Browse entries in the PDBbind-CN Database
HEADER 5ETM_COMPLEX COMPND 5ETM_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 159 MET THR VAL ALA TYR ILE ALA ILE GLY SER ASN LEU ALA SEQRES 2 A 159 SER PRO LEU GLU GLN VAL ASN ALA ALA LEU LYS ALA LEU SEQRES 3 A 159 GLY ASP ILE PRO GLU SER HIS ILE LEU THR VAL SER SER SEQRES 4 A 159 PHE TYR ARG THR PRO PRO LEU GLY PRO GLN ASP GLN PRO SEQRES 5 A 159 ASP TYR LEU ASN ALA ALA VAL ALA LEU GLU THR SER LEU SEQRES 6 A 159 ALA PRO GLU GLU LEU LEU ASN HIS THR GLN ARG ILE GLU SEQRES 7 A 159 LEU GLN GLN GLY ARG VAL ARG LYS ALA GLU ARG TRP GLY SEQRES 8 A 159 PRO ARG THR LEU ASP LEU ASP ILE MET LEU PHE GLY ASN SEQRES 9 A 159 GLU VAL ILE ASN THR GLU ARG LEU THR VAL PRO HIS TYR SEQRES 10 A 159 ASP MET LYS ASN ARG GLY PHE MET LEU TRP PRO LEU PHE SEQRES 11 A 159 GLU ILE ALA PRO GLU LEU VAL PHE PRO ASP GLY GLU MET SEQRES 12 A 159 LEU ARG GLN ILE LEU HIS THR ARG ALA PHE ASP LYS LEU SEQRES 13 A 159 ASN LYS TRP HET CA A 1 1 HET CA A 2 1 HET NA A 3 1 HET NA A 4 1 HET UNN A 252 31 ATOM 1 N MET A 0 -0.476 -22.795 -24.127 1.00 27.47 N ATOM 2 CA MET A 0 -0.156 -22.866 -22.665 1.00 26.55 C ATOM 3 C MET A 0 0.902 -21.876 -22.240 1.00 23.15 C ATOM 4 O MET A 0 1.765 -21.488 -23.021 1.00 22.75 O ATOM 5 CB MET A 0 0.299 -24.254 -22.213 1.00 34.14 C ATOM 6 CG MET A 0 -0.841 -25.260 -22.082 1.00 40.72 C ATOM 7 SD MET A 0 -0.303 -26.860 -21.440 1.00 57.42 S ATOM 8 CE MET A 0 0.837 -27.400 -22.715 1.00 53.03 C ATOM 9 HN3 MET A 0 0.383 -22.995 -24.679 1.00 0.00 H ATOM 10 HN2 MET A 0 -0.824 -21.843 -24.359 1.00 0.00 H ATOM 11 HN1 MET A 0 -1.208 -23.498 -24.355 1.00 0.00 H ATOM 12 N THR A 1 0.797 -21.464 -20.977 1.00 18.17 N ATOM 13 CA THR A 1 1.701 -20.466 -20.397 1.00 16.31 C ATOM 14 C THR A 1 1.770 -20.721 -18.943 1.00 14.15 C ATOM 15 O THR A 1 0.881 -21.378 -18.384 1.00 15.93 O ATOM 16 CB THR A 1 1.194 -19.054 -20.660 1.00 19.21 C ATOM 17 OG1 THR A 1 2.200 -18.118 -20.248 1.00 24.03 O ATOM 18 CG2 THR A 1 -0.145 -18.756 -19.998 1.00 21.55 C ATOM 19 HG1 THR A 1 1.880 -17.196 -20.415 1.00 0.00 H ATOM 20 H THR A 1 0.046 -21.865 -20.380 1.00 0.00 H ATOM 21 N VAL A 2 2.829 -20.246 -18.312 1.00 11.06 N ATOM 22 CA VAL A 2 2.944 -20.327 -16.854 1.00 10.01 C ATOM 23 C VAL A 2 2.564 -19.006 -16.196 1.00 9.05 C ATOM 24 O VAL A 2 3.171 -17.953 -16.488 1.00 9.98 O ATOM 25 CB VAL A 2 4.327 -20.786 -16.377 1.00 10.96 C ATOM 26 CG1 VAL A 2 4.392 -20.954 -14.868 1.00 13.06 C ATOM 27 CG2 VAL A 2 4.732 -22.057 -17.125 1.00 12.41 C ATOM 28 H VAL A 2 3.595 -19.806 -18.861 1.00 0.00 H ATOM 29 N ALA A 3 1.595 -19.092 -15.278 1.00 7.96 N ATOM 30 CA ALA A 3 1.168 -17.989 -14.480 1.00 8.10 C ATOM 31 C ALA A 3 1.806 -18.227 -13.130 1.00 8.35 C ATOM 32 O ALA A 3 1.972 -19.378 -12.684 1.00 9.09 O ATOM 33 CB ALA A 3 -0.322 -17.924 -14.393 1.00 9.13 C ATOM 34 H ALA A 3 1.128 -20.011 -15.139 1.00 0.00 H ATOM 35 N TYR A 4 2.170 -17.133 -12.515 1.00 7.38 N ATOM 36 CA TYR A 4 2.606 -17.125 -11.165 1.00 7.52 C ATOM 37 C TYR A 4 1.610 -16.361 -10.270 1.00 7.92 C ATOM 38 O TYR A 4 1.333 -15.224 -10.444 1.00 7.81 O ATOM 39 CB TYR A 4 4.014 -16.530 -11.077 1.00 8.00 C ATOM 40 CG TYR A 4 5.056 -17.363 -11.780 1.00 7.91 C ATOM 41 CD1 TYR A 4 5.661 -18.409 -11.141 1.00 8.34 C ATOM 42 CD2 TYR A 4 5.382 -17.133 -13.081 1.00 7.99 C ATOM 43 CE1 TYR A 4 6.618 -19.181 -11.771 1.00 9.52 C ATOM 44 CE2 TYR A 4 6.308 -17.922 -13.732 1.00 9.66 C ATOM 45 CZ TYR A 4 6.933 -18.939 -13.038 1.00 10.29 C ATOM 46 OH TYR A 4 7.883 -19.725 -13.640 1.00 13.77 O ATOM 47 HH TYR A 4 8.215 -20.394 -12.991 1.00 0.00 H ATOM 48 H TYR A 4 2.139 -16.233 -13.035 1.00 0.00 H ATOM 49 N ILE A 5 1.060 -17.089 -9.329 1.00 6.99 N ATOM 50 CA ILE A 5 0.106 -16.575 -8.390 1.00 7.74 C ATOM 51 C ILE A 5 0.675 -16.394 -6.966 1.00 6.69 C ATOM 52 O ILE A 5 1.265 -17.290 -6.425 1.00 7.26 O ATOM 53 CB ILE A 5 -1.109 -17.495 -8.309 1.00 8.52 C ATOM 54 CG1 ILE A 5 -1.780 -17.529 -9.690 1.00 8.57 C ATOM 55 CG2 ILE A 5 -2.028 -17.002 -7.167 1.00 9.03 C ATOM 56 CD1 ILE A 5 -2.725 -18.680 -9.927 1.00 9.63 C ATOM 57 H ILE A 5 1.329 -18.091 -9.260 1.00 0.00 H ATOM 58 N ALA A 6 0.486 -15.227 -6.388 1.00 6.54 N ATOM 59 CA ALA A 6 0.796 -14.969 -4.910 1.00 6.45 C ATOM 60 C ALA A 6 -0.388 -15.370 -4.087 1.00 7.24 C ATOM 61 O ALA A 6 -1.565 -15.064 -4.489 1.00 7.44 O ATOM 62 CB ALA A 6 1.000 -13.457 -4.685 1.00 7.02 C ATOM 63 H ALA A 6 0.109 -14.445 -6.960 1.00 0.00 H ATOM 64 N ILE A 7 -0.086 -16.110 -2.986 1.00 6.95 N ATOM 65 CA ILE A 7 -1.072 -16.453 -1.988 1.00 7.21 C ATOM 66 C ILE A 7 -0.838 -15.658 -0.705 1.00 7.11 C ATOM 67 O ILE A 7 0.295 -15.571 -0.226 1.00 6.83 O ATOM 68 CB ILE A 7 -1.190 -17.953 -1.757 1.00 7.91 C ATOM 69 CG1 ILE A 7 -1.314 -18.714 -3.069 1.00 7.89 C ATOM 70 CG2 ILE A 7 -2.342 -18.263 -0.761 1.00 8.75 C ATOM 71 CD1 ILE A 7 -1.127 -20.223 -2.866 1.00 8.49 C ATOM 72 H ILE A 7 0.892 -16.441 -2.858 1.00 0.00 H ATOM 73 N GLY A 8 -1.936 -15.173 -0.100 1.00 6.91 N ATOM 74 CA GLY A 8 -1.897 -14.550 1.254 1.00 7.21 C ATOM 75 C GLY A 8 -3.127 -14.928 2.043 1.00 6.82 C ATOM 76 O GLY A 8 -4.229 -15.068 1.534 1.00 8.11 O ATOM 77 H GLY A 8 -2.848 -15.235 -0.596 1.00 0.00 H ATOM 78 N SER A 9 -2.931 -15.082 3.320 1.00 6.94 N ATOM 79 CA SER A 9 -3.974 -15.206 4.273 1.00 7.02 C ATOM 80 C SER A 9 -3.525 -14.774 5.627 1.00 6.91 C ATOM 81 O SER A 9 -2.463 -15.150 6.077 1.00 7.01 O ATOM 82 CB SER A 9 -4.476 -16.651 4.262 1.00 6.61 C ATOM 83 OG SER A 9 -5.356 -16.970 5.347 1.00 7.75 O ATOM 84 HG SER A 9 -6.152 -16.383 5.308 1.00 0.00 H ATOM 85 H SER A 9 -1.950 -15.116 3.663 1.00 0.00 H ATOM 86 N ASN A 10 -4.323 -13.944 6.304 1.00 8.12 N ATOM 87 CA ASN A 10 -4.086 -13.669 7.698 1.00 8.73 C ATOM 88 C ASN A 10 -5.327 -13.822 8.634 1.00 9.78 C ATOM 89 O ASN A 10 -5.288 -13.318 9.750 1.00 11.02 O ATOM 90 CB ASN A 10 -3.447 -12.278 7.837 1.00 8.33 C ATOM 91 CG ASN A 10 -4.370 -11.126 7.587 1.00 8.01 C ATOM 92 OD1 ASN A 10 -5.421 -11.217 6.885 1.00 9.56 O ATOM 93 ND2 ASN A 10 -3.941 -9.957 8.114 1.00 8.41 N ATOM 94 HD22 ASN A 10 -3.072 -9.932 8.684 1.00 0.00 H ATOM 95 HD21 ASN A 10 -4.480 -9.083 7.949 1.00 0.00 H ATOM 96 H ASN A 10 -5.124 -13.491 5.819 1.00 0.00 H ATOM 97 N LEU A 11 -6.378 -14.478 8.199 1.00 8.53 N ATOM 98 CA LEU A 11 -7.520 -14.723 9.046 1.00 10.05 C ATOM 99 C LEU A 11 -7.942 -16.147 9.007 1.00 9.98 C ATOM 100 O LEU A 11 -7.666 -16.850 8.039 1.00 10.99 O ATOM 101 CB LEU A 11 -8.751 -13.952 8.531 1.00 10.46 C ATOM 102 CG LEU A 11 -8.605 -12.445 8.624 1.00 11.63 C ATOM 103 CD1 LEU A 11 -9.791 -11.812 8.018 1.00 11.79 C ATOM 104 CD2 LEU A 11 -8.429 -11.912 10.052 1.00 11.90 C ATOM 105 H LEU A 11 -6.387 -14.829 7.220 1.00 0.00 H ATOM 106 N ALA A 12 -8.689 -16.563 10.023 1.00 10.90 N ATOM 107 CA ALA A 12 -9.447 -17.827 9.977 1.00 11.59 C ATOM 108 C ALA A 12 -8.506 -19.044 9.751 1.00 11.38 C ATOM 109 O ALA A 12 -8.809 -19.910 8.962 1.00 9.98 O ATOM 110 CB ALA A 12 -10.491 -17.756 8.891 1.00 12.46 C ATOM 111 H ALA A 12 -8.741 -15.977 10.881 1.00 0.00 H ATOM 112 N SER A 13 -7.376 -19.088 10.490 1.00 12.42 N ATOM 113 CA SER A 13 -6.332 -20.150 10.364 1.00 11.86 C ATOM 114 C SER A 13 -5.685 -20.145 8.971 1.00 9.89 C ATOM 115 O SER A 13 -6.021 -20.974 8.054 1.00 10.31 O ATOM 116 CB SER A 13 -6.792 -21.566 10.757 1.00 13.09 C ATOM 117 OG SER A 13 -7.323 -21.618 12.077 1.00 15.18 O ATOM 118 HG SER A 13 -7.604 -22.545 12.282 1.00 0.00 H ATOM 119 H SER A 13 -7.223 -18.335 11.191 1.00 0.00 H ATOM 120 N PRO A 14 -4.685 -19.259 8.801 1.00 10.37 N ATOM 121 CA PRO A 14 -4.023 -19.125 7.502 1.00 8.93 C ATOM 122 C PRO A 14 -3.467 -20.419 6.933 1.00 9.74 C ATOM 123 O PRO A 14 -3.572 -20.620 5.711 1.00 9.87 O ATOM 124 CB PRO A 14 -2.924 -18.067 7.758 1.00 9.76 C ATOM 125 CG PRO A 14 -3.536 -17.216 8.801 1.00 9.83 C ATOM 126 CD PRO A 14 -4.306 -18.157 9.676 1.00 10.46 C ATOM 127 N LEU A 15 -2.975 -21.307 7.757 1.00 9.09 N ATOM 128 CA LEU A 15 -2.368 -22.579 7.240 1.00 10.18 C ATOM 129 C LEU A 15 -3.487 -23.408 6.600 1.00 10.97 C ATOM 130 O LEU A 15 -3.335 -23.946 5.534 1.00 10.66 O ATOM 131 CB LEU A 15 -1.636 -23.377 8.317 1.00 11.26 C ATOM 132 CG LEU A 15 -1.037 -24.661 7.766 1.00 11.64 C ATOM 133 CD1 LEU A 15 -0.082 -24.330 6.634 1.00 12.30 C ATOM 134 CD2 LEU A 15 -0.439 -25.400 8.955 1.00 13.67 C ATOM 135 H LEU A 15 -3.004 -21.130 8.781 1.00 0.00 H ATOM 136 N GLU A 16 -4.655 -23.396 7.222 1.00 10.66 N ATOM 137 CA GLU A 16 -5.800 -24.158 6.658 1.00 10.78 C ATOM 138 C GLU A 16 -6.366 -23.476 5.414 1.00 10.26 C ATOM 139 O GLU A 16 -6.771 -24.095 4.410 1.00 9.89 O ATOM 140 CB GLU A 16 -6.914 -24.277 7.699 1.00 13.58 C ATOM 141 CG GLU A 16 -6.588 -25.302 8.767 1.00 17.18 C ATOM 142 CD GLU A 16 -7.647 -25.294 9.799 1.00 21.79 C ATOM 143 OE1 GLU A 16 -8.817 -25.665 9.463 1.00 26.06 O ATOM 144 OE2 GLU A 16 -7.282 -24.838 10.922 1.00 20.92 O ATOM 145 H GLU A 16 -4.771 -22.855 8.103 1.00 0.00 H ATOM 146 N GLN A 17 -6.379 -22.143 5.419 1.00 9.46 N ATOM 147 CA GLN A 17 -6.858 -21.451 4.238 1.00 9.35 C ATOM 148 C GLN A 17 -5.977 -21.673 3.013 1.00 8.79 C ATOM 149 O GLN A 17 -6.468 -21.841 1.903 1.00 7.91 O ATOM 150 CB GLN A 17 -6.902 -19.940 4.539 1.00 9.72 C ATOM 151 CG GLN A 17 -7.910 -19.577 5.620 1.00 10.82 C ATOM 152 CD GLN A 17 -9.369 -19.804 5.229 1.00 11.88 C ATOM 153 OE1 GLN A 17 -9.759 -19.844 4.083 1.00 14.21 O ATOM 154 NE2 GLN A 17 -10.203 -19.898 6.238 1.00 13.94 N ATOM 155 HE22 GLN A 17 -9.845 -19.861 7.214 1.00 0.00 H ATOM 156 HE21 GLN A 17 -11.222 -20.009 6.062 1.00 0.00 H ATOM 157 H GLN A 17 -6.053 -21.611 6.251 1.00 0.00 H ATOM 158 N VAL A 18 -4.665 -21.600 3.209 1.00 8.82 N ATOM 159 CA VAL A 18 -3.697 -21.812 2.098 1.00 8.27 C ATOM 160 C VAL A 18 -3.719 -23.287 1.624 1.00 8.09 C ATOM 161 O VAL A 18 -3.737 -23.542 0.424 1.00 8.72 O ATOM 162 CB VAL A 18 -2.340 -21.277 2.510 1.00 9.02 C ATOM 163 CG1 VAL A 18 -1.217 -21.699 1.563 1.00 9.01 C ATOM 164 CG2 VAL A 18 -2.461 -19.733 2.566 1.00 8.60 C ATOM 165 H VAL A 18 -4.305 -21.390 4.162 1.00 0.00 H ATOM 166 N ASN A 19 -3.794 -24.245 2.526 1.00 8.13 N ATOM 167 CA ASN A 19 -3.834 -25.637 2.086 1.00 9.05 C ATOM 168 C ASN A 19 -5.117 -25.859 1.308 1.00 8.86 C ATOM 169 O ASN A 19 -5.086 -26.581 0.336 1.00 11.00 O ATOM 170 CB ASN A 19 -3.736 -26.605 3.231 1.00 9.25 C ATOM 171 CG ASN A 19 -2.283 -26.814 3.726 1.00 11.57 C ATOM 172 OD1 ASN A 19 -1.323 -26.629 2.971 1.00 14.30 O ATOM 173 ND2 ASN A 19 -2.129 -27.057 5.022 1.00 13.11 N ATOM 174 HD22 ASN A 19 -2.963 -27.208 5.625 1.00 0.00 H ATOM 175 HD21 ASN A 19 -1.175 -27.097 5.434 1.00 0.00 H ATOM 176 H ASN A 19 -3.824 -24.012 3.539 1.00 0.00 H ATOM 177 N ALA A 20 -6.236 -25.273 1.741 1.00 8.02 N ATOM 178 CA ALA A 20 -7.480 -25.420 0.962 1.00 8.09 C ATOM 179 C ALA A 20 -7.362 -24.745 -0.405 1.00 8.19 C ATOM 180 O ALA A 20 -7.884 -25.220 -1.442 1.00 9.19 O ATOM 181 CB ALA A 20 -8.693 -24.930 1.756 1.00 7.61 C ATOM 182 H ALA A 20 -6.231 -24.718 2.620 1.00 0.00 H ATOM 183 N ALA A 21 -6.712 -23.596 -0.425 1.00 8.59 N ATOM 184 CA ALA A 21 -6.562 -22.909 -1.717 1.00 9.05 C ATOM 185 C ALA A 21 -5.705 -23.652 -2.705 1.00 9.41 C ATOM 186 O ALA A 21 -5.984 -23.629 -3.882 1.00 9.33 O ATOM 187 CB ALA A 21 -6.116 -21.476 -1.497 1.00 9.29 C ATOM 188 H ALA A 21 -6.318 -23.189 0.447 1.00 0.00 H ATOM 189 N LEU A 22 -4.756 -24.395 -2.200 1.00 10.11 N ATOM 190 CA LEU A 22 -3.926 -25.179 -3.089 1.00 10.16 C ATOM 191 C LEU A 22 -4.666 -26.360 -3.696 1.00 10.45 C ATOM 192 O LEU A 22 -4.543 -26.691 -4.883 1.00 9.22 O ATOM 193 CB LEU A 22 -2.668 -25.601 -2.333 1.00 11.00 C ATOM 194 CG LEU A 22 -1.681 -24.503 -1.986 1.00 12.74 C ATOM 195 CD1 LEU A 22 -0.726 -25.138 -0.999 1.00 12.28 C ATOM 196 CD2 LEU A 22 -0.922 -24.011 -3.185 1.00 13.58 C ATOM 197 H LEU A 22 -4.599 -24.422 -1.172 1.00 0.00 H ATOM 198 N LYS A 23 -5.531 -26.957 -2.929 1.00 9.22 N ATOM 199 CA LYS A 23 -6.434 -27.972 -3.490 1.00 9.49 C ATOM 200 C LYS A 23 -7.389 -27.405 -4.540 1.00 9.50 C ATOM 201 O LYS A 23 -7.569 -27.973 -5.568 1.00 11.62 O ATOM 202 CB LYS A 23 -7.135 -28.651 -2.339 1.00 9.04 C ATOM 203 CG LYS A 23 -6.188 -29.431 -1.419 1.00 10.66 C ATOM 204 CD LYS A 23 -6.972 -30.182 -0.353 1.00 10.46 C ATOM 205 CE LYS A 23 -6.069 -30.856 0.642 1.00 10.30 C ATOM 206 NZ LYS A 23 -5.335 -29.899 1.539 1.00 11.50 