 22.759 -15.487 1.00 51.46 N ATOM 1892 NH2 ARG A 185 33.756 21.854 -13.615 1.00 49.97 N ATOM 1893 HE ARG A 185 33.245 24.021 -12.540 1.00 0.00 H ATOM 1894 HH12 ARG A 185 32.994 21.874 -16.000 1.00 0.00 H ATOM 1895 HH11 ARG A 185 32.339 23.551 -15.971 1.00 0.00 H ATOM 1896 HH22 ARG A 185 33.935 20.975 -14.141 1.00 0.00 H ATOM 1897 HH21 ARG A 185 34.037 21.929 -12.617 1.00 0.00 H ATOM 1898 H ARG A 185 32.516 28.825 -12.112 1.00 0.00 H ATOM 1899 N SER A 186 32.158 31.195 -14.000 1.00 51.22 N ATOM 1900 CA SER A 186 31.460 32.379 -14.499 1.00 53.05 C ATOM 1901 C SER A 186 30.092 32.020 -15.081 1.00 51.99 C ATOM 1902 O SER A 186 29.649 32.594 -16.078 1.00 53.96 O ATOM 1903 CB SER A 186 32.315 33.121 -15.528 1.00 56.26 C ATOM 1904 OG SER A 186 33.533 33.560 -14.946 1.00 57.62 O ATOM 1905 HG SER A 186 34.070 34.037 -15.627 1.00 0.00 H ATOM 1906 H SER A 186 32.431 31.162 -12.997 1.00 0.00 H ATOM 1907 N LEU A 187 29.408 31.070 -14.440 1.00 49.20 N ATOM 1908 CA LEU A 187 28.068 30.656 -14.836 1.00 48.18 C ATOM 1909 C LEU A 187 26.987 31.105 -13.865 1.00 47.37 C ATOM 1910 O LEU A 187 25.802 31.022 -14.206 1.00 47.23 O ATOM 1911 CB LEU A 187 27.998 29.126 -14.960 1.00 45.94 C ATOM 1912 CG LEU A 187 28.791 28.495 -16.102 1.00 47.53 C ATOM 1913 CD1 LEU A 187 28.984 27.009 -15.852 1.00 45.38 C ATOM 1914 CD2 LEU A 187 28.083 28.735 -17.432 1.00 49.92 C ATOM 1915 H LEU A 187 29.851 30.605 -13.622 1.00 0.00 H ATOM 1916 N TRP A 188 27.359 31.571 -12.672 1.00 47.17 N ATOM 1917 CA TRP A 188 26.375 31.798 -11.618 1.00 47.11 C ATOM 1918 C TRP A 188 25.481 32.991 -11.931 1.00 50.80 C ATOM 1919 O TRP A 188 24.256 32.916 -11.775 1.00 50.40 O ATOM 1920 CB TRP A 188 27.080 32.001 -10.277 1.00 46.11 C ATOM 1921 CG TRP A 188 26.141 32.446 -9.206 1.00 45.86 C ATOM 1922 CD1 TRP A 188 26.098 33.671 -8.607 1.00 48.08 C ATOM 1923 CD2 TRP A 188 25.092 31.673 -8.614 1.00 44.10 C ATOM 1924 NE1 TRP A 188 25.090 33.706 -7.674 1.00 48.14 N ATOM 1925 CE2 TRP A 188 24.457 32.491 -7.661 1.00 45.42 C ATOM 1926 CE3 TRP A 188 24.631 30.366 -8.797 1.00 42.76 C ATOM 1927 CZ2 TRP A 188 23.386 32.045 -6.892 1.00 43.85 C ATOM 1928 CZ3 TRP A 188 23.568 29.926 -8.032 1.00 41.50 C ATOM 1929 CH2 TRP A 188 22.958 30.762 -7.091 1.00 42.72 C ATOM 1930 HE1 TRP A 188 24.847 34.521 -7.076 1.00 0.00 H ATOM 1931 H TRP A 188 28.362 31.775 -12.490 1.00 0.00 H ATOM 1932 N ASP A 189 26.077 34.111 -12.343 1.00 56.69 N ATOM 1933 CA ASP A 189 25.300 35.324 -12.586 1.00 61.96 C ATOM 1934 C ASP A 189 24.120 35.049 -13.513 1.00 61.09 C ATOM 1935 O ASP A 189 22.970 35.368 -13.188 