Browse entries in the PDBbind-CN Database
HEADER 6F23_COMPLEX COMPND 6F23_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 159 GLY SER HIS MET GLY ALA SER ARG LEU TYR THR LEU VAL SEQRES 2 A 159 LEU VAL LEU GLN PRO GLN ARG VAL LEU LEU GLY MET LYS SEQRES 3 A 159 LYS ARG GLY PHE GLY ALA GLY ARG TRP ASN GLY PHE GLY SEQRES 4 A 159 GLY LYS VAL GLN GLU GLY GLU THR ILE GLU ASP GLY ALA SEQRES 5 A 159 ARG ARG GLU LEU GLN GLU GLU SER GLY LEU THR VAL ASP SEQRES 6 A 159 ALA LEU HIS LYS VAL GLY GLN ILE VAL PHE GLU PHE VAL SEQRES 7 A 159 GLY GLU PRO GLU LEU MET ASP VAL HIS VAL PHE CYS THR SEQRES 8 A 159 ASP SER ILE GLN GLY THR PRO VAL GLU SER ASP GLU MET SEQRES 9 A 159 ARG PRO CYS TRP PHE GLN LEU ASP GLN ILE PRO PHE LYS SEQRES 10 A 159 ASP MET TRP PRO ASP ASP SER TYR TRP PHE PRO LEU LEU SEQRES 11 A 159 LEU GLN LYS LYS LYS PHE HIS GLY TYR PHE LYS PHE GLN SEQRES 12 A 159 GLY GLN ASP THR ILE LEU ASP TYR THR LEU ARG GLU VAL SEQRES 13 A 159 ASP THR VAL HET C A 8Z 37 ATOM 1 N GLY A -2 9.367 6.547 -9.780 1.00 43.04 N ATOM 2 CA GLY A -2 8.919 7.972 -9.940 1.00 44.55 C ATOM 3 C GLY A -2 7.553 8.068 -10.603 1.00 43.16 C ATOM 4 O GLY A -2 6.814 7.073 -10.676 1.00 41.13 O ATOM 5 HN3 GLY A -2 9.427 6.097 -10.715 1.00 0.00 H ATOM 6 HN2 GLY A -2 8.682 6.034 -9.190 1.00 0.00 H ATOM 7 HN1 GLY A -2 10.302 6.528 -9.324 1.00 0.00 H ATOM 8 N SER A -1 7.216 9.254 -11.101 1.00 44.83 N ATOM 9 CA SER A -1 5.872 9.506 -11.662 1.00 43.90 C ATOM 10 C SER A -1 5.816 9.083 -13.126 1.00 43.37 C ATOM 11 O SER A -1 6.812 9.214 -13.855 1.00 45.10 O ATOM 12 CB SER A -1 5.501 10.985 -11.544 1.00 46.08 C ATOM 13 OG SER A -1 6.356 11.783 -12.345 1.00 48.96 O ATOM 14 HG SER A -1 6.272 11.507 -13.292 1.00 0.00 H ATOM 15 H SER A -1 7.916 10.023 -11.096 1.00 0.00 H ATOM 16 N HIS A 0 4.658 8.558 -13.526 1.00 41.02 N ATOM 17 CA HIS A 0 4.366 8.222 -14.914 1.00 40.74 C ATOM 18 C HIS A 0 3.045 8.869 -15.275 1.00 40.70 C ATOM 19 O HIS A 0 1.989 8.479 -14.754 1.00 39.10 O ATOM 20 CB HIS A 0 4.358 6.701 -15.090 1.00 38.66 C ATOM 21 CG HIS A 0 5.644 6.084 -14.650 1.00 38.52 C ATOM 22 ND1 HIS A 0 6.822 6.301 -15.326 1.00 40.27 N ATOM 23 CD2 HIS A 0 5.965 5.390 -13.534 1.00 37.34 C ATOM 24 CE1 HIS A 0 7.810 5.711 -14.678 1.00 40.33 C ATOM 25 NE2 HIS A 0 7.316 5.151 -13.586 1.00 38.45 N ATOM 26 H HIS A 0 3.925 8.379 -12.811 1.00 0.00 H ATOM 27 N MET A 1 3.132 9.887 -16.128 1.00 42.73 N ATOM 28 CA MET A 1 1.989 10.713 -16.470 1.00 43.45 C ATOM 29 C MET A 1 1.101 10.047 -17.506 1.00 42.27 C ATOM 30 O MET A 1 1.568 9.355 -18.426 1.00 41.95 O ATOM 31 CB MET A 1 2.432 12.094 -16.980 1.00 46.66 C ATOM 32 CG MET A 1 3.136 12.952 -15.940 1.00 48.07 C ATOM 33 SD MET A 1 2.062 13.619 -14.649 1.00 47.97 S ATOM 34 CE MET A 1 2.082 12.340 -13.391 1.00 45.15 C ATOM 35 H MET A 1 4.052 10.098 -16.565 1.00 0.00 H ATOM 36 N GLY A 2 -0.194 10.301 -17.337 1.00 41.59 N ATOM 37 CA GLY A 2 -1.211 9.856 -18.273 1.00 41.08 C ATOM 38 C GLY A 2 -2.222 8.970 -17.612 1.00 38.41 C ATOM 39 O GLY A 2 -2.014 8.480 -16.514 1.00 36.88 O ATOM 40 H GLY A 2 -0.490 10.841 -16.499 1.00 0.00 H ATOM 41 N ALA A 3 -3.327 8.767 -18.308 1.00 38.28 N ATOM 42 CA ALA A 3 -4.376 7.885 -17.846 1.00 36.44 C ATOM 43 C ALA A 3 -3.823 6.457 -17.678 1.00 34.38 C ATOM 44 O ALA A 3 -3.061 5.953 -18.521 1.00 34.52 O ATOM 45 CB ALA A 3 -5.556 7.916 -18.819 1.00 37.37 C ATOM 46 H ALA A 3 -3.446 9.257 -19.217 1.00 0.00 H ATOM 47 N SER A 4 -4.161 5.840 -16.551 1.00 32.45 N ATOM 48 CA SER A 4 -3.879 4.443 -16.327 1.00 30.48 C ATOM 49 C SER A 4 -5.170 3.696 -16.038 1.00 29.24 C ATOM 50 O SER A 4 -6.182 4.278 -15.631 1.00 29.32 O ATOM 51 CB SER A 4 -2.909 4.245 -15.169 1.00 29.67 C ATOM 52 OG SER A 4 -3.359 4.953 -14.036 1.00 29.83 O ATOM 53 HG SER A 4 -2.723 4.818 -13.290 1.00 0.00 H ATOM 54 H SER A 4 -4.644 6.382 -15.806 1.00 0.00 H ATOM 55 N ARG A 5 -5.095 2.394 -16.260 1.00 27.90 N ATOM 56 CA ARG A 5 -6.209 1.474 -16.130 1.00 26.87 C ATOM 57 C ARG A 5 -5.817 0.515 -15.021 1.00 24.43 C ATOM 58 O ARG A 5 -4.709 -0.040 -15.066 1.00 23.24 O ATOM 59 CB ARG A 5 -6.368 0.721 -17.457 1.00 28.14 C ATOM 60 CG ARG A 5 -7.497 -0.305 -17.522 1.00 28.47 C ATOM 61 CD ARG A 5 -8.811 0.442 -17.469 1.00 30.28 C ATOM 62 NE ARG A 5 -10.029 -0.364 -17.601 1.00 31.06 N ATOM 63 CZ ARG A 5 -10.543 -1.166 -16.659 1.00 30.54 C ATOM 64 NH1 ARG A 5 -9.905 -1.421 -15.486 1.00 29.05 N ATOM 65 NH2 ARG A 5 -11.722 -1.760 -16.922 1.00 31.30 N ATOM 66 HE ARG A 5 -10.539 -0.308 -18.506 1.00 0.00 H ATOM 67 HH12 ARG A 5 -10.342 -2.051 -14.783 1.00 0.00 H ATOM 68 HH11 ARG A 5 -8.980 -0.987 -15.292 1.00 0.00 H ATOM 69 HH22 ARG A 5 -12.155 -2.390 -16.217 1.00 0.00 H ATOM 70 HH21 ARG A 5 -12.199 -1.589 -17.830 1.00 0.00 H ATOM 71 H ARG A 5 -4.175 2.004 -16.547 1.00 0.00 H ATOM 72 N LEU A 6 -6.694 0.329 -14.032 1.00 23.10 N ATOM 73 CA LEU A 6 -6.435 -0.575 -12.895 1.00 21.66 C ATOM 74 C LEU A 6 -6.563 -2.066 -13.263 1.00 20.50 C ATOM 75 O LEU A 6 -7.528 -2.461 -13.919 1.00 20.61 O ATOM 76 CB LEU A 6 -7.402 -0.306 -11.729 1.00 21.73 C ATOM 77 CG LEU A 6 -7.334 1.034 -11.007 1.00 22.67 C ATOM 78 CD1 LEU A 6 -8.604 1.346 -10.226 1.00 22.94 C ATOM 79 CD2 LEU A 6 -6.121 1.069 -10.097 1.00 22.35 C ATOM 80 H LEU A 6 -7.598 0.843 -14.064 1.00 0.00 H ATOM 81 N TYR A 7 -5.604 -2.866 -12.787 1.00 19.30 N ATOM 82 CA TYR A 7 -5.556 -4.308 -12.931 1.00 18.57 C ATOM 83 C TYR A 7 -5.168 -4.916 -11.605 1.00 17.70 C ATOM 84 O TYR A 7 -4.551 -4.250 -10.750 1.00 17.60 O ATOM 85 CB TYR A 7 -4.506 -4.777 -13.968 1.00 18.57 C ATOM 86 CG TYR A 7 -4.786 -4.424 -15.390 1.00 19.51 C ATOM 87 CD1 TYR A 7 -4.563 -3.144 -15.860 1.00 20.45 C ATOM 88 CD2 TYR A 7 -5.289 -5.396 -16.282 1.00 19.83 C ATOM 89 CE1 TYR A 7 -4.834 -2.810 -17.171 1.00 21.73 C ATOM 90 CE2 TYR A 7 -5.568 -5.082 -17.595 1.00 20.97 C ATOM 91 CZ TYR A 7 -5.343 -3.799 -18.029 1.00 22.04 C ATOM 92 OH TYR A 7 -5.587 -3.498 -19.319 1.00 23.76 O ATOM 93 HH TYR A 7 -5.020 -4.063 -19.901 1.00 0.00 H ATOM 94 H TYR A 7 -4.824 -2.415 -12.268 1.00 0.00 H ATOM 95 N THR A 8 -5.517 -6.185 -11.455 1.00 17.33 N ATOM 96 CA THR A 8 -5.138 -7.006 -10.309 1.00 16.97 C ATOM 97 C THR A 8 -4.346 -8.189 -10.764 1.00 16.88 C ATOM 98 O THR A 8 -4.517 -8.645 -11.882 1.00 17.05 O ATOM 99 CB THR A 8 -6.336 -7.549 -9.533 1.00 17.07 C ATOM 100 OG1 THR A 8 -7.260 -8.223 -10.418 1.00 17.24 O ATOM 101 CG2 THR A 8 -7.015 -6.376 -8.832 1.00 17.61 C ATOM 102 HG1 THR A 8 -7.585 -7.585 -11.102 1.00 0.00 H ATOM 103 H THR A 8 -6.096 -6.623 -12.199 1.00 0.00 H ATOM 104 N LEU A 9 -3.509 -8.695 -9.857 1.00 16.78 N ATOM 105 CA LEU A 9 -2.718 -9.895 -10.073 1.00 16.81 C ATOM 106 C LEU A 9 -2.535 -10.616 -8.736 1.00 16.54 C ATOM 107 O LEU A 9 -2.079 -10.010 -7.772 1.00 16.73 O ATOM 108 CB LEU A 9 -1.357 -9.487 -10.660 1.00 17.29 C ATOM 109 CG LEU A 9 -0.519 -10.586 -11.298 1.00 17.56 C ATOM 110 CD1 LEU A 9 -1.222 -11.351 -12.412 1.00 17.87 C ATOM 111 CD2 LEU A 9 0.726 -9.901 -11.854 1.00 18.11 C ATOM 112 H LEU A 9 -3.417 -8.204 -8.945 1.00 0.00 H ATOM 113 N VAL A 10 -2.985 -11.862 -8.647 1.00 16.51 N ATOM 114 CA VAL A 10 -3.045 -12.562 -7.378 1.00 16.74 C ATOM 115 C VAL A 10 -2.157 -13.781 -7.473 1.00 16.78 C ATOM 116 O VAL A 10 -2.288 -14.555 -8.394 1.00 16.57 O ATOM 117 CB VAL A 10 -4.446 -13.008 -7.047 1.00 17.18 C ATOM 118 CG1 VAL A 10 -4.462 -13.793 -5.739 1.00 17.81 C ATOM 119 CG2 VAL A 10 -5.383 -11.789 -6.955 1.00 17.40 C ATOM 120 H VAL A 10 -3.303 -12.349 -9.509 1.00 0.00 H ATOM 121 N LEU A 11 -1.236 -13.907 -6.527 1.00 17.28 N ATOM 122 CA LEU A 11 -0.367 -15.048 -6.441 1.00 17.58 C ATOM 123 C LEU A 11 -0.743 -15.859 -5.221 1.00 18.12 C ATOM 124 O LEU A 11 -0.644 -15.363 -4.105 1.00 18.94 O ATOM 125 CB LEU A 11 1.107 -14.634 -6.322 1.00 17.90 C ATOM 126 CG LEU A 11 1.784 -14.176 -7.616 1.00 17.88 C ATOM 127 CD1 LEU A 11 1.672 -15.177 -8.736 1.00 17.77 C ATOM 128 CD2 LEU A 11 1.257 -12.837 -8.101 1.00 17.86 C ATOM 129 H LEU A 11 -1.139 -13.151 -5.820 1.00 0.00 H ATOM 130 N VAL A 12 -1.215 -17.082 -5.437 1.00 18.20 N ATOM 131 CA VAL A 12 -1.513 -17.999 -4.330 1.00 18.98 C ATOM 132 C VAL A 12 -0.182 -18.658 -3.988 1.00 19.39 C ATOM 133 O VAL A 12 0.281 -19.481 -4.746 1.00 19.52 O ATOM 134 CB VAL A 12 -2.539 -19.057 -4.756 1.00 19.34 C ATOM 135 CG1 VAL A 12 -2.774 -20.046 -3.627 1.00 20.43 C ATOM 136 CG2 VAL A 12 -3.824 -18.378 -5.213 1.00 19.17 C ATOM 137 H VAL A 12 -1.377 -17.398 -6.415 1.00 0.00 H ATOM 138 N LEU A 13 0.448 -18.231 -2.896 1.00 19.78 N ATOM 139 CA LEU A 13 1.813 -18.638 -2.559 1.00 20.43 C ATOM 140 C LEU A 13 1.787 -19.399 -1.230 1.00 21.70 C ATOM 141 O LEU A 13 1.589 -18.806 -0.162 1.00 22.28 O ATOM 142 CB LEU A 13 2.722 -17.406 -2.458 1.00 20.38 C ATOM 143 CG LEU A 13 4.169 -17.660 -2.001 1.00 21.48 C ATOM 144 CD1 LEU A 13 4.843 -18.580 -2.994 1.00 21.31 C ATOM 145 CD2 LEU A 13 4.937 -16.362 -1.838 1.00 21.79 C ATOM 146 H LEU A 13 -0.051 -17.581 -2.255 1.00 0.00 H ATOM 147 N GLN A 14 2.015 -20.716 -1.300 1.00 22.36 N ATOM 148 CA GLN A 14 2.000 -21.580 -0.122 1.00 23.80 C ATOM 149 C GLN A 14 3.479 -21.784 0.234 1.00 24.53 C ATOM 150 O GLN A 14 4.331 -21.269 -0.478 1.00 23.86 O ATOM 151 CB GLN A 14 1.257 -22.880 -0.430 1.00 24.31 C ATOM 152 CG GLN A 14 -0.209 -22.643 -0.806 1.00 23.85 C ATOM 153 CD GLN A 14 -1.025 -23.921 -0.883 1.00 24.77 C ATOM 154 OE1 GLN A 14 -0.482 -24.986 -1.117 1.00 25.55 O ATOM 155 NE2 GLN A 14 -2.345 -23.804 -0.721 1.00 25.01 N ATOM 156 HE22 GLN A 14 -2.764 -22.873 -0.522 1.00 0.00 H ATOM 157 HE21 GLN A 14 -2.954 -24.644 -0.793 1.00 0.00 H ATOM 158 H GLN A 14 2.210 -21.141 -2.229 1.00 0.00 H ATOM 159 N PRO A 15 3.782 -22.490 1.327 1.00 26.10 N ATOM 160 CA PRO A 15 5.197 -22.554 1.752 1.00 27.24 C ATOM 161 C PRO A 15 6.177 -23.143 0.756 1.00 27.07 C ATOM 162 O PRO A 15 7.330 -22.729 0.756 1.00 27.63 O ATOM 163 CB PRO A 15 5.140 -23.438 3.004 1.00 29.23 C ATOM 164 CG PRO A 15 3.803 -23.136 3.584 1.00 29.16 C ATOM 165 CD PRO A 15 2.896 -22.992 2.389 1.00 27.33 C ATOM 166 N GLN A 16 5.758 -24.116 -0.053 1.00 26.68 N ATOM 167 CA GLN A 16 6.669 -24.785 -0.963 1.00 26.82 C ATOM 168 C GLN A 16 6.231 -24.782 -2.408 1.00 25.06 C ATOM 169 O GLN A 16 6.810 -25.491 -3.227 1.00 25.10 O ATOM 170 CB GLN A 16 6.861 -26.233 -0.522 1.00 28.85 C ATOM 171 CG GLN A 16 7.295 -26.402 0.924 1.00 31.08 C ATOM 172 CD GLN A 16 7.836 -27.794 1.208 1.00 33.30 C ATOM 173 OE1 GLN A 16 7.571 -28.367 2.256 1.00 35.51 O ATOM 174 NE2 GLN A 16 8.600 -28.352 0.272 1.00 33.67 N ATOM 175 HE22 GLN A 16 8.805 -27.836 -0.607 1.00 0.00 H ATOM 176 HE21 GLN A 16 8.992 -29.304 0.420 1.00 0.00 H ATOM 177 H GLN A 16 4.758 -24.401 -0.032 1.00 0.00 H ATOM 178 N ARG A 17 5.245 -23.973 -2.754 1.00 23.41 N ATOM 179 CA ARG A 17 4.759 -23.932 -4.122 1.00 22.12 C ATOM 180 C ARG A 17 3.900 -22.722 -4.378 1.00 20.68 C ATOM 181 O ARG A 17 3.345 -22.115 -3.458 1.00 20.47 O ATOM 182 CB ARG A 17 3.924 -25.199 -4.458 1.00 22.52 C ATOM 183 CG ARG A 17 2.677 -25.371 -3.586 1.00 22.88 C ATOM 184 CD ARG A 17 1.797 -26.578 -3.964 1.00 23.47 C ATOM 185 NE ARG A 17 0.537 -26.557 -3.216 1.00 23.85 N ATOM 186 CZ ARG A 17 -0.446 -27.461 -3.350 1.00 24.56 C ATOM 187 NH1 ARG A 17 -0.344 -28.474 -4.227 1.00 24.96 N ATOM 188 NH2 ARG A 17 -1.545 -27.320 -2.629 1.00 24.98 N ATOM 189 HE ARG A 17 0.394 -25.786 -2.532 1.00 0.00 H ATOM 190 HH12 ARG A 17 -1.117 -29.164 -4.316 1.00 0.00 H ATOM 191 HH11 ARG A 17 0.508 -28.568 -4.817 1.00 0.00 H ATOM 192 HH22 ARG A 17 -2.318 -28.010 -2.719 1.00 0.00 H ATOM 193 HH21 ARG A 17 -1.637 -26.519 -1.972 1.00 0.00 H ATOM 194 H ARG A 17 4.811 -23.357 -2.037 1.00 0.00 H ATOM 195 N VAL A 18 3.732 -22.428 -5.654 1.00 19.85 N ATOM 196 CA VAL A 18 2.915 -21.292 -6.069 1.00 18.90 C ATOM 197 C VAL A 18 2.017 -21.704 -7.221 1.00 18.56 C ATOM 198 O VAL A 18 2.461 -22.455 -8.110 1.00 18.81 O ATOM 199 CB VAL A 18 3.788 -20.068 -6.482 1.00 18.52 C ATOM 200 CG1 VAL A 18 4.704 -20.394 -7.660 1.00 18.67 C ATOM 201 CG2 VAL A 18 2.920 -18.839 -6.801 1.00 17.67 C ATOM 202 H VAL A 18 4.191 -23.017 -6.378 1.00 0.00 H ATOM 203 N LEU A 19 0.790 -21.169 -7.219 1.00 17.98 N ATOM 204 CA LEU A 19 -0.210 -21.422 -8.292 1.00 18.04 C ATOM 205 C LEU A 19 -0.137 -20.356 -9.372 1.00 17.52 C ATOM 206 O LEU A 19 -0.136 -19.144 -9.078 1.00 17.26 O ATOM 207 CB LEU A 19 -1.634 -21.412 -7.730 1.00 18.12 C ATOM 208 CG LEU A 19 -2.700 -22.021 -8.629 1.00 18.54 C ATOM 209 CD1 LEU A 19 -2.526 -23.527 -8.779 1.00 19.44 C ATOM 210 CD2 LEU A 19 -4.105 -21.726 -8.077 1.00 18.82 C ATOM 211 H LEU A 19 0.523 -20.547 -6.430 1.00 0.00 H ATOM 212 N LEU A 20 -0.040 -20.818 -10.607 1.00 17.79 N ATOM 213 CA LEU A 20 -0.037 -19.991 -11.764 1.00 17.58 C ATOM 214 C LEU A 20 -1.023 -20.551 -12.728 1.00 18.04 C ATOM 215 O LEU A 20 -1.430 -21.696 -12.618 1.00 18.33 O ATOM 216 CB LEU A 20 1.347 -19.990 -12.438 1.00 17.90 C ATOM 217 CG LEU A 20 2.476 -19.337 -11.608 1.00 17.84 C ATOM 218 CD1 LEU A 20 3.799 -19.541 -12.302 1.00 18.38 C ATOM 219 CD2 LEU A 20 2.258 -17.866 -11.381 1.00 17.46 C ATOM 220 H LEU A 20 0.039 -21.846 -10.740 1.00 0.00 H ATOM 221 N GLY A 21 -1.384 -19.717 -13.693 1.00 18.23 N ATOM 222 CA GLY A 21 -2.397 -20.068 -14.707 1.00 19.00 C ATOM 223 C GLY A 21 -1.809 -19.825 -16.078 1.00 19.56 C ATOM 224 O GLY A 21 -1.211 -18.766 -16.323 1.00 19.13 O ATOM 225 H GLY A 21 -0.936 -18.779 -13.737 1.00 0.00 H ATOM 226 N MET A 22 -1.972 -20.804 -16.971 1.00 20.69 N ATOM 227 CA MET A 22 -1.650 -20.616 -18.365 1.00 21.65 C ATOM 228 C MET A 22 -2.792 -19.812 -19.022 1.00 22.15 C ATOM 229 O MET A 22 -3.912 -20.301 -19.157 1.00 22.54 O ATOM 230 CB MET A 22 -1.410 -21.942 -19.047 1.00 22.87 C ATOM 231 CG MET A 22 -1.304 -21.931 -20.557 1.00 24.24 C ATOM 232 SD MET A 22 -0.032 -20.830 -21.215 1.00 24.43 S ATOM 233 CE MET A 22 1.446 -21.375 -20.361 1.00 23.92 C ATOM 234 H MET A 22 -2.340 -21.724 -16.654 1.00 0.00 H ATOM 235 N LYS A 23 -2.452 -18.610 -19.475 1.00 22.11 N ATOM 236 CA LYS A 23 -3.403 -17.730 -20.159 1.00 22.82 C ATOM 237 C LYS A 23 -3.743 -18.301 -21.546 1.00 24.31 C ATOM 238 O LYS A 23 -2.870 -18.546 -22.410 1.00 24.55 O ATOM 239 CB LYS A 23 -2.880 -16.278 -20.230 1.00 22.71 C ATOM 240 CG LYS A 23 -3.927 -15.277 -20.752 1.00 23.48 C ATOM 241 CD LYS A 23 -3.509 -13.844 -20.440 1.00 23.24 C ATOM 242 CE LYS A 23 -4.315 -12.822 -21.243 1.00 24.30 C ATOM 243 NZ LYS A 23 -5.772 -12.944 -21.048 1.00 24.54 N ATOM 244 HZ1 LYS A 23 -6.082 -13.891 -21.345 1.00 0.00 H ATOM 245 HZ2 LYS A 23 -5.999 -12.803 -20.043 1.00 0.00 H ATOM 246 HZ3 LYS A 23 -6.258 -12.224 -21.619 1.00 0.00 H ATOM 247 H LYS A 23 -1.475 -18.282 -19.339 1.00 0.00 H ATOM 248 N LYS A 24 -5.040 -18.502 -21.755 1.00 25.11 N ATOM 249 CA LYS A 24 -5.512 -19.258 -22.895 1.00 27.23 C ATOM 250 C LYS A 24 -5.971 -18.394 -24.067 1.00 28.95 C ATOM 251 O LYS A 24 -6.058 -18.877 -25.179 1.00 30.56 O ATOM 252 CB LYS A 24 -6.656 -20.163 -22.448 1.00 27.67 C ATOM 253 CG LYS A 24 -6.217 -21.305 -21.533 1.00 26.92 C ATOM 254 CD LYS A 24 -7.377 -21.959 -20.807 1.00 27.33 C ATOM 255 CE LYS A 24 -8.312 -22.638 -21.777 1.00 29.32 C ATOM 256 NZ LYS A 24 -9.402 -23.321 -21.051 1.00 30.11 N ATOM 257 HZ1 LYS A 24 -8.997 -24.036 -20.413 1.00 0.00 H ATOM 258 HZ2 LYS A 24 -9.938 -22.623 -20.496 1.00 0.00 H ATOM 259 HZ3 LYS A 24 -10.036 -23.783 -21.734 1.00 0.00 H ATOM 260 H LYS A 24 -5.731 -18.107 -21.085 1.00 0.00 H ATOM 261 N ARG A 25 -6.273 -17.128 -23.818 1.00 29.00 N ATOM 262 CA ARG A 25 -6.659 -16.240 -24.898 1.00 30.96 C ATOM 263 C ARG A 25 -6.316 -14.785 -24.632 1.00 30.03 C ATOM 264 O ARG A 25 -6.049 -14.386 -23.494 1.00 28.25 O ATOM 265 CB ARG A 25 -8.146 -16.395 -25.177 1.00 32.96 C ATOM 266 CG ARG A 25 -9.055 -16.197 -23.977 1.00 32.70 C ATOM 267 CD ARG A 25 -10.500 -16.475 -24.426 1.00 35.16 C ATOM 268 NE ARG A 25 -11.490 -16.128 -23.406 1.00 35.37 N ATOM 269 CZ ARG A 25 -12.788 -16.470 -23.456 1.00 37.51 C ATOM 270 NH1 ARG A 25 -13.613 -16.103 -22.466 1.00 37.48 N ATOM 271 NH2 ARG A 25 -13.288 -17.171 -24.486 1.00 39.84 N ATOM 272 HE ARG A 25 -11.166 -15.578 -22.585 1.00 0.00 H ATOM 273 HH12 ARG A 25 -14.618 -16.367 -22.502 1.00 0.00 H ATOM 274 HH11 ARG A 25 -13.248 -15.555 -21.661 1.00 0.00 H ATOM 275 HH22 ARG A 25 -14.297 -17.424 -24.502 1.00 0.00 H ATOM 276 HH21 ARG A 25 -12.667 -17.461 -25.268 1.00 0.00 H ATOM 277 H ARG A 25 -6.233 -16.769 -22.843 1.00 0.00 H ATOM 278 N GLY A 26 -6.329 -14.010 -25.716 1.00 31.46 N ATOM 279 CA GLY A 26 -6.056 -12.580 -25.664 1.00 31.28 C ATOM 280 C GLY A 26 -4.596 -12.248 -25.399 1.00 30.27 C ATOM 281 O GLY A 26 -3.690 -13.099 -25.556 1.00 30.20 O ATOM 282 H GLY A 26 -6.543 -14.444 -26.637 1.00 0.00 H ATOM 283 N PHE A 27 -4.377 -11.013 -24.961 1.00 29.76 N ATOM 284 CA PHE A 27 -3.032 -10.446 -24.925 1.00 29.35 C ATOM 285 C PHE A 27 -2.260 -11.170 -23.853 1.00 27.11 C ATOM 286 O PHE A 27 -2.623 -11.139 -22.714 1.00 25.78 O ATOM 287 CB PHE A 27 -3.060 -8.931 -24.654 1.00 29.71 C ATOM 288 CG PHE A 27 -1.712 -8.275 -24.764 1.00 30.11 C ATOM 289 CD1 PHE A 27 -1.004 -8.321 -25.949 1.00 31.91 C ATOM 290 CD2 PHE A 27 -1.138 -7.631 -23.672 1.00 29.22 C ATOM 291 CE1 PHE A 27 0.242 -7.711 -26.069 1.00 32.52 C ATOM 292 CE2 PHE A 27 0.097 -7.012 -23.778 1.00 29.59 C ATOM 293 CZ PHE A 27 0.796 -7.060 -24.972 1.00 31.36 C ATOM 294 H PHE A 27 -5.181 -10.438 -24.637 1.00 0.00 H ATOM 295 N GLY A 28 -1.203 -11.848 -24.250 1.00 27.11 N ATOM 296 CA GLY A 28 -0.429 -12.668 -23.334 1.00 25.56 C ATOM 297 C GLY A 28 -0.810 -14.146 -23.242 1.00 25.01 C ATOM 298 O GLY A 28 -0.312 -14.846 -22.367 1.00 24.06 O ATOM 299 H GLY A 28 -0.914 -11.795 -25.248 1.00 0.00 H ATOM 300 N ALA A 29 -1.693 -14.629 -24.119 1.00 25.88 N ATOM 301 CA ALA A 29 -1.933 -16.072 -24.245 1.00 25.89 C ATOM 302 C ALA A 29 -0.632 -16.796 -24.496 1.00 25.90 C ATOM 303 O ALA A 29 0.151 -16.350 -25.324 1.00 26.76 O ATOM 304 CB ALA A 29 -2.911 -16.386 -25.372 1.00 27.60 C ATOM 305 H ALA A 29 -2.222 -13.970 -24.725 1.00 0.00 H ATOM 306 N GLY A 30 -0.406 -17.895 -23.770 1.00 24.90 N ATOM 307 CA GLY A 30 0.760 -18.739 -23.980 1.00 25.16 C ATOM 308 C GLY A 30 1.788 -18.632 -22.880 1.00 23.85 C ATOM 309 O GLY A 30 2.730 -19.389 -22.872 1.00 24.45 O ATOM 310 H GLY A 30 -1.088 -18.156 -23.029 1.00 0.00 H ATOM 311 N ARG A 31 1.585 -17.704 -21.953 1.00 22.59 N ATOM 312 CA ARG A 31 2.444 -17.497 -20.791 1.00 21.35 C ATOM 313 C ARG A 31 1.682 -17.783 -19.525 1.00 20.22 C ATOM 314 O ARG A 31 0.461 -17.568 -19.466 1.00 19.87 O ATOM 315 CB ARG A 31 2.925 -16.050 -20.734 1.00 21.06 C ATOM 316 CG ARG A 31 3.862 -15.715 -21.868 1.00 22.24 C ATOM 317 CD ARG A 31 4.309 -14.264 -21.820 1.00 22.24 C ATOM 318 NE ARG A 31 5.547 -14.079 -22.583 1.00 23.41 N ATOM 319 CZ ARG A 31 5.988 -12.925 -23.085 1.00 24.31 C ATOM 320 NH1 ARG A 31 5.297 -11.815 -22.933 1.00 23.95 N ATOM 321 NH2 ARG A 31 7.162 -12.887 -23.751 1.00 25.68 N ATOM 322 HE ARG A 31 6.133 -14.922 -22.747 1.00 0.00 H ATOM 323 HH12 ARG A 31 5.653 -10.922 -23.330 1.00 0.00 H ATOM 324 HH11 ARG A 31 4.395 -11.831 -22.416 1.00 0.00 H ATOM 325 HH22 ARG A 31 7.508 -11.988 -24.144 1.00 0.00 H ATOM 326 HH21 ARG A 31 7.720 -13.756 -23.871 1.00 0.00 H ATOM 327 H ARG A 31 0.758 -17.082 -22.062 1.00 0.00 H ATOM 328 N TRP A 32 2.414 -18.254 -18.527 1.00 19.67 N ATOM 329 CA TRP A 32 1.932 -18.462 -17.177 1.00 19.03 C ATOM 330 C TRP A 32 1.953 -17.100 -16.429 1.00 18.69 C ATOM 331 O TRP A 32 2.948 -16.370 -16.480 1.00 18.66 O ATOM 332 CB TRP A 32 2.847 -19.477 -16.414 1.00 19.11 C ATOM 333 CG TRP A 32 2.874 -20.872 -17.026 1.00 19.89 C ATOM 334 CD1 TRP A 32 3.762 -21.355 -17.948 1.00 20.88 C ATOM 335 CD2 TRP A 32 1.938 -21.922 -16.781 1.00 19.99 C ATOM 336 NE1 TRP A 32 3.441 -22.668 -18.278 1.00 21.56 N ATOM 337 CE2 TRP A 32 2.325 -23.034 -17.575 1.00 21.10 C ATOM 338 CE3 TRP A 32 0.810 -22.043 -15.954 1.00 19.60 C ATOM 339 CZ2 TRP A 32 1.617 -24.252 -17.566 1.00 21.62 C ATOM 340 CZ3 TRP A 32 0.109 -23.273 -15.949 1.00 20.22 C ATOM 341 CH2 TRP A 32 0.519 -24.341 -16.750 1.00 21.20 C ATOM 342 HE1 TRP A 32 3.962 -23.270 -18.947 1.00 0.00 H ATOM 343 H TRP A 32 3.407 -18.492 -18.727 1.00 0.00 H ATOM 344 N ASN A 33 0.890 -16.807 -15.691 1.00 18.52 N ATOM 345 CA ASN A 33 0.863 -15.630 -14.827 1.00 18.52 C ATOM 346 C ASN A 33 -0.078 -15.862 -13.671 1.00 17.69 C ATOM 347 O ASN A 33 -0.816 -16.851 -13.667 1.00 17.60 O ATOM 348 CB ASN A 33 0.471 -14.341 -15.617 1.00 19.60 C ATOM 349 CG ASN A 33 -0.760 -14.504 -16.506 1.00 20.83 C ATOM 350 OD1 ASN A 33 -0.652 -14.573 -17.745 1.00 22.95 O ATOM 351 ND2 ASN A 33 -1.948 -14.495 -15.897 1.00 21.43 N ATOM 352 HD22 ASN A 33 -2.000 -14.436 -14.860 1.00 0.00 H ATOM 353 HD21 ASN A 33 -2.821 -14.547 -16.460 1.00 0.00 H ATOM 354 H ASN A 33 0.058 -17.429 -15.729 1.00 0.00 H ATOM 355 N GLY A 34 -0.052 -14.944 -12.706 1.00 17.02 N ATOM 356 CA GLY A 34 -1.007 -14.949 -11.607 1.00 16.88 C ATOM 357 C GLY A 34 -2.414 -14.687 -12.123 1.00 17.18 C ATOM 358 O GLY A 34 -2.587 -14.419 -13.312 1.00 17.68 O ATOM 359 H GLY A 34 0.674 -14.200 -12.739 1.00 0.00 H ATOM 360 N PHE A 35 -3.413 -14.777 -11.244 1.00 17.19 N ATOM 361 CA PHE A 35 -4.804 -14.643 -11.639 1.00 17.82 C ATOM 362 C PHE A 35 -5.220 -13.166 -11.497 1.00 17.78 C ATOM 363 O PHE A 35 -4.839 -12.486 -10.544 1.00 17.65 O ATOM 364 CB PHE A 35 -5.672 -15.591 -10.795 1.00 18.18 C ATOM 365 CG PHE A 35 -5.296 -17.029 -10.954 1.00 18.60 C ATOM 366 CD1 PHE A 35 -5.798 -17.777 -12.000 1.00 19.27 C ATOM 367 CD2 PHE A 35 -4.365 -17.619 -10.097 1.00 18.53 C ATOM 368 CE1 PHE A 35 -5.424 -19.085 -12.175 1.00 19.86 C ATOM 369 CE2 PHE A 35 -3.967 -18.916 -10.277 1.00 18.99 C ATOM 370 CZ PHE A 35 -4.489 -19.664 -11.313 1.00 19.71 C ATOM 371 H PHE A 35 -3.189 -14.949 -10.243 1.00 0.00 H ATOM 372 N GLY A 36 -5.906 -12.651 -12.495 1.00 18.17 N ATOM 373 CA GLY A 36 -6.338 -11.264 -12.454 1.00 18.39 C ATOM 374 C GLY A 36 -6.829 -10.724 -13.778 1.00 18.99 C ATOM 375 O GLY A 36 -7.090 -11.475 -14.712 1.00 19.65 O ATOM 376 H GLY A 36 -6.141 -13.241 -13.319 1.00 0.00 H ATOM 377 N GLY A 37 -6.884 -9.403 -13.854 1.00 19.10 N ATOM 378 CA GLY A 37 -7.484 -8.685 -14.962 1.00 20.01 C ATOM 379 C GLY A 37 -7.932 -7.290 -14.544 1.00 20.20 C ATOM 380 O GLY A 37 -7.513 -6.744 -13.508 1.00 19.46 O ATOM 381 H GLY A 37 -6.474 -8.849 -13.075 1.00 0.00 H ATOM 382 N LYS A 38 -8.778 -6.715 -15.379 1.00 21.26 N ATOM 383 CA LYS A 38 -9.244 -5.359 -15.212 1.00 21.99 C ATOM 384 C LYS A 38 -10.168 -5.222 -14.032 1.00 21.53 C ATOM 385 O LYS A 38 -11.102 -6.048 -13.854 1.00 22.11 O ATOM 386 CB LYS A 38 -9.977 -4.917 -16.469 1.00 23.98 C ATOM 387 CG LYS A 38 -9.054 -4.665 -17.644 1.00 25.03 C ATOM 388 CD LYS A 38 -9.827 -4.496 -18.945 1.00 27.21 C ATOM 389 CE LYS A 38 -8.850 -4.040 -20.013 1.00 28.24 C ATOM 390 NZ LYS A 38 -9.579 -3.667 -21.231 1.00 30.40 N ATOM 391 HZ1 LYS A 38 -10.111 -4.489 -21.581 1.00 0.00 H ATOM 392 HZ2 LYS A 38 -10.238 -2.892 -21.015 1.00 0.00 H ATOM 393 HZ3 LYS A 38 -8.902 -3.356 -21.957 1.00 0.00 H ATOM 394 H LYS A 38 -9.124 -7.263 -16.193 1.00 0.00 H ATOM 395 N VAL A 39 -9.959 -4.163 -13.267 1.00 20.94 N ATOM 396 CA VAL A 39 -10.888 -3.779 -12.214 1.00 21.00 C ATOM 397 C VAL A 39 -12.108 -3.083 -12.859 1.00 22.20 C ATOM 398 O VAL A 39 -11.990 -2.244 -13.740 1.00 22.80 O ATOM 399 CB VAL A 39 -10.198 -2.902 -11.150 1.00 20.60 C ATOM 400 CG1 VAL A 39 -11.170 -2.498 -10.031 1.00 20.97 C ATOM 401 CG2 VAL A 39 -9.015 -3.680 -10.559 1.00 19.55 C ATOM 402 H VAL A 39 -9.106 -3.588 -13.422 1.00 0.00 H ATOM 403 N GLN A 40 -13.298 -3.477 -12.440 1.00 22.76 N ATOM 404 CA GLN A 40 -14.513 -2.930 -13.026 1.00 24.23 C ATOM 405 C GLN A 40 -15.042 -1.734 -12.244 1.00 24.72 C ATOM 406 O GLN A 40 -14.735 -1.548 -11.085 1.00 23.73 O ATOM 407 CB GLN A 40 -15.581 -4.020 -13.094 1.00 25.17 C ATOM 408 CG GLN A 40 -15.245 -5.110 -14.101 1.00 25.42 C ATOM 409 CD GLN A 40 -16.143 -6.353 -13.962 1.00 26.24 C ATOM 410 OE1 GLN A 40 -17.096 -6.364 -13.182 1.00 26.95 O ATOM 411 NE2 GLN A 40 -15.794 -7.431 -14.691 1.00 26.47 N ATOM 412 HE22 GLN A 40 -14.982 -7.380 -15.339 1.00 0.00 H ATOM 413 HE21 GLN A 40 -16.337 -8.314 -14.606 1.00 0.00 H ATOM 414 H GLN A 40 -13.367 -4.186 -11.683 1.00 0.00 H ATOM 415 N GLU A 41 -15.888 -0.958 -12.904 1.00 26.14 N ATOM 416 CA GLU A 41 -16.653 0.088 -12.231 1.00 27.36 C ATOM 417 C GLU A 41 -17.521 -0.551 -11.146 1.00 26.94 C ATOM 418 O GLU A 41 -18.125 -1.582 -11.356 1.00 26.96 O ATOM 419 CB GLU A 41 -17.466 0.891 -13.257 1.00 29.68 C ATOM 420 CG GLU A 41 -16.532 1.707 -14.142 1.00 30.38 C ATOM 421 CD GLU A 41 -17.184 2.503 -15.265 1.00 33.22 C ATOM 422 OE1 GLU A 41 -16.480 3.416 -15.826 1.00 34.56 O ATOM 423 OE2 GLU A 41 -18.382 2.276 -15.597 1.00 35.03 O ATOM 424 H GLU A 41 -16.011 -1.097 -13.927 1.00 0.00 H ATOM 425 N GLY A 42 -17.498 0.018 -9.956 1.00 26.55 N ATOM 426 CA GLY A 42 -18.386 -0.420 -8.890 1.00 26.89 C ATOM 427 C GLY A 42 -17.820 -1.493 -7.975 1.00 25.55 C ATOM 428 O GLY A 42 -18.518 -1.968 -7.110 1.00 25.92 O ATOM 429 H GLY A 42 -16.831 0.796 -9.776 1.00 0.00 H ATOM 430 N GLU A 43 -16.560 -1.897 -8.152 1.00 24.04 N ATOM 431 CA GLU A 43 -15.921 -2.801 -7.181 1.00 23.19 C ATOM 432 C GLU A 43 -14.578 -2.173 -6.740 1.00 22.26 C ATOM 433 O GLU A 43 -13.954 -1.467 -7.517 1.00 21.78 O ATOM 434 CB GLU A 43 -15.694 -4.194 -7.793 1.00 