Browse entries in the PDBbind-CN Database
HEADER 6BBX_COMPLEX COMPND 6BBX_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 121 HIS MET ALA ILE SER HIS VAL GLN LEU PHE SER VAL PRO SEQRES 2 A 121 VAL SER ASP GLN GLU LYS ALA LYS ASP PHE TYR VAL GLU SEQRES 3 A 121 THR VAL GLY PHE ASP LEU LEU ALA ASP GLN PRO GLY VAL SEQRES 4 A 121 HIS GLY ARG TRP LEU GLN VAL ALA PRO LYS GLY ALA ASP SEQRES 5 A 121 THR SER LEU VAL LEU VAL ASP TRP PHE PRO THR MET PRO SEQRES 6 A 121 PRO GLY SER LEU ARG GLY LEU LEU LEU ARG THR ASP ASP SEQRES 7 A 121 VAL ASP ALA ASP CYS ALA ARG LEU GLN GLU ARG GLY VAL SEQRES 8 A 121 ALA VAL ASP GLY PRO LYS ASN THR PRO TRP GLY ARG GLN SEQRES 9 A 121 ALA MET PHE SER ASP PRO ASP GLY ASN VAL ILE GLY LEU SEQRES 10 A 121 ASN GLN PRO SER SEQRES 1 B 121 HIS MET ALA ILE SER HIS VAL GLN LEU PHE SER VAL PRO SEQRES 2 B 121 VAL SER ASP GLN GLU LYS ALA LYS ASP PHE TYR VAL GLU SEQRES 3 B 121 THR VAL GLY PHE ASP LEU LEU ALA ASP GLN PRO GLY VAL SEQRES 4 B 121 HIS GLY ARG TRP LEU GLN VAL ALA PRO LYS GLY ALA ASP SEQRES 5 B 121 THR SER LEU VAL LEU VAL ASP TRP PHE PRO THR MET PRO SEQRES 6 B 121 PRO GLY SER LEU ARG GLY LEU LEU LEU ARG THR ASP ASP SEQRES 7 B 121 VAL ASP ALA ASP CYS ALA ARG LEU GLN GLU ARG GLY VAL SEQRES 8 B 121 ALA VAL ASP GLY PRO LYS ASN THR PRO TRP GLY ARG GLN SEQRES 9 B 121 ALA MET PHE SER ASP PRO ASP GLY ASN VAL ILE GLY LEU SEQRES 10 B 121 ASN GLN PRO SER HET D A 77 62 ATOM 1 N HIS A 0 -25.741 -13.219 -10.206 1.00 49.72 N ATOM 2 CA HIS A 0 -25.289 -11.824 -10.531 1.00 49.31 C ATOM 3 C HIS A 0 -24.935 -11.056 -9.241 1.00 40.66 C ATOM 4 O HIS A 0 -25.821 -10.723 -8.458 1.00 39.73 O ATOM 5 CB HIS A 0 -26.373 -11.093 -11.352 1.00 55.09 C ATOM 6 CG HIS A 0 -25.848 -9.979 -12.204 1.00 60.04 C ATOM 7 ND1 HIS A 0 -26.347 -8.693 -12.142 1.00 63.02 N ATOM 8 CD2 HIS A 0 -24.871 -9.960 -13.142 1.00 65.03 C ATOM 9 CE1 HIS A 0 -25.696 -7.929 -13.002 1.00 66.06 C ATOM 10 NE2 HIS A 0 -24.797 -8.675 -13.624 1.00 68.78 N ATOM 11 HN3 HIS A 0 -26.582 -13.176 -9.596 1.00 0.00 H ATOM 12 HN2 HIS A 0 -24.978 -13.723 -9.711 1.00 0.00 H ATOM 13 HN1 HIS A 0 -25.975 -13.720 -11.087 1.00 0.00 H ATOM 14 N MET A 1 -23.648 -10.765 -9.034 1.00 34.53 N ATOM 15 CA MET A 1 -23.161 -10.261 -7.715 1.00 30.79 C ATOM 16 C MET A 1 -23.762 -8.919 -7.345 1.00 25.37 C ATOM 17 O MET A 1 -24.126 -8.147 -8.210 1.00 23.82 O ATOM 18 CB MET A 1 -21.647 -10.088 -7.667 1.00 29.57 C ATOM 19 CG MET A 1 -20.837 -11.311 -8.030 1.00 29.89 C ATOM 20 SD MET A 1 -20.889 -12.669 -6.883 1.00 27.20 S ATOM 21 CE MET A 1 -19.590 -12.190 -5.763 1.00 26.54 C ATOM 22 H MET A 1 -22.968 -10.893 -9.811 1.00 0.00 H ATOM 23 N ALA A 2 -23.856 -8.664 -6.048 1.00 23.76 N ATOM 24 CA ALA A 2 -24.425 -7.424 -5.542 1.00 22.07 C ATOM 25 C ALA A 2 -23.366 -6.353 -5.224 1.00 20.62 C ATOM 26 O ALA A 2 -23.657 -5.398 -4.513 1.00 18.52 O ATOM 27 CB ALA A 2 -25.295 -7.721 -4.343 1.00 22.17 C ATOM 28 H ALA A 2 -23.512 -9.373 -5.370 1.00 0.00 H ATOM 29 N ILE A 3 -22.163 -6.479 -5.810 1.00 20.29 N ATOM 30 CA ILE A 3 -21.096 -5.526 -5.573 1.00 19.61 C ATOM 31 C ILE A 3 -21.424 -4.248 -6.331 1.00 19.48 C ATOM 32 O ILE A 3 -21.591 -4.294 -7.536 1.00 19.58 O ATOM 33 CB ILE A 3 -19.735 -6.031 -6.078 1.00 19.63 C ATOM 34 CG1 ILE A 3 -19.311 -7.278 -5.322 1.00 19.77 C ATOM 35 CG2 ILE A 3 -18.656 -4.966 -5.878 1.00 19.82 C ATOM 36 CD1 ILE A 3 -18.236 -8.059 -6.017 1.00 19.50 C ATOM 37 H ILE A 3 -21.993 -7.281 -6.450 1.00 0.00 H ATOM 38 N SER A 4 -21.480 -3.115 -5.619 1.00 19.71 N ATOM 39 CA SER A 4 -21.801 -1.800 -6.218 1.00 18.78 C ATOM 40 C SER A 4 -20.573 -0.956 -6.532 1.00 18.24 C ATOM 41 O SER A 4 -20.565 -0.246 -7.544 1.00 19.26 O ATOM 42 CB SER A 4 -22.740 -1.002 -5.311 1.00 18.37 C ATOM 43 OG SER A 4 -22.183 -0.863 -4.017 1.00 19.22 O ATOM 44 HG SER A 4 -21.317 -0.388 -4.081 1.00 0.00 H ATOM 45 H SER A 4 -21.289 -3.161 -4.598 1.00 0.00 H ATOM 46 N HIS A 5 -19.560 -1.000 -5.669 1.00 16.48 N ATOM 47 CA HIS A 5 -18.354 -0.218 -5.860 1.00 15.94 C ATOM 48 C HIS A 5 -17.249 -0.592 -4.888 1.00 15.40 C ATOM 49 O HIS A 5 -17.474 -1.318 -3.919 1.00 14.60 O ATOM 50 CB HIS A 5 -18.656 1.296 -5.738 1.00 16.28 C ATOM 51 CG HIS A 5 -19.169 1.717 -4.396 1.00 15.99 C ATOM 52 ND1 HIS A 5 -20.481 1.547 -4.016 1.00 16.38 N ATOM 53 CD2 HIS A 5 -18.545 2.308 -3.346 1.00 15.80 C ATOM 54 CE1 HIS A 5 -20.646 2.025 -2.794 1.00 15.94 C ATOM 55 NE2 HIS A 5 -19.489 2.500 -2.371 1.00 15.66 N ATOM 56 H HIS A 5 -19.636 -1.614 -4.833 1.00 0.00 H ATOM 57 N VAL A 6 -16.051 -0.061 -5.145 1.00 15.00 N ATOM 58 CA VAL A 6 -14.951 -0.158 -4.176 1.00 14.43 C ATOM 59 C VAL A 6 -15.209 0.837 -3.053 1.00 13.63 C ATOM 60 O VAL A 6 -15.257 2.058 -3.265 1.00 14.41 O ATOM 61 CB VAL A 6 -13.581 0.170 -4.797 1.00 14.43 C ATOM 62 CG1 VAL A 6 -12.476 -0.031 -3.775 1.00 14.06 C ATOM 63 CG2 VAL A 6 -13.321 -0.704 -6.017 1.00 14.60 C ATOM 64 H VAL A 6 -15.894 0.430 -6.048 1.00 0.00 H ATOM 65 N GLN A 7 -15.325 0.318 -1.850 1.00 13.45 N ATOM 66 CA GLN A 7 -15.555 1.161 -0.700 1.00 12.70 C ATOM 67 C GLN A 7 -14.269 1.895 -0.377 1.00 12.01 C ATOM 68 O GLN A 7 -14.277 3.105 -0.110 1.00 11.27 O ATOM 69 CB GLN A 7 -16.007 0.337 0.477 1.00 13.16 C ATOM 70 CG GLN A 7 -16.460 1.189 1.674 1.00 13.69 C ATOM 71 CD GLN A 7 -16.911 0.380 2.877 1.00 15.04 C ATOM 72 OE1 GLN A 7 -16.909 0.891 3.990 1.00 17.83 O ATOM 73 NE2 GLN A 7 -17.257 -0.873 2.683 1.00 15.01 N ATOM 74 HE22 GLN A 7 -17.247 -1.273 1.723 1.00 0.00 H ATOM 75 HE21 GLN A 7 -17.541 -1.465 3.490 1.00 0.00 H ATOM 76 H GLN A 7 -15.250 -0.712 -1.725 1.00 0.00 H ATOM 77 N LEU A 8 -13.174 1.154 -0.361 1.00 11.76 N ATOM 78 CA LEU A 8 -11.874 1.742 -0.035 1.00 11.62 C ATOM 79 C LEU A 8 -10.736 0.835 -0.407 1.00 11.04 C ATOM 80 O LEU A 8 -10.917 -0.374 -0.512 1.00 11.08 O ATOM 81 CB LEU A 8 -11.782 2.047 1.469 1.00 11.60 C ATOM 82 CG LEU A 8 -12.156 0.946 2.498 1.00 11.65 C ATOM 83 CD1 LEU A 8 -10.991 0.096 2.928 1.00 11.32 C ATOM 84 CD2 LEU A 8 -12.761 1.625 3.724 1.00 11.83 C ATOM 85 H LEU A 8 -13.237 0.140 -0.583 1.00 0.00 H ATOM 86 N PHE A 9 -9.567 1.435 -0.594 1.00 10.92 N ATOM 87 CA PHE A 9 -8.301 0.690 -0.792 1.00 11.23 C ATOM 88 C PHE A 9 -7.227 1.337 0.086 1.00 11.58 C ATOM 89 O PHE A 9 -7.460 2.413 0.643 1.00 11.17 O ATOM 90 CB PHE A 9 -7.893 0.619 -2.262 1.00 10.84 C ATOM 91 CG PHE A 9 -7.609 1.951 -2.874 1.00 10.88 C ATOM 92 CD1 PHE A 9 -8.649 2.757 -3.332 1.00 10.94 C ATOM 93 CD2 PHE A 9 -6.307 2.426 -2.959 1.00 10.74 C ATOM 94 CE1 PHE A 9 -8.391 4.013 -3.876 1.00 10.72 C ATOM 95 CE2 PHE A 9 -6.054 3.672 -3.486 1.00 10.87 C ATOM 96 CZ PHE A 9 -7.100 4.466 -3.944 1.00 10.74 C ATOM 97 H PHE A 9 -9.538 2.475 -0.602 1.00 0.00 H ATOM 98 N SER A 10 -6.058 0.685 0.191 1.00 12.09 N ATOM 99 CA SER A 10 -5.046 1.077 1.168 1.00 12.27 C ATOM 100 C SER A 10 -3.796 1.627 0.540 1.00 11.87 C ATOM 101 O SER A 10 -3.342 1.142 -0.446 1.00 13.16 O ATOM 102 CB SER A 10 -4.717 -0.128 2.073 1.00 12.33 C ATOM 103 OG SER A 10 -5.863 -0.534 2.825 1.00 11.87 O ATOM 104 HG SER A 10 -6.589 -0.792 2.204 1.00 0.00 H ATOM 105 H SER A 10 -5.868 -0.120 -0.440 1.00 0.00 H ATOM 106 N VAL A 11 -3.226 2.643 1.162 1.00 12.38 N ATOM 107 CA VAL A 11 -1.963 3.263 0.756 1.00 12.10 C ATOM 108 C VAL A 11 -0.953 3.065 1.939 1.00 12.41 C ATOM 109 O VAL A 11 -1.216 3.485 3.076 1.00 11.41 O ATOM 110 CB VAL A 11 -2.195 4.756 0.483 1.00 12.32 C ATOM 111 CG1 VAL A 11 -0.922 5.455 0.031 1.00 12.87 C ATOM 112 CG2 VAL A 11 -3.280 4.941 -0.565 1.00 12.28 C ATOM 113 H VAL A 11 -3.708 3.030 1.999 1.00 0.00 H ATOM 114 N PRO A 12 0.202 2.420 1.670 1.00 12.67 N ATOM 115 CA PRO A 12 1.186 2.125 2.705 1.00 12.91 C ATOM 116 C PRO A 12 2.054 3.321 3.039 1.00 12.99 C ATOM 117 O PRO A 12 2.668 3.900 2.155 1.00 13.53 O ATOM 118 CB PRO A 12 2.029 1.032 2.080 1.00 13.28 C ATOM 119 CG PRO A 12 1.986 1.314 0.611 1.00 13.52 C ATOM 120 CD PRO A 12 0.705 2.071 0.332 1.00 13.28 C ATOM 121 N VAL A 13 2.079 3.699 4.307 1.00 13.16 N ATOM 122 CA VAL A 13 2.825 4.873 4.759 1.00 14.05 C ATOM 123 C VAL A 13 3.602 4.479 5.998 1.00 14.42 C ATOM 124 O VAL A 13 3.410 3.372 6.509 1.00 14.46 O ATOM 125 CB VAL A 13 1.901 6.087 5.012 1.00 13.79 C ATOM 126 CG1 VAL A 13 1.188 6.484 3.727 1.00 13.83 C ATOM 127 CG2 VAL A 13 0.883 5.821 6.102 1.00 14.24 C ATOM 128 H VAL A 13 1.549 3.141 5.007 1.00 0.00 H ATOM 129 N SER A 14 4.490 5.359 6.463 1.00 15.42 N ATOM 130 CA SER A 14 5.310 5.084 7.673 1.00 15.64 C ATOM 131 C SER A 14 4.827 5.994 8.774 1.00 16.75 C ATOM 132 O SER A 14 4.072 5.537 9.618 1.00 19.49 O ATOM 133 CB SER A 14 6.788 5.244 7.384 1.00 15.39 C ATOM 134 OG SER A 14 7.047 6.573 6.957 1.00 15.54 O ATOM 135 HG SER A 14 6.528 6.762 6.135 1.00 0.00 H ATOM 136 H SER A 14 4.613 6.264 5.965 1.00 0.00 H ATOM 137 N ASP A 15 5.185 7.280 8.749 1.00 17.26 N ATOM 138 CA ASP A 15 4.615 8.260 9.685 1.00 17.26 C ATOM 139 C ASP A 15 3.165 8.608 9.274 1.00 17.73 C ATOM 140 O ASP A 15 2.917 9.273 8.253 1.00 17.00 O ATOM 141 CB ASP A 15 5.495 9.510 9.725 1.00 17.13 C ATOM 142 CG ASP A 15 5.000 10.592 10.735 1.00 19.03 C ATOM 143 OD1 ASP A 15 3.772 10.787 10.983 1.00 18.09 O ATOM 144 OD2 ASP A 15 5.875 11.339 11.245 1.00 20.79 O ATOM 145 H ASP A 15 5.886 7.597 8.049 1.00 0.00 H ATOM 146 N GLN A 16 2.201 8.178 10.077 1.00 18.56 N ATOM 147 CA GLN A 16 0.786 8.367 9.719 1.00 19.43 C ATOM 148 C GLN A 16 0.319 9.795 9.946 1.00 19.99 C ATOM 149 O GLN A 16 -0.498 10.277 9.181 1.00 20.39 O ATOM 150 CB GLN A 16 -0.115 7.404 10.474 1.00 18.99 C ATOM 151 CG GLN A 16 0.001 5.964 10.024 1.00 19.16 C ATOM 152 CD GLN A 16 -0.864 5.088 10.889 1.00 19.89 C ATOM 153 OE1 GLN A 16 -0.630 5.009 12.098 1.00 20.91 O ATOM 154 NE2 GLN A 16 -1.908 4.474 10.310 1.00 19.77 N ATOM 155 HE22 GLN A 16 -2.065 4.570 9.286 1.00 0.00 H ATOM 156 HE21 GLN A 16 -2.560 3.903 10.885 1.00 0.00 H ATOM 157 H GLN A 16 2.447 7.703 10.969 1.00 0.00 H ATOM 158 N GLU A 17 0.845 10.462 10.983 1.00 20.82 N ATOM 159 CA GLU A 17 0.529 11.881 11.274 1.00 21.04 C ATOM 160 C GLU A 17 0.943 12.809 10.141 1.00 20.64 C ATOM 161 O GLU A 17 0.242 13.764 9.807 1.00 20.15 O ATOM 162 CB GLU A 17 1.216 12.337 12.571 1.00 22.14 C ATOM 163 CG GLU A 17 0.704 13.647 13.161 1.00 22.32 C ATOM 164 CD GLU A 17 -0.764 13.592 13.499 1.00 23.12 C ATOM 165 OE1 GLU A 17 -1.430 14.656 13.458 1.00 27.42 O ATOM 166 OE2 GLU A 17 -1.268 12.495 13.780 1.00 22.02 O ATOM 167 H GLU A 17 1.505 9.961 11.612 1.00 0.00 H ATOM 168 N LYS A 18 2.107 12.497 9.581 1.00 21.67 N ATOM 169 CA LYS A 18 2.715 13.200 8.452 1.00 21.10 C ATOM 170 C LYS A 18 1.888 12.952 7.177 1.00 19.73 C ATOM 171 O LYS A 18 1.527 13.885 6.440 1.00 18.23 O ATOM 172 CB LYS A 18 4.139 12.670 8.309 1.00 23.10 C ATOM 173 CG LYS A 18 4.952 13.127 7.122 1.00 25.33 C ATOM 174 CD LYS A 18 5.526 14.511 7.340 1.00 27.06 C ATOM 175 CE LYS A 18 6.335 14.943 6.118 1.00 27.98 C ATOM 176 NZ LYS A 18 7.197 16.129 6.415 1.00 29.16 N ATOM 177 HZ1 LYS A 18 6.598 16.926 6.710 1.00 0.00 H ATOM 178 HZ2 LYS A 18 7.860 15.891 7.180 1.00 0.00 H ATOM 179 HZ3 LYS A 18 7.730 16.391 5.561 1.00 0.00 H ATOM 180 H LYS A 18 2.627 11.688 9.977 1.00 0.00 H ATOM 181 N ALA A 19 1.587 11.683 6.925 1.00 18.88 N ATOM 182 CA ALA A 19 0.740 11.327 5.814 1.00 17.76 C ATOM 183 C ALA A 19 -0.596 12.056 5.934 1.00 17.49 C ATOM 184 O ALA A 19 -1.050 12.647 4.960 1.00 17.80 O ATOM 185 CB ALA A 19 0.545 9.830 5.744 1.00 18.45 C ATOM 186 H ALA A 19 1.968 10.935 7.539 1.00 0.00 H ATOM 187 N LYS A 20 -1.189 12.065 7.127 1.00 16.96 N ATOM 188 CA LYS A 20 -2.452 12.728 7.328 1.00 17.29 C ATOM 189 C LYS A 20 -2.374 14.162 6.871 1.00 16.54 C ATOM 190 O LYS A 20 -3.179 14.581 6.016 1.00 16.32 O ATOM 191 CB LYS A 20 -2.910 12.681 8.787 1.00 18.94 C ATOM 192 CG LYS A 20 -3.935 13.743 9.186 1.00 20.36 C ATOM 193 CD LYS A 20 -4.502 13.455 10.565 1.00 21.74 C ATOM 194 CE LYS A 20 -4.901 14.717 11.313 1.00 23.23 C ATOM 195 NZ LYS A 20 -5.980 14.356 12.290 1.00 25.61 N ATOM 196 HZ1 LYS A 20 -6.797 13.970 11.775 1.00 0.00 H ATOM 197 HZ2 LYS A 20 -5.619 13.643 12.955 1.00 0.00 H ATOM 198 HZ3 LYS A 20 -6.270 15.206 12.815 1.00 0.00 H ATOM 199 H LYS A 20 -0.732 11.584 7.928 1.00 0.00 H ATOM 200 N ASP A 21 -1.438 14.922 7.427 1.00 15.66 N ATOM 201 CA ASP A 21 -1.316 16.329 7.071 1.00 15.38 C ATOM 202 C ASP A 21 -1.075 16.523 5.569 1.00 15.08 C ATOM 203 O ASP A 21 -1.661 17.424 4.959 1.00 15.82 O ATOM 204 CB ASP A 21 -0.233 16.999 7.908 1.00 15.34 C ATOM 205 CG ASP A 21 -0.657 17.223 9.356 1.00 15.12 C ATOM 206 OD1 ASP A 21 -1.851 17.066 9.725 1.00 14.48 O ATOM 207 OD2 ASP A 21 0.235 17.581 10.132 1.00 15.63 O ATOM 208 H ASP A 21 -0.786 14.509 8.123 1.00 0.00 H ATOM 209 N PHE A 22 -0.280 15.653 4.953 1.00 14.67 N ATOM 210 CA PHE A 22 -0.125 15.690 3.479 1.00 14.28 C ATOM 211 C PHE A 22 -1.423 15.483 2.718 1.00 13.47 C ATOM 212 O PHE A 22 -1.759 16.296 1.866 1.00 14.05 O ATOM 213 CB PHE A 22 0.872 14.658 2.983 1.00 14.05 C ATOM 214 CG PHE A 22 1.115 14.727 1.501 1.00 14.26 C ATOM 215 CD1 PHE A 22 1.915 15.768 0.943 1.00 14.29 C ATOM 216 CD2 PHE A 22 0.574 13.777 0.650 1.00 13.73 C ATOM 217 CE1 PHE A 22 2.154 15.819 -0.418 1.00 13.74 C ATOM 218 CE2 PHE A 22 0.800 13.848 -0.723 1.00 13.69 C ATOM 219 CZ PHE A 22 1.582 14.856 -1.258 1.00 13.73 C ATOM 220 H PHE A 22 0.236 14.942 5.509 1.00 0.00 H ATOM 221 N TYR A 23 -2.139 14.399 2.993 1.00 12.85 N ATOM 222 CA TYR A 23 -3.347 14.120 2.217 1.00 13.16 C ATOM 223 C TYR A 23 -4.489 15.118 2.505 1.00 13.35 C ATOM 224 O TYR A 23 -5.217 15.480 1.569 1.00 13.58 O ATOM 225 CB TYR A 23 -3.811 12.678 2.342 1.00 12.77 C ATOM 226 CG TYR A 23 -2.952 11.707 1.551 1.00 12.50 C ATOM 227 CD1 TYR A 23 -1.824 11.116 2.124 1.00 12.42 C ATOM 228 CD2 TYR A 23 -3.262 11.368 0.223 1.00 12.14 C ATOM 229 CE1 TYR A 23 -1.052 10.196 1.425 1.00 12.27 C ATOM 230 CE2 TYR A 23 -2.465 10.460 -0.494 1.00 11.98 C ATOM 231 CZ TYR A 23 -1.367 9.878 0.102 1.00 12.27 C ATOM 232 OH TYR A 23 -0.565 8.972 -0.599 1.00 12.30 O ATOM 233 HH TYR A 23 0.170 8.662 -0.013 1.00 0.00 H ATOM 234 H TYR A 23 -1.843 13.754 3.753 1.00 0.00 H ATOM 235 N VAL A 24 -4.593 15.599 3.745 1.00 13.09 N ATOM 236 CA VAL A 24 -5.644 16.542 4.137 1.00 13.75 C ATOM 237 C VAL A 24 -5.282 18.009 3.851 1.00 14.26 C ATOM 238 O VAL A 24 -6.057 18.694 3.235 1.00 13.80 O ATOM 239 CB VAL A 24 -6.059 16.372 5.621 1.00 13.70 C ATOM 240 CG1 VAL A 24 -7.058 17.458 6.057 1.00 13.75 C ATOM 241 CG2 VAL A 24 -6.655 14.984 5.848 1.00 13.62 C ATOM 242 H VAL A 24 -3.902 15.293 4.460 1.00 0.00 H ATOM 243 N GLU A 25 -4.137 18.488 4.319 1.00 15.74 N ATOM 244 CA GLU A 25 -3.810 19.901 4.151 1.00 17.21 C ATOM 245 C GLU A 25 -3.304 20.171 2.743 1.00 16.61 C ATOM 246 O GLU A 25 -3.762 21.097 2.090 1.00 18.71 O ATOM 247 CB GLU A 25 -2.749 20.396 5.161 1.00 19.18 C ATOM 248 CG GLU A 25 -3.003 20.094 6.636 1.00 21.58 C ATOM 249 CD GLU A 25 -4.367 20.534 7.114 1.00 24.10 C ATOM 250 OE1 GLU A 25 -5.038 19.790 7.872 1.00 28.40 O ATOM 251 OE2 GLU A 25 -4.791 21.631 6.720 1.00 27.02 O ATOM 252 H GLU A 25 -3.471 17.856 4.807 1.00 0.00 H ATOM 253 N THR A 26 -2.351 19.381 2.270 1.00 15.38 N ATOM 254 CA THR A 26 -1.664 19.681 1.017 1.00 14.53 C ATOM 255 C THR A 26 -2.507 19.273 -0.198 1.00 14.21 C ATOM 256 O THR A 26 -2.707 20.074 -1.101 1.00 14.31 O ATOM 257 CB THR A 26 -0.254 19.058 0.995 1.00 14.25 C ATOM 258 OG1 THR A 26 0.485 19.562 2.120 1.00 14.08 O ATOM 259 CG2 THR A 26 0.508 19.415 -0.285 1.00 14.00 C ATOM 260 HG1 THR A 26 1.394 19.170 2.119 1.00 0.00 H ATOM 261 H THR A 26 -2.086 18.528 2.803 1.00 0.00 H ATOM 262 N VAL A 27 -2.989 18.032 -0.212 1.00 13.14 N ATOM 263 CA VAL A 27 -3.752 17.549 -1.324 1.00 12.57 C ATOM 264 C VAL A 27 -5.237 17.922 -1.167 1.00 12.59 C ATOM 265 O VAL A 27 -5.983 17.861 -2.148 1.00 13.27 O ATOM 266 CB VAL A 27 -3.612 16.043 -1.507 1.00 12.42 C ATOM 267 CG1 VAL A 27 -4.318 15.602 -2.780 1.00 12.95 C ATOM 268 CG2 VAL A 27 -2.160 15.622 -1.598 1.00 12.53 C ATOM 269 H VAL A 27 -2.809 17.404 0.597 1.00 0.00 H ATOM 270 N GLY A 28 -5.669 18.279 0.049 1.00 11.96 N ATOM 271 CA GLY A 28 -7.021 18.782 0.278 1.00 11.79 C ATOM 272 C GLY A 28 -8.115 17.755 0.380 1.00 11.38 C ATOM 273 O GLY A 28 -9.261 18.102 0.213 1.00 11.36 O ATOM 274 H GLY A 28 -5.020 18.195 0.857 1.00 0.00 H ATOM 275 N PHE A 29 -7.773 16.496 0.656 1.00 11.42 N ATOM 276 CA PHE A 29 -8.778 15.456 0.892 1.00 11.46 C ATOM 277 C PHE A 29 -9.505 15.776 2.186 1.00 10.86 C ATOM 278 O PHE A 29 -8.987 16.489 3.025 1.00 11.26 O ATOM 279 CB PHE A 29 -8.106 14.057 1.037 1.00 11.75 C ATOM 280 CG PHE A 29 -7.701 13.404 -0.257 1.00 12.00 C ATOM 281 CD1 PHE A 29 -7.756 14.057 -1.487 1.00 12.56 C ATOM 282 CD2 PHE A 29 -7.215 12.096 -0.243 1.00 12.48 C ATOM 283 CE1 PHE A 29 -7.385 13.403 -2.653 1.00 12.37 C ATOM 284 CE2 PHE A 29 -6.810 11.464 -1.401 1.00 12.16 C ATOM 285 CZ PHE A 29 -6.906 12.107 -2.603 1.00 12.11 C ATOM 286 H PHE A 29 -6.765 16.245 0.705 1.00 0.00 H ATOM 287 N ASP A 30 -10.698 15.229 2.330 1.00 10.94 N ATOM 288 CA ASP A 30 -11.486 15.299 3.557 1.00 11.08 C ATOM 289 C ASP A 30 -10.999 14.167 4.450 1.00 11.98 C ATOM 290 O ASP A 30 -10.685 13.073 3.949 1.00 11.94 O ATOM 291 CB ASP A 30 -12.976 15.071 3.286 1.00 10.53 C ATOM 292 CG ASP A 30 -13.758 16.350 3.141 1.00 10.29 C ATOM 293 OD1 ASP A 30 -13.213 17.371 2.705 1.00 10.31 O