1.00 61.24 O ATOM 1936 CB ASP A 189 26.200 36.409 -13.178 1.00 70.11 C ATOM 1937 CG ASP A 189 27.317 36.818 -12.240 1.00 74.48 C ATOM 1938 OD1 ASP A 189 27.102 36.794 -11.009 1.00 74.38 O ATOM 1939 OD2 ASP A 189 28.410 37.165 -12.738 1.00 77.81 O ATOM 1940 H ASP A 189 27.106 34.121 -12.493 1.00 0.00 H ATOM 1941 N SER A 190 24.387 34.441 -14.671 1.00 58.01 N ATOM 1942 CA SER A 190 23.316 34.141 -15.615 1.00 58.97 C ATOM 1943 C SER A 190 22.334 33.135 -15.032 1.00 55.26 C ATOM 1944 O SER A 190 21.115 33.294 -15.167 1.00 55.61 O ATOM 1945 CB SER A 190 23.908 33.616 -16.923 1.00 60.82 C ATOM 1946 OG SER A 190 22.887 33.251 -17.834 1.00 62.92 O ATOM 1947 HG SER A 190 23.297 32.915 -18.670 1.00 0.00 H ATOM 1948 H SER A 190 25.367 34.179 -14.902 1.00 0.00 H ATOM 1949 N PHE A 191 22.847 32.093 -14.378 1.00 52.95 N ATOM 1950 CA PHE A 191 21.977 31.072 -13.808 1.00 49.50 C ATOM 1951 C PHE A 191 21.020 31.674 -12.786 1.00 50.53 C ATOM 1952 O PHE A 191 19.819 31.377 -12.798 1.00 50.57 O ATOM 1953 CB PHE A 191 22.828 29.967 -13.181 1.00 46.29 C ATOM 1954 CG PHE A 191 22.030 28.909 -12.471 1.00 43.65 C ATOM 1955 CD1 PHE A 191 21.282 27.988 -13.187 1.00 43.93 C ATOM 1956 CD2 PHE A 191 22.039 28.828 -11.090 1.00 42.08 C ATOM 1957 CE1 PHE A 191 20.551 27.012 -12.538 1.00 42.17 C ATOM 1958 CE2 PHE A 191 21.312 27.851 -10.433 1.00 40.59 C ATOM 1959 CZ PHE A 191 20.563 26.943 -11.161 1.00 40.56 C ATOM 1960 H PHE A 191 23.878 32.008 -14.273 1.00 0.00 H ATOM 1961 N ARG A 192 21.528 32.537 -11.904 1.00 51.63 N ATOM 1962 CA ARG A 192 20.681 33.147 -10.884 1.00 55.48 C ATOM 1963 C ARG A 192 19.597 34.015 -11.515 1.00 59.26 C ATOM 1964 O ARG A 192 18.421 33.929 -11.145 1.00 59.73 O ATOM 1965 CB ARG A 192 21.538 33.971 -9.921 1.00 59.04 C ATOM 1966 CG ARG A 192 20.750 34.679 -8.823 1.00 64.68 C ATOM 1967 CD ARG A 192 21.638 35.574 -7.973 1.00 71.03 C ATOM 1968 NE ARG A 192 22.299 36.606 -8.767 1.00 78.80 N ATOM 1969 CZ ARG A 192 21.720 37.736 -9.163 1.00 86.17 C ATOM 1970 NH1 ARG A 192 20.458 37.993 -8.845 1.00 88.22 N ATOM 1971 NH2 ARG A 192 22.406 38.613 -9.884 1.00 90.60 N ATOM 1972 HE ARG A 192 23.289 36.447 -9.041 1.00 0.00 H ATOM 1973 HH12 ARG A 192 20.013 38.879 -9.159 1.00 0.00 H ATOM 1974 HH11 ARG A 192 19.914 37.308 -8.282 1.00 0.00 H ATOM 1975 HH22 ARG A 192 21.955 39.497 -10.195 1.00 0.00 H ATOM 1976 HH21 ARG A 192 23.395 38.416 -10.139 1.00 0.00 H ATOM 1977 H ARG A 192 22.539 32.778 -11.944 1.00 0.00 H ATOM 1978 N GLN A 193 19.976 34.859 -12.475 1.00 63.04 N ATOM 1979 CA GLN A 193 19.038 35.806 -13.064 1.00 67.58 C ATOM 