N ATOM 207 HZ1 LYS A 23 -4.743 -29.269 0.961 1.00 0.00 H ATOM 208 HZ2 LYS A 23 -6.022 -29.334 2.078 1.00 0.00 H ATOM 209 HZ3 LYS A 23 -4.733 -30.435 2.197 1.00 0.00 H ATOM 210 H LYS A 23 -5.583 -26.716 -1.919 1.00 0.00 H ATOM 211 N ALA A 24 -7.913 -26.233 -4.270 1.00 8.79 N ATOM 212 CA ALA A 24 -8.810 -25.534 -5.189 1.00 8.93 C ATOM 213 C ALA A 24 -8.114 -25.032 -6.448 1.00 8.74 C ATOM 214 O ALA A 24 -8.654 -25.122 -7.569 1.00 8.45 O ATOM 215 CB ALA A 24 -9.551 -24.390 -4.476 1.00 9.78 C ATOM 216 H ALA A 24 -7.680 -25.781 -3.363 1.00 0.00 H ATOM 217 N LEU A 25 -6.882 -24.536 -6.337 1.00 8.57 N ATOM 218 CA LEU A 25 -6.123 -24.227 -7.503 1.00 8.37 C ATOM 219 C LEU A 25 -5.831 -25.399 -8.386 1.00 8.89 C ATOM 220 O LEU A 25 -5.814 -25.233 -9.624 1.00 11.12 O ATOM 221 CB LEU A 25 -4.801 -23.486 -7.180 1.00 8.94 C ATOM 222 CG LEU A 25 -4.822 -22.137 -6.489 1.00 9.76 C ATOM 223 CD1 LEU A 25 -3.502 -21.901 -5.768 1.00 10.38 C ATOM 224 CD2 LEU A 25 -5.110 -21.058 -7.471 1.00 9.98 C ATOM 225 H LEU A 25 -6.472 -24.374 -5.395 1.00 0.00 H ATOM 226 N GLY A 26 -5.682 -26.586 -7.830 1.00 9.37 N ATOM 227 CA GLY A 26 -5.525 -27.758 -8.663 1.00 9.45 C ATOM 228 C GLY A 26 -6.793 -28.125 -9.442 1.00 10.90 C ATOM 229 O GLY A 26 -6.691 -28.776 -10.475 1.00 13.85 O ATOM 230 H GLY A 26 -5.677 -26.679 -6.794 1.00 0.00 H ATOM 231 N ASP A 27 -7.949 -27.666 -9.026 1.00 10.29 N ATOM 232 CA ASP A 27 -9.217 -27.929 -9.741 1.00 12.18 C ATOM 233 C ASP A 27 -9.561 -26.885 -10.805 1.00 12.82 C ATOM 234 O ASP A 27 -10.655 -26.939 -11.401 1.00 14.87 O ATOM 235 CB ASP A 27 -10.376 -28.027 -8.739 1.00 14.19 C ATOM 236 CG ASP A 27 -10.359 -29.302 -7.954 1.00 19.23 C ATOM 237 OD1 ASP A 27 -9.548 -30.254 -8.219 1.00 27.49 O ATOM 238 OD2 ASP A 27 -11.192 -29.389 -7.038 1.00 22.14 O ATOM 239 H ASP A 27 -7.975 -27.094 -8.158 1.00 0.00 H ATOM 240 N ILE A 28 -8.680 -25.903 -11.032 1.00 11.91 N ATOM 241 CA ILE A 28 -8.943 -24.944 -12.101 1.00 12.26 C ATOM 242 C ILE A 28 -8.828 -25.663 -13.423 1.00 12.14 C ATOM 243 O ILE A 28 -7.820 -26.383 -13.653 1.00 13.02 O ATOM 244 CB ILE A 28 -8.019 -23.693 -12.018 1.00 11.63 C ATOM 245 CG1 ILE A 28 -8.346 -22.913 -10.766 1.00 11.38 C ATOM 246 CG2 ILE A 28 -8.212 -22.789 -13.211 1.00 12.42 C ATOM 247 CD1 ILE A 28 -7.365 -21.809 -10.549 1.00 11.25 C ATOM 248 H ILE A 28 -7.819 -25.824 -10.454 1.00 0.00 H ATOM 249 N PRO A 29 -9.811 -25.467 -14.304 1.00 12.10 N ATOM 250 CA PRO A 29 -9.729 -26.129 -15.594 1.00 12.43 C ATOM 251 C PRO A 29 -8.610 -25.672 -16.466 1.00 11.94 C ATOM 252 O PRO A 29 -8.126 -24.526 -16.326 1.00 11.30 O ATOM 253 CB PRO A 29 -11.076 -25.816 -16.225 1.00 13.42 C ATOM 254 CG PRO A 29 -11.419 -24.498 -15.648 1.00 13.75 C ATOM 255 CD PRO A 29 -11.030 -24.624 -14.229 1.00 13.51 C ATOM 256 N GLU A 30 -8.208 -26.549 -17.372 1.00 12.99 N ATOM 257 CA GLU A 30 -7.194 -26.253 -18.396 1.00 14.37 C ATOM 258 C GLU A 30 -5.859 -25.811 -17.746 1.00 13.52 C ATOM 259 O GLU A 30 -5.077 -25.048 -18.327 1.00 14.29 O ATOM 260 CB GLU A 30 -7.668 -25.181 -19.408 1.00 15.83 C ATOM 261 CG GLU A 30 -9.012 -25.435 -20.167 1.00 19.88 C ATOM 262 CD GLU A 30 -9.148 -24.589 -21.454 1.00 22.26 C ATOM 263 OE1 GLU A 30 -8.134 -24.251 -22.113 1.00 23.62 O ATOM 264 OE2 GLU A 30 -10.297 -24.283 -21.799 1.00 23.60 O ATOM 265 H GLU A 30 -8.632 -27.499 -17.359 1.00 0.00 H ATOM 266 N SER A 31 -5.610 -26.300 -16.535 1.00 11.36 N ATOM 267 CA SER A 31 -4.486 -25.796 -15.708 1.00 11.48 C ATOM 268 C SER A 31 -3.899 -26.886 -14.832 1.00 11.64 C ATOM 269 O SER A 31 -4.632 -27.746 -14.338 1.00 12.53 O ATOM 270 CB SER A 31 -4.956 -24.657 -14.821 1.00 11.72 C ATOM 271 OG SER A 31 -5.624 -23.676 -15.538 1.00 11.04 O ATOM 272 HG SER A 31 -6.418 -24.073 -15.977 1.00 0.00 H ATOM 273 H SER A 31 -6.218 -27.055 -16.158 1.00 0.00 H ATOM 274 N HIS A 32 -2.615 -26.775 -14.526 1.00 11.50 N ATOM 275 CA HIS A 32 -1.896 -27.751 -13.678 1.00 11.73 C ATOM 276 C HIS A 32 -0.953 -26.908 -12.777 1.00 10.41 C ATOM 277 O HIS A 32 -0.168 -26.106 -13.289 1.00 10.96 O ATOM 278 CB HIS A 32 -1.017 -28.764 -14.496 1.00 14.83 C ATOM 279 CG HIS A 32 -1.803 -29.693 -15.352 1.00 19.42 C ATOM 280 ND1 HIS A 32 -2.067 -29.446 -16.683 1.00 22.20 N ATOM 281 CD2 HIS A 32 -2.415 -30.865 -15.055 1.00 22.34 C ATOM 282 CE1 HIS A 32 -2.776 -30.451 -17.178 1.00 22.95 C ATOM 283 NE2 HIS A 32 -3.005 -31.317 -16.207 1.00 23.41 N ATOM 284 H HIS A 32 -2.086 -25.962 -14.900 1.00 0.00 H ATOM 285 N ILE A 33 -0.932 -27.162 -11.471 1.00 8.63 N ATOM 286 CA ILE A 33 0.117 -26.656 -10.640 1.00 7.26 C ATOM 287 C ILE A 33 1.431 -27.284 -11.011 1.00 7.04 C ATOM 288 O ILE A 33 1.546 -28.521 -11.017 1.00 7.04 O ATOM 289 CB ILE A 33 -0.206 -26.922 -9.158 1.00 7.62 C ATOM 290 CG1 ILE A 33 -1.520 -26.177 -8.745 1.00 7.52 C ATOM 291 CG2 ILE A 33 0.893 -26.418 -8.272 1.00 6.92 C ATOM 292 CD1 ILE A 33 -2.061 -26.525 -7.425 1.00 8.66 C ATOM 293 H ILE A 33 -1.689 -27.737 -11.048 1.00 0.00 H ATOM 294 N LEU A 34 2.472 -26.484 -11.172 1.00 7.61 N ATOM 295 CA LEU A 34 3.857 -26.985 -11.349 1.00 8.16 C ATOM 296 C LEU A 34 4.702 -26.998 -10.129 1.00 8.38 C ATOM 297 O LEU A 34 5.512 -27.918 -9.914 1.00 7.83 O ATOM 298 CB LEU A 34 4.581 -26.129 -12.415 1.00 9.30 C ATOM 299 CG LEU A 34 3.964 -26.021 -13.800 1.00 9.60 C ATOM 300 CD1 LEU A 34 4.844 -25.153 -14.733 1.00 9.85 C ATOM 301 CD2 LEU A 34 3.644 -27.393 -14.416 1.00 10.41 C ATOM 302 H LEU A 34 2.312 -25.456 -11.175 1.00 0.00 H ATOM 303 N THR A 35 4.539 -25.953 -9.312 1.00 7.79 N ATOM 304 CA THR A 35 5.435 -25.742 -8.174 1.00 7.65 C ATOM 305 C THR A 35 4.763 -24.952 -7.112 1.00 7.74 C ATOM 306 O THR A 35 4.106 -23.942 -7.423 1.00 8.30 O ATOM 307 CB THR A 35 6.670 -24.917 -8.662 1.00 9.07 C ATOM 308 OG1 THR A 35 7.092 -25.293 -9.980 1.00 12.44 O ATOM 309 CG2 THR A 35 7.856 -25.124 -7.728 1.00 9.76 C ATOM 310 HG1 THR A 35 7.873 -24.745 -10.244 1.00 0.00 H ATOM 311 H THR A 35 3.765 -25.281 -9.487 1.00 0.00 H ATOM 312 N VAL A 36 5.009 -25.280 -5.864 1.00 8.76 N ATOM 313 CA VAL A 36 4.506 -24.533 -4.703 1.00 8.53 C ATOM 314 C VAL A 36 5.685 -24.099 -3.866 1.00 8.02 C ATOM 315 O VAL A 36 6.549 -24.947 -3.599 1.00 9.20 O ATOM 316 CB VAL A 36 3.564 -25.443 -3.807 1.00 9.11 C ATOM 317 CG1 VAL A 36 2.931 -24.582 -2.751 1.00 10.04 C ATOM 318 CG2 VAL A 36 2.445 -26.123 -4.591 1.00 10.08 C ATOM 319 H VAL A 36 5.596 -26.120 -5.687 1.00 0.00 H ATOM 320 N SER A 37 5.701 -22.827 -3.406 1.00 7.05 N ATOM 321 CA SER A 37 6.779 -22.370 -2.568 1.00 7.55 C ATOM 322 C SER A 37 6.605 -22.913 -1.142 1.00 7.04 C ATOM 323 O SER A 37 5.578 -23.490 -0.784 1.00 7.74 O ATOM 324 CB SER A 37 6.780 -20.861 -2.580 1.00 7.32 C ATOM 325 OG SER A 37 5.699 -20.370 -1.817 1.00 7.27 O ATOM 326 HG SER A 37 5.784 -20.688 -0.883 1.00 0.00 H ATOM 327 H SER A 37 4.931 -22.176 -3.659 1.00 0.00 H ATOM 328 N SER A 38 7.611 -22.659 -0.301 1.00 7.72 N ATOM 329 CA SER A 38 7.448 -22.730 1.145 1.00 7.72 C ATOM 330 C SER A 38 6.372 -21.737 1.620 1.00 7.31 C ATOM 331 O SER A 38 6.037 -20.740 0.892 1.00 7.32 O ATOM 332 CB SER A 38 8.777 -22.450 1.886 1.00 8.07 C ATOM 333 OG SER A 38 9.747 -23.465 1.503 1.00 10.16 O ATOM 334 HG SER A 38 9.893 -23.428 0.524 1.00 0.00 H ATOM 335 H SER A 38 8.540 -22.402 -0.691 1.00 0.00 H ATOM 336 N PHE A 39 5.839 -21.976 2.793 1.00 7.81 N ATOM 337 CA PHE A 39 4.952 -20.967 3.395 1.00 8.74 C ATOM 338 C PHE A 39 5.741 -20.052 4.305 1.00 9.60 C ATOM 339 O PHE A 39 6.617 -20.490 5.081 1.00 10.62 O ATOM 340 CB PHE A 39 3.916 -21.665 4.211 1.00 8.93 C ATOM 341 CG PHE A 39 2.963 -22.556 3.396 1.00 9.11 C ATOM 342 CD1 PHE A 39 2.886 -22.491 2.042 1.00 10.41 C ATOM 343 CD2 PHE A 39 2.226 -23.527 4.033 1.00 10.07 C ATOM 344 CE1 PHE A 39 2.004 -23.291 1.307 1.00 10.01 C ATOM 345 CE2 PHE A 39 1.351 -24.307 3.347 1.00 11.05 C ATOM 346 CZ PHE A 39 1.245 -24.212 1.993 1.00 10.09 C ATOM 347 H PHE A 39 6.040 -22.866 3.292 1.00 0.00 H ATOM 348 N TYR A 40 5.408 -18.754 4.215 1.00 10.47 N ATOM 349 CA TYR A 40 6.162 -17.712 4.959 1.00 10.26 C ATOM 350 C TYR A 40 5.291 -16.883 5.854 1.00 9.59 C ATOM 351 O TYR A 40 4.168 -16.586 5.460 1.00 9.51 O ATOM 352 CB TYR A 40 6.960 -16.735 4.045 1.00 10.60 C ATOM 353 CG TYR A 40 7.999 -17.407 3.171 1.00 10.68 C ATOM 354 CD1 TYR A 40 7.649 -18.074 1.987 1.00 10.44 C ATOM 355 CD2 TYR A 40 9.352 -17.370 3.551 1.00 13.82 C ATOM 356 CE1 TYR A 40 8.608 -18.678 1.224 1.00 10.75 C ATOM 357 CE2 TYR A 40 10.319 -17.997 2.789 1.00 14.14 C ATOM 358 CZ TYR A 40 9.926 -18.627 1.655 1.00 12.59 C ATOM 359 OH TYR A 40 10.902 -19.236 0.914 1.00 15.51 O ATOM 360 HH TYR A 40 10.494 -19.658 0.117 1.00 0.00 H ATOM 361 H TYR A 40 4.608 -18.473 3.613 1.00 0.00 H ATOM 362 N ARG A 41 5.783 -16.602 7.086 1.00 10.45 N ATOM 363 CA ARG A 41 5.035 -15.797 8.020 1.00 11.42 C ATOM 364 C ARG A 41 5.605 -14.384 7.992 1.00 11.55 C ATOM 365 O ARG A 41 6.752 -14.143 8.262 1.00 13.26 O ATOM 366 CB ARG A 41 5.070 -16.480 9.403 1.00 11.91 C ATOM 367 CG ARG A 41 4.328 -15.807 10.570 1.00 14.50 C ATOM 368 CD ARG A 41 4.757 -16.437 11.937 1.00 16.09 C ATOM 369 NE ARG A 41 4.767 -17.917 11.972 1.00 17.97 N ATOM 370 CZ ARG A 41 3.663 -18.698 12.119 1.00 21.02 C ATOM 371 NH1 ARG A 41 2.448 -18.195 12.281 1.00 24.38 N ATOM 372 NH2 ARG A 41 3.796 -20.031 12.127 1.00 23.41 N ATOM 373 HE ARG A 41 5.686 -18.395 11.877 1.00 0.00 H ATOM 374 HH12 ARG A 41 1.632 -18.831 12.390 1.00 0.00 H ATOM 375 HH11 ARG A 41 2.310 -17.164 12.300 1.00 0.00 H ATOM 376 HH22 ARG A 41 2.958 -20.637 12.239 1.00 0.00 H ATOM 377 HH21 ARG A 41 4.737 -20.460 12.021 1.00 0.00 H ATOM 378 H ARG A 41 6.715 -16.973 7.362 1.00 0.00 H ATOM 379 N THR A 42 4.812 -13.434 7.517 1.00 10.15 N ATOM 380 CA THR A 42 5.307 -12.147 7.204 1.00 10.73 C ATOM 381 C THR A 42 4.554 -11.049 7.966 1.00 9.98 C ATOM 382 O THR A 42 3.355 -11.138 8.109 1.00 10.70 O ATOM 383 CB THR A 42 5.158 -11.865 5.674 1.00 10.71 C ATOM 384 OG1 THR A 42 3.782 -11.898 5.269 1.00 10.78 O ATOM 385 CG2 THR A 42 5.959 -12.833 4.810 1.00 11.19 C ATOM 386 HG1 THR A 42 3.721 -11.716 4.298 1.00 0.00 H ATOM 387 H THR A 42 3.803 -13.640 7.371 1.00 0.00 H ATOM 388 N PRO A 43 5.259 -10.018 8.428 1.00 10.63 N ATOM 389 CA PRO A 43 4.592 -8.891 9.133 1.00 10.03 C ATOM 390 C PRO A 43 3.766 -8.087 8.129 1.00 9.42 C ATOM 391 O PRO A 43 4.136 -7.973 6.999 1.00 9.55 O ATOM 392 CB PRO A 43 5.744 -8.018 9.660 1.00 11.18 C ATOM 393 CG PRO A 43 6.903 -8.430 8.820 1.00 11.85 C ATOM 394 CD PRO A 43 6.691 -9.791 8.229 1.00 10.58 C ATOM 395 N PRO A 44 2.593 -7.608 8.529 1.00 10.25 N ATOM 396 CA PRO A 44 1.718 -6.897 7.552 1.00 9.83 C ATOM 397 C PRO A 44 2.302 -5.569 7.071 1.00 9.97 C ATOM 398 O PRO A 44 2.819 -4.821 7.903 1.00 10.53 O ATOM 399 CB PRO A 44 0.438 -6.642 8.342 1.00 9.83 C ATOM 400 CG PRO A 44 0.911 -6.644 9.788 1.00 9.91 C ATOM 401 CD PRO A 44 2.071 -7.588 9.891 1.00 10.60 C ATOM 402 N LEU A 45 2.300 -5.377 5.758 1.00 10.59 N ATOM 403 CA LEU A 45 2.612 -4.103 5.116 1.00 10.05 C ATOM 404 C LEU A 45 1.308 -3.398 4.803 1.00 11.16 C ATOM 405 O LEU A 45 0.227 -4.042 4.705 1.00 10.97 O ATOM 406 CB LEU A 45 3.422 -4.380 3.873 1.00 13.33 C ATOM 407 CG LEU A 45 4.737 -5.133 3.958 1.00 15.87 C ATOM 408 CD1 LEU A 45 5.464 -4.831 2.640 1.00 17.22 C ATOM 409 CD2 LEU A 45 5.468 -4.642 5.202 1.00 17.07 C ATOM 410 H LEU A 45 2.061 -6.185 5.148 1.00 0.00 H ATOM 411 N GLY A 46 1.323 -2.052 4.815 1.00 11.03 N ATOM 412 CA GLY A 46 0.087 -1.279 4.712 1.00 11.40 C ATOM 413 C GLY A 46 -0.420 -1.098 6.133 1.00 11.05 C ATOM 414 O GLY A 46 0.413 -0.955 7.056 1.00 10.76 O ATOM 415 H GLY A 46 2.231 -1.553 4.899 1.00 0.00 H ATOM 416 N PRO A 47 -1.732 -1.225 6.373 1.00 10.32 N ATOM 417 CA PRO A 47 -2.209 -1.241 7.756 1.00 10.82 C ATOM 418 C PRO A 47 -1.502 -2.351 8.580 1.00 9.67 C ATOM 419 O PRO A 47 -1.336 -3.466 8.052 1.00 9.64 O ATOM 420 CB PRO A 47 -3.700 -1.513 7.639 1.00 12.22 C ATOM 421 CG PRO A 47 -4.037 -1.205 6.222 1.00 12.02 C ATOM 422 CD PRO A 47 -2.822 -1.541 5.417 1.00 11.72 C ATOM 423 N GLN A 48 -0.952 -2.018 9.763 1.00 8.59 N ATOM 424 CA GLN A 48 -0.236 -2.956 10.594 1.00 9.84 C ATOM 425 C GLN A 48 -1.078 -3.480 11.734 1.00 9.43 C ATOM 426 O GLN A 48 -0.631 -4.435 12.432 1.00 10.06 O ATOM 427 CB GLN A 48 1.082 -2.339 11.085 1.00 9.13 C ATOM 428 CG GLN A 48 1.958 -1.971 