ATOM 294 OD2 ASP A 30 -14.954 16.321 3.454 1.00 9.61 O ATOM 295 H ASP A 30 -11.101 14.717 1.520 1.00 0.00 H ATOM 296 N LEU A 31 -10.947 14.444 5.758 1.00 12.67 N ATOM 297 CA LEU A 31 -10.624 13.448 6.790 1.00 12.95 C ATOM 298 C LEU A 31 -11.914 12.799 7.250 1.00 13.46 C ATOM 299 O LEU A 31 -12.762 13.468 7.835 1.00 13.72 O ATOM 300 CB LEU A 31 -9.968 14.118 7.997 1.00 12.84 C ATOM 301 CG LEU A 31 -9.725 13.235 9.219 1.00 12.96 C ATOM 302 CD1 LEU A 31 -8.661 12.206 8.869 1.00 13.18 C ATOM 303 CD2 LEU A 31 -9.307 14.110 10.404 1.00 13.27 C ATOM 304 H LEU A 31 -11.146 15.419 6.062 1.00 0.00 H ATOM 305 N LEU A 32 -12.076 11.513 6.969 1.00 13.76 N ATOM 306 CA LEU A 32 -13.334 10.811 7.258 1.00 14.07 C ATOM 307 C LEU A 32 -13.306 10.142 8.612 1.00 15.23 C ATOM 308 O LEU A 32 -14.343 10.098 9.313 1.00 16.48 O ATOM 309 CB LEU A 32 -13.647 9.730 6.198 1.00 13.61 C ATOM 310 CG LEU A 32 -13.645 10.060 4.703 1.00 12.81 C ATOM 311 CD1 LEU A 32 -14.380 8.954 3.968 1.00 12.75 C ATOM 312 CD2 LEU A 32 -14.311 11.409 4.422 1.00 12.68 C ATOM 313 H LEU A 32 -11.292 10.988 6.533 1.00 0.00 H ATOM 314 N ALA A 33 -12.160 9.600 8.972 1.00 15.56 N ATOM 315 CA ALA A 33 -12.040 8.898 10.236 1.00 17.06 C ATOM 316 C ALA A 33 -10.598 8.871 10.616 1.00 17.89 C ATOM 317 O ALA A 33 -9.749 8.796 9.753 1.00 16.83 O ATOM 318 CB ALA A 33 -12.581 7.474 10.116 1.00 17.19 C ATOM 319 H ALA A 33 -11.334 9.676 8.344 1.00 0.00 H ATOM 320 N ASP A 34 -10.352 9.004 11.918 1.00 20.34 N ATOM 321 CA ASP A 34 -9.045 8.840 12.516 1.00 21.92 C ATOM 322 C ASP A 34 -9.279 8.215 13.898 1.00 23.14 C ATOM 323 O ASP A 34 -9.621 8.916 14.846 1.00 21.47 O ATOM 324 CB ASP A 34 -8.327 10.191 12.645 1.00 22.57 C ATOM 325 CG ASP A 34 -6.880 10.050 13.150 1.00 22.65 C ATOM 326 OD1 ASP A 34 -6.457 8.951 13.543 1.00 23.03 O ATOM 327 OD2 ASP A 34 -6.137 11.046 13.124 1.00 24.91 O ATOM 328 H ASP A 34 -11.149 9.240 12.543 1.00 0.00 H ATOM 329 N GLN A 35 -9.147 6.893 14.002 1.00 24.58 N ATOM 330 CA GLN A 35 -9.454 6.207 15.265 1.00 25.11 C ATOM 331 C GLN A 35 -8.734 4.871 15.340 1.00 24.87 C ATOM 332 O GLN A 35 -8.017 4.524 14.407 1.00 23.84 O ATOM 333 CB GLN A 35 -10.979 6.073 15.429 1.00 26.75 C ATOM 334 CG GLN A 35 -11.634 5.157 14.413 1.00 28.08 C ATOM 335 CD GLN A 35 -12.825 5.792 13.714 1.00 30.91 C ATOM 336 OE1 GLN A 35 -12.955 7.033 13.634 1.00 33.22 O ATOM 337 NE2 GLN A 35 -13.704 4.943 13.189 1.00 31.87 N ATOM 338 HE22 GLN A 35 -13.555 3.918 13.280 1.00 0.00 H ATOM 339 HE21 GLN A 35 -14.540 5.304 12.687 1.00 0.00 H ATOM 340 H GLN A 35 -8.824 6.342 13.182 1.00 0.00 H ATOM 341 N PRO A 36 -8.879 4.131 16.472 1.00 25.20 N ATOM 342 CA PRO A 36 -8.175 2.835 16.507 1.00 23.98 C ATOM 343 C PRO A 36 -8.823 1.828 15.602 1.00 23.34 C ATOM 344 O PRO A 36 -10.032 1.841 15.418 1.00 22.70 O ATOM 345 CB PRO A 36 -8.264 2.393 17.972 1.00 23.51 C ATOM 346 CG PRO A 36 -8.707 3.613 18.740 1.00 24.73 C ATOM 347 CD PRO A 36 -9.501 4.450 17.774 1.00 24.47 C ATOM 348 N GLY A 37 -7.990 0.991 15.014 1.00 24.45 N ATOM 349 CA GLY A 37 -8.438 -0.132 14.211 1.00 26.34 C ATOM 350 C GLY A 37 -7.796 -1.388 14.751 1.00 25.58 C ATOM 351 O GLY A 37 -7.085 -1.330 15.733 1.00 26.36 O ATOM 352 H GLY A 37 -6.968 1.142 15.131 1.00 0.00 H ATOM 353 N VAL A 38 -8.032 -2.509 14.080 1.00 28.18 N ATOM 354 CA VAL A 38 -7.615 -3.822 14.598 1.00 29.81 C ATOM 355 C VAL A 38 -6.095 -3.991 14.566 1.00 28.97 C ATOM 356 O VAL A 38 -5.549 -4.489 15.546 1.00 29.71 O ATOM 357 CB VAL A 38 -8.428 -5.067 14.039 1.00 32.18 C ATOM 358 CG1 VAL A 38 -8.892 -4.890 12.611 1.00 31.24 C ATOM 359 CG2 VAL A 38 -7.668 -6.410 14.169 1.00 31.81 C ATOM 360 H VAL A 38 -8.524 -2.458 13.165 1.00 0.00 H ATOM 361 N HIS A 39 -5.403 -3.546 13.514 1.00 29.24 N ATOM 362 CA HIS A 39 -3.928 -3.657 13.501 1.00 28.96 C ATOM 363 C HIS A 39 -3.196 -2.372 13.806 1.00 28.29 C ATOM 364 O HIS A 39 -1.991 -2.350 13.706 1.00 27.55 O ATOM 365 CB HIS A 39 -3.440 -4.278 12.203 1.00 32.23 C ATOM 366 CG HIS A 39 -4.077 -5.597 11.933 1.00 37.20 C ATOM 367 ND1 HIS A 39 -5.113 -5.751 11.037 1.00 39.41 N ATOM 368 CD2 HIS A 39 -3.919 -6.799 12.539 1.00 38.57 C ATOM 369 CE1 HIS A 39 -5.534 -7.003 11.069 1.00 39.84 C ATOM 370 NE2 HIS A 39 -4.821 -7.661 11.967 1.00 39.39 N ATOM 371 H HIS A 39 -5.900 -3.122 12.705 1.00 0.00 H ATOM 372 N GLY A 40 -3.915 -1.326 14.223 1.00 28.35 N ATOM 373 CA GLY A 40 -3.323 0.001 14.506 1.00 27.43 C ATOM 374 C GLY A 40 -4.266 1.138 14.121 1.00 26.37 C ATOM 375 O GLY A 40 -5.477 0.914 13.897 1.00 25.51 O ATOM 376 H GLY A 40 -4.939 -1.450 14.355 1.00 0.00 H ATOM 377 N ARG A 41 -3.693 2.345 14.006 1.00 24.46 N ATOM 378 CA ARG A 41 -4.442 3.596 13.746 1.00 22.72 C ATOM 379 C ARG A 41 -5.075 3.570 12.350 1.00 21.42 C ATOM 380 O ARG A 41 -4.365 3.434 11.354 1.00 21.72 O ATOM 381 CB ARG A 41 -3.506 4.800 13.847 1.00 22.95 C ATOM 382 CG ARG A 41 -4.129 6.176 13.595 1.00 22.10 C ATOM 383 CD ARG A 41 -3.064 7.256 13.710 1.00 21.57 C ATOM 384 NE ARG A 41 -3.620 8.616 13.644 1.00 21.82 N ATOM 385 CZ ARG A 41 -2.903 9.751 13.681 1.00 19.78 C ATOM 386 NH1 ARG A 41 -1.579 9.726 13.796 1.00 18.01 N ATOM 387 NH2 ARG A 41 -3.520 10.929 13.610 1.00 18.60 N ATOM 388 HE ARG A 41 -4.653 8.706 13.562 1.00 0.00 H ATOM 389 HH12 ARG A 41 -1.042 10.617 13.823 1.00 0.00 H ATOM 390 HH11 ARG A 41 -1.080 8.816 13.859 1.00 0.00 H ATOM 391 HH22 ARG A 41 -2.966 11.809 13.639 1.00 0.00 H ATOM 392 HH21 ARG A 41 -4.556 10.969 13.526 1.00 0.00 H ATOM 393 H ARG A 41 -2.660 2.406 14.105 1.00 0.00 H ATOM 394 N TRP A 42 -6.401 3.698 12.319 1.00 18.67 N ATOM 395 CA TRP A 42 -7.205 3.756 11.101 1.00 16.89 C ATOM 396 C TRP A 42 -7.334 5.184 10.702 1.00 15.94 C ATOM 397 O TRP A 42 -7.942 5.963 11.410 1.00 14.82 O ATOM 398 CB TRP A 42 -8.603 3.248 11.383 1.00 16.94 C ATOM 399 CG TRP A 42 -9.516 3.207 10.271 1.00 15.88 C ATOM 400 CD1 TRP A 42 -10.494 4.096 9.997 1.00 16.56 C ATOM 401 CD2 TRP A 42 -9.614 2.178 9.297 1.00 16.05 C ATOM 402 NE1 TRP A 42 -11.194 3.707 8.878 1.00 16.16 N ATOM 403 CE2 TRP A 42 -10.669 2.528 8.422 1.00 15.92 C ATOM 404 CE3 TRP A 42 -8.921 0.984 9.080 1.00 15.91 C ATOM 405 CZ2 TRP A 42 -11.050 1.727 7.340 1.00 15.74 C ATOM 406 CZ3 TRP A 42 -9.283 0.184 7.994 1.00 15.61 C ATOM 407 CH2 TRP A 42 -10.351 0.563 7.137 1.00 16.08 C ATOM 408 HE1 TRP A 42 -11.989 4.223 8.450 1.00 0.00 H ATOM 409 H TRP A 42 -6.900 3.761 13.229 1.00 0.00 H ATOM 410 N LEU A 43 -6.770 5.504 9.542 1.00 15.62 N ATOM 411 CA LEU A 43 -6.728 6.862 9.040 1.00 14.97 C ATOM 412 C LEU A 43 -7.280 6.834 7.633 1.00 14.38 C ATOM 413 O LEU A 43 -6.698 6.251 6.724 1.00 13.92 O ATOM 414 CB LEU A 43 -5.283 7.348 9.068 1.00 15.10 C ATOM 415 CG LEU A 43 -5.008 8.805 8.758 1.00 15.82 C ATOM 416 CD1 LEU A 43 -5.698 9.716 9.752 1.00 16.45 C ATOM 417 CD2 LEU A 43 -3.489 9.083 8.727 1.00 16.15 C ATOM 418 H LEU A 43 -6.341 4.748 8.971 1.00 0.00 H ATOM 419 N GLN A 44 -8.411 7.489 7.450 1.00 14.16 N ATOM 420 CA GLN A 44 -9.211 7.291 6.268 1.00 13.35 C ATOM 421 C GLN A 44 -9.528 8.657 5.640 1.00 12.80 C ATOM 422 O GLN A 44 -10.036 9.560 6.301 1.00 11.82 O ATOM 423 CB GLN A 44 -10.461 6.530 6.669 1.00 13.38 C ATOM 424 CG GLN A 44 -11.191 5.967 5.506 1.00 13.42 C ATOM 425 CD GLN A 44 -12.553 5.424 5.864 1.00 13.52 C ATOM 426 OE1 GLN A 44 -12.971 5.437 7.014 1.00 14.04 O ATOM 427 NE2 GLN A 44 -13.257 4.938 4.854 1.00 13.34 N ATOM 428 HE22 GLN A 44 -12.861 4.948 3.892 1.00 0.00 H ATOM 429 HE21 GLN A 44 -14.206 4.547 5.022 1.00 0.00 H ATOM 430 H GLN A 44 -8.732 8.163 8.175 1.00 0.00 H ATOM 431 N VAL A 45 -9.185 8.801 4.358 1.00 12.40 N ATOM 432 CA VAL A 45 -9.301 10.089 3.651 1.00 12.30 C ATOM 433 C VAL A 45 -9.932 9.891 2.289 1.00 11.91 C ATOM 434 O VAL A 45 -9.863 8.793 1.698 1.00 12.01 O ATOM 435 CB VAL A 45 -7.938 10.796 3.472 1.00 12.58 C ATOM 436 CG1 VAL A 45 -7.390 11.224 4.815 1.00 12.39 C ATOM 437 CG2 VAL A 45 -6.915 9.908 2.762 1.00 12.51 C ATOM 438 H VAL A 45 -8.823 7.975 3.840 1.00 0.00 H ATOM 439 N ALA A 46 -10.539 10.957 1.796 1.00 11.44 N ATOM 440 CA ALA A 46 -11.233 10.920 0.510 1.00 11.19 C ATOM 441 C ALA A 46 -11.422 12.338 -0.038 1.00 11.33 C ATOM 442 O ALA A 46 -11.619 13.267 0.725 1.00 10.69 O ATOM 443 CB ALA A 46 -12.575 10.232 0.667 1.00 10.67 C ATOM 444 H ALA A 46 -10.522 11.845 2.337 1.00 0.00 H ATOM 445 N PRO A 47 -11.352 12.506 -1.372 1.00 11.86 N ATOM 446 CA PRO A 47 -11.862 13.745 -1.940 1.00 12.00 C ATOM 447 C PRO A 47 -13.315 13.916 -1.493 1.00 12.24 C ATOM 448 O PRO A 47 -14.057 12.915 -1.483 1.00 11.98 O ATOM 449 CB PRO A 47 -11.795 13.508 -3.453 1.00 12.01 C ATOM 450 CG PRO A 47 -10.839 12.403 -3.656 1.00 11.90 C ATOM 451 CD PRO A 47 -10.783 11.610 -2.396 1.00 11.91 C ATOM 452 N LYS A 48 -13.707 15.149 -1.136 1.00 12.35 N ATOM 453 CA LYS A 48 -15.074 15.435 -0.646 1.00 12.19 C ATOM 454 C LYS A 48 -16.116 14.749 -1.500 1.00 12.06 C ATOM 455 O LYS A 48 -16.171 14.901 -2.715 1.00 11.87 O ATOM 456 CB LYS A 48 -15.380 16.942 -0.599 1.00 12.72 C ATOM 457 CG LYS A 48 -16.511 17.290 0.390 1.00 12.82 C ATOM 458 CD LYS A 48 -16.737 18.779 0.623 1.00 12.29 C ATOM 459 CE LYS A 48 -15.655 19.384 1.496 1.00 12.58 C ATOM 460 NZ LYS A 48 -15.750 19.035 2.953 1.00 12.43 N ATOM 461 HZ1 LYS A 48 -16.660 19.369 3.330 1.00 0.00 H ATOM 462 HZ2 LYS A 48 -15.684 18.003 3.066 1.00 0.00 H ATOM 463 HZ3 LYS A 48 -14.971 19.492 3.469 1.00 0.00 H ATOM 464 H LYS A 48 -13.026 15.932 -1.206 1.00 0.00 H ATOM 465 N GLY A 49 -16.925 13.926 -0.867 1.00 12.66 N ATOM 466 CA GLY A 49 -18.125 13.403 -1.545 1.00 12.40 C ATOM 467 C GLY A 49 -17.885 12.166 -2.400 1.00 12.08 C ATOM 468 O GLY A 49 -18.833 11.603 -2.891 1.00 11.04 O ATOM 469 H GLY A 49 -16.717 13.644 0.112 1.00 0.00 H ATOM 470 N ALA A 50 -16.654 11.675 -2.504 1.00 11.88 N ATOM 471 CA ALA A 50 -16.391 10.505 -3.368 1.00 11.84 C ATOM 472 C ALA A 50 -16.811 9.202 -2.687 1.00 11.92 C ATOM 473 O ALA A 50 -16.757 9.080 -1.485 1.00 12.13 O ATOM 474 CB ALA A 50 -14.928 10.436 -3.739 1.00 11.55 C ATOM 475 H ALA A 50 -15.874 12.115 -1.976 1.00 0.00 H ATOM 476 N ASP A 51 -17.228 8.237 -3.488 1.00 12.07 N ATOM 477 CA ASP A 51 -17.671 6.933 -3.011 1.00 11.98 C ATOM 478 C ASP A 51 -16.522 6.060 -2.510 1.00 11.68 C ATOM 479 O ASP A 51 -16.727 5.232 -1.650 1.00 11.71 O ATOM 480 CB ASP A 51 -18.400 6.209 -4.163 1.00 12.34 C ATOM 481 CG ASP A 51 -19.626 6.963 -4.642 1.00 12.29 C ATOM 482 OD1 ASP A 51 -20.134 7.766 -3.860 1.00 12.95 O ATOM 483 OD2 ASP A 51 -20.088 6.768 -5.779 1.00 12.70 O ATOM 484 H ASP A 51 -17.241 8.418 -4.512 1.00 0.00 H ATOM 485 N THR A 52 -15.332 6.235 -3.064 1.00 11.30 N ATOM 486 CA THR A 52 -14.193 5.364 -2.777 1.00 11.67 C ATOM 487 C THR A 52 -13.190 6.175 -1.993 1.00 11.16 C ATOM 488 O THR A 52 -12.696 7.210 -2.462 1.00 11.24 O ATOM 489 CB THR A 52 -13.520 4.850 -4.093 1.00 12.01 C ATOM 490 OG1 THR A 52 -14.494 4.168 -4.898 1.00 12.61 O ATOM 491 CG2 THR A 52 -12.376 3.887 -3.778 1.00 12.11 C ATOM 492 HG1 THR A 52 -14.858 3.399 -4.392 1.00 0.00 H ATOM 493 H THR A 52 -15.202 7.023 -3.730 1.00 0.00 H ATOM 494 N SER A 53 -12.868 5.699 -0.811 1.00 11.08 N ATOM 495 CA SER A 53 -11.933 6.389 0.090 1.00 10.85 C ATOM 496 C SER A 53 -10.646 5.615 0.125 1.00 10.62 C ATOM 497 O SER A 53 -10.569 4.533 -0.432 1.00 10.15 O ATOM 498 CB SER A 53 -12.556 6.505 1.488 1.00 10.58 C ATOM 499 OG SER A 53 -13.030 5.252 1.926 1.00 10.49 O ATOM 500 HG SER A 53 -13.717 4.921 1.295 1.00 0.00 H ATOM 501 H SER A 53 -13.290 4.801 -0.501 1.00 0.00 H ATOM 502 N LEU A 54 -9.650 6.187 0.797 1.00 11.35 N ATOM 503 CA LEU A 54 -8.300 5.639 0.911 1.00 11.84 C ATOM 504 C LEU A 54 -7.971 5.547 2.362 1.00 12.25 C ATOM 505 O LEU A 54 -8.314 6.462 3.150 1.00 11.94 O ATOM 506 CB LEU A 54 -7.268 6.585 0.290 1.00 12.32 C ATOM 507 CG LEU A 54 -7.259 6.887 -1.220 1.00 12.93 C ATOM 508 CD1 LEU A 54 -8.361 7.844 -1.644 1.00 12.90 C ATOM 509 CD2 LEU A 54 -5.909 7.491 -1.627 1.00 13.31 C ATOM 510 H LEU A 54 -9.846 7.089 1.276 1.00 0.00 H ATOM 511 N VAL A 55 -7.264 4.483 2.725 1.00 12.86 N ATOM 512 CA VAL A 55 -6.812 4.264 4.109 1.00 13.69 C ATOM 513 C VAL A 55 -5.279 4.344 4.220 1.00 13.77 C ATOM 514 O VAL A 55 -4.553 3.693 3.479 1.00 14.39 O ATOM 515 CB VAL A 55 -7.312 2.898 4.637 1.00 13.91 C ATOM 516 CG1 VAL A 55 -6.929 2.702 6.093 1.00 14.13 C ATOM 517 CG2 VAL A 55 -8.815 2.792 4.470 1.00 14.06 C ATOM 518 H VAL A 55 -7.020 3.776 2.002 1.00 0.00 H ATOM 519 N LEU A 56 -4.781 5.110 5.176 1.00 14.58 N ATOM 520 CA LEU A 56 -3.359 5.409 5.211 1.00 14.97 C ATOM 521 C LEU A 56 -2.780 4.486 6.253 1.00 16.01 C ATOM 522 O LEU A 56 -2.796 4.808 7.433 1.00 16.21 O ATOM 523 CB LEU A 56 -3.118 6.890 5.502 1.00 14.61 C ATOM 524 CG LEU A 56 -3.877 7.863 4.586 1.00 15.12 C ATOM 525 CD1 LEU A 56 -3.558 9.302 4.975 1.00 15.49 C ATOM 526 CD2 LEU A 56 -3.599 7.680 3.088 1.00 15.21 C ATOM 527 H LEU A 56 -5.410 5.500 5.906 1.00 0.00 H ATOM 528 N VAL A 57 -2.283 3.333 5.802 1.00 16.68 N ATOM 529 CA VAL A 57 -1.931 2.220 6.694 1.00 18.01 C ATOM 530 C VAL A 57 -0.444 1.965 6.740 1.00 19.17 C ATOM 531 O VAL A 57 0.277 2.319 5.822 1.00 18.75 O ATOM 532 CB VAL A 57 -2.514 0.875 6.235 1.00 18.01 C ATOM 533 CG1 VAL A 57 -4.011 0.982 6.057 1.00 19.38 C ATOM 534 CG2 VAL A 57 -1.843 0.384 4.948 1.00 18.41 C ATOM 535 H VAL A 57 -2.139 3.218 4.779 1.00 0.00 H ATOM 536 N ASP A 58 -0.032 1.264 7.788 1.00 20.54 N ATOM 537 CA ASP A 58 1.339 0.869 7.985 1.00 22.41 C ATOM 538 C ASP A 58 1.473 -0.602 8.417 1.00 22.21 C ATOM 539 O ASP A 58 2.515 -0.952 8.892 1.00 22.99 O ATOM 540 CB ASP A 58 2.012 1.816 9.007 1.00 23.80 C ATOM 541 CG ASP A 58 1.443 1.697 10.443 1.00 23.89 C ATOM 542 OD1 ASP A 58 0.433 1.032 10.681 1.00 26.81 O ATOM 543 OD2 ASP A 58 2.010 2.293 11.370 1.00 24.40 O ATOM 544 H ASP A 58 -0.734 0.986 8.503 1.00 0.00 H ATOM 545 N TRP A 59 0.474 -1.456 8.190 1.00 22.87 N ATOM 546 CA TRP A 59 0.464 -2.832 8.775 1.00 23.74 C ATOM 547 C TRP A 59 0.477 -4.030 7.828 1.00 23.95 C ATOM 548 O TRP A 59 0.274 -5.160 8.273 1.00 25.62 O ATOM 549 CB TRP A 59 -0.677 -3.001 9.792 1.00 25.05 C ATOM 550 CG TRP A 59 -2.037 -2.684 9.306 1.00 24.92 C ATOM 551 CD1 TRP A 59 -2.823 -3.454 8.535 1.00 25.15 C ATOM 552 CD2 TRP A 59 -2.784 -1.515 9.611 1.00 24.55 C ATOM 553 NE1 TRP A 59 -4.033 -2.831 8.319 1.00 25.05 N ATOM 554 CE2 TRP A 59 -4.025 -1.629 8.957 1.00 23.92 C ATOM 555 CE3 TRP A 59 -2.509 -0.363 10.354 1.00 24.47 C ATOM 556 CZ2 TRP A 59 -5.007 -0.643 9.030 1.00 25.44 C ATOM 557 CZ3 TRP A 59 -3.469 0.604 10.448 1.00 25.10 C ATOM 558 CH2 TRP A 59 -4.716 0.474 9.775 1.00 25.44 C ATOM 559 HE1 TRP A 59 -4.822 -3.216 7.761 1.00 0.00 H ATOM 560 H TRP A 59 -0.320 -1.156 7.589 1.00 0.00 H ATOM 561 N PHE A 60 0.780 -3.806 6.552 1.00 23.43 N ATOM 562 CA PHE A 60 0.893 -4.861 5.572 1.00 23.11 C ATOM 563 C PHE A 60 2.344 -5.009 5.096 1.00 23.68 C ATOM 564 O PHE A 60 2.817 -4.164 4.333 1.00 24.53 O ATOM 565 CB PHE A 60 0.017 -4.540 4.373 1.00 22.88 C ATOM 566 CG PHE A 60 -1.461 -4.581 4.658 1.00 23.32 C ATOM 567 CD1 PHE A 60 -2.089 -5.777 5.031 1.00 23.36 C ATOM 568 CD2 PHE A 60 -2.243 -3.434 4.500 1.00 22.02 C ATOM 569 CE1 PHE A 60 -3.462 -5.812 5.258 1.00 23.03 C ATOM 570 CE2 PHE A 60 -3.597 -3.468 4.727 1.00 22.19 C ATOM 571 CZ PHE A 60 -4.215 -4.652 5.114 1.00 22.89 C ATOM 572 H PHE A 60 0.943 -2.826 6.246 1.00 0.00 H ATOM 573 N PRO A 61 3.049 -6.097 5.502 1.00 23.93 N ATOM 574 CA PRO A 61 4.468 -6.284 5.103 1.00 23.81 C ATOM 575 C PRO A 61 4.635 -6.335 3.593 1.00 23.92 C ATOM 576 O PRO A 61 5.611 -5.837 3.039 1.00 24.98 O ATOM 577 CB PRO A 61 4.838 -7.662 5.693 1.00 24.05 C ATOM 578 CG PRO A 61 3.808 -7.957 6.723 1.00 23.54 C ATOM 579 CD PRO A 61 2.562 -7.217 6.327 1.00 23.97 C ATOM 580 N THR A 62 3.668 -6.968 2.945 1.00 24.31 N ATOM 581 CA THR A 62 3.596 -7.060 1.481 1.00 24.74 C ATOM 582 C THR A 62 3.477 -5.711 0.745 1.00 23.07 C ATOM 583 O THR A 62 3.641 -5.673 -0.458 1.00 25.16 O ATOM 584 CB THR A 62 2.388 -7.925 1.116 1.00 25.85 C ATOM 585 OG1 THR A 62 1.323 -7.643 2.060 1.00 28.81 O ATOM 586 CG2 THR A 62 2.774 -9.398 1.217 1.00 26.30 C ATOM 587 HG1 THR A 62 0.532 -8.195 1.838 1.00 0.00 H ATOM 588 H THR A 62 2.919 -7.425 3.504 1.00 0.00 H ATOM 589 N MET A 63 3.164 -4.628 1.454 1.00 21.78 N ATOM 590 CA MET A 63 3.138 -3.280 0.865 1.00 21.32 C ATOM 591 C MET A 63 3.997 -2.393 1.769 1.00 20.38 C ATOM 592 O MET A 63 3.479 -1.838 2.758 1.00 20.42 O ATOM 593 CB MET A 63 1.697 -2.746 0.808 1.00 20.99 C ATOM 594 CG MET A 63 0.695 -3.591 0.017 1.00 21.35 C ATOM 595 SD MET A 63 -1.020 -3.337 0.546 1.00 20.86 S ATOM 596 CE MET A 63 -1.177 -1.570 0.327 1.00 21.38 C ATOM 597 H MET A 63 2.929 -4.739 2.461 1.00 0.00 H ATOM 598 N PRO A 64 5.314 -2.301 1.481 1.00 19.21 N ATOM 599 CA PRO A 64 6.141 -1.437 2.316 1.00 19.44 C ATOM 600 C PRO A 64 5.773 0.026 2.092 1.00 18.81 C ATOM 601 O PRO A 64 5.173 0.334 1.058 1.00 18.46 O ATOM 602 CB PRO A 64 7.579 -1.719 1.848 1.00 19.23 C ATOM 603 CG PRO A 64 7.522 -2.896 0.963 1.00 19.72 C ATOM 604 CD PRO A 64 6.111 -3.004 0.455 1.00 20.07 C ATOM 605 N PRO A 65 6.119 0.914 3.043 1.00 18.25 N ATOM 606 CA PRO A 65 5.817 2.338 2.857 1.00 18.43 C ATOM 607 C PRO A 65 6.381 2.874 1.529 1.00 18.62 C ATOM 608 O PRO A 65 7.537 2.617 1.213 1.00 16.94 O ATOM 609 CB PRO A 65 6.553 3.016 4.035 1.00 19.67 C ATOM 610 CG PRO A 65 6.799 