1980 C GLN A 193 18.017 35.146 -13.984 1.00 66.59 C ATOM 1981 O GLN A 193 17.035 35.799 -14.352 1.00 69.82 O ATOM 1982 CB GLN A 193 19.801 36.885 -13.836 1.00 74.15 C ATOM 1983 CG GLN A 193 20.692 37.755 -12.960 1.00 78.72 C ATOM 1984 CD GLN A 193 21.486 38.776 -13.755 1.00 85.04 C ATOM 1985 OE1 GLN A 193 21.453 38.786 -14.986 1.00 88.19 O ATOM 1986 NE2 GLN A 193 22.206 39.641 -13.051 1.00 87.47 N ATOM 1987 HE22 GLN A 193 22.204 39.595 -12.012 1.00 0.00 H ATOM 1988 HE21 GLN A 193 22.772 40.364 -13.538 1.00 0.00 H ATOM 1989 H GLN A 193 20.960 34.841 -12.810 1.00 0.00 H ATOM 1990 N SER A 194 18.211 33.881 -14.355 1.00 64.55 N ATOM 1991 CA SER A 194 17.319 33.226 -15.304 1.00 67.44 C ATOM 1992 C SER A 194 16.058 32.665 -14.658 1.00 69.22 C ATOM 1993 O SER A 194 15.169 32.203 -15.382 1.00 72.61 O ATOM 1994 CB SER A 194 18.063 32.102 -16.027 1.00 65.53 C ATOM 1995 OG SER A 194 18.419 31.073 -15.123 1.00 63.39 O ATOM 1996 HG SER A 194 19.007 31.444 -14.418 1.00 0.00 H ATOM 1997 H SER A 194 19.014 33.351 -13.960 1.00 0.00 H ATOM 1998 N GLU A 195 15.961 32.663 -13.332 1.00 67.26 N ATOM 1999 CA GLU A 195 14.745 32.190 -12.684 1.00 72.16 C ATOM 2000 C GLU A 195 13.622 33.204 -12.858 1.00 89.72 C ATOM 2001 O GLU A 195 13.818 34.411 -12.686 1.00 89.21 O ATOM 2002 CB GLU A 195 14.989 31.928 -11.198 1.00 64.16 C ATOM 2003 CG GLU A 195 13.760 31.404 -10.458 1.00 60.43 C ATOM 2004 CD GLU A 195 14.073 30.913 -9.054 1.00 57.01 C ATOM 2005 OE1 GLU A 195 15.186 30.392 -8.840 1.00 54.38 O ATOM 2006 OE2 GLU A 195 13.212 31.058 -8.160 1.00 57.76 O ATOM 2007 H GLU A 195 16.757 33.001 -12.754 1.00 0.00 H ATOM 2008 N ARG A 196 12.437 32.706 -13.198 1.00 55.67 N ATOM 2009 CA ARG A 196 11.275 33.546 -13.439 1.00 73.26 C ATOM 2010 C ARG A 196 10.096 33.014 -12.637 1.00 80.00 C ATOM 2011 O ARG A 196 10.053 31.842 -12.256 1.00 82.02 O ATOM 2012 CB ARG A 196 10.921 33.599 -14.932 1.00 83.82 C ATOM 2013 CG ARG A 196 12.025 34.173 -15.813 1.00 92.47 C ATOM 2014 CD ARG A 196 12.161 35.681 -15.642 1.00 99.05 C ATOM 2015 NE ARG A 196 11.007 36.404 -16.169 1.00104.13 N ATOM 2016 CZ ARG A 196 10.789 37.703 -15.988 1.00107.88 C ATOM 2017 NH1 ARG A 196 11.645 38.436 -15.286 1.00109.35 N ATOM 2018 NH2 ARG A 196 9.709 38.273 -16.505 1.00108.87 N ATOM 2019 HE ARG A 196 10.309 35.867 -16.723 1.00 0.00 H ATOM 2020 HH12 ARG A 196 11.469 39.452 -15.148 1.00 0.00 H ATOM 2021 HH11 ARG A 196 12.492 37.995 -14.874 1.00 0.00 H ATOM 2022 HH22 ARG A 196 9.539 39.289 -16.363 1.00 0.00 H ATOM 2023 HH21 ARG A 196 9.032 37.704 -17.052 1.00 0.00 H ATOM 2024 H ARG A 