9.902 1.00 8.00 C ATOM 429 CD GLN A 48 3.185 -1.199 10.282 1.00 9.46 C ATOM 430 OE1 GLN A 48 3.068 -0.119 10.758 1.00 9.18 O ATOM 431 NE2 GLN A 48 4.364 -1.861 10.260 1.00 9.64 N ATOM 432 HE22 GLN A 48 4.421 -2.807 9.832 1.00 0.00 H ATOM 433 HE21 GLN A 48 5.213 -1.424 10.671 1.00 0.00 H ATOM 434 H GLN A 48 -1.048 -1.037 10.094 1.00 0.00 H ATOM 435 N ASP A 49 -2.290 -2.966 11.931 1.00 10.04 N ATOM 436 CA ASP A 49 -3.143 -3.424 13.032 1.00 10.05 C ATOM 437 C ASP A 49 -3.960 -4.627 12.511 1.00 8.86 C ATOM 438 O ASP A 49 -5.241 -4.640 12.471 1.00 9.95 O ATOM 439 CB ASP A 49 -4.085 -2.321 13.533 1.00 10.34 C ATOM 440 CG ASP A 49 -4.970 -1.737 12.435 1.00 11.49 C ATOM 441 OD1 ASP A 49 -4.595 -1.799 11.227 1.00 11.52 O ATOM 442 OD2 ASP A 49 -6.063 -1.166 12.796 1.00 13.59 O ATOM 443 H ASP A 49 -2.639 -2.224 11.291 1.00 0.00 H ATOM 444 N GLN A 50 -3.232 -5.682 12.129 1.00 8.37 N ATOM 445 CA GLN A 50 -3.884 -6.928 11.703 1.00 8.39 C ATOM 446 C GLN A 50 -2.866 -8.040 11.940 1.00 7.46 C ATOM 447 O GLN A 50 -1.647 -7.728 12.074 1.00 8.66 O ATOM 448 CB GLN A 50 -4.299 -6.878 10.189 1.00 8.82 C ATOM 449 CG GLN A 50 -3.182 -6.590 9.189 1.00 10.23 C ATOM 450 CD GLN A 50 -3.684 -6.484 7.762 1.00 10.06 C ATOM 451 OE1 GLN A 50 -4.516 -7.236 7.282 1.00 11.06 O ATOM 452 NE2 GLN A 50 -3.135 -5.495 7.057 1.00 11.84 N ATOM 453 HE22 GLN A 50 -2.428 -4.872 7.498 1.00 0.00 H ATOM 454 HE21 GLN A 50 -3.413 -5.346 6.066 1.00 0.00 H ATOM 455 H GLN A 50 -2.194 -5.620 12.134 1.00 0.00 H ATOM 456 N PRO A 51 -3.332 -9.321 11.922 1.00 8.16 N ATOM 457 CA PRO A 51 -2.409 -10.445 12.119 1.00 8.29 C ATOM 458 C PRO A 51 -1.366 -10.564 11.063 1.00 8.99 C ATOM 459 O PRO A 51 -1.541 -10.091 9.884 1.00 7.95 O ATOM 460 CB PRO A 51 -3.322 -11.637 12.103 1.00 8.37 C ATOM 461 CG PRO A 51 -4.677 -11.068 12.476 1.00 8.51 C ATOM 462 CD PRO A 51 -4.729 -9.786 11.796 1.00 8.09 C ATOM 463 N ASP A 52 -0.289 -11.256 11.387 1.00 9.21 N ATOM 464 CA ASP A 52 0.700 -11.603 10.373 1.00 9.91 C ATOM 465 C ASP A 52 0.121 -12.469 9.239 1.00 9.14 C ATOM 466 O ASP A 52 -0.775 -13.260 9.466 1.00 8.07 O ATOM 467 CB ASP A 52 1.859 -12.388 10.991 1.00 10.71 C ATOM 468 CG ASP A 52 2.725 -11.558 11.881 1.00 11.42 C ATOM 469 OD1 ASP A 52 2.695 -10.342 11.840 1.00 12.07 O ATOM 470 OD2 ASP A 52 3.444 -12.190 12.647 1.00 16.32 O ATOM 471 H ASP A 52 -0.145 -11.556 12.372 1.00 0.00 H ATOM 472 N TYR A 53 0.705 -12.342 8.045 1.00 8.58 N ATOM 473 CA TYR A 53 0.249 -13.099 6.882 1.00 8.24 C ATOM 474 C TYR A 53 1.014 -14.400 6.703 1.00 7.87 C ATOM 475 O TYR A 53 2.156 -14.499 7.066 1.00 9.30 O ATOM 476 CB TYR A 53 0.423 -12.262 5.609 1.00 8.29 C ATOM 477 CG TYR A 53 -0.683 -11.274 5.378 1.00 9.67 C ATOM 478 CD1 TYR A 53 -0.699 -10.071 6.020 1.00 10.00 C ATOM 479 CD2 TYR A 53 -1.746 -11.596 4.587 1.00 10.67 C ATOM 480 CE1 TYR A 53 -1.737 -9.171 5.806 1.00 11.87 C ATOM 481 CE2 TYR A 53 -2.768 -10.709 4.387 1.00 12.01 C ATOM 482 CZ TYR A 53 -2.753 -9.511 5.022 1.00 12.16 C ATOM 483 OH TYR A 53 -3.803 -8.658 4.817 1.00 14.60 O ATOM 484 HH TYR A 53 -3.660 -7.829 5.339 1.00 0.00 H ATOM 485 H TYR A 53 1.506 -11.687 7.940 1.00 0.00 H ATOM 486 N LEU A 54 0.344 -15.385 6.129 1.00 6.60 N ATOM 487 CA LEU A 54 1.010 -16.538 5.521 1.00 6.52 C ATOM 488 C LEU A 54 1.037 -16.135 4.066 1.00 6.17 C ATOM 489 O LEU A 54 -0.056 -15.875 3.448 1.00 6.76 O ATOM 490 CB LEU A 54 0.249 -17.848 5.702 1.00 6.93 C ATOM 491 CG LEU A 54 0.998 -19.150 5.316 1.00 7.88 C ATOM 492 CD1 LEU A 54 0.195 -20.356 5.806 1.00 8.25 C ATOM 493 CD2 LEU A 54 1.338 -19.349 3.847 1.00 8.98 C ATOM 494 H LEU A 54 -0.695 -15.339 6.109 1.00 0.00 H ATOM 495 N ASN A 55 2.259 -16.022 3.534 1.00 6.14 N ATOM 496 CA ASN A 55 2.468 -15.802 2.127 1.00 6.80 C ATOM 497 C ASN A 55 3.186 -16.962 1.414 1.00 6.94 C ATOM 498 O ASN A 55 4.094 -17.565 1.973 1.00 7.55 O ATOM 499 CB ASN A 55 3.248 -14.529 1.813 1.00 6.83 C ATOM 500 CG ASN A 55 2.451 -13.249 2.042 1.00 7.16 C ATOM 501 OD1 ASN A 55 2.763 -12.419 2.925 1.00 8.11 O ATOM 502 ND2 ASN A 55 1.416 -13.056 1.262 1.00 7.37 N ATOM 503 HD22 ASN A 55 1.175 -13.759 0.535 1.00 0.00 H ATOM 504 HD21 ASN A 55 0.836 -12.200 1.370 1.00 0.00 H ATOM 505 H ASN A 55 3.087 -16.096 4.159 1.00 0.00 H ATOM 506 N ALA A 56 2.750 -17.199 0.148 1.00 6.61 N ATOM 507 CA ALA A 56 3.341 -18.204 -0.679 1.00 6.58 C ATOM 508 C ALA A 56 3.203 -17.799 -2.113 1.00 7.01 C ATOM 509 O ALA A 56 2.533 -16.756 -2.465 1.00 6.84 O ATOM 510 CB ALA A 56 2.618 -19.525 -0.456 1.00 7.18 C ATOM 511 H ALA A 56 1.964 -16.633 -0.230 1.00 0.00 H ATOM 512 N ALA A 57 3.786 -18.621 -2.963 1.00 6.49 N ATOM 513 CA ALA A 57 3.581 -18.445 -4.393 1.00 7.14 C ATOM 514 C ALA A 57 3.437 -19.826 -5.041 1.00 7.17 C ATOM 515 O ALA A 57 4.003 -20.830 -4.612 1.00 7.69 O ATOM 516 CB ALA A 57 4.748 -17.683 -4.949 1.00 7.54 C ATOM 517 H ALA A 57 4.390 -19.392 -2.613 1.00 0.00 H ATOM 518 N VAL A 58 2.752 -19.831 -6.162 1.00 7.77 N ATOM 519 CA VAL A 58 2.472 -21.017 -6.964 1.00 7.59 C ATOM 520 C VAL A 58 2.719 -20.731 -8.454 1.00 7.81 C ATOM 521 O VAL A 58 2.366 -19.653 -8.985 1.00 8.32 O ATOM 522 CB VAL A 58 1.011 -21.536 -6.719 1.00 8.16 C ATOM 523 CG1 VAL A 58 0.670 -22.820 -7.496 1.00 7.58 C ATOM 524 CG2 VAL A 58 0.823 -21.816 -5.276 1.00 8.60 C ATOM 525 H VAL A 58 2.382 -18.921 -6.503 1.00 0.00 H ATOM 526 N ALA A 59 3.323 -21.710 -9.138 1.00 7.16 N ATOM 527 CA ALA A 59 3.450 -21.720 -10.569 1.00 7.45 C ATOM 528 C ALA A 59 2.335 -22.551 -11.109 1.00 7.41 C ATOM 529 O ALA A 59 2.212 -23.739 -10.750 1.00 7.68 O ATOM 530 CB ALA A 59 4.779 -22.327 -10.959 1.00 8.23 C ATOM 531 H ALA A 59 3.723 -22.508 -8.604 1.00 0.00 H ATOM 532 N LEU A 60 1.550 -21.978 -12.028 1.00 8.50 N ATOM 533 CA LEU A 60 0.367 -22.658 -12.535 1.00 8.36 C ATOM 534 C LEU A 60 0.464 -22.677 -14.066 1.00 10.07 C ATOM 535 O LEU A 60 0.407 -21.615 -14.705 1.00 9.04 O ATOM 536 CB LEU A 60 -0.929 -21.922 -12.123 1.00 8.51 C ATOM 537 CG LEU A 60 -2.223 -22.650 -12.513 1.00 8.54 C ATOM 538 CD1 LEU A 60 -2.510 -23.728 -11.559 1.00 9.23 C ATOM 539 CD2 LEU A 60 -3.453 -21.746 -12.550 1.00 9.92 C ATOM 540 H LEU A 60 1.789 -21.031 -12.386 1.00 0.00 H ATOM 541 N GLU A 61 0.595 -23.862 -14.671 1.00 10.80 N ATOM 542 CA GLU A 61 0.635 -23.983 -16.142 1.00 11.03 C ATOM 543 C GLU A 61 -0.800 -23.954 -16.621 1.00 9.86 C ATOM 544 O GLU A 61 -1.631 -24.654 -16.086 1.00 10.72 O ATOM 545 CB GLU A 61 1.356 -25.222 -16.545 1.00 11.44 C ATOM 546 CG GLU A 61 1.518 -25.397 -18.071 1.00 13.60 C ATOM 547 CD GLU A 61 2.379 -26.632 -18.390 1.00 16.91 C ATOM 548 OE1 GLU A 61 1.962 -27.730 -18.079 1.00 19.33 O ATOM 549 OE2 GLU A 61 3.446 -26.485 -18.961 1.00 21.69 O ATOM 550 H GLU A 61 0.671 -24.721 -14.090 1.00 0.00 H ATOM 551 N THR A 62 -1.134 -23.077 -17.568 1.00 9.86 N ATOM 552 CA THR A 62 -2.541 -22.933 -17.947 1.00 10.31 C ATOM 553 C THR A 62 -2.741 -22.625 -19.457 1.00 11.18 C ATOM 554 O THR A 62 -1.876 -21.988 -20.099 1.00 11.91 O ATOM 555 CB THR A 62 -3.218 -21.853 -17.084 1.00 11.01 C ATOM 556 OG1 THR A 62 -4.653 -21.850 -17.317 1.00 10.97 O ATOM 557 CG2 THR A 62 -2.633 -20.457 -17.324 1.00 12.24 C ATOM 558 HG1 THR A 62 -5.026 -22.736 -17.080 1.00 0.00 H ATOM 559 H THR A 62 -0.403 -22.501 -18.033 1.00 0.00 H ATOM 560 N SER A 63 -3.838 -23.063 -20.043 1.00 12.35 N ATOM 561 CA SER A 63 -4.196 -22.586 -21.375 1.00 13.23 C ATOM 562 C SER A 63 -5.414 -21.691 -21.300 1.00 12.63 C ATOM 563 O SER A 63 -5.966 -21.283 -22.327 1.00 14.63 O ATOM 564 CB SER A 63 -4.355 -23.759 -22.338 1.00 14.62 C ATOM 565 OG SER A 63 -5.462 -24.549 -22.010 1.00 16.67 O ATOM 566 HG SER A 63 -6.283 -23.997 -22.050 1.00 0.00 H ATOM 567 H SER A 63 -4.449 -23.749 -19.555 1.00 0.00 H ATOM 568 N LEU A 64 -5.806 -21.299 -20.090 1.00 11.66 N ATOM 569 CA LEU A 64 -6.818 -20.328 -19.917 1.00 10.90 C ATOM 570 C LEU A 64 -6.397 -18.966 -20.384 1.00 10.04 C ATOM 571 O LEU A 64 -5.243 -18.602 -20.410 1.00 9.61 O ATOM 572 CB LEU A 64 -7.254 -20.249 -18.460 1.00 11.25 C ATOM 573 CG LEU A 64 -7.860 -21.472 -17.737 1.00 11.32 C ATOM 574 CD1 LEU A 64 -8.230 -21.099 -16.322 1.00 11.30 C ATOM 575 CD2 LEU A 64 -9.099 -21.974 -18.517 1.00 11.97 C ATOM 576 H LEU A 64 -5.356 -21.718 -19.251 1.00 0.00 H ATOM 577 N ALA A 65 -7.396 -18.179 -20.703 1.00 10.61 N ATOM 578 CA ALA A 65 -7.132 -16.778 -20.952 1.00 11.39 C ATOM 579 C ALA A 65 -6.810 -16.108 -19.582 1.00 12.55 C ATOM 580 O ALA A 65 -7.296 -16.584 -18.569 1.00 12.94 O ATOM 581 CB ALA A 65 -8.381 -16.124 -21.556 1.00 12.76 C ATOM 582 H ALA A 65 -8.363 -18.556 -20.776 1.00 0.00 H ATOM 583 N PRO A 66 -6.042 -14.994 -19.552 1.00 10.85 N ATOM 584 CA PRO A 66 -5.743 -14.305 -18.268 1.00 11.52 C ATOM 585 C PRO A 66 -6.931 -13.926 -17.471 1.00 10.08 C ATOM 586 O PRO A 66 -6.988 -14.152 -16.267 1.00 9.22 O ATOM 587 CB PRO A 66 -4.970 -13.097 -18.670 1.00 11.70 C ATOM 588 CG PRO A 66 -4.603 -13.250 -20.103 1.00 12.55 C ATOM 589 CD PRO A 66 -5.344 -14.366 -20.689 1.00 11.64 C ATOM 590 N GLU A 67 -7.955 -13.406 -18.118 1.00 10.41 N ATOM 591 CA GLU A 67 -9.149 -13.070 -17.363 1.00 11.61 C ATOM 592 C GLU A 67 -9.954 -14.271 -16.910 1.00 10.67 C ATOM 593 O GLU A 67 -10.685 -14.182 -15.975 1.00 10.44 O ATOM 594 CB GLU A 67 -10.015 -12.106 -18.179 1.00 14.27 C ATOM 595 CG GLU A 67 -9.209 -10.910 -18.650 1.00 18.09 C ATOM 596 CD GLU A 67 -8.588 -11.045 -20.055 1.00 21.77 C ATOM 597 OE1 GLU A 67 -8.418 -12.161 -20.658 1.00 21.03 O ATOM 598 OE2 GLU A 67 -8.265 -9.969 -20.562 1.00 27.57 O ATOM 599 H GLU A 67 -7.909 -13.240 -19.144 1.00 0.00 H ATOM 600 N GLU A 68 -9.852 -15.379 -17.630 1.00 10.22 N ATOM 601 CA GLU A 68 -10.503 -16.610 -17.217 1.00 10.61 C ATOM 602 C GLU A 68 -9.833 -17.169 -15.993 1.00 10.21 C ATOM 603 O GLU A 68 -10.494 -17.661 -15.084 1.00 9.04 O ATOM 604 CB GLU A 68 -10.455 -17.677 -18.285 1.00 12.57 C ATOM 605 CG GLU A 68 -11.406 -17.430 -19.395 1.00 14.81 C ATOM 606 CD GLU A 68 -11.353 -18.591 -20.346 1.00 16.38 C ATOM 607 OE1 GLU A 68 -12.467 -19.147 -20.587 1.00 18.66 O ATOM 608 OE2 GLU A 68 -10.253 -18.918 -20.830 1.00 14.43 O ATOM 609 H GLU A 68 -9.295 -15.367 -18.508 1.00 0.00 H ATOM 610 N LEU A 69 -8.487 -17.053 -15.940 1.00 10.25 N ATOM 611 CA LEU A 69 -7.798 -17.477 -14.741 1.00 8.86 C ATOM 612 C LEU A 69 -8.237 -16.589 -13.525 1.00 8.87 C ATOM 613 O LEU A 69 -8.428 -17.106 -12.412 1.00 8.73 O ATOM 614 CB LEU A 69 -6.254 -17.421 -14.861 1.00 9.85 C ATOM 615 CG LEU A 69 -5.430 -17.657 -13.603 1.00 9.92 C ATOM 616 CD1 LEU A 69 -5.766 -19.039 -13.137 1.00 10.63 C ATOM 617 CD2 LEU A 69 -3.971 -17.447 -13.934 1.00 10.69 C ATOM 618 H LEU A 69 -7.957 -16.666 -16.747 1.00 0.00 H ATOM 619 N LEU A 70 -8.371 -15.288 -13.767 1.00 8.17 N ATOM 620 CA LEU A 70 -8.847 -14.348 -12.779 1.00 8.43 C ATOM 621 C LEU A 70 -10.266 -14.708 -12.316 1.00 8.11 C ATOM 622 O LEU A 70 -10.581 -14.647 -11.096 1.00 7.80 O ATOM 623 CB LEU A 70 -8.801 -12.917 -13.275 1.00 8.85 C ATOM 624 CG LEU A 70 -9.272 -11.876 -12.263 1.00 9.50 C ATOM 625 CD1 LEU A 70 -8.305 -11.731 -11.116 1.00 9.76 C ATOM 626 CD2 LEU A 70 -9.497 -10.508 -12.921 1.00 10.14 C ATOM 627 H LEU A 70 -8.121 -14.931 -14.711 1.00 0.00 H ATOM 628 N ASN A 71 -11.136 -15.152 -13.222 1.00 8.44 N ATOM 629 CA ASN A 71 -12.454 -15.591 -12.741 1.00 8.15 C ATOM 630 C ASN A 71 -12.316 -16.667 -11.708 1.00 8.21 C ATOM 631 O ASN A 71 -13.070 -16.711 -10.733 1.00 9.00 O ATOM 632 CB ASN A 71 -13.304 -16.134 -13.905 1.00 9.00 C ATOM 633 CG ASN A 71 -13.617 -15.120 -14.937 1.00 10.16 C ATOM 634 OD1 ASN A 71 -13.543 -13.934 -14.693 1.00 10.83 O ATOM 635 ND2 ASN A 71 -13.976 -15.587 -16.138 1.00 11.53 N ATOM 636 HD22 ASN A 71 -14.026 -16.613 -16.303 1.00 0.00 H ATOM 637 HD21 ASN A 71 -14.205 -14.925 -16.906 1.00 0.00 H ATOM 638 H ASN A 71 -10.892 -15.187 -14.232 1.00 0.00 H ATOM 639 N HIS A 72 -11.376 -17.592 -11.920 1.00 7.51 N ATOM 640 CA HIS A 72 -11.269 -18.725 -11.047 1.00 7.87 C ATOM 641 C HIS A 72 -10.618 -18.399 -9.761 1.00 7.83 C ATOM 642 O HIS A 72 -11.077 -18.853 -8.733 1.00 7.94 O ATOM 643 CB HIS A 72 -10.519 -19.937 -11.708 1.00 8.49 C ATOM 644 CG HIS A 72 -11.355 -20.688 -12.725 1.00 9.93 C ATOM 645 ND1 HIS A 72 -12.278 -21.653 -12.371 1.00 10.96 N ATOM 646 CD2 HIS A 72 -11.501 -20.523 -14.053 1.00 10.23 C ATOM 647 CE1 HIS A 72 -12.947 -22.045 -13.428 1.00 12.23 C ATOM 648 NE2 HIS A 72 -12.481 -21.402 -14.479 1.00 11.87 N ATOM 649 H HIS A 72 -10.720 -17.490 -12.720 1.00 0.00 H ATOM 650 N THR A 73 -9.572 -17.565 -9.762 1.00 6.95 N ATOM 651 CA THR A 73 -9.026 -17.213 -8.499 1.00 6.96 C ATOM 652 C THR A 73 -10.037 -16.373 -7.682 1.00 6.67 C ATOM 653 O THR A 73 -10.046 -16.498 -6.480 1.00 7.07 O ATOM 654 CB THR A 73 -7.716 -16.471 -8.679 1.00 6.89 C ATOM 655 OG1 THR A 73 -7.833 -15.230 -9.388 1.00 7.44 O ATOM 656 CG2 THR A 73 -6.761 -17.359 -9.433 1.00 6.93 C ATOM 657 HG1 THR A 73 -8.443 -14.626 -8.895 1.00 0.00 H ATOM 658 H THR A 73 -9.176 -17.191 -10.648 1.00 0.00 H ATOM 659 N GLN A 74 -10.801 -15.489 -8.308 1.00 7.63 N ATOM 660 CA GLN A 74 -11.811 -14.720 -7.562 1.00 7.20 C ATOM 661 C GLN A 74 -12.827 -15.660 -6.949 1.00 7.64 C ATOM 662 O GLN A 74 -13.194 -15.479 -5.805 1.00 7.79 O ATOM 663 CB GLN A 74 -12.497 -13.650 -8.437 1.00 8.31 C ATOM 664 CG GLN A 74 -11.608 -12.461 -8.772 1.00 8.70 C ATOM 665 CD GLN A 74 -12.283 -11.433 -9.591 1.00 8.94 C ATOM 666 OE1 GLN A 74 -13.135 -11.729 -10.382 1.00 10.77 O ATOM 667 NE2 GLN A 74 -11.738 -10.206 -9.549 1.00 9.21 N ATOM 668 HE22 GLN A 74 -11.001 -9.988 -8.848 1.00 0.00 H ATOM 669 HE21 GLN A 74 -12.053 -9.474 -10.217 1.00 0.00 H ATOM 670 H GLN A 74 -10.687 -15.338 -9.331 1.00 0.00 H ATOM 671 N ARG A 75 -13.250 -16.641 -7.721 1.00 6.99 N ATOM 672 CA ARG A 75 -14.190 -17.629 -7.233 1.00 7.68 C ATOM 673 C ARG A 75 -13.684 -18.317 -5.978 1.00 7.93 C ATOM 674 O ARG A 75 -14.430 -18.512 -5.073 1.00 7.53 O ATOM 675 CB ARG A 75 -14.474 -18.670 -8.314 1.00 8.01 C ATOM 676 CG ARG A 75 -15.471 -19.731 -7.876 1.00 8.15 C ATOM 677 CD ARG A 75 -15.673 -20.775 -8.956 1.00 8.91 C ATOM 678 NE ARG A 75 -14.417 -21.269 -9.518 1.00 9.82 N ATOM 679 CZ ARG A 75 -13.617 -22.155 -8.928 1.00 10.59 C ATOM 680 NH1 ARG A 75 -13.922 -22.659 -7.737 1.00 12.36 N ATOM 681 NH2 ARG A 75 -12.512 -22.563 -9.528 1.00 10.89 N ATOM 682 HE ARG A 75 -14.127 -20.901 -10.447 1.00 0.00 H ATOM 683 HH12 ARG A 75 -13.288 -23.350 -7.287 1.00 0.00 H ATOM 684 HH11 ARG A 75 -14.794 -22.362 -7.255 1.00 0.00 H ATOM 685 HH22 ARG A 75 -11.892 -23.255 -9.061 1.00 0.00 H ATOM 686 HH21 ARG A 75 -12.263 -22.192 -10.467 1.00 0.00 H ATOM 687 H ARG A 75 -12.902 -16.707 -8.699 1.00 0.00 H ATOM 688 N ILE A 76 -12.421 -18.732 -5.993 1.00 7.90 N ATOM 689 CA ILE A 76 -11.835 -19.489 -4.915 1.00 8.53 C ATOM 690 C ILE A 76 -11.818 -18.603 -3.681 1.00 8.48 C ATOM 691 O ILE A 76 -12.220 -19.015 -2.617 1.00 8.46 O ATOM 692 CB ILE A 76 -10.470 -20.088 -5.328 1.00 8.84 C ATOM 693 CG1 ILE A 76 -10.625 -21.113 -6.429 1.00 8.94 C ATOM 694 CG2 ILE A 76 -9.757 -20.629 -4.089 1.00 9.03 C ATOM 695 CD1 ILE A 76 -9.311 -21.503 -7.100 1.00 9.14 C ATOM 696 H ILE A 76 -11.831 -18.501 -6.817 1.00 0.00 H ATOM 697 N GLU A 77 -11.414 -17.346 -3.829 1.00 8.72 N ATOM 698 CA GLU A 77 -11.450 -16.394 -2.710 1.00 7.59 C ATOM 699 C GLU A 77 -12.847 -16.273 -2.076 1.00 8.10 C ATOM 700 O GLU A 77 -13.006 -16.352 -0.876 1.00 8.69 O ATOM 701 CB GLU A 77 -10.958 -15.009 -3.175 1.00 8.58 C ATOM 702 CG GLU A 77 -9.459 -14.956 -3.468 1.00 8.69 C ATOM 703 CD GLU A 77 -9.045 -13.713 -4.224 1.00 9.19 C ATOM 704 OE1 GLU A 77 -9.734 -13.340 -5.151 1.00 9.15 O ATOM 705 OE2 GLU A 77 -8.010 -13.162 -3.932 1.00 11.04 O ATOM 706 H GLU A 77 -11.065 -17.029 -4.756 1.00 0.00 H ATOM 707 N LEU A 78 -13.837 -16.073 -2.919 1.00 8.80 N ATOM 708 CA LEU A 78 -15.203 -15.862 -2.508 1.00 8.61 C ATOM 709 C LEU A 78 -15.685 -17.111 -1.837 1.00 10.15 C ATOM 710 O LEU A 78 -16.365 -16.981 -0.806 1.00 10.82 O ATOM 711 CB LEU A 78 -16.028 -15.441 -3.735 1.00 8.66 C ATOM 712 CG LEU A 78 -15.791 -14.016 -4.327 1.00 8.75 C ATOM 713 CD1 LEU A 78 -16.651 -13.790 -5.547 1.00 9.47 C ATOM 714 CD2 LEU A 78 -16.072 -12.987 -3.278 1.00 9.04 C ATOM 715 H LEU A 78 -13.623 -16.067 -3.937 1.00 0.00 H ATOM 716 N GLN A 79 -15.352 -18.302 -2.385 1.00 8.89 N ATOM 717 CA GLN A 79 -15.729 -19.572 -1.782 1.00 10.10 C ATOM 718 C GLN A 79 -15.038 -19.898 -0.456 1.00 11.68 C ATOM 719 O GLN A 79 -15.535 -20.757 0.306 1.00 14.20 O ATOM 720 CB GLN A 79 -15.624 -20.732 -2.821 1.00 11.27 C ATOM 721 CG GLN A 79 -16.631 -20.565 -3.973 1.00 11.63 C ATOM 722 CD GLN A 79 -16.503 -21.499 -5.125 1.00 12.61 C ATOM 723 OE1 GLN A 79 -15.402 -22.047 -5.379 1.00 12.99 O ATOM 724 NE2 GLN A 79 -17.629 -21.696 -5.881 1.00 11.53 N ATOM 725 HE22 GLN A 79 -18.516 -21.217 -5.627 1.00 0.00 H ATOM 726 HE21 GLN A 79 -17.596 -22.324 -6.709 1.00 0.00 H ATOM 727 H GLN A 79 -14.806 -18.311 -3.270 1.00 0.00 H ATOM 728 N GLN A 80 -13.957 -19.203 -0.167 1.00 11.43 N ATOM 729 CA GLN A 80 -13.233 -19.280 1.082 1.00 12.78 C ATOM 730 C GLN A 80 -13.475 -18.099 2.044 1.00 14.85 C ATOM 731 O GLN A 80 -12.654 -17.741 2.938 1.00 17.97 O ATOM 732 CB GLN A 80 -11.759 -19.456 0.776 1.00 12.38 C ATOM 733 CG GLN A 80 -11.514 -20.878 0.285 1.00 13.18 C ATOM 734 CD GLN A 80 -10.039 -21.311 0.278 1.00 11.43 C ATOM 735 OE1 GLN A 80 -9.625 -22.053 -0.604 1.00 13.37 O ATOM 736 NE2 GLN A 80 -9.291 -20.944 1.297 1.00 11.06 N ATOM 737 HE22 GLN A 80 -9.679 -20.312 2.026 1.00 0.00 H ATOM 738 HE21 GLN A 80 -8.312 -21.286 1.373 1.00 0.00 H ATOM 739 H GLN A 80 -13.597 -18.550 -0.892 1.00 0.00 H ATOM 740 N GLY A 81 -14.626 -17.487 1.861 1.00 16.81 N ATOM 741 CA GLY A 81 -15.160 -16.602 2.839 1.00 18.02 C ATOM 742 C GLY A 81 -14.544 -15.248 2.804 1.00 19.05 C ATOM 743 O GLY A 81 -14.613 -14.523 3.798 1.00 26.45 O ATOM 744 H GLY A 81 -15.157 -17.654 0.982 1.00 0.00 H ATOM 745 N ARG A 82 -13.971 -14.867 1.663 1.00 16.88 N ATOM 746 CA ARG A 82 -13.477 -13.573 1.488 1.00 17.95 C ATOM 747 C ARG A 82 -14.649 -12.584 1.364 1.00 18.25 C ATOM 748 O ARG A 82 -15.428 -12.672 0.448 1.00 14.98 O ATOM 749 CB ARG A 82 -12.588 -13.465 0.270 1.00 18.53 C ATOM 750 CG ARG A 82 -12.249 -12.039 0.038 1.00 19.54 C ATOM 751 CD ARG A 82 -10.967 -11.883 -0.675 1.00 19.91 C ATOM 752 NE ARG A 82 -10.575 -10.492 -0.729 1.00 21.63 N ATOM 753 CZ ARG A 82 -9.385 -10.085 -1.156 1.00 21.83 C ATOM 754 NH1 ARG A 82 -8.523 -10.963 -1.580 1.00 20.39 N ATOM 755 NH2 ARG A 82 -9.079 -8.794 -1.180 1.00 24.13 N ATOM 756 HE ARG A 82 -11.260 -9.774 -0.418 1.00 0.00 H ATOM 757 HH12 ARG A 82 -7.589 -10.654 -1.916 1.00 0.00 H ATOM 758 HH11 ARG A 82 -8.769 -11.974 -1.583 1.00 0.00 H ATOM 759 HH22 ARG A 82 -8.144 -8.487 -1.516 1.00 0.00 H ATOM 760 HH21 ARG A 82 -9.774 -8.089 -0.862 1.00 0.00 H ATOM 761 H ARG A 82 -13.890 -15.551 0.883 1.00 0.00 H ATOM 762 N VAL A 83 -14.711 -11.643 2.307 1.00 20.20 N ATOM 763 CA VAL A 83 -15.768 -10.630 2.421 1.00 22.11 C ATOM 764 C VAL A 83 -15.060 -9.279 2.252 1.00 21.37 C ATOM 765 O VAL A 83 -14.010 -9.026 2.878 1.00 27.90 O ATOM 766 CB VAL A 83 -16.462 -10.711 3.819 1.00 24.33 C ATOM 767 CG1 VAL A 83 -17.271 -9.459 4.132 1.00 26.27 C ATOM 768 CG2 VAL A 83 -17.340 -11.941 3.907 1.00 25.79 C ATOM 769 H VAL A 83 -13.951 -11.625 3.017 1.00 0.00 H ATOM 770 N ARG A 84 -15.604 -8.439 1.386 1.00 19.26 N ATOM 771 CA ARG A 84 -15.101 -7.107 1.191 1.00 18.46 C ATOM 772 C ARG A 84 -15.622 -6.192 2.329 1.00 20.20 C ATOM 773 O ARG A 84 -16.833 -6.150 2.650 1.00 19.24 O ATOM 774 CB ARG A 84 -15.479 -6.573 -0.187 1.00 19.71 C ATOM 775 CG ARG A 84 -15.225 -5.085 -0.417 1.00 20.40 C ATOM 776 CD ARG A 84 -13.769 -4.720 -0.677 1.00 19.47 C ATOM 777 NE ARG A 84 -13.221 -5.606 -1.670 1.00 20.28 N ATOM 778 CZ ARG A 84 -11.935 -5.781 -2.009 1.00 22.94 C ATOM 779 NH1 ARG A 84 -10.969 -5.033 -1.459 1.00 24.30 N ATOM 780 NH2 ARG A 84 -11.608 -6.720 -2.916 1.00 19.96 N ATOM 781 HE ARG A 84 -13.910 -6.185 -2.191 1.00 0.00 H ATOM 782 HH12 ARG A 84 -9.977 -5.182 -1.733 1.00 0.00 H ATOM 783 HH11 ARG A 84 -11.211 -4.304 -0.758 1.00 0.00 H ATOM 784 HH22 ARG A 84 -10.613 -6.861 -3.183 1.00 0.00 H ATOM 785 HH21 ARG A 84 -12.351 -7.305 -3.350 1.00 0.00 H ATOM 786 H ARG A 84 -16.423 -8.753 0.828 1.00 0.00 H ATOM 787 N LYS A 85 -14.666 -5.517 2.969 1.00 18.99 N ATOM 788 CA LYS A 85 -15.007 -4.386 3.848 1.00 23.19 C ATOM 789 C LYS A 85 -14.562 -3.046 3.255 1.00 23.77 C ATOM 790 O LYS A 85 -13.890 -3.001 2.262 1.00 24.28 O ATOM 791 CB LYS A 85 -14.449 -4.619 5.238 1.00 25.42 C ATOM 792 CG LYS A 85 -15.337 -5.574 6.028 1.00 28.39 C ATOM 793 CD LYS A 85 -14.532 -6.496 6.887 1.00 29.55 C ATOM 794 CE LYS A 85 -13.916 -7.616 6.078 1.00 31.03 C ATOM 795 NZ LYS A 85 -13.124 -8.500 6.973 1.00 33.79 N ATOM 796 HZ1 LYS A 85 -12.370 -7.946 7.427 1.00 0.00 H ATOM 797 HZ2 LYS A 85 -13.748 -8.902 7.702 1.00 0.00 H ATOM 798 HZ3 LYS A 85 -12.702 -9.269 6.414 1.00 0.00 H ATOM 799 H LYS A 85 -13.671 -5.792 2.846 1.00 0.00 H ATOM 800 N ALA A 86 -14.987 -1.938 3.840 1.00 25.05 N ATOM 801 CA ALA A 86 -14.691 -0.693 3.173 1.00 25.51 C ATOM 802 C ALA A 86 -13.170 -0.375 3.310 1.00 24.84 C ATOM 803 O ALA A 86 -12.632 0.289 2.460 1.00 29.53 O ATOM 804 CB ALA A 86 -15.578 0.430 3.671 1.00 26.75 C ATOM 805 H ALA A 86 -15.510 -1.963 4.739 1.00 0.00 H ATOM 806 N GLU A 87 -12.511 -0.870 4.345 1.00 24.27 N ATOM 807 CA GLU A 87 -11.105 -0.551 4.586 1.00 27.08 C ATOM 808 C GLU A 87 -10.238 -0.937 3.440 1.00 21.20 C ATOM 809 O GLU A 87 -10.366 -1.976 2.806 1.00 22.05 O ATOM 810 CB GLU A 87 -10.509 -1.172 5.853 1.00 28.33 C ATOM 811 CG GLU A 87 -9.264 -0.390 6.305 1.00 30.92 C ATOM 812 CD GLU A 87 -8.500 -0.944 7.513 1.00 34.33 C ATOM 813 OE1 GLU A 87 -9.102 -1.617 8.388 1.00 34.52 O ATOM 814 OE2 GLU A 87 -7.277 -0.656 7.643 1.00 29.11 O ATOM 815 H GLU A 87 -13.007 -1.503 5.005 1.00 0.00 H ATOM 816 N ARG A 88 -9.377 -0.018 3.112 1.00 19.72 N ATOM 817 CA ARG A 88 -8.356 -0.316 2.169 1.00 18.68 C ATOM 818 C ARG A 88 -7.426 -1.304 2.830 1.00 14.92 C ATOM 819 O ARG A 88 -6.981 -1.038 3.964 1.00 17.43 O ATOM 820 CB ARG A 88 -7.558 0.937 1.862 1.00 19.81 C ATOM 821 CG ARG A 88 -6.735 0.776 0.618 1.00 22.17 C ATOM 822 CD ARG A 88 -6.371 2.088 -0.040 1.00 21.86 C ATOM 823 NE ARG A 88 -5.677 1.702 -1.233 1.00 22.74 N ATOM 824 CZ ARG A 88 -4.901 2.474 -1.959 1.00 22.42 C ATOM 825 NH1 ARG A 88 -4.790 3.762 -1.724 1.00 21.99 N ATOM 826 NH2 ARG A 88 -4.289 1.937 -2.998 1.00 23.90 N ATOM 827 HE ARG A 88 -5.799 0.720 -1.553 1.00 0.00 H ATOM 828 HH12 ARG A 88 -4.167 4.347 -2.317 1.00 0.00 H ATOM 829 HH11 ARG A 88 -5.325 4.197 -0.945 1.00 0.00 H ATOM 830 HH22 ARG A 88 -3.667 2.520 -3.594 1.00 0.00 H ATOM 831 HH21 ARG A 88 -4.428 0.931 -3.221 1.00 0.00 H ATOM 832 H ARG A 88 -9.436 0.929 3.537 1.00 0.00 H ATOM 833 N TRP A 89 -7.150 -2.421 2.158 1.00 12.90 N ATOM 834 CA TRP A 89 -6.009 -3.330 2.521 1.00 12.14 C ATOM 835 C TRP A 89 -6.172 -4.015 3.915 1.00 12.16 C ATOM 836 O TRP A 89 -5.144 -4.244 4.625 1.00 11.71 O ATOM 837 CB TRP A 89 -4.712 -2.543 2.420 1.00 11.95 C ATOM 838 CG TRP A 89 -4.210 -2.287 1.077 1.00 12.10 C ATOM 839 CD1 TRP A 89 -4.275 -3.105 0.005 1.00 12.89 C ATOM 840 CD2 TRP A 89 -3.468 -1.163 0.694 1.00 12.33 C ATOM 841 NE1 TRP A 89 -3.612 -2.550 -1.070 1.00 13.21 N ATOM 842 CE2 TRP A 89 -3.102 -1.338 -0.657 1.00 12.83 C ATOM 843 CE3 TRP A 89 -3.029 -0.029 1.372 1.00 13.36 C ATOM 844 CZ2 TRP A 89 -2.311 -0.434 -1.334 1.00 14.91 C ATOM 845 CZ3 TRP A 89 -2.319 0.896 0.677 1.00 14.87 C ATOM 846 CH2 TRP A 89 -1.948 0.672 -0.674 1.00 14.91 C ATOM 847 HE1 TRP A 89 -3.515 -2.969 -2.017 1.00 0.00 H ATOM 848 H TRP A 89 -7.750 -2.675 1.347 1.00 0.00 H ATOM 849 N GLY A 90 -7.437 -4.260 4.261 1.00 12.83 N ATOM 850 CA GLY A 90 -7.787 -4.983 5.444 1.00 13.08 C ATOM 851 C GLY A 90 -7.411 -6.461 5.430 1.00 11.65 C ATOM 852 O GLY A 90 -6.906 -6.971 4.388 1.00 10.93 O ATOM 853 H GLY A 90 -8.199 -3.911 3.646 1.00 0.00 H ATOM 854 N PRO A 91 -7.599 -7.152 6.561 1.00 10.19 N ATOM 855 CA PRO A 91 -7.263 -8.574 6.620 1.00 9.57 C ATOM 856 C PRO A 91 -8.211 -9.415 5.753 1.00 9.92 C ATOM 857 O PRO A 91 -9.314 -8.987 5.454 1.00 10.57 O ATOM 858 CB PRO A 91 -7.349 -8.912 8.100 1.00 10.78 C ATOM 859 CG PRO A 91 -8.256 -7.872 8.632 1.00 10.73 C ATOM 860 CD PRO A 91 -7.877 -6.635 7.902 1.00 11.06 C ATOM 861 N ARG A 92 -7.775 -10.592 5.332 1.00 8.81 N ATOM 862 CA ARG A 92 -8.654 -11.444 4.565 1.00 9.91 C ATOM 863 C ARG A 92 -8.312 -12.906 4.770 1.00 9.59 C ATOM 864 O ARG A 92 -7.178 -13.269 5.083 1.00 8.82 O ATOM 865 CB ARG A 92 -8.579 -11.063 3.094 1.00 11.57 C ATOM 866 CG ARG A 