1.930 5.060 1.00 18.90 C ATOM 611 CD PRO A 65 6.967 0.679 4.241 1.00 19.18 C ATOM 612 N GLY A 66 5.565 3.588 0.755 1.00 18.00 N ATOM 613 CA GLY A 66 6.057 4.249 -0.448 1.00 18.65 C ATOM 614 C GLY A 66 6.102 3.383 -1.692 1.00 19.29 C ATOM 615 O GLY A 66 6.606 3.841 -2.735 1.00 18.64 O ATOM 616 H GLY A 66 4.561 3.675 1.013 1.00 0.00 H ATOM 617 N SER A 67 5.561 2.156 -1.595 1.00 19.66 N ATOM 618 CA SER A 67 5.637 1.186 -2.685 1.00 19.84 C ATOM 619 C SER A 67 4.564 1.384 -3.757 1.00 20.57 C ATOM 620 O SER A 67 4.677 0.832 -4.860 1.00 19.83 O ATOM 621 CB SER A 67 5.549 -0.256 -2.153 1.00 20.24 C ATOM 622 OG SER A 67 4.502 -0.469 -1.206 1.00 20.85 O ATOM 623 HG SER A 67 4.641 0.121 -0.424 1.00 0.00 H ATOM 624 H SER A 67 5.073 1.889 -0.716 1.00 0.00 H ATOM 625 N LEU A 68 3.515 2.140 -3.433 1.00 20.59 N ATOM 626 CA LEU A 68 2.318 2.113 -4.250 1.00 19.27 C ATOM 627 C LEU A 68 2.535 2.980 -5.447 1.00 18.62 C ATOM 628 O LEU A 68 3.081 4.073 -5.318 1.00 18.24 O ATOM 629 CB LEU A 68 1.121 2.614 -3.471 1.00 19.98 C ATOM 630 CG LEU A 68 -0.196 2.593 -4.241 1.00 20.09 C ATOM 631 CD1 LEU A 68 -1.364 2.164 -3.379 1.00 20.38 C ATOM 632 CD2 LEU A 68 -0.465 3.971 -4.823 1.00 20.85 C ATOM 633 H LEU A 68 3.556 2.751 -2.592 1.00 0.00 H ATOM 634 N ARG A 69 2.102 2.467 -6.600 1.00 17.27 N ATOM 635 CA ARG A 69 2.158 3.145 -7.883 1.00 16.76 C ATOM 636 C ARG A 69 0.830 2.916 -8.616 1.00 15.63 C ATOM 637 O ARG A 69 0.004 2.100 -8.204 1.00 14.87 O ATOM 638 CB ARG A 69 3.275 2.557 -8.755 1.00 17.24 C ATOM 639 CG ARG A 69 4.628 2.436 -8.096 1.00 17.49 C ATOM 640 CD ARG A 69 5.283 3.801 -8.019 1.00 19.13 C ATOM 641 NE ARG A 69 6.605 3.678 -7.412 1.00 18.70 N ATOM 642 CZ ARG A 69 6.869 3.815 -6.116 1.00 19.26 C ATOM 643 NH1 ARG A 69 8.117 3.639 -5.687 1.00 20.06 N ATOM 644 NH2 ARG A 69 5.926 4.122 -5.235 1.00 19.47 N ATOM 645 HE ARG A 69 7.404 3.466 -8.043 1.00 0.00 H ATOM 646 HH12 ARG A 69 8.339 3.743 -4.676 1.00 0.00 H ATOM 647 HH11 ARG A 69 8.870 3.398 -6.363 1.00 0.00 H ATOM 648 HH22 ARG A 69 6.167 4.221 -4.228 1.00 0.00 H ATOM 649 HH21 ARG A 69 4.945 4.263 -5.551 1.00 0.00 H ATOM 650 H ARG A 69 1.694 1.511 -6.578 1.00 0.00 H ATOM 651 N GLY A 70 0.656 3.644 -9.711 1.00 15.09 N ATOM 652 CA GLY A 70 -0.485 3.467 -10.611 1.00 15.05 C ATOM 653 C GLY A 70 -1.824 3.857 -9.982 1.00 14.55 C ATOM 654 O GLY A 70 -2.844 3.211 -10.249 1.00 14.04 O ATOM 655 H GLY A 70 1.361 4.373 -9.940 1.00 0.00 H ATOM 656 N LEU A 71 -1.791 4.885 -9.137 1.00 13.50 N ATOM 657 CA LEU A 71 -2.991 5.520 -8.610 1.00 13.74 C ATOM 658 C LEU A 71 -3.251 6.802 -9.403 1.00 13.88 C ATOM 659 O LEU A 71 -2.358 7.645 -9.549 1.00 13.89 O ATOM 660 CB LEU A 71 -2.809 5.860 -7.136 1.00 13.70 C ATOM 661 CG LEU A 71 -3.842 6.734 -6.437 1.00 13.92 C ATOM 662 CD1 LEU A 71 -5.263 6.198 -6.470 1.00 14.13 C ATOM 663 CD2 LEU A 71 -3.379 6.897 -5.015 1.00 14.34 C ATOM 664 H LEU A 71 -0.865 5.252 -8.839 1.00 0.00 H ATOM 665 N LEU A 72 -4.468 6.940 -9.914 1.00 13.40 N ATOM 666 CA LEU A 72 -4.833 8.083 -10.697 1.00 13.76 C ATOM 667 C LEU A 72 -6.083 8.741 -10.176 1.00 13.80 C ATOM 668 O LEU A 72 -7.143 8.128 -10.131 1.00 14.16 O ATOM 669 CB LEU A 72 -5.095 7.636 -12.121 1.00 13.99 C ATOM 670 CG LEU A 72 -5.205 8.740 -13.142 1.00 14.18 C ATOM 671 CD1 LEU A 72 -3.869 9.470 -13.257 1.00 13.96 C ATOM 672 CD2 LEU A 72 -5.631 8.138 -14.476 1.00 14.21 C ATOM 673 H LEU A 72 -5.176 6.198 -9.741 1.00 0.00 H ATOM 674 N LEU A 73 -5.946 10.020 -9.853 1.00 14.64 N ATOM 675 CA LEU A 73 -7.029 10.848 -9.378 1.00 15.58 C ATOM 676 C LEU A 73 -7.585 11.695 -10.520 1.00 16.75 C ATOM 677 O LEU A 73 -6.821 12.335 -11.234 1.00 17.48 O ATOM 678 CB LEU A 73 -6.511 11.789 -8.301 1.00 15.51 C ATOM 679 CG LEU A 73 -5.827 11.164 -7.082 1.00 15.42 C ATOM 680 CD1 LEU A 73 -5.417 12.274 -6.145 1.00 15.30 C ATOM 681 CD2 LEU A 73 -6.749 10.190 -6.372 1.00 15.55 C ATOM 682 H LEU A 73 -5.004 10.451 -9.947 1.00 0.00 H ATOM 683 N ARG A 74 -8.908 11.717 -10.662 1.00 17.08 N ATOM 684 CA ARG A 74 -9.578 12.543 -11.642 1.00 17.71 C ATOM 685 C ARG A 74 -9.782 13.932 -11.045 1.00 17.09 C ATOM 686 O ARG A 74 -10.218 14.081 -9.910 1.00 17.91 O ATOM 687 CB ARG A 74 -10.923 11.929 -12.015 1.00 19.54 C ATOM 688 CG ARG A 74 -11.571 12.534 -13.233 1.00 21.88 C ATOM 689 CD ARG A 74 -12.996 12.073 -13.361 1.00 24.57 C ATOM 690 NE ARG A 74 -13.531 12.332 -14.682 1.00 27.72 N ATOM 691 CZ ARG A 74 -13.864 13.532 -15.156 1.00 31.30 C ATOM 692 NH1 ARG A 74 -13.732 14.650 -14.415 1.00 34.27 N ATOM 693 NH2 ARG A 74 -14.335 13.619 -16.402 1.00 30.91 N ATOM 694 HE ARG A 74 -13.666 11.515 -15.311 1.00 0.00 H ATOM 695 HH12 ARG A 74 -14.001 15.572 -14.813 1.00 0.00 H ATOM 696 HH11 ARG A 74 -13.362 14.590 -13.445 1.00 0.00 H ATOM 697 HH22 ARG A 74 -14.602 14.545 -16.794 1.00 0.00 H ATOM 698 HH21 ARG A 74 -14.435 12.761 -16.981 1.00 0.00 H ATOM 699 H ARG A 74 -9.485 11.114 -10.041 1.00 0.00 H ATOM 700 N THR A 75 -9.434 14.941 -11.814 1.00 16.86 N ATOM 701 CA THR A 75 -9.690 16.343 -11.478 1.00 16.92 C ATOM 702 C THR A 75 -10.383 17.058 -12.655 1.00 16.87 C ATOM 703 O THR A 75 -10.147 16.728 -13.833 1.00 17.49 O ATOM 704 CB THR A 75 -8.415 17.132 -11.062 1.00 16.49 C ATOM 705 OG1 THR A 75 -8.760 18.520 -10.956 1.00 16.96 O ATOM 706 CG2 THR A 75 -7.246 16.975 -12.071 1.00 15.99 C ATOM 707 HG1 THR A 75 -7.959 19.039 -10.692 1.00 0.00 H ATOM 708 H THR A 75 -8.950 14.731 -12.710 1.00 0.00 H ATOM 709 N ASP A 76 -11.226 18.024 -12.304 1.00 17.37 N ATOM 710 CA ASP A 76 -11.864 18.923 -13.262 1.00 18.36 C ATOM 711 C ASP A 76 -10.960 20.041 -13.769 1.00 19.01 C ATOM 712 O ASP A 76 -11.286 20.669 -14.785 1.00 19.90 O ATOM 713 CB ASP A 76 -13.132 19.535 -12.675 1.00 18.53 C ATOM 714 CG ASP A 76 -14.126 18.473 -12.239 1.00 19.72 C ATOM 715 OD1 ASP A 76 -14.255 17.459 -12.949 1.00 21.18 O ATOM 716 OD2 ASP A 76 -14.768 18.627 -11.179 1.00 20.88 O ATOM 717 H ASP A 76 -11.443 18.146 -11.294 1.00 0.00 H ATOM 718 N ASP A 77 -9.835 20.293 -13.108 1.00 18.22 N ATOM 719 CA ASP A 77 -8.880 21.307 -13.602 1.00 17.79 C ATOM 720 C ASP A 77 -7.433 20.951 -13.243 1.00 17.34 C ATOM 721 O ASP A 77 -6.954 21.315 -12.154 1.00 17.08 O ATOM 722 CB ASP A 77 -9.236 22.675 -13.017 1.00 17.58 C ATOM 723 CG ASP A 77 -8.456 23.791 -13.652 1.00 17.51 C ATOM 724 OD1 ASP A 77 -7.528 23.527 -14.452 1.00 17.49 O ATOM 725 OD2 ASP A 77 -8.802 24.940 -13.353 1.00 18.21 O ATOM 726 H ASP A 77 -9.624 19.771 -12.234 1.00 0.00 H ATOM 727 N VAL A 78 -6.745 20.251 -14.141 1.00 16.07 N ATOM 728 CA VAL A 78 -5.402 19.797 -13.830 1.00 16.41 C ATOM 729 C VAL A 78 -4.346 20.917 -13.767 1.00 16.64 C ATOM 730 O VAL A 78 -3.436 20.852 -12.932 1.00 15.51 O ATOM 731 CB VAL A 78 -4.932 18.647 -14.732 1.00 15.80 C ATOM 732 CG1 VAL A 78 -4.620 19.134 -16.137 1.00 16.28 C ATOM 733 CG2 VAL A 78 -3.730 17.922 -14.108 1.00 15.40 C ATOM 734 H VAL A 78 -7.169 20.029 -15.064 1.00 0.00 H ATOM 735 N ASP A 79 -4.464 21.931 -14.623 1.00 17.37 N ATOM 736 CA ASP A 79 -3.560 23.092 -14.531 1.00 17.80 C ATOM 737 C ASP A 79 -3.628 23.782 -13.141 1.00 17.67 C ATOM 738 O ASP A 79 -2.616 23.957 -12.454 1.00 16.97 O ATOM 739 CB ASP A 79 -3.826 24.087 -15.662 1.00 18.15 C ATOM 740 CG ASP A 79 -3.536 23.505 -17.031 1.00 18.97 C ATOM 741 OD1 ASP A 79 -2.955 22.403 -17.112 1.00 20.51 O ATOM 742 OD2 ASP A 79 -3.896 24.146 -18.052 1.00 21.83 O ATOM 743 H ASP A 79 -5.197 21.903 -15.360 1.00 0.00 H ATOM 744 N ALA A 80 -4.822 24.095 -12.687 1.00 18.07 N ATOM 745 CA ALA A 80 -4.963 24.788 -11.407 1.00 17.76 C ATOM 746 C ALA A 80 -4.441 23.942 -10.242 1.00 18.41 C ATOM 747 O ALA A 80 -3.818 24.469 -9.277 1.00 17.78 O ATOM 748 CB ALA A 80 -6.408 25.171 -11.179 1.00 18.04 C ATOM 749 H ALA A 80 -5.668 23.849 -13.240 1.00 0.00 H ATOM 750 N ASP A 81 -4.691 22.630 -10.318 1.00 17.46 N ATOM 751 CA ASP A 81 -4.299 21.757 -9.224 1.00 16.12 C ATOM 752 C ASP A 81 -2.793 21.658 -9.122 1.00 16.33 C ATOM 753 O ASP A 81 -2.258 21.677 -8.024 1.00 17.85 O ATOM 754 CB ASP A 81 -4.943 20.379 -9.363 1.00 15.56 C ATOM 755 CG ASP A 81 -6.393 20.353 -8.860 1.00 14.70 C ATOM 756 OD1 ASP A 81 -6.864 21.363 -8.286 1.00 14.61 O ATOM 757 OD2 ASP A 81 -7.061 19.317 -9.023 1.00 13.31 O ATOM 758 H ASP A 81 -5.164 22.236 -11.156 1.00 0.00 H ATOM 759 N CYS A 82 -2.134 21.529 -10.263 1.00 16.74 N ATOM 760 CA CYS A 82 -0.675 21.565 -10.367 1.00 17.32 C ATOM 761 C CYS A 82 -0.093 22.897 -9.862 1.00 17.94 C ATOM 762 O CYS A 82 0.927 22.913 -9.160 1.00 18.06 O ATOM 763 CB CYS A 82 -0.218 21.316 -11.829 1.00 17.00 C ATOM 764 SG CYS A 82 -0.436 19.604 -12.392 1.00 16.82 S ATOM 765 H CYS A 82 -2.685 21.394 -11.135 1.00 0.00 H ATOM 766 N ALA A 83 -0.717 24.011 -10.242 1.00 17.93 N ATOM 767 CA ALA A 83 -0.290 25.315 -9.742 1.00 18.70 C ATOM 768 C ALA A 83 -0.391 25.346 -8.208 1.00 18.58 C ATOM 769 O ALA A 83 0.524 25.797 -7.537 1.00 18.59 O ATOM 770 CB ALA A 83 -1.119 26.448 -10.358 1.00 18.88 C ATOM 771 H ALA A 83 -1.518 23.951 -10.903 1.00 0.00 H ATOM 772 N ARG A 84 -1.498 24.843 -7.678 1.00 18.20 N ATOM 773 CA ARG A 84 -1.718 24.807 -6.242 1.00 18.42 C ATOM 774 C ARG A 84 -0.709 23.932 -5.515 1.00 18.00 C ATOM 775 O ARG A 84 -0.178 24.332 -4.483 1.00 16.93 O ATOM 776 CB ARG A 84 -3.130 24.316 -5.915 1.00 19.50 C ATOM 777 CG ARG A 84 -4.150 25.442 -5.765 1.00 19.75 C ATOM 778 CD ARG A 84 -5.469 24.878 -5.252 1.00 20.75 C ATOM 779 NE ARG A 84 -6.167 24.095 -6.286 1.00 21.01 N ATOM 780 CZ ARG A 84 -6.998 24.582 -7.213 1.00 20.85 C ATOM 781 NH1 ARG A 84 -7.285 25.864 -7.272 1.00 21.15 N ATOM 782 NH2 ARG A 84 -7.554 23.766 -8.091 1.00 21.95 N ATOM 783 HE ARG A 84 -5.998 23.069 -6.296 1.00 0.00 H ATOM 784 HH12 ARG A 84 -7.935 26.218 -8.003 1.00 0.00 H ATOM 785 HH11 ARG A 84 -6.862 26.524 -6.588 1.00 0.00 H ATOM 786 HH22 ARG A 84 -8.201 24.142 -8.813 1.00 0.00 H ATOM 787 HH21 ARG A 84 -7.345 22.748 -8.060 1.00 0.00 H ATOM 788 H ARG A 84 -2.231 24.463 -8.310 1.00 0.00 H ATOM 789 N LEU A 85 -0.454 22.743 -6.048 1.00 17.26 N ATOM 790 CA LEU A 85 0.500 21.851 -5.432 1.00 17.87 C ATOM 791 C LEU A 85 1.861 22.477 -5.360 1.00 18.22 C ATOM 792 O LEU A 85 2.467 22.450 -4.301 1.00 17.95 O ATOM 793 CB LEU A 85 0.580 20.522 -6.169 1.00 17.70 C ATOM 794 CG LEU A 85 -0.657 19.655 -5.948 1.00 17.98 C ATOM 795 CD1 LEU A 85 -0.758 18.604 -7.063 1.00 18.41 C ATOM 796 CD2 LEU A 85 -0.649 18.998 -4.572 1.00 17.51 C ATOM 797 H LEU A 85 -0.946 22.451 -6.917 1.00 0.00 H ATOM 798 N GLN A 86 2.314 23.047 -6.476 1.00 19.04 N ATOM 799 CA GLN A 86 3.613 23.718 -6.566 1.00 20.25 C ATOM 800 C GLN A 86 3.676 24.839 -5.514 1.00 19.66 C ATOM 801 O GLN A 86 4.682 24.967 -4.809 1.00 19.49 O ATOM 802 CB GLN A 86 3.836 24.266 -8.008 1.00 21.20 C ATOM 803 CG GLN A 86 5.172 24.964 -8.258 1.00 23.70 C ATOM 804 CD GLN A 86 5.313 25.606 -9.660 1.00 25.51 C ATOM 805 OE1 GLN A 86 4.580 26.545 -9.989 1.00 27.22 O ATOM 806 NE2 GLN A 86 6.274 25.121 -10.472 1.00 25.22 N ATOM 807 HE22 GLN A 86 6.870 24.329 -10.157 1.00 0.00 H ATOM 808 HE21 GLN A 86 6.419 25.539 -11.413 1.00 0.00 H ATOM 809 H GLN A 86 1.715 23.014 -7.326 1.00 0.00 H ATOM 810 N GLU A 87 2.589 25.607 -5.403 1.00 19.46 N ATOM 811 CA GLU A 87 2.431 26.704 -4.430 1.00 20.03 C ATOM 812 C GLU A 87 2.627 26.166 -3.021 1.00 19.03 C ATOM 813 O GLU A 87 3.326 26.763 -2.203 1.00 17.39 O ATOM 814 CB GLU A 87 1.032 27.351 -4.582 1.00 22.04 C ATOM 815 CG GLU A 87 0.649 28.427 -3.564 1.00 25.13 C ATOM 816 CD GLU A 87 -0.659 29.182 -3.908 1.00 26.57 C ATOM 817 OE1 GLU A 87 -1.734 28.558 -4.186 1.00 28.59 O ATOM 818 OE2 GLU A 87 -0.618 30.428 -3.862 1.00 28.79 O ATOM 819 H GLU A 87 1.797 25.418 -6.049 1.00 0.00 H ATOM 820 N ARG A 88 2.049 24.994 -2.779 1.00 18.04 N ATOM 821 CA ARG A 88 2.108 24.324 -1.502 1.00 17.41 C ATOM 822 C ARG A 88 3.371 23.526 -1.269 1.00 15.98 C ATOM 823 O ARG A 88 3.461 22.805 -0.274 1.00 15.71 O ATOM 824 CB ARG A 88 0.884 23.421 -1.379 1.00 18.44 C ATOM 825 CG ARG A 88 -0.385 24.239 -1.321 1.00 19.53 C ATOM 826 CD ARG A 88 -1.589 23.351 -1.451 1.00 20.89 C ATOM 827 NE ARG A 88 -2.797 24.148 -1.577 1.00 22.21 N ATOM 828 CZ ARG A 88 -4.030 23.660 -1.524 1.00 23.56 C ATOM 829 NH1 ARG A 88 -5.059 24.477 -1.663 1.00 24.53 N ATOM 830 NH2 ARG A 88 -4.252 22.356 -1.353 1.00 24.80 N ATOM 831 HE ARG A 88 -2.688 25.173 -1.719 1.00 0.00 H ATOM 832 HH12 ARG A 88 -6.029 24.103 -1.623 1.00 0.00 H ATOM 833 HH11 ARG A 88 -4.899 25.494 -1.813 1.00 0.00 H ATOM 834 HH22 ARG A 88 -5.227 21.995 -1.314 1.00 0.00 H ATOM 835 HH21 ARG A 88 -3.450 21.700 -1.258 1.00 0.00 H ATOM 836 H ARG A 88 1.526 24.535 -3.552 1.00 0.00 H ATOM 837 N GLY A 89 4.351 23.653 -2.156 1.00 14.83 N ATOM 838 CA GLY A 89 5.693 23.094 -1.925 1.00 14.50 C ATOM 839 C GLY A 89 5.837 21.625 -2.256 1.00 14.42 C ATOM 840 O GLY A 89 6.629 20.911 -1.626 1.00 13.61 O ATOM 841 H GLY A 89 4.164 24.164 -3.042 1.00 0.00 H ATOM 842 N VAL A 90 5.063 21.167 -3.236 1.00 15.02 N ATOM 843 CA VAL A 90 5.176 19.832 -3.779 1.00 15.70 C ATOM 844 C VAL A 90 5.715 19.901 -5.222 1.00 16.87 C ATOM 845 O VAL A 90 5.278 20.731 -6.042 1.00 17.19 O ATOM 846 CB VAL A 90 3.811 19.141 -3.784 1.00 16.01 C ATOM 847 CG1 VAL A 90 3.931 17.741 -4.393 1.00 16.78 C ATOM 848 CG2 VAL A 90 3.242 19.081 -2.363 1.00 15.68 C ATOM 849 H VAL A 90 4.340 21.801 -3.632 1.00 0.00 H ATOM 850 N ALA A 91 6.617 18.976 -5.532 1.00 17.49 N ATOM 851 CA ALA A 91 7.165 18.800 -6.859 1.00 17.63 C ATOM 852 C ALA A 91 6.136 18.134 -7.751 1.00 17.83 C ATOM 853 O ALA A 91 5.657 17.051 -7.442 1.00 20.03 O ATOM 854 CB ALA A 91 8.410 17.918 -6.786 1.00 17.31 C ATOM 855 H ALA A 91 6.948 18.342 -4.777 1.00 0.00 H ATOM 856 N VAL A 92 5.815 18.767 -8.868 1.00 19.18 N ATOM 857 CA VAL A 92 4.882 18.207 -9.848 1.00 19.57 C ATOM 858 C VAL A 92 5.620 17.963 -11.165 1.00 20.56 C ATOM 859 O VAL A 92 6.437 18.766 -11.619 1.00 20.43 O ATOM 860 CB VAL A 92 3.646 19.107 -10.052 1.00 19.91 C ATOM 861 CG1 VAL A 92 2.642 18.484 -11.014 1.00 19.43 C ATOM 862 CG2 VAL A 92 2.959 19.339 -8.709 1.00 20.49 C ATOM 863 H VAL A 92 6.241 19.697 -9.057 1.00 0.00 H ATOM 864 N ASP A 93 5.330 16.810 -11.748 1.00 21.50 N ATOM 865 CA ASP A 93 5.777 16.449 -13.063 1.00 22.45 C ATOM 866 C ASP A 93 4.553 16.490 -14.003 1.00 21.88 C ATOM 867 O ASP A 93 3.672 15.631 -13.930 1.00 22.92 O ATOM 868 CB ASP A 93 6.397 15.059 -12.954 1.00 24.83 C ATOM 869 CG ASP A 93 6.846 14.514 -14.267 1.00 26.38 C ATOM 870 OD1 ASP A 93 6.998 15.295 -15.238 1.00 25.18 O ATOM 871 OD2 ASP A 93 7.049 13.275 -14.301 1.00 29.89 O ATOM 872 H ASP A 93 4.746 16.128 -11.224 1.00 0.00 H ATOM 873 N GLY A 94 4.504 17.488 -14.876 1.00 19.85 N ATOM 874 CA GLY A 94 3.380 17.674 -15.772 1.00 19.73 C ATOM 875 C GLY A 94 2.861 19.074 -15.560 1.00 19.47 C ATOM 876 O GLY A 94 3.483 19.820 -14.865 1.00 18.04 O ATOM 877 H GLY A 94 5.298 18.159 -14.919 1.00 0.00 H ATOM 878 N PRO A 95 1.725 19.454 -16.132 1.00 21.92 N ATOM 879 CA PRO A 95 0.866 18.579 -16.906 1.00 24.56 C ATOM 880 C PRO A 95 1.303 18.345 -18.367 1.00 26.72 C ATOM 881 O PRO A 95 1.685 19.303 -19.053 1.00 26.52 O ATOM 882 CB PRO A 95 -0.496 19.278 -16.836 1.00 24.21 C ATOM 883 CG PRO A 95 -0.214 20.705 -16.522 1.00 23.36 C ATOM 884 CD PRO A 95 1.186 20.820 -16.019 1.00 22.84 C ATOM 885 N LYS A 96 1.237 17.073 -18.802 1.00 28.99 N ATOM 886 CA LYS A 96 1.418 16.661 -20.190 1.00 29.44 C ATOM 887 C LYS A 96 0.094 16.107 -20.724 1.00 29.47 C ATOM 888 O LYS A 96 -0.675 15.494 -19.985 1.00 28.80 O ATOM 889 CB LYS A 96 2.456 15.533 -20.362 1.00 31.21 C ATOM 890 CG LYS A 96 3.561 15.365 -19.343 1.00 35.25 C ATOM 891 CD LYS A 96 4.606 16.459 -19.378 1.00 38.03 C ATOM 892 CE LYS A 96 5.802 16.062 -18.506 1.00 41.88 C ATOM 893 NZ LYS A 96 6.541 17.225 -17.904 1.00 41.79 N ATOM 894 HZ1 LYS A 96 6.906 17.833 -18.664 1.00 0.00 H ATOM 895 HZ2 LYS A 96 5.893 17.772 -17.302 1.00 0.00 H ATOM 896 HZ3 LYS A 96 7.333 16.871 -17.330 1.00 0.00 H ATOM 897 H LYS A 96 1.043 16.331 -18.099 1.00 0.00 H ATOM 898 N ASN A 97 -0.134 16.277 -22.025 1.00 28.08 N ATOM 899 CA ASN A 97 -1.259 15.637 -22.695 1.00 27.05 C ATOM 900 C ASN A 97 -0.935 14.176 -22.974 1.00 25.79 C ATOM 901 O ASN A 97 0.233 13.816 -23.124 1.00 25.00 O ATOM 902 CB ASN A 97 -1.585 16.362 -23.990 1.00 26.65 C ATOM 903 CG ASN A 97 -2.121 17.750 -23.752 1.00 26.87 C ATOM 904 OD1 ASN A 97 -2.662 18.042 -22.696 1.00 27.03 O ATOM 905 ND2 ASN A 97 -1.956 18.623 -24.726 1.00 28.11 N ATOM 906 HD22 ASN A 97 -1.490 18.334 -25.610 1.00 0.00 H ATOM 907 HD21 ASN A 97 -2.292 19.601 -24.611 1.00 0.00 H ATOM 908 H ASN A 97 0.507 16.882 -22.577 1.00 0.00 H ATOM 909 N THR A 98 -1.972 13.347 -22.978 1.00 23.16 N ATOM 910 CA THR A 98 -1.856 11.926 -23.281 1.00 24.67 C ATOM 911 C THR A 98 -3.120 11.501 -24.035 1.00 26.63 C ATOM 912 O THR A 98 -4.127 12.238 -24.029 1.00 24.09 O ATOM 913 CB THR A 98 -1.752 11.092 -21.993 1.00 24.76 C ATOM 914 OG1 THR A 98 -2.970 11.210 -21.243 1.00 21.50 O ATOM 915 CG2 THR A 98 -0.568 11.547 -21.124 1.00 23.95 C ATOM 916 HG1 THR A 98 -3.121 12.160 -21.009 1.00 0.00 H ATOM 917 H THR A 98 -2.913 13.730 -22.754 1.00 0.00 H ATOM 918 N PRO A 99 -3.118 10.295 -24.636 1.00 29.41 N ATOM 919 CA PRO A 99 -4.340 9.811 -25.331 1.00 32.57 C ATOM 920 C PRO A 99 -5.651 9.815 -24.493 1.00 34.95 C ATOM 921 O PRO A 99 -6.752 9.857 -25.066 1.00 36.18 O ATOM 