196 12.337 31.675 -13.295 1.00 0.00 H ATOM 2025 N GLY A 197 9.139 33.898 -12.375 1.00 83.14 N ATOM 2026 CA GLY A 197 7.953 33.535 -11.621 1.00 84.80 C ATOM 2027 C GLY A 197 7.119 34.735 -11.216 1.00 85.64 C ATOM 2028 O GLY A 197 7.256 35.820 -11.784 1.00 86.02 O ATOM 2029 H GLY A 197 9.242 34.874 -12.719 1.00 0.00 H TER 2030 GLY A 197 HETATM 2031 MN MN A 1 9.550 20.792 -6.410 1.00 38.04 MN HETATM 2032 MN MN A 2 8.241 18.159 -8.848 1.00 56.23 MN HETATM 2033 MG MG A 3 8.823 17.033 -12.024 1.00115.94 MG HETATM 2034 O HOH 4 23.328 34.033 -19.939 1.00 40.08 O HETATM 2035 O HOH 5 28.258 32.862 -17.880 1.00 51.96 O HETATM 2036 O HOH 6 9.768 6.018 -4.386 1.00 37.51 O HETATM 2037 O HOH 7 10.971 2.750 15.953 1.00113.83 O HETATM 2038 O HOH 8 1.176 7.574 5.406 1.00 56.35 O HETATM 2039 O HOH 9 19.449 17.478 -26.477 1.00 48.74 O HETATM 2040 O HOH 10 22.753 11.389 -19.858 1.00 61.70 O HETATM 2041 O HOH 11 18.921 12.643 4.276 1.00 43.10 O HETATM 2042 O HOH 12 16.971 27.889 -19.312 1.00 40.39 O HETATM 2043 O HOH 13 13.057 16.071 -12.184 1.00 32.14 O HETATM 2044 O HOH 14 4.755 17.439 12.081 1.00 44.97 O HETATM 2045 O HOH 15 14.773 17.427 -25.149 1.00 55.04 O HETATM 2046 O HOH 16 6.465 18.834 -7.762 1.00 28.27 O HETATM 2047 O HOH 17 8.103 17.358 11.524 1.00 56.30 O HETATM 2048 O HOH 18 16.676 26.928 -8.414 1.00 36.28 O HETATM 2049 O HOH 19 16.240 28.562 -15.108 1.00 36.65 O HETATM 2050 O HOH 20 26.842 34.014 -15.328 1.00 73.61 O HETATM 2051 O HOH 21 23.585 22.118 -21.873 1.00 44.61 O HETATM 2052 O HOH 22 22.960 17.948 -22.706 1.00 53.59 O HETATM 2053 O HOH 23 5.235 14.654 -24.006 1.00 47.89 O HETATM 2054 O HOH 24 1.355 20.317 5.880 1.00 46.98 O HETATM 2055 O HOH 25 4.286 19.230 -10.288 1.00 53.47 O HETATM 2056 O HOH 26 27.228 13.121 -15.059 1.00 35.77 O HETATM 2057 O HOH 27 20.284 22.695 9.278 1.00 43.82 O HETATM 2058 O HOH 28 11.562 11.489 -22.036 1.00 43.70 O HETATM 2059 O HOH 29 4.045 10.941 -21.012 1.00 47.81 O HETATM 2060 O HOH 30 17.998 25.692 11.204 1.00 38.62 O HETATM 2061 O HOH 31 13.535 7.422 2.355 1.00 38.99 O HETATM 2062 O HOH 32 9.380 20.321 6.047 1.00 33.16 O HETATM 2063 O HOH 33 26.580 17.994 1.487 1.00 49.78 O HETATM 2064 O HOH 34 7.655 13.189 -11.451 1.00 47.85 O HETATM 2065 O HOH 35 6.588 6.579 12.965 1.00 62.35 O HETATM 2066 O HOH 36 29.250 18.403 -3.439 1.00 43.32 O HETATM 2067 O HOH 37 13.978 29.176 -16.740 1.00 55.25 O HETATM 2068 O HOH 38 2.589 27.943 7.032 1.00 53.90 O HETATM 2069 O HOH 39 13.689 29.042 8.937 1.00 51.30 O HETATM 2070 O HOH 40 32.277 24.291 -5.246 1.00 54.81 O HETATM 2071 O HOH 41 13.744 