Browse entries in the PDBbind-CN Database
HEADER 5H7H_COMPLEX COMPND 5H7H_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 130 LEU TYR PHE GLN GLY ALA ASP SER CYS ILE GLN PHE THR SEQRES 2 A 130 ARG HIS ALA SER ASP VAL LEU LEU ASN LEU ASN ARG LEU SEQRES 3 A 130 ARG SER ARG ASP ILE LEU THR ASP VAL VAL ILE VAL VAL SEQRES 4 A 130 SER ARG GLU GLN PHE ARG ALA HIS LYS THR VAL LEU MET SEQRES 5 A 130 ALA CYS SER GLY LEU PHE TYR SER ILE PHE THR ASP GLN SEQRES 6 A 130 LEU LYS CYS ASN LEU SER VAL ILE ASN LEU ASP PRO GLU SEQRES 7 A 130 ILE ASN PRO GLU GLY PHE CYS ILE LEU LEU ASP PHE MET SEQRES 8 A 130 TYR THR SER ARG LEU ASN LEU ARG GLU GLY ASN ILE MET SEQRES 9 A 130 ALA VAL MET ALA THR ALA MET TYR LEU GLN MET GLU HIS SEQRES 10 A 130 VAL VAL ASP THR CYS ARG LYS PHE ILE LYS ALA SER GLU SEQRES 1 B 130 LEU TYR PHE GLN GLY ALA ASP SER CYS ILE GLN PHE THR SEQRES 2 B 130 ARG HIS ALA SER ASP VAL LEU LEU ASN LEU ASN ARG LEU SEQRES 3 B 130 ARG SER ARG ASP ILE LEU THR ASP VAL VAL ILE VAL VAL SEQRES 4 B 130 SER ARG GLU GLN PHE ARG ALA HIS LYS THR VAL LEU MET SEQRES 5 B 130 ALA CYS SER GLY LEU PHE TYR SER ILE PHE THR ASP GLN SEQRES 6 B 130 LEU LYS CYS ASN LEU SER VAL ILE ASN LEU ASP PRO GLU SEQRES 7 B 130 ILE ASN PRO GLU GLY PHE CYS ILE LEU LEU ASP PHE MET SEQRES 8 B 130 TYR THR SER ARG LEU ASN LEU ARG GLU GLY ASN ILE MET SEQRES 9 B 130 ALA VAL MET ALA THR ALA MET TYR LEU GLN MET GLU HIS SEQRES 10 B 130 VAL VAL ASP THR CYS ARG LYS PHE ILE LYS ALA SER GLU HET ACE A 401 85 ATOM 1 N LEU A 0 54.890 -20.533 -20.153 1.00 49.99 N ATOM 2 CA LEU A 0 53.442 -20.178 -20.051 1.00 47.73 C ATOM 3 C LEU A 0 52.556 -20.997 -21.012 1.00 44.16 C ATOM 4 O LEU A 0 51.355 -21.130 -20.766 1.00 42.10 O ATOM 5 CB LEU A 0 53.191 -18.669 -20.328 1.00 50.72 C ATOM 6 CG LEU A 0 54.204 -17.500 -20.313 1.00 53.11 C ATOM 7 CD1 LEU A 0 55.343 -17.665 -21.306 1.00 54.12 C ATOM 8 CD2 LEU A 0 53.468 -16.180 -20.606 1.00 53.90 C ATOM 9 HN3 LEU A 0 55.222 -20.354 -21.122 1.00 0.00 H ATOM 10 HN2 LEU A 0 55.016 -21.539 -19.922 1.00 0.00 H ATOM 11 HN1 LEU A 0 55.436 -19.952 -19.485 1.00 0.00 H ATOM 12 N TYR A 1 53.111 -21.465 -22.137 1.00 41.16 N ATOM 13 CA TYR A 1 52.341 -22.220 -23.123 1.00 39.73 C ATOM 14 C TYR A 1 53.144 -23.338 -23.783 1.00 39.11 C ATOM 15 O TYR A 1 54.377 -23.322 -23.819 1.00 37.48 O ATOM 16 CB TYR A 1 51.756 -21.306 -24.203 1.00 40.98 C ATOM 17 CG TYR A 1 52.756 -20.369 -24.839 1.00 44.19 C ATOM 18 CD1 TYR A 1 53.483 -20.734 -25.977 1.00 45.09 C ATOM 19 CD2 TYR A 1 52.974 -19.103 -24.291 1.00 45.97 C ATOM 20 CE1 TYR A 1 54.409 -19.856 -26.551 1.00 46.91 C ATOM 21 CE2 TYR A 1 53.891 -18.226 -24.844 1.00 47.19 C ATOM 22 CZ TYR A 1 54.597 -18.591 -25.969 1.00 47.78 C ATOM 23 OH TYR A 1 55.479 -17.658 -26.464 1.00 48.58 O ATOM 24 HH TYR A 1 55.928 -18.024 -27.267 1.00 0.00 H ATOM 25 H TYR A 1 54.120 -21.286 -22.314 1.00 0.00 H ATOM 26 N PHE A 2 52.415 -24.313 -24.304 1.00 37.52 N ATOM 27 CA PHE A 2 53.035 -25.496 -24.876 1.00 38.39 C ATOM 28 C PHE A 2 52.214 -26.029 -26.025 1.00 38.67 C ATOM 29 O PHE A 2 51.024 -25.720 -26.164 1.00 37.09 O ATOM 30 CB PHE A 2 53.241 -26.579 -23.808 1.00 37.74 C ATOM 31 CG PHE A 2 51.961 -27.097 -23.182 1.00 37.05 C ATOM 32 CD1 PHE A 2 51.292 -28.188 -23.733 1.00 37.28 C ATOM 33 CD2 PHE A 2 51.460 -26.532 -22.018 1.00 35.68 C ATOM 34 CE1 PHE A 2 50.146 -28.692 -23.150 1.00 36.86 C ATOM 35 CE2 PHE A 2 50.311 -27.037 -21.416 1.00 36.05 C ATOM 36 CZ PHE A 2 49.655 -28.121 -21.986 1.00 36.41 C ATOM 37 H PHE A 2 51.378 -24.230 -24.304 1.00 0.00 H ATOM 38 N GLN A 3 52.886 -26.820 -26.847 1.00 40.57 N ATOM 39 CA GLN A 3 52.257 -27.571 -27.901 1.00 42.54 C ATOM 40 C GLN A 3 51.469 -28.739 -27.312 1.00 43.15 C ATOM 41 O GLN A 3 52.051 -29.694 -26.769 1.00 45.44 O ATOM 42 CB GLN A 3 53.332 -28.081 -28.870 1.00 45.23 C ATOM 43 CG GLN A 3 52.804 -28.707 -30.141 1.00 46.84 C ATOM 44 CD GLN A 3 51.845 -27.788 -30.860 1.00 46.69 C ATOM 45 OE1 GLN A 3 52.231 -26.706 -31.306 1.00 48.57 O ATOM 46 NE2 GLN A 3 50.573 -28.189 -30.932 1.00 46.75 N ATOM 47 HE22 GLN A 3 50.296 -29.112 -30.541 1.00 0.00 H ATOM 48 HE21 GLN A 3 49.860 -27.578 -31.379 1.00 0.00 H ATOM 49 H GLN A 3 53.916 -26.902 -26.725 1.00 0.00 H ATOM 50 N GLY A 4 50.146 -28.675 -27.424 1.00 42.52 N ATOM 51 CA GLY A 4 49.271 -29.760 -26.983 1.00 43.66 C ATOM 52 C GLY A 4 49.360 -30.975 -27.902 1.00 46.00 C ATOM 53 O GLY A 4 49.970 -30.916 -28.975 1.00 46.25 O ATOM 54 H GLY A 4 49.718 -27.823 -27.840 1.00 0.00 H ATOM 55 N ALA A 5 48.741 -32.070 -27.465 1.00 47.86 N ATOM 56 CA ALA A 5 48.595 -33.294 -28.264 1.00 50.85 C ATOM 57 C ALA A 5 47.721 -33.075 -29.505 1.00 51.94 C ATOM 58 O ALA A 5 47.880 -33.776 -30.496 1.00 49.52 O ATOM 59 CB ALA A 5 48.003 -34.411 -27.412 1.00 51.49 C ATOM 60 H ALA A 5 48.339 -32.058 -26.506 1.00 0.00 H ATOM 61 N ASP A 6 46.778 -32.132 -29.415 1.00 53.25 N ATOM 62 CA ASP A 6 46.036 -31.635 -30.580 1.00 56.60 C ATOM 63 C ASP A 6 46.874 -30.513 -31.238 1.00 57.70 C ATOM 64 O ASP A 6 48.002 -30.261 -30.829 1.00 61.25 O ATOM 65 CB ASP A 6 44.615 -31.180 -30.176 1.00 57.61 C ATOM 66 CG ASP A 6 44.601 -29.939 -29.258 1.00 59.23 C ATOM 67 OD1 ASP A 6 45.535 -29.763 -28.439 1.00 60.67 O ATOM 68 OD2 ASP A 6 43.638 -29.132 -29.355 1.00 60.75 O ATOM 69 H ASP A 6 46.561 -31.733 -28.479 1.00 0.00 H ATOM 70 N SER A 7 46.361 -29.842 -32.260 1.00 56.71 N ATOM 71 CA SER A 7 47.155 -28.780 -32.902 1.00 54.30 C ATOM 72 C SER A 7 47.265 -27.514 -32.000 1.00 51.29 C ATOM 73 O SER A 7 48.254 -26.778 -32.066 1.00 50.88 O ATOM 74 CB SER A 7 46.577 -28.441 -34.275 1.00 54.69 C ATOM 75 OG SER A 7 45.274 -27.916 -34.150 1.00 55.52 O ATOM 76 HG SER A 7 44.918 -27.703 -35.049 1.00 0.00 H ATOM 77 H SER A 7 45.406 -30.064 -32.606 1.00 0.00 H ATOM 78 N CYS A 8 46.280 -27.286 -31.134 1.00 46.75 N ATOM 79 CA CYS A 8 46.250 -26.067 -30.356 1.00 45.72 C ATOM 80 C CYS A 8 47.453 -25.873 -29.443 1.00 43.99 C ATOM 81 O CYS A 8 48.030 -26.827 -28.904 1.00 44.81 O ATOM 82 CB CYS A 8 44.976 -25.973 -29.523 1.00 45.24 C ATOM 83 SG CYS A 8 43.500 -25.827 -30.549 1.00 48.75 S ATOM 84 H CYS A 8 45.525 -27.991 -31.016 1.00 0.00 H ATOM 85 N ILE A 9 47.808 -24.608 -29.306 1.00 41.16 N ATOM 86 CA ILE A 9 48.698 -24.133 -28.283 1.00 40.94 C ATOM 87 C ILE A 9 47.865 -24.118 -27.010 1.00 38.68 C ATOM 88 O ILE A 9 46.717 -23.664 -27.025 1.00 37.45 O ATOM 89 CB ILE A 9 49.195 -22.705 -28.620 1.00 42.42 C ATOM 90 CG1 ILE A 9 50.037 -22.728 -29.901 1.00 43.77 C ATOM 91 CG2 ILE A 9 50.009 -22.114 -27.474 1.00 43.66 C ATOM 92 CD1 ILE A 9 51.246 -23.616 -29.838 1.00 44.77 C ATOM 93 H ILE A 9 47.421 -23.915 -29.978 1.00 0.00 H ATOM 94 N GLN A 10 48.444 -24.590 -25.912 1.00 36.85 N ATOM 95 CA GLN A 10 47.753 -24.655 -24.659 1.00 36.34 C ATOM 96 C GLN A 10 48.495 -23.865 -23.591 1.00 35.23 C ATOM 97 O GLN A 10 49.741 -23.894 -23.526 1.00 34.24 O ATOM 98 CB GLN A 10 47.565 -26.107 -24.251 1.00 38.81 C ATOM 99 CG GLN A 10 46.507 -26.250 -23.201 1.00 41.06 C ATOM 100 CD GLN A 10 46.122 -27.689 -22.932 1.00 43.50 C ATOM 101 OE1 GLN A 10 46.238 -28.572 -23.789 1.00 45.52 O ATOM 102 NE2 GLN A 10 45.684 -27.925 -21.720 1.00 45.16 N ATOM 103 HE22 GLN A 10 45.605 -27.147 -21.035 1.00 0.00 H ATOM 104 HE21 GLN A 10 45.416 -28.891 -21.443 1.00 0.00 H ATOM 105 H GLN A 10 49.428 -24.922 -25.963 1.00 0.00 H ATOM 106 N PHE A 11 47.722 -23.120 -22.789 1.00 33.98 N ATOM 107 CA PHE A 11 48.266 -22.257 -21.744 1.00 34.26 C ATOM 108 C PHE A 11 48.165 -22.938 -20.382 1.00 34.66 C ATOM 109 O PHE A 11 47.077 -23.132 -19.869 1.00 35.01 O ATOM 110 CB PHE A 11 47.550 -20.906 -21.743 1.00 33.95 C ATOM 111 CG PHE A 11 47.981 -19.999 -22.857 1.00 34.88 C ATOM 112 CD1 PHE A 11 47.671 -20.304 -24.189 1.00 34.87 C ATOM 113 CD2 PHE A 11 48.701 -18.824 -22.583 1.00 35.73 C ATOM 114 CE1 PHE A 11 48.063 -19.468 -25.226 1.00 35.76 C ATOM 115 CE2 PHE A 11 49.099 -17.980 -23.627 1.00 36.91 C ATOM 116 CZ PHE A 11 48.782 -18.304 -24.944 1.00 36.90 C ATOM 117 H PHE A 11 46.691 -23.158 -22.916 1.00 0.00 H ATOM 118 N THR A 12 49.316 -23.262 -19.807 1.00 35.26 N ATOM 119 CA THR A 12 49.460 -23.970 -18.538 1.00 36.75 C ATOM 120 C THR A 12 48.711 -23.341 -17.369 1.00 36.21 C ATOM 121 O THR A 12 48.063 -24.051 -16.621 1.00 35.80 O ATOM 122 CB THR A 12 50.963 -24.047 -18.172 1.00 38.20 C ATOM 123 OG1 THR A 12 51.665 -24.510 -19.318 1.00 39.84 O ATOM 124 CG2 THR A 12 51.238 -24.978 -17.035 1.00 38.80 C ATOM 125 HG1 THR A 12 52.631 -24.568 -19.110 1.00 0.00 H ATOM 126 H THR A 12 50.189 -22.989 -20.302 1.00 0.00 H ATOM 127 N ARG A 13 48.798 -22.024 -17.209 1.00 35.85 N ATOM 128 CA ARG A 13 48.202 -21.360 -16.041 1.00 35.75 C ATOM 129 C ARG A 13 46.799 -20.805 -16.289 1.00 33.05 C ATOM 130 O ARG A 13 46.235 -20.171 -15.401 1.00 32.05 O ATOM 131 CB ARG A 13 49.110 -20.220 -15.547 1.00 38.57 C ATOM 132 CG ARG A 13 50.508 -20.648 -15.143 1.00 43.11 C ATOM 133 CD ARG A 13 50.496 -21.520 -13.898 1.00 45.80 C ATOM 134 NE ARG A 13 51.845 -21.989 -13.589 1.00 50.51 N ATOM 135 CZ ARG A 13 52.154 -23.157 -13.018 1.00 52.21 C ATOM 136 NH1 ARG A 13 51.215 -24.037 -12.654 1.00 53.42 N ATOM 137 NH2 ARG A 13 53.436 -23.452 -12.813 1.00 53.48 N ATOM 138 HE ARG A 13 52.634 -21.358 -13.835 1.00 0.00 H ATOM 139 HH12 ARG A 13 51.490 -24.937 -12.212 1.00 0.00 H ATOM 140 HH11 ARG A 13 50.210 -23.821 -12.813 1.00 0.00 H ATOM 141 HH22 ARG A 13 53.697 -24.356 -12.370 1.00 0.00 H ATOM 142 HH21 ARG A 13 54.176 -22.778 -13.096 1.00 0.00 H ATOM 143 H ARG A 13 49.296 -21.454 -17.922 1.00 0.00 H ATOM 144 N HIS A 14 46.228 -21.018 -17.471 1.00 31.24 N ATOM 145 CA HIS A 14 44.992 -20.325 -17.821 1.00 29.18 C ATOM 146 C HIS A 14 43.838 -20.708 -16.888 1.00 28.91 C ATOM 147 O HIS A 14 43.163 -19.829 -16.340 1.00 26.50 O ATOM 148 CB HIS A 14 44.602 -20.578 -19.266 1.00 29.13 C ATOM 149 CG HIS A 14 43.278 -20.000 -19.634 1.00 28.67 C ATOM 150 ND1 HIS A 14 43.079 -18.648 -19.796 1.00 28.21 N ATOM 151 CD2 HIS A 14 42.068 -20.584 -19.789 1.00 28.30 C ATOM 152 CE1 HIS A 14 41.813 -18.425 -20.084 1.00 28.61 C ATOM 153 NE2 HIS A 14 41.173 -19.581 -20.076 1.00 28.94 N ATOM 154 H HIS A 14 46.662 -21.679 -18.146 1.00 0.00 H ATOM 155 N ALA A 15 43.618 -22.006 -16.691 1.00 28.80 N ATOM 156 CA ALA A 15 42.475 -22.435 -15.889 1.00 28.48 C ATOM 157 C ALA A 15 42.617 -21.942 -14.457 1.00 28.28 C ATOM 158 O ALA A 15 41.660 -21.446 -13.889 1.00 27.07 O ATOM 159 CB ALA A 15 42.329 -23.945 -15.921 1.00 29.31 C ATOM 160 H ALA A 15 44.258 -22.712 -17.107 1.00 0.00 H ATOM 161 N SER A 16 43.810 -22.061 -13.871 1.00 28.85 N ATOM 162 CA SER A 16 44.006 -21.553 -12.508 1.00 29.99 C ATOM 163 C SER A 16 43.913 -20.016 -12.392 1.00 29.62 C ATOM 164 O SER A 16 43.425 -19.528 -11.384 1.00 29.45 O ATOM 165 CB SER A 16 45.307 -22.060 -11.874 1.00 31.75 C ATOM 166 OG SER A 16 46.385 -21.868 -12.739 1.00 34.65 O ATOM 167 HG SER A 16 46.224 -22.364 -13.580 1.00 0.00 H ATOM 168 H SER A 16 44.598 -22.512 -14.378 1.00 0.00 H ATOM 169 N ASP A 17 44.364 -19.280 -13.412 1.00 30.24 N ATOM 170 CA ASP A 17 44.204 -17.818 -13.453 1.00 30.30 C ATOM 171 C ASP A 17 42.738 -17.420 -13.563 1.00 28.72 C ATOM 172 O ASP A 17 42.296 -16.470 -12.900 1.00 28.93 O ATOM 173 CB ASP A 17 44.996 -17.199 -14.611 1.00 32.13 C ATOM 174 CG ASP A 17 46.497 -17.107 -14.334 1.00 35.29 C ATOM 175 OD1 ASP A 17 46.949 -17.380 -13.203 1.00 37.89 O ATOM 176 OD2 ASP A 17 47.242 -16.763 -15.279 1.00 37.43 O ATOM 177 H ASP A 17 44.844 -19.756 -14.203 1.00 0.00 H ATOM 178 N VAL A 18 41.954 -18.156 -14.359 1.00 27.69 N ATOM 179 CA VAL A 18 40.518 -17.907 -14.413 1.00 27.34 C ATOM 180 C VAL A 18 39.889 -18.053 -13.035 1.00 26.84 C ATOM 181 O VAL A 18 39.097 -17.204 -12.587 1.00 25.93 O ATOM 182 CB VAL A 18 39.795 -18.823 -15.422 1.00 27.79 C ATOM 183 CG1 VAL A 18 38.288 -18.744 -15.260 1.00 27.97 C ATOM 184 CG2 VAL A 18 40.156 -18.430 -16.845 1.00 28.90 C ATOM 185 H VAL A 18 42.371 -18.910 -14.942 1.00 0.00 H ATOM 186 N LEU A 19 40.237 -19.145 -12.358 1.00 26.84 N ATOM 187 CA LEU A 19 39.682 -19.411 -11.055 1.00 27.45 C ATOM 188 C LEU A 19 40.101 -18.331 -10.058 1.00 27.53 C ATOM 189 O LEU A 19 39.301 -17.895 -9.237 1.00 26.06 O ATOM 190 CB LEU A 19 40.100 -20.806 -10.567 1.00 28.68 C ATOM 191 CG LEU A 19 39.276 -21.344 -9.425 1.00 29.84 C ATOM 192 CD1 LEU A 19 37.826 -21.564 -9.833 1.00 29.98 C ATOM 193 CD2 LEU A 19 39.926 -22.630 -8.886 1.00 30.73 C ATOM 194 H LEU A 19 40.917 -19.813 -12.774 1.00 0.00 H ATOM 195 N LEU A 20 41.348 -17.893 -10.157 1.00 28.01 N ATOM 196 CA LEU A 20 41.869 -16.846 -9.300 1.00 29.83 C ATOM 197 C LEU A 20 41.078 -15.536 -9.523 1.00 28.64 C ATOM 198 O LEU A 20 40.642 -14.879 -8.587 1.00 28.60 O ATOM 199 CB LEU A 20 43.350 -16.691 -9.628 1.00 32.68 C ATOM 200 CG LEU A 20 44.246 -15.896 -8.720 1.00 36.44 C ATOM 201 CD1 LEU A 20 45.696 -16.264 -9.048 1.00 38.46 C ATOM 202 CD2 LEU A 20 43.998 -14.413 -8.934 1.00 38.38 C ATOM 203 H LEU A 20 41.973 -18.314 -10.873 1.00 0.00 H ATOM 204 N ASN A 21 40.843 -15.210 -10.772 1.00 27.96 N ATOM 205 CA ASN A 21 40.035 -14.043 -11.106 1.00 27.71 C ATOM 206 C ASN A 21 38.583 -14.156 -10.676 1.00 27.48 C ATOM 207 O ASN A 21 38.017 -13.174 -10.237 1.00 27.44 O ATOM 208 CB ASN A 21 40.141 -13.750 -12.576 1.00 27.30 C ATOM 209 CG ASN A 21 41.489 -13.158 -12.944 1.00 28.64 C ATOM 210 OD1 ASN A 21 42.165 -12.534 -12.110 1.00 29.89 O ATOM 211 ND2 ASN A 21 41.880 -13.331 -14.181 1.00 28.86 N ATOM 212 HD22 ASN A 21 41.281 -13.861 -14.846 1.00 0.00 H ATOM 213 HD21 ASN A 21 42.789 -12.939 -14.499 1.00 0.00 H ATOM 214 H ASN A 21 41.239 -15.793 -11.536 1.00 0.00 H ATOM 215 N LEU A 22 37.993 -15.340 -10.806 1.00 27.09 N ATOM 216 CA LEU A 22 36.627 -15.580 -10.292 1.00 27.14 C ATOM 217 C LEU A 22 36.552 -15.372 -8.775 1.00 27.53 C ATOM 218 O LEU A 22 35.610 -14.771 -8.275 1.00 27.47 O ATOM 219 CB LEU A 22 36.121 -16.984 -10.695 1.00 26.76 C ATOM 220 CG LEU A 22 35.822 -17.180 -12.193 1.00 26.72 C ATOM 221 CD1 LEU A 22 35.527 -18.631 -12.523 1.00 26.66 C ATOM 222 CD2 LEU A 22 34.682 -16.291 -12.677 1.00 27.29 C ATOM 223 H LEU A 22 38.502 -16.114 -11.279 1.00 0.00 H ATOM 224 N ASN A 23 37.563 -15.843 -8.047 1.00 27.64 N ATOM 225 CA ASN A 23 37.592 -15.655 -6.620 1.00 28.74 C ATOM 226 C ASN A 23 37.769 -14.186 -6.246 1.00 29.73 C ATOM 227 O ASN A 23 37.188 -13.730 -5.270 1.00 30.49 O ATOM 228 CB ASN A 23 38.676 -16.517 -5.960 1.00 28.97 C ATOM 229 CG ASN A 23 38.449 -16.705 -4.479 1.00 30.28 C ATOM 230 OD1 ASN A 23 37.322 -16.698 -3.988 1.00 29.84 O ATOM 231 ND2 ASN A 23 39.521 -16.917 -3.763 1.00 31.24 N ATOM 232 HD22 ASN A 23 40.457 -16.915 -4.216 1.00 0.00 H ATOM 233 HD21 ASN A 23 39.438 -17.088 -2.740 1.00 0.00 H ATOM 234 H ASN A 23 38.340 -16.352 -8.515 1.00 0.00 H ATOM 235 N ARG A 24 38.563 -13.457 -7.028 1.00 30.30 N ATOM 236 CA ARG A 24 38.720 -12.030 -6.832 1.00 31.26 C ATOM 237 C ARG A 24 37.398 -11.274 -7.076 1.00 30.95 C ATOM 238 O ARG A 24 37.058 -10.357 -6.328 1.00 31.41 O ATOM 239 CB ARG A 24 39.839 -11.513 -7.739 1.00 32.18 C ATOM 240 CG ARG A 24 40.155 -10.040 -7.595 1.00 34.30 C ATOM 241 CD ARG A 24 40.563 -9.686 -6.184 1.00 36.40 C ATOM 242 NE ARG A 24 41.016 -8.306 -6.124 1.00 38.57 N ATOM 243 CZ ARG A 24 41.380 -7.686 -5.008 1.00 41.18 C ATOM 244 NH1 ARG A 24 41.347 -8.312 -3.827 1.00 41.95 N ATOM 245 NH2 ARG A 24 41.764 -6.416 -5.074 1.00 42.34 N ATOM 246 HE ARG A 24 41.058 -7.769 -7.014 1.00 0.00 H ATOM 247 HH12 ARG A 24 41.636 -7.809 -2.964 1.00 0.00 H ATOM 248 HH11 ARG A 24 41.032 -9.302 -3.772 1.00 0.00 H ATOM 249 HH22 ARG A 24 42.053 -5.914 -4.210 1.00 0.00 H ATOM 250 HH21 ARG A 24 41.776 -5.923 -5.990 1.00 0.00 H ATOM 251 H ARG A 24 39.083 -13.923 -7.798 1.00 0.00 H ATOM 252 N LEU A 25 36.654 -11.658 -8.113 1.00 30.50 N ATOM 253 CA LEU A 25 35.318 -11.085 -8.325 1.00 30.13 C ATOM 254 C LEU A 25 34.402 -11.394 -7.142 1.00 30.67 C ATOM 255 O LEU A 25 33.679 -10.510 -6.675 1.00 29.96 O ATOM 256 CB LEU A 25 34.690 -11.590 -9.624 1.00 30.58 C ATOM 257 CG LEU A 25 35.363 -11.257 -10.950 1.00 31.33 C ATOM 258 CD1 LEU A 25 34.704 -12.073 -12.051 1.00 31.19 C ATOM 259 CD2 LEU A 25 35.278 -9.766 -11.241 1.00 32.40 C ATOM 260 H LEU A 25 37.022 -12.369 -8.777 1.00 0.00 H ATOM 261 N ARG A 26 34.436 -12.636 -6.645 1.00 30.09 N ATOM 262 CA ARG A 26 33.721 -12.971 -5.411 1.00 31.54 C ATOM 263 C ARG A 26 34.132 -12.088 -4.212 1.00 33.31 C ATOM 264 O ARG A 26 33.253 -11.518 -3.572 1.00 35.09 O ATOM 265 CB ARG A 26 33.849 -14.457 -5.050 1.00 31.21 C ATOM 266 CG ARG A 26 33.043 -14.839 -3.810 1.00 32.11 C ATOM 267 CD ARG A 26 33.082 -16.325 -3.541 1.00 32.22 C ATOM 268 NE ARG A 26 34.396 -16.832 -3.116 1.00 33.01 N ATOM 269 CZ ARG A 26 34.684 -17.393 -1.934 1.00 34.04 C ATOM 270 NH1 ARG A 26 33.761 -17.535 -0.976 1.00 34.89 N ATOM 271 NH2 ARG A 26 35.923 -17.835 -1.697 1.00 34.36 N ATOM 272 HE ARG A 26 35.176 -16.747 -3.799 1.00 0.00 H ATOM 273 HH12 ARG A 26 34.016 -17.975 -0.069 1.00 0.00 H ATOM 274 HH11 ARG A 26 32.788 -17.206 -1.138 1.00 0.00 H ATOM 275 HH22 ARG A 26 36.153 -18.271 -0.782 1.00 0.00 H ATOM 276 HH21 ARG A 26 36.657 -17.742 -2.428 1.00 0.00 H ATOM 277 H ARG A 26 34.977 -13.373 -7.141 1.00 0.00 H ATOM 278 N SER A 27 35.427 -11.948 -3.922 1.00 34.04 N ATOM 279 CA SER A 27 35.883 -11.057 -2.823 1.00 37.12 C ATOM 280 C SER A 27 35.351 -9.629 -2.900 1.00 37.55 C ATOM 281 O SER A 27 35.045 -9.050 -1.876 1.00 37.83 O ATOM 282 CB SER A 27 37.398 -10.930 -2.765 1.00 37.83 C ATOM 283 OG SER A 27 37.958 -12.211 -2.699 1.00 42.13 O ATOM 284 HG SER A 27 37.695 -12.727 -3.502 1.00 0.00 H ATOM 285 H SER A 27 36.132 -12.474 -4.477 1.00 0.00 H ATOM 286 N ARG A 28 35.305 -9.085 -4.109 1.00 36.73 N ATOM 287 CA ARG A 28 34.839 -7.735 -4.364 1.00 37.46 C ATOM 288 C ARG A 28 33.327 -7.655 -4.605 1.00 36.99 C ATOM 289 O ARG A 28 32.801 -6.570 -4.847 1.00 37.32 O ATOM 290 CB ARG A 28 35.621 -7.153 -5.546 1.00 38.26 C ATOM 291 CG ARG A 28 37.122 -7.063 -5.261 1.00 38.91 C ATOM 292 CD ARG A 28 37.905 -6.518 -6.437 1.00 40.22 C ATOM 293 NE ARG A 28 37.419 -5.185 -6.777 1.00 41.49 N ATOM 294 CZ ARG A 28 37.508 -4.598 -7.964 1.00 41.85 C ATOM 295 NH1 ARG A 28 38.115 -5.170 -8.992 1.00 41.37 N ATOM 296 NH2 ARG A 28 36.983 -3.394 -8.113 1.00 43.90 N ATOM 297 HE ARG A 28 36.959 -4.644 -6.017 1.00 0.00 H ATOM 298 HH12 ARG A 28 38.164 -4.678 -9.907 1.00 0.00 H ATOM 299 HH11 ARG A 28 38.543 -6.112 -8.885 1.00 0.00 H ATOM 300 HH22 ARG A 28 37.039 -2.912 -9.033 1.00 0.00 H ATOM 301 HH21 ARG A 28 36.514 -2.928 -7.310 1.00 0.00 H ATOM 302 H ARG A 28 35.620 -9.657 -4.918 1.00 0.00 H ATOM 303 N ASP A 29 32.633 -8.791 -4.514 1.00 35.26 N ATOM 304 CA ASP A 29 31.194 -8.873 -4.699 1.00 36.14 C ATOM 305 C ASP A 29 30.746 -8.360 -6.078 1.00 34.96 C ATOM 306 O ASP A 29 29.708 -7.701 -6.218 1.00 35.02 O ATOM 307 CB ASP A 29 30.453 -8.140 -3.563 1.00 38.49 C ATOM 308 CG ASP A 29 29.043 -8.653 -3.371 1.00 40.10 C ATOM 309 OD1 ASP A 29 28.826 -9.873 -3.524 1.00 40.18 O ATOM 310 OD2 ASP A 29 28.146 -7.844 -3.056 1.00 42.18 O ATOM 311 H ASP A 29 33.151 -9.667 -4.299 1.00 0.00 H ATOM 312 N ILE A 30 31.528 -8.704 -7.094 1.00 33.59 N ATOM 313 CA ILE A 30 31.266 -8.286 -8.459 1.00 33.49 C ATOM 314 C ILE A 30 30.549 -9.408 -9.202 1.00 32.63 C ATOM 315 O ILE A 30 31.076 -10.514 -9.339 1.00 30.99 O ATOM 316 CB ILE A 30 32.571 -7.898 -9.198 1.00 33.15 C ATOM 317 CG1 ILE A 30 33.223 -6.694 -8.516 1.00 34.23 C ATOM 318 CG2 ILE A 30 32.295 -7.590 -10.667 1.00 32.69 C ATOM 319 CD1 ILE A 30 34.623 -6.385 -9.030 1.00 34.48 C ATOM 320 H ILE A 30 32.361 -9.297 -6.904 1.00 0.00 H ATOM 321 N LEU A 31 29.355 -9.088 -9.693 1.00 33.56 N ATOM 322 CA LEU A 31 28.501 -10.005 -10.448 1.00 33.45 C ATOM 323 C LEU A 31 28.058 -11.254 -9.687 1.00 32.60 C ATOM 324 O LEU A 31 27.556 -12.185 -10.312 1.00 32.11 O ATOM 325 CB LEU A 31 29.135 -10.361 -11.824 1.00 33.80 C ATOM 326 CG LEU A 31 28.506 -9.515 -12.950 1.00 36.37 C ATOM 327 CD1 LEU A 31 28.959 -8.065 -12.885 1.00 37.68 C ATOM 328 CD2 LEU A 31 28.760 -10.078 -14.312 1.00 36.53 C ATOM 329 H LEU A 31 29.005 -8.122 -9.529 1.00 0.00 H ATOM 330 N THR A 32 28.184 -11.262 -8.357 1.00 33.06 N ATOM 331 CA THR A 32 27.612 -12.348 -7.548 1.00 32.92 C ATOM 332 C THR A 32 26.101 -12.312 -7.740 1.00 33.64 C ATOM 333 O THR A 32 25.511 -11.245 -7.838 1.00 32.58 O ATOM 334 CB THR A 32 27.973 -12.216 -6.072 1.00 33.40 C ATOM 335 OG1 THR A 32 27.732 -10.879 -5.638 1.00 34.14 O ATOM 336 CG2 THR A 32 29.461 -12.528 -5.849 1.00 33.14 C ATOM 337 HG1 THR A 32 27.967 -10.797 -4.680 1.00 0.00 H ATOM 338 H THR A 32 28.695 -10.488 -7.887 1.00 0.00 H ATOM 339 N ASP A 33 25.485 -13.478 -7.867 1.00 32.94 N ATOM 340 CA ASP A 33 24.081 -13.521 -8.232 1.00 33.97 C ATOM 341 C ASP A 33 23.237 -14.421 -7.345 1.00 33.67 C ATOM 342 O ASP A 33 22.084 -14.661 -7.644 1.00 33.60 O ATOM 343 CB ASP A 33 23.941 -13.885 -9.709 1.00 33.95 C ATOM 344 CG ASP A 33 24.622 -15.186 -10.063 1.00 34.65 C ATOM 345 OD1 ASP A 33 25.075 -15.931 -9.168 1.00 34.68 O ATOM 346 OD2 ASP A 33 24.713 -15.485 -11.261 1.00 35.73 O ATOM 347 H ASP A 33 26.008 -14.363 -7.705 1.00 0.00 H ATOM 348 N VAL A 34 23.815 -14.916 -6.259 1.00 32.33 N ATOM 349 CA VAL A 34 23.081 -15.707 -5.321 1.00 32.71 C ATOM 350 C VAL A 34 23.690 -15.567 -3.941 1.00 32.60 C ATOM 351 O VAL A 34 24.921 -15.358 -3.791 1.00 31.55 O ATOM 352 CB VAL A 34 22.976 -17.191 -5.772 1.00 31.71 C ATOM 353 CG1 VAL A 34 24.307 -17.918 -5.625 1.00 31.51 C ATOM 354 CG2 VAL A 34 21.888 -17.917 -5.000 1.00 31.95 C ATOM 355 H VAL A 34 24.823 -14.725 -6.086 1.00 0.00 H ATOM 356 N VAL A 35 22.819 -15.631 -2.940 1.00 32.90 N ATOM 357 CA VAL A 35 23.243 -15.786 -1.561 1.00 33.93 C ATOM 358 C VAL A 35 22.808 -17.168 -1.081 1.00 32.76 C ATOM 359 O VAL A 35 21.629 -17.519 -1.194 1.00 32.66 O ATOM 360 CB VAL A 35 22.634 -14.707 -0.652 1.00 36.11 C ATOM 361 CG1 VAL A 35 23.193 -14.834 0.768 1.00 37.24 C ATOM 362 CG2 VAL A 35 22.919 -13.331 -1.220 1.00 37.67 C ATOM 363 H VAL A 35 21.803 -15.568 -3.151 1.00 0.00 H ATOM 364 N ILE A 36 23.759 -17.949 -0.587 1.00 32.07 N ATOM 365 CA ILE A 36 23.479 -19.248 0.031 1.00 32.08 C ATOM 366 C ILE A 36 23.408 -19.040 1.543 1.00 33.55 C ATOM 367 O ILE A 36 24.362 -18.523 2.160 1.00 33.45 O ATOM 368 CB ILE A 36 24.559 -20.297 -0.302 1.00 31.52 C ATOM 369 CG1 ILE A 36 24.816 -20.349 -1.814 1.00 31.14 C ATOM 370 CG2 ILE A 36 24.152 -21.675 0.233 1.00 31.93 C ATOM 371 CD1 ILE A 36 23.591 -20.625 -2.683 1.00 31.28 C ATOM 372 H ILE A 36 24.746 -17.626 -0.640 1.00 0.00 H ATOM 373 N VAL A 37 22.272 -19.412 2.136 1.00 33.69 N ATOM 374 CA VAL A 37 22.055 -19.266 3.560 1.00 35.46 C ATOM 375 C VAL A 37 22.175 -20.635 4.256 1.00 36.42 C ATOM 376 O VAL A 37 21.482 -21.602 3.897 1.00 36.06 O ATOM 377 CB VAL A 37 20.689 -18.604 3.861 1.00 36.56 C ATOM 378 CG1 VAL A 37 20.502 -18.366 5.357 1.00 38.06 C ATOM 379 CG2 VAL A 37 20.557 -17.288 3.102 1.00 37.02 C ATOM 380 H VAL A 37 21.514 -19.822 1.554 1.00 0.00 H ATOM 381 N VAL A 38 23.062 -20.703 5.245 1.00 37.17 N ATOM 382 CA VAL A 38 23.248 -21.892 6.075 1.00 39.77 C ATOM 383 C VAL A 38 23.080 -21.418 7.516 1.00 42.99 C ATOM 384 O VAL A 38 23.984 -20.793 8.086 1.00 42.87 O ATOM 385 CB VAL A 38 24.626 -22.532 5.868 1.00 39.70 C ATOM 386 CG1 VAL A 38 24.737 -23.822 6.670 1.00 40.96 C ATOM 387 CG2 VAL A 38 24.878 -22.797 4.397 1.00 39.04 C ATOM 388 H VAL A 38 23.653 -19.869 5.437 1.00 0.00 H ATOM 389 N SER A 39 21.905 -21.697 8.072 1.00 46.00 N ATOM 390 CA SER A 39 21.474 -21.195 9.388 1.00 50.92 C ATOM 391 C SER A 39 21.578 -19.673 9.456 1.00 52.18 C ATOM 392 O SER A 39 20.950 -18.995 8.657 1.00 52.61 O ATOM 393 CB SER A 39 22.207 -21.912 10.519 1.00 53.57 C ATOM 394 OG SER A 39 21.844 -23.276 10.510 1.00 56.22 O ATOM 395 HG SER A 39 22.316 -23.747 11.242 1.00 0.00 H ATOM 396 H SER A 39 21.249 -22.308 7.545 1.00 0.00 H ATOM 397 N ARG A 40 22.378 -19.110 10.351 1.00 54.87 N ATOM 398 CA ARG A 40 22.450 -17.646 10.403 1.00 57.92 C ATOM 399 C ARG A 40 23.361 -17.073 9.296 1.00 54.99 C ATOM 400 O ARG A 40 23.230 -15.910 8.942 1.00 56.66 O ATOM 401 CB ARG A 40 22.864 -17.180 11.805 1.00 61.25 C ATOM 402 CG ARG A 40 21.825 -17.526 12.872 1.00 63.34 C ATOM 403 CD ARG A 40 22.338 -17.281 14.285 1.00 65.02 C ATOM 404 NE ARG A 40 21.240 -17.207 15.244 1.00 68.05 N ATOM 405 CZ ARG A 40 20.421 -16.158 15.418 1.00 70.44 C ATOM 406 NH1 ARG A 40 20.560 -15.044 14.694 1.00 70.63 N ATOM 407 NH2 ARG A 40 19.447 -16.219 16.332 1.00 71.22 N ATOM 408 HE ARG A 40 21.078 -18.040 15.845 1.00 0.00 H ATOM 409 HH12 ARG A 40 19.915 -14.242 14.844 1.00 0.00 H ATOM 410 HH11 ARG A 40 21.313 -14.978 13.980 1.00 0.00 H ATOM 411 HH22 ARG A 40 18.811 -15.408 16.469 1.00 0.00 H ATOM 412 HH21 ARG A 40 19.326 -17.078 16.906 1.00 0.00 H ATOM 413 H ARG A 40 22.942 -19.693 11.002 1.00 0.00 H ATOM 414 N GLU A 41 24.211 -17.906 8.701 1.00 51.53 N ATOM 415 CA GLU A 41 25.311 -17.425 7.860 1.00 49.43 C ATOM 416 C GLU A 41 24.927 -17.283 6.392 1.00 46.13 C ATOM 417 O GLU A 41 24.269 -18.162 5.840 1.00 45.07 O ATOM 418 CB GLU A 41 26.495 -18.379 7.966 1.00 50.78 C ATOM 419 CG GLU A 41 26.939 -18.711 9.384 1.00 54.71 C ATOM 420 CD GLU A 41 27.321 -17.487 10.200 1.00 57.47 C ATOM 421 OE1 GLU A 41 28.258 -16.768 9.786 1.00 58.98 O ATOM 422 OE2 GLU A 41 26.691 -17.264 11.263 1.00 61.58 O ATOM 423 H GLU A 41 24.091 -18.930 8.837 1.00 0.00 H ATOM 424 N GLN A 42 25.364 -16.189 5.768 1.00 43.29 N ATOM 425 CA GLN A 42 25.120 -15.899 4.368 1.00 41.56 C ATOM 426 C GLN A 42 26.431 -16.015 3.599 1.00 39.27 C ATOM 427 O GLN A 42 27.476 -15.583 4.088 1.00 38.41 O ATOM 428 CB GLN A 42 24.584 -14.478 4.215 1.00 43.56 C ATOM 429 CG GLN A 42 23.239 -14.247 4.883 1.00 46.04 C ATOM 430 CD GLN A 42 22.649 -12.876 4.584 1.00 48.22 C ATOM 431 OE1 GLN A 42 23.067 -12.186 3.659 1.00 50.55 O ATOM 432 NE2 GLN A 42 21.670 -12.477 5.374 1.00 51.23 N ATOM 433 HE22 GLN A 42 21.343 -13.090 6.148 1.00 0.00 H ATOM 434 HE21 GLN A 42 21.225 -11.549 5.223 1.00 0.00 H ATOM 435 H GLN A 42 25.914 -15.500 6.320 1.00 0.00 H ATOM 436 N PHE A 43 26.376 -16.584 2.403 1.00 35.83 N ATOM 437 CA PHE A 43 27.552 -16.707 1.529 1.00 35.17 C ATOM 438 C PHE A 43 27.201 -16.247 0.124 1.00 35.26 C ATOM 439 O PHE A 43 26.319 -16.841 -0.526 1.00 34.04 O ATOM 440 CB PHE A 43 28.018 -18.152 1.461 1.00 34.12 C ATOM 441 CG PHE A 43 28.388 -18.724 2.780 1.00 34.72 C ATOM 442 CD1 PHE A 43 27.432 -19.361 3.562 1.00 35.33 C ATOM 443 CD2 PHE A 43 29.693 -18.616 3.259 1.00 35.29 C ATOM 444 CE1 PHE A 43 27.772 -19.891 4.793 1.00 36.08 C ATOM 445 CE2 PHE A 43 30.039 -19.142 4.488 1.00 35.84 C ATOM 446 CZ PHE A 43 29.081 -19.790 5.255 1.00 36.62 C ATOM 447 H PHE A 43 25.465 -16.958 2.070 1.00 0.00 H ATOM 448 N ARG A 44 27.869 -15.195 -0.360 1.00 35.21 N ATOM 449 CA ARG A 44 27.585 -14.693 -1.702 1.00 35.42 C ATOM 450 C ARG A 44 28.424 -15.492 -2.711 1.00 33.42 C ATOM 451 O ARG A 44 29.555 -15.875 -2.424 1.00 32.24 O ATOM 452 CB ARG A 44 27.818 -13.177 -1.784 1.00 39.48 C ATOM 453 CG ARG A 44 26.889 -12.348 -0.858 1.00 43.33 C ATOM 454 CD ARG A 44 26.616 -10.918 -1.349 1.00 48.05 C ATOM 455 NE ARG A 44 26.134 -10.961 -2.743 1.00 51.28 N ATOM 456 CZ ARG A 44 24.864 -10.914 -3.163 1.00 54.93 C ATOM 457 NH1 ARG A 44 23.851 -10.707 -2.324 1.00 59.23 N ATOM 458 NH2 ARG A 44 24.605 -11.027 -4.468 1.00 55.38 N ATOM 459 HE ARG A 44 26.862 -11.036 -3.482 1.00 0.00 H ATOM 460 HH12 ARG A 44 22.876 -10.676 -2.684 1.00 0.00 H ATOM 461 HH11 ARG A 44 24.035 -10.576 -1.309 1.00 0.00 H ATOM 462 HH22 ARG A 44 23.623 -10.992 -4.808 1.00 0.00 H ATOM 463 HH21 ARG A 44 25.385 -11.150 -5.144 1.00 0.00 H ATOM 464 H ARG A 44 28.595 -14.731 0.222 1.00 0.00 H ATOM 465 N ALA A 45 27.850 -15.785 -3.871 1.00 31.49 N ATOM 466 CA ALA A 45 28.555 -16.550 -4.898 1.00 30.84 C ATOM 467 C ALA A 45 28.030 -16.315 -6.316 1.00 29.92 C ATOM 468 O ALA A 45 27.045 -15.597 -6.540 1.00 29.51 O ATOM 469 CB ALA A 45 28.534 -18.049 -4.552 1.00 30.66 C ATOM 470 H ALA A 45 26.878 -15.464 -4.053 1.00 0.00 H ATOM 471 N HIS A 46 28.713 -16.941 -7.265 1.00 29.01 N ATOM 472 CA HIS A 46 28.283 -16.985 -8.653 1.00 28.72 C ATOM 473 C HIS A 46 27.659 -18.344 -8.916 1.00 28.73 C ATOM 474 O HIS A 46 28.315 -19.383 -8.719 1.00 27.20 O ATOM 475 CB HIS A 46 29.485 -16.785 -9.564 1.00 28.90 C ATOM 476 CG HIS A 46 30.221 -15.514 -9.308 1.00 29.15 C ATOM 477 ND1 HIS A 46 31.380 -15.465 -8.569 1.00 29.13 N ATOM 478 CD2 HIS A 46 29.942 -14.238 -9.657 1.00 29.68 C ATOM 479 CE1 HIS A 46 31.802 -14.218 -8.498 1.00 29.41 C ATOM 480 NE2 HIS A 46 30.958 -13.452 -9.167 1.00 29.37 N ATOM 481 H HIS A 46 29.597 -17.423 -7.004 1.00 0.00 H ATOM 482 N LYS A 47 26.398 -18.340 -9.357 1.00 28.42 N ATOM 483 CA LYS A 47 25.706 -19.586 -9.687 1.00 29.08 C ATOM 484 C LYS A 47 26.507 -20.536 -10.573 1.00 27.68 C ATOM 485 O LYS A 47 26.537 -21.735 -10.318 1.00 27.28 O ATOM 486 CB LYS A 47 24.370 -19.294 -10.369 1.00 29.11 C ATOM 487 CG LYS A 47 23.327 -18.813 -9.410 1.00 29.90 C ATOM 488 CD LYS A 47 22.047 -18.388 -10.134 1.00 30.00 C ATOM 489 CE LYS A 47 21.106 -17.724 -9.157 1.00 30.40 C ATOM 490 NZ LYS A 47 19.768 -17.553 -9.771 1.00 30.82 N ATOM 491 HZ1 LYS A 47 19.851 -16.960 -10.621 1.00 0.00 H ATOM 492 HZ2 LYS A 47 19.386 -18.484 -10.033 1.00 0.00 H ATOM 493 HZ3 LYS A 47 19.131 -17.095 -9.088 1.00 0.00 H ATOM 494 H LYS A 47 25.899 -17.434 -9.468 1.00 0.00 H ATOM 495 N THR A 48 27.135 -20.006 -11.614 1.00 27.19 N ATOM 496 CA THR A 48 27.882 -20.850 -12.556 1.00 27.83 C ATOM 497 C THR A 48 29.039 -21.595 -11.921 1.00 26.60 C ATOM 498 O THR A 48 29.300 -22.736 -12.279 1.00 26.58 O ATOM 499 CB THR A 48 28.393 -20.064 -13.768 1.00 29.42 C ATOM 500 OG1 THR A 48 29.050 -18.906 -13.328 1.00 31.37 O ATOM 501 CG2 THR A 48 27.249 -19.656 -14.656 1.00 31.17 C ATOM 502 HG1 THR A 48 29.380 -18.398 -14.111 1.00 0.00 H ATOM 503 H THR A 48 27.098 -18.978 -11.766 1.00 0.00 H ATOM 504 N VAL A 49 29.740 -20.951 -10.994 1.00 26.22 N ATOM 505 CA VAL A 49 30.824 -21.605 -10.265 1.00 25.89 C ATOM 506 C VAL A 49 30.262 -22.709 -9.397 1.00 25.92 C ATOM 507 O VAL A 49 30.788 -23.808 -9.397 1.00 25.93 O ATOM 508 CB VAL A 49 31.637 -20.596 -9.413 1.00 25.94 C ATOM 509 CG1 VAL A 49 32.657 -21.318 -8.547 1.00 26.73 C ATOM 510 CG2 VAL A 49 32.328 -19.593 -10.328 1.00 25.99 C ATOM 511 H VAL A 49 29.512 -19.959 -10.783 1.00 0.00 H ATOM 512 N LEU A 50 29.160 -22.434 -8.694 1.00 25.70 N ATOM 513 CA LEU A 50 28.537 -23.467 -7.852 1.00 27.23 C ATOM 514 C LEU A 50 28.110 -24.703 -8.691 1.00 27.23 C ATOM 515 O LEU A 50 28.348 -25.847 -8.287 1.00 27.25 O ATOM 516 CB LEU A 50 27.318 -22.898 -7.110 1.00 27.24 C ATOM 517 CG LEU A 50 27.543 -21.706 -6.171 1.00 27.93 C ATOM 518 CD1 LEU A 50 26.251 -21.273 -5.509 1.00 28.52 C ATOM 519 CD2 LEU A 50 28.552 -22.073 -5.104 1.00 28.57 C ATOM 520 H LEU A 50 28.740 -21.484 -8.742 1.00 0.00 H ATOM 521 N MET A 51 27.514 -24.451 -9.854 1.00 28.11 N ATOM 522 CA MET A 51 27.038 -25.506 -10.749 1.00 29.26 C ATOM 523 C MET A 51 28.210 -26.300 -11.338 1.00 29.01 C ATOM 524 O MET A 51 28.092 -27.483 -11.631 1.00 28.02 O ATOM 525 CB MET A 51 26.237 -24.887 -11.898 1.00 30.67 C ATOM 526 CG MET A 51 24.955 -24.189 -11.479 1.00 31.51 C ATOM 527 SD MET A 51 24.244 -23.371 -12.904 1.00 33.03 S ATOM 528 CE MET A 51 23.457 -24.754 -13.710 1.00 33.45 C ATOM 529 H MET A 51 27.381 -23.460 -10.139 1.00 0.00 H ATOM 530 N ALA A 52 29.336 -25.613 -11.530 1.00 28.99 N ATOM 531 CA ALA A 52 30.557 -26.235 -12.024 1.00 29.44 C ATOM 532 C ALA A 52 31.293 -27.083 -10.991 1.00 30.00 C ATOM 533 O ALA A 52 32.229 -27.824 -11.371 1.00 29.87 O ATOM 534 CB ALA A 52 31.494 -25.182 -12.580 1.00 29.38 C ATOM 535 H ALA A 52 29.343 -24.595 -11.319 1.00 0.00 H ATOM 536 N CYS A 53 30.893 -26.998 -9.714 1.00 29.35 N ATOM 537 CA CYS A 53 31.555 -27.774 -8.661 1.00 30.65 C ATOM 538 C CYS A 53 30.665 -28.735 -7.884 1.00 30.43 C ATOM 539 O CYS A 53 31.189 -29.619 -7.238 1.00 30.48 O ATOM 540 CB CYS A 53 32.201 -26.847 -7.657 1.00 30.64 C ATOM 541 SG CYS A 53 33.393 -25.680 -8.334 1.00 31.50 S ATOM 542 H CYS A 53 30.101 -26.372 -9.467 1.00 0.00 H ATOM 543 N SER A 54 29.345 -28.550 -7.942 1.00 29.93 N ATOM 544 CA SER A 54 28.394 -29.275 -7.071 1.00 29.67 C ATOM 545 C SER A 54 27.240 -29.822 -7.886 1.00 29.74 C ATOM 546 O SER A 54 26.588 -29.073 -8.630 1.00 28.96 O ATOM 547 CB SER A 54 27.830 -28.308 -6.028 1.00 29.71 C ATOM 548 OG SER A 54 26.710 -28.830 -5.368 1.00 29.75 O ATOM 549 HG SER A 54 26.962 -29.668 -4.905 1.00 0.00 H ATOM 550 H SER A 54 28.968 -27.866 -8.629 1.00 0.00 H ATOM 551 N GLY A 55 26.984 -31.115 -7.753 1.00 30.30 N ATOM 552 CA GLY A 55 25.791 -31.720 -8.349 1.00 30.76 C ATOM 553 C GLY A 55 24.484 -31.160 -7.811 1.00 30.40 C ATOM 554 O GLY A 55 23.511 -31.040 -8.562 1.00 30.46 O ATOM 555 H GLY A 55 27.643 -31.712 -7.215 1.00 0.00 H ATOM 556 N LEU A 56 24.450 -30.820 -6.522 1.00 30.57 N ATOM 557 CA LEU A 56 23.245 -30.218 -5.929 1.00 31.18 C ATOM 558 C LEU A 56 22.955 -28.863 -6.533 1.00 30.30 C ATOM 559 O LEU A 56 21.815 -28.591 -6.925 1.00 29.83 O ATOM 560 CB LEU A 56 23.345 -30.085 -4.406 1.00 32.21 C ATOM 561 CG LEU A 56 22.081 -29.567 -3.703 1.00 33.42 C ATOM 562 CD1 LEU A 56 20.883 -30.486 -3.931 1.00 35.26 C ATOM 563 CD2 LEU A 56 22.304 -29.372 -2.227 1.00 34.04 C ATOM 564 H LEU A 56 25.287 -30.983 -5.927 1.00 0.00 H ATOM 565 N PHE A 57 23.963 -27.994 -6.603 1.00 29.29 N ATOM 566 CA PHE A 57 23.751 -26.673 -7.196 1.00 29.17 C ATOM 567 C PHE A 57 23.457 -26.746 -8.695 1.00 29.20 C ATOM 568 O PHE A 57 22.626 -25.985 -9.188 1.00 29.40 O ATOM 569 CB PHE A 57 24.903 -25.706 -6.871 1.00 29.16 C ATOM 570 CG PHE A 57 24.933 -25.257 -5.430 1.00 29.12 C ATOM 571 CD1 PHE A 57 23.834 -24.635 -4.860 1.00 29.93 C ATOM 572 CD2 PHE A 57 26.080 -25.420 -4.658 1.00 30.06 C ATOM 573 CE1 PHE A 57 23.870 -24.197 -3.539 1.00 30.68 C ATOM 574 CE2 PHE A 57 26.121 -24.973 -3.338 1.00 30.16 C ATOM 575 CZ PHE A 57 25.016 -24.382 -2.780 1.00 30.07 C ATOM 576 H PHE A 57 24.901 -28.255 -6.236 1.00 0.00 H ATOM 577 N TYR A 58 24.083 -27.676 -9.419 1.00 29.62 N ATOM 578 CA TYR A 58 23.683 -27.931 -10.804 1.00 30.81 C ATOM 579 C TYR A 58 22.165 -28.222 -10.910 1.00 31.75 C ATOM 580 O TYR A 58 21.461 -27.623 -11.713 1.00 31.35 O ATOM 581 CB TYR A 58 24.481 -29.082 -11.423 1.00 31.55 C ATOM 582 CG TYR A 58 23.925 -29.478 -12.770 1.00 33.02 C ATOM 583 CD1 TYR A 58 24.208 -28.743 -13.915 1.00 33.71 C ATOM 584 CD2 TYR A 58 23.065 -30.563 -12.884 1.00 34.72 C ATOM 585 CE1 TYR A 58 23.659 -29.082 -15.150 1.00 34.79 C ATOM 586 CE2 TYR A 58 22.516 -30.916 -14.107 1.00 36.47 C ATOM 587 CZ TYR A 58 22.814 -30.172 -15.233 1.00 36.56 C ATOM 588 OH TYR A 58 22.271 -30.553 -16.445 1.00 38.39 O ATOM 589 HH TYR A 58 22.569 -31.471 -16.665 1.00 0.00 H ATOM 590 H TYR A 58 24.860 -28.223 -8.997 1.00 0.00 H ATOM 591 N SER A 59 21.673 -29.121 -10.074 1.00 32.92 N ATOM 592 CA SER A 59 20.240 -29.458 -10.098 1.00 34.51 C ATOM 593 C SER A 59 19.343 -28.293 -9.723 1.00 34.89 C ATOM 594 O SER A 59 18.317 -28.053 -10.392 1.00 35.68 O ATOM 595 CB SER A 59 19.953 -30.659 -9.204 1.00 35.92 C ATOM 596 OG SER A 59 20.665 -31.757 -9.735 1.00 36.94 O ATOM 597 HG SER A 59 20.359 -31.931 -10.660 1.00 0.00 H ATOM 598 H SER A 59 22.303 -29.593 -9.395 1.00 0.00 H ATOM 599 N ILE A 60 19.726 -27.548 -8.695 1.00 33.89 N ATOM 600 CA ILE A 60 18.916 -26.422 -8.247 1.00 34.63 C ATOM 601 C ILE A 60 18.788 -25.373 -9.354 1.00 34.04 C ATOM 602 O ILE A 60 17.696 -24.909 -9.645 1.00 33.98 O ATOM 603 CB ILE A 60 19.480 -25.778 -6.957 1.00 34.50 C ATOM 604 CG1 ILE A 60 19.293 -26.728 -5.779 1.00 35.39 C ATOM 605 CG2 ILE A 60 18.798 -24.429 -6.666 1.00 35.13 C ATOM 606 CD1 ILE A 60 20.223 -26.461 -4.614 1.00 35.47 C ATOM 607 H ILE A 60 20.615 -27.770 -8.203 1.00 0.00 H ATOM 608 N PHE A 61 19.904 -25.004 -9.969 1.00 33.15 N ATOM 609 CA PHE A 61 19.903 -23.899 -10.909 1.00 33.70 C ATOM 610 C PHE A 61 19.525 -24.322 -12.324 1.00 34.07 C ATOM 611 O PHE A 61 19.448 -23.467 -13.182 1.00 35.85 O ATOM 612 CB PHE A 61 21.248 -23.127 -10.859 1.00 32.90 C ATOM 613 CG PHE A 61 21.551 -22.547 -9.498 1.00 33.11 C ATOM 614 CD1 PHE A 61 20.640 -21.707 -8.875 1.00 34.00 C ATOM 615 CD2 PHE A 61 22.714 -22.872 -8.826 1.00 33.15 C ATOM 616 CE1 PHE A 61 20.893 -21.211 -7.606 1.00 33.94 C ATOM 617 CE2 PHE A 61 22.972 -22.370 -7.570 1.00 33.33 C ATOM 618 CZ PHE A 61 22.058 -21.545 -6.957 1.00 33.29 C ATOM 619 H PHE A 61 20.790 -25.513 -9.775 1.00 0.00 H ATOM 620 N THR A 62 19.291 -25.614 -12.571 1.00 34.00 N ATOM 621 CA THR A 62 18.652 -26.065 -13.805 1.00 34.96 C ATOM 622 C THR A 62 17.154 -26.385 -13.616 1.00 36.07 C ATOM 623 O THR A 62 16.506 -26.773 -14.562 1.00 36.35 O ATOM 624 CB THR A 62 19.339 -27.302 -14.417 1.00 35.42 C ATOM 625 OG1 THR A 62 19.466 -28.323 -13.427 1.00 34.96 O ATOM 626 CG2 THR A 62 20.719 -26.928 -14.982 1.00 35.21 C ATOM 627 HG1 THR A 62 20.011 -27.984 -12.673 1.00 0.00 H ATOM 628 H THR A 62 19.573 -26.321 -11.862 1.00 0.00 H ATOM 629 N ASP A 63 16.632 -26.232 -12.406 1.00 36.09 N ATOM 630 CA ASP A 63 15.212 -26.405 -12.142 1.00 38.11 C ATOM 631 C ASP A 63 14.488 -25.132 -12.588 1.00 39.32 C ATOM 632 O ASP A 63 14.845 -24.036 -12.141 1.00 37.00 O ATOM 633 CB ASP A 63 14.988 -26.639 -10.662 1.00 38.22 C ATOM 634 CG ASP A 63 13.524 -26.806 -10.320 1.00 40.72 C ATOM 635 OD1 ASP A 63 13.054 -27.942 -10.404 1.00 42.64 O ATOM 636 OD2 ASP A 63 12.847 -25.806 -9.998 1.00 40.49 O ATOM 637 H ASP A 63 17.261 -25.979 -11.617 1.00 0.00 H ATOM 638 N GLN A 64 13.444 -25.292 -13.409 1.00 41.92 N ATOM 639 CA GLN A 64 12.724 -24.151 -13.978 1.00 44.57 C ATOM 640 C GLN A 64 12.158 -23.213 -12.910 1.00 44.04 C ATOM 641 O GLN A 64 12.119 -22.010 -13.120 1.00 44.61 O ATOM 642 CB GLN A 64 11.609 -24.612 -14.908 1.00 48.31 C ATOM 643 CG GLN A 64 12.080 -25.308 -16.176 1.00 51.04 C ATOM 644 CD GLN A 64 10.962 -26.057 -16.910 1.00 55.01 C ATOM 645 OE1 GLN A 64 11.234 -26.990 -17.667 1.00 58.01 O ATOM 646 NE2 GLN A 64 9.699 -25.647 -16.697 1.00 56.70 N ATOM 647 HE22 GLN A 64 9.512 -24.855 -16.050 1.00 0.00 H ATOM 648 HE21 GLN A 64 8.910 -26.122 -17.180 1.00 0.00 H ATOM 649 H GLN A 64 13.135 -26.255 -13.650 1.00 0.00 H ATOM 650 N LEU A 65 11.758 -23.746 -11.756 1.00 43.68 N ATOM 651 CA LEU A 65 11.237 -22.901 -10.684 1.00 43.92 C ATOM 652 C LEU A 65 12.339 -22.189 -9.917 1.00 42.84 C ATOM 653 O LEU A 65 12.183 -21.039 -9.528 1.00 43.93 O ATOM 654 CB LEU A 65 10.392 -23.715 -9.702 1.00 44.96 C ATOM 655 CG LEU A 65 9.675 -22.917 -8.607 1.00 46.61 C ATOM 656 CD1 LEU A 65 8.679 -21.932 -9.201 1.00 47.39 C ATOM 657 CD2 LEU A 65 8.978 -23.865 -7.637 1.00 48.20 C ATOM 658 H LEU A 65 11.817 -24.775 -11.617 1.00 0.00 H ATOM 659 N LYS A 66 13.431 -22.891 -9.659 1.00 40.36 N ATOM 660 CA LYS A 66 14.443 -22.408 -8.733 1.00 39.44 C ATOM 661 C LYS A 66 15.586 -21.643 -9.408 1.00 38.60 C ATOM 662 O LYS A 66 16.332 -20.974 -8.719 1.00 37.20 O ATOM 663 CB LYS A 66 15.022 -23.573 -7.936 1.00 39.25 C ATOM 664 CG LYS A 66 14.015 -24.185 -6.978 1.00 40.24 C ATOM 665 CD LYS A 66 14.384 -25.583 -6.525 1.00 39.67 C ATOM 666 CE LYS A 66 13.160 -26.204 -5.859 1.00 40.81 C ATOM 667 NZ LYS A 66 13.417 -27.580 -5.403 1.00 40.79 N ATOM 668 HZ1 LYS A 66 13.678 -28.171 -6.218 1.00 0.00 H ATOM 669 HZ2 LYS A 66 14.195 -27.576 -4.713 1.00 0.00 H ATOM 670 HZ3 LYS A 66 12.559 -27.962 -4.957 1.00 0.00 H ATOM 671 H LYS A 66 13.568 -23.809 -10.129 1.00 0.00 H ATOM 672 N CYS A 67 15.710 -21.731 -10.730 1.00 39.68 N ATOM 673 CA CYS A 67 16.894 -21.204 -11.428 1.00 40.47 C ATOM 674 C CYS A 67 17.060 -19.685 -11.290 1.00 41.46 C ATOM 675 O CYS A 67 18.190 -19.193 -11.279 1.00 40.26 O ATOM 676 CB CYS A 67 16.901 -21.614 -12.905 1.00 40.17 C ATOM 677 SG CYS A 67 15.562 -20.896 -13.874 1.00 45.56 S ATOM 678 H CYS A 67 14.953 -22.182 -11.283 1.00 0.00 H ATOM 679 N ASN A 68 15.953 -18.965 -11.139 1.00 43.41 N ATOM 680 CA ASN A 68 15.971 -17.493 -10.972 1.00 47.43 C ATOM 681 C ASN A 68 16.010 -16.974 -9.543 1.00 46.88 C ATOM 682 O ASN A 68 16.004 -15.756 -9.340 1.00 49.40 O ATOM 683 CB ASN A 68 14.728 -16.873 -11.627 1.00 50.74 C ATOM 684 CG ASN A 68 14.690 -17.108 -13.099 1.00 53.18 C ATOM 685 OD1 ASN A 68 15.710 -16.999 -13.778 1.00 56.53 O ATOM 686 ND2 ASN A 68 13.518 -17.448 -13.609 1.00 56.90 N ATOM 687 HD22 ASN A 68 12.685 -17.526 -12.991 1.00 0.00 H ATOM 688 HD21 ASN A 68 13.429 -17.637 -14.628 1.00 0.00 H ATOM 689 H ASN A 68 15.036 -19.455 -11.138 1.00 0.00 H ATOM 690 N LEU A 69 16.016 -17.859 -8.556 1.00 44.72 N ATOM 691 CA LEU A 69 16.017 -17.418 -7.165 1.00 43.27 C ATOM 692 C LEU A 69 17.363 -16.773 -6.861 1.00 41.31 C ATOM 693 O LEU A 69 18.390 -17.279 -7.303 1.00 39.80 O ATOM 694 CB LEU A 69 15.800 -18.591 -6.226 1.00 43.23 C ATOM 695 CG LEU A 69 14.493 -19.357 -6.361 1.00 44.94 C ATOM 696 CD1 LEU A 69 14.472 -20.517 -5.390 1.00 44.90 C ATOM 697 CD2 LEU A 69 13.303 -18.439 -6.121 1.00 47.06 C ATOM 698 H LEU A 69 16.020 -18.876 -8.775 1.00 0.00 H ATOM 699 N SER A 70 17.349 -15.664 -6.124 1.00 40.96 N ATOM 700 CA SER A 70 18.597 -14.998 -5.696 1.00 41.92 C ATOM 701 C SER A 70 19.058 -15.380 -4.276 1.00 40.54 C ATOM 702 O SER A 70 20.096 -14.918 -3.816 1.00 41.05 O ATOM 703 CB SER A 70 18.456 -13.477 -5.849 1.00 42.91 C ATOM 704 OG SER A 70 17.359 -13.029 -5.106 1.00 46.32 O ATOM 705 HG SER A 70 17.272 -12.048 -5.207 1.00 0.00 H ATOM 706 H SER A 70 16.435 -15.255 -5.842 1.00 0.00 H ATOM 707 N VAL A 71 18.286 -16.224 -3.597 1.00 40.14 N ATOM 708 CA VAL A 71 18.588 -16.718 -2.263 1.00 39.43 C ATOM 709 C VAL A 71 18.199 -18.204 -2.219 1.00 39.16 C ATOM 710 O VAL A 71 17.088 -18.592 -2.629 1.00 38.07 O ATOM 711 CB VAL A 71 17.816 -15.957 -1.154 1.00 41.70 C ATOM 712 CG1 VAL A 71 18.255 -16.423 0.240 1.00 41.89 C ATOM 713 CG2 VAL A 71 18.016 -14.452 -1.292 1.00 42.46 C ATOM 714 H VAL A 71 17.409 -16.552 -4.050 1.00 0.00 H ATOM 715 N ILE A 72 19.126 -19.028 -1.747 1.00 37.42 N ATOM 716 CA ILE A 72 18.885 -20.448 -1.557 1.00 36.96 C ATOM 717 C ILE A 72 19.183 -20.764 -0.109 1.00 37.60 C ATOM 718 O ILE A 72 20.288 -20.458 0.400 1.00 35.14 O ATOM 719 CB ILE A 72 19.765 -21.332 -2.474 1.00 35.64 C ATOM 720 CG1 ILE A 72 19.513 -21.040 -3.951 1.00 35.37 C ATOM 721 CG2 ILE A 72 19.527 -22.807 -2.176 1.00 36.76 C ATOM 722 CD1 ILE A 72 18.113 -21.333 -4.486 1.00 36.26 C ATOM 723 H ILE A 72 20.061 -18.642 -1.504 1.00 0.00 H ATOM 724 N ASN A 73 18.208 -21.402 0.545 1.00 37.99 N ATOM 725 CA ASN A 73 18.358 -21.825 1.931 1.00 39.97 C ATOM 726 C ASN A 73 18.714 -23.280 1.995 1.00 39.03 C ATOM 727 O ASN A 73 17.974 -24.103 1.495 1.00 40.26 O ATOM 728 CB ASN A 73 17.093 -21.559 2.736 1.00 43.61 C ATOM 729 CG ASN A 73 17.307 -20.491 3.748 1.00 47.57 C ATOM 730 OD1 ASN A 73 17.928 -20.732 4.801 1.00 50.83 O ATOM 731 ND2 ASN A 73 16.860 -19.276 3.426 1.00 50.33 N ATOM 732 HD22 ASN A 73 16.347 -19.130 2.533 1.00 0.00 H ATOM 733 HD21 ASN A 73 17.025 -18.474 4.068 1.00 0.00 H ATOM 734 H ASN A 73 17.316 -21.603 0.050 1.00 0.00 H ATOM 735 N LEU A 74 19.853 -23.604 2.591 1.00 37.07 N ATOM 736 CA LEU A 74 20.234 -24.990 2.740 1.00 37.33 C ATOM 737 C LEU A 74 19.703 -25.540 4.062 1.00 37.41 C ATOM 738 O LEU A 74 19.254 -24.790 4.936 1.00 36.57 O ATOM 739 CB LEU A 74 21.742 -25.155 2.657 1.00 38.09 C ATOM 740 CG LEU A 74 22.405 -24.672 1.351 1.00 38.04 C ATOM 741 CD1 LEU A 74 23.848 -25.094 1.364 1.00 37.93 C ATOM 742 CD2 LEU A 74 21.732 -25.191 0.097 1.00 38.53 C ATOM 743 H LEU A 74 20.477 -22.855 2.954 1.00 0.00 H ATOM 744 N ASP A 75 19.739 -26.860 4.169 1.00 37.60 N ATOM 745 CA ASP A 75 19.397 -27.569 5.397 1.00 39.61 C ATOM 746 C ASP A 75 20.073 -26.847 6.597 1.00 40.41 C ATOM 747 O ASP A 75 21.307 -26.721 6.606 1.00 37.97 O ATOM 748 CB ASP A 75 19.856 -29.029 5.286 1.00 40.08 C ATOM 749 CG ASP A 75 19.345 -29.913 6.419 1.00 42.61 C ATOM 750 OD1 ASP A 75 19.123 -29.423 7.546 1.00 43.25 O ATOM 751 OD2 ASP A 75 19.179 -31.119 6.156 1.00 42.93 O ATOM 752 H ASP A 75 20.025 -27.417 3.338 1.00 0.00 H ATOM 753 N PRO A 76 19.269 -26.364 7.579 1.00 42.05 N ATOM 754 CA PRO A 76 19.833 -25.660 8.749 1.00 43.34 C ATOM 755 C PRO A 76 20.776 -26.485 9.650 1.00 44.08 C ATOM 756 O PRO A 76 21.453 -25.902 10.490 1.00 43.89 O ATOM 757 CB PRO A 76 18.584 -25.201 9.538 1.00 44.28 C ATOM 758 CG PRO A 76 17.472 -26.079 9.060 1.00 44.33 C ATOM 759 CD PRO A 76 17.782 -26.328 7.607 1.00 43.16 C ATOM 760 N GLU A 77 20.801 -27.803 9.468 1.00 44.35 N ATOM 761 CA GLU A 77 21.751 -28.668 10.127 1.00 45.99 C ATOM 762 C GLU A 77 23.096 -28.802 9.427 1.00 44.10 C ATOM 763 O GLU A 77 23.960 -29.495 9.950 1.00 44.43 O ATOM 764 CB GLU A 77 21.151 -30.050 10.302 1.00 49.13 C ATOM 765 CG GLU A 77 20.008 -30.049 11.296 1.00 52.39 C ATOM 766 CD GLU A 77 19.425 -31.425 11.497 1.00 55.64 C ATOM 767 OE1 GLU A 77 20.179 -32.416 11.348 1.00 59.60 O ATOM 768 OE2 GLU A 77 18.214 -31.511 11.796 1.00 56.95 O ATOM 769 H GLU A 77 20.106 -28.229 8.823 1.00 0.00 H ATOM 770 N ILE A 78 23.277 -28.178 8.260 1.00 41.42 N ATOM 771 CA ILE A 78 24.587 -28.112 7.615 1.00 40.21 C ATOM 772 C ILE A 78 25.450 -27.190 8.456 1.00 39.06 C ATOM 773 O ILE A 78 25.017 -26.102 8.857 1.00 37.60 O ATOM 774 CB ILE A 78 24.514 -27.574 6.156 1.00 39.98 C ATOM 775 CG1 ILE A 78 23.778 -28.559 5.243 1.00 41.26 C ATOM 776 CG2 ILE A 78 25.903 -27.298 5.576 1.00 39.27 C ATOM 777 CD1 ILE A 78 24.376 -29.963 5.197 1.00 43.44 C ATOM 778 H ILE A 78 22.463 -27.726 7.797 1.00 0.00 H ATOM 779 N ASN A 79 26.679 -27.633 8.710 1.00 38.38 N ATOM 780 CA ASN A 79 27.625 -26.863 9.488 1.00 38.28 C ATOM 781 C ASN A 79 28.143 -25.692 8.616 1.00 36.52 C ATOM 782 O ASN A 79 28.705 -25.923 7.537 1.00 34.06 O ATOM 783 CB ASN A 79 28.737 -27.786 9.966 1.00 39.38 C ATOM 784 CG ASN A 79 29.820 -27.060 10.738 1.00 41.62 C ATOM 785 OD1 ASN A 79 30.883 -26.761 10.190 1.00 40.58 O ATOM 786 ND2 ASN A 79 29.565 -26.787 12.012 1.00 43.05 N ATOM 787 HD22 ASN A 79 28.652 -27.060 12.430 1.00 0.00 H ATOM 788 HD21 ASN A 79 30.278 -26.301 12.592 1.00 0.00 H ATOM 789 H ASN A 79 26.968 -28.560 8.338 1.00 0.00 H ATOM 790 N PRO A 80 27.932 -24.436 9.067 1.00 36.80 N ATOM 791 CA PRO A 80 28.368 -23.298 8.246 1.00 36.58 C ATOM 792 C PRO A 80 29.868 -23.295 7.935 1.00 36.58 C ATOM 793 O PRO A 80 30.256 -22.855 6.852 1.00 35.40 O ATOM 794 CB PRO A 80 27.999 -22.058 9.083 1.00 37.69 C ATOM 795 CG PRO A 80 27.074 -22.519 10.151 1.00 38.74 C ATOM 796 CD PRO A 80 27.220 -24.010 10.294 1.00 38.46 C ATOM 797 N GLU A 81 30.693 -23.757 8.871 1.00 37.15 N ATOM 798 CA GLU A 81 32.134 -23.795 8.638 1.00 37.95 C ATOM 799 C GLU A 81 32.460 -24.809 7.522 1.00 35.80 C ATOM 800 O GLU A 81 33.247 -24.503 6.649 1.00 34.35 O ATOM 801 CB GLU A 81 32.935 -24.088 9.913 1.00 40.47 C ATOM 802 CG GLU A 81 34.409 -23.729 9.747 1.00 43.18 C ATOM 803 CD GLU A 81 35.326 -24.277 10.833 1.00 47.51 C ATOM 804 OE1 GLU A 81 34.951 -25.206 11.590 1.00 50.33 O ATOM 805 OE2 GLU A 81 36.468 -23.779 10.910 1.00 50.54 O ATOM 806 H GLU A 81 30.308 -24.094 9.777 1.00 0.00 H ATOM 807 N GLY A 82 31.816 -25.981 7.545 1.00 35.58 N ATOM 808 CA GLY A 82 31.956 -26.991 6.486 1.00 34.51 C ATOM 809 C GLY A 82 31.619 -26.423 5.113 1.00 33.32 C ATOM 810 O GLY A 82 32.361 -26.629 4.134 1.00 32.40 O ATOM 811 H GLY A 82 31.188 -26.187 8.348 1.00 0.00 H ATOM 812 N PHE A 83 30.533 -25.664 5.045 1.00 32.45 N ATOM 813 CA PHE A 83 30.137 -25.028 3.794 1.00 32.50 C ATOM 814 C PHE A 83 31.153 -23.983 3.332 1.00 32.25 C ATOM 815 O PHE A 83 31.531 -23.944 2.168 1.00 31.30 O ATOM 816 CB PHE A 83 28.751 -24.374 3.881 1.00 32.56 C ATOM 817 CG PHE A 83 28.287 -23.874 2.556 1.00 32.09 C ATOM 818 CD1 PHE A 83 27.804 -24.764 1.615 1.00 32.06 C ATOM 819 CD2 PHE A 83 28.441 -22.546 2.199 1.00 31.67 C ATOM 820 CE1 PHE A 83 27.435 -24.329 0.356 1.00 31.64 C ATOM 821 CE2 PHE A 83 28.078 -22.105 0.932 1.00 31.11 C ATOM 822 CZ PHE A 83 27.573 -22.992 0.016 1.00 31.40 C ATOM 823 H PHE A 83 29.955 -25.520 5.898 1.00 0.00 H ATOM 824 N CYS A 84 31.593 -23.145 4.264 1.00 33.85 N ATOM 825 CA CYS A 84 32.610 -22.125 3.984 1.00 34.50 C ATOM 826 C CYS A 84 33.901 -22.713 3.405 1.00 33.53 C ATOM 827 O CYS A 84 34.443 -22.213 2.417 1.00 32.21 O ATOM 828 CB CYS A 84 32.919 -21.340 5.249 1.00 36.33 C ATOM 829 SG CYS A 84 34.020 -19.940 4.950 1.00 39.51 S ATOM 830 H CYS A 84 31.203 -23.214 5.226 1.00 0.00 H ATOM 831 N ILE A 85 34.374 -23.781 4.030 1.00 33.23 N ATOM 832 CA ILE A 85 35.535 -24.538 3.544 1.00 33.10 C ATOM 833 C ILE A 85 35.319 -25.063 2.116 1.00 31.49 C ATOM 834 O ILE A 85 36.210 -24.945 1.270 1.00 30.28 O ATOM 835 CB ILE A 85 35.891 -25.699 4.525 1.00 34.36 C ATOM 836 CG1 ILE A 85 36.511 -25.126 5.807 1.00 36.03 C ATOM 837 CG2 ILE A 85 36.829 -26.728 3.889 1.00 34.56 C ATOM 838 CD1 ILE A 85 36.531 -26.086 6.981 1.00 37.46 C ATOM 839 H ILE A 85 33.903 -24.097 4.902 1.00 0.00 H ATOM 840 N LEU A 86 34.169 -25.677 1.852 1.00 30.70 N ATOM 841 CA LEU A 86 33.875 -26.186 0.510 1.00 30.42 C ATOM 842 C LEU A 86 33.732 -25.072 -0.546 1.00 29.56 C ATOM 843 O LEU A 86 34.236 -25.221 -1.657 1.00 28.11 O ATOM 844 CB LEU A 86 32.660 -27.105 0.515 1.00 31.58 C ATOM 845 CG LEU A 86 32.942 -28.445 1.194 1.00 33.28 C ATOM 846 CD1 LEU A 86 31.661 -29.203 1.445 1.00 34.53 C ATOM 847 CD2 LEU A 86 33.911 -29.283 0.371 1.00 34.10 C ATOM 848 H LEU A 86 33.467 -25.798 2.610 1.00 0.00 H ATOM 849 N LEU A 87 33.090 -23.961 -0.185 1.00 29.68 N ATOM 850 CA LEU A 87 32.986 -22.797 -1.079 1.00 29.98 C ATOM 851 C LEU A 87 34.362 -22.226 -1.439 1.00 30.18 C ATOM 852 O LEU A 87 34.604 -21.885 -2.591 1.00 28.76 O ATOM 853 CB LEU A 87 32.117 -21.712 -0.451 1.00 30.54 C ATOM 854 CG LEU A 87 31.771 -20.501 -1.324 1.00 30.75 C ATOM 855 CD1 LEU A 87 31.028 -20.934 -2.570 1.00 30.96 C ATOM 856 CD2 LEU A 87 30.960 -19.496 -0.522 1.00 31.71 C ATOM 857 H LEU A 87 32.650 -23.916 0.756 1.00 0.00 H ATOM 858 N ASP A 88 35.249 -22.123 -0.450 1.00 32.18 N ATOM 859 CA ASP A 88 36.599 -21.624 -0.676 1.00 33.16 C ATOM 860 C ASP A 88 37.340 -22.599 -1.589 1.00 31.47 C ATOM 861 O ASP A 88 38.057 -22.181 -2.487 1.00 30.51 O ATOM 862 CB ASP A 88 37.368 -21.450 0.633 1.00 36.14 C ATOM 863 CG ASP A 88 37.069 -20.132 1.346 1.00 39.73 C ATOM 864 OD1 ASP A 88 36.569 -19.163 0.723 1.00 42.66 O ATOM 865 OD2 ASP A 88 37.388 -20.055 2.554 1.00 43.16 O ATOM 866 H ASP A 88 34.970 -22.407 0.511 1.00 0.00 H ATOM 867 N PHE A 89 37.133 -23.895 -1.355 1.00 30.30 N ATOM 868 CA PHE A 89 37.660 -24.937 -2.227 1.00 29.35 C ATOM 869 C PHE A 89 37.203 -24.737 -3.673 1.00 28.20 C ATOM 870 O PHE A 89 38.016 -24.785 -4.591 1.00 27.65 O ATOM 871 CB PHE A 89 37.290 -26.352 -1.733 1.00 28.81 C ATOM 872 CG PHE A 89 37.544 -27.408 -2.752 1.00 29.13 C ATOM 873 CD1 PHE A 89 38.852 -27.776 -3.065 1.00 29.81 C ATOM 874 CD2 PHE A 89 36.511 -27.971 -3.467 1.00 28.95 C ATOM 875 CE1 PHE A 89 39.096 -28.708 -4.074 1.00 29.72 C ATOM 876 CE2 PHE A 89 36.748 -28.908 -4.448 1.00 29.54 C ATOM 877 CZ PHE A 89 38.047 -29.276 -4.754 1.00 29.40 C ATOM 878 H PHE A 89 36.576 -24.172 -0.521 1.00 0.00 H ATOM 879 N MET A 90 35.909 -24.502 -3.875 1.00 27.52 N ATOM 880 CA MET A 90 35.376 -24.307 -5.216 1.00 27.53 C ATOM 881 C MET A 90 36.121 -23.187 -5.959 1.00 26.88 C ATOM 882 O MET A 90 36.446 -23.325 -7.125 1.00 26.53 O ATOM 883 CB MET A 90 33.876 -23.970 -5.164 1.00 27.83 C ATOM 884 CG MET A 90 32.973 -25.109 -4.700 1.00 28.57 C ATOM 885 SD MET A 90 31.274 -24.507 -4.732 1.00 30.07 S ATOM 886 CE MET A 90 30.444 -25.769 -3.788 1.00 31.13 C ATOM 887 H MET A 90 35.266 -24.457 -3.059 1.00 0.00 H ATOM 888 N TYR A 91 36.418 -22.105 -5.247 1.00 26.69 N ATOM 889 CA TYR A 91 37.036 -20.918 -5.843 1.00 26.68 C ATOM 890 C TYR A 91 38.562 -20.901 -5.804 1.00 27.90 C ATOM 891 O TYR A 91 39.170 -19.977 -6.360 1.00 27.80 O ATOM 892 CB TYR A 91 36.479 -19.677 -5.161 1.00 26.92 C ATOM 893 CG TYR A 91 35.142 -19.192 -5.677 1.00 26.40 C ATOM 894 CD1 TYR A 91 35.080 -18.256 -6.696 1.00 25.97 C ATOM 895 CD2 TYR A 91 33.932 -19.624 -5.103 1.00 27.01 C ATOM 896 CE1 TYR A 91 33.869 -17.768 -7.163 1.00 25.76 C ATOM 897 CE2 TYR A 91 32.710 -19.149 -5.571 1.00 26.69 C ATOM 898 CZ TYR A 91 32.696 -18.218 -6.592 1.00 26.28 C ATOM 899 OH TYR A 91 31.527 -17.710 -7.034 1.00 25.72 O ATOM 900 HH TYR A 91 31.704 -17.063 -7.762 1.00 0.00 H ATOM 901 H TYR A 91 36.204 -22.101 -4.229 1.00 0.00 H ATOM 902 N THR A 92 39.191 -21.920 -5.210 1.00 28.08 N ATOM 903 CA THR A 92 40.648 -21.951 -5.056 1.00 29.43 C ATOM 904 C THR A 92 41.375 -23.271 -5.377 1.00 30.08 C ATOM 905 O THR A 92 42.573 -23.236 -5.520 1.00 29.00 O ATOM 906 CB THR A 92 41.079 -21.579 -3.617 1.00 30.37 C ATOM 907 OG1 THR A 92 40.631 -22.592 -2.699 1.00 29.49 O ATOM 908 CG2 THR A 92 40.526 -20.206 -3.215 1.00 30.64 C ATOM 909 HG1 THR A 92 39.644 -22.659 -2.739 1.00 0.00 H ATOM 910 H THR A 92 38.629 -22.716 -4.846 1.00 0.00 H ATOM 911 N SER A 93 40.677 -24.407 -5.443 1.00 29.67 N ATOM 912 CA SER A 93 41.324 -25.746 -5.447 1.00 31.26 C ATOM 913 C SER A 93 41.943 -26.207 -4.123 1.00 31.39 C ATOM 914 O SER A 93 42.485 -27.308 -4.076 1.00 31.89 O ATOM 915 CB SER A 93 42.403 -25.880 -6.539 1.00 32.39 C ATOM 916 OG SER A 93 41.972 -25.330 -7.766 1.00 33.97 O ATOM 917 HG SER A 93 42.688 -25.433 -8.442 1.00 0.00 H ATOM 918 H SER A 93 39.640 -24.353 -5.494 1.00 0.00 H ATOM 919 N ARG A 94 41.886 -25.394 -3.074 1.00 32.35 N ATOM 920 CA ARG A 94 42.516 -25.711 -1.810 1.00 34.67 C ATOM 921 C ARG A 94 41.438 -26.095 -0.819 1.00 33.69 C ATOM 922 O ARG A 94 40.474 -25.342 -0.641 1.00 33.01 O ATOM 923 CB ARG A 94 43.280 -24.506 -1.263 1.00 37.74 C ATOM 924 CG ARG A 94 44.447 -24.117 -2.109 1.00 41.31 C ATOM 925 CD ARG A 94 44.985 -22.763 -1.691 1.00 45.54 C ATOM 926 NE ARG A 94 46.173 -22.510 -2.474 1.00 49.88 N ATOM 927 CZ ARG A 94 46.200 -22.061 -3.736 1.00 54.07 C ATOM 928 NH1 ARG A 94 45.083 -21.742 -4.416 1.00 55.26 N ATOM 929 NH2 ARG A 94 47.382 -21.907 -4.337 1.00 56.55 N ATOM 930 HE ARG A 94 47.089 -22.693 -2.017 1.00 0.00 H ATOM 931 HH12 ARG A 94 45.151 -21.397 -5.395 1.00 0.00 H ATOM 932 HH11 ARG A 94 44.152 -21.841 -3.963 1.00 0.00 H ATOM 933 HH22 ARG A 94 47.426 -21.560 -5.316 1.00 0.00 H ATOM 934 HH21 ARG A 94 48.259 -22.134 -3.826 1.00 0.00 H ATOM 935 H ARG A 94 41.369 -24.496 -3.164 1.00 0.00 H ATOM 936 N LEU A 95 41.606 -27.254 -0.187 1.00 33.25 N ATOM 937 CA LEU A 95 40.665 -27.780 0.803 1.00 34.01 C ATOM 938 C LEU A 95 41.345 -27.774 2.167 1.00 35.34 C ATOM 939 O LEU A 95 42.372 -28.467 2.368 1.00 35.13 O ATOM 940 CB LEU A 95 40.237 -29.188 0.418 1.00 33.77 C ATOM 941 CG LEU A 95 39.156 -29.865 1.250 1.00 34.38 C ATOM 942 CD1 LEU A 95 37.797 -29.169 1.083 1.00 33.77 C ATOM 943 CD2 LEU A 95 39.062 -31.341 0.869 1.00 34.80 C ATOM 944 H LEU A 95 42.452 -27.817 -0.409 1.00 0.00 H ATOM 945 N ASN A 96 40.799 -26.966 3.079 1.00 35.78 N ATOM 946 CA ASN A 96 41.338 -26.804 4.421 1.00 38.46 C ATOM 947 C ASN A 96 40.811 -27.921 5.332 1.00 39.42 C ATOM 948 O ASN A 96 39.932 -27.710 6.157 1.00 39.51 O ATOM 949 CB ASN A 96 40.984 -25.415 4.973 1.00 39.66 C ATOM 950 CG ASN A 96 41.532 -25.183 6.372 1.00 42.40 C ATOM 951 OD1 ASN A 96 42.503 -25.808 6.790 1.00 44.43 O ATOM 952 ND2 ASN A 96 40.880 -24.307 7.114 1.00 43.61 N ATOM 953 HD22 ASN A 96 40.062 -23.799 6.721 1.00 0.00 H ATOM 954 HD21 ASN A 96 41.184 -24.125 8.092 1.00 0.00 H ATOM 955 H ASN A 96 39.949 -26.427 2.818 1.00 0.00 H ATOM 956 N LEU A 97 41.357 -29.113 5.139 1.00 40.05 N ATOM 957 CA LEU A 97 40.895 -30.325 5.818 1.00 41.54 C ATOM 958 C LEU A 97 41.728 -30.511 7.094 1.00 42.95 C ATOM 959 O LEU A 97 42.965 -30.555 7.035 1.00 40.35 O ATOM 960 CB LEU A 97 41.061 -31.507 4.863 1.00 42.16 C ATOM 961 CG LEU A 97 40.240 -32.773 4.984 1.00 43.31 C ATOM 962 CD1 LEU A 97 38.755 -32.443 4.965 1.00 43.27 C ATOM 963 CD2 LEU A 97 40.609 -33.706 3.835 1.00 43.82 C ATOM 964 H LEU A 97 42.152 -29.191 4.473 1.00 0.00 H ATOM 965 N ARG A 98 41.046 -30.577 8.233 1.00 43.73 N ATOM 966 CA ARG A 98 41.673 -30.695 9.556 1.00 47.05 C ATOM 967 C ARG A 98 40.927 -31.731 10.373 1.00 47.07 C ATOM 968 O ARG A 98 39.756 -32.018 10.080 1.00 44.59 O ATOM 969 CB ARG A 98 41.618 -29.352 10.284 1.00 50.06 C ATOM 970 CG ARG A 98 42.386 -28.283 9.550 1.00 52.94 C ATOM 971 CD ARG A 98 42.464 -26.955 10.274 1.00 56.42 C ATOM 972 NE ARG A 98 43.583 -26.199 9.695 1.00 60.90 N ATOM 973 CZ ARG A 98 43.666 -24.873 9.563 1.00 64.21 C ATOM 974 NH1 ARG A 98 44.755 -24.348 8.991 1.00 65.96 N ATOM 975 NH2 ARG A 98 42.691 -24.061 9.983 1.00 66.60 N ATOM 976 HE ARG A 98 44.394 -26.754 9.353 1.00 0.00 H ATOM 977 HH12 ARG A 98 44.838 -23.317 8.879 1.00 0.00 H ATOM 978 HH11 ARG A 98 45.519 -24.970 8.658 1.00 0.00 H ATOM 979 HH22 ARG A 98 42.785 -23.032 9.866 1.00 0.00 H ATOM 980 HH21 ARG A 98 41.838 -24.458 10.427 1.00 0.00 H ATOM 981 H ARG A 98 40.008 -30.543 8.185 1.00 0.00 H ATOM 982 N GLU A 99 41.585 -32.258 11.407 1.00 47.02 N ATOM 983 CA GLU A 99 40.959 -33.211 12.327 1.00 48.56 C ATOM 984 C GLU A 99 39.601 -32.726 12.808 1.00 46.44 C ATOM 985 O GLU A 99 38.622 -33.466 12.734 1.00 45.52 O ATOM 986 CB GLU A 99 41.841 -33.473 13.555 1.00 52.30 C ATOM 987 CG GLU A 99 41.306 -34.548 14.518 1.00 56.20 C ATOM 988 CD GLU A 99 41.324 -35.970 13.945 1.00 59.39 C ATOM 989 OE1 GLU A 99 41.996 -36.221 12.916 1.00 62.93 O ATOM 990 OE2 GLU A 99 40.678 -36.865 14.540 1.00 64.77 O ATOM 991 H GLU A 99 42.575 -31.983 11.565 1.00 0.00 H ATOM 992 N GLY A 100 39.554 -31.490 13.294 1.00 45.23 N ATOM 993 CA GLY A 100 38.320 -30.903 13.834 1.00 45.54 C ATOM 994 C GLY A 100 37.207 -30.500 12.853 1.00 44.33 C ATOM 995 O GLY A 100 36.100 -30.161 13.298 1.00 45.67 O ATOM 996 H GLY A 100 40.422 -30.917 13.292 1.00 0.00 H ATOM 997 N ASN A 101 37.466 -30.507 11.543 1.00 41.63 N ATOM 998 CA ASN A 101 36.404 -30.217 10.567 1.00 40.45 C ATOM 999 C ASN A 101 36.092 -31.351 9.598 1.00 40.03 C ATOM 1000 O ASN A 101 35.100 -31.254 8.891 1.00 38.99 O ATOM 1001 CB ASN A 101 36.681 -28.913 9.786 1.00 39.27 C ATOM 1002 CG ASN A 101 37.934 -28.975 8.908 1.00 38.76 C ATOM 1003 OD1 ASN A 101 38.281 -30.015 8.334 1.00 37.77 O ATOM 1004 ND2 ASN A 101 38.611 -27.846 8.787 1.00 38.67 N ATOM 1005 HD22 ASN A 101 38.290 -26.991 9.284 1.00 0.00 H ATOM 1006 HD21 ASN A 101 39.465 -27.813 8.194 1.00 0.00 H ATOM 1007 H ASN A 101 38.428 -30.720 11.209 1.00 0.00 H ATOM 1008 N ILE A 102 36.909 -32.408 9.547 1.00 39.90 N ATOM 1009 CA ILE A 102 36.778 -33.384 8.461 1.00 40.07 C ATOM 1010 C ILE A 102 35.371 -34.000 8.343 1.00 40.14 C ATOM 1011 O ILE A 102 34.854 -34.152 7.233 1.00 38.07 O ATOM 1012 CB ILE A 102 37.882 -34.465 8.480 1.00 41.69 C ATOM 1013 CG1 ILE A 102 37.784 -35.335 7.222 1.00 41.95 C ATOM 1014 CG2 ILE A 102 37.840 -35.340 9.731 1.00 42.95 C ATOM 1015 CD1 ILE A 102 39.085 -36.033 6.884 1.00 42.51 C ATOM 1016 H ILE A 102 37.638 -32.538 10.278 1.00 0.00 H ATOM 1017 N MET A 103 34.759 -34.336 9.473 1.00 41.72 N ATOM 1018 CA MET A 103 33.427 -34.936 9.459 1.00 42.51 C ATOM 1019 C MET A 103 32.367 -33.962 8.917 1.00 40.83 C ATOM 1020 O MET A 103 31.544 -34.362 8.113 1.00 40.13 O ATOM 1021 CB MET A 103 33.034 -35.484 10.835 1.00 45.28 C ATOM 1022 CG MET A 103 33.909 -36.640 11.349 1.00 47.34 C ATOM 1023 SD MET A 103 34.128 -38.034 10.201 1.00 51.25 S ATOM 1024 CE MET A 103 32.485 -38.742 10.212 1.00 51.55 C ATOM 1025 H MET A 103 35.236 -34.169 10.382 1.00 0.00 H ATOM 1026 N ALA A 104 32.422 -32.698 9.332 1.00 39.98 N ATOM 1027 CA ALA A 104 31.510 -31.666 8.830 1.00 39.55 C ATOM 1028 C ALA A 104 31.706 -31.391 7.339 1.00 37.74 C ATOM 1029 O ALA A 104 30.726 -31.213 6.600 1.00 37.07 O ATOM 1030 CB ALA A 104 31.666 -30.368 9.622 1.00 39.94 C ATOM 1031 H ALA A 104 33.138 -32.433 10.038 1.00 0.00 H ATOM 1032 N VAL A 105 32.973 -31.368 6.913 1.00 36.78 N ATOM 1033 CA VAL A 105 33.316 -31.185 5.516 1.00 35.56 C ATOM 1034 C VAL A 105 32.783 -32.351 4.693 1.00 35.80 C ATOM 1035 O VAL A 105 32.147 -32.130 3.657 1.00 34.65 O ATOM 1036 CB VAL A 105 34.848 -31.033 5.300 1.00 36.39 C ATOM 1037 CG1 VAL A 105 35.195 -31.066 3.815 1.00 35.90 C ATOM 1038 CG2 VAL A 105 35.359 -29.738 5.924 1.00 36.24 C ATOM 1039 H VAL A 105 33.739 -31.485 7.607 1.00 0.00 H ATOM 1040 N MET A 106 33.024 -33.584 5.150 1.00 36.48 N ATOM 1041 CA MET A 106 32.525 -34.764 4.435 1.00 37.44 C ATOM 1042 C MET A 106 30.995 -34.749 4.333 1.00 37.44 C ATOM 1043 O MET A 106 30.445 -34.979 3.260 1.00 37.41 O ATOM 1044 CB MET A 106 32.973 -36.065 5.112 1.00 39.54 C ATOM 1045 CG MET A 106 32.699 -37.315 4.286 1.00 40.95 C ATOM 1046 SD MET A 106 33.434 -38.796 4.994 1.00 45.00 S ATOM 1047 CE MET A 106 32.424 -38.987 6.451 1.00 46.07 C ATOM 1048 H MET A 106 33.573 -33.709 6.025 1.00 0.00 H ATOM 1049 N ALA A 107 30.316 -34.498 5.451 1.00 37.60 N ATOM 1050 CA ALA A 107 28.843 -34.458 5.470 1.00 37.01 C ATOM 1051 C ALA A 107 28.304 -33.384 4.524 1.00 36.23 C ATOM 1052 O ALA A 107 27.335 -33.616 3.816 1.00 35.14 O ATOM 1053 CB ALA A 107 28.329 -34.228 6.881 1.00 37.36 C ATOM 1054 H ALA A 107 30.839 -34.326 6.333 1.00 0.00 H ATOM 1055 N THR A 108 28.965 -32.231 4.481 1.00 36.11 N ATOM 1056 CA THR A 108 28.534 -31.131 3.620 1.00 35.94 C ATOM 1057 C THR A 108 28.774 -31.464 2.145 