Browse entries in the PDBbind-CN Database
HEADER 5UMW_COMPLEX COMPND 5UMW_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 134 SER ALA ARG LEU SER HIS VAL THR VAL PRO VAL LEU ASP SEQRES 2 A 134 GLN ASP SER ALA LYS GLU PHE TYR THR GLU LYS LEU GLY SEQRES 3 A 134 PHE GLU VAL ARG ASN ASP MSE THR MSE GLY GLY LEU ARG SEQRES 4 A 134 TRP LEU THR VAL GLY PRO LYS ASP GLN PRO ASP VAL GLU SEQRES 5 A 134 MSE VAL LEU ARG ARG VAL GLY ALA PRO GLU TYR ASP GLU SEQRES 6 A 134 GLU THR ALA GLU GLN LEU ARG ASP LEU VAL ALA LYS GLY SEQRES 7 A 134 VAL ILE GLY VAL GLY VAL LEU HIS VAL ASP ASP THR ARG SEQRES 8 A 134 ALA THR TYR GLU ARG TYR ARG ALA ALA GLY VAL ILE PHE SEQRES 9 A 134 ILE GLN GLU PRO VAL LYS ARG PRO TYR GLY THR GLU ALA SEQRES 10 A 134 VAL PHE ARG ASP ASP SER GLY ASN TRP PHE SER LEU THR SEQRES 11 A 134 ASP ALA ARG GLY SEQRES 1 F 134 SER ALA ARG LEU SER HIS VAL THR VAL PRO VAL LEU ASP SEQRES 2 F 134 GLN ASP SER ALA LYS GLU PHE TYR THR GLU LYS LEU GLY SEQRES 3 F 134 PHE GLU VAL ARG ASN ASP MSE THR MSE GLY GLY LEU ARG SEQRES 4 F 134 TRP LEU THR VAL GLY PRO LYS ASP GLN PRO ASP VAL GLU SEQRES 5 F 134 MSE VAL LEU ARG ARG VAL GLY ALA PRO GLU TYR ASP GLU SEQRES 6 F 134 GLU THR ALA GLU GLN LEU ARG ASP LEU VAL ALA LYS GLY SEQRES 7 F 134 VAL ILE GLY VAL GLY VAL LEU HIS VAL ASP ASP THR ARG SEQRES 8 F 134 ALA THR TYR GLU ARG TYR ARG ALA ALA GLY VAL ILE PHE SEQRES 9 F 134 ILE GLN GLU PRO VAL LYS ARG PRO TYR GLY THR GLU ALA SEQRES 10 F 134 VAL PHE ARG ASP ASP SER GLY ASN TRP PHE SER LEU THR SEQRES 11 F 134 ASP ALA ARG GLY HET MSE A 34 9 HET MSE A 36 9 HET MSE A 54 9 HET MSE F 34 9 HET MSE F 36 9 HET MSE F 54 9 HET RBF A 360 47 ATOM 1 N SER A 2 42.226 21.046 115.113 1.00 53.73 N ATOM 2 CA SER A 2 42.765 20.127 116.182 1.00 54.52 C ATOM 3 C SER A 2 41.786 18.936 116.424 1.00 49.53 C ATOM 4 O SER A 2 41.328 18.314 115.437 1.00 40.54 O ATOM 5 CB SER A 2 43.164 20.881 117.485 1.00 57.33 C ATOM 6 OG SER A 2 44.132 20.134 118.263 1.00 62.34 O ATOM 7 HG SER A 2 44.949 19.992 117.722 1.00 0.00 H ATOM 8 HN3 SER A 2 41.304 21.422 115.413 1.00 0.00 H ATOM 9 HN2 SER A 2 42.113 20.515 114.226 1.00 0.00 H ATOM 10 HN1 SER A 2 42.891 21.832 114.966 1.00 0.00 H ATOM 11 N ALA A 3 41.446 18.603 117.678 1.00 38.61 N ATOM 12 CA ALA A 3 40.975 17.259 117.917 1.00 35.78 C ATOM 13 C ALA A 3 39.683 16.862 117.181 1.00 30.53 C ATOM 14 O ALA A 3 38.811 17.669 116.903 1.00 29.21 O ATOM 15 CB ALA A 3 40.921 16.975 119.403 1.00 38.52 C ATOM 16 H ALA A 3 41.519 19.291 118.454 1.00 0.00 H ATOM 17 N ARG A 4 39.617 15.621 116.750 1.00 29.97 N ATOM 18 CA ARG A 4 38.348 15.049 116.336 1.00 31.44 C ATOM 19 C ARG A 4 38.263 13.556 116.609 1.00 25.93 C ATOM 20 O ARG A 4 39.268 12.859 116.599 1.00 23.24 O ATOM 21 CB ARG A 4 38.024 15.350 114.876 1.00 36.39 C ATOM 22 CG ARG A 4 38.955 14.701 113.889 1.00 42.36 C ATOM 23 CD ARG A 4 38.764 15.166 112.441 1.00 47.61 C ATOM 24 NE ARG A 4 39.460 14.188 111.608 1.00 48.39 N ATOM 25 CZ ARG A 4 38.948 13.027 111.209 1.00 45.12 C ATOM 26 NH1 ARG A 4 37.670 12.679 111.497 1.00 44.94 N ATOM 27 NH2 ARG A 4 39.718 12.205 110.501 1.00 40.54 N ATOM 28 HE ARG A 4 40.428 14.417 111.304 1.00 0.00 H ATOM 29 HH12 ARG A 4 37.294 11.765 111.173 1.00 0.00 H ATOM 30 HH11 ARG A 4 37.065 13.326 112.042 1.00 0.00 H ATOM 31 HH22 ARG A 4 39.342 11.291 110.177 1.00 0.00 H ATOM 32 HH21 ARG A 4 40.695 12.476 110.272 1.00 0.00 H ATOM 33 H ARG A 4 40.481 15.044 116.705 1.00 0.00 H ATOM 34 N LEU A 5 37.042 13.085 116.817 1.00 24.60 N ATOM 35 CA LEU A 5 36.781 11.706 117.043 1.00 26.79 C ATOM 36 C LEU A 5 36.679 11.018 115.685 1.00 25.03 C ATOM 37 O LEU A 5 35.749 11.263 114.953 1.00 25.66 O ATOM 38 CB LEU A 5 35.511 11.550 117.856 1.00 30.47 C ATOM 39 CG LEU A 5 35.259 10.125 118.364 1.00 33.69 C ATOM 40 CD1 LEU A 5 36.188 9.746 119.500 1.00 31.03 C ATOM 41 CD2 LEU A 5 33.802 10.007 118.805 1.00 36.01 C ATOM 42 H LEU A 5 36.243 13.751 116.815 1.00 0.00 H ATOM 43 N SER A 6 37.684 10.218 115.353 1.00 20.84 N ATOM 44 CA SER A 6 37.731 9.518 114.088 1.00 22.10 C ATOM 45 C SER A 6 37.169 8.096 114.148 1.00 21.91 C ATOM 46 O SER A 6 36.657 7.619 113.155 1.00 24.27 O ATOM 47 CB SER A 6 39.174 9.476 113.589 1.00 20.54 C ATOM 48 OG SER A 6 40.000 8.800 114.523 1.00 21.28 O ATOM 49 HG SER A 6 39.672 7.873 114.642 1.00 0.00 H ATOM 50 H SER A 6 38.466 10.090 116.026 1.00 0.00 H ATOM 51 N HIS A 7 37.268 7.409 115.287 1.00 20.81 N ATOM 52 CA HIS A 7 36.794 6.004 115.403 1.00 20.23 C ATOM 53 C HIS A 7 35.902 5.883 116.628 1.00 19.17 C ATOM 54 O HIS A 7 36.151 6.526 117.678 1.00 17.37 O ATOM 55 CB HIS A 7 37.965 5.021 115.514 1.00 20.38 C ATOM 56 CG HIS A 7 38.940 5.082 114.376 1.00 23.21 C ATOM 57 ND1 HIS A 7 39.815 6.140 114.181 1.00 25.71 N ATOM 58 CD2 HIS A 7 39.192 4.209 113.363 1.00 26.05 C ATOM 59 CE1 HIS A 7 40.572 5.911 113.119 1.00 22.77 C ATOM 60 NE2 HIS A 7 40.189 4.767 112.582 1.00 25.02 N ATOM 61 H HIS A 7 37.689 7.870 116.119 1.00 0.00 H ATOM 62 N VAL A 8 34.847 5.117 116.473 1.00 18.01 N ATOM 63 CA VAL A 8 33.999 4.737 117.543 1.00 19.39 C ATOM 64 C VAL A 8 34.055 3.197 117.673 1.00 20.99 C ATOM 65 O VAL A 8 33.794 2.462 116.699 1.00 18.04 O ATOM 66 CB VAL A 8 32.527 5.111 117.264 1.00 20.50 C ATOM 67 CG1 VAL A 8 31.650 4.751 118.476 1.00 19.65 C ATOM 68 CG2 VAL A 8 32.398 6.601 116.974 1.00 23.83 C ATOM 69 H VAL A 8 34.623 4.772 115.518 1.00 0.00 H ATOM 70 N THR A 9 34.298 2.752 118.902 1.00 20.59 N ATOM 71 CA THR A 9 34.380 1.335 119.232 1.00 22.30 C ATOM 72 C THR A 9 33.026 0.732 119.400 1.00 21.42 C ATOM 73 O THR A 9 32.221 1.277 120.124 1.00 21.09 O ATOM 74 CB THR A 9 35.108 1.160 120.549 1.00 24.03 C ATOM 75 OG1 THR A 9 36.360 1.841 120.472 1.00 23.85 O ATOM 76 CG2 THR A 9 35.342 -0.313 120.822 1.00 27.83 C ATOM 77 HG1 THR A 9 36.846 1.734 121.328 1.00 0.00 H ATOM 78 H THR A 9 34.436 3.447 119.663 1.00 0.00 H ATOM 79 N VAL A 10 32.757 -0.353 118.660 1.00 21.83 N ATOM 80 CA VAL A 10 31.532 -1.097 118.770 1.00 21.93 C ATOM 81 C VAL A 10 31.909 -2.536 119.215 1.00 24.08 C ATOM 82 O VAL A 10 32.448 -3.324 118.408 1.00 22.92 O ATOM 83 CB VAL A 10 30.759 -1.140 117.446 1.00 24.26 C ATOM 84 CG1 VAL A 10 29.437 -1.921 117.633 1.00 25.12 C ATOM 85 CG2 VAL A 10 30.525 0.259 116.839 1.00 22.31 C ATOM 86 H VAL A 10 33.469 -0.672 117.973 1.00 0.00 H ATOM 87 N PRO A 11 31.613 -2.888 120.496 1.00 26.33 N ATOM 88 CA PRO A 11 31.861 -4.254 121.011 1.00 25.21 C ATOM 89 C PRO A 11 30.986 -5.295 120.343 1.00 24.35 C ATOM 90 O PRO A 11 29.791 -5.303 120.565 1.00 29.00 O ATOM 91 CB PRO A 11 31.523 -4.154 122.517 1.00 27.38 C ATOM 92 CG PRO A 11 31.387 -2.694 122.811 1.00 31.35 C ATOM 93 CD PRO A 11 31.016 -2.012 121.520 1.00 26.72 C ATOM 94 N VAL A 12 31.565 -6.154 119.525 1.00 24.78 N ATOM 95 CA VAL A 12 30.803 -7.203 118.834 1.00 27.90 C ATOM 96 C VAL A 12 31.097 -8.618 119.354 1.00 31.15 C ATOM 97 O VAL A 12 32.191 -8.886 119.856 1.00 29.89 O ATOM 98 CB VAL A 12 30.985 -7.183 117.300 1.00 26.35 C ATOM 99 CG1 VAL A 12 30.726 -5.797 116.743 1.00 27.05 C ATOM 100 CG2 VAL A 12 32.352 -7.709 116.880 1.00 27.13 C ATOM 101 H VAL A 12 32.590 -6.086 119.365 1.00 0.00 H ATOM 102 N LEU A 13 30.107 -9.509 119.202 1.00 37.54 N ATOM 103 CA LEU A 13 30.213 -10.902 119.673 1.00 40.33 C ATOM 104 C LEU A 13 30.996 -11.729 118.680 1.00 37.39 C ATOM 105 O LEU A 13 31.841 -12.535 119.054 1.00 36.28 O ATOM 106 CB LEU A 13 28.846 -11.523 119.930 1.00 37.55 C ATOM 107 CG LEU A 13 28.051 -10.853 121.040 1.00 40.14 C ATOM 108 CD1 LEU A 13 26.701 -11.511 121.133 1.00 41.14 C ATOM 109 CD2 LEU A 13 28.748 -10.909 122.383 1.00 40.37 C ATOM 110 H LEU A 13 29.230 -9.206 118.733 1.00 0.00 H ATOM 111 N ASP A 14 30.738 -11.475 117.416 1.00 39.44 N ATOM 112 CA ASP A 14 31.448 -12.116 116.343 1.00 37.67 C ATOM 113 C ASP A 14 31.554 -11.141 115.190 1.00 34.54 C ATOM 114 O ASP A 14 30.525 -10.619 114.708 1.00 34.15 O ATOM 115 CB ASP A 14 30.694 -13.371 115.866 1.00 44.22 C ATOM 116 CG ASP A 14 31.227 -13.889 114.522 1.00 49.39 C ATOM 117 OD1 ASP A 14 32.368 -14.416 114.488 1.00 60.63 O ATOM 118 OD2 ASP A 14 30.549 -13.681 113.491 1.00 46.98 O ATOM 119 H ASP A 14 29.994 -10.786 117.184 1.00 0.00 H ATOM 120 N GLN A 15 32.779 -11.007 114.690 1.00 33.09 N ATOM 121 CA GLN A 15 33.144 -9.993 113.735 1.00 34.01 C ATOM 122 C GLN A 15 32.561 -10.261 112.350 1.00 36.40 C ATOM 123 O GLN A 15 32.007 -9.331 111.716 1.00 38.50 O ATOM 124 CB GLN A 15 34.677 -9.837 113.671 1.00 31.80 C ATOM 125 CG GLN A 15 35.273 -9.190 114.896 1.00 31.98 C ATOM 126 CD GLN A 15 36.783 -9.033 114.822 1.00 29.71 C ATOM 127 OE1 GLN A 15 37.487 -10.008 114.751 1.00 30.32 O ATOM 128 NE2 GLN A 15 37.281 -7.792 114.871 1.00 30.02 N ATOM 129 HE22 GLN A 15 36.639 -6.976 114.932 1.00 0.00 H ATOM 130 HE21 GLN A 15 38.310 -7.643 114.848 1.00 0.00 H ATOM 131 H GLN A 15 33.514 -11.671 115.006 1.00 0.00 H ATOM 132 N ASP A 16 32.685 -11.502 111.859 1.00 38.44 N ATOM 133 CA ASP A 16 32.115 -11.868 110.540 1.00 41.28 C ATOM 134 C ASP A 16 30.601 -11.570 110.500 1.00 37.01 C ATOM 135 O ASP A 16 30.099 -10.964 109.565 1.00 41.44 O ATOM 136 CB ASP A 16 32.372 -13.349 110.187 1.00 47.73 C ATOM 137 CG ASP A 16 33.853 -13.661 109.976 1.00 51.36 C ATOM 138 OD1 ASP A 16 34.457 -13.177 108.967 1.00 52.03 O ATOM 139 OD2 ASP A 16 34.415 -14.372 110.849 1.00 57.57 O ATOM 140 H ASP A 16 33.191 -12.222 112.414 1.00 0.00 H ATOM 141 N SER A 17 29.898 -11.958 111.547 1.00 32.73 N ATOM 142 CA SER A 17 28.493 -11.657 111.673 1.00 33.24 C ATOM 143 C SER A 17 28.245 -10.140 111.713 1.00 34.75 C ATOM 144 O SER A 17 27.308 -9.659 111.081 1.00 33.80 O ATOM 145 CB SER A 17 27.957 -12.320 112.936 1.00 33.68 C ATOM 146 OG SER A 17 26.611 -12.030 113.126 1.00 34.87 O ATOM 147 HG SER A 17 26.494 -11.050 113.210 1.00 0.00 H ATOM 148 H SER A 17 30.370 -12.496 112.302 1.00 0.00 H ATOM 149 N ALA A 18 29.091 -9.380 112.423 1.00 33.82 N ATOM 150 CA ALA A 18 28.883 -7.926 112.509 1.00 29.93 C ATOM 151 C ALA A 18 29.117 -7.247 111.193 1.00 29.88 C ATOM 152 O ALA A 18 28.350 -6.339 110.827 1.00 28.41 O ATOM 153 CB ALA A 18 29.699 -7.298 113.603 1.00 28.11 C ATOM 154 H ALA A 18 29.896 -9.819 112.914 1.00 0.00 H ATOM 155 N LYS A 19 30.119 -7.717 110.457 1.00 30.20 N ATOM 156 CA LYS A 19 30.408 -7.178 109.134 1.00 33.61 C ATOM 157 C LYS A 19 29.268 -7.329 108.154 1.00 37.10 C ATOM 158 O LYS A 19 29.066 -6.447 107.330 1.00 38.03 O ATOM 159 CB LYS A 19 31.655 -7.826 108.529 1.00 34.74 C ATOM 160 CG LYS A 19 32.074 -7.200 107.202 1.00 34.19 C ATOM 161 CD LYS A 19 33.280 -7.914 106.631 1.00 37.66 C ATOM 162 CE LYS A 19 33.730 -7.224 105.359 1.00 40.39 C ATOM 163 NZ LYS A 19 35.042 -7.729 104.870 1.00 41.64 N ATOM 164 HZ1 LYS A 19 35.768 -7.566 105.597 1.00 0.00 H ATOM 165 HZ2 LYS A 19 34.969 -8.748 104.674 1.00 0.00 H ATOM 166 HZ3 LYS A 19 35.303 -7.225 103.999 1.00 0.00 H ATOM 167 H LYS A 19 30.710 -8.486 110.833 1.00 0.00 H ATOM 168 N GLU A 20 28.555 -8.458 108.219 1.00 41.47 N ATOM 169 CA GLU A 20 27.373 -8.672 107.369 1.00 42.98 C ATOM 170 C GLU A 20 26.238 -7.726 107.739 1.00 38.82 C ATOM 171 O GLU A 20 25.627 -7.112 106.860 1.00 34.38 O ATOM 172 CB GLU A 20 26.864 -10.126 107.392 1.00 49.67 C ATOM 173 CG GLU A 20 27.304 -10.932 106.175 1.00 61.73 C ATOM 174 CD GLU A 20 26.279 -11.983 105.765 1.00 74.72 C ATOM 175 OE1 GLU A 20 25.886 -12.785 106.653 1.00 81.99 O ATOM 176 OE2 GLU A 20 25.876 -12.003 104.565 1.00 74.58 O ATOM 177 H GLU A 20 28.842 -9.202 108.886 1.00 0.00 H ATOM 178 N PHE A 21 25.952 -7.620 109.030 1.00 32.24 N ATOM 179 CA PHE A 21 24.914 -6.730 109.455 1.00 31.60 C ATOM 180 C PHE A 21 25.153 -5.301 108.994 1.00 32.51 C ATOM 181 O PHE A 21 24.240 -4.686 108.432 1.00 37.01 O ATOM 182 CB PHE A 21 24.796 -6.721 110.944 1.00 31.49 C ATOM 183 CG PHE A 21 23.726 -5.810 111.435 1.00 33.88 C ATOM 184 CD1 PHE A 21 22.392 -6.188 111.336 1.00 31.53 C ATOM 185 CD2 PHE A 21 24.045 -4.545 111.976 1.00 33.82 C ATOM 186 CE1 PHE A 21 21.394 -5.350 111.785 1.00 32.62 C ATOM 187 CE2 PHE A 21 23.039 -3.701 112.419 1.00 33.62 C ATOM 188 CZ PHE A 21 21.709 -4.113 112.337 1.00 33.34 C ATOM 189 H PHE A 21 26.479 -8.180 109.730 1.00 0.00 H ATOM 190 N TYR A 22 26.356 -4.771 109.230 1.00 28.94 N ATOM 191 CA TYR A 22 26.600 -3.347 109.035 1.00 27.70 C ATOM 192 C TYR A 22 26.671 -3.042 107.570 1.00 29.60 C ATOM 193 O TYR A 22 26.199 -1.977 107.180 1.00 31.92 O ATOM 194 CB TYR A 22 27.861 -2.811 109.772 1.00 25.94 C ATOM 195 CG TYR A 22 27.616 -2.562 111.221 1.00 24.67 C ATOM 196 CD1 TYR A 22 27.015 -1.403 111.639 1.00 26.96 C ATOM 197 CD2 TYR A 22 27.919 -3.508 112.165 1.00 23.07 C ATOM 198 CE1 TYR A 22 26.762 -1.180 112.985 1.00 28.32 C ATOM 199 CE2 TYR A 22 27.637 -3.342 113.498 1.00 22.57 C ATOM 200 CZ TYR A 22 27.070 -2.174 113.927 1.00 26.41 C ATOM 201 OH TYR A 22 26.825 -1.946 115.276 1.00 23.47 O ATOM 202 HH TYR A 22 26.209 -2.640 115.620 1.00 0.00 H ATOM 203 H TYR A 22 27.130 -5.383 109.558 1.00 0.00 H ATOM 204 N THR A 23 27.249 -3.937 106.764 1.00 31.23 N ATOM 205 CA THR A 23 27.310 -3.725 105.307 1.00 37.22 C ATOM 206 C THR A 23 26.037 -4.135 104.561 1.00 43.40 C ATOM 207 O THR A 23 25.595 -3.391 103.690 1.00 49.70 O ATOM 208 CB THR A 23 28.501 -4.422 104.627 1.00 35.93 C ATOM 209 OG1 THR A 23 28.478 -5.799 104.949 1.00 34.43 O ATOM 210 CG2 THR A 23 29.797 -3.832 105.094 1.00 37.39 C ATOM 211 HG1 THR A 23 28.544 -5.908 105.931 1.00 0.00 H ATOM 212 H THR A 23 27.663 -4.799 107.172 1.00 0.00 H ATOM 213 N GLU A 24 25.449 -5.287 104.889 1.00 47.36 N ATOM 214 CA GLU A 24 24.273 -5.794 104.139 1.00 48.72 C ATOM 215 C GLU A 24 22.975 -5.124 104.542 1.00 43.56 C ATOM 216 O GLU A 24 22.208 -4.713 103.675 1.00 49.20 O ATOM 217 CB GLU A 24 24.110 -7.329 104.232 1.00 51.87 C ATOM 218 CG GLU A 24 25.340 -8.182 103.867 1.00 62.44 C ATOM 219 CD GLU A 24 25.762 -8.165 102.384 1.00 70.66 C ATOM 220 OE1 GLU A 24 25.733 -7.081 101.755 1.00 77.38 O ATOM 221 OE2 GLU A 24 26.174 -9.239 101.852 1.00 74.02 O ATOM 222 H GLU A 24 25.822 -5.841 105.686 1.00 0.00 H ATOM 223 N LYS A 25 22.717 -5.017 105.842 1.00 41.10 N ATOM 224 CA LYS A 25 21.495 -4.404 106.306 1.00 41.24 C ATOM 225 C LYS A 25 21.557 -2.894 106.296 1.00 40.95 C ATOM 226 O LYS A 25 20.754 -2.244 105.607 1.00 44.05 O ATOM 227 CB LYS A 25 21.074 -4.980 107.644 1.00 45.72 C ATOM 228 CG LYS A 25 20.421 -6.343 107.435 1.00 50.49 C ATOM 229 CD LYS A 25 20.671 -7.326 108.546 1.00 55.65 C ATOM 230 CE LYS A 25 20.174 -8.721 108.162 1.00 62.02 C ATOM 231 NZ LYS A 25 19.543 -9.400 109.345 1.00 66.52 N ATOM 232 HZ1 LYS A 25 20.245 -9.489 110.107 1.00 0.00 H ATOM 233 HZ2 LYS A 25 18.737 -8.834 109.679 1.00 0.00 H ATOM 234 HZ3 LYS A 25 19.212 -10.345 109.065 1.00 0.00 H ATOM 235 H LYS A 25 23.404 -5.379 106.533 1.00 0.00 H ATOM 236 N LEU A 26 22.526 -2.317 106.993 1.00 38.63 N ATOM 237 CA LEU A 26 22.616 -0.875 107.028 1.00 36.80 C ATOM 238 C LEU A 26 23.218 -0.246 105.787 1.00 37.62 C ATOM 239 O LEU A 26 23.130 0.955 105.654 1.00 48.95 O ATOM 240 CB LEU A 26 23.385 -0.412 108.264 1.00 37.75 C ATOM 241 CG LEU A 26 22.864 -0.890 109.609 1.00 35.91 C ATOM 242 CD1 LEU A 26 23.639 -0.222 110.724 1.00 36.12 C ATOM 243 CD2 LEU A 26 21.367 -0.639 109.756 1.00 36.51 C ATOM 244 H LEU A 26 23.216 -2.898 107.511 1.00 0.00 H ATOM 245 N GLY A 27 23.822 -1.012 104.875 1.00 37.25 N ATOM 246 CA GLY A 27 24.497 -0.411 103.724 1.00 37.31 C ATOM 247 C GLY A 27 25.782 0.385 104.042 1.00 39.34 C ATOM 248 O GLY A 27 26.182 1.242 103.261 1.00 41.15 O ATOM 249 H GLY A 27 23.813 -2.046 104.984 1.00 0.00 H ATOM 250 N PHE A 28 26.446 0.128 105.172 1.00 37.39 N ATOM 251 CA PHE A 28 27.725 0.826 105.456 1.00 34.51 C ATOM 252 C PHE A 28 28.765 0.251 104.533 1.00 33.81 C ATOM 253 O PHE A 28 28.600 -0.851 104.069 1.00 33.46 O ATOM 254 CB PHE A 28 28.146 0.633 106.910 1.00 31.83 C ATOM 255 CG PHE A 28 27.336 1.438 107.905 1.00 31.68 C ATOM 256 CD1 PHE A 28 26.143 2.084 107.566 1.00 32.73 C ATOM 257 CD2 PHE A 28 27.761 1.539 109.199 1.00 33.53 C ATOM 258 CE1 PHE A 28 25.412 2.800 108.509 1.00 32.38 C ATOM 259 CE2 PHE A 28 27.044 2.270 110.142 1.00 34.54 C ATOM 260 CZ PHE A 28 25.859 2.892 109.797 1.00 33.97 C ATOM 261 H PHE A 28 26.067 -0.561 105.853 1.00 0.00 H ATOM 262 N GLU A 29 29.822 1.000 104.271 1.00 34.71 N ATOM 263 CA GLU A 29 30.957 0.503 103.510 1.00 34.79 C ATOM 264 C GLU A 29 32.119 0.042 104.453 1.00 34.17 C ATOM 265 O GLU A 29 32.328 0.572 105.550 1.00 28.97 O ATOM 266 CB GLU A 29 31.409 1.558 102.504 1.00 37.64 C ATOM 267 CG GLU A 29 32.083 2.792 103.088 1.00 48.16 C ATOM 268 CD GLU A 29 32.347 3.940 102.087 1.00 55.69 C ATOM 269 OE1 GLU A 29 31.733 3.976 100.984 1.00 61.81 O ATOM 270 OE2 GLU A 29 33.179 4.834 102.433 1.00 56.79 O ATOM 271 H GLU A 29 29.843 1.979 104.621 1.00 0.00 H ATOM 272 N VAL A 30 32.869 -0.945 103.993 1.00 33.12 N ATOM 273 CA VAL A 30 33.993 -1.501 104.728 1.00 33.20 C ATOM 274 C VAL A 30 35.154 -0.549 104.496 1.00 31.30 C ATOM 275 O VAL A 30 35.593 -0.388 103.406 1.00 36.85 O ATOM 276 CB VAL A 30 34.336 -2.924 104.226 1.00 33.30 C ATOM 277 CG1 VAL A 30 35.534 -3.524 104.965 1.00 34.31 C ATOM 278 CG2 VAL A 30 33.148 -3.843 104.411 1.00 33.19 C ATOM 279 H VAL A 30 32.644 -1.343 103.059 1.00 0.00 H ATOM 280 N ARG A 31 35.640 0.098 105.513 1.00 31.01 N ATOM 281 CA ARG A 31 36.736 1.036 105.341 1.00 34.41 C ATOM 282 C ARG A 31 38.134 0.335 105.577 1.00 33.81 C ATOM 283 O ARG A 31 39.164 0.797 105.106 1.00 32.90 O ATOM 284 CB ARG A 31 36.473 2.230 106.283 1.00 36.49 C ATOM 285 CG ARG A 31 36.507 3.589 105.601 1.00 45.03 C ATOM 286 CD ARG A 31 35.143 4.114 105.173 1.00 44.79 C ATOM 287 NE ARG A 31 34.533 4.904 106.228 1.00 49.65 N ATOM 288 CZ ARG A 31 33.418 5.600 106.093 1.00 53.03 C ATOM 289 NH1 ARG A 31 32.759 5.632 104.949 1.00 61.59 N ATOM 290 NH2 ARG A 31 32.937 6.248 107.119 1.00 58.96 N ATOM 291 HE ARG A 31 35.007 4.923 107.154 1.00 0.00 H ATOM 292 HH12 ARG A 31 31.884 6.188 104.869 1.00 0.00 H ATOM 293 HH11 ARG A 31 33.115 5.102 104.129 1.00 0.00 H ATOM 294 HH22 ARG A 31 32.060 6.798 107.022 1.00 0.00 H ATOM 295 HH21 ARG A 31 33.431 6.214 108.034 1.00 0.00 H ATOM 296 H ARG A 31 35.240 -0.057 106.460 1.00 0.00 H ATOM 297 N ASN A 32 38.143 -0.766 106.329 1.00 33.86 N ATOM 298 CA ASN A 32 39.350 -1.546 106.666 1.00 33.78 C ATOM 299 C ASN A 32 38.963 -2.947 107.036 1.00 31.39 C ATOM 300 O ASN A 32 37.989 -3.150 107.755 1.00 29.74 O ATOM 301 CB ASN A 32 40.093 -0.970 107.857 1.00 38.04 C ATOM 302 CG ASN A 32 41.289 -0.170 107.445 1.00 45.56 C ATOM 303 OD1 ASN A 32 42.251 -0.732 106.914 1.00 54.83 O ATOM 304 ND2 ASN A 32 41.237 1.142 107.652 1.00 46.70 N ATOM 305 HD22 ASN A 32 40.401 1.564 108.104 1.00 0.00 H ATOM 306 HD21 ASN A 32 42.032 1.746 107.362 1.00 0.00 H ATOM 307 H ASN A 32 37.233 -1.100 106.706 1.00 0.00 H ATOM 308 N ASP A 33 39.708 -3.918 106.531 1.00 29.46 N ATOM 309 CA ASP A 33 39.633 -5.285 107.046 1.00 30.92 C ATOM 310 C ASP A 33 40.958 -5.974 106.837 1.00 32.71 C ATOM 311 O ASP A 33 41.297 -6.342 105.720 1.00 30.52 O ATOM 312 CB ASP A 33 38.516 -6.132 106.400 1.00 28.68 C ATOM 313 CG ASP A 33 38.308 -7.481 107.126 1.00 30.26 C ATOM 314 OD1 ASP A 33 39.060 -7.872 108.069 1.00 33.31 O ATOM 315 OD2 ASP A 33 37.330 -8.161 106.803 1.00 31.85 O ATOM 316 H ASP A 33 40.361 -3.704 105.751 1.00 0.00 H HETATM 317 N MSE A 34 41.684 -6.153 107.933 1.00 38.70 N HETATM 318 CA MSE A 34 42.926 -6.866 107.929 1.00 45.01 C HETATM 319 C MSE A 34 43.288 -7.378 109.280 1.00 42.11 C HETATM 320 O MSE A 34 42.725 -6.947 110.295 1.00 34.90 O HETATM 321 CB MSE A 34 44.091 -6.029 107.391 1.00 54.97 C HETATM 322 CG MSE A 34 43.855 -4.572 106.999 1.00 71.54 C HETATM 323 SE MSE A 34 45.320 -3.505 107.775 1.00 93.05 S HETATM 324 CE MSE A 34 44.471 -3.989 109.517 1.00 91.55 C HETATM 325 H MSE A 34 41.337 -5.760 108.831 1.00 0.00 H ATOM 326 N THR A 35 44.269 -8.283 109.263 1.00 38.80 N ATOM 327 CA THR A 35 44.882 -8.862 110.430 1.00 45.94 C ATOM 328 C THR A 35 46.353 -8.477 110.545 1.00 49.73 C ATOM 329 O THR A 35 47.038 -8.303 109.551 1.00 51.26 O ATOM 330 CB THR A 35 44.757 -10.377 110.338 1.00 47.81 C ATOM 331 OG1 THR A 35 43.362 -10.708 110.331 1.00 45.19 O ATOM 332 CG2 THR A 35 45.435 -11.039 111.524 1.00 54.92 C ATOM 333 HG1 THR A 35 43.257 -11.691 110.272 1.00 0.00 H ATOM 334 H THR A 35 44.618 -8.594 108.334 1.00 0.00 H HETATM 335 N MSE A 36 46.814 -8.422 111.771 1.00 62.25 N HETATM 336 CA MSE A 36 48.205 -8.532 112.108 1.00 71.86 C HETATM 337 C MSE A 36 48.179 -9.035 113.519 1.00 73.40 C HETATM 338 O MSE A 36 47.202 -8.778 114.223 1.00 70.37 O HETATM 339 CB MSE A 36 48.969 -7.235 111.878 1.00 20.00 C HETATM 340 CG MSE A 36 49.858 -7.272 110.626 1.00 20.00 C HETATM 341 SE MSE A 36 50.794 -8.979 110.265 1.00 20.00 S HETATM 342 CE MSE A 36 52.709 -8.535 110.274 1.00 20.00 C HETATM 343 H MSE A 36 46.132 -8.291 112.545 1.00 0.00 H ATOM 344 N GLY A 37 49.215 -9.736 113.952 1.00 71.26 N ATOM 345 CA GLY A 37 49.126 -10.623 115.108 1.00 65.63 C ATOM 346 C GLY A 37 48.097 -11.658 114.710 1.00 69.47 C ATOM 347 O GLY A 37 47.966 -11.980 113.517 1.00 80.13 O ATOM 348 H GLY A 37 50.123 -9.652 113.452 1.00 0.00 H ATOM 349 N GLY A 38 47.359 -12.175 115.687 1.00 66.61 N ATOM 350 CA GLY A 38 46.095 -12.890 115.418 1.00 64.48 C ATOM 351 C GLY A 38 44.850 -12.000 115.556 1.00 63.75 C ATOM 352 O GLY A 38 43.741 -12.519 115.654 1.00 65.48 O ATOM 353 H GLY A 38 47.681 -12.073 116.671 1.00 0.00 H ATOM 354 N LEU A 39 45.025 -10.670 115.535 1.00 58.26 N ATOM 355 CA LEU A 39 43.969 -9.694 115.850 1.00 52.33 C ATOM 356 C LEU A 39 43.391 -8.963 114.605 1.00 43.77 C ATOM 357 O LEU A 39 44.119 -8.345 113.821 1.00 40.87 O ATOM 358 CB LEU A 39 44.577 -8.667 116.791 1.00 58.87 C ATOM 359 CG LEU A 39 43.635 -7.729 117.524 1.00 64.09 C ATOM 360 CD1 LEU A 39 42.792 -8.502 118.545 1.00 65.94 C ATOM 361 CD2 LEU A 39 44.478 -6.642 118.186 1.00 65.75 C ATOM 362 H LEU A 39 45.965 -10.306 115.280 1.00 0.00 H ATOM 363 N ARG A 40 42.080 -9.025 114.434 1.00 33.05 N ATOM 364 CA ARG A 40 41.426 -8.412 113.281 1.00 30.24 C ATOM 365 C ARG A 40 40.956 -6.909 113.493 1.00 28.86 C ATOM 366 O ARG A 40 40.087 -6.607 114.328 1.00 30.33 O ATOM 367 CB ARG A 40 40.247 -9.283 112.883 1.00 29.39 C ATOM 368 CG ARG A 40 39.660 -8.944 111.522 1.00 29.48 C ATOM 369 CD ARG A 40 38.449 -9.823 111.295 1.00 30.55 C ATOM 370 NE ARG A 40 37.822 -9.585 110.003 1.00 31.44 N ATOM 371 CZ ARG A 40 36.681 -10.154 109.611 1.00 31.19 C ATOM 372 NH1 ARG A 40 36.023 -10.978 110.432 1.00 32.52 N ATOM 373 NH2 ARG A 40 36.195 -9.893 108.395 1.00 29.25 N ATOM 374 HE ARG A 40 38.293 -8.931 109.345 1.00 0.00 H ATOM 375 HH12 ARG A 40 35.134 -11.420 110.123 1.00 0.00 H ATOM 376 HH11 ARG A 40 36.400 -11.178 111.380 1.00 0.00 H ATOM 377 HH22 ARG A 40 35.306 -10.334 108.085 1.00 0.00 H ATOM 378 HH21 ARG A 40 36.706 -9.249 107.758 1.00 0.00 H ATOM 379 H ARG A 40 41.500 -9.523 115.139 1.00 0.00 H ATOM 380 N TRP A 41 41.557 -6.009 112.740 1.00 24.44 N ATOM 381 CA TRP A 41 41.162 -4.629 112.668 1.00 24.47 C ATOM 382 C TRP A 41 40.121 -4.502 111.548 1.00 24.68 C ATOM 383 O TRP A 41 40.454 -4.564 110.377 1.00 20.85 O ATOM 384 CB TRP A 41 42.391 -3.749 112.390 1.00 25.34 C ATOM 385 CG TRP A 41 42.135 -2.228 112.280 1.00 27.12 C ATOM 386 CD1 TRP A 41 42.214 -1.449 111.164 1.00 30.98 C ATOM 387 CD2 TRP A 41 41.795 -1.358 113.349 1.00 25.15 C ATOM 388 NE1 TRP A 41 41.914 -0.131 111.486 1.00 32.84 N ATOM 389 CE2 TRP A 41 41.678 -0.069 112.831 1.00 27.85 C ATOM 390 CE3 TRP A 41 41.587 -1.554 114.694 1.00 26.61 C ATOM 391 CZ2 TRP A 41 41.356 1.002 113.606 1.00 27.97 C ATOM 392 CZ3 TRP A 41 41.265 -0.488 115.469 1.00 29.08 C ATOM 393 CH2 TRP A 41 41.149 0.781 114.926 1.00 27.65 C ATOM 394 HE1 TRP A 41 41.876 0.668 110.821 1.00 0.00 H ATOM 395 H TRP A 41 42.366 -6.316 112.163 1.00 0.00 H ATOM 396 N LEU A 42 38.858 -4.321 111.937 1.00 26.04 N ATOM 397 CA LEU A 42 37.731 -4.273 111.032 1.00 26.06 C ATOM 398 C LEU A 42 36.910 -2.990 111.287 1.00 25.31 C ATOM 399 O LEU A 42 36.387 -2.788 112.394 1.00 20.92 O ATOM 400 CB LEU A 42 36.864 -5.485 111.292 1.00 28.11 C ATOM 401 CG LEU A 42 35.491 -5.519 110.610 1.00 29.76 C ATOM 402 CD1 LEU A 42 35.692 -5.543 109.106 1.00 30.73 C ATOM 403 CD2 LEU A 42 34.722 -6.731 111.068 1.00 29.60 C ATOM 404 H LEU A 42 38.672 -4.207 112.954 1.00 0.00 H ATOM 405 N THR A 43 36.821 -2.130 110.274 1.00 24.74 N ATOM 406 CA THR A 43 36.072 -0.891 110.388 1.00 25.10 C ATOM 407 C THR A 43 35.168 -0.681 109.208 1.00 26.56 C ATOM 408 O THR A 43 35.483 -1.096 108.058 1.00 26.27 O ATOM 409 CB THR A 43 36.949 0.359 110.571 1.00 25.69 C ATOM 410 OG1 THR A 43 37.452 0.796 109.308 1.00 28.76 O ATOM 411 CG2 THR A 43 38.099 0.111 111.490 1.00 26.89 C ATOM 412 HG1 THR A 43 38.014 1.600 109.438 1.00 0.00 H ATOM 413 H THR A 43 37.300 -2.351 109.378 1.00 0.00 H ATOM 414 N VAL A 44 34.048 -0.025 109.531 1.00 26.52 N ATOM 415 CA VAL A 44 32.924 0.229 108.650 1.00 25.84 C ATOM 416 C VAL A 44 32.420 1.640 108.899 1.00 28.51 C ATOM 417 O VAL A 44 32.677 2.234 109.957 1.00 25.33 O ATOM 418 CB VAL A 44 31.755 -0.764 108.850 1.00 25.02 C ATOM 419 CG1 VAL A 44 32.265 -2.156 108.580 1.00 27.75 C ATOM 420 CG2 VAL A 44 31.126 -0.704 110.257 1.00 26.01 C ATOM 421 H VAL A 44 33.976 0.336 110.504 1.00 0.00 H ATOM 422 N GLY A 45 31.704 2.165 107.917 1.00 29.48 N ATOM 423 CA GLY A 45 31.101 3.465 108.034 1.00 33.05 C ATOM 424 C GLY A 45 30.016 3.793 107.012 1.00 31.53 C ATOM 425 O GLY A 45 29.978 3.212 105.913 1.00 29.13 O ATOM 426 H GLY A 45 31.574 1.623 107.039 1.00 0.00 H ATOM 427 N PRO A 46 29.162 4.767 107.354 1.00 29.28 N ATOM 428 CA PRO A 46 28.196 5.338 106.387 1.00 32.38 C ATOM 429 C PRO A 46 28.871 5.886 105.139 1.00 29.98 C ATOM 430 O PRO A 46 29.945 6.501 105.270 1.00 29.05 O ATOM 431 CB PRO A 46 27.553 6.492 107.171 1.00 28.61 C ATOM 432 CG PRO A 46 27.811 6.164 108.597 1.00 30.13 C ATOM 433 CD PRO A 46 29.154 5.512 108.619 1.00 29.88 C ATOM 434 N LYS A 47 28.246 5.655 103.978 1.00 37.16 N ATOM 435 CA LYS A 47 28.750 6.078 102.619 1.00 43.25 C ATOM 436 C LYS A 47 29.143 7.537 102.568 1.00 39.49 C ATOM 437 O LYS A 47 30.210 7.918 102.093 1.00 41.07 O ATOM 438 CB LYS A 47 27.664 5.939 101.544 1.00 54.48 C ATOM 439 CG LYS A 47 27.303 4.547 101.065 1.00 64.31 C ATOM 440 CD LYS A 47 26.157 4.618 100.035 1.00 71.78 C ATOM 441 CE LYS A 47 25.185 3.439 100.142 1.00 72.13 C ATOM 442 NZ LYS A 47 25.904 2.127 100.140 1.00 74.57 N ATOM 443 HZ1 LYS A 47 26.442 2.029 99.255 1.00 0.00 H ATOM 444 HZ2 LYS A 47 26.556 2.089 100.949 1.00 0.00 H ATOM 445 HZ3 LYS A 47 25.212 1.354 100.214 1.00 0.00 H ATOM 446 H LYS A 47 27.341 5.143 104.015 1.00 0.00 H ATOM 447 N ASP A 48 28.262 8.357 103.079 1.00 38.24 N ATOM 448 CA ASP A 48 28.417 9.790 103.001 1.00 42.12 C ATOM 449 C ASP A 48 29.263 10.347 104.144 1.00 40.47 C ATOM 450 O ASP A 48 29.229 11.540 104.395 1.00 38.59 O ATOM 451 CB ASP A 48 27.001 10.441 103.016 1.00 51.82 C ATOM 452 CG ASP A 48 26.060 9.867 101.909 1.00 59.15 C ATOM 453 OD1 ASP A 48 26.553 9.448 100.827 1.00 57.02 O ATOM 454 OD2 ASP A 48 24.826 9.840 102.134 1.00 72.28 O ATOM 455 H ASP A 48 27.425 7.965 103.556 1.00 0.00 H ATOM 456 N GLN A 49 30.028 9.520 104.856 1.00 37.23 N ATOM 457 CA GLN A 49 30.717 10.018 106.033 1.00 34.04 C ATOM 458 C GLN A 49 32.099 9.409 106.079 1.00 32.51 C ATOM 459 O GLN A 49 32.399 8.629 106.930 1.00 28.02 O ATOM 460 CB GLN A 49 29.891 9.704 107.272 1.00 31.02 C ATOM 461 CG GLN A 49 30.236 10.549 108.470 1.00 30.56 C ATOM 462 CD GLN A 49 29.308 10.287 109.660 1.00 30.60 C ATOM 463 OE1 GLN A 49 28.611 9.259 109.727 1.00 25.31 O ATOM 464 NE2 GLN A 49 29.329 11.204 110.621 1.00 28.95 N ATOM 465 HE22 GLN A 49 29.928 12.048 110.521 1.00 0.00 H ATOM 466 HE21 GLN A 49 28.747 11.078 111.473 1.00 0.00 H ATOM 467 H GLN A 49 30.131 8.525 104.571 1.00 0.00 H ATOM 468 N PRO A 50 32.949 9.787 105.131 1.00 37.72 N ATOM 469 CA PRO A 50 34.262 9.179 105.074 1.00 37.11 C ATOM 470 C PRO A 50 35.163 9.486 106.279 1.00 32.28 C ATOM 471 O PRO A 50 36.089 8.759 106.450 1.00 33.06 O ATOM 472 CB PRO A 50 34.842 9.775 103.777 1.00 38.21 C ATOM 473 CG PRO A 50 34.234 11.146 103.754 1.00 38.41 C ATOM 474 CD PRO A 50 32.827 10.903 104.166 1.00 38.27 C ATOM 475 N ASP A 51 34.904 10.536 107.076 1.00 35.01 N ATOM 476 CA ASP A 51 35.745 10.916 108.261 1.00 38.96 C ATOM 477 C ASP A 51 35.518 10.121 109.611 1.00 33.27 C ATOM 478 O ASP A 51 36.210 10.388 110.568 1.00 30.77 O ATOM 479 CB ASP A 51 35.576 12.445 108.599 1.00 44.80 C ATOM 480 CG ASP A 51 36.504 13.378 107.784 1.00 58.42 C ATOM 481 OD1 ASP A 51 37.024 12.992 106.691 1.00 68.71 O ATOM 482 OD2 ASP A 51 36.707 14.537 108.260 1.00 65.55 O ATOM 483 H ASP A 51 34.072 11.121 106.860 1.00 0.00 H ATOM 484 N VAL A 52 34.520 9.246 109.721 1.00 30.42 N ATOM 485 CA VAL A 52 34.321 8.465 110.960 1.00 30.07 C ATOM 486 C VAL A 52 34.178 7.032 110.590 1.00 27.04 C ATOM 487 O VAL A 52 33.455 6.727 109.673 1.00 28.07 O ATOM 488 CB VAL A 52 33.104 8.929 111.774 1.00 33.41 C ATOM 489 CG1 VAL A 52 33.108 10.453 111.837 1.00 35.12 C ATOM 490 CG2 VAL A 52 31.777 8.427 111.198 1.00 34.07 C ATOM 491 H VAL A 52 33.869 9.110 108.921 1.00 0.00 H ATOM 492 N GLU A 53 34.909 6.176 111.284 1.00 25.75 N ATOM 493 CA GLU A 53 34.870 4.729 111.111 1.00 27.39 C ATOM 494 C GLU A 53 34.266 4.137 112.384 1.00 24.51 C ATOM 495 O GLU A 53 34.452 4.679 113.468 1.00 20.77 O ATOM 496 CB GLU A 53 36.284 4.161 110.935 1.00 30.80 C ATOM 497 CG GLU A 53 37.076 4.778 109.786 1.00 38.72 C ATOM 498 CD GLU A 53 38.501 4.225 109.593 1.00 43.45 C ATOM 499 OE1 GLU A 53 38.718 2.989 109.603 1.00 42.80 O ATOM 500 OE2 GLU A 53 39.425 5.064 109.403 1.00 51.93 O ATOM 501 H GLU A 53 35.556 6.561 112.002 1.00 0.00 H HETATM 502 N MSE A 54 33.576 3.019 112.255 1.00 24.05 N HETATM 503 CA MSE A 54 33.175 2.236 113.409 1.00 26.31 C HETATM 504 C MSE A 54 34.011 1.012 113.470 1.00 21.72 C HETATM 505 O MSE A 54 33.963 0.228 112.564 1.00 20.72 O HETATM 506 CB MSE A 54 31.738 1.839 113.292 1.00 33.90 C HETATM 507 CG MSE A 54 30.911 2.791 114.110 1.00 50.57 C HETATM 508 SE MSE A 54 29.104 2.795 113.348 1.00 83.41 S HETATM 509 CE MSE A 54 29.719 4.308 112.219 1.00 67.64 C HETATM 510 H MSE A 54 33.314 2.692 111.303 1.00 0.00 H ATOM 511 N VAL A 55 34.745 0.828 114.564 1.00 20.70 N ATOM 512 CA VAL A 55 35.650 -0.296 114.767 1.00 19.26 C ATOM 513 C VAL A 55 34.843 -1.448 115.349 1.00 19.66 C ATOM 514 O VAL A 55 34.324 -1.344 116.433 1.00 18.92 O ATOM 515 CB VAL A 55 36.781 0.089 115.756 1.00 20.80 C ATOM 516 CG1 VAL A 55 37.687 -1.096 116.045 1.00 20.85 C ATOM 517 CG2 VAL A 55 37.606 1.250 115.217 1.00 20.72 C ATOM 518 H VAL A 55 34.668 1.533 115.325 1.00 0.00 H ATOM 519 N LEU A 56 34.706 -2.533 114.608 1.00 20.14 N ATOM 520 CA LEU A 56 34.008 -3.679 115.104 1.00 21.97 C ATOM 521 C LEU A 56 35.000 -4.530 115.876 1.00 22.18 C ATOM 522 O LEU A 56 35.708 -5.309 115.296 1.00 21.69 O ATOM 523 CB LEU A 56 33.362 -4.457 113.966 1.00 20.85 C ATOM 524 CG LEU A 56 32.489 -3.617 113.062 1.00 23.14 C ATOM 525 CD1 LEU A 56 31.818 -4.505 112.016 1.00 24.86 C ATOM 526 CD2 LEU A 56 31.382 -2.885 113.819 1.00 25.39 C ATOM 527 H LEU A 56 35.111 -2.554 113.650 1.00 0.00 H ATOM 528 N ARG A 57 35.027 -4.360 117.185 1.00 23.58 N ATOM 529 CA ARG A 57 36.025 -4.993 118.031 1.00 27.74 C ATOM 530 C ARG A 57 35.476 -6.239 118.700 1.00 27.75 C ATOM 531 O ARG A 57 34.464 -6.151 119.446 1.00 22.54 O ATOM 532 CB ARG A 57 36.450 -4.036 119.130 1.00 31.67 C ATOM 533 CG ARG A 57 37.515 -4.589 120.053 1.00 36.53 C ATOM 534 CD ARG A 57 38.014 -3.511 120.965 1.00 44.27 C ATOM 535 NE ARG A 57 38.739 -2.498 120.188 1.00 58.57 N ATOM 536 CZ ARG A 57 40.051 -2.249 120.241 1.00 65.00 C ATOM 537 NH1 ARG A 57 40.867 -2.905 121.081 1.00 67.44 N ATOM 538 NH2 ARG A 57 40.545 -1.292 119.451 1.00 65.98 N ATOM 539 HE ARG A 57 38.177 -1.918 119.533 1.00 0.00 H ATOM 540 HH12 ARG A 57 41.884 -2.686 121.096 1.00 0.00 H ATOM 541 HH11 ARG A 57 40.483 -3.633 121.717 1.00 0.00 H ATOM 542 HH22 ARG A 57 41.562 -1.076 119.470 1.00 0.00 H ATOM 543 HH21 ARG A 57 39.913 -0.763 118.817 1.00 0.00 H ATOM 544 H ARG A 57 34.308 -3.751 117.627 1.00 0.00 H ATOM 545 N ARG A 58 36.147 -7.365 118.468 1.00 28.43 N ATOM 546 CA ARG A 58 35.819 -8.632 119.158 1.00 33.50 C ATOM 547 C ARG A 58 36.041 -8.489 120.668 1.00 30.51 C ATOM 548 O ARG A 58 37.106 -8.070 121.115 1.00 32.92 O ATOM 549 CB ARG A 58 36.658 -9.800 118.611 1.00 39.99 C ATOM 550 CG ARG A 58 36.174 -11.158 119.067 1.00 45.91 C ATOM 551 CD ARG A 58 37.113 -12.305 118.706 1.00 51.89 C ATOM 552 NE ARG A 58 36.908 -13.425 119.650 1.00 58.01 N ATOM 553 CZ ARG A 58 37.734 -13.779 120.642 1.00 59.88 C ATOM 554 NH1 ARG A 58 38.902 -13.157 120.847 1.00 60.51 N ATOM 555 NH2 ARG A 58 37.407 -14.798 121.435 1.00 69.93 N ATOM 556 HE ARG A 58 36.042 -13.989 119.532 1.00 0.00 H ATOM 557 HH12 ARG A 58 39.521 -13.457 121.627 1.00 0.00 H ATOM 558 HH11 ARG A 58 39.190 -12.374 120.226 1.00 0.00 H ATOM 559 HH22 ARG A 58 38.043 -15.080 122.208 1.00 0.00 H ATOM 560 HH21 ARG A 58 36.516 -15.312 121.281 1.00 0.00 H ATOM 561 H ARG A 58 36.927 -7.354 117.780 1.00 0.00 H ATOM 562 N VAL A 59 35.006 -8.792 121.434 1.00 32.66 N ATOM 563 CA VAL A 59 35.099 -8.937 122.897 1.00 37.49 C ATOM 564 C VAL A 59 35.673 -10.352 123.150 1.00 38.97 C ATOM 565 O VAL A 59 35.018 -11.361 122.924 1.00 38.28 O ATOM 566 CB VAL A 59 33.720 -8.798 123.576 1.00 37.87 C ATOM 567 CG1 VAL A 59 33.874 -8.911 125.069 1.00 39.43 C ATOM 568 CG2 VAL A 59 33.013 -7.494 123.167 1.00 38.15 C ATOM 569 H VAL A 59 34.081 -8.935 120.981 1.00 0.00 H ATOM 570 N GLY A 60 36.923 -10.423 123.558 1.00 46.63 N ATOM 571 CA GLY A 60 37.586 -11.701 123.644 1.00 52.53 C ATOM 572 C GLY A 60 39.029 -11.519 123.988 1.00 58.67 C ATOM 573 O GLY A 60 39.514 -10.371 124.101 1.00 58.55 O ATOM 574 H GLY A 60 37.433 -9.555 123.819 1.00 0.00 H ATOM 575 N ALA A 61 39.702 -12.659 124.131 1.00 65.40 N ATOM 576 CA ALA A 61 41.043 -12.721 124.683 1.00 71.82 C ATOM 577 C ALA A 61 42.040 -12.031 123.740 1.00 76.61 C ATOM 578 O ALA A 61 41.770 -11.927 122.543 1.00 71.10 O ATOM 579 CB ALA A 61 41.409 -14.172 124.957 1.00 77.10 C ATOM 580 H ALA A 61 39.246 -13.545 123.834 1.00 0.00 H ATOM 581 N PRO A 62 43.241 -11.671 124.247 1.00 90.56 N ATOM 582 CA PRO A 62 43.958 -10.438 123.983 1.00 91.08 C ATOM 583 C PRO A 62 43.107 -9.187 123.862 1.00 90.97 C ATOM 584 O PRO A 62 42.276 -9.106 122.969 1.00 98.55 O ATOM 585 CB PRO A 62 44.699 -10.780 122.688 1.00 93.29 C ATOM 586 CG PRO A 62 45.079 -12.235 122.920 1.00100.01 C ATOM 587 CD PRO A 62 44.234 -12.750 124.095 1.00100.90 C ATOM 588 N GLU A 63 43.349 -8.239 124.772 1.00 85.76 N ATOM 589 CA GLU A 63 42.633 -6.954 124.917 1.00 80.36 C ATOM 590 C GLU A 63 41.628 -7.040 126.076 1.00 70.30 C ATOM 591 O GLU A 63 41.527 -6.116 126.890 1.00 71.66 O ATOM 592 CB GLU A 63 42.054 -6.377 123.585 1.00 87.35 C ATOM 593 CG GLU A 63 40.672 -6.846 123.104 1.00 96.07 C ATOM 594 CD GLU A 63 40.537 -6.941 121.561 1.00108.57 C ATOM 595 OE1 GLU A 63 40.848 -5.939 120.861 1.00108.21 O ATOM 596 OE2 GLU A 63 40.102 -8.012 121.039 1.00105.46 O ATOM 597 H GLU A 63 44.119 -8.424 125.446 1.00 0.00 H ATOM 598 N TYR A 64 40.920 -8.157 126.193 1.00 62.19 N ATOM 599 CA TYR A 64 40.066 -8.387 127.354 1.00 62.47 C ATOM 600 C TYR A 64 40.504 -9.683 128.045 1.00 67.78 C ATOM 601 O TYR A 64 40.741 -10.707 127.385 1.00 67.81 O ATOM 602 CB TYR A 64 38.580 -8.487 126.945 1.00 59.01 C ATOM 603 CG TYR A 64 37.939 -7.237 126.331 1.00 52.58 C ATOM 604 CD1 TYR A 64 37.470 -6.186 127.125 1.00 51.08 C ATOM 605 CD2 TYR A 64 37.761 -7.134 124.951 1.00 50.80 C ATOM 606 CE1 TYR A 64 36.853 -5.067 126.550 1.00 50.19 C ATOM 607 CE2 TYR A 64 37.175 -6.025 124.367 1.00 48.04 C ATOM 608 CZ TYR A 64 36.722 -4.994 125.169 1.00 49.54 C ATOM 609 OH TYR A 64 36.142 -3.909 124.564 1.00 52.99 O ATOM 610 HH TYR A 64 35.868 -3.255 125.255 1.00 0.00 H ATOM 611 H TYR A 64 40.975 -8.879 125.446 1.00 0.00 H ATOM 612 N ASP A 65 40.602 -9.640 129.374 1.00 70.99 N ATOM 613 CA ASP A 65 40.753 -10.864 130.161 1.00 68.52 C ATOM 614 C ASP A 65 39.397 -11.599 130.090 1.00 65.80 C ATOM 615 O ASP A 65 38.377 -10.979 129.798 1.00 72.36 O ATOM 616 CB ASP A 65 41.252 -10.560 131.602 1.00 73.40 C ATOM 617 CG ASP A 65 40.148 -10.659 132.680 1.00 82.53 C ATOM 618 OD1 ASP A 65 39.720 -11.787 133.024 1.00 89.57 O ATOM 619 OD2 ASP A 65 39.732 -9.614 133.225 1.00 79.35 O ATOM 620 H ASP A 65 40.571 -8.721 129.859 1.00 0.00 H ATOM 621 N GLU A 66 39.400 -12.907 130.338 1.00 63.90 N ATOM 622 CA GLU A 66 38.225 -13.780 130.141 1.00 65.44 C ATOM 623 C GLU A 66 37.080 -13.574 131.163 1.00 63.96 C ATOM 624 O GLU A 66 35.921 -13.864 130.853 1.00 69.20 O ATOM 625 CB GLU A 66 38.648 -15.268 130.091 1.00 71.82 C ATOM 626 CG GLU A 66 39.317 -15.711 128.774 1.00 82.50 C ATOM 627 CD GLU A 66 40.497 -16.687 128.960 1.00 87.58 C ATOM 628 OE1 GLU A 66 40.273 -17.911 129.178 1.00 80.47 O ATOM 629 OE2 GLU A 66 41.664 -16.225 128.873 1.00 87.85 O ATOM 630 H GLU A 66 40.279 -13.338 130.690 1.00 0.00 H ATOM 631 N GLU A 67 37.376 -13.088 132.365 1.00 57.52 N ATOM 632 CA GLU A 67 36.306 -12.699 133.305 1.00 61.13 C ATOM 633 C GLU A 67 35.538 -11.477 132.764 1.00 59.81 C ATOM 634 O GLU A 67 34.302 -11.530 132.624 1.00 51.40 O ATOM 635 CB GLU A 67 36.882 -12.376 134.690 1.00 63.14 C ATOM 636 CG GLU A 67 35.839 -12.059 135.768 1.00 67.86 C ATOM 637 CD GLU A 67 36.434 -12.039 137.186 1.00 76.23 C ATOM 638 OE1 GLU A 67 37.441 -12.760 137.421 1.00 84.57 O ATOM 639 OE2 GLU A 67 35.900 -11.320 138.075 1.00 66.92 O ATOM 640 H GLU A 67 38.372 -12.981 132.646 1.00 0.00 H ATOM 641 N THR A 68 36.296 -10.395 132.475 1.00 57.21 N ATOM 642 CA THR A 68 35.770 -9.127 131.936 1.00 50.55 C ATOM 643 C THR A 68 35.070 -9.425 130.636 1.00 47.06 C ATOM 644 O THR A 68 33.890 -9.097 130.481 1.00 42.35 O ATOM 645 CB THR A 68 36.875 -8.075 131.702 1.00 50.84 C ATOM 646 OG1 THR A 68 37.352 -7.581 132.950 1.00 47.88 O ATOM 647 CG2 THR A 68 36.336 -6.895 130.966 1.00 53.36 C ATOM 648 HG1 THR A 68 37.723 -8.330 133.480 1.00 0.00 H ATOM 649 H THR A 68 37.320 -10.462 132.644 1.00 0.00 H ATOM 650 N ALA A 69 35.774 -10.104 129.731 1.00 45.36 N ATOM 651 CA ALA A 69 35.179 -10.491 128.467 1.00 49.62 C ATOM 652 C ALA A 69 33.803 -11.146 128.645 1.00 54.31 C ATOM 653 O ALA A 69 32.854 -10.770 127.961 1.00 56.36 O ATOM 654 CB ALA A 69 36.124 -11.377 127.665 1.00 50.14 C ATOM 655 H ALA A 69 36.762 -10.359 129.934 1.00 0.00 H ATOM 656 N GLU A 70 33.673 -12.086 129.588 1.00 62.25 N ATOM 657 CA GLU A 70 32.383 -12.797 129.803 1.00 59.05 C ATOM 658 C GLU A 70 31.319 -11.827 130.306 1.00 46.74 C ATOM 659 O GLU A 70 30.198 -11.830 129.826 1.00 41.77 O ATOM 660 CB GLU A 70 32.531 -14.008 130.756 1.00 65.54 C ATOM 661 CG GLU A 70 31.454 -15.094 130.598 1.00 73.59 C ATOM 662 CD GLU A 70 31.685 -16.319 131.500 1.00 84.58 C ATOM 663 OE1 GLU A 70 30.726 -16.787 132.174 1.00 87.07 O ATOM 664 OE2 GLU A 70 32.837 -16.811 131.553 1.00 88.57 O ATOM 665 H GLU A 70 34.491 -12.325 130.184 1.00 0.00 H ATOM 666 N GLN A 71 31.675 -10.976 131.250 1.00 43.54 N ATOM 667 CA GLN A 71 30.721 -9.999 131.769 1.00 49.08 C ATOM 668 C GLN A 71 30.208 -9.008 130.711 1.00 48.60 C ATOM 669 O GLN A 71 29.037 -8.592 130.769 1.00 46.13 O ATOM 670 CB GLN A 71 31.345 -9.212 132.903 1.00 52.90 C ATOM 671 CG GLN A 71 31.565 -10.054 134.141 1.00 56.02 C ATOM 672 CD GLN A 71 32.226 -9.277 135.239 1.00 59.33 C ATOM 673 OE1 GLN A 71 33.210 -8.566 135.014 1.00 59.90 O ATOM 674 NE2 GLN A 71 31.698 -9.412 136.443 1.00 63.16 N ATOM 675 HE22 GLN A 71 30.868 -10.023 136.581 1.00 0.00 H ATOM 676 HE21 GLN A 71 32.112 -8.907 137.252 1.00 0.00 H ATOM 677 H GLN A 71 32.644 -11.001 131.628 1.00 0.00 H ATOM 678 N LEU A 72 31.072 -8.631 129.762 1.00 39.79 N ATOM 679 CA LEU A 72 30.687 -7.665 128.749 1.00 36.75 C ATOM 680 C LEU A 72 29.896 -8.364 127.676 1.00 35.89 C ATOM 681 O LEU A 72 28.995 -7.760 127.116 1.00 35.35 O ATOM 682 CB LEU A 72 31.900 -6.897 128.180 1.00 36.36 C ATOM 683 CG LEU A 72 31.647 -5.931 126.995 1.00 35.24 C ATOM 684 CD1 LEU A 72 30.699 -4.821 127.407 1.00 35.64 C ATOM 685 CD2 LEU A 72 32.948 -5.339 126.470 1.00 36.11 C ATOM 686 H LEU A 72 32.030 -9.034 129.750 1.00 0.00 H ATOM 687 N ARG A 73 30.200 -9.632 127.380 1.00 38.14 N ATOM 688 CA ARG A 73 29.406 -10.380 126.380 