27.353 -9.781 1.00 51.11 O HETATM 2072 O HOH 42 9.532 14.627 10.954 1.00 41.06 O HETATM 2073 O HOH 43 0.992 17.427 8.511 1.00 57.93 O HETATM 2074 O HOH 44 12.622 11.364 -15.925 1.00 36.94 O HETATM 2075 O HOH 45 6.252 22.110 -8.781 1.00 50.24 O HETATM 2076 O HOH 46 -0.356 15.280 1.795 1.00 41.14 O HETATM 2077 O HOH 47 24.956 14.212 -8.050 1.00 34.31 O HETATM 2078 O HOH 48 -0.567 11.665 10.416 1.00 57.39 O HETATM 2079 O HOH 49 7.363 16.141 -9.140 1.00 31.34 O HETATM 2080 O HOH 50 14.018 18.202 -10.830 1.00 27.68 O HETATM 2081 O HOH 51 18.763 26.569 1.798 1.00 44.66 O HETATM 2082 O HOH 52 8.857 16.112 -14.021 1.00130.26 O HETATM 2083 O HOH 53 1.863 15.058 9.985 1.00 58.49 O HETATM 2084 O HOH 54 31.867 24.549 -17.462 1.00 41.25 O HETATM 2085 O HOH 55 -1.692 3.265 -9.106 1.00 56.01 O HETATM 2086 O HOH 56 22.973 40.781 -16.243 1.00 59.31 O HETATM 2087 O HOH 57 24.872 30.151 -16.727 1.00 41.77 O HETATM 2088 O HOH 58 -0.565 17.385 5.858 1.00 46.97 O HETATM 2089 O HOH 59 7.055 15.916 5.826 1.00 34.68 O HETATM 2090 O HOH 60 11.955 24.236 -7.135 1.00 30.77 O HETATM 2091 O HOH 61 10.539 11.680 -17.700 1.00 39.52 O HETATM 2092 O HOH 62 13.020 13.588 10.903 1.00 39.13 O HETATM 2093 O HOH 63 14.830 19.679 12.995 1.00 52.00 O HETATM 2094 O HOH 64 9.313 5.251 -12.387 1.00 39.56 O HETATM 2095 O HOH 65 7.544 18.762 -10.806 1.00 33.59 O HETATM 2096 O HOH 66 16.885 0.000 0.000 1.00 68.39 O HETATM 2097 O HOH 67 33.294 24.514 -19.990 1.00 42.04 O HETATM 2098 O HOH 68 13.512 14.254 -13.967 1.00 34.82 O HETATM 2099 O HOH 69 35.318 27.987 -16.692 1.00 49.73 O HETATM 2100 O HOH 70 29.062 34.290 -12.435 1.00 42.56 O HETATM 2101 O HOH 71 11.598 29.488 -13.202 1.00 56.71 O HETATM 2102 O HOH 72 30.650 17.914 -21.215 1.00 53.76 O HETATM 2103 O HOH 73 29.982 16.567 -7.457 1.00 54.25 O HETATM 2104 O HOH 74 24.493 23.411 -23.842 1.00 77.96 O HETATM 2105 O HOH 75 1.204 18.851 -4.947 1.00 41.95 O HETATM 2106 O HOH 76 2.868 21.004 10.491 1.00 48.53 O HETATM 2107 O HOH 77 16.531 24.390 -8.788 1.00 30.83 O HETATM 2108 O HOH 78 26.394 30.109 -0.888 1.00 59.50 O HETATM 2109 O HOH 79 1.545 15.751 -14.741 1.00 47.72 O HETATM 2110 O HOH 80 23.922 10.754 -17.924 1.00 49.11 O HETATM 2111 O HOH 81 10.694 13.995 -13.685 1.00 43.63 O HETATM 2112 O HOH 82 9.786 6.759 -14.804 1.00 40.97 O HETATM 2113 O HOH 83 7.755 18.244 -13.581 1.00 67.84 O HETATM 2114 O HOH 84 5.102 9.248 -19.191 1.00 44.66 O HETATM 2115 O HOH 85 28.586 17.463 -22.875 1.00 56.22 O HETATM 2116 O HOH 86 15.682 29.382 7.749 1.00 42.12 O HETATM 2117 O HOH 87 19.240 31.943 -3.205 1.00 57.21 