92 -7.250 -11.388 2.429 1.00 12.49 C ATOM 867 CD ARG A 92 -6.074 -10.619 3.026 1.00 13.67 C ATOM 868 NE ARG A 92 -6.324 -9.211 2.792 1.00 15.22 N ATOM 869 CZ ARG A 92 -5.701 -8.474 1.901 1.00 20.18 C ATOM 870 NH1 ARG A 92 -4.701 -8.988 1.181 1.00 23.09 N ATOM 871 NH2 ARG A 92 -6.093 -7.218 1.744 1.00 21.19 N ATOM 872 HE ARG A 92 -7.052 -8.749 3.374 1.00 0.00 H ATOM 873 HH12 ARG A 92 -4.211 -8.400 0.477 1.00 0.00 H ATOM 874 HH11 ARG A 92 -4.412 -9.977 1.324 1.00 0.00 H ATOM 875 HH22 ARG A 92 -5.620 -6.609 1.047 1.00 0.00 H ATOM 876 HH21 ARG A 92 -6.874 -6.841 2.318 1.00 0.00 H ATOM 877 H ARG A 92 -6.807 -10.901 5.552 1.00 0.00 H ATOM 878 N THR A 93 -9.326 -13.734 4.605 1.00 8.34 N ATOM 879 CA THR A 93 -9.131 -15.162 4.648 1.00 7.92 C ATOM 880 C THR A 93 -8.242 -15.691 3.548 1.00 7.33 C ATOM 881 O THR A 93 -7.484 -16.590 3.800 1.00 7.56 O ATOM 882 CB THR A 93 -10.462 -15.894 4.549 1.00 9.71 C ATOM 883 OG1 THR A 93 -11.139 -15.463 3.370 1.00 11.09 O ATOM 884 CG2 THR A 93 -11.271 -15.459 5.779 1.00 10.24 C ATOM 885 HG1 THR A 93 -12.006 -15.935 3.298 1.00 0.00 H ATOM 886 H THR A 93 -10.279 -13.351 4.442 1.00 0.00 H ATOM 887 N LEU A 94 -8.332 -15.106 2.361 1.00 6.89 N ATOM 888 CA LEU A 94 -7.532 -15.574 1.209 1.00 7.07 C ATOM 889 C LEU A 94 -7.415 -14.502 0.186 1.00 7.04 C ATOM 890 O LEU A 94 -8.392 -13.872 -0.153 1.00 8.22 O ATOM 891 CB LEU A 94 -8.123 -16.833 0.564 1.00 7.44 C ATOM 892 CG LEU A 94 -7.280 -17.467 -0.550 1.00 7.78 C ATOM 893 CD1 LEU A 94 -6.007 -18.048 0.052 1.00 9.00 C ATOM 894 CD2 LEU A 94 -8.092 -18.506 -1.239 1.00 8.40 C ATOM 895 H LEU A 94 -8.979 -14.301 2.238 1.00 0.00 H ATOM 896 N ASP A 95 -6.189 -14.303 -0.278 1.00 7.53 N ATOM 897 CA ASP A 95 -5.886 -13.388 -1.374 1.00 7.29 C ATOM 898 C ASP A 95 -5.044 -14.092 -2.433 1.00 6.89 C ATOM 899 O ASP A 95 -3.999 -14.705 -2.111 1.00 8.43 O ATOM 900 CB ASP A 95 -5.063 -12.220 -0.819 1.00 7.21 C ATOM 901 CG ASP A 95 -4.907 -11.064 -1.791 1.00 8.36 C ATOM 902 OD1 ASP A 95 -5.921 -10.679 -2.459 1.00 8.26 O ATOM 903 OD2 ASP A 95 -3.752 -10.541 -1.968 1.00 9.00 O ATOM 904 H ASP A 95 -5.404 -14.825 0.161 1.00 0.00 H ATOM 905 N LEU A 96 -5.501 -14.034 -3.684 1.00 7.02 N ATOM 906 CA LEU A 96 -4.856 -14.703 -4.804 1.00 6.92 C ATOM 907 C LEU A 96 -4.619 -13.615 -5.873 1.00 7.14 C ATOM 908 O LEU A 96 -5.553 -13.118 -6.592 1.00 7.40 O ATOM 909 CB LEU A 96 -5.780 -15.775 -5.404 1.00 7.00 C ATOM 910 CG LEU A 96 -6.088 -16.962 -4.520 1.00 7.44 C ATOM 911 CD1 LEU A 96 -7.115 -17.926 -5.226 1.00 7.06 C ATOM 912 CD2 LEU A 96 -4.787 -17.643 -4.145 1.00 8.05 C ATOM 913 H LEU A 96 -6.363 -13.482 -3.869 1.00 0.00 H ATOM 914 N ASP A 97 -3.357 -13.245 -6.020 1.00 7.18 N ATOM 915 CA ASP A 97 -2.954 -12.152 -6.872 1.00 7.66 C ATOM 916 C ASP A 97 -2.204 -12.817 -8.014 1.00 7.62 C ATOM 917 O ASP A 97 -1.315 -13.562 -7.781 1.00 8.35 O ATOM 918 CB ASP A 97 -1.981 -11.139 -6.152 1.00 8.10 C ATOM 919 CG ASP A 97 -2.654 -10.211 -5.160 1.00 9.10 C ATOM 920 OD1 ASP A 97 -3.890 -10.099 -5.151 1.00 9.86 O ATOM 921 OD2 ASP A 97 -1.912 -9.676 -4.418 1.00 10.30 O ATOM 922 H ASP A 97 -2.623 -13.765 -5.498 1.00 0.00 H ATOM 923 N ILE A 98 -2.601 -12.499 -9.255 1.00 7.06 N ATOM 924 CA ILE A 98 -1.894 -12.918 -10.429 1.00 6.93 C ATOM 925 C ILE A 98 -0.682 -12.043 -10.518 1.00 7.27 C ATOM 926 O ILE A 98 -0.802 -10.914 -10.881 1.00 8.61 O ATOM 927 CB ILE A 98 -2.824 -12.922 -11.684 1.00 7.50 C ATOM 928 CG1 ILE A 98 -4.048 -13.824 -11.392 1.00 8.06 C ATOM 929 CG2 ILE A 98 -2.079 -13.463 -12.870 1.00 7.00 C ATOM 930 CD1 ILE A 98 -5.096 -13.716 -12.523 1.00 8.16 C ATOM 931 H ILE A 98 -3.459 -11.923 -9.370 1.00 0.00 H ATOM 932 N MET A 99 0.518 -12.556 -10.174 1.00 6.26 N ATOM 933 CA MET A 99 1.742 -11.724 -10.314 1.00 6.65 C ATOM 934 C MET A 99 2.163 -11.553 -11.748 1.00 7.05 C ATOM 935 O MET A 99 2.536 -10.482 -12.248 1.00 7.59 O ATOM 936 CB MET A 99 2.889 -12.352 -9.550 1.00 7.14 C ATOM 937 CG MET A 99 2.661 -12.311 -8.020 1.00 7.89 C ATOM 938 SD MET A 99 4.040 -12.829 -7.069 1.00 9.23 S ATOM 939 CE MET A 99 4.021 -14.590 -7.370 1.00 8.71 C ATOM 940 H MET A 99 0.586 -13.529 -9.813 1.00 0.00 H ATOM 941 N LEU A 100 2.176 -12.689 -12.448 1.00 7.02 N ATOM 942 CA LEU A 100 2.636 -12.745 -13.847 1.00 7.64 C ATOM 943 C LEU A 100 1.829 -13.767 -14.609 1.00 8.17 C ATOM 944 O LEU A 100 1.390 -14.782 -14.028 1.00 8.84 O ATOM 945 CB LEU A 100 4.101 -13.219 -13.870 1.00 8.07 C ATOM 946 CG LEU A 100 5.138 -12.326 -13.289 1.00 8.84 C ATOM 947 CD1 LEU A 100 6.476 -13.037 -13.061 1.00 9.01 C ATOM 948 CD2 LEU A 100 5.343 -11.076 -14.095 1.00 9.31 C ATOM 949 H LEU A 100 1.850 -13.565 -11.991 1.00 0.00 H ATOM 950 N PHE A 101 1.607 -13.503 -15.920 1.00 10.36 N ATOM 951 CA PHE A 101 0.845 -14.415 -16.827 1.00 10.41 C ATOM 952 C PHE A 101 1.734 -14.582 -18.039 1.00 10.55 C ATOM 953 O PHE A 101 1.666 -13.782 -18.973 1.00 12.18 O ATOM 954 CB PHE A 101 -0.542 -13.831 -17.193 1.00 11.31 C ATOM 955 CG PHE A 101 -1.391 -14.811 -17.830 1.00 10.97 C ATOM 956 CD1 PHE A 101 -1.295 -15.016 -19.166 1.00 12.61 C ATOM 957 CD2 PHE A 101 -2.237 -15.609 -17.082 1.00 12.97 C ATOM 958 CE1 PHE A 101 -2.059 -15.997 -19.784 1.00 12.51 C ATOM 959 CE2 PHE A 101 -2.964 -16.595 -17.663 1.00 12.24 C ATOM 960 CZ PHE A 101 -2.915 -16.774 -19.019 1.00 12.82 C ATOM 961 H PHE A 101 1.987 -12.619 -16.316 1.00 0.00 H ATOM 962 N GLY A 102 2.558 -15.611 -18.072 1.00 11.33 N ATOM 963 CA GLY A 102 3.621 -15.650 -19.076 1.00 12.74 C ATOM 964 C GLY A 102 4.384 -14.316 -19.086 1.00 13.10 C ATOM 965 O GLY A 102 4.705 -13.737 -18.015 1.00 14.39 O ATOM 966 H GLY A 102 2.453 -16.389 -17.390 1.00 0.00 H ATOM 967 N ASN A 103 4.696 -13.876 -20.292 1.00 15.02 N ATOM 968 CA ASN A 103 5.375 -12.618 -20.512 1.00 16.13 C ATOM 969 C ASN A 103 4.341 -11.545 -20.851 1.00 16.31 C ATOM 970 O ASN A 103 4.714 -10.524 -21.376 1.00 19.18 O ATOM 971 CB ASN A 103 6.431 -12.840 -21.624 1.00 18.42 C ATOM 972 CG ASN A 103 7.352 -14.023 -21.330 1.00 18.25 C ATOM 973 OD1 ASN A 103 7.648 -14.878 -22.195 1.00 20.37 O ATOM 974 ND2 ASN A 103 7.777 -14.116 -20.095 1.00 19.78 N ATOM 975 HD22 ASN A 103 7.514 -13.390 -19.399 1.00 0.00 H ATOM 976 HD21 ASN A 103 8.377 -14.916 -19.811 1.00 0.00 H ATOM 977 H ASN A 103 4.443 -14.458 -21.116 1.00 0.00 H ATOM 978 N GLU A 104 3.058 -11.767 -20.531 1.00 15.55 N ATOM 979 CA GLU A 104 1.989 -10.878 -20.898 1.00 16.52 C ATOM 980 C GLU A 104 1.985 -9.555 -20.076 1.00 16.96 C ATOM 981 O GLU A 104 2.293 -9.518 -18.897 1.00 15.40 O ATOM 982 CB GLU A 104 0.583 -11.548 -20.786 1.00 18.84 C ATOM 983 CG GLU A 104 0.301 -12.674 -21.783 1.00 21.93 C ATOM 984 CD GLU A 104 0.316 -12.251 -23.237 1.00 27.34 C ATOM 985 OE1 GLU A 104 -0.499 -11.376 -23.663 1.00 29.88 O ATOM 986 OE2 GLU A 104 1.137 -12.839 -23.962 1.00 29.79 O ATOM 987 H GLU A 104 2.824 -12.624 -19.991 1.00 0.00 H ATOM 988 N VAL A 105 1.621 -8.457 -20.737 1.00 15.65 N ATOM 989 CA VAL A 105 1.493 -7.185 -20.098 1.00 16.72 C ATOM 990 C VAL A 105 0.078 -6.749 -20.344 1.00 17.83 C ATOM 991 O VAL A 105 -0.315 -6.438 -21.506 1.00 20.00 O ATOM 992 CB VAL A 105 2.496 -6.202 -20.669 1.00 15.92 C ATOM 993 CG1 VAL A 105 2.247 -4.807 -20.119 1.00 16.76 C ATOM 994 CG2 VAL A 105 3.896 -6.626 -20.299 1.00 16.72 C ATOM 995 H VAL A 105 1.423 -8.528 -21.755 1.00 0.00 H ATOM 996 N ILE A 106 -0.695 -6.688 -19.274 1.00 18.20 N ATOM 997 CA ILE A 106 -2.141 -6.481 -19.353 1.00 18.66 C ATOM 998 C ILE A 106 -2.523 -5.320 -18.423 1.00 20.52 C ATOM 999 O ILE A 106 -2.036 -5.243 -17.315 1.00 18.39 O ATOM 1000 CB ILE A 106 -2.878 -7.768 -18.922 1.00 19.22 C ATOM 1001 CG1 ILE A 106 -2.661 -8.963 -19.885 1.00 18.87 C ATOM 1002 CG2 ILE A 106 -4.351 -7.449 -18.708 1.00 19.56 C ATOM 1003 CD1 ILE A 106 -2.755 -10.350 -19.274 1.00 22.20 C ATOM 1004 H ILE A 106 -0.257 -6.791 -18.336 1.00 0.00 H ATOM 1005 N ASN A 107 -3.395 -4.402 -18.861 1.00 25.72 N ATOM 1006 CA ASN A 107 -3.918 -3.361 -17.981 1.00 30.69 C ATOM 1007 C ASN A 107 -5.404 -3.175 -18.165 1.00 32.52 C ATOM 1008 O ASN A 107 -5.861 -2.040 -18.295 1.00 42.91 O ATOM 1009 CB ASN A 107 -3.204 -2.058 -18.219 1.00 32.76 C ATOM 1010 CG ASN A 107 -1.738 -2.149 -17.892 1.00 34.54 C ATOM 1011 OD1 ASN A 107 -1.373 -2.091 -16.740 1.00 44.76 O ATOM 1012 ND2 ASN A 107 -0.895 -2.331 -18.896 1.00 37.40 N ATOM 1013 HD22 ASN A 107 -1.251 -2.375 -19.872 1.00 0.00 H ATOM 1014 HD21 ASN A 107 0.123 -2.430 -18.709 1.00 0.00 H ATOM 1015 H ASN A 107 -3.707 -4.432 -19.853 1.00 0.00 H ATOM 1016 N THR A 108 -6.162 -4.275 -18.174 1.00 31.21 N ATOM 1017 CA THR A 108 -7.592 -4.208 -18.494 1.00 27.56 C ATOM 1018 C THR A 108 -8.308 -3.641 -17.295 1.00 26.73 C ATOM 1019 O THR A 108 -7.699 -3.225 -16.299 1.00 26.52 O ATOM 1020 CB THR A 108 -8.264 -5.578 -18.877 1.00 29.41 C ATOM 1021 OG1 THR A 108 -8.433 -6.404 -17.711 1.00 29.31 O ATOM 1022 CG2 THR A 108 -7.530 -6.357 -19.975 1.00 28.65 C ATOM 1023 HG1 THR A 108 -7.549 -6.583 -17.304 1.00 0.00 H ATOM 1024 H THR A 108 -5.731 -5.195 -17.950 1.00 0.00 H ATOM 1025 N GLU A 109 -9.636 -3.640 -17.372 1.00 30.41 N ATOM 1026 CA GLU A 109 -10.470 -3.081 -16.324 1.00 30.54 C ATOM 1027 C GLU A 109 -10.258 -3.896 -15.011 1.00 26.81 C ATOM 1028 O GLU A 109 -9.879 -3.372 -13.925 1.00 29.97 O ATOM 1029 CB GLU A 109 -11.932 -3.107 -16.790 1.00 32.40 C ATOM 1030 CG GLU A 109 -12.217 -2.416 -18.140 1.00 34.27 C ATOM 1031 CD GLU A 109 -12.132 -0.890 -18.111 1.00 35.89 C ATOM 1032 OE1 GLU A 109 -11.979 -0.323 -17.012 1.00 37.04 O ATOM 1033 OE2 GLU A 109 -12.226 -0.247 -19.193 1.00 29.53 O ATOM 1034 H GLU A 109 -10.092 -4.053 -18.211 1.00 0.00 H ATOM 1035 N ARG A 110 -10.397 -5.203 -15.147 1.00 23.53 N ATOM 1036 CA ARG A 110 -10.262 -6.076 -13.989 1.00 19.55 C ATOM 1037 C ARG A 110 -8.853 -6.573 -13.668 1.00 17.19 C ATOM 1038 O ARG A 110 -8.623 -7.153 -12.622 1.00 13.36 O ATOM 1039 CB ARG A 110 -11.102 -7.309 -14.202 1.00 20.09 C ATOM 1040 CG ARG A 110 -12.573 -7.027 -14.342 1.00 20.25 C ATOM 1041 CD ARG A 110 -13.245 -8.293 -14.769 1.00 18.54 C ATOM 1042 NE ARG A 110 -13.160 -9.423 -13.792 1.00 16.87 N ATOM 1043 CZ ARG A 110 -13.102 -10.726 -14.107 1.00 16.22 C ATOM 1044 NH1 ARG A 110 -13.098 -11.162 -15.386 1.00 15.87 N ATOM 1045 NH2 ARG A 110 -13.092 -11.648 -13.142 1.00 16.34 N ATOM 1046 HE ARG A 110 -13.145 -9.177 -12.782 1.00 0.00 H ATOM 1047 HH12 ARG A 110 -13.052 -12.181 -15.588 1.00 0.00 H ATOM 1048 HH11 ARG A 110 -13.141 -10.478 -16.169 1.00 0.00 H ATOM 1049 HH22 ARG A 110 -13.047 -12.658 -13.388 1.00 0.00 H ATOM 1050 HH21 ARG A 110 -13.129 -11.357 -12.144 1.00 0.00 H ATOM 1051 H ARG A 110 -10.603 -5.609 -16.082 1.00 0.00 H ATOM 1052 N LEU A 111 -7.937 -6.418 -14.583 1.00 13.79 N ATOM 1053 CA LEU A 111 -6.694 -7.116 -14.504 1.00 11.93 C ATOM 1054 C LEU A 111 -5.523 -6.331 -14.956 1.00 12.30 C ATOM 1055 O LEU A 111 -5.539 -5.764 -16.081 1.00 13.39 O ATOM 1056 CB LEU A 111 -6.781 -8.365 -15.359 1.00 10.72 C ATOM 1057 CG LEU A 111 -5.647 -9.382 -15.308 1.00 9.91 C ATOM 1058 CD1 LEU A 111 -5.300 -9.910 -13.901 1.00 10.04 C ATOM 1059 CD2 LEU A 111 -5.952 -10.530 -16.228 1.00 10.83 C ATOM 1060 H LEU A 111 -8.114 -5.776 -15.382 1.00 0.00 H ATOM 1061 N THR A 112 -4.510 -6.263 -14.107 1.00 11.15 N ATOM 1062 CA THR A 112 -3.261 -5.532 -14.373 1.00 12.25 C ATOM 1063 C THR A 112 -2.124 -6.522 -14.056 1.00 10.72 C ATOM 1064 O THR A 112 -1.961 -6.959 -12.912 1.00 10.60 O ATOM 1065 CB THR A 112 -3.095 -4.248 -13.503 1.00 13.23 C ATOM 1066 OG1 THR A 112 -4.121 -3.265 -13.858 1.00 16.21 O ATOM 1067 CG2 THR A 112 -1.742 -3.621 -13.721 1.00 13.34 C ATOM 1068 HG1 THR A 112 -5.018 -3.653 -13.698 1.00 0.00 H ATOM 1069 H THR A 112 -4.602 -6.756 -13.196 1.00 0.00 H ATOM 1070 N VAL A 113 -1.335 -6.850 -15.038 1.00 9.80 N ATOM 1071 CA VAL A 113 -0.257 -7.862 -14.944 1.00 9.76 C ATOM 1072 C VAL A 113 0.919 -7.268 -15.707 1.00 9.25 C ATOM 1073 O VAL A 113 0.726 -6.778 -16.816 1.00 10.11 O ATOM 1074 CB VAL A 113 -0.627 -9.274 -15.470 1.00 10.29 C ATOM 1075 CG1 VAL A 113 0.587 -10.205 -15.510 1.00 11.75 C ATOM 1076 CG2 VAL A 113 -1.752 -9.869 -14.602 1.00 10.93 C ATOM 1077 H VAL A 113 -1.470 -6.369 -15.950 1.00 0.00 H ATOM 1078 N PRO A 114 2.162 -7.377 -15.217 1.00 8.25 N ATOM 1079 CA PRO A 114 2.547 -7.812 -13.866 1.00 8.35 C ATOM 1080 C PRO A 114 