922 CB PRO A 99 -3.976 8.359 -25.700 1.00 30.89 C ATOM 923 CG PRO A 99 -2.511 8.352 -25.765 1.00 30.69 C ATOM 924 CD PRO A 99 -2.037 9.303 -24.710 1.00 30.05 C ATOM 925 N TRP A 100 -5.508 9.800 -23.164 1.00 34.96 N ATOM 926 CA TRP A 100 -6.609 9.603 -22.225 1.00 35.72 C ATOM 927 C TRP A 100 -6.916 10.827 -21.372 1.00 34.94 C ATOM 928 O TRP A 100 -7.747 10.737 -20.465 1.00 36.32 O ATOM 929 CB TRP A 100 -6.251 8.447 -21.293 1.00 37.33 C ATOM 930 CG TRP A 100 -5.368 7.457 -21.954 1.00 39.18 C ATOM 931 CD1 TRP A 100 -5.721 6.531 -22.907 1.00 40.21 C ATOM 932 CD2 TRP A 100 -3.963 7.327 -21.762 1.00 39.25 C ATOM 933 NE1 TRP A 100 -4.612 5.810 -23.296 1.00 40.36 N ATOM 934 CE2 TRP A 100 -3.516 6.286 -22.618 1.00 40.56 C ATOM 935 CE3 TRP A 100 -3.034 7.988 -20.953 1.00 40.26 C ATOM 936 CZ2 TRP A 100 -2.177 5.888 -22.678 1.00 40.06 C ATOM 937 CZ3 TRP A 100 -1.709 7.598 -21.012 1.00 42.59 C ATOM 938 CH2 TRP A 100 -1.290 6.556 -21.872 1.00 41.80 C ATOM 939 HE1 TRP A 100 -4.606 5.034 -23.988 1.00 0.00 H ATOM 940 H TRP A 100 -4.553 9.937 -22.775 1.00 0.00 H ATOM 941 N GLY A 101 -6.241 11.950 -21.635 1.00 31.77 N ATOM 942 CA GLY A 101 -6.484 13.206 -20.920 1.00 30.43 C ATOM 943 C GLY A 101 -5.211 13.904 -20.486 1.00 29.73 C ATOM 944 O GLY A 101 -4.098 13.412 -20.688 1.00 30.27 O ATOM 945 H GLY A 101 -5.513 11.932 -22.378 1.00 0.00 H ATOM 946 N ARG A 102 -5.385 15.057 -19.866 1.00 28.20 N ATOM 947 CA ARG A 102 -4.257 15.870 -19.456 1.00 27.48 C ATOM 948 C ARG A 102 -3.799 15.426 -18.065 1.00 27.09 C ATOM 949 O ARG A 102 -4.607 15.432 -17.132 1.00 26.29 O ATOM 950 CB ARG A 102 -4.661 17.336 -19.490 1.00 26.69 C ATOM 951 CG ARG A 102 -3.488 18.304 -19.425 1.00 27.09 C ATOM 952 CD ARG A 102 -3.915 19.698 -19.867 1.00 27.03 C ATOM 953 NE ARG A 102 -2.913 20.707 -19.549 1.00 27.76 N ATOM 954 CZ ARG A 102 -1.716 20.832 -20.143 1.00 27.21 C ATOM 955 NH1 ARG A 102 -1.308 19.996 -21.107 1.00 26.85 N ATOM 956 NH2 ARG A 102 -0.903 21.803 -19.751 1.00 25.66 N ATOM 957 HE ARG A 102 -3.145 21.388 -18.798 1.00 0.00 H ATOM 958 HH12 ARG A 102 -0.373 20.124 -21.545 1.00 0.00 H ATOM 959 HH11 ARG A 102 -1.926 19.219 -21.418 1.00 0.00 H ATOM 960 HH22 ARG A 102 0.028 21.915 -20.200 1.00 0.00 H ATOM 961 HH21 ARG A 102 -1.196 22.453 -18.994 1.00 0.00 H ATOM 962 H ARG A 102 -6.351 15.388 -19.668 1.00 0.00 H ATOM 963 N GLN A 103 -2.522 15.054 -17.918 1.00 25.26 N ATOM 964 CA GLN A 103 -2.072 14.366 -16.709 1.00 26.26 C ATOM 965 C GLN A 103 -0.815 14.903 -16.052 1.00 26.03 C ATOM 966 O GLN A 103 0.036 15.475 -16.714 1.00 28.75 O ATOM 967 CB GLN A 103 -1.834 12.895 -17.016 1.00 27.91 C ATOM 968 CG GLN A 103 -3.128 12.160 -17.316 1.00 29.41 C ATOM 969 CD GLN A 103 -3.006 10.649 -17.297 1.00 29.56 C ATOM 970 OE1 GLN A 103 -3.707 9.966 -18.032 1.00 31.00 O ATOM 971 NE2 GLN A 103 -2.152 10.123 -16.430 1.00 30.26 N ATOM 972 HE22 GLN A 103 -1.577 10.743 -15.825 1.00 0.00 H ATOM 973 HE21 GLN A 103 -2.058 9.090 -16.355 1.00 0.00 H ATOM 974 H GLN A 103 -1.839 15.257 -18.676 1.00 0.00 H ATOM 975 N ALA A 104 -0.697 14.671 -14.749 1.00 23.75 N ATOM 976 CA ALA A 104 0.493 15.053 -13.958 1.00 23.35 C ATOM 977 C ALA A 104 0.827 13.987 -12.901 1.00 22.13 C ATOM 978 O ALA A 104 0.012 13.130 -12.615 1.00 20.34 O ATOM 979 CB ALA A 104 0.284 16.403 -13.286 1.00 22.54 C ATOM 980 H ALA A 104 -1.482 14.196 -14.260 1.00 0.00 H ATOM 981 N MET A 105 2.029 14.055 -12.343 1.00 22.75 N ATOM 982 CA MET A 105 2.469 13.133 -11.294 1.00 24.02 C ATOM 983 C MET A 105 3.193 13.859 -10.163 1.00 21.63 C ATOM 984 O MET A 105 3.888 14.848 -10.377 1.00 21.13 O ATOM 985 CB MET A 105 3.411 12.088 -11.870 1.00 27.76 C ATOM 986 CG MET A 105 2.750 10.785 -12.306 1.00 32.83 C ATOM 987 SD MET A 105 3.990 9.708 -13.101 1.00 42.00 S ATOM 988 CE MET A 105 5.418 9.757 -12.002 1.00 40.02 C ATOM 989 H MET A 105 2.686 14.794 -12.664 1.00 0.00 H ATOM 990 N PHE A 106 3.012 13.343 -8.956 1.00 18.95 N ATOM 991 CA PHE A 106 3.742 13.783 -7.787 1.00 17.46 C ATOM 992 C PHE A 106 3.784 12.621 -6.831 1.00 17.33 C ATOM 993 O PHE A 106 3.230 11.549 -7.121 1.00 17.20 O ATOM 994 CB PHE A 106 3.115 15.060 -7.151 1.00 16.76 C ATOM 995 CG PHE A 106 1.705 14.877 -6.641 1.00 15.19 C ATOM 996 CD1 PHE A 106 0.627 14.909 -7.501 1.00 14.46 C ATOM 997 CD2 PHE A 106 1.463 14.668 -5.285 1.00 14.82 C ATOM 998 CE1 PHE A 106 -0.673 14.724 -7.019 1.00 14.47 C ATOM 999 CE2 PHE A 106 0.170 14.481 -4.799 1.00 14.12 C ATOM 1000 CZ PHE A 106 -0.900 14.520 -5.663 1.00 14.27 C ATOM 1001 H PHE A 106 2.310 12.584 -8.843 1.00 0.00 H ATOM 1002 N SER A 107 4.469 12.818 -5.709 1.00 16.61 N ATOM 1003 CA SER A 107 4.678 11.763 -4.727 1.00 16.34 C ATOM 1004 C SER A 107 4.321 12.242 -3.321 1.00 15.62 C ATOM 1005 O SER A 107 4.325 13.443 -3.057 1.00 15.42 O ATOM 1006 CB SER A 107 6.129 11.290 -4.776 1.00 16.96 C ATOM 1007 OG SER A 107 6.987 12.379 -4.568 1.00 16.98 O ATOM 1008 HG SER A 107 6.837 13.055 -5.275 1.00 0.00 H ATOM 1009 H SER A 107 4.870 13.760 -5.526 1.00 0.00 H ATOM 1010 N ASP A 108 3.958 11.312 -2.441 1.00 15.11 N ATOM 1011 CA ASP A 108 3.647 11.654 -1.044 1.00 15.15 C ATOM 1012 C ASP A 108 4.956 11.556 -0.198 1.00 15.16 C ATOM 1013 O ASP A 108 6.024 11.270 -0.758 1.00 13.90 O ATOM 1014 CB ASP A 108 2.479 10.782 -0.545 1.00 15.42 C ATOM 1015 CG ASP A 108 2.893 9.348 -0.172 1.00 15.21 C ATOM 1016 OD1 ASP A 108 4.070 8.979 -0.364 1.00 14.43 O ATOM 1017 OD2 ASP A 108 2.002 8.603 0.315 1.00 15.11 O ATOM 1018 H ASP A 108 3.893 10.320 -2.748 1.00 0.00 H ATOM 1019 N PRO A 109 4.885 11.791 1.137 1.00 15.39 N ATOM 1020 CA PRO A 109 6.142 11.874 1.896 1.00 15.53 C ATOM 1021 C PRO A 109 6.925 10.570 1.985 1.00 16.47 C ATOM 1022 O PRO A 109 8.121 10.621 2.261 1.00 17.45 O ATOM 1023 CB PRO A 109 5.685 12.316 3.283 1.00 16.04 C ATOM 1024 CG PRO A 109 4.438 13.116 3.009 1.00 16.35 C ATOM 1025 CD PRO A 109 3.754 12.320 1.922 1.00 16.06 C ATOM 1026 N ASP A 110 6.252 9.431 1.791 1.00 16.12 N ATOM 1027 CA ASP A 110 6.906 8.106 1.680 1.00 16.17 C ATOM 1028 C ASP A 110 7.349 7.666 0.285 1.00 16.25 C ATOM 1029 O ASP A 110 8.095 6.699 0.180 1.00 15.40 O ATOM 1030 CB ASP A 110 6.012 7.027 2.292 1.00 16.12 C ATOM 1031 CG ASP A 110 6.065 7.050 3.781 1.00 16.99 C ATOM 1032 OD1 ASP A 110 7.151 6.749 4.302 1.00 17.30 O ATOM 1033 OD2 ASP A 110 5.049 7.392 4.440 1.00 17.90 O ATOM 1034 H ASP A 110 5.216 9.477 1.714 1.00 0.00 H ATOM 1035 N GLY A 111 6.911 8.376 -0.768 1.00 16.47 N ATOM 1036 CA GLY A 111 7.325 8.081 -2.157 1.00 15.37 C ATOM 1037 C GLY A 111 6.276 7.345 -2.981 1.00 15.20 C ATOM 1038 O GLY A 111 6.560 6.922 -4.104 1.00 15.23 O ATOM 1039 H GLY A 111 6.254 9.165 -0.600 1.00 0.00 H ATOM 1040 N ASN A 112 5.064 7.188 -2.441 1.00 14.68 N ATOM 1041 CA ASN A 112 3.958 6.633 -3.209 1.00 14.31 C ATOM 1042 C ASN A 112 3.675 7.675 -4.248 1.00 14.85 C ATOM 1043 O ASN A 112 3.768 8.867 -3.976 1.00 14.89 O ATOM 1044 CB ASN A 112 2.684 6.438 -2.380 1.00 14.21 C ATOM 1045 CG ASN A 112 2.841 5.432 -1.251 1.00 13.78 C ATOM 1046 OD1 ASN A 112 3.084 4.258 -1.459 1.00 13.31 O ATOM 1047 ND2 ASN A 112 2.656 5.902 -0.047 1.00 14.36 N ATOM 1048 HD22 ASN A 112 2.450 6.912 0.091 1.00 0.00 H ATOM 1049 HD21 ASN A 112 2.714 5.266 0.774 1.00 0.00 H ATOM 1050 H ASN A 112 4.907 7.468 -1.452 1.00 0.00 H ATOM 1051 N VAL A 113 3.295 7.218 -5.427 1.00 14.80 N ATOM 1052 CA VAL A 113 3.200 8.067 -6.612 1.00 14.93 C ATOM 1053 C VAL A 113 1.734 8.202 -7.019 1.00 15.05 C ATOM 1054 O VAL A 113 1.051 7.186 -7.275 1.00 16.49 O ATOM 1055 CB VAL A 113 4.023 7.452 -7.756 1.00 14.24 C ATOM 1056 CG1 VAL A 113 3.864 8.252 -9.019 1.00 14.44 C ATOM 1057 CG2 VAL A 113 5.492 7.381 -7.345 1.00 14.29 C ATOM 1058 H VAL A 113 3.053 6.210 -5.516 1.00 0.00 H ATOM 1059 N ILE A 114 1.282 9.444 -7.096 1.00 13.78 N ATOM 1060 CA ILE A 114 -0.099 9.775 -7.338 1.00 13.50 C ATOM 1061 C ILE A 114 -0.179 10.515 -8.671 1.00 13.71 C ATOM 1062 O ILE A 114 0.579 11.495 -8.906 1.00 14.06 O ATOM 1063 CB ILE A 114 -0.643 10.684 -6.199 1.00 13.17 C ATOM 1064 CG1 ILE A 114 -0.479 9.998 -4.832 1.00 13.49 C ATOM 1065 CG2 ILE A 114 -2.112 10.998 -6.394 1.00 12.88 C ATOM 1066 CD1 ILE A 114 -0.577 10.912 -3.606 1.00 13.39 C ATOM 1067 H ILE A 114 1.961 10.223 -6.975 1.00 0.00 H ATOM 1068 N GLY A 115 -1.089 10.067 -9.539 1.00 13.19 N ATOM 1069 CA GLY A 115 -1.415 10.790 -10.744 1.00 13.44 C ATOM 1070 C GLY A 115 -2.628 11.712 -10.612 1.00 14.19 C ATOM 1071 O GLY A 115 -3.552 11.446 -9.833 1.00 13.61 O ATOM 1072 H GLY A 115 -1.577 9.170 -9.341 1.00 0.00 H ATOM 1073 N LEU A 116 -2.610 12.796 -11.386 1.00 14.70 N ATOM 1074 CA LEU A 116 -3.786 13.617 -11.687 1.00 15.80 C ATOM 1075 C LEU A 116 -4.187 13.356 -13.170 1.00 15.88 C ATOM 1076 O LEU A 116 -3.314 13.159 -14.004 1.00 15.73 O ATOM 1077 CB LEU A 116 -3.483 15.116 -11.460 1.00 15.69 C ATOM 1078 CG LEU A 116 -3.353 15.601 -9.987 1.00 16.76 C ATOM 1079 CD1 LEU A 116 -2.985 17.091 -9.851 1.00 16.25 C ATOM 1080 CD2 LEU A 116 -4.601 15.306 -9.170 1.00 16.50 C ATOM 1081 H LEU A 116 -1.701 13.078 -11.805 1.00 0.00 H ATOM 1082 N ASN A 117 -5.485 13.304 -13.473 1.00 15.91 N ATOM 1083 CA ASN A 117 -5.959 13.268 -14.846 1.00 17.73 C ATOM 1084 C ASN A 117 -7.234 14.101 -15.050 1.00 19.06 C ATOM 1085 O ASN A 117 -8.222 13.939 -14.330 1.00 18.23 O ATOM 1086 CB ASN A 117 -6.181 11.832 -15.349 1.00 18.41 C ATOM 1087 CG ASN A 117 -6.568 11.780 -16.838 1.00 19.26 C ATOM 1088 OD1 ASN A 117 -6.214 12.659 -17.644 1.00 21.46 O ATOM 1089 ND2 ASN A 117 -7.278 10.752 -17.210 1.00 19.52 N ATOM 1090 HD22 ASN A 117 -7.558 10.034 -16.512 1.00 0.00 H ATOM 1091 HD21 ASN A 117 -7.564 10.650 -18.205 1.00 0.00 H ATOM 1092 H ASN A 117 -6.181 13.289 -12.700 1.00 0.00 H ATOM 1093 N GLN A 118 -7.189 14.989 -16.040 1.00 20.88 N ATOM 1094 CA GLN A 118 -8.377 15.731 -16.491 1.00 24.73 C ATOM 1095 C GLN A 118 -8.709 15.209 -17.882 1.00 27.52 C ATOM 1096 O GLN A 118 -7.983 15.541 -18.816 1.00 29.00 O ATOM 1097 CB GLN A 118 -8.128 17.241 -16.534 1.00 23.65 C ATOM 1098 CG GLN A 118 -9.284 18.008 -17.179 1.00 24.28 C ATOM 1099 CD GLN A 118 -9.102 19.516 -17.176 1.00 24.86 C ATOM 1100 OE1 GLN A 118 -8.400 20.077 -16.342 1.00 28.26 O ATOM 1101 NE2 GLN A 118 -9.726 20.177 -18.118 1.00 25.52 N ATOM 1102 HE22 GLN A 118 -10.313 19.668 -18.809 1.00 0.00 H ATOM 1103 HE21 GLN A 118 -9.634 21.211 -18.175 1.00 0.00 H ATOM 1104 H GLN A 118 -6.280 15.165 -16.513 1.00 0.00 H ATOM 1105 N PRO A 119 -9.772 14.381 -18.025 1.00 30.90 N ATOM 1106 CA PRO A 119 -10.077 13.794 -19.344 1.00 35.37 C ATOM 1107 C PRO A 119 -10.564 14.800 -20.394 1.00 38.33 C ATOM 1108 O PRO A 119 -11.051 15.888 -20.058 1.00 38.79 O ATOM 1109 CB PRO A 119 -11.181 12.765 -19.030 1.00 34.71 C ATOM 1110 CG PRO A 119 -10.985 12.459 -17.585 1.00 33.85 C ATOM 1111 CD PRO A 119 -10.659 13.807 -17.000 1.00 32.28 C ATOM 1112 N SER A 120 -10.451 14.400 -21.653 1.00 41.18 N ATOM 1113 CA SER A 120 -10.627 15.305 -22.794 1.00 46.43 C ATOM 1114 C SER A 120 -12.064 15.841 -22.969 1.00 45.33 C ATOM 1115 O SER A 120 -13.013 15.082 -23.185 1.00 44.59 O ATOM 1116 CB SER A 120 -10.148 14.593 -24.063 1.00 50.72 C ATOM 1117 OG SER A 120 -9.123 13.639 -23.746 1.00 54.08 O ATOM 1118 HG SER A 120 -8.825 13.189 -24.576 1.00 0.00 H ATOM 1119 H SER A 120 -10.228 13.402 -21.840 1.00 0.00 H TER 1120 SER A 120 ATOM 1121 N HIS B 0 -9.438 25.593 -2.743 1.00 30.86 N ATOM 1122 CA HIS B 0 -9.831 24.140 -2.689 1.00 30.08 C ATOM 1123 C HIS B 0 -9.284 23.436 -3.944 1.00 27.01 C ATOM 1124 O HIS B 0 -9.202 24.060 -4.993 1.00 26.62 O ATOM 1125 CB HIS B 0 -11.362 23.964 -2.552 1.00 32.59 C ATOM 1126 CG HIS B 0 -11.845 23.730 -1.138 1.00 36.46 C ATOM 1127 ND1 HIS B 0 -11.826 24.709 -0.160 1.00 38.03 N ATOM 1128 CD2 HIS B 0 -12.409 22.634 -0.555 1.00 38.33 C ATOM 1129 CE1 HIS B 0 -12.323 24.220 0.968 1.00 37.56 C ATOM 1130 NE2 HIS B 0 -12.695 22.966 0.752 1.00 38.33 N ATOM 1131 HN3 HIS B 0 -9.841 26.028 -3.597 1.00 0.00 H ATOM 1132 HN2 HIS B 0 -8.401 25.670 -2.769 1.00 0.00 H ATOM 1133 HN1 HIS B 0 -9.802 26.081 -1.900 1.00 0.00 H ATOM 1134 N MET B 1 -8.882 22.169 -3.839 1.00 23.74 N ATOM 1135 CA MET B 1 -8.483 21.417 -5.040 1.00 23.04 C ATOM 1136 C MET B 1 -9.720 21.019 -5.903 1.00 21.59 C ATOM 1137 O MET B 1 -10.821 20.923 -5.388 1.00 21.26 O ATOM 1138 CB MET B 1 -7.642 20.196 -4.659 1.00 22.92 C ATOM 1139 CG MET B 1 -6.239 20.548 -4.168 1.00 22.96 C ATOM 1140 SD MET B 1 -5.096 21.134 -5.438 1.00 22.09 S ATOM 1141 CE MET B 1 -4.178 19.692 -5.869 1.00 24.70 C ATOM 1142 H MET B 1 -8.850 21.711 -2.906 1.00 0.00 H ATOM 1143 N ALA B 2 -9.514 20.836 -7.211 1.00 19.05 N ATOM 1144 CA ALA B 2 -10.551 20.426 -8.176 1.00 18.07 C ATOM 1145 C ALA B 2 -10.652 18.880 -8.379 1.00 17.18 C ATOM 1146 O ALA B 2 -11.345 18.397 -9.275 1.00 16.55 O ATOM 1147 CB ALA B 2 -10.293 21.107 -9.516 1.00 17.68 C ATOM 1148 H ALA B 2 -8.553 20.994 -7.575 1.00 0.00 H ATOM 1149 N ILE B 3 -9.952 18.126 -7.540 1.00 15.72 N ATOM 1150 CA ILE B 3 -10.021 16.674 -7.555 1.00 14.94 C ATOM 1151 C ILE B 3 -11.434 16.251 -7.104 1.00 14.37 C ATOM 1152 O ILE B 3 -11.886 16.683 -6.029 1.00 13.37 O ATOM 1153 CB ILE B 3 -9.006 16.076 -6.575 1.00 14.20 C ATOM 1154 CG1 ILE B 3 -7.599 16.450 -6.975 1.00 14.29 C ATOM 1155 CG2 ILE B 3 -9.079 14.555 -6.559 1.00 14.56 C ATOM 1156 CD1 ILE B 3 -6.588 16.249 -5.884 1.00 14.71 C ATOM 1157 H ILE B 3 -9.332 18.591 -6.847 1.00 0.00 H ATOM 1158 N SER B 4 -12.101 15.439 -7.926 1.00 13.55 N ATOM 1159 CA SER B 4 -13.461 14.944 -7.638 1.00 13.89 C ATOM 1160 C SER B 4 -13.484 13.535 -7.029 1.00 14.03 C ATOM 1161 O SER B 4 -14.240 13.286 -6.058 1.00 14.51 O ATOM 1162 CB SER B 4 -14.309 14.949 -8.911 1.00 13.98 C ATOM 1163 OG SER B 4 -14.012 13.825 -9.709 1.00 15.05 O ATOM 1164 HG SER B 4 -14.204 12.999 -9.198 1.00 0.00 H ATOM 1165 H SER B 4 -11.641 15.141 -8.810 1.00 0.00 H ATOM 1166 N HIS B 5 -12.663 12.627 -7.588 1.00 13.22 N ATOM 1167 CA HIS B 5 -12.569 11.272 -7.085 1.00 13.13 C ATOM 1168 C HIS B 5 -11.323 10.513 -7.594 1.00 13.00 C ATOM 1169 O HIS B 5 -10.614 10.989 -8.493 1.00 12.98 O ATOM 1170 CB HIS B 5 -13.851 10.521 -7.432 1.00 13.19 C ATOM 1171 CG HIS B 5 -14.095 10.393 -8.901 1.00 13.30 C ATOM 1172 ND1 HIS B 5 -14.712 11.374 -9.641 1.00 13.23 N ATOM 1173 CD2 HIS B 5 -13.768 9.413 -9.772 1.00 13.40 C ATOM 1174 CE1 HIS B 5 -14.792 10.984 -10.895 1.00 13.01 C ATOM 1175 NE2 HIS B 5 -14.209 9.805 -11.004 1.00 12.87 N ATOM 1176 H HIS B 5 -12.080 12.906 -8.403 1.00 0.00 H ATOM 1177 N VAL B 6 -11.044 9.348 -6.996 1.00 12.91 N ATOM 1178 CA VAL B 6 -10.043 8.427 -7.526 1.00 12.62 C ATOM 1179 C VAL B 6 -10.640 7.797 -8.785 1.00 13.12 C ATOM 1180 O VAL B 6 -11.613 7.039 -8.715 1.00 12.92 O ATOM 1181 CB VAL B 6 -9.684 7.266 -6.562 1.00 12.94 C ATOM 1182 CG1 VAL B 6 -8.677 6.279 -7.200 1.00 12.12 C ATOM 1183 CG2 VAL B 6 -9.117 7.804 -5.249 1.00 12.77 C ATOM 1184 H VAL B 6 -11.556 9.091 -6.128 1.00 0.00 H ATOM 1185 N GLN B 7 -10.003 8.068 -9.919 1.00 13.50 N ATOM 1186 CA GLN B 7 -10.423 7.503 -11.213 1.00 13.60 C ATOM 1187 C GLN B 7 -10.140 6.023 -11.246 1.00 13.72 C ATOM 1188 O GLN B 7 -11.026 5.223 -11.591 1.00 13.52 O ATOM 1189 CB GLN B 7 -9.667 8.175 -12.333 1.00 13.71 C ATOM 1190 CG GLN B 7 -10.310 7.972 -13.682 1.00 14.51 C ATOM 1191 CD GLN B 7 -9.507 8.493 -14.866 1.00 14.62 C ATOM 1192 OE1 GLN B 7 -9.586 7.928 -15.957 1.00 15.71 O ATOM 1193 NE2 GLN B 7 -8.794 9.575 -14.686 1.00 14.21 N ATOM 1194 HE22 GLN B 7 -8.754 10.021 -13.747 1.00 0.00 H ATOM 1195 HE21 GLN B 7 -8.267 9.989 -15.481 1.00 0.00 H ATOM 1196 H GLN B 7 -9.179 8.701 -9.892 1.00 0.00 H ATOM 1197 N LEU B 8 -8.904 5.662 -10.889 1.00 13.00 N ATOM 1198 CA LEU B 8 -8.535 4.276 -10.814 1.00 12.65 C ATOM 1199 C LEU B 8 -7.302 4.085 -9.962 1.00 12.40 C ATOM 1200 O LEU B 8 -6.620 5.058 -9.689 1.00 12.10 O ATOM 1201 CB LEU B 8 -8.299 3.734 -12.221 1.00 12.79 C ATOM 1202 CG LEU B 8 -7.235 4.437 -13.092 1.00 12.84 C ATOM 1203 CD1 LEU B 8 -5.829 3.867 -12.874 1.00 12.69 C ATOM 1204 CD2 LEU B 8 -7.601 4.294 -14.548 1.00 12.91 C ATOM 1205 H LEU B 8 -8.200 6.394 -10.663 1.00 0.00 H ATOM 1206 N PHE B 9 -7.053 2.832 -9.553 1.00 12.14 N ATOM 1207 CA PHE B 9 -5.833 2.394 -8.848 1.00 12.41 C ATOM 1208 C PHE B 9 -5.439 1.018 -9.365 1.00 13.12 C ATOM 1209 O PHE B 9 -6.251 0.346 -9.998 1.00 13.56 O ATOM 1210 CB PHE B 9 -6.026 2.347 -7.303 1.00 12.29 C ATOM 1211 CG PHE B 9 -7.121 1.428 -6.844 1.00 11.51 C ATOM 1212 CD1 PHE B 9 -8.448 1.843 -6.862 1.00 11.62 C ATOM 1213 CD2 PHE B 9 -6.827 0.149 -6.386 1.00 11.72 C ATOM 1214 CE1 PHE B 9 -9.492 1.004 -6.455 1.00 11.49 C ATOM 1215 CE2 PHE B 9 -7.850 -0.706 -5.974 1.00 11.87 C ATOM 1216 CZ PHE B 9 -9.196 -0.272 -6.020 1.00 11.94 C ATOM 1217 H PHE B 9 -7.778 2.112 -9.748 1.00 0.00 H ATOM 1218 N SER B 10 -4.241 0.556 -9.027 1.00 14.00 N ATOM 1219 CA SER B 10 -3.667 -0.646 -9.668 1.00 15.30 C ATOM 1220 C SER B 10 -3.644 -1.902 -8.789 1.00 15.85 C ATOM 1221 O SER B 10 -3.415 -1.821 -7.577 1.00 17.26 O ATOM 1222 CB SER B 10 -2.267 -0.336 -10.252 1.00 15.19 C ATOM 1223 OG SER B 10 -2.365 0.630 -11.323 1.00 14.52 O ATOM 1224 HG SER B 10 -2.761 1.468 -10.975 1.00 0.00 H ATOM 1225 H SER B 10 -3.694 1.051 -8.294 1.00 0.00 H ATOM 1226 N VAL B 11 -3.902 -3.053 -9.410 1.00 16.27 N ATOM 1227 CA VAL B 11 -3.824 -4.355 -8.736 1.00 16.67 C ATOM 