1.00 35.08 C ATOM 1058 O THR A 108 27.911 -31.180 1.302 1.00 33.91 O ATOM 1059 CB THR A 108 29.209 -29.818 4.026 1.00 36.70 C ATOM 1060 OG1 THR A 108 28.995 -29.605 5.421 1.00 38.10 O ATOM 1061 CG2 THR A 108 28.619 -28.624 3.256 1.00 36.88 C ATOM 1062 HG1 THR A 108 29.386 -30.357 5.932 1.00 0.00 H ATOM 1063 H THR A 108 29.810 -32.109 5.075 1.00 0.00 H ATOM 1064 N ALA A 109 29.905 -32.108 1.851 1.00 34.50 N ATOM 1065 CA ALA A 109 30.226 -32.549 0.494 1.00 34.64 C ATOM 1066 C ALA A 109 29.238 -33.586 -0.035 1.00 35.95 C ATOM 1067 O ALA A 109 28.881 -33.547 -1.203 1.00 35.26 O ATOM 1068 CB ALA A 109 31.640 -33.093 0.433 1.00 34.89 C ATOM 1069 H ALA A 109 30.583 -32.304 2.615 1.00 0.00 H ATOM 1070 N MET A 110 28.807 -34.512 0.824 1.00 37.51 N ATOM 1071 CA MET A 110 27.762 -35.476 0.466 1.00 39.80 C ATOM 1072 C MET A 110 26.480 -34.749 0.065 1.00 38.00 C ATOM 1073 O MET A 110 25.950 -34.945 -1.009 1.00 37.46 O ATOM 1074 CB MET A 110 27.468 -36.415 1.645 1.00 43.41 C ATOM 1075 CG MET A 110 28.550 -37.449 1.912 1.00 47.28 C ATOM 1076 SD MET A 110 28.029 -38.580 3.242 1.00 56.23 S ATOM 1077 CE MET A 110 29.032 -38.103 4.646 1.00 54.52 C ATOM 1078 H MET A 110 29.225 -34.551 1.776 1.00 0.00 H ATOM 1079 N TYR A 111 26.013 -33.872 0.935 1.00 37.23 N ATOM 1080 CA TYR A 111 24.848 -33.054 0.660 1.00 36.97 C ATOM 1081 C TYR A 111 24.989 -32.261 -0.648 1.00 35.31 C ATOM 1082 O TYR A 111 24.066 -32.214 -1.448 1.00 33.69 O ATOM 1083 CB TYR A 111 24.623 -32.136 1.860 1.00 37.66 C ATOM 1084 CG TYR A 111 23.488 -31.178 1.747 1.00 38.26 C ATOM 1085 CD1 TYR A 111 22.195 -31.532 2.129 1.00 39.89 C ATOM 1086 CD2 TYR A 111 23.704 -29.897 1.309 1.00 39.25 C ATOM 1087 CE1 TYR A 111 21.159 -30.626 2.042 1.00 40.25 C ATOM 1088 CE2 TYR A 111 22.678 -28.994 1.222 1.00 39.97 C ATOM 1089 CZ TYR A 111 21.409 -29.372 1.565 1.00 39.46 C ATOM 1090 OH TYR A 111 20.445 -28.425 1.484 1.00 41.89 O ATOM 1091 HH TYR A 111 19.577 -28.816 1.755 1.00 0.00 H ATOM 1092 H TYR A 111 26.498 -33.764 1.849 1.00 0.00 H ATOM 1093 N LEU A 112 26.163 -31.676 -0.883 1.00 34.17 N ATOM 1094 CA LEU A 112 26.411 -30.904 -2.108 1.00 33.80 C ATOM 1095 C LEU A 112 26.699 -31.747 -3.379 1.00 33.97 C ATOM 1096 O LEU A 112 26.770 -31.180 -4.470 1.00 32.65 O ATOM 1097 CB LEU A 112 27.543 -29.890 -1.887 1.00 33.22 C ATOM 1098 CG LEU A 112 27.253 -28.780 -0.870 1.00 33.34 C ATOM 1099 CD1 LEU A 112 28.468 -27.859 -0.746 1.00 32.91 C ATOM 1100 CD2 LEU A 112 26.011 -27.998 -1.253 1.00 33.49 C ATOM 1101 H LEU A 112 26.924 -31.768 -0.180 1.00 0.00 H ATOM 1102 N GLN A 113 26.827 -33.070 -3.242 1.00 35.63 N ATOM 1103 CA GLN A 113 27.188 -33.987 -4.350 1.00 37.10 C ATOM 1104 C GLN A 113 28.528 -33.592 -4.959 1.00 36.49 C ATOM 1105 O GLN A 113 28.609 -33.240 -6.140 1.00 35.85 O ATOM 1106 CB GLN A 113 26.103 -34.051 -5.442 1.00 38.19 C ATOM 1107 CG GLN A 113 24.785 -34.636 -4.989 1.00 40.18 C ATOM 1108 CD GLN A 113 23.684 -34.438 -6.014 1.00 41.13 C ATOM 1109 OE1 GLN A 113 23.898 -34.551 -7.219 1.00 42.04 O ATOM 1110 NE2 GLN A 113 22.505 -34.124 -5.537 1.00 42.85 N ATOM 1111 HE22 GLN A 113 22.366 -34.038 -4.510 1.00 0.00 H ATOM 1112 HE21 GLN A 113 21.708 -33.960 -6.185 1.00 0.00 H ATOM 1113 H GLN A 113 26.663 -33.482 -2.301 1.00 0.00 H ATOM 1114 N MET A 114 29.555 -33.617 -4.113 1.00 36.75 N ATOM 1115 CA MET A 114 30.946 -33.377 -4.496 1.00 36.75 C ATOM 1116 C MET A 114 31.687 -34.643 -4.095 1.00 38.83 C ATOM 1117 O MET A 114 32.410 -34.686 -3.100 1.00 37.18 O ATOM 1118 CB MET A 114 31.487 -32.159 -3.769 1.00 35.99 C ATOM 1119 CG MET A 114 30.774 -30.887 -4.170 1.00 35.57 C ATOM 1120 SD MET A 114 31.133 -29.489 -3.103 1.00 35.04 S ATOM 1121 CE MET A 114 32.783 -29.118 -3.715 1.00 35.08 C ATOM 1122 H MET A 114 29.355 -33.821 -3.113 1.00 0.00 H ATOM 1123 N GLU A 115 31.445 -35.688 -4.882 1.00 42.17 N ATOM 1124 CA GLU A 115 31.801 -37.047 -4.505 1.00 45.67 C ATOM 1125 C GLU A 115 33.309 -37.265 -4.390 1.00 44.13 C ATOM 1126 O GLU A 115 33.771 -38.038 -3.558 1.00 43.97 O ATOM 1127 CB GLU A 115 31.182 -38.039 -5.496 1.00 49.05 C ATOM 1128 CG GLU A 115 31.206 -39.501 -5.054 1.00 53.42 C ATOM 1129 CD GLU A 115 30.658 -39.740 -3.645 1.00 56.72 C ATOM 1130 OE1 GLU A 115 31.245 -40.583 -2.932 1.00 59.91 O ATOM 1131 OE2 GLU A 115 29.667 -39.085 -3.234 1.00 58.64 O ATOM 1132 H GLU A 115 30.984 -35.527 -5.800 1.00 0.00 H ATOM 1133 N HIS A 116 34.062 -36.608 -5.257 1.00 43.74 N ATOM 1134 CA HIS A 116 35.524 -36.577 -5.139 1.00 44.36 C ATOM 1135 C HIS A 116 36.045 -36.019 -3.811 1.00 42.27 C ATOM 1136 O HIS A 116 37.058 -36.512 -3.310 1.00 42.58 O ATOM 1137 CB HIS A 116 36.179 -35.872 -6.331 1.00 45.79 C ATOM 1138 CG HIS A 116 35.901 -34.395 -6.416 1.00 47.91 C ATOM 1139 ND1 HIS A 116 34.634 -33.842 -6.317 1.00 47.72 N ATOM 1140 CD2 HIS A 116 36.739 -33.357 -6.662 1.00 48.90 C ATOM 1141 CE1 HIS A 116 34.713 -32.533 -6.463 1.00 48.15 C ATOM 1142 NE2 HIS A 116 35.978 -32.214 -6.677 1.00 49.03 N ATOM 1143 H HIS A 116 33.606 -36.101 -6.042 1.00 0.00 H ATOM 1144 N VAL A 117 35.388 -35.006 -3.244 1.00 38.85 N ATOM 1145 CA VAL A 117 35.784 -34.513 -1.909 1.00 37.62 C ATOM 1146 C VAL A 117 35.343 -35.501 -0.822 1.00 37.91 C ATOM 1147 O VAL A 117 36.056 -35.698 0.153 1.00 37.19 O ATOM 1148 CB VAL A 117 35.216 -33.112 -1.588 1.00 36.97 C ATOM 1149 CG1 VAL A 117 35.523 -32.728 -0.140 1.00 37.20 C ATOM 1150 CG2 VAL A 117 35.775 -32.081 -2.552 1.00 36.26 C ATOM 1151 H VAL A 117 34.593 -34.561 -3.745 1.00 0.00 H ATOM 1152 N VAL A 118 34.168 -36.111 -0.981 1.00 37.91 N ATOM 1153 CA VAL A 118 33.722 -37.140 -0.033 1.00 39.66 C ATOM 1154 C VAL A 118 34.758 -38.277 -0.015 1.00 40.79 C ATOM 1155 O VAL A 118 35.223 -38.679 1.037 1.00 41.07 O ATOM 1156 CB VAL A 118 32.321 -37.703 -0.369 1.00 39.88 C ATOM 1157 CG1 VAL A 118 31.959 -38.855 0.566 1.00 41.28 C ATOM 1158 CG2 VAL A 118 31.241 -36.618 -0.286 1.00 38.81 C ATOM 1159 H VAL A 118 33.561 -35.855 -1.785 1.00 0.00 H ATOM 1160 N ASP A 119 35.109 -38.773 -1.191 1.00 41.81 N ATOM 1161 CA ASP A 119 36.085 -39.861 -1.338 1.00 43.81 C ATOM 1162 C ASP A 119 37.452 -39.508 -0.693 1.00 42.97 C ATOM 1163 O ASP A 119 38.062 -40.334 -0.021 1.00 41.74 O ATOM 1164 CB ASP A 119 36.232 -40.184 -2.835 1.00 45.99 C ATOM 1165 CG ASP A 119 37.186 -41.349 -3.113 1.00 50.62 C ATOM 1166 OD1 ASP A 119 36.916 -42.465 -2.613 1.00 54.70 O ATOM 1167 OD2 ASP A 119 38.191 -41.147 -3.859 1.00 52.98 O ATOM 1168 H ASP A 119 34.675 -38.375 -2.048 1.00 0.00 H ATOM 1169 N THR A 120 37.908 -38.269 -0.884 1.00 41.14 N ATOM 1170 CA THR A 120 39.137 -37.774 -0.249 1.00 40.23 C ATOM 1171 C THR A 120 39.023 -37.785 1.265 1.00 40.81 C ATOM 1172 O THR A 120 39.919 -38.288 1.940 1.00 41.27 O ATOM 1173 CB THR A 120 39.478 -36.349 -0.728 1.00 38.85 C ATOM 1174 OG1 THR A 120 39.670 -36.373 -2.138 1.00 38.95 O ATOM 1175 CG2 THR A 120 40.723 -35.810 -0.074 1.00 38.02 C ATOM 1176 HG1 THR A 120 38.840 -36.686 -2.578 1.00 0.00 H ATOM 1177 H THR A 120 37.373 -37.629 -1.506 1.00 0.00 H ATOM 1178 N CYS A 121 37.919 -37.264 1.799 1.00 40.46 N ATOM 1179 CA CYS A 121 37.685 -37.294 3.247 1.00 42.00 C ATOM 1180 C CYS A 121 37.692 -38.729 3.817 1.00 44.50 C ATOM 1181 O CYS A 121 38.314 -38.983 4.864 1.00 44.08 O ATOM 1182 CB CYS A 121 36.374 -36.607 3.615 1.00 41.19 C ATOM 1183 SG CYS A 121 36.346 -34.818 3.394 1.00 40.34 S ATOM 1184 H CYS A 121 37.209 -36.827 1.177 1.00 0.00 H ATOM 1185 N ARG A 122 37.013 -39.654 3.127 1.00 46.75 N ATOM 1186 CA ARG A 122 37.040 -41.089 3.500 1.00 49.16 C ATOM 1187 C ARG A 122 38.470 -41.601 3.558 1.00 50.08 C ATOM 1188 O ARG A 122 38.840 -42.277 4.504 1.00 49.99 O ATOM 1189 CB ARG A 122 36.288 -41.961 2.497 1.00 51.12 C ATOM 1190 CG ARG A 122 34.787 -41.779 2.507 1.00 53.52 C ATOM 1191 CD ARG A 122 34.102 -42.897 1.733 1.00 56.28 C ATOM 1192 NE ARG A 122 32.773 -42.503 1.277 1.00 58.10 N ATOM 1193 CZ ARG A 122 31.713 -42.313 2.063 1.00 60.44 C ATOM 1194 NH1 ARG A 122 30.553 -41.960 1.520 1.00 61.37 N ATOM 1195 NH2 ARG A 122 31.788 -42.469 3.386 1.00 63.71 N ATOM 1196 HE ARG A 122 32.642 -42.359 0.255 1.00 0.00 H ATOM 1197 HH12 ARG A 122 29.720 -41.809 2.125 1.00 0.00 H ATOM 1198 HH11 ARG A 122 30.478 -41.834 0.490 1.00 0.00 H ATOM 1199 HH22 ARG A 122 30.946 -42.315 3.976 1.00 0.00 H ATOM 1200 HH21 ARG A 122 32.689 -42.745 3.827 1.00 0.00 H ATOM 1201 H ARG A 122 36.450 -39.357 2.305 1.00 0.00 H ATOM 1202 N LYS A 123 39.256 -41.285 2.528 1.00 50.60 N ATOM 1203 CA LYS A 123 40.637 -41.767 2.443 1.00 52.29 C ATOM 1204 C LYS A 123 41.525 -41.223 3.562 1.00 51.51 C ATOM 1205 O LYS A 123 42.365 -41.962 4.077 1.00 51.98 O ATOM 1206 CB LYS A 123 41.261 -41.475 1.078 1.00 53.88 C ATOM 1207 CG LYS A 123 40.807 -42.416 -0.025 1.00 55.46 C ATOM 1208 CD LYS A 123 41.351 -41.935 -1.365 1.00 56.73 C ATOM 1209 CE LYS A 123 40.593 -42.504 -2.554 1.00 58.23 C ATOM 1210 NZ LYS A 123 41.072 -43.863 -2.905 1.00 60.15 N ATOM 1211 HZ1 LYS A 123 42.082 -43.821 -3.148 1.00 0.00 H ATOM 1212 HZ2 LYS A 123 40.935 -44.498 -2.093 1.00 0.00 H ATOM 1213 HZ3 LYS A 123 40.533 -44.220 -3.720 1.00 0.00 H ATOM 1214 H LYS A 123 38.880 -40.683 1.768 1.00 0.00 H ATOM 1215 N PHE A 124 41.342 -39.957 3.940 1.00 48.77 N ATOM 1216 CA PHE A 124 42.065 -39.396 5.096 1.00 48.59 C ATOM 1217 C PHE A 124 41.625 -40.004 6.411 1.00 50.02 C ATOM 1218 O PHE A 124 42.448 -40.207 7.289 1.00 50.04 O ATOM 1219 CB PHE A 124 41.981 -37.863 5.161 1.00 46.31 C ATOM 1220 CG PHE A 124 42.975 -37.182 4.273 1.00 45.40 C ATOM 1221 CD1 PHE A 124 44.270 -36.966 4.706 1.00 45.80 C ATOM 1222 CD2 PHE A 124 42.636 -36.797 2.980 1.00 44.40 C ATOM 1223 CE1 PHE A 124 45.199 -36.354 3.881 1.00 45.35 C ATOM 1224 CE2 PHE A 124 43.562 -36.190 2.151 1.00 44.84 C ATOM 1225 CZ PHE A 124 44.857 -35.976 2.603 1.00 44.71 C ATOM 1226 H PHE A 124 40.679 -39.356 3.411 1.00 0.00 H ATOM 1227 N ILE A 125 40.332 -40.282 6.551 1.00 51.35 N ATOM 1228 CA ILE A 125 39.805 -40.973 7.732 1.00 53.46 C ATOM 1229 C ILE A 125 40.416 -42.388 7.850 1.00 56.35 C ATOM 1230 O ILE A 125 40.882 -42.773 8.927 1.00 58.16 O ATOM 1231 CB ILE A 125 38.256 -41.013 7.702 1.00 53.20 C ATOM 1232 CG1 ILE A 125 37.693 -39.610 7.952 1.00 52.33 C ATOM 1233 CG2 ILE A 125 37.694 -41.971 8.750 1.00 54.45 C ATOM 1234 CD1 ILE A 125 36.275 -39.414 7.478 1.00 52.30 C ATOM 1235 H ILE A 125 39.673 -40.000 5.798 1.00 0.00 H ATOM 1236 N LYS A 126 40.441 -43.134 6.741 1.00 57.75 N ATOM 1237 CA LYS A 126 41.014 -44.495 6.712 1.00 60.79 C ATOM 1238 C LYS A 126 42.528 -44.494 6.911 1.00 62.10 C ATOM 1239 O LYS A 126 43.031 -45.185 7.788 1.00 61.87 O ATOM 1240 CB LYS A 126 40.682 -45.204 5.391 1.00 61.83 C ATOM 1241 CG LYS A 126 41.164 -46.653 5.282 1.00 65.43 C ATOM 1242 CD LYS A 126 40.291 -47.631 6.060 1.00 67.98 C ATOM 1243 CE LYS A 126 38.966 -47.888 5.342 1.00 68.98 C ATOM 1244 NZ LYS A 126 38.230 -49.074 5.862 1.00 71.80 N ATOM 1245 HZ1 LYS A 126 38.818 -49.924 5.746 1.00 0.00 H ATOM 1246 HZ2 LYS A 126 38.017 -48.934 6.870 1.00 0.00 H ATOM 1247 HZ3 LYS A 126 37.343 -49.190 5.332 1.00 0.00 H ATOM 1248 H LYS A 126 40.042 -42.741 5.865 1.00 0.00 H ATOM 1249 N ALA A 127 43.246 -43.733 6.083 1.00 61.93 N ATOM 1250 CA ALA A 127 44.721 -43.665 6.162 1.00 63.56 C ATOM 1251 C ALA A 127 45.259 -43.129 7.504 1.00 64.86 C ATOM 1252 O ALA A 127 46.382 -43.457 7.889 1.00 65.25 O ATOM 1253 CB ALA A 127 45.283 -42.844 5.001 1.00 62.21 C ATOM 1254 H ALA A 127 42.753 -43.171 5.360 1.00 0.00 H ATOM 1255 N SER A 128 44.467 -42.307 8.200 1.00 66.01 N ATOM 1256 CA SER A 128 44.830 -41.796 9.531 1.00 69.15 C ATOM 1257 C SER A 128 44.285 -42.625 10.693 1.00 71.39 C ATOM 1258 O SER A 128 44.623 -42.335 11.824 1.00 72.80 O ATOM 1259 CB SER A 128 44.367 -40.344 9.703 1.00 67.58 C ATOM 1260 OG SER A 128 42.957 -40.272 9.859 1.00 67.91 O ATOM 1261 HG SER A 128 42.518 -40.652 9.057 1.00 0.00 H ATOM 1262 H SER A 128 43.559 -42.017 7.784 1.00 0.00 H ATOM 1263 N GLU A 129 43.422 -43.607 10.431 1.00 75.52 N ATOM 1264 CA GLU A 129 43.005 -44.571 11.474 1.00 80.17 C ATOM 1265 C GLU A 129 44.173 -45.444 11.914 1.00 81.63 C ATOM 1266 O GLU A 129 45.132 -45.689 11.181 1.00 83.59 O ATOM 1267 CB GLU A 129 41.865 -45.480 10.998 1.00 82.36 C ATOM 1268 CG GLU A 129 40.470 -44.969 11.324 1.00 83.78 C ATOM 1269 CD GLU A 129 39.381 -45.689 10.545 1.00 85.63 C ATOM 1270 OE1 GLU A 129 39.630 -46.820 10.067 1.00 89.64 O ATOM 1271 OE2 GLU A 129 38.270 -45.128 10.415 1.00 85.10 O ATOM 1272 OXT GLU A 129 44.172 -45.933 13.032 1.00 84.45 O ATOM 1273 H GLU A 129 43.033 -43.698 9.471 1.00 0.00 H TER 1274 GLU A 129 ATOM 1275 N LEU B 0 45.227 -37.270 -7.634 1.00 49.99 N ATOM 1276 CA LEU B 0 44.196 -36.193 -7.736 1.00 47.73 C ATOM 1277 C LEU B 0 44.462 -35.016 -6.775 1.00 44.16 C ATOM 1278 O LEU B 0 43.977 -33.910 -7.021 1.00 42.10 O ATOM 1279 CB LEU B 0 42.763 -36.730 -7.459 1.00 50.72 C ATOM 1280 CG LEU B 0 42.257 -38.192 -7.474 1.00 53.11 C ATOM 1281 CD1 LEU B 0 42.970 -39.096 -6.481 1.00 54.12 C ATOM 1282 CD2 LEU B 0 40.746 -38.215 -7.181 1.00 53.90 C ATOM 1283 HN3 LEU B 0 45.238 -37.647 -6.665 1.00 0.00 H ATOM 1284 HN2 LEU B 0 46.162 -36.876 -7.865 1.00 0.00 H ATOM 1285 HN1 LEU B 0 44.997 -38.033 -8.302 1.00 0.00 H ATOM 1286 N TYR B 1 45.145 -35.263 -5.650 1.00 41.16 N ATOM 1287 CA TYR B 1 45.414 -34.219 -4.664 1.00 39.73 C ATOM 1288 C TYR B 1 46.783 -34.355 -4.004 1.00 39.11 C ATOM 1289 O TYR B 1 47.386 -35.431 -3.968 1.00 37.48 O ATOM 1290 CB TYR B 1 44.330 -34.169 -3.584 1.00 40.98 C ATOM 1291 CG TYR B 1 44.018 -35.504 -2.948 1.00 44.19 C ATOM 1292 CD1 TYR B 1 44.698 -35.951 -1.810 1.00 45.09 C ATOM 1293 CD2 TYR B 1 43.031 -36.325 -3.496 1.00 45.97 C ATOM 1294 CE1 TYR B 1 44.400 -37.192 -1.236 1.00 46.91 C ATOM 1295 CE2 TYR B 1 42.730 -37.558 -2.943 1.00 47.19 C ATOM 1296 CZ TYR B 1 43.399 -37.987 -1.818 1.00 47.78 C ATOM 1297 OH TYR B 1 43.032 -39.217 -1.323 1.00 48.58 O ATOM 1298 HH TYR B 1 43.573 -39.423 -0.520 1.00 0.00 H ATOM 1299 H TYR B 1 45.494 -36.226 -5.473 1.00 0.00 H ATOM 1300 N PHE B 2 47.263 -33.236 -3.483 1.00 37.52 N ATOM 1301 CA PHE B 2 48.598 -33.182 -2.911 1.00 38.39 C ATOM 1302 C PHE B 2 48.649 -32.204 -1.762 1.00 38.67 C ATOM 1303 O PHE B 2 47.786 -31.328 -1.623 1.00 37.09 O ATOM 1304 CB PHE B 2 49.639 -32.819 -3.979 1.00 37.74 C ATOM 1305 CG PHE B 2 49.447 -31.451 -4.605 1.00 37.05 C ATOM 1306 CD1 PHE B 2 50.058 -30.326 -4.054 1.00 37.28 C ATOM 1307 CD2 PHE B 2 48.707 -31.300 -5.769 1.00 35.68 C ATOM 1308 CE1 PHE B 2 49.921 -29.082 -4.637 1.00 36.86 C ATOM 1309 CE2 PHE B 2 48.570 -30.052 -6.371 1.00 36.05 C ATOM 1310 CZ PHE B 2 49.181 -28.942 -5.801 1.00 36.41 C ATOM 1311 H PHE B 2 46.673 -32.379 -3.483 1.00 0.00 H ATOM 1312 N GLN B 3 49.670 -32.391 -0.940 1.00 40.57 N ATOM 1313 CA GLN B 3 50.006 -31.470 0.114 1.00 42.54 C ATOM 1314 C GLN B 3 50.623 -30.204 -0.475 1.00 43.15 C ATOM 1315 O GLN B 3 51.741 -30.230 -1.018 1.00 45.44 O ATOM 1316 CB GLN B 3 50.985 -32.146 1.083 1.00 45.23 C ATOM 1317 CG GLN B 3 51.263 -31.376 2.354 1.00 46.84 C ATOM 1318 CD GLN B 3 49.988 -31.005 3.073 1.00 46.69 C ATOM 1319 OE1 GLN B 3 49.244 -31.880 3.519 1.00 48.57 O ATOM 1320 NE2 GLN B 3 49.699 -29.703 3.145 1.00 46.75 N ATOM 1321 HE22 GLN B 3 50.359 -29.001 2.754 1.00 0.00 H ATOM 1322 HE21 GLN B 3 48.814 -29.391 3.592 1.00 0.00 H ATOM 1323 H GLN B 3 50.256 -33.242 -1.061 1.00 0.00 H ATOM 1324 N GLY B 4 49.906 -29.090 -0.363 1.00 42.52 N ATOM 1325 CA GLY B 4 50.408 -27.790 -0.804 1.00 43.66 C ATOM 1326 C GLY B 4 51.505 -27.260 0.115 1.00 46.00 C ATOM 1327 O GLY B 4 51.759 -27.817 1.188 1.00 46.25 O ATOM 1328 H GLY B 4 48.954 -29.146 0.053 1.00 0.00 H ATOM 1329 N ALA B 5 52.144 -26.176 -0.322 1.00 47.86 N ATOM 1330 CA ALA B 5 53.131 -25.438 0.477 1.00 50.85 C ATOM 1331 C ALA B 5 52.504 -24.790 1.718 1.00 51.94 C ATOM 1332 O ALA B 5 53.191 -24.577 2.709 1.00 49.52 O ATOM 1333 CB ALA B 5 53.802 -24.366 -0.375 1.00 51.49 C ATOM 1334 H ALA B 5 51.933 -25.834 -1.281 1.00 0.00 H ATOM 1335 N ASP B 6 51.216 -24.445 1.628 1.00 53.25 N ATOM 1336 CA ASP B 6 50.415 -24.051 2.793 1.00 56.60 C ATOM 1337 C ASP B 6 49.862 -25.338 3.451 1.00 57.70 C ATOM 1338 O ASP B 6 50.208 -26.440 3.042 1.00 61.25 O ATOM 1339 CB ASP B 6 49.310 -23.048 2.389 1.00 57.61 C ATOM 1340 CG ASP B 6 48.228 -23.656 1.471 1.00 59.23 C ATOM 1341 OD1 ASP B 6 48.543 -24.553 0.652 1.00 60.67 O ATOM 1342 OD2 ASP B 6 47.048 -23.226 1.568 1.00 60.75 O ATOM 1343 H ASP B 6 50.762 -24.456 0.692 1.00 0.00 H ATOM 1344 N SER B 7 49.024 -25.229 4.473 1.00 56.71 N ATOM 1345 CA SER B 7 48.502 -26.447 5.115 1.00 54.30 C ATOM 1346 C SER B 7 47.460 -27.176 4.213 1.00 51.29 C ATOM 1347 O SER B 7 47.317 -28.400 4.279 1.00 50.88 O ATOM 1348 CB SER B 7 47.919 -26.116 6.488 1.00 54.69 C ATOM 1349 OG SER B 7 46.813 -25.250 6.363 1.00 55.52 O ATOM 1350 HG SER B 7 46.450 -25.048 7.262 1.00 0.00 H ATOM 1351 H SER B 7 48.738 -24.291 4.818 1.00 0.00 H ATOM 1352 N CYS B 8 46.770 -26.437 3.347 1.00 46.75 N ATOM 1353 CA CYS B 8 45.700 -27.020 2.569 1.00 45.72 C ATOM 1354 C CYS B 8 46.133 -28.159 1.656 1.00 43.99 C ATOM 1355 O CYS B 8 47.248 -28.182 1.117 1.00 44.81 O ATOM 1356 CB CYS B 8 44.981 -25.964 1.736 1.00 45.24 C ATOM 1357 SG CYS B 8 44.117 -24.759 2.762 1.00 48.75 S ATOM 1358 H CYS B 8 47.003 -25.430 3.229 1.00 0.00 H ATOM 1359 N ILE B 9 45.215 -29.099 1.519 1.00 41.16 N ATOM 1360 CA ILE B 9 45.249 -30.107 0.496 1.00 40.94 C ATOM 1361 C ILE B 9 44.819 -29.393 -0.777 1.00 38.68 C ATOM 1362 O ILE B 9 43.852 -28.626 -0.762 1.00 37.45 O ATOM 1363 CB ILE B 9 44.261 -31.252 0.833 1.00 42.42 C ATOM 1364 CG1 ILE B 9 44.702 -31.969 2.114 1.00 43.77 C ATOM 1365 CG2 ILE B 9 44.156 -32.252 -0.313 1.00 43.66 C ATOM 1366 CD1 ILE B 9 46.075 -32.572 2.051 1.00 44.77 C ATOM 1367 H ILE B 9 44.421 -29.110 2.191 1.00 0.00 H ATOM 1368 N GLN B 10 45.518 -29.659 -1.875 1.00 36.85 N ATOM 1369 CA GLN B 10 45.228 -29.028 -3.128 1.00 36.34 C ATOM 1370 C GLN B 10 44.915 -30.065 -4.196 1.00 35.23 C ATOM 1371 O GLN B 10 45.563 -31.130 -4.261 1.00 34.24 O ATOM 1372 CB GLN B 10 46.392 -28.139 -3.536 1.00 38.81 C ATOM 1373 CG GLN B 10 45.987 -27.151 -4.586 1.00 41.06 C ATOM 1374 CD GLN B 10 47.040 -26.098 -4.855 1.00 43.50 C ATOM 1375 OE1 GLN B 10 47.863 -25.757 -3.998 1.00 45.52 O ATOM 1376 NE2 GLN B 10 47.026 -25.601 -6.067 1.00 45.16 N ATOM 1377 HE22 GLN B 10 46.312 -25.921 -6.752 1.00 0.00 H ATOM 1378 HE21 GLN B 10 47.729 -24.886 -6.344 1.00 0.00 H ATOM 1379 H GLN B 10 46.298 -30.345 -1.823 1.00 0.00 H ATOM 1380 N PHE B 11 43.884 -29.768 -4.998 1.00 33.98 N ATOM 1381 CA PHE B 11 43.408 -30.671 -6.043 1.00 34.26 C ATOM 1382 C PHE B 11 43.947 -30.243 -7.405 1.00 34.66 C ATOM 1383 O PHE B 11 43.571 -29.204 -7.918 1.00 35.01 O ATOM 1384 CB PHE B 11 41.880 -30.727 -6.044 1.00 33.95 C ATOM 1385 CG PHE B 11 41.310 -31.553 -4.930 1.00 34.88 C ATOM 1386 CD1 PHE B 11 41.419 -31.132 -3.598 1.00 34.87 C ATOM 1387 CD2 PHE B 11 40.653 -32.764 -5.204 1.00 35.73 C ATOM 1388 CE1 PHE B 11 40.891 -31.890 -2.561 1.00 35.76 C ATOM 1389 CE2 PHE B 11 40.121 -33.531 -4.160 1.00 36.91 C ATOM 1390 CZ PHE B 11 40.243 -33.094 -2.843 1.00 36.90 C ATOM 1391 H PHE B 11 43.402 -28.855 -4.871 1.00 0.00 H ATOM 1392 N THR B 12 44.803 -31.078 -7.980 1.00 35.26 N ATOM 1393 CA THR B 12 45.489 -30.849 -9.249 1.00 36.75 C ATOM 1394 C THR B 12 44.569 -30.514 -10.418 1.00 36.21 C ATOM 1395 O THR B 12 44.860 -29.598 -11.166 1.00 35.80 O ATOM 1396 CB THR B 12 46.307 -32.112 -9.615 1.00 38.20 C ATOM 1397 OG1 THR B 12 47.059 -32.488 -8.469 1.00 39.84 O ATOM 1398 CG2 THR B 12 47.251 -31.884 -10.752 1.00 38.80 C ATOM 1399 HG1 THR B 12 47.593 -33.296 -8.676 1.00 0.00 H ATOM 1400 H THR B 12 45.002 -31.971 -7.485 1.00 0.00 H ATOM 1401 N ARG B 13 43.472 -31.248 -10.578 1.00 35.85 N ATOM 1402 CA ARG B 13 42.599 -31.064 -11.746 1.00 35.75 C ATOM 1403 C ARG B 13 41.417 -30.127 -11.498 1.00 33.05 C ATOM 1404 O ARG B 13 40.586 -29.955 -12.386 1.00 32.05 O ATOM 1405 CB ARG B 13 42.066 -32.421 -12.240 1.00 38.57 C ATOM 1406 CG ARG B 13 43.136 -33.417 -12.644 1.00 43.11 C ATOM 1407 CD ARG B 13 43.885 -32.971 -13.889 1.00 45.80 C ATOM 1408 NE ARG B 13 44.966 -33.905 -14.198 1.00 50.51 N ATOM 1409 CZ ARG B 13 46.132 -33.588 -14.769 1.00 52.21 C ATOM 1410 NH1 ARG B 13 46.424 -32.335 -15.133 1.00 53.42 N ATOM 1411 NH2 ARG B 13 47.028 -34.551 -14.974 1.00 53.48 N ATOM 1412 HE ARG B 13 44.814 -34.904 -13.952 1.00 0.00 H