1.832 -7.030 -12.773 1.00 8.81 C ATOM 1081 O PRO A 114 1.519 -5.856 -12.948 1.00 9.54 O ATOM 1082 CB PRO A 114 4.058 -7.551 -13.837 1.00 9.10 C ATOM 1083 CG PRO A 114 4.494 -7.619 -15.230 1.00 9.07 C ATOM 1084 CD PRO A 114 3.360 -7.011 -16.034 1.00 8.76 C ATOM 1085 N HIS A 115 1.618 -7.708 -11.631 1.00 9.11 N ATOM 1086 CA HIS A 115 1.157 -7.024 -10.449 1.00 9.60 C ATOM 1087 C HIS A 115 1.979 -5.729 -10.283 1.00 8.89 C ATOM 1088 O HIS A 115 3.234 -5.740 -10.256 1.00 9.10 O ATOM 1089 CB HIS A 115 1.317 -7.891 -9.245 1.00 9.25 C ATOM 1090 CG HIS A 115 0.685 -7.305 -8.023 1.00 10.40 C ATOM 1091 ND1 HIS A 115 1.288 -6.340 -7.230 1.00 10.47 N ATOM 1092 CD2 HIS A 115 -0.515 -7.559 -7.452 1.00 11.58 C ATOM 1093 CE1 HIS A 115 0.472 -6.026 -6.248 1.00 11.67 C ATOM 1094 NE2 HIS A 115 -0.612 -6.763 -6.347 1.00 13.09 N ATOM 1095 H HIS A 115 1.787 -8.734 -11.601 1.00 0.00 H ATOM 1096 N TYR A 116 1.234 -4.624 -10.168 1.00 9.46 N ATOM 1097 CA TYR A 116 1.829 -3.312 -10.189 1.00 11.52 C ATOM 1098 C TYR A 116 2.907 -3.007 -9.154 1.00 11.46 C ATOM 1099 O TYR A 116 3.672 -2.084 -9.368 1.00 15.46 O ATOM 1100 CB TYR A 116 0.677 -2.241 -10.028 1.00 12.54 C ATOM 1101 CG TYR A 116 0.159 -2.016 -8.616 1.00 14.77 C ATOM 1102 CD1 TYR A 116 -0.513 -3.010 -7.954 1.00 16.87 C ATOM 1103 CD2 TYR A 116 0.446 -0.813 -7.919 1.00 17.71 C ATOM 1104 CE1 TYR A 116 -0.974 -2.854 -6.662 1.00 18.54 C ATOM 1105 CE2 TYR A 116 0.005 -0.641 -6.604 1.00 17.01 C ATOM 1106 CZ TYR A 116 -0.704 -1.695 -5.970 1.00 16.66 C ATOM 1107 OH TYR A 116 -1.229 -1.672 -4.680 1.00 17.83 O ATOM 1108 HH TYR A 116 -1.673 -2.536 -4.490 1.00 0.00 H ATOM 1109 H TYR A 116 0.203 -4.714 -10.061 1.00 0.00 H ATOM 1110 N ASP A 117 2.889 -3.657 -7.988 1.00 9.21 N ATOM 1111 CA ASP A 117 3.821 -3.396 -6.924 1.00 9.24 C ATOM 1112 C ASP A 117 4.671 -4.603 -6.529 1.00 8.48 C ATOM 1113 O ASP A 117 5.413 -4.550 -5.514 1.00 7.18 O ATOM 1114 CB ASP A 117 3.025 -2.863 -5.713 1.00 8.76 C ATOM 1115 CG ASP A 117 3.888 -2.198 -4.651 1.00 9.24 C ATOM 1116 OD1 ASP A 117 4.699 -1.324 -5.042 1.00 9.89 O ATOM 1117 OD2 ASP A 117 3.830 -2.528 -3.446 1.00 12.46 O ATOM 1118 H ASP A 117 2.165 -4.389 -7.842 1.00 0.00 H ATOM 1119 N MET A 118 4.615 -5.726 -7.288 1.00 7.51 N ATOM 1120 CA MET A 118 5.303 -6.905 -6.824 1.00 8.15 C ATOM 1121 C MET A 118 6.822 -6.725 -6.705 1.00 7.93 C ATOM 1122 O MET A 118 7.425 -7.389 -5.874 1.00 8.59 O ATOM 1123 CB MET A 118 5.034 -8.113 -7.723 1.00 7.79 C ATOM 1124 CG MET A 118 5.488 -7.974 -9.161 1.00 7.58 C ATOM 1125 SD MET A 118 5.085 -9.452 -10.159 1.00 9.00 S ATOM 1126 CE MET A 118 6.201 -10.671 -9.418 1.00 7.99 C ATOM 1127 H MET A 118 4.088 -5.736 -8.184 1.00 0.00 H ATOM 1128 N LYS A 119 7.437 -5.893 -7.526 1.00 7.60 N ATOM 1129 CA LYS A 119 8.914 -5.767 -7.483 1.00 8.58 C ATOM 1130 C LYS A 119 9.344 -5.004 -6.250 1.00 8.98 C ATOM 1131 O LYS A 119 10.606 -4.880 -5.961 1.00 8.25 O ATOM 1132 CB LYS A 119 9.409 -5.080 -8.738 1.00 8.87 C ATOM 1133 CG LYS A 119 9.133 -5.849 -10.007 1.00 9.09 C ATOM 1134 CD LYS A 119 9.807 -5.134 -11.157 1.00 10.00 C ATOM 1135 CE LYS A 119 9.844 -5.979 -12.422 1.00 10.62 C ATOM 1136 NZ LYS A 119 10.351 -5.179 -13.561 1.00 13.10 N ATOM 1137 HZ1 LYS A 119 9.725 -4.363 -13.716 1.00 0.00 H ATOM 1138 HZ2 LYS A 119 11.312 -4.845 -13.347 1.00 0.00 H ATOM 1139 HZ3 LYS A 119 10.370 -5.770 -14.417 1.00 0.00 H ATOM 1140 H LYS A 119 6.886 -5.327 -8.202 1.00 0.00 H ATOM 1141 N ASN A 120 8.352 -4.556 -5.470 1.00 7.66 N ATOM 1142 CA ASN A 120 8.715 -3.923 -4.167 1.00 8.64 C ATOM 1143 C ASN A 120 8.310 -4.670 -2.914 1.00 8.40 C ATOM 1144 O ASN A 120 8.471 -4.146 -1.815 1.00 9.65 O ATOM 1145 CB ASN A 120 8.104 -2.507 -4.067 1.00 9.39 C ATOM 1146 CG ASN A 120 8.453 -1.681 -5.234 1.00 10.59 C ATOM 1147 OD1 ASN A 120 9.646 -1.522 -5.581 1.00 11.79 O ATOM 1148 ND2 ASN A 120 7.457 -1.243 -5.930 1.00 10.54 N ATOM 1149 HD22 ASN A 120 6.483 -1.400 -5.600 1.00 0.00 H ATOM 1150 HD21 ASN A 120 7.629 -0.734 -6.820 1.00 0.00 H ATOM 1151 H ASN A 120 7.358 -4.646 -5.763 1.00 0.00 H ATOM 1152 N ARG A 121 7.908 -5.894 -3.051 1.00 7.81 N ATOM 1153 CA ARG A 121 7.323 -6.687 -2.001 1.00 8.17 C ATOM 1154 C ARG A 121 8.140 -7.969 -1.810 1.00 7.41 C ATOM 1155 O ARG A 121 7.999 -8.862 -2.563 1.00 8.43 O ATOM 1156 CB ARG A 121 5.897 -7.054 -2.364 1.00 8.14 C ATOM 1157 CG ARG A 121 4.987 -5.833 -2.364 1.00 8.40 C ATOM 1158 CD ARG A 121 3.569 -6.210 -2.728 1.00 8.29 C ATOM 1159 NE ARG A 121 2.714 -5.045 -2.895 1.00 9.56 N ATOM 1160 CZ ARG A 121 1.410 -5.105 -2.942 1.00 9.09 C ATOM 1161 NH1 ARG A 121 0.790 -6.250 -2.834 1.00 8.54 N ATOM 1162 NH2 ARG A 121 0.739 -3.999 -3.076 1.00 9.03 N ATOM 1163 HE ARG A 121 3.166 -4.112 -2.982 1.00 0.00 H ATOM 1164 HH12 ARG A 121 -0.249 -6.285 -2.873 1.00 0.00 H ATOM 1165 HH11 ARG A 121 1.335 -7.127 -2.709 1.00 0.00 H ATOM 1166 HH22 ARG A 121 -0.300 -4.023 -3.116 1.00 0.00 H ATOM 1167 HH21 ARG A 121 1.241 -3.091 -3.143 1.00 0.00 H ATOM 1168 H ARG A 121 8.016 -6.336 -3.986 1.00 0.00 H ATOM 1169 N GLY A 122 8.963 -8.014 -0.764 1.00 8.54 N ATOM 1170 CA GLY A 122 9.683 -9.243 -0.454 1.00 7.88 C ATOM 1171 C GLY A 122 8.755 -10.432 -0.247 1.00 8.03 C ATOM 1172 O GLY A 122 9.128 -11.576 -0.592 1.00 8.09 O ATOM 1173 H GLY A 122 9.092 -7.172 -0.168 1.00 0.00 H ATOM 1174 N PHE A 123 7.556 -10.187 0.266 1.00 7.40 N ATOM 1175 CA PHE A 123 6.621 -11.349 0.470 1.00 7.85 C ATOM 1176 C PHE A 123 6.077 -11.980 -0.761 1.00 7.70 C ATOM 1177 O PHE A 123 5.527 -13.086 -0.631 1.00 7.79 O ATOM 1178 CB PHE A 123 5.519 -11.025 1.479 1.00 7.77 C ATOM 1179 CG PHE A 123 4.507 -10.009 1.009 1.00 7.94 C ATOM 1180 CD1 PHE A 123 3.494 -10.368 0.089 1.00 8.91 C ATOM 1181 CD2 PHE A 123 4.548 -8.699 1.479 1.00 9.58 C ATOM 1182 CE1 PHE A 123 2.542 -9.429 -0.328 1.00 9.25 C ATOM 1183 CE2 PHE A 123 3.586 -7.754 1.035 1.00 10.25 C ATOM 1184 CZ PHE A 123 2.636 -8.119 0.117 1.00 9.98 C ATOM 1185 H PHE A 123 7.270 -9.220 0.520 1.00 0.00 H ATOM 1186 N MET A 124 6.210 -11.310 -1.904 1.00 8.26 N ATOM 1187 CA MET A 124 5.957 -11.872 -3.234 1.00 8.23 C ATOM 1188 C MET A 124 7.263 -12.371 -3.851 1.00 8.01 C ATOM 1189 O MET A 124 7.378 -13.504 -4.302 1.00 7.36 O ATOM 1190 CB MET A 124 5.323 -10.816 -4.078 1.00 8.96 C ATOM 1191 CG MET A 124 3.887 -10.526 -3.746 1.00 9.78 C ATOM 1192 SD MET A 124 3.174 -9.337 -4.879 1.00 12.16 S ATOM 1193 CE MET A 124 1.393 -9.656 -4.560 1.00 11.88 C ATOM 1194 H MET A 124 6.515 -10.317 -1.849 1.00 0.00 H ATOM 1195 N LEU A 125 8.308 -11.566 -3.836 1.00 6.97 N ATOM 1196 CA LEU A 125 9.461 -11.964 -4.617 1.00 7.08 C ATOM 1197 C LEU A 125 10.235 -13.134 -4.042 1.00 6.73 C ATOM 1198 O LEU A 125 10.767 -13.888 -4.808 1.00 6.57 O ATOM 1199 CB LEU A 125 10.419 -10.783 -4.730 1.00 8.16 C ATOM 1200 CG LEU A 125 9.927 -9.564 -5.479 1.00 8.87 C ATOM 1201 CD1 LEU A 125 11.047 -8.562 -5.518 1.00 10.73 C ATOM 1202 CD2 LEU A 125 9.462 -9.837 -6.885 1.00 9.64 C ATOM 1203 H LEU A 125 8.304 -10.683 -3.287 1.00 0.00 H ATOM 1204 N TRP A 126 10.362 -13.247 -2.711 1.00 7.14 N ATOM 1205 CA TRP A 126 11.126 -14.410 -2.114 1.00 8.16 C ATOM 1206 C TRP A 126 10.511 -15.756 -2.384 1.00 7.75 C ATOM 1207 O TRP A 126 11.195 -16.670 -2.886 1.00 7.26 O ATOM 1208 CB TRP A 126 11.405 -14.179 -0.598 1.00 8.64 C ATOM 1209 CG TRP A 126 12.532 -13.226 -0.274 1.00 10.78 C ATOM 1210 CD1 TRP A 126 12.453 -12.043 0.333 1.00 13.13 C ATOM 1211 CD2 TRP A 126 13.910 -13.438 -0.586 1.00 11.64 C ATOM 1212 NE1 TRP A 126 13.707 -11.458 0.445 1.00 14.71 N ATOM 1213 CE2 TRP A 126 14.629 -12.300 -0.110 1.00 13.53 C ATOM 1214 CE3 TRP A 126 14.592 -14.447 -1.274 1.00 12.21 C ATOM 1215 CZ2 TRP A 126 15.994 -12.177 -0.276 1.00 15.42 C ATOM 1216 CZ3 TRP A 126 15.979 -14.352 -1.417 1.00 15.00 C ATOM 1217 CH2 TRP A 126 16.650 -13.221 -0.914 1.00 15.42 C ATOM 1218 HE1 TRP A 126 13.910 -10.535 0.878 1.00 0.00 H ATOM 1219 H TRP A 126 9.934 -12.533 -2.087 1.00 0.00 H ATOM 1220 N PRO A 127 9.198 -15.919 -2.184 1.00 8.11 N ATOM 1221 CA PRO A 127 8.571 -17.170 -2.628 1.00 7.29 C ATOM 1222 C PRO A 127 8.617 -17.422 -4.145 1.00 7.49 C ATOM 1223 O PRO A 127 8.708 -18.602 -4.592 1.00 7.52 O ATOM 1224 CB PRO A 127 7.172 -17.086 -2.050 1.00 7.76 C ATOM 1225 CG PRO A 127 7.029 -15.837 -1.338 1.00 8.71 C ATOM 1226 CD PRO A 127 8.197 -15.022 -1.537 1.00 8.06 C ATOM 1227 N LEU A 128 8.458 -16.362 -4.940 1.00 7.22 N ATOM 1228 CA LEU A 128 8.645 -16.435 -6.359 1.00 6.94 C ATOM 1229 C LEU A 128 10.068 -16.957 -6.735 1.00 7.31 C ATOM 1230 O LEU A 128 10.213 -17.833 -7.596 1.00 7.66 O ATOM 1231 CB LEU A 128 8.410 -15.079 -7.000 1.00 7.01 C ATOM 1232 CG LEU A 128 8.372 -15.115 -8.541 1.00 7.84 C ATOM 1233 CD1 LEU A 128 7.363 -16.134 -9.018 1.00 8.39 C ATOM 1234 CD2 LEU A 128 8.087 -13.723 -9.091 1.00 8.00 C ATOM 1235 H LEU A 128 8.189 -15.452 -4.515 1.00 0.00 H ATOM 1236 N PHE A 129 11.089 -16.400 -6.139 1.00 8.03 N ATOM 1237 CA PHE A 129 12.473 -16.905 -6.376 1.00 8.18 C ATOM 1238 C PHE A 129 12.642 -18.337 -5.980 1.00 8.26 C ATOM 1239 O PHE A 129 13.442 -19.074 -6.634 1.00 8.08 O ATOM 1240 CB PHE A 129 13.466 -15.980 -5.733 1.00 9.44 C ATOM 1241 CG PHE A 129 14.856 -16.462 -5.820 1.00 9.94 C ATOM 1242 CD1 PHE A 129 15.588 -16.194 -6.946 1.00 11.48 C ATOM 1243 CD2 PHE A 129 15.465 -17.043 -4.720 1.00 11.13 C ATOM 1244 CE1 PHE A 129 16.892 -16.594 -7.083 1.00 11.07 C ATOM 1245 CE2 PHE A 129 16.799 -17.494 -4.848 1.00 11.71 C ATOM 1246 CZ PHE A 129 17.474 -17.219 -6.055 1.00 10.23 C ATOM 1247 H PHE A 129 10.936 -15.598 -5.494 1.00 0.00 H ATOM 1248 N GLU A 130 11.972 -18.779 -4.930 1.00 7.73 N ATOM 1249 CA GLU A 130 12.143 -20.119 -4.484 1.00 8.53 C ATOM 1250 C GLU A 130 11.672 -21.090 -5.550 1.00 9.52 C ATOM 1251 O GLU A 130 12.309 -22.100 -5.742 1.00 9.99 O ATOM 1252 CB GLU A 130 11.393 -20.343 -3.139 1.00 10.16 C ATOM 1253 CG GLU A 130 11.455 -21.787 -2.625 1.00 10.41 C ATOM 1254 CD GLU A 130 10.741 -21.975 -1.349 1.00 11.20 C ATOM 1255 OE1 GLU A 130 9.916 -21.115 -0.957 1.00 11.07 O ATOM 1256 OE2 GLU A 130 11.057 -22.985 -0.687 1.00 12.50 O ATOM 1257 H GLU A 130 11.318 -18.145 -4.428 1.00 0.00 H ATOM 1258 N ILE A 131 10.573 -20.750 -6.228 1.00 8.80 N ATOM 1259 CA ILE A 131 9.979 -21.596 -7.301 1.00 10.39 C ATOM 1260 C ILE A 131 10.467 -21.288 -8.719 1.00 9.86 C ATOM 1261 O ILE A 131 10.390 -22.102 -9.607 1.00 12.03 O ATOM 1262 CB ILE A 131 8.429 -21.626 -7.238 1.00 11.18 C ATOM 1263 CG1 ILE A 131 7.792 -20.288 -7.643 1.00 11.42 C ATOM 1264 CG2 ILE A 131 7.922 -22.078 -5.852 1.00 12.73 C ATOM 1265 CD1 ILE A 131 6.242 -20.353 -7.580 1.00 12.81 C ATOM 1266 H ILE A 131 10.108 -19.849 -5.995 1.00 0.00 H ATOM 1267 N ALA A 132 11.062 -20.131 -8.907 1.00 9.01 N ATOM 1268 CA ALA A 132 11.459 -19.687 -10.218 1.00 8.94 C ATOM 1269 C ALA A 132 12.711 -18.830 -10.120 1.00 8.61 C ATOM 1270 O ALA A 132 12.694 -17.680 -10.519 1.00 8.94 O ATOM 1271 CB ALA A 132 10.357 -18.991 -10.940 1.00 10.69 C ATOM 1272 H ALA A 132 11.251 -19.520 -8.087 1.00 0.00 H ATOM 1273 N PRO A 133 13.843 -19.430 -9.760 1.00 8.46 N ATOM 1274 CA PRO A 133 15.040 -18.620 -9.615 1.00 8.75 C ATOM 1275 C PRO A 133 15.589 -17.934 -10.854 1.00 9.17 C ATOM 1276 O PRO A 133 16.297 -16.919 -10.769 1.00 8.60 O ATOM 1277 CB PRO A 133 16.092 -19.620 -9.079 1.00 8.80 C ATOM 1278 CG PRO A 133 15.515 -20.961 -9.333 1.00 8.60 C ATOM 1279 CD PRO A 133 14.028 -20.795 -9.270 1.00 9.12 C ATOM 1280 N GLU A 134 15.219 -18.480 -12.027 1.00 10.45 N ATOM 1281 CA GLU A 134 15.711 -18.055 -13.284 1.00 11.73 C ATOM 1282 C GLU A 134 14.754 -17.063 -13.927 1.00 10.92 C ATOM 1283 O GLU A 134 15.010 -16.620 -15.037 1.00 12.18 O ATOM 1284 CB GLU A 134 15.983 -19.258 -14.192 1.00 14.17 C ATOM 1285 CG GLU A 134 16.738 -20.430 -13.544 1.00 17.31 C ATOM 1286 CD GLU A 134 18.224 -20.212 -13.353 1.00 25.65 C ATOM 1287 OE1 GLU A 134 18.802 -19.176 -13.819 1.00 29.91 O ATOM 1288 OE2 GLU A 134 18.845 -21.082 -12.685 1.00 28.42 O ATOM 1289 H GLU A 134 14.531 -19.260 -12.009 1.00 0.00 H ATOM 1290 N LEU A 135 13.741 -16.570 -13.181 1.00 10.07 N ATOM 1291 CA LEU A 135 12.745 -15.740 -13.792 1.00 10.31 C ATOM 1292 C LEU A 135 13.260 -14.405 -14.316 1.00 9.69 C ATOM 1293 O LEU A 135 13.979 -13.686 -13.628 1.00 9.31 O ATOM 1294 CB LEU A 135 11.610 -15.466 -12.798 1.00 11.01 C ATOM 1295 