22.65 C ATOM 435 CG GLU A 43 -14.678 -4.177 -8.932 1.00 21.92 C ATOM 436 CD GLU A 43 -14.466 -5.486 -9.655 1.00 21.65 C ATOM 437 OE1 GLU A 43 -13.616 -5.479 -10.585 1.00 21.01 O ATOM 438 OE2 GLU A 43 -15.087 -6.519 -9.313 1.00 22.05 O ATOM 439 H GLU A 43 -16.025 -1.571 -8.982 1.00 0.00 H ATOM 440 N THR A 44 -14.155 -2.475 -5.517 1.00 22.02 N ATOM 441 CA THR A 44 -12.853 -2.063 -5.007 1.00 21.52 C ATOM 442 C THR A 44 -11.785 -2.890 -5.748 1.00 20.44 C ATOM 443 O THR A 44 -12.113 -3.884 -6.417 1.00 20.07 O ATOM 444 CB THR A 44 -12.727 -2.328 -3.481 1.00 21.86 C ATOM 445 OG1 THR A 44 -12.806 -3.733 -3.220 1.00 21.54 O ATOM 446 CG2 THR A 44 -13.839 -1.609 -2.662 1.00 23.21 C ATOM 447 HG1 THR A 44 -12.725 -3.892 -2.246 1.00 0.00 H ATOM 448 H THR A 44 -14.780 -3.029 -4.897 1.00 0.00 H ATOM 449 N ILE A 45 -10.527 -2.491 -5.623 1.00 20.03 N ATOM 450 CA ILE A 45 -9.422 -3.224 -6.224 1.00 19.26 C ATOM 451 C ILE A 45 -9.335 -4.673 -5.632 1.00 18.85 C ATOM 452 O ILE A 45 -9.264 -5.655 -6.386 1.00 18.05 O ATOM 453 CB ILE A 45 -8.086 -2.450 -6.093 1.00 19.25 C ATOM 454 CG1 ILE A 45 -8.125 -1.231 -7.030 1.00 20.02 C ATOM 455 CG2 ILE A 45 -6.886 -3.313 -6.491 1.00 18.40 C ATOM 456 CD1 ILE A 45 -7.040 -0.205 -6.800 1.00 20.48 C ATOM 457 H ILE A 45 -10.323 -1.628 -5.079 1.00 0.00 H ATOM 458 N GLU A 46 -9.402 -4.805 -4.317 1.00 23.09 N ATOM 459 CA GLU A 46 -9.389 -6.135 -3.715 1.00 23.43 C ATOM 460 C GLU A 46 -10.612 -7.005 -4.137 1.00 23.49 C ATOM 461 O GLU A 46 -10.436 -8.203 -4.413 1.00 22.43 O ATOM 462 CB GLU A 46 -9.258 -6.046 -2.197 1.00 25.10 C ATOM 463 CG GLU A 46 -8.942 -7.399 -1.579 1.00 25.91 C ATOM 464 CD GLU A 46 -8.993 -7.396 -0.068 1.00 27.94 C ATOM 465 OE1 GLU A 46 -9.466 -8.392 0.535 1.00 29.76 O ATOM 466 OE2 GLU A 46 -8.570 -6.401 0.524 1.00 29.41 O ATOM 467 H GLU A 46 -9.464 -3.961 -3.712 1.00 0.00 H ATOM 468 N ASP A 47 -11.806 -6.393 -4.232 1.00 24.10 N ATOM 469 CA ASP A 47 -13.017 -7.087 -4.750 1.00 24.68 C ATOM 470 C ASP A 47 -12.708 -7.635 -6.137 1.00 23.27 C ATOM 471 O ASP A 47 -13.033 -8.765 -6.430 1.00 23.07 O ATOM 472 CB ASP A 47 -14.253 -6.145 -4.914 1.00 26.25 C ATOM 473 CG ASP A 47 -14.950 -5.781 -3.613 1.00 28.08 C ATOM 474 OD1 ASP A 47 -14.716 -6.521 -2.643 1.00 28.67 O ATOM 475 OD2 ASP A 47 -15.774 -4.767 -3.575 1.00 29.46 O ATOM 476 H ASP A 47 -11.886 -5.400 -3.933 1.00 0.00 H ATOM 477 N GLY A 48 -12.145 -6.796 -7.001 1.00 22.37 N ATOM 478 CA GLY A 48 -11.858 -7.188 -8.373 1.00 21.67 C ATOM 479 C GLY A 48 -10.834 -8.319 -8.432 1.00 20.61 C ATOM 480 O GLY A 48 -10.942 -9.226 -9.239 1.00 20.20 O ATOM 481 H GLY A 48 -11.903 -5.834 -6.688 1.00 0.00 H ATOM 482 N ALA A 49 -9.853 -8.259 -7.540 1.00 20.21 N ATOM 483 CA ALA A 49 -8.841 -9.318 -7.413 1.00 19.47 C ATOM 484 C ALA A 49 -9.521 -10.661 -7.047 1.00 20.03 C ATOM 485 O ALA A 49 -9.259 -11.695 -7.662 1.00 19.43 O ATOM 486 CB ALA A 49 -7.875 -8.941 -6.346 1.00 19.23 C ATOM 487 H ALA A 49 -9.798 -7.434 -6.909 1.00 0.00 H ATOM 488 N ARG A 50 -10.383 -10.639 -6.045 1.00 21.41 N ATOM 489 CA ARG A 50 -11.154 -11.870 -5.660 1.00 22.48 C ATOM 490 C ARG A 50 -12.059 -12.357 -6.786 1.00 22.89 C ATOM 491 O ARG A 50 -12.165 -13.574 -7.060 1.00 23.02 O ATOM 492 CB ARG A 50 -12.022 -11.623 -4.423 1.00 23.99 C ATOM 493 CG ARG A 50 -11.247 -11.339 -3.136 1.00 24.44 C ATOM 494 CD ARG A 50 -12.234 -10.954 -2.041 1.00 26.09 C ATOM 495 NE ARG A 50 -11.583 -10.754 -0.757 1.00 26.79 N ATOM 496 CZ ARG A 50 -11.300 -11.717 0.116 1.00 27.66 C ATOM 497 NH1 ARG A 50 -11.600 -12.997 -0.129 1.00 27.90 N ATOM 498 NH2 ARG A 50 -10.684 -11.413 1.251 1.00 28.47 N ATOM 499 HE ARG A 50 -11.318 -9.782 -0.501 1.00 0.00 H ATOM 500 HH12 ARG A 50 -11.367 -13.729 0.572 1.00 0.00 H ATOM 501 HH11 ARG A 50 -12.066 -13.260 -1.020 1.00 0.00 H ATOM 502 HH22 ARG A 50 -10.460 -12.161 1.938 1.00 0.00 H ATOM 503 HH21 ARG A 50 -10.425 -10.426 1.454 1.00 0.00 H ATOM 504 H ARG A 50 -10.530 -9.756 -5.515 1.00 0.00 H ATOM 505 N ARG A 51 -12.772 -11.416 -7.414 1.00 23.45 N ATOM 506 CA ARG A 51 -13.681 -11.776 -8.507 1.00 23.90 C ATOM 507 C ARG A 51 -12.861 -12.495 -9.601 1.00 23.26 C ATOM 508 O ARG A 51 -13.261 -13.552 -10.077 1.00 23.25 O ATOM 509 CB ARG A 51 -14.371 -10.539 -9.086 1.00 24.51 C ATOM 510 CG ARG A 51 -15.326 -10.849 -10.247 1.00 25.43 C ATOM 511 CD ARG A 51 -15.958 -9.596 -10.861 1.00 26.16 C ATOM 512 NE ARG A 51 -14.972 -8.568 -11.145 1.00 25.43 N ATOM 513 CZ ARG A 51 -14.083 -8.604 -12.141 1.00 24.79 C ATOM 514 NH1 ARG A 51 -14.024 -9.623 -12.998 1.00 24.86 N ATOM 515 NH2 ARG A 51 -13.205 -7.619 -12.267 1.00 24.32 N ATOM 516 HE ARG A 51 -14.957 -7.736 -10.522 1.00 0.00 H ATOM 517 HH12 ARG A 51 -13.319 -9.619 -13.763 1.00 0.00 H ATOM 518 HH11 ARG A 51 -14.683 -10.422 -12.902 1.00 0.00 H ATOM 519 HH22 ARG A 51 -12.509 -7.638 -13.039 1.00 0.00 H ATOM 520 HH21 ARG A 51 -13.212 -6.827 -11.593 1.00 0.00 H ATOM 521 H ARG A 51 -12.681 -10.421 -7.125 1.00 0.00 H ATOM 522 N GLU A 52 -11.708 -11.925 -9.971 1.00 22.62 N ATOM 523 CA GLU A 52 -10.944 -12.479 -11.078 1.00 22.56 C ATOM 524 C GLU A 52 -10.409 -13.869 -10.726 1.00 22.04 C ATOM 525 O GLU A 52 -10.488 -14.755 -11.552 1.00 21.81 O ATOM 526 CB GLU A 52 -9.812 -11.561 -11.504 1.00 22.61 C ATOM 527 CG GLU A 52 -10.230 -10.250 -12.169 1.00 23.64 C ATOM 528 CD GLU A 52 -10.539 -10.349 -13.648 1.00 25.04 C ATOM 529 OE1 GLU A 52 -10.494 -11.465 -14.191 1.00 26.23 O ATOM 530 OE2 GLU A 52 -10.856 -9.293 -14.276 1.00 26.67 O ATOM 531 H GLU A 52 -11.358 -11.085 -9.467 1.00 0.00 H ATOM 532 N LEU A 53 -9.897 -14.039 -9.500 1.00 21.64 N ATOM 533 CA LEU A 53 -9.385 -15.328 -9.023 1.00 21.72 C ATOM 534 C LEU A 53 -10.499 -16.401 -9.122 1.00 22.74 C ATOM 535 O LEU A 53 -10.301 -17.484 -9.673 1.00 22.18 O ATOM 536 CB LEU A 53 -8.895 -15.207 -7.581 1.00 21.59 C ATOM 537 CG LEU A 53 -8.303 -16.466 -6.929 1.00 21.88 C ATOM 538 CD1 LEU A 53 -7.074 -16.923 -7.701 1.00 21.17 C ATOM 539 CD2 LEU A 53 -7.969 -16.206 -5.462 1.00 22.21 C ATOM 540 H LEU A 53 -9.861 -13.221 -8.858 1.00 0.00 H ATOM 541 N GLN A 54 -11.691 -16.038 -8.660 1.00 24.07 N ATOM 542 CA GLN A 54 -12.848 -16.949 -8.759 1.00 25.63 C ATOM 543 C GLN A 54 -13.269 -17.297 -10.180 1.00 25.97 C ATOM 544 O GLN A 54 -13.443 -18.470 -10.472 1.00 26.69 O ATOM 545 CB GLN A 54 -14.052 -16.440 -8.005 1.00 27.11 C ATOM 546 CG GLN A 54 -15.105 -17.530 -7.852 1.00 28.91 C ATOM 547 CD GLN A 54 -16.172 -17.162 -6.855 1.00 30.75 C ATOM 548 OE1 GLN A 54 -16.444 -15.988 -6.635 1.00 32.44 O ATOM 549 NE2 GLN A 54 -16.793 -18.156 -6.260 1.00 32.47 N ATOM 550 HE22 GLN A 54 -16.529 -19.138 -6.477 1.00 0.00 H ATOM 551 HE21 GLN A 54 -17.548 -17.960 -5.572 1.00 0.00 H ATOM 552 H GLN A 54 -11.810 -15.101 -8.224 1.00 0.00 H ATOM 553 N GLU A 55 -13.426 -16.303 -11.055 1.00 25.93 N ATOM 554 CA GLU A 55 -13.777 -16.556 -12.467 1.00 26.31 C ATOM 555 C GLU A 55 -12.719 -17.446 -13.149 1.00 25.36 C ATOM 556 O GLU A 55 -13.032 -18.345 -13.910 1.00 25.60 O ATOM 557 CB GLU A 55 -13.900 -15.228 -13.241 1.00 26.84 C ATOM 558 CG GLU A 55 -15.070 -14.332 -12.839 1.00 28.18 C ATOM 559 CD GLU A 55 -15.109 -13.004 -13.599 1.00 28.95 C ATOM 560 OE1 GLU A 55 -14.328 -12.827 -14.554 1.00 29.12 O ATOM 561 OE2 GLU A 55 -15.912 -12.107 -13.239 1.00 30.05 O ATOM 562 H GLU A 55 -13.298 -15.322 -10.734 1.00 0.00 H ATOM 563 N GLU A 56 -11.457 -17.192 -12.844 1.00 23.96 N ATOM 564 CA GLU A 56 -10.348 -17.840 -13.550 1.00 23.39 C ATOM 565 C GLU A 56 -9.906 -19.208 -13.003 1.00 23.27 C ATOM 566 O GLU A 56 -9.422 -20.022 -13.761 1.00 23.56 O ATOM 567 CB GLU A 56 -9.163 -16.886 -13.601 1.00 22.47 C ATOM 568 CG GLU A 56 -9.439 -15.722 -14.518 1.00 22.80 C ATOM 569 CD GLU A 56 -8.315 -14.723 -14.563 1.00 22.12 C ATOM 570 OE1 GLU A 56 -7.372 -14.812 -13.761 1.00 21.07 O ATOM 571 OE2 GLU A 56 -8.435 -13.795 -15.400 1.00 23.01 O ATOM 572 H GLU A 56 -11.246 -16.515 -12.083 1.00 0.00 H ATOM 573 N SER A 57 -10.056 -19.432 -11.703 1.00 22.99 N ATOM 574 CA SER A 57 -9.638 -20.657 -11.034 1.00 23.06 C ATOM 575 C SER A 57 -10.709 -21.362 -10.188 1.00 23.69 C ATOM 576 O SER A 57 -10.459 -22.449 -9.669 1.00 24.12 O ATOM 577 CB SER A 57 -8.451 -20.330 -10.123 1.00 22.39 C ATOM 578 OG SER A 57 -8.902 -19.677 -8.960 1.00 22.44 O ATOM 579 HG SER A 57 -9.361 -18.837 -9.212 1.00 0.00 H ATOM 580 H SER A 57 -10.499 -18.688 -11.127 1.00 0.00 H ATOM 581 N GLY A 58 -11.867 -20.729 -9.991 1.00 23.71 N ATOM 582 CA GLY A 58 -12.865 -21.205 -9.027 1.00 24.22 C ATOM 583 C GLY A 58 -12.554 -20.920 -7.563 1.00 23.80 C ATOM 584 O GLY A 58 -13.411 -21.112 -6.723 1.00 24.41 O ATOM 585 H GLY A 58 -12.069 -19.869 -10.540 1.00 0.00 H ATOM 586 N LEU A 59 -11.340 -20.465 -7.226 1.00 22.64 N ATOM 587 CA LEU A 59 -10.976 -20.316 -5.820 1.00 22.64 C ATOM 588 C LEU A 59 -11.555 -19.059 -5.185 1.00 22.80 C ATOM 589 O LEU A 59 -11.687 -18.028 -5.852 1.00 22.13 O ATOM 590 CB LEU A 59 -9.458 -20.290 -5.664 1.00 21.73 C ATOM 591 CG LEU A 59 -8.759 -21.560 -6.148 1.00 21.72 C ATOM 592 CD1 LEU A 59 -7.247 -21.361 -6.251 1.00 20.98 C ATOM 593 CD2 LEU A 59 -9.107 -22.722 -5.224 1.00 22.71 C ATOM 594 H LEU A 59 -10.655 -20.217 -7.968 1.00 0.00 H ATOM 595 N THR A 60 -11.888 -19.172 -3.900 1.00 23.86 N ATOM 596 CA THR A 60 -12.106 -18.025 -3.020 1.00 24.52 C ATOM 597 C THR A 60 -10.980 -18.069 -1.995 1.00 24.84 C ATOM 598 O THR A 60 -10.318 -19.096 -1.856 1.00 24.57 O ATOM 599 CB THR A 60 -13.504 -18.009 -2.347 1.00 25.88 C ATOM 600 OG1 THR A 60 -13.699 -19.169 -1.508 1.00 26.82 O ATOM 601 CG2 THR A 60 -14.596 -17.970 -3.419 1.00 26.06 C ATOM 602 HG1 THR A 60 -13.009 -19.182 -0.799 1.00 0.00 H ATOM 603 H THR A 60 -11.999 -20.126 -3.502 1.00 0.00 H ATOM 604 N VAL A 61 -10.752 -16.953 -1.308 1.00 25.44 N ATOM 605 CA VAL A 61 -9.754 -16.901 -0.245 1.00 26.19 C ATOM 606 C VAL A 61 -10.289 -16.183 0.989 1.00 27.80 C ATOM 607 O VAL A 61 -11.231 -15.404 0.921 1.00 27.95 O ATOM 608 CB VAL A 61 -8.413 -16.239 -0.714 1.00 25.20 C ATOM 609 CG1 VAL A 61 -7.851 -16.994 -1.892 1.00 24.26 C ATOM 610 CG2 VAL A 61 -8.617 -14.793 -1.102 1.00 24.87 C ATOM 611 H VAL A 61 -11.298 -16.097 -1.534 1.00 0.00 H ATOM 612 N ASP A 62 -9.671 -16.466 2.125 1.00 29.13 N ATOM 613 CA ASP A 62 -9.986 -15.760 3.340 1.00 30.97 C ATOM 614 C ASP A 62 -9.452 -14.329 3.280 1.00 30.27 C ATOM 615 O ASP A 62 -10.139 -13.393 3.636 1.00 31.22 O ATOM 616 CB ASP A 62 -9.389 -16.504 4.530 1.00 32.89 C ATOM 617 CG ASP A 62 -10.046 -16.143 5.820 1.00 35.48 C ATOM 618 OD1 ASP A 62 -10.606 -15.038 5.936 1.00 36.74 O ATOM 619 OD2 ASP A 62 -10.042 -16.981 6.740 1.00 37.88 O ATOM 620 H ASP A 62 -8.946 -17.211 2.140 1.00 0.00 H ATOM 621 N ALA A 63 -8.211 -14.163 2.852 1.00 28.88 N ATOM 622 CA ALA A 63 -7.572 -12.854 2.866 1.00 28.43 C ATOM 623 C ALA A 63 -6.649 -12.674 1.673 1.00 26.58 C ATOM 624 O ALA A 63 -6.080 -13.647 1.171 1.00 26.02 O ATOM 625 CB ALA A 63 -6.795 -12.689 4.153 1.00 29.64 C ATOM 626 H ALA A 63 -7.681 -14.985 2.498 1.00 0.00 H ATOM 627 N LEU A 64 -6.543 -11.439 1.192 1.00 25.74 N ATOM 628 CA LEU A 64 -5.527 -11.071 0.209 1.00 24.29 C ATOM 629 C LEU A 64 -4.649 -10.046 0.885 1.00 24.64 C ATOM 630 O LEU A 64 -5.129 -9.282 1.716 1.00 25.74 O ATOM 631 CB LEU A 64 -6.127 -10.459 -1.043 1.00 23.35 C ATOM 632 CG LEU A 64 -6.880 -11.367 -2.006 1.00 22.93 C ATOM 633 CD1 LEU A 64 -7.440 -10.551 -3.145 1.00 22.47 C ATOM 634 CD2 LEU A 64 -5.991 -12.461 -2.576 1.00 22.14 C ATOM 635 H LEU A 64 -7.206 -10.711 1.527 1.00 0.00 H ATOM 636 N HIS A 65 -3.383 -10.037 0.512 1.00 23.83 N ATOM 637 CA HIS A 65 -2.377 -9.136 1.087 1.00 24.35 C ATOM 638 C HIS A 65 -1.740 -8.363 -0.043 1.00 23.17 C ATOM 639 O HIS A 65 -1.316 -8.933 -1.026 1.00 21.78 O ATOM 640 CB HIS A 65 -1.325 -9.940 1.876 1.00 25.01 C ATOM 641 CG HIS A 65 -1.916 -10.695 3.011 1.00 26.39 C ATOM 642 ND1 HIS A 65 -2.313 -10.080 4.177 1.00 28.12 N ATOM 643 CD2 HIS A 65 -2.281 -11.993 3.131 1.00 26.76 C ATOM 644 CE1 HIS A 65 -2.874 -10.971 4.981 1.00 29.15 C ATOM 645 NE2 HIS A 65 -2.863 -12.144 4.371 1.00 28.29 N ATOM 646 H HIS A 65 -3.083 -10.703 -0.228 1.00 0.00 H ATOM 647 N LYS A 66 -1.664 -7.049 0.121 1.00 24.06 N ATOM 648 CA LYS A 66 -1.013 -6.150 -0.845 1.00 23.41 C ATOM 649 C LYS A 66 0.490 -6.393 -0.799 1.00 22.97 C ATOM 650 O LYS A 66 1.103 -6.255 0.246 1.00 23.88 O ATOM 651 CB LYS A 66 -1.349 -4.687 -0.507 1.00 24.77 C ATOM 652 CG LYS A 66 -2.812 -4.334 -0.662 1.00 25.64 C ATOM 653 CD LYS A 66 -3.143 -2.917 -0.191 1.00 27.33 C ATOM 654 CE LYS A 66 -3.382 -2.860 1.312 1.00 29.44 C ATOM 655 NZ LYS A 66 -3.491 -1.450 1.805 1.00 31.13 N ATOM 656 HZ1 LYS A 66 -2.609 -0.941 1.595 1.00 0.00 H ATOM 657 HZ2 