1.00 41.88 C ATOM 689 C ARG A 73 27.981 -10.535 126.824 1.00 43.21 C ATOM 690 O ARG A 73 27.071 -10.524 125.980 1.00 48.24 O ATOM 691 CB ARG A 73 29.960 -11.783 126.060 1.00 45.68 C ATOM 692 CG ARG A 73 31.146 -11.788 125.117 1.00 49.38 C ATOM 693 CD ARG A 73 31.590 -13.182 124.647 1.00 52.11 C ATOM 694 NE ARG A 73 32.602 -12.989 123.601 1.00 55.58 N ATOM 695 CZ ARG A 73 32.413 -13.069 122.278 1.00 59.11 C ATOM 696 NH1 ARG A 73 31.245 -13.453 121.753 1.00 57.23 N ATOM 697 NH2 ARG A 73 33.438 -12.798 121.457 1.00 59.76 N ATOM 698 HE ARG A 73 33.566 -12.767 123.921 1.00 0.00 H ATOM 699 HH12 ARG A 73 31.131 -13.505 120.721 1.00 0.00 H ATOM 700 HH11 ARG A 73 30.451 -13.700 122.377 1.00 0.00 H ATOM 701 HH22 ARG A 73 33.308 -12.855 120.427 1.00 0.00 H ATOM 702 HH21 ARG A 73 34.363 -12.530 121.851 1.00 0.00 H ATOM 703 H ARG A 73 31.000 -10.096 127.856 1.00 0.00 H ATOM 704 N ASP A 74 27.783 -10.688 128.140 1.00 43.46 N ATOM 705 CA ASP A 74 26.443 -10.837 128.703 1.00 45.67 C ATOM 706 C ASP A 74 25.692 -9.499 128.555 1.00 42.25 C ATOM 707 O ASP A 74 24.587 -9.473 128.001 1.00 37.62 O ATOM 708 CB ASP A 74 26.494 -11.300 130.183 1.00 51.69 C ATOM 709 CG ASP A 74 25.075 -11.501 130.813 1.00 59.74 C ATOM 710 OD1 ASP A 74 24.356 -12.470 130.426 1.00 61.63 O ATOM 711 OD2 ASP A 74 24.683 -10.690 131.703 1.00 61.91 O ATOM 712 H ASP A 74 28.605 -10.701 128.778 1.00 0.00 H ATOM 713 N LEU A 75 26.307 -8.401 129.024 1.00 40.07 N ATOM 714 CA LEU A 75 25.731 -7.058 128.826 1.00 38.85 C ATOM 715 C LEU A 75 25.465 -6.763 127.360 1.00 36.69 C ATOM 716 O LEU A 75 24.376 -6.295 127.025 1.00 35.17 O ATOM 717 CB LEU A 75 26.586 -5.963 129.412 1.00 36.43 C ATOM 718 CG LEU A 75 26.765 -5.982 130.924 1.00 39.49 C ATOM 719 CD1 LEU A 75 27.578 -4.757 131.277 1.00 39.90 C ATOM 720 CD2 LEU A 75 25.472 -6.012 131.726 1.00 41.03 C ATOM 721 H LEU A 75 27.207 -8.500 129.537 1.00 0.00 H ATOM 722 N VAL A 76 26.413 -7.076 126.480 1.00 34.76 N ATOM 723 CA VAL A 76 26.197 -6.760 125.075 1.00 34.74 C ATOM 724 C VAL A 76 24.967 -7.505 124.606 1.00 36.48 C ATOM 725 O VAL A 76 24.083 -6.900 123.998 1.00 40.73 O ATOM 726 CB VAL A 76 27.441 -7.043 124.192 1.00 32.95 C ATOM 727 CG1 VAL A 76 27.098 -7.020 122.724 1.00 31.69 C ATOM 728 CG2 VAL A 76 28.538 -6.022 124.470 1.00 31.57 C ATOM 729 H VAL A 76 27.292 -7.538 126.790 1.00 0.00 H ATOM 730 N ALA A 77 24.910 -8.815 124.877 1.00 41.48 N ATOM 731 CA ALA A 77 23.789 -9.681 124.398 1.00 41.98 C ATOM 732 C ALA A 77 22.422 -9.251 124.904 1.00 37.95 C ATOM 733 O ALA A 77 21.435 -9.398 124.202 1.00 39.96 O ATOM 734 CB ALA A 77 24.025 -11.140 124.771 1.00 43.44 C ATOM 735 H ALA A 77 25.671 -9.245 125.440 1.00 0.00 H ATOM 736 N LYS A 78 22.380 -8.701 126.102 1.00 39.33 N ATOM 737 CA LYS A 78 21.167 -8.118 126.664 1.00 45.98 C ATOM 738 C LYS A 78 20.772 -6.687 126.187 1.00 45.70 C ATOM 739 O LYS A 78 19.890 -6.081 126.809 1.00 45.47 O ATOM 740 CB LYS A 78 21.275 -8.112 128.220 1.00 55.40 C ATOM 741 CG LYS A 78 21.352 -9.499 128.865 1.00 63.11 C ATOM 742 CD LYS A 78 21.202 -9.496 130.399 1.00 68.37 C ATOM 743 CE LYS A 78 20.969 -10.929 130.939 1.00 74.53 C ATOM 744 NZ LYS A 78 19.958 -11.096 132.039 1.00 70.03 N ATOM 745 HZ1 LYS A 78 20.249 -10.533 132.864 1.00 0.00 H ATOM 746 HZ2 LYS A 78 19.028 -10.771 131.706 1.00 0.00 H ATOM 747 HZ3 LYS A 78 19.900 -12.100 132.306 1.00 0.00 H ATOM 748 H LYS A 78 23.250 -8.682 126.671 1.00 0.00 H ATOM 749 N GLY A 79 21.389 -6.115 125.138 1.00 42.09 N ATOM 750 CA GLY A 79 20.999 -4.742 124.672 1.00 35.04 C ATOM 751 C GLY A 79 21.285 -3.604 125.653 1.00 33.39 C ATOM 752 O GLY A 79 20.601 -2.594 125.682 1.00 36.31 O ATOM 753 H GLY A 79 22.145 -6.630 124.644 1.00 0.00 H ATOM 754 N VAL A 80 22.329 -3.747 126.442 1.00 33.53 N ATOM 755 CA VAL A 80 22.686 -2.724 127.427 1.00 36.01 C ATOM 756 C VAL A 80 23.534 -1.581 126.843 1.00 35.06 C ATOM 757 O VAL A 80 23.440 -0.441 127.340 1.00 36.20 O ATOM 758 CB VAL A 80 23.407 -3.400 128.600 1.00 37.71 C ATOM 759 CG1 VAL A 80 23.911 -2.409 129.634 1.00 38.31 C ATOM 760 CG2 VAL A 80 22.425 -4.373 129.268 1.00 45.21 C ATOM 761 H VAL A 80 22.912 -4.604 126.364 1.00 0.00 H ATOM 762 N ILE A 81 24.345 -1.892 125.823 1.00 32.88 N ATOM 763 CA ILE A 81 25.315 -0.964 125.221 1.00 34.27 C ATOM 764 C ILE A 81 24.668 -0.222 124.052 1.00 31.01 C ATOM 765 O ILE A 81 24.329 -0.831 123.011 1.00 29.56 O ATOM 766 CB ILE A 81 26.577 -1.684 124.705 1.00 35.84 C ATOM 767 CG1 ILE A 81 27.284 -2.386 125.852 1.00 39.39 C ATOM 768 CG2 ILE A 81 27.539 -0.710 123.977 1.00 37.07 C ATOM 769 CD1 ILE A 81 27.769 -1.480 126.979 1.00 39.94 C ATOM 770 H ILE A 81 24.285 -2.853 125.431 1.00 0.00 H ATOM 771 N GLY A 82 24.464 1.078 124.269 1.00 28.90 N ATOM 772 CA GLY A 82 23.960 2.005 123.224 1.00 29.57 C ATOM 773 C GLY A 82 25.161 2.567 122.524 1.00 25.71 C ATOM 774 O GLY A 82 25.999 3.148 123.174 1.00 25.12 O ATOM 775 H GLY A 82 24.667 1.461 125.214 1.00 0.00 H ATOM 776 N VAL A 83 25.286 2.305 121.227 1.00 25.38 N ATOM 777 CA VAL A 83 26.448 2.786 120.459 1.00 24.35 C ATOM 778 C VAL A 83 26.403 4.290 120.187 1.00 21.78 C ATOM 779 O VAL A 83 27.379 5.023 120.431 1.00 19.13 O ATOM 780 CB VAL A 83 26.582 2.082 119.119 1.00 23.64 C ATOM 781 CG1 VAL A 83 27.709 2.711 118.323 1.00 23.74 C ATOM 782 CG2 VAL A 83 26.929 0.620 119.377 1.00 24.96 C ATOM 783 H VAL A 83 24.550 1.750 120.745 1.00 0.00 H ATOM 784 N GLY A 84 25.277 4.728 119.643 1.00 22.99 N ATOM 785 CA GLY A 84 25.089 6.162 119.317 1.00 22.24 C ATOM 786 C GLY A 84 23.785 6.464 118.612 1.00 22.70 C ATOM 787 O GLY A 84 22.816 5.744 118.756 1.00 18.68 O ATOM 788 H GLY A 84 24.511 4.054 119.441 1.00 0.00 H ATOM 789 N VAL A 85 23.794 7.531 117.813 1.00 24.00 N ATOM 790 CA VAL A 85 22.610 8.040 117.155 1.00 24.56 C ATOM 791 C VAL A 85 22.917 8.245 115.683 1.00 23.60 C ATOM 792 O VAL A 85 23.864 8.947 115.347 1.00 27.09 O ATOM 793 CB VAL A 85 22.201 9.400 117.768 1.00 29.20 C ATOM 794 CG1 VAL A 85 20.908 9.942 117.132 1.00 29.36 C ATOM 795 CG2 VAL A 85 22.097 9.348 119.293 1.00 29.27 C ATOM 796 H VAL A 85 24.697 8.022 117.655 1.00 0.00 H ATOM 797 N LEU A 86 22.153 7.603 114.828 1.00 22.26 N ATOM 798 CA LEU A 86 22.139 7.823 113.402 1.00 24.93 C ATOM 799 C LEU A 86 21.075 8.898 113.044 1.00 27.54 C ATOM 800 O LEU A 86 19.910 8.833 113.488 1.00 26.66 O ATOM 801 CB LEU A 86 21.769 6.516 112.691 1.00 25.94 C ATOM 802 CG LEU A 86 22.772 5.372 112.654 1.00 30.21 C ATOM 803 CD1 LEU A 86 22.220 4.222 111.820 1.00 30.82 C ATOM 804 CD2 LEU A 86 24.130 5.804 112.065 1.00 30.80 C ATOM 805 H LEU A 86 21.509 6.881 115.208 1.00 0.00 H ATOM 806 N HIS A 87 21.477 9.900 112.281 1.00 27.99 N ATOM 807 CA HIS A 87 20.582 10.958 111.826 1.00 29.85 C ATOM 808 C HIS A 87 20.230 10.720 110.378 1.00 28.25 C ATOM 809 O HIS A 87 21.103 10.465 109.567 1.00 26.85 O ATOM 810 CB HIS A 87 21.201 12.326 111.999 1.00 33.33 C ATOM 811 CG HIS A 87 20.223 13.455 111.872 1.00 43.75 C ATOM 812 ND1 HIS A 87 20.024 14.137 110.687 1.00 47.32 N ATOM 813 CD2 HIS A 87 19.395 14.033 112.780 1.00 49.94 C ATOM 814 CE1 HIS A 87 19.112 15.078 110.870 1.00 49.47 C ATOM 815 NE2 HIS A 87 18.717 15.040 112.131 1.00 49.75 N ATOM 816 H HIS A 87 22.476 9.935 111.992 1.00 0.00 H ATOM 817 N VAL A 88 18.933 10.745 110.088 1.00 29.48 N ATOM 818 CA VAL A 88 18.389 10.606 108.721 1.00 32.30 C ATOM 819 C VAL A 88 17.403 11.750 108.410 1.00 33.08 C ATOM 820 O VAL A 88 17.007 12.521 109.305 1.00 30.09 O ATOM 821 CB VAL A 88 17.705 9.228 108.492 1.00 33.78 C ATOM 822 CG1 VAL A 88 18.721 8.093 108.507 1.00 32.74 C ATOM 823 CG2 VAL A 88 16.618 8.951 109.534 1.00 36.35 C ATOM 824 H VAL A 88 18.260 10.870 110.871 1.00 0.00 H ATOM 825 N ASP A 89 17.015 11.871 107.144 1.00 41.57 N ATOM 826 CA ASP A 89 16.041 12.880 106.771 1.00 43.84 C ATOM 827 C ASP A 89 14.654 12.515 107.297 1.00 43.95 C ATOM 828 O ASP A 89 13.957 13.374 107.855 1.00 39.36 O ATOM 829 CB ASP A 89 15.988 13.097 105.274 1.00 47.96 C ATOM 830 CG ASP A 89 15.092 14.299 104.904 1.00 55.60 C ATOM 831 OD1 ASP A 89 15.379 15.451 105.327 1.00 56.70 O ATOM 832 OD2 ASP A 89 14.070 14.090 104.223 1.00 64.25 O ATOM 833 H ASP A 89 17.411 11.240 106.418 1.00 0.00 H ATOM 834 N ASP A 90 14.283 11.238 107.139 1.00 47.24 N ATOM 835 CA ASP A 90 12.971 10.708 107.587 1.00 45.85 C ATOM 836 C ASP A 90 13.038 9.333 108.353 1.00 39.37 C ATOM 837 O ASP A 90 13.186 8.258 107.744 1.00 33.51 O ATOM 838 CB ASP A 90 12.037 10.652 106.362 1.00 48.64 C ATOM 839 CG ASP A 90 10.622 10.244 106.705 1.00 53.98 C ATOM 840 OD1 ASP A 90 10.124 10.544 107.815 1.00 58.30 O ATOM 841 OD2 ASP A 90 10.008 9.585 105.848 1.00 63.83 O ATOM 842 H ASP A 90 14.948 10.584 106.679 1.00 0.00 H ATOM 843 N THR A 91 12.889 9.391 109.689 1.00 38.37 N ATOM 844 CA THR A 91 12.944 8.188 110.561 1.00 36.15 C ATOM 845 C THR A 91 11.993 7.115 110.082 1.00 40.07 C ATOM 846 O THR A 91 12.403 5.960 109.925 1.00 44.20 O ATOM 847 CB THR A 91 12.609 8.522 112.022 1.00 34.91 C ATOM 848 OG1 THR A 91 13.518 9.517 112.507 1.00 36.31 O ATOM 849 CG2 THR A 91 12.694 7.304 112.937 1.00 33.41 C ATOM 850 HG1 THR A 91 13.300 9.730 113.449 1.00 0.00 H ATOM 851 H THR A 91 12.728 10.318 110.131 1.00 0.00 H ATOM 852 N ARG A 92 10.740 7.504 109.798 1.00 45.41 N ATOM 853 CA ARG A 92 9.691 6.538 109.333 1.00 46.13 C ATOM 854 C ARG A 92 10.015 5.844 108.006 1.00 39.98 C ATOM 855 O ARG A 92 9.742 4.693 107.872 1.00 42.57 O ATOM 856 CB ARG A 92 8.280 7.164 109.244 1.00 51.11 C ATOM 857 CG ARG A 92 7.767 7.827 110.523 1.00 54.02 C ATOM 858 CD ARG A 92 6.270 8.127 110.465 1.00 59.71 C ATOM 859 NE ARG A 92 5.880 9.198 111.406 1.00 63.96 N ATOM 860 CZ ARG A 92 5.654 9.048 112.718 1.00 66.12 C ATOM 861 NH1 ARG A 92 5.767 7.864 113.302 1.00 68.48 N ATOM 862 NH2 ARG A 92 5.316 10.100 113.466 1.00 68.94 N ATOM 863 HE ARG A 92 5.771 10.155 111.014 1.00 0.00 H ATOM 864 HH12 ARG A 92 5.587 7.768 114.322 1.00 0.00 H ATOM 865 HH11 ARG A 92 6.035 7.031 112.741 1.00 0.00 H ATOM 866 HH22 ARG A 92 5.141 9.980 114.484 1.00 0.00 H ATOM 867 HH21 ARG A 92 5.227 11.040 113.031 1.00 0.00 H ATOM 868 H ARG A 92 10.488 8.508 109.904 1.00 0.00 H ATOM 869 N ALA A 93 10.619 6.527 107.047 1.00 41.16 N ATOM 870 CA ALA A 93 11.013 5.883 105.778 1.00 40.98 C ATOM 871 C ALA A 93 12.244 5.007 105.964 1.00 45.65 C ATOM 872 O ALA A 93 12.345 3.933 105.376 1.00 44.07 O ATOM 873 CB ALA A 93 11.292 6.927 104.721 1.00 40.99 C ATOM 874 H ALA A 93 10.820 7.537 107.190 1.00 0.00 H ATOM 875 N THR A 94 13.202 5.479 106.770 1.00 47.40 N ATOM 876 CA THR A 94 14.419 4.686 107.033 1.00 43.94 C ATOM 877 C THR A 94 14.084 3.420 107.819 1.00 41.84 C ATOM 878 O THR A 94 14.583 2.357 107.482 1.00 45.90 O ATOM 879 CB THR A 94 15.500 5.485 107.785 1.00 37.16 C ATOM 880 OG1 THR A 94 15.860 6.606 106.999 1.00 37.55 O ATOM 881 CG2 THR A 94 16.765 4.629 107.995 1.00 38.07 C ATOM 882 HG1 THR A 94 15.062 7.173 106.851 1.00 0.00 H ATOM 883 H THR A 94 13.088 6.412 107.215 1.00 0.00 H ATOM 884 N TYR A 95 13.258 3.566 108.855 1.00 41.67 N ATOM 885 CA TYR A 95 12.698 2.440 109.623 1.00 45.44 C ATOM 886 C TYR A 95 12.129 1.368 108.737 1.00 45.63 C ATOM 887 O TYR A 95 12.343 0.189 108.987 1.00 47.08 O ATOM 888 CB TYR A 95 11.612 2.977 110.550 1.00 50.13 C ATOM 889 CG TYR A 95 10.658 1.987 111.190 1.00 54.12 C ATOM 890 CD1 TYR A 95 11.014 1.294 112.337 1.00 52.60 C ATOM 891 CD2 TYR A 95 9.359 1.808 110.686 1.00 58.46 C ATOM 892 CE1 TYR A 95 10.129 0.433 112.960 1.00 55.09 C ATOM 893 CE2 TYR A 95 8.464 0.945 111.301 1.00 55.99 C ATOM 894 CZ TYR A 95 8.855 0.263 112.431 1.00 58.51 C ATOM 895 OH TYR A 95 7.985 -0.599 113.035 1.00 64.98 O ATOM 896 HH TYR A 95 7.175 -0.105 113.318 1.00 0.00 H ATOM 897 H TYR A 95 12.993 4.531 109.138 1.00 0.00 H ATOM 898 N GLU A 96 11.419 1.803 107.695 1.00 57.19 N ATOM 899 CA GLU A 96 10.808 0.904 106.694 1.00 63.19 C ATOM 900 C GLU A 96 11.845 0.191 105.825 1.00 54.93 C ATOM 901 O GLU A 96 11.850 -1.035 105.778 1.00 51.64 O ATOM 902 CB GLU A 96 9.771 1.650 105.821 1.00 68.56 C ATOM 903 CG GLU A 96 8.507 2.089 106.579 1.00 81.13 C ATOM 904 CD GLU A 96 7.612 0.937 107.032 1.00 85.14 C ATOM 905 OE1 GLU A 96 7.350 0.043 106.208 1.00 93.39 O ATOM 906 OE2 GLU A 96 7.160 0.925 108.204 1.00 84.49 O ATOM 907 H GLU A 96 11.289 2.828 107.581 1.00 0.00 H ATOM 908 N ARG A 97 12.712 0.966 105.170 1.00 53.21 N ATOM 909 CA ARG A 97 13.849 0.442 104.384 1.00 56.30 C ATOM 910 C ARG A 97 14.733 -0.530 105.197 1.00 54.97 C ATOM 911 O ARG A 97 15.230 -1.524 104.633 1.00 52.05 O ATOM 912 CB ARG A 97 14.673 1.606 103.748 1.00 61.60 C ATOM 913 CG ARG A 97 16.108 1.298 103.276 1.00 64.76 C ATOM 914 CD ARG A 97 16.717 2.445 102.452 1.00 71.40 C ATOM 915 NE ARG A 97 18.037 2.887 102.952 1.00 75.67 N ATOM 916 CZ ARG A 97 18.329 4.071 103.538 1.00 80.58 C ATOM 917 NH1 ARG A 97 17.405 5.024 103.739 1.00 81.09 N ATOM 918 NH2 ARG A 97 19.587 4.323 103.939 1.00 75.43 N ATOM 919 HE ARG A 97 18.824 2.216 102.841 1.00 0.00 H ATOM 920 HH12 ARG A 97 17.673 5.920 104.194 1.00 0.00 H ATOM 921 HH11 ARG A 97 16.421 4.866 103.440 1.00 0.00 H ATOM 922 HH22 ARG A 97 19.817 5.231 104.390 1.00 0.00 H ATOM 923 HH21 ARG A 97 20.330 3.609 103.798 1.00 0.00 H ATOM 924 H ARG A 97 12.580 1.997 105.215 1.00 0.00 H ATOM 925 N TYR A 98 14.925 -0.234 106.497 1.00 52.71 N ATOM 926 CA TYR A 98 15.769 -1.070 107.389 1.00 49.18 C ATOM 927 C TYR A 98 15.052 -2.317 107.791 1.00 49.47 C ATOM 928 O TYR A 98 15.687 -3.343 107.845 1.00 46.26 O ATOM 929 CB TYR A 98 16.206 -0.359 108.678 1.00 44.93 C ATOM 930 CG TYR A 98 17.415 0.553 108.604 1.00 45.76 C ATOM 931 CD1 TYR A 98 17.989 0.944 107.379 1.00 45.91 C ATOM 932 CD2 TYR A 98 17.961 1.078 109.778 1.00 42.40 C ATOM 933 CE1 TYR A 98 19.065 1.808 107.351 1.00 44.66 C ATOM 934 CE2 TYR A 98 19.034 1.950 109.749 1.00 42.17 C ATOM 935 CZ TYR A 98 19.583 2.308 108.537 1.00 41.58 C ATOM 936 OH TYR A 98 20.666 3.148 108.502 1.00 44.39 O ATOM 937 HH TYR A 98 20.933 3.302 107.561 1.00 0.00 H ATOM 938 H TYR A 98 14.465 0.612 106.891 1.00 0.00 H ATOM 939 N ARG A 99 13.752 -2.212 108.107 1.00 57.58 N ATOM 940 CA ARG A 99 12.882 -3.386 108.358 1.00 61.61 C ATOM 941 C ARG A 99 12.860 -4.381 107.166 1.00 58.77 C ATOM 942 O ARG A 99 12.826 -5.595 107.376 1.00 58.62 O ATOM 943 CB ARG A 99 11.472 -2.921 108.766 1.00 69.65 C ATOM 944 CG ARG A 99 10.410 -4.018 108.867 1.00 78.80 C ATOM 945 CD ARG A 99 9.398 -3.770 109.987 1.00 83.25 C ATOM 946 NE ARG A 99 10.033 -3.902 111.305 1.00 86.26 N ATOM 947 CZ ARG A 99 10.421 -5.054 111.877 1.00 87.61 C ATOM 948 NH1 ARG A 99 10.234 -6.232 111.280 1.00 86.72 N ATOM 949 NH2 ARG A 99 11.002 -5.037 113.078 1.00 81.14 N ATOM 950 HE ARG A 99 10.197 -3.027 111.843 1.00 0.00 H ATOM 951 HH12 ARG A 99 10.545 -7.107 111.748 1.00 0.00 H ATOM 952 HH11 ARG A 99 9.777 -6.275 110.347 1.00 0.00 H ATOM 953 HH22 ARG A 99 11.303 -5.928 113.523 1.00 0.00 H ATOM 954 HH21 ARG A 99 11.154 -4.133 113.570 1.00 0.00 H ATOM 955 H ARG A 99 13.335 -1.262 108.179 1.00 0.00 H ATOM 956 N ALA A 100 12.974 -3.869 105.940 1.00 62.51 N ATOM 957 CA ALA A 100 12.966 -4.688 104.699 1.00 64.37 C ATOM 958 C ALA A 100 14.131 -5.673 104.587 1.00 63.24 C ATOM 959 O ALA A 100 13.921 -6.825 104.222 1.00 53.65 O ATOM 960 CB ALA A 100 12.926 -3.782 103.459 1.00 66.52 C ATOM 961 H ALA A 100 13.074 -2.838 105.847 1.00 0.00 H ATOM 962 N ALA A 101 15.358 -5.201 104.846 1.00 64.06 N ATOM 963 CA ALA A 101 16.457 -6.094 105.236 1.00 60.52 C ATOM 964 C ALA A 101 16.172 -6.469 106.699 1.00 57.44 C ATOM 965 O ALA A 101 15.383 -5.823 107.345 1.00 61.89 O ATOM 966 CB ALA A 101 17.787 -5.391 105.097 1.00 64.58 C ATOM 967 H ALA A 101 15.536 -4.179 104.769 1.00 0.00 H ATOM 968 N GLY A 102 16.767 -7.501 107.254 1.00 50.24 N ATOM 969 CA GLY A 102 16.288 -7.966 108.565 1.00 48.43 C ATOM 970 C GLY A 102 16.555 -7.160 109.829 1.00 48.03 C ATOM 971 O GLY A 102 16.824 -7.750 110.874 1.00 54.49 O ATOM 972 H GLY A 102 17.559 -7.978 106.777 1.00 0.00 H ATOM 973 N VAL A 103 16.456 -5.833 109.800 1.00 47.18 N ATOM 974 CA VAL A 103 16.787 -5.043 111.001 1.00 45.92 C ATOM 975 C VAL A 103 15.681 -5.085 112.065 1.00 43.31 C ATOM 976 O VAL A 103 14.578 -4.664 111.826 1.00 48.54 O ATOM 977 CB VAL A 103 17.145 -3.564 110.671 1.00 45.89 C ATOM 978 CG1 VAL A 103 17.543 -2.809 111.941 1.00 45.22 C ATOM 979 CG2 VAL A 103 18.276 -3.465 109.637 1.00 43.55 C ATOM 980 H VAL A 103 16.145 -5.353 108.931 1.00 0.00 H ATOM 981 N ILE A 104 16.008 -5.552 113.259 1.00 48.10 N ATOM 982 CA ILE A 104 15.042 -5.687 114.357 1.00 46.74 C ATOM 983 C ILE A 104 14.947 -4.389 115.159 1.00 45.87 C ATOM 984 O ILE A 104 15.895 -3.999 115.850 1.00 42.83 O ATOM 985 CB ILE A 104 15.463 -6.835 115.318 1.00 49.83 C ATOM 986 CG1 ILE A 104 15.525 -8.190 114.574 1.00 52.65 C ATOM 987 CG2 ILE A 104 14.560 -6.902 116.553 1.00 46.88 C ATOM 988 CD1 ILE A 104 14.201 -8.660 113.996 1.00 54.57 C ATOM 989 H ILE A 104 16.994 -5.836 113.428 1.00 0.00 H ATOM 990 N PHE A 105 13.810 -3.713 115.087 1.00 41.55 N ATOM 991 CA PHE A 105 13.625 -2.534 115.916 1.00 41.72 C ATOM 992 C PHE A 105 13.063 -2.979 117.210 1.00 40.78 C ATOM 993 O PHE A 105 12.270 -3.896 117.222 1.00 46.90 O ATOM 994 CB PHE A 105 12.697 -1.513 115.260 1.00 43.51 C ATOM 995 CG PHE A 105 13.356 -0.750 114.161 1.00 38.62 C ATOM 996 CD1 PHE A 105 13.786 0.547 114.367 1.00 37.50 C ATOM 997 CD2 PHE A 105 13.611 -1.365 112.958 1.00 37.83 C ATOM 998 CE1 PHE A 105 14.442 1.232 113.363 1.00 40.19 C ATOM 999 CE2 PHE A 105 14.239 -0.681 111.936 1.00 42.99 C ATOM 1000 CZ PHE A 105 14.664 0.624 112.142 1.00 41.85 C ATOM 1001 H PHE A 105 13.056 -4.024 114.442 1.00 0.00 H ATOM 1002 N ILE A 106 13.514 -2.349 118.285 1.00 39.44 N ATOM 1003 CA ILE A 106 12.968 -2.516 119.606 1.00 42.65 C ATOM 1004 C ILE A 106 12.163 -1.307 120.101 1.00 44.68 C ATOM 1005 O ILE A 106 11.512 -1.383 121.150 1.00 50.12 O ATOM 1006 CB ILE A 106 14.091 -2.869 120.620 1.00 47.30 C ATOM 1007 CG1 ILE A 106 14.935 -1.670 121.000 1.00 47.32 C ATOM 1008 CG2 ILE A 106 15.005 -3.958 120.061 1.00 46.94 C ATOM 1009 CD1 ILE A 106 15.945 -1.997 122.083 1.00 51.30 C ATOM 1010 H ILE A 106 14.312 -1.693 118.167 1.00 0.00 H ATOM 1011 N GLN A 107 12.258 -0.175 119.398 1.00 45.83 N ATOM 1012 CA GLN A 107 11.312 0.932 119.556 1.00 42.69 C ATOM 1013 C GLN A 107 10.936 1.416 118.177 1.00 41.40 C ATOM 1014 O GLN A 107 11.789 1.742 117.380 1.00 36.43 O ATOM 1015 CB GLN A 107 11.924 2.052 120.368 1.00 41.53 C ATOM 1016 CG GLN A 107 10.898 2.977 120.990 1.00 44.08 C ATOM 1017 CD GLN A 107 11.527 4.270 121.420 1.00 43.13 C ATOM 1018 OE1 GLN A 107 11.881 4.426 122.564 1.00 43.60 O ATOM 1019 NE2 GLN A 107 11.734 5.185 120.471 1.00 46.68 N ATOM 1020 HE22 GLN A 107 11.412 5.008 119.498 1.00 0.00 H ATOM 1021 HE21 GLN A 107 12.218 6.076 120.704 1.00 0.00 H ATOM 1022 H GLN A 107 13.033 -0.076 118.712 1.00 0.00 H ATOM 1023 N GLU A 108 9.641 1.432 117.884 1.00 48.35 N ATOM 1024 CA GLU A 108 9.136 1.968 116.608 1.00 49.27 C ATOM 1025 C GLU A 108 9.268 3.520 116.596 1.00 43.08 C ATOM 1026 O GLU A 108 9.493 4.121 117.659 1.00 42.96 O ATOM 1027 CB GLU A 108 7.671 1.558 116.428 1.00 55.72 C ATOM 1028 CG GLU A 108 7.403 0.069 116.213 1.00 62.19 C ATOM 1029 CD GLU A 108 6.019 -0.181 115.576 1.00 67.73 C ATOM 1030 OE1 GLU A 108 5.033 0.521 115.938 1.00 65.68 O ATOM 1031 OE2 GLU A 108 5.907 -1.066 114.696 1.00 63.88 O ATOM 1032 H GLU A 108 8.963 1.055 118.576 1.00 0.00 H ATOM 1033 N PRO A 109 9.132 4.176 115.412 1.00 39.90 N ATOM 1034 CA PRO A 109 9.148 5.652 115.330 1.00 40.00 C ATOM 1035 C PRO A 109 8.257 6.337 116.357 1.00 40.16 C ATOM 1036 O PRO A 109 7.102 5.953 116.493 1.00 45.89 O ATOM 1037 CB PRO A 109 8.629 5.909 113.928 1.00 38.48 C ATOM 1038 CG PRO A 109 9.167 4.775 113.161 1.00 39.45 C ATOM 1039 CD PRO A 109 9.072 3.585 114.067 1.00 37.75 C ATOM 1040 N VAL A 110 8.803 7.304 117.092 1.00 41.15 N ATOM 1041 CA VAL A 110 8.081 8.027 118.150 1.00 45.63 C ATOM 1042 C VAL A 110 8.459 9.528 118.229 1.00 48.04 C ATOM 1043 O VAL A 110 9.623 9.877 118.492 1.00 42.80 O ATOM 1044 CB VAL A 110 8.285 7.349 119.522 1.00 47.91 C ATOM 1045 CG1 VAL A 110 7.816 8.234 120.674 1.00 50.77 C ATOM 1046 CG2 VAL A 110 7.550 