Browse entries in the PDBbind-CN Database
HEADER 6GXG_COMPLEX COMPND 6GXG_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 144 ALA MET GLY SER GLY LEU ALA LYS TYR LEU PRO GLY ALA SEQRES 2 A 144 THR ASN LEU LEU SER LYS SER GLY GLU VAL SER LEU GLY SEQRES 3 A 144 SER LEU VAL GLY LYS THR VAL PHE LEU TYR PHE SER ALA SEQRES 4 A 144 SER TRP CYS PRO PRO CYS ARG GLY PHE THR PRO VAL LEU SEQRES 5 A 144 ALA GLU PHE TYR GLU LYS HIS HIS VAL ALA LYS ASN PHE SEQRES 6 A 144 GLU VAL VAL LEU ILE SER TRP ASP GLU ASN GLU SER ASP SEQRES 7 A 144 PHE HIS ASP TYR TYR GLY LYS MET PRO TRP LEU ALA LEU SEQRES 8 A 144 PRO PHE ASP GLN ARG SER THR VAL SER GLU LEU GLY LYS SEQRES 9 A 144 THR PHE GLY VAL GLU SER ILE PRO THR LEU ILE THR ILE SEQRES 10 A 144 ASN ALA ASP THR GLY ALA ILE ILE GLY THR GLN ALA ARG SEQRES 11 A 144 THR ARG VAL ILE GLU ASP PRO ASP GLY ALA ASN PHE PRO SEQRES 12 A 144 TRP HET FFN A 267 27 ATOM 1 N ALA A -1 0.669 -25.138 6.484 1.00 74.12 N ATOM 2 CA ALA A -1 -0.734 -25.647 6.694 1.00 74.44 C ATOM 3 C ALA A -1 -0.884 -26.212 8.124 1.00 59.11 C ATOM 4 O ALA A -1 -0.317 -25.637 9.057 1.00 50.23 O ATOM 5 CB ALA A -1 -1.096 -26.676 5.618 1.00 73.40 C ATOM 6 HN3 ALA A -1 1.343 -25.919 6.616 1.00 0.00 H ATOM 7 HN2 ALA A -1 0.870 -24.385 7.172 1.00 0.00 H ATOM 8 HN1 ALA A -1 0.759 -24.760 5.519 1.00 0.00 H ATOM 9 N MET A 0 -1.628 -27.309 8.307 1.00 54.35 N ATOM 10 CA MET A 0 -1.710 -27.994 9.610 1.00 52.12 C ATOM 11 C MET A 0 -0.361 -28.445 10.178 1.00 49.11 C ATOM 12 O MET A 0 -0.233 -28.613 11.396 1.00 51.75 O ATOM 13 CB MET A 0 -2.662 -29.201 9.541 1.00 57.83 C ATOM 14 CG MET A 0 -4.138 -28.838 9.578 1.00 63.37 C ATOM 15 SD MET A 0 -4.657 -28.196 11.187 1.00 74.56 S ATOM 16 CE MET A 0 -4.725 -26.427 10.874 1.00 77.08 C ATOM 17 H MET A 0 -2.166 -27.691 7.503 1.00 0.00 H ATOM 18 N GLY A 1 0.628 -28.652 9.309 1.00 36.36 N ATOM 19 CA GLY A 1 1.978 -28.985 9.744 1.00 35.95 C ATOM 20 C GLY A 1 2.707 -27.900 10.509 1.00 32.42 C ATOM 21 O GLY A 1 3.455 -28.202 11.435 1.00 39.03 O ATOM 22 H GLY A 1 0.430 -28.574 8.291 1.00 0.00 H ATOM 23 N SER A 2 2.467 -26.640 10.143 1.00 33.09 N ATOM 24 CA SER A 2 3.138 -25.503 10.772 1.00 25.96 C ATOM 25 C SER A 2 2.968 -25.541 12.278 1.00 26.48 C ATOM 26 O SER A 2 1.883 -25.808 12.788 1.00 25.98 O ATOM 27 CB SER A 2 2.581 -24.181 10.235 1.00 26.97 C ATOM 28 OG SER A 2 3.052 -23.078 10.992 1.00 28.07 O ATOM 29 HG SER A 2 4.040 -23.046 10.946 1.00 0.00 H ATOM 30 H SER A 2 1.779 -26.460 9.384 1.00 0.00 H ATOM 31 N GLY A 3 4.038 -25.231 12.991 1.00 25.99 N ATOM 32 CA GLY A 3 3.982 -25.102 14.439 1.00 26.28 C ATOM 33 C GLY A 3 3.176 -23.893 14.869 1.00 23.10 C ATOM 34 O GLY A 3 2.729 -23.846 16.001 1.00 27.91 O ATOM 35 H GLY A 3 4.943 -25.075 12.504 1.00 0.00 H ATOM 36 N LEU A 4 3.008 -22.921 13.972 1.00 25.76 N ATOM 37 CA LEU A 4 2.124 -21.774 14.202 1.00 26.17 C ATOM 38 C LEU A 4 0.637 -22.117 14.138 1.00 27.58 C ATOM 39 O LEU A 4 -0.171 -21.408 14.737 1.00 25.52 O ATOM 40 CB LEU A 4 2.410 -20.640 13.205 1.00 30.10 C ATOM 41 CG LEU A 4 3.771 -19.957 13.262 1.00 31.77 C ATOM 42 CD1 LEU A 4 3.912 -19.018 12.074 1.00 31.70 C ATOM 43 CD2 LEU A 4 3.935 -19.197 14.567 1.00 35.77 C ATOM 44 H LEU A 4 3.525 -22.979 13.072 1.00 0.00 H ATOM 45 N ALA A 5 0.268 -23.182 13.418 1.00 26.06 N ATOM 46 CA ALA A 5 -1.143 -23.577 13.270 1.00 26.87 C ATOM 47 C ALA A 5 -1.890 -23.753 14.608 1.00 29.11 C ATOM 48 O ALA A 5 -3.059 -23.347 14.713 1.00 35.47 O ATOM 49 CB ALA A 5 -1.261 -24.845 12.425 1.00 31.95 C ATOM 50 H ALA A 5 1.001 -23.750 12.947 1.00 0.00 H ATOM 51 N LYS A 6 -1.218 -24.288 15.636 1.00 26.69 N ATOM 52 CA LYS A 6 -1.850 -24.466 16.963 1.00 30.48 C ATOM 53 C LYS A 6 -2.319 -23.150 17.579 1.00 31.67 C ATOM 54 O LYS A 6 -3.239 -23.144 18.388 1.00 35.17 O ATOM 55 CB LYS A 6 -0.932 -25.200 17.959 1.00 32.31 C ATOM 56 CG LYS A 6 0.355 -24.476 18.344 1.00 31.55 C ATOM 57 CD LYS A 6 1.102 -25.202 19.455 1.00 36.59 C ATOM 58 CE LYS A 6 2.603 -25.272 19.208 1.00 38.93 C ATOM 59 NZ LYS A 6 3.003 -26.191 18.091 1.00 32.31 N ATOM 60 HZ1 LYS A 6 2.684 -27.157 18.308 1.00 0.00 H ATOM 61 HZ2 LYS A 6 2.563 -25.870 17.205 1.00 0.00 H ATOM 62 HZ3 LYS A 6 4.038 -26.181 17.989 1.00 0.00 H ATOM 63 H LYS A 6 -0.231 -24.585 15.499 1.00 0.00 H ATOM 64 N TYR A 7 -1.679 -22.049 17.190 1.00 31.19 N ATOM 65 CA TYR A 7 -2.032 -20.716 17.674 1.00 28.01 C ATOM 66 C TYR A 7 -3.035 -19.971 16.799 1.00 31.86 C ATOM 67 O TYR A 7 -3.719 -19.080 17.288 1.00 31.14 O ATOM 68 CB TYR A 7 -0.775 -19.871 17.776 1.00 28.14 C ATOM 69 CG TYR A 7 0.293 -20.471 18.647 1.00 27.25 C ATOM 70 CD1 TYR A 7 0.040 -20.785 19.979 1.00 26.33 C ATOM 71 CD2 TYR A 7 1.578 -20.698 18.144 1.00 27.53 C ATOM 72 CE1 TYR A 7 1.032 -21.330 20.786 1.00 28.82 C ATOM 73 CE2 TYR A 7 2.573 -21.223 18.937 1.00 24.53 C ATOM 74 CZ TYR A 7 2.306 -21.543 20.253 1.00 27.25 C ATOM 75 OH TYR A 7 3.302 -22.072 21.031 1.00 24.79 O ATOM 76 HH TYR A 7 3.616 -22.921 20.631 1.00 0.00 H ATOM 77 H TYR A 7 -0.895 -22.142 16.513 1.00 0.00 H ATOM 78 N LEU A 8 -3.122 -20.319 15.517 1.00 35.36 N ATOM 79 CA LEU A 8 -3.964 -19.592 14.563 1.00 36.82 C ATOM 80 C LEU A 8 -4.978 -20.522 13.879 1.00 43.63 C ATOM 81 O LEU A 8 -4.994 -20.609 12.640 1.00 38.93 O ATOM 82 CB LEU A 8 -3.067 -18.892 13.533 1.00 33.72 C ATOM 83 CG LEU A 8 -1.958 -18.000 14.114 1.00 32.37 C ATOM 84 CD1 LEU A 8 -0.977 -17.588 13.034 1.00 29.72 C ATOM 85 CD2 LEU A 8 -2.521 -16.764 14.809 1.00 33.95 C ATOM 86 H LEU A 8 -2.573 -21.136 15.181 1.00 0.00 H ATOM 87 N PRO A 9 -5.830 -21.201 14.684 1.00 50.80 N ATOM 88 CA PRO A 9 -6.849 -22.062 14.102 1.00 52.13 C ATOM 89 C PRO A 9 -7.893 -21.195 13.429 1.00 47.91 C ATOM 90 O PRO A 9 -8.285 -20.158 13.971 1.00 42.78 O ATOM 91 CB PRO A 9 -7.438 -22.777 15.315 1.00 53.15 C ATOM 92 CG PRO A 9 -7.304 -21.788 16.412 1.00 52.99 C ATOM 93 CD PRO A 9 -6.001 -21.089 16.147 1.00 51.22 C ATOM 94 N GLY A 10 -8.303 -21.593 12.234 1.00 47.84 N ATOM 95 CA GLY A 10 -9.154 -20.747 11.427 1.00 49.08 C ATOM 96 C GLY A 10 -8.391 -19.750 10.568 1.00 48.32 C ATOM 97 O GLY A 10 -9.020 -19.009 9.808 1.00 50.83 O ATOM 98 H GLY A 10 -8.010 -22.523 11.873 1.00 0.00 H ATOM 99 N ALA A 11 -7.054 -19.723 10.664 1.00 43.61 N ATOM 100 CA ALA A 11 -6.240 -18.882 9.790 1.00 39.65 C ATOM 101 C ALA A 11 -5.566 -19.767 8.763 1.00 48.55 C ATOM 102 O ALA A 11 -5.096 -20.860 9.092 1.00 50.64 O ATOM 103 CB ALA A 11 -5.198 -18.134 10.600 1.00 37.85 C ATOM 104 H ALA A 11 -6.585 -20.315 11.378 1.00 0.00 H ATOM 105 N THR A 12 -5.530 -19.289 7.524 1.00 40.47 N ATOM 106 CA THR A 12 -4.872 -19.989 6.430 1.00 40.04 C ATOM 107 C THR A 12 -3.673 -19.173 5.947 1.00 38.58 C ATOM 108 O THR A 12 -2.542 -19.678 5.937 1.00 42.88 O ATOM 109 CB THR A 12 -5.858 -20.228 5.266 1.00 48.72 C ATOM 110 OG1 THR A 12 -7.005 -20.940 5.751 1.00 46.61 O ATOM 111 CG2 THR A 12 -5.204 -21.026 4.128 1.00 49.07 C ATOM 112 HG1 THR A 12 -7.637 -21.093 5.004 1.00 0.00 H ATOM 113 H THR A 12 -5.991 -18.378 7.327 1.00 0.00 H ATOM 114 N ASN A 13 -3.935 -17.924 5.548 1.00 30.73 N ATOM 115 CA ASN A 13 -2.918 -17.046 4.989 1.00 26.69 C ATOM 116 C ASN A 13 -2.671 -15.829 5.877 1.00 23.39 C ATOM 117 O ASN A 13 -3.516 -15.436 6.694 1.00 23.17 O ATOM 118 CB ASN A 13 -3.327 -16.538 3.601 1.00 31.29 C ATOM 119 CG ASN A 13 -3.362 -17.635 2.538 1.00 36.45 C ATOM 120 OD1 ASN A 13 -2.637 -18.627 2.601 1.00 36.05 O ATOM 121 ND2 ASN A 13 -4.194 -17.432 1.535 1.00 44.08 N ATOM 122 HD22 ASN A 13 -4.791 -16.580 1.518 1.00 0.00 H ATOM 123 HD21 ASN A 13 -4.254 -18.124 0.761 1.00 0.00 H ATOM 124 H ASN A 13 -4.907 -17.565 5.641 1.00 0.00 H ATOM 125 N LEU A 14 -1.501 -15.245 5.672 1.00 18.66 N ATOM 126 CA LEU A 14 -1.111 -13.961 6.255 1.00 17.72 C ATOM 127 C LEU A 14 -0.981 -12.938 5.151 1.00 17.75 C ATOM 128 O LEU A 14 -0.655 -13.279 4.017 1.00 20.53 O ATOM 129 CB LEU A 14 0.238 -14.126 6.961 1.00 17.02 C ATOM 130 CG LEU A 14 0.310 -15.133 8.096 1.00 19.14 C ATOM 131 CD1 LEU A 14 1.757 -15.218 8.591 1.00 19.15 C ATOM 132 CD2 LEU A 14 -0.627 -14.752 9.227 1.00 18.76 C ATOM 133 H LEU A 14 -0.816 -15.729 5.058 1.00 0.00 H ATOM 134 N LEU A 15 -1.251 -11.672 5.462 1.00 14.85 N ATOM 135 CA LEU A 15 -0.994 -10.609 4.532 1.00 14.94 C ATOM 136 C LEU A 15 0.501 -10.377 4.405 1.00 15.63 C ATOM 137 O LEU A 15 1.244 -10.540 5.388 1.00 16.71 O ATOM 138 CB LEU A 15 -1.644 -9.311 5.002 1.00 16.44 C ATOM 139 CG LEU A 15 -3.116 -9.368 5.393 1.00 17.75 C ATOM 140 CD1 LEU A 15 -3.548 -7.943 5.737 1.00 17.72 C ATOM 141 CD2 LEU A 15 -4.017 -9.968 4.322 1.00 20.46 C ATOM 142 H LEU A 15 -1.655 -11.449 6.394 1.00 0.00 H ATOM 143 N SER A 16 0.947 -10.027 3.206 1.00 15.79 N ATOM 144 CA SER A 16 2.305 -9.532 2.970 1.00 17.16 C ATOM 145 C SER A 16 2.223 -8.220 2.185 1.00 18.17 C ATOM 146 O SER A 16 1.121 -7.746 1.875 1.00 19.86 O ATOM 147 CB SER A 16 3.157 -10.569 2.223 1.00 21.55 C ATOM 148 OG SER A 16 2.971 -10.486 0.815 1.00 22.24 O ATOM 149 HG SER A 16 2.019 -10.650 0.599 1.00 0.00 H ATOM 150 H SER A 16 0.302 -10.108 2.395 1.00 0.00 H ATOM 151 N LYS A 17 3.376 -7.627 1.897 1.00 17.55 N ATOM 152 CA LYS A 17 3.450 -6.411 1.059 1.00 22.79 C ATOM 153 C LYS A 17 3.048 -6.669 -0.387 1.00 25.84 C ATOM 154 O LYS A 17 2.690 -5.728 -1.088 1.00 28.00 O ATOM 155 CB LYS A 17 4.853 -5.792 1.068 1.00 23.51 C ATOM 156 CG LYS A 17 5.329 -5.227 2.390 1.00 26.03 C ATOM 157 CD LYS A 17 4.373 -4.186 2.946 1.00 23.69 C ATOM 158 CE LYS A 17 3.472 -4.771 4.024 1.00 22.96 C ATOM 159 NZ LYS A 17 2.718 -3.669 4.672 1.00 21.53 N ATOM 160 HZ1 LYS A 17 3.387 -2.997 5.099 1.00 0.00 H ATOM 161 HZ2 LYS A 17 2.141 -3.179 3.959 1.00 0.00 H ATOM 162 HZ3 LYS A 17 2.100 -4.061 5.410 1.00 0.00 H ATOM 163 H LYS A 17 4.257 -8.032 2.274 1.00 0.00 H ATOM 164 N SER A 18 3.110 -7.921 -0.834 1.00 26.62 N ATOM 165 CA SER A 18 2.554 -8.297 -2.132 1.00 27.47 C ATOM 166 C SER A 18 1.368 -9.208 -1.872 1.00 29.22 C ATOM 167 O SER A 18 0.401 -8.779 -1.243 1.00 29.89 O ATOM 168 CB SER A 18 3.630 -8.917 -3.015 1.00 32.47 C ATOM 169 OG SER A 18 4.150 -10.073 -2.412 1.00 42.79 O ATOM 170 HG SER A 18 4.847 -10.464 -2.997 1.00 0.00 H ATOM 171 H SER A 18 3.565 -8.648 -0.246 1.00 0.00 H ATOM 172 N GLY A 19 1.418 -10.457 -2.323 1.00 32.71 N ATOM 173 CA GLY A 19 0.283 -11.350 -2.140 1.00 34.10 C ATOM 174 C GLY A 19 0.201 -11.910 -0.731 1.00 29.85 C ATOM 175 O GLY A 19 1.120 -11.778 0.067 1.00 32.65 O ATOM 176 H GLY A 19 2.272 -10.798 -2.809 1.00 0.00 H ATOM 177 N GLU A 20 -0.921 -12.547 -0.443 1.00 26.70 N ATOM 178 CA GLU A 20 -1.087 -13.308 0.781 1.00 24.88 C ATOM 179 C GLU A 20 -0.155 -14.514 0.718 1.00 25.86 C ATOM 180 O GLU A 20 0.092 -15.055 -0.360 1.00 26.24 O ATOM 181 CB GLU A 20 -2.536 -13.769 0.929 1.00 30.01 C ATOM 182 CG GLU