CG LEU A 135 10.304 -14.878 -13.364 1.00 11.10 C ATOM 1296 CD1 LEU A 135 9.099 -15.578 -12.743 1.00 11.74 C ATOM 1297 CD2 LEU A 135 10.222 -13.367 -13.144 1.00 12.26 C ATOM 1298 H LEU A 135 13.684 -16.792 -12.167 1.00 0.00 H ATOM 1299 N VAL A 136 12.756 -14.066 -15.490 1.00 10.33 N ATOM 1300 CA VAL A 136 12.976 -12.800 -16.136 1.00 10.65 C ATOM 1301 C VAL A 136 11.610 -12.188 -16.353 1.00 9.90 C ATOM 1302 O VAL A 136 10.694 -12.806 -16.960 1.00 10.73 O ATOM 1303 CB VAL A 136 13.713 -12.962 -17.464 1.00 10.62 C ATOM 1304 CG1 VAL A 136 13.879 -11.639 -18.194 1.00 11.19 C ATOM 1305 CG2 VAL A 136 15.117 -13.543 -17.210 1.00 11.22 C ATOM 1306 H VAL A 136 12.159 -14.763 -15.980 1.00 0.00 H ATOM 1307 N PHE A 137 11.450 -10.984 -15.860 1.00 8.74 N ATOM 1308 CA PHE A 137 10.179 -10.190 -16.046 1.00 9.36 C ATOM 1309 C PHE A 137 9.961 -9.754 -17.474 1.00 9.54 C ATOM 1310 O PHE A 137 10.902 -9.766 -18.271 1.00 8.49 O ATOM 1311 CB PHE A 137 10.311 -8.953 -15.126 1.00 9.57 C ATOM 1312 CG PHE A 137 10.059 -9.276 -13.704 1.00 8.66 C ATOM 1313 CD1 PHE A 137 8.795 -9.310 -13.215 1.00 9.00 C ATOM 1314 CD2 PHE A 137 11.100 -9.580 -12.844 1.00 9.44 C ATOM 1315 CE1 PHE A 137 8.553 -9.639 -11.858 1.00 9.97 C ATOM 1316 CE2 PHE A 137 10.860 -9.922 -11.555 1.00 9.38 C ATOM 1317 CZ PHE A 137 9.615 -9.916 -11.040 1.00 9.82 C ATOM 1318 H PHE A 137 12.230 -10.558 -15.319 1.00 0.00 H ATOM 1319 N PRO A 138 8.688 -9.372 -17.889 1.00 8.78 N ATOM 1320 CA PRO A 138 8.452 -8.900 -19.250 1.00 9.18 C ATOM 1321 C PRO A 138 9.386 -7.807 -19.716 1.00 9.42 C ATOM 1322 O PRO A 138 9.627 -7.706 -20.933 1.00 10.08 O ATOM 1323 CB PRO A 138 7.004 -8.355 -19.151 1.00 9.65 C ATOM 1324 CG PRO A 138 6.355 -9.335 -18.184 1.00 9.97 C ATOM 1325 CD PRO A 138 7.437 -9.448 -17.141 1.00 9.51 C ATOM 1326 N ASP A 139 9.787 -6.948 -18.818 1.00 9.82 N ATOM 1327 CA ASP A 139 10.694 -5.817 -19.157 1.00 10.03 C ATOM 1328 C ASP A 139 12.175 -6.269 -19.155 1.00 9.33 C ATOM 1329 O ASP A 139 13.044 -5.367 -19.183 1.00 11.05 O ATOM 1330 CB ASP A 139 10.451 -4.633 -18.227 1.00 11.42 C ATOM 1331 CG ASP A 139 10.908 -4.865 -16.796 1.00 12.36 C ATOM 1332 OD1 ASP A 139 11.194 -6.020 -16.429 1.00 10.81 O ATOM 1333 OD2 ASP A 139 10.905 -3.832 -16.020 1.00 14.25 O ATOM 1334 H ASP A 139 9.463 -7.057 -17.836 1.00 0.00 H ATOM 1335 N GLY A 140 12.485 -7.565 -19.103 1.00 8.52 N ATOM 1336 CA GLY A 140 13.890 -8.022 -19.096 1.00 8.75 C ATOM 1337 C GLY A 140 14.555 -7.974 -17.716 1.00 9.13 C ATOM 1338 O GLY A 140 15.615 -8.534 -17.570 1.00 10.45 O ATOM 1339 H GLY A 140 11.721 -8.270 -19.067 1.00 0.00 H ATOM 1340 N GLU A 141 13.940 -7.405 -16.680 1.00 9.54 N ATOM 1341 CA GLU A 141 14.606 -7.390 -15.369 1.00 10.66 C ATOM 1342 C GLU A 141 14.666 -8.784 -14.820 1.00 10.69 C ATOM 1343 O GLU A 141 13.726 -9.537 -14.940 1.00 8.88 O ATOM 1344 CB GLU A 141 13.928 -6.442 -14.383 1.00 12.21 C ATOM 1345 CG GLU A 141 14.851 -5.996 -13.286 1.00 14.69 C ATOM 1346 CD GLU A 141 14.228 -4.899 -12.461 1.00 16.65 C ATOM 1347 OE1 GLU A 141 13.008 -4.551 -12.609 1.00 16.88 O ATOM 1348 OE2 GLU A 141 14.977 -4.338 -11.667 1.00 19.29 O ATOM 1349 H GLU A 141 13.000 -6.976 -16.797 1.00 0.00 H ATOM 1350 N MET A 142 15.818 -9.150 -14.304 1.00 10.24 N ATOM 1351 CA MET A 142 15.981 -10.455 -13.648 1.00 11.01 C ATOM 1352 C MET A 142 15.576 -10.465 -12.169 1.00 9.40 C ATOM 1353 O MET A 142 15.992 -9.627 -11.417 1.00 9.43 O ATOM 1354 CB MET A 142 17.428 -10.913 -13.754 1.00 12.66 C ATOM 1355 CG MET A 142 17.780 -11.263 -15.191 1.00 14.50 C ATOM 1356 SD MET A 142 19.551 -11.444 -15.225 1.00 18.42 S ATOM 1357 CE MET A 142 19.840 -12.270 -16.771 1.00 21.30 C ATOM 1358 H MET A 142 16.630 -8.503 -14.361 1.00 0.00 H ATOM 1359 N LEU A 143 14.750 -11.451 -11.777 1.00 8.86 N ATOM 1360 CA LEU A 143 14.353 -11.561 -10.401 1.00 8.46 C ATOM 1361 C LEU A 143 15.568 -11.718 -9.462 1.00 8.54 C ATOM 1362 O LEU A 143 15.573 -11.135 -8.370 1.00 8.89 O ATOM 1363 CB LEU A 143 13.455 -12.759 -10.207 1.00 8.25 C ATOM 1364 CG LEU A 143 12.917 -13.130 -8.868 1.00 9.34 C ATOM 1365 CD1 LEU A 143 12.293 -11.940 -8.140 1.00 10.72 C ATOM 1366 CD2 LEU A 143 11.972 -14.310 -8.946 1.00 9.73 C ATOM 1367 H LEU A 143 14.397 -12.138 -12.474 1.00 0.00 H ATOM 1368 N ARG A 144 16.536 -12.535 -9.871 1.00 8.54 N ATOM 1369 CA ARG A 144 17.776 -12.637 -9.032 1.00 10.13 C ATOM 1370 C ARG A 144 18.425 -11.280 -8.797 1.00 9.07 C ATOM 1371 O ARG A 144 19.002 -10.997 -7.772 1.00 11.05 O ATOM 1372 CB ARG A 144 18.788 -13.499 -9.702 1.00 11.17 C ATOM 1373 CG ARG A 144 19.368 -13.029 -11.003 1.00 12.31 C ATOM 1374 CD ARG A 144 20.338 -14.044 -11.575 1.00 14.30 C ATOM 1375 NE ARG A 144 19.832 -15.285 -12.131 1.00 13.42 N ATOM 1376 CZ ARG A 144 19.288 -15.442 -13.348 1.00 14.39 C ATOM 1377 NH1 ARG A 144 19.126 -14.431 -14.194 1.00 14.98 N ATOM 1378 NH2 ARG A 144 18.936 -16.613 -13.703 1.00 14.94 N ATOM 1379 HE ARG A 144 19.897 -16.132 -11.531 1.00 0.00 H ATOM 1380 HH12 ARG A 144 18.700 -14.598 -15.128 1.00 0.00 H ATOM 1381 HH11 ARG A 144 19.425 -13.473 -13.923 1.00 0.00 H ATOM 1382 HH22 ARG A 144 18.512 -16.767 -14.640 1.00 0.00 H ATOM 1383 HH21 ARG A 144 19.073 -17.416 -13.056 1.00 0.00 H ATOM 1384 H ARG A 144 16.436 -13.087 -10.747 1.00 0.00 H ATOM 1385 N GLN A 145 18.435 -10.418 -9.825 1.00 8.65 N ATOM 1386 CA GLN A 145 19.114 -9.127 -9.701 1.00 8.82 C ATOM 1387 C GLN A 145 18.390 -8.125 -8.759 1.00 9.17 C ATOM 1388 O GLN A 145 19.051 -7.400 -7.982 1.00 9.81 O ATOM 1389 CB GLN A 145 19.344 -8.558 -11.095 1.00 8.57 C ATOM 1390 CG GLN A 145 20.231 -7.295 -11.059 1.00 9.17 C ATOM 1391 CD GLN A 145 21.682 -7.635 -10.745 1.00 10.50 C ATOM 1392 OE1 GLN A 145 22.186 -8.635 -11.204 1.00 10.95 O ATOM 1393 NE2 GLN A 145 22.306 -6.842 -9.941 1.00 12.75 N ATOM 1394 HE22 GLN A 145 21.829 -5.994 -9.573 1.00 0.00 H ATOM 1395 HE21 GLN A 145 23.286 -7.051 -9.661 1.00 0.00 H ATOM 1396 H GLN A 145 17.958 -10.668 -10.715 1.00 0.00 H ATOM 1397 N ILE A 146 17.079 -8.211 -8.748 1.00 9.74 N ATOM 1398 CA ILE A 146 16.284 -7.366 -7.875 1.00 9.19 C ATOM 1399 C ILE A 146 16.582 -7.779 -6.460 1.00 8.55 C ATOM 1400 O ILE A 146 16.842 -6.977 -5.607 1.00 9.57 O ATOM 1401 CB ILE A 146 14.793 -7.541 -8.184 1.00 10.10 C ATOM 1402 CG1 ILE A 146 14.459 -6.964 -9.584 1.00 11.87 C ATOM 1403 CG2 ILE A 146 13.954 -6.888 -7.084 1.00 9.90 C ATOM 1404 CD1 ILE A 146 13.066 -7.261 -10.060 1.00 11.98 C ATOM 1405 H ILE A 146 16.604 -8.893 -9.373 1.00 0.00 H ATOM 1406 N LEU A 147 16.530 -9.066 -6.177 1.00 8.19 N ATOM 1407 CA LEU A 147 16.767 -9.501 -4.860 1.00 9.31 C ATOM 1408 C LEU A 147 18.209 -9.351 -4.441 1.00 8.67 C ATOM 1409 O LEU A 147 18.466 -9.376 -3.224 1.00 10.18 O ATOM 1410 CB LEU A 147 16.373 -10.975 -4.701 1.00 9.34 C ATOM 1411 CG LEU A 147 14.848 -11.196 -4.745 1.00 9.22 C ATOM 1412 CD1 LEU A 147 14.608 -12.638 -4.861 1.00 9.31 C ATOM 1413 CD2 LEU A 147 14.131 -10.696 -3.497 1.00 9.88 C ATOM 1414 H LEU A 147 16.315 -9.757 -6.924 1.00 0.00 H ATOM 1415 N HIS A 148 19.147 -9.264 -5.372 1.00 8.74 N ATOM 1416 CA HIS A 148 20.557 -9.125 -4.934 1.00 9.17 C ATOM 1417 C HIS A 148 20.786 -7.684 -4.521 1.00 10.80 C ATOM 1418 O HIS A 148 21.560 -7.428 -3.592 1.00 12.72 O ATOM 1419 CB HIS A 148 21.482 -9.460 -6.064 1.00 9.00 C ATOM 1420 CG HIS A 148 22.852 -9.828 -5.629 1.00 8.86 C ATOM 1421 ND1 HIS A 148 23.882 -8.911 -5.601 1.00 9.56 N ATOM 1422 CD2 HIS A 148 23.397 -11.024 -5.291 1.00 9.48 C ATOM 1423 CE1 HIS A 148 24.984 -9.502 -5.175 1.00 8.99 C ATOM 1424 NE2 HIS A 148 24.745 -10.795 -5.049 1.00 10.13 N ATOM 1425 H HIS A 148 18.902 -9.292 -6.382 1.00 0.00 H ATOM 1426 N THR A 149 20.163 -6.785 -5.249 1.00 12.92 N ATOM 1427 CA THR A 149 20.433 -5.344 -5.216 1.00 14.26 C ATOM 1428 C THR A 149 19.602 -4.587 -4.181 1.00 15.57 C ATOM 1429 O THR A 149 20.113 -3.622 -3.534 1.00 16.34 O ATOM 1430 CB THR A 149 20.172 -4.710 -6.612 1.00 15.57 C ATOM 1431 OG1 THR A 149 21.198 -5.156 -7.510 1.00 22.05 O ATOM 1432 CG2 THR A 149 20.205 -3.108 -6.634 1.00 18.10 C ATOM 1433 HG1 THR A 149 21.171 -6.143 -7.575 1.00 0.00 H ATOM 1434 H THR A 149 19.423 -7.121 -5.898 1.00 0.00 H ATOM 1435 N ARG A 150 18.368 -4.973 -3.995 1.00 16.18 N ATOM 1436 CA ARG A 150 17.443 -4.151 -3.203 1.00 15.11 C ATOM 1437 C ARG A 150 17.194 -4.732 -1.820 1.00 15.70 C ATOM 1438 O ARG A 150 17.169 -5.928 -1.602 1.00 15.31 O ATOM 1439 CB ARG A 150 16.202 -3.957 -4.016 1.00 16.98 C ATOM 1440 CG ARG A 150 16.471 -3.036 -5.219 1.00 19.16 C ATOM 1441 CD ARG A 150 15.257 -2.850 -6.104 1.00 20.57 C ATOM 1442 NE ARG A 150 14.115 -2.472 -5.303 1.00 22.44 N ATOM 1443 CZ ARG A 150 12.851 -2.638 -5.654 1.00 22.62 C ATOM 1444 NH1 ARG A 150 12.553 -3.186 -6.810 1.00 22.64 N ATOM 1445 NH2 ARG A 150 11.879 -2.241 -4.823 1.00 27.13 N ATOM 1446 HE ARG A 150 14.302 -2.035 -4.378 1.00 0.00 H ATOM 1447 HH12 ARG A 150 11.558 -3.315 -7.083 1.00 0.00 H ATOM 1448 HH11 ARG A 150 13.312 -3.491 -7.452 1.00 0.00 H ATOM 1449 HH22 ARG A 150 10.882 -2.368 -5.091 1.00 0.00 H ATOM 1450 HH21 ARG A 150 12.121 -1.806 -3.910 1.00 0.00 H ATOM 1451 H ARG A 150 18.038 -5.868 -4.410 1.00 0.00 H ATOM 1452 N ALA A 151 17.102 -3.843 -0.861 1.00 16.52 N ATOM 1453 CA ALA A 151 16.957 -4.199 0.549 1.00 17.39 C ATOM 1454 C ALA A 151 15.522 -4.696 0.750 1.00 19.99 C ATOM 1455 O ALA A 151 14.565 -4.001 0.425 1.00 21.67 O ATOM 1456 CB ALA A 151 17.232 -2.978 1.422 1.00 17.27 C ATOM 1457 H ALA A 151 17.134 -2.835 -1.116 1.00 0.00 H ATOM 1458 N PHE A 152 15.391 -5.931 1.142 1.00 19.84 N ATOM 1459 CA PHE A 152 14.124 -6.484 1.584 1.00 21.95 C ATOM 1460 C PHE A 152 14.464 -7.155 2.900 1.00 23.85 C ATOM 1461 O PHE A 152 15.502 -7.820 3.029 1.00 31.93 O ATOM 1462 CB PHE A 152 13.563 -7.505 0.577 1.00 21.82 C ATOM 1463 CG PHE A 152 13.177 -6.919 -0.796 1.00 20.50 C ATOM 1464 CD1 PHE A 152 11.980 -6.262 -0.972 1.00 17.56 C ATOM 1465 CD2 PHE A 152 14.038 -7.010 -1.898 1.00 19.81 C ATOM 1466 CE1 PHE A 152 11.637 -5.730 -2.179 1.00 18.08 C ATOM 1467 CE2 PHE A 152 13.695 -6.439 -3.133 1.00 17.20 C ATOM 1468 CZ PHE A 152 12.467 -5.808 -3.263 1.00 18.82 C ATOM 1469 H PHE A 152 16.229 -6.547 1.138 1.00 0.00 H ATOM 1470 N ASP A 153 13.598 -6.977 3.860 1.00 27.39 N ATOM 1471 CA ASP A 153 13.755 -7.705 5.122 1.00 30.69 C ATOM 1472 C ASP A 153 13.826 -9.227 4.834 1.00 29.98 C ATOM 1473 O ASP A 153 13.299 -9.760 3.811 1.00 26.33 O ATOM 1474 CB ASP A 153 12.637 -7.360 6.134 1.00 34.59 C ATOM 1475 CG ASP A 153 12.524 -5.826 6.438 1.00 39.03 C ATOM 1476 OD1 ASP A 153 13.574 -5.130 6.609 1.00 40.89 O ATOM 1477 OD2 ASP A 153 11.362 -5.327 6.499 1.00 43.00 O ATOM 1478 H ASP A 153 12.801 -6.322 3.730 1.00 0.00 H ATOM 1479 N LYS A 154 14.500 -9.913 5.746 1.00 28.63 N ATOM 1480 CA LYS A 154 14.629 -11.369 5.709 1.00 26.31 C ATOM 1481 C LYS A 154 13.225 -11.960 5.984 1.00 23.64 C ATOM 1482 O LYS A 154 12.546 -11.506 6.915 1.00 22.58 O ATOM 1483 CB LYS A 154 15.630 -11.810 6.791 1.00 27.11 C ATOM 1484 CG LYS A 154 15.813 -13.311 6.997 1.00 29.30 C ATOM 1485 CD LYS A 154 16.833 -13.618 8.101 1.00 30.65 C ATOM 1486 CE LYS A 154 16.769 -15.092 8.576 1.00 31.25 C ATOM 1487 NZ LYS A 154 17.348 -15.478 9.920 1.00 32.56 N ATOM 1488 HZ1 LYS A 154 18.363 -15.251 9.937 1.00 0.00 H ATOM 1489 HZ2 LYS A 154 16.860 -14.949 10.671 1.00 0.00 H ATOM 1490 HZ3 LYS A 154 17.217 -16.498 10.072 1.00 0.00 H ATOM 1491 H LYS A 154 14.957 -9.393 6.522 1.00 0.00 H ATOM 1492 N LEU A 155 12.835 -12.956 5.195 1.00 22.45 N ATOM 1493 CA LEU A 155 11.555 -13.647 5.356 1.00 24.06 C ATOM 1494 C LEU A 155 11.756 -14.921 6.166 1.00 22.60 C ATOM 1495 O LEU A 155 12.702 -15.665 5.948 1.00 22.91 O ATOM 1496 CB LEU A 155 10.962 -14.028 3.992 1.00 25.36 C ATOM 1497 CG LEU A 155 10.216 -13.061 3.064 1.00 27.73 C ATOM 1498 CD1 LEU A 155 9.171 -13.783 2.229 1.00 28.37 C ATOM 1499 CD2 LEU A 155 9.605 -11.902 3.825 1.00 26.95 C ATOM 1500 H LEU A 155 13.469 -13.258 4.428 1.00 0.00 H ATOM 1501 N ASN A 156 10.856 -15.182 7.093 1.00 18.17 N ATOM 1502 CA ASN A 156 10.931 -16.399 7.861 1.00 17.60 C ATOM 1503 C ASN A 156 9.842 -17.293 7.445 1.00 15.94 C ATOM 1504 O ASN A 156 8.729 -16.845 7.214 1.00 14.61 O ATOM 1505 CB ASN A 156 10.800 -16.115 9.366 1.00 19.92 C ATOM 1506 CG ASN A 156 12.020 -15.366 9.946 1.00 21.77 C ATOM 1507 OD1 ASN A 156 