6.022 119.570 1.00 50.71 C ATOM 1047 H VAL A 110 9.794 7.562 116.908 1.00 0.00 H ATOM 1048 N LYS A 111 7.443 10.390 118.034 1.00 50.06 N ATOM 1049 CA LYS A 111 7.557 11.852 118.122 1.00 54.34 C ATOM 1050 C LYS A 111 8.109 12.251 119.475 1.00 50.92 C ATOM 1051 O LYS A 111 7.573 11.850 120.492 1.00 52.44 O ATOM 1052 CB LYS A 111 6.189 12.558 117.989 1.00 56.57 C ATOM 1053 CG LYS A 111 5.410 12.434 116.680 1.00 60.84 C ATOM 1054 CD LYS A 111 3.990 12.987 116.892 1.00 67.89 C ATOM 1055 CE LYS A 111 3.059 12.773 115.706 1.00 72.28 C ATOM 1056 NZ LYS A 111 3.317 13.714 114.572 1.00 76.09 N ATOM 1057 HZ1 LYS A 111 3.188 14.693 114.899 1.00 0.00 H ATOM 1058 HZ2 LYS A 111 4.292 13.587 114.232 1.00 0.00 H ATOM 1059 HZ3 LYS A 111 2.650 13.515 113.799 1.00 0.00 H ATOM 1060 H LYS A 111 6.510 9.992 117.804 1.00 0.00 H ATOM 1061 N ARG A 112 9.145 13.075 119.489 1.00 48.48 N ATOM 1062 CA ARG A 112 9.756 13.521 120.741 1.00 50.37 C ATOM 1063 C ARG A 112 9.989 15.024 120.644 1.00 47.71 C ATOM 1064 O ARG A 112 9.902 15.581 119.580 1.00 44.74 O ATOM 1065 CB ARG A 112 11.053 12.734 120.969 1.00 54.58 C ATOM 1066 CG ARG A 112 10.784 11.293 121.394 1.00 62.94 C ATOM 1067 CD ARG A 112 11.813 10.761 122.382 1.00 71.54 C ATOM 1068 NE ARG A 112 11.250 9.825 123.374 1.00 78.10 N ATOM 1069 CZ ARG A 112 10.855 8.570 123.143 1.00 76.24 C ATOM 1070 NH1 ARG A 112 10.913 8.045 121.920 1.00 84.87 N ATOM 1071 NH2 ARG A 112 10.377 7.835 124.148 1.00 69.36 N ATOM 1072 HE ARG A 112 11.151 10.177 124.348 1.00 0.00 H ATOM 1073 HH12 ARG A 112 10.601 7.066 121.759 1.00 0.00 H ATOM 1074 HH11 ARG A 112 11.270 8.614 121.126 1.00 0.00 H ATOM 1075 HH22 ARG A 112 10.068 6.857 123.976 1.00 0.00 H ATOM 1076 HH21 ARG A 112 10.314 8.240 125.104 1.00 0.00 H ATOM 1077 H ARG A 112 9.535 13.414 118.586 1.00 0.00 H ATOM 1078 N PRO A 113 10.289 15.690 121.751 1.00 52.49 N ATOM 1079 CA PRO A 113 10.399 17.162 121.636 1.00 55.24 C ATOM 1080 C PRO A 113 11.347 17.710 120.539 1.00 54.91 C ATOM 1081 O PRO A 113 11.132 18.810 120.029 1.00 52.28 O ATOM 1082 CB PRO A 113 10.885 17.595 123.039 1.00 57.68 C ATOM 1083 CG PRO A 113 10.929 16.367 123.898 1.00 55.66 C ATOM 1084 CD PRO A 113 10.309 15.224 123.152 1.00 55.50 C ATOM 1085 N TYR A 114 12.352 16.915 120.176 1.00 57.49 N ATOM 1086 CA TYR A 114 13.442 17.317 119.305 1.00 59.50 C ATOM 1087 C TYR A 114 13.334 16.778 117.880 1.00 50.66 C ATOM 1088 O TYR A 114 13.973 17.293 116.961 1.00 50.88 O ATOM 1089 CB TYR A 114 14.774 16.843 119.923 1.00 74.30 C ATOM 1090 CG TYR A 114 14.913 15.331 120.269 1.00 85.43 C ATOM 1091 CD1 TYR A 114 15.013 14.341 119.264 1.00 89.47 C ATOM 1092 CD2 TYR A 114 15.012 14.907 121.606 1.00 92.31 C ATOM 1093 CE1 TYR A 114 15.178 12.993 119.590 1.00 92.82 C ATOM 1094 CE2 TYR A 114 15.178 13.560 121.939 1.00 98.67 C ATOM 1095 CZ TYR A 114 15.259 12.610 120.932 1.00101.20 C ATOM 1096 OH TYR A 114 15.415 11.287 121.271 1.00100.62 O ATOM 1097 HH TYR A 114 15.456 10.739 120.447 1.00 0.00 H ATOM 1098 H TYR A 114 12.356 15.941 120.541 1.00 0.00 H ATOM 1099 N GLY A 115 12.556 15.729 117.687 1.00 38.56 N ATOM 1100 CA GLY A 115 12.542 15.049 116.404 1.00 32.85 C ATOM 1101 C GLY A 115 11.789 13.775 116.601 1.00 33.07 C ATOM 1102 O GLY A 115 11.203 13.575 117.653 1.00 33.44 O ATOM 1103 H GLY A 115 11.949 15.387 118.459 1.00 0.00 H ATOM 1104 N THR A 116 11.808 12.909 115.608 1.00 31.83 N ATOM 1105 CA THR A 116 11.196 11.615 115.693 1.00 33.42 C ATOM 1106 C THR A 116 12.299 10.554 115.881 1.00 36.11 C ATOM 1107 O THR A 116 13.329 10.599 115.201 1.00 38.61 O ATOM 1108 CB THR A 116 10.359 11.405 114.433 1.00 38.03 C ATOM 1109 OG1 THR A 116 9.318 12.398 114.439 1.00 43.94 O ATOM 1110 CG2 THR A 116 9.724 9.999 114.378 1.00 40.92 C ATOM 1111 HG1 THR A 116 9.725 13.301 114.440 1.00 0.00 H ATOM 1112 H THR A 116 12.288 13.176 114.724 1.00 0.00 H ATOM 1113 N GLU A 117 12.106 9.629 116.819 1.00 33.79 N ATOM 1114 CA GLU A 117 13.174 8.707 117.264 1.00 35.70 C ATOM 1115 C GLU A 117 12.728 7.282 117.142 1.00 32.29 C ATOM 1116 O GLU A 117 11.651 6.949 117.620 1.00 32.76 O ATOM 1117 CB GLU A 117 13.558 8.954 118.730 1.00 39.56 C ATOM 1118 CG GLU A 117 14.822 8.190 119.157 1.00 48.09 C ATOM 1119 CD GLU A 117 15.016 8.008 120.669 1.00 55.97 C ATOM 1120 OE1 GLU A 117 14.053 8.177 121.477 1.00 69.06 O ATOM 1121 OE2 GLU A 117 16.161 7.646 121.051 1.00 53.04 O ATOM 1122 H GLU A 117 11.166 9.551 117.257 1.00 0.00 H ATOM 1123 N ALA A 118 13.549 6.424 116.539 1.00 32.52 N ATOM 1124 CA ALA A 118 13.353 4.964 116.622 1.00 31.57 C ATOM 1125 C ALA A 118 14.621 4.374 117.227 1.00 35.67 C ATOM 1126 O ALA A 118 15.609 5.098 117.425 1.00 33.93 O ATOM 1127 CB ALA A 118 13.060 4.359 115.282 1.00 31.13 C ATOM 1128 H ALA A 118 14.353 6.794 115.993 1.00 0.00 H ATOM 1129 N VAL A 119 14.576 3.088 117.593 1.00 36.60 N ATOM 1130 CA VAL A 119 15.703 2.428 118.284 1.00 32.69 C ATOM 1131 C VAL A 119 15.833 1.035 117.711 1.00 33.92 C ATOM 1132 O VAL A 119 14.848 0.307 117.699 1.00 33.23 O ATOM 1133 CB VAL A 119 15.522 2.358 119.797 1.00 30.57 C ATOM 1134 CG1 VAL A 119 16.727 1.660 120.423 1.00 32.18 C ATOM 1135 CG2 VAL A 119 15.297 3.746 120.421 1.00 29.90 C ATOM 1136 H VAL A 119 13.720 2.535 117.384 1.00 0.00 H ATOM 1137 N PHE A 120 16.989 0.709 117.116 1.00 33.88 N ATOM 1138 CA PHE A 120 17.217 -0.658 116.571 1.00 32.78 C ATOM 1139 C PHE A 120 18.412 -1.311 117.261 1.00 32.66 C ATOM 1140 O PHE A 120 19.111 -0.684 118.087 1.00 33.25 O ATOM 1141 CB PHE A 120 17.318 -0.697 115.036 1.00 31.06 C ATOM 1142 CG PHE A 120 18.518 -0.001 114.483 1.00 33.03 C ATOM 1143 CD1 PHE A 120 19.685 -0.708 114.204 1.00 33.69 C ATOM 1144 CD2 PHE A 120 18.485 1.362 114.228 1.00 34.99 C ATOM 1145 CE1 PHE A 120 20.805 -0.067 113.714 1.00 36.37 C ATOM 1146 CE2 PHE A 120 19.607 2.019 113.727 1.00 38.71 C ATOM 1147 CZ PHE A 120 20.774 1.298 113.476 1.00 36.89 C ATOM 1148 H PHE A 120 17.740 1.424 117.033 1.00 0.00 H ATOM 1149 N ARG A 121 18.610 -2.589 116.957 1.00 32.49 N ATOM 1150 CA ARG A 121 19.730 -3.330 117.501 1.00 35.42 C ATOM 1151 C ARG A 121 20.510 -3.959 116.351 1.00 33.45 C ATOM 1152 O ARG A 121 19.952 -4.262 115.314 1.00 30.38 O ATOM 1153 CB ARG A 121 19.278 -4.348 118.567 1.00 39.03 C ATOM 1154 CG ARG A 121 18.090 -5.216 118.173 1.00 47.56 C ATOM 1155 CD ARG A 121 18.102 -6.629 118.775 1.00 53.13 C ATOM 1156 NE ARG A 121 19.023 -7.514 118.036 1.00 58.52 N ATOM 1157 CZ ARG A 121 19.682 -8.583 118.531 1.00 60.36 C ATOM 1158 NH1 ARG A 121 19.545 -9.000 119.804 1.00 55.42 N ATOM 1159 NH2 ARG A 121 20.523 -9.247 117.730 1.00 58.96 N ATOM 1160 HE ARG A 121 19.180 -7.292 117.032 1.00 0.00 H ATOM 1161 HH12 ARG A 121 20.075 -9.830 120.139 1.00 0.00 H ATOM 1162 HH11 ARG A 121 18.910 -8.492 120.452 1.00 0.00 H ATOM 1163 HH22 ARG A 121 21.041 -10.074 118.091 1.00 0.00 H ATOM 1164 HH21 ARG A 121 20.659 -8.937 116.747 1.00 0.00 H ATOM 1165 H ARG A 121 17.947 -3.068 116.315 1.00 0.00 H ATOM 1166 N ASP A 122 21.824 -4.078 116.507 1.00 35.60 N ATOM 1167 CA ASP A 122 22.646 -4.853 115.552 1.00 37.65 C ATOM 1168 C ASP A 122 22.553 -6.362 115.892 1.00 39.24 C ATOM 1169 O ASP A 122 21.775 -6.761 116.774 1.00 36.25 O ATOM 1170 CB ASP A 122 24.099 -4.315 115.491 1.00 38.79 C ATOM 1171 CG ASP A 122 24.929 -4.566 116.790 1.00 40.19 C ATOM 1172 OD1 ASP A 122 24.423 -5.187 117.768 1.00 36.83 O ATOM 1173 OD2 ASP A 122 26.113 -4.109 116.816 1.00 35.03 O ATOM 1174 H ASP A 122 22.284 -3.617 117.317 1.00 0.00 H ATOM 1175 N ASP A 123 23.314 -7.184 115.179 1.00 45.54 N ATOM 1176 CA ASP A 123 23.324 -8.657 115.369 1.00 43.60 C ATOM 1177 C ASP A 123 23.879 -9.105 116.727 1.00 43.56 C ATOM 1178 O ASP A 123 23.505 -10.143 117.217 1.00 44.78 O ATOM 1179 CB ASP A 123 24.099 -9.338 114.252 1.00 47.43 C ATOM 1180 CG ASP A 123 25.560 -8.888 114.203 1.00 56.89 C ATOM 1181 OD1 ASP A 123 25.809 -7.660 114.244 1.00 60.56 O ATOM 1182 OD2 ASP A 123 26.460 -9.747 114.142 1.00 65.16 O ATOM 1183 H ASP A 123 23.934 -6.776 114.451 1.00 0.00 H ATOM 1184 N SER A 124 24.769 -8.335 117.336 1.00 41.65 N ATOM 1185 CA SER A 124 25.185 -8.607 118.718 1.00 39.15 C ATOM 1186 C SER A 124 24.147 -8.253 119.773 1.00 34.94 C ATOM 1187 O SER A 124 24.113 -8.878 120.818 1.00 38.80 O ATOM 1188 CB SER A 124 26.473 -7.830 119.050 1.00 40.15 C ATOM 1189 OG SER A 124 27.579 -8.338 118.316 1.00 40.55 O ATOM 1190 HG SER A 124 27.397 -8.253 117.347 1.00 0.00 H ATOM 1191 H SER A 124 25.179 -7.526 116.828 1.00 0.00 H ATOM 1192 N GLY A 125 23.359 -7.206 119.536 1.00 32.57 N ATOM 1193 CA GLY A 125 22.467 -6.641 120.556 1.00 32.40 C ATOM 1194 C GLY A 125 22.742 -5.207 120.952 1.00 30.32 C ATOM 1195 O GLY A 125 21.969 -4.617 121.666 1.00 28.74 O ATOM 1196 H GLY A 125 23.376 -6.772 118.591 1.00 0.00 H ATOM 1197 N ASN A 126 23.821 -4.609 120.457 1.00 29.17 N ATOM 1198 CA ASN A 126 24.037 -3.192 120.713 1.00 28.23 C ATOM 1199 C ASN A 126 22.893 -2.397 120.046 1.00 26.94 C ATOM 1200 O ASN A 126 22.351 -2.793 119.015 1.00 26.53 O ATOM 1201 CB ASN A 126 25.374 -2.742 120.136 1.00 31.49 C ATOM 1202 CG ASN A 126 26.533 -3.608 120.578 1.00 29.70 C ATOM 1203 OD1 ASN A 126 27.156 -4.279 119.771 1.00 30.04 O ATOM 1204 ND2 ASN A 126 26.779 -3.633 121.852 1.00 29.46 N ATOM 1205 HD22 ASN A 126 26.221 -3.043 122.501 1.00 0.00 H ATOM 1206 HD21 ASN A 126 27.535 -4.243 122.224 1.00 0.00 H ATOM 1207 H ASN A 126 24.506 -5.149 119.891 1.00 0.00 H ATOM 1208 N TRP A 127 22.519 -1.277 120.621 1.00 26.37 N ATOM 1209 CA TRP A 127 21.410 -0.493 120.047 1.00 27.80 C ATOM 1210 C TRP A 127 21.835 0.898 119.538 1.00 25.13 C ATOM 1211 O TRP A 127 22.766 1.499 120.048 1.00 24.96 O ATOM 1212 CB TRP A 127 20.230 -0.401 121.039 1.00 26.26 C ATOM 1213 CG TRP A 127 20.528 0.260 122.290 1.00 25.57 C ATOM 1214 CD1 TRP A 127 20.962 -0.336 123.396 1.00 28.95 C ATOM 1215 CD2 TRP A 127 20.437 1.649 122.587 1.00 29.91 C ATOM 1216 NE1 TRP A 127 21.173 0.580 124.404 1.00 31.64 N ATOM 1217 CE2 TRP A 127 20.853 1.815 123.938 1.00 31.74 C ATOM 1218 CE3 TRP A 127 20.052 2.785 121.850 1.00 33.94 C ATOM 1219 CZ2 TRP A 127 20.902 3.055 124.578 1.00 34.02 C ATOM 1220 CZ3 TRP A 127 20.084 4.042 122.487 1.00 33.91 C ATOM 1221 CH2 TRP A 127 20.512 4.161 123.848 1.00 36.21 C ATOM 1222 HE1 TRP A 127 21.519 0.362 125.360 1.00 0.00 H ATOM 1223 H TRP A 127 23.004 -0.944 121.479 1.00 0.00 H ATOM 1224 N PHE A 128 21.137 1.357 118.519 1.00 25.71 N ATOM 1225 CA PHE A 128 21.290 2.709 117.951 1.00 27.30 C ATOM 1226 C PHE A 128 19.952 3.466 118.029 1.00 27.23 C ATOM 1227 O PHE A 128 18.924 2.896 117.669 1.00 27.77 O ATOM 1228 CB PHE A 128 21.631 2.607 116.461 1.00 27.78 C ATOM 1229 CG PHE A 128 23.016 2.170 116.196 1.00 29.94 C ATOM 1230 CD1 PHE A 128 24.014 3.104 115.948 1.00 31.47 C ATOM 1231 CD2 PHE A 128 23.342 0.832 116.238 1.00 30.34 C ATOM 1232 CE1 PHE A 128 25.336 2.696 115.743 1.00 35.03 C ATOM 1233 CE2 PHE A 128 24.656 0.427 116.062 1.00 34.12 C ATOM 1234 CZ PHE A 128 25.657 1.355 115.795 1.00 32.65 C ATOM 1235 H PHE A 128 20.433 0.725 118.088 1.00 0.00 H ATOM 1236 N SER A 129 19.983 4.735 118.437 1.00 26.83 N ATOM 1237 CA SER A 129 18.911 5.698 118.098 1.00 28.75 C ATOM 1238 C SER A 129 18.986 6.094 116.625 1.00 29.54 C ATOM 1239 O SER A 129 20.043 6.336 116.106 1.00 30.46 O ATOM 1240 CB SER A 129 18.965 6.976 118.941 1.00 28.98 C ATOM 1241 OG SER A 129 18.522 6.727 120.247 1.00 31.59 O ATOM 1242 HG SER A 129 17.588 6.400 120.221 1.00 0.00 H ATOM 1243 H SER A 129 20.787 5.059 119.012 1.00 0.00 H ATOM 1244 N LEU A 130 17.835 6.111 115.974 1.00 29.90 N ATOM 1245 CA LEU A 130 17.633 6.623 114.652 1.00 33.17 C ATOM 1246 C LEU A 130 16.710 7.870 114.805 1.00 34.19 C ATOM 1247 O LEU A 130 15.607 7.785 115.325 1.00 36.68 O ATOM 1248 CB LEU A 130 16.996 5.503 113.818 1.00 33.85 C ATOM 1249 CG LEU A 130 16.842 5.727 112.333 1.00 36.65 C ATOM 1250 CD1 LEU A 130 18.201 5.660 111.666 1.00 37.63 C ATOM 1251 CD2 LEU A 130 15.892 4.709 111.691 1.00 39.93 C ATOM 1252 H LEU A 130 17.006 5.719 116.464 1.00 0.00 H ATOM 1253 N THR A 131 17.193 9.029 114.393 1.00 35.73 N ATOM 1254 CA THR A 131 16.565 10.307 114.672 1.00 35.12 C ATOM 1255 C THR A 131 16.433 11.142 113.374 1.00 35.97 C ATOM 1256 O THR A 131 17.216 10.967 112.422 1.00 32.72 O ATOM 1257 CB THR A 131 17.321 11.062 115.781 1.00 40.11 C ATOM 1258 OG1 THR A 131 16.575 12.202 116.201 1.00 49.64 O ATOM 1259 CG2 THR A 131 18.665 11.582 115.313 1.00 47.27 C ATOM 1260 HG1 THR A 131 17.073 12.677 116.913 1.00 0.00 H ATOM 1261 H THR A 131 18.072 9.025 113.838 1.00 0.00 H ATOM 1262 N ASP A 132 15.414 12.006 113.329 1.00 34.46 N ATOM 1263 CA ASP A 132 15.282 13.035 112.267 1.00 37.72 C ATOM 1264 C ASP A 132 14.771 14.339 112.880 1.00 36.12 C ATOM 1265 O ASP A 132 14.634 14.426 114.082 1.00 40.15 O ATOM 1266 CB ASP A 132 14.387 12.557 111.115 1.00 37.25 C ATOM 1267 CG ASP A 132 12.895 12.399 111.526 1.00 38.73 C ATOM 1268 OD1 ASP A 132 12.474 13.013 112.514 1.00 34.48 O ATOM 1269 OD2 ASP A 132 12.158 11.633 110.869 1.00 37.98 O ATOM 1270 H ASP A 132 14.684 11.955 114.068 1.00 0.00 H ATOM 1271 N ALA A 133 14.542 15.358 112.067 1.00 36.35 N ATOM 1272 CA ALA A 133 14.045 16.652 112.582 1.00 39.05 C ATOM 1273 C ALA A 133 12.584 16.931 112.160 1.00 38.02 C ATOM 1274 O ALA A 133 12.226 18.080 111.969 1.00 36.42 O ATOM 1275 CB ALA A 133 14.972 17.796 112.160 1.00 36.28 C ATOM 1276 H ALA A 133 14.715 15.247 111.048 1.00 0.00 H ATOM 1277 N ARG A 134 11.769 15.872 112.073 1.00 35.19 N ATOM 1278 CA ARG A 134 10.358 15.931 111.737 1.00 35.06 C ATOM 1279 C ARG A 134 9.462 15.792 112.968 1.00 35.57 C ATOM 1280 O ARG A 134 9.874 15.187 113.967 1.00 33.46 O ATOM 1281 CB ARG A 134 10.031 14.837 110.749 1.00 35.41 C ATOM 1282 CG ARG A 134 10.813 14.966 109.474 1.00 36.92 C ATOM 1283 CD ARG A 134 10.414 13.846 108.564 1.00 41.67 C ATOM 1284 NE ARG A 134 11.102 13.922 107.282 1.00 49.75 N ATOM 1285 CZ ARG A 134 10.823 14.787 106.298 1.00 52.65 C ATOM 1286 NH1 ARG A 134 9.853 15.685 106.419 1.00 54.64 N ATOM 1287 NH2 ARG A 134 11.533 14.755 105.171 1.00 54.95 N ATOM 1288 HE ARG A 134 11.876 13.247 107.117 1.00 0.00 H ATOM 1289 HH12 ARG A 134 9.656 16.346 105.640 1.00 0.00 H ATOM 1290 HH11 ARG A 134 9.290 15.728 107.292 1.00 0.00 H ATOM 1291 HH22 ARG A 134 11.321 15.424 104.404 1.00 0.00 H ATOM 1292 HH21 ARG A 134 12.299 14.061 105.059 1.00 0.00 H ATOM 1293 H ARG A 134 12.179 14.935 112.261 1.00 0.00 H ATOM 1294 N GLY A 135 8.237 16.331 112.878 1.00 34.02 N ATOM 1295 CA GLY A 135 7.300 16.397 114.014 1.00 38.94 C ATOM 1296 C GLY A 135 6.031 15.542 114.029 1.00 43.99 C ATOM 1297 O GLY A 135 5.608 14.964 113.014 1.00 50.40 O ATOM 1298 H GLY A 135 7.934 16.721 111.963 1.00 0.00 H TER 1299 GLY A 135 ATOM 1300 N SER F 2 20.815 8.063 103.169 1.00 53.67 N ATOM 1301 CA SER F 2 22.010 8.879 103.563 1.00 55.96 C ATOM 1302 C SER F 2 22.125 9.003 105.099 1.00 47.84 C ATOM 1303 O SER F 2 22.208 10.100 105.648 1.00 44.82 O ATOM 1304 CB SER F 2 22.012 10.292 102.887 1.00 55.54 C ATOM 1305 OG SER F 2 20.929 11.134 103.255 1.00 51.09 O ATOM 1306 HG SER F 2 20.949 11.286 104.233 1.00 0.00 H ATOM 1307 HN3 SER F 2 19.952 8.518 103.530 1.00 0.00 H ATOM 1308 HN2 SER F 2 20.900 7.108 103.573 1.00 0.00 H ATOM 1309 HN1 SER F 2 20.767 7.999 102.132 1.00 0.00 H ATOM 1310 N ALA F 3 22.121 7.867 105.782 1.00 43.17 N ATOM 1311 CA ALA F 3 22.318 7.836 107.245 1.00 38.74 C ATOM 1312 C ALA F 3 23.741 8.308 107.647 1.00 34.80 C ATOM 1313 O ALA F 3 24.717 7.992 106.986 1.00 37.25 O ATOM 1314 CB ALA F 3 22.049 6.442 107.770 1.00 37.44 C ATOM 1315 H ALA F 3 21.975 6.972 105.273 1.00 0.00 H ATOM 1316 N ARG F 4 23.841 9.099 108.693 1.00 32.35 N ATOM 1317 CA ARG F 4 25.124 9.439 109.239 1.00 36.02 C ATOM 1318 C ARG F 4 25.123 9.440 110.782 1.00 31.34 C ATOM 1319 O ARG F 4 24.100 9.648 111.404 1.00 27.00 O ATOM 1320 CB ARG F 4 25.597 10.780 108.683 1.00 47.12 C ATOM 1321 CG ARG F 4 24.732 11.991 108.989 1.00 57.02 C ATOM 1322 CD ARG F 4 25.569 13.276 109.123 1.00 69.73 C ATOM 1323 NE ARG F 4 26.599 13.371 108.074 1.00 79.00 N ATOM 1324 CZ ARG F 4 27.661 14.186 108.086 1.00 76.23 C ATOM 1325 NH1 ARG F 4 27.872 15.045 109.081 1.00 75.82 N ATOM 1326 NH2 ARG F 4 28.527 14.135 107.072 1.00 72.94 N ATOM 1327 HE ARG F 4 26.491 12.748 107.248 1.00 0.00 H ATOM 1328 HH12 ARG F 4 28.706 15.666 109.064 1.00 0.00 H ATOM 1329 HH11 ARG F 4 27.203 15.095 109.876 1.00 0.00 H ATOM 1330 HH22 ARG F 4 29.357 14.761 107.065 1.00 0.00 H ATOM 1331 HH21 ARG F 4 28.372 13.469 106.288 1.00 0.00 H ATOM 1332 H ARG F 4 22.979 9.483 109.130 1.00 0.00 H ATOM 1333 N LEU F 5 26.285 9.171 111.375 1.00 26.14 N ATOM 1334 CA LEU F 5 26.444 9.140 112.780 1.00 23.84 C ATOM 1335 C LEU F 5 26.638 10.534 113.263 1.00 22.62 C ATOM 1336 O LEU F 5 27.642 11.173 112.929 1.00 22.91 O ATOM 1337 CB LEU F 5 27.668 8.317 113.151 1.00 26.21 C ATOM 1338 CG LEU F 5 27.806 8.096 114.670 1.00 26.79 C ATOM 1339 CD1 LEU F 5 26.834 7.026 115.141 1.00 25.82 C ATOM 1340 CD2 LEU F 5 29.216 7.656 114.970 1.00 29.08 C ATOM 1341 H LEU F 5 27.113 8.975 110.777 1.00 0.00 H ATOM 1342 N SER F 6 25.701 11.000 114.094 1.00 20.50 N ATOM 1343 CA SER F 6 25.768 12.293 114.761 1.00 18.41 C ATOM 1344 C SER F 6 26.290 12.242 116.165 1.00 17.74 C ATOM 1345 O SER F 6 26.779 13.223 116.656 1.00 16.26 O ATOM 1346 CB SER F 6 24.356 12.909 114.828 1.00 20.21 C ATOM 1347 OG SER F 6 23.338 11.954 115.276 1.00 22.80 O ATOM 1348 HG SER F 6 23.569 11.628 116.182 1.00 0.00 H ATOM 1349 H SER F 6 24.871 10.401 114.276 1.00 0.00 H ATOM 1350 N HIS F 7 26.099 11.137 116.879 1.00 19.29 N ATOM 1351 CA HIS F 7 26.509 11.074 118.301 1.00 20.47 C ATOM 1352 C HIS F 7 26.957 9.701 118.683 1.00 17.98 C ATOM 1353 O HIS F 7 26.522 8.711 118.126 1.00 17.01 O ATOM 1354 CB HIS F 7 25.380 11.339 119.269 1.00 22.81 C ATOM 1355 CG HIS F 7 24.628 12.596 119.035 1.00 24.28 C ATOM 1356 ND1 HIS F 7 23.661 12.710 118.059 1.00 25.92 N ATOM 1357 CD2 HIS F 7 24.651 13.770 119.696 1.00 23.79 C ATOM 1358 CE1 HIS F 7 23.136 13.915 118.125 1.00 24.86 C ATOM 1359 NE2 HIS F 7 23.746 14.581 119.088 1.00 23.96 N ATOM 1360 H HIS F 7 25.657 10.307 116.434 1.00 0.00 H ATOM 1361 N VAL F 8 27.829 9.700 119.656 1.00 16.33 N ATOM 1362 CA VAL F 8 28.393 8.538 120.202 1.00 18.31 C ATOM 1363 C VAL F 8 28.042 8.558 121.698 1.00 17.21 C ATOM 1364 O VAL F 8 28.273 9.549 122.358 1.00 15.76 O ATOM 1365 CB VAL F 8 29.911 8.598 120.056 1.00 20.19 C ATOM 1366 CG1 VAL F 8 30.562 7.391 120.728 1.00 20.86 C ATOM 1367 CG2 VAL F 8 30.256 8.675 118.553 1.00 22.80 C ATOM 1368 H VAL F 8 28.123 10.617 120.049 1.00 0.00 H ATOM 1369 N THR F 9 27.546 7.442 122.203 1.00 17.74 N ATOM 1370 CA THR F 9 27.115 7.298 123.594 1.00 20.58 C ATOM 1371 C THR F 9 28.300 6.913 124.431 1.00 19.99 C ATOM 1372 O THR F 9 29.046 5.992 124.080 1.00 22.21 O ATOM 1373 CB THR F 9 26.058 6.199 123.700 1.00 21.96 C ATOM 1374 OG1 THR F 9 24.995 6.504 122.815 1.00 23.34 O ATOM 1375 CG2 THR F 9 25.467 6.113 125.068 1.00 24.34 C ATOM 1376 HG1 THR F 9 24.304 5.798 122.876 1.00 0.00 H ATOM 1377 H THR F 9 27.457 6.618 121.575 1.00 0.00 H ATOM 1378 N VAL F 10 28.506 7.691 125.476 1.00 18.15 N ATOM 1379 CA VAL F 10 29.561 7.487 126.461 1.00 18.04 C ATOM 1380 C VAL F 10 28.824 7.263 127.818 1.00 18.34 C ATOM 1381 O VAL F 10 28.154 8.159 128.292 1.00 15.99 O ATOM 1382 CB VAL F 10 30.470 8.718 126.598 1.00 17.11 C ATOM 1383 CG1 VAL F 10 31.542 8.481 127.626 1.00 16.45 C ATOM 1384 CG2 VAL F 10 31.079 9.136 125.226 1.00 18.50 C ATOM 1385 H VAL F 10 27.873 8.506 125.606 1.00 0.00 H ATOM 1386 N PRO F 11 28.915 6.061 128.410 1.00 20.86 N ATOM 1387 CA PRO F 11 28.322 5.835 129.786 1.00 20.34 C ATOM 1388 C PRO F 11 29.183 6.489 130.837 1.00 19.49 C ATOM 1389 O PRO F 11 30.363 6.201 130.899 1.00 22.16 O ATOM 1390 CB PRO F 11 28.362 4.306 129.945 1.00 20.83 C ATOM 1391 CG PRO F 11 29.536 3.926 129.077 1.00 23.57 C ATOM 1392 CD PRO F 11 29.463 4.805 127.853 1.00 20.99 C ATOM 1393 N VAL F 12 28.626 7.418 131.595 1.00 19.57 N ATOM 1394 CA VAL F 12 29.353 8.098 132.647 1.00 22.08 C ATOM 1395 C VAL F 12 28.725 7.771 134.036 1.00 24.86 C ATOM 1396 O VAL F 12 27.580 7.436 134.122 1.00 21.60 O ATOM 1397 CB VAL F 12 29.364 9.628 132.429 1.00 22.91 C