O HETATM 2118 O HOH 88 13.725 24.401 -8.990 1.00 41.16 O HETATM 2119 O HOH 89 1.615 17.887 -12.667 1.00 51.42 O HETATM 2120 O HOH 90 28.737 19.116 -1.123 1.00 49.90 O HETATM 2121 O HOH 91 26.204 12.318 -17.691 1.00 53.09 O HETATM 2122 O HOH 92 27.078 19.192 6.154 1.00 52.22 O HETATM 2123 O HOH 93 7.162 15.516 -11.852 1.00 52.43 O HETATM 2124 O HOH 94 11.907 7.054 -15.245 1.00 58.23 O HETATM 2125 O HOH 95 28.374 35.661 -18.408 1.00 54.27 O HETATM 2126 O HOH 96 24.702 7.915 -18.263 1.00 56.73 O HETATM 2127 O HOH 97 28.035 17.827 3.949 1.00 53.98 O HETATM 2128 O01 KKV A 98 9.028 20.022 -8.438 1.00 -0.41 O HETATM 2129 C02 KKV A 98 9.587 20.844 -9.179 1.00 0.24 C HETATM 2130 C03 KKV A 98 9.993 22.188 -8.812 1.00 0.15 C HETATM 2131 O04 KKV A 98 9.707 22.531 -7.543 1.00 -0.33 O HETATM 2132 H1 KKV A 98 10.149 21.936 -6.948 1.00 0.25 H HETATM 2133 C05 KKV A 98 10.592 22.990 -9.713 1.00 -0.04 C HETATM 2134 C06 KKV A 98 10.869 22.570 -11.059 1.00 -0.00 C HETATM 2135 C07 KKV A 98 11.549 23.522 -11.965 1.00 -0.04 C HETATM 2136 C08 KKV A 98 12.836 23.320 -12.454 1.00 -0.06 C HETATM 2137 C09 KKV A 98 13.454 24.275 -13.266 1.00 -0.06 C HETATM 2138 C10 KKV A 98 12.828 25.473 -13.614 1.00 0.00 C HETATM 2139 C11 KKV A 98 13.526 26.563 -14.525 1.00 0.06 C HETATM 2140 O12 KKV A 98 12.791 27.391 -15.077 1.00 -0.56 O HETATM 2141 O13 KKV A 98 14.761 26.523 -14.597 1.00 -0.56 O HETATM 2142 C14 KKV A 98 11.549 25.672 -13.101 1.00 -0.06 C HETATM 2143 C15 KKV A 98 10.922 24.729 -12.289 1.00 -0.06 C HETATM 2144 H6 KKV A 98 9.931 24.935 -11.902 1.00 0.06 H HETATM 2145 H5 KKV A 98 11.024 26.590 -13.341 1.00 0.06 H HETATM 2146 H4 KKV A 98 14.453 24.079 -13.638 1.00 0.06 H HETATM 2147 H3 KKV A 98 13.367 22.409 -12.202 1.00 0.06 H HETATM 2148 C16 KKV A 98 10.500 21.284 -11.454 1.00 0.10 C HETATM 2149 C17 KKV A 98 10.714 20.681 -12.787 1.00 0.01 C HETATM 2150 C18 KKV A 98 10.307 21.320 -13.973 1.00 -0.05 C HETATM 2151 C19 KKV A 98 10.517 20.722 -15.213 1.00 -0.03 C HETATM 2152 C20 KKV A 98 11.123 19.471 -15.219 1.00 0.13 C HETATM 2153 F21 KKV A 98 11.329 18.866 -16.418 1.00 -0.18 F HETATM 2154 C22 KKV A 98 11.529 18.797 -14.082 1.00 -0.03 C HETATM 2155 C23 KKV A 98 11.305 19.426 -12.866 1.00 -0.05 C HETATM 2156 H10 KKV A 98 11.599 18.924 -11.951 1.00 0.06 H HETATM 2157 H9 KKV A 98 12.000 17.823 -14.138 1.00 0.06 H HETATM 2158 H8 KKV A 98 10.221 21.211 -16.134 1.00 0.06 H HETATM 2159 H7 KKV A 98 9.824 22.289 -13.921 1.00 0.06 H HETATM 2160 N24 KKV A 98 9.877 20.465 -10.497 1.00 -0.22 N HETATM 2161 H11 KKV A 98 9.621 19.540 -10.778 1.00 0.25 