1228 C VAL B 11 -2.750 -5.222 -9.397 1.00 16.95 C ATOM 1229 O VAL B 11 -2.909 -5.622 -10.530 1.00 17.34 O ATOM 1230 CB VAL B 11 -5.161 -5.109 -8.805 1.00 16.49 C ATOM 1231 CG1 VAL B 11 -5.076 -6.447 -8.049 1.00 16.33 C ATOM 1232 CG2 VAL B 11 -6.283 -4.237 -8.247 1.00 16.99 C ATOM 1233 H VAL B 11 -4.170 -3.028 -10.415 1.00 0.00 H ATOM 1234 N PRO B 12 -1.675 -5.559 -8.665 1.00 18.42 N ATOM 1235 CA PRO B 12 -0.574 -6.278 -9.315 1.00 19.42 C ATOM 1236 C PRO B 12 -0.915 -7.757 -9.587 1.00 20.65 C ATOM 1237 O PRO B 12 -1.252 -8.506 -8.657 1.00 19.22 O ATOM 1238 CB PRO B 12 0.563 -6.154 -8.301 1.00 20.19 C ATOM 1239 CG PRO B 12 -0.128 -6.072 -6.958 1.00 19.77 C ATOM 1240 CD PRO B 12 -1.490 -5.456 -7.204 1.00 18.39 C ATOM 1241 N VAL B 13 -0.806 -8.157 -10.851 1.00 22.90 N ATOM 1242 CA VAL B 13 -1.068 -9.535 -11.288 1.00 25.20 C ATOM 1243 C VAL B 13 0.068 -10.071 -12.182 1.00 28.23 C ATOM 1244 O VAL B 13 0.888 -9.303 -12.680 1.00 28.58 O ATOM 1245 CB VAL B 13 -2.434 -9.659 -12.009 1.00 24.71 C ATOM 1246 CG1 VAL B 13 -3.544 -9.190 -11.078 1.00 25.82 C ATOM 1247 CG2 VAL B 13 -2.478 -8.893 -13.326 1.00 24.61 C ATOM 1248 H VAL B 13 -0.521 -7.458 -11.567 1.00 0.00 H ATOM 1249 N SER B 14 0.093 -11.396 -12.383 1.00 29.52 N ATOM 1250 CA SER B 14 1.109 -12.059 -13.195 1.00 29.86 C ATOM 1251 C SER B 14 0.526 -12.407 -14.553 1.00 32.70 C ATOM 1252 O SER B 14 1.053 -11.978 -15.568 1.00 38.96 O ATOM 1253 CB SER B 14 1.606 -13.325 -12.515 1.00 29.43 C ATOM 1254 OG SER B 14 0.598 -14.313 -12.577 1.00 29.04 O ATOM 1255 HG SER B 14 -0.214 -13.984 -12.115 1.00 0.00 H ATOM 1256 H SER B 14 -0.646 -11.979 -11.940 1.00 0.00 H ATOM 1257 N ASP B 15 -0.535 -13.211 -14.570 1.00 35.05 N ATOM 1258 CA ASP B 15 -1.195 -13.601 -15.808 1.00 35.39 C ATOM 1259 C ASP B 15 -2.393 -12.686 -15.929 1.00 37.10 C ATOM 1260 O ASP B 15 -3.313 -12.757 -15.113 1.00 40.00 O ATOM 1261 CB ASP B 15 -1.610 -15.085 -15.777 1.00 35.36 C ATOM 1262 CG ASP B 15 -1.758 -15.683 -17.166 1.00 37.01 C ATOM 1263 OD1 ASP B 15 -1.981 -14.924 -18.130 1.00 37.77 O ATOM 1264 OD2 ASP B 15 -1.646 -16.927 -17.302 1.00 39.90 O ATOM 1265 H ASP B 15 -0.905 -13.573 -13.668 1.00 0.00 H ATOM 1266 N GLN B 16 -2.348 -11.793 -16.914 1.00 36.27 N ATOM 1267 CA GLN B 16 -3.427 -10.841 -17.169 1.00 36.11 C ATOM 1268 C GLN B 16 -4.699 -11.500 -17.738 1.00 36.68 C ATOM 1269 O GLN B 16 -5.804 -10.979 -17.559 1.00 35.30 O ATOM 1270 CB GLN B 16 -2.957 -9.737 -18.123 1.00 35.16 C ATOM 1271 CG GLN B 16 -1.892 -8.807 -17.552 1.00 36.98 C ATOM 1272 CD GLN B 16 -1.461 -7.717 -18.534 1.00 38.28 C ATOM 1273 OE1 GLN B 16 -0.677 -7.976 -19.460 1.00 37.92 O ATOM 1274 NE2 GLN B 16 -1.957 -6.486 -18.325 1.00 36.04 N ATOM 1275 HE22 GLN B 16 -2.612 -6.316 -17.535 1.00 0.00 H ATOM 1276 HE21 GLN B 16 -1.686 -5.703 -18.953 1.00 0.00 H ATOM 1277 H GLN B 16 -1.509 -11.771 -17.529 1.00 0.00 H ATOM 1278 N GLU B 17 -4.550 -12.619 -18.440 1.00 36.72 N ATOM 1279 CA GLU B 17 -5.694 -13.288 -19.034 1.00 36.64 C ATOM 1280 C GLU B 17 -6.451 -14.022 -17.938 1.00 37.43 C ATOM 1281 O GLU B 17 -7.679 -13.965 -17.918 1.00 38.73 O ATOM 1282 CB GLU B 17 -5.276 -14.230 -20.177 1.00 36.78 C ATOM 1283 CG GLU B 17 -6.437 -14.747 -21.035 1.00 37.60 C ATOM 1284 CD GLU B 17 -7.169 -13.664 -21.838 1.00 39.50 C ATOM 1285 OE1 GLU B 17 -8.427 -13.690 -21.905 1.00 42.93 O ATOM 1286 OE2 GLU B 17 -6.503 -12.780 -22.405 1.00 38.32 O ATOM 1287 H GLU B 17 -3.599 -13.022 -18.566 1.00 0.00 H ATOM 1288 N LYS B 18 -5.733 -14.675 -17.022 1.00 37.44 N ATOM 1289 CA LYS B 18 -6.372 -15.284 -15.854 1.00 39.40 C ATOM 1290 C LYS B 18 -7.079 -14.240 -15.014 1.00 37.77 C ATOM 1291 O LYS B 18 -8.280 -14.378 -14.754 1.00 37.78 O ATOM 1292 CB LYS B 18 -5.368 -16.029 -14.970 1.00 42.47 C ATOM 1293 CG LYS B 18 -4.784 -17.263 -15.637 1.00 48.35 C ATOM 1294 CD LYS B 18 -4.519 -18.380 -14.639 1.00 50.56 C ATOM 1295 CE LYS B 18 -3.571 -19.418 -15.228 1.00 52.78 C ATOM 1296 NZ LYS B 18 -3.574 -20.664 -14.405 1.00 53.80 N ATOM 1297 HZ1 LYS B 18 -3.267 -20.439 -13.437 1.00 0.00 H ATOM 1298 HZ2 LYS B 18 -4.535 -21.061 -14.382 1.00 0.00 H ATOM 1299 HZ3 LYS B 18 -2.922 -21.357 -14.825 1.00 0.00 H ATOM 1300 H LYS B 18 -4.703 -14.753 -17.140 1.00 0.00 H ATOM 1301 N ALA B 19 -6.320 -13.216 -14.593 1.00 34.24 N ATOM 1302 CA ALA B 19 -6.834 -12.095 -13.796 1.00 29.98 C ATOM 1303 C ALA B 19 -8.155 -11.582 -14.365 1.00 28.15 C ATOM 1304 O ALA B 19 -9.156 -11.563 -13.678 1.00 29.71 O ATOM 1305 CB ALA B 19 -5.816 -10.973 -13.716 1.00 28.60 C ATOM 1306 H ALA B 19 -5.311 -13.217 -14.846 1.00 0.00 H ATOM 1307 N LYS B 20 -8.162 -11.249 -15.637 1.00 25.42 N ATOM 1308 CA LYS B 20 -9.332 -10.697 -16.302 1.00 26.22 C ATOM 1309 C LYS B 20 -10.577 -11.582 -16.205 1.00 26.05 C ATOM 1310 O LYS B 20 -11.667 -11.121 -15.878 1.00 23.07 O ATOM 1311 CB LYS B 20 -8.994 -10.471 -17.772 1.00 27.92 C ATOM 1312 CG LYS B 20 -10.187 -10.237 -18.679 1.00 29.14 C ATOM 1313 CD LYS B 20 -9.831 -10.470 -20.125 1.00 29.69 C ATOM 1314 CE LYS B 20 -10.988 -11.089 -20.869 1.00 32.27 C ATOM 1315 NZ LYS B 20 -11.060 -10.592 -22.274 1.00 34.36 N ATOM 1316 HZ1 LYS B 20 -11.184 -9.559 -22.269 1.00 0.00 H ATOM 1317 HZ2 LYS B 20 -10.179 -10.834 -22.772 1.00 0.00 H ATOM 1318 HZ3 LYS B 20 -11.866 -11.037 -22.757 1.00 0.00 H ATOM 1319 H LYS B 20 -7.293 -11.386 -16.192 1.00 0.00 H ATOM 1320 N ASP B 21 -10.378 -12.868 -16.478 1.00 25.83 N ATOM 1321 CA ASP B 21 -11.439 -13.856 -16.363 1.00 26.35 C ATOM 1322 C ASP B 21 -11.911 -13.957 -14.918 1.00 24.54 C ATOM 1323 O ASP B 21 -13.109 -14.072 -14.659 1.00 25.85 O ATOM 1324 CB ASP B 21 -10.956 -15.221 -16.856 1.00 28.99 C ATOM 1325 CG ASP B 21 -10.690 -15.241 -18.348 1.00 31.71 C ATOM 1326 OD1 ASP B 21 -11.292 -14.420 -19.072 1.00 31.29 O ATOM 1327 OD2 ASP B 21 -9.880 -16.078 -18.799 1.00 32.59 O ATOM 1328 H ASP B 21 -9.433 -13.177 -16.784 1.00 0.00 H ATOM 1329 N PHE B 22 -10.972 -13.910 -13.977 1.00 21.74 N ATOM 1330 CA PHE B 22 -11.338 -13.959 -12.572 1.00 20.53 C ATOM 1331 C PHE B 22 -12.242 -12.767 -12.192 1.00 19.90 C ATOM 1332 O PHE B 22 -13.362 -12.967 -11.733 1.00 20.03 O ATOM 1333 CB PHE B 22 -10.100 -13.993 -11.673 1.00 20.76 C ATOM 1334 CG PHE B 22 -10.431 -14.048 -10.215 1.00 20.22 C ATOM 1335 CD1 PHE B 22 -10.789 -15.244 -9.634 1.00 20.62 C ATOM 1336 CD2 PHE B 22 -10.401 -12.907 -9.441 1.00 19.80 C ATOM 1337 CE1 PHE B 22 -11.123 -15.306 -8.294 1.00 21.62 C ATOM 1338 CE2 PHE B 22 -10.732 -12.942 -8.111 1.00 20.10 C ATOM 1339 CZ PHE B 22 -11.093 -14.140 -7.525 1.00 21.61 C ATOM 1340 H PHE B 22 -9.971 -13.838 -14.249 1.00 0.00 H ATOM 1341 N TYR B 23 -11.758 -11.547 -12.416 1.00 17.71 N ATOM 1342 CA TYR B 23 -12.481 -10.332 -12.044 1.00 16.53 C ATOM 1343 C TYR B 23 -13.788 -10.152 -12.813 1.00 16.33 C ATOM 1344 O TYR B 23 -14.778 -9.679 -12.248 1.00 16.37 O ATOM 1345 CB TYR B 23 -11.575 -9.092 -12.141 1.00 15.49 C ATOM 1346 CG TYR B 23 -10.581 -9.018 -11.003 1.00 14.46 C ATOM 1347 CD1 TYR B 23 -10.940 -8.460 -9.771 1.00 14.04 C ATOM 1348 CD2 TYR B 23 -9.314 -9.549 -11.123 1.00 13.75 C ATOM 1349 CE1 TYR B 23 -10.044 -8.413 -8.713 1.00 13.86 C ATOM 1350 CE2 TYR B 23 -8.423 -9.522 -10.057 1.00 13.99 C ATOM 1351 CZ TYR B 23 -8.793 -8.932 -8.860 1.00 14.05 C ATOM 1352 OH TYR B 23 -7.918 -8.900 -7.789 1.00 14.87 O ATOM 1353 HH TYR B 23 -7.681 -9.826 -7.530 1.00 0.00 H ATOM 1354 H TYR B 23 -10.829 -11.455 -12.874 1.00 0.00 H ATOM 1355 N VAL B 24 -13.820 -10.586 -14.070 1.00 16.50 N ATOM 1356 CA VAL B 24 -14.981 -10.368 -14.943 1.00 17.05 C ATOM 1357 C VAL B 24 -16.033 -11.474 -14.818 1.00 17.88 C ATOM 1358 O VAL B 24 -17.237 -11.178 -14.727 1.00 16.30 O ATOM 1359 CB VAL B 24 -14.513 -10.191 -16.406 1.00 17.39 C ATOM 1360 CG1 VAL B 24 -15.671 -10.120 -17.403 1.00 17.48 C ATOM 1361 CG2 VAL B 24 -13.672 -8.926 -16.510 1.00 16.90 C ATOM 1362 H VAL B 24 -12.996 -11.096 -14.447 1.00 0.00 H ATOM 1363 N GLU B 25 -15.566 -12.734 -14.824 1.00 21.04 N ATOM 1364 CA GLU B 25 -16.436 -13.935 -14.721 1.00 22.64 C ATOM 1365 C GLU B 25 -16.687 -14.364 -13.272 1.00 21.28 C ATOM 1366 O GLU B 25 -17.802 -14.713 -12.936 1.00 22.04 O ATOM 1367 CB GLU B 25 -15.881 -15.153 -15.510 1.00 24.60 C ATOM 1368 CG GLU B 25 -15.466 -14.910 -16.977 1.00 26.57 C ATOM 1369 CD GLU B 25 -16.567 -14.266 -17.819 1.00 29.21 C ATOM 1370 OE1 GLU B 25 -16.263 -13.327 -18.604 1.00 30.46 O ATOM 1371 OE2 GLU B 25 -17.752 -14.688 -17.705 1.00 33.24 O ATOM 1372 H GLU B 25 -14.539 -12.877 -14.905 1.00 0.00 H ATOM 1373 N THR B 26 -15.672 -14.369 -12.415 1.00 19.28 N ATOM 1374 CA THR B 26 -15.891 -14.856 -11.060 1.00 18.52 C ATOM 1375 C THR B 26 -16.492 -13.781 -10.218 1.00 19.17 C ATOM 1376 O THR B 26 -17.569 -13.971 -9.680 1.00 21.81 O ATOM 1377 CB THR B 26 -14.629 -15.391 -10.389 1.00 18.06 C ATOM 1378 OG1 THR B 26 -14.083 -16.421 -11.200 1.00 17.96 O ATOM 1379 CG2 THR B 26 -14.934 -15.971 -9.021 1.00 17.85 C ATOM 1380 HG1 THR B 26 -13.263 -16.776 -10.773 1.00 0.00 H ATOM 1381 H THR B 26 -14.734 -14.030 -12.708 1.00 0.00 H ATOM 1382 N VAL B 27 -15.814 -12.644 -10.132 1.00 18.12 N ATOM 1383 CA VAL B 27 -16.219 -11.555 -9.259 1.00 17.76 C ATOM 1384 C VAL B 27 -17.354 -10.735 -9.861 1.00 17.64 C ATOM 1385 O VAL B 27 -17.998 -9.951 -9.144 1.00 19.24 O ATOM 1386 CB VAL B 27 -15.048 -10.602 -8.906 1.00 17.56 C ATOM 1387 CG1 VAL B 27 -15.481 -9.583 -7.868 1.00 17.12 C ATOM 1388 CG2 VAL B 27 -13.827 -11.375 -8.396 1.00 18.00 C ATOM 1389 H VAL B 27 -14.959 -12.527 -10.712 1.00 0.00 H ATOM 1390 N GLY B 28 -17.583 -10.887 -11.162 1.00 17.09 N ATOM 1391 CA GLY B 28 -18.673 -10.207 -11.854 1.00 15.95 C ATOM 1392 C GLY B 28 -18.481 -8.742 -12.197 1.00 15.68 C ATOM 1393 O GLY B 28 -19.459 -8.028 -12.355 1.00 14.37 O ATOM 1394 H GLY B 28 -16.960 -11.516 -11.708 1.00 0.00 H ATOM 1395 N PHE B 29 -17.253 -8.278 -12.354 1.00 16.47 N ATOM 1396 CA PHE B 29 -17.058 -6.885 -12.838 1.00 17.56 C ATOM 1397 C PHE B 29 -17.314 -6.760 -14.340 1.00 17.82 C ATOM 1398 O PHE B 29 -17.245 -7.750 -15.072 1.00 19.32 O ATOM 1399 CB PHE B 29 -15.634 -6.395 -12.564 1.00 17.63 C ATOM 1400 CG PHE B 29 -15.305 -6.204 -11.123 1.00 18.05 C ATOM 1401 CD1 PHE B 29 -16.235 -6.445 -10.089 1.00 18.85 C ATOM 1402 CD2 PHE B 29 -14.049 -5.728 -10.781 1.00 18.88 C ATOM 1403 CE1 PHE B 29 -15.896 -6.227 -8.757 1.00 18.65 C ATOM 1404 CE2 PHE B 29 -13.700 -5.513 -9.440 1.00 19.19 C ATOM 1405 CZ PHE B 29 -14.627 -5.756 -8.437 1.00 19.17 C ATOM 1406 H PHE B 29 -16.432 -8.880 -12.141 1.00 0.00 H ATOM 1407 N ASP B 30 -17.627 -5.546 -14.776 1.00 17.78 N ATOM 1408 CA ASP B 30 -17.551 -5.161 -16.186 1.00 18.63 C ATOM 1409 C ASP B 30 -16.115 -4.909 -16.610 1.00 19.44 C ATOM 1410 O ASP B 30 -15.315 -4.361 -15.834 1.00 18.82 O ATOM 1411 CB ASP B 30 -18.249 -3.825 -16.437 1.00 18.70 C ATOM 1412 CG ASP B 30 -19.732 -3.916 -16.378 1.00 18.92 C ATOM 1413 OD1 ASP B 30 -20.286 -5.041 -16.365 1.00 20.01 O ATOM 1414 OD2 ASP B 30 -20.345 -2.834 -16.312 1.00 19.00 O ATOM 1415 H ASP B 30 -17.941 -4.836 -14.084 1.00 0.00 H ATOM 1416 N LEU B 31 -15.826 -5.258 -17.867 1.00 19.83 N ATOM 1417 CA LEU B 31 -14.540 -5.003 -18.512 1.00 20.63 C ATOM 1418 C LEU B 31 -14.599 -3.647 -19.176 1.00 20.68 C ATOM 1419 O LEU B 31 -15.397 -3.443 -20.063 1.00 20.62 O ATOM 1420 CB LEU B 31 -14.253 -6.080 -19.543 1.00 20.50 C ATOM 1421 CG LEU B 31 -12.896 -5.993 -20.229 1.00 21.75 C ATOM 1422 CD1 LEU B 31 -11.764 -6.255 -19.241 1.00 20.50 C ATOM 1423 CD2 LEU B 31 -12.854 -6.956 -21.455 1.00 21.85 C ATOM 1424 H LEU B 31 -16.562 -5.741 -18.421 1.00 0.00 H ATOM 1425 N LEU B 32 -13.788 -2.700 -18.713 1.00 21.75 N ATOM 1426 CA LEU B 32 -13.900 -1.308 -19.173 1.00 22.38 C ATOM 1427 C LEU B 32 -12.969 -1.026 -20.351 1.00 20.81 C ATOM 1428 O LEU B 32 -13.299 -0.212 -21.209 1.00 19.44 O ATOM 1429 CB LEU B 32 -13.651 -0.311 -18.014 1.00 23.12 C ATOM 1430 CG LEU B 32 -14.684 -0.205 -16.860 1.00 24.97 C ATOM 1431 CD1 LEU B 32 -14.326 0.915 -15.867 1.00 24.58 C ATOM 1432 CD2 LEU B 32 -16.111 0.008 -17.355 1.00 25.14 C ATOM 1433 H LEU B 32 -13.061 -2.949 -18.012 1.00 0.00 H ATOM 1434 N ALA B 33 -11.813 -1.686 -20.360 1.00 20.38 N ATOM 1435 CA ALA B 33 -10.880 -1.638 -21.485 1.00 20.77 C ATOM 1436 C ALA B 33 -9.943 -2.849 -21.536 1.00 21.55 C ATOM 1437 O ALA B 33 -9.626 -3.457 -20.526 1.00 19.55 O ATOM 1438 CB ALA B 33 -10.075 -0.346 -21.474 1.00 20.48 C ATOM 1439 H ALA B 33 -11.562 -2.261 -19.530 1.00 0.00 H ATOM 1440 N ASP B 34 -9.542 -3.192 -22.760 1.00 23.45 N ATOM 1441 CA ASP B 34 -8.583 -4.230 -23.013 1.00 24.93 C ATOM 1442 C ASP B 34 -7.861 -3.805 -24.270 1.00 26.23 C ATOM 1443 O ASP B 34 -8.305 -4.109 -25.384 1.00 25.64 O ATOM 1444 CB ASP B 34 -9.260 -5.600 -23.178 1.00 26.77 C ATOM 1445 CG ASP B 34 -8.257 -6.761 -23.133 1.00 27.67 C ATOM 1446 OD1 ASP B 34 -7.023 -6.549 -23.296 1.00 28.94 O ATOM 1447 OD2 ASP B 34 -8.714 -7.899 -22.917 1.00 29.92 O ATOM 1448 H ASP B 34 -9.944 -2.682 -23.572 1.00 0.00 H ATOM 1449 N GLN B 35 -6.749 -3.104 -24.065 1.00 26.16 N ATOM 1450 CA GLN B 35 -6.122 -2.325 -25.106 1.00 26.17 C ATOM 1451 C GLN B 35 -4.647 -2.115 -24.802 1.00 26.74 C ATOM 1452 O GLN B 35 -4.203 -2.439 -23.702 1.00 27.50 O ATOM 1453 CB GLN B 35 -6.873 -0.994 -25.252 1.00 26.88 C ATOM 1454 CG GLN B 35 -6.956 -0.087 -24.032 1.00 25.82 C ATOM 1455 CD GLN B 35 -7.934 1.065 -24.269 1.00 26.32 C ATOM 1456 OE1 GLN B 35 -9.111 0.837 -24.593 1.00 27.11 O ATOM 1457 NE2 GLN B 35 -7.469 2.304 -24.101 1.00 25.93 N ATOM 1458 HE22 GLN B 35 -6.476 2.455 -23.829 1.00 0.00 H ATOM 1459 HE21 GLN B 35 -8.099 3.119 -24.242 1.00 0.00 H ATOM 1460 H GLN B 35 -6.315 -3.118 -23.120 1.00 0.00 H ATOM 1461 N PRO B 36 -3.861 -1.636 -25.791 1.00 27.62 N ATOM 1462 CA PRO B 36 -2.430 -1.485 -25.531 1.00 29.11 C ATOM 1463 C PRO B 36 -2.167 -0.186 -24.801 1.00 30.03 C ATOM 1464 O PRO B 36 -2.691 0.856 -25.221 1.00 30.55 O ATOM 1465 CB PRO B 36 -1.796 -1.456 -26.939 1.00 27.92 C ATOM 1466 CG PRO B 36 -2.919 -1.602 -27.898 1.00 27.19 C ATOM 1467 CD PRO B 36 -4.177 -1.246 -27.171 1.00 27.50 C ATOM 1468 N GLY B 37 -1.389 -0.270 -23.717 1.00 32.04 N ATOM 1469 CA GLY B 37 -0.907 0.910 -22.976 1.00 32.78 C ATOM 1470 C GLY B 37 0.594 1.171 -23.089 1.00 32.23 C ATOM 1471 O GLY B 37 1.289 0.554 -23.899 1.00 30.81 O ATOM 1472 H GLY B 37 -1.110 -1.214 -23.380 1.00 0.00 H ATOM 1473 N VAL B 38 1.085 2.072 -22.236 1.00 33.63 N ATOM 1474 CA VAL B 38 2.474 2.546 -22.263 1.00 32.84 C ATOM 1475 C VAL B 38 3.408 1.385 -21.926 1.00 33.15 C ATOM 1476 O VAL B 38 4.210 0.986 -22.754 1.00 31.74 O ATOM 1477 CB VAL B 38 2.711 3.718 -21.260 1.00 32.75 C ATOM 1478 CG1 VAL B 38 4.165 4.172 -21.264 1.00 32.40 C ATOM 1479 CG2 VAL B 38 1.814 4.903 -21.577 1.00 32.22 C ATOM 1480 H VAL B 38 0.448 2.460 -21.511 1.00 0.00 H ATOM 1481 N HIS B 39 3.260 0.834 -20.721 1.00 36.08 N ATOM 1482 CA HIS B 39 4.160 -0.208 -20.189 1.00 36.59 C ATOM 1483 C HIS B 39 3.618 -1.625 -20.388 1.00 37.27 C ATOM 1484 O HIS B 39 3.987 -2.540 -19.656 1.00 38.71 O ATOM 1485 CB HIS B 39 4.447 0.038 -18.710 1.00 36.02 C ATOM 1486 CG HIS B 39 5.123 1.337 -18.438 1.00 39.28 C ATOM 1487 ND1 HIS B 39 4.567 2.303 -17.630 1.00 42.87 N ATOM 1488 CD2 HIS B 39 6.314 1.829 -18.850 1.00 42.67 C ATOM 1489 CE1 HIS B 39 5.382 3.342 -17.561 1.00 45.16 C ATOM 1490 NE2 HIS B 39 6.448 3.081 -18.298 1.00 44.72 N ATOM 1491 H HIS B 39 2.470 1.155 -20.125 1.00 0.00 H ATOM 1492 N GLY B 40 2.762 -1.812 -21.391 1.00 38.95 N ATOM 1493 CA GLY B 40 2.260 -3.130 -21.747 1.00 39.21 C ATOM 1494 C GLY B 40 0.764 -3.116 -21.996 1.00 39.72 C ATOM 1495 O GLY B 40 0.206 -2.124 -22.492 1.00 42.10 O ATOM 1496 H GLY B 40 2.442 -0.988 -21.938 1.00 0.00 H ATOM 1497 N ARG B 41 0.116 -4.227 -21.642 1.00 36.55 N ATOM 1498 CA ARG B 41 -1.317 -4.410 -21.900 1.00 33.80 C ATOM 1499 C ARG B 41 -2.129 -3.750 -20.793 1.00 28.73 C ATOM 1500 O ARG B 41 -1.937 -4.044 -19.615 1.00 27.36 O ATOM 1501 CB ARG B 41 -1.663 -5.904 -21.985 1.00 32.40 C ATOM 1502 CG ARG B 41 -3.121 -6.234 -22.272 1.00 31.43 C ATOM 1503 CD ARG B 41 -3.415 -7.649 -21.769 1.00 31.37 C ATOM 1504 NE ARG B 41 -4.730 -8.156 -22.175 1.00 30.35 N ATOM 1505 CZ ARG B 41 -5.099 -9.441 -22.152 1.00 28.77 C ATOM 1506 NH1 ARG B 41 -4.263 -10.394 -21.739 1.00 27.91 N ATOM 1507 NH2 ARG B 41 -6.324 -9.775 -22.567 1.00 28.36 N ATOM 1508 HE ARG B 41 -5.430 -7.462 -22.507 1.00 0.00 H ATOM 1509 HH12 ARG B 41 -4.571 -11.387 -21.729 1.00 0.00 H ATOM 1510 HH11 ARG B 41 -3.303 -10.144 -21.427 1.00 0.00 H ATOM 1511 HH22 ARG B 41 -6.624 -10.771 -22.554 1.00 0.00 H ATOM 1512 HH21 ARG B 41 -6.978 -9.039 -22.903 1.00 0.00 H ATOM 1513 H ARG B 41 0.643 -4.988 -21.168 1.00 0.00 H ATOM 1514 N TRP B 42 -3.050 -2.892 -21.205 1.00 26.20 N ATOM 1515 CA TRP B 42 -3.910 -2.128 -20.295 1.00 25.49 C ATOM 1516 C TRP B 42 -5.278 -2.820 -20.139 1.00 24.75 C ATOM 1517 O TRP B 42 -6.087 -2.870 -21.091 1.00 22.40 O ATOM 1518 CB TRP B 42 -4.103 -0.721 -20.872 1.00 25.47 C ATOM 1519 CG TRP B 42 -4.991 0.164 -20.079 1.00 24.92 C ATOM 1520 CD1 TRP B 42 -6.332 0.388 -20.273 1.00 24.89 C ATOM 1521 CD2 TRP B 42 -4.606 0.952 -18.952 1.00 24.43 C ATOM 1522 NE1 TRP B 42 -6.798 1.290 -19.340 1.00 24.74 N ATOM 1523 CE2 TRP B 42 -5.762 1.638 -18.509 1.00 24.51 C ATOM 1524 CE3 TRP B 42 -3.393 1.149 -18.275 1.00 24.38 C ATOM 1525 CZ2 TRP B 42 -5.738 