ATOM 1413 HH12 ARG B 13 47.341 -32.122 -15.575 1.00 0.00 H ATOM 1414 HH11 ARG B 13 45.734 -31.573 -14.974 1.00 0.00 H ATOM 1415 HH22 ARG B 13 47.942 -34.326 -15.417 1.00 0.00 H ATOM 1416 HH21 ARG B 13 46.814 -35.529 -14.691 1.00 0.00 H ATOM 1417 H ARG B 13 43.228 -31.964 -9.865 1.00 0.00 H ATOM 1418 N HIS B 14 41.316 -29.526 -10.316 1.00 31.24 N ATOM 1419 CA HIS B 14 40.098 -28.802 -9.966 1.00 29.18 C ATOM 1420 C HIS B 14 39.853 -27.611 -10.899 1.00 28.91 C ATOM 1421 O HIS B 14 38.754 -27.466 -11.447 1.00 26.50 O ATOM 1422 CB HIS B 14 40.122 -28.337 -8.521 1.00 29.13 C ATOM 1423 CG HIS B 14 38.960 -27.480 -8.153 1.00 28.67 C ATOM 1424 ND1 HIS B 14 37.689 -27.984 -7.991 1.00 28.21 N ATOM 1425 CD2 HIS B 14 38.860 -26.140 -7.998 1.00 28.30 C ATOM 1426 CE1 HIS B 14 36.863 -26.999 -7.703 1.00 28.61 C ATOM 1427 NE2 HIS B 14 37.544 -25.866 -7.711 1.00 28.94 N ATOM 1428 H HIS B 14 42.105 -29.572 -9.641 1.00 0.00 H ATOM 1429 N ALA B 15 40.867 -26.771 -11.096 1.00 28.80 N ATOM 1430 CA ALA B 15 40.667 -25.567 -11.898 1.00 28.48 C ATOM 1431 C ALA B 15 40.311 -25.936 -13.330 1.00 28.28 C ATOM 1432 O ALA B 15 39.403 -25.356 -13.898 1.00 27.07 O ATOM 1433 CB ALA B 15 41.901 -24.685 -11.866 1.00 29.31 C ATOM 1434 H ALA B 15 41.799 -26.972 -10.680 1.00 0.00 H ATOM 1435 N SER B 16 41.010 -26.910 -13.916 1.00 28.85 N ATOM 1436 CA SER B 16 40.668 -27.334 -15.279 1.00 29.99 C ATOM 1437 C SER B 16 39.291 -28.022 -15.395 1.00 29.62 C ATOM 1438 O SER B 16 38.624 -27.843 -16.403 1.00 29.45 O ATOM 1439 CB SER B 16 41.758 -28.207 -15.913 1.00 31.75 C ATOM 1440 OG SER B 16 42.131 -29.237 -15.048 1.00 34.65 O ATOM 1441 HG SER B 16 42.480 -28.850 -14.206 1.00 0.00 H ATOM 1442 H SER B 16 41.794 -27.367 -13.409 1.00 0.00 H ATOM 1443 N ASP B 17 38.879 -28.780 -14.375 1.00 30.24 N ATOM 1444 CA ASP B 17 37.533 -29.373 -14.334 1.00 30.30 C ATOM 1445 C ASP B 17 36.455 -28.302 -14.224 1.00 28.72 C ATOM 1446 O ASP B 17 35.411 -28.394 -14.887 1.00 28.93 O ATOM 1447 CB ASP B 17 37.393 -30.368 -13.176 1.00 32.13 C ATOM 1448 CG ASP B 17 38.064 -31.714 -13.453 1.00 35.29 C ATOM 1449 OD1 ASP B 17 38.526 -31.969 -14.584 1.00 37.89 O ATOM 1450 OD2 ASP B 17 38.138 -32.531 -12.508 1.00 37.43 O ATOM 1451 H ASP B 17 39.531 -28.957 -13.584 1.00 0.00 H ATOM 1452 N VAL B 18 36.701 -27.255 -13.428 1.00 27.69 N ATOM 1453 CA VAL B 18 35.767 -26.136 -13.374 1.00 27.34 C ATOM 1454 C VAL B 18 35.579 -25.518 -14.752 1.00 26.84 C ATOM 1455 O VAL B 18 34.448 -25.257 -15.200 1.00 25.93 O ATOM 1456 CB VAL B 18 36.199 -25.052 -12.365 1.00 27.79 C ATOM 1457 CG1 VAL B 18 35.377 -23.786 -12.527 1.00 27.97 C ATOM 1458 CG2 VAL B 18 36.039 -25.561 -10.942 1.00 28.90 C ATOM 1459 H VAL B 18 37.562 -27.239 -12.845 1.00 0.00 H ATOM 1460 N LEU B 19 36.699 -25.274 -15.429 1.00 26.84 N ATOM 1461 CA LEU B 19 36.651 -24.660 -16.732 1.00 27.45 C ATOM 1462 C LEU B 19 35.926 -25.563 -17.729 1.00 27.53 C ATOM 1463 O LEU B 19 35.148 -25.088 -18.550 1.00 26.06 O ATOM 1464 CB LEU B 19 38.069 -24.325 -17.220 1.00 28.68 C ATOM 1465 CG LEU B 19 38.122 -23.342 -18.362 1.00 29.84 C ATOM 1466 CD1 LEU B 19 37.588 -21.976 -17.954 1.00 29.98 C ATOM 1467 CD2 LEU B 19 39.561 -23.262 -18.901 1.00 30.73 C ATOM 1468 H LEU B 19 37.618 -25.529 -15.014 1.00 0.00 H ATOM 1469 N LEU B 20 36.170 -26.862 -17.630 1.00 28.01 N ATOM 1470 CA LEU B 20 35.524 -27.837 -18.487 1.00 29.83 C ATOM 1471 C LEU B 20 33.994 -27.807 -18.264 1.00 28.64 C ATOM 1472 O LEU B 20 33.207 -27.758 -19.200 1.00 28.60 O ATOM 1473 CB LEU B 20 36.130 -29.197 -18.159 1.00 32.68 C ATOM 1474 CG LEU B 20 35.889 -30.370 -19.067 1.00 36.44 C ATOM 1475 CD1 LEU B 20 36.933 -31.442 -18.739 1.00 38.46 C ATOM 1476 CD2 LEU B 20 34.481 -30.897 -18.853 1.00 38.38 C ATOM 1477 H LEU B 20 36.847 -27.193 -16.914 1.00 0.00 H ATOM 1478 N ASN B 21 33.594 -27.766 -17.015 1.00 27.96 N ATOM 1479 CA ASN B 21 32.179 -27.650 -16.681 1.00 27.71 C ATOM 1480 C ASN B 21 31.551 -26.336 -17.111 1.00 27.48 C ATOM 1481 O ASN B 21 30.418 -26.337 -17.550 1.00 27.44 O ATOM 1482 CB ASN B 21 31.978 -27.888 -15.211 1.00 27.30 C ATOM 1483 CG ASN B 21 32.140 -29.352 -14.843 1.00 28.64 C ATOM 1484 OD1 ASN B 21 31.937 -30.249 -15.677 1.00 29.89 O ATOM 1485 ND2 ASN B 21 32.485 -29.604 -13.606 1.00 28.86 N ATOM 1486 HD22 ASN B 21 32.645 -28.821 -12.941 1.00 0.00 H ATOM 1487 HD21 ASN B 21 32.599 -30.588 -13.288 1.00 0.00 H ATOM 1488 H ASN B 21 34.297 -27.817 -16.251 1.00 0.00 H ATOM 1489 N LEU B 22 32.281 -25.233 -16.981 1.00 27.09 N ATOM 1490 CA LEU B 22 31.806 -23.930 -17.495 1.00 27.14 C ATOM 1491 C LEU B 22 31.589 -23.969 -19.012 1.00 27.53 C ATOM 1492 O LEU B 22 30.597 -23.454 -19.512 1.00 27.47 O ATOM 1493 CB LEU B 22 32.769 -22.790 -17.092 1.00 26.76 C ATOM 1494 CG LEU B 22 32.789 -22.433 -15.594 1.00 26.72 C ATOM 1495 CD1 LEU B 22 33.898 -21.452 -15.264 1.00 26.66 C ATOM 1496 CD2 LEU B 22 31.449 -21.890 -15.110 1.00 27.29 C ATOM 1497 H LEU B 22 33.206 -25.287 -16.508 1.00 0.00 H ATOM 1498 N ASN B 23 32.502 -24.609 -19.740 1.00 27.64 N ATOM 1499 CA ASN B 23 32.354 -24.728 -21.167 1.00 28.74 C ATOM 1500 C ASN B 23 31.170 -25.616 -21.541 1.00 29.73 C ATOM 1501 O ASN B 23 30.485 -25.341 -22.517 1.00 30.49 O ATOM 1502 CB ASN B 23 33.642 -25.236 -21.827 1.00 28.97 C ATOM 1503 CG ASN B 23 33.691 -24.945 -23.308 1.00 30.28 C ATOM 1504 OD1 ASN B 23 33.122 -23.973 -23.799 1.00 29.84 O ATOM 1505 ND2 ASN B 23 34.411 -25.768 -24.024 1.00 31.24 N ATOM 1506 HD22 ASN B 23 34.877 -26.580 -23.571 1.00 0.00 H ATOM 1507 HD21 ASN B 23 34.518 -25.611 -25.047 1.00 0.00 H ATOM 1508 H ASN B 23 33.331 -25.028 -19.272 1.00 0.00 H ATOM 1509 N ARG B 24 30.936 -26.668 -20.759 1.00 30.30 N ATOM 1510 CA ARG B 24 29.778 -27.518 -20.955 1.00 31.26 C ATOM 1511 C ARG B 24 28.463 -26.751 -20.711 1.00 30.95 C ATOM 1512 O ARG B 24 27.498 -26.915 -21.459 1.00 31.41 O ATOM 1513 CB ARG B 24 29.890 -28.745 -20.048 1.00 32.18 C ATOM 1514 CG ARG B 24 28.772 -29.755 -20.192 1.00 34.30 C ATOM 1515 CD ARG B 24 28.670 -30.286 -21.603 1.00 36.40 C ATOM 1516 NE ARG B 24 27.701 -31.368 -21.663 1.00 38.57 N ATOM 1517 CZ ARG B 24 27.346 -31.993 -22.779 1.00 41.18 C ATOM 1518 NH1 ARG B 24 27.872 -31.652 -23.960 1.00 41.95 N ATOM 1519 NH2 ARG B 24 26.438 -32.961 -22.713 1.00 42.34 N ATOM 1520 HE ARG B 24 27.257 -31.672 -20.773 1.00 0.00 H ATOM 1521 HH12 ARG B 24 27.581 -32.154 -24.823 1.00 0.00 H ATOM 1522 HH11 ARG B 24 28.572 -30.885 -24.015 1.00 0.00 H ATOM 1523 HH22 ARG B 24 26.148 -33.462 -23.577 1.00 0.00 H ATOM 1524 HH21 ARG B 24 26.018 -33.218 -21.797 1.00 0.00 H ATOM 1525 H ARG B 24 31.600 -26.885 -19.989 1.00 0.00 H ATOM 1526 N LEU B 25 28.423 -25.914 -19.674 1.00 30.50 N ATOM 1527 CA LEU B 25 27.259 -25.044 -19.462 1.00 30.13 C ATOM 1528 C LEU B 25 27.068 -24.096 -20.645 1.00 30.67 C ATOM 1529 O LEU B 25 25.941 -23.912 -21.112 1.00 29.96 O ATOM 1530 CB LEU B 25 27.382 -24.247 -18.163 1.00 30.58 C ATOM 1531 CG LEU B 25 27.430 -24.997 -16.837 1.00 31.33 C ATOM 1532 CD1 LEU B 25 27.808 -24.018 -15.736 1.00 31.19 C ATOM 1533 CD2 LEU B 25 26.097 -25.669 -16.546 1.00 32.40 C ATOM 1534 H LEU B 25 29.222 -25.877 -19.010 1.00 0.00 H ATOM 1535 N ARG B 26 28.161 -23.504 -21.142 1.00 30.09 N ATOM 1536 CA ARG B 26 28.094 -22.718 -22.376 1.00 31.54 C ATOM 1537 C ARG B 26 27.535 -23.515 -23.575 1.00 33.31 C ATOM 1538 O ARG B 26 26.601 -23.039 -24.215 1.00 35.09 O ATOM 1539 CB ARG B 26 29.445 -22.086 -22.737 1.00 31.21 C ATOM 1540 CG ARG B 26 29.372 -21.197 -23.977 1.00 32.11 C ATOM 1541 CD ARG B 26 30.679 -20.487 -24.246 1.00 32.22 C ATOM 1542 NE ARG B 26 31.775 -21.372 -24.671 1.00 33.01 N ATOM 1543 CZ ARG B 26 32.405 -21.341 -25.853 1.00 34.04 C ATOM 1544 NH1 ARG B 26 32.066 -20.470 -26.811 1.00 34.89 N ATOM 1545 NH2 ARG B 26 33.407 -22.193 -26.090 1.00 34.36 N ATOM 1546 HE ARG B 26 32.091 -22.090 -23.989 1.00 0.00 H ATOM 1547 HH12 ARG B 26 32.574 -20.471 -27.718 1.00 0.00 H ATOM 1548 HH11 ARG B 26 31.294 -19.792 -26.648 1.00 0.00 H ATOM 1549 HH22 ARG B 26 33.900 -22.174 -27.005 1.00 0.00 H ATOM 1550 HH21 ARG B 26 33.694 -22.875 -25.359 1.00 0.00 H ATOM 1551 H ARG B 26 29.069 -23.604 -20.645 1.00 0.00 H ATOM 1552 N SER B 27 28.061 -24.707 -23.865 1.00 34.04 N ATOM 1553 CA SER B 27 27.517 -25.547 -24.964 1.00 37.12 C ATOM 1554 C SER B 27 26.014 -25.800 -24.887 1.00 37.55 C ATOM 1555 O SER B 27 25.360 -25.825 -25.911 1.00 37.83 O ATOM 1556 CB SER B 27 28.165 -26.923 -25.022 1.00 37.83 C ATOM 1557 OG SER B 27 29.554 -26.767 -25.088 1.00 42.13 O ATOM 1558 HG SER B 27 29.869 -26.282 -24.285 1.00 0.00 H ATOM 1559 H SER B 27 28.869 -25.055 -23.310 1.00 0.00 H ATOM 1560 N ARG B 28 25.520 -26.033 -23.678 1.00 36.73 N ATOM 1561 CA ARG B 28 24.118 -26.304 -23.423 1.00 37.46 C ATOM 1562 C ARG B 28 23.293 -25.035 -23.182 1.00 36.99 C ATOM 1563 O ARG B 28 22.090 -25.121 -22.940 1.00 37.32 O ATOM 1564 CB ARG B 28 24.005 -27.272 -22.241 1.00 38.26 C ATOM 1565 CG ARG B 28 24.678 -28.617 -22.526 1.00 38.91 C ATOM 1566 CD ARG B 28 24.597 -29.568 -21.350 1.00 40.22 C ATOM 1567 NE ARG B 28 23.200 -29.813 -21.010 1.00 41.49 N ATOM 1568 CZ ARG B 28 22.736 -30.184 -19.823 1.00 41.85 C ATOM 1569 NH1 ARG B 28 23.535 -30.424 -18.795 1.00 41.37 N ATOM 1570 NH2 ARG B 28 21.431 -30.331 -19.674 1.00 43.90 N ATOM 1571 HE ARG B 28 22.501 -29.685 -21.770 1.00 0.00 H ATOM 1572 HH12 ARG B 28 23.133 -30.713 -17.880 1.00 0.00 H ATOM 1573 HH11 ARG B 28 24.565 -30.324 -18.902 1.00 0.00 H ATOM 1574 HH22 ARG B 28 21.042 -30.621 -18.754 1.00 0.00 H ATOM 1575 HH21 ARG B 28 20.793 -30.157 -20.477 1.00 0.00 H ATOM 1576 H ARG B 28 26.173 -26.021 -22.869 1.00 0.00 H ATOM 1577 N ASP B 29 23.930 -23.866 -23.273 1.00 35.26 N ATOM 1578 CA ASP B 29 23.281 -22.578 -23.088 1.00 36.14 C ATOM 1579 C ASP B 29 22.613 -22.447 -21.709 1.00 34.96 C ATOM 1580 O ASP B 29 21.523 -21.877 -21.569 1.00 35.02 O ATOM 1581 CB ASP B 29 22.276 -22.303 -24.224 1.00 38.49 C ATOM 1582 CG ASP B 29 22.015 -20.825 -24.416 1.00 40.10 C ATOM 1583 OD1 ASP B 29 22.963 -20.028 -24.263 1.00 40.18 O ATOM 1584 OD2 ASP B 29 20.866 -20.453 -24.731 1.00 42.18 O ATOM 1585 H ASP B 29 24.947 -23.877 -23.488 1.00 0.00 H ATOM 1586 N ILE B 30 23.302 -22.952 -20.693 1.00 33.59 N ATOM 1587 CA ILE B 30 22.809 -22.934 -19.328 1.00 33.49 C ATOM 1588 C ILE B 30 23.422 -21.752 -18.585 1.00 32.63 C ATOM 1589 O ILE B 30 24.643 -21.656 -18.448 1.00 30.99 O ATOM 1590 CB ILE B 30 23.125 -24.258 -18.589 1.00 33.15 C ATOM 1591 CG1 ILE B 30 22.409 -25.425 -19.271 1.00 34.23 C ATOM 1592 CG2 ILE B 30 22.721 -24.173 -17.120 1.00 32.69 C ATOM 1593 CD1 ILE B 30 22.841 -26.792 -18.757 1.00 34.48 C ATOM 1594 H ILE B 30 24.232 -23.377 -20.883 1.00 0.00 H ATOM 1595 N LEU B 31 22.548 -20.878 -18.094 1.00 33.56 N ATOM 1596 CA LEU B 31 22.915 -19.680 -17.339 1.00 33.45 C ATOM 1597 C LEU B 31 23.775 -18.672 -18.100 1.00 32.60 C ATOM 1598 O LEU B 31 24.331 -17.772 -17.475 1.00 32.11 O ATOM 1599 CB LEU B 31 23.540 -20.051 -15.963 1.00 33.80 C ATOM 1600 CG LEU B 31 22.493 -19.929 -14.837 1.00 36.37 C ATOM 1601 CD1 LEU B 31 21.464 -21.047 -14.902 1.00 37.68 C ATOM 1602 CD2 LEU B 31 23.108 -19.868 -13.475 1.00 36.53 C ATOM 1603 H LEU B 31 21.537 -21.058 -18.258 1.00 0.00 H ATOM 1604 N THR B 32 23.845 -18.777 -19.430 1.00 33.06 N ATOM 1605 CA THR B 32 24.500 -17.739 -20.239 1.00 32.92 C ATOM 1606 C THR B 32 23.713 -16.448 -20.047 1.00 33.64 C ATOM 1607 O THR B 32 22.494 -16.471 -19.949 1.00 32.58 O ATOM 1608 CB THR B 32 24.566 -18.117 -21.715 1.00 33.40 C ATOM 1609 OG1 THR B 32 23.287 -18.577 -22.149 1.00 34.14 O ATOM 1610 CG2 THR B 32 25.580 -19.250 -21.938 1.00 33.14 C ATOM 1611 HG1 THR B 32 23.333 -18.821 -23.107 1.00 0.00 H ATOM 1612 H THR B 32 23.430 -19.606 -19.900 1.00 0.00 H ATOM 1613 N ASP B 33 24.415 -15.332 -19.920 1.00 32.94 N ATOM 1614 CA ASP B 33 23.750 -14.094 -19.555 1.00 33.97 C ATOM 1615 C ASP B 33 24.107 -12.913 -20.442 1.00 33.67 C ATOM 1616 O ASP B 33 23.739 -11.795 -20.143 1.00 33.60 O ATOM 1617 CB ASP B 33 23.995 -13.791 -18.078 1.00 33.95 C ATOM 1618 CG ASP B 33 25.462 -13.730 -17.724 1.00 34.65 C ATOM 1619 OD1 ASP B 33 26.334 -13.750 -18.619 1.00 34.68 O ATOM 1620 OD2 ASP B 33 25.767 -13.660 -16.526 1.00 35.73 O ATOM 1621 H ASP B 33 25.442 -15.343 -20.082 1.00 0.00 H ATOM 1622 N VAL B 34 24.825 -13.166 -21.528 1.00 32.33 N ATOM 1623 CA VAL B 34 25.143 -12.135 -22.466 1.00 32.71 C ATOM 1624 C VAL B 34 25.326 -12.733 -23.846 1.00 32.60 C ATOM 1625 O VAL B 34 25.761 -13.903 -23.996 1.00 31.55 O ATOM 1626 CB VAL B 34 26.376 -11.302 -22.015 1.00 31.71 C ATOM 1627 CG1 VAL B 34 27.671 -12.091 -22.162 1.00 31.51 C ATOM 1628 CG2 VAL B 34 26.461 -9.997 -22.787 1.00 31.95 C ATOM 1629 H VAL B 34 25.164 -14.134 -21.701 1.00 0.00 H ATOM 1630 N VAL B 35 24.946 -11.946 -24.847 1.00 32.90 N ATOM 1631 CA VAL B 35 25.293 -12.236 -26.226 1.00 33.93 C ATOM 1632 C VAL B 35 26.272 -11.168 -26.706 1.00 32.76 C ATOM 1633 O VAL B 35 25.986 -9.972 -26.593 1.00 32.66 O ATOM 1634 CB VAL B 35 24.054 -12.248 -27.135 1.00 36.11 C ATOM 1635 CG1 VAL B 35 24.443 -12.669 -28.555 1.00 37.24 C ATOM 1636 CG2 VAL B 35 23.004 -13.183 -26.567 1.00 37.67 C ATOM 1637 H VAL B 35 24.383 -11.097 -24.636 1.00 0.00 H ATOM 1638 N ILE B 36 27.424 -11.601 -27.200 1.00 32.07 N ATOM 1639 CA ILE B 36 28.409 -10.709 -27.818 1.00 32.08 C ATOM 1640 C ILE B 36 28.193 -10.752 -29.330 1.00 33.55 C ATOM 1641 O ILE B 36 28.222 -11.837 -29.947 1.00 33.45 O ATOM 1642 CB ILE B 36 29.857 -11.120 -27.485 1.00 31.52 C ATOM 1643 CG1 ILE B 36 30.031 -11.317 -25.973 1.00 31.14 C ATOM 1644 CG2 ILE B 36 30.847 -10.079 -28.020 1.00 31.93 C ATOM 1645 CD1 ILE B 36 29.657 -10.118 -25.104 1.00 31.28 C ATOM 1646 H ILE B 36 27.638 -12.617 -27.147 1.00 0.00 H ATOM 1647 N VAL B 37 27.947 -9.582 -29.923 1.00 33.69 N ATOM 1648 CA VAL B 37 27.712 -9.467 -31.347 1.00 35.46 C ATOM 1649 C VAL B 37 28.958 -8.887 -32.043 1.00 36.42 C ATOM 1650 O VAL B 37 29.449 -7.803 -31.684 1.00 36.06 O ATOM 1651 CB VAL B 37 26.456 -8.615 -31.648 1.00 36.56 C ATOM 1652 CG1 VAL B 37 26.156 -8.572 -33.144 1.00 38.06 C ATOM 1653 CG2 VAL B 37 25.250 -9.159 -30.889 1.00 37.02 C ATOM 1654 H VAL B 37 27.923 -8.721 -29.341 1.00 0.00 H ATOM 1655 N VAL B 38 29.460 -9.621 -33.032 1.00 37.17 N ATOM 1656 CA VAL B 38 30.583 -9.187 -33.862 1.00 39.77 C ATOM 1657 C VAL B 38 30.089 -9.279 -35.303 1.00 42.99 C ATOM 1658 O VAL B 38 29.999 -10.374 -35.873 1.00 42.87 O ATOM 1659 CB VAL B 38 31.826 -10.061 -33.655 1.00 39.70 C ATOM 1660 CG1 VAL B 38 32.999 -9.512 -34.457 1.00 40.96 C ATOM 1661 CG2 VAL B 38 32.182 -10.146 -32.184 1.00 39.04 C ATOM 1662 H VAL B 38 29.033 -10.549 -33.225 1.00 0.00 H ATOM 1663 N SER B 39 29.743 -8.122 -35.859 1.00 46.00 N ATOM 1664 CA SER B 39 29.092 -8.000 -37.175 1.00 50.92 C ATOM 1665 C SER B 39 27.826 -8.851 -37.243 1.00 52.18 C ATOM 1666 O SER B 39 26.925 -8.646 -36.444 1.00 52.61 O ATOM 1667 CB SER B 39 30.080 -8.276 -38.306 1.00 53.57 C ATOM 1668 OG SER B 39 31.080 -7.279 -38.297 1.00 56.22 O ATOM 1669 HG SER B 39 31.724 -7.453 -39.029 1.00 0.00 H ATOM 1670 H SER B 39 29.944 -7.248 -35.332 1.00 0.00 H ATOM 1671 N ARG B 40 27.739 -9.825 -38.138 1.00 54.87 N ATOM 1672 CA ARG B 40 26.507 -10.619 -38.190 1.00 57.92 C ATOM 1673 C ARG B 40 26.466 -11.695 -37.083 1.00 54.99 C ATOM 1674 O ARG B 40 25.393 -12.163 -36.729 1.00 56.66 O ATOM 1675 CB ARG B 40 26.310 -11.211 -39.592 1.00 61.25 C ATOM 1676 CG ARG B 40 26.090 -10.138 -40.659 1.00 63.34 C ATOM 1677 CD ARG B 40 26.135 -10.705 -42.072 1.00 65.02 C ATOM 1678 NE ARG B 40 25.522 -9.791 -43.031 1.00 68.05 N ATOM 1679 CZ ARG B 40 24.204 -9.606 -43.205 1.00 70.44 C ATOM 1680 NH1 ARG B 40 23.308 -10.283 -42.481 1.00 70.63 N ATOM 1681 NH2 ARG B 40 23.770 -8.732 -44.119 1.00 71.22 N ATOM 1682 HE ARG B 40 26.163 -9.234 -43.632 1.00 0.00 H ATOM 1683 HH12 ARG B 40 22.291 -10.125 -42.632 1.00 0.00 H ATOM 1684 HH11 ARG B 40 23.627 -10.968 -41.767 1.00 0.00 H ATOM 1685 HH22 ARG B 40 22.749 -8.587 -44.256 1.00 0.00 H ATOM 1686 HH21 ARG B 40 24.453 -8.198 -44.693 1.00 0.00 H ATOM 1687 H ARG B 40 28.526 -10.022 -38.788 1.00 0.00 H ATOM 1688 N GLU B 41 27.613 -12.014 -36.488 1.00 51.53 N ATOM 1689 CA GLU B 41 27.746 -13.207 -35.647 1.00 49.43 C ATOM 1690 C GLU B 41 27.431 -12.946 -34.179 1.00 46.13 C ATOM 1691 O GLU B 41 27.863 -11.937 -33.627 1.00 45.07 O ATOM 1692 CB GLU B 41 29.164 -13.756 -35.753 1.00 50.78 C ATOM 1693 CG GLU B 41 29.674 -13.974 -37.171 1.00 54.71 C ATOM 1694 CD GLU B 41 28.805 -14.917 -37.987 1.00 57.47 C ATOM 1695 OE1 GLU B 41 28.651 -16.088 -37.573 1.00 58.98 O ATOM 1696 OE2 GLU B 41 28.297 -14.483 -39.050 1.00 61.58 O ATOM 1697 H GLU B 41 28.440 -11.398 -36.624 1.00 0.00 H ATOM 1698 N GLN B 42 26.702 -13.871 -33.555 1.00 43.29 N ATOM 1699 CA GLN B 42 26.329 -13.805 -32.155 1.00 41.56 C ATOM 1700 C GLN B 42 27.085 -14.882 -31.386 1.00 39.27 C ATOM 1701 O GLN B 42 27.233 -16.003 -31.875 1.00 38.41 O ATOM 1702 CB GLN B 42 24.830 -14.051 -32.002 1.00 43.56 C ATOM 1703 CG GLN B 42 23.958 -13.002 -32.670 1.00 46.04 C ATOM 1704 CD GLN B 42 22.475 -13.177 -32.371 1.00 48.22 C ATOM 1705 OE1 GLN B 42 22.087 -13.884 -31.446 1.00 50.55 O ATOM 1706 NE2 GLN B 42 21.640 -12.528 -33.161 1.00 51.23 N ATOM 1707 HE22 GLN B 42 22.008 -11.938 -33.935 1.00 0.00 H ATOM 1708 HE21 GLN B 42 20.614 -12.606 -33.010 1.00 0.00 H ATOM 1709 H GLN B 42 26.380 -14.692 -34.107 1.00 0.00 H ATOM 1710 N PHE B 43 27.550 -14.550 -30.190 1.00 35.83 N ATOM 1711 CA PHE B 43 28.245 -15.507 -29.316 1.00 35.17 C ATOM 1712 C PHE B 43 27.671 -15.433 -27.911 1.00 35.26 C ATOM 1713 O PHE B 43 27.744 -14.372 -27.261 1.00 34.04 O ATOM 1714 CB PHE B 43 29.729 -15.188 -29.248 1.00 34.12 C ATOM 1715 CG PHE B 43 30.409 -15.223 -30.567 1.00 34.72 C ATOM 1716 CD1 PHE B 43 30.483 -14.076 -31.349 1.00 35.33 C ATOM 1717 CD2 PHE B 43 30.968 -16.407 -31.046 1.00 35.29 C ATOM 1718 CE1 PHE B 43 31.112 -14.106 -32.580 1.00 36.08 C ATOM 1719 CE2 PHE B 43 31.597 -16.444 -32.275 1.00 35.84 C ATOM 1720 CZ PHE B 43 31.679 -15.290 -33.042 1.00 36.62 C ATOM 1721 H PHE B 43 27.418 -13.574 -29.856 1.00 0.00 H ATOM 1722 N ARG B 44 27.094 -16.538 -27.427 1.00 35.21 N ATOM 1723 CA ARG B 44 26.517 -16.543 -26.085 1.00 35.42 C ATOM 1724 C ARG B 44 27.628 -16.870 -25.076 1.00 33.42 C ATOM 1725 O ARG B 44 28.526 -17.658 -25.363 1.00 32.24 O ATOM 1726 CB ARG B 44 25.321 -17.503 -26.003 1.00 39.48 C ATOM 1727 CG ARG B 44 24.138 -17.113 -26.929 1.00 43.33 C ATOM 1728 CD ARG B 44 22.763 -17.591 -26.438 1.00 48.05 C ATOM 1729 NE ARG B 44 22.560 -17.152 -25.044 1.00 51.28 N ATOM 1730 CZ ARG B 44 21.884 -16.076 -24.624 1.00 54.93 C ATOM 1731 NH1 ARG B 44 21.198 -15.302 -25.463 1.00 59.23 N ATOM 1732 NH2 ARG B 44 21.852 -15.795 -23.319 1.00 55.38 N ATOM 1733 HE ARG B 44 22.990 -17.745 -24.306 1.00 0.00 H ATOM 1734 HH12 ARG B 44 20.684 -14.473 -25.103 1.00 0.00 H ATOM 1735 HH11 ARG B 44 21.177 -15.527 -26.478 1.00 0.00 H ATOM 1736 HH22 ARG B 44 21.330 -14.962 -22.979 1.00 0.00 H ATOM 1737 HH21 ARG B 44 22.349 -16.409 -22.642 1.00 0.00 H ATOM 1738 H ARG B 44 27.056 -17.399 -28.009 1.00 0.00 H ATOM 1739 N ALA B 45 27.595 -16.226 -23.916 1.00 31.49 N ATOM 1740 CA ALA B 45 28.610 -16.454 -22.889 1.00 30.84 C ATOM 1741 C ALA B 45 28.144 -16.117 -21.471 1.00 29.92 C ATOM 1742 O ALA B 45 27.030 -15.623 -21.247 1.00 29.51 O ATOM 1743 CB ALA B 45 29.898 -15.687 -23.235 1.00 30.66 C ATOM 1744 H ALA B 45 26.831 -15.545 -23.734 1.00 0.00 H ATOM 1745 N HIS B 46 29.028 -16.396 -20.522 1.00 29.01 N ATOM 1746 CA HIS B 46 28.851 -16.001 -19.134 1.00 28.72 C ATOM 1747 C HIS B 46 29.716 -14.781 -18.871 1.00 28.73 C ATOM 1748 O HIS B 46 30.944 -14.830 -19.068 1.00 27.20 O ATOM 1749 CB HIS B 46 29.279 -17.142 -18.223 1.00 28.90 C ATOM 1750 CG HIS B 46 28.546 -18.415 -18.479 1.00 29.15 C ATOM 1751 ND1 HIS B 46 29.083 -19.443 -19.218 1.00 29.13 N ATOM 1752 CD2 HIS B 46 27.301 -18.812 -18.130 1.00 29.68 C ATOM 1753 CE1 HIS B 46 28.214 -20.432 -19.289 1.00 29.41 C ATOM 1754 NE2 HIS B 46 27.129 -20.084 -18.620 1.00 29.37 N ATOM 1755 H HIS B 46 29.887 -16.921 -20.783 1.00 0.00 H ATOM 1756 N LYS B 47 29.082 -13.691 -18.430 1.00 28.42 N ATOM 1757 CA LYS B 47 29.815 -12.469 -18.100 1.00 29.08 C ATOM 1758 C LYS B 47 31.038 -12.688 -17.214 1.00 27.68 C ATOM 1759 O LYS B 47 32.092 -12.114 -17.469 1.00 27.28 O ATOM 1760 CB LYS B 47 28.894 -11.458 -17.418 1.00 29.11 C ATOM 1761 CG LYS B 47 27.956 -10.795 -18.377 1.00 29.90 C ATOM 1762 CD LYS B 47 26.948 -9.899 -17.653 1.00 30.00 C ATOM 1763 CE LYS B 47 25.902 -9.416 -18.630 1.00 30.40 C ATOM 1764 NZ LYS B 47 25.085 -8.343 -18.016 1.00 30.82 N ATOM 1765 HZ1 LYS B 47 24.613 -8.712 -17.166 1.00 0.00 H ATOM 1766 HZ2 LYS B 47 25.701 -7.547 -17.754 1.00 0.00 H ATOM 1767 HZ3 LYS B 47 24.370 -8.020 -18.698 1.00 0.00 H ATOM 1768 H LYS B 47 28.048 -13.712 -18.319 1.00 0.00 H ATOM 1769 N THR B 48 30.893 -13.497 -16.173 1.00 27.19 N ATOM 1770 CA THR B 48 31.998 -13.722 -15.231 1.00 27.83 C ATOM 1771 C THR B 48 33.221 -14.351 -15.866 1.00 26.60 C ATOM 1772 O THR B 48 34.340 -14.007 -15.508 1.00 26.58 O ATOM 1773 CB THR B 48 31.572 -14.557 -14.019 1.00 29.42 C ATOM 1774 OG1 THR B 48 30.898 -15.705 -14.459 1.00 31.37 O ATOM 1775 CG2 THR B 48 30.647 -13.770 -13.131 1.00 31.17 C ATOM 1776 HG1 THR B 48 30.623 -16.245 -13.676 1.00 0.00 H ATOM 1777 H THR B 48 29.984 -13.979 -16.021 1.00 0.00 H ATOM 1778 N VAL B 49 33.014 -15.280 -16.793 1.00 26.22 N ATOM 1779 CA VAL B 49 34.122 -15.892 -17.522 1.00 25.89 C ATOM 1780 C VAL B 49 34.798 -14.853 -18.390 1.00 25.92 C ATOM 1781 O VAL B 49 36.012 -14.759 -18.390 1.00 25.93 O ATOM 1782 CB VAL B 49 33.655 -17.100 -18.374 1.00 25.94 C ATOM 1783 CG1 VAL B 49 34.790 -17.623 -19.240 1.00 26.73 C ATOM 1784 CG2 VAL B 49 33.132 -18.200 -17.459 1.00 25.99 C ATOM 1785 H VAL B 49 32.040 -15.578 -17.005 1.00 0.00 H ATOM 1786 N LEU B 50 34.008 -14.036 -19.093 1.00 25.70 N ATOM 1787 CA LEU B 50 34.592 -12.980 -19.935 1.00 27.23 C ATOM 1788 C LEU B 50 35.448 -11.992 -19.096 1.00 27.23 C ATOM 1789 O LEU B 50 36.558 -11.627 -19.500 1.00 27.25 O ATOM 1790 CB LEU B 50 33.489 -12.209 -20.677 1.00 27.24 C ATOM 1791 CG LEU B 50 32.569 -13.000 -21.616 1.00 27.93 C ATOM 1792 CD1 LEU B 50 31.548 -12.098 -22.278 1.00 28.52 C ATOM 1793 CD2 LEU B 50 33.392 -13.690 -22.683 1.00 28.57 C ATOM 1794 H LEU B 50 32.975 -14.147 -19.045 1.00 0.00 H ATOM 1795 N MET B 51 34.932 -11.602 -17.933 1.00 28.11 N ATOM 1796 CA MET B 51 35.608 -10.663 -17.038 1.00 29.26 C ATOM 1797 C MET B 51 36.881 -11.281 -16.449 1.00 29.01 C ATOM 1798 O MET B 51 37.847 -10.587 -16.156 1.00 28.02 O ATOM 1799 CB MET B 51 34.671 -10.278 -15.889 1.00 30.67 C ATOM 1800 CG MET B 51 33.426 -9.517 -16.308 1.00 31.51 C ATOM 1801 SD MET B 51 32.362 -9.310 -14.883 1.00 33.03 S ATOM 1802 CE MET B 51 33.166 -7.937 -14.077 1.00 33.45 C ATOM 1803 H MET B 51 34.007 -11.982 -17.648 1.00 0.00 H ATOM 1804 N ALA B 52 36.850 -12.599 -16.257 1.00 28.99 N ATOM 1805 CA ALA B 52 37.999 -13.346 -15.763 1.00 29.44 C ATOM 1806 C ALA B 52 39.101 -13.559 -16.796 1.00 30.00 C ATOM 1807 O ALA B 52 40.211 -13.999 -16.416 1.00 29.87 O ATOM 1808 CB ALA B 52 37.555 -14.684 -15.207 1.00 29.38 C ATOM 1809 H ALA B 52 35.972 -13.114 -16.468 1.00 0.00 H ATOM 1810 N CYS B 53 38.827 -13.255 -18.073 1.00 29.35 N ATOM 1811 CA CYS B 53 39.830 -13.440 -19.126 1.00 30.65 C ATOM 1812 C CYS B 53 40.218 -12.189 -19.903 1.00 30.43 C ATOM 1813 O CYS B 53 41.245 -12.201 -20.549 1.00 30.48 O ATOM 1814 CB CYS B 53 39.351 -14.463 -20.130 1.00 30.64 C ATOM 1815 SG CYS B 53 38.936 -16.079 -19.453 1.00 31.50 S ATOM 1816 H CYS B 53 37.888 -12.882 -18.320 1.00 0.00 H ATOM 1817 N SER B 54 39.398 -11.139 -19.845 1.00 29.93 N ATOM 1818 CA SER B 54 39.550 -9.952 -20.716 1.00 29.67 C ATOM 1819 C SER B 54 39.447 -8.680 -19.901 1.00 29.74 C ATOM 1820 O SER B 54 38.472 -8.489 -19.157 1.00 28.96 O ATOM 1821 CB SER B 54 38.430 -9.947 -21.759 1.00 29.71 C ATOM 1822 OG SER B 54 38.323 -8.717 -22.419 1.00 29.75 O ATOM 1823 HG SER B 54 39.175 -8.517 -22.882 1.00 0.00 H ATOM 1824 H SER B 54 38.618 -11.155 -19.158 1.00 0.00 H ATOM 1825 N GLY B 55 40.438 -7.811 -20.034 1.00 30.30 N ATOM 1826 CA GLY B 55 40.366 -6.476 -19.438 1.00 30.76 C ATOM 1827 C GLY B 55 39.227 -5.624 -19.976 1.00 30.40 C ATOM 1828 O GLY B 55 38.637 -4.841 -19.225 1.00 30.46 O ATOM 1829 H GLY B 55 41.285 -8.083 -20.573 1.00 0.00 H ATOM 1830 N LEU B 56 38.916 -5.764 -21.265 1.00 30.57 N ATOM 1831 CA LEU B 56 37.792 -5.022 -21.858 1.00 31.18 C ATOM 1832 C LEU B 56 36.474 -5.448 -21.254 1.00 30.30 C ATOM 1833 O LEU B 56 35.668 -4.597 -20.862 1.00 29.83 O ATOM 1834 CB LEU B 56 37.727 -5.175 -23.381 1.00 32.21 C ATOM 1835 CG LEU B 56 36.646 -4.339 -24.084 1.00 33.42 C ATOM 1836 CD1 LEU B 56 36.843 -2.842 -23.856 1.00 35.26 C ATOM 1837 CD2 LEU B 56 36.589 -4.630 -25.560 1.00 34.04 C ATOM 1838 H LEU B 56 39.476 -6.407 -21.860 1.00 0.00 H ATOM 1839 N PHE B 57 36.225 -6.756 -21.184 1.00 29.29 N ATOM 1840 CA PHE B 57 34.975 -7.232 -20.591 1.00 29.17 C ATOM 1841 C PHE B 57 34.891 -6.941 -19.092 1.00 29.20 C ATOM 1842 O PHE B 57 33.817 -6.602 -18.599 1.00 29.40 O ATOM 1843 CB PHE B 57 34.714 -8.714 -20.916 1.00 29.16 C ATOM 1844 CG PHE B 57 34.340 -8.964 -22.357 1.00 29.12 C ATOM 1845 CD1 PHE B 57 33.252 -8.323 -22.927 1.00 29.93 C ATOM 1846 CD2 PHE B 57 35.054 -9.876 -23.129 1.00 30.06 C ATOM 1847 CE1 PHE B 57 32.890 -8.574 -24.248 1.00 30.68 C ATOM 1848 CE2 PHE B 57 34.688 -10.135 -24.449 1.00 30.16 C ATOM 1849 CZ PHE B 57 33.623 -9.473 -25.007 1.00 30.07 C ATOM 1850 H PHE B 57 36.919 -7.438 -21.551 1.00 0.00 H ATOM 1851 N TYR B 58 36.010 -7.018 -18.368 1.00 29.62 N ATOM 1852 CA TYR B 58 36.030 -6.545 -16.983 1.00 30.81 C ATOM 1853 C TYR B 58 35.523 -5.084 -16.877 1.00 31.75 C ATOM 1854 O TYR B 58 34.653 -4.774 -16.074 1.00 31.35 O ATOM 1855 CB TYR B 58 37.426 -6.660 -16.364 1.00 31.55 C ATOM 1856 CG TYR B 58 37.491 -5.981 -15.017 1.00 33.02 C ATOM 1857 CD1 TYR B 58 36.996 -6.593 -13.872 1.00 33.71 C ATOM 1858 CD2 TYR B 58 38.001 -4.693 -14.903 1.00 34.72 C ATOM 1859 CE1 TYR B 58 37.015 -5.948 -12.637 1.00 34.79 C ATOM 1860 CE2 TYR B 58 38.032 -4.041 -13.680 1.00 36.47 C ATOM 1861 CZ TYR B 58 37.537 -4.672 -12.554 1.00 36.56 C ATOM 1862 OH TYR B 58 37.595 -4.011 -11.342 1.00 38.39 O ATOM 1863 HH TYR B 58 38.539 -3.809 -11.122 1.00 0.00 H ATOM 1864 H TYR B 58 36.873 -7.416 -18.791 1.00 0.00 H ATOM 1865 N SER B 59 36.056 -4.209 -17.713 1.00 32.92 N ATOM 1866 CA SER B 59 35.631 -2.799 -17.689 1.00 34.51 C ATOM 1867 C SER B 59 34.174 -2.605 -18.064 1.00 34.89 C ATOM 1868 O SER B 59 33.453 -1.836 -17.395 1.00 35.68 O ATOM 1869 CB SER B 59 36.528 -1.950 -18.583 1.00 35.92 C ATOM 1870 OG SER B 59 37.835 -2.018 -18.052 1.00 36.94 O ATOM 1871 HG SER B 59 37.833 -1.666 -17.127 1.00 0.00 H ATOM 1872 H SER B 59 36.780 -4.519 -18.392 1.00 0.00 H ATOM 1873 N ILE B 60 33.720 -3.309 -19.092 1.00 33.89 N ATOM 1874 CA ILE B 60 32.340 -3.171 -19.540 1.00 34.63 C ATOM 1875 C ILE B 60 31.368 -3.584 -18.433 1.00 34.04 C ATOM 1876 O ILE B 60 30.420 -2.871 -18.142 1.00 33.98 O ATOM 1877 CB ILE B 60 32.064 -3.981 -20.830 1.00 34.50 C ATOM 1878 CG1 ILE B 60 32.794 -3.344 -22.008 1.00 35.39 C ATOM 1879 CG2 ILE B 60 30.555 -4.065 -21.121 1.00 35.13 C ATOM 1880 CD1 ILE B 60 33.027 -4.283 -23.173 1.00 35.47 C ATOM 1881 H ILE B 60 34.356 -3.968 -19.585 1.00 0.00 H ATOM 1882 N PHE B 61 31.606 -4.735 -17.818 1.00 33.15 N ATOM 1883 CA PHE B 61 30.649 -5.287 -16.878 1.00 33.70 C ATOM 1884 C PHE B 61 30.826 -4.748 -15.463 1.00 34.07 C ATOM 1885 O PHE B 61 30.047 -5.109 -14.605 1.00 35.85 O ATOM 1886 CB PHE B 61 30.653 -6.838 -16.928 1.00 32.90 C ATOM 1887 CG PHE B 61 30.302 -7.390 -18.289 1.00 33.11 C ATOM 1888 CD1 PHE B 61 29.119 -7.021 -18.912 1.00 34.00 C ATOM 1889 CD2 PHE B 61 31.165 -8.235 -18.961 1.00 33.15 C ATOM 1890 CE1 PHE B 61 28.816 -7.488 -20.181 1.00 33.94 C ATOM 1891 CE2 PHE B 61 30.859 -8.709 -20.217 1.00 33.33 C ATOM 1892 CZ PHE B 61 29.688 -8.330 -20.830 1.00 33.29 C ATOM 1893 H PHE B 61 32.490 -5.248 -18.012 1.00 0.00 H ATOM 1894 N THR B 62 31.828 -3.899 -15.216 1.00 34.00 N ATOM 1895 CA THR B 62 31.899 -3.121 -13.982 1.00 34.96 C ATOM 1896 C THR B 62 31.427 -1.663 -14.171 1.00 36.07 C ATOM 1897 O THR B 62 31.439 -0.908 -13.225 1.00 36.35 O ATOM 1898 CB THR B 62 33.314 -3.097 -13.370 1.00 35.42 C ATOM 1899 OG1 THR B 62 34.261 -2.697 -14.360 1.00 34.96 O ATOM 1900 CG2 THR B 62 33.680 -4.479 -12.805 1.00 35.21 C ATOM 1901 HG1 THR B 62 34.240 -3.339 -15.113 1.00 0.00 H ATOM 1902 H THR B 62 32.581 -3.789 -15.925 1.00 0.00 H ATOM 1903 N ASP B 63 31.034 -1.288 -15.381 1.00 36.09 N ATOM 1904 CA ASP B 63 30.473 0.029 -15.645 1.00 38.11 C ATOM 1905 C ASP B 63 29.009 0.019 -15.199 1.00 39.32 C ATOM 1906 O ASP B 63 28.238 -0.838 -15.646 1.00 37.00 O ATOM 1907 CB ASP B 63 30.564 0.340 -17.125 1.00 38.22 C ATOM 1908 CG ASP B 63 29.977 1.691 -17.467 1.00 40.72 C ATOM 1909 OD1 ASP B 63 30.725 2.666 -17.383 1.00 42.64 O ATOM 1910 OD2 ASP B 63 28.772 1.777 -17.789 1.00 40.49 O ATOM 1911 H ASP B 63 31.130 -1.959 -16.170 1.00 0.00 H ATOM 1912 N GLN B 64 28.626 1.003 -14.378 1.00 41.92 N ATOM 1913 CA GLN B 64 27.277 1.056 -13.809 1.00 44.57 C ATOM 1914 C GLN B 64 26.182 1.077 -14.877 1.00 44.04 C ATOM 1915 O GLN B 64 25.121 0.510 -14.667 1.00 44.61 O ATOM 1916 CB GLN B 64 27.119 2.252 -12.879 1.00 48.31 C ATOM 1917 CG GLN B 64 27.957 2.192 -11.611 1.00 51.04 C ATOM 1918 CD GLN B 64 28.047 3.535 -10.877 1.00 55.01 C ATOM 1919 OE1 GLN B 64 28.991 3.766 -10.120 1.00 58.01 O ATOM 1920 NE2 GLN B 64 27.060 4.424 -11.090 1.00 56.70 N ATOM 1921 HE22 GLN B 64 26.280 4.190 -11.737 1.00 0.00 H ATOM 1922 HE21 GLN B 64 27.077 5.345 -10.607 1.00 0.00 H ATOM 1923 H GLN B 64 29.306 1.752 -14.137 1.00 0.00 H ATOM 1924 N LEU B 65 26.444 1.690 -16.031 1.00 43.68 N ATOM 1925 CA LEU B 65 25.451 1.719 -17.103 1.00 43.92 C ATOM 1926 C LEU B 65 25.386 0.409 -17.870 1.00 42.84 C ATOM 1927 O LEU B 65 24.312 -0.031 -18.259 1.00 43.93 O ATOM 1928 CB LEU B 65 25.734 2.858 -18.085 1.00 44.96 C ATOM 1929 CG LEU B 65 24.684 3.080 -19.180 1.00 46.61 C ATOM 1930 CD1 LEU B 65 23.333 3.450 -18.586 1.00 47.39 C ATOM 1931 CD2 LEU B 65 25.157 4.157 -20.150 1.00 48.20 C ATOM 1932 H LEU B 65 27.365 2.153 -16.170 1.00 0.00 H ATOM 1933 N LYS B 66 26.540 -0.186 -18.128 1.00 40.36 N ATOM 1934 CA LYS B 66 26.627 -1.304 -19.054 1.00 39.44 C ATOM 1935 C LYS B 66 26.536 -2.676 -18.379 1.00 38.60 C ATOM 1936 O LYS B 66 26.330 -3.657 -19.068 1.00 37.20 O ATOM 1937 CB LYS B 66 27.926 -1.223 -19.851 1.00 39.25 C ATOM 1938 CG LYS B 66 27.952 -0.045 -20.809 1.00 40.24 C ATOM 1939 CD LYS B 66 29.348 0.335 -21.262 1.00 39.67 C ATOM 1940 CE LYS B 66 29.273 1.705 -21.928 1.00 40.81 C ATOM 1941 NZ LYS B 66 30.593 2.171 -22.384 1.00 40.79 N ATOM 1942 HZ1 LYS B 66 31.235 2.241 -21.569 1.00 0.00 H ATOM 1943 HZ2 LYS B 66 30.979 1.495 -23.074 1.00 0.00 H ATOM 1944 HZ3 LYS B 66 30.494 3.105 -22.830 1.00 0.00 H ATOM 1945 H LYS B 66 27.403 0.154 -17.658 1.00 0.00 H ATOM 1946 N CYS B 67 26.675 -2.740 -17.057 1.00 39.68 N ATOM 1947 CA CYS B 67 26.810 -4.029 -16.359 1.00 40.47 C ATOM 1948 C CYS B 67 25.578 -4.932 -16.497 1.00 41.46 C ATOM 1949 O CYS B 67 25.717 -6.157 -16.508 1.00 40.26 O ATOM 1950 CB CYS B 67 27.169 -3.830 -14.882 1.00 40.17 C ATOM 1951 SG CYS B 67 25.877 -3.029 -13.913 1.00 45.56 S ATOM 1952 H CYS B 67 26.689 -1.859 -16.504 1.00 0.00 H ATOM 1953 N ASN B 68 24.401 -4.333 -16.648 1.00 43.41 N ATOM 1954 CA ASN B 68 23.135 -5.085 -16.815 1.00 47.43 C ATOM 1955 C ASN B 68 22.705 -5.378 -18.244 1.00 46.88 C ATOM 1956 O ASN B 68 21.647 -5.982 -18.447 1.00 49.40 O ATOM 1957 CB ASN B 68 21.976 -4.318 -16.160 1.00 50.74 C ATOM 1958 CG ASN B 68 22.161 -4.168 -14.688 1.00 53.18 C ATOM 1959 OD1 ASN B 68 22.577 -5.106 -14.009 1.00 56.53 O ATOM 1960 ND2 ASN B 68 21.869 -2.983 -14.178 1.00 56.90 N ATOM 1961 HD22 ASN B 68 21.520 -2.223 -14.796 1.00 0.00 H ATOM 1962 HD21 ASN B 68 21.988 -2.812 -13.159 1.00 0.00 H ATOM 1963 H ASN B 68 24.367 -3.294 -16.649 1.00 0.00 H ATOM 1964 N LEU B 69 23.474 -4.941 -19.231 1.00 44.72 N ATOM 1965 CA LEU B 69 23.093 -5.162 -20.622 1.00 43.27 C ATOM 1966 C LEU B 69 23.207 -6.650 -20.926 1.00 41.31 C ATOM 1967 O LEU B 69 24.159 -7.287 -20.484 1.00 39.80 O ATOM 1968 CB LEU B 69 24.000 -4.388 -21.561 1.00 43.23 C ATOM 1969 CG LEU B 69 24.010 -2.873 -21.426 1.00 44.94 C ATOM 1970 CD1 LEU B 69 25.004 -2.275 -22.397 1.00 44.90 C ATOM 1971 CD2 LEU B 69 22.620 -2.301 -21.666 1.00 47.06 C ATOM 1972 H LEU B 69 24.357 -4.436 -19.012 1.00 0.00 H ATOM 1973 N SER B 70 22.240 -7.193 -21.663 1.00 40.96 N ATOM 1974 CA SER B 70 22.287 -8.606 -22.091 1.00 41.92 C ATOM 1975 C SER B 70 22.848 -8.815 -23.511 1.00 40.54 C ATOM 1976 O SER B 70 22.967 -9.945 -23.971 1.00 41.05 O ATOM 1977 CB SER B 70 20.899 -9.245 -21.938 1.00 42.91 C ATOM 1978 OG SER B 70 19.963 -8.519 -22.681 1.00 46.32 O ATOM 1979 HG SER B 70 19.070 -8.934 -22.580 1.00 0.00 H ATOM 1980 H SER B 70 21.429 -6.606 -21.945 1.00 0.00 H ATOM 1981 N VAL B 71 23.193 -7.724 -24.190 1.00 40.14 N ATOM 1982 CA VAL B 71 23.772 -7.739 -25.524 1.00 39.43 C ATOM 1983 C VAL B 71 24.865 -6.659 -25.568 1.00 39.16 C ATOM 1984 O VAL B 71 24.645 -5.503 -25.158 1.00 38.07 O ATOM 1985 CB VAL B 71 22.727 -7.451 -26.633 1.00 41.70 C ATOM 1986 CG1 VAL B 71 23.350 -7.598 -28.027 1.00 41.89 C ATOM 1987 CG2 VAL B 71 21.524 -8.376 -26.495 1.00 42.46 C ATOM 1988 H VAL B 71 23.039 -6.800 -23.737 1.00 0.00 H ATOM 1989 N ILE B 72 26.042 -7.050 -26.040 1.00 37.42 N ATOM 1990 CA ILE B 72 27.151 -6.131 -26.230 1.00 36.96 C ATOM 1991 C ILE B 72 27.574 -6.231 -27.678 1.00 37.60 C ATOM 1992 O ILE B 72 27.861 -7.341 -28.187 1.00 35.14 O ATOM 1993 CB ILE B 72 28.357 -6.451 -25.313 1.00 35.64 C ATOM 1994 CG1 ILE B 72 27.978 -6.379 -23.836 1.00 35.37 C ATOM 1995 CG2 ILE B 72 29.515 -5.507 -25.611 1.00 36.76 C ATOM 1996 CD1 ILE B 72 27.531 -5.020 -23.301 1.00 36.26 C ATOM 1997 H ILE B 72 26.176 -8.052 -26.283 1.00 0.00 H ATOM 1998 N ASN B 73 27.639 -5.068 -28.332 1.00 37.99 N ATOM 1999 CA ASN B 73 28.080 -4.986 -29.718 1.00 39.97 C ATOM 2000 C ASN B 73 29.518 -4.567 -29.782 1.00 39.03 C ATOM 2001 O ASN B 73 29.861 -3.514 -29.282 1.00 40.26 O ATOM 2002 CB ASN B 73 27.217 -4.023 -30.523 1.00 43.61 C ATOM 2003 CG ASN B 73 26.399 -4.743 -31.535 1.00 47.57 C ATOM 2004 OD1 ASN B 73 26.918 -5.160 -32.588 1.00 50.83 O ATOM 2005 ND2 ASN B 73 25.124 -4.963 -31.213 1.00 50.33 N ATOM 2006 HD22 ASN B 73 24.742 -4.591 -30.320 1.00 0.00 H ATOM 2007 HD21 ASN B 73 24.512 -5.506 -31.855 1.00 0.00 H ATOM 2008 H ASN B 73 27.367 -4.195 -27.837 1.00 0.00 H ATOM 2009 N LEU B 74 30.368 -5.391 -30.378 1.00 37.07 N ATOM 2010 CA LEU B 74 31.759 -5.028 -30.527 1.00 37.33 C ATOM 2011 C LEU B 74 31.970 -4.293 -31.849 1.00 37.41 C ATOM 2012 O LEU B 74 31.096 -4.279 -32.723 1.00 36.57 O ATOM 2013 CB LEU B 74 32.656 -6.252 -30.444 1.00 38.09 C ATOM 2014 CG LEU B 74 32.569 -7.067 -29.138 1.00 38.04 C ATOM 2015 CD1 LEU B 74 33.656 -8.106 -29.151 1.00 37.93 C ATOM 2016 CD2 LEU B 74 32.682 -6.225 -27.884 1.00 38.53 C ATOM 2017 H LEU B 74 30.032 -6.306 -30.741 1.00 0.00 H ATOM 2018 N ASP B 75 33.131 -3.664 -31.956 1.00 37.60 N ATOM 2019 CA ASP B 75 33.574 -3.014 -33.184 1.00 39.61 C ATOM 2020 C ASP B 75 33.287 -3.960 -34.384 1.00 40.41 C ATOM 2021 O ASP B 75 33.795 -5.092 -34.393 1.00 37.97 O ATOM 2022 CB ASP B 75 35.068 -2.681 -33.073 1.00 40.08 C ATOM 2023 CG ASP B 75 35.578 -1.797 -34.206 1.00 42.61 C ATOM 2024 OD1 ASP B 75 35.043 -1.850 -35.333 1.00 43.25 O ATOM 2025 OD2 ASP B 75 36.539 -1.050 -33.943 1.00 42.93 O ATOM 2026 H ASP B 75 33.756 -3.632 -31.125 1.00 0.00 H ATOM 2027 N PRO B 76 32.466 -3.505 -35.366 1.00 42.05 N ATOM 2028 CA PRO B 76 32.139 -4.346 -36.536 1.00 43.34 C ATOM 2029 C PRO B 76 33.325 -4.750 -37.437 1.00 44.08 C ATOM 2030 O PRO B 76 33.158 -5.628 -38.277 1.00 43.89 O ATOM 2031 CB PRO B 76 31.117 -3.494 -37.325 1.00 44.28 C ATOM 2032 CG PRO B 76 31.321 -2.092 -36.847 1.00 44.33 C ATOM 2033 CD PRO B 76 31.692 -2.236 -35.394 1.00 43.16 C ATOM 2034 N GLU B 77 34.479 -4.113 -37.255 1.00 44.35 N ATOM 2035 CA GLU B 77 35.703 -4.503 -37.914 1.00 45.99 C ATOM 2036 C GLU B 77 36.491 -5.601 -37.214 1.00 44.10 C ATOM 2037 O GLU B 77 37.523 -6.002 -37.737 1.00 44.43 O ATOM 2038 CB GLU B 77 36.600 -3.292 -38.089 1.00 49.13 C ATOM 2039 CG GLU B 77 36.027 -2.303 -39.083 1.00 52.39 C ATOM 2040 CD GLU B 77 36.927 -1.110 -39.284 1.00 55.64 C ATOM 2041 OE1 GLU B 77 38.163 -1.268 -39.135 1.00 59.60 O ATOM 2042 OE2 GLU B 77 36.396 -0.018 -39.583 1.00 56.95 O ATOM 2043 H GLU B 77 34.500 -3.298 -36.609 1.00 0.00 H ATOM 2044 N ILE B 78 36.041 -6.069 -36.047 1.00 41.42 N ATOM 2045 CA ILE B 78 36.639 -7.237 -35.402 1.00 40.21 C ATOM 2046 C ILE B 78 36.272 -8.445 -36.243 1.00 39.06 C ATOM 2047 O ILE B 78 35.113 -8.614 -36.644 1.00 37.60 O ATOM 2048 CB ILE B 78 36.137 -7.443 -33.943 1.00 39.98 C ATOM 2049 CG1 ILE B 78 36.622 -6.313 -33.030 1.00 41.26 C ATOM 2050 CG2 ILE B 78 36.592 -8.784 -33.363 1.00 39.27 C ATOM 2051 CD1 ILE B 78 38.137 -6.129 -32.984 1.00 43.44 C ATOM 2052 H ILE B 78 35.243 -5.589 -35.584 1.00 0.00 H ATOM 2053 N ASN B 79 37.270 -9.288 -36.497 1.00 38.38 N ATOM 2054 CA ASN B 79 37.077 -10.492 -37.275 1.00 38.28 C ATOM 2055 C ASN B 79 36.321 -11.527 -36.403 1.00 36.52 C ATOM 2056 O ASN B 79 36.802 -11.898 -35.324 1.00 34.06 O ATOM 2057 CB ASN B 79 38.432 -10.994 -37.753 1.00 39.38 C ATOM 2058 CG ASN B 79 38.345 -12.295 -38.525 1.00 41.62 C ATOM 2059 OD1 ASN B 79 38.617 -13.365 -37.977 1.00 40.58 O ATOM 2060 ND2 ASN B 79 37.981 -12.211 -39.799 1.00 43.05 N ATOM 2061 HD22 ASN B 79 37.761 -11.284 -40.217 1.00 0.00 H ATOM 2062 HD21 ASN B 79 37.916 -13.072 -40.379 1.00 0.00 H ATOM 2063 H ASN B 79 38.217 -9.075 -36.125 1.00 0.00 H ATOM 2064 N PRO B 80 35.128 -11.972 -36.854 1.00 36.80 N ATOM 2065 CA PRO B 80 34.361 -12.918 -36.033 1.00 36.58 C ATOM 2066 C PRO B 80 35.108 -14.219 -35.722 1.00 36.58 C ATOM 2067 O PRO B 80 34.921 -14.775 -34.639 1.00 35.40 O ATOM 2068 CB PRO B 80 33.102 -13.219 -36.870 1.00 37.69 C ATOM 2069 CG PRO B 80 33.039 -12.187 -37.938 1.00 38.74 C ATOM 2070 CD PRO B 80 34.403 -11.568 -38.081 1.00 38.46 C ATOM 2071 N GLU B 81 35.921 -14.702 -36.658 1.00 37.15 N ATOM 2072 CA GLU B 81 36.674 -15.931 -36.425 1.00 37.95 C ATOM 2073 C GLU B 81 37.715 -15.707 -35.309 1.00 35.80 C ATOM 2074 O GLU B 81 37.844 -16.541 -34.436 1.00 34.35 O ATOM 2075 CB GLU B 81 37.328 -16.479 -37.700 1.00 40.47 C ATOM 2076 CG GLU B 81 37.754 -17.935 -37.534 1.00 43.18 C ATOM 2077 CD GLU B 81 38.687 -18.455 -38.620 1.00 47.51 C ATOM 2078 OE1 GLU B 81 39.305 -17.665 -39.377 1.00 50.33 O ATOM 2079 OE2 GLU B 81 38.827 -19.693 -38.697 1.00 50.54 O ATOM 2080 H GLU B 81 36.021 -14.200 -37.563 1.00 0.00 H ATOM 2081 N GLY B 82 38.408 -14.563 -35.332 1.00 35.58 N ATOM 2082 CA GLY B 82 39.353 -14.179 -34.273 1.00 34.51 C ATOM 2083 C GLY B 82 38.692 -14.171 -32.900 1.00 33.32 C ATOM 2084 O GLY B 82 39.242 -14.711 -31.921 1.00 32.40 O ATOM 2085 H GLY B 82 38.272 -13.916 -36.135 1.00 0.00 H ATOM 2086 N PHE B 83 37.492 -13.610 -32.832 1.00 32.45 N ATOM 2087 CA PHE B 83 36.743 -13.585 -31.581 1.00 32.50 C ATOM 2088 C PHE B 83 36.346 -14.988 -31.119 1.00 32.25 C ATOM 2089 O PHE B 83 36.502 -15.335 -29.955 1.00 31.30 O ATOM 2090 CB PHE B 83 35.484 -12.712 -31.668 1.00 32.56 C ATOM 2091 CG PHE B 83 34.819 -12.560 -30.343 1.00 32.09 C ATOM 2092 CD1 PHE B 83 35.348 -11.697 -29.402 1.00 32.06 C ATOM 2093 CD2 PHE B 83 33.746 -13.358 -29.986 1.00 31.67 C ATOM 2094 CE1 PHE B 83 34.787 -11.595 -28.143 1.00 31.64 C ATOM 2095 CE2 PHE B 83 33.182 -13.264 -28.719 1.00 31.11 C ATOM 2096 CZ PHE B 83 33.698 -12.383 -27.803 1.00 31.40 C ATOM 2097 H PHE B 83 37.079 -13.181 -33.685 1.00 0.00 H ATOM 2098 N CYS B 84 35.841 -15.788 -32.051 1.00 33.85 N ATOM 2099 CA CYS B 84 35.466 -17.179 -31.771 1.00 34.50 C ATOM 2100 C CYS B 84 36.621 -18.003 -31.192 1.00 33.53 C ATOM 2101 O CYS B 84 36.459 -18.722 -30.204 1.00 32.21 O ATOM 2102 CB CYS B 84 34.940 -17.839 -33.036 1.00 36.33 C ATOM 2103 SG CYS B 84 34.279 -19.492 -32.737 1.00 39.51 S ATOM 2104 H CYS B 84 35.707 -15.416 -33.013 1.00 0.00 H ATOM 2105 N ILE B 85 37.782 -17.878 -31.817 1.00 33.23 N ATOM 2106 CA ILE B 85 39.018 -18.505 -31.331 1.00 33.10 C ATOM 2107 C ILE B 85 39.365 -18.056 -29.903 1.00 31.49 C ATOM 2108 O ILE B 85 39.708 -18.886 -29.057 1.00 30.28 O ATOM 2109 CB ILE B 85 40.201 -18.233 -32.312 1.00 34.36 C ATOM 2110 CG1 ILE B 85 40.015 -19.056 -33.594 1.00 36.03 C ATOM 2111 CG2 ILE B 85 41.562 -18.531 -31.676 1.00 34.56 C ATOM 2112 CD1 ILE B 85 40.857 -18.594 -34.768 1.00 37.46 C ATOM 2113 H ILE B 85 37.820 -17.312 -32.689 1.00 0.00 H ATOM 2114 N LEU B 86 39.321 -16.753 -29.639 