ATOM 1398 CG1 VAL F 12 30.010 9.979 131.074 1.00 24.15 C ATOM 1399 CG2 VAL F 12 27.958 10.238 132.542 1.00 22.70 C ATOM 1400 H VAL F 12 27.630 7.669 131.430 1.00 0.00 H ATOM 1401 N LEU F 13 29.510 7.917 135.087 1.00 28.64 N ATOM 1402 CA LEU F 13 29.082 7.590 136.423 1.00 31.62 C ATOM 1403 C LEU F 13 28.359 8.754 137.044 1.00 33.85 C ATOM 1404 O LEU F 13 27.342 8.523 137.682 1.00 36.43 O ATOM 1405 CB LEU F 13 30.265 7.182 137.287 1.00 32.53 C ATOM 1406 CG LEU F 13 30.957 5.896 136.860 1.00 32.96 C ATOM 1407 CD1 LEU F 13 32.150 5.643 137.771 1.00 33.93 C ATOM 1408 CD2 LEU F 13 30.019 4.706 136.846 1.00 34.22 C ATOM 1409 H LEU F 13 30.474 8.282 134.945 1.00 0.00 H ATOM 1410 N ASP F 14 28.827 9.984 136.793 1.00 32.98 N ATOM 1411 CA ASP F 14 28.186 11.238 137.251 1.00 31.68 C ATOM 1412 C ASP F 14 28.272 12.364 136.137 1.00 29.23 C ATOM 1413 O ASP F 14 29.356 12.784 135.758 1.00 28.91 O ATOM 1414 CB ASP F 14 28.871 11.661 138.571 1.00 35.55 C ATOM 1415 CG ASP F 14 28.579 13.140 139.003 1.00 44.11 C ATOM 1416 OD1 ASP F 14 29.075 13.561 140.080 1.00 55.36 O ATOM 1417 OD2 ASP F 14 27.891 13.911 138.297 1.00 52.00 O ATOM 1418 H ASP F 14 29.702 10.064 136.237 1.00 0.00 H ATOM 1419 N GLN F 15 27.133 12.861 135.677 1.00 23.94 N ATOM 1420 CA GLN F 15 27.067 13.840 134.632 1.00 23.86 C ATOM 1421 C GLN F 15 27.732 15.172 134.934 1.00 24.98 C ATOM 1422 O GLN F 15 28.393 15.708 134.079 1.00 28.69 O ATOM 1423 CB GLN F 15 25.621 14.057 134.183 1.00 22.84 C ATOM 1424 CG GLN F 15 25.108 12.890 133.343 1.00 23.15 C ATOM 1425 CD GLN F 15 23.687 13.050 132.929 1.00 22.80 C ATOM 1426 OE1 GLN F 15 22.841 13.302 133.759 1.00 26.33 O ATOM 1427 NE2 GLN F 15 23.395 12.867 131.653 1.00 23.83 N ATOM 1428 HE22 GLN F 15 24.151 12.652 130.972 1.00 0.00 H ATOM 1429 HE21 GLN F 15 22.409 12.938 131.330 1.00 0.00 H ATOM 1430 H GLN F 15 26.242 12.524 136.095 1.00 0.00 H ATOM 1431 N ASP F 16 27.559 15.720 136.111 1.00 25.02 N ATOM 1432 CA ASP F 16 28.268 16.922 136.482 1.00 29.16 C ATOM 1433 C ASP F 16 29.811 16.760 136.447 1.00 26.83 C ATOM 1434 O ASP F 16 30.530 17.644 136.028 1.00 28.14 O ATOM 1435 CB ASP F 16 27.849 17.373 137.905 1.00 32.53 C ATOM 1436 CG ASP F 16 26.383 17.844 137.989 1.00 38.29 C ATOM 1437 OD1 ASP F 16 25.783 18.219 136.925 1.00 34.84 O ATOM 1438 OD2 ASP F 16 25.846 17.841 139.156 1.00 46.23 O ATOM 1439 H ASP F 16 26.902 15.283 136.788 1.00 0.00 H ATOM 1440 N SER F 17 30.290 15.641 136.944 1.00 27.58 N ATOM 1441 CA SER F 17 31.687 15.323 136.952 1.00 29.00 C ATOM 1442 C SER F 17 32.219 15.164 135.481 1.00 26.43 C ATOM 1443 O SER F 17 33.192 15.761 135.123 1.00 27.40 O ATOM 1444 CB SER F 17 31.879 14.057 137.753 1.00 30.59 C ATOM 1445 OG SER F 17 33.232 13.683 137.759 1.00 38.94 O ATOM 1446 HG SER F 17 33.534 13.526 136.829 1.00 0.00 H ATOM 1447 H SER F 17 29.623 14.954 137.351 1.00 0.00 H ATOM 1448 N ALA F 18 31.523 14.412 134.652 1.00 25.24 N ATOM 1449 CA ALA F 18 31.856 14.246 133.239 1.00 25.56 C ATOM 1450 C ALA F 18 31.856 15.577 132.528 1.00 26.69 C ATOM 1451 O ALA F 18 32.832 15.887 131.841 1.00 22.86 O ATOM 1452 CB ALA F 18 30.894 13.292 132.561 1.00 25.43 C ATOM 1453 H ALA F 18 30.692 13.910 135.024 1.00 0.00 H ATOM 1454 N LYS F 19 30.806 16.385 132.724 1.00 25.56 N ATOM 1455 CA LYS F 19 30.731 17.670 132.073 1.00 27.59 C ATOM 1456 C LYS F 19 31.981 18.501 132.357 1.00 29.45 C ATOM 1457 O LYS F 19 32.547 19.101 131.434 1.00 28.76 O ATOM 1458 CB LYS F 19 29.505 18.458 132.495 1.00 30.43 C ATOM 1459 CG LYS F 19 29.336 19.793 131.766 1.00 31.67 C ATOM 1460 CD LYS F 19 28.113 20.597 132.195 1.00 33.09 C ATOM 1461 CE LYS F 19 28.127 21.974 131.525 1.00 35.15 C ATOM 1462 NZ LYS F 19 26.791 22.635 131.416 1.00 37.88 N ATOM 1463 HZ1 LYS F 19 26.154 22.035 130.854 1.00 0.00 H ATOM 1464 HZ2 LYS F 19 26.393 22.769 132.368 1.00 0.00 H ATOM 1465 HZ3 LYS F 19 26.900 23.559 130.951 1.00 0.00 H ATOM 1466 H LYS F 19 30.035 16.082 133.353 1.00 0.00 H ATOM 1467 N GLU F 20 32.398 18.532 133.613 1.00 30.22 N ATOM 1468 CA GLU F 20 33.629 19.213 134.017 1.00 33.19 C ATOM 1469 C GLU F 20 34.912 18.620 133.364 1.00 27.61 C ATOM 1470 O GLU F 20 35.767 19.355 132.898 1.00 26.20 O ATOM 1471 CB GLU F 20 33.762 19.195 135.567 1.00 38.97 C ATOM 1472 CG GLU F 20 34.992 19.909 136.174 1.00 47.17 C ATOM 1473 CD GLU F 20 34.735 21.364 136.610 1.00 55.40 C ATOM 1474 OE1 GLU F 20 34.534 21.572 137.832 1.00 66.29 O ATOM 1475 OE2 GLU F 20 34.719 22.299 135.758 1.00 55.05 O ATOM 1476 H GLU F 20 31.829 18.054 134.341 1.00 0.00 H ATOM 1477 N PHE F 21 35.057 17.304 133.382 1.00 24.81 N ATOM 1478 CA PHE F 21 36.208 16.654 132.755 1.00 23.88 C ATOM 1479 C PHE F 21 36.306 16.970 131.240 1.00 23.30 C ATOM 1480 O PHE F 21 37.329 17.438 130.755 1.00 23.01 O ATOM 1481 CB PHE F 21 36.170 15.173 132.994 1.00 23.16 C ATOM 1482 CG PHE F 21 37.333 14.464 132.404 1.00 23.51 C ATOM 1483 CD1 PHE F 21 38.500 14.335 133.119 1.00 24.93 C ATOM 1484 CD2 PHE F 21 37.286 14.008 131.085 1.00 24.19 C ATOM 1485 CE1 PHE F 21 39.604 13.718 132.558 1.00 24.25 C ATOM 1486 CE2 PHE F 21 38.382 13.394 130.504 1.00 24.19 C ATOM 1487 CZ PHE F 21 39.551 13.262 131.256 1.00 23.46 C ATOM 1488 H PHE F 21 34.337 16.719 133.852 1.00 0.00 H ATOM 1489 N TYR F 22 35.226 16.747 130.522 1.00 22.16 N ATOM 1490 CA TYR F 22 35.221 16.960 129.094 1.00 23.85 C ATOM 1491 C TYR F 22 35.477 18.402 128.713 1.00 24.99 C ATOM 1492 O TYR F 22 36.231 18.645 127.763 1.00 24.84 O ATOM 1493 CB TYR F 22 33.964 16.386 128.419 1.00 22.37 C ATOM 1494 CG TYR F 22 34.074 14.883 128.292 1.00 22.05 C ATOM 1495 CD1 TYR F 22 34.690 14.309 127.195 1.00 23.81 C ATOM 1496 CD2 TYR F 22 33.635 14.027 129.314 1.00 22.44 C ATOM 1497 CE1 TYR F 22 34.830 12.923 127.094 1.00 24.33 C ATOM 1498 CE2 TYR F 22 33.761 12.645 129.220 1.00 22.57 C ATOM 1499 CZ TYR F 22 34.384 12.098 128.132 1.00 23.19 C ATOM 1500 OH TYR F 22 34.518 10.741 128.054 1.00 21.80 O ATOM 1501 HH TYR F 22 35.043 10.417 128.828 1.00 0.00 H ATOM 1502 H TYR F 22 34.361 16.411 130.991 1.00 0.00 H ATOM 1503 N THR F 23 34.910 19.355 129.444 1.00 24.92 N ATOM 1504 CA THR F 23 35.062 20.755 129.065 1.00 27.05 C ATOM 1505 C THR F 23 36.334 21.384 129.636 1.00 28.55 C ATOM 1506 O THR F 23 37.059 22.020 128.900 1.00 35.84 O ATOM 1507 CB THR F 23 33.794 21.599 129.360 1.00 28.20 C ATOM 1508 OG1 THR F 23 33.553 21.663 130.768 1.00 26.73 O ATOM 1509 CG2 THR F 23 32.607 21.007 128.631 1.00 26.26 C ATOM 1510 HG1 THR F 23 33.421 20.748 131.121 1.00 0.00 H ATOM 1511 H THR F 23 34.357 19.102 130.288 1.00 0.00 H ATOM 1512 N GLU F 24 36.647 21.184 130.899 1.00 29.13 N ATOM 1513 CA GLU F 24 37.818 21.846 131.479 1.00 34.25 C ATOM 1514 C GLU F 24 39.139 21.092 131.196 1.00 32.39 C ATOM 1515 O GLU F 24 40.135 21.714 130.919 1.00 30.99 O ATOM 1516 CB GLU F 24 37.636 22.140 132.990 1.00 39.37 C ATOM 1517 CG GLU F 24 36.572 23.209 133.342 1.00 46.48 C ATOM 1518 CD GLU F 24 36.832 24.617 132.734 1.00 61.90 C ATOM 1519 OE1 GLU F 24 37.940 25.191 132.975 1.00 63.15 O ATOM 1520 OE2 GLU F 24 35.930 25.158 132.018 1.00 63.19 O ATOM 1521 H GLU F 24 36.062 20.555 131.486 1.00 0.00 H ATOM 1522 N LYS F 25 39.129 19.766 131.230 1.00 30.67 N ATOM 1523 CA LYS F 25 40.349 19.010 131.036 1.00 28.45 C ATOM 1524 C LYS F 25 40.624 18.737 129.581 1.00 27.45 C ATOM 1525 O LYS F 25 41.747 18.974 129.155 1.00 25.73 O ATOM 1526 CB LYS F 25 40.345 17.738 131.852 1.00 33.14 C ATOM 1527 CG LYS F 25 40.470 18.037 133.358 1.00 35.16 C ATOM 1528 CD LYS F 25 40.599 16.762 134.178 1.00 39.49 C ATOM 1529 CE LYS F 25 41.125 16.985 135.590 1.00 40.65 C ATOM 1530 NZ LYS F 25 40.364 18.078 136.221 1.00 47.02 N ATOM 1531 HZ1 LYS F 25 40.480 18.947 135.662 1.00 0.00 H ATOM 1532 HZ2 LYS F 25 39.357 17.821 136.259 1.00 0.00 H ATOM 1533 HZ3 LYS F 25 40.719 18.234 137.186 1.00 0.00 H ATOM 1534 H LYS F 25 38.234 19.263 131.398 1.00 0.00 H ATOM 1535 N LEU F 26 39.628 18.313 128.797 1.00 23.41 N ATOM 1536 CA LEU F 26 39.877 18.077 127.398 1.00 21.66 C ATOM 1537 C LEU F 26 39.645 19.303 126.529 1.00 21.61 C ATOM 1538 O LEU F 26 39.833 19.229 125.331 1.00 24.18 O ATOM 1539 CB LEU F 26 39.036 16.943 126.890 1.00 19.81 C ATOM 1540 CG LEU F 26 39.081 15.617 127.638 1.00 21.16 C ATOM 1541 CD1 LEU F 26 38.297 14.577 126.824 1.00 21.48 C ATOM 1542 CD2 LEU F 26 40.495 15.134 127.848 1.00 21.36 C ATOM 1543 H LEU F 26 38.680 18.155 129.194 1.00 0.00 H ATOM 1544 N GLY F 27 39.119 20.389 127.072 1.00 22.48 N ATOM 1545 CA GLY F 27 38.831 21.588 126.227 1.00 20.21 C ATOM 1546 C GLY F 27 37.686 21.388 125.242 1.00 21.38 C ATOM 1547 O GLY F 27 37.503 22.202 124.312 1.00 21.97 O ATOM 1548 H GLY F 27 38.905 20.408 128.090 1.00 0.00 H ATOM 1549 N PHE F 28 36.898 20.332 125.383 1.00 19.56 N ATOM 1550 CA PHE F 28 35.726 20.231 124.531 1.00 22.17 C ATOM 1551 C PHE F 28 34.697 21.294 124.931 1.00 23.36 C ATOM 1552 O PHE F 28 34.800 21.915 125.997 1.00 24.07 O ATOM 1553 CB PHE F 28 35.097 18.840 124.585 1.00 23.09 C ATOM 1554 CG PHE F 28 35.966 17.714 124.030 1.00 23.44 C ATOM 1555 CD1 PHE F 28 37.200 17.939 123.439 1.00 25.48 C ATOM 1556 CD2 PHE F 28 35.504 16.413 124.096 1.00 24.10 C ATOM 1557 CE1 PHE F 28 37.973 16.886 122.963 1.00 24.85 C ATOM 1558 CE2 PHE F 28 36.239 15.379 123.600 1.00 26.30 C ATOM 1559 CZ PHE F 28 37.477 15.618 123.027 1.00 27.48 C ATOM 1560 H PHE F 28 37.113 19.595 126.085 1.00 0.00 H ATOM 1561 N GLU F 29 33.749 21.548 124.059 1.00 24.38 N ATOM 1562 CA GLU F 29 32.683 22.495 124.378 1.00 28.36 C ATOM 1563 C GLU F 29 31.362 21.787 124.512 1.00 25.57 C ATOM 1564 O GLU F 29 31.131 20.714 123.914 1.00 20.35 O ATOM 1565 CB GLU F 29 32.581 23.661 123.389 1.00 34.70 C ATOM 1566 CG GLU F 29 32.565 23.344 121.914 1.00 43.54 C ATOM 1567 CD GLU F 29 32.467 24.640 121.053 1.00 65.92 C ATOM 1568 OE1 GLU F 29 32.901 25.739 121.545 1.00 72.01 O ATOM 1569 OE2 GLU F 29 31.932 24.573 119.890 1.00 66.81 O ATOM 1570 H GLU F 29 33.757 21.072 123.134 1.00 0.00 H ATOM 1571 N VAL F 30 30.517 22.405 125.331 1.00 25.85 N ATOM 1572 CA VAL F 30 29.161 21.934 125.575 1.00 27.85 C ATOM 1573 C VAL F 30 28.362 22.287 124.342 1.00 27.97 C ATOM 1574 O VAL F 30 28.309 23.444 124.004 1.00 30.49 O ATOM 1575 CB VAL F 30 28.519 22.642 126.789 1.00 30.19 C ATOM 1576 CG1 VAL F 30 27.100 22.130 127.008 1.00 31.87 C ATOM 1577 CG2 VAL F 30 29.373 22.466 128.044 1.00 31.45 C ATOM 1578 H VAL F 30 30.839 23.264 125.820 1.00 0.00 H ATOM 1579 N ARG F 31 27.804 21.289 123.668 1.00 27.26 N ATOM 1580 CA ARG F 31 26.924 21.442 122.523 1.00 29.27 C ATOM 1581 C ARG F 31 25.418 21.394 122.910 1.00 31.29 C ATOM 1582 O ARG F 31 24.572 22.028 122.249 1.00 29.67 O ATOM 1583 CB ARG F 31 27.299 20.386 121.434 1.00 34.84 C ATOM 1584 CG ARG F 31 28.378 20.940 120.452 1.00 44.82 C ATOM 1585 CD ARG F 31 28.880 19.956 119.420 1.00 52.25 C ATOM 1586 NE ARG F 31 29.873 20.505 118.500 1.00 55.57 N ATOM 1587 CZ ARG F 31 31.133 20.817 118.797 1.00 66.34 C ATOM 1588 NH1 ARG F 31 31.615 20.677 120.014 1.00 77.58 N ATOM 1589 NH2 ARG F 31 31.946 21.298 117.862 1.00 73.07 N ATOM 1590 HE ARG F 31 29.567 20.668 117.520 1.00 0.00 H ATOM 1591 HH12 ARG F 31 32.604 20.930 120.214 1.00 0.00 H ATOM 1592 HH11 ARG F 31 31.007 20.314 120.776 1.00 0.00 H ATOM 1593 HH22 ARG F 31 32.929 21.539 118.102 1.00 0.00 H ATOM 1594 HH21 ARG F 31 31.599 21.433 116.891 1.00 0.00 H ATOM 1595 H ARG F 31 28.014 20.321 123.985 1.00 0.00 H ATOM 1596 N ASN F 32 25.068 20.624 123.950 1.00 28.36 N ATOM 1597 CA ASN F 32 23.719 20.622 124.494 1.00 24.25 C ATOM 1598 C ASN F 32 23.770 20.335 125.945 1.00 26.83 C ATOM 1599 O ASN F 32 24.539 19.459 126.391 1.00 24.31 O ATOM 1600 CB ASN F 32 22.938 19.531 123.894 1.00 25.15 C ATOM 1601 CG ASN F 32 22.613 19.776 122.467 1.00 26.78 C ATOM 1602 OD1 ASN F 32 21.803 20.629 122.176 1.00 29.19 O ATOM 1603 ND2 ASN F 32 23.201 19.005 121.564 1.00 29.72 N ATOM 1604 HD22 ASN F 32 23.890 18.286 121.864 1.00 0.00 H ATOM 1605 HD21 ASN F 32 22.973 19.119 120.556 1.00 0.00 H ATOM 1606 H ASN F 32 25.785 20.007 124.382 1.00 0.00 H ATOM 1607 N ASP F 33 22.943 21.048 126.701 1.00 25.81 N ATOM 1608 CA ASP F 33 22.669 20.683 128.075 1.00 28.03 C ATOM 1609 C ASP F 33 21.216 21.071 128.456 1.00 30.11 C ATOM 1610 O ASP F 33 20.906 22.223 128.673 1.00 31.33 O ATOM 1611 CB ASP F 33 23.658 21.300 129.071 1.00 26.13 C ATOM 1612 CG ASP F 33 23.528 20.650 130.471 1.00 28.53 C ATOM 1613 OD1 ASP F 33 22.609 19.805 130.636 1.00 28.84 O ATOM 1614 OD2 ASP F 33 24.327 20.919 131.402 1.00 27.60 O ATOM 1615 H ASP F 33 22.482 21.888 126.297 1.00 0.00 H HETATM 1616 N MSE F 34 20.377 20.070 128.580 1.00 32.41 N HETATM 1617 CA MSE F 34 18.952 20.208 128.460 1.00 35.53 C HETATM 1618 C MSE F 34 18.306 18.997 129.069 1.00 31.52 C HETATM 1619 O MSE F 34 18.810 17.893 128.853 1.00 25.75 O HETATM 1620 CB MSE F 34 18.815 20.107 126.984 1.00 43.97 C HETATM 1621 CG MSE F 34 17.475 20.461 126.469 1.00 60.73 C HETATM 1622 SE MSE F 34 17.838 20.435 124.532 1.00104.55 S HETATM 1623 CE MSE F 34 16.527 21.901 124.228 1.00 92.91 C HETATM 1624 H MSE F 34 20.765 19.125 128.776 1.00 0.00 H ATOM 1625 N THR F 35 17.207 19.178 129.821 1.00 26.02 N ATOM 1626 CA THR F 35 16.522 18.055 130.409 1.00 24.92 C ATOM 1627 C THR F 35 15.082 17.956 129.882 1.00 25.87 C ATOM 1628 O THR F 35 14.397 18.961 129.727 1.00 25.94 O ATOM 1629 CB THR F 35 16.625 18.111 131.956 1.00 25.50 C ATOM 1630 OG1 THR F 35 17.999 18.176 132.393 1.00 21.40 O ATOM 1631 CG2 THR F 35 15.926 16.891 132.650 1.00 24.64 C ATOM 1632 HG1 THR F 35 18.424 18.989 132.021 1.00 0.00 H ATOM 1633 H THR F 35 16.847 20.140 129.980 1.00 0.00 H HETATM 1634 N MSE F 36 14.644 16.727 129.640 1.00 28.17 N HETATM 1635 CA MSE F 36 13.336 16.394 129.037 1.00 37.00 C HETATM 1636 C MSE F 36 12.851 15.146 129.717 1.00 31.76 C HETATM 1637 O MSE F 36 13.504 14.087 129.597 1.00 27.58 O HETATM 1638 CB MSE F 36 13.426 15.978 127.542 1.00 52.43 C HETATM 1639 CG MSE F 36 13.792 17.073 126.521 1.00 75.82 C HETATM 1640 SE MSE F 36 15.302 16.614 125.274 1.00116.91 S HETATM 1641 CE MSE F 36 15.012 18.051 123.936 1.00120.50 C HETATM 1642 H MSE F 36 15.270 15.936 129.894 1.00 0.00 H ATOM 1643 N GLY F 37 11.732 15.234 130.444 1.00 28.18 N ATOM 1644 CA GLY F 37 11.186 14.060 131.166 1.00 26.72 C ATOM 1645 C GLY F 37 12.180 13.369 132.116 1.00 26.04 C ATOM 1646 O GLY F 37 12.261 12.135 132.177 1.00 27.31 O ATOM 1647 H GLY F 37 11.234 16.145 130.504 1.00 0.00 H ATOM 1648 N GLY F 38 12.965 14.139 132.844 1.00 24.39 N ATOM 1649 CA GLY F 38 13.998 13.545 133.745 1.00 26.28 C ATOM 1650 C GLY F 38 15.343 13.112 133.126 1.00 27.83 C ATOM 1651 O GLY F 38 16.307 12.899 133.850 1.00 31.51 O ATOM 1652 H GLY F 38 12.864 15.173 132.790 1.00 0.00 H ATOM 1653 N LEU F 39 15.422 13.016 131.799 1.00 29.17 N ATOM 1654 CA LEU F 39 16.658 12.659 131.081 1.00 28.91 C ATOM 1655 C LEU F 39 17.456 13.928 130.769 1.00 23.85 C ATOM 1656 O LEU F 39 17.012 14.801 130.050 1.00 19.88 O ATOM 1657 CB LEU F 39 16.301 11.894 129.790 1.00 34.78 C ATOM 1658 CG LEU F 39 17.293 10.872 129.203 1.00 42.92 C ATOM 1659 CD1 LEU F 39 16.623 9.970 128.158 1.00 47.77 C ATOM 1660 CD2 LEU F 39 18.474 11.570 128.549 1.00 47.94 C ATOM 1661 H LEU F 39 14.565 13.203 131.240 1.00 0.00 H ATOM 1662 N ARG F 40 18.628 14.056 131.362 1.00 22.45 N ATOM 1663 CA ARG F 40 19.549 15.113 130.996 1.00 22.27 C ATOM 1664 C ARG F 40 20.301 14.716 129.687 1.00 21.81 C ATOM 1665 O ARG F 40 20.948 13.699 129.638 1.00 21.71 O ATOM 1666 CB ARG F 40 20.511 15.332 132.121 1.00 23.33 C ATOM 1667 CG ARG F 40 21.341 16.595 131.947 1.00 24.21 C ATOM 1668 CD ARG F 40 22.311 16.708 133.077 1.00 25.62 C ATOM 1669 NE ARG F 40 23.074 17.937 132.960 1.00 28.06 N ATOM 1670 CZ ARG F 40 24.053 18.288 133.773 1.00 29.06 C ATOM 1671 NH1 ARG F 40 24.406 17.518 134.809 1.00 28.74 N ATOM 1672 NH2 ARG F 40 24.662 19.437 133.554 1.00 33.18 N ATOM 1673 HE ARG F 40 22.833 18.585 132.183 1.00 0.00 H ATOM 1674 HH12 ARG F 40 25.180 17.814 135.437 1.00 0.00 H ATOM 1675 HH11 ARG F 40 23.906 16.624 134.986 1.00 0.00 H ATOM 1676 HH22 ARG F 40 25.437 19.742 134.177 1.00 0.00 H ATOM 1677 HH21 ARG F 40 24.367 20.038 132.758 1.00 0.00 H ATOM 1678 H ARG F 40 18.896 13.383 132.108 1.00 0.00 H ATOM 1679 N TRP F 41 20.068 15.475 128.618 1.00 23.06 N ATOM 1680 CA TRP F 41 20.691 15.307 127.316 1.00 23.13 C ATOM 1681 C TRP F 41 21.863 16.276 127.343 1.00 23.18 C ATOM 1682 O TRP F 41 21.693 17.479 127.179 1.00 22.37 O ATOM 1683 CB TRP F 41 19.693 15.623 126.265 1.00 23.46 C ATOM 1684 CG TRP F 41 20.180 15.453 124.850 1.00 28.11 C ATOM 1685 CD1 TRP F 41 20.331 16.445 123.908 1.00 27.64 C ATOM 1686 CD2 TRP F 41 20.520 14.238 124.193 1.00 24.94 C ATOM 1687 NE1 TRP F 41 20.730 15.916 122.736 1.00 28.07 N ATOM 1688 CE2 TRP F 41 20.885 14.570 122.880 1.00 26.17 C ATOM 1689 CE3 TRP F 41 20.557 12.911 124.588 1.00 26.19 C ATOM 1690 CZ2 TRP F 41 21.267 13.631 121.954 1.00 26.33 C ATOM 1691 CZ3 TRP F 41 20.936 11.955 123.654 1.00 28.01 C ATOM 1692 CH2 TRP F 41 21.286 12.324 122.361 1.00 27.90 C ATOM 1693 HE1 TRP F 41 20.894 16.450 121.859 1.00 0.00 H ATOM 1694 H TRP F 41 19.384 16.251 128.724 1.00 0.00 H ATOM 1695 N LEU F 42 23.025 15.733 127.710 1.00 21.37 N ATOM 1696 CA LEU F 42 24.283 16.470 127.853 1.00 21.24 C ATOM 1697 C LEU F 42 25.267 15.979 126.747 1.00 20.53 C ATOM 1698 O LEU F 42 25.677 14.796 126.728 1.00 16.80 O ATOM 1699 CB LEU F 42 24.846 16.216 129.240 1.00 22.03 C ATOM 1700 CG LEU F 42 26.213 16.715 129.531 1.00 22.08 C ATOM 1701 CD1 LEU F 42 26.217 18.203 129.348 1.00 24.30 C ATOM 1702 CD2 LEU F 42 26.623 16.364 130.929 1.00 23.14 C ATOM 1703 H LEU F 42 23.039 14.712 127.909 1.00 0.00 H ATOM 1704 N THR F 43 25.547 16.867 125.769 1.00 20.03 N ATOM 1705 CA THR F 43 26.457 16.536 124.670 1.00 19.00 C ATOM 1706 C THR F 43 27.576 17.501 124.540 1.00 19.10 C ATOM 1707 O THR F 43 27.414 18.658 124.785 1.00 16.88 O ATOM 1708 CB THR F 43 25.835 16.346 123.314 1.00 19.83 C ATOM 1709 OG1 THR F 43 25.545 17.624 122.783 1.00 23.02 O ATOM 1710 CG2 THR F 43 24.561 15.518 123.403 1.00 21.16 C ATOM 1711 HG1 THR F 43 25.134 17.523 121.888 1.00 0.00 H ATOM 1712 H THR F 43 25.106 17.808 125.797 1.00 0.00 H ATOM 1713 N VAL F 44 28.745 16.938 124.214 1.00 18.63 N ATOM 1714 CA VAL F 44 29.997 17.623 124.052 1.00 17.83 C ATOM 1715 C VAL F 44 30.738 17.190 122.764 1.00 18.41 C ATOM 1716 O VAL F 44 30.502 16.114 122.210 1.00 16.93 O ATOM 1717 CB VAL F 44 30.899 17.400 125.247 1.00 17.84 C ATOM 1718 CG1 VAL F 44 30.201 17.900 126.520 1.00 19.14 C ATOM 1719 CG2 VAL F 44 31.372 15.940 125.369 1.00 16.52 C ATOM 1720 H VAL F 44 28.747 15.909 124.064 1.00 0.00 H ATOM 1721 N GLY F 45 31.610 18.066 122.288 1.00 19.26 N ATOM 1722 CA GLY F 45 32.413 17.790 121.081 1.00 21.02 C ATOM 1723 C GLY F 45 33.656 18.677 121.042 1.00 21.75 C ATOM 1724 O GLY F 45 33.675 19.751 121.674 1.00 21.26 O ATOM 1725 H GLY F 45 31.732 18.975 122.779 1.00 0.00 H ATOM 1726 N PRO F 46 34.692 18.258 120.316 1.00 24.56 N ATOM 1727 CA PRO F 46 35.857 19.167 120.192 1.00 30.48 C ATOM 1728 C PRO F 46 35.472 20.407 119.336 1.00 29.38 C ATOM 1729 O PRO F 46 34.589 20.293 118.489 1.00 31.18 O ATOM 1730 CB PRO F 46 36.943 18.288 119.528 1.00 29.68 C ATOM 1731 CG PRO F 46 36.281 16.968 119.216 1.00 29.91 C ATOM 1732 CD PRO F 46 34.796 17.126 119.386 1.00 26.94 C ATOM 1733 N LYS F 47 36.066 21.556 119.645 1.00 34.88 N ATOM 1734 CA LYS F 47 35.864 22.867 118.934 1.00 49.45 C ATOM 1735 C LYS F 47 35.757 22.897 117.399 1.00 55.14 C ATOM 1736 O LYS F 47 35.145 23.797 116.864 1.00 53.77 O ATOM 1737 CB LYS F 47 36.983 23.859 119.330 1.00 56.14 C ATOM 1738 CG LYS F 47 36.688 24.643 120.614 1.00 66.27 C ATOM 1739 CD LYS F 47 37.913 24.802 121.525 1.00 76.02 C ATOM 1740 CE LYS F 47 37.544 25.231 122.956 1.00 79.26 C ATOM 1741 NZ LYS F 47 38.565 24.799 123.964 1.00 77.22 N ATOM 1742 HZ1 LYS F 47 38.647 23.762 123.950 1.00 0.00 H ATOM 1743 HZ2 LYS F 47 39.485 25.224 123.728 1.00 0.00 H ATOM 1744 HZ3 LYS F 47 38.270 25.112 124.911 1.00 0.00 H ATOM 1745 H LYS F 47 36.727 21.548 120.448 1.00 0.00 H ATOM 1746 N ASP F 48 36.372 21.948 116.703 1.00 67.22 N ATOM 1747 CA ASP F 48 36.412 21.941 115.235 1.00 77.04 C ATOM 1748 C ASP F 48 