H HETATM 2162 H2 KKV A 98 10.878 23.996 -9.410 1.00 0.05 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 431 429 430 2031 CONECT 810 809 2032 2033 CONECT 811 809 2033 CONECT 1080 1079 2032 CONECT 1081 1079 2031 CONECT 1209 1207 2031 CONECT 1214 1213 2031 CONECT 2031 431 1081 1209 1214 CONECT 2032 810 1080 CONECT 2033 810 811 CONECT 2128 2129 CONECT 2129 2128 2130 2160 CONECT 2130 2129 2131 2133 CONECT 2131 2130 2132 CONECT 2132 2131 CONECT 2133 2130 2134 2162 CONECT 2134 2133 2135 2148 CONECT 2135 2134 2136 2143 CONECT 2136 2135 2137 2147 CONECT 2137 2136 2138 2146 CONECT 2138 2137 2139 2142 CONECT 2139 2138 2140 2141 CONECT 2140 2139 CONECT 2141 2139 CONECT 2142 2138 2143 2145 CONECT 2143 2135 2142 2144 CONECT 2144 2143 CONECT 2145 2142 CONECT 2146 2137 CONECT 2147 2136 CONECT 2148 2134 2149 2160 CONECT 2149 2148 2150 2155 CONECT 2150 2149 2151 2159 CONECT 2151 2150 2152 2158 CONECT 2152 2151 2153 2154 CONECT 2153 2152 CONECT 2154 2152 2155 2157 CONECT 2155 2149 2154 2156 CONECT 2156 2155 CONECT 2157 2154 CONECT 2158 2151 CONECT 2159 2150 CONECT 2160 2129 2148 2161 CONECT 2161 2160 CONECT 2162 2133 MASTER 0 0 0 0 0 0 0 0 2161 1 49 16 END
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Related entries of code: 6nel
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
4avg
RCSB PDB
PDBbind
204aa, >4AVG_1|Chains... at 97%
4awf
RCSB PDB
PDBbind
204aa, >4AWF_1|Chains... at 97%
4awg
RCSB PDB
PDBbind
204aa, >4AWG_1|Chains... at 97%
4awm
RCSB PDB
PDBbind
192aa, >4AWM_1|Chain... at 96%
4e5f
RCSB PDB
PDBbind
187aa, >4E5F_1|Chains... at 91%
4e5g
RCSB PDB
PDBbind
187aa, >4E5G_1|Chains... at 91%
4e5h
RCSB PDB
PDBbind
187aa, >4E5H_1|Chains... at 91%
4e5i
RCSB PDB
PDBbind
187aa, >4E5I_1|Chains... at 91%
4e5j
RCSB PDB
PDBbind
187aa, >4E5J_1|Chains... at 91%
4kil
RCSB PDB
PDBbind
213aa, >4KIL_1|Chain... at 98%
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RCSB PDB
PDBbind
209aa, >4LN7_1|Chain... at 100%
4m4q
RCSB PDB
PDBbind
241aa, >4M4Q_1|Chain... *
4m5o
RCSB PDB
PDBbind
241aa, >4M5O_1|Chain... at 100%
4m5r
RCSB PDB
PDBbind
241aa, >4M5R_1|Chain... at 100%
4m5u
RCSB PDB
PDBbind
241aa, >4M5U_1|Chain... at 100%
4mk1
RCSB PDB
PDBbind
241aa, >4MK1_1|Chain... at 100%
4mk2
RCSB PDB
PDBbind
241aa, >4MK2_1|Chain... at 100%
4mk5
RCSB PDB
PDBbind
241aa, >4MK5_1|Chain... at 100%
4w9s
RCSB PDB
PDBbind
241aa, >4W9S_1|Chain... at 100%
5cgv
RCSB PDB
PDBbind
187aa, >5CGV_1|Chain... at 94%
5ega
RCSB PDB
PDBbind
187aa, >5EGA_1|Chain... at 94%
5w44
RCSB PDB
PDBbind
178aa, >5W44_1|Chain... at 98%
5w73
RCSB PDB
PDBbind