A 20 -3.526 -12.619 1.058 1.00 32.60 C ATOM 183 CD GLU A 20 -4.940 -13.054 1.422 1.00 42.92 C ATOM 184 OE1 GLU A 20 -5.179 -14.261 1.668 1.00 43.65 O ATOM 185 OE2 GLU A 20 -5.822 -12.166 1.462 1.00 42.44 O ATOM 186 H GLU A 20 -1.712 -12.501 -1.117 1.00 0.00 H ATOM 187 N VAL A 21 0.356 -14.923 1.875 1.00 21.95 N ATOM 188 CA VAL A 21 1.271 -16.059 1.956 1.00 21.31 C ATOM 189 C VAL A 21 0.750 -17.074 2.943 1.00 20.84 C ATOM 190 O VAL A 21 0.064 -16.729 3.902 1.00 22.32 O ATOM 191 CB VAL A 21 2.696 -15.612 2.325 1.00 20.33 C ATOM 192 CG1 VAL A 21 3.233 -14.680 1.254 1.00 23.62 C ATOM 193 CG2 VAL A 21 2.731 -14.910 3.676 1.00 18.91 C ATOM 194 H VAL A 21 0.097 -14.420 2.748 1.00 0.00 H ATOM 195 N SER A 22 1.069 -18.342 2.710 1.00 20.50 N ATOM 196 CA SER A 22 0.624 -19.406 3.595 1.00 22.26 C ATOM 197 C SER A 22 1.478 -19.394 4.855 1.00 20.59 C ATOM 198 O SER A 22 2.609 -18.897 4.850 1.00 21.02 O ATOM 199 CB SER A 22 0.740 -20.759 2.902 1.00 23.70 C ATOM 200 OG SER A 22 2.084 -21.020 2.575 1.00 22.50 O ATOM 201 HG SER A 22 2.418 -20.313 1.968 1.00 0.00 H ATOM 202 H SER A 22 1.648 -18.578 1.879 1.00 0.00 H ATOM 203 N LEU A 23 0.942 -19.970 5.923 1.00 21.64 N ATOM 204 CA LEU A 23 1.712 -20.202 7.144 1.00 21.27 C ATOM 205 C LEU A 23 2.915 -21.115 6.844 1.00 21.61 C ATOM 206 O LEU A 23 3.989 -20.926 7.398 1.00 21.45 O ATOM 207 CB LEU A 23 0.851 -20.816 8.246 1.00 25.51 C ATOM 208 CG LEU A 23 -0.176 -19.952 8.972 1.00 27.51 C ATOM 209 CD1 LEU A 23 -0.886 -20.805 10.011 1.00 30.99 C ATOM 210 CD2 LEU A 23 0.498 -18.758 9.627 1.00 27.50 C ATOM 211 H LEU A 23 -0.055 -20.265 5.891 1.00 0.00 H ATOM 212 N GLY A 24 2.741 -22.075 5.930 1.00 23.10 N ATOM 213 CA GLY A 24 3.839 -22.946 5.512 1.00 20.17 C ATOM 214 C GLY A 24 5.013 -22.244 4.856 1.00 21.61 C ATOM 215 O GLY A 24 6.141 -22.746 4.889 1.00 21.17 O ATOM 216 H GLY A 24 1.801 -22.206 5.505 1.00 0.00 H ATOM 217 N SER A 25 4.780 -21.069 4.277 1.00 20.05 N ATOM 218 CA SER A 25 5.892 -20.271 3.741 1.00 20.34 C ATOM 219 C SER A 25 6.928 -19.844 4.787 1.00 18.29 C ATOM 220 O SER A 25 8.043 -19.477 4.415 1.00 20.53 O ATOM 221 CB SER A 25 5.376 -19.040 2.989 1.00 20.76 C ATOM 222 OG SER A 25 4.948 -18.040 3.890 1.00 24.21 O ATOM 223 HG SER A 25 4.218 -18.397 4.455 1.00 0.00 H ATOM 224 H SER A 25 3.806 -20.713 4.203 1.00 0.00 H ATOM 225 N LEU A 26 6.573 -19.890 6.076 1.00 17.75 N ATOM 226 CA LEU A 26 7.474 -19.504 7.153 1.00 17.72 C ATOM 227 C LEU A 26 8.320 -20.660 7.660 1.00 17.28 C ATOM 228 O LEU A 26 9.026 -20.514 8.640 1.00 16.74 O ATOM 229 CB LEU A 26 6.685 -18.890 8.318 1.00 18.08 C ATOM 230 CG LEU A 26 5.839 -17.684 7.878 1.00 22.19 C ATOM 231 CD1 LEU A 26 5.108 -17.071 9.064 1.00 25.27 C ATOM 232 CD2 LEU A 26 6.680 -16.645 7.172 1.00 26.50 C ATOM 233 H LEU A 26 5.615 -20.214 6.319 1.00 0.00 H ATOM 234 N VAL A 27 8.273 -21.791 6.961 1.00 16.40 N ATOM 235 CA VAL A 27 9.051 -22.955 7.341 1.00 18.10 C ATOM 236 C VAL A 27 10.513 -22.591 7.644 1.00 16.51 C ATOM 237 O VAL A 27 11.167 -21.839 6.896 1.00 17.12 O ATOM 238 CB VAL A 27 8.930 -24.078 6.282 1.00 17.49 C ATOM 239 CG1 VAL A 27 9.452 -23.638 4.928 1.00 19.10 C ATOM 240 CG2 VAL A 27 9.649 -25.340 6.741 1.00 17.15 C ATOM 241 H VAL A 27 7.663 -21.842 6.120 1.00 0.00 H ATOM 242 N GLY A 28 10.996 -23.063 8.790 1.00 16.95 N ATOM 243 CA GLY A 28 12.391 -22.898 9.182 1.00 16.40 C ATOM 244 C GLY A 28 12.757 -21.567 9.795 1.00 15.97 C ATOM 245 O GLY A 28 13.895 -21.388 10.263 1.00 18.05 O ATOM 246 H GLY A 28 10.353 -23.570 9.432 1.00 0.00 H ATOM 247 N LYS A 29 11.803 -20.637 9.847 1.00 15.33 N ATOM 248 CA LYS A 29 12.114 -19.297 10.331 1.00 15.64 C ATOM 249 C LYS A 29 11.851 -19.140 11.822 1.00 15.42 C ATOM 250 O LYS A 29 11.116 -19.912 12.416 1.00 16.94 O ATOM 251 CB LYS A 29 11.320 -18.264 9.541 1.00 16.38 C ATOM 252 CG LYS A 29 11.688 -18.238 8.066 1.00 18.18 C ATOM 253 CD LYS A 29 11.145 -17.011 7.351 1.00 16.93 C ATOM 254 CE LYS A 29 11.389 -17.060 5.846 1.00 19.59 C ATOM 255 NZ LYS A 29 12.678 -17.690 5.424 1.00 20.35 N ATOM 256 HZ1 LYS A 29 13.473 -17.159 5.834 1.00 0.00 H ATOM 257 HZ2 LYS A 29 12.708 -18.674 5.759 1.00 0.00 H ATOM 258 HZ3 LYS A 29 12.747 -17.674 4.386 1.00 0.00 H ATOM 259 H LYS A 29 10.836 -20.868 9.542 1.00 0.00 H ATOM 260 N THR A 30 12.500 -18.137 12.408 1.00 14.62 N ATOM 261 CA THR A 30 12.124 -17.588 13.695 1.00 13.62 C ATOM 262 C THR A 30 11.040 -16.555 13.366 1.00 15.59 C ATOM 263 O THR A 30 11.178 -15.813 12.413 1.00 15.31 O ATOM 264 CB THR A 30 13.310 -16.905 14.381 1.00 18.11 C ATOM 265 OG1 THR A 30 14.308 -17.889 14.686 1.00 18.58 O ATOM 266 CG2 THR A 30 12.876 -16.223 15.682 1.00 19.87 C ATOM 267 HG1 THR A 30 13.922 -18.572 15.290 1.00 0.00 H ATOM 268 H THR A 30 13.319 -17.726 11.917 1.00 0.00 H ATOM 269 N VAL A 31 9.960 -16.530 14.136 1.00 14.42 N ATOM 270 CA VAL A 31 8.855 -15.621 13.866 1.00 13.79 C ATOM 271 C VAL A 31 8.590 -14.787 15.098 1.00 14.35 C ATOM 272 O VAL A 31 8.394 -15.319 16.204 1.00 15.19 O ATOM 273 CB VAL A 31 7.584 -16.389 13.463 1.00 16.34 C ATOM 274 CG1 VAL A 31 6.369 -15.461 13.377 1.00 17.51 C ATOM 275 CG2 VAL A 31 7.819 -17.104 12.142 1.00 18.86 C ATOM 276 H VAL A 31 9.901 -17.174 14.951 1.00 0.00 H ATOM 277 N PHE A 32 8.555 -13.477 14.908 1.00 13.45 N ATOM 278 CA PHE A 32 8.174 -12.574 15.991 1.00 12.51 C ATOM 279 C PHE A 32 6.704 -12.210 15.797 1.00 13.09 C ATOM 280 O PHE A 32 6.353 -11.609 14.779 1.00 14.80 O ATOM 281 CB PHE A 32 9.018 -11.325 15.958 1.00 14.97 C ATOM 282 CG PHE A 32 10.485 -11.557 16.219 1.00 15.91 C ATOM 283 CD1 PHE A 32 10.954 -11.698 17.508 1.00 15.60 C ATOM 284 CD2 PHE A 32 11.406 -11.602 15.166 1.00 19.42 C ATOM 285 CE1 PHE A 32 12.302 -11.887 17.765 1.00 16.57 C ATOM 286 CE2 PHE A 32 12.759 -11.796 15.421 1.00 20.93 C ATOM 287 CZ PHE A 32 13.206 -11.944 16.725 1.00 18.26 C ATOM 288 H PHE A 32 8.802 -13.086 13.976 1.00 0.00 H ATOM 289 N LEU A 33 5.849 -12.563 16.756 1.00 11.56 N ATOM 290 CA LEU A 33 4.470 -12.088 16.765 1.00 12.51 C ATOM 291 C LEU A 33 4.468 -10.725 17.446 1.00 13.05 C ATOM 292 O LEU A 33 4.863 -10.595 18.617 1.00 11.71 O ATOM 293 CB LEU A 33 3.553 -13.064 17.521 1.00 14.09 C ATOM 294 CG LEU A 33 3.579 -14.501 17.000 1.00 17.98 C ATOM 295 CD1 LEU A 33 2.621 -15.326 17.837 1.00 22.81 C ATOM 296 CD2 LEU A 33 3.222 -14.537 15.524 1.00 17.01 C ATOM 297 H LEU A 33 6.173 -13.193 17.517 1.00 0.00 H ATOM 298 N TYR A 34 4.048 -9.716 16.694 1.00 12.20 N ATOM 299 CA TYR A 34 4.093 -8.330 17.153 1.00 10.19 C ATOM 300 C TYR A 34 2.675 -7.857 17.482 1.00 11.14 C ATOM 301 O TYR A 34 1.878 -7.569 16.577 1.00 11.18 O ATOM 302 CB TYR A 34 4.731 -7.449 16.101 1.00 11.00 C ATOM 303 CG TYR A 34 4.833 -5.973 16.439 1.00 11.20 C ATOM 304 CD1 TYR A 34 5.103 -5.534 17.734 1.00 11.65 C ATOM 305 CD2 TYR A 34 4.696 -5.019 15.439 1.00 12.39 C ATOM 306 CE1 TYR A 34 5.201 -4.177 18.033 1.00 13.09 C ATOM 307 CE2 TYR A 34 4.807 -3.656 15.723 1.00 12.58 C ATOM 308 CZ TYR A 34 5.066 -3.249 17.025 1.00 12.69 C ATOM 309 OH TYR A 34 5.135 -1.925 17.353 1.00 13.76 O ATOM 310 HH TYR A 34 5.857 -1.494 16.831 1.00 0.00 H ATOM 311 H TYR A 34 3.674 -9.919 15.745 1.00 0.00 H ATOM 312 N PHE A 35 2.408 -7.768 18.781 1.00 11.49 N ATOM 313 CA PHE A 35 1.118 -7.310 19.283 1.00 11.88 C ATOM 314 C PHE A 35 1.208 -5.801 19.398 1.00 13.54 C ATOM 315 O PHE A 35 2.071 -5.290 20.112 1.00 13.03 O ATOM 316 CB PHE A 35 0.813 -7.914 20.649 1.00 14.00 C ATOM 317 CG PHE A 35 0.590 -9.379 20.615 1.00 13.88 C ATOM 318 CD1 PHE A 35 1.656 -10.249 20.621 1.00 14.61 C ATOM 319 CD2 PHE A 35 -0.700 -9.889 20.566 1.00 15.55 C ATOM 320 CE1 PHE A 35 1.455 -11.618 20.571 1.00 16.54 C ATOM 321 CE2 PHE A 35 -0.906 -11.247 20.542 1.00 16.18 C ATOM 322 CZ PHE A 35 0.168 -12.111 20.537 1.00 16.31 C ATOM 323 H PHE A 35 3.146 -8.035 19.464 1.00 0.00 H ATOM 324 N SER A 36 0.332 -5.104 18.684 1.00 12.38 N ATOM 325 CA SER A 36 0.453 -3.663 18.489 1.00 13.80 C ATOM 326 C SER A 36 -0.879 -3.065 18.064 1.00 15.27 C ATOM 327 O SER A 36 -1.806 -3.793 17.702 1.00 17.28 O ATOM 328 CB SER A 36 1.508 -3.375 17.421 1.00 14.65 C ATOM 329 OG SER A 36 1.799 -1.989 17.338 1.00 18.19 O ATOM 330 HG SER A 36 2.484 -1.838 16.639 1.00 0.00 H ATOM 331 H SER A 36 -0.469 -5.603 18.248 1.00 0.00 H ATOM 332 N ALA A 37 -0.982 -1.745 18.157 1.00 14.32 N ATOM 333 CA ALA A 37 -2.171 -1.021 17.696 1.00 14.30 C ATOM 334 C ALA A 37 -1.759 0.345 17.202 1.00 13.82 C ATOM 335 O ALA A 37 -0.841 0.969 17.754 1.00 12.81 O ATOM 336 CB ALA A 37 -3.185 -0.883 18.825 1.00 14.16 C ATOM 337 H ALA A 37 -0.194 -1.207 18.570 1.00 0.00 H ATOM 338 N SER A 38 -2.478 0.833 16.197 1.00 12.92 N ATOM 339 CA SER A 38 -2.151 2.090 15.510 1.00 13.60 C ATOM 340 C SER A 38 -2.221 3.338 16.380 1.00 15.32 C ATOM 341 O SER A 38 -1.568 4.325 16.071 1.00 15.87 O ATOM 342 CB SER A 38 -3.083 2.307 14.318 1.00 15.54 C ATOM 343 OG SER A 38 -4.404 2.596 14.741 1.00 16.11 O ATOM 344 HG SER A 38 -4.750 1.840 15.278 1.00 0.00 H ATOM 345 H SER A 38 -3.313 0.299 15.881 1.00 0.00 H ATOM 346 N TRP A 39 -3.031 3.285 17.432 1.00 15.59 N ATOM 347 CA TRP A 39 -3.265 4.446 18.308 1.00 14.67 C ATOM 348 C TRP A 39 -2.490 4.372 19.600 1.00 14.87 C ATOM 349 O TRP A 39 -2.595 5.288 20.423 1.00 16.20 O ATOM 350 CB TRP A 39 -4.782 4.676 18.597 1.00 14.51 C ATOM 351 CG TRP A 39 -5.591 3.471 18.527 1.00 16.73 C ATOM 352 CD1 TRP A 39 -6.451 3.130 17.530 1.00 18.47 C ATOM 353 CD2 TRP A 39 -5.580 2.376 19.445 1.00 15.68 C ATOM 354 NE1 TRP A 39 -7.001 1.915 17.781 1.00 18.32 N ATOM 355 CE2 TRP A 39 -6.469 1.412 18.940 1.00 16.19 C ATOM 356 CE3 TRP A 39 -4.900 2.111 20.641 1.00 16.89 C ATOM 357 CZ2 TRP A 39 -6.715 0.225 19.587 1.00 17.52 C ATOM 358 CZ3 TRP A 39 -5.138 0.908 21.281 1.00 18.53 C ATOM 359 CH2 TRP A 39 -6.039 -0.018 20.754 1.00 19.42 C ATOM 360 HE1 TRP A 39 -7.712 1.441 17.189 1.00 0.00 H ATOM 361 H TRP A 39 -3.518 2.391 17.645 1.00 0.00 H ATOM 362 N CYS A 40 -1.688 3.316 19.780 1.00 13.65 N ATOM 363 CA CYS A 40 -0.955 3.105 21.015 1.00 15.04 C ATOM 364 C CYS A 40 0.365 3.883 20.938 1.00 13.33 C ATOM 365 O CYS A 40 1.176 3.594 20.067 1.00 13.82 O ATOM 366 CB CYS A 40 -0.701 1.611 21.212 1.00 16.56 C ATOM 367 SG CYS A 40 0.521 1.285 22.511 1.00 23.44 S ATOM 368 H CYS A 40 -1.587 2.624 19.010 1.00 0.00 H ATOM 369 N PRO A 41 0.575 4.909 21.793 1.00 13.40 N ATOM 370 CA PRO A 41 1.790 5.700 21.593 1.00 13.67 C ATOM 371 C PRO A 41 3.114 4.932 21.704 1.00 13.69 C ATOM 372 O PRO A 41 3.969 5.136 20.849 1.00 13.71 O ATOM 373 CB PRO A 41 1.677 6.830 22.622 1.00 15.09 C ATOM 374 CG PRO A 41 0.209 6.919 22.927 1.00 15.39 C ATOM 375 CD PRO A 41 -0.331 5.534 22.785 1.00 16.67 C ATOM 376 N PRO A 42 3.282 4.062 22.720 1.00 13.48 N ATOM 377 CA PRO A 42 4.506 3.245 22.745 