35.248 21.124 114.670 1.00 73.44 C ATOM 1749 O ASP F 48 34.460 21.630 113.901 1.00 79.23 O ATOM 1750 CB ASP F 48 37.753 21.337 114.724 1.00 95.85 C ATOM 1751 CG ASP F 48 39.020 21.931 115.417 1.00108.34 C ATOM 1752 OD1 ASP F 48 40.003 22.245 114.694 1.00107.13 O ATOM 1753 OD2 ASP F 48 39.054 22.043 116.674 1.00117.96 O ATOM 1754 H ASP F 48 36.845 21.178 117.219 1.00 0.00 H ATOM 1755 N GLN F 49 35.163 19.860 115.078 1.00 66.12 N ATOM 1756 CA GLN F 49 34.252 18.866 114.508 1.00 64.39 C ATOM 1757 C GLN F 49 32.806 19.114 114.909 1.00 60.60 C ATOM 1758 O GLN F 49 32.425 18.802 116.028 1.00 62.91 O ATOM 1759 CB GLN F 49 34.693 17.458 114.967 1.00 65.40 C ATOM 1760 CG GLN F 49 33.706 16.294 114.863 1.00 60.96 C ATOM 1761 CD GLN F 49 34.329 14.995 115.363 1.00 60.74 C ATOM 1762 OE1 GLN F 49 34.653 14.843 116.583 1.00 41.40 O ATOM 1763 NE2 GLN F 49 34.511 14.036 114.427 1.00 56.49 N ATOM 1764 HE22 GLN F 49 34.228 14.211 113.442 1.00 0.00 H ATOM 1765 HE21 GLN F 49 34.934 13.124 114.693 1.00 0.00 H ATOM 1766 H GLN F 49 35.786 19.558 115.854 1.00 0.00 H ATOM 1767 N PRO F 50 31.992 19.650 113.994 1.00 62.15 N ATOM 1768 CA PRO F 50 30.604 19.793 114.354 1.00 61.49 C ATOM 1769 C PRO F 50 29.796 18.504 114.127 1.00 62.70 C ATOM 1770 O PRO F 50 28.785 18.294 114.802 1.00 65.26 O ATOM 1771 CB PRO F 50 30.145 20.895 113.405 1.00 64.60 C ATOM 1772 CG PRO F 50 30.894 20.609 112.146 1.00 59.52 C ATOM 1773 CD PRO F 50 32.232 20.099 112.603 1.00 61.26 C ATOM 1774 N ASP F 51 30.229 17.640 113.207 1.00 62.84 N ATOM 1775 CA ASP F 51 29.362 16.533 112.766 1.00 67.48 C ATOM 1776 C ASP F 51 29.100 15.433 113.823 1.00 57.19 C ATOM 1777 O ASP F 51 28.051 14.787 113.737 1.00 52.58 O ATOM 1778 CB ASP F 51 29.779 15.913 111.385 1.00 72.89 C ATOM 1779 CG ASP F 51 31.261 15.461 111.305 1.00 78.47 C ATOM 1780 OD1 ASP F 51 32.131 16.292 111.653 1.00 82.25 O ATOM 1781 OD2 ASP F 51 31.554 14.310 110.838 1.00 73.58 O ATOM 1782 H ASP F 51 31.180 17.748 112.800 1.00 0.00 H ATOM 1783 N VAL F 52 30.025 15.243 114.779 1.00 44.59 N ATOM 1784 CA VAL F 52 29.954 14.155 115.755 1.00 42.11 C ATOM 1785 C VAL F 52 30.085 14.675 117.198 1.00 40.29 C ATOM 1786 O VAL F 52 31.116 15.247 117.576 1.00 47.60 O ATOM 1787 CB VAL F 52 31.011 13.076 115.517 1.00 39.72 C ATOM 1788 CG1 VAL F 52 30.707 11.869 116.353 1.00 41.93 C ATOM 1789 CG2 VAL F 52 31.007 12.609 114.068 1.00 41.60 C ATOM 1790 H VAL F 52 30.829 15.900 114.828 1.00 0.00 H ATOM 1791 N GLU F 53 29.033 14.469 117.991 1.00 30.86 N ATOM 1792 CA GLU F 53 29.073 14.758 119.430 1.00 31.34 C ATOM 1793 C GLU F 53 29.201 13.488 120.263 1.00 26.44 C ATOM 1794 O GLU F 53 28.928 12.375 119.802 1.00 24.81 O ATOM 1795 CB GLU F 53 27.802 15.456 119.839 1.00 33.99 C ATOM 1796 CG GLU F 53 27.631 16.869 119.284 1.00 39.95 C ATOM 1797 CD GLU F 53 26.167 17.292 119.229 1.00 45.23 C ATOM 1798 OE1 GLU F 53 25.468 17.195 120.271 1.00 45.19 O ATOM 1799 OE2 GLU F 53 25.689 17.676 118.136 1.00 53.87 O ATOM 1800 H GLU F 53 28.157 14.092 117.577 1.00 0.00 H HETATM 1801 N MSE F 54 29.626 13.682 121.489 1.00 24.37 N HETATM 1802 CA MSE F 54 29.554 12.653 122.518 1.00 25.73 C HETATM 1803 C MSE F 54 28.428 12.961 123.504 1.00 20.95 C HETATM 1804 O MSE F 54 28.360 14.037 124.090 1.00 18.43 O HETATM 1805 CB MSE F 54 30.866 12.598 123.251 1.00 30.18 C HETATM 1806 CG MSE F 54 31.870 11.819 122.431 1.00 44.61 C HETATM 1807 SE MSE F 54 33.714 12.313 122.972 1.00 72.73 S HETATM 1808 CE MSE F 54 33.792 14.057 122.026 1.00 67.77 C HETATM 1809 H MSE F 54 30.031 14.608 121.736 1.00 0.00 H ATOM 1810 N VAL F 55 27.582 11.979 123.704 1.00 18.36 N ATOM 1811 CA VAL F 55 26.496 12.012 124.665 1.00 17.63 C ATOM 1812 C VAL F 55 26.953 11.440 126.040 1.00 16.87 C ATOM 1813 O VAL F 55 27.334 10.281 126.119 1.00 16.60 O ATOM 1814 CB VAL F 55 25.327 11.187 124.136 1.00 17.10 C ATOM 1815 CG1 VAL F 55 24.156 11.205 125.133 1.00 17.47 C ATOM 1816 CG2 VAL F 55 24.858 11.748 122.825 1.00 17.49 C ATOM 1817 H VAL F 55 27.698 11.117 123.134 1.00 0.00 H ATOM 1818 N LEU F 56 26.977 12.272 127.071 1.00 15.71 N ATOM 1819 CA LEU F 56 27.391 11.859 128.371 1.00 16.85 C ATOM 1820 C LEU F 56 26.161 11.310 129.118 1.00 19.80 C ATOM 1821 O LEU F 56 25.427 12.061 129.699 1.00 19.14 O ATOM 1822 CB LEU F 56 28.010 13.001 129.102 1.00 15.77 C ATOM 1823 CG LEU F 56 29.102 13.775 128.374 1.00 16.00 C ATOM 1824 CD1 LEU F 56 29.690 14.755 129.341 1.00 16.09 C ATOM 1825 CD2 LEU F 56 30.222 12.871 127.845 1.00 15.79 C ATOM 1826 H LEU F 56 26.684 13.259 126.927 1.00 0.00 H ATOM 1827 N ARG F 57 25.968 10.003 129.027 1.00 21.18 N ATOM 1828 CA ARG F 57 24.760 9.325 129.408 1.00 25.75 C ATOM 1829 C ARG F 57 24.879 8.710 130.817 1.00 27.22 C ATOM 1830 O ARG F 57 25.804 7.891 131.083 1.00 23.75 O ATOM 1831 CB ARG F 57 24.467 8.225 128.431 1.00 27.37 C ATOM 1832 CG ARG F 57 23.393 7.297 128.915 1.00 30.55 C ATOM 1833 CD ARG F 57 22.931 6.382 127.802 1.00 34.07 C ATOM 1834 NE ARG F 57 21.568 6.726 127.443 1.00 42.41 N ATOM 1835 CZ ARG F 57 20.494 5.935 127.536 1.00 45.75 C ATOM 1836 NH1 ARG F 57 20.556 4.663 127.964 1.00 43.96 N ATOM 1837 NH2 ARG F 57 19.321 6.443 127.163 1.00 51.47 N ATOM 1838 HE ARG F 57 21.410 7.686 127.076 1.00 0.00 H ATOM 1839 HH12 ARG F 57 19.690 4.090 128.018 1.00 0.00 H ATOM 1840 HH11 ARG F 57 21.470 4.252 128.242 1.00 0.00 H ATOM 1841 HH22 ARG F 57 18.461 5.861 127.220 1.00 0.00 H ATOM 1842 HH21 ARG F 57 19.265 7.421 126.815 1.00 0.00 H ATOM 1843 H ARG F 57 26.748 9.425 128.652 1.00 0.00 H ATOM 1844 N ARG F 58 23.922 9.101 131.668 1.00 27.32 N ATOM 1845 CA ARG F 58 23.853 8.682 133.054 1.00 32.53 C ATOM 1846 C ARG F 58 23.612 7.180 133.109 1.00 27.91 C ATOM 1847 O ARG F 58 22.851 6.633 132.336 1.00 25.32 O ATOM 1848 CB ARG F 58 22.739 9.450 133.787 1.00 39.22 C ATOM 1849 CG ARG F 58 22.525 9.089 135.254 1.00 46.35 C ATOM 1850 CD ARG F 58 21.337 9.850 135.863 1.00 50.76 C ATOM 1851 NE ARG F 58 20.332 8.945 136.444 1.00 51.91 N ATOM 1852 CZ ARG F 58 20.486 8.274 137.578 1.00 47.41 C ATOM 1853 NH1 ARG F 58 21.623 8.365 138.269 1.00 45.47 N ATOM 1854 NH2 ARG F 58 19.510 7.483 137.997 1.00 48.67 N ATOM 1855 HE ARG F 58 19.437 8.823 135.929 1.00 0.00 H ATOM 1856 HH12 ARG F 58 21.736 7.836 139.157 1.00 0.00 H ATOM 1857 HH11 ARG F 58 22.397 8.965 137.920 1.00 0.00 H ATOM 1858 HH22 ARG F 58 19.617 6.951 138.884 1.00 0.00 H ATOM 1859 HH21 ARG F 58 18.637 7.394 137.439 1.00 0.00 H ATOM 1860 H ARG F 58 23.185 9.743 131.314 1.00 0.00 H ATOM 1861 N VAL F 59 24.348 6.499 133.960 1.00 29.36 N ATOM 1862 CA VAL F 59 24.059 5.073 134.149 1.00 38.56 C ATOM 1863 C VAL F 59 23.354 4.900 135.510 1.00 36.03 C ATOM 1864 O VAL F 59 23.993 4.963 136.561 1.00 30.11 O ATOM 1865 CB VAL F 59 25.307 4.179 134.061 1.00 37.72 C ATOM 1866 CG1 VAL F 59 24.875 2.716 134.129 1.00 37.20 C ATOM 1867 CG2 VAL F 59 26.086 4.499 132.776 1.00 35.68 C ATOM 1868 H VAL F 59 25.117 6.960 134.487 1.00 0.00 H ATOM 1869 N GLY F 60 22.043 4.706 135.417 1.00 39.48 N ATOM 1870 CA GLY F 60 21.137 4.612 136.560 1.00 43.94 C ATOM 1871 C GLY F 60 19.676 4.489 136.107 1.00 48.07 C ATOM 1872 O GLY F 60 19.346 4.483 134.884 1.00 42.03 O ATOM 1873 H GLY F 60 21.633 4.615 134.465 1.00 0.00 H ATOM 1874 N ALA F 61 18.797 4.377 137.107 1.00 52.56 N ATOM 1875 CA ALA F 61 17.355 4.364 136.885 1.00 52.10 C ATOM 1876 C ALA F 61 16.893 5.671 136.195 1.00 48.74 C ATOM 1877 O ALA F 61 17.433 6.733 136.504 1.00 46.83 O ATOM 1878 CB ALA F 61 16.650 4.194 138.224 1.00 55.99 C ATOM 1879 H ALA F 61 19.154 4.296 138.080 1.00 0.00 H ATOM 1880 N PRO F 62 15.935 5.629 135.264 1.00 47.95 N ATOM 1881 CA PRO F 62 15.203 4.438 134.829 1.00 47.69 C ATOM 1882 C PRO F 62 15.754 3.732 133.600 1.00 52.05 C ATOM 1883 O PRO F 62 15.385 2.575 133.366 1.00 48.98 O ATOM 1884 CB PRO F 62 13.830 5.006 134.447 1.00 49.76 C ATOM 1885 CG PRO F 62 14.121 6.414 134.033 1.00 48.04 C ATOM 1886 CD PRO F 62 15.165 6.861 135.017 1.00 47.21 C ATOM 1887 N GLU F 63 16.595 4.387 132.795 1.00 53.44 N ATOM 1888 CA GLU F 63 16.979 3.794 131.508 1.00 50.02 C ATOM 1889 C GLU F 63 17.771 2.528 131.694 1.00 49.37 C ATOM 1890 O GLU F 63 17.854 1.714 130.774 1.00 47.47 O ATOM 1891 CB GLU F 63 17.761 4.760 130.617 1.00 59.11 C ATOM 1892 CG GLU F 63 16.889 5.753 129.857 1.00 61.16 C ATOM 1893 CD GLU F 63 16.527 6.964 130.686 1.00 68.95 C ATOM 1894 OE1 GLU F 63 17.385 7.382 131.496 1.00 82.47 O ATOM 1895 OE2 GLU F 63 15.402 7.512 130.521 1.00 71.66 O ATOM 1896 H GLU F 63 16.976 5.312 133.078 1.00 0.00 H ATOM 1897 N TYR F 64 18.379 2.362 132.864 1.00 50.66 N ATOM 1898 CA TYR F 64 19.017 1.095 133.200 1.00 53.82 C ATOM 1899 C TYR F 64 18.293 0.476 134.390 1.00 56.69 C ATOM 1900 O TYR F 64 18.102 1.121 135.420 1.00 54.21 O ATOM 1901 CB TYR F 64 20.507 1.290 133.495 1.00 52.85 C ATOM 1902 CG TYR F 64 21.280 1.775 132.283 1.00 50.52 C ATOM 1903 CD1 TYR F 64 21.791 0.877 131.356 1.00 48.31 C ATOM 1904 CD2 TYR F 64 21.474 3.140 132.055 1.00 50.25 C ATOM 1905 CE1 TYR F 64 22.493 1.317 130.240 1.00 49.47 C ATOM 1906 CE2 TYR F 64 22.182 3.586 130.944 1.00 52.96 C ATOM 1907 CZ TYR F 64 22.686 2.667 130.040 1.00 48.73 C ATOM 1908 OH TYR F 64 23.367 3.106 128.948 1.00 44.25 O ATOM 1909 HH TYR F 64 23.658 2.329 128.408 1.00 0.00 H ATOM 1910 H TYR F 64 18.400 3.145 133.548 1.00 0.00 H ATOM 1911 N ASP F 65 17.851 -0.760 134.195 1.00 57.07 N ATOM 1912 CA ASP F 65 17.517 -1.658 135.272 1.00 62.54 C ATOM 1913 C ASP F 65 18.618 -1.618 136.374 1.00 65.74 C ATOM 1914 O ASP F 65 19.808 -1.471 136.076 1.00 63.26 O ATOM 1915 CB ASP F 65 17.336 -3.058 134.660 1.00 70.48 C ATOM 1916 CG ASP F 65 17.231 -4.143 135.689 1.00 81.44 C ATOM 1917 OD1 ASP F 65 16.082 -4.515 136.032 1.00 94.67 O ATOM 1918 OD2 ASP F 65 18.298 -4.618 136.162 1.00 89.55 O ATOM 1919 H ASP F 65 17.740 -1.097 133.217 1.00 0.00 H ATOM 1920 N GLU F 66 18.200 -1.800 137.626 1.00 62.03 N ATOM 1921 CA GLU F 66 19.020 -1.544 138.834 1.00 62.44 C ATOM 1922 C GLU F 66 20.227 -2.501 138.947 1.00 56.92 C ATOM 1923 O GLU F 66 21.310 -2.127 139.405 1.00 52.05 O ATOM 1924 CB GLU F 66 18.139 -1.664 140.102 1.00 68.15 C ATOM 1925 CG GLU F 66 16.775 -0.915 140.074 1.00 74.33 C ATOM 1926 CD GLU F 66 15.599 -1.653 139.360 1.00 72.28 C ATOM 1927 OE1 GLU F 66 14.937 -1.024 138.513 1.00 64.18 O ATOM 1928 OE2 GLU F 66 15.321 -2.851 139.613 1.00 69.57 O ATOM 1929 H GLU F 66 17.229 -2.146 137.766 1.00 0.00 H ATOM 1930 N GLU F 67 20.020 -3.740 138.523 1.00 54.28 N ATOM 1931 CA GLU F 67 21.068 -4.734 138.506 1.00 58.29 C ATOM 1932 C GLU F 67 22.034 -4.466 137.353 1.00 53.60 C ATOM 1933 O GLU F 67 23.255 -4.513 137.534 1.00 51.02 O ATOM 1934 CB GLU F 67 20.475 -6.140 138.352 1.00 63.20 C ATOM 1935 CG GLU F 67 21.504 -7.248 138.594 1.00 72.64 C ATOM 1936 CD GLU F 67 21.162 -8.590 137.927 1.00 83.39 C ATOM 1937 OE1 GLU F 67 20.774 -8.634 136.728 1.00 75.56 O ATOM 1938 OE2 GLU F 67 21.312 -9.631 138.611 1.00 90.29 O ATOM 1939 H GLU F 67 19.071 -4.005 138.191 1.00 0.00 H ATOM 1940 N THR F 68 21.465 -4.260 136.165 1.00 48.43 N ATOM 1941 CA THR F 68 22.205 -3.848 134.958 1.00 45.73 C ATOM 1942 C THR F 68 23.106 -2.619 135.234 1.00 41.33 C ATOM 1943 O THR F 68 24.296 -2.632 134.953 1.00 38.47 O ATOM 1944 CB THR F 68 21.213 -3.611 133.799 1.00 46.19 C ATOM 1945 OG1 THR F 68 20.795 -4.884 133.278 1.00 45.00 O ATOM 1946 CG2 THR F 68 21.824 -2.834 132.689 1.00 49.23 C ATOM 1947 HG1 THR F 68 20.158 -4.742 132.534 1.00 0.00 H ATOM 1948 H THR F 68 20.437 -4.398 136.085 1.00 0.00 H ATOM 1949 N ALA F 69 22.532 -1.589 135.826 1.00 38.55 N ATOM 1950 CA ALA F 69 23.284 -0.426 136.245 1.00 41.86 C ATOM 1951 C ALA F 69 24.529 -0.813 137.008 1.00 45.58 C ATOM 1952 O ALA F 69 25.627 -0.500 136.563 1.00 49.48 O ATOM 1953 CB ALA F 69 22.429 0.521 137.075 1.00 41.36 C ATOM 1954 H ALA F 69 21.506 -1.614 135.997 1.00 0.00 H ATOM 1955 N GLU F 70 24.378 -1.537 138.114 1.00 44.95 N ATOM 1956 CA GLU F 70 25.537 -1.907 138.941 1.00 43.91 C ATOM 1957 C GLU F 70 26.652 -2.608 138.144 1.00 37.80 C ATOM 1958 O GLU F 70 27.837 -2.350 138.360 1.00 34.82 O ATOM 1959 CB GLU F 70 25.107 -2.791 140.126 1.00 52.75 C ATOM 1960 CG GLU F 70 26.189 -3.012 141.202 1.00 62.33 C ATOM 1961 CD GLU F 70 26.565 -1.753 142.019 1.00 75.10 C ATOM 1962 OE1 GLU F 70 27.129 -0.769 141.451 1.00 79.91 O ATOM 1963 OE2 GLU F 70 26.319 -1.756 143.254 1.00 80.19 O ATOM 1964 H GLU F 70 23.426 -1.846 138.398 1.00 0.00 H ATOM 1965 N GLN F 71 26.250 -3.486 137.236 1.00 32.39 N ATOM 1966 CA GLN F 71 27.171 -4.203 136.394 1.00 39.19 C ATOM 1967 C GLN F 71 27.863 -3.284 135.348 1.00 39.08 C ATOM 1968 O GLN F 71 29.078 -3.366 135.219 1.00 38.65 O ATOM 1969 CB GLN F 71 26.468 -5.346 135.699 1.00 40.59 C ATOM 1970 CG GLN F 71 26.036 -6.398 136.656 1.00 47.66 C ATOM 1971 CD GLN F 71 25.207 -7.470 136.010 1.00 54.26 C ATOM 1972 OE1 GLN F 71 24.509 -7.231 135.027 1.00 63.86 O ATOM 1973 NE2 GLN F 71 25.277 -8.667 136.563 1.00 57.75 N ATOM 1974 HE22 GLN F 71 25.882 -8.821 137.395 1.00 0.00 H ATOM 1975 HE21 GLN F 71 24.727 -9.456 136.167 1.00 0.00 H ATOM 1976 H GLN F 71 25.231 -3.663 137.128 1.00 0.00 H ATOM 1977 N LEU F 72 27.111 -2.397 134.672 1.00 36.76 N ATOM 1978 CA LEU F 72 27.727 -1.417 133.769 1.00 35.41 C ATOM 1979 C LEU F 72 28.632 -0.472 134.540 1.00 34.44 C ATOM 1980 O LEU F 72 29.799 -0.261 134.141 1.00 35.61 O ATOM 1981 CB LEU F 72 26.701 -0.655 132.928 1.00 36.33 C ATOM 1982 CG LEU F 72 27.292 0.140 131.749 1.00 39.12 C ATOM 1983 CD1 LEU F 72 28.232 -0.722 130.901 1.00 40.34 C ATOM 1984 CD2 LEU F 72 26.197 0.712 130.858 1.00 39.75 C ATOM 1985 H LEU F 72 26.078 -2.406 134.791 1.00 0.00 H ATOM 1986 N ARG F 73 28.149 0.027 135.679 1.00 31.55 N ATOM 1987 CA ARG F 73 28.895 1.019 136.450 1.00 35.08 C ATOM 1988 C ARG F 73 30.237 0.444 136.942 1.00 39.83 C ATOM 1989 O ARG F 73 31.250 1.151 137.024 1.00 43.45 O ATOM 1990 CB ARG F 73 28.039 1.578 137.603 1.00 36.05 C ATOM 1991 CG ARG F 73 26.719 2.257 137.166 1.00 36.97 C ATOM 1992 CD ARG F 73 25.834 2.817 138.303 1.00 36.88 C ATOM 1993 NE ARG F 73 26.159 4.231 138.561 1.00 38.79 N ATOM 1994 CZ ARG F 73 27.111 4.666 139.382 1.00 40.11 C ATOM 1995 NH1 ARG F 73 27.847 3.819 140.120 1.00 49.55 N ATOM 1996 NH2 ARG F 73 27.319 5.976 139.500 1.00 38.59 N ATOM 1997 HE ARG F 73 25.597 4.948 138.060 1.00 0.00 H ATOM 1998 HH12 ARG F 73 28.585 4.188 140.754 1.00 0.00 H ATOM 1999 HH11 ARG F 73 27.679 2.795 140.058 1.00 0.00 H ATOM 2000 HH22 ARG F 73 28.060 6.329 140.138 1.00 0.00 H ATOM 2001 HH21 ARG F 73 26.740 6.646 138.954 1.00 0.00 H ATOM 2002 H ARG F 73 27.223 -0.296 136.025 1.00 0.00 H ATOM 2003 N ASP F 74 30.227 -0.853 137.239 1.00 41.57 N ATOM 2004 CA ASP F 74 31.419 -1.608 137.576 1.00 44.27 C ATOM 2005 C ASP F 74 32.377 -1.836 136.405 1.00 36.75 C ATOM 2006 O ASP F 74 33.593 -1.712 136.589 1.00 35.34 O ATOM 2007 CB ASP F 74 31.050 -2.973 138.210 1.00 50.77 C ATOM 2008 CG ASP F 74 32.264 -3.900 138.354 1.00 59.72 C ATOM 2009 OD1 ASP F 74 33.214 -3.561 139.124 1.00 69.07 O ATOM 2010 OD2 ASP F 74 32.283 -4.956 137.667 1.00 66.18 O ATOM 2011 H ASP F 74 29.315 -1.353 137.229 1.00 0.00 H ATOM 2012 N LEU F 75 31.868 -2.239 135.236 1.00 37.28 N ATOM 2013 CA LEU F 75 32.729 -2.306 134.017 1.00 35.16 C ATOM 2014 C LEU F 75 33.309 -0.934 133.659 1.00 32.26 C ATOM 2015 O LEU F 75 34.459 -0.844 133.257 1.00 30.03 O ATOM 2016 CB LEU F 75 32.014 -2.908 132.814 1.00 35.28 C ATOM 2017 CG LEU F 75 31.639 -4.380 133.011 1.00 40.00 C ATOM 2018 CD1 LEU F 75 31.088 -4.955 131.714 1.00 39.88 C ATOM 2019 CD2 LEU F 75 32.835 -5.201 133.499 1.00 41.85 C ATOM 2020 H LEU F 75 30.865 -2.508 135.175 1.00 0.00 H ATOM 2021 N VAL F 76 32.553 0.135 133.874 1.00 29.67 N ATOM 2022 CA VAL F 76 33.058 1.481 133.519 1.00 29.91 C ATOM 2023 C VAL F 76 34.191 1.911 134.424 1.00 31.36 C ATOM 2024 O VAL F 76 35.212 2.448 133.943 1.00 36.28 O ATOM 2025 CB VAL F 76 31.926 2.533 133.512 1.00 24.87 C ATOM 2026 CG1 VAL F 76 32.478 3.942 133.457 1.00 24.52 C ATOM 2027 CG2 VAL F 76 30.965 2.238 132.362 1.00 23.19 C ATOM 2028 H VAL F 76 31.607 0.028 134.291 1.00 0.00 H ATOM 2029 N ALA F 77 34.035 1.688 135.727 1.00 31.36 N ATOM 2030 CA ALA F 77 35.097 2.076 136.677 1.00 31.73 C ATOM 2031 C ALA F 77 36.386 1.267 136.512 1.00 30.08 C ATOM 2032 O ALA F 77 37.429 1.790 136.767 1.00 29.29 O ATOM 2033 CB ALA F 77 34.616 2.055 138.131 1.00 33.12 C ATOM 2034 H ALA F 77 33.164 1.240 136.077 1.00 0.00 H ATOM 2035 N LYS F 78 36.314 0.055 135.986 1.00 34.53 N ATOM 2036 CA LYS F 78 37.515 -0.727 135.658 1.00 41.32 C ATOM 2037 C LYS F 78 38.075 -0.524 134.245 1.00 39.75 C ATOM 2038 O LYS F 78 38.915 -1.305 133.827 1.00 39.89 O ATOM 2039 CB LYS F 78 37.215 -2.223 135.883 1.00 53.67 C ATOM 2040 CG LYS F 78 36.779 -2.466 137.328 1.00 67.99 C ATOM 2041 CD LYS F 78 36.826 -3.909 137.822 1.00 77.27 C ATOM 2042 CE LYS F 78 36.992 -3.877 139.350 1.00 83.84 C ATOM 2043 NZ LYS F 78 36.850 -5.180 140.054 1.00 86.67 N ATOM 2044 HZ1 LYS F 78 35.901 -5.567 139.876 1.00 0.00 H ATOM 2045 HZ2 LYS F 78 37.569 -5.844 139.701 1.00 0.00 H ATOM 2046 HZ3 LYS F 78 36.981 -5.037 141.076 1.00 0.00 H ATOM 2047 H LYS F 78 35.378 -0.358 135.799 1.00 0.00 H ATOM 2048 N GLY F 79 37.607 0.481 133.489 1.00 34.16 N ATOM 2049 CA GLY F 79 38.207 0.808 132.194 1.00 27.59 C ATOM 2050 C GLY F 79 37.993 -0.165 131.068 1.00 25.32 C ATOM 2051 O GLY F 79 38.870 -0.366 130.218 1.00 25.90 O ATOM 2052 H GLY F 79 36.800 1.040 133.831 1.00 0.00 H ATOM 2053 N VAL F 80 36.825 -0.772 131.027 1.00 24.96 N ATOM 2054 CA VAL F 80 36.507 -1.783 130.005 1.00 24.80 C ATOM 2055 C VAL F 80 35.849 -1.162 128.789 1.00 23.41 C ATOM 2056 O VAL F 80 35.795 -1.777 127.690 1.00 23.79 O ATOM 2057 CB VAL F 80 35.571 -2.850 130.658 1.00 25.12 C ATOM 2058 CG1 VAL F 80 35.159 -3.920 129.688 1.00 24.58 C ATOM 2059 CG2 VAL F 80 36.267 -3.474 131.895 1.00 26.73 C ATOM 2060 H VAL F 80 36.106 -0.530 131.738 1.00 0.00 H ATOM 2061 N ILE F 81 35.237 -0.002 128.998 1.00 22.45 N ATOM 2062 CA ILE F 81 34.561 0.660 127.889 1.00 25.35 C ATOM 2063 C ILE F 81 35.581 1.569 127.230 1.00 23.18 C ATOM 2064 O ILE F 81 36.037 2.562 127.844 1.00 22.34 O ATOM 2065 CB ILE F 81 33.343 1.476 128.356 1.00 27.03 C ATOM 2066 CG1 ILE F 81 32.290 0.543 128.998 1.00 27.88 C ATOM 2067 CG2 ILE F 81 32.739 2.252 127.182 1.00 29.72 C ATOM 2068 CD1 ILE F 81 31.771 -0.582 128.106 1.00 28.75 C ATOM 2069 H ILE F 81 35.240 0.430 129.944 1.00 0.00 H ATOM 2070 N GLY F 82 35.964 1.216 126.009 1.00 21.65 N ATOM 2071 CA GLY F 82 36.754 2.122 125.137 1.00 22.43 C ATOM 2072 C GLY F 82 35.817 2.903 124.265 1.00 22.60 C ATOM 2073 O GLY F 82 35.068 2.329 123.494 1.00 30.39 O ATOM 2074 H GLY F 82 35.702 0.275 125.652 1.00 0.00 H ATOM 2075 N VAL F 83 35.808 4.218 124.348 1.00 22.74 N ATOM 2076 CA VAL F 83 34.861 4.968 123.514 1.00 21.09 C ATOM 2077 C VAL F 83 35.284 4.972 122.031 1.00 19.66 C ATOM 2078 O VAL F 83 34.461 4.798 121.148 1.00 17.34 O ATOM 2079 CB VAL F 83 34.782 6.385 123.962 1.00 22.62 C ATOM 2080 CG1 VAL F 83 33.923 7.212 123.008 1.00 22.97 C ATOM 2081 CG2 VAL F 83 34.265 6.441 125.377 1.00 25.96 C ATOM 2082 H VAL F 83 36.458 4.714 124.991 1.00 0.00 H ATOM 2083 N GLY F 84 36.573 5.215 121.792 1.00 19.45 N ATOM 2084 CA GLY F 84 37.106 5.367 120.427 1.00 20.23 C ATOM 2085 C GLY F 84 38.456 6.050 120.384 1.00 18.19 C ATOM 2086 O GLY F 84 39.233 5.962 121.339 1.00 17.12 O ATOM 2087 H GLY F 84 37.225 5.300 122.598 1.00 0.00 H ATOM 2088 N VAL F 85 38.713 6.707 119.269 1.00 17.03 N ATOM 2089 CA VAL F 85 39.999 7.310 118.944 1.00 17.06 C ATOM 2090 C VAL F 85 39.832 8.794 118.673 1.00 16.88 C ATOM 2091 O VAL F 85 38.998 9.179 117.888 1.00 15.15 O ATOM 2092 CB VAL F 85 40.545 6.695 117.648 1.00 18.40 C ATOM 2093 CG1 VAL F 85 41.915 7.317 117.315 1.00 19.32 C ATOM 2094 CG2 VAL F 85 40.621 5.154 117.767 1.00 18.27 C ATOM 2095 H VAL F 85 37.945 6.801 118.574 1.00 0.00 H ATOM 2096 N LEU F 86 40.586 9.611 119.369 1.00 18.79 N ATOM 2097 CA LEU F 86 40.708 11.001 119.056 1.00 22.47 C ATOM 2098 C LEU F 86 41.935 11.257 118.136 1.00 21.57 C ATOM 2099 O LEU F 86 43.037 10.910 118.470 1.00 21.58 O ATOM 2100 CB LEU F 86 40.922 11.779 120.320 1.00 25.01 C ATOM 2101 CG LEU F 86 39.721 12.232 121.075 