2.512 -17.429 1.00 24.56 C ATOM 1526 CZ3 TRP B 42 -3.372 2.017 -17.197 1.00 24.42 C ATOM 1527 CH2 TRP B 42 -4.540 2.692 -16.786 1.00 24.06 C ATOM 1528 HE1 TRP B 42 -7.773 1.647 -19.276 1.00 0.00 H ATOM 1529 H TRP B 42 -3.170 -2.753 -22.229 1.00 0.00 H ATOM 1530 N LEU B 43 -5.541 -3.296 -18.925 1.00 23.78 N ATOM 1531 CA LEU B 43 -6.720 -4.128 -18.618 1.00 23.35 C ATOM 1532 C LEU B 43 -7.441 -3.569 -17.413 1.00 20.94 C ATOM 1533 O LEU B 43 -6.892 -3.547 -16.302 1.00 19.96 O ATOM 1534 CB LEU B 43 -6.244 -5.551 -18.347 1.00 25.55 C ATOM 1535 CG LEU B 43 -7.045 -6.567 -17.556 1.00 28.12 C ATOM 1536 CD1 LEU B 43 -8.283 -6.929 -18.356 1.00 30.60 C ATOM 1537 CD2 LEU B 43 -6.192 -7.811 -17.292 1.00 29.38 C ATOM 1538 H LEU B 43 -4.882 -3.070 -18.153 1.00 0.00 H ATOM 1539 N GLN B 44 -8.677 -3.141 -17.623 1.00 19.33 N ATOM 1540 CA GLN B 44 -9.355 -2.259 -16.670 1.00 18.79 C ATOM 1541 C GLN B 44 -10.775 -2.761 -16.399 1.00 18.08 C ATOM 1542 O GLN B 44 -11.575 -2.951 -17.325 1.00 17.47 O ATOM 1543 CB GLN B 44 -9.353 -0.841 -17.240 1.00 18.61 C ATOM 1544 CG GLN B 44 -9.950 0.240 -16.362 1.00 18.31 C ATOM 1545 CD GLN B 44 -9.961 1.602 -17.048 1.00 18.68 C ATOM 1546 OE1 GLN B 44 -9.520 1.740 -18.187 1.00 18.37 O ATOM 1547 NE2 GLN B 44 -10.508 2.623 -16.359 1.00 18.87 N ATOM 1548 HE22 GLN B 44 -10.870 2.466 -15.397 1.00 0.00 H ATOM 1549 HE21 GLN B 44 -10.568 3.568 -16.789 1.00 0.00 H ATOM 1550 H GLN B 44 -9.178 -3.438 -18.485 1.00 0.00 H ATOM 1551 N VAL B 45 -11.053 -3.002 -15.120 1.00 18.07 N ATOM 1552 CA VAL B 45 -12.303 -3.626 -14.647 1.00 17.74 C ATOM 1553 C VAL B 45 -12.916 -2.786 -13.544 1.00 18.26 C ATOM 1554 O VAL B 45 -12.185 -2.148 -12.777 1.00 19.69 O ATOM 1555 CB VAL B 45 -12.107 -5.071 -14.150 1.00 16.96 C ATOM 1556 CG1 VAL B 45 -11.643 -5.962 -15.312 1.00 17.12 C ATOM 1557 CG2 VAL B 45 -11.135 -5.174 -12.976 1.00 16.93 C ATOM 1558 H VAL B 45 -10.344 -2.733 -14.409 1.00 0.00 H ATOM 1559 N ALA B 46 -14.246 -2.785 -13.467 1.00 18.00 N ATOM 1560 CA ALA B 46 -14.973 -2.044 -12.426 1.00 17.40 C ATOM 1561 C ALA B 46 -16.316 -2.710 -12.181 1.00 17.37 C ATOM 1562 O ALA B 46 -16.851 -3.334 -13.077 1.00 17.65 O ATOM 1563 CB ALA B 46 -15.197 -0.595 -12.841 1.00 16.77 C ATOM 1564 H ALA B 46 -14.789 -3.328 -14.168 1.00 0.00 H ATOM 1565 N PRO B 47 -16.884 -2.552 -10.968 1.00 17.72 N ATOM 1566 CA PRO B 47 -18.275 -2.934 -10.809 1.00 18.14 C ATOM 1567 C PRO B 47 -19.140 -2.058 -11.705 1.00 17.69 C ATOM 1568 O PRO B 47 -18.815 -0.893 -11.875 1.00 16.43 O ATOM 1569 CB PRO B 47 -18.551 -2.651 -9.314 1.00 18.48 C ATOM 1570 CG PRO B 47 -17.198 -2.602 -8.678 1.00 18.52 C ATOM 1571 CD PRO B 47 -16.325 -1.998 -9.724 1.00 17.71 C ATOM 1572 N LYS B 48 -20.207 -2.618 -12.263 1.00 18.23 N ATOM 1573 CA LYS B 48 -21.117 -1.864 -13.105 1.00 20.69 C ATOM 1574 C LYS B 48 -21.561 -0.592 -12.398 1.00 19.97 C ATOM 1575 O LYS B 48 -21.947 -0.621 -11.237 1.00 20.33 O ATOM 1576 CB LYS B 48 -22.368 -2.693 -13.510 1.00 24.46 C ATOM 1577 CG LYS B 48 -23.271 -1.985 -14.541 1.00 26.28 C ATOM 1578 CD LYS B 48 -24.509 -2.781 -14.959 1.00 29.47 C ATOM 1579 CE LYS B 48 -24.210 -4.078 -15.732 1.00 32.75 C ATOM 1580 NZ LYS B 48 -23.475 -3.862 -17.025 1.00 34.13 N ATOM 1581 HZ1 LYS B 48 -24.045 -3.256 -17.649 1.00 0.00 H ATOM 1582 HZ2 LYS B 48 -22.563 -3.402 -16.831 1.00 0.00 H ATOM 1583 HZ3 LYS B 48 -23.311 -4.779 -17.486 1.00 0.00 H ATOM 1584 H LYS B 48 -20.396 -3.626 -12.092 1.00 0.00 H ATOM 1585 N GLY B 49 -21.476 0.538 -13.092 1.00 19.84 N ATOM 1586 CA GLY B 49 -21.972 1.817 -12.552 1.00 18.20 C ATOM 1587 C GLY B 49 -20.961 2.629 -11.777 1.00 16.83 C ATOM 1588 O GLY B 49 -21.155 3.820 -11.654 1.00 16.62 O ATOM 1589 H GLY B 49 -21.049 0.520 -14.040 1.00 0.00 H ATOM 1590 N ALA B 50 -19.863 2.025 -11.318 1.00 15.39 N ATOM 1591 CA ALA B 50 -19.000 2.647 -10.283 1.00 15.05 C ATOM 1592 C ALA B 50 -18.034 3.723 -10.795 1.00 14.28 C ATOM 1593 O ALA B 50 -17.558 3.673 -11.933 1.00 14.46 O ATOM 1594 CB ALA B 50 -18.195 1.577 -9.563 1.00 15.39 C ATOM 1595 H ALA B 50 -19.605 1.091 -11.697 1.00 0.00 H ATOM 1596 N ASP B 51 -17.744 4.689 -9.947 1.00 13.40 N ATOM 1597 CA ASP B 51 -16.800 5.751 -10.296 1.00 13.29 C ATOM 1598 C ASP B 51 -15.349 5.292 -10.339 1.00 13.69 C ATOM 1599 O ASP B 51 -14.592 5.709 -11.224 1.00 13.97 O ATOM 1600 CB ASP B 51 -16.887 6.896 -9.300 1.00 13.44 C ATOM 1601 CG ASP B 51 -18.148 7.685 -9.430 1.00 13.40 C ATOM 1602 OD1 ASP B 51 -18.645 7.821 -10.560 1.00 14.40 O ATOM 1603 OD2 ASP B 51 -18.660 8.163 -8.399 1.00 13.68 O ATOM 1604 H ASP B 51 -18.196 4.697 -9.010 1.00 0.00 H ATOM 1605 N THR B 52 -14.934 4.472 -9.376 1.00 13.29 N ATOM 1606 CA THR B 52 -13.528 4.120 -9.289 1.00 13.30 C ATOM 1607 C THR B 52 -13.323 2.733 -9.863 1.00 13.60 C ATOM 1608 O THR B 52 -14.086 1.831 -9.563 1.00 14.63 O ATOM 1609 CB THR B 52 -13.025 4.223 -7.848 1.00 13.04 C ATOM 1610 OG1 THR B 52 -13.251 5.565 -7.396 1.00 12.73 O ATOM 1611 CG2 THR B 52 -11.542 3.890 -7.771 1.00 12.83 C ATOM 1612 HG1 THR B 52 -12.757 6.196 -7.978 1.00 0.00 H ATOM 1613 H THR B 52 -15.613 4.086 -8.690 1.00 0.00 H ATOM 1614 N SER B 53 -12.311 2.597 -10.726 1.00 13.70 N ATOM 1615 CA SER B 53 -12.021 1.357 -11.441 1.00 13.31 C ATOM 1616 C SER B 53 -10.621 0.859 -11.107 1.00 13.69 C ATOM 1617 O SER B 53 -9.848 1.545 -10.438 1.00 13.82 O ATOM 1618 CB SER B 53 -12.217 1.539 -12.945 1.00 12.75 C ATOM 1619 OG SER B 53 -11.282 2.441 -13.504 1.00 11.93 O ATOM 1620 HG SER B 53 -11.381 3.326 -13.072 1.00 0.00 H ATOM 1621 H SER B 53 -11.697 3.419 -10.897 1.00 0.00 H ATOM 1622 N LEU B 54 -10.327 -0.358 -11.565 1.00 13.89 N ATOM 1623 CA LEU B 54 -9.144 -1.101 -11.200 1.00 13.97 C ATOM 1624 C LEU B 54 -8.391 -1.482 -12.439 1.00 15.05 C ATOM 1625 O LEU B 54 -9.006 -1.897 -13.429 1.00 14.85 O ATOM 1626 CB LEU B 54 -9.525 -2.395 -10.473 1.00 14.35 C ATOM 1627 CG LEU B 54 -10.300 -2.342 -9.137 1.00 14.55 C ATOM 1628 CD1 LEU B 54 -11.816 -2.211 -9.332 1.00 14.53 C ATOM 1629 CD2 LEU B 54 -10.018 -3.612 -8.378 1.00 14.56 C ATOM 1630 H LEU B 54 -10.994 -0.801 -12.229 1.00 0.00 H ATOM 1631 N VAL B 55 -7.062 -1.385 -12.382 1.00 15.61 N ATOM 1632 CA VAL B 55 -6.225 -1.765 -13.506 1.00 16.04 C ATOM 1633 C VAL B 55 -5.372 -2.920 -13.060 1.00 16.28 C ATOM 1634 O VAL B 55 -4.703 -2.821 -12.050 1.00 16.24 O ATOM 1635 CB VAL B 55 -5.325 -0.619 -13.981 1.00 16.64 C ATOM 1636 CG1 VAL B 55 -4.500 -1.010 -15.209 1.00 16.94 C ATOM 1637 CG2 VAL B 55 -6.180 0.576 -14.323 1.00 17.21 C ATOM 1638 H VAL B 55 -6.615 -1.029 -11.513 1.00 0.00 H ATOM 1639 N LEU B 56 -5.410 -4.006 -13.823 1.00 17.39 N ATOM 1640 CA LEU B 56 -4.675 -5.236 -13.500 1.00 18.07 C ATOM 1641 C LEU B 56 -3.351 -5.193 -14.265 1.00 18.82 C ATOM 1642 O LEU B 56 -3.312 -5.472 -15.453 1.00 19.39 O ATOM 1643 CB LEU B 56 -5.518 -6.462 -13.880 1.00 17.35 C ATOM 1644 CG LEU B 56 -6.982 -6.428 -13.404 1.00 17.66 C ATOM 1645 CD1 LEU B 56 -7.757 -7.595 -14.002 1.00 18.04 C ATOM 1646 CD2 LEU B 56 -7.104 -6.433 -11.881 1.00 17.15 C ATOM 1647 H LEU B 56 -5.986 -3.985 -14.688 1.00 0.00 H ATOM 1648 N VAL B 57 -2.287 -4.811 -13.570 1.00 20.16 N ATOM 1649 CA VAL B 57 -1.011 -4.477 -14.179 1.00 21.62 C ATOM 1650 C VAL B 57 0.021 -5.454 -13.697 1.00 24.67 C ATOM 1651 O VAL B 57 -0.172 -6.066 -12.633 1.00 25.37 O ATOM 1652 CB VAL B 57 -0.499 -3.078 -13.740 1.00 23.03 C ATOM 1653 CG1 VAL B 57 -1.536 -2.002 -14.020 1.00 23.17 C ATOM 1654 CG2 VAL B 57 -0.055 -3.037 -12.255 1.00 23.34 C ATOM 1655 H VAL B 57 -2.371 -4.747 -12.535 1.00 0.00 H ATOM 1656 N ASP B 58 1.147 -5.505 -14.410 1.00 25.82 N ATOM 1657 CA ASP B 58 2.261 -6.429 -14.121 1.00 29.22 C ATOM 1658 C ASP B 58 3.609 -5.732 -13.944 1.00 31.91 C ATOM 1659 O ASP B 58 4.593 -6.406 -13.612 1.00 34.23 O ATOM 1660 CB ASP B 58 2.384 -7.483 -15.245 1.00 31.00 C ATOM 1661 CG ASP B 58 2.488 -6.849 -16.656 1.00 32.25 C ATOM 1662 OD1 ASP B 58 3.457 -6.114 -16.895 1.00 33.52 O ATOM 1663 OD2 ASP B 58 1.594 -7.067 -17.508 1.00 32.83 O ATOM 1664 H ASP B 58 1.246 -4.856 -15.217 1.00 0.00 H ATOM 1665 N TRP B 59 3.630 -4.396 -14.062 1.00 32.68 N ATOM 1666 CA TRP B 59 4.867 -3.623 -14.350 1.00 32.19 C ATOM 1667 C TRP B 59 5.362 -2.590 -13.314 1.00 30.08 C ATOM 1668 O TRP B 59 6.094 -1.671 -13.677 1.00 30.09 O ATOM 1669 CB TRP B 59 4.718 -2.920 -15.704 1.00 33.30 C ATOM 1670 CG TRP B 59 3.523 -2.047 -15.785 1.00 32.79 C ATOM 1671 CD1 TRP B 59 3.306 -0.899 -15.103 1.00 34.25 C ATOM 1672 CD2 TRP B 59 2.364 -2.267 -16.589 1.00 33.42 C ATOM 1673 NE1 TRP B 59 2.080 -0.374 -15.435 1.00 35.38 N ATOM 1674 CE2 TRP B 59 1.482 -1.192 -16.351 1.00 33.60 C ATOM 1675 CE3 TRP B 59 1.988 -3.262 -17.495 1.00 34.57 C ATOM 1676 CZ2 TRP B 59 0.243 -1.085 -16.973 1.00 35.09 C ATOM 1677 CZ3 TRP B 59 0.767 -3.147 -18.142 1.00 36.21 C ATOM 1678 CH2 TRP B 59 -0.103 -2.069 -17.872 1.00 36.39 C ATOM 1679 HE1 TRP B 59 1.674 0.503 -15.051 1.00 0.00 H ATOM 1680 H TRP B 59 2.737 -3.875 -13.946 1.00 0.00 H ATOM 1681 N PHE B 60 4.998 -2.730 -12.045 1.00 28.49 N ATOM 1682 CA PHE B 60 5.622 -1.938 -10.982 1.00 27.32 C ATOM 1683 C PHE B 60 6.377 -2.884 -10.102 1.00 25.93 C ATOM 1684 O PHE B 60 5.743 -3.655 -9.400 1.00 27.69 O ATOM 1685 CB PHE B 60 4.584 -1.177 -10.154 1.00 28.38 C ATOM 1686 CG PHE B 60 3.720 -0.256 -10.968 1.00 29.40 C ATOM 1687 CD1 PHE B 60 4.288 0.798 -11.681 1.00 29.36 C ATOM 1688 CD2 PHE B 60 2.337 -0.436 -11.030 1.00 29.78 C ATOM 1689 CE1 PHE B 60 3.504 1.658 -12.438 1.00 28.29 C ATOM 1690 CE2 PHE B 60 1.545 0.429 -11.773 1.00 30.09 C ATOM 1691 CZ PHE B 60 2.135 1.471 -12.492 1.00 29.87 C ATOM 1692 H PHE B 60 4.255 -3.416 -11.801 1.00 0.00 H ATOM 1693 N PRO B 61 7.733 -2.851 -10.142 1.00 26.33 N ATOM 1694 CA PRO B 61 8.591 -3.659 -9.249 1.00 25.67 C ATOM 1695 C PRO B 61 8.295 -3.551 -7.751 1.00 23.83 C ATOM 1696 O PRO B 61 8.447 -4.527 -7.038 1.00 25.98 O ATOM 1697 CB PRO B 61 9.992 -3.119 -9.537 1.00 26.11 C ATOM 1698 CG PRO B 61 9.938 -2.729 -10.960 1.00 26.43 C ATOM 1699 CD PRO B 61 8.546 -2.173 -11.173 1.00 26.70 C ATOM 1700 N THR B 62 7.863 -2.386 -7.284 1.00 22.50 N ATOM 1701 CA THR B 62 7.529 -2.191 -5.870 1.00 22.53 C ATOM 1702 C THR B 62 6.177 -2.807 -5.439 1.00 21.77 C ATOM 1703 O THR B 62 5.852 -2.815 -4.247 1.00 20.93 O ATOM 1704 CB THR B 62 7.558 -0.690 -5.494 1.00 23.35 C ATOM 1705 OG1 THR B 62 6.600 0.049 -6.270 1.00 21.82 O ATOM 1706 CG2 THR B 62 8.961 -0.114 -5.739 1.00 23.47 C ATOM 1707 HG1 THR B 62 5.692 -0.306 -6.097 1.00 0.00 H ATOM 1708 H THR B 62 7.758 -1.587 -7.941 1.00 0.00 H ATOM 1709 N MET B 63 5.401 -3.301 -6.411 1.00 21.98 N ATOM 1710 CA MET B 63 4.128 -4.001 -6.180 1.00 21.36 C ATOM 1711 C MET B 63 4.213 -5.359 -6.887 1.00 22.23 C ATOM 1712 O MET B 63 3.762 -5.513 -8.039 1.00 20.71 O ATOM 1713 CB MET B 63 2.969 -3.184 -6.762 1.00 21.26 C ATOM 1714 CG MET B 63 2.800 -1.775 -6.195 1.00 19.99 C ATOM 1715 SD MET B 63 1.683 -0.797 -7.229 1.00 19.26 S ATOM 1716 CE MET B 63 0.157 -1.706 -6.960 1.00 18.40 C ATOM 1717 H MET B 63 5.719 -3.182 -7.394 1.00 0.00 H ATOM 1718 N PRO B 64 4.829 -6.345 -6.221 1.00 24.02 N ATOM 1719 CA PRO B 64 4.887 -7.686 -6.840 1.00 26.75 C ATOM 1720 C PRO B 64 3.481 -8.319 -6.945 1.00 27.71 C ATOM 1721 O PRO B 64 2.655 -8.069 -6.087 1.00 28.36 O ATOM 1722 CB PRO B 64 5.762 -8.508 -5.878 1.00 25.70 C ATOM 1723 CG PRO B 64 6.210 -7.573 -4.808 1.00 25.09 C ATOM 1724 CD PRO B 64 5.417 -6.316 -4.874 1.00 24.63 C ATOM 1725 N PRO B 65 3.220 -9.131 -7.982 1.00 27.13 N ATOM 1726 CA PRO B 65 1.939 -9.856 -8.084 1.00 25.64 C ATOM 1727 C PRO B 65 1.479 -10.495 -6.772 1.00 23.42 C ATOM 1728 O PRO B 65 2.285 -11.135 -6.080 1.00 23.64 O ATOM 1729 CB PRO B 65 2.227 -10.957 -9.108 1.00 26.44 C ATOM 1730 CG PRO B 65 3.457 -10.553 -9.835 1.00 27.05 C ATOM 1731 CD PRO B 65 4.201 -9.565 -8.998 1.00 27.79 C ATOM 1732 N GLY B 66 0.205 -10.301 -6.434 1.00 21.66 N ATOM 1733 CA GLY B 66 -0.414 -10.934 -5.265 1.00 20.43 C ATOM 1734 C GLY B 66 -0.118 -10.237 -3.954 1.00 19.79 C ATOM 1735 O GLY B 66 -0.552 -10.711 -2.909 1.00 20.15 O ATOM 1736 H GLY B 66 -0.376 -9.673 -7.025 1.00 0.00 H ATOM 1737 N SER B 67 0.565 -9.087 -4.014 1.00 18.09 N ATOM 1738 CA SER B 67 1.043 -8.398 -2.831 1.00 17.09 C ATOM 1739 C SER B 67 0.054 -7.422 -2.233 1.00 17.24 C ATOM 1740 O SER B 67 0.298 -6.904 -1.158 1.00 17.62 O ATOM 1741 CB SER B 67 2.334 -7.654 -3.144 1.00 16.60 C ATOM 1742 OG SER B 67 2.136 -6.588 -4.053 1.00 14.64 O ATOM 1743 HG SER B 67 1.774 -6.944 -4.903 1.00 0.00 H ATOM 1744 H SER B 67 0.761 -8.671 -4.947 1.00 0.00 H ATOM 1745 N LEU B 68 -1.066 -7.182 -2.895 1.00 17.87 N ATOM 1746 CA LEU B 68 -1.954 -6.076 -2.513 1.00 17.98 C ATOM 1747 C LEU B 68 -2.891 -6.530 -1.414 1.00 18.30 C ATOM 1748 O LEU B 68 -3.350 -7.685 -1.398 1.00 18.00 O ATOM 1749 CB LEU B 68 -2.729 -5.553 -3.729 1.00 18.95 C ATOM 1750 CG LEU B 68 -3.776 -4.441 -3.496 1.00 20.15 C ATOM 1751 CD1 LEU B 68 -3.644 -3.316 -4.499 1.00 20.20 C ATOM 1752 CD2 LEU B 68 -5.189 -5.024 -3.512 1.00 20.88 C ATOM 1753 H LEU B 68 -1.322 -7.788 -3.701 1.00 0.00 H ATOM 1754 N ARG B 69 -3.152 -5.618 -0.479 1.00 18.79 N ATOM 1755 CA ARG B 69 -4.009 -5.893 0.675 1.00 19.06 C ATOM 1756 C ARG B 69 -4.920 -4.707 0.945 1.00 19.05 C ATOM 1757 O ARG B 69 -4.808 -3.655 0.296 1.00 20.03 O ATOM 1758 CB ARG B 69 -3.149 -6.163 1.915 1.00 20.30 C ATOM 1759 CG ARG B 69 -2.155 -7.323 1.792 1.00 20.54 C ATOM 1760 CD ARG B 69 -2.865 -8.666 1.735 1.00 21.73 C ATOM 1761 NE ARG B 69 -1.922 -9.797 1.824 1.00 22.28 N ATOM 1762 CZ ARG B 69 -1.315 -10.383 0.789 1.00 22.25 C ATOM 1763 NH1 ARG B 69 -0.495 -11.397 1.016 1.00 24.92 N ATOM 1764 NH2 ARG B 69 -1.515 -9.994 -0.470 1.00 22.06 N ATOM 1765 HE ARG B 69 -1.712 -10.169 2.772 1.00 0.00 H ATOM 1766 HH12 ARG B 69 -0.014 -11.865 0.221 1.00 0.00 H ATOM 1767 HH11 ARG B 69 -0.332 -11.726 1.989 1.00 0.00 H ATOM 1768 HH22 ARG B 69 -1.022 -10.477 -1.248 1.00 0.00 H ATOM 1769 HH21 ARG B 69 -2.164 -9.207 -0.674 1.00 0.00 H ATOM 1770 H ARG B 69 -2.730 -4.672 -0.573 1.00 0.00 H ATOM 1771 N GLY B 70 -5.852 -4.901 1.868 1.00 18.86 N ATOM 1772 CA GLY B 70 -6.696 -3.811 2.371 1.00 18.71 C ATOM 1773 C GLY B 70 -7.560 -3.118 1.322 1.00 17.57 C ATOM 1774 O GLY B 70 -7.704 -1.900 1.340 1.00 17.49 O ATOM 1775 H GLY B 70 -5.990 -5.859 2.249 1.00 0.00 H ATOM 1776 N LEU B 71 -8.109 -3.924 0.424 1.00 16.41 N ATOM 1777 CA LEU B 71 -9.099 -3.527 -0.558 1.00 16.69 C ATOM 1778 C LEU B 71 -10.458 -4.040 -0.091 1.00 16.30 C ATOM 1779 O LEU B 71 -10.609 -5.231 0.184 1.00 16.98 O ATOM 1780 CB LEU B 71 -8.744 -4.169 -1.901 1.00 16.87 C ATOM 1781 CG LEU B 71 -9.708 -4.035 -3.080 1.00 17.76 C ATOM 1782 CD1 LEU B 71 -10.082 -2.598 -3.379 1.00 16.79 C ATOM 1783 CD2 LEU B 71 -9.083 -4.707 -4.305 1.00 18.25 C ATOM 1784 H LEU B 71 -7.806 -4.919 0.424 1.00 0.00 H ATOM 1785 N LEU B 72 -11.432 -3.145 0.014 1.00 15.71 N ATOM 1786 CA LEU B 72 -12.764 -3.489 0.491 1.00 15.35 C ATOM 1787 C LEU B 72 -13.824 -3.069 -0.498 1.00 14.42 C ATOM 1788 O LEU B 72 -13.925 -1.895 -0.826 1.00 14.07 O ATOM 1789 CB LEU B 72 -13.019 -2.807 1.829 1.00 16.11 C ATOM 1790 CG LEU B 72 -14.183 -3.293 2.701 1.00 16.61 C ATOM 1791 CD1 LEU B 72 -14.038 -4.735 3.169 1.00 16.61 C ATOM 1792 CD2 LEU B 72 -14.325 -2.377 3.904 1.00 16.94 C ATOM 1793 H LEU B 72 -11.236 -2.160 -0.255 1.00 0.00 H ATOM 1794 N LEU B 73 -14.613 -4.035 -0.957 1.00 14.51 N ATOM 1795 CA LEU B 73 -15.697 -3.795 -1.900 1.00 14.77 C ATOM 1796 C LEU B 73 -17.012 -3.726 -1.170 1.00 15.64 C ATOM 1797 O LEU B 73 -17.342 -4.588 -0.351 1.00 14.71 O ATOM 1798 CB LEU B 73 -15.782 -4.922 -2.908 1.00 14.68 C ATOM 1799 CG LEU B 73 -14.529 -5.289 -3.684 1.00 14.53 C ATOM 1800 CD1 LEU B 73 -14.814 -6.531 -4.518 1.00 14.31 C ATOM 1801 CD2 LEU B 73 -14.048 -4.136 -4.567 1.00 14.88 C ATOM 1802 H LEU B 73 -14.449 -5.008 -0.628 1.00 0.00 H ATOM 1803 N ARG B 74 -17.766 -2.684 -1.465 1.00 16.55 N ATOM 1804 CA ARG B 74 -19.099 -2.531 -0.932 1.00 17.52 C ATOM 1805 C ARG B 74 -20.121 -3.354 -1.739 1.00 17.03 C ATOM 1806 O ARG B 74 -20.163 -3.299 -2.970 1.00 16.48 O ATOM 1807 CB ARG B 74 -19.469 -1.069 -0.972 1.00 19.68 C ATOM 1808 CG ARG B 74 -20.862 -0.787 -0.478 1.00 22.26 C ATOM 1809 CD ARG B 74 -20.946 -0.404 0.991 1.00 25.00 C ATOM 1810 NE ARG B 74 -21.818 0.753 1.037 1.00 28.46 N ATOM 1811 CZ ARG B 74 -23.124 0.734 0.768 1.00 31.37 C ATOM 1812 NH1 ARG B 74 -23.776 -0.409 0.473 1.00 34.42 N ATOM 1813 NH2 ARG B 74 -23.785 1.883 0.785 1.00 32.97 N ATOM 1814 HE ARG B 74 -21.394 1.666 1.299 1.00 0.00 H ATOM 1815 HH12 ARG B 74 -24.795 -0.388 0.268 1.00 0.00 H ATOM 1816 HH11 ARG B 74 -23.259 -1.311 0.450 1.00 0.00 H ATOM 1817 HH22 ARG B 74 -24.804 1.900 0.579 1.00 0.00 H ATOM 1818 HH21 ARG B 74 -23.284 2.768 1.004 1.00 0.00 H ATOM 1819 H ARG B 74 -17.389 -1.952 -2.100 1.00 0.00 H ATOM 1820 N THR B 75 -20.966 -4.087 -1.031 1.00 17.22 N ATOM 1821 CA THR B 75 -21.949 -4.958 -1.656 1.00 17.78 C ATOM 1822 C THR B 75 -23.257 -4.849 -0.928 1.00 18.16 C ATOM 1823 O THR B 75 -23.263 -4.626 0.283 1.00 17.92 O ATOM 1824 CB THR B 75 -21.485 -6.429 -1.684 1.00 16.91 C ATOM 1825 OG1 THR B 75 -22.529 -7.231 -2.223 1.00 17.73 O ATOM 1826 CG2 THR B 75 -21.157 -6.951 -0.304 1.00 16.86 C ATOM 1827 HG1 THR B 75 -22.239 -8.177 -2.244 1.00 0.00 H ATOM 1828 H THR B 75 -20.926 -4.038 0.007 1.00 0.00 H ATOM 1829 N