1.00 14.27 C ATOM 378 C PRO A 42 4.669 2.370 21.506 1.00 14.44 C ATOM 379 O PRO A 42 5.801 2.173 21.053 1.00 13.53 O ATOM 380 CB PRO A 42 4.357 2.395 24.024 1.00 16.19 C ATOM 381 CG PRO A 42 3.391 3.135 24.868 1.00 21.19 C ATOM 382 CD PRO A 42 2.494 3.913 23.959 1.00 15.74 C ATOM 383 N CYS A 43 3.573 1.840 20.966 1.00 13.00 N ATOM 384 CA CYS A 43 3.639 1.112 19.694 1.00 14.65 C ATOM 385 C CYS A 43 4.093 1.996 18.552 1.00 13.58 C ATOM 386 O CYS A 43 4.946 1.618 17.745 1.00 14.16 O ATOM 387 CB CYS A 43 2.282 0.514 19.305 1.00 14.99 C ATOM 388 SG CYS A 43 1.726 -0.796 20.391 1.00 18.31 S ATOM 389 H CYS A 43 2.659 1.943 21.452 1.00 0.00 H ATOM 390 N ARG A 44 3.481 3.176 18.445 1.00 13.61 N ATOM 391 CA ARG A 44 3.847 4.113 17.385 1.00 13.70 C ATOM 392 C ARG A 44 5.333 4.463 17.409 1.00 12.99 C ATOM 393 O ARG A 44 5.947 4.632 16.359 1.00 14.51 O ATOM 394 CB ARG A 44 2.960 5.372 17.434 1.00 15.01 C ATOM 395 CG ARG A 44 1.495 5.085 17.098 1.00 16.57 C ATOM 396 CD ARG A 44 0.641 6.333 17.234 1.00 21.01 C ATOM 397 NE ARG A 44 0.970 7.293 16.195 1.00 23.79 N ATOM 398 CZ ARG A 44 0.622 7.207 14.909 1.00 30.36 C ATOM 399 NH1 ARG A 44 -0.111 6.189 14.440 1.00 30.48 N ATOM 400 NH2 ARG A 44 1.030 8.154 14.070 1.00 31.13 N ATOM 401 HE ARG A 44 1.528 8.124 16.479 1.00 0.00 H ATOM 402 HH12 ARG A 44 -0.365 6.152 13.432 1.00 0.00 H ATOM 403 HH11 ARG A 44 -0.426 5.435 15.084 1.00 0.00 H ATOM 404 HH22 ARG A 44 0.770 8.105 13.064 1.00 0.00 H ATOM 405 HH21 ARG A 44 1.610 8.944 14.419 1.00 0.00 H ATOM 406 H ARG A 44 2.735 3.432 19.123 1.00 0.00 H ATOM 407 N GLY A 45 5.901 4.573 18.600 1.00 14.27 N ATOM 408 CA GLY A 45 7.335 4.824 18.777 1.00 15.37 C ATOM 409 C GLY A 45 8.233 3.637 18.503 1.00 16.11 C ATOM 410 O GLY A 45 9.383 3.813 18.101 1.00 17.86 O ATOM 411 H GLY A 45 5.304 4.477 19.446 1.00 0.00 H ATOM 412 N PHE A 46 7.729 2.428 18.739 1.00 13.09 N ATOM 413 CA PHE A 46 8.523 1.221 18.588 1.00 11.95 C ATOM 414 C PHE A 46 8.504 0.670 17.171 1.00 11.67 C ATOM 415 O PHE A 46 9.500 0.158 16.682 1.00 12.24 O ATOM 416 CB PHE A 46 8.026 0.136 19.558 1.00 13.17 C ATOM 417 CG PHE A 46 8.816 -1.126 19.493 1.00 12.15 C ATOM 418 CD1 PHE A 46 10.179 -1.118 19.790 1.00 13.55 C ATOM 419 CD2 PHE A 46 8.230 -2.304 19.068 1.00 13.09 C ATOM 420 CE1 PHE A 46 10.923 -2.284 19.699 1.00 14.54 C ATOM 421 CE2 PHE A 46 8.977 -3.481 18.981 1.00 13.76 C ATOM 422 CZ PHE A 46 10.318 -3.464 19.295 1.00 14.62 C ATOM 423 H PHE A 46 6.737 2.345 19.041 1.00 0.00 H ATOM 424 N THR A 47 7.363 0.760 16.502 1.00 11.07 N ATOM 425 CA THR A 47 7.249 0.241 15.133 1.00 11.78 C ATOM 426 C THR A 47 8.376 0.657 14.179 1.00 12.04 C ATOM 427 O THR A 47 8.939 -0.188 13.483 1.00 11.54 O ATOM 428 CB THR A 47 5.849 0.545 14.558 1.00 12.78 C ATOM 429 OG1 THR A 47 4.891 -0.252 15.259 1.00 12.43 O ATOM 430 CG2 THR A 47 5.757 0.232 13.060 1.00 13.66 C ATOM 431 HG1 THR A 47 4.918 -0.027 16.223 1.00 0.00 H ATOM 432 H THR A 47 6.538 1.204 16.953 1.00 0.00 H ATOM 433 N PRO A 48 8.751 1.947 14.160 1.00 12.69 N ATOM 434 CA PRO A 48 9.839 2.299 13.234 1.00 13.68 C ATOM 435 C PRO A 48 11.199 1.745 13.648 1.00 13.10 C ATOM 436 O PRO A 48 12.060 1.548 12.784 1.00 15.39 O ATOM 437 CB PRO A 48 9.851 3.835 13.254 1.00 13.90 C ATOM 438 CG PRO A 48 9.086 4.225 14.453 1.00 14.37 C ATOM 439 CD PRO A 48 8.085 3.140 14.704 1.00 14.48 C ATOM 440 N VAL A 49 11.406 1.547 14.944 1.00 12.96 N ATOM 441 CA VAL A 49 12.619 0.916 15.478 1.00 13.08 C ATOM 442 C VAL A 49 12.668 -0.540 15.024 1.00 12.98 C ATOM 443 O VAL A 49 13.650 -0.990 14.428 1.00 13.32 O ATOM 444 CB VAL A 49 12.709 1.056 17.022 1.00 13.61 C ATOM 445 CG1 VAL A 49 13.861 0.260 17.606 1.00 15.75 C ATOM 446 CG2 VAL A 49 12.829 2.522 17.382 1.00 14.16 C ATOM 447 H VAL A 49 10.673 1.854 15.614 1.00 0.00 H ATOM 448 N LEU A 50 11.566 -1.254 15.239 1.00 11.33 N ATOM 449 CA LEU A 50 11.476 -2.632 14.766 1.00 12.71 C ATOM 450 C LEU A 50 11.640 -2.742 13.236 1.00 11.90 C ATOM 451 O LEU A 50 12.251 -3.708 12.751 1.00 13.42 O ATOM 452 CB LEU A 50 10.183 -3.277 15.242 1.00 13.38 C ATOM 453 CG LEU A 50 10.068 -4.785 14.960 1.00 11.88 C ATOM 454 CD1 LEU A 50 11.138 -5.571 15.685 1.00 12.12 C ATOM 455 CD2 LEU A 50 8.659 -5.212 15.350 1.00 12.49 C ATOM 456 H LEU A 50 10.765 -0.828 15.747 1.00 0.00 H ATOM 457 N ALA A 51 11.075 -1.793 12.485 1.00 11.33 N ATOM 458 CA ALA A 51 11.206 -1.779 11.017 1.00 12.07 C ATOM 459 C ALA A 51 12.664 -1.682 10.616 1.00 13.95 C ATOM 460 O ALA A 51 13.105 -2.400 9.714 1.00 15.93 O ATOM 461 CB ALA A 51 10.392 -0.649 10.402 1.00 13.03 C ATOM 462 H ALA A 51 10.526 -1.042 12.950 1.00 0.00 H ATOM 463 N GLU A 52 13.423 -0.834 11.310 1.00 14.45 N ATOM 464 CA GLU A 52 14.870 -0.734 11.048 1.00 17.48 C ATOM 465 C GLU A 52 15.579 -2.041 11.360 1.00 15.63 C ATOM 466 O GLU A 52 16.426 -2.504 10.574 1.00 18.52 O ATOM 467 CB GLU A 52 15.518 0.420 11.823 1.00 22.65 C ATOM 468 CG GLU A 52 15.108 1.801 11.326 1.00 29.05 C ATOM 469 CD GLU A 52 15.639 2.128 9.935 1.00 34.44 C ATOM 470 OE1 GLU A 52 16.654 1.534 9.524 1.00 40.88 O ATOM 471 OE2 GLU A 52 15.031 2.975 9.252 1.00 47.35 O ATOM 472 H GLU A 52 12.990 -0.237 12.043 1.00 0.00 H ATOM 473 N PHE A 53 15.224 -2.640 12.494 1.00 14.32 N ATOM 474 CA PHE A 53 15.762 -3.926 12.901 1.00 15.12 C ATOM 475 C PHE A 53 15.465 -5.001 11.847 1.00 15.25 C ATOM 476 O PHE A 53 16.351 -5.771 11.458 1.00 16.63 O ATOM 477 CB PHE A 53 15.203 -4.300 14.283 1.00 15.09 C ATOM 478 CG PHE A 53 15.870 -5.469 14.919 1.00 16.63 C ATOM 479 CD1 PHE A 53 17.015 -5.305 15.688 1.00 16.91 C ATOM 480 CD2 PHE A 53 15.348 -6.737 14.763 1.00 17.09 C ATOM 481 CE1 PHE A 53 17.620 -6.377 16.305 1.00 16.60 C ATOM 482 CE2 PHE A 53 15.961 -7.820 15.357 1.00 18.74 C ATOM 483 CZ PHE A 53 17.098 -7.633 16.127 1.00 19.50 C ATOM 484 H PHE A 53 14.534 -2.169 13.113 1.00 0.00 H ATOM 485 N TYR A 54 14.214 -5.051 11.390 1.00 14.39 N ATOM 486 CA TYR A 54 13.805 -5.997 10.358 1.00 13.59 C ATOM 487 C TYR A 54 14.587 -5.804 9.071 1.00 15.12 C ATOM 488 O TYR A 54 15.157 -6.760 8.509 1.00 14.44 O ATOM 489 CB TYR A 54 12.317 -5.798 10.101 1.00 13.87 C ATOM 490 CG TYR A 54 11.698 -6.735 9.125 1.00 13.79 C ATOM 491 CD1 TYR A 54 11.196 -7.957 9.532 1.00 13.16 C ATOM 492 CD2 TYR A 54 11.580 -6.398 7.787 1.00 14.07 C ATOM 493 CE1 TYR A 54 10.583 -8.807 8.638 1.00 15.42 C ATOM 494 CE2 TYR A 54 10.970 -7.241 6.885 1.00 14.04 C ATOM 495 CZ TYR A 54 10.481 -8.447 7.305 1.00 14.87 C ATOM 496 OH TYR A 54 9.880 -9.268 6.402 1.00 16.29 O ATOM 497 HH TYR A 54 9.582 -10.095 6.857 1.00 0.00 H ATOM 498 H TYR A 54 13.508 -4.395 11.781 1.00 0.00 H ATOM 499 N GLU A 55 14.659 -4.563 8.607 1.00 15.11 N ATOM 500 CA GLU A 55 15.351 -4.298 7.343 1.00 17.50 C ATOM 501 C GLU A 55 16.813 -4.747 7.413 1.00 17.61 C ATOM 502 O GLU A 55 17.299 -5.391 6.488 1.00 19.68 O ATOM 503 CB GLU A 55 15.220 -2.830 6.939 1.00 21.63 C ATOM 504 CG GLU A 55 13.785 -2.364 6.688 1.00 29.57 C ATOM 505 CD GLU A 55 13.199 -2.797 5.351 1.00 43.96 C ATOM 506 OE1 GLU A 55 13.739 -3.722 4.704 1.00 49.71 O ATOM 507 OE2 GLU A 55 12.179 -2.187 4.948 1.00 48.74 O ATOM 508 H GLU A 55 14.226 -3.781 9.139 1.00 0.00 H ATOM 509 N LYS A 56 17.499 -4.463 8.510 1.00 19.00 N ATOM 510 CA LYS A 56 18.902 -4.840 8.626 1.00 19.66 C ATOM 511 C LYS A 56 19.130 -6.354 8.751 1.00 20.26 C ATOM 512 O LYS A 56 20.072 -6.868 8.157 1.00 23.11 O ATOM 513 CB LYS A 56 19.580 -4.089 9.781 1.00 26.43 C ATOM 514 CG LYS A 56 21.049 -4.451 10.036 1.00 40.39 C ATOM 515 CD LYS A 56 21.984 -4.394 8.817 1.00 57.91 C ATOM 516 CE LYS A 56 23.123 -5.423 8.909 1.00 67.17 C ATOM 517 NZ LYS A 56 22.740 -6.828 8.578 1.00 66.69 N ATOM 518 HZ1 LYS A 56 21.998 -7.147 9.233 1.00 0.00 H ATOM 519 HZ2 LYS A 56 22.383 -6.868 7.602 1.00 0.00 H ATOM 520 HZ3 LYS A 56 23.573 -7.444 8.669 1.00 0.00 H ATOM 521 H LYS A 56 17.032 -3.967 9.296 1.00 0.00 H ATOM 522 N HIS A 57 18.261 -7.072 9.466 1.00 15.66 N ATOM 523 CA HIS A 57 18.582 -8.429 9.931 1.00 15.33 C ATOM 524 C HIS A 57 17.670 -9.550 9.434 1.00 16.81 C ATOM 525 O HIS A 57 18.030 -10.712 9.635 1.00 15.60 O ATOM 526 CB HIS A 57 18.559 -8.499 11.462 1.00 16.92 C ATOM 527 CG HIS A 57 19.451 -7.510 12.140 1.00 18.71 C ATOM 528 ND1 HIS A 57 20.813 -7.482 11.941 1.00 21.07 N ATOM 529 CD2 HIS A 57 19.181 -6.539 13.051 1.00 19.46 C ATOM 530 CE1 HIS A 57 21.343 -6.516 12.675 1.00 22.56 C ATOM 531 NE2 HIS A 57 20.376 -5.934 13.367 1.00 20.20 N ATOM 532 H HIS A 57 17.335 -6.661 9.700 1.00 0.00 H ATOM 533 N HIS A 58 16.498 -9.263 8.848 1.00 15.16 N ATOM 534 CA HIS A 58 15.513 -10.351 8.669 1.00 15.27 C ATOM 535 C HIS A 58 16.009 -11.464 7.738 1.00 14.40 C ATOM 536 O HIS A 58 15.674 -12.618 7.939 1.00 16.07 O ATOM 537 CB HIS A 58 14.118 -9.842 8.286 1.00 15.71 C ATOM 538 CG HIS A 58 13.925 -9.575 6.832 1.00 15.63 C ATOM 539 ND1 HIS A 58 14.392 -8.440 6.214 1.00 18.88 N ATOM 540 CD2 HIS A 58 13.244 -10.266 5.892 1.00 19.43 C ATOM 541 CE1 HIS A 58 14.047 -8.466 4.936 1.00 21.05 C ATOM 542 NE2 HIS A 58 13.349 -9.565 4.716 1.00 20.46 N ATOM 543 H HIS A 58 16.287 -8.297 8.527 1.00 0.00 H ATOM 544 N VAL A 59 16.837 -11.124 6.757 1.00 14.26 N ATOM 545 CA VAL A 59 17.371 -12.151 5.847 1.00 15.98 C ATOM 546 C VAL A 59 18.572 -12.847 6.509 1.00 15.96 C ATOM 547 O VAL A 59 18.603 -14.082 6.603 1.00 17.48 O ATOM 548 CB VAL A 59 17.738 -11.550 4.474 1.00 20.89 C ATOM 549 CG1 VAL A 59 18.372 -12.607 3.562 1.00 20.12 C ATOM 550 CG2 VAL A 59 16.497 -10.977 3.817 1.00 17.82 C ATOM 551 H VAL A 59 17.109 -10.128 6.631 1.00 0.00 H ATOM 552 N ALA A 60 19.528 -12.074 6.999 1.00 18.98 N ATOM 553 CA ALA A 60 20.739 -12.641 7.616 1.00 20.23 C ATOM 554 C ALA A 60 20.441 -13.611 8.761 1.00 20.08 C ATOM 555 O ALA A 60 21.103 -14.653 8.907 1.00 21.25 O ATOM 556 CB ALA A 60 21.655 -11.517 8.105 1.00 21.13 C ATOM 557 H ALA A 60 19.421 -11.041 6.947 1.00 0.00 H ATOM 558 N LYS A 61 19.439 -13.275 9.563 1.00 19.47 N ATOM 559 CA LYS A 61 19.097 -14.054 10.736 1.00 19.45 C ATOM 560 C LYS A 61 17.729 -14.728 10.602 1.00 17.70 C ATOM 561 O LYS A 61 17.131 -15.124 11.600 1.00 19.23 O ATOM 562 CB LYS A 61 19.215 -13.130 11.934 1.00 20.55 C ATOM 563 CG LYS A 61 20.493 -12.320 11.779 1.00 23.37 C ATOM 564 CD LYS A 61 20.862 -11.518 12.995 1.00 26.65 C ATOM 565 CE LYS A 61 22.334 -11.140 12.979 1.00 28.81 C ATOM 566 NZ LYS A 61 23.166 -12.154 13.684 1.00 29.06 N ATOM 567 HZ1 LYS A 61 22.855 -12.228 14.674 1.00 0.00 H ATOM 568 HZ2 LYS A 61 23.057 -13.076 13.216 1.00 0.00 H ATOM 569 HZ3 LYS A 61 24.164 -11.864 13.653 1.00 0.00 H ATOM 570 H LYS A 61 18.881 -12.425 9.343 1.00 0.00 H ATOM 571 N ASN A 62 17.262 -14.841 9.353 1.00 15.41 N ATOM 572 CA ASN A 62 16.161 -15.699 8.947 1.00 16.43 C ATOM 573 C ASN A 62 14.948 -15.627 9.843 