1.00 31.04 C ATOM 2102 CD1 LEU F 86 40.221 12.887 122.372 1.00 34.26 C ATOM 2103 CD2 LEU F 86 38.935 13.253 120.256 1.00 32.54 C ATOM 2104 H LEU F 86 41.116 9.233 120.180 1.00 0.00 H ATOM 2105 N HIS F 87 41.714 11.845 116.991 1.00 21.01 N ATOM 2106 CA HIS F 87 42.778 12.174 116.078 1.00 23.40 C ATOM 2107 C HIS F 87 43.189 13.627 116.263 1.00 22.70 C ATOM 2108 O HIS F 87 42.337 14.495 116.206 1.00 20.02 O ATOM 2109 CB HIS F 87 42.343 11.950 114.647 1.00 26.12 C ATOM 2110 CG HIS F 87 43.482 11.995 113.686 1.00 33.93 C ATOM 2111 ND1 HIS F 87 43.859 13.158 113.043 1.00 38.19 N ATOM 2112 CD2 HIS F 87 44.369 11.044 113.311 1.00 33.58 C ATOM 2113 CE1 HIS F 87 44.884 12.896 112.254 1.00 44.01 C ATOM 2114 NE2 HIS F 87 45.224 11.627 112.417 1.00 41.60 N ATOM 2115 H HIS F 87 40.736 12.084 116.730 1.00 0.00 H ATOM 2116 N VAL F 88 44.479 13.855 116.507 1.00 21.02 N ATOM 2117 CA VAL F 88 45.075 15.182 116.638 1.00 22.34 C ATOM 2118 C VAL F 88 46.267 15.292 115.686 1.00 23.88 C ATOM 2119 O VAL F 88 46.773 14.273 115.167 1.00 20.24 O ATOM 2120 CB VAL F 88 45.562 15.423 118.080 1.00 22.21 C ATOM 2121 CG1 VAL F 88 44.360 15.512 119.009 1.00 26.67 C ATOM 2122 CG2 VAL F 88 46.486 14.302 118.574 1.00 21.95 C ATOM 2123 H VAL F 88 45.105 13.031 116.611 1.00 0.00 H ATOM 2124 N ASP F 89 46.755 16.510 115.514 1.00 28.64 N ATOM 2125 CA ASP F 89 47.935 16.748 114.671 1.00 32.65 C ATOM 2126 C ASP F 89 49.231 16.237 115.315 1.00 30.05 C ATOM 2127 O ASP F 89 50.036 15.622 114.635 1.00 28.28 O ATOM 2128 CB ASP F 89 48.108 18.232 114.290 1.00 39.02 C ATOM 2129 CG ASP F 89 49.234 18.421 113.228 1.00 47.16 C ATOM 2130 OD1 ASP F 89 48.991 18.146 112.003 1.00 45.35 O ATOM 2131 OD2 ASP F 89 50.375 18.784 113.645 1.00 49.97 O ATOM 2132 H ASP F 89 46.294 17.315 115.985 1.00 0.00 H ATOM 2133 N ASP F 90 49.426 16.486 116.606 1.00 29.28 N ATOM 2134 CA ASP F 90 50.624 16.014 117.339 1.00 27.61 C ATOM 2135 C ASP F 90 50.261 15.367 118.711 1.00 26.10 C ATOM 2136 O ASP F 90 49.882 16.070 119.674 1.00 23.79 O ATOM 2137 CB ASP F 90 51.542 17.220 117.530 1.00 31.11 C ATOM 2138 CG ASP F 90 52.957 16.850 117.986 1.00 36.30 C ATOM 2139 OD1 ASP F 90 53.211 15.700 118.443 1.00 40.19 O ATOM 2140 OD2 ASP F 90 53.824 17.754 117.909 1.00 45.12 O ATOM 2141 H ASP F 90 48.709 17.034 117.122 1.00 0.00 H ATOM 2142 N THR F 91 50.412 14.046 118.806 1.00 23.91 N ATOM 2143 CA THR F 91 49.987 13.258 119.987 1.00 23.48 C ATOM 2144 C THR F 91 50.799 13.687 121.216 1.00 25.08 C ATOM 2145 O THR F 91 50.256 13.782 122.299 1.00 23.53 O ATOM 2146 CB THR F 91 50.132 11.739 119.738 1.00 22.06 C ATOM 2147 OG1 THR F 91 49.239 11.317 118.705 1.00 20.60 O ATOM 2148 CG2 THR F 91 49.894 10.893 120.977 1.00 21.82 C ATOM 2149 HG1 THR F 91 49.343 10.344 118.557 1.00 0.00 H ATOM 2150 H THR F 91 50.851 13.542 118.009 1.00 0.00 H ATOM 2151 N ARG F 92 52.078 14.004 121.033 1.00 26.23 N ATOM 2152 CA ARG F 92 52.962 14.348 122.140 1.00 27.28 C ATOM 2153 C ARG F 92 52.612 15.689 122.712 1.00 25.14 C ATOM 2154 O ARG F 92 52.724 15.907 123.935 1.00 24.97 O ATOM 2155 CB ARG F 92 54.431 14.324 121.701 1.00 33.63 C ATOM 2156 CG ARG F 92 54.858 12.945 121.178 1.00 41.71 C ATOM 2157 CD ARG F 92 56.237 12.860 120.454 1.00 43.13 C ATOM 2158 NE ARG F 92 56.590 11.444 120.282 1.00 44.67 N ATOM 2159 CZ ARG F 92 56.946 10.637 121.295 1.00 49.15 C ATOM 2160 NH1 ARG F 92 57.053 11.106 122.557 1.00 51.64 N ATOM 2161 NH2 ARG F 92 57.200 9.351 121.064 1.00 51.02 N ATOM 2162 HE ARG F 92 56.563 11.044 119.322 1.00 0.00 H ATOM 2163 HH12 ARG F 92 57.330 10.465 123.328 1.00 0.00 H ATOM 2164 HH11 ARG F 92 56.858 12.108 122.758 1.00 0.00 H ATOM 2165 HH22 ARG F 92 57.476 8.726 121.848 1.00 0.00 H ATOM 2166 HH21 ARG F 92 57.123 8.971 120.099 1.00 0.00 H ATOM 2167 H ARG F 92 52.461 14.006 120.066 1.00 0.00 H ATOM 2168 N ALA F 93 52.171 16.598 121.850 1.00 22.26 N ATOM 2169 CA ALA F 93 51.757 17.914 122.317 1.00 21.56 C ATOM 2170 C ALA F 93 50.435 17.825 123.075 1.00 20.45 C ATOM 2171 O ALA F 93 50.303 18.399 124.137 1.00 21.93 O ATOM 2172 CB ALA F 93 51.682 18.906 121.159 1.00 21.00 C ATOM 2173 H ALA F 93 52.121 16.369 120.837 1.00 0.00 H ATOM 2174 N THR F 94 49.463 17.102 122.540 1.00 20.00 N ATOM 2175 CA THR F 94 48.169 16.993 123.193 1.00 20.07 C ATOM 2176 C THR F 94 48.291 16.194 124.512 1.00 20.49 C ATOM 2177 O THR F 94 47.671 16.551 125.525 1.00 19.41 O ATOM 2178 CB THR F 94 47.174 16.374 122.237 1.00 20.39 C ATOM 2179 OG1 THR F 94 47.097 17.222 121.119 1.00 21.19 O ATOM 2180 CG2 THR F 94 45.781 16.296 122.827 1.00 21.23 C ATOM 2181 HG1 THR F 94 47.990 17.293 120.698 1.00 0.00 H ATOM 2182 H THR F 94 49.628 16.606 121.641 1.00 0.00 H ATOM 2183 N TYR F 95 49.153 15.175 124.492 1.00 18.38 N ATOM 2184 CA TYR F 95 49.509 14.424 125.647 1.00 18.81 C ATOM 2185 C TYR F 95 49.936 15.311 126.771 1.00 20.82 C ATOM 2186 O TYR F 95 49.388 15.204 127.890 1.00 20.39 O ATOM 2187 CB TYR F 95 50.601 13.417 125.355 1.00 18.05 C ATOM 2188 CG TYR F 95 51.229 12.753 126.568 1.00 19.24 C ATOM 2189 CD1 TYR F 95 50.493 11.928 127.373 1.00 19.39 C ATOM 2190 CD2 TYR F 95 52.605 12.910 126.871 1.00 19.56 C ATOM 2191 CE1 TYR F 95 51.076 11.262 128.446 1.00 21.09 C ATOM 2192 CE2 TYR F 95 53.198 12.233 127.923 1.00 19.55 C ATOM 2193 CZ TYR F 95 52.426 11.426 128.733 1.00 22.49 C ATOM 2194 OH TYR F 95 52.960 10.750 129.857 1.00 25.38 O ATOM 2195 HH TYR F 95 52.243 10.229 130.298 1.00 0.00 H ATOM 2196 H TYR F 95 49.588 14.916 123.583 1.00 0.00 H ATOM 2197 N GLU F 96 50.883 16.192 126.493 1.00 22.79 N ATOM 2198 CA GLU F 96 51.450 17.043 127.531 1.00 24.11 C ATOM 2199 C GLU F 96 50.449 18.121 127.948 1.00 23.84 C ATOM 2200 O GLU F 96 50.416 18.468 129.124 1.00 25.29 O ATOM 2201 CB GLU F 96 52.816 17.671 127.089 1.00 27.48 C ATOM 2202 CG GLU F 96 54.072 16.759 127.024 1.00 27.74 C ATOM 2203 CD GLU F 96 54.389 15.950 128.297 1.00 31.75 C ATOM 2204 OE1 GLU F 96 53.896 16.249 129.426 1.00 34.13 O ATOM 2205 OE2 GLU F 96 55.165 14.976 128.165 1.00 37.58 O ATOM 2206 H GLU F 96 51.229 16.279 125.516 1.00 0.00 H ATOM 2207 N ARG F 97 49.639 18.629 127.009 1.00 23.11 N ATOM 2208 CA ARG F 97 48.561 19.599 127.336 1.00 24.18 C ATOM 2209 C ARG F 97 47.554 18.972 128.313 1.00 22.26 C ATOM 2210 O ARG F 97 47.290 19.492 129.394 1.00 19.91 O ATOM 2211 CB ARG F 97 47.863 20.088 126.062 1.00 27.93 C ATOM 2212 CG ARG F 97 46.664 21.013 126.228 1.00 32.79 C ATOM 2213 CD ARG F 97 46.349 21.810 124.950 1.00 38.70 C ATOM 2214 NE ARG F 97 45.328 21.152 124.100 1.00 49.33 N ATOM 2215 CZ ARG F 97 45.501 20.634 122.851 1.00 56.25 C ATOM 2216 NH1 ARG F 97 46.696 20.656 122.211 1.00 51.80 N ATOM 2217 NH2 ARG F 97 44.445 20.067 122.213 1.00 50.26 N ATOM 2218 HE ARG F 97 44.372 21.077 124.502 1.00 0.00 H ATOM 2219 HH12 ARG F 97 46.783 20.249 121.258 1.00 0.00 H ATOM 2220 HH11 ARG F 97 47.526 21.080 122.673 1.00 0.00 H ATOM 2221 HH22 ARG F 97 44.566 19.669 121.260 1.00 0.00 H ATOM 2222 HH21 ARG F 97 43.515 20.031 122.677 1.00 0.00 H ATOM 2223 H ARG F 97 49.769 18.335 126.020 1.00 0.00 H ATOM 2224 N TYR F 98 47.073 17.806 127.946 1.00 20.10 N ATOM 2225 CA TYR F 98 46.109 17.105 128.750 1.00 21.04 C ATOM 2226 C TYR F 98 46.690 16.699 130.075 1.00 22.52 C ATOM 2227 O TYR F 98 46.023 16.792 131.095 1.00 23.83 O ATOM 2228 CB TYR F 98 45.596 15.867 128.033 1.00 19.26 C ATOM 2229 CG TYR F 98 44.610 16.060 126.906 1.00 17.93 C ATOM 2230 CD1 TYR F 98 44.168 17.309 126.507 1.00 18.78 C ATOM 2231 CD2 TYR F 98 44.096 14.956 126.258 1.00 18.27 C ATOM 2232 CE1 TYR F 98 43.258 17.454 125.500 1.00 18.71 C ATOM 2233 CE2 TYR F 98 43.161 15.083 125.242 1.00 18.79 C ATOM 2234 CZ TYR F 98 42.760 16.332 124.862 1.00 19.64 C ATOM 2235 OH TYR F 98 41.851 16.458 123.841 1.00 22.48 O ATOM 2236 HH TYR F 98 41.663 17.417 123.685 1.00 0.00 H ATOM 2237 H TYR F 98 47.397 17.380 127.054 1.00 0.00 H ATOM 2238 N ARG F 99 47.925 16.249 130.076 1.00 24.21 N ATOM 2239 CA ARG F 99 48.520 15.800 131.288 1.00 25.91 C ATOM 2240 C ARG F 99 48.769 16.946 132.237 1.00 26.11 C ATOM 2241 O ARG F 99 48.632 16.759 133.420 1.00 25.16 O ATOM 2242 CB ARG F 99 49.802 15.039 131.009 1.00 29.87 C ATOM 2243 CG ARG F 99 50.462 14.395 132.197 1.00 32.96 C ATOM 2244 CD ARG F 99 51.680 13.643 131.700 1.00 41.48 C ATOM 2245 NE ARG F 99 52.220 12.708 132.690 1.00 45.61 N ATOM 2246 CZ ARG F 99 53.030 13.035 133.699 1.00 51.90 C ATOM 2247 NH1 ARG F 99 53.425 14.320 133.914 1.00 50.95 N ATOM 2248 NH2 ARG F 99 53.437 12.060 134.519 1.00 52.21 N ATOM 2249 HE ARG F 99 51.950 11.708 132.599 1.00 0.00 H ATOM 2250 HH12 ARG F 99 54.057 14.544 134.709 1.00 0.00 H ATOM 2251 HH11 ARG F 99 53.095 15.078 133.283 1.00 0.00 H ATOM 2252 HH22 ARG F 99 54.069 12.280 135.315 1.00 0.00 H ATOM 2253 HH21 ARG F 99 53.122 11.082 134.360 1.00 0.00 H ATOM 2254 H ARG F 99 48.468 16.221 129.190 1.00 0.00 H ATOM 2255 N ALA F 100 49.096 18.125 131.731 1.00 28.83 N ATOM 2256 CA ALA F 100 49.249 19.317 132.576 1.00 30.09 C ATOM 2257 C ALA F 100 47.922 19.818 133.162 1.00 30.74 C ATOM 2258 O ALA F 100 47.916 20.416 134.229 1.00 33.60 O ATOM 2259 CB ALA F 100 49.894 20.437 131.799 1.00 27.13 C ATOM 2260 H ALA F 100 49.249 18.210 130.706 1.00 0.00 H ATOM 2261 N ALA F 101 46.814 19.632 132.448 1.00 33.95 N ATOM 2262 CA ALA F 101 45.469 19.727 133.057 1.00 35.30 C ATOM 2263 C ALA F 101 45.460 18.407 133.805 1.00 37.40 C ATOM 2264 O ALA F 101 46.466 17.762 133.882 1.00 49.38 O ATOM 2265 CB ALA F 101 44.399 19.786 131.999 1.00 34.00 C ATOM 2266 H ALA F 101 46.896 19.414 131.434 1.00 0.00 H ATOM 2267 N GLY F 102 44.422 17.919 134.381 1.00 37.03 N ATOM 2268 CA GLY F 102 44.718 16.705 135.170 1.00 34.16 C ATOM 2269 C GLY F 102 44.433 15.338 134.604 1.00 32.65 C ATOM 2270 O GLY F 102 44.046 14.475 135.375 1.00 37.44 O ATOM 2271 H GLY F 102 43.472 18.334 134.301 1.00 0.00 H ATOM 2272 N VAL F 103 44.640 15.099 133.303 1.00 28.85 N ATOM 2273 CA VAL F 103 44.185 13.852 132.675 1.00 23.79 C ATOM 2274 C VAL F 103 45.154 12.724 132.943 1.00 23.56 C ATOM 2275 O VAL F 103 46.351 12.893 132.791 1.00 22.31 O ATOM 2276 CB VAL F 103 43.983 14.017 131.152 1.00 22.96 C ATOM 2277 CG1 VAL F 103 43.595 12.716 130.515 1.00 24.00 C ATOM 2278 CG2 VAL F 103 42.905 15.033 130.843 1.00 24.06 C ATOM 2279 H VAL F 103 45.133 15.810 132.726 1.00 0.00 H ATOM 2280 N ILE F 104 44.617 11.548 133.275 1.00 24.73 N ATOM 2281 CA ILE F 104 45.415 10.396 133.648 1.00 26.65 C ATOM 2282 C ILE F 104 45.566 9.593 132.391 1.00 26.03 C ATOM 2283 O ILE F 104 44.540 9.218 131.762 1.00 22.67 O ATOM 2284 CB ILE F 104 44.713 9.462 134.719 1.00 32.13 C ATOM 2285 CG1 ILE F 104 44.269 10.196 136.037 1.00 36.23 C ATOM 2286 CG2 ILE F 104 45.572 8.247 135.028 1.00 32.07 C ATOM 2287 CD1 ILE F 104 45.195 11.296 136.514 1.00 40.77 C ATOM 2288 H ILE F 104 43.581 11.454 133.266 1.00 0.00 H ATOM 2289 N PHE F 105 46.822 9.282 132.055 1.00 23.08 N ATOM 2290 CA PHE F 105 47.148 8.475 130.906 1.00 22.12 C ATOM 2291 C PHE F 105 47.491 7.080 131.359 1.00 24.23 C ATOM 2292 O PHE F 105 48.279 6.905 132.270 1.00 28.68 O ATOM 2293 CB PHE F 105 48.288 9.113 130.096 1.00 19.69 C ATOM 2294 CG PHE F 105 47.802 10.154 129.131 1.00 18.35 C ATOM 2295 CD1 PHE F 105 47.541 9.833 127.811 1.00 16.23 C ATOM 2296 CD2 PHE F 105 47.555 11.457 129.554 1.00 17.58 C ATOM 2297 CE1 PHE F 105 47.015 10.764 126.931 1.00 15.28 C ATOM 2298 CE2 PHE F 105 47.056 12.400 128.666 1.00 16.26 C ATOM 2299 CZ PHE F 105 46.779 12.043 127.354 1.00 15.39 C ATOM 2300 H PHE F 105 47.598 9.638 132.649 1.00 0.00 H ATOM 2301 N ILE F 106 46.883 6.084 130.748 1.00 27.67 N ATOM 2302 CA ILE F 106 47.281 4.712 130.992 1.00 30.39 C ATOM 2303 C ILE F 106 48.404 4.250 130.056 1.00 31.48 C ATOM 2304 O ILE F 106 49.060 3.267 130.356 1.00 28.39 O ATOM 2305 CB ILE F 106 46.101 3.744 130.978 1.00 32.37 C ATOM 2306 CG1 ILE F 106 45.461 3.675 129.637 1.00 34.09 C ATOM 2307 CG2 ILE F 106 45.066 4.144 132.051 1.00 33.00 C ATOM 2308 CD1 ILE F 106 44.081 3.042 129.688 1.00 37.92 C ATOM 2309 H ILE F 106 46.109 6.284 130.083 1.00 0.00 H ATOM 2310 N GLN F 107 48.634 4.946 128.936 1.00 28.82 N ATOM 2311 CA GLN F 107 49.782 4.633 128.057 1.00 27.08 C ATOM 2312 C GLN F 107 50.291 5.973 127.566 1.00 26.21 C ATOM 2313 O GLN F 107 49.522 6.750 126.987 1.00 24.45 O ATOM 2314 CB GLN F 107 49.344 3.724 126.892 1.00 26.34 C ATOM 2315 CG GLN F 107 50.459 3.223 125.968 1.00 27.30 C ATOM 2316 CD GLN F 107 49.961 2.830 124.556 1.00 28.48 C ATOM 2317 OE1 GLN F 107 49.410 1.780 124.384 1.00 29.85 O ATOM 2318 NE2 GLN F 107 50.147 3.696 123.556 1.00 32.21 N ATOM 2319 HE22 GLN F 107 50.629 4.600 123.734 1.00 0.00 H ATOM 2320 HE21 GLN F 107 49.810 3.466 122.599 1.00 0.00 H ATOM 2321 H GLN F 107 47.992 5.723 128.678 1.00 0.00 H ATOM 2322 N GLU F 108 51.551 6.260 127.836 1.00 22.68 N ATOM 2323 CA GLU F 108 52.260 7.380 127.239 1.00 25.82 C ATOM 2324 C GLU F 108 52.352 7.225 125.698 1.00 23.35 C ATOM 2325 O GLU F 108 52.062 6.124 125.146 1.00 22.43 O ATOM 2326 CB GLU F 108 53.649 7.513 127.888 1.00 32.73 C ATOM 2327 CG GLU F 108 54.774 6.605 127.355 1.00 41.66 C ATOM 2328 CD GLU F 108 54.617 5.084 127.649 1.00 52.31 C ATOM 2329 OE1 GLU F 108 53.746 4.682 128.500 1.00 52.26 O ATOM 2330 OE2 GLU F 108 55.388 4.273 127.016 1.00 57.45 O ATOM 2331 H GLU F 108 52.062 5.654 128.510 1.00 0.00 H ATOM 2332 N PRO F 109 52.710 8.305 124.981 1.00 22.91 N ATOM 2333 CA PRO F 109 52.741 8.211 123.512 1.00 23.87 C ATOM 2334 C PRO F 109 53.791 7.186 123.064 1.00 25.60 C ATOM 2335 O PRO F 109 54.927 7.239 123.538 1.00 24.15 O ATOM 2336 CB PRO F 109 53.162 9.588 123.084 1.00 23.50 C ATOM 2337 CG PRO F 109 52.878 10.453 124.266 1.00 23.02 C ATOM 2338 CD PRO F 109 53.169 9.625 125.428 1.00 22.82 C ATOM 2339 N VAL F 110 53.342 6.250 122.226 1.00 24.04 N ATOM 2340 CA VAL F 110 54.105 5.158 121.671 1.00 24.03 C ATOM 2341 C VAL F 110 54.029 5.203 120.133 1.00 23.43 C ATOM 2342 O VAL F 110 52.937 5.382 119.580 1.00 21.80 O ATOM 2343 CB VAL F 110 53.503 3.820 122.173 1.00 24.21 C ATOM 2344 CG1 VAL F 110 54.030 2.623 121.388 1.00 26.59 C ATOM 2345 CG2 VAL F 110 53.869 3.609 123.615 1.00 24.93 C ATOM 2346 H VAL F 110 52.343 6.314 121.945 1.00 0.00 H ATOM 2347 N LYS F 111 55.148 4.954 119.444 1.00 23.64 N ATOM 2348 CA LYS F 111 55.132 4.952 117.976 1.00 26.14 C ATOM 2349 C LYS F 111 54.565 3.641 117.514 1.00 24.91 C ATOM 2350 O LYS F 111 54.972 2.602 117.958 1.00 23.61 O ATOM 2351 CB LYS F 111 56.502 5.126 117.336 1.00 30.61 C ATOM 2352 CG LYS F 111 57.246 6.407 117.679 1.00 33.95 C ATOM 2353 CD LYS F 111 58.563 6.404 116.920 1.00 40.96 C ATOM 2354 CE LYS F 111 59.703 7.030 117.707 1.00 45.24 C ATOM 2355 NZ LYS F 111 59.477 8.489 117.951 1.00 48.69 N ATOM 2356 HZ1 LYS F 111 59.399 8.984 117.040 1.00 0.00 H ATOM 2357 HZ2 LYS F 111 58.598 8.617 118.492 1.00 0.00 H ATOM 2358 HZ3 LYS F 111 60.277 8.877 118.490 1.00 0.00 H ATOM 2359 H LYS F 111 56.035 4.761 119.951 1.00 0.00 H ATOM 2360 N ARG F 112 53.635 3.734 116.580 1.00 25.37 N ATOM 2361 CA ARG F 112 52.946 2.627 115.999 1.00 25.76 C ATOM 2362 C ARG F 112 53.071 2.788 114.483 1.00 25.29 C ATOM 2363 O ARG F 112 53.347 3.895 113.965 1.00 24.79 O ATOM 2364 CB ARG F 112 51.461 2.698 116.454 1.00 28.84 C ATOM 2365 CG ARG F 112 51.225 2.407 117.940 1.00 30.68 C ATOM 2366 CD ARG F 112 50.830 0.976 118.134 1.00 34.36 C ATOM 2367 NE ARG F 112 51.197 0.344 119.385 1.00 39.83 N ATOM 2368 CZ ARG F 112 50.643 0.606 120.569 1.00 49.64 C ATOM 2369 NH1 ARG F 112 49.745 1.590 120.708 1.00 53.67 N ATOM 2370 NH2 ARG F 112 51.023 -0.088 121.649 1.00 46.42 N ATOM 2371 HE ARG F 112 51.952 -0.370 119.357 1.00 0.00 H ATOM 2372 HH12 ARG F 112 49.323 1.781 121.639 1.00 0.00 H ATOM 2373 HH11 ARG F 112 49.470 2.163 119.885 1.00 0.00 H ATOM 2374 HH22 ARG F 112 50.593 0.113 122.574 1.00 0.00 H ATOM 2375 HH21 ARG F 112 51.748 -0.829 121.563 1.00 0.00 H ATOM 2376 H ARG F 112 53.386 4.686 116.243 1.00 0.00 H ATOM 2377 N PRO F 113 52.812 1.711 113.736 1.00 25.36 N ATOM 2378 CA PRO F 113 53.001 1.818 112.299 1.00 25.79 C ATOM 2379 C PRO F 113 52.192 2.887 111.673 1.00 27.19 C ATOM 2380 O PRO F 113 52.601 3.361 110.671 1.00 28.25 O ATOM 2381 CB PRO F 113 52.540 0.469 111.766 1.00 26.71 C ATOM 2382 CG PRO F 113 52.536 -0.433 112.976 1.00 25.94 C ATOM 2383 CD PRO F 113 52.213 0.435 114.123 1.00 24.82 C ATOM 2384 N TYR F 114 51.060 3.264 112.279 1.00 31.12 N ATOM 2385 CA TYR F 114 50.123 4.301 111.739 1.00 29.31 C ATOM 2386 C TYR F 114 50.300 5.719 112.303 1.00 29.69 C ATOM 2387 O TYR F 114 49.593 6.639 111.890 1.00 35.60 O ATOM 2388 CB TYR F 114 48.651 3.858 111.967 1.00 30.71 C ATOM 2389 CG TYR F 114 48.282 3.503 113.418 1.00 32.37 C ATOM 2390 CD1 TYR F 114 48.019 4.506 114.353 1.00 34.54 C ATOM 2391 CD2 TYR F 114 48.250 2.174 113.861 1.00 33.02 C ATOM 2392 CE1 TYR F 114 47.703 4.216 115.670 1.00 32.76 C ATOM 2393 CE2 TYR F 114 47.960 1.857 115.177 1.00 31.90 C ATOM 2394 CZ TYR F 114 47.668 2.899 116.082 1.00 38.63 C ATOM 2395 OH TYR F 114 47.375 2.653 117.424 1.00 42.17 O ATOM 2396 HH TYR F 114 47.201 3.511 117.885 1.00 0.00 H ATOM 2397 H TYR F 114 50.815 2.809 113.181 1.00 0.00 H ATOM 2398 N GLY F 115 51.222 5.909 113.244 1.00 28.09 N ATOM 2399 CA GLY F 115 51.300 7.139 113.987 1.00 23.69 C ATOM 2400 C GLY F 115 51.738 6.933 115.428 1.00 23.30 C ATOM 2401 O GLY F 115 52.142 5.857 115.837 1.00 25.00 O ATOM 2402 H GLY F 115 51.903 5.150 113.447 1.00 0.00 H ATOM 2403 N THR F 116 51.690 8.004 116.191 1.00 21.09 N ATOM 2404 CA THR F 116 51.965 7.983 117.592 1.00 22.35 C ATOM 2405 C THR F 116 50.630 7.899 118.342 1.00 21.97 C ATOM 2406 O THR F 116 49.692 8.653 118.055 1.00 23.02 O ATOM 2407 CB THR F 116 52.703 9.255 117.969 1.00 22.99 C ATOM 2408 OG1 THR F 116 53.633 9.537 116.928 1.00 24.72 O ATOM 2409 CG2 THR F 116 53.417 9.116 119.331 1.00 22.87 C ATOM 2410 HG1 THR F 116 54.131 10.364 117.147 1.00 0.00 H ATOM 2411 H THR F 116 51.439 8.912 115.751 1.00 0.00 H ATOM 2412 N GLU F 117 50.564 6.989 119.288 1.00 22.80 N ATOM 2413 CA GLU F 117 49.347 6.680 120.007 1.00 24.58 C ATOM 2414 C GLU F 117 49.628 6.783 121.484 1.00 22.19 C ATOM 2415 O GLU F 117 50.625 6.238 121.962 1.00 24.47 O ATOM 2416 CB GLU F 117 48.889 5.266 119.685 1.00 29.43 C ATOM 2417 CG GLU F 117 47.648 4.861 120.489 1.00 35.89 C ATOM 2418 CD GLU F 117 47.305 3.393 120.416 1.00 44.28 C ATOM 2419 OE1 GLU F 117 46.551 3.053 119.497 1.00 59.16 O ATOM 2420 OE2 GLU F 117 47.773 2.574 121.267 1.00 49.31 O ATOM 2421 H GLU F 117 51.429 6.465 119.532 1.00 0.00 H ATOM 2422 N ALA F 118 48.739 7.467 122.188 1.00 19.29 N ATOM 2423 CA ALA F 118 48.614 7.446 123.637 1.00 17.02 C ATOM 2424 C ALA F 118 47.194 7.035 124.092 1.00 15.93 C ATOM 2425 O ALA F 118 46.293 6.944 123.313 1.00 14.84 O ATOM 2426 CB ALA F 118 48.994 8.779 124.218 1.00 17.49 C ATOM 2427 H ALA F 118 48.075 8.069 121.661 1.00 0.00 H ATOM 2428 N VAL F 119 47.026 6.721 125.361 1.00 16.65 N ATOM 2429 CA VAL F 119 45.736 6.225 125.870 1.00 17.97 C ATOM 2430 C VAL F 119 45.422 6.907 127.156 1.00 17.58 C ATOM 2431 O VAL F 119 46.191 6.845 128.095 1.00 18.22 O ATOM 2432 CB VAL F 119 45.698 4.739 126.098 1.00 18.98 C ATOM 2433 CG1 VAL F 119 44.311 4.318 126.534 1.00 20.35 C ATOM 2434 CG2 VAL F 119 46.003 3.992 124.789 1.00 20.73 C ATOM 2435 H VAL F 119 47.824 6.826 126.019 1.00 0.00 H ATOM 2436 N PHE F 120 44.289 7.576 127.217 1.00 16.95 N ATOM 2437 CA PHE F 120 43.900 8.176 128.471 1.00 17.61 C ATOM 2438 C PHE F 120 42.559 7.682 128.905 1.00 19.09 C ATOM 2439 O PHE F 120 41.856 7.011 128.142 1.00 19.86 O ATOM 2440 CB PHE F 120 43.939 9.686 128.406 1.00 17.60 C ATOM 2441 CG PHE F 120 42.901 10.319 127.515 1.00 17.71 C ATOM 2442 CD1 PHE F 120 41.646 10.638 128.006 1.00 17.71 C ATOM 2443 CD2 PHE F 120 43.189 10.641 126.217 1.00 17.91 C ATOM 2444 CE1 PHE F 120 40.690 11.216 127.210 1.00 17.65 C ATOM 2445 CE2 PHE F 120 42.223 11.268 125.409 1.00 18.85 C ATOM 2446 CZ PHE F 120 40.968 11.551 125.910 1.00 17.04 C ATOM 2447 H PHE F 120 43.685 7.670 126.376 1.00 0.00 H ATOM 2448 N ARG F 121 42.198 8.026 130.125 1.00 21.01 N ATOM 2449 CA ARG F 121 40.854 7.715 130.608 1.00 25.22 C ATOM 2450 C ARG F 121 40.099 8.930 131.038 1.00 19.79 C ATOM 2451 O ARG F 121 40.692 9.900 