1.00 30.70 N ATOM 2115 CA LEU B 86 39.615 -16.244 -28.297 1.00 30.42 C ATOM 2116 C LEU B 86 38.579 -16.677 -27.241 1.00 29.56 C ATOM 2117 O LEU B 86 38.960 -17.039 -26.130 1.00 28.11 O ATOM 2118 CB LEU B 86 39.804 -14.732 -28.302 1.00 31.58 C ATOM 2119 CG LEU B 86 41.105 -14.306 -28.981 1.00 33.28 C ATOM 2120 CD1 LEU B 86 41.121 -12.818 -29.232 1.00 34.53 C ATOM 2121 CD2 LEU B 86 42.315 -14.726 -28.158 1.00 34.10 C ATOM 2122 H LEU B 86 39.074 -16.085 -30.397 1.00 0.00 H ATOM 2123 N LEU B 87 37.296 -16.676 -27.602 1.00 29.68 N ATOM 2124 CA LEU B 87 36.236 -17.168 -26.708 1.00 29.98 C ATOM 2125 C LEU B 87 36.429 -18.645 -26.348 1.00 30.18 C ATOM 2126 O LEU B 87 36.255 -19.025 -25.196 1.00 28.76 O ATOM 2127 CB LEU B 87 34.862 -16.958 -27.336 1.00 30.54 C ATOM 2128 CG LEU B 87 33.640 -17.264 -26.463 1.00 30.75 C ATOM 2129 CD1 LEU B 87 33.643 -16.404 -25.217 1.00 30.96 C ATOM 2130 CD2 LEU B 87 32.364 -17.064 -27.265 1.00 31.71 C ATOM 2131 H LEU B 87 37.037 -16.317 -28.543 1.00 0.00 H ATOM 2132 N ASP B 88 36.784 -19.465 -27.337 1.00 32.18 N ATOM 2133 CA ASP B 88 37.026 -20.884 -27.111 1.00 33.16 C ATOM 2134 C ASP B 88 38.241 -21.038 -26.198 1.00 31.47 C ATOM 2135 O ASP B 88 38.238 -21.868 -25.300 1.00 30.51 O ATOM 2136 CB ASP B 88 37.260 -21.637 -28.420 1.00 36.14 C ATOM 2137 CG ASP B 88 35.969 -22.037 -29.133 1.00 39.73 C ATOM 2138 OD1 ASP B 88 34.880 -22.088 -28.510 1.00 42.66 O ATOM 2139 OD2 ASP B 88 36.062 -22.351 -30.341 1.00 43.16 O ATOM 2140 H ASP B 88 36.891 -19.081 -28.298 1.00 0.00 H ATOM 2141 N PHE B 89 39.260 -20.211 -26.432 1.00 30.30 N ATOM 2142 CA PHE B 89 40.426 -20.146 -25.560 1.00 29.35 C ATOM 2143 C PHE B 89 40.024 -19.850 -24.114 1.00 28.20 C ATOM 2144 O PHE B 89 40.472 -20.530 -23.196 1.00 27.65 O ATOM 2145 CB PHE B 89 41.467 -19.118 -26.054 1.00 28.81 C ATOM 2146 CG PHE B 89 42.508 -18.810 -25.035 1.00 29.13 C ATOM 2147 CD1 PHE B 89 43.481 -19.759 -24.722 1.00 29.81 C ATOM 2148 CD2 PHE B 89 42.479 -17.634 -24.320 1.00 28.95 C ATOM 2149 CE1 PHE B 89 44.410 -19.504 -23.713 1.00 29.72 C ATOM 2150 CE2 PHE B 89 43.409 -17.371 -23.339 1.00 29.54 C ATOM 2151 CZ PHE B 89 44.377 -18.312 -23.033 1.00 29.40 C ATOM 2152 H PHE B 89 39.222 -19.591 -27.266 1.00 0.00 H ATOM 2153 N MET B 90 39.174 -18.847 -23.912 1.00 27.52 N ATOM 2154 CA MET B 90 38.738 -18.483 -22.571 1.00 27.53 C ATOM 2155 C MET B 90 38.141 -19.688 -21.828 1.00 26.88 C ATOM 2156 O MET B 90 38.423 -19.901 -20.662 1.00 26.53 O ATOM 2157 CB MET B 90 37.697 -17.352 -22.623 1.00 27.83 C ATOM 2158 CG MET B 90 38.232 -16.001 -23.087 1.00 28.57 C ATOM 2159 SD MET B 90 36.861 -14.831 -23.055 1.00 30.07 S ATOM 2160 CE MET B 90 37.539 -13.481 -23.999 1.00 31.13 C ATOM 2161 H MET B 90 38.814 -18.312 -24.728 1.00 0.00 H ATOM 2162 N TYR B 91 37.352 -20.486 -22.540 1.00 26.69 N ATOM 2163 CA TYR B 91 36.634 -21.615 -21.944 1.00 26.68 C ATOM 2164 C TYR B 91 37.382 -22.945 -21.983 1.00 27.90 C ATOM 2165 O TYR B 91 36.886 -23.934 -21.427 1.00 27.80 O ATOM 2166 CB TYR B 91 35.280 -21.753 -22.626 1.00 26.92 C ATOM 2167 CG TYR B 91 34.192 -20.838 -22.110 1.00 26.40 C ATOM 2168 CD1 TYR B 91 33.350 -21.252 -21.091 1.00 25.97 C ATOM 2169 CD2 TYR B 91 33.961 -19.574 -22.684 1.00 27.01 C ATOM 2170 CE1 TYR B 91 32.322 -20.447 -20.624 1.00 25.76 C ATOM 2171 CE2 TYR B 91 32.939 -18.753 -22.216 1.00 26.69 C ATOM 2172 CZ TYR B 91 32.125 -19.207 -21.195 1.00 26.28 C ATOM 2173 OH TYR B 91 31.101 -18.448 -20.753 1.00 25.72 O ATOM 2174 HH TYR B 91 30.628 -18.925 -20.025 1.00 0.00 H ATOM 2175 H TYR B 91 37.240 -20.302 -23.558 1.00 0.00 H ATOM 2176 N THR B 92 38.579 -22.980 -22.577 1.00 28.08 N ATOM 2177 CA THR B 92 39.334 -24.227 -22.731 1.00 29.43 C ATOM 2178 C THR B 92 40.841 -24.196 -22.410 1.00 30.08 C ATOM 2179 O THR B 92 41.409 -25.251 -22.267 1.00 29.00 O ATOM 2180 CB THR B 92 39.227 -24.786 -24.170 1.00 30.37 C ATOM 2181 OG1 THR B 92 39.881 -23.891 -25.088 1.00 29.49 O ATOM 2182 CG2 THR B 92 37.762 -24.994 -24.572 1.00 30.64 C ATOM 2183 HG1 THR B 92 39.446 -23.003 -25.047 1.00 0.00 H ATOM 2184 H THR B 92 38.987 -22.095 -22.941 1.00 0.00 H ATOM 2185 N SER B 93 41.476 -23.024 -22.344 1.00 29.67 N ATOM 2186 CA SER B 93 42.959 -22.915 -22.340 1.00 31.26 C ATOM 2187 C SER B 93 43.667 -23.220 -23.664 1.00 31.39 C ATOM 2188 O SER B 93 44.892 -23.139 -23.711 1.00 31.89 O ATOM 2189 CB SER B 93 43.614 -23.782 -21.248 1.00 32.39 C ATOM 2190 OG SER B 93 42.922 -23.684 -20.021 1.00 33.97 O ATOM 2191 HG SER B 93 43.369 -24.252 -19.345 1.00 0.00 H ATOM 2192 H SER B 93 40.911 -22.152 -22.293 1.00 0.00 H ATOM 2193 N ARG B 94 42.935 -23.577 -24.713 1.00 32.35 N ATOM 2194 CA ARG B 94 43.524 -23.964 -25.977 1.00 34.67 C ATOM 2195 C ARG B 94 43.318 -22.839 -26.968 1.00 33.69 C ATOM 2196 O ARG B 94 42.184 -22.381 -27.146 1.00 33.01 O ATOM 2197 CB ARG B 94 42.863 -25.229 -26.524 1.00 37.74 C ATOM 2198 CG ARG B 94 43.109 -26.434 -25.678 1.00 41.31 C ATOM 2199 CD ARG B 94 42.206 -27.577 -26.096 1.00 45.54 C ATOM 2200 NE ARG B 94 42.581 -28.732 -25.313 1.00 49.88 N ATOM 2201 CZ ARG B 94 42.205 -28.980 -24.051 1.00 54.07 C ATOM 2202 NH1 ARG B 94 41.371 -28.172 -23.371 1.00 55.26 N ATOM 2203 NH2 ARG B 94 42.663 -30.081 -23.450 1.00 56.55 N ATOM 2204 HE ARG B 94 43.198 -29.434 -25.770 1.00 0.00 H ATOM 2205 HH12 ARG B 94 41.106 -28.403 -22.392 1.00 0.00 H ATOM 2206 HH11 ARG B 94 40.992 -27.316 -23.824 1.00 0.00 H ATOM 2207 HH22 ARG B 94 42.384 -30.293 -22.471 1.00 0.00 H ATOM 2208 HH21 ARG B 94 43.299 -30.726 -23.961 1.00 0.00 H ATOM 2209 H ARG B 94 41.899 -23.579 -24.623 1.00 0.00 H ATOM 2210 N LEU B 95 44.406 -22.405 -27.600 1.00 33.25 N ATOM 2211 CA LEU B 95 44.391 -21.327 -28.590 1.00 34.01 C ATOM 2212 C LEU B 95 44.725 -21.919 -29.954 1.00 35.34 C ATOM 2213 O LEU B 95 45.839 -22.462 -30.155 1.00 35.13 O ATOM 2214 CB LEU B 95 45.396 -20.252 -28.205 1.00 33.77 C ATOM 2215 CG LEU B 95 45.442 -18.978 -29.037 1.00 34.38 C ATOM 2216 CD1 LEU B 95 44.160 -18.149 -28.870 1.00 33.77 C ATOM 2217 CD2 LEU B 95 46.673 -18.158 -28.656 1.00 34.80 C ATOM 2218 H LEU B 95 45.316 -22.856 -27.378 1.00 0.00 H ATOM 2219 N ASN B 96 43.753 -21.850 -30.866 1.00 35.78 N ATOM 2220 CA ASN B 96 43.882 -22.398 -32.208 1.00 38.46 C ATOM 2221 C ASN B 96 44.586 -21.383 -33.119 1.00 39.42 C ATOM 2222 O ASN B 96 43.964 -20.727 -33.944 1.00 39.51 O ATOM 2223 CB ASN B 96 42.502 -22.786 -32.760 1.00 39.66 C ATOM 2224 CG ASN B 96 42.575 -23.376 -34.159 1.00 42.40 C ATOM 2225 OD1 ASN B 96 43.602 -23.905 -34.577 1.00 44.43 O ATOM 2226 ND2 ASN B 96 41.490 -23.250 -34.901 1.00 43.61 N ATOM 2227 HD22 ASN B 96 40.641 -22.795 -34.508 1.00 0.00 H ATOM 2228 HD21 ASN B 96 41.484 -23.605 -35.878 1.00 0.00 H ATOM 2229 H ASN B 96 42.861 -21.383 -30.605 1.00 0.00 H ATOM 2230 N LEU B 97 45.891 -21.260 -32.926 1.00 40.05 N ATOM 2231 CA LEU B 97 46.710 -20.254 -33.605 1.00 41.54 C ATOM 2232 C LEU B 97 47.287 -20.882 -34.881 1.00 42.95 C ATOM 2233 O LEU B 97 47.944 -21.931 -34.822 1.00 40.35 O ATOM 2234 CB LEU B 97 47.816 -19.806 -32.650 1.00 42.16 C ATOM 2235 CG LEU B 97 48.502 -18.462 -32.771 1.00 43.31 C ATOM 2236 CD1 LEU B 97 47.474 -17.341 -32.752 1.00 43.27 C ATOM 2237 CD2 LEU B 97 49.495 -18.315 -31.622 1.00 43.82 C ATOM 2238 H LEU B 97 46.356 -21.909 -32.260 1.00 0.00 H ATOM 2239 N ARG B 98 47.003 -20.258 -36.020 1.00 43.73 N ATOM 2240 CA ARG B 98 47.419 -20.742 -37.343 1.00 47.05 C ATOM 2241 C ARG B 98 47.943 -19.578 -38.160 1.00 47.07 C ATOM 2242 O ARG B 98 47.606 -18.421 -37.867 1.00 44.59 O ATOM 2243 CB ARG B 98 46.229 -21.366 -38.071 1.00 50.06 C ATOM 2244 CG ARG B 98 45.687 -22.566 -37.337 1.00 52.94 C ATOM 2245 CD ARG B 98 44.576 -23.297 -38.061 1.00 56.42 C ATOM 2246 NE ARG B 98 44.480 -24.644 -37.482 1.00 60.90 N ATOM 2247 CZ ARG B 98 43.374 -25.379 -37.350 1.00 64.21 C ATOM 2248 NH1 ARG B 98 43.463 -26.585 -36.778 1.00 65.96 N ATOM 2249 NH2 ARG B 98 42.183 -24.941 -37.770 1.00 66.60 N ATOM 2250 HE ARG B 98 45.366 -25.069 -37.140 1.00 0.00 H ATOM 2251 HH12 ARG B 98 42.612 -27.172 -36.667 1.00 0.00 H ATOM 2252 HH11 ARG B 98 44.384 -26.936 -36.445 1.00 0.00 H ATOM 2253 HH22 ARG B 98 41.339 -25.537 -37.653 1.00 0.00 H ATOM 2254 HH21 ARG B 98 42.100 -24.004 -38.214 1.00 0.00 H ATOM 2255 H ARG B 98 46.454 -19.376 -35.972 1.00 0.00 H ATOM 2256 N GLU B 99 48.729 -19.885 -39.194 1.00 47.02 N ATOM 2257 CA GLU B 99 49.241 -18.866 -40.114 1.00 48.56 C ATOM 2258 C GLU B 99 48.142 -17.932 -40.595 1.00 46.44 C ATOM 2259 O GLU B 99 48.293 -16.715 -40.521 1.00 45.52 O ATOM 2260 CB GLU B 99 49.909 -19.499 -41.342 1.00 52.30 C ATOM 2261 CG GLU B 99 50.572 -18.498 -42.305 1.00 56.20 C ATOM 2262 CD GLU B 99 51.813 -17.803 -41.732 1.00 59.39 C ATOM 2263 OE1 GLU B 99 52.366 -18.259 -40.703 1.00 62.93 O ATOM 2264 OE2 GLU B 99 52.265 -16.796 -42.327 1.00 64.77 O ATOM 2265 H GLU B 99 48.987 -20.880 -39.352 1.00 0.00 H ATOM 2266 N GLY B 100 47.048 -18.510 -41.081 1.00 45.23 N ATOM 2267 CA GLY B 100 45.923 -17.735 -41.621 1.00 45.54 C ATOM 2268 C GLY B 100 45.017 -16.972 -40.640 1.00 44.33 C ATOM 2269 O GLY B 100 44.170 -16.183 -41.085 1.00 45.67 O ATOM 2270 H GLY B 100 46.986 -19.548 -41.079 1.00 0.00 H ATOM 2271 N ASN B 101 45.153 -17.193 -39.330 1.00 41.63 N ATOM 2272 CA ASN B 101 44.371 -16.418 -38.354 1.00 40.45 C ATOM 2273 C ASN B 101 45.197 -15.581 -37.385 1.00 40.03 C ATOM 2274 O ASN B 101 44.617 -14.770 -36.678 1.00 38.99 O ATOM 2275 CB ASN B 101 43.380 -17.310 -37.573 1.00 39.27 C ATOM 2276 CG ASN B 101 44.060 -18.364 -36.695 1.00 38.76 C ATOM 2277 OD1 ASN B 101 45.134 -18.145 -36.121 1.00 37.77 O ATOM 2278 ND2 ASN B 101 43.421 -19.515 -36.574 1.00 38.67 N ATOM 2279 HD22 ASN B 101 42.520 -19.664 -37.071 1.00 0.00 H ATOM 2280 HD21 ASN B 101 43.819 -20.271 -35.982 1.00 0.00 H ATOM 2281 H ASN B 101 45.818 -17.920 -38.997 1.00 0.00 H ATOM 2282 N ILE B 102 46.521 -15.760 -37.334 1.00 39.90 N ATOM 2283 CA ILE B 102 47.300 -15.159 -36.248 1.00 40.07 C ATOM 2284 C ILE B 102 47.130 -13.632 -36.130 1.00 40.14 C ATOM 2285 O ILE B 102 47.003 -13.108 -35.020 1.00 38.07 O ATOM 2286 CB ILE B 102 48.789 -15.574 -36.267 1.00 41.69 C ATOM 2287 CG1 ILE B 102 49.493 -15.054 -35.009 1.00 41.95 C ATOM 2288 CG2 ILE B 102 49.525 -15.100 -37.518 1.00 42.95 C ATOM 2289 CD1 ILE B 102 50.748 -15.832 -34.671 1.00 42.51 C ATOM 2290 H ILE B 102 46.998 -16.326 -38.065 1.00 0.00 H ATOM 2291 N MET B 103 47.115 -12.934 -37.260 1.00 41.72 N ATOM 2292 CA MET B 103 46.969 -11.481 -37.246 1.00 42.51 C ATOM 2293 C MET B 103 45.595 -11.050 -36.704 1.00 40.83 C ATOM 2294 O MET B 103 45.530 -10.137 -35.900 1.00 40.13 O ATOM 2295 CB MET B 103 47.247 -10.866 -38.622 1.00 45.28 C ATOM 2296 CG MET B 103 48.686 -11.046 -39.136 1.00 47.34 C ATOM 2297 SD MET B 103 50.002 -10.539 -37.988 1.00 51.25 S ATOM 2298 CE MET B 103 49.794 -8.762 -37.999 1.00 51.55 C ATOM 2299 H MET B 103 47.209 -13.430 -38.169 1.00 0.00 H ATOM 2300 N ALA B 104 44.528 -11.729 -37.119 1.00 39.98 N ATOM 2301 CA ALA B 104 43.179 -11.455 -36.617 1.00 39.55 C ATOM 2302 C ALA B 104 43.038 -11.763 -35.126 1.00 37.74 C ATOM 2303 O ALA B 104 42.394 -11.003 -34.387 1.00 37.07 O ATOM 2304 CB ALA B 104 42.132 -12.240 -37.409 1.00 39.94 C ATOM 2305 H ALA B 104 44.657 -12.481 -37.825 1.00 0.00 H ATOM 2306 N VAL B 105 43.652 -12.871 -34.700 1.00 36.78 N ATOM 2307 CA VAL B 105 43.665 -13.260 -33.303 1.00 35.56 C ATOM 2308 C VAL B 105 44.408 -12.215 -32.480 1.00 35.80 C ATOM 2309 O VAL B 105 43.899 -11.775 -31.444 1.00 34.65 O ATOM 2310 CB VAL B 105 44.299 -14.663 -33.087 1.00 36.39 C ATOM 2311 CG1 VAL B 105 44.501 -14.947 -31.602 1.00 35.90 C ATOM 2312 CG2 VAL B 105 43.433 -15.753 -33.711 1.00 36.24 C ATOM 2313 H VAL B 105 44.137 -13.475 -35.394 1.00 0.00 H ATOM 2314 N MET B 106 45.597 -11.808 -32.937 1.00 36.48 N ATOM 2315 CA MET B 106 46.369 -10.785 -32.222 1.00 37.44 C ATOM 2316 C MET B 106 45.591 -9.468 -32.120 1.00 37.44 C ATOM 2317 O MET B 106 45.515 -8.877 -31.047 1.00 37.41 O ATOM 2318 CB MET B 106 47.720 -10.523 -32.899 1.00 39.54 C ATOM 2319 CG MET B 106 48.665 -9.661 -32.073 1.00 40.95 C ATOM 2320 SD MET B 106 50.315 -9.557 -32.781 1.00 45.00 S ATOM 2321 CE MET B 106 49.976 -8.587 -34.238 1.00 46.07 C ATOM 2322 H MET B 106 45.980 -12.222 -33.811 1.00 0.00 H ATOM 2323 N ALA B 107 45.034 -9.005 -33.238 1.00 37.60 N ATOM 2324 CA ALA B 107 44.263 -7.750 -33.257 1.00 37.01 C ATOM 2325 C ALA B 107 43.063 -7.820 -32.311 1.00 36.23 C ATOM 2326 O ALA B 107 42.780 -6.865 -31.603 1.00 35.14 O ATOM 2327 CB ALA B 107 43.807 -7.420 -34.668 1.00 37.36 C ATOM 2328 H ALA B 107 45.146 -9.544 -34.120 1.00 0.00 H ATOM 2329 N THR B 108 42.395 -8.969 -32.268 1.00 36.11 N ATOM 2330 CA THR B 108 41.227 -9.146 -31.407 1.00 35.94 C ATOM 2331 C THR B 108 41.636 -9.187 -29.932 1.00 35.08 C ATOM 2332 O THR B 108 40.958 -8.582 -29.089 1.00 33.91 O ATOM 2333 CB THR B 108 40.428 -10.387 -31.813 1.00 36.70 C ATOM 2334 OG1 THR B 108 40.136 -10.308 -33.208 1.00 38.10 O ATOM 2335 CG2 THR B 108 39.099 -10.473 -31.043 1.00 36.88 C ATOM 2336 HG1 THR B 108 40.983 -10.271 -33.720 1.00 0.00 H ATOM 2337 H THR B 108 42.712 -9.762 -32.862 1.00 0.00 H ATOM 2338 N ALA B 109 42.759 -9.844 -29.638 1.00 34.50 N ATOM 2339 CA ALA B 109 43.301 -9.902 -28.281 1.00 34.64 C ATOM 2340 C ALA B 109 43.705 -8.528 -27.752 1.00 35.95 C ATOM 2341 O ALA B 109 43.493 -8.238 -26.584 1.00 35.26 O ATOM 2342 CB ALA B 109 44.479 -10.855 -28.220 1.00 34.89 C ATOM 2343 H ALA B 109 43.268 -10.333 -30.402 1.00 0.00 H ATOM 2344 N MET B 110 44.292 -7.692 -28.611 1.00 37.51 N ATOM 2345 CA MET B 110 44.604 -6.305 -28.253 1.00 39.80 C ATOM 2346 C MET B 110 43.334 -5.558 -27.852 1.00 38.00 C ATOM 2347 O MET B 110 43.238 -5.001 -26.778 1.00 37.46 O ATOM 2348 CB MET B 110 45.270 -5.580 -29.432 1.00 43.41 C ATOM 2349 CG MET B 110 46.707 -6.001 -29.699 1.00 47.28 C ATOM 2350 SD MET B 110 47.426 -4.984 -31.029 1.00 56.23 S ATOM 2351 CE MET B 110 47.514 -6.091 -32.433 1.00 54.52 C ATOM 2352 H MET B 110 44.535 -8.035 -29.562 1.00 0.00 H ATOM 2353 N TYR B 111 42.341 -5.592 -28.722 1.00 37.23 N ATOM 2354 CA TYR B 111 41.050 -4.992 -28.447 1.00 36.97 C ATOM 2355 C TYR B 111 40.433 -5.511 -27.139 1.00 35.31 C ATOM 2356 O TYR B 111 39.931 -4.735 -26.339 1.00 33.69 O ATOM 2357 CB TYR B 111 40.142 -5.256 -29.647 1.00 37.66 C ATOM 2358 CG TYR B 111 38.745 -4.752 -29.534 1.00 38.26 C ATOM 2359 CD1 TYR B 111 38.405 -3.455 -29.916 1.00 39.89 C ATOM 2360 CD2 TYR B 111 37.744 -5.580 -29.096 1.00 39.25 C ATOM 2361 CE1 TYR B 111 37.102 -3.011 -29.829 1.00 40.25 C ATOM 2362 CE2 TYR B 111 36.449 -5.143 -29.009 1.00 39.97 C ATOM 2363 CZ TYR B 111 36.141 -3.855 -29.352 1.00 39.46 C ATOM 2364 OH TYR B 111 34.839 -3.493 -29.271 1.00 41.89 O ATOM 2365 HH TYR B 111 34.744 -2.546 -29.542 1.00 0.00 H ATOM 2366 H TYR B 111 42.490 -6.065 -29.636 1.00 0.00 H ATOM 2367 N LEU B 112 40.514 -6.820 -26.904 1.00 34.17 N ATOM 2368 CA LEU B 112 39.969 -7.421 -25.679 1.00 33.80 C ATOM 2369 C LEU B 112 40.843 -7.249 -24.408 1.00 33.97 C ATOM 2370 O LEU B 112 40.388 -7.594 -23.317 1.00 32.65 O ATOM 2371 CB LEU B 112 39.657 -8.908 -25.900 1.00 33.22 C ATOM 2372 CG LEU B 112 38.551 -9.212 -26.917 1.00 33.34 C ATOM 2373 CD1 LEU B 112 38.361 -10.725 -27.041 1.00 32.91 C ATOM 2374 CD2 LEU B 112 37.252 -8.527 -26.534 1.00 33.49 C ATOM 2375 H LEU B 112 40.975 -7.433 -27.606 1.00 0.00 H ATOM 2376 N GLN B 113 42.053 -6.698 -24.545 1.00 35.63 N ATOM 2377 CA GLN B 113 43.028 -6.552 -23.437 1.00 37.10 C ATOM 2378 C GLN B 113 43.356 -7.910 -22.828 1.00 36.49 C ATOM 2379 O GLN B 113 43.091 -8.156 -21.647 1.00 35.85 O ATOM 2380 CB GLN B 113 42.541 -5.580 -22.345 1.00 38.19 C ATOM 2381 CG GLN B 113 42.388 -4.146 -22.798 1.00 40.18 C ATOM 2382 CD GLN B 113 41.666 -3.292 -21.773 1.00 41.13 C ATOM 2383 OE1 GLN B 113 41.871 -3.421 -20.568 1.00 42.04 O ATOM 2384 NE2 GLN B 113 40.805 -2.428 -22.250 1.00 42.85 N ATOM 2385 HE22 GLN B 113 40.661 -2.350 -23.277 1.00 0.00 H ATOM 2386 HE21 GLN B 113 40.265 -1.820 -21.602 1.00 0.00 H ATOM 2387 H GLN B 113 42.328 -6.350 -25.486 1.00 0.00 H ATOM 2388 N MET B 114 43.891 -8.787 -23.674 1.00 36.75 N ATOM 2389 CA MET B 114 44.378 -10.112 -23.291 1.00 36.75 C ATOM 2390 C MET B 114 45.845 -10.120 -23.692 1.00 38.83 C ATOM 2391 O MET B 114 46.244 -10.725 -24.687 1.00 37.18 O ATOM 2392 CB MET B 114 43.594 -11.189 -24.018 1.00 35.99 C ATOM 2393 CG MET B 114 42.136 -11.208 -23.617 1.00 35.57 C ATOM 2394 SD MET B 114 41.105 -12.217 -24.684 1.00 35.04 S ATOM 2395 CE MET B 114 41.608 -13.832 -24.072 1.00 35.08 C ATOM 2396 H MET B 114 43.968 -8.512 -24.674 1.00 0.00 H ATOM 2397 N GLU B 115 46.629 -9.388 -22.905 1.00 42.17 N ATOM 2398 CA GLU B 115 47.984 -9.017 -23.282 1.00 45.67 C ATOM 2399 C GLU B 115 48.927 -10.214 -23.397 1.00 44.13 C ATOM 2400 O GLU B 115 49.827 -10.228 -24.229 1.00 43.97 O ATOM 2401 CB GLU B 115 48.534 -7.985 -22.291 1.00 49.05 C ATOM 2402 CG GLU B 115 49.812 -7.275 -22.733 1.00 53.42 C ATOM 2403 CD GLU B 115 49.745 -6.681 -24.142 1.00 56.72 C ATOM 2404 OE1 GLU B 115 50.768 -6.767 -24.855 1.00 59.91 O ATOM 2405 OE2 GLU B 115 48.682 -6.150 -24.553 1.00 58.64 O ATOM 2406 H GLU B 115 46.260 -9.069 -21.987 1.00 0.00 H ATOM 2407 N HIS B 116 48.734 -11.195 -22.530 1.00 43.74 N ATOM 2408 CA HIS B 116 49.439 -12.476 -22.648 1.00 44.36 C ATOM 2409 C HIS B 116 49.216 -13.206 -23.976 1.00 42.27 C ATOM 2410 O HIS B 116 50.149 -13.837 -24.477 1.00 42.58 O ATOM 2411 CB HIS B 116 49.156 -13.396 -21.456 1.00 45.79 C ATOM 2412 CG HIS B 116 47.737 -13.894 -21.371 1.00 47.91 C ATOM 2413 ND1 HIS B 116 46.625 -13.073 -21.470 1.00 47.72 N ATOM 2414 CD2 HIS B 116 47.258 -15.138 -21.125 1.00 48.90 C ATOM 2415 CE1 HIS B 116 45.531 -13.796 -21.324 1.00 48.15 C ATOM 2416 NE2 HIS B 116 45.887 -15.051 -21.110 1.00 49.03 N ATOM 2417 H HIS B 116 48.066 -11.054 -21.745 1.00 0.00 H ATOM 2418 N VAL B 117 48.010 -13.144 -24.543 1.00 38.85 N ATOM 2419 CA VAL B 117 47.781 -13.733 -25.878 1.00 37.62 C ATOM 2420 C VAL B 117 48.416 -12.857 -26.965 1.00 37.91 C ATOM 2421 O VAL B 117 48.943 -13.376 -27.940 1.00 37.19 O ATOM 2422 CB VAL B 117 46.284 -13.942 -26.199 1.00 36.97 C ATOM 2423 CG1 VAL B 117 46.105 -14.400 -27.647 1.00 37.20 C ATOM 2424 CG2 VAL B 117 45.670 -14.942 -25.235 1.00 36.26 C ATOM 2425 H VAL B 117 47.227 -12.678 -24.042 1.00 0.00 H ATOM 2426 N VAL B 118 48.357 -11.535 -26.806 1.00 37.91 N ATOM 2427 CA VAL B 118 49.025 -10.634 -27.754 1.00 39.66 C ATOM 2428 C VAL B 118 50.528 -10.963 -27.772 1.00 40.79 C ATOM 2429 O VAL B 118 51.108 -11.165 -28.824 1.00 41.07 O ATOM 2430 CB VAL B 118 48.812 -9.139 -27.418 1.00 39.88 C ATOM 2431 CG1 VAL B 118 49.629 -8.250 -28.353 1.00 41.28 C ATOM 2432 CG2 VAL B 118 47.333 -8.746 -27.501 1.00 38.81 C ATOM 2433 H VAL B 118 47.832 -11.137 -26.001 1.00 0.00 H ATOM 2434 N ASP B 119 51.133 -11.019 -26.596 1.00 41.81 N ATOM 2435 CA ASP B 119 52.563 -11.320 -26.449 1.00 43.81 C ATOM 2436 C ASP B 119 52.941 -12.680 -27.094 1.00 42.97 C ATOM 2437 O ASP B 119 53.961 -12.796 -27.766 1.00 41.74 O ATOM 2438 CB ASP B 119 52.916 -11.286 -24.952 1.00 45.99 C ATOM 2439 CG ASP B 119 54.402 -11.530 -24.674 1.00 50.62 C ATOM 2440 OD1 ASP B 119 55.234 -10.738 -25.174 1.00 54.70 O ATOM 2441 OD2 ASP B 119 54.730 -12.501 -23.928 1.00 52.98 O ATOM 2442 H ASP B 119 50.571 -10.842 -25.739 1.00 0.00 H ATOM 2443 N THR B 120 52.096 -13.695 -26.903 1.00 41.14 N ATOM 2444 CA THR B 120 52.282 -15.007 -27.538 1.00 40.23 C ATOM 2445 C THR B 120 52.234 -14.902 -29.052 1.00 40.81 C ATOM 2446 O THR B 120 53.118 -15.427 -29.727 1.00 41.27 O ATOM 2447 CB THR B 120 51.218 -16.014 -27.059 1.00 38.85 C ATOM 2448 OG1 THR B 120 51.335 -16.169 -25.649 1.00 38.95 O ATOM 2449 CG2 THR B 120 51.374 -17.362 -27.713 1.00 38.02 C ATOM 2450 HG1 THR B 120 51.192 -15.294 -25.209 1.00 0.00 H ATOM 2451 H THR B 120 51.275 -13.552 -26.281 1.00 0.00 H ATOM 2452 N CYS B 121 51.231 -14.207 -29.586 1.00 40.46 N ATOM 2453 CA CYS B 121 51.140 -13.989 -31.034 1.00 42.00 C ATOM 2454 C CYS B 121 52.386 -13.278 -31.604 1.00 44.50 C ATOM 2455 O CYS B 121 52.917 -13.689 -32.651 1.00 44.08 O ATOM 2456 CB CYS B 121 49.890 -13.197 -31.402 1.00 41.19 C ATOM 2457 SG CYS B 121 48.326 -14.068 -31.181 1.00 40.34 S ATOM 2458 H CYS B 121 50.498 -13.811 -28.964 1.00 0.00 H ATOM 2459 N ARG B 122 52.848 -12.227 -30.914 1.00 46.75 N ATOM 2460 CA ARG B 122 54.104 -11.533 -31.287 1.00 49.16 C