1.00 16.08 C ATOM 574 O ASN A 62 14.546 -16.612 10.469 1.00 16.21 O ATOM 575 CB ASN A 62 16.674 -17.144 8.810 1.00 18.35 C ATOM 576 CG ASN A 62 15.747 -18.012 8.007 1.00 18.38 C ATOM 577 OD1 ASN A 62 15.287 -17.615 6.944 1.00 22.68 O ATOM 578 ND2 ASN A 62 15.425 -19.191 8.535 1.00 18.71 N ATOM 579 HD22 ASN A 62 15.841 -19.486 9.441 1.00 0.00 H ATOM 580 HD21 ASN A 62 14.757 -19.817 8.041 1.00 0.00 H ATOM 581 H ASN A 62 17.723 -14.271 8.615 1.00 0.00 H ATOM 582 N PHE A 63 14.405 -14.424 9.947 1.00 14.29 N ATOM 583 CA PHE A 63 13.187 -14.232 10.693 1.00 13.83 C ATOM 584 C PHE A 63 12.125 -13.463 9.926 1.00 13.10 C ATOM 585 O PHE A 63 12.394 -12.803 8.922 1.00 12.35 O ATOM 586 CB PHE A 63 13.446 -13.617 12.061 1.00 12.40 C ATOM 587 CG PHE A 63 13.936 -12.196 12.033 1.00 14.05 C ATOM 588 CD1 PHE A 63 13.044 -11.129 11.940 1.00 14.48 C ATOM 589 CD2 PHE A 63 15.284 -11.917 12.203 1.00 14.21 C ATOM 590 CE1 PHE A 63 13.507 -9.827 11.949 1.00 12.54 C ATOM 591 CE2 PHE A 63 15.758 -10.604 12.227 1.00 14.92 C ATOM 592 CZ PHE A 63 14.871 -9.556 12.116 1.00 14.51 C ATOM 593 H PHE A 63 14.861 -13.611 9.486 1.00 0.00 H ATOM 594 N GLU A 64 10.905 -13.576 10.442 1.00 13.22 N ATOM 595 CA GLU A 64 9.758 -12.834 9.950 1.00 12.46 C ATOM 596 C GLU A 64 9.053 -12.211 11.140 1.00 12.56 C ATOM 597 O GLU A 64 9.184 -12.683 12.277 1.00 13.66 O ATOM 598 CB GLU A 64 8.807 -13.775 9.222 1.00 16.93 C ATOM 599 CG GLU A 64 7.745 -13.107 8.385 1.00 19.14 C ATOM 600 CD GLU A 64 8.304 -12.071 7.439 1.00 21.88 C ATOM 601 OE1 GLU A 64 8.372 -10.913 7.872 1.00 17.46 O ATOM 602 OE2 GLU A 64 8.692 -12.417 6.294 1.00 22.97 O ATOM 603 H GLU A 64 10.765 -14.229 11.239 1.00 0.00 H ATOM 604 N VAL A 65 8.345 -11.129 10.875 1.00 12.57 N ATOM 605 CA VAL A 65 7.512 -10.473 11.876 1.00 11.12 C ATOM 606 C VAL A 65 6.071 -10.581 11.386 1.00 10.95 C ATOM 607 O VAL A 65 5.779 -10.425 10.194 1.00 11.61 O ATOM 608 CB VAL A 65 7.937 -9.012 12.070 1.00 12.07 C ATOM 609 CG1 VAL A 65 6.960 -8.271 12.974 1.00 11.86 C ATOM 610 CG2 VAL A 65 9.354 -8.945 12.634 1.00 14.07 C ATOM 611 H VAL A 65 8.383 -10.729 9.916 1.00 0.00 H ATOM 612 N VAL A 66 5.161 -10.856 12.310 1.00 11.09 N ATOM 613 CA VAL A 66 3.754 -10.937 11.984 1.00 12.95 C ATOM 614 C VAL A 66 2.983 -9.994 12.913 1.00 13.41 C ATOM 615 O VAL A 66 2.970 -10.205 14.123 1.00 12.56 O ATOM 616 CB VAL A 66 3.203 -12.363 12.140 1.00 12.66 C ATOM 617 CG1 VAL A 66 1.719 -12.376 11.787 1.00 12.86 C ATOM 618 CG2 VAL A 66 3.976 -13.358 11.255 1.00 14.27 C ATOM 619 H VAL A 66 5.466 -11.017 13.291 1.00 0.00 H ATOM 620 N LEU A 67 2.369 -8.961 12.337 1.00 11.31 N ATOM 621 CA LEU A 67 1.512 -8.065 13.084 1.00 11.39 C ATOM 622 C LEU A 67 0.273 -8.799 13.576 1.00 11.95 C ATOM 623 O LEU A 67 -0.458 -9.412 12.778 1.00 12.46 O ATOM 624 CB LEU A 67 1.104 -6.876 12.219 1.00 10.83 C ATOM 625 CG LEU A 67 0.121 -5.860 12.808 1.00 12.02 C ATOM 626 CD1 LEU A 67 0.767 -5.145 13.996 1.00 13.92 C ATOM 627 CD2 LEU A 67 -0.307 -4.895 11.734 1.00 11.35 C ATOM 628 H LEU A 67 2.510 -8.794 11.320 1.00 0.00 H ATOM 629 N ILE A 68 0.029 -8.672 14.877 1.00 12.37 N ATOM 630 CA ILE A 68 -1.194 -9.119 15.542 1.00 12.91 C ATOM 631 C ILE A 68 -1.822 -7.844 16.107 1.00 13.79 C ATOM 632 O ILE A 68 -1.388 -7.353 17.151 1.00 14.74 O ATOM 633 CB ILE A 68 -0.873 -10.099 16.695 1.00 14.03 C ATOM 634 CG1 ILE A 68 0.009 -11.263 16.230 1.00 15.49 C ATOM 635 CG2 ILE A 68 -2.156 -10.632 17.345 1.00 15.93 C ATOM 636 CD1 ILE A 68 -0.563 -12.100 15.141 1.00 15.59 C ATOM 637 H ILE A 68 0.761 -8.222 15.464 1.00 0.00 H ATOM 638 N SER A 69 -2.822 -7.307 15.410 1.00 14.10 N ATOM 639 CA SER A 69 -3.265 -5.937 15.626 1.00 15.18 C ATOM 640 C SER A 69 -4.445 -5.885 16.570 1.00 14.71 C ATOM 641 O SER A 69 -5.417 -6.636 16.390 1.00 14.61 O ATOM 642 CB SER A 69 -3.679 -5.318 14.296 1.00 19.71 C ATOM 643 OG SER A 69 -4.217 -4.033 14.487 1.00 19.86 O ATOM 644 HG SER A 69 -3.537 -3.452 14.912 1.00 0.00 H ATOM 645 H SER A 69 -3.301 -7.884 14.689 1.00 0.00 H ATOM 646 N TRP A 70 -4.373 -4.958 17.527 1.00 13.96 N ATOM 647 CA TRP A 70 -5.489 -4.658 18.417 1.00 15.83 C ATOM 648 C TRP A 70 -6.451 -3.614 17.805 1.00 18.28 C ATOM 649 O TRP A 70 -7.452 -3.247 18.436 1.00 21.13 O ATOM 650 CB TRP A 70 -4.981 -4.193 19.792 1.00 20.71 C ATOM 651 CG TRP A 70 -5.577 -4.982 20.929 1.00 21.64 C ATOM 652 CD1 TRP A 70 -6.798 -4.785 21.511 1.00 23.73 C ATOM 653 CD2 TRP A 70 -4.988 -6.090 21.606 1.00 21.75 C ATOM 654 NE1 TRP A 70 -7.010 -5.708 22.495 1.00 24.88 N ATOM 655 CE2 TRP A 70 -5.914 -6.524 22.581 1.00 23.16 C ATOM 656 CE3 TRP A 70 -3.760 -6.750 21.495 1.00 22.02 C ATOM 657 CZ2 TRP A 70 -5.655 -7.595 23.446 1.00 27.27 C ATOM 658 CZ3 TRP A 70 -3.495 -7.819 22.357 1.00 26.64 C ATOM 659 CH2 TRP A 70 -4.445 -8.232 23.317 1.00 27.69 C ATOM 660 HE1 TRP A 70 -7.865 -5.779 23.083 1.00 0.00 H ATOM 661 H TRP A 70 -3.486 -4.428 17.643 1.00 0.00 H ATOM 662 N ASP A 71 -6.169 -3.128 16.593 1.00 15.47 N ATOM 663 CA ASP A 71 -7.077 -2.172 15.949 1.00 17.18 C ATOM 664 C ASP A 71 -8.459 -2.781 15.751 1.00 18.78 C ATOM 665 O ASP A 71 -8.591 -3.912 15.273 1.00 20.93 O ATOM 666 CB ASP A 71 -6.523 -1.705 14.604 1.00 17.46 C ATOM 667 CG ASP A 71 -5.458 -0.660 14.756 1.00 19.76 C ATOM 668 OD1 ASP A 71 -5.821 0.512 14.971 1.00 19.67 O ATOM 669 OD2 ASP A 71 -4.252 -0.992 14.649 1.00 22.05 O ATOM 670 H ASP A 71 -5.302 -3.429 16.104 1.00 0.00 H ATOM 671 N GLU A 72 -9.480 -2.013 16.117 1.00 22.43 N ATOM 672 CA GLU A 72 -10.881 -2.402 15.911 1.00 26.06 C ATOM 673 C GLU A 72 -11.444 -1.899 14.567 1.00 21.69 C ATOM 674 O GLU A 72 -12.447 -2.412 14.075 1.00 21.06 O ATOM 675 CB GLU A 72 -11.750 -1.933 17.098 1.00 33.08 C ATOM 676 CG GLU A 72 -12.186 -0.462 17.129 1.00 40.46 C ATOM 677 CD GLU A 72 -11.049 0.546 17.295 1.00 49.78 C ATOM 678 OE1 GLU A 72 -9.951 0.173 17.792 1.00 44.99 O ATOM 679 OE2 GLU A 72 -11.263 1.727 16.926 1.00 39.66 O ATOM 680 H GLU A 72 -9.278 -1.098 16.568 1.00 0.00 H ATOM 681 N ASN A 73 -10.755 -0.938 13.962 1.00 16.97 N ATOM 682 CA ASN A 73 -11.225 -0.272 12.774 1.00 17.25 C ATOM 683 C ASN A 73 -10.377 -0.693 11.595 1.00 19.49 C ATOM 684 O ASN A 73 -9.137 -0.616 11.651 1.00 16.80 O ATOM 685 CB ASN A 73 -11.153 1.234 13.000 1.00 18.38 C ATOM 686 CG ASN A 73 -11.586 2.013 11.799 1.00 20.56 C ATOM 687 OD1 ASN A 73 -10.827 2.169 10.856 1.00 20.68 O ATOM 688 ND2 ASN A 73 -12.824 2.500 11.815 1.00 24.73 N ATOM 689 HD22 ASN A 73 -13.435 2.341 12.642 1.00 0.00 H ATOM 690 HD21 ASN A 73 -13.181 3.039 11.001 1.00 0.00 H ATOM 691 H ASN A 73 -9.838 -0.654 14.363 1.00 0.00 H ATOM 692 N GLU A 74 -11.044 -1.163 10.544 1.00 17.83 N ATOM 693 CA GLU A 74 -10.347 -1.673 9.360 1.00 18.75 C ATOM 694 C GLU A 74 -9.487 -0.645 8.633 1.00 16.05 C ATOM 695 O GLU A 74 -8.419 -0.988 8.135 1.00 14.91 O ATOM 696 CB GLU A 74 -11.327 -2.329 8.380 1.00 22.03 C ATOM 697 CG GLU A 74 -10.616 -3.179 7.326 1.00 25.79 C ATOM 698 CD GLU A 74 -11.499 -4.213 6.627 1.00 26.94 C ATOM 699 OE1 GLU A 74 -12.722 -4.228 6.855 1.00 27.85 O ATOM 700 OE2 GLU A 74 -10.946 -5.004 5.827 1.00 29.20 O ATOM 701 H GLU A 74 -12.084 -1.169 10.563 1.00 0.00 H ATOM 702 N SER A 75 -9.937 0.612 8.565 1.00 15.75 N ATOM 703 CA SER A 75 -9.151 1.673 7.912 1.00 15.94 C ATOM 704 C SER A 75 -7.862 1.992 8.676 1.00 16.00 C ATOM 705 O SER A 75 -6.841 2.321 8.071 1.00 15.57 O ATOM 706 CB SER A 75 -9.984 2.949 7.720 1.00 16.34 C ATOM 707 OG SER A 75 -10.046 3.737 8.895 1.00 16.39 O ATOM 708 HG SER A 75 -10.459 3.209 9.624 1.00 0.00 H ATOM 709 H SER A 75 -10.861 0.846 8.982 1.00 0.00 H ATOM 710 N ASP A 76 -7.927 1.915 10.006 1.00 15.72 N ATOM 711 CA ASP A 76 -6.757 2.102 10.853 1.00 15.21 C ATOM 712 C ASP A 76 -5.805 0.925 10.689 1.00 14.30 C ATOM 713 O ASP A 76 -4.604 1.130 10.612 1.00 15.29 O ATOM 714 CB ASP A 76 -7.162 2.201 12.330 1.00 16.40 C ATOM 715 CG ASP A 76 -7.910 3.485 12.659 1.00 20.55 C ATOM 716 OD1 ASP A 76 -7.791 4.455 11.895 1.00 22.33 O ATOM 717 OD2 ASP A 76 -8.576 3.511 13.725 1.00 22.03 O ATOM 718 H ASP A 76 -8.844 1.715 10.453 1.00 0.00 H ATOM 719 N PHE A 77 -6.346 -0.293 10.657 1.00 13.07 N ATOM 720 CA PHE A 77 -5.529 -1.496 10.492 1.00 13.23 C ATOM 721 C PHE A 77 -4.700 -1.415 9.216 1.00 13.20 C ATOM 722 O PHE A 77 -3.478 -1.566 9.256 1.00 12.84 O ATOM 723 CB PHE A 77 -6.407 -2.751 10.492 1.00 15.46 C ATOM 724 CG PHE A 77 -5.664 -4.004 10.121 1.00 15.94 C ATOM 725 CD1 PHE A 77 -5.011 -4.747 11.095 1.00 19.06 C ATOM 726 CD2 PHE A 77 -5.628 -4.433 8.809 1.00 17.17 C ATOM 727 CE1 PHE A 77 -4.327 -5.907 10.746 1.00 18.04 C ATOM 728 CE2 PHE A 77 -4.953 -5.597 8.459 1.00 19.15 C ATOM 729 CZ PHE A 77 -4.302 -6.325 9.426 1.00 18.31 C ATOM 730 H PHE A 77 -7.377 -0.391 10.752 1.00 0.00 H ATOM 731 N HIS A 78 -5.350 -1.117 8.085 1.00 14.03 N ATOM 732 CA HIS A 78 -4.642 -1.107 6.805 1.00 15.17 C ATOM 733 C HIS A 78 -3.637 0.017 6.725 1.00 15.74 C ATOM 734 O HIS A 78 -2.552 -0.181 6.218 1.00 15.56 O ATOM 735 CB HIS A 78 -5.613 -1.052 5.627 1.00 14.12 C ATOM 736 CG HIS A 78 -6.413 -2.301 5.462 1.00 14.64 C ATOM 737 ND1 HIS A 78 -5.828 -3.544 5.302 1.00 18.28 N ATOM 738 CD2 HIS A 78 -7.746 -2.513 5.475 1.00 18.62 C ATOM 739 CE1 HIS A 78 -6.774 -4.461 5.222 1.00 18.20 C ATOM 740 NE2 HIS A 78 -7.947 -3.862 5.307 1.00 19.44 N ATOM 741 H HIS A 78 -6.365 -0.891 8.116 1.00 0.00 H ATOM 742 N ASP A 79 -3.988 1.202 7.236 1.00 14.37 N ATOM 743 CA ASP A 79 -3.063 2.326 7.224 1.00 16.01 C ATOM 744 C ASP A 79 -1.805 2.036 8.052 1.00 14.81 C ATOM 745 O ASP A 79 -0.678 2.310 7.619 1.00 16.68 O ATOM 746 CB ASP A 79 -3.743 3.602 7.750 1.00 18.66 C ATOM 747 CG ASP A 79 -2.822 4.812 7.717 1.00 26.58 C ATOM 748 OD1 ASP A 79 -2.507 5.293 6.613 1.00 35.68 O ATOM 749 OD2 ASP A 79 -2.408 5.264 8.795 1.00 38.30 O ATOM 750 H ASP A 79 -4.935 1.322 7.648 1.00 0.00 H ATOM 751 N TYR A 80 -2.000 1.434 9.215 1.00 13.52 N ATOM 752 CA TYR A 80 -0.876 1.191 10.149 1.00 14.07 C ATOM 753 C TYR A 80 0.002 0.044 9.623 1.00 14.67 C ATOM 754 O TYR A 80 1.250 0.164 9.580 1.00 13.86 O ATOM 755 CB TYR A 80 -1.419 0.924 11.553 1.00 15.31 C ATOM 756 CG TYR A 80 -0.395 0.679 12.654 1.00 15.81 C ATOM 757 CD1 TYR A 80 0.658 1.549 12.873 1.00 20.85 C ATOM 758 CD2 TYR A 80 -0.548 -0.399 13.506 1.00 20.46 C ATOM 759 CE1 TYR A 80 1.579 1.314 13.897 1.00 18.77 C ATOM 760 CE2 TYR A 80 0.335 -0.635 14.541 1.00 23.07 C ATOM 761 CZ TYR A 80 1.401 0.221 14.724 1.00 18.60 C ATOM 762 OH TYR A 80 2.281 -0.066 15.732 1.00 19.80 O ATOM 763 HH TYR A 80 2.685 -0.955 15.572 1.00 0.00 H ATOM 764 H TYR A 80 -2.958 1.127 9.477 1.00 0.00 H ATOM 765 N TYR A 81 -0.622 -1.046 9.182 1.00 12.93 N ATOM 766 CA TYR A 81 0.146 -2.129 8.553 1.00 12.88 C ATOM 767 C TYR A 81 0.873 -1.639 7.284 1.00 15.65 C ATOM 768 O TYR A 