131.494 1.00 17.36 O ATOM 2452 CB ARG F 121 40.886 6.663 131.721 1.00 32.75 C ATOM 2453 CG ARG F 121 41.567 7.064 133.024 1.00 39.93 C ATOM 2454 CD ARG F 121 41.438 5.923 134.038 1.00 50.14 C ATOM 2455 NE ARG F 121 41.584 6.412 135.411 1.00 60.44 N ATOM 2456 CZ ARG F 121 40.660 7.066 136.133 1.00 65.57 C ATOM 2457 NH1 ARG F 121 39.446 7.358 135.658 1.00 65.29 N ATOM 2458 NH2 ARG F 121 40.972 7.452 137.370 1.00 69.64 N ATOM 2459 HE ARG F 121 42.498 6.234 135.875 1.00 0.00 H ATOM 2460 HH12 ARG F 121 38.763 7.867 136.255 1.00 0.00 H ATOM 2461 HH11 ARG F 121 39.184 7.077 134.692 1.00 0.00 H ATOM 2462 HH22 ARG F 121 40.273 7.960 137.948 1.00 0.00 H ATOM 2463 HH21 ARG F 121 41.915 7.245 137.757 1.00 0.00 H ATOM 2464 H ARG F 121 42.871 8.520 130.745 1.00 0.00 H ATOM 2465 N ASP F 122 38.785 8.877 130.916 1.00 20.00 N ATOM 2466 CA ASP F 122 37.938 10.013 131.436 1.00 23.22 C ATOM 2467 C ASP F 122 37.755 9.910 132.986 1.00 25.17 C ATOM 2468 O ASP F 122 38.407 9.082 133.656 1.00 24.04 O ATOM 2469 CB ASP F 122 36.609 10.236 130.634 1.00 20.58 C ATOM 2470 CG ASP F 122 35.535 9.150 130.895 1.00 22.76 C ATOM 2471 OD1 ASP F 122 35.817 8.226 131.688 1.00 20.91 O ATOM 2472 OD2 ASP F 122 34.413 9.213 130.275 1.00 22.62 O ATOM 2473 H ASP F 122 38.336 8.056 130.463 1.00 0.00 H ATOM 2474 N ASP F 123 36.914 10.780 133.542 1.00 28.35 N ATOM 2475 CA ASP F 123 36.631 10.830 134.997 1.00 31.71 C ATOM 2476 C ASP F 123 35.951 9.537 135.521 1.00 32.59 C ATOM 2477 O ASP F 123 36.295 9.077 136.592 1.00 30.68 O ATOM 2478 CB ASP F 123 35.832 12.096 135.347 1.00 35.69 C ATOM 2479 CG ASP F 123 34.456 12.147 134.637 1.00 43.00 C ATOM 2480 OD1 ASP F 123 34.333 11.872 133.372 1.00 38.28 O ATOM 2481 OD2 ASP F 123 33.493 12.484 135.370 1.00 51.42 O ATOM 2482 H ASP F 123 36.430 11.461 132.923 1.00 0.00 H ATOM 2483 N SER F 124 35.105 8.899 134.705 1.00 30.85 N ATOM 2484 CA SER F 124 34.499 7.624 135.058 1.00 28.69 C ATOM 2485 C SER F 124 35.436 6.382 134.971 1.00 29.82 C ATOM 2486 O SER F 124 35.199 5.326 135.603 1.00 30.97 O ATOM 2487 CB SER F 124 33.296 7.388 134.140 1.00 27.74 C ATOM 2488 OG SER F 124 32.307 8.417 134.254 1.00 28.56 O ATOM 2489 HG SER F 124 32.709 9.288 134.011 1.00 0.00 H ATOM 2490 H SER F 124 34.872 9.329 133.787 1.00 0.00 H ATOM 2491 N GLY F 125 36.446 6.464 134.121 1.00 27.40 N ATOM 2492 CA GLY F 125 37.265 5.294 133.747 1.00 24.13 C ATOM 2493 C GLY F 125 37.120 4.806 132.307 1.00 23.40 C ATOM 2494 O GLY F 125 37.709 3.786 131.953 1.00 21.15 O ATOM 2495 H GLY F 125 36.672 7.388 133.700 1.00 0.00 H ATOM 2496 N ASN F 126 36.339 5.485 131.458 1.00 22.86 N ATOM 2497 CA ASN F 126 36.256 5.073 130.052 1.00 21.07 C ATOM 2498 C ASN F 126 37.593 5.456 129.436 1.00 21.16 C ATOM 2499 O ASN F 126 38.191 6.447 129.816 1.00 20.52 O ATOM 2500 CB ASN F 126 35.169 5.793 129.317 1.00 21.82 C ATOM 2501 CG ASN F 126 33.801 5.591 129.938 1.00 22.79 C ATOM 2502 OD1 ASN F 126 33.146 6.548 130.367 1.00 24.26 O ATOM 2503 ND2 ASN F 126 33.374 4.359 129.992 1.00 21.75 N ATOM 2504 HD22 ASN F 126 33.963 3.588 129.617 1.00 0.00 H ATOM 2505 HD21 ASN F 126 32.445 4.148 130.410 1.00 0.00 H ATOM 2506 H ASN F 126 35.792 6.303 131.794 1.00 0.00 H ATOM 2507 N TRP F 127 38.077 4.672 128.501 1.00 20.96 N ATOM 2508 CA TRP F 127 39.344 5.043 127.843 1.00 21.82 C ATOM 2509 C TRP F 127 39.212 5.552 126.387 1.00 20.00 C ATOM 2510 O TRP F 127 38.269 5.214 125.701 1.00 17.91 O ATOM 2511 CB TRP F 127 40.402 3.976 128.004 1.00 22.74 C ATOM 2512 CG TRP F 127 40.090 2.724 127.394 1.00 26.65 C ATOM 2513 CD1 TRP F 127 39.405 1.705 127.956 1.00 27.03 C ATOM 2514 CD2 TRP F 127 40.463 2.304 126.095 1.00 30.53 C ATOM 2515 NE1 TRP F 127 39.322 0.661 127.084 1.00 28.31 N ATOM 2516 CE2 TRP F 127 39.960 1.001 125.923 1.00 30.99 C ATOM 2517 CE3 TRP F 127 41.187 2.898 125.051 1.00 33.54 C ATOM 2518 CZ2 TRP F 127 40.138 0.269 124.729 1.00 33.06 C ATOM 2519 CZ3 TRP F 127 41.379 2.171 123.868 1.00 36.40 C ATOM 2520 CH2 TRP F 127 40.854 0.857 123.725 1.00 34.07 C ATOM 2521 HE1 TRP F 127 38.850 -0.247 127.271 1.00 0.00 H ATOM 2522 H TRP F 127 37.575 3.803 128.228 1.00 0.00 H ATOM 2523 N PHE F 128 40.129 6.445 125.997 1.00 19.28 N ATOM 2524 CA PHE F 128 40.216 6.959 124.638 1.00 20.19 C ATOM 2525 C PHE F 128 41.619 6.725 124.159 1.00 19.84 C ATOM 2526 O PHE F 128 42.561 7.045 124.814 1.00 20.13 O ATOM 2527 CB PHE F 128 40.011 8.482 124.560 1.00 21.93 C ATOM 2528 CG PHE F 128 38.609 8.906 124.741 1.00 24.65 C ATOM 2529 CD1 PHE F 128 37.812 9.144 123.658 1.00 26.94 C ATOM 2530 CD2 PHE F 128 38.059 8.963 125.994 1.00 25.42 C ATOM 2531 CE1 PHE F 128 36.473 9.480 123.812 1.00 29.39 C ATOM 2532 CE2 PHE F 128 36.748 9.332 126.160 1.00 28.98 C ATOM 2533 CZ PHE F 128 35.940 9.571 125.068 1.00 28.50 C ATOM 2534 H PHE F 128 40.814 6.789 126.700 1.00 0.00 H ATOM 2535 N SER F 129 41.750 6.279 122.934 1.00 20.88 N ATOM 2536 CA SER F 129 43.037 6.316 122.304 1.00 21.91 C ATOM 2537 C SER F 129 43.196 7.713 121.627 1.00 20.14 C ATOM 2538 O SER F 129 42.251 8.253 121.083 1.00 19.99 O ATOM 2539 CB SER F 129 43.164 5.049 121.457 1.00 23.75 C ATOM 2540 OG SER F 129 43.752 5.349 120.266 1.00 34.36 O ATOM 2541 HG SER F 129 43.832 4.526 119.722 1.00 0.00 H ATOM 2542 H SER F 129 40.927 5.901 122.423 1.00 0.00 H ATOM 2543 N LEU F 130 44.375 8.308 121.768 1.00 20.06 N ATOM 2544 CA LEU F 130 44.757 9.587 121.221 1.00 20.47 C ATOM 2545 C LEU F 130 45.860 9.411 120.152 1.00 22.08 C ATOM 2546 O LEU F 130 46.976 8.962 120.456 1.00 21.98 O ATOM 2547 CB LEU F 130 45.316 10.390 122.358 1.00 22.04 C ATOM 2548 CG LEU F 130 45.746 11.814 122.127 1.00 24.03 C ATOM 2549 CD1 LEU F 130 44.532 12.643 121.719 1.00 26.54 C ATOM 2550 CD2 LEU F 130 46.360 12.365 123.399 1.00 23.58 C ATOM 2551 H LEU F 130 45.092 7.803 122.327 1.00 0.00 H ATOM 2552 N THR F 131 45.588 9.848 118.942 1.00 21.18 N ATOM 2553 CA THR F 131 46.336 9.431 117.769 1.00 25.48 C ATOM 2554 C THR F 131 46.688 10.584 116.781 1.00 25.19 C ATOM 2555 O THR F 131 45.945 11.549 116.645 1.00 20.58 O ATOM 2556 CB THR F 131 45.520 8.312 117.109 1.00 28.35 C ATOM 2557 OG1 THR F 131 46.191 7.070 117.205 1.00 38.37 O ATOM 2558 CG2 THR F 131 45.154 8.567 115.754 1.00 29.76 C ATOM 2559 HG1 THR F 131 45.645 6.367 116.773 1.00 0.00 H ATOM 2560 H THR F 131 44.804 10.521 118.820 1.00 0.00 H ATOM 2561 N ASP F 132 47.790 10.345 116.079 1.00 25.54 N ATOM 2562 CA ASP F 132 48.549 11.179 115.131 1.00 29.61 C ATOM 2563 C ASP F 132 48.794 10.437 113.834 1.00 30.36 C ATOM 2564 O ASP F 132 48.890 9.217 113.905 1.00 28.98 O ATOM 2565 CB ASP F 132 50.021 11.090 115.581 1.00 35.38 C ATOM 2566 CG ASP F 132 50.527 12.302 116.023 1.00 36.50 C ATOM 2567 OD1 ASP F 132 49.693 13.224 116.105 1.00 46.27 O ATOM 2568 OD2 ASP F 132 51.713 12.300 116.376 1.00 35.53 O ATOM 2569 H ASP F 132 48.190 9.396 116.225 1.00 0.00 H ATOM 2570 N ALA F 133 49.092 11.146 112.730 1.00 29.28 N ATOM 2571 CA ALA F 133 49.762 10.542 111.525 1.00 32.24 C ATOM 2572 C ALA F 133 51.250 10.862 111.593 1.00 35.14 C ATOM 2573 O ALA F 133 52.011 10.794 110.628 1.00 38.98 O ATOM 2574 CB ALA F 133 49.169 11.093 110.256 1.00 34.94 C ATOM 2575 H ALA F 133 48.848 12.157 112.708 1.00 0.00 H ATOM 2576 N ARG F 134 51.587 11.416 112.728 1.00 37.91 N ATOM 2577 CA ARG F 134 52.810 11.257 113.412 1.00 34.22 C ATOM 2578 C ARG F 134 53.553 12.555 113.725 1.00 35.15 C ATOM 2579 O ARG F 134 54.615 12.488 114.300 1.00 47.72 O ATOM 2580 CB ARG F 134 53.597 10.180 112.817 1.00 35.32 C ATOM 2581 CG ARG F 134 54.625 9.575 113.702 1.00 35.57 C ATOM 2582 CD ARG F 134 55.842 9.657 112.829 1.00 33.35 C ATOM 2583 NE ARG F 134 57.029 9.085 113.384 1.00 36.15 N ATOM 2584 CZ ARG F 134 57.773 9.664 114.317 1.00 40.43 C ATOM 2585 NH1 ARG F 134 57.394 10.825 114.875 1.00 43.54 N ATOM 2586 NH2 ARG F 134 58.904 9.068 114.712 1.00 43.71 N ATOM 2587 HE ARG F 134 57.329 8.153 113.033 1.00 0.00 H ATOM 2588 HH12 ARG F 134 57.986 11.269 115.606 1.00 0.00 H ATOM 2589 HH11 ARG F 134 56.508 11.281 114.577 1.00 0.00 H ATOM 2590 HH22 ARG F 134 59.497 9.511 115.443 1.00 0.00 H ATOM 2591 HH21 ARG F 134 59.190 8.162 114.288 1.00 0.00 H ATOM 2592 H ARG F 134 50.881 12.038 113.172 1.00 0.00 H ATOM 2593 N GLY F 135 52.972 13.738 113.453 1.00 33.18 N ATOM 2594 CA GLY F 135 53.374 14.984 114.162 1.00 32.74 C ATOM 2595 C GLY F 135 52.740 16.290 113.702 1.00 32.15 C ATOM 2596 O GLY F 135 53.451 17.276 113.482 1.00 34.70 O ATOM 2597 H GLY F 135 52.225 13.783 112.731 1.00 0.00 H TER 2598 GLY F 135 HETATM 2599 O HOH 1 27.847 -10.002 116.694 1.00 36.61 O HETATM 2600 O HOH 2 9.839 10.867 110.502 1.00 39.83 O HETATM 2601 O HOH 3 18.838 -6.109 114.090 1.00 35.12 O HETATM 2602 O HOH 4 34.692 -1.992 125.235 1.00 34.18 O HETATM 2603 O HOH 5 42.255 16.420 114.032 1.00 31.19 O HETATM 2604 O HOH 6 34.259 -11.117 107.264 1.00 36.45 O HETATM 2605 O HOH 7 29.310 4.067 121.856 1.00 23.59 O HETATM 2606 O HOH 8 13.619 17.206 106.168 1.00 37.36 O HETATM 2607 O HOH 9 24.258 -4.255 123.907 1.00 30.81 O HETATM 2608 O HOH 10 43.284 -7.048 104.106 1.00 29.93 O HETATM 2609 O HOH 11 19.234 -3.925 128.220 1.00 31.99 O HETATM 2610 O HOH 12 39.747 -3.355 123.468 1.00 44.87 O HETATM 2611 O HOH 13 8.942 15.097 117.126 1.00 42.04 O HETATM 2612 O HOH 14 31.074 -11.588 107.133 1.00 48.18 O HETATM 2613 O HOH 15 38.413 -4.274 114.595 1.00 27.41 O HETATM 2614 O HOH 16 7.535 -6.084 111.331 1.00 51.67 O HETATM 2615 O HOH 17 27.435 -6.435 116.273 1.00 29.89 O HETATM 2616 O HOH 18 42.139 -2.841 105.180 1.00 38.37 O HETATM 2617 O HOH 19 15.514 9.162 105.795 1.00 38.64 O HETATM 2618 O HOH 20 39.838 -9.477 116.291 1.00 44.58 O HETATM 2619 O HOH 21 37.116 -12.525 112.608 1.00 41.18 O HETATM 2620 O HOH 22 27.039 2.823 125.876 1.00 26.25 O HETATM 2621 O HOH 23 32.895 12.642 107.465 1.00 36.95 O HETATM 2622 O HOH 24 46.067 22.116 117.235 1.00 49.39 O HETATM 2623 O HOH 25 39.057 -6.886 117.618 1.00 30.95 O HETATM 2624 O HOH 26 42.903 8.595 113.524 1.00 32.38 O HETATM 2625 O HOH 27 29.595 1.378 121.858 1.00 31.52 O HETATM 2626 O HOH 28 32.368 -1.478 100.928 1.00 38.58 O HETATM 2627 O HOH 29 38.677 2.636 122.461 1.00 42.95 O HETATM 2628 O HOH 30 34.950 -12.909 116.099 1.00 43.72 O HETATM 2629 O HOH 31 10.520 17.286 103.088 1.00 37.96 O HETATM 2630 O HOH 32 39.738 -4.021 117.014 1.00 41.98 O HETATM 2631 O HOH 33 28.448 -10.338 138.092 1.00 41.71 O HETATM 2632 O HOH 34 34.922 -5.862 101.282 1.00 33.84 O HETATM 2633 O HOH 35 30.592 -9.998 104.743 1.00 50.67 O HETATM 2634 O HOH 36 32.879 -4.780 100.493 1.00 40.31 O HETATM 2635 O HOH 37 40.765 19.170 110.114 1.00 44.64 O HETATM 2636 O HOH 38 18.617 7.154 133.467 1.00 37.00 O HETATM 2637 O HOH 39 32.925 10.157 132.346 1.00 24.67 O HETATM 2638 O HOH 40 47.184 21.932 129.820 1.00 23.80 O HETATM 2639 O HOH 41 35.015 24.155 127.160 1.00 43.54 O HETATM 2640 O HOH 42 57.045 15.155 126.473 1.00 30.05 O HETATM 2641 O HOH 43 53.475 13.122 118.038 1.00 32.48 O HETATM 2642 O HOH 44 51.701 9.586 131.762 1.00 32.32 O HETATM 2643 O HOH 45 32.118 3.844 121.592 1.00 26.74 O HETATM 2644 O HOH 46 26.723 20.190 135.568 1.00 44.49 O HETATM 2645 O HOH 47 41.788 11.092 133.538 1.00 21.77 O HETATM 2646 O HOH 48 51.317 20.956 112.532 1.00 44.23 O HETATM 2647 O HOH 49 31.761 10.620 136.015 1.00 38.32 O HETATM 2648 O HOH 50 51.188 20.842 124.682 1.00 32.61 O HETATM 2649 O HOH 51 54.865 6.080 114.268 1.00 36.62 O HETATM 2650 O HOH 52 46.950 8.129 112.414 1.00 35.05 O HETATM 2651 O HOH 53 55.435 1.724 126.142 1.00 40.85 O HETATM 2652 O HOH 54 43.421 20.646 127.861 1.00 31.16 O HETATM 2653 O HOH 55 21.618 12.057 107.420 1.00 38.04 O HETATM 2654 O HOH 56 23.104 12.873 128.126 1.00 26.52 O HETATM 2655 O HOH 57 35.211 1.904 130.995 1.00 23.62 O HETATM 2656 O HOH 58 48.155 18.029 118.673 1.00 24.45 O HETATM 2657 O HOH 59 17.129 9.556 133.243 1.00 50.42 O HETATM 2658 O HOH 60 42.550 21.294 124.683 1.00 42.97 O HETATM 2659 O HOH 61 51.142 19.175 110.452 1.00 42.65 O HETATM 2660 O HOH 62 19.622 20.273 131.317 1.00 33.18 O HETATM 2661 O HOH 63 57.281 1.816 119.480 1.00 33.71 O HETATM 2662 O HOH 64 18.859 17.140 134.940 1.00 34.21 O HETATM 2663 O HOH 65 16.895 14.485 136.201 1.00 52.64 O HETATM 2664 O HOH 66 55.806 10.088 129.961 1.00 43.33 O HETATM 2665 O HOH 67 21.367 10.237 130.797 1.00 23.61 O HETATM 2666 O HOH 68 31.397 4.385 124.782 1.00 35.81 O HETATM 2667 O HOH 69 20.014 11.795 132.637 1.00 29.18 O HETATM 2668 O HOH 70 18.876 13.577 135.126 1.00 44.72 O HETATM 2669 O HOH 71 29.778 20.477 135.652 1.00 35.29 O HETATM 2670 O HOH 72 37.096 18.554 113.170 1.00 37.99 O HETATM 2671 O HOH 73 14.068 9.978 133.282 1.00 45.21 O HETATM 2672 O HOH 74 56.762 14.436 113.340 1.00 28.61 O HETATM 2673 O HOH 75 45.335 14.185 138.134 1.00 37.97 O HETATM 2674 O HOH 76 52.880 18.646 131.061 1.00 33.32 O HETATM 2675 O HOH 77 32.713 -0.781 140.409 1.00 47.20 O HETATM 2676 O HOH 78 48.466 14.219 112.107 1.00 44.21 O HETATM 2677 O HOH 79 57.890 4.241 121.001 1.00 23.72 O HETATM 2678 O HOH 80 34.445 8.324 139.199 1.00 35.08 O HETATM 2679 O HOH 81 26.568 25.160 129.105 1.00 36.38 O HETATM 2680 O HOH 82 47.055 23.287 132.470 1.00 34.76 O HETATM 2681 O HOH 83 21.664 10.804 127.749 1.00 40.98 O HETATM 2682 O HOH 84 32.662 10.063 138.680 1.00 38.97 O HETATM 2683 O HOH 85 54.398 14.785 137.555 1.00 43.04 O HETATM 2684 O HOH 86 61.643 5.900 119.771 1.00 36.17 O HETATM 2685 O HOH 87 56.667 9.190 134.433 1.00 49.13 O HETATM 2686 O HOH 88 45.994 0.079 126.469 1.00 37.00 O HETATM 2687 O HOH 89 44.459 22.792 128.948 1.00 31.46 O HETATM 2688 O HOH 90 50.113 22.935 126.085 1.00 30.67 O HETATM 2689 O HOH 91 23.588 12.129 140.683 1.00 37.47 O HETATM 2690 N1 RBF A 92 44.369 1.736 115.889 1.00 -0.25 N HETATM 2691 C2 RBF A 92 44.106 3.072 115.845 1.00 0.24 C HETATM 2692 O2 RBF A 92 43.735 3.561 116.946 1.00 -0.39 O HETATM 2693 N3 RBF A 92 44.237 3.804 114.698 1.00 -0.19 N HETATM 2694 C4 RBF A 92 44.651 3.188 113.568 1.00 0.27 C HETATM 2695 O4 RBF A 92 44.815 3.800 112.506 1.00 -0.37 O HETATM 2696 C4A RBF A 92 44.946 1.729 113.565 1.00 0.21 C HETATM 2697 N5 RBF A 92 45.349 1.127 112.442 1.00 -0.24 N HETATM 2698 C5A RBF A 92 45.626 -0.180 112.498 1.00 0.09 C HETATM 2699 C6 RBF A 92 46.045 -0.728 111.312 1.00 -0.04 C HETATM 2700 C7 RBF A 92 46.336 -2.089 111.285 1.00 -0.04 C HETATM 2701 C7M RBF A 92 46.858 -2.535 109.969 1.00 -0.04 C HETATM 2702 H3 RBF A 92 46.846 -1.690 109.265 1.00 0.04 H HETATM 2703 H4 RBF A 92 46.225 -3.346 109.579 1.00 0.04 H HETATM 2704 H5 RBF A 92 47.889 -2.899 110.088 1.00 0.04 H HETATM 2705 C8 RBF A 92 46.205 -2.983 112.499 1.00 -0.04 C HETATM 2706 C8M RBF A 92 46.514 -4.473 112.515 1.00 -0.03 C HETATM 2707 H6 RBF A 92 46.333 -4.874 113.523 1.00 0.04 H HETATM 2708 H7 RBF A 92 47.567 -4.632 112.240 1.00 0.04 H HETATM 2709 H8 RBF A 92 45.865 -4.990 111.793 1.00 0.04 H HETATM 2710 C9 RBF A 92 45.776 -2.404 113.695 1.00 -0.03 C HETATM 2711 C9A RBF A 92 45.478 -1.031 113.752 1.00 0.10 C HETATM 2712 N10 RBF A 92 45.039 -0.430 114.958 1.00 -0.21 N HETATM 2713 C10 RBF A 92 44.785 0.980 114.845 1.00 0.19 C HETATM 2714 C1' RBF A 92 44.921 -1.299 116.192 1.00 0.09 C HETATM 2715 C2' RBF A 92 44.396 -0.836 117.591 1.00 0.11 C HETATM 2716 O2' RBF A 92 44.513 0.561 117.905 1.00 -0.39 O HETATM 2717 H13 RBF A 92 44.025 1.069 117.268 1.00 0.21 H HETATM 2718 C3' RBF A 92 45.102 -1.582 118.751 1.00 0.11 C HETATM 2719 O3' RBF A 92 45.136 -2.996 118.466 1.00 -0.39 O HETATM 2720 H15 RBF A 92 45.569 -3.451 119.178 1.00 0.21 H HETATM 2721 C4' RBF A 92 44.436 -1.337 120.122 1.00 0.11 C HETATM 2722 O4' RBF A 92 44.096 0.047 120.394 1.00 -0.39 O HETATM 2723 H17 RBF A 92 43.488 0.358 119.734 1.00 0.21 H HETATM 2724 C5' RBF A 92 45.320 -1.860 121.259 1.00 0.07 C HETATM 2725 O5' RBF A 92 44.463 -2.288 122.327 1.00 -0.39 O HETATM 2726 H20 RBF A 92 44.992 -2.617 123.044 1.00 0.21 H HETATM 2727 H18 RBF A 92 45.986 -1.059 121.613 1.00 0.06 H HETATM 2728 H19 RBF A 92 45.924 -2.708 120.903 1.00 0.06 H HETATM 2729 H16 RBF A 92 43.498 -1.911 120.128 1.00 0.06 H HETATM 2730 H14 RBF A 92 46.137 -1.213 118.809 1.00 0.06 H HETATM 2731 H12 RBF A 92 43.326 -1.089 117.615 1.00 0.06 H HETATM 2732 H10 RBF A 92 45.937 -1.680 116.376 1.00 0.06 H HETATM 2733 H11 RBF A 92 44.265 -2.131 115.898 1.00 0.06 H HETATM 2734 H9 RBF A 92 45.672 -3.016 114.584 1.00 0.05 H HETATM 2735 H2 RBF A 92 46.147 -0.118 110.421 1.00 0.06 H HETATM 2736 H1 RBF A 92 44.029 4.782 114.695 1.00 0.22 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 317 310 318 325 CONECT 318 317 319 321 CONECT 319 318 320 326 CONECT 320 319 CONECT 321 318 322 CONECT 322 321 323 CONECT 323 322 324 CONECT 324 323 CONECT 325 317 CONECT 335 328 336 343 CONECT 336 335 337 339 CONECT 337 336 338 344 CONECT 338 337 CONECT 339 336 340 CONECT 340 339 341 CONECT 341 340 342 CONECT 342 341 CONECT 343 335 CONECT 502 494 503 510 CONECT 503 502 504 506 CONECT 504 503 505 511 CONECT 505 504 CONECT 506 503 507 CONECT 507 506 508 CONECT 508 507 509 CONECT 509 508 CONECT 510 502 CONECT 1300 1301 1307 1308 1309 CONECT 1307 1300 CONECT 1308 1300 CONECT 1309 1300 CONECT 1616 1609 1617 1624 CONECT 1617 1616 1618 1620 CONECT 1618 1617 1619 1625 CONECT 1619 1618 CONECT 1620 1617 1621 CONECT 1621 1620 1622 CONECT 1622 1621 1623 CONECT 1623 1622 CONECT 1624 1616 CONECT 1634 1627 1635 1642 CONECT 1635 1634 1636 1638 CONECT 1636 1635 1637 1643 CONECT 1637 1636 CONECT 1638 1635 1639 CONECT 1639 1638 1640 CONECT 1640 1639 1641 CONECT 1641 1640 CONECT 1642 1634 CONECT 1801 1793 1802 1809 CONECT 1802 1801 1803 1805 CONECT 1803 1802 1804 1810 CONECT 1804 1803 CONECT 1805 1802 1806 CONECT 1806 1805 1807 CONECT 1807 1806 1808 CONECT 1808 1807 CONECT 1809 1801 CONECT 2690 2691 2713 CONECT 2691 2690 2692 2693 CONECT 2692 2691 CONECT 2693 2691 2694 2736 CONECT 2694 2693 2695 2696 CONECT 2695 2694 CONECT 2696 2694 2697 2713 CONECT 2697 2696 2698 CONECT 2698 2697 2699 2711 CONECT 2699 2698 2700 2735 CONECT 2700 2699 2701 2705 CONECT 2701 2700 2702 2703 2704 CONECT 2702 2701 CONECT 2703 2701 CONECT 2704 2701 CONECT 2705 2700 2706 2710 CONECT 2706 2705 2707 2708 2709 CONECT 2707 2706 CONECT 2708 2706 CONECT 2709 2706 CONECT 2710 2705 2711 2734 CONECT 2711 2698 2710 2712 CONECT 2712 2711 2713 2714 CONECT 2713 2690 2696 2712 CONECT 2714 2712 2715 2732 2733 CONECT 2715 2714 2716 2718 2731 CONECT 2716 2715 2717 CONECT 2717 2716 CONECT 2718 2715 2719 2721 2730 CONECT 2719 2718 2720 CONECT 2720 2719 CONECT 2721 2718 2722 2724 2729 CONECT 2722 2721 2723 CONECT 2723 2722 CONECT 2724 2721 2725 2727 2728 CONECT 2725 2724 2726 CONECT 2726 2725 CONECT 2727 2724 CONECT 2728 2724 CONECT 2729 2721 CONECT 2730 2718 CONECT 2731 2715 CONECT 2732 2714 CONECT 2733 2714 CONECT 2734 2710 CONECT 2735 2699 CONECT 2736 2693 MASTER 0 0 0 0 0 0 0 0 2734 2 109 22 END
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Related entries of code: 5umw
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1kyv
RCSB PDB
PDBbind
RBF
1l5r
RCSB PDB
PDBbind
RBF
2a58
RCSB PDB
PDBbind
RBF
2ccb
RCSB PDB
PDBbind
RBF
2fl5
RCSB PDB
PDBbind
RBF
2vx9
RCSB PDB
PDBbind
RBF
2vxa
RCSB PDB
PDBbind
RBF
4d1y
RCSB PDB
PDBbind
RBF
4zzd
RCSB PDB
PDBbind
RBF
5umx
RCSB PDB
PDBbind
RBF
Entry Information
PDB ID
5umw
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Glyoxalase/bleomycin resisance protein/dioxygenase
Ligand Name
RBF
EC.Number
E.C.-.-.-.-
Resolution
2.27(Å)
Affinity (Kd/Ki/IC50)
Kd=59.5uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Cell Chem Biol Vol. 25: pp. 1075-1085.e4
Ligand Properties
Formula
C
1
7
H
2
0
N
4
O
6
Molecular Weight
376.364
Exact Mass
376.138
No. of atoms
47
No. of bonds
49
Polar Surface Area
161.56
LOGP Value
-1.30 (
Computed with XLOGP3
)
-1.68 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 3
Canonical SMILES
OC[C@H]([C@H]([C@H](Cn1c2cc(C)c(cc2nc2c1nc(=O)[nH]c2=O)C)O)O)O
InChI String
InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1
Links to External Databases
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Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
A0A125SA26
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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