ASP B 76 -24.351 -5.025 -1.665 1.00 19.50 N ATOM 1830 CA ASP B 76 -25.696 -5.040 -1.081 1.00 21.57 C ATOM 1831 C ASP B 76 -26.151 -6.396 -0.574 1.00 20.94 C ATOM 1832 O ASP B 76 -27.174 -6.477 0.110 1.00 20.56 O ATOM 1833 CB ASP B 76 -26.713 -4.509 -2.063 1.00 23.08 C ATOM 1834 CG ASP B 76 -26.348 -3.152 -2.554 1.00 24.74 C ATOM 1835 OD1 ASP B 76 -25.780 -2.359 -1.773 1.00 29.31 O ATOM 1836 OD2 ASP B 76 -26.580 -2.876 -3.731 1.00 26.00 O ATOM 1837 H ASP B 76 -24.248 -5.157 -2.692 1.00 0.00 H ATOM 1838 N ASP B 77 -25.390 -7.446 -0.860 1.00 20.18 N ATOM 1839 CA ASP B 77 -25.732 -8.770 -0.350 1.00 19.88 C ATOM 1840 C ASP B 77 -24.495 -9.611 -0.245 1.00 19.30 C ATOM 1841 O ASP B 77 -24.220 -10.422 -1.130 1.00 21.37 O ATOM 1842 CB ASP B 77 -26.777 -9.436 -1.250 1.00 19.74 C ATOM 1843 CG ASP B 77 -27.375 -10.678 -0.627 1.00 19.55 C ATOM 1844 OD1 ASP B 77 -26.877 -11.185 0.408 1.00 17.72 O ATOM 1845 OD2 ASP B 77 -28.352 -11.158 -1.205 1.00 20.99 O ATOM 1846 H ASP B 77 -24.544 -7.324 -1.452 1.00 0.00 H ATOM 1847 N VAL B 78 -23.744 -9.387 0.829 1.00 19.38 N ATOM 1848 CA VAL B 78 -22.529 -10.136 1.102 1.00 20.99 C ATOM 1849 C VAL B 78 -22.789 -11.628 1.238 1.00 21.48 C ATOM 1850 O VAL B 78 -21.946 -12.423 0.831 1.00 21.74 O ATOM 1851 CB VAL B 78 -21.759 -9.608 2.367 1.00 21.85 C ATOM 1852 CG1 VAL B 78 -22.515 -9.826 3.677 1.00 22.56 C ATOM 1853 CG2 VAL B 78 -20.368 -10.224 2.481 1.00 21.67 C ATOM 1854 H VAL B 78 -24.037 -8.648 1.499 1.00 0.00 H ATOM 1855 N ASP B 79 -23.918 -11.994 1.854 1.00 22.58 N ATOM 1856 CA ASP B 79 -24.298 -13.410 2.042 1.00 23.05 C ATOM 1857 C ASP B 79 -24.473 -14.143 0.717 1.00 22.03 C ATOM 1858 O ASP B 79 -23.864 -15.194 0.509 1.00 22.08 O ATOM 1859 CB ASP B 79 -25.594 -13.540 2.870 1.00 23.75 C ATOM 1860 CG ASP B 79 -25.385 -13.255 4.361 1.00 24.27 C ATOM 1861 OD1 ASP B 79 -24.224 -13.064 4.794 1.00 24.25 O ATOM 1862 OD2 ASP B 79 -26.391 -13.217 5.112 1.00 25.35 O ATOM 1863 H ASP B 79 -24.553 -11.254 2.215 1.00 0.00 H ATOM 1864 N ALA B 80 -25.287 -13.587 -0.173 1.00 22.14 N ATOM 1865 CA ALA B 80 -25.454 -14.144 -1.529 1.00 22.97 C ATOM 1866 C ALA B 80 -24.154 -14.082 -2.368 1.00 23.91 C ATOM 1867 O ALA B 80 -23.877 -14.990 -3.170 1.00 23.36 O ATOM 1868 CB ALA B 80 -26.604 -13.461 -2.272 1.00 22.71 C ATOM 1869 H ALA B 80 -25.821 -12.735 0.093 1.00 0.00 H ATOM 1870 N ASP B 81 -23.369 -13.011 -2.193 1.00 24.60 N ATOM 1871 CA ASP B 81 -22.063 -12.912 -2.871 1.00 24.06 C ATOM 1872 C ASP B 81 -21.097 -14.004 -2.433 1.00 25.01 C ATOM 1873 O ASP B 81 -20.450 -14.644 -3.269 1.00 25.76 O ATOM 1874 CB ASP B 81 -21.411 -11.540 -2.658 1.00 23.19 C ATOM 1875 CG ASP B 81 -22.079 -10.416 -3.459 1.00 23.94 C ATOM 1876 OD1 ASP B 81 -22.929 -10.687 -4.358 1.00 23.62 O ATOM 1877 OD2 ASP B 81 -21.730 -9.236 -3.188 1.00 22.86 O ATOM 1878 H ASP B 81 -23.684 -12.239 -1.571 1.00 0.00 H ATOM 1879 N CYS B 82 -20.971 -14.218 -1.134 1.00 25.86 N ATOM 1880 CA CYS B 82 -20.035 -15.242 -0.637 1.00 27.55 C ATOM 1881 C CYS B 82 -20.389 -16.649 -1.092 1.00 27.94 C ATOM 1882 O CYS B 82 -19.497 -17.488 -1.287 1.00 27.00 O ATOM 1883 CB CYS B 82 -19.984 -15.241 0.882 1.00 28.22 C ATOM 1884 SG CYS B 82 -19.187 -13.771 1.521 1.00 29.85 S ATOM 1885 H CYS B 82 -21.535 -13.661 -0.460 1.00 0.00 H ATOM 1886 N ALA B 83 -21.690 -16.902 -1.202 1.00 27.61 N ATOM 1887 CA ALA B 83 -22.199 -18.188 -1.686 1.00 27.88 C ATOM 1888 C ALA B 83 -22.014 -18.308 -3.200 1.00 27.42 C ATOM 1889 O ALA B 83 -21.709 -19.397 -3.675 1.00 27.20 O ATOM 1890 CB ALA B 83 -23.667 -18.379 -1.288 1.00 26.95 C ATOM 1891 H ALA B 83 -22.370 -16.161 -0.935 1.00 0.00 H ATOM 1892 N ARG B 84 -22.199 -17.214 -3.958 1.00 26.23 N ATOM 1893 CA ARG B 84 -21.836 -17.234 -5.400 1.00 26.19 C ATOM 1894 C ARG B 84 -20.348 -17.478 -5.658 1.00 27.06 C ATOM 1895 O ARG B 84 -19.998 -18.157 -6.616 1.00 26.54 O ATOM 1896 CB ARG B 84 -22.266 -15.980 -6.138 1.00 25.63 C ATOM 1897 CG ARG B 84 -23.721 -16.004 -6.570 1.00 25.43 C ATOM 1898 CD ARG B 84 -24.063 -14.740 -7.336 1.00 26.26 C ATOM 1899 NE ARG B 84 -24.245 -13.592 -6.448 1.00 27.24 N ATOM 1900 CZ ARG B 84 -25.407 -13.168 -5.940 1.00 26.92 C ATOM 1901 NH1 ARG B 84 -26.548 -13.766 -6.229 1.00 26.86 N ATOM 1902 NH2 ARG B 84 -25.426 -12.116 -5.125 1.00 28.21 N ATOM 1903 HE ARG B 84 -23.392 -13.056 -6.188 1.00 0.00 H ATOM 1904 HH12 ARG B 84 -27.437 -13.415 -5.820 1.00 0.00 H ATOM 1905 HH11 ARG B 84 -26.558 -14.588 -6.866 1.00 0.00 H ATOM 1906 HH22 ARG B 84 -26.327 -11.782 -4.727 1.00 0.00 H ATOM 1907 HH21 ARG B 84 -24.540 -11.627 -4.886 1.00 0.00 H ATOM 1908 H ARG B 84 -22.597 -16.351 -3.535 1.00 0.00 H ATOM 1909 N LEU B 85 -19.483 -16.909 -4.818 1.00 26.64 N ATOM 1910 CA LEU B 85 -18.055 -17.078 -5.008 1.00 28.04 C ATOM 1911 C LEU B 85 -17.679 -18.520 -4.754 1.00 28.22 C ATOM 1912 O LEU B 85 -16.940 -19.103 -5.555 1.00 26.79 O ATOM 1913 CB LEU B 85 -17.225 -16.144 -4.120 1.00 27.80 C ATOM 1914 CG LEU B 85 -17.274 -14.655 -4.510 1.00 28.52 C ATOM 1915 CD1 LEU B 85 -16.624 -13.813 -3.424 1.00 27.96 C ATOM 1916 CD2 LEU B 85 -16.646 -14.365 -5.870 1.00 28.52 C ATOM 1917 H LEU B 85 -19.834 -16.340 -4.021 1.00 0.00 H ATOM 1918 N GLN B 86 -18.230 -19.074 -3.671 1.00 29.00 N ATOM 1919 CA GLN B 86 -17.982 -20.468 -3.224 1.00 31.52 C ATOM 1920 C GLN B 86 -18.320 -21.551 -4.243 1.00 31.51 C ATOM 1921 O GLN B 86 -17.535 -22.478 -4.438 1.00 30.48 O ATOM 1922 CB GLN B 86 -18.726 -20.760 -1.924 1.00 31.70 C ATOM 1923 CG GLN B 86 -17.960 -20.361 -0.682 1.00 32.55 C ATOM 1924 CD GLN B 86 -18.850 -20.350 0.529 1.00 35.45 C ATOM 1925 OE1 GLN B 86 -20.065 -20.172 0.402 1.00 38.35 O ATOM 1926 NE2 GLN B 86 -18.261 -20.528 1.720 1.00 35.85 N ATOM 1927 HE22 GLN B 86 -17.233 -20.674 1.775 1.00 0.00 H ATOM 1928 HE21 GLN B 86 -18.832 -20.520 2.589 1.00 0.00 H ATOM 1929 H GLN B 86 -18.876 -18.490 -3.103 1.00 0.00 H ATOM 1930 N GLU B 87 -19.482 -21.393 -4.879 1.00 32.52 N ATOM 1931 CA GLU B 87 -19.952 -22.260 -5.951 1.00 33.43 C ATOM 1932 C GLU B 87 -19.141 -22.159 -7.251 1.00 34.95 C ATOM 1933 O GLU B 87 -19.395 -22.922 -8.186 1.00 35.92 O ATOM 1934 CB GLU B 87 -21.427 -21.946 -6.237 1.00 33.65 C ATOM 1935 CG GLU B 87 -22.352 -22.320 -5.078 1.00 34.56 C ATOM 1936 CD GLU B 87 -23.629 -21.493 -5.010 1.00 34.38 C ATOM 1937 OE1 GLU B 87 -24.084 -20.977 -6.061 1.00 34.01 O ATOM 1938 OE2 GLU B 87 -24.175 -21.366 -3.889 1.00 33.12 O ATOM 1939 H GLU B 87 -20.091 -20.601 -4.591 1.00 0.00 H ATOM 1940 N ARG B 88 -18.202 -21.212 -7.322 1.00 35.13 N ATOM 1941 CA ARG B 88 -17.335 -21.013 -8.497 1.00 36.76 C ATOM 1942 C ARG B 88 -15.882 -21.323 -8.180 1.00 36.76 C ATOM 1943 O ARG B 88 -15.008 -21.111 -9.013 1.00 39.54 O ATOM 1944 CB ARG B 88 -17.472 -19.580 -9.013 1.00 38.15 C ATOM 1945 CG ARG B 88 -18.885 -19.224 -9.470 1.00 39.12 C ATOM 1946 CD ARG B 88 -19.018 -17.731 -9.730 1.00 40.00 C ATOM 1947 NE ARG B 88 -20.390 -17.313 -10.037 1.00 40.80 N ATOM 1948 CZ ARG B 88 -20.806 -16.048 -10.129 1.00 41.02 C ATOM 1949 NH1 ARG B 88 -22.077 -15.786 -10.401 1.00 41.34 N ATOM 1950 NH2 ARG B 88 -19.967 -15.031 -9.958 1.00 42.00 N ATOM 1951 HE ARG B 88 -21.094 -18.061 -10.196 1.00 0.00 H ATOM 1952 HH12 ARG B 88 -22.401 -14.800 -10.473 1.00 0.00 H ATOM 1953 HH11 ARG B 88 -22.750 -16.566 -10.543 1.00 0.00 H ATOM 1954 HH22 ARG B 88 -20.313 -14.053 -10.034 1.00 0.00 H ATOM 1955 HH21 ARG B 88 -18.965 -15.213 -9.748 1.00 0.00 H ATOM 1956 H ARG B 88 -18.076 -20.581 -6.505 1.00 0.00 H ATOM 1957 N GLY B 89 -15.634 -21.847 -6.984 1.00 36.58 N ATOM 1958 CA GLY B 89 -14.344 -22.398 -6.617 1.00 34.49 C ATOM 1959 C GLY B 89 -13.502 -21.523 -5.726 1.00 33.66 C ATOM 1960 O GLY B 89 -12.356 -21.861 -5.481 1.00 33.26 O ATOM 1961 H GLY B 89 -16.399 -21.863 -6.280 1.00 0.00 H ATOM 1962 N VAL B 90 -14.047 -20.409 -5.237 1.00 31.85 N ATOM 1963 CA VAL B 90 -13.265 -19.481 -4.416 1.00 31.46 C ATOM 1964 C VAL B 90 -13.436 -19.828 -2.942 1.00 30.45 C ATOM 1965 O VAL B 90 -14.568 -19.935 -2.453 1.00 27.72 O ATOM 1966 CB VAL B 90 -13.675 -18.005 -4.657 1.00 32.10 C ATOM 1967 CG1 VAL B 90 -12.767 -17.045 -3.891 1.00 32.16 C ATOM 1968 CG2 VAL B 90 -13.649 -17.688 -6.154 1.00 32.51 C ATOM 1969 H VAL B 90 -15.044 -20.195 -5.442 1.00 0.00 H ATOM 1970 N ALA B 91 -12.299 -19.991 -2.261 1.00 30.19 N ATOM 1971 CA ALA B 91 -12.239 -20.155 -0.815 1.00 29.85 C ATOM 1972 C ALA B 91 -12.579 -18.809 -0.212 1.00 30.25 C ATOM 1973 O ALA B 91 -11.871 -17.851 -0.470 1.00 33.13 O ATOM 1974 CB ALA B 91 -10.835 -20.590 -0.379 1.00 27.58 C ATOM 1975 H ALA B 91 -11.406 -20.001 -2.793 1.00 0.00 H ATOM 1976 N VAL B 92 -13.653 -18.750 0.575 1.00 30.94 N ATOM 1977 CA VAL B 92 -14.061 -17.537 1.285 1.00 31.85 C ATOM 1978 C VAL B 92 -13.905 -17.694 2.773 1.00 31.27 C ATOM 1979 O VAL B 92 -14.211 -18.737 3.305 1.00 35.55 O ATOM 1980 CB VAL B 92 -15.527 -17.209 0.982 1.00 32.82 C ATOM 1981 CG1 VAL B 92 -16.019 -16.006 1.785 1.00 32.43 C ATOM 1982 CG2 VAL B 92 -15.663 -16.952 -0.514 1.00 34.39 C ATOM 1983 H VAL B 92 -14.229 -19.608 0.690 1.00 0.00 H ATOM 1984 N ASP B 93 -13.451 -16.636 3.433 1.00 31.35 N ATOM 1985 CA ASP B 93 -13.406 -16.550 4.888 1.00 33.05 C ATOM 1986 C ASP B 93 -14.493 -15.533 5.291 1.00 32.84 C ATOM 1987 O ASP B 93 -14.331 -14.315 5.148 1.00 33.40 O ATOM 1988 CB ASP B 93 -11.972 -16.166 5.367 1.00 34.37 C ATOM 1989 CG ASP B 93 -11.853 -15.982 6.901 1.00 35.91 C ATOM 1990 OD1 ASP B 93 -12.660 -16.541 7.684 1.00 34.86 O ATOM 1991 OD2 ASP B 93 -10.922 -15.258 7.327 1.00 37.25 O ATOM 1992 H ASP B 93 -13.108 -15.823 2.882 1.00 0.00 H ATOM 1993 N GLY B 94 -15.609 -16.060 5.788 1.00 32.12 N ATOM 1994 CA GLY B 94 -16.743 -15.259 6.228 1.00 30.30 C ATOM 1995 C GLY B 94 -18.002 -15.771 5.573 1.00 29.08 C ATOM 1996 O GLY B 94 -17.955 -16.774 4.878 1.00 27.60 O ATOM 1997 H GLY B 94 -15.675 -17.095 5.866 1.00 0.00 H ATOM 1998 N PRO B 95 -19.126 -15.076 5.732 1.00 30.47 N ATOM 1999 CA PRO B 95 -19.201 -13.746 6.369 1.00 32.29 C ATOM 2000 C PRO B 95 -19.175 -13.748 7.913 1.00 33.30 C ATOM 2001 O PRO B 95 -19.591 -14.705 8.528 1.00 33.71 O ATOM 2002 CB PRO B 95 -20.538 -13.188 5.870 1.00 32.32 C ATOM 2003 CG PRO B 95 -20.998 -14.099 4.799 1.00 32.06 C ATOM 2004 CD PRO B 95 -20.358 -15.428 5.016 1.00 30.47 C ATOM 2005 N LYS B 96 -18.657 -12.681 8.505 1.00 34.82 N ATOM 2006 CA LYS B 96 -18.686 -12.452 9.942 1.00 35.55 C ATOM 2007 C LYS B 96 -19.255 -11.061 10.134 1.00 32.83 C ATOM 2008 O LYS B 96 -18.980 -10.159 9.327 1.00 31.65 O ATOM 2009 CB LYS B 96 -17.272 -12.437 10.559 1.00 41.57 C ATOM 2010 CG LYS B 96 -16.266 -13.476 10.066 1.00 47.82 C ATOM 2011 CD LYS B 96 -16.332 -14.780 10.847 1.00 53.33 C ATOM 2012 CE LYS B 96 -15.760 -14.653 12.265 1.00 56.74 C ATOM 2013 NZ LYS B 96 -16.676 -15.291 13.256 1.00 59.61 N ATOM 2014 HZ1 LYS B 96 -17.603 -14.822 13.221 1.00 0.00 H ATOM 2015 HZ2 LYS B 96 -16.787 -16.299 13.025 1.00 0.00 H ATOM 2016 HZ3 LYS B 96 -16.273 -15.196 14.210 1.00 0.00 H ATOM 2017 H LYS B 96 -18.202 -11.963 7.906 1.00 0.00 H ATOM 2018 N ASN B 97 -19.997 -10.853 11.214 1.00 29.72 N ATOM 2019 CA ASN B 97 -20.326 -9.490 11.608 1.00 29.28 C ATOM 2020 C ASN B 97 -19.118 -8.819 12.277 1.00 28.63 C ATOM 2021 O ASN B 97 -18.367 -9.436 13.048 1.00 25.06 O ATOM 2022 CB ASN B 97 -21.551 -9.452 12.504 1.00 29.69 C ATOM 2023 CG ASN B 97 -22.784 -9.984 11.811 1.00 28.52 C ATOM 2024 OD1 ASN B 97 -23.037 -9.683 10.660 1.00 28.31 O ATOM 2025 ND2 ASN B 97 -23.534 -10.799 12.502 1.00 30.65 N ATOM 2026 HD22 ASN B 97 -23.282 -11.031 13.484 1.00 0.00 H ATOM 2027 HD21 ASN B 97 -24.383 -11.217 12.070 1.00 0.00 H ATOM 2028 H ASN B 97 -20.341 -11.658 11.775 1.00 0.00 H ATOM 2029 N THR B 98 -18.920 -7.561 11.913 1.00 27.81 N ATOM 2030 CA THR B 98 -17.902 -6.726 12.508 1.00 28.39 C ATOM 2031 C THR B 98 -18.604 -5.459 12.939 1.00 29.20 C ATOM 2032 O THR B 98 -19.744 -5.227 12.524 1.00 29.50 O ATOM 2033 CB THR B 98 -16.772 -6.405 11.496 1.00 27.59 C ATOM 2034 OG1 THR B 98 -17.201 -5.392 10.569 1.00 24.18 O ATOM 2035 CG2 THR B 98 -16.361 -7.656 10.759 1.00 26.88 C ATOM 2036 HG1 THR B 98 -17.996 -5.714 10.074 1.00 0.00 H ATOM 2037 H THR B 98 -19.523 -7.157 11.168 1.00 0.00 H ATOM 2038 N PRO B 99 -17.925 -4.608 13.733 1.00 31.67 N ATOM 2039 CA PRO B 99 -18.514 -3.300 14.065 1.00 31.99 C ATOM 2040 C PRO B 99 -18.920 -2.441 12.848 1.00 32.74 C ATOM 2041 O PRO B 99 -19.844 -1.615 12.946 1.00 34.31 O ATOM 2042 CB PRO B 99 -17.405 -2.610 14.874 1.00 33.77 C ATOM 2043 CG PRO B 99 -16.535 -3.715 15.389 1.00 32.42 C ATOM 2044 CD PRO B 99 -16.626 -4.831 14.410 1.00 32.23 C ATOM 2045 N TRP B 100 -18.245 -2.643 11.713 1.00 32.96 N ATOM 2046 CA TRP B 100 -18.436 -1.802 10.538 1.00 32.31 C ATOM 2047 C TRP B 100 -19.179 -2.507 9.407 1.00 31.70 C ATOM 2048 O TRP B 100 -19.011 -2.141 8.243 1.00 31.76 O ATOM 2049 CB TRP B 100 -17.075 -1.301 10.048 1.00 32.56 C ATOM 2050 CG TRP B 100 -16.201 -0.854 11.169 1.00 32.26 C ATOM 2051 CD1 TRP B 100 -16.275 0.325 11.847 1.00 30.84 C ATOM 2052 CD2 TRP B 100 -15.134 -1.596 11.750 1.00 32.72 C ATOM 2053 NE1 TRP B 100 -15.305 0.373 12.818 1.00 32.53 N ATOM 2054 CE2 TRP B 100 -14.585 -0.795 12.779 1.00 33.92 C ATOM 2055 CE3 TRP B 100 -14.573 -2.862 11.491 1.00 35.53 C ATOM 2056 CZ2 TRP B 100 -13.507 -1.222 13.575 1.00 35.79 C ATOM 2057 CZ3 TRP B 100 -13.493 -3.299 12.284 1.00 37.22 C ATOM 2058 CH2 TRP B 100 -12.973 -2.475 13.317 1.00 37.17 C ATOM 2059 HE1 TRP B 100 -15.143 1.163 13.474 1.00 0.00 H ATOM 2060 H TRP B 100 -17.561 -3.425 11.666 1.00 0.00 H ATOM 2061 N GLY B 101 -20.024 -3.480 9.746 1.00 29.61 N ATOM 2062 CA GLY B 101 -20.826 -4.189 8.749 1.00 28.62 C ATOM 2063 C GLY B 101 -20.455 -5.647 8.668 1.00 27.02 C ATOM 2064 O GLY B 101 -19.510 -6.091 9.316 1.00 31.60 O ATOM 2065 H GLY B 101 -20.116 -3.743 10.748 1.00 0.00 H ATOM 2066 N ARG B 102 -21.218 -6.390 7.879 1.00 24.29 N ATOM 2067 CA ARG B 102 -21.005 -7.810 7.678 1.00 23.67 C ATOM 2068 C ARG B 102 -19.961 -7.971 6.589 1.00 24.15 C ATOM 2069 O ARG B 102 -20.128 -7.412 5.507 1.00 25.31 O ATOM 2070 CB ARG B 102 -22.311 -8.452 7.270 1.00 22.79 C ATOM 2071 CG ARG B 102 -22.295 -9.958 7.262 1.00 22.75 C ATOM 2072 CD ARG B 102 -23.725 -10.503 7.379 1.00 22.76 C ATOM 2073 NE ARG B 102 -23.745 -11.942 7.142 1.00 23.08 N ATOM 2074 CZ ARG B 102 -23.472 -12.893 8.048 1.00 24.28 C ATOM 2075 NH1 ARG B 102 -23.164 -12.607 9.326 1.00 23.94 N ATOM 2076 NH2 ARG B 102 -23.507 -14.166 7.660 1.00 24.70 N ATOM 2077 HE ARG B 102 -23.994 -12.260 6.183 1.00 0.00 H ATOM 2078 HH12 ARG B 102 -22.959 -13.376 9.996 1.00 0.00 H ATOM 2079 HH11 ARG B 102 -23.131 -11.617 9.644 1.00 0.00 H ATOM 2080 HH22 ARG B 102 -23.300 -14.923 8.342 1.00 0.00 H ATOM 2081 HH21 ARG B 102 -23.742 -14.403 6.675 1.00 0.00 H ATOM 2082 H ARG B 102 -22.007 -5.932 7.380 1.00 0.00 H ATOM 2083 N GLN B 103 -18.905 -8.732 6.875 1.00 23.87 N ATOM 2084 CA GLN B 103 -17.692 -8.735 6.076 1.00 24.76 C ATOM 2085 C GLN B 103 -17.150 -10.108 5.779 1.00 24.94 C ATOM 2086 O GLN B 103 -17.311 -11.023 6.561 1.00 26.07 O ATOM 2087 CB GLN B 103 -16.586 -7.937 6.773 1.00 25.39 C ATOM 2088 CG GLN B 103 -16.891 -6.450 6.844 1.00 26.08 C ATOM 2089 CD GLN B 103 -15.759 -5.531 7.317 1.00 25.47 C ATOM 2090 OE1 GLN B 103 -15.971 -4.317 7.408 1.00 26.54 O ATOM 2091 NE2 GLN B 103 -14.578 -6.079 7.624 1.00 24.95 N ATOM 2092 HE22 GLN B 103 -14.442 -7.106 7.533 1.00 0.00 H ATOM 2093 HE21 GLN B 103 -13.796 -5.478 7.954 1.00 0.00 H ATOM 2094 H GLN B 103 -18.952 -9.352 7.709 1.00 0.00 H ATOM 2095 N ALA B 104 -16.459 -10.215 4.653 1.00 24.83 N ATOM 2096 CA ALA B 104 -15.935 -11.471 4.154 1.00 26.13 C ATOM 2097 C ALA B 104 -14.657 -11.202 3.347 1.00 28.06 C ATOM 2098 O ALA B 104 -14.339 -10.055 3.040 1.00 27.85 O ATOM 2099 CB ALA B 104 -16.969 -12.141 3.293 1.00 25.41 C ATOM 2100 H ALA B 104 -16.284 -9.353 4.099 1.00 0.00 H ATOM 2101 N MET B 105 -13.927 -12.253 2.991 1.00 30.46 N ATOM 2102 CA MET B 105 -12.586 -12.079 2.434 1.00 31.26 C ATOM 2103 C MET B 105 -12.205 -13.221 1.514 1.00 28.61 C ATOM 2104 O MET B 105 -12.502 -14.372 1.794 1.00 28.78 O ATOM 2105 CB MET B 105 -11.603 -12.041 3.581 1.00 35.10 C ATOM 2106 CG MET B 105 -10.639 -10.868 3.580 1.00 41.41 C ATOM 2107 SD MET B 105 -9.411 -11.088 4.897 1.00 46.80 S ATOM 2108 CE MET B 105 -10.460 -11.545 6.291 1.00 46.09 C ATOM 2109 H MET B 105 -14.314 -13.211 3.110 1.00 0.00 H ATOM 2110 N PHE B 106 -11.506 -12.896 0.439 1.00 26.59 N ATOM 2111 CA PHE B 106 -11.006 -13.893 -0.486 1.00 24.69 C ATOM 2112 C PHE B 106 -9.846 -13.340 -1.279 1.00 24.64 C ATOM 2113 O PHE B 106 -9.608 -12.139 -1.288 1.00 27.01 O ATOM 2114 CB PHE B 106 -12.121 -14.366 -1.421 1.00 24.36 C ATOM 2115 CG PHE B 106 -12.672 -13.291 -2.324 1.00 23.26 C ATOM 2116 CD1 PHE B 106 -13.546 -12.340 -1.846 1.00 23.62 C ATOM 2117 CD2 PHE B 106 -12.360 -13.276 -3.662 1.00 24.34 C ATOM 2118 CE1 PHE B 106 -14.072 -11.367 -2.675 1.00 23.54 C ATOM 2119 CE2 PHE B 106 -12.866 -12.304 -4.510 1.00 24.06 C ATOM 2120 CZ PHE B 106 -13.725 -11.347 -4.012 1.00 24.82 C ATOM 2121 H PHE B 106 -11.309 -11.892 0.252 1.00 0.00 H ATOM 2122 N SER B 107 -9.114 -14.235 -1.929 1.00 23.96 N ATOM 2123 CA SER B 107 -7.910 -13.887 -2.664 1.00 22.32 C ATOM 2124 C SER B 107 -8.170 -14.131 -4.130 1.00 21.86 C ATOM 2125 O SER B 107 -8.922 -15.037 -4.465 1.00 20.36 O