LYS A 66 -4.286 -0.978 1.329 1.00 0.00 H ATOM 658 HZ3 LYS A 66 -3.653 -1.455 2.832 1.00 0.00 H ATOM 659 H LYS A 66 -2.086 -6.633 0.976 1.00 0.00 H ATOM 660 N VAL A 67 1.077 -6.799 -1.916 1.00 21.68 N ATOM 661 CA VAL A 67 2.531 -7.016 -1.986 1.00 21.44 C ATOM 662 C VAL A 67 3.264 -6.106 -2.964 1.00 20.76 C ATOM 663 O VAL A 67 4.476 -5.885 -2.805 1.00 20.44 O ATOM 664 CB VAL A 67 2.907 -8.465 -2.295 1.00 21.20 C ATOM 665 CG1 VAL A 67 2.428 -9.365 -1.162 1.00 22.09 C ATOM 666 CG2 VAL A 67 2.363 -8.918 -3.638 1.00 20.18 C ATOM 667 H VAL A 67 0.497 -6.968 -2.762 1.00 0.00 H ATOM 668 N GLY A 68 2.567 -5.543 -3.946 1.00 19.98 N ATOM 669 CA GLY A 68 3.262 -4.677 -4.900 1.00 19.57 C ATOM 670 C GLY A 68 2.370 -3.909 -5.846 1.00 19.45 C ATOM 671 O GLY A 68 1.135 -4.111 -5.909 1.00 18.58 O ATOM 672 H GLY A 68 1.545 -5.715 -4.035 1.00 0.00 H ATOM 673 N GLN A 69 3.014 -2.977 -6.552 1.00 19.63 N ATOM 674 CA GLN A 69 2.358 -2.227 -7.611 1.00 19.83 C ATOM 675 C GLN A 69 3.308 -2.178 -8.778 1.00 19.20 C ATOM 676 O GLN A 69 4.517 -1.920 -8.578 1.00 19.32 O ATOM 677 CB GLN A 69 1.975 -0.818 -7.117 1.00 21.19 C ATOM 678 CG GLN A 69 1.394 0.062 -8.216 1.00 21.90 C ATOM 679 CD GLN A 69 0.965 1.435 -7.723 1.00 23.47 C ATOM 680 OE1 GLN A 69 1.678 2.096 -6.946 1.00 24.55 O ATOM 681 NE2 GLN A 69 -0.172 1.880 -8.195 1.00 23.67 N ATOM 682 HE22 GLN A 69 -0.733 1.290 -8.842 1.00 0.00 H ATOM 683 HE21 GLN A 69 -0.514 2.824 -7.923 1.00 0.00 H ATOM 684 H GLN A 69 4.013 -2.782 -6.339 1.00 0.00 H ATOM 685 N ILE A 70 2.809 -2.505 -9.965 1.00 18.61 N ATOM 686 CA ILE A 70 3.606 -2.405 -11.176 1.00 18.60 C ATOM 687 C ILE A 70 2.890 -1.559 -12.187 1.00 18.51 C ATOM 688 O ILE A 70 1.715 -1.780 -12.452 1.00 18.43 O ATOM 689 CB ILE A 70 3.937 -3.769 -11.829 1.00 18.61 C ATOM 690 CG1 ILE A 70 4.480 -4.763 -10.797 1.00 18.89 C ATOM 691 CG2 ILE A 70 4.974 -3.577 -12.925 1.00 18.59 C ATOM 692 CD1 ILE A 70 4.650 -6.186 -11.314 1.00 18.83 C ATOM 693 H ILE A 70 1.826 -2.840 -10.029 1.00 0.00 H ATOM 694 N VAL A 71 3.604 -0.589 -12.755 1.00 18.44 N ATOM 695 CA VAL A 71 3.088 0.183 -13.874 1.00 18.77 C ATOM 696 C VAL A 71 3.714 -0.348 -15.154 1.00 18.61 C ATOM 697 O VAL A 71 4.947 -0.466 -15.231 1.00 18.16 O ATOM 698 CB VAL A 71 3.351 1.688 -13.694 1.00 19.31 C ATOM 699 CG1 VAL A 71 3.098 2.473 -14.994 1.00 19.80 C ATOM 700 CG2 VAL A 71 2.481 2.212 -12.553 1.00 19.78 C ATOM 701 H VAL A 71 4.554 -0.378 -12.389 1.00 0.00 H ATOM 702 N PHE A 72 2.881 -0.648 -16.154 1.00 18.78 N ATOM 703 CA PHE A 72 3.383 -1.056 -17.472 1.00 19.15 C ATOM 704 C PHE A 72 3.057 0.008 -18.524 1.00 19.95 C ATOM 705 O PHE A 72 1.955 0.525 -18.573 1.00 20.22 O ATOM 706 CB PHE A 72 2.836 -2.419 -17.936 1.00 19.12 C ATOM 707 CG PHE A 72 3.227 -3.597 -17.063 1.00 18.86 C ATOM 708 CD1 PHE A 72 4.533 -4.098 -17.083 1.00 18.69 C ATOM 709 CD2 PHE A 72 2.285 -4.254 -16.286 1.00 18.67 C ATOM 710 CE1 PHE A 72 4.895 -5.194 -16.310 1.00 18.25 C ATOM 711 CE2 PHE A 72 2.631 -5.348 -15.508 1.00 18.45 C ATOM 712 CZ PHE A 72 3.954 -5.817 -15.508 1.00 18.24 C ATOM 713 H PHE A 72 1.855 -0.591 -15.996 1.00 0.00 H ATOM 714 N GLU A 73 4.061 0.346 -19.348 1.00 20.33 N ATOM 715 CA GLU A 73 3.870 1.098 -20.588 1.00 21.26 C ATOM 716 C GLU A 73 4.186 0.153 -21.734 1.00 21.20 C ATOM 717 O GLU A 73 5.223 -0.530 -21.727 1.00 20.57 O ATOM 718 CB GLU A 73 4.842 2.307 -20.680 1.00 22.18 C ATOM 719 CG GLU A 73 4.557 3.243 -21.870 1.00 23.81 C ATOM 720 CD GLU A 73 5.750 4.060 -22.354 1.00 25.03 C ATOM 721 OE1 GLU A 73 6.445 4.667 -21.514 1.00 25.10 O ATOM 722 OE2 GLU A 73 5.972 4.147 -23.606 1.00 26.60 O ATOM 723 H GLU A 73 5.027 0.058 -19.091 1.00 0.00 H ATOM 724 N PHE A 74 3.321 0.138 -22.727 1.00 21.73 N ATOM 725 CA PHE A 74 3.599 -0.513 -23.999 1.00 22.49 C ATOM 726 C PHE A 74 3.764 0.584 -25.039 1.00 23.78 C ATOM 727 O PHE A 74 2.900 1.490 -25.175 1.00 24.37 O ATOM 728 CB PHE A 74 2.481 -1.537 -24.354 1.00 22.66 C ATOM 729 CG PHE A 74 2.555 -2.790 -23.530 1.00 21.54 C ATOM 730 CD1 PHE A 74 1.906 -2.871 -22.311 1.00 20.74 C ATOM 731 CD2 PHE A 74 3.276 -3.879 -23.960 1.00 21.60 C ATOM 732 CE1 PHE A 74 2.015 -3.998 -21.509 1.00 19.91 C ATOM 733 CE2 PHE A 74 3.396 -5.023 -23.164 1.00 20.82 C ATOM 734 CZ PHE A 74 2.744 -5.094 -21.940 1.00 19.92 C ATOM 735 H PHE A 74 2.403 0.610 -22.597 1.00 0.00 H ATOM 736 N VAL A 75 4.867 0.532 -25.767 1.00 24.17 N ATOM 737 CA VAL A 75 5.114 1.510 -26.802 1.00 25.70 C ATOM 738 C VAL A 75 3.932 1.507 -27.793 1.00 27.02 C ATOM 739 O VAL A 75 3.419 0.447 -28.176 1.00 26.98 O ATOM 740 CB VAL A 75 6.450 1.259 -27.515 1.00 26.42 C ATOM 741 CG1 VAL A 75 6.601 2.150 -28.754 1.00 28.26 C ATOM 742 CG2 VAL A 75 7.604 1.538 -26.553 1.00 25.49 C ATOM 743 H VAL A 75 5.564 -0.220 -25.593 1.00 0.00 H ATOM 744 N GLY A 76 3.486 2.711 -28.150 1.00 28.07 N ATOM 745 CA GLY A 76 2.372 2.906 -29.055 1.00 29.65 C ATOM 746 C GLY A 76 0.995 2.775 -28.428 1.00 29.25 C ATOM 747 O GLY A 76 0.030 3.068 -29.100 1.00 30.59 O ATOM 748 H GLY A 76 3.960 3.550 -27.760 1.00 0.00 H ATOM 749 N GLU A 77 0.900 2.363 -27.167 1.00 27.72 N ATOM 750 CA GLU A 77 -0.379 2.173 -26.479 1.00 27.71 C ATOM 751 C GLU A 77 -0.596 3.380 -25.525 1.00 27.25 C ATOM 752 O GLU A 77 0.232 3.617 -24.643 1.00 25.56 O ATOM 753 CB GLU A 77 -0.415 0.804 -25.754 1.00 26.70 C ATOM 754 CG GLU A 77 -1.584 0.577 -24.800 1.00 26.56 C ATOM 755 CD GLU A 77 -2.950 0.831 -25.443 1.00 28.39 C ATOM 756 OE1 GLU A 77 -3.215 0.161 -26.499 1.00 29.82 O ATOM 757 OE2 GLU A 77 -3.739 1.695 -24.906 1.00 28.59 O ATOM 758 H GLU A 77 1.777 2.166 -26.644 1.00 0.00 H ATOM 759 N PRO A 78 -1.697 4.150 -25.722 1.00 28.43 N ATOM 760 CA PRO A 78 -1.890 5.360 -24.909 1.00 28.64 C ATOM 761 C PRO A 78 -2.099 5.127 -23.415 1.00 27.33 C ATOM 762 O PRO A 78 -1.579 5.878 -22.598 1.00 26.62 O ATOM 763 CB PRO A 78 -3.114 6.033 -25.559 1.00 30.45 C ATOM 764 CG PRO A 78 -3.824 4.906 -26.224 1.00 30.91 C ATOM 765 CD PRO A 78 -2.699 4.084 -26.793 1.00 30.19 C ATOM 766 N GLU A 79 -2.805 4.063 -23.072 1.00 27.27 N ATOM 767 CA GLU A 79 -3.139 3.754 -21.697 1.00 26.82 C ATOM 768 C GLU A 79 -2.023 2.975 -20.970 1.00 25.08 C ATOM 769 O GLU A 79 -1.507 2.013 -21.494 1.00 24.10 O ATOM 770 CB GLU A 79 -4.410 2.909 -21.681 1.00 28.17 C ATOM 771 CG GLU A 79 -5.083 2.811 -20.324 1.00 28.50 C ATOM 772 CD GLU A 79 -5.854 4.057 -19.958 1.00 30.76 C ATOM 773 OE1 GLU A 79 -5.883 5.016 -20.769 1.00 33.05 O ATOM 774 OE2 GLU A 79 -6.476 4.077 -18.857 1.00 32.07 O ATOM 775 H GLU A 79 -3.134 3.421 -23.821 1.00 0.00 H ATOM 776 N LEU A 80 -1.670 3.421 -19.774 1.00 24.38 N ATOM 777 CA LEU A 80 -0.751 2.700 -18.914 1.00 23.23 C ATOM 778 C LEU A 80 -1.535 1.647 -18.120 1.00 22.75 C ATOM 779 O LEU A 80 -2.769 1.830 -17.864 1.00 23.27 O ATOM 780 CB LEU A 80 -0.085 3.666 -17.948 1.00 23.24 C ATOM 781 CG LEU A 80 0.837 4.733 -18.536 1.00 24.00 C ATOM 782 CD1 LEU A 80 1.353 5.597 -17.395 1.00 24.14 C ATOM 783 CD2 LEU A 80 2.012 4.138 -19.277 1.00 23.66 C ATOM 784 H LEU A 80 -2.067 4.322 -19.439 1.00 0.00 H ATOM 785 N MET A 81 -0.854 0.558 -17.765 1.00 21.58 N ATOM 786 CA MET A 81 -1.447 -0.464 -16.919 1.00 21.44 C ATOM 787 C MET A 81 -0.963 -0.229 -15.497 1.00 20.67 C ATOM 788 O MET A 81 0.241 -0.115 -15.275 1.00 19.71 O ATOM 789 CB MET A 81 -1.082 -1.887 -17.349 1.00 21.38 C ATOM 790 CG MET A 81 -1.424 -2.266 -18.762 1.00 22.48 C ATOM 791 SD MET A 81 -0.962 -3.996 -19.087 1.00 23.26 S ATOM 792 CE MET A 81 -1.971 -4.952 -17.942 1.00 22.91 C ATOM 793 H MET A 81 0.123 0.437 -18.101 1.00 0.00 H ATOM 794 N ASP A 82 -1.915 -0.103 -14.564 1.00 20.39 N ATOM 795 CA ASP A 82 -1.616 0.080 -13.156 1.00 20.10 C ATOM 796 C ASP A 82 -2.025 -1.199 -12.461 1.00 19.28 C ATOM 797 O ASP A 82 -3.231 -1.417 -12.199 1.00 19.48 O ATOM 798 CB ASP A 82 -2.354 1.321 -12.602 1.00 21.30 C ATOM 799 CG ASP A 82 -2.109 1.553 -11.122 1.00 21.74 C ATOM 800 OD1 ASP A 82 -1.197 0.951 -10.565 1.00 21.92 O ATOM 801 OD2 ASP A 82 -2.826 2.340 -10.479 1.00 23.31 O ATOM 802 H ASP A 82 -2.911 -0.138 -14.861 1.00 0.00 H ATOM 803 N VAL A 83 -1.039 -2.068 -12.200 1.00 18.24 N ATOM 804 CA VAL A 83 -1.280 -3.394 -11.677 1.00 17.83 C ATOM 805 C VAL A 83 -1.040 -3.492 -10.198 1.00 17.71 C ATOM 806 O VAL A 83 0.090 -3.256 -9.729 1.00 17.47 O ATOM 807 CB VAL A 83 -0.421 -4.479 -12.384 1.00 17.43 C ATOM 808 CG1 VAL A 83 -0.944 -5.896 -12.069 1.00 17.26 C ATOM 809 CG2 VAL A 83 -0.442 -4.252 -13.881 1.00 17.79 C ATOM 810 H VAL A 83 -0.058 -1.776 -12.382 1.00 0.00 H ATOM 811 N HIS A 84 -2.082 -3.887 -9.464 1.00 17.83 N ATOM 812 CA HIS A 84 -2.006 -4.116 -8.034 1.00 18.16 C ATOM 813 C HIS A 84 -1.806 -5.584 -7.756 1.00 17.81 C ATOM 814 O HIS A 84 -2.636 -6.440 -8.132 1.00 17.83 O ATOM 815 CB HIS A 84 -3.260 -3.582 -7.324 1.00 19.23 C ATOM 816 CG HIS A 84 -3.334 -2.103 -7.322 1.00 20.04 C ATOM 817 ND1 HIS A 84 -3.486 -1.365 -6.168 1.00 21.07 N ATOM 818 CD2 HIS A 84 -3.193 -1.211 -8.329 1.00 20.17 C ATOM 819 CE1 HIS A 84 -3.475 -0.082 -6.476 1.00 21.70 C ATOM 820 NE2 HIS A 84 -3.277 0.035 -7.777 1.00 21.17 N ATOM 821 H HIS A 84 -2.994 -4.038 -9.941 1.00 0.00 H ATOM 822 N VAL A 85 -0.719 -5.905 -7.069 1.00 17.55 N ATOM 823 CA VAL A 85 -0.311 -7.298 -6.892 1.00 17.30 C ATOM 824 C VAL A 85 -0.670 -7.682 -5.481 1.00 17.97 C ATOM 825 O VAL A 85 -0.370 -6.939 -4.532 1.00 18.48 O ATOM 826 CB VAL A 85 1.198 -7.546 -7.105 1.00 16.98 C ATOM 827 CG1 VAL A 85 1.516 -9.043 -7.079 1.00 16.87 C ATOM 828 CG2 VAL A 85 1.633 -6.972 -8.440 1.00 16.60 C ATOM 829 H VAL A 85 -0.143 -5.149 -6.646 1.00 0.00 H ATOM 830 N PHE A 86 -1.320 -8.836 -5.362 1.00 18.04 N ATOM 831 CA PHE A 86 -1.627 -9.431 -4.067 1.00 18.90 C ATOM 832 C PHE A 86 -1.065 -10.832 -3.913 1.00 19.10 C ATOM 833 O PHE A 86 -0.794 -11.527 -4.915 1.00 18.63 O ATOM 834 CB PHE A 86 -3.141 -9.544 -3.879 1.00 19.22 C ATOM 835 CG PHE A 86 -3.870 -8.252 -3.976 1.00 19.34 C ATOM 836 CD1 PHE A 86 -4.227 -7.725 -5.212 1.00 18.88 C ATOM 837 CD2 PHE A 86 -4.217 -7.545 -2.825 1.00 20.29 C ATOM 838 CE1 PHE A 86 -4.916 -6.499 -5.295 1.00 19.23 C ATOM 839 CE2 PHE A 86 -4.914 -6.343 -2.914 1.00 20.70 C ATOM 840 CZ PHE A 86 -5.268 -5.836 -4.142 1.00 20.14 C ATOM 841 H PHE A 86 -1.621 -9.333 -6.225 1.00 0.00 H ATOM 842 N CYS A 87 -0.924 -11.263 -2.662 1.00 19.96 N ATOM 843 CA CYS A 87 -0.622 -12.650 -2.347 1.00 20.38 C ATOM 844 C CYS A 87 -1.557 -13.185 -1.287 1.00 21.39 C ATOM 845 O CYS A 87 -2.103 -12.438 -0.464 1.00 22.05 O ATOM 846 CB CYS A 87 0.808 -12.835 -1.845 1.00 20.72 C ATOM 847 SG CYS A 87 1.038 -12.390 -0.111 1.00 22.24 S ATOM 848 H CYS A 87 -1.034 -10.584 -1.882 1.00 0.00 H ATOM 849 N THR A 88 -1.696 -14.501 -1.304 1.00 21.67 N ATOM 850 CA THR A 88 -2.602 -15.223 -0.373 1.00 22.70 C ATOM 851 C THR A 88 -2.050 -16.604 -0.130 1.00 23.27 C ATOM 852 O THR A 88 -1.429 -17.186 -1.017 1.00 22.48 O ATOM 853 CB THR A 88 -4.034 -15.372 -0.920 1.00 22.40 C ATOM 854 OG1 THR A 88 -4.861 -15.965 0.085 1.00 23.40 O ATOM 855 CG2 THR A 88 -4.086 -16.229 -2.177 1.00 21.63 C ATOM 856 HG1 THR A 88 -4.870 -15.386 0.888 1.00 0.00 H ATOM 857 H THR A 88 -1.149 -15.052 -1.996 1.00 0.00 H ATOM 858 N ASP A 89 -2.292 -17.106 1.073 1.00 24.85 N ATOM 859 CA ASP A 89 -2.049 -18.495 1.428 1.00 25.99 C ATOM 860 C ASP A 89 -3.282 -18.989 2.181 1.00 27.24 C ATOM 861 O ASP A 89 -3.179 -19.702 3.163 1.00 28.69 O ATOM 862 CB ASP A 89 -0.803 -18.596 2.301 1.00 26.96 C ATOM 863 CG ASP A 89 -0.428 -20.028 2.627 1.00 28.07 C ATOM 864 OD1 ASP A 89 -0.910 -20.938 1.933 1.00 28.00 O ATOM 865 OD2 ASP A 89 0.327 -20.258 3.595 1.00 29.44 O ATOM 866 H ASP A 89 -2.676 -16.472 1.802 1.00 0.00 H ATOM 867 N SER A 90 -4.471 -18.608 1.729 1.00 27.07 N ATOM 868 CA SER A 90 -5.676 -19.048 2.434 1.00 28.36 C ATOM 869 C SER A 90 -6.747 -19.438 1.436 1.00 27.92 C ATOM 870 O SER A 90 -7.925 -19.022 1.575 1.00 28.23 O ATOM 871 CB SER A 90 -6.141 -17.959 3.431 1.00 29.22 C ATOM 872 OG SER A 90 -6.235 -16.667 2.810 1.00 28.18 O ATOM 873 HG SER A 90 -5.347 -16.406 2.458 1.00 0.00 H ATOM 874 H SER A 90 -4.545 -18.005 0.885 1.00 0.00 H ATOM 875 N ILE A 91 -6.358 -20.273 0.461 1.00 27.38 N ATOM 876 CA ILE A 91 -7.321 -20.648 -0.568 1.00 27.20 C ATOM 877 C ILE A 91 -8.363 -21.598 0.015 1.00 28.46 C ATOM 878 O ILE A 91 -8.088 -22.394 0.905 1.00 28.92 O ATOM 879 CB ILE A 91 -6.746 -21.221 -1.889 1.00 26.40 C ATOM 880 CG1 ILE A 91 -5.886 -22.470 -1.704 1.00 27.08 C ATOM 881 CG2 ILE A 91 -6.027 -20.148 -2.648 1.00 25.46 C ATOM 882 CD1 ILE A 91 -5.657 -23.234 -3.003 1.00 26.46 C ATOM 883 H ILE A 91 -5.387 -20.646 0.439 1.00 0.00 H ATOM 884 N GLN A 92 -9.563 -21.446 -0.509 1.00 28.83 N ATOM 885 CA GLN A 92 -10.715 -22.199 -0.127 1.00 30.51 C ATOM 886 C GLN A 92 -11.127 -22.814 -1.452 1.00 30.71 C ATOM 887 O GLN A 92 -11.529 -22.081 -2.427 1.00 30.58 O ATOM 888 CB GLN A 92 -11.790 -21.258 0.390 1.00 31.17 C ATOM 889 CG GLN A 92 -11.398 -20.463 1.633 1.00 31.83 C ATOM 890 CD GLN A 92 -12.277 -19.243 1.875 1.00 32.32 C ATOM 891 OE1 GLN A 92 -13.022 -18.808 0.988 1.00 32.06 O ATOM 892 NE2 GLN A 92 -12.173 -18.662 3.077 1.00 33.35 N ATOM 893 HE22 GLN A 92 -11.534 -19.061 3.794 1.00 0.00 H ATOM 894 HE21 GLN A 92 -12.731 -17.812 3.294 1.00 0.00 H ATOM 895 H GLN A 92 -9.679 -20.728 -1.252 1.00 0.00 H ATOM 896 N GLY A 93 -10.952 -24.123 -1.518 1.00 31.23 N ATOM 897 CA GLY A 93 -11.255 -24.933 -2.697 1.00 31.05 C ATOM 898 C GLY A 93 -10.036 -25.504 -3.400 1.00 30.20 C ATOM 899 O GLY A 93 -8.862 -25.334 -2.968 1.00 30.11 O ATOM 900 H GLY A 93 -10.575 -24.607 -0.678 1.00 0.00 H ATOM 901 N THR A 94 -10.322 -26.176 -4.510 1.00 29.97 N ATOM 902 CA THR A 94 -9.289 -26.761 -5.377 1.00 29.52 C ATOM 903 C THR A 94 -9.355 -26.022 -6.720 1.00 28.44 C ATOM 904 O THR A 94 -10.447 -25.774 -7.252 1.00 28.59 O ATOM 905 CB THR A 94 -9.435 -28.308 -5.542 1.00 30.78 C ATOM 906 OG1 THR A 94 -8.596 -28.776 -6.604 1.00 30.58 O ATOM 907 CG2 THR A 94 -10.882 -28.732 -5.841 1.00 31.74 C ATOM 908 HG1 THR A 94 -8.699 -29.756 -6.697 1.00 0.00 H ATOM 909 H THR A 94 -11.320 -26.293 -4.777 1.00 0.00 H ATOM 910 N PRO A 95 -8.203 -25.623 -7.263 1.00 27.10 N ATOM 911 CA PRO A 95 -8.311 -24.849 -8.494 1.00 26.31 C ATOM 912 C PRO A 95 -8.808 -25.644 -9.701 1.00 26.72 C ATOM 913 O PRO A 95 -8.483 -26.812 -9.825 1.00 27.40 O ATOM 914 CB PRO A 95 -6.881 -24.367 -8.744 1.00 25.43 C ATOM 915 CG PRO A 95 -5.997 -25.165 -7.856 1.00 25.93 C ATOM 916 CD PRO A 95 -6.839 -25.646 -6.723 1.00 26.83 C ATOM 917 N VAL A 96 -9.575 -25.011 -10.580 1.00 26.54 N ATOM 918 CA VAL A 96 -10.011 -25.660 -11.829 1.00 27.37 C ATOM 919 C VAL A 96 -9.882 -24.728 -13.025 1.00 26.56 C ATOM 920 O VAL A 96 -9.905 -23.496 -12.892 1.00 25.84 O ATOM 921 CB VAL A 96 -11.429 -26.240 -11.757 1.00 28.78 C ATOM 922 CG1 VAL A 96 -11.589 -27.177 -10.554 1.00 29.66 C ATOM 923 CG2 VAL A 96 -12.477 -25.145 -11.734 1.00 28.92 C ATOM 924 H VAL A 96 -9.875 -24.035 -10.383 1.00 0.00 H ATOM 925 N GLU A 97 -9.721 -25.343 -14.186 1.00 26.88 N ATOM 926 CA GLU A 97 -9.524 -24.644 -15.439 1.00 26.80 C ATOM 927 C GLU A 97 -10.791 -23.881 -15.821 1.00 27.19 C ATOM 928 O GLU A 97 -11.884 -24.387 -15.616 1.00 27.81 O ATOM 929 CB GLU A 97 -9.189 -25.659 -16.543 1.00 28.00 C ATOM 930 CG GLU A 97 -8.726 -25.051 -17.860 1.00 28.25 C ATOM 931 CD GLU A 97 -8.174 -26.067 -18.849 1.00 29.68 C ATOM 932 OE1 GLU A 97 -8.028 -27.293 -18.528 1.00 30.92 O ATOM 933 OE2 GLU A 97 -7.889 -25.637 -19.978 1.00 30.15 O ATOM 934 H GLU A 97 -9.737 -26.383 -14.199 1.00 0.00 H ATOM 935 N SER A 98 -10.599 -22.691 -16.369 1.00 26.59 N ATOM 936 CA SER A 98 -11.650 -21.806 -16.853 1.00 27.31 C ATOM 937 C SER A 98 -11.368 -21.588 -18.323 1.00 28.33 C ATOM 938 O SER A 98 -10.337 -22.071 -18.851 1.00 28.11 O ATOM 939 CB SER A 98 -11.577 -20.462 -16.119 1.00 26.20 C ATOM 940 OG SER A 98 -10.310 -19.812 -16.328 1.00 24.98 O ATOM 941 HG SER A 98 -9.583 -20.393 -15.990 1.00 0.00 H ATOM 942 H SER A 98 -9.617 -22.361 -16.461 1.00 0.00 H ATOM 943 N ASP A 99 -12.271 -20.868 -18.987 1.00 29.62 N ATOM 944 CA ASP A 99 -12.051 -20.323 -20.352 1.00 30.78 C ATOM 945 C ASP A 99 -10.747 -19.528 -20.507 1.00 29.65 C ATOM 946 O ASP A 99 -10.080 -19.635 -21.528 1.00 29.92 O ATOM 947 CB ASP A 99 -13.261 -19.470 -20.838 1.00 32.29 C ATOM 948 CG ASP A 99 -13.615 -18.297 -19.887 1.00 32.06 C ATOM 949 OD1 ASP A 99 -12.919 -18.097 -18.869 1.00 31.04 O ATOM 950 OD2 ASP A 99 -14.635 -17.567 -20.148 1.00 34.18 O ATOM 951 H ASP A 99 -13.182 -20.676 -18.524 1.00 0.00 H ATOM 952 N GLU A 100 -10.391 -18.765 -19.480 1.00 28.58 N ATOM 953 CA GLU A 100 -9.273 -17.842 -19.533 1.00 28.05 C ATOM 954 C GLU A 100 -7.930 -18.466 -19.097 1.00 26.49 C ATOM 955 O GLU A 100 -6.885 -18.081 -19.616 1.00 26.00 O ATOM 956 CB GLU A 100 -9.557 -16.617 -18.656 1.00 28.33 C ATOM 957 CG GLU A 100 -10.808 -15.845 -19.055 1.00 30.74 C ATOM 958 CD GLU A 100 -10.582 -14.809 -20.139 1.00 32.60 C ATOM 959 OE1 GLU A 100 -9.804 -15.061 -21.100 1.00 33.84 O ATOM 960 OE2 GLU A 100 -11.212 -13.709 -20.031 1.00 34.73 O ATOM 961 H GLU A 100 -10.938 -18.832 -18.598 1.00 0.00 H ATOM 962 N MET A 101 -7.969 -19.378 -18.123 1.00 25.59 N ATOM 963 CA MET A 101 -6.768 -19.846 -17.444 1.00 24.66 C ATOM 964 C MET A 101 -6.795 -21.356 -17.142 1.00 24.58 C ATOM 965 O MET A 101 -7.842 -21.940 -16.789 1.00 24.70 O ATOM 966 CB MET A 101 -6.586 -19.078 -16.125 1.00 24.17 C ATOM 967 CG MET A 101 -6.375 -17.573 -16.220 1.00 24.02 C ATOM 968 SD MET A 101 -4.692 -17.231 -16.736 1.00 24.54 S ATOM 969 CE MET A 101 -3.964 -16.813 -15.155 1.00 23.38 C ATOM 970 H MET A 101 -8.890 -19.769 -17.839 1.00 0.00 H ATOM 971 N ARG A 102 -5.622 -21.978 -17.287 1.00 23.88 N ATOM 972 CA ARG A 102 -5.402 -23.388 -16.911 1.00 24.10 C ATOM 973 C ARG A 102 -4.415 -23.383 -15.743 1.00 23.06 C ATOM 974 O ARG A 102 -3.213 -23.133 -15.947 1.00 22.31 O ATOM 975 CB ARG A 102 -4.871 -24.225 -18.096 1.00 25.00 C ATOM 976 CG ARG A 102 -4.313 -25.603 -17.743 1.00 25.55 C ATOM 977 CD ARG A 102 -4.096 -26.472 -18.971 1.00 26.97 C ATOM 978 NE ARG A 102 -3.089 -25.983 -19.914 1.00 27.11 N ATOM 979 CZ ARG A 102 -1.772 -26.240 -19.881 1.00 27.03 C ATOM 980 NH1 ARG A 102 -0.992 -25.741 -20.835 1.00 27.20 N ATOM 981 NH2 ARG A 102 -1.223 -26.986 -18.911 1.00 26.97 N ATOM 982 HE ARG A 102 -3.428 -25.376 -20.687 1.00 0.00 H ATOM 983 HH12 ARG A 102 0.030 -25.931 -20.823 1.00 0.00 H ATOM 984 HH11 ARG A 102 -1.404 -25.160 -21.593 1.00 0.00 H ATOM 985 HH22 ARG A 102 -0.199 -27.168 -18.912 1.00 0.00 H ATOM 986 HH21 ARG A 102 -1.821 -27.382 -18.158 1.00 0.00 H ATOM 987 H ARG A 102 -4.824 -21.442 -17.685 1.00 0.00 H ATOM 988 N PRO A 103 -4.909 -23.650 -14.527 1.00 22.80 N ATOM 989 CA PRO A 103 -4.030 -23.529 -13.369 1.00 22.03 C ATOM 990 C PRO A 103 -3.195 -24.745 -13.096 1.00 22.30 C ATOM 991 O PRO A 103 -3.622 -25.890 -13.319 1.00 23.06 O ATOM 992 CB PRO A 103 -4.974 -23.285 -12.197 1.00 22.05 C ATOM 993 CG PRO A 103 -6.335 -23.592 -12.686 1.00 22.97 C ATOM 994 CD PRO A 103 -6.301 -23.927 -14.144 1.00 23.44 C ATOM 995 N CYS A 104 -2.001 -24.487 -12.561 1.00 21.67 N ATOM 996 CA CYS A 104 -1.088 -25.562 -12.150 1.00 22.18 C ATOM 997 C CYS A 104 -0.215 -25.056 -11.012 1.00 21.71 C ATOM 998 O CYS A 104 0.148 -23.822 -10.954 1.00 20.49 O ATOM 999 CB CYS A 104 -0.180 -26.025 -13.298 1.00 22.74 C ATOM 1000 SG CYS A 104 -0.954 -27.064 -14.549 1.00 23.91 S ATOM 1001 H CYS A 104 -1.708 -23.498 -12.431 1.00 0.00 H ATOM 1002 N TRP A 105 0.116 -25.980 -10.105 1.00 22.22 N ATOM 1003 CA TRP A 105 1.065 -25.718 -9.030 1.00 22.23 C ATOM 1004 C TRP A 105 2.502 -25.847 -9.521 1.00 22.63 C ATOM 1005 O TRP A 105 2.791 -26.749 -10.308 1.00 23.41 O ATOM 1006 CB TRP A 105 0.874 -26.661 -7.856 1.00 23.02 C ATOM 1007 CG TRP A 105 -0.398 -26.433 -7.133 1.00 22.79 C ATOM 1008 CD1 TRP A 105 -1.518 -27.200 -7.204 1.00 23.29 C ATOM 1009 CD2 TRP A 105 -0.692 -25.372 -6.220 1.00 22.16 C ATOM 1010 NE1 TRP A 105 -2.500 -26.691 -6.397 1.00 23.10 N ATOM 1011 CE2 TRP A 105 -2.027 -25.576 -5.767 1.00 22.45 C ATOM 1012 CE3 TRP A 105 0.024 -24.260 -5.752 1.00 21.50 C ATOM 1013 CZ2 TRP A 105 -2.659 -24.715 -4.856 1.00 22.22 C ATOM 1014 CZ3 TRP A 105 -0.596 -23.410 -4.835 1.00 21.32 C ATOM 1015 CH2 TRP A 105 -1.948 -23.640 -4.411 1.00 21.73 C ATOM 1016 HE1 TRP A 105 -3.454 -27.090 -6.282 1.00 0.00 H ATOM 1017 H TRP A 105 -0.320 -26.922 -10.169 1.00 0.00 H ATOM 1018 N PHE A 106 3.387 -24.962 -9.044 1.00 22.31 N ATOM 1019 CA PHE A 106 4.821 -25.016 -9.320 1.00 23.11 C ATOM 1020 C PHE A 106 5.611 -24.939 -8.028 1.00 23.98 C ATOM 1021 O PHE A 106 5.358 -24.071 -7.199 1.00 23.70 O ATOM 1022 CB PHE A 106 5.261 -23.845 -10.224 1.00 22.12 C ATOM 1023 CG PHE A 106 4.690 -23.934 -11.604 1.00 21.89 C ATOM 1024 CD1 PHE A 106 3.404 -23.478 -11.863 1.00 21.24 C ATOM 1025 CD2 PHE A 106 5.378 -24.589 -12.611 1.00 22.56 C ATOM 1026 CE1 PHE A 106 2.862 -23.598 -13.126 1.00 21.35 C ATOM 1027 CE2 PHE A 106 4.838 -24.702 -13.885 1.00 22.69 C ATOM 1028 CZ PHE A 106 3.560 -24.233 -14.132 1.00 22.07 C ATOM 1029 H PHE A 106 3.033 -24.191 -8.442 1.00 0.00 H ATOM 1030 N GLN A 107 6.600 -25.811 -7.906 1.00 25.48 N ATOM 1031 CA GLN A 107 7.603 -25.736 -6.858 1.00 26.61 C ATOM 1032 C GLN A 107 8.381 -24.461 -7.040 1.00 26.03 C ATOM 1033 O GLN A 107 8.559 -23.970 -8.162 1.00 25.02 O ATOM 1034 CB GLN A 107 8.550 -26.952 -6.899 1.00 28.41 C ATOM 1035 CG GLN A 107 7.807 -28.266 -6.680 1.00 29.67 C ATOM 1036 CD GLN A 107 7.468 -28.553 -5.215 1.00 30.90 C ATOM 1037 OE1 GLN A 107 8.344 -29.031 -4.460 1.00 32.95 O ATOM 1038 NE2 GLN A 107 6.191 -28.339 -4.809 1.00 30.34 N ATOM 1039 HE22 GLN A 107 5.495 -27.939 -5.471 1.00 0.00 H ATOM 1040 HE21 GLN A 107 5.908 -28.575 -3.836 1.00 0.00 H ATOM 1041 H GLN A 107 6.662 -26.588 -8.595 1.00 0.00 H ATOM 1042 N LEU A 108 8.812 -23.915 -5.912 1.00 26.80 N ATOM 1043 CA LEU A 108 9.395 -22.584 -5.868 1.00 26.63 C ATOM 1044 C LEU A 108 10.741 -22.525 -6.584 1.00 27.33 C ATOM 1045 O LEU A 108 11.058 -21.496 -7.136 1.00 26.95 O ATOM 1046 CB LEU A 108 9.498 -22.072 -4.430 1.00 27.10 C ATOM 1047 CG LEU A 108 8.141 -21.881 -3.741 1.00 26.88 C ATOM 1048 CD1 LEU A 108 8.371 -21.219 -2.385 1.00 27.71 C ATOM 1049 CD2 LEU A 108 7.166 -21.050 -4.573 1.00 25.38 C ATOM 1050 H LEU A 108 8.730 -24.457 -5.028 1.00 0.00 H ATOM 1051 N ASP A 109 11.438 -23.654 -6.676 1.00 28.85 N ATOM 1052 CA ASP A 109 12.636 -23.758 -7.510 1.00 29.61 C ATOM 1053 C ASP A 109 12.372 -24.249 -8.954 1.00 29.37 C ATOM 1054 O ASP A 109 13.316 -24.565 -9.668 1.00 29.91 O ATOM 1055 CB ASP A 109 13.660 -24.673 -6.814 1.00 31.76 C ATOM 1056 CG ASP A 109 13.164 -26.100 -6.632 1.00 32.91 C ATOM 1057 OD1 ASP A 109 11.952 -26.405 -6.752 1.00 32.64 O ATOM 1058 OD2 ASP A 109 14.006 -26.933 -6.331 1.00 34.97 O ATOM 1059 H ASP A 109 11.122 -24.487 -6.140 1.00 0.00 H ATOM 1060 N GLN A 110 11.099 -24.315 -9.380 1.00 28.30 N ATOM 1061 CA GLN A 110 10.728 -24.721 -10.741 1.00 28.21 C ATOM 1062 C GLN A 110 9.714 -23.718 -11.358 1.00 26.63 C ATOM 1063 O GLN A 110 8.841 -24.081 -12.168 1.00 26.28 O ATOM 1064 CB GLN A 110 10.147 -26.114 -10.706 1.00 29.29 C ATOM 1065 CG GLN A 110 11.147 -27.152 -10.195 1.00 31.39 C ATOM 1066 CD GLN A 110 10.672 -28.554 -10.425 1.00 32.66 C ATOM 1067 OE1 GLN A 110 9.591 -28.936 -9.978 1.00 32.75 O ATOM 1068 NE2 GLN A 110 11.489 -29.355 -11.100 1.00 34.63 N ATOM 1069 HE22 GLN A 110 12.394 -28.991 -11.460 1.00 0.00 H ATOM 1070 HE21 GLN A 110 11.224 -30.346 -11.268 1.00 0.00 H ATOM 1071 H GLN A 110 10.340 -24.067 -8.713 1.00 0.00 H ATOM 1072 N ILE A 111 9.847 -22.456 -10.984 1.00 25.49 N ATOM 1073 CA ILE A 111 9.029 -21.417 -11.545 1.00 24.53 C ATOM 1074 C ILE A 111 9.384 -21.261 -13.027 1.00 24.37 C ATOM 1075 O ILE A 111 10.555 -21.182 -13.368 1.00 24.57 O ATOM 1076 CB ILE A 111 9.140 -20.112 -10.751 1.00 24.04 C ATOM 1077 CG1 ILE A 111 8.509 -20.308 -9.362 1.00 24.42 C ATOM 1078 CG2 ILE A 111 8.342 -19.008 -11.442 1.00 22.97 C ATOM 1079 CD1 ILE A 111 9.042 -19.318 -8.347 1.00 24.56 C ATOM 1080 H ILE A 111 10.560 -22.211 -10.268 1.00 0.00 H ATOM 1081 N PRO A 112 8.365 -21.244 -13.912 1.00 23.78 N ATOM 1082 CA PRO A 112 8.681 -21.367 -15.325 1.00 24.23 C ATOM 1083 C PRO A 112 8.947 -20.003 -15.978 1.00 23.54 C ATOM 1084 O PRO A 112 8.210 -19.565 -16.886 1.00 23.20 O ATOM 1085 CB PRO A 112 7.437 -22.060 -15.868 1.00 24.48 C ATOM 1086 CG PRO A 112 6.339 -21.420 -15.069 1.00 23.48 C ATOM 1087 CD PRO A 112 6.925 -21.428 -13.672 1.00 23.45 C ATOM 1088 N PHE A 113 9.997 -19.334 -15.514 1.00 23.06 N ATOM 1089 CA PHE A 113 10.288 -17.973 -15.921 1.00 22.54 C ATOM 1090 C PHE A 113 10.411 -17.785 -17.425 1.00 22.70 C ATOM 1091 O PHE A 113 10.002 -16.749 -17.913 1.00 22.16 O ATOM 1092 CB PHE A 113 11.536 -17.418 -15.207 1.00 22.74 C ATOM 1093 CG PHE A 113 11.303 -17.076 -13.766 1.00 22.51 C ATOM 1094 CD1 PHE A 113 10.475 -16.012 -13.410 1.00 21.82 C ATOM 1095 CD2 PHE A 113 11.937 -17.791 -12.751 1.00 23.47 C ATOM 1096 CE1 PHE A 113 10.258 -15.695 -12.080 1.00 21.58 C ATOM 1097 CE2 PHE A 113 11.732 -17.455 -11.412 1.00 23.20 C ATOM 1098 CZ PHE A 113 10.872 -16.447 -11.081 1.00 22.15 C ATOM 1099 H PHE A 113 10.632 -19.802 -14.836 1.00 0.00 H ATOM 1100 N LYS A 114 10.927 -18.782 -18.155 1.00 23.73 N ATOM 1101 CA LYS A 114 11.080 -18.653 -19.616 1.00 24.47 C ATOM 1102 C LYS A 114 9.720 -18.642 -20.351 1.00 24.23 C ATOM 1103 O LYS A 114 9.630 -18.187 -21.497 1.00 24.60 O ATOM 1104 CB LYS A 114 12.012 -19.738 -20.172 1.00 26.01 C ATOM 1105 CG LYS A 114 13.468 -19.531 -19.772 1.00 26.51 C ATOM 1106 CD LYS A 114 14.383 -20.601 -20.355 1.00 28.28 C ATOM 1107 CE LYS A 114 15.823 -20.406 -19.912 1.00 28.85 C ATOM 1108 NZ LYS A 114 16.645 -21.571 -20.323 1.00 30.73 N ATOM 1109 HZ1 LYS A 114 16.266 -22.434 -19.883 1.00 0.00 H ATOM 1110 HZ2 LYS A 114 16.616 -21.667 -21.358 1.00 0.00 H ATOM 1111 HZ3 LYS A 114 17.628 -21.426 -20.015 1.00 0.00 H ATOM 1112 H LYS A 114 11.224 -19.661 -17.684 1.00 0.00 H ATOM 1113 N ASP A 115 8.674 -19.130 -19.694 1.00 23.50 N ATOM 1114 CA ASP A 115 7.308 -19.089 -20.263 1.00 23.35 C ATOM 1115 C ASP A 115 6.382 -18.114 -19.473 1.00 21.70 C ATOM 1116 O ASP A 115 5.154 -18.281 -19.456 1.00 21.40 O ATOM 1117 CB ASP A 115 6.745 -20.505 -20.304 1.00 24.36 C ATOM 1118 CG ASP A 115 7.406 -21.373 -21.345 1.00 26.28 C ATOM 1119 OD1 ASP A 115 7.604 -20.908 -22.482 1.00 27.43 O ATOM 1120 OD2 ASP A 115 7.695 -22.557 -21.053 1.00 27.34 O ATOM 1121 H ASP A 115 8.818 -19.552 -18.755 1.00 0.00 H ATOM 1122 N MET A 116 6.999 -17.122 -18.830 1.00 20.56 N ATOM 1123 CA MET A 116 6.328 -16.010 -18.132 1.00 19.55 C ATOM 1124 C MET A 116 6.715 -14.676 -18.760 1.00 19.50 C ATOM 1125 O MET A 116 7.641 -14.610 -19.559 1.00 20.14 O ATOM 1126 CB MET A 116 6.694 -16.003 -16.645 1.00 18.78 C ATOM 1127 CG MET A 116 6.114 -17.199 -15.900 1.00 18.80 C ATOM 1128 SD MET A 116 6.865 -17.675 -14.350 1.00 18.64 S ATOM 1129 CE MET A 116 6.045 -16.530 -13.245 1.00 17.84 C ATOM 1130 H MET A 116 8.039 -17.134 -18.820 1.00 0.00 H ATOM 1131 N TRP A 117 6.040 -13.605 -18.347 1.00 18.91 N ATOM 1132 CA TRP A 117 6.401 -12.271 -18.787 1.00 18.93 C ATOM 1133 C TRP A 117 7.845 -11.963 -18.327 1.00 18.93 C ATOM 1134 O TRP A 117 8.221 -12.357 -17.247 1.00 18.65 O ATOM 1135 CB TRP A 117 5.406 -11.227 -18.266 1.00 18.37 C ATOM 1136 CG TRP A 117 4.176 -11.188 -19.086 1.00 18.71 C ATOM 1137 CD1 TRP A 117 3.047 -11.943 -18.923 1.00 18.88 C ATOM 1138 CD2 TRP A 117 3.951 -10.362 -20.222 1.00 19.35 C ATOM 1139 NE1 TRP A 117 2.132 -11.645 -19.904 1.00 19.49 N ATOM 1140 CE2 TRP A 117 2.656 -10.655 -20.703 1.00 19.84 C ATOM 1141 CE3 TRP A 117 4.711 -9.385 -20.878 1.00 19.63 C ATOM 1142 CZ2 TRP A 117 2.117 -10.007 -21.828 1.00 20.66 C ATOM 1143 CZ3 TRP A 117 4.187 -8.753 -21.982 1.00 20.39 C ATOM 1144 CH2 TRP A 117 2.902 -9.066 -22.451 1.00 21.09 C ATOM 1145 HE1 TRP A 117 1.201 -12.092 -20.022 1.00 0.00 H ATOM 1146 H TRP A 117 5.238 -13.728 -17.696 1.00 0.00 H ATOM 1147 N PRO A 118 8.659 -11.332 -19.169 1.00 19.54 N ATOM 1148 CA PRO A 118 10.053 -11.121 -18.723 1.00 19.75 C ATOM 1149 C PRO A 118 10.215 -10.263 -17.473 1.00 19.00 C ATOM 1150 O PRO A 118 11.122 -10.505 -16.717 1.00 19.13 O ATOM 1151 CB PRO A 118 10.764 -10.510 -19.948 1.00 20.57 C ATOM 1152 CG PRO A 118 9.721 -10.356 -21.002 1.00 20.85 C ATOM 1153 CD PRO A 118 8.395 -10.792 -20.502 1.00 20.22 C ATOM 1154 N ASP A 119 9.313 -9.330 -17.209 1.00 18.56 N ATOM 1155 CA ASP A 119 9.362 -8.573 -15.953 1.00 18.27 C ATOM 1156 C ASP A 119 9.259 -9.422 -14.694 1.00 18.25 C ATOM 1157 O ASP A 119 9.843 -9.051 -13.667 1.00 17.93 O ATOM 1158 CB ASP A 119 8.317 -7.471 -15.913 1.00 18.03 C ATOM 1159 CG ASP A 119 6.919 -8.000 -16.113 1.00 17.88 C ATOM 1160 OD1 ASP A 119 6.656 -8.396 -17.263 1.00 18.32 O ATOM 1161 OD2 ASP A 119 6.132 -8.043 -15.136 1.00 17.35 O ATOM 1162 H ASP A 119 8.561 -9.132 -17.900 1.00 0.00 H ATOM 1163 N ASP A 120 8.558 -10.570 -14.764 1.00 18.58 N ATOM 1164 CA ASP A 120 8.433 -11.462 -13.588 1.00 19.06 C ATOM 1165 C ASP A 120 9.783 -11.949 -13.061 1.00 19.30 C ATOM 1166 O ASP A 120 9.924 -12.146 -11.862 1.00 19.40 O ATOM 1167 CB ASP A 120 7.569 -12.691 -13.880 1.00 19.72 C ATOM 1168 CG ASP A 120 6.135 -12.361 -14.040 1.00 19.85 C ATOM 1169 OD1 ASP A 120 5.821 -11.314 -14.626 1.00 20.55 O ATOM 1170 OD2 ASP A 120 5.294 -13.137 -13.573 1.00 20.79 O ATOM 1171 H ASP A 120 8.097 -10.834 -15.658 1.00 0.00 H ATOM 1172 N SER A 121 10.775 -12.084 -13.946 1.00 19.44 N ATOM 1173 CA SER A 121 12.142 -12.442 -13.514 1.00 20.18 C ATOM 1174 C SER A 121 12.745 -11.422 -12.546 1.00 19.92 C ATOM 1175 O SER A 121 13.602 -11.794 -11.757 1.00 20.16 O ATOM 1176 CB SER A 121 13.098 -12.623 -14.714 1.00 20.86 C ATOM 1177 OG SER A 121 12.629 -13.661 -15.556 1.00 21.33 O ATOM 1178 HG SER A 121 11.726 -13.431 -15.890 1.00 0.00 H ATOM 1179 H SER A 121 10.582 -11.934 -14.957 1.00 0.00 H ATOM 1180 N TYR A 122 12.265 -10.181 -12.570 1.00 19.30 N ATOM 1181 CA TYR A 122 12.771 -9.102 -11.694 1.00 19.56 C ATOM 1182 C TYR A 122 12.018 -9.021 -10.385 1.00 19.07 C ATOM 1183 O TYR A 122 12.614 -8.909 -9.328 1.00 19.11 O ATOM 1184 CB TYR A 122 12.723 -7.739 -12.405 1.00 19.78 C ATOM 1185 CG TYR A 122 13.665 -7.651 -13.570 1.00 20.65 C ATOM 1186 CD1 TYR A 122 15.008 -7.264 -13.393 1.00 21.79 C ATOM 1187 CD2 TYR A 122 13.251 -7.995 -14.846 1.00 20.92 C ATOM 1188 CE1 TYR A 122 15.884 -7.228 -14.469 1.00 22.45 C ATOM 1189 CE2 TYR A 122 14.127 -7.941 -15.925 1.00 21.71 C ATOM 1190 CZ TYR A 122 15.418 -7.546 -15.721 1.00 22.47 C ATOM 1191 OH TYR A 122 16.256 -7.497 -16.780 1.00 23.86 O ATOM 1192 HH TYR A 122 17.150 -7.196 -16.479 1.00 0.00 H ATOM 1193 H TYR A 122 11.498 -9.959 -13.236 1.00 0.00 H ATOM 1194 N TRP A 123 10.689 -9.056 -10.442 1.00 18.24 N ATOM 1195 CA TRP A 123 9.912 -8.792 -9.229 1.00 18.38 C ATOM 1196 C TRP A 123 9.429 -10.024 -8.476 1.00 18.63 C ATOM 1197 O TRP A 123 9.224 -9.960 -7.264 1.00 18.45 O ATOM 1198 CB TRP A 123 8.728 -7.842 -9.512 1.00 17.75 C ATOM 1199 CG TRP A 123 7.752 -8.326 -10.521 1.00 17.31 C ATOM 1200 CD1 TRP A 123 7.735 -8.001 -11.825 1.00 17.00 C ATOM 1201 CD2 TRP A 123 6.614 -9.178 -10.293 1.00 17.05 C ATOM 1202 NE1 TRP A 123 6.690 -8.599 -12.443 1.00 17.00 N ATOM 1203 CE2 TRP A 123 5.971 -9.326 -11.531 1.00 16.90 C ATOM 1204 CE3 TRP A 123 6.096 -9.847 -9.168 1.00 17.29 C ATOM 1205 CZ2 TRP A 123 4.831 -10.112 -11.702 1.00 16.80 C ATOM 1206 CZ3 TRP A 123 4.941 -10.658 -9.337 1.00 17.33 C ATOM 1207 CH2 TRP A 123 4.326 -10.779 -10.594 1.00 16.89 C ATOM 1208 HE1 TRP A 123 6.467 -8.519 -13.456 1.00 0.00 H ATOM 1209 H TRP A 123 10.207 -9.269 -11.339 1.00 0.00 H ATOM 1210 N PHE A 124 9.214 -11.128 -9.195 1.00 19.09 N ATOM 1211 CA PHE A 124 8.765 -12.373 -8.554 1.00 19.81 C ATOM 1212 C PHE A 124 9.694 -12.814 -7.407 1.00 20.65 C ATOM 1213 O PHE A 124 9.223 -13.231 -6.338 1.00 20.75 O ATOM 1214 CB PHE A 124 8.558 -13.479 -9.620 1.00 20.51 C ATOM 1215 CG PHE A 124 7.464 -14.443 -9.288 1.00 20.99 C ATOM 1216 CD1 PHE A 124 7.729 -15.568 -8.568 1.00 21.88 C ATOM 1217 CD2 PHE A 124 6.187 -14.220 -9.729 1.00 21.16 C ATOM 1218 CE1 PHE A 124 6.742 -16.478 -8.259 1.00 22.47 C ATOM 1219 CE2 PHE A 124 5.174 -15.133 -9.434 1.00 21.59 C ATOM 1220 CZ PHE A 124 5.458 -16.259 -8.673 1.00 21.85 C ATOM 1221 H PHE A 124 9.366 -11.107 -10.224 1.00 0.00 H ATOM 1222 N PRO A 125 11.033 -12.682 -7.577 1.00 21.13 N ATOM 1223 CA PRO A 125 11.871 -13.008 -6.434 1.00 22.22 C ATOM 1224 C PRO A 125 11.596 -12.151 -5.175 1.00 22.47 C ATOM 1225 O PRO A 125 11.685 -12.671 -4.064 1.00 23.32 O ATOM 1226 CB PRO A 125 13.287 -12.798 -6.982 1.00 22.95 C ATOM 1227 CG PRO A 125 13.114 -13.166 -8.431 1.00 22.31 C ATOM 1228 CD PRO A 125 11.853 -12.438 -8.771 1.00 21.17 C ATOM 1229 N LEU A 126 11.210 -10.888 -5.347 1.00 21.81 N ATOM 1230 CA LEU A 126 10.891 -10.023 -4.203 1.00 22.36 C ATOM 1231 C LEU A 126 9.598 -10.501 -3.494 1.00 22.36 C ATOM 1232 O LEU A 126 9.525 -10.529 -2.270 1.00 22.92 O ATOM 1233 CB LEU A 126 10.778 -8.563 -4.623 1.00 21.87 C ATOM 1234 CG LEU A 126 11.999 -7.923 -5.297 1.00 22.14 C ATOM 1235 CD1 LEU A 126 11.641 -6.552 -5.803 1.00 21.74 C ATOM 1236 CD2 LEU A 126 13.202 -7.822 -4.369 1.00 23.31 C ATOM 1237 H LEU A 126 11.133 -10.506 -6.311 1.00 0.00 H ATOM 1238 N LEU A 127 8.615 -10.914 -4.277 1.00 21.86 N ATOM 1239 CA LEU A 127 7.421 -11.556 -3.717 1.00 22.52 C ATOM 1240 C LEU A 127 7.771 -12.821 -2.915 1.00 23.42 C ATOM 1241 O LEU A 127 7.306 -12.995 -1.779 1.00 23.96 O ATOM 1242 CB LEU A 127 6.446 -11.844 -4.850 1.00 22.06 C ATOM 1243 CG LEU A 127 5.103 -12.519 -4.532 1.00 22.55 C ATOM 1244 CD1 LEU A 127 3.946 -11.701 -5.079 1.00 22.55 C ATOM 1245 CD2 LEU A 127 5.087 -13.869 -5.201 1.00 23.02 C ATOM 1246 H LEU A 127 8.690 -10.781 -5.306 1.00 0.00 H ATOM 1247 N LEU A 128 8.656 -13.661 -3.465 1.00 23.71 N ATOM 1248 CA LEU A 128 9.086 -14.888 -2.787 1.00 25.02 C ATOM 1249 C LEU A 128 9.815 -14.616 -1.500 1.00 26.40 C ATOM 1250 O LEU A 128 9.720 -15.385 -0.546 1.00 27.75 O ATOM 1251 CB LEU A 128 9.971 -15.730 -3.709 1.00 25.32 C ATOM 1252 CG LEU A 128 9.318 -16.324 -4.964 1.00 24.70 C ATOM 1253 CD1 LEU A 128 10.303 -17.268 -5.660 1.00 25.62 C ATOM 1254 CD2 LEU A 128 8.036 -17.043 -4.621 1.00 24.93 C ATOM 1255 H LEU A 128 9.050 -13.437 -4.401 1.00 0.00 H ATOM 1256 N GLN A 129 10.556 -13.519 -1.480 1.00 26.28 N ATOM 1257 CA GLN A 129 11.268 -13.057 -0.307 1.00 27.62 C ATOM 1258 C GLN A 129 10.390 -12.231 0.654 1.00 28.10 C ATOM 1259 O GLN A 129 10.871 -11.744 1.664 1.00 29.28 O ATOM 1260 CB GLN A 129 12.507 -12.233 -0.756 1.00 27.55 C ATOM 1261 CG GLN A 129 13.578 -13.050 -1.498 1.00 27.72 C ATOM 1262 CD GLN A 129 14.501 -12.199 -2.348 1.00 27.36 C ATOM 1263 OE1 GLN A 129 14.808 -11.064 -1.993 1.00 27.35 O ATOM 1264 NE2 GLN A 129 14.945 -12.742 -3.480 1.00 27.06 N ATOM 1265 HE22 GLN A 129 14.659 -13.707 -3.741 1.00 0.00 H ATOM 1266 HE21 GLN A 129 15.578 -12.201 -4.103 1.00 0.00 H ATOM 1267 H GLN A 129 10.631 -12.959 -2.353 1.00 0.00 H ATOM 1268 N LYS A 130 9.109 -12.074 0.351 1.00 27.55 N ATOM 1269 CA LYS A 130 8.188 -11.369 1.235 1.00 28.52 C ATOM 1270 C LYS A 130 8.548 -9.882 1.376 1.00 28.51 C ATOM 1271 O LYS A 130 8.378 -9.291 2.428 1.00 29.81 O ATOM 1272 CB LYS A 130 8.072 -12.095 2.596 1.00 30.64 C ATOM 1273 CG LYS A 130 7.566 -13.564 2.498 1.00 31.24 C ATOM 1274 CD LYS A 130 6.049 -13.584 2.273 1.00 31.02 C ATOM 1275 CE LYS A 130 5.451 -14.905 1.755 1.00 31.00 C ATOM 1276 NZ LYS A 130 4.040 -14.673 1.247 1.00 30.13 N ATOM 1277 HZ1 LYS A 130 3.449 -14.310 2.022 1.00 0.00 H ATOM 1278 HZ2 LYS A 130 4.061 -13.980 0.472 1.00 0.00 H ATOM 1279 HZ3 LYS A 130 3.646 -15.571 0.900 1.00 0.00 H ATOM 1280 H LYS A 130 8.750 -12.465 -0.543 1.00 0.00 H ATOM 1281 N LYS A 131 9.032 -9.292 0.283 1.00 27.43 N ATOM 1282 CA LYS A 131 9.367 -7.870 0.206 1.00 27.37 C ATOM 1283 C LYS A 131 8.316 -7.165 -0.612 1.00 25.81 C ATOM 1284 O LYS A 131 8.008 -7.618 -1.706 1.00 25.58 O ATOM 1285 CB LYS A 131 10.669 -7.668 -0.553 1.00 27.38 C ATOM 1286 CG LYS A 131 11.882 -8.391 0.003 1.00 28.98 C ATOM 1287 CD LYS A 131 11.947 -8.359 1.511 1.00 30.98 C ATOM 1288 CE LYS A 131 13.378 -8.603 1.996 1.00 32.72 C ATOM 1289 NZ LYS A 131 13.384 -8.788 3.468 1.00 34.70 N ATOM 1290 HZ1 LYS A 131 13.006 -7.934 3.925 1.00 0.00 H ATOM 1291 HZ2 LYS A 131 12.792 -9.606 3.716 1.00 0.00 H ATOM 1292 HZ3 LYS A 131 14.359 -8.953 3.791 1.00 0.00 H ATOM 1293 H LYS A 131 9.180 -9.877 -0.564 1.00 0.00 H ATOM 1294 N LYS A 132 7.815 -6.040 -0.126 1.00 25.60 N ATOM 1295 CA LYS A 132 6.857 -5.224 -0.873 1.00 24.32 C ATOM 1296 C LYS A 132 7.611 -4.369 -1.872 1.00 22.96 C ATOM 1297 O LYS A 132 8.743 -3.942 -1.557 1.00 23.26 O ATOM 1298 CB LYS A 132 6.062 -4.333 0.082 1.00 25.69 C ATOM 1299 CG LYS A 132 5.381 -5.058 1.253 1.00 27.08 C ATOM 1300 CD LYS A 132 4.244 -4.191 1.803 1.00 28.15 C ATOM 1301 CE LYS A 132 4.046 -4.239 3.298 1.00 30.24 C ATOM 1302 NZ LYS A 132 3.462 -5.542 3.685 1.00 30.42 N ATOM 1303 HZ1 LYS A 132 2.544 -5.663 3.212 1.00 0.00 H ATOM 1304 HZ2 LYS A 132 4.105 -6.308 3.398 1.00 0.00 H ATOM 1305 HZ3 LYS A 132 3.328 -5.568 4.716 1.00 0.00 H ATOM 1306 H LYS A 132 8.113 -5.725 0.819 1.00 0.00 H ATOM 1307 N PHE A 133 7.035 -4.139 -3.056 1.00 21.08 N ATOM 1308 CA PHE A 133 7.743 -3.430 -4.140 1.00 20.35 C ATOM 1309 C PHE A 133 6.884 -2.531 -5.038 1.00 19.46 C ATOM 1310 O PHE A 133 5.668 -2.690 -5.126 1.00 18.75 O ATOM 1311 CB PHE A 133 8.457 -4.443 -5.042 1.00 19.84 C ATOM 1312 CG PHE A 133 7.532 -5.376 -5.754 1.00 19.29 C ATOM 1313 CD1 PHE A 133 7.029 -5.058 -6.999 1.00 18.81 C ATOM 1314 CD2 PHE A 133 7.112 -6.566 -5.150 1.00 19.73 C ATOM 1315 CE1 PHE A 133 6.143 -5.903 -7.657 1.00 18.34 C ATOM 1316 CE2 PHE A 133 6.216 -7.417 -5.787 1.00 19.17 C ATOM 1317 CZ PHE A 133 5.736 -7.087 -7.053 1.00 18.53 C ATOM 1318 H PHE A 133 6.062 -4.468 -3.218 1.00 0.00 H ATOM 1319 N HIS A 134 7.555 -1.619 -5.730 1.00 19.14 N ATOM 1320 CA HIS A 134 6.968 -0.777 -6.779 