11.908 -14.177 10.289 1.00 29.32 O ATOM 1508 ND2 ASN A 156 13.168 -16.026 9.975 1.00 25.04 N ATOM 1509 HD22 ASN A 156 13.203 -17.021 9.676 1.00 0.00 H ATOM 1510 HD21 ASN A 156 14.034 -15.549 10.297 1.00 0.00 H ATOM 1511 H ASN A 156 10.087 -14.505 7.271 1.00 0.00 H ATOM 1512 N LYS A 157 10.100 -18.595 7.475 1.00 17.10 N ATOM 1513 CA LYS A 157 9.076 -19.552 7.093 1.00 17.23 C ATOM 1514 C LYS A 157 8.036 -19.712 8.209 1.00 16.25 C ATOM 1515 O LYS A 157 8.293 -19.424 9.390 1.00 18.27 O ATOM 1516 CB LYS A 157 9.700 -20.882 6.671 1.00 20.35 C ATOM 1517 CG LYS A 157 10.516 -20.778 5.376 1.00 22.91 C ATOM 1518 CD LYS A 157 11.267 -22.077 5.039 1.00 28.05 C ATOM 1519 CE LYS A 157 12.431 -21.835 4.070 1.00 32.63 C ATOM 1520 NZ LYS A 157 12.043 -21.820 2.621 1.00 38.54 N ATOM 1521 HZ1 LYS A 157 11.623 -22.737 2.366 1.00 0.00 H ATOM 1522 HZ2 LYS A 157 11.350 -21.062 2.457 1.00 0.00 H ATOM 1523 HZ3 LYS A 157 12.888 -21.651 2.039 1.00 0.00 H ATOM 1524 H LYS A 157 11.038 -18.931 7.773 1.00 0.00 H ATOM 1525 N TRP A 158 6.844 -20.181 7.854 1.00 16.96 N ATOM 1526 CA TRP A 158 5.701 -20.263 8.795 1.00 18.29 C ATOM 1527 C TRP A 158 6.091 -21.275 9.873 1.00 19.62 C ATOM 1528 O TRP A 158 6.009 -21.002 11.087 1.00 19.45 O ATOM 1529 CB TRP A 158 4.454 -20.657 7.989 1.00 18.34 C ATOM 1530 CG TRP A 158 3.192 -20.703 8.735 1.00 17.86 C ATOM 1531 CD1 TRP A 158 2.641 -21.796 9.306 1.00 17.70 C ATOM 1532 CD2 TRP A 158 2.297 -19.639 8.980 1.00 16.50 C ATOM 1533 NE1 TRP A 158 1.449 -21.503 9.851 1.00 17.27 N ATOM 1534 CE2 TRP A 158 1.187 -20.181 9.669 1.00 17.55 C ATOM 1535 CE3 TRP A 158 2.269 -18.288 8.638 1.00 17.87 C ATOM 1536 CZ2 TRP A 158 0.107 -19.399 10.064 1.00 17.83 C ATOM 1537 CZ3 TRP A 158 1.209 -17.541 9.042 1.00 16.36 C ATOM 1538 CH2 TRP A 158 0.155 -18.081 9.749 1.00 16.51 C ATOM 1539 OXT TRP A 158 6.645 -22.322 9.529 1.00 21.54 O ATOM 1540 HE1 TRP A 158 0.825 -22.180 10.335 1.00 0.00 H ATOM 1541 H TRP A 158 6.707 -20.504 6.875 1.00 0.00 H TER 1542 TRP A 158 HETATM 1543 CA CA A 1 -5.898 -9.324 -4.364 1.00 7.91 CA HETATM 1544 CA CA A 2 -2.682 -8.546 -2.517 1.00 9.38 CA HETATM 1545 NA NA A 3 -6.839 -0.969 10.367 1.00 9.59 NA HETATM 1546 NA NA A 4 -6.573 -28.286 -13.288 1.00 17.35 NA HETATM 1547 O HOH 5 -11.639 -22.995 -22.986 1.00 16.00 O HETATM 1548 O HOH 6 -3.710 -6.734 -7.182 1.00 18.64 O HETATM 1549 O HOH 7 -0.949 -27.566 -17.890 1.00 18.60 O HETATM 1550 O HOH 8 10.032 -1.516 -15.610 1.00 17.48 O HETATM 1551 O HOH 9 20.603 -19.379 -12.031 1.00 18.23 O HETATM 1552 O HOH 10 12.461 -1.827 -15.903 1.00 17.46 O HETATM 1553 O HOH 11 8.056 -23.140 -10.972 1.00 18.63 O HETATM 1554 O HOH 12 8.085 -28.061 -9.927 1.00 9.92 O HETATM 1555 O HOH 13 -3.217 -7.592 -0.403 1.00 16.91 O HETATM 1556 O HOH 14 -6.447 0.872 5.642 1.00 18.39 O HETATM 1557 O HOH 15 5.677 -8.915 -23.178 1.00 18.02 O HETATM 1558 O HOH 16 13.902 -1.673 -0.549 1.00 25.32 O HETATM 1559 O HOH 17 -9.912 -26.807 -1.005 1.00 22.59 O HETATM 1560 O HOH 18 9.149 -13.173 7.779 1.00 29.57 O HETATM 1561 O HOH 19 -8.075 -13.137 -7.349 1.00 6.85 O HETATM 1562 O HOH 20 17.076 -8.513 -0.955 1.00 20.60 O HETATM 1563 O HOH 21 -4.960 -26.633 -11.742 1.00 23.12 O HETATM 1564 O HOH 22 7.940 -17.788 11.488 1.00 16.81 O HETATM 1565 O HOH 23 -17.194 -14.910 0.702 1.00 23.10 O HETATM 1566 O HOH 24 17.455 -4.888 -10.760 1.00 24.32 O HETATM 1567 O HOH 25 8.398 -9.368 -22.689 1.00 17.06 O HETATM 1568 O HOH 26 -11.008 -6.980 6.143 1.00 25.56 O HETATM 1569 O HOH 27 -4.747 -15.084 11.741 1.00 22.07 O HETATM 1570 O HOH 28 17.296 -9.924 -19.190 1.00 19.70 O HETATM 1571 O HOH 29 -11.611 -23.429 -1.855 1.00 20.39 O HETATM 1572 O HOH 30 14.680 -13.303 3.217 1.00 26.03 O HETATM 1573 O HOH 31 -13.161 -23.098 -4.212 1.00 17.88 O HETATM 1574 O HOH 32 -13.510 -21.616 -17.013 1.00 26.42 O HETATM 1575 O HOH 33 4.525 -8.711 13.079 1.00 19.46 O HETATM 1576 O HOH 34 -1.901 -14.928 11.337 1.00 17.30 O HETATM 1577 O HOH 35 3.177 -11.407 -17.104 1.00 10.29 O HETATM 1578 O HOH 36 -7.512 -10.784 -5.222 1.00 7.80 O HETATM 1579 O HOH 37 19.003 -17.250 -10.379 1.00 17.46 O HETATM 1580 O HOH 38 -7.280 -26.746 5.004 1.00 11.84 O HETATM 1581 O HOH 39 -0.114 -12.322 13.934 1.00 18.56 O HETATM 1582 O HOH 40 -11.368 -24.659 -7.852 1.00 14.04 O HETATM 1583 O HOH 41 -6.838 -3.214 -13.316 1.00 31.41 O HETATM 1584 O HOH 42 16.224 -14.435 -11.999 1.00 9.65 O HETATM 1585 O HOH 43 4.847 1.079 -6.429 1.00 17.99 O HETATM 1586 O HOH 44 -2.780 -11.029 0.916 1.00 13.61 O HETATM 1587 O HOH 45 -3.241 -21.476 10.725 1.00 13.20 O HETATM 1588 O HOH 46 -6.461 -30.352 -6.518 1.00 20.19 O HETATM 1589 O HOH 47 5.678 -28.087 -18.451 1.00 31.91 O HETATM 1590 O HOH 48 3.668 -0.613 5.346 1.00 24.03 O HETATM 1591 O HOH 49 0.864 -8.549 13.084 1.00 14.23 O HETATM 1592 O HOH 50 -15.591 -10.340 -1.152 1.00 20.84 O HETATM 1593 O HOH 51 -1.826 -12.465 -2.818 1.00 12.40 O HETATM 1594 O HOH 52 -6.746 -3.247 10.016 1.00 25.82 O HETATM 1595 O HOH 53 -20.421 -21.041 -5.662 1.00 16.70 O HETATM 1596 O HOH 54 6.719 -24.239 4.345 1.00 17.09 O HETATM 1597 O HOH 55 11.428 -25.605 -1.849 1.00 24.80 O HETATM 1598 O HOH 56 7.831 -12.878 -17.478 1.00 19.47 O HETATM 1599 O HOH 57 -13.622 -1.605 -21.350 1.00 28.72 O HETATM 1600 O HOH 58 -10.061 -21.213 -22.624 1.00 22.44 O HETATM 1601 O HOH 59 -7.431 -28.276 2.762 1.00 13.53 O HETATM 1602 O HOH 60 2.944 -13.968 -1.682 1.00 11.85 O HETATM 1603 O HOH 61 -8.763 -10.536 -7.635 1.00 9.41 O HETATM 1604 O HOH 62 18.084 -7.287 -14.127 1.00 18.35 O HETATM 1605 O HOH 63 11.323 -16.139 -17.004 1.00 18.27 O HETATM 1606 O HOH 64 -1.679 -4.887 -10.491 1.00 17.05 O HETATM 1607 O HOH 65 1.043 -3.844 -16.706 1.00 23.38 O HETATM 1608 O HOH 66 1.430 -21.333 13.375 1.00 26.35 O HETATM 1609 O HOH 67 -5.901 -7.989 -6.216 1.00 9.32 O HETATM 1610 O HOH 68 -11.244 -12.456 -21.587 1.00 25.71 O HETATM 1611 O HOH 69 6.312 -3.868 -9.476 1.00 17.18 O HETATM 1612 O HOH 70 22.494 -9.137 -1.270 1.00 21.82 O HETATM 1613 O HOH 71 13.617 -20.928 -12.827 1.00 17.33 O HETATM 1614 O HOH 72 7.907 -8.185 2.558 1.00 15.48 O HETATM 1615 O HOH 73 17.279 -0.862 -1.595 1.00 22.46 O HETATM 1616 O HOH 74 -0.769 -9.221 -1.301 1.00 17.18 O HETATM 1617 O HOH 75 -17.819 -23.952 -8.025 1.00 20.27 O HETATM 1618 O HOH 76 13.088 -19.307 8.196 1.00 19.13 O HETATM 1619 O HOH 77 10.696 -2.140 -0.815 1.00 26.00 O HETATM 1620 O HOH 78 9.342 -5.932 1.588 1.00 14.71 O HETATM 1621 O HOH 79 2.321 -8.685 -23.825 1.00 24.99 O HETATM 1622 O HOH 80 6.273 -17.504 -17.030 1.00 21.61 O HETATM 1623 O HOH 81 0.638 -11.863 -1.598 1.00 17.79 O HETATM 1624 O HOH 82 11.088 -25.054 -5.670 1.00 23.82 O HETATM 1625 O HOH 83 3.484 -15.168 -22.969 1.00 28.39 O HETATM 1626 O HOH 84 14.103 -16.210 3.102 1.00 32.26 O HETATM 1627 O HOH 85 5.318 -24.073 11.891 1.00 28.87 O HETATM 1628 O HOH 86 6.591 -8.604 4.929 1.00 19.77 O HETATM 1629 O HOH 87 7.957 -6.129 -15.907 1.00 5.69 O HETATM 1630 O HOH 88 10.446 -1.467 -8.984 1.00 27.62 O HETATM 1631 O HOH 89 19.848 -0.704 -1.613 1.00 27.33 O HETATM 1632 O HOH 90 7.693 -1.350 -9.437 1.00 29.07 O HETATM 1633 O HOH 91 6.780 -4.781 -18.008 1.00 27.19 O HETATM 1634 O HOH 92 9.770 0.506 -1.487 1.00 17.53 O HETATM 1635 C1 UNN A 93 -0.103 -2.349 0.842 1.00 -0.06 C HETATM 1636 C3 UNN A 93 1.027 -1.570 0.984 1.00 -0.03 C HETATM 1637 C6 UNN A 93 2.255 -2.150 0.832 1.00 0.12 C HETATM 1638 C4 UNN A 93 2.332 -3.483 0.544 1.00 -0.03 C HETATM 1639 C2 UNN A 93 1.195 -4.267 0.417 1.00 -0.06 C HETATM 1640 C5 UNN A 93 -0.059 -3.692 0.568 1.00 -0.03 C HETATM 1641 C12 UNN A 93 -1.326 -4.547 0.365 1.00 0.06 C HETATM 1642 S20 UNN A 93 -2.395 -5.263 1.667 1.00 0.02 S HETATM 1643 C9 UNN A 93 -1.268 -6.516 2.180 1.00 0.26 C HETATM 1644 N13 UNN A 93 -1.219 -7.731 1.688 1.00 -0.15 N HETATM 1645 C7 UNN A 93 -0.167 -8.343 2.353 1.00 0.30 C HETATM 1646 C8 UNN A 93 0.392 -7.486 3.283 1.00 0.26 C HETATM 1647 N14 UNN A 93 1.443 -7.666 4.162 1.00 -0.23 N HETATM 1648 C11 UNN A 93 1.910 -8.859 4.024 1.00 0.19 C HETATM 1649 N16 UNN A 93 1.433 -9.795 3.109 1.00 -0.24 N HETATM 1650 C10 UNN A 93 0.333 -9.662 2.196 1.00 0.30 C HETATM 1651 O18 UNN A 93 -0.086 -10.539 1.397 1.00 -0.34 O HETATM 1652 H9 UNN A 93 1.918 -10.669 3.085 1.00 0.18 H HETATM 1653 N17 UNN A 93 2.975 -9.266 4.799 1.00 -0.34 N HETATM 1654 H10 UNN A 93 3.379 -8.625 5.497 1.00 0.18 H HETATM 1655 H11 UNN A 93 3.367 -10.211 4.680 1.00 0.18 H HETATM 1656 H8 UNN A 93 1.797 -6.959 4.822 1.00 0.24 H HETATM 1657 N15 UNN A 93 -0.317 -6.326 3.155 1.00 -0.19 N HETATM 1658 H7 UNN A 93 -1.828 -8.141 0.966 1.00 0.27 H HETATM 1659 H5 UNN A 93 -0.993 -5.408 -0.233 1.00 0.06 H HETATM 1660 H6 UNN A 93 -1.998 -3.919 -0.239 1.00 0.06 H HETATM 1661 H2 UNN A 93 1.286 -5.325 0.201 1.00 0.05 H HETATM 1662 H4 UNN A 93 3.306 -3.939 0.411 1.00 0.06 H HETATM 1663 F19 UNN A 93 3.355 -1.385 0.978 1.00 -0.19 F HETATM 1664 H3 UNN A 93 0.942 -0.514 1.213 1.00 0.06 H HETATM 1665 H1 UNN A 93 -1.072 -1.877 0.952 1.00 0.05 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 243 242 1546 CONECT 269 268 1546 CONECT 441 440 1545 CONECT 442 440 1545 CONECT 902 901 1543 CONECT 903 901 1544 CONECT 920 919 1543 CONECT 921 919 1544 CONECT 1543 902 920 CONECT 1544 903 921 CONECT 1545 441 442 CONECT 1546 243 269 CONECT 1635 1636 1640 1665 CONECT 1636 1635 1637 1664 CONECT 1637 1636 1638 1663 CONECT 1638 1637 1639 1662 CONECT 1639 1638 1640 1661 CONECT 1640 1635 1639 1641 CONECT 1641 1640 1642 1659 1660 CONECT 1642 1641 1643 CONECT 1643 1642 1644 1657 CONECT 1644 1643 1645 1658 CONECT 1645 1644 1646 1650 CONECT 1646 1645 1647 1657 CONECT 1647 1646 1648 1656 CONECT 1648 1647 1649 1653 CONECT 1649 1648 1650 1652 CONECT 1650 1645 1649 1651 CONECT 1651 1650 CONECT 1652 1649 CONECT 1653 1648 1654 1655 CONECT 1654 1653 CONECT 1655 1653 CONECT 1656 1647 CONECT 1657 1643 1646 CONECT 1658 1644 CONECT 1659 1641 CONECT 1660 1641 CONECT 1661 1639 CONECT 1662 1638 CONECT 1663 1637 CONECT 1664 1636 CONECT 1665 1635 MASTER 0 0 0 0 0 0 0 0 1664 1 47 13 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 5etm
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1ex8
RCSB PDB
PDBbind
158aa, >1EX8_1|Chain... at 100%
1ru1
RCSB PDB
PDBbind
152aa, >1RU1_1|Chains... at 99%
1ru2
RCSB PDB
PDBbind
152aa, >1RU2_1|Chain... at 99%
1tmm
RCSB PDB
PDBbind
158aa, >1TMM_1|Chains... at 99%
3ud5
RCSB PDB
PDBbind
158aa, >3UD5_1|Chain... at 100%
3udv
RCSB PDB
PDBbind
158aa, >3UDV_1|Chain... at 100%
4f7v
RCSB PDB
PDBbind
158aa, >4F7V_1|Chain... at 100%
4m5g
RCSB PDB
PDBbind
162aa, >4M5G_1|Chain... *
4m5h
RCSB PDB
PDBbind
162aa, >4M5H_1|Chain... at 100%
4m5i
RCSB PDB
PDBbind
162aa, >4M5I_1|Chain... at 100%
4m5j
RCSB PDB
PDBbind
162aa, >4M5J_1|Chain... at 100%
4m5k
RCSB PDB
PDBbind
162aa, >4M5K_1|Chain... at 100%
4m5l
RCSB PDB
PDBbind
162aa, >4M5L_1|Chain... at 100%
4m5m
RCSB PDB
PDBbind
162aa, >4M5M_1|Chain... at 100%
4m5n
RCSB PDB
PDBbind
162aa, >4M5N_1|Chains... at 100%
5etk
RCSB PDB
PDBbind
162aa, >5ETK_1|Chain... at 99%
5etl
RCSB PDB
PDBbind
162aa, >5ETL_1|Chains... at 99%
5etn
RCSB PDB
PDBbind
162aa, >5ETN_1|Chain... at 99%
5eto
RCSB PDB
PDBbind
162aa, >5ETO_1|Chain... at 99%
5etp
RCSB PDB
PDBbind
162aa, >5ETP_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
5etr
RCSB PDB
PDBbind
5RW
Entry Information
PDB ID
5etm
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
E. coli 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase (EcHPPK)
Ligand Name
5RW
EC.Number
E.C.2.7.6.3
Resolution
1.46(Å)
Affinity (Kd/Ki/IC50)
Kd=3.9uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) J.Med.Chem. Vol. 59: pp. 5248-5263
Ligand Properties
Formula
C
1
2
H
1
1
FN
5
OS
Molecular Weight
292.312
Exact Mass
292.067
No. of atoms
31
No. of bonds
33
Polar Surface Area
127
LOGP Value
2.65 (
Computed with XLOGP3
)
1.66 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 3
Canonical SMILES
Fc1ccc(cc1)CSc1[nH]c2c(n1)[nH+]c([nH]c2=O)N
InChI String
InChI=1S/C12H10FN5OS/c13-7-3-1-6(2-4-7)5-20-12-15-8-9(17-12)16-11(14)18-10(8)19/h1-4H,5H2,(H4,14,15,16,17,18,19)/p+1
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):
P26281
Entrez Gene ID
NCBI Entrez Gene ID:
948792
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝e湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com