ATOM 2126 CB SER B 107 -6.730 -14.766 -2.222 1.00 22.77 C ATOM 2127 OG SER B 107 -6.484 -14.650 -0.832 1.00 22.15 O ATOM 2128 HG SER B 107 -5.720 -15.228 -0.584 1.00 0.00 H ATOM 2129 H SER B 107 -9.415 -15.230 -1.912 1.00 0.00 H ATOM 2130 N ASP B 108 -7.562 -13.309 -4.991 1.00 21.66 N ATOM 2131 CA ASP B 108 -7.516 -13.577 -6.431 1.00 21.80 C ATOM 2132 C ASP B 108 -6.457 -14.677 -6.723 1.00 21.24 C ATOM 2133 O ASP B 108 -5.768 -15.111 -5.816 1.00 20.51 O ATOM 2134 CB ASP B 108 -7.325 -12.260 -7.234 1.00 22.01 C ATOM 2135 CG ASP B 108 -5.893 -11.743 -7.275 1.00 22.19 C ATOM 2136 OD1 ASP B 108 -4.986 -12.298 -6.640 1.00 22.56 O ATOM 2137 OD2 ASP B 108 -5.699 -10.697 -7.919 1.00 22.35 O ATOM 2138 H ASP B 108 -7.105 -12.449 -4.626 1.00 0.00 H ATOM 2139 N PRO B 109 -6.333 -15.132 -7.977 1.00 21.19 N ATOM 2140 CA PRO B 109 -5.357 -16.175 -8.291 1.00 21.60 C ATOM 2141 C PRO B 109 -3.893 -15.879 -7.898 1.00 22.61 C ATOM 2142 O PRO B 109 -3.138 -16.827 -7.616 1.00 22.16 O ATOM 2143 CB PRO B 109 -5.481 -16.308 -9.815 1.00 21.85 C ATOM 2144 CG PRO B 109 -6.877 -15.875 -10.109 1.00 21.25 C ATOM 2145 CD PRO B 109 -7.045 -14.702 -9.193 1.00 21.91 C ATOM 2146 N ASP B 110 -3.501 -14.601 -7.895 1.00 21.66 N ATOM 2147 CA ASP B 110 -2.157 -14.193 -7.512 1.00 21.15 C ATOM 2148 C ASP B 110 -1.964 -14.057 -6.026 1.00 20.75 C ATOM 2149 O ASP B 110 -0.837 -13.992 -5.581 1.00 20.61 O ATOM 2150 CB ASP B 110 -1.764 -12.866 -8.193 1.00 21.90 C ATOM 2151 CG ASP B 110 -1.497 -13.023 -9.691 1.00 22.31 C ATOM 2152 OD1 ASP B 110 -0.446 -13.615 -10.051 1.00 23.81 O ATOM 2153 OD2 ASP B 110 -2.324 -12.551 -10.506 1.00 21.79 O ATOM 2154 H ASP B 110 -4.183 -13.869 -8.178 1.00 0.00 H ATOM 2155 N GLY B 111 -3.048 -13.959 -5.254 1.00 21.41 N ATOM 2156 CA GLY B 111 -2.964 -13.888 -3.793 1.00 20.31 C ATOM 2157 C GLY B 111 -3.262 -12.531 -3.185 1.00 20.62 C ATOM 2158 O GLY B 111 -3.051 -12.358 -1.984 1.00 19.24 O ATOM 2159 H GLY B 111 -3.985 -13.932 -5.705 1.00 0.00 H ATOM 2160 N ASN B 112 -3.765 -11.591 -4.008 1.00 20.64 N ATOM 2161 CA ASN B 112 -4.249 -10.271 -3.533 1.00 20.67 C ATOM 2162 C ASN B 112 -5.512 -10.473 -2.744 1.00 19.81 C ATOM 2163 O ASN B 112 -6.383 -11.165 -3.200 1.00 20.98 O ATOM 2164 CB ASN B 112 -4.602 -9.353 -4.706 1.00 20.20 C ATOM 2165 CG ASN B 112 -3.401 -8.988 -5.546 1.00 20.71 C ATOM 2166 OD1 ASN B 112 -2.420 -8.472 -5.026 1.00 20.54 O ATOM 2167 ND2 ASN B 112 -3.466 -9.270 -6.861 1.00 20.47 N ATOM 2168 HD22 ASN B 112 -4.322 -9.709 -7.257 1.00 0.00 H ATOM 2169 HD21 ASN B 112 -2.661 -9.049 -7.481 1.00 0.00 H ATOM 2170 H ASN B 112 -3.817 -11.800 -5.025 1.00 0.00 H ATOM 2171 N VAL B 113 -5.622 -9.850 -1.586 1.00 20.89 N ATOM 2172 CA VAL B 113 -6.743 -10.086 -0.675 1.00 20.79 C ATOM 2173 C VAL B 113 -7.827 -8.998 -0.827 1.00 21.08 C ATOM 2174 O VAL B 113 -7.632 -7.802 -0.483 1.00 19.97 O ATOM 2175 CB VAL B 113 -6.267 -10.205 0.797 1.00 21.27 C ATOM 2176 CG1 VAL B 113 -7.432 -10.518 1.735 1.00 21.27 C ATOM 2177 CG2 VAL B 113 -5.198 -11.294 0.920 1.00 21.46 C ATOM 2178 H VAL B 113 -4.887 -9.168 -1.311 1.00 0.00 H ATOM 2179 N ILE B 114 -8.977 -9.452 -1.324 1.00 19.86 N ATOM 2180 CA ILE B 114 -10.154 -8.628 -1.484 1.00 18.96 C ATOM 2181 C ILE B 114 -11.157 -8.879 -0.361 1.00 19.51 C ATOM 2182 O ILE B 114 -11.525 -10.043 -0.086 1.00 19.52 O ATOM 2183 CB ILE B 114 -10.830 -8.969 -2.802 1.00 18.76 C ATOM 2184 CG1 ILE B 114 -9.813 -8.882 -3.932 1.00 18.78 C ATOM 2185 CG2 ILE B 114 -12.002 -8.032 -3.067 1.00 18.60 C ATOM 2186 CD1 ILE B 114 -10.218 -9.713 -5.127 1.00 19.76 C ATOM 2187 H ILE B 114 -9.031 -10.450 -1.611 1.00 0.00 H ATOM 2188 N GLY B 115 -11.652 -7.787 0.213 1.00 18.30 N ATOM 2189 CA GLY B 115 -12.730 -7.820 1.177 1.00 18.94 C ATOM 2190 C GLY B 115 -14.093 -7.433 0.619 1.00 18.73 C ATOM 2191 O GLY B 115 -14.188 -6.728 -0.369 1.00 17.89 O ATOM 2192 H GLY B 115 -11.245 -6.865 -0.043 1.00 0.00 H ATOM 2193 N LEU B 116 -15.144 -7.911 1.272 1.00 19.53 N ATOM 2194 CA LEU B 116 -16.520 -7.540 0.957 1.00 20.62 C ATOM 2195 C LEU B 116 -17.137 -6.962 2.197 1.00 20.82 C ATOM 2196 O LEU B 116 -16.805 -7.387 3.316 1.00 21.13 O ATOM 2197 CB LEU B 116 -17.336 -8.759 0.516 1.00 22.39 C ATOM 2198 CG LEU B 116 -16.988 -9.454 -0.805 1.00 22.66 C ATOM 2199 CD1 LEU B 116 -17.778 -10.744 -0.935 1.00 23.95 C ATOM 2200 CD2 LEU B 116 -17.253 -8.592 -2.024 1.00 23.16 C ATOM 2201 H LEU B 116 -14.979 -8.584 2.048 1.00 0.00 H ATOM 2202 N ASN B 117 -18.023 -5.985 2.025 1.00 21.66 N ATOM 2203 CA ASN B 117 -18.687 -5.360 3.162 1.00 22.21 C ATOM 2204 C ASN B 117 -20.067 -4.880 2.834 1.00 22.39 C ATOM 2205 O ASN B 117 -20.254 -4.065 1.944 1.00 19.03 O ATOM 2206 CB ASN B 117 -17.885 -4.182 3.751 1.00 23.71 C ATOM 2207 CG ASN B 117 -18.483 -3.668 5.082 1.00 25.29 C ATOM 2208 OD1 ASN B 117 -18.882 -4.454 5.948 1.00 27.29 O ATOM 2209 ND2 ASN B 117 -18.586 -2.358 5.226 1.00 25.52 N ATOM 2210 HD22 ASN B 117 -18.240 -1.724 4.478 1.00 0.00 H ATOM 2211 HD21 ASN B 117 -19.013 -1.962 6.087 1.00 0.00 H ATOM 2212 H ASN B 117 -18.246 -5.661 1.062 1.00 0.00 H ATOM 2213 N GLN B 118 -21.020 -5.395 3.616 1.00 25.92 N ATOM 2214 CA GLN B 118 -22.397 -4.982 3.587 1.00 26.08 C ATOM 2215 C GLN B 118 -22.632 -4.296 4.938 1.00 30.24 C ATOM 2216 O GLN B 118 -22.552 -4.934 5.989 1.00 28.65 O ATOM 2217 CB GLN B 118 -23.304 -6.183 3.413 1.00 25.40 C ATOM 2218 CG GLN B 118 -24.688 -5.785 2.971 1.00 24.00 C ATOM 2219 CD GLN B 118 -25.659 -6.920 3.023 1.00 23.95 C ATOM 2220 OE1 GLN B 118 -25.287 -8.063 2.872 1.00 21.03 O ATOM 2221 NE2 GLN B 118 -26.938 -6.598 3.238 1.00 26.16 N ATOM 2222 HE22 GLN B 118 -27.210 -5.602 3.362 1.00 0.00 H ATOM 2223 HE21 GLN B 118 -27.662 -7.344 3.281 1.00 0.00 H ATOM 2224 H GLN B 118 -20.749 -6.141 4.288 1.00 0.00 H ATOM 2225 N PRO B 119 -22.907 -2.992 4.919 1.00 32.61 N ATOM 2226 CA PRO B 119 -23.059 -2.284 6.180 1.00 35.21 C ATOM 2227 C PRO B 119 -24.352 -2.574 6.937 1.00 37.15 C ATOM 2228 O PRO B 119 -25.377 -2.871 6.322 1.00 31.58 O ATOM 2229 CB PRO B 119 -22.999 -0.819 5.762 1.00 38.56 C ATOM 2230 CG PRO B 119 -22.182 -0.833 4.511 1.00 38.09 C ATOM 2231 CD PRO B 119 -22.643 -2.073 3.806 1.00 36.06 C ATOM 2232 N SER B 120 -24.255 -2.487 8.275 1.00 40.50 N ATOM 2233 CA SER B 120 -25.338 -2.830 9.207 1.00 42.37 C ATOM 2234 C SER B 120 -26.418 -1.757 9.149 1.00 44.05 C ATOM 2235 O SER B 120 -27.363 -1.872 8.376 1.00 43.46 O ATOM 2236 CB SER B 120 -24.825 -2.966 10.657 1.00 43.06 C ATOM 2237 OG SER B 120 -23.611 -3.710 10.748 1.00 41.99 O ATOM 2238 HG SER B 120 -23.330 -3.765 11.696 1.00 0.00 H ATOM 2239 H SER B 120 -23.355 -2.155 8.677 1.00 0.00 H TER 2240 SER B 120 HETATM 2241 O HOH 1 4.648 9.396 6.460 1.00 23.64 O HETATM 2242 O HOH 2 -13.738 13.930 10.108 1.00 25.60 O HETATM 2243 O HOH 3 2.111 27.542 -8.428 1.00 12.25 O HETATM 2244 O HOH 4 -15.499 5.107 1.237 1.00 8.79 O HETATM 2245 O HOH 5 -12.692 8.154 -4.882 1.00 6.58 O HETATM 2246 O HOH 6 6.236 15.172 -5.736 1.00 11.02 O HETATM 2247 O HOH 7 1.388 21.044 6.146 1.00 23.85 O HETATM 2248 O HOH 8 2.037 18.364 4.151 1.00 24.19 O HETATM 2249 O HOH 9 9.256 4.185 -2.775 1.00 24.57 O HETATM 2250 O HOH 10 -2.431 1.951 -7.080 1.00 19.35 O HETATM 2251 O HOH 11 -18.946 4.346 -0.413 1.00 11.67 O HETATM 2252 O HOH 12 1.752 -1.434 4.819 1.00 16.12 O HETATM 2253 O HOH 13 -16.357 4.020 -6.906 1.00 5.96 O HETATM 2254 O HOH 14 -8.440 17.188 -3.176 1.00 20.33 O HETATM 2255 O HOH 15 2.311 20.724 -21.338 1.00 10.79 O HETATM 2256 O HOH 16 -12.885 20.103 2.999 1.00 14.28 O HETATM 2257 O HOH 17 4.921 -2.807 5.540 1.00 15.27 O HETATM 2258 O HOH 18 6.725 26.295 -12.977 1.00 22.54 O HETATM 2259 O HOH 19 4.624 13.697 12.121 1.00 28.21 O HETATM 2260 O HOH 20 5.803 26.264 -0.965 1.00 7.75 O HETATM 2261 O HOH 21 -1.657 17.539 -27.336 1.00 20.12 O HETATM 2262 O HOH 22 -6.860 -7.524 2.908 1.00 21.86 O HETATM 2263 O HOH 23 3.171 9.166 3.103 1.00 17.10 O HETATM 2264 O HOH 24 -22.011 8.344 -7.389 1.00 27.37 O HETATM 2265 O HOH 25 2.715 5.610 -10.934 1.00 12.37 O HETATM 2266 O HOH 26 6.076 21.758 -8.835 1.00 18.36 O HETATM 2267 O HOH 27 -10.848 17.322 6.639 1.00 18.94 O HETATM 2268 O HOH 28 -22.418 -9.094 -11.227 1.00 28.07 O HETATM 2269 O HOH 29 2.890 6.229 12.338 1.00 14.35 O HETATM 2270 O HOH 30 -3.570 -0.331 -3.117 1.00 18.20 O HETATM 2271 O HOH 31 -21.605 6.013 -1.659 1.00 35.55 O HETATM 2272 O HOH 32 5.173 6.132 -11.710 1.00 20.73 O HETATM 2273 O HOH 33 0.010 22.841 2.215 1.00 22.25 O HETATM 2274 O HOH 34 6.427 27.505 -6.039 1.00 28.09 O HETATM 2275 O HOH 35 -21.988 -12.092 -11.651 1.00 13.98 O HETATM 2276 O HOH 36 -21.792 2.942 -7.790 1.00 16.80 O HETATM 2277 O HOH 37 -6.356 6.454 16.774 1.00 30.82 O HETATM 2278 O HOH 38 -0.844 12.124 -26.573 1.00 12.83 O HETATM 2279 O HOH 39 8.635 14.112 2.581 1.00 33.31 O HETATM 2280 O HOH 40 7.035 11.950 -8.310 1.00 20.62 O HETATM 2281 O HOH 41 11.395 15.871 -13.304 1.00 33.38 O HETATM 2282 O HOH 42 11.584 12.279 -6.097 1.00 17.39 O HETATM 2283 O HOH 43 1.376 7.164 -24.425 1.00 18.27 O HETATM 2284 O HOH 44 -12.681 4.753 -13.489 1.00 6.50 O HETATM 2285 O HOH 45 -27.375 -4.215 5.446 1.00 32.07 O HETATM 2286 O HOH 46 -16.589 14.074 -5.360 1.00 7.34 O HETATM 2287 O HOH 47 -17.167 8.690 -6.339 1.00 11.91 O HETATM 2288 O HOH 48 -22.263 -21.269 1.303 1.00 27.16 O HETATM 2289 O HOH 49 -13.885 18.676 -8.643 1.00 22.96 O HETATM 2290 O HOH 50 -5.518 -1.841 -1.491 1.00 13.43 O HETATM 2291 O HOH 51 -14.251 8.243 -13.174 1.00 22.99 O HETATM 2292 O HOH 52 -3.880 -19.408 -7.723 1.00 21.45 O HETATM 2293 O HOH 53 -1.671 -17.523 -5.436 1.00 21.99 O HETATM 2294 O HOH 54 -25.176 -3.642 -5.931 1.00 22.80 O HETATM 2295 O HOH 55 -15.719 1.599 -7.398 1.00 10.64 O HETATM 2296 O HOH 56 -3.924 -14.467 0.147 1.00 15.72 O HETATM 2297 O HOH 57 -14.947 7.243 -5.841 1.00 7.74 O HETATM 2298 O HOH 58 6.522 -6.387 -9.786 1.00 22.92 O HETATM 2299 O HOH 59 -11.382 5.665 -16.295 1.00 24.23 O HETATM 2300 O HOH 60 -25.445 -5.748 6.956 1.00 26.33 O HETATM 2301 O HOH 61 -19.924 -22.830 2.518 1.00 22.32 O HETATM 2302 O HOH 62 -7.350 22.216 -1.176 1.00 6.32 O HETATM 2303 O HOH 63 -4.121 -17.073 -4.064 1.00 28.21 O HETATM 2304 O HOH 64 -10.116 20.603 -1.447 1.00 20.64 O HETATM 2305 O HOH 65 0.754 0.784 -18.832 1.00 27.82 O HETATM 2306 O HOH 66 -12.548 1.691 -23.612 1.00 21.59 O HETATM 2307 O HOH 67 3.053 -3.244 -2.700 1.00 32.09 O HETATM 2308 O HOH 68 -28.286 -15.395 0.574 1.00 24.77 O HETATM 2309 O HOH 69 -2.148 -16.629 -12.037 1.00 19.92 O HETATM 2310 O HOH 70 -17.442 11.561 -6.484 1.00 11.66 O HETATM 2311 O HOH 71 -30.524 -7.911 0.765 1.00 20.78 O HETATM 2312 O HOH 72 -7.256 -14.026 3.044 1.00 26.05 O HETATM 2313 O HOH 73 -0.229 -2.386 -3.398 1.00 43.00 O HETATM 2314 CAA D A 77 -5.393 -9.335 5.745 1.00 0.07 C HETATM 2315 OAV D A 77 -6.575 -8.513 5.563 1.00 -0.28 O HETATM 2316 CAX D A 77 -7.089 -7.976 6.732 1.00 0.27 C HETATM 2317 OAC D A 77 -6.358 -7.748 7.705 1.00 -0.37 O HETATM 2318 CBK D A 77 -8.668 -7.693 6.848 1.00 0.19 C HETATM 2319 OAJ D A 77 -9.457 -8.861 6.650 1.00 -0.37 O HETATM 2320 H5 D A 77 -9.289 -9.212 5.784 1.00 0.21 H HETATM 2321 CBM D A 77 -9.313 -6.499 5.983 1.00 0.13 C HETATM 2322 CAB D A 77 -8.285 -5.824 5.277 1.00 -0.03 C HETATM 2323 H6 D A 77 -8.723 -5.007 4.684 1.00 0.03 H HETATM 2324 H7 D A 77 -7.776 -6.531 4.606 1.00 0.03 H HETATM 2325 H8 D A 77 -7.559 -5.410 5.993 1.00 0.03 H HETATM 2326 OAK D A 77 -10.264 -7.054 4.893 1.00 -0.38 O HETATM 2327 H9 D A 77 -10.980 -7.521 5.307 1.00 0.21 H HETATM 2328 CBO D A 77 -10.045 -5.548 6.965 1.00 0.13 C HETATM 2329 OAW D A 77 -10.516 -6.035 8.148 1.00 -0.41 O HETATM 2330 CBN D A 77 -9.658 -4.964 8.344 1.00 0.12 C HETATM 2331 CBB D A 77 -10.268 -3.761 8.826 1.00 -0.00 C HETATM 2332 CAT D A 77 -9.702 -3.118 9.935 1.00 -0.01 C HETATM 2333 CAZ D A 77 -10.188 -1.936 10.456 1.00 0.13 C HETATM 2334 OAG D A 77 -9.585 -1.388 11.546 1.00 -0.33 O HETATM 2335 H11 D A 77 -10.031 -0.583 11.782 1.00 0.25 H HETATM 2336 CBH D A 77 -11.302 -1.302 9.876 1.00 0.10 C HETATM 2337 CBD D A 77 -11.788 -0.080 10.402 1.00 0.17 C HETATM 2338 OAD D A 77 -11.268 0.452 11.390 1.00 -0.36 O HETATM 2339 CBF D A 77 -12.883 0.534 9.790 1.00 0.03 C HETATM 2340 CAS D A 77 -13.372 1.748 10.301 1.00 -0.06 C HETATM 2341 CAR D A 77 -14.469 2.374 9.714 1.00 -0.03 C HETATM 2342 CAY D A 77 -15.072 1.795 8.601 1.00 0.13 C HETATM 2343 OAF D A 77 -16.135 2.372 7.994 1.00 -0.33 O HETATM 2344 H14 D A 77 -16.408 1.836 7.258 1.00 0.25 H HETATM 2345 CBA D A 77 -14.590 0.587 8.086 1.00 0.14 C HETATM 2346 OAH D A 77 -15.203 0.026 6.998 1.00 -0.33 O HETATM 2347 H15 D A 77 -14.763 -0.785 6.771 1.00 0.25 H HETATM 2348 CBG D A 77 -13.495 -0.067 8.670 1.00 0.07 C HETATM 2349 CBE D A 77 -13.022 -1.284 8.143 1.00 0.16 C HETATM 2350 OAE D A 77 -13.600 -1.780 7.169 1.00 -0.38 O HETATM 2351 CBI D A 77 -11.909 -1.924 8.734 1.00 0.09 C HETATM 2352 CBC D A 77 -11.392 -3.158 8.215 1.00 0.09 C HETATM 2353 NAU D A 77 -11.953 -3.812 7.069 1.00 -0.28 N HETATM 2354 CBL D A 77 -11.069 -4.539 6.118 1.00 0.13 C HETATM 2355 CAO D A 77 -10.200 -3.554 5.527 1.00 -0.07 C HETATM 2356 CAM D A 77 -9.369 -2.709 5.074 1.00 -0.07 C HETATM 2357 CAQ D A 77 -8.285 -1.696 4.630 1.00 -0.00 C HETATM 2358 CAP D A 77 -7.126 -1.810 5.463 1.00 -0.00 C HETATM 2359 CAL D A 77 -7.328 -2.882 6.528 1.00 -0.07 C HETATM 2360 CAN D A 77 -7.645 -3.804 7.352 1.00 -0.08 C HETATM 2361 CBJ D A 77 -8.094 -4.923 8.257 1.00 0.12 C HETATM 2362 OAI D A 77 -7.264 -4.735 9.527 1.00 -0.39 O HETATM 2363 H21 D A 77 -6.341 -4.798 9.313 1.00 0.21 H HETATM 2364 H20 D A 77 -7.792 -5.884 7.814 1.00 0.06 H HETATM 2365 H19 D A 77 -6.223 -1.212 5.351 1.00 0.07 H HETATM 2366 H18 D A 77 -8.389 -0.996 3.802 1.00 0.07 H HETATM 2367 H17 D A 77 -11.654 -5.088 5.366 1.00 0.07 H HETATM 2368 H16 D A 77 -12.969 -3.779 6.904 1.00 0.19 H HETATM 2369 H13 D A 77 -14.850 3.304 10.120 1.00 0.06 H HETATM 2370 H12 D A 77 -12.891 2.202 11.160 1.00 0.06 H HETATM 2371 H10 D A 77 -8.839 -3.572 10.408 1.00 0.07 H HETATM 2372 H4 D A 77 -8.812 -7.397 7.897 1.00 0.09 H HETATM 2373 H1 D A 77 -5.058 -9.716 4.769 1.00 0.06 H HETATM 2374 H2 D A 77 -5.633 -10.181 6.406 1.00 0.06 H HETATM 2375 H3 D A 77 -4.593 -8.731 6.198 1.00 0.06 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 1121 1122 1131 1132 1133 CONECT 1131 1121 CONECT 1132 1121 CONECT 1133 1121 CONECT 2314 2315 2373 2374 2375 CONECT 2315 2314 2316 CONECT 2316 2315 2317 2318 CONECT 2317 2316 CONECT 2318 2316 2319 2321 2372 CONECT 2319 2318 2320 CONECT 2320 2319 CONECT 2321 2318 2322 2326 2328 CONECT 2322 2321 2323 2324 2325 CONECT 2323 2322 CONECT 2324 2322 CONECT 2325 2322 CONECT 2326 2321 2327 CONECT 2327 2326 CONECT 2328 2321 2329 2330 2354 CONECT 2329 2328 2330 CONECT 2330 2328 2329 2331 2361 CONECT 2331 2330 2332 2352 CONECT 2332 2331 2333 2371 CONECT 2333 2332 2334 2336 CONECT 2334 2333 2335 CONECT 2335 2334 CONECT 2336 2333 2337 2351 CONECT 2337 2336 2338 2339 CONECT 2338 2337 CONECT 2339 2337 2340 2348 CONECT 2340 2339 2341 2370 CONECT 2341 2340 2342 2369 CONECT 2342 2341 2343 2345 CONECT 2343 2342 2344 CONECT 2344 2343 CONECT 2345 2342 2346 2348 CONECT 2346 2345 2347 CONECT 2347 2346 CONECT 2348 2339 2345 2349 CONECT 2349 2348 2350 2351 CONECT 2350 2349 CONECT 2351 2336 2349 2352 CONECT 2352 2331 2351 2353 CONECT 2353 2352 2354 2368 CONECT 2354 2328 2353 2355 2367 CONECT 2355 2354 2356 CONECT 2356 2355 2357 CONECT 2357 2356 2358 2366 CONECT 2358 2357 2359 2365 CONECT 2359 2358 2360 CONECT 2360 2359 2361 CONECT 2361 2330 2360 2362 2364 CONECT 2362 2361 2363 CONECT 2363 2362 CONECT 2364 2361 CONECT 2365 2358 CONECT 2366 2357 CONECT 2367 2354 CONECT 2368 2353 CONECT 2369 2341 CONECT 2370 2340 CONECT 2371 2332 CONECT 2372 2318 CONECT 2373 2314 CONECT 2374 2314 CONECT 2375 2314 MASTER 0 0 0 0 0 0 0 0 2373 2 70 20 END
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Structure:
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Related entries of code: 6bbx
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5umx
RCSB PDB
PDBbind
140aa, >5UMX_1|Chains... at 100%
5umy
RCSB PDB
PDBbind
140aa, >5UMY_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6bbx
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Glyoxalase/bleomycin resisance protein/dioxygenase
Ligand Name
D77
EC.Number
E.C.-.-.-.-
Resolution
2.2(Å)
Affinity (Kd/Ki/IC50)
Kd=215nM
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
2
9
H
2
1
NO
1
1
Molecular Weight
559.477
Exact Mass
559.111
No. of atoms
62
No. of bonds
67
Polar Surface Area
206.38
LOGP Value
1.07 (
Computed with XLOGP3
)
-0.30 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 7
No. of Hydrogen Bond Acceptors: 9
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 12
No. of Rings: 6
Canonical SMILES
COC(=O)[C@@H]([C@]([C@]12O[C@]32[C@H](O)C#C/C=C\C#C[C@@H]1Nc1c3cc(c2c1C(=O)c1c(C2=O)ccc(c1O)O)O)(O)C)O
InChI String
InChI=1S/C29H21NO11/c1-27(39,25(37)26(38)40-2)29-16-7-5-3-4-6-8-17(33)28(29,41-29)13-11-15(32)19-20(21(13)30-16)24(36)18-12(22(19)34)9-10-14(31)23(18)35/h3-4,9-11,16-17,25,30-33,35,37,39H,1-2H3/b4-3-/t16-,17+,25-,27+,28-,29+/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
A0A125SA29
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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