81 1.972 -2.113 6.964 1.00 14.72 O ATOM 769 CB TYR A 81 -0.731 -3.346 8.299 1.00 13.52 C ATOM 770 CG TYR A 81 -0.035 -4.428 7.535 1.00 13.92 C ATOM 771 CD1 TYR A 81 1.181 -4.925 7.972 1.00 13.47 C ATOM 772 CD2 TYR A 81 -0.580 -4.942 6.361 1.00 15.10 C ATOM 773 CE1 TYR A 81 1.850 -5.901 7.253 1.00 14.43 C ATOM 774 CE2 TYR A 81 0.082 -5.924 5.646 1.00 15.63 C ATOM 775 CZ TYR A 81 1.289 -6.413 6.108 1.00 15.58 C ATOM 776 OH TYR A 81 1.962 -7.371 5.378 1.00 16.27 O ATOM 777 HH TYR A 81 2.802 -7.610 5.845 1.00 0.00 H ATOM 778 H TYR A 81 -1.654 -1.131 9.283 1.00 0.00 H ATOM 779 N GLY A 82 0.297 -0.647 6.607 1.00 16.71 N ATOM 780 CA GLY A 82 0.955 0.018 5.478 1.00 19.59 C ATOM 781 C GLY A 82 2.306 0.653 5.789 1.00 20.80 C ATOM 782 O GLY A 82 3.122 0.801 4.894 1.00 25.27 O ATOM 783 H GLY A 82 -0.653 -0.333 6.889 1.00 0.00 H ATOM 784 N LYS A 83 2.552 1.007 7.047 1.00 22.01 N ATOM 785 CA LYS A 83 3.833 1.540 7.499 1.00 24.58 C ATOM 786 C LYS A 83 4.879 0.453 7.757 1.00 21.94 C ATOM 787 O LYS A 83 6.022 0.790 8.081 1.00 25.01 O ATOM 788 CB LYS A 83 3.670 2.349 8.799 1.00 29.07 C ATOM 789 CG LYS A 83 2.633 3.465 8.754 1.00 35.02 C ATOM 790 CD LYS A 83 2.513 4.119 10.127 1.00 43.00 C ATOM 791 CE LYS A 83 1.429 5.189 10.183 1.00 50.33 C ATOM 792 NZ LYS A 83 1.911 6.506 9.686 1.00 58.56 N ATOM 793 HZ1 LYS A 83 2.710 6.825 10.271 1.00 0.00 H ATOM 794 HZ2 LYS A 83 2.220 6.410 8.698 1.00 0.00 H ATOM 795 HZ3 LYS A 83 1.139 7.201 9.744 1.00 0.00 H ATOM 796 H LYS A 83 1.790 0.898 7.747 1.00 0.00 H ATOM 797 N MET A 84 4.515 -0.829 7.617 1.00 15.84 N ATOM 798 CA MET A 84 5.344 -1.933 8.072 1.00 14.52 C ATOM 799 C MET A 84 5.807 -2.798 6.905 1.00 15.94 C ATOM 800 O MET A 84 5.047 -2.997 5.946 1.00 16.70 O ATOM 801 CB MET A 84 4.549 -2.806 9.044 1.00 13.70 C ATOM 802 CG MET A 84 4.101 -2.090 10.302 1.00 14.30 C ATOM 803 SD MET A 84 2.927 -3.107 11.201 1.00 14.34 S ATOM 804 CE MET A 84 2.432 -1.947 12.457 1.00 15.01 C ATOM 805 H MET A 84 3.603 -1.043 7.165 1.00 0.00 H ATOM 806 N PRO A 85 7.034 -3.350 6.990 1.00 15.07 N ATOM 807 CA PRO A 85 7.590 -4.147 5.881 1.00 13.71 C ATOM 808 C PRO A 85 7.254 -5.639 5.896 1.00 15.03 C ATOM 809 O PRO A 85 7.542 -6.342 4.936 1.00 15.21 O ATOM 810 CB PRO A 85 9.110 -3.991 6.084 1.00 15.30 C ATOM 811 CG PRO A 85 9.265 -3.779 7.557 1.00 15.86 C ATOM 812 CD PRO A 85 8.063 -3.000 7.992 1.00 16.16 C ATOM 813 N TRP A 86 6.667 -6.112 6.988 1.00 13.66 N ATOM 814 CA TRP A 86 6.568 -7.551 7.310 1.00 12.51 C ATOM 815 C TRP A 86 5.145 -8.047 7.007 1.00 13.30 C ATOM 816 O TRP A 86 4.503 -7.518 6.095 1.00 15.28 O ATOM 817 CB TRP A 86 7.039 -7.774 8.767 1.00 12.48 C ATOM 818 CG TRP A 86 6.407 -6.834 9.774 1.00 11.52 C ATOM 819 CD1 TRP A 86 5.076 -6.729 10.135 1.00 10.89 C ATOM 820 CD2 TRP A 86 7.096 -5.809 10.505 1.00 11.05 C ATOM 821 NE1 TRP A 86 4.924 -5.713 11.047 1.00 10.77 N ATOM 822 CE2 TRP A 86 6.146 -5.150 11.308 1.00 10.45 C ATOM 823 CE3 TRP A 86 8.441 -5.423 10.595 1.00 10.82 C ATOM 824 CZ2 TRP A 86 6.493 -4.082 12.156 1.00 12.04 C ATOM 825 CZ3 TRP A 86 8.784 -4.402 11.441 1.00 11.86 C ATOM 826 CH2 TRP A 86 7.822 -3.723 12.201 1.00 12.54 C ATOM 827 HE1 TRP A 86 4.022 -5.417 11.473 1.00 0.00 H ATOM 828 H TRP A 86 6.253 -5.431 7.656 1.00 0.00 H ATOM 829 N LEU A 87 4.681 -9.087 7.707 1.00 13.16 N ATOM 830 CA LEU A 87 3.419 -9.749 7.453 1.00 12.28 C ATOM 831 C LEU A 87 2.392 -9.358 8.479 1.00 12.03 C ATOM 832 O LEU A 87 2.726 -8.738 9.490 1.00 11.09 O ATOM 833 CB LEU A 87 3.611 -11.264 7.534 1.00 13.91 C ATOM 834 CG LEU A 87 4.749 -11.863 6.718 1.00 16.76 C ATOM 835 CD1 LEU A 87 4.742 -13.372 6.932 1.00 16.92 C ATOM 836 CD2 LEU A 87 4.608 -11.536 5.236 1.00 16.39 C ATOM 837 H LEU A 87 5.267 -9.445 8.488 1.00 0.00 H ATOM 838 N ALA A 88 1.144 -9.758 8.246 1.00 11.96 N ATOM 839 CA ALA A 88 0.069 -9.489 9.202 1.00 13.18 C ATOM 840 C ALA A 88 -0.975 -10.590 9.232 1.00 13.68 C ATOM 841 O ALA A 88 -1.348 -11.162 8.194 1.00 14.64 O ATOM 842 CB ALA A 88 -0.608 -8.169 8.892 1.00 14.77 C ATOM 843 H ALA A 88 0.929 -10.272 7.368 1.00 0.00 H ATOM 844 N LEU A 89 -1.456 -10.867 10.437 1.00 13.14 N ATOM 845 CA LEU A 89 -2.684 -11.628 10.600 1.00 15.91 C ATOM 846 C LEU A 89 -3.836 -10.785 10.017 1.00 17.15 C ATOM 847 O LEU A 89 -3.988 -9.618 10.383 1.00 16.94 O ATOM 848 CB LEU A 89 -2.931 -11.921 12.064 1.00 16.99 C ATOM 849 CG LEU A 89 -4.175 -12.771 12.361 1.00 16.94 C ATOM 850 CD1 LEU A 89 -3.924 -14.204 11.917 1.00 16.61 C ATOM 851 CD2 LEU A 89 -4.500 -12.686 13.845 1.00 21.52 C ATOM 852 H LEU A 89 -0.946 -10.534 11.280 1.00 0.00 H ATOM 853 N PRO A 90 -4.636 -11.359 9.095 1.00 17.07 N ATOM 854 CA PRO A 90 -5.627 -10.541 8.421 1.00 17.75 C ATOM 855 C PRO A 90 -6.658 -9.952 9.377 1.00 18.19 C ATOM 856 O PRO A 90 -6.962 -10.533 10.399 1.00 18.63 O ATOM 857 CB PRO A 90 -6.266 -11.516 7.423 1.00 18.25 C ATOM 858 CG PRO A 90 -5.194 -12.514 7.172 1.00 18.47 C ATOM 859 CD PRO A 90 -4.591 -12.717 8.518 1.00 16.82 C ATOM 860 N PHE A 91 -7.180 -8.787 9.018 1.00 18.93 N ATOM 861 CA PHE A 91 -8.217 -8.128 9.818 1.00 18.36 C ATOM 862 C PHE A 91 -9.444 -9.024 10.100 1.00 19.55 C ATOM 863 O PHE A 91 -10.010 -8.964 11.189 1.00 21.05 O ATOM 864 CB PHE A 91 -8.654 -6.834 9.127 1.00 19.80 C ATOM 865 CG PHE A 91 -9.577 -6.014 9.960 1.00 20.77 C ATOM 866 CD1 PHE A 91 -9.091 -5.327 11.057 1.00 20.16 C ATOM 867 CD2 PHE A 91 -10.941 -5.964 9.673 1.00 22.85 C ATOM 868 CE1 PHE A 91 -9.938 -4.577 11.850 1.00 23.99 C ATOM 869 CE2 PHE A 91 -11.795 -5.213 10.464 1.00 21.00 C ATOM 870 CZ PHE A 91 -11.290 -4.518 11.550 1.00 22.70 C ATOM 871 H PHE A 91 -6.845 -8.329 8.146 1.00 0.00 H ATOM 872 N ASP A 92 -9.809 -9.884 9.150 1.00 21.31 N ATOM 873 CA ASP A 92 -10.910 -10.844 9.350 1.00 25.97 C ATOM 874 C ASP A 92 -10.690 -11.884 10.476 1.00 28.14 C ATOM 875 O ASP A 92 -11.656 -12.487 10.934 1.00 26.54 O ATOM 876 CB ASP A 92 -11.317 -11.533 8.023 1.00 34.04 C ATOM 877 CG ASP A 92 -10.196 -12.346 7.397 1.00 44.86 C ATOM 878 OD1 ASP A 92 -9.839 -13.414 7.941 1.00 50.91 O ATOM 879 OD2 ASP A 92 -9.679 -11.917 6.345 1.00 55.51 O ATOM 880 H ASP A 92 -9.303 -9.878 8.242 1.00 0.00 H ATOM 881 N GLN A 93 -9.446 -12.074 10.936 1.00 21.99 N ATOM 882 CA GLN A 93 -9.156 -12.945 12.079 1.00 24.29 C ATOM 883 C GLN A 93 -9.050 -12.202 13.413 1.00 27.41 C ATOM 884 O GLN A 93 -8.661 -12.784 14.428 1.00 26.96 O ATOM 885 CB GLN A 93 -7.864 -13.729 11.834 1.00 28.21 C ATOM 886 CG GLN A 93 -7.856 -14.563 10.572 1.00 31.28 C ATOM 887 CD GLN A 93 -8.901 -15.647 10.616 1.00 33.76 C ATOM 888 OE1 GLN A 93 -8.850 -16.530 11.473 1.00 36.31 O ATOM 889 NE2 GLN A 93 -9.864 -15.583 9.704 1.00 41.37 N ATOM 890 HE22 GLN A 93 -9.864 -14.817 9.000 1.00 0.00 H ATOM 891 HE21 GLN A 93 -10.619 -16.299 9.693 1.00 0.00 H ATOM 892 H GLN A 93 -8.658 -11.586 10.465 1.00 0.00 H ATOM 893 N ARG A 94 -9.429 -10.932 13.447 1.00 23.72 N ATOM 894 CA ARG A 94 -9.180 -10.122 14.634 1.00 24.74 C ATOM 895 C ARG A 94 -9.824 -10.622 15.936 1.00 26.32 C ATOM 896 O ARG A 94 -9.338 -10.296 17.000 1.00 22.93 O ATOM 897 CB ARG A 94 -9.563 -8.665 14.400 1.00 22.49 C ATOM 898 CG ARG A 94 -11.057 -8.421 14.315 1.00 25.45 C ATOM 899 CD ARG A 94 -11.336 -7.095 13.645 1.00 28.43 C ATOM 900 NE ARG A 94 -12.760 -6.933 13.401 1.00 26.28 N ATOM 901 CZ ARG A 94 -13.457 -7.510 12.417 1.00 30.78 C ATOM 902 NH1 ARG A 94 -12.887 -8.329 11.532 1.00 28.01 N ATOM 903 NH2 ARG A 94 -14.756 -7.261 12.322 1.00 31.17 N ATOM 904 HE ARG A 94 -13.284 -6.312 14.051 1.00 0.00 H ATOM 905 HH12 ARG A 94 -13.460 -8.761 10.779 1.00 0.00 H ATOM 906 HH11 ARG A 94 -11.870 -8.536 11.595 1.00 0.00 H ATOM 907 HH22 ARG A 94 -15.316 -7.700 11.563 1.00 0.00 H ATOM 908 HH21 ARG A 94 -15.215 -6.626 13.006 1.00 0.00 H ATOM 909 H ARG A 94 -9.906 -10.512 12.624 1.00 0.00 H ATOM 910 N SER A 95 -10.894 -11.412 15.845 1.00 26.30 N ATOM 911 CA SER A 95 -11.493 -12.037 17.032 1.00 27.28 C ATOM 912 C SER A 95 -10.534 -12.959 17.806 1.00 29.05 C ATOM 913 O SER A 95 -10.730 -13.187 18.998 1.00 31.99 O ATOM 914 CB SER A 95 -12.761 -12.811 16.646 1.00 28.83 C ATOM 915 OG SER A 95 -12.458 -13.926 15.824 1.00 28.81 O ATOM 916 HG SER A 95 -12.016 -13.613 14.995 1.00 0.00 H ATOM 917 H SER A 95 -11.315 -11.590 14.911 1.00 0.00 H ATOM 918 N THR A 96 -9.508 -13.477 17.128 1.00 27.24 N ATOM 919 CA THR A 96 -8.497 -14.347 17.745 1.00 28.61 C ATOM 920 C THR A 96 -7.379 -13.593 18.484 1.00 24.06 C ATOM 921 O THR A 96 -6.585 -14.202 19.204 1.00 23.03 O ATOM 922 CB THR A 96 -7.848 -15.250 16.673 1.00 32.22 C ATOM 923 OG1 THR A 96 -7.104 -14.456 15.750 1.00 36.21 O ATOM 924 CG2 THR A 96 -8.904 -16.021 15.919 1.00 29.81 C ATOM 925 HG1 THR A 96 -7.711 -13.810 15.308 1.00 0.00 H ATOM 926 H THR A 96 -9.420 -13.255 16.116 1.00 0.00 H ATOM 927 N VAL A 97 -7.298 -12.275 18.302 1.00 22.13 N ATOM 928 CA VAL A 97 -6.225 -11.484 18.901 1.00 19.65 C ATOM 929 C VAL A 97 -6.214 -11.554 20.444 1.00 20.32 C ATOM 930 O VAL A 97 -5.152 -11.748 21.055 1.00 19.21 O ATOM 931 CB VAL A 97 -6.298 -10.018 18.425 1.00 19.99 C ATOM 932 CG1 VAL A 97 -5.364 -9.125 19.236 1.00 20.52 C ATOM 933 CG2 VAL A 97 -5.980 -9.937 16.934 1.00 20.39 C ATOM 934 H VAL A 97 -8.016 -11.798 17.720 1.00 0.00 H ATOM 935 N SER A 98 -7.368 -11.366 21.077 1.00 22.26 N ATOM 936 CA SER A 98 -7.444 -11.441 22.539 1.00 24.47 C ATOM 937 C SER A 98 -7.076 -12.849 23.027 1.00 20.53 C ATOM 938 O SER A 98 -6.348 -12.990 24.019 1.00 20.47 O ATOM 939 CB SER A 98 -8.829 -11.041 23.047 1.00 28.60 C ATOM 940 OG SER A 98 -9.811 -11.928 22.538 1.00 32.98 O ATOM 941 HG SER A 98 -9.805 -11.893 21.549 1.00 0.00 H ATOM 942 H SER A 98 -8.228 -11.163 20.528 1.00 0.00 H ATOM 943 N GLU A 99 -7.537 -13.872 22.296 1.00 22.28 N ATOM 944 CA GLU A 99 -7.213 -15.285 22.609 1.00 23.68 C ATOM 945 C GLU A 99 -5.723 -15.563 22.540 1.00 22.31 C ATOM 946 O GLU A 99 -5.167 -16.207 23.434 1.00 23.28 O ATOM 947 CB GLU A 99 -7.970 -16.260 21.692 1.00 36.82 C ATOM 948 CG GLU A 99 -9.494 -16.212 21.786 1.00 46.48 C ATOM 949 CD GLU A 99 -10.055 -16.887 23.032 1.00 57.81 C ATOM 950 OE1 GLU A 99 -9.784 -16.414 24.160 1.00 66.54 O ATOM 951 OE2 GLU A 99 -10.799 -17.882 22.881 1.00 72.70 O ATOM 952 H GLU A 99 -8.145 -13.668 21.478 1.00 0.00 H ATOM 953 N LEU A 100 -5.089 -15.060 21.485 1.00 21.59 N ATOM 954 CA LEU A 100 -3.652 -15.191 21.286 1.00 21.95 C ATOM 955 C LEU A 100 -2.848 -14.474 22.381 1.00 20.11 C ATOM 956 O LEU A 100 -1.820 -14.984 22.833 1.00 20.76 O ATOM 957 CB LEU A 100 -3.293 -14.640 19.904 1.00 21.67 C ATOM 958 CG LEU A 100 -1.987 -15.110 19.278 1.00 22.66 C ATOM 959 CD1 LEU A 100 -1.940 -16.622 19.229 1.00 23.53 C ATOM 960 CD2 LEU A 100 -1.835 -14.527 17.882 1.00 22.61 C ATOM 961 H LEU A 100 -5.645 -14.550 20.769 1.00 0.00 H ATOM 