ATOM 2461 C ARG B 122 55.263 -12.515 -31.345 1.00 50.08 C ATOM 2462 O ARG B 122 56.033 -12.498 -32.291 1.00 49.99 O ATOM 2463 CB ARG B 122 54.483 -10.446 -30.284 1.00 51.12 C ATOM 2464 CG ARG B 122 53.575 -9.237 -30.294 1.00 53.52 C ATOM 2465 CD ARG B 122 54.201 -8.085 -29.520 1.00 56.28 C ATOM 2466 NE ARG B 122 53.195 -7.131 -29.064 1.00 58.10 N ATOM 2467 CZ ARG B 122 52.501 -6.308 -29.850 1.00 60.44 C ATOM 2468 NH1 ARG B 122 51.615 -5.480 -29.307 1.00 61.37 N ATOM 2469 NH2 ARG B 122 52.673 -6.295 -31.173 1.00 63.71 N ATOM 2470 HE ARG B 122 53.004 -7.090 -28.043 1.00 0.00 H ATOM 2471 HH12 ARG B 122 51.068 -4.834 -29.912 1.00 0.00 H ATOM 2472 HH11 ARG B 122 51.468 -5.478 -28.277 1.00 0.00 H ATOM 2473 HH22 ARG B 122 52.118 -5.643 -31.763 1.00 0.00 H ATOM 2474 HH21 ARG B 122 53.362 -6.937 -31.614 1.00 0.00 H ATOM 2475 H ARG B 122 52.309 -11.887 -30.092 1.00 0.00 H ATOM 2476 N LYS B 123 55.382 -13.354 -30.315 1.00 50.60 N ATOM 2477 CA LYS B 123 56.490 -14.309 -30.230 1.00 52.29 C ATOM 2478 C LYS B 123 56.463 -15.350 -31.349 1.00 51.51 C ATOM 2479 O LYS B 123 57.523 -15.708 -31.864 1.00 51.98 O ATOM 2480 CB LYS B 123 56.549 -14.996 -28.865 1.00 53.88 C ATOM 2481 CG LYS B 123 57.137 -14.132 -27.762 1.00 55.46 C ATOM 2482 CD LYS B 123 56.992 -14.844 -26.422 1.00 56.73 C ATOM 2483 CE LYS B 123 57.106 -13.903 -25.233 1.00 58.23 C ATOM 2484 NZ LYS B 123 58.522 -13.638 -24.882 1.00 60.15 N ATOM 2485 HZ1 LYS B 123 58.991 -14.534 -24.639 1.00 0.00 H ATOM 2486 HZ2 LYS B 123 59.004 -13.202 -25.694 1.00 0.00 H ATOM 2487 HZ3 LYS B 123 58.561 -12.993 -24.067 1.00 0.00 H ATOM 2488 H LYS B 123 54.672 -13.330 -29.555 1.00 0.00 H ATOM 2489 N PHE B 124 55.275 -15.825 -31.727 1.00 48.77 N ATOM 2490 CA PHE B 124 55.150 -16.731 -32.883 1.00 48.59 C ATOM 2491 C PHE B 124 55.457 -16.046 -34.198 1.00 50.02 C ATOM 2492 O PHE B 124 56.044 -16.658 -35.076 1.00 50.04 O ATOM 2493 CB PHE B 124 53.781 -17.425 -32.948 1.00 46.31 C ATOM 2494 CG PHE B 124 53.688 -18.626 -32.060 1.00 45.40 C ATOM 2495 CD1 PHE B 124 54.148 -19.856 -32.493 1.00 45.80 C ATOM 2496 CD2 PHE B 124 53.185 -18.525 -30.767 1.00 44.40 C ATOM 2497 CE1 PHE B 124 54.083 -20.966 -31.668 1.00 45.35 C ATOM 2498 CE2 PHE B 124 53.122 -19.631 -29.938 1.00 44.84 C ATOM 2499 CZ PHE B 124 53.585 -20.859 -30.390 1.00 44.71 C ATOM 2500 H PHE B 124 54.423 -15.551 -31.197 1.00 0.00 H ATOM 2501 N ILE B 125 55.051 -14.788 -34.338 1.00 51.35 N ATOM 2502 CA ILE B 125 55.386 -13.986 -35.519 1.00 53.46 C ATOM 2503 C ILE B 125 56.917 -13.807 -35.637 1.00 56.35 C ATOM 2504 O ILE B 125 57.484 -14.018 -36.714 1.00 58.16 O ATOM 2505 CB ILE B 125 54.646 -12.624 -35.489 1.00 53.20 C ATOM 2506 CG1 ILE B 125 53.150 -12.838 -35.739 1.00 52.33 C ATOM 2507 CG2 ILE B 125 55.195 -11.658 -36.537 1.00 54.45 C ATOM 2508 CD1 ILE B 125 52.271 -11.708 -35.265 1.00 52.30 C ATOM 2509 H ILE B 125 54.477 -14.358 -33.585 1.00 0.00 H ATOM 2510 N LYS B 126 57.576 -13.456 -34.528 1.00 57.75 N ATOM 2511 CA LYS B 126 59.041 -13.272 -34.499 1.00 60.79 C ATOM 2512 C LYS B 126 59.797 -14.583 -34.698 1.00 62.10 C ATOM 2513 O LYS B 126 60.647 -14.673 -35.575 1.00 61.87 O ATOM 2514 CB LYS B 126 59.489 -12.630 -33.178 1.00 61.83 C ATOM 2515 CG LYS B 126 60.985 -12.323 -33.069 1.00 65.43 C ATOM 2516 CD LYS B 126 61.395 -11.078 -33.847 1.00 67.98 C ATOM 2517 CE LYS B 126 60.955 -9.802 -33.129 1.00 68.98 C ATOM 2518 NZ LYS B 126 61.614 -8.571 -33.649 1.00 71.80 N ATOM 2519 HZ1 LYS B 126 62.644 -8.655 -33.533 1.00 0.00 H ATOM 2520 HZ2 LYS B 126 61.386 -8.457 -34.657 1.00 0.00 H ATOM 2521 HZ3 LYS B 126 61.271 -7.745 -33.119 1.00 0.00 H ATOM 2522 H LYS B 126 57.036 -13.307 -33.652 1.00 0.00 H ATOM 2523 N ALA B 127 59.497 -15.586 -33.870 1.00 61.93 N ATOM 2524 CA ALA B 127 60.175 -16.897 -33.949 1.00 63.56 C ATOM 2525 C ALA B 127 59.980 -17.631 -35.291 1.00 64.86 C ATOM 2526 O ALA B 127 60.826 -18.439 -35.676 1.00 65.25 O ATOM 2527 CB ALA B 127 59.745 -17.794 -32.788 1.00 62.21 C ATOM 2528 H ALA B 127 58.764 -15.441 -33.147 1.00 0.00 H ATOM 2529 N SER B 128 58.872 -17.356 -35.987 1.00 66.01 N ATOM 2530 CA SER B 128 58.611 -17.926 -37.318 1.00 69.15 C ATOM 2531 C SER B 128 59.057 -17.039 -38.480 1.00 71.39 C ATOM 2532 O SER B 128 58.975 -17.477 -39.611 1.00 72.80 O ATOM 2533 CB SER B 128 57.122 -18.251 -37.490 1.00 67.58 C ATOM 2534 OG SER B 128 56.355 -17.066 -37.646 1.00 67.91 O ATOM 2535 HG SER B 128 56.465 -16.495 -36.844 1.00 0.00 H ATOM 2536 H SER B 128 58.167 -16.714 -35.571 1.00 0.00 H ATOM 2537 N GLU B 129 59.476 -15.801 -38.218 1.00 75.52 N ATOM 2538 CA GLU B 129 60.102 -14.958 -39.261 1.00 80.17 C ATOM 2539 C GLU B 129 61.442 -15.533 -39.701 1.00 81.63 C ATOM 2540 O GLU B 129 62.134 -16.241 -38.968 1.00 83.59 O ATOM 2541 CB GLU B 129 60.319 -13.516 -38.785 1.00 82.36 C ATOM 2542 CG GLU B 129 59.179 -12.564 -39.111 1.00 83.78 C ATOM 2543 CD GLU B 129 59.258 -11.260 -38.332 1.00 85.63 C ATOM 2544 OE1 GLU B 129 60.362 -10.911 -37.854 1.00 89.64 O ATOM 2545 OE2 GLU B 129 58.217 -10.579 -38.202 1.00 85.10 O ATOM 2546 OXT GLU B 129 61.865 -15.288 -40.819 1.00 84.45 O ATOM 2547 H GLU B 129 59.360 -15.418 -37.258 1.00 0.00 H TER 2548 GLU B 129 HETATM 2549 O HOH 1 22.397 -11.236 -5.793 1.00 62.25 O HETATM 2550 O HOH 2 31.500 -18.224 -13.790 1.00 33.31 O HETATM 2551 O HOH 3 47.839 -31.939 -25.017 1.00 51.15 O HETATM 2552 O HOH 4 46.576 -17.100 -17.792 1.00 43.59 O HETATM 2553 O HOH 5 26.547 -17.067 -12.288 1.00 34.34 O HETATM 2554 O HOH 6 49.207 -36.058 -30.398 1.00 47.24 O HETATM 2555 O HOH 7 41.003 -10.788 -2.958 1.00 47.85 O HETATM 2556 O HOH 8 20.189 -13.472 -9.069 1.00 44.87 O HETATM 2557 O HOH 9 16.741 -16.747 4.221 1.00 51.47 O HETATM 2558 O HOH 10 47.221 -19.380 -11.462 1.00 47.78 O HETATM 2559 O HOH 11 27.481 -30.139 7.558 1.00 40.45 O HETATM 2560 O HOH 12 20.792 -32.791 -16.494 1.00 52.58 O HETATM 2561 O HOH 13 49.828 -20.064 -18.833 1.00 38.87 O HETATM 2562 O HOH 14 18.729 -23.004 -15.734 1.00 42.15 O HETATM 2563 O HOH 15 38.349 -25.718 10.614 1.00 46.06 O HETATM 2564 O HOH 16 41.803 -14.539 -6.147 1.00 34.50 O HETATM 2565 O HOH 17 41.705 -19.107 -6.862 1.00 31.74 O HETATM 2566 O HOH 18 26.726 -13.681 -12.443 1.00 36.41 O HETATM 2567 O HOH 19 36.771 -14.588 -2.054 1.00 39.44 O HETATM 2568 O HOH 20 31.555 -15.741 -0.562 1.00 35.39 O HETATM 2569 O HOH 21 43.553 -23.273 -8.670 1.00 34.41 O HETATM 2570 O HOH 22 25.209 -35.204 4.535 1.00 43.24 O HETATM 2571 O HOH 23 18.896 -30.770 -14.558 1.00 43.54 O HETATM 2572 O HOH 24 28.106 -6.634 -9.480 1.00 43.33 O HETATM 2573 O HOH 25 17.022 -29.920 -11.966 1.00 42.94 O HETATM 2574 O HOH 26 50.007 -16.848 -15.201 1.00 54.14 O HETATM 2575 O HOH 27 23.977 -25.107 11.319 1.00 49.59 O HETATM 2576 O HOH 28 30.817 -11.600 -2.236 1.00 48.15 O HETATM 2577 O HOH 29 18.382 -19.849 8.011 1.00 54.71 O HETATM 2578 O HOH 30 45.035 -24.102 -18.245 1.00 29.59 O HETATM 2579 O HOH 31 19.599 -22.509 6.516 1.00 42.46 O HETATM 2580 O HOH 32 30.048 -35.223 -7.488 1.00 41.77 O HETATM 2581 O HOH 33 38.952 -24.911 1.868 1.00 31.25 O HETATM 2582 O HOH 34 48.363 -23.855 -12.608 1.00 54.03 O HETATM 2583 O HOH 35 43.449 -20.500 -8.741 1.00 33.11 O HETATM 2584 O HOH 36 42.025 -17.047 -5.048 1.00 34.61 O HETATM 2585 O HOH 37 30.466 -36.974 8.099 1.00 46.89 O HETATM 2586 O HOH 38 22.847 -33.554 -9.715 1.00 45.71 O HETATM 2587 O HOH 39 33.525 -27.676 10.625 1.00 50.58 O HETATM 2588 O HOH 40 10.906 -28.759 -4.840 1.00 40.03 O HETATM 2589 O HOH 41 44.294 -31.431 11.669 1.00 43.13 O HETATM 2590 O HOH 42 18.981 -32.355 -11.957 1.00 56.17 O HETATM 2591 O HOH 43 25.419 -11.489 2.205 1.00 48.88 O HETATM 2592 O HOH 44 29.455 -13.557 1.359 1.00 44.00 O HETATM 2593 O HOH 45 36.208 -26.682 13.689 1.00 56.06 O HETATM 2594 O HOH 46 45.835 -23.878 -14.834 1.00 33.02 O HETATM 2595 O HOH 47 35.815 -33.829 12.303 1.00 38.79 O HETATM 2596 O HOH 48 12.746 -27.968 -14.191 1.00 45.96 O HETATM 2597 O HOH 49 14.799 -16.922 -3.294 1.00 44.33 O HETATM 2598 O HOH 50 38.911 -22.432 -13.888 1.00 35.32 O HETATM 2599 O HOH 51 15.747 -12.982 -8.453 1.00 56.23 O HETATM 2600 O HOH 52 26.412 -14.051 7.496 1.00 55.11 O HETATM 2601 O HOH 53 39.233 -17.634 -0.907 1.00 45.50 O HETATM 2602 O HOH 54 24.531 -20.048 12.152 1.00 55.41 O HETATM 2603 O HOH 55 40.397 -13.154 -4.115 1.00 43.47 O HETATM 2604 O HOH 56 33.784 -31.965 11.916 1.00 39.32 O HETATM 2605 O HOH 57 30.216 -23.597 11.859 1.00 47.27 O HETATM 2606 O HOH 58 38.991 -22.410 3.595 1.00 49.32 O HETATM 2607 O HOH 59 33.124 -29.376 12.813 1.00 50.54 O HETATM 2608 O HOH 60 29.445 -4.861 -7.494 1.00 58.58 O HETATM 2609 O HOH 61 15.501 -28.938 -7.330 1.00 51.49 O HETATM 2610 O HOH 62 38.126 -37.589 12.563 1.00 58.52 O HETATM 2611 O HOH 63 38.833 -27.679 12.805 1.00 58.88 O HETATM 2612 O HOH 64 23.132 -35.281 2.468 1.00 55.37 O HETATM 2613 O HOH 65 31.371 -19.743 8.617 1.00 61.99 O HETATM 2614 O HOH 66 22.790 -36.656 0.114 1.00 60.08 O HETATM 2615 O HOH 67 18.587 -27.289 -18.240 1.00 50.50 O HETATM 2616 O HOH 68 23.824 -33.122 6.205 1.00 65.64 O HETATM 2617 O HOH 69 44.878 -5.873 -13.932 1.00 44.53 O HETATM 2618 O HOH 70 42.795 -11.150 -9.653 1.00 35.26 O HETATM 2619 O HOH 71 46.396 -7.820 -15.705 1.00 43.18 O HETATM 2620 O HOH 72 20.929 -13.778 -21.994 1.00 62.25 O HETATM 2621 O HOH 73 51.579 -25.460 -2.770 1.00 51.15 O HETATM 2622 O HOH 74 38.097 -31.786 -9.995 1.00 43.59 O HETATM 2623 O HOH 75 28.054 -14.457 -15.499 1.00 34.34 O HETATM 2624 O HOH 76 55.831 -24.586 2.611 1.00 47.24 O HETATM 2625 O HOH 77 29.844 -30.116 -24.829 1.00 47.85 O HETATM 2626 O HOH 78 21.762 -10.748 -18.718 1.00 44.87 O HETATM 2627 O HOH 79 22.874 -6.125 -32.008 1.00 51.47 O HETATM 2628 O HOH 80 40.394 -31.205 -16.325 1.00 47.78 O HETATM 2629 O HOH 81 39.842 -8.730 -35.345 1.00 40.45 O HETATM 2630 O HOH 82 38.794 -1.611 -11.293 1.00 52.58 O HETATM 2631 O HOH 83 42.290 -33.120 -8.954 1.00 38.87 O HETATM 2632 O HOH 84 29.287 -4.718 -12.053 1.00 42.15 O HETATM 2633 O HOH 85 41.447 -20.352 -38.401 1.00 46.06 O HETATM 2634 O HOH 86 33.493 -28.933 -21.640 1.00 34.50 O HETATM 2635 O HOH 87 37.400 -26.564 -20.925 1.00 31.74 O HETATM 2636 O HOH 88 25.211 -16.305 -15.344 1.00 36.41 O HETATM 2637 O HOH 89 31.019 -24.551 -25.733 1.00 39.44 O HETATM 2638 O HOH 90 29.410 -19.457 -27.225 1.00 35.39 O HETATM 2639 O HOH 91 41.932 -26.082 -19.117 1.00 34.41 O HETATM 2640 O HOH 92 43.092 -4.230 -32.322 1.00 43.24 O HETATM 2641 O HOH 93 36.096 -0.979 -13.229 1.00 43.54 O HETATM 2642 O HOH 94 19.798 -21.024 -18.307 1.00 43.33 O HETATM 2643 O HOH 95 34.422 0.219 -15.821 1.00 42.94 O HETATM 2644 O HOH 96 39.594 -34.883 -12.586 1.00 54.14 O HETATM 2645 O HOH 97 33.732 -8.211 -39.106 1.00 49.59 O HETATM 2646 O HOH 98 25.454 -20.888 -25.551 1.00 48.15 O HETATM 2647 O HOH 99 26.381 -5.995 -35.798 1.00 54.71 O HETATM 2648 O HOH 100 43.390 -26.950 -9.542 1.00 29.59 O HETATM 2649 O HOH 101 29.293 -5.719 -34.303 1.00 42.46 O HETATM 2650 O HOH 102 45.528 -8.411 -20.299 1.00 41.77 O HETATM 2651 O HOH 103 41.050 -21.278 -29.655 1.00 31.25 O HETATM 2652 O HOH 104 44.841 -29.956 -15.179 1.00 54.03 O HETATM 2653 O HOH 105 39.478 -27.378 -19.046 1.00 33.11 O HETATM 2654 O HOH 106 35.776 -27.871 -22.739 1.00 34.61 O HETATM 2655 O HOH 107 47.253 -7.897 -35.886 1.00 46.89 O HETATM 2656 O HOH 108 40.482 -3.009 -18.072 1.00 45.71 O HETATM 2657 O HOH 109 40.731 -15.196 -38.412 1.00 50.58 O HETATM 2658 O HOH 110 30.359 4.935 -22.947 1.00 40.03 O HETATM 2659 O HOH 111 49.367 -22.644 -39.456 1.00 43.13 O HETATM 2660 O HOH 112 37.511 -0.261 -15.830 1.00 56.17 O HETATM 2661 O HOH 113 22.659 -16.269 -29.992 1.00 48.88 O HETATM 2662 O HOH 114 26.468 -18.730 -29.146 1.00 44.00 O HETATM 2663 O HOH 115 41.211 -18.016 -41.476 1.00 56.06 O HETATM 2664 O HOH 116 43.596 -27.755 -12.953 1.00 33.02 O HETATM 2665 O HOH 117 47.204 -14.102 -40.090 1.00 38.79 O HETATM 2666 O HOH 118 30.594 2.946 -13.596 1.00 45.96 O HETATM 2667 O HOH 119 22.054 -4.355 -24.493 1.00 44.33 O HETATM 2668 O HOH 120 19.116 -7.146 -19.334 1.00 56.23 O HETATM 2669 O HOH 121 25.375 -15.848 -35.283 1.00 55.11 O HETATM 2670 O HOH 122 34.888 -25.160 -26.880 1.00 45.50 O HETATM 2671 O HOH 123 29.628 -11.220 -39.939 1.00 55.41 O HETATM 2672 O HOH 124 31.590 -28.408 -23.672 1.00 43.47 O HETATM 2673 O HOH 125 44.575 -13.275 -39.703 1.00 39.32 O HETATM 2674 O HOH 126 35.544 -14.369 -39.646 1.00 47.27 O HETATM 2675 O HOH 127 38.903 -22.562 -31.382 1.00 49.32 O HETATM 2676 O HOH 128 42.002 -13.998 -40.600 1.00 50.54 O HETATM 2677 O HOH 129 18.932 -23.070 -20.293 1.00 58.58 O HETATM 2678 O HOH 130 32.812 1.045 -20.457 1.00 51.49 O HETATM 2679 O HOH 131 51.616 -14.224 -40.350 1.00 58.52 O HETATM 2680 O HOH 132 43.387 -19.791 -40.592 1.00 58.88 O HETATM 2681 O HOH 133 42.120 -2.392 -30.255 1.00 55.37 O HETATM 2682 O HOH 134 32.783 -17.297 -36.404 1.00 61.99 O HETATM 2683 O HOH 135 43.140 -1.409 -27.901 1.00 60.08 O HETATM 2684 O HOH 136 32.926 -2.452 -9.547 1.00 50.50 O HETATM 2685 O HOH 137 40.596 -4.071 -33.992 1.00 65.64 O HETATM 2686 O HOH 138 27.525 -35.929 -13.855 1.00 44.53 O HETATM 2687 O HOH 139 31.054 -31.487 -18.134 1.00 35.26 O HETATM 2688 O HOH 140 29.970 -36.270 -12.082 1.00 43.18 O HETATM 2689 C ACE A 141 46.867 -12.165 -17.522 1.00 0.18 C HETATM 2690 O ACE A 141 47.413 -11.404 -16.757 1.00 -0.40 O HETATM 2691 CH3 ACE A 141 47.584 -13.405 -18.029 1.00 0.03 C HETATM 2692 H1 ACE A 141 46.921 -13.960 -18.709 1.00 0.05 H HETATM 2693 H2 ACE A 141 47.855 -14.046 -17.177 1.00 0.05 H HETATM 2694 H3 ACE A 141 48.495 -13.107 -18.568 1.00 0.05 H HETATM 2695 N ACE A 141 45.661 -11.918 -17.962 1.00 -0.26 N HETATM 2696 CA ACE A 141 44.832 -10.829 -17.356 1.00 0.14 C HETATM 2697 C ACE A 141 44.570 -11.112 -15.875 1.00 0.21 C HETATM 2698 O ACE A 141 44.257 -12.253 -15.510 1.00 -0.39 O HETATM 2699 N ACE A 141 44.707 -10.079 -15.034 1.00 -0.26 N HETATM 2700 CA ACE A 141 44.333 -10.153 -13.622 1.00 0.13 C HETATM 2701 C ACE A 141 43.236 -9.169 -13.298 1.00 0.20 C HETATM 2702 O ACE A 141 43.396 -7.962 -13.516 1.00 -0.39 O HETATM 2703 N ACE A 141 42.129 -9.659 -12.737 1.00 -0.26 N HETATM 2704 CA ACE A 141 41.112 -8.760 -12.188 1.00 0.13 C HETATM 2705 C ACE A 141 41.767 -7.934 -11.074 1.00 0.21 C HETATM 2706 O ACE A 141 42.394 -8.509 -10.187 1.00 -0.39 O HETATM 2707 N ACE A 141 41.640 -6.591 -11.121 1.00 -0.26 N HETATM 2708 CA ACE A 141 42.316 -5.806 -10.075 1.00 0.10 C HETATM 2709 C ACE A 141 41.644 -5.927 -8.697 1.00 0.06 C HETATM 2710 O ACE A 141 42.156 -5.342 -7.761 1.00 -0.57 O HETATM 2711 OXT ACE A 141 40.626 -6.595 -8.425 1.00 -0.57 O HETATM 2712 CB ACE A 141 42.282 -4.366 -10.612 1.00 -0.02 C HETATM 2713 CG ACE A 141 41.168 -4.342 -11.600 1.00 -0.03 C HETATM 2714 CD ACE A 141 41.067 -5.740 -12.172 1.00 0.04 C HETATM 2715 H41 ACE A 141 40.018 -6.009 -12.366 1.00 0.05 H HETATM 2716 H42 ACE A 141 41.645 -5.825 -13.104 1.00 0.05 H HETATM 2717 H39 ACE A 141 41.386 -3.619 -12.400 1.00 0.03 H HETATM 2718 H40 ACE A 141 40.226 -4.066 -11.103 1.00 0.03 H HETATM 2719 H37 ACE A 141 43.235 -4.114 -11.100 1.00 0.03 H HETATM 2720 H38 ACE A 141 42.088 -3.655 -9.796 1.00 0.03 H HETATM 2721 H36 ACE A 141 43.358 -6.143 -9.976 1.00 0.07 H HETATM 2722 CB ACE A 141 39.906 -9.532 -11.650 1.00 -0.01 C HETATM 2723 CG1 ACE A 141 39.010 -8.651 -10.781 1.00 -0.06 C HETATM 2724 H30 ACE A 141 38.158 -9.242 -10.416 1.00 0.02 H HETATM 2725 H31 ACE A 141 38.640 -7.804 -11.377 1.00 0.02 H HETATM 2726 H32 ACE A 141 39.587 -8.272 -9.925 1.00 0.02 H HETATM 2727 CG2 ACE A 141 39.130 -10.123 -12.827 1.00 -0.06 C HETATM 2728 H33 ACE A 141 39.802 -10.750 -13.431 1.00 0.02 H HETATM 2729 H34 ACE A 141 38.731 -9.308 -13.449 1.00 0.02 H HETATM 2730 H35 ACE A 141 38.299 -10.736 -12.448 1.00 0.02 H HETATM 2731 H29 ACE A 141 40.275 -10.359 -11.025 1.00 0.03 H HETATM 2732 H28 ACE A 141 40.765 -8.084 -12.983 1.00 0.08 H HETATM 2733 H27 ACE A 141 41.993 -10.649 -12.691 1.00 0.19 H HETATM 2734 CB ACE A 141 45.534 -9.858 -12.712 1.00 -0.01 C HETATM 2735 CG ACE A 141 46.490 -11.022 -12.508 1.00 -0.02 C HETATM 2736 CD ACE A 141 45.825 -12.203 -11.804 1.00 0.06 C HETATM 2737 NE ACE A 141 46.772 -13.289 -11.594 1.00 -0.27 N HETATM 2738 CZ ACE A 141 47.231 -14.090 -12.554 1.00 0.29 C HETATM 2739 NH1 ACE A 141 48.098 -15.046 -12.234 1.00 -0.28 N HETATM 2740 H23 ACE A 141 48.464 -15.675 -12.963 1.00 0.26 H HETATM 2741 H24 ACE A 141 48.404 -15.158 -11.257 1.00 0.26 H HETATM 2742 NH2 ACE A 141 46.840 -13.951 -13.829 1.00 -0.28 N HETATM 2743 H25 ACE A 141 46.169 -13.213 -14.084 1.00 0.26 H HETATM 2744 H26 ACE A 141 47.211 -14.582 -14.553 1.00 0.26 H HETATM 2745 H22 ACE A 141 47.111 -13.449 -10.635 1.00 0.26 H HETATM 2746 H20 ACE A 141 44.992 -12.568 -12.423 1.00 0.07 H HETATM 2747 H21 ACE A 141 45.439 -11.869 -10.829 1.00 0.07 H HETATM 2748 H18 ACE A 141 47.339 -10.680 -11.898 1.00 0.03 H HETATM 2749 H19 ACE A 141 46.855 -11.356 -13.490 1.00 0.03 H HETATM 2750 H16 ACE A 141 45.149 -9.557 -11.727 1.00 0.03 H HETATM 2751 H17 ACE A 141 46.100 -9.025 -13.155 1.00 0.03 H HETATM 2752 H15 ACE A 141 43.971 -11.171 -13.413 1.00 0.08 H HETATM 2753 H14 ACE A 141 45.081 -9.221 -15.386 1.00 0.19 H HETATM 2754 CB ACE A 141 43.507 -10.709 -18.122 1.00 0.00 C HETATM 2755 CG ACE A 141 42.426 -9.994 -17.390 1.00 -0.04 C HETATM 2756 CD1 ACE A 141 41.275 -10.536 -16.911 1.00 0.02 C HETATM 2757 NE1 ACE A 141 40.512 -9.572 -16.289 1.00 -0.29 N HETATM 2758 CE2 ACE A 141 41.181 -8.380 -16.334 1.00 0.06 C HETATM 2759 CD2 ACE A 141 42.394 -8.604 -17.037 1.00 -0.02 C HETATM 2760 CE3 ACE A 141 43.273 -7.526 -17.241 1.00 -0.07 C HETATM 2761 CZ3 ACE A 141 42.919 -6.264 -16.735 1.00 -0.08 C HETATM 2762 CH2 ACE A 141 41.696 -6.077 -16.047 1.00 -0.08 C HETATM 2763 CZ2 ACE A 141 40.817 -7.123 -15.843 1.00 -0.04 C HETATM 2764 H11 ACE A 141 39.879 -6.974 -15.321 1.00 0.05 H HETATM 2765 H13 ACE A 141 41.444 -5.092 -15.672 1.00 0.05 H HETATM 2766 H12 ACE A 141 43.590 -5.424 -16.873 1.00 0.05 H HETATM 2767 H10 ACE A 141 44.205 -7.666 -17.777 1.00 0.05 H HETATM 2768 H9 ACE A 141 39.588 -9.724 -15.860 1.00 0.22 H HETATM 2769 H8 ACE A 141 40.995 -11.584 -17.006 1.00 0.08 H HETATM 2770 H6 ACE A 141 43.151 -11.724 -18.352 1.00 0.04 H HETATM 2771 H7 ACE A 141 43.701 -10.168 -19.060 1.00 0.04 H HETATM 2772 H5 ACE A 141 45.379 -9.878 -17.441 1.00 0.08 H HETATM 2773 H4 ACE A 141 45.288 -12.463 -18.713 1.00 0.19 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1275 1276 1283 1284 1285 CONECT 1283 1275 CONECT 1284 1275 CONECT 1285 1275 CONECT 2689 2690 2691 2695 CONECT 2690 2689 CONECT 2691 2689 2692 2693 2694 CONECT 2692 2691 CONECT 2693 2691 CONECT 2694 2691 CONECT 2695 2689 2696 2773 CONECT 2696 2695 2697 2754 2772 CONECT 2697 2696 2698 2699 CONECT 2698 2697 CONECT 2699 2697 2700 2753 CONECT 2700 2699 2701 2734 2752 CONECT 2701 2700 2702 2703 CONECT 2702 2701 CONECT 2703 2701 2704 2733 CONECT 2704 2703 2705 2722 2732 CONECT 2705 2704 2706 2707 CONECT 2706 2705 CONECT 2707 2705 2708 2714 CONECT 2708 2707 2709 2712 2721 CONECT 2709 2708 2710 2711 CONECT 2710 2709 CONECT 2711 2709 CONECT 2712 2708 2713 2719 2720 CONECT 2713 2712 2714 2717 2718 CONECT 2714 2707 2713 2715 2716 CONECT 2715 2714 CONECT 2716 2714 CONECT 2717 2713 CONECT 2718 2713 CONECT 2719 2712 CONECT 2720 2712 CONECT 2721 2708 CONECT 2722 2704 2723 2727 2731 CONECT 2723 2722 2724 2725 2726 CONECT 2724 2723 CONECT 2725 2723 CONECT 2726 2723 CONECT 2727 2722 2728 2729 2730 CONECT 2728 2727 CONECT 2729 2727 CONECT 2730 2727 CONECT 2731 2722 CONECT 2732 2704 CONECT 2733 2703 CONECT 2734 2700 2735 2750 2751 CONECT 2735 2734 2736 2748 2749 CONECT 2736 2735 2737 2746 2747 CONECT 2737 2736 2738 2745 CONECT 2738 2737 2739 2742 CONECT 2739 2738 2740 2741 CONECT 2740 2739 CONECT 2741 2739 CONECT 2742 2738 2743 2744 CONECT 2743 2742 CONECT 2744 2742 CONECT 2745 2737 CONECT 2746 2736 CONECT 2747 2736 CONECT 2748 2735 CONECT 2749 2735 CONECT 2750 2734 CONECT 2751 2734 CONECT 2752 2700 CONECT 2753 2699 CONECT 2754 2696 2755 2770 2771 CONECT 2755 2754 2756 2759 CONECT 2756 2755 2757 2769 CONECT 2757 2756 2758 2768 CONECT 2758 2757 2759 2763 CONECT 2759 2755 2758 2760 CONECT 2760 2759 2761 2767 CONECT 2761 2760 2762 2766 CONECT 2762 2761 2763 2765 CONECT 2763 2758 2762 2764 CONECT 2764 2763 CONECT 2765 2762 CONECT 2766 2761 CONECT 2767 2760 CONECT 2768 2757 CONECT 2769 2756 CONECT 2770