1.00 18.66 C ATOM 1321 C HIS A 134 7.855 -0.962 -7.988 1.00 18.20 C ATOM 1322 O HIS A 134 9.119 -0.897 -7.898 1.00 18.44 O ATOM 1323 CB HIS A 134 6.942 0.697 -6.380 1.00 19.49 C ATOM 1324 CG HIS A 134 5.771 1.097 -5.516 1.00 20.05 C ATOM 1325 ND1 HIS A 134 5.596 2.394 -5.076 1.00 21.05 N ATOM 1326 CD2 HIS A 134 4.704 0.398 -5.055 1.00 20.11 C ATOM 1327 CE1 HIS A 134 4.478 2.474 -4.361 1.00 21.63 C ATOM 1328 NE2 HIS A 134 3.925 1.275 -4.319 1.00 21.09 N ATOM 1329 H HIS A 134 8.565 -1.492 -5.515 1.00 0.00 H ATOM 1330 N GLY A 135 7.221 -1.243 -9.111 1.00 17.52 N ATOM 1331 CA GLY A 135 7.916 -1.508 -10.348 1.00 17.22 C ATOM 1332 C GLY A 135 7.354 -0.680 -11.461 1.00 17.24 C ATOM 1333 O GLY A 135 6.160 -0.354 -11.459 1.00 17.14 O ATOM 1334 H GLY A 135 6.182 -1.275 -9.104 1.00 0.00 H ATOM 1335 N TYR A 136 8.215 -0.363 -12.426 1.00 17.45 N ATOM 1336 CA TYR A 136 7.806 0.242 -13.681 1.00 17.71 C ATOM 1337 C TYR A 136 8.514 -0.493 -14.799 1.00 17.51 C ATOM 1338 O TYR A 136 9.739 -0.586 -14.751 1.00 17.62 O ATOM 1339 CB TYR A 136 8.177 1.718 -13.723 1.00 18.66 C ATOM 1340 CG TYR A 136 8.106 2.321 -15.119 1.00 19.45 C ATOM 1341 CD1 TYR A 136 6.896 2.537 -15.709 1.00 19.71 C ATOM 1342 CD2 TYR A 136 9.257 2.657 -15.852 1.00 20.16 C ATOM 1343 CE1 TYR A 136 6.789 3.086 -16.978 1.00 20.60 C ATOM 1344 CE2 TYR A 136 9.157 3.224 -17.148 1.00 20.93 C ATOM 1345 CZ TYR A 136 7.904 3.421 -17.699 1.00 21.25 C ATOM 1346 OH TYR A 136 7.682 3.964 -18.962 1.00 22.47 O ATOM 1347 HH TYR A 136 6.708 4.006 -19.135 1.00 0.00 H ATOM 1348 H TYR A 136 9.225 -0.557 -12.274 1.00 0.00 H ATOM 1349 N PHE A 137 7.791 -0.993 -15.798 1.00 17.20 N ATOM 1350 CA PHE A 137 8.435 -1.623 -16.968 1.00 17.49 C ATOM 1351 C PHE A 137 7.850 -1.046 -18.250 1.00 18.10 C ATOM 1352 O PHE A 137 6.635 -0.978 -18.386 1.00 17.85 O ATOM 1353 CB PHE A 137 8.239 -3.125 -16.958 1.00 17.16 C ATOM 1354 CG PHE A 137 8.872 -3.800 -15.778 1.00 16.87 C ATOM 1355 CD1 PHE A 137 8.214 -3.832 -14.562 1.00 16.50 C ATOM 1356 CD2 PHE A 137 10.104 -4.396 -15.890 1.00 17.07 C ATOM 1357 CE1 PHE A 137 8.772 -4.422 -13.454 1.00 16.55 C ATOM 1358 CE2 PHE A 137 10.676 -5.005 -14.781 1.00 17.13 C ATOM 1359 CZ PHE A 137 9.986 -5.035 -13.562 1.00 16.76 C ATOM 1360 H PHE A 137 6.753 -0.939 -15.754 1.00 0.00 H ATOM 1361 N LYS A 138 8.738 -0.615 -19.157 1.00 18.63 N ATOM 1362 CA LYS A 138 8.369 -0.106 -20.465 1.00 19.55 C ATOM 1363 C LYS A 138 8.695 -1.185 -21.486 1.00 20.00 C ATOM 1364 O LYS A 138 9.852 -1.571 -21.608 1.00 20.01 O ATOM 1365 CB LYS A 138 9.140 1.201 -20.793 1.00 20.26 C ATOM 1366 CG LYS A 138 8.887 1.743 -22.184 1.00 21.34 C ATOM 1367 CD LYS A 138 9.769 2.921 -22.492 1.00 22.13 C ATOM 1368 CE LYS A 138 9.552 3.511 -23.878 1.00 23.48 C ATOM 1369 NZ LYS A 138 10.600 4.566 -24.137 1.00 24.26 N ATOM 1370 HZ1 LYS A 138 10.520 5.316 -23.421 1.00 0.00 H ATOM 1371 HZ2 LYS A 138 11.545 4.135 -24.084 1.00 0.00 H ATOM 1372 HZ3 LYS A 138 10.455 4.972 -25.084 1.00 0.00 H ATOM 1373 H LYS A 138 9.748 -0.647 -18.910 1.00 0.00 H ATOM 1374 N PHE A 139 7.680 -1.633 -22.230 1.00 20.47 N ATOM 1375 CA PHE A 139 7.798 -2.719 -23.191 1.00 21.36 C ATOM 1376 C PHE A 139 7.720 -2.205 -24.628 1.00 23.08 C ATOM 1377 O PHE A 139 6.981 -1.258 -24.932 1.00 23.04 O ATOM 1378 CB PHE A 139 6.680 -3.741 -22.971 1.00 21.16 C ATOM 1379 CG PHE A 139 6.989 -4.819 -21.963 1.00 20.40 C ATOM 1380 CD1 PHE A 139 6.757 -4.620 -20.617 1.00 19.62 C ATOM 1381 CD2 PHE A 139 7.466 -6.056 -22.383 1.00 20.76 C ATOM 1382 CE1 PHE A 139 6.996 -5.632 -19.695 1.00 19.04 C ATOM 1383 CE2 PHE A 139 7.733 -7.067 -21.474 1.00 20.29 C ATOM 1384 CZ PHE A 139 7.505 -6.848 -20.118 1.00 19.42 C ATOM 1385 H PHE A 139 6.751 -1.179 -22.116 1.00 0.00 H ATOM 1386 N GLN A 140 8.530 -2.794 -25.506 1.00 24.61 N ATOM 1387 CA GLN A 140 8.317 -2.743 -26.945 1.00 26.87 C ATOM 1388 C GLN A 140 7.786 -4.116 -27.296 1.00 27.32 C ATOM 1389 O GLN A 140 8.548 -5.121 -27.230 1.00 27.33 O ATOM 1390 CB GLN A 140 9.623 -2.504 -27.689 1.00 28.51 C ATOM 1391 CG GLN A 140 9.491 -2.367 -29.193 1.00 30.93 C ATOM 1392 CD GLN A 140 9.271 -0.927 -29.630 1.00 32.54 C ATOM 1393 OE1 GLN A 140 10.139 -0.038 -29.421 1.00 33.68 O ATOM 1394 NE2 GLN A 140 8.132 -0.674 -30.263 1.00 33.94 N ATOM 1395 HE22 GLN A 140 7.441 -1.436 -30.415 1.00 0.00 H ATOM 1396 HE21 GLN A 140 7.930 0.287 -30.607 1.00 0.00 H ATOM 1397 H GLN A 140 9.355 -3.316 -25.146 1.00 0.00 H ATOM 1398 N GLY A 141 6.493 -4.176 -27.618 1.00 27.89 N ATOM 1399 CA GLY A 141 5.821 -5.434 -27.921 1.00 28.26 C ATOM 1400 C GLY A 141 5.786 -6.277 -26.677 1.00 27.12 C ATOM 1401 O GLY A 141 5.860 -5.749 -25.591 1.00 26.52 O ATOM 1402 H GLY A 141 5.944 -3.293 -27.654 1.00 0.00 H ATOM 1403 N GLN A 142 5.711 -7.591 -26.823 1.00 27.55 N ATOM 1404 CA GLN A 142 5.549 -8.508 -25.677 1.00 26.49 C ATOM 1405 C GLN A 142 6.833 -9.102 -25.081 1.00 25.50 C ATOM 1406 O GLN A 142 6.774 -9.705 -24.011 1.00 24.14 O ATOM 1407 CB GLN A 142 4.669 -9.674 -26.089 1.00 27.81 C ATOM 1408 CG GLN A 142 3.247 -9.280 -26.385 1.00 29.04 C ATOM 1409 CD GLN A 142 2.391 -10.480 -26.734 1.00 30.50 C ATOM 1410 OE1 GLN A 142 2.408 -11.495 -26.035 1.00 31.00 O ATOM 1411 NE2 GLN A 142 1.634 -10.373 -27.827 1.00 32.81 N ATOM 1412 HE22 GLN A 142 1.651 -9.497 -28.388 1.00 0.00 H ATOM 1413 HE21 GLN A 142 1.027 -11.165 -28.119 1.00 0.00 H ATOM 1414 H GLN A 142 5.768 -7.992 -27.781 1.00 0.00 H ATOM 1415 N ASP A 143 7.979 -8.928 -25.752 1.00 25.82 N ATOM 1416 CA ASP A 143 9.237 -9.576 -25.347 1.00 25.47 C ATOM 1417 C ASP A 143 10.391 -8.671 -24.823 1.00 24.86 C ATOM 1418 O ASP A 143 11.327 -9.177 -24.168 1.00 24.57 O ATOM 1419 CB ASP A 143 9.796 -10.377 -26.534 1.00 27.01 C ATOM 1420 CG ASP A 143 8.850 -11.485 -27.010 1.00 27.81 C ATOM 1421 OD1 ASP A 143 8.018 -11.998 -26.221 1.00 26.99 O ATOM 1422 OD2 ASP A 143 8.943 -11.821 -28.201 1.00 29.33 O ATOM 1423 H ASP A 143 7.980 -8.312 -26.590 1.00 0.00 H ATOM 1424 N THR A 144 10.360 -7.377 -25.141 1.00 24.39 N ATOM 1425 CA THR A 144 11.493 -6.477 -24.902 1.00 24.15 C ATOM 1426 C THR A 144 11.183 -5.406 -23.891 1.00 22.80 C ATOM 1427 O THR A 144 10.309 -4.564 -24.123 1.00 22.84 O ATOM 1428 CB THR A 144 11.911 -5.808 -26.214 1.00 25.43 C ATOM 1429 OG1 THR A 144 12.073 -6.839 -27.178 1.00 26.64 O ATOM 1430 CG2 THR A 144 13.209 -5.058 -26.054 1.00 25.67 C ATOM 1431 HG1 THR A 144 11.216 -7.322 -27.290 1.00 0.00 H ATOM 1432 H THR A 144 9.498 -6.990 -25.576 1.00 0.00 H ATOM 1433 N ILE A 145 11.860 -5.479 -22.754 1.00 21.87 N ATOM 1434 CA ILE A 145 11.859 -4.436 -21.766 1.00 21.32 C ATOM 1435 C ILE A 145 12.896 -3.367 -22.164 1.00 21.97 C ATOM 1436 O ILE A 145 14.115 -3.650 -22.271 1.00 22.48 O ATOM 1437 CB ILE A 145 12.188 -4.976 -20.375 1.00 20.75 C ATOM 1438 CG1 ILE A 145 11.066 -5.909 -19.907 1.00 20.27 C ATOM 1439 CG2 ILE A 145 12.396 -3.832 -19.377 1.00 20.33 C ATOM 1440 CD1 ILE A 145 11.533 -6.851 -18.821 1.00 20.15 C ATOM 1441 H ILE A 145 12.421 -6.335 -22.567 1.00 0.00 H ATOM 1442 N LEU A 146 12.422 -2.147 -22.402 1.00 21.84 N ATOM 1443 CA LEU A 146 13.309 -1.065 -22.835 1.00 22.72 C ATOM 1444 C LEU A 146 13.869 -0.300 -21.631 1.00 22.30 C ATOM 1445 O LEU A 146 15.058 0.036 -21.560 1.00 22.72 O ATOM 1446 CB LEU A 146 12.550 -0.116 -23.769 1.00 23.42 C ATOM 1447 CG LEU A 146 12.046 -0.676 -25.106 1.00 24.34 C ATOM 1448 CD1 LEU A 146 11.238 0.390 -25.830 1.00 25.25 C ATOM 1449 CD2 LEU A 146 13.157 -1.160 -26.013 1.00 25.49 C ATOM 1450 H LEU A 146 11.407 -1.959 -22.279 1.00 0.00 H ATOM 1451 N ASP A 147 12.979 0.022 -20.708 1.00 21.59 N ATOM 1452 CA ASP A 147 13.334 0.660 -19.469 1.00 21.39 C ATOM 1453 C ASP A 147 12.601 -0.063 -18.330 1.00 20.21 C ATOM 1454 O ASP A 147 11.506 -0.600 -18.510 1.00 19.26 O ATOM 1455 CB ASP A 147 12.897 2.128 -19.408 1.00 22.20 C ATOM 1456 CG ASP A 147 13.269 2.933 -20.629 1.00 23.58 C ATOM 1457 OD1 ASP A 147 14.353 2.784 -21.160 1.00 24.31 O ATOM 1458 OD2 ASP A 147 12.478 3.832 -20.991 1.00 24.74 O ATOM 1459 H ASP A 147 11.978 -0.196 -20.886 1.00 0.00 H ATOM 1460 N TYR A 148 13.204 -0.030 -17.144 1.00 19.77 N ATOM 1461 CA TYR A 148 12.487 -0.418 -15.942 1.00 18.98 C ATOM 1462 C TYR A 148 13.048 0.228 -14.676 1.00 19.01 C ATOM 1463 O TYR A 148 14.253 0.593 -14.612 1.00 19.38 O ATOM 1464 CB TYR A 148 12.447 -1.963 -15.823 1.00 18.72 C ATOM 1465 CG TYR A 148 13.670 -2.579 -15.179 1.00 18.98 C ATOM 1466 CD1 TYR A 148 13.726 -2.719 -13.801 1.00 19.00 C ATOM 1467 CD2 TYR A 148 14.735 -3.071 -15.939 1.00 19.69 C ATOM 1468 CE1 TYR A 148 14.833 -3.270 -13.180 1.00 19.52 C ATOM 1469 CE2 TYR A 148 15.847 -3.663 -15.323 1.00 20.20 C ATOM 1470 CZ TYR A 148 15.884 -3.730 -13.939 1.00 20.13 C ATOM 1471 OH TYR A 148 16.944 -4.278 -13.263 1.00 21.09 O ATOM 1472 HH TYR A 148 16.774 -4.228 -12.289 1.00 0.00 H ATOM 1473 H TYR A 148 14.196 0.276 -17.077 1.00 0.00 H ATOM 1474 N THR A 149 12.185 0.372 -13.678 1.00 18.45 N ATOM 1475 CA THR A 149 12.628 0.622 -12.314 1.00 18.83 C ATOM 1476 C THR A 149 11.992 -0.364 -11.328 1.00 18.48 C ATOM 1477 O THR A 149 10.905 -0.905 -11.550 1.00 17.63 O ATOM 1478 CB THR A 149 12.330 2.060 -11.815 1.00 19.33 C ATOM 1479 OG1 THR A 149 10.925 2.238 -11.694 1.00 18.75 O ATOM 1480 CG2 THR A 149 12.855 3.115 -12.747 1.00 19.83 C ATOM 1481 HG1 THR A 149 10.565 1.582 -11.046 1.00 0.00 H ATOM 1482 H THR A 149 11.166 0.305 -13.875 1.00 0.00 H ATOM 1483 N LEU A 150 12.668 -0.570 -10.216 1.00 18.98 N ATOM 1484 CA LEU A 150 12.188 -1.503 -9.207 1.00 19.05 C ATOM 1485 C LEU A 150 12.804 -1.158 -7.880 1.00 20.18 C ATOM 1486 O LEU A 150 14.026 -1.057 -7.772 1.00 20.78 O ATOM 1487 CB LEU A 150 12.494 -2.943 -9.608 1.00 18.70 C ATOM 1488 CG LEU A 150 12.028 -4.094 -8.721 1.00 18.63 C ATOM 1489 CD1 LEU A 150 10.519 -4.127 -8.581 1.00 18.01 C ATOM 1490 CD2 LEU A 150 12.547 -5.421 -9.275 1.00 18.65 C ATOM 1491 H LEU A 150 13.559 -0.058 -10.057 1.00 0.00 H ATOM 1492 N ARG A 151 11.967 -0.923 -6.880 1.00 20.74 N ATOM 1493 CA ARG A 151 12.468 -0.756 -5.521 1.00 22.13 C ATOM 1494 C ARG A 151 11.518 -1.402 -4.539 1.00 22.28 C ATOM 1495 O ARG A 151 10.352 -1.716 -4.877 1.00 21.30 O ATOM 1496 CB ARG A 151 12.610 0.719 -5.172 1.00 23.15 C ATOM 1497 CG ARG A 151 11.278 1.481 -5.074 1.00 23.21 C ATOM 1498 CD ARG A 151 11.550 2.939 -4.795 1.00 24.48 C ATOM 1499 NE ARG A 151 10.350 3.720 -4.482 1.00 25.01 N ATOM 1500 CZ ARG A 151 9.866 3.913 -3.251 1.00 26.40 C ATOM 1501 NH1 ARG A 151 10.446 3.370 -2.160 1.00 27.59 N ATOM 1502 NH2 ARG A 151 8.788 4.677 -3.086 1.00 26.81 N ATOM 1503 HE ARG A 151 9.838 4.156 -5.275 1.00 0.00 H ATOM 1504 HH12 ARG A 151 10.042 3.541 -1.217 1.00 0.00 H ATOM 1505 HH11 ARG A 151 11.297 2.780 -2.262 1.00 0.00 H ATOM 1506 HH22 ARG A 151 8.403 4.834 -2.133 1.00 0.00 H ATOM 1507 HH21 ARG A 151 8.331 5.117 -3.910 1.00 0.00 H ATOM 1508 H ARG A 151 10.946 -0.857 -7.066 1.00 0.00 H ATOM 1509 N GLU A 152 12.015 -1.551 -3.317 1.00 23.40 N ATOM 1510 CA GLU A 152 11.223 -2.073 -2.221 1.00 24.14 C ATOM 1511 C GLU A 152 10.570 -0.871 -1.532 1.00 24.74 C ATOM 1512 O GLU A 152 11.128 0.237 -1.512 1.00 25.19 O ATOM 1513 CB GLU A 152 12.063 -2.888 -1.237 1.00 25.64 C ATOM 1514 CG GLU A 152 12.603 -4.205 -1.790 1.00 25.66 C ATOM 1515 CD GLU A 152 13.520 -4.049 -3.008 1.00 25.69 C ATOM 1516 OE1 GLU A 152 13.040 -4.313 -4.151 1.00 25.32 O ATOM 1517 OE2 GLU A 152 14.713 -3.666 -2.844 1.00 27.10 O ATOM 1518 H GLU A 152 13.005 -1.285 -3.140 1.00 0.00 H ATOM 1519 N VAL A 153 9.374 -1.110 -1.003 1.00 24.71 N ATOM 1520 CA VAL A 153 8.612 -0.103 -0.294 1.00 25.67 C ATOM 1521 C VAL A 153 8.166 -0.625 1.063 1.00 26.92 C ATOM 1522 O VAL A 153 8.123 -1.831 1.308 1.00 26.54 O ATOM 1523 CB VAL A 153 7.386 0.364 -1.100 1.00 24.72 C ATOM 1524 CG1 VAL A 153 7.832 0.967 -2.418 1.00 23.81 C ATOM 1525 CG2 VAL A 153 6.393 -0.785 -1.341 1.00 23.85 C ATOM 1526 H VAL A 153 8.968 -2.062 -1.103 1.00 0.00 H ATOM 1527 N ASP A 154 7.872 0.316 1.945 1.00 28.65 N ATOM 1528 CA ASP A 154 7.205 0.015 3.203 1.00 30.38 C ATOM 1529 C ASP A 154 5.698 0.007 3.040 1.00 29.74 C ATOM 1530 O ASP A 154 5.038 -0.742 3.755 1.00 30.34 O ATOM 1531 CB ASP A 154 7.619 1.008 4.307 1.00 32.87 C ATOM 1532 CG ASP A 154 8.996 0.699 4.865 1.00 34.46 C ATOM 1533 OD1 ASP A 154 9.321 -0.511 4.992 1.00 34.98 O ATOM 1534 OD2 ASP A 154 9.736 1.654 5.163 1.00 35.85 O ATOM 1535 H ASP A 154 8.126 1.302 1.733 1.00 0.00 H ATOM 1536 N THR A 155 5.175 0.820 2.116 1.00 28.72 N ATOM 1537 CA THR A 155 3.726 0.920 1.862 1.00 28.32 C ATOM 1538 C THR A 155 3.491 0.727 0.383 1.00 26.51 C ATOM 1539 O THR A 155 4.039 1.473 -0.435 1.00 25.71 O ATOM 1540 CB THR A 155 3.151 2.293 2.301 1.00 