962 N GLY A 101 -3.319 -13.299 22.806 1.00 17.32 N ATOM 963 CA GLY A 101 -2.711 -12.559 23.908 1.00 19.37 C ATOM 964 C GLY A 101 -2.760 -13.376 25.190 1.00 21.85 C ATOM 965 O GLY A 101 -1.759 -13.490 25.894 1.00 22.01 O ATOM 966 H GLY A 101 -4.152 -12.895 22.333 1.00 0.00 H ATOM 967 N LYS A 102 -3.911 -13.990 25.455 1.00 20.76 N ATOM 968 CA LYS A 102 -4.076 -14.823 26.651 1.00 26.04 C ATOM 969 C LYS A 102 -3.191 -16.070 26.613 1.00 22.13 C ATOM 970 O LYS A 102 -2.597 -16.445 27.635 1.00 23.15 O ATOM 971 CB LYS A 102 -5.543 -15.211 26.833 1.00 26.65 C ATOM 972 CG LYS A 102 -6.415 -14.038 27.247 1.00 33.64 C ATOM 973 CD LYS A 102 -7.897 -14.370 27.143 1.00 37.82 C ATOM 974 CE LYS A 102 -8.744 -13.240 27.712 1.00 43.70 C ATOM 975 NZ LYS A 102 -10.004 -13.060 26.944 1.00 52.42 N ATOM 976 HZ1 LYS A 102 -9.776 -12.834 25.955 1.00 0.00 H ATOM 977 HZ2 LYS A 102 -10.560 -13.938 26.981 1.00 0.00 H ATOM 978 HZ3 LYS A 102 -10.554 -12.282 27.361 1.00 0.00 H ATOM 979 H LYS A 102 -4.711 -13.877 24.800 1.00 0.00 H ATOM 980 N THR A 103 -3.068 -16.672 25.430 1.00 20.95 N ATOM 981 CA THR A 103 -2.189 -17.825 25.233 1.00 24.93 C ATOM 982 C THR A 103 -0.732 -17.495 25.610 1.00 26.05 C ATOM 983 O THR A 103 -0.083 -18.278 26.291 1.00 25.87 O ATOM 984 CB THR A 103 -2.295 -18.341 23.798 1.00 26.28 C ATOM 985 OG1 THR A 103 -3.638 -18.791 23.571 1.00 26.51 O ATOM 986 CG2 THR A 103 -1.309 -19.484 23.528 1.00 29.97 C ATOM 987 HG1 THR A 103 -4.265 -18.037 23.705 1.00 0.00 H ATOM 988 H THR A 103 -3.614 -16.311 24.622 1.00 0.00 H ATOM 989 N PHE A 104 -0.249 -16.319 25.215 1.00 22.42 N ATOM 990 CA PHE A 104 1.146 -15.926 25.483 1.00 20.82 C ATOM 991 C PHE A 104 1.339 -15.031 26.703 1.00 22.15 C ATOM 992 O PHE A 104 2.450 -14.545 26.940 1.00 27.32 O ATOM 993 CB PHE A 104 1.737 -15.249 24.245 1.00 21.25 C ATOM 994 CG PHE A 104 1.769 -16.127 23.030 1.00 21.49 C ATOM 995 CD1 PHE A 104 2.494 -17.313 23.030 1.00 22.49 C ATOM 996 CD2 PHE A 104 1.100 -15.762 21.876 1.00 22.56 C ATOM 997 CE1 PHE A 104 2.533 -18.114 21.907 1.00 21.99 C ATOM 998 CE2 PHE A 104 1.117 -16.569 20.759 1.00 26.46 C ATOM 999 CZ PHE A 104 1.837 -17.751 20.771 1.00 24.59 C ATOM 1000 H PHE A 104 -0.872 -15.661 24.704 1.00 0.00 H ATOM 1001 N GLY A 105 0.278 -14.796 27.468 1.00 21.26 N ATOM 1002 CA GLY A 105 0.336 -13.950 28.643 1.00 23.99 C ATOM 1003 C GLY A 105 0.719 -12.515 28.341 1.00 26.72 C ATOM 1004 O GLY A 105 1.449 -11.884 29.112 1.00 26.30 O ATOM 1005 H GLY A 105 -0.629 -15.236 27.213 1.00 0.00 H ATOM 1006 N VAL A 106 0.224 -11.993 27.218 1.00 19.06 N ATOM 1007 CA VAL A 106 0.453 -10.593 26.867 1.00 18.27 C ATOM 1008 C VAL A 106 -0.335 -9.736 27.854 1.00 19.45 C ATOM 1009 O VAL A 106 -1.549 -9.867 27.953 1.00 23.21 O ATOM 1010 CB VAL A 106 0.044 -10.298 25.405 1.00 19.04 C ATOM 1011 CG1 VAL A 106 0.214 -8.812 25.079 1.00 21.82 C ATOM 1012 CG2 VAL A 106 0.855 -11.161 24.425 1.00 19.18 C ATOM 1013 H VAL A 106 -0.336 -12.594 26.580 1.00 0.00 H ATOM 1014 N GLU A 107 0.351 -8.875 28.591 1.00 19.02 N ATOM 1015 CA GLU A 107 -0.301 -7.996 29.573 1.00 22.26 C ATOM 1016 C GLU A 107 -0.260 -6.516 29.209 1.00 19.13 C ATOM 1017 O GLU A 107 -0.815 -5.688 29.926 1.00 19.81 O ATOM 1018 CB GLU A 107 0.319 -8.207 30.950 1.00 29.32 C ATOM 1019 CG GLU A 107 0.110 -9.614 31.481 1.00 39.00 C ATOM 1020 CD GLU A 107 0.235 -9.698 32.990 1.00 49.45 C ATOM 1021 OE1 GLU A 107 0.996 -8.899 33.584 1.00 48.12 O ATOM 1022 OE2 GLU A 107 -0.437 -10.568 33.580 1.00 55.73 O ATOM 1023 H GLU A 107 1.383 -8.819 28.471 1.00 0.00 H ATOM 1024 N SER A 108 0.416 -6.187 28.106 1.00 18.64 N ATOM 1025 CA SER A 108 0.432 -4.842 27.556 1.00 15.97 C ATOM 1026 C SER A 108 0.998 -4.921 26.152 1.00 16.24 C ATOM 1027 O SER A 108 1.547 -5.967 25.756 1.00 16.58 O ATOM 1028 CB SER A 108 1.304 -3.908 28.401 1.00 20.31 C ATOM 1029 OG SER A 108 2.654 -4.311 28.349 1.00 23.53 O ATOM 1030 HG SER A 108 2.969 -4.285 27.411 1.00 0.00 H ATOM 1031 H SER A 108 0.957 -6.929 27.617 1.00 0.00 H ATOM 1032 N ILE A 109 0.886 -3.819 25.415 1.00 15.65 N ATOM 1033 CA ILE A 109 1.547 -3.699 24.109 1.00 15.35 C ATOM 1034 C ILE A 109 2.334 -2.396 24.102 1.00 15.03 C ATOM 1035 O ILE A 109 2.020 -1.493 24.890 1.00 17.15 O ATOM 1036 CB ILE A 109 0.555 -3.791 22.940 1.00 14.28 C ATOM 1037 CG1 ILE A 109 -0.401 -2.591 22.951 1.00 13.91 C ATOM 1038 CG2 ILE A 109 -0.206 -5.107 23.016 1.00 14.32 C ATOM 1039 CD1 ILE A 109 -1.348 -2.503 21.778 1.00 15.10 C ATOM 1040 H ILE A 109 0.318 -3.025 25.772 1.00 0.00 H ATOM 1041 N PRO A 110 3.363 -2.292 23.250 1.00 13.56 N ATOM 1042 CA PRO A 110 3.857 -3.305 22.280 1.00 14.46 C ATOM 1043 C PRO A 110 4.518 -4.497 22.956 1.00 13.98 C ATOM 1044 O PRO A 110 5.212 -4.317 23.950 1.00 14.48 O ATOM 1045 CB PRO A 110 4.898 -2.529 21.473 1.00 14.21 C ATOM 1046 CG PRO A 110 5.384 -1.485 22.421 1.00 15.31 C ATOM 1047 CD PRO A 110 4.174 -1.069 23.187 1.00 15.54 C ATOM 1048 N THR A 111 4.308 -5.686 22.391 1.00 12.31 N ATOM 1049 CA THR A 111 4.955 -6.907 22.856 1.00 13.84 C ATOM 1050 C THR A 111 5.336 -7.724 21.645 1.00 12.01 C ATOM 1051 O THR A 111 4.579 -7.788 20.684 1.00 12.54 O ATOM 1052 CB THR A 111 4.015 -7.699 23.769 1.00 18.09 C ATOM 1053 OG1 THR A 111 3.861 -6.972 24.993 1.00 20.98 O ATOM 1054 CG2 THR A 111 4.536 -9.094 24.092 1.00 18.50 C ATOM 1055 HG1 THR A 111 3.477 -6.080 24.800 1.00 0.00 H ATOM 1056 H THR A 111 3.655 -5.745 21.584 1.00 0.00 H ATOM 1057 N LEU A 112 6.529 -8.309 21.705 1.00 12.37 N ATOM 1058 CA LEU A 112 6.976 -9.309 20.760 1.00 13.10 C ATOM 1059 C LEU A 112 7.051 -10.670 21.436 1.00 12.58 C ATOM 1060 O LEU A 112 7.621 -10.797 22.505 1.00 13.96 O ATOM 1061 CB LEU A 112 8.354 -8.961 20.212 1.00 13.97 C ATOM 1062 CG LEU A 112 8.430 -7.788 19.235 1.00 13.74 C ATOM 1063 CD1 LEU A 112 9.887 -7.445 18.962 1.00 15.12 C ATOM 1064 CD2 LEU A 112 7.696 -8.064 17.923 1.00 14.35 C ATOM 1065 H LEU A 112 7.175 -8.033 22.472 1.00 0.00 H ATOM 1066 N ILE A 113 6.462 -11.683 20.811 1.00 12.33 N ATOM 1067 CA ILE A 113 6.627 -13.079 21.252 1.00 13.85 C ATOM 1068 C ILE A 113 7.423 -13.789 20.174 1.00 13.91 C ATOM 1069 O ILE A 113 7.043 -13.754 19.008 1.00 12.75 O ATOM 1070 CB ILE A 113 5.277 -13.776 21.470 1.00 14.33 C ATOM 1071 CG1 ILE A 113 4.438 -12.981 22.485 1.00 16.04 C ATOM 1072 CG2 ILE A 113 5.457 -15.240 21.900 1.00 15.82 C ATOM 1073 CD1 ILE A 113 4.988 -12.931 23.891 1.00 16.89 C ATOM 1074 H ILE A 113 5.865 -11.484 19.983 1.00 0.00 H ATOM 1075 N THR A 114 8.525 -14.423 20.562 1.00 12.22 N ATOM 1076 CA THR A 114 9.396 -15.066 19.596 1.00 12.18 C ATOM 1077 C THR A 114 9.051 -16.546 19.560 1.00 12.65 C ATOM 1078 O THR A 114 9.026 -17.211 20.603 1.00 13.46 O ATOM 1079 CB THR A 114 10.866 -14.909 19.983 1.00 14.29 C ATOM 1080 OG1 THR A 114 11.156 -13.546 20.350 1.00 14.93 O ATOM 1081 CG2 THR A 114 11.776 -15.308 18.804 1.00 14.73 C ATOM 1082 HG1 THR A 114 12.112 -13.468 20.596 1.00 0.00 H ATOM 1083 H THR A 114 8.766 -14.459 21.573 1.00 0.00 H ATOM 1084 N ILE A 115 8.858 -17.067 18.352 1.00 13.30 N ATOM 1085 CA ILE A 115 8.380 -18.440 18.136 1.00 14.60 C ATOM 1086 C ILE A 115 9.224 -19.135 17.077 1.00 16.71 C ATOM 1087 O ILE A 115 9.580 -18.534 16.043 1.00 16.16 O ATOM 1088 CB ILE A 115 6.919 -18.456 17.597 1.00 17.53 C ATOM 1089 CG1 ILE A 115 5.972 -17.681 18.528 1.00 19.22 C ATOM 1090 CG2 ILE A 115 6.391 -19.886 17.385 1.00 20.33 C ATOM 1091 CD1 ILE A 115 5.842 -18.284 19.895 1.00 21.16 C ATOM 1092 H ILE A 115 9.055 -16.475 17.520 1.00 0.00 H ATOM 1093 N ASN A 116 9.522 -20.406 17.324 1.00 14.56 N ATOM 1094 CA ASN A 116 10.068 -21.300 16.300 1.00 15.87 C ATOM 1095 C ASN A 116 8.899 -21.700 15.385 1.00 15.61 C ATOM 1096 O ASN A 116 7.972 -22.362 15.832 1.00 15.80 O ATOM 1097 CB ASN A 116 10.694 -22.520 16.993 1.00 17.04 C ATOM 1098 CG ASN A 116 11.341 -23.510 16.027 1.00 18.43 C ATOM 1099 OD1 ASN A 116 10.854 -23.740 14.915 1.00 21.72 O ATOM 1100 ND2 ASN A 116 12.422 -24.145 16.478 1.00 19.85 N ATOM 1101 HD22 ASN A 116 12.801 -23.922 17.421 1.00 0.00 H ATOM 1102 HD21 ASN A 116 12.887 -24.864 15.887 1.00 0.00 H ATOM 1103 H ASN A 116 9.362 -20.780 18.281 1.00 0.00 H ATOM 1104 N ALA A 117 8.921 -21.280 14.118 1.00 15.73 N ATOM 1105 CA ALA A 117 7.761 -21.526 13.204 1.00 17.68 C ATOM 1106 C ALA A 117 7.364 -22.997 13.055 1.00 19.66 C ATOM 1107 O ALA A 117 6.186 -23.341 13.046 1.00 23.83 O ATOM 1108 CB ALA A 117 8.006 -20.949 11.826 1.00 16.92 C ATOM 1109 H ALA A 117 9.757 -20.774 13.760 1.00 0.00 H ATOM 1110 N ASP A 118 8.370 -23.846 12.938 1.00 19.25 N ATOM 1111 CA ASP A 118 8.154 -25.271 12.681 1.00 18.34 C ATOM 1112 C ASP A 118 7.543 -25.997 13.861 1.00 16.65 C ATOM 1113 O ASP A 118 6.604 -26.774 13.672 1.00 20.14 O ATOM 1114 CB ASP A 118 9.486 -25.932 12.314 1.00 20.85 C ATOM 1115 CG ASP A 118 9.983 -25.500 10.966 1.00 22.77 C ATOM 1116 OD1 ASP A 118 9.215 -24.851 10.225 1.00 23.28 O ATOM 1117 OD2 ASP A 118 11.143 -25.815 10.646 1.00 27.20 O ATOM 1118 H ASP A 118 9.343 -23.492 13.031 1.00 0.00 H ATOM 1119 N THR A 119 8.078 -25.758 15.056 1.00 18.16 N ATOM 1120 CA THR A 119 7.625 -26.454 16.256 1.00 17.64 C ATOM 1121 C THR A 119 6.588 -25.681 17.079 1.00 18.75 C ATOM 1122 O THR A 119 5.982 -26.254 17.992 1.00 19.21 O ATOM 1123 CB THR A 119 8.795 -26.791 17.187 1.00 20.97 C ATOM 1124 OG1 THR A 119 9.366 -25.584 17.708 1.00 19.53 O ATOM 1125 CG2 THR A 119 9.841 -27.598 16.459 1.00 23.41 C ATOM 1126 HG1 THR A 119 10.121 -25.809 18.308 1.00 0.00 H ATOM 1127 H THR A 119 8.840 -25.055 15.137 1.00 0.00 H ATOM 1128 N GLY A 120 6.406 -24.390 16.783 1.00 16.47 N ATOM 1129 CA GLY A 120 5.597 -23.520 17.610 1.00 18.00 C ATOM 1130 C GLY A 120 6.169 -23.218 18.997 1.00 18.13 C ATOM 1131 O GLY A 120 5.497 -22.581 19.799 1.00 19.38 O ATOM 1132 H GLY A 120 6.859 -23.999 15.933 1.00 0.00 H ATOM 1133 N ALA A 121 7.399 -23.632 19.292 1.00 17.36 N ATOM 1134 CA ALA A 121 7.981 -23.404 20.614 1.00 18.23 C ATOM 1135 C ALA A 121 8.174 -21.902 20.852 1.00 17.75 C ATOM 1136 O ALA A 121 8.650 -21.190 19.959 1.00 17.25 O ATOM 1137 CB ALA A 121 9.300 -24.127 20.732 1.00 18.86 C ATOM 1138 H ALA A 121 7.957 -24.128 18.568 1.00 0.00 H ATOM 1139 N ILE A 122 7.743 -21.436 22.023 1.00 15.97 N ATOM 1140 CA ILE A 122 8.062 -20.093 22.485 1.00 16.62 C ATOM 1141 C ILE A 122 9.555 -20.102 22.816 1.00 17.87 C ATOM 1142 O ILE A 122 10.028 -20.922 23.613 1.00 20.57 O ATOM 1143 CB ILE A 122 7.228 -19.688 23.711 1.00 18.61 C ATOM 1144 CG1 ILE A 122 5.733 -19.721 23.374 1.00 22.52 C ATOM 1145 CG2 ILE A 122 7.667 -18.316 24.238 1.00 17.59 C ATOM 1146 CD1 ILE A 122 4.841 -19.581 24.588 1.00 24.87 C ATOM 1147 H ILE A 122 7.160 -22.051 22.626 1.00 0.00 H ATOM 1148 N ILE A 123 10.307 -19.226 22.160 1.00 15.39 N ATOM 1149 CA ILE A 