197aa, >5W73_1|Chain... at 93%
5w7u
RCSB PDB
PDBbind
197aa, >5W7U_1|Chain... at 93%
5w92
RCSB PDB
PDBbind
197aa, >5W92_1|Chain... at 93%
5w9g
RCSB PDB
PDBbind
197aa, >5W9G_1|Chain... at 93%
5wa7
RCSB PDB
PDBbind
197aa, >5WA7_1|Chain... at 93%
5wap
RCSB PDB
PDBbind
197aa, >5WAP_1|Chain... at 93%
5wb3
RCSB PDB
PDBbind
197aa, >5WB3_1|Chain... at 93%
5wdc
RCSB PDB
PDBbind
197aa, >5WDC_1|Chain... at 93%
5wdw
RCSB PDB
PDBbind
197aa, >5WDW_1|Chain... at 93%
5we9
RCSB PDB
PDBbind
187aa, >5WE9_1|Chain... at 94%
5web
RCSB PDB
PDBbind
197aa, >5WEB_1|Chain... at 93%
5wef
RCSB PDB
PDBbind
187aa, >5WEF_1|Chain... at 93%
5wei
RCSB PDB
PDBbind
197aa, >5WEI_1|Chain... at 92%
5wf3
RCSB PDB
PDBbind
197aa, >5WF3_1|Chain... at 92%
5wfm
RCSB PDB
PDBbind
197aa, >5WFM_1|Chain... at 92%
5wfw
RCSB PDB
PDBbind
197aa, >5WFW_1|Chain... at 92%
5wfz
RCSB PDB
PDBbind
197aa, >5WFZ_1|Chain... at 92%
5wg9
RCSB PDB
PDBbind
197aa, >5WG9_1|Chain... at 92%
6dcy
RCSB PDB
PDBbind
192aa, >6DCY_1|Chain... at 96%
6dcz
RCSB PDB
PDBbind
192aa, >6DCZ_1|Chain... at 96%
6dzq
RCSB PDB
PDBbind
192aa, >6DZQ_1|Chain... at 96%
6e0q
RCSB PDB
PDBbind
192aa, >6E0Q_1|Chain... at 96%
6nem
RCSB PDB
PDBbind
241aa, >6NEM_1|Chain... at 100%
6e6w
RCSB PDB
PDBbind
192aa, >6E6W_1|Chain... at 96%
6e6v
RCSB PDB
PDBbind
192aa, >6E6V_1|Chain... at 96%
6e4c
RCSB PDB
PDBbind
192aa, >6E4C_1|Chain... at 96%
6e3p
RCSB PDB
PDBbind
192aa, >6E3P_1|Chain... at 96%
6e3n
RCSB PDB
PDBbind
192aa, >6E3N_1|Chain... at 96%
6e3o
RCSB PDB
PDBbind
192aa, >6E3O_1|Chain... at 96%
6e3m
RCSB PDB
PDBbind
192aa, >6E3M_1|Chain... at 96%
5wa6
RCSB PDB
PDBbind
197aa, >5WA6_1|Chain... at 93%
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
6nel
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
influenza 2009 pH1N1 endonuclease
Ligand Name
KKV
EC.Number
E.C.-.-.-.-
Resolution
2(Å)
Affinity (Kd/Ki/IC50)
IC50=11nM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Chemmedchem Vol. 14: pp. 1204-1223
Ligand Properties
Formula
C
1
8
H
1
2
FNO
4
Molecular Weight
325.291
Exact Mass
325.075
No. of atoms
36
No. of bonds
38
Polar Surface Area
90.39
LOGP Value
3.58 (
Computed with XLOGP3
)
3.25 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 3
Canonical SMILES
Fc1ccc(cc1)c1[nH]c(=O)c(cc1c1ccc(cc1)C(=O)O)O
InChI String
InChI=1S/C18H12FNO4/c19-13-7-5-11(6-8-13)16-14(9-15(21)17(22)20-16)10-1-3-12(4-2-10)18(23)24/h1-9,21H,(H,20,22)(H,23,24)
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):
C6H0Y9
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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