29.51 C ATOM 1541 OG1 THR A 155 3.453 2.513 3.675 1.00 31.41 O ATOM 1542 CG2 THR A 155 1.603 2.375 2.128 1.00 29.47 C ATOM 1543 HG1 THR A 155 4.435 2.509 3.801 1.00 0.00 H ATOM 1544 H THR A 155 5.820 1.409 1.551 1.00 0.00 H ATOM 1545 N VAL A 156 2.677 -0.277 0.046 1.00 25.84 N ATOM 1546 CA VAL A 156 2.347 -0.572 -1.354 1.00 24.59 C ATOM 1547 C VAL A 156 1.469 0.541 -1.914 1.00 24.92 C ATOM 1548 O VAL A 156 0.575 0.979 -1.195 1.00 25.90 O ATOM 1549 CB VAL A 156 1.636 -1.941 -1.522 1.00 24.07 C ATOM 1550 CG1 VAL A 156 1.241 -2.167 -2.978 1.00 22.89 C ATOM 1551 CG2 VAL A 156 2.521 -3.100 -1.047 1.00 24.02 C ATOM 1552 OXT VAL A 156 1.623 1.028 -3.051 1.00 24.36 O ATOM 1553 H VAL A 156 2.265 -0.867 0.797 1.00 0.00 H TER 1554 VAL A 156 HETATM 1555 O HOH 1 -20.227 0.985 -14.918 1.00 30.15 O HETATM 1556 O HOH 2 -12.129 -24.128 -7.845 1.00 37.44 O HETATM 1557 O HOH 3 -3.548 -2.410 -3.923 1.00 28.82 O HETATM 1558 O HOH 4 -1.876 -17.617 -8.088 1.00 20.31 O HETATM 1559 O HOH 5 -15.906 -20.961 -7.059 1.00 37.87 O HETATM 1560 O HOH 6 6.690 7.856 -17.331 1.00 37.44 O HETATM 1561 O HOH 7 -3.223 3.023 -8.044 1.00 32.40 O HETATM 1562 O HOH 8 -12.669 -4.368 -0.737 1.00 34.06 O HETATM 1563 O HOH 9 -0.077 -13.513 -20.014 1.00 24.59 O HETATM 1564 O HOH 10 13.336 3.785 -23.919 1.00 32.44 O HETATM 1565 O HOH 11 -11.034 -20.222 -23.848 1.00 33.23 O HETATM 1566 O HOH 12 -0.263 -14.539 2.059 1.00 33.43 O HETATM 1567 O HOH 13 -8.394 5.712 -18.254 1.00 39.05 O HETATM 1568 O HOH 14 -0.956 0.162 0.732 1.00 31.48 O HETATM 1569 O HOH 15 8.900 -25.222 -14.496 1.00 36.06 O HETATM 1570 O HOH 16 -14.654 -16.851 1.503 1.00 39.27 O HETATM 1571 O HOH 17 -16.672 -7.460 -7.470 1.00 27.86 O HETATM 1572 O HOH 18 -6.570 -4.769 0.098 1.00 33.65 O HETATM 1573 O HOH 19 9.074 -7.440 -28.326 1.00 27.19 O HETATM 1574 O HOH 20 12.781 -13.222 2.685 1.00 43.68 O HETATM 1575 O HOH 21 -14.662 -20.717 -17.911 1.00 30.84 O HETATM 1576 O HOH 22 -14.700 -21.468 -2.309 1.00 40.31 O HETATM 1577 O HOH 23 -17.777 -12.894 -11.555 1.00 36.82 O HETATM 1578 O HOH 24 4.246 -13.356 -26.390 1.00 38.75 O HETATM 1579 O HOH 25 15.154 -8.289 -8.961 1.00 32.09 O HETATM 1580 O HOH 26 10.109 -14.363 -20.489 1.00 35.54 O HETATM 1581 O HOH 27 -0.824 -23.197 3.321 1.00 34.83 O HETATM 1582 O HOH 28 3.873 -13.885 -16.373 1.00 18.30 O HETATM 1583 O HOH 29 2.663 -13.166 -13.097 1.00 19.01 O HETATM 1584 O HOH 30 5.370 4.366 3.471 1.00 37.99 O HETATM 1585 O HOH 31 3.189 -18.939 1.978 1.00 43.30 O HETATM 1586 O HOH 32 -2.177 7.520 -20.568 1.00 32.54 O HETATM 1587 O HOH 33 -16.714 -1.588 -15.374 1.00 33.27 O HETATM 1588 O HOH 34 12.935 -21.769 -12.283 1.00 40.77 O HETATM 1589 O HOH 35 -9.602 -7.116 -11.118 1.00 22.75 O HETATM 1590 O HOH 36 -5.243 -5.611 -20.945 1.00 46.24 O HETATM 1591 O HOH 37 -4.156 -28.112 -14.760 1.00 26.26 O HETATM 1592 O HOH 38 2.619 4.882 -24.752 1.00 24.60 O HETATM 1593 O HOH 39 -16.486 -17.017 -18.255 1.00 38.03 O HETATM 1594 O HOH 40 16.907 -5.223 -3.119 1.00 39.83 O HETATM 1595 O HOH 41 7.129 -27.792 -10.014 1.00 27.64 O HETATM 1596 O HOH 42 -8.129 -9.467 2.640 1.00 24.93 O HETATM 1597 O HOH 43 -5.760 7.274 -14.885 1.00 39.55 O HETATM 1598 O HOH 44 0.760 -4.516 2.315 1.00 39.13 O HETATM 1599 O HOH 45 -2.459 -0.536 -21.671 1.00 36.19 O HETATM 1600 O HOH 46 -11.768 -15.343 -5.020 1.00 20.64 O HETATM 1601 O HOH 47 10.116 -14.247 -16.703 1.00 15.73 O HETATM 1602 O HOH 48 -5.165 -6.379 1.364 1.00 35.80 O HETATM 1603 O HOH 49 9.522 -25.781 -3.427 1.00 33.77 O HETATM 1604 O HOH 50 10.118 1.388 -9.216 1.00 23.69 O HETATM 1605 O HOH 51 -0.247 -14.499 -27.307 1.00 47.93 O HETATM 1606 O HOH 52 3.967 9.284 -19.752 1.00 31.12 O HETATM 1607 O HOH 53 -0.512 -11.846 -26.909 1.00 41.41 O HETATM 1608 O HOH 54 -0.609 -28.634 -10.424 1.00 23.65 O HETATM 1609 O HOH 55 9.177 -4.456 1.699 1.00 34.39 O HETATM 1610 O HOH 56 9.763 4.722 -12.189 1.00 25.54 O HETATM 1611 O HOH 57 1.097 1.992 -22.519 1.00 19.64 O HETATM 1612 O HOH 58 4.785 -12.345 -0.732 1.00 35.32 O HETATM 1613 O HOH 59 -1.637 11.733 -15.392 1.00 39.46 O HETATM 1614 O HOH 60 -4.529 -13.695 -16.693 1.00 31.05 O HETATM 1615 O HOH 61 4.253 -2.224 -27.846 1.00 25.42 O HETATM 1616 O HOH 62 3.606 -25.899 0.387 1.00 23.96 O HETATM 1617 O HOH 63 4.077 -28.217 -6.689 1.00 31.49 O HETATM 1618 O HOH 64 -12.683 -27.071 -16.073 1.00 34.49 O HETATM 1619 O HOH 65 -1.556 -4.369 -4.170 1.00 24.38 O HETATM 1620 O HOH 66 -3.484 -21.574 0.651 1.00 32.08 O HETATM 1621 O HOH 67 -4.803 -0.864 -20.116 1.00 30.03 O HETATM 1622 O HOH 68 -12.876 -7.483 -15.584 1.00 37.78 O HETATM 1623 O HOH 69 -10.208 -19.996 4.707 1.00 44.90 O HETATM 1624 O HOH 70 8.335 -17.933 -0.644 1.00 32.48 O HETATM 1625 O HOH 71 -6.512 -3.315 -1.906 1.00 37.50 O HETATM 1626 O HOH 72 -17.236 -9.992 -14.761 1.00 33.27 O HETATM 1627 O HOH 73 16.762 -11.366 -5.312 1.00 44.61 O HETATM 1628 O HOH 74 -7.334 -10.944 -22.511 1.00 45.59 O HETATM 1629 O HOH 75 1.481 -15.964 0.636 1.00 33.23 O HETATM 1630 O HOH 76 -9.703 -8.308 -17.659 1.00 26.30 O HETATM 1631 O HOH 77 1.834 -29.484 -5.912 1.00 27.49 O HETATM 1632 O HOH 78 6.295 -19.271 0.440 1.00 33.40 O HETATM 1633 O HOH 79 -10.985 -0.881 -20.351 1.00 43.71 O HETATM 1634 O HOH 80 -12.263 -14.658 -2.492 1.00 19.84 O HETATM 1635 O HOH 81 1.393 -1.920 2.176 1.00 34.50 O HETATM 1636 O HOH 82 5.587 -8.344 -29.706 1.00 44.78 O HETATM 1637 O HOH 83 -15.475 -9.934 -5.161 1.00 34.53 O HETATM 1638 O HOH 84 12.362 -21.224 -9.925 1.00 29.61 O HETATM 1639 O HOH 85 5.137 1.670 -9.500 1.00 36.48 O HETATM 1640 O HOH 86 -19.497 -3.997 -10.134 1.00 37.28 O HETATM 1641 O HOH 87 12.087 -21.317 -16.948 1.00 34.65 O HETATM 1642 O HOH 88 14.111 -15.511 -4.414 1.00 39.87 O HETATM 1643 O HOH 89 14.676 -14.651 -11.541 1.00 36.46 O HETATM 1644 O HOH 90 13.717 -11.203 -18.193 1.00 32.91 O HETATM 1645 O HOH 91 13.686 -7.886 -22.191 1.00 34.01 O HETATM 1646 O HOH 92 -9.415 -28.420 -14.192 1.00 29.10 O HETATM 1647 O HOH 93 6.895 5.480 -26.279 1.00 27.85 O HETATM 1648 O HOH 94 -3.792 -14.623 -28.297 1.00 49.96 O HETATM 1649 O HOH 95 -13.439 -27.069 -4.423 1.00 38.20 O HETATM 1650 O HOH 96 -7.081 -9.165 -24.354 1.00 42.58 O HETATM 1651 O HOH 97 -6.116 -10.922 -18.030 1.00 36.95 O HETATM 1652 O HOH 98 16.085 -5.108 -19.767 1.00 44.14 O HETATM 1653 O HOH 99 4.847 -29.244 -8.936 1.00 40.60 O HETATM 1654 O HOH 100 14.892 -15.966 -13.838 1.00 51.42 O HETATM 1655 O HOH 101 5.383 -9.730 0.099 1.00 29.09 O HETATM 1656 O HOH 102 -4.195 -28.129 -10.290 1.00 37.20 O HETATM 1657 O HOH 103 4.308 -9.011 2.304 1.00 41.24 O HETATM 1658 O HOH 104 -7.178 -0.627 -21.728 1.00 40.12 O HETATM 1659 O HOH 105 16.018 -11.428 -16.659 1.00 40.12 O HETATM 1660 O HOH 106 6.656 -28.141 -12.765 1.00 44.53 O HETATM 1661 O HOH 107 12.628 -13.716 -19.788 1.00 45.22 O HETATM 1662 O HOH 108 -15.632 -10.708 -2.542 1.00 48.75 O HETATM 1663 O HOH 109 -0.864 -3.425 -25.770 1.00 46.74 O HETATM 1664 O HOH 110 0.282 -30.376 -8.120 1.00 45.29 O HETATM 1665 O HOH 111 -1.791 -2.810 -23.448 1.00 42.10 O HETATM 1666 O HOH 112 1.282 -3.964 -27.356 1.00 46.70 O HETATM 1667 C1 C A 8 3.156 -8.961 -16.925 1.00 0.12 C HETATM 1668 C2 C A 8 1.802 -9.264 -17.249 1.00 0.02 C HETATM 1669 C3 C A 8 1.349 -10.228 -16.278 1.00 -0.06 C HETATM 1670 C4 C A 8 2.397 -10.448 -15.424 1.00 0.02 C HETATM 1671 N1 C A 8 3.474 -9.687 -15.809 1.00 -0.27 N HETATM 1672 H13 C A 8 4.385 -9.666 -15.329 1.00 0.23 H HETATM 1673 H14 C A 8 2.379 -11.123 -14.570 1.00 0.09 H HETATM 1674 H1 C A 8 0.365 -10.691 -16.232 1.00 0.03 H HETATM 1675 C5 C A 8 1.281 -8.584 -18.378 1.00 0.05 C HETATM 1676 C16 C A 8 2.160 -7.703 -19.038 1.00 -0.03 C HETATM 1677 C17 C A 8 3.466 -7.504 -18.577 1.00 -0.02 C HETATM 1678 N3 C A 8 3.997 -8.123 -17.528 1.00 -0.31 N HETATM 1679 H17 C A 8 4.088 -6.796 -19.113 1.00 0.07 H HETATM 1680 H12 C A 8 1.819 -7.170 -19.918 1.00 0.05 H HETATM 1681 N2 C A 8 0.015 -8.803 -18.855 1.00 -0.29 N HETATM 1682 C9 C A 8 -0.828 -9.923 -18.432 1.00 0.07 C HETATM 1683 C8 C A 8 -1.730 -10.108 -19.677 1.00 -0.02 C HETATM 1684 C7 C A 8 -2.004 -8.657 -20.077 1.00 -0.03 C HETATM 1685 C6 C A 8 -0.617 -7.995 -19.914 1.00 0.03 C HETATM 1686 H15 C A 8 -0.715 -6.944 -19.604 1.00 0.05 H HETATM 1687 H16 C A 8 -0.041 -8.049 -20.849 1.00 0.05 H HETATM 1688 H2 C A 8 -2.746 -8.194 -19.409 1.00 0.03 H HETATM 1689 H3 C A 8 -2.356 -8.591 -21.117 1.00 0.03 H HETATM 1690 H4 C A 8 -1.205 -10.652 -20.476 1.00 0.03 H HETATM 1691 H5 C A 8 -2.660 -10.637 -19.423 1.00 0.03 H HETATM 1692 C10 C A 8 -1.637 -9.665 -17.182 1.00 -0.02 C HETATM 1693 C11 C A 8 -2.365 -10.717 -16.622 1.00 -0.06 C HETATM 1694 C12 C A 8 -3.123 -10.518 -15.470 1.00 -0.07 C HETATM 1695 C13 C A 8 -3.144 -9.254 -14.870 1.00 -0.07 C HETATM 1696 C14 C A 8 -2.430 -8.202 -15.431 1.00 -0.07 C HETATM 1697 C15 C A 8 -1.669 -8.410 -16.578 1.00 -0.06 C HETATM 1698 H11 C A 8 -1.099 -7.592 -17.003 1.00 0.06 H HETATM 1699 H10 C A 8 -2.466 -7.219 -14.975 1.00 0.06 H HETATM 1700 H9 C A 8 -3.719 -9.095 -13.965 1.00 0.06 H HETATM 1701 H8 C A 8 -3.692 -11.336 -15.042 1.00 0.06 H HETATM 1702 H7 C A 8 -2.340 -11.696 -17.087 1.00 0.06 H HETATM 1703 H6 C A 8 -0.212 -10.818 -18.261 1.00 0.07 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 1667 1668 1671 1678 CONECT 1668 1667 1669 1675 CONECT 1669 1668 1670 1674 CONECT 1670 1669 1671 1673 CONECT 1671 1667 1670 1672 CONECT 1672 1671 CONECT 1673 1670 CONECT 1674 1669 CONECT 1675 1668 1676 1681 CONECT 1676 1675 1677 1680 CONECT 1677 1676 1678 1679 CONECT 1678 1667 1677 CONECT 1679 1677 CONECT 1680 1676 CONECT 1681 1675 1682 1685 CONECT 1682 1681 1683 1692 1703 CONECT 1683 1682 1684 1690 1691 CONECT 1684 1683 1685 1688 1689 CONECT 1685 1681 1684 1686 1687 CONECT 1686 1685 CONECT 1687 1685 CONECT 1688 1684 CONECT 1689 1684 CONECT 1690 1683 CONECT 1691 1683 CONECT 1692 1682 1693 1697 CONECT 1693 1692 1694 1702 CONECT 1694 1693 1695 1701 CONECT 1695 1694 1696 1700 CONECT 1696 1695 1697 1699 CONECT 1697 1692 1696 1698 CONECT 1698 1697 CONECT 1699 1696 CONECT 1700 1695 CONECT 1701 1694 CONECT 1702 1693 CONECT 1703 1682 MASTER 0 0 0 0 0 0 0 0 1702 1 41 13 END
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Structure:
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Related entries of code: 6f23
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Protein Sequence Similarity
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5fsm
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5fsn
RCSB PDB
PDBbind
156aa, >5FSN_1|Chain... at 100%
5fso
RCSB PDB
PDBbind
156aa, >5FSO_1|Chain... at 100%
5ngr
RCSB PDB
PDBbind
159aa, >5NGR_1|Chains... at 98%
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159aa, >5NGS_1|Chains... at 98%
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RCSB PDB
PDBbind
159aa, >5NGT_1|Chain... at 98%
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RCSB PDB
PDBbind
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RCSB PDB
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RCSB PDB
PDBbind
159aa, >6F20_1|Chains... at 98%
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RCSB PDB
PDBbind
159aa, >6F22_1|Chains... at 98%
6eq7
RCSB PDB
PDBbind
182aa, >6EQ7_1|Chain... at 100%
6eq6
RCSB PDB
PDBbind
182aa, >6EQ6_1|Chain... at 100%
6eq5
RCSB PDB
PDBbind
182aa, >6EQ5_1|Chain... at 100%
6eq4
RCSB PDB
PDBbind
182aa, >6EQ4_1|Chain... at 100%
6eq3
RCSB PDB
PDBbind
182aa, >6EQ3_1|Chain... at 100%
6eq2
RCSB PDB
PDBbind
182aa, >6EQ2_1|Chain... *
6aa5
RCSB PDB
PDBbind
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6aa4
RCSB PDB
PDBbind
163aa, >6AA4_1|Chain... at 94%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
6f1x
RCSB PDB
PDBbind
C8Z
Entry Information
PDB ID
6f23
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
MutT Homologue 1
Ligand Name
C8Z
EC.Number
E.C.-.-.-.-
Resolution
1.84(Å)
Affinity (Kd/Ki/IC50)
IC50=0.005uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) J. Med. Chem. Vol. 61: pp. 2533-2551
Ligand Properties
Formula
C
1
7
H
1
7
N
3
Molecular Weight
263.337
Exact Mass
263.142
No. of atoms
37
No. of bonds
40
Polar Surface Area
31.92
LOGP Value
3.45 (
Computed with XLOGP3
)
3.97 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 4
Canonical SMILES
c1ccc(cc1)[C@H]1CCCN1c1ccnc2c1cc[nH]2
InChI String
InChI=1S/C17H17N3/c1-2-5-13(6-3-1)15-7-4-12-20(15)16-9-11-19-17-14(16)8-10-18-17/h1-3,5-6,8-11,15H,4,7,12H2,(H,18,19)/t15-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P36639
Entrez Gene ID
NCBI Entrez Gene ID:
4521
ASD
Information of known allosteric effects of PDB entries
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