123 11.732 -19.113 22.410 1.00 18.72 C ATOM 1150 C ILE A 123 12.116 -17.762 23.008 1.00 19.54 C ATOM 1151 O ILE A 123 13.286 -17.521 23.276 1.00 26.48 O ATOM 1152 CB ILE A 123 12.571 -19.484 21.170 1.00 25.16 C ATOM 1153 CG1 ILE A 123 12.128 -18.711 19.939 1.00 23.61 C ATOM 1154 CG2 ILE A 123 12.465 -20.994 20.912 1.00 28.16 C ATOM 1155 CD1 ILE A 123 12.912 -19.059 18.683 1.00 26.50 C ATOM 1156 H ILE A 123 9.865 -18.607 21.451 1.00 0.00 H ATOM 1157 N GLY A 124 11.137 -16.904 23.284 1.00 16.89 N ATOM 1158 CA GLY A 124 11.408 -15.647 24.000 1.00 17.18 C ATOM 1159 C GLY A 124 10.156 -14.816 24.124 1.00 17.22 C ATOM 1160 O GLY A 124 9.240 -14.959 23.319 1.00 15.30 O ATOM 1161 H GLY A 124 10.165 -17.125 22.989 1.00 0.00 H ATOM 1162 N THR A 125 10.103 -13.950 25.133 1.00 16.27 N ATOM 1163 CA THR A 125 8.975 -13.031 25.303 1.00 15.23 C ATOM 1164 C THR A 125 9.403 -11.571 25.462 1.00 14.97 C ATOM 1165 O THR A 125 8.530 -10.695 25.553 1.00 15.90 O ATOM 1166 CB THR A 125 8.109 -13.420 26.528 1.00 20.07 C ATOM 1167 OG1 THR A 125 8.873 -13.286 27.742 1.00 24.55 O ATOM 1168 CG2 THR A 125 7.597 -14.840 26.388 1.00 22.95 C ATOM 1169 HG1 THR A 125 9.663 -13.882 27.701 1.00 0.00 H ATOM 1170 H THR A 125 10.884 -13.925 25.820 1.00 0.00 H ATOM 1171 N GLN A 126 10.715 -11.310 25.457 1.00 14.15 N ATOM 1172 CA GLN A 126 11.272 -9.983 25.764 1.00 16.69 C ATOM 1173 C GLN A 126 11.976 -9.310 24.588 1.00 17.26 C ATOM 1174 O GLN A 126 12.723 -8.350 24.794 1.00 16.33 O ATOM 1175 CB GLN A 126 12.262 -10.105 26.937 1.00 18.80 C ATOM 1176 CG GLN A 126 11.681 -10.752 28.188 1.00 21.46 C ATOM 1177 CD GLN A 126 10.445 -10.040 28.708 1.00 29.27 C ATOM 1178 OE1 GLN A 126 10.500 -8.857 29.050 1.00 41.08 O ATOM 1179 NE2 GLN A 126 9.313 -10.749 28.757 1.00 34.85 N ATOM 1180 HE22 GLN A 126 9.310 -11.745 28.459 1.00 0.00 H ATOM 1181 HE21 GLN A 126 8.435 -10.304 29.093 1.00 0.00 H ATOM 1182 H GLN A 126 11.373 -12.082 25.225 1.00 0.00 H ATOM 1183 N ALA A 127 11.707 -9.748 23.351 1.00 14.14 N ATOM 1184 CA ALA A 127 12.391 -9.169 22.189 1.00 14.58 C ATOM 1185 C ALA A 127 12.156 -7.662 22.022 1.00 14.26 C ATOM 1186 O ALA A 127 13.024 -6.983 21.482 1.00 14.87 O ATOM 1187 CB ALA A 127 12.033 -9.906 20.915 1.00 13.13 C ATOM 1188 H ALA A 127 11.007 -10.505 23.213 1.00 0.00 H ATOM 1189 N ARG A 128 11.003 -7.161 22.466 1.00 15.15 N ATOM 1190 CA ARG A 128 10.701 -5.717 22.422 1.00 15.85 C ATOM 1191 C ARG A 128 11.750 -4.923 23.197 1.00 17.67 C ATOM 1192 O ARG A 128 12.124 -3.813 22.794 1.00 19.80 O ATOM 1193 CB ARG A 128 9.287 -5.424 22.963 1.00 14.74 C ATOM 1194 CG ARG A 128 8.853 -3.941 22.978 1.00 15.83 C ATOM 1195 CD ARG A 128 9.031 -3.290 24.344 1.00 15.04 C ATOM 1196 NE ARG A 128 8.450 -1.952 24.445 1.00 17.02 N ATOM 1197 CZ ARG A 128 8.928 -0.848 23.867 1.00 15.74 C ATOM 1198 NH1 ARG A 128 10.011 -0.869 23.094 1.00 16.96 N ATOM 1199 NH2 ARG A 128 8.308 0.304 24.064 1.00 15.63 N ATOM 1200 HE ARG A 128 7.588 -1.852 25.018 1.00 0.00 H ATOM 1201 HH12 ARG A 128 10.356 0.010 22.659 1.00 0.00 H ATOM 1202 HH11 ARG A 128 10.512 -1.765 22.925 1.00 0.00 H ATOM 1203 HH22 ARG A 128 8.670 1.172 23.620 1.00 0.00 H ATOM 1204 HH21 ARG A 128 7.459 0.342 24.663 1.00 0.00 H ATOM 1205 H ARG A 128 10.291 -7.811 22.857 1.00 0.00 H ATOM 1206 N THR A 129 12.214 -5.501 24.303 1.00 15.90 N ATOM 1207 CA THR A 129 13.278 -4.923 25.121 1.00 16.99 C ATOM 1208 C THR A 129 14.650 -5.191 24.508 1.00 15.19 C ATOM 1209 O THR A 129 15.496 -4.304 24.451 1.00 15.51 O ATOM 1210 CB THR A 129 13.203 -5.492 26.552 1.00 17.45 C ATOM 1211 OG1 THR A 129 11.894 -5.248 27.076 1.00 18.01 O ATOM 1212 CG2 THR A 129 14.218 -4.831 27.480 1.00 20.26 C ATOM 1213 HG1 THR A 129 11.222 -5.693 26.501 1.00 0.00 H ATOM 1214 H THR A 129 11.799 -6.408 24.599 1.00 0.00 H ATOM 1215 N ARG A 130 14.881 -6.410 24.032 1.00 15.33 N ATOM 1216 CA ARG A 130 16.193 -6.760 23.468 1.00 17.37 C ATOM 1217 C ARG A 130 16.558 -5.992 22.196 1.00 16.07 C ATOM 1218 O ARG A 130 17.741 -5.689 21.951 1.00 18.03 O ATOM 1219 CB ARG A 130 16.301 -8.256 23.234 1.00 20.15 C ATOM 1220 CG ARG A 130 16.089 -9.103 24.481 1.00 24.68 C ATOM 1221 CD ARG A 130 17.261 -9.030 25.460 1.00 30.64 C ATOM 1222 NE ARG A 130 17.001 -9.920 26.596 1.00 40.49 N ATOM 1223 CZ ARG A 130 16.346 -9.592 27.716 1.00 47.09 C ATOM 1224 NH1 ARG A 130 15.880 -8.363 27.914 1.00 46.89 N ATOM 1225 NH2 ARG A 130 16.169 -10.510 28.665 1.00 52.63 N ATOM 1226 HE ARG A 130 17.358 -10.894 26.525 1.00 0.00 H ATOM 1227 HH12 ARG A 130 15.374 -8.134 28.793 1.00 0.00 H ATOM 1228 HH11 ARG A 130 16.021 -7.630 27.189 1.00 0.00 H ATOM 1229 HH22 ARG A 130 15.661 -10.264 29.539 1.00 0.00 H ATOM 1230 HH21 ARG A 130 16.539 -11.473 28.532 1.00 0.00 H ATOM 1231 H ARG A 130 14.126 -7.124 24.059 1.00 0.00 H ATOM 1232 N VAL A 131 15.553 -5.658 21.391 1.00 15.74 N ATOM 1233 CA VAL A 131 15.739 -4.798 20.212 1.00 15.27 C ATOM 1234 C VAL A 131 16.309 -3.422 20.618 1.00 15.25 C ATOM 1235 O VAL A 131 17.160 -2.869 19.914 1.00 16.66 O ATOM 1236 CB VAL A 131 14.412 -4.671 19.393 1.00 16.75 C ATOM 1237 CG1 VAL A 131 14.471 -3.554 18.344 1.00 19.87 C ATOM 1238 CG2 VAL A 131 14.079 -6.003 18.716 1.00 16.71 C ATOM 1239 H VAL A 131 14.601 -6.018 21.603 1.00 0.00 H ATOM 1240 N ILE A 132 15.842 -2.881 21.741 1.00 15.44 N ATOM 1241 CA ILE A 132 16.312 -1.587 22.224 1.00 16.25 C ATOM 1242 C ILE A 132 17.755 -1.660 22.732 1.00 17.37 C ATOM 1243 O ILE A 132 18.548 -0.749 22.471 1.00 18.54 O ATOM 1244 CB ILE A 132 15.369 -1.054 23.315 1.00 15.89 C ATOM 1245 CG1 ILE A 132 13.931 -1.084 22.803 1.00 16.04 C ATOM 1246 CG2 ILE A 132 15.752 0.357 23.731 1.00 17.63 C ATOM 1247 CD1 ILE A 132 13.693 -0.211 21.591 1.00 16.05 C ATOM 1248 H ILE A 132 15.123 -3.395 22.289 1.00 0.00 H ATOM 1249 N GLU A 133 18.106 -2.732 23.443 1.00 18.74 N ATOM 1250 CA GLU A 133 19.487 -2.867 23.983 1.00 20.82 C ATOM 1251 C GLU A 133 20.505 -3.323 22.946 1.00 25.91 C ATOM 1252 O GLU A 133 21.664 -2.921 23.005 1.00 28.27 O ATOM 1253 CB GLU A 133 19.576 -3.703 25.275 1.00 27.81 C ATOM 1254 CG GLU A 133 18.971 -5.067 25.261 1.00 29.85 C ATOM 1255 CD GLU A 133 19.100 -5.760 26.601 1.00 38.80 C ATOM 1256 OE1 GLU A 133 18.062 -5.968 27.273 1.00 40.00 O ATOM 1257 OE2 GLU A 133 20.240 -6.086 26.982 1.00 48.09 O ATOM 1258 H GLU A 133 17.408 -3.482 23.622 1.00 0.00 H ATOM 1259 N ASP A 134 20.056 -4.112 21.972 1.00 24.46 N ATOM 1260 CA ASP A 134 20.944 -4.824 21.042 1.00 30.67 C ATOM 1261 C ASP A 134 20.412 -4.670 19.606 1.00 26.01 C ATOM 1262 O ASP A 134 20.060 -5.651 18.982 1.00 31.06 O ATOM 1263 CB ASP A 134 20.995 -6.311 21.489 1.00 33.46 C ATOM 1264 CG ASP A 134 21.970 -7.193 20.660 1.00 45.44 C ATOM 1265 OD1 ASP A 134 22.950 -6.667 20.079 1.00 48.96 O ATOM 1266 OD2 ASP A 134 21.748 -8.437 20.614 1.00 47.00 O ATOM 1267 H ASP A 134 19.028 -4.230 21.864 1.00 0.00 H ATOM 1268 N PRO A 135 20.330 -3.425 19.089 1.00 24.66 N ATOM 1269 CA PRO A 135 19.735 -3.212 17.769 1.00 27.48 C ATOM 1270 C PRO A 135 20.587 -3.807 16.647 1.00 30.46 C ATOM 1271 O PRO A 135 20.073 -4.079 15.559 1.00 22.04 O ATOM 1272 CB PRO A 135 19.646 -1.691 17.657 1.00 33.85 C ATOM 1273 CG PRO A 135 20.718 -1.188 18.544 1.00 32.20 C ATOM 1274 CD PRO A 135 20.818 -2.163 19.673 1.00 31.42 C ATOM 1275 N ASP A 136 21.875 -4.008 16.927 1.00 39.64 N ATOM 1276 CA ASP A 136 22.706 -4.857 16.088 1.00 45.19 C ATOM 1277 C ASP A 136 22.469 -6.321 16.430 1.00 40.89 C ATOM 1278 O ASP A 136 21.845 -6.650 17.433 1.00 56.20 O ATOM 1279 CB ASP A 136 24.189 -4.514 16.259 1.00 55.48 C ATOM 1280 CG ASP A 136 25.034 -5.042 15.122 1.00 60.77 C ATOM 1281 OD1 ASP A 136 24.433 -5.365 14.072 1.00 45.99 O ATOM 1282 OD2 ASP A 136 26.278 -5.163 15.269 1.00 46.12 O ATOM 1283 H ASP A 136 22.293 -3.549 17.761 1.00 0.00 H ATOM 1284 N GLY A 137 22.936 -7.206 15.564 1.00 46.05 N ATOM 1285 CA GLY A 137 23.006 -8.608 15.887 1.00 60.27 C ATOM 1286 C GLY A 137 24.061 -8.815 16.949 1.00 58.06 C ATOM 1287 O GLY A 137 25.168 -8.270 16.858 1.00 73.02 O ATOM 1288 H GLY A 137 23.259 -6.882 14.630 1.00 0.00 H ATOM 1289 N ALA A 138 23.690 -9.556 17.984 1.00 58.84 N ATOM 1290 CA ALA A 138 24.670 -10.120 18.918 1.00 52.45 C ATOM 1291 C ALA A 138 24.126 -11.410 19.547 1.00 51.46 C ATOM 1292 O ALA A 138 24.741 -12.467 19.396 1.00 35.78 O ATOM 1293 CB ALA A 138 25.087 -9.100 19.983 1.00 42.56 C ATOM 1294 H ALA A 138 22.678 -9.742 18.137 1.00 0.00 H ATOM 1295 N ASN A 139 22.960 -11.333 20.203 1.00 56.61 N ATOM 1296 CA ASN A 139 22.445 -12.440 21.018 1.00 54.83 C ATOM 1297 C ASN A 139 21.148 -13.042 20.487 1.00 53.05 C ATOM 1298 O ASN A 139 20.202 -13.241 21.233 1.00 39.15 O ATOM 1299 CB ASN A 139 22.287 -11.968 22.467 1.00 57.78 C ATOM 1300 CG ASN A 139 23.561 -11.368 23.012 1.00 57.82 C ATOM 1301 OD1 ASN A 139 23.764 -10.151 22.948 1.00 55.87 O ATOM 1302 ND2 ASN A 139 24.451 -12.223 23.499 1.00 45.63 N ATOM 1303 HD22 ASN A 139 24.232 -13.239 23.531 1.00 0.00 H ATOM 1304 HD21 ASN A 139 25.367 -11.877 23.848 1.00 0.00 H ATOM 1305 H ASN A 139 22.401 -10.459 20.132 1.00 0.00 H ATOM 1306 N PHE A 140 21.161 -13.416 19.210 1.00 69.33 N ATOM 1307 CA PHE A 140 19.995 -13.996 18.527 1.00 61.30 C ATOM 1308 C PHE A 140 19.663 -15.441 18.906 1.00 64.20 C ATOM 1309 O PHE A 140 20.567 -16.242 19.148 1.00 69.08 O ATOM 1310 CB PHE A 140 20.207 -13.956 17.006 1.00 66.98 C ATOM 1311 CG PHE A 140 19.598 -12.764 16.350 1.00 59.83 C ATOM 1312 CD1 PHE A 140 20.287 -11.554 16.291 1.00 59.40 C ATOM 1313 CD2 PHE A 140 18.320 -12.847 15.803 1.00 55.82 C ATOM 1314 CE1 PHE A 140 19.708 -10.445 15.685 1.00 63.21 C ATOM 1315 CE2 PHE A 140 17.739 -11.747 15.196 1.00 57.67 C ATOM 1316 CZ PHE A 140 18.436 -10.546 15.130 1.00 55.06 C ATOM 1317 H PHE A 140 22.040 -13.292 18.668 1.00 0.00 H ATOM 1318 N PRO A 141 18.360 -15.789 18.965 1.00 58.97 N ATOM 1319 CA PRO A 141 17.141 -14.961 19.112 1.00 53.54 C ATOM 1320 C PRO A 141 16.777 -14.622 20.580 1.00 50.52 C ATOM 1321 O PRO A 141 15.602 -14.646 20.951 1.00 43.27 O ATOM 1322 CB PRO A 141 16.050 -15.837 18.466 1.00 53.14 C ATOM 1323 CG PRO A 141 16.785 -16.779 17.573 1.00 59.31 C ATOM 1324 CD PRO A 141 18.038 -17.086 18.332 1.00 55.29 C ATOM 1325 N TRP A 142 17.778 -14.306 21.400 1.00 50.24 N ATOM 1326 CA TRP A 142 17.590 -14.000 22.830 1.00 51.55 C ATOM 1327 C TRP A 142 16.815 -15.084 23.606 1.00 53.65 C ATOM 1328 O TRP A 142 15.904 -14.789 24.390 1.00 52.61 O ATOM 1329 CB TRP A 142 16.917 -12.633 22.996 1.00 42.01 C ATOM 1330 CG TRP A 142 17.595 -11.516 22.256 1.00 38.43 C ATOM 1331 CD1 TRP A 142 18.830 -10.991 22.505 1.00 36.25 C ATOM 1332 CD2 TRP A 142 17.055 -10.770 21.162 1.00 37.00 C ATOM 1333 NE1 TRP A 142 19.098 -9.970 21.623 1.00 36.70 N ATOM 1334 CE2 TRP A 142 18.030 -9.816 20.779 1.00 40.54 C ATOM 1335 CE3 TRP A 142 15.842 -10.817 20.460 1.00 39.57 C ATOM 1336 CZ2 TRP A 142 17.815 -8.898 19.732 1.00 29.89 C ATOM 1337 CZ3 TRP A 142 15.643 -9.931 19.421 1.00 31.21 C ATOM 1338 CH2 TRP A 142 16.612 -8.978 19.079 1.00 27.69 C ATOM 1339 HE1 TRP A 142 19.971 -9.406 21.601 1.00 0.00 H ATOM 1340 H TRP A 142 18.742 -14.273 21.011 1.00 0.00 H TER 1341 TRP A 142 HETATM 1342 O HOH 1 10.661 -14.953 28.029 1.00 24.92 O HETATM 1343 O HOH 2 1.429 -28.124 18.106 1.00 30.59 O HETATM 1344 O HOH 3 12.131 -26.799 8.569 1.00 17.46 O HETATM 1345 O HOH 4 -14.561 -3.203 8.233 1.00 32.72 O HETATM 1346 O HOH 5 5.041 -22.077 9.786 1.00 27.27 O HETATM 1347 O HOH 6 7.945 2.413 22.679 1.00 18.13 O HETATM 1348 O HOH 7 2.518 -12.364 31.380 1.00 30.67 O HETATM 1349 O HOH 8 13.516 -13.326 21.603 1.00 23.32 O HETATM 1350 O HOH 9 23.753 -4.302 19.471 1.00 31.90 O HETATM 1351 O HOH 10 -11.607 -11.329 20.654 1.00 32.47 O HETATM 1352 O HOH 11 -4.234 -22.569 10.847 1.00 51.51 O HETATM 1353 O HOH 12 6.325 0.708 26.452 1.00 25.34 O HETATM 1354 O HOH 13 -3.449 -4.338 4.521 1.00 22.11 O HETATM 1355 O HOH 14 16.776 -15.684 5.598 1.00 34.94 O HETATM 1356 O HOH 15 8.659 -15.256 5.407 1.00 33.70 O HETATM 1357 O HOH 16 0.539 -3.162 3.285 1.00 23.44 O HETATM 1358 O HOH 17 -9.243 -9.327 6.578 1.00 40.63 O HETATM 1359 O HOH 18 15.905 -23.070 9.878 1.00 35.90 O HETATM 1360 O HOH 19 -13.017 3.233 15.625 1.00 49.31 O HETATM 1361 O HOH 20 -9.249 -2.617 20.293 1.00 30.38 O HETATM 1362 O HOH 21 11.852 -28.255 11.465 1.00 38.54 O HETATM 1363 O HOH 22 -5.708 -9.506 1.263 1.00 29.83 O HETATM 1364 O HOH 23 13.237 -16.708 3.005 1.00 38.96 O HETATM 1365 O HOH 24 25.181 -10.459 14.143 1.00 46.52 O HETATM 1366 O HOH 25 13.650 -20.849 6.715 1.00 24.07 O HETATM 1367 O HOH 26 16.255 -17.642 12.862 1.00 20.06 O HETATM 1368 O HOH 27 6.498 -10.143 27.215 1.00 36.07 O HETATM 1369 O HOH 28 18.782 1.363 20.810 1.00 25.82 O HETATM 1370 O HOH 29 10.639 -20.021 4.909 1.00 21.08 O HETATM 1371 O HOH 30 22.693 -8.779 10.443 1.00 34.42 O HETATM 1372 O HOH 31 -12.387 -12.399 13.532 1.00 31.30 O HETATM 1373 O HOH 32 -1.332 -3.086 30.453 1.00 48.22 O HETATM 1374 O HOH 33 10.813 -0.587 6.649 1.00 34.32 O HETATM 1375 O HOH 34 -0.147 -5.355 1.841 1.00 24.12 O HETATM 1376 O HOH 35 10.485 1.598 22.079 1.00 28.50 O HETATM 1377 O HOH 36 13.447 -24.012 18.994 1.00 39.37 O HETATM 1378 O HOH 37 -8.366 -12.959 2.026 1.00 42.45 O HETATM 1379 O HOH 38 4.451 -3.538 26.453 1.00 35.26 O HETATM 1380 O HOH 39 0.813 -26.294 15.246 1.00 27.03 O HETATM 1381 O HOH 40 17.535 -8.001 5.728 1.00 34.73 O HETATM 1382 O HOH 41 -4.037 -10.779 27.295 1.00 38.14 O HETATM 1383 O HOH 42 10.206 -9.046 3.693 1.00 45.37 O HETATM 1384 O HOH 43 -5.280 -10.802 25.282 1.00 38.62 O HETATM 1385 O HOH 44 -8.508 0.994 15.260 1.00 18.17 O HETATM 1386 O HOH 45 -2.162 7.865 19.548 1.00 25.41 O HETATM 1387 O HOH 46 -9.378 6.648 11.372 1.00 31.44 O HETATM 1388 O HOH 47 -5.146 5.253 14.805 1.00 25.24 O HETATM 1389 O HOH 48 -3.841 -21.980 20.827 1.00 48.73 O HETATM 1390 O HOH 49 11.213 -22.976 12.273 1.00 26.17 O HETATM 1391 O HOH 50 11.684 -26.054 19.158 1.00 32.01 O HETATM 1392 O HOH 51 24.248 -3.897 11.717 1.00 27.29 O HETATM 1393 O HOH 52 10.197 -11.970 22.438 1.00 13.92 O HETATM 1394 O HOH 53 9.007 -5.457 2.734 1.00 31.26 O HETATM 1395 O HOH 54 23.006 -0.497 22.555 1.00 38.05 O HETATM 1396 O HOH 55 13.328 -13.667 6.418 1.00 34.02 O HETATM 1397 O HOH 56 2.740 -18.713 0.468 1.00 31.31 O HETATM 1398 O HOH 57 13.659 -20.504 15.485 1.00 27.72 O HETATM 1399 O HOH 58 2.150 -14.522 -2.199 1.00 40.21 O HETATM 1400 O HOH 59 16.057 -12.717 26.925 1.00 52.04 O HETATM 1401 O HOH 60 -3.799 -8.560 13.085 1.00 21.53 O HETATM 1402 O HOH 61 11.941 2.761 10.231 1.00 23.24 O HETATM 1403 O HOH 62 5.197 -12.044 0.026 1.00 32.77 O HETATM 1404 O HOH 63 8.499 -8.385 23.915 1.00 14.30 O HETATM 1405 O HOH 64 19.694 -9.282 6.538 1.00 24.93 O HETATM 1406 O HOH 65 -9.686 -10.227 19.818 1.00 25.93 O HETATM 1407 O HOH 66 6.310 -1.589 27.764 1.00 51.26 O HETATM 1408 O HOH 67 -5.957 -16.289 7.881 1.00 34.37 O HETATM 1409 O HOH 68 -14.636 1.868 13.924 1.00 39.68 O HETATM 1410 O HOH 69 -8.436 -6.393 16.678 1.00 39.07 O HETATM 1411 O HOH 70 3.204 -8.761 28.681 1.00 40.37 O HETATM 1412 O HOH 71 -7.003 -16.846 13.631 1.00 42.39 O HETATM 1413 O HOH 72 16.760 -0.216 18.918 1.00 33.91 O HETATM 1414 O HOH 73 -13.350 0.960 8.491 1.00 38.33 O HETATM 1415 O HOH 74 4.488 -12.952 28.178 1.00 51.29 O HETATM 1416 O HOH 75 -7.120 -6.286 14.102 1.00 33.96 O HETATM 1417 O HOH 76 -13.902 -1.187 10.245 1.00 29.59 O HETATM 1418 O HOH 77 2.496 5.367 13.522 1.00 42.64 O HETATM 1419 O HOH 78 4.497 3.878 13.979 1.00 19.70 O HETATM 1420 O HOH 79 25.147 -12.747 10.263 1.00 34.66 O HETATM 1421 O HOH 80 23.828 -14.759 7.852 1.00 43.30 O HETATM 1422 O HOH 81 6.681 -15.655 3.663 1.00 33.08 O HETATM 1423 O HOH 82 6.841 -26.926 20.748 1.00 28.27 O HETATM 1424 O HOH 83 6.970 -23.495 24.034 1.00 12.75 O HETATM 1425 O HOH 84 -1.187 -9.684 1.133 1.00 25.96 O HETATM 1426 O HOH 85 -6.430 -9.399 13.136 1.00 28.35 O HETATM 1427 O HOH 86 7.550 2.103 10.343 1.00 32.92 O HETATM 1428 O HOH 87 9.472 -6.891 26.275 1.00 19.17 O HETATM 1429 O HOH 88 12.908 1.015 8.303 1.00 37.56 O HETATM 1430 O HOH 89 16.326 -19.942 11.383 1.00 31.26 O HETATM 1431 O HOH 90 -13.477 3.529 9.020 1.00 25.81 O HETATM 1432 O HOH 91 14.833 -19.672 4.561 1.00 42.57 O HETATM 1433 O HOH 92 -3.569 3.896 11.418 1.00 15.08 O HETATM 1434 O HOH 93 14.574 -21.729 13.231 1.00 41.50 O HETATM 1435 O HOH 94 13.315 -24.784 12.547 1.00 42.37 O HETATM 1436 O HOH 95 13.331 -12.754 24.747 1.00 27.50 O HETATM 1437 O HOH 96 5.882 -8.489 3.476 1.00 29.63 O HETATM 1438 O HOH 97 7.844 -10.682 3.888 1.00 42.87 O HETATM 1439 O HOH 98 9.104 -18.997 1.553 1.00 52.89 O HETATM 1440 O HOH 99 -6.685 -18.214 25.227 1.00 46.68 O HETATM 1441 O HOH 100 7.680 -0.701 5.486 1.00 32.52 O HETATM 1442 O HOH 101 19.187 -4.563 4.124 1.00 48.16 O HETATM 1443 O HOH 102 -7.272 -8.039 5.907 1.00 23.60 O HETATM 1444 O HOH 103 -2.471 -13.126 -3.210 1.00 36.34 O HETATM 1445 O HOH 104 0.204 3.309 4.651 1.00 41.08 O HETATM 1446 O HOH 105 11.360 3.707 20.683 1.00 27.42 O HETATM 1447 O HOH 106 4.068 -10.837 27.193 1.00 41.44 O HETATM 1448 O HOH 107 20.269 -10.711 25.720 1.00 53.33 O HETATM 1449 O HOH 108 12.570 -20.556 3.267 1.00 34.46 O HETATM 1450 O HOH 109 6.499 -9.260 1.068 1.00 51.44 O HETATM 1451 O HOH 110 -9.339 -7.680 20.495 1.00 35.18 O HETATM 1452 O HOH 111 -5.079 -19.163 27.183 1.00 49.66 O HETATM 1453 O HOH 112 6.178 -12.378 30.160 1.00 41.84 O HETATM 1454 O HOH 113 23.887 -0.864 16.747 1.00 44.62 O HETATM 1455 O HOH 114 14.666 -14.558 4.411 1.00 45.16 O HETATM 1456 O HOH 115 -3.688 -21.306 26.562 1.00 46.35 O HETATM 1457 O HOH 116 21.810 -10.109 4.411 1.00 53.12 O HETATM 1458 O HOH 117 17.929 -7.565 3.221 1.00 46.20 O HETATM 1459 O HOH 118 5.161 -17.342 -0.158 1.00 41.25 O HETATM 1460 O HOH 119 27.384 -8.211 22.235 1.00 40.96 O HETATM 1461 O HOH 120 -15.466 5.722 12.265 1.00 41.79 O HETATM 1462 O HOH 121 6.698 -12.944 2.270 1.00 41.78 O HETATM 1463 O HOH 122 9.675 3.321 9.259 1.00 35.89 O HETATM 1464 C01 FFN A 123 -1.691 1.576 24.613 1.00 0.03 C HETATM 1465 C02 FFN A 123 -2.187 0.322 24.804 1.00 0.15 C HETATM 1466 N03 FFN A 123 -3.106 -0.217 24.005 1.00 -0.29 N HETATM 1467 C04 FFN A 123 -3.565 -1.451 24.227 1.00 0.08 C HETATM 1468 C15 FFN A 123 -3.137 -2.239 25.290 1.00 0.05 C HETATM 1469 C16 FFN A 123 -2.205 -1.677 26.112 1.00 0.21 C HETATM 1470 N18 FFN A 123 -1.724 -0.397 25.875 1.00 -0.20 N HETATM 1471 H4 FFN A 123 -1.039 0.001 26.486 1.00 0.26 H HETATM 1472 O17 FFN A 123 -1.694 -2.245 27.081 1.00 -0.41 O HETATM 1473 C07 FFN A 123 -3.735 -3.469 25.290 1.00 -0.03 C HETATM 1474 C06 FFN A 123 -4.620 -3.629 24.277 1.00 -0.00 C HETATM 1475 S05 FFN A 123 -4.665 -2.282 23.309 1.00 -0.03 S HETATM 1476 H5 FFN A 123 -5.222 -4.523 24.119 1.00 0.07 H HETATM 1477 C08 FFN A 123 -3.640 -4.498 26.202 1.00 -0.04 C HETATM 1478 C09 FFN A 123 -3.859 -4.257 27.566 1.00 -0.06 C HETATM 1479 C10 FFN A 123 -3.839 -5.246 28.556 1.00 -0.03 C HETATM 1480 C11 FFN A 123 -3.628 -6.566 28.194 1.00 0.13 C HETATM 1481 F12 FFN A 123 -3.613 -7.548 29.173 1.00 -0.19 F HETATM 1482 C13 FFN A 123 -3.437 -6.851 26.841 1.00 -0.03 C HETATM 1483 C14 FFN A 123 -3.448 -5.842 25.856 1.00 -0.06 C HETATM 1484 H9 FFN A 123 -3.306 -6.110 24.815 1.00 0.06 H HETATM 1485 H8 FFN A 123 -3.275 -7.879 26.538 1.00 0.06 H HETATM 1486 H7 FFN A 123 -3.987 -4.981 29.597 1.00 0.06 H HETATM 1487 H6 FFN A 123 -4.057 -3.237 27.874 1.00 0.06 H HETATM 1488 H1 FFN A 123 -2.155 2.022 23.721 1.00 0.05 H HETATM 1489 H2 FFN A 123 -0.602 1.522 24.471 1.00 0.05 H HETATM 1490 H3 FFN A 123 -1.916 2.197 25.493 1.00 0.05 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 1464 1465 1488 1489 1490 CONECT 1465 1464 1466 1470 CONECT 1466 1465 1467 CONECT 1467 1466 1468 1475 CONECT 1468 1467 1469 1473 CONECT 1469 1468 1470 1472 CONECT 1470 1465 1469 1471 CONECT 1471 1470 CONECT 1472 1469 CONECT 1473 1468 1474 1477 CONECT 1474 1473 1475 1476 CONECT 1475 1467 1474 CONECT 1476 1474 CONECT 1477 1473 1478 1483 CONECT 1478 1477 1479 1487 CONECT 1479 1478 1480 1486 CONECT 1480 1479 1481 1482 CONECT 1481 1480 CONECT 1482 1480 1483 1485 CONECT 1483 1477 1482 1484 CONECT 1484 1483 CONECT 1485 1482 CONECT 1486 1479 CONECT 1487 1478 CONECT 1488 1464 CONECT 1489 1464 CONECT 1490 1464 MASTER 0 0 0 0 0 0 0 0 1489 1 31 12 END
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Structure:
Ligand 2D
Ligand 3D
Protein
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Related entries of code: 6gxg
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
6gxy
RCSB PDB
PDBbind
146aa, >6GXY_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
6gxy
RCSB PDB
PDBbind
FFN
Entry Information
PDB ID
6gxg
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Tryparedoxin
Ligand Name
FFN
EC.Number
E.C.-.-.-.-
Resolution
1.6(Å)
Affinity (Kd/Ki/IC50)
Kd=5.7uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Angew. Chem. Int. Ed. Engl. Vol. 58: pp. 3640-3644
Ligand Properties
Formula
C
1
3
H
9
FN
2
OS
Molecular Weight
260.287
Exact Mass
260.042
No. of atoms
27
No. of bonds
29
Polar Surface Area
73.99
LOGP Value
2.43 (
Computed with XLOGP3
)
3.10 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 3
Canonical SMILES
Fc1ccc(cc1)c1csc2c1c(=O)[nH]c(n2)C
InChI String
InChI=1S/C13H9FN2OS/c1-7-15-12(17)11-10(6-18-13(11)16-7)8-2-4-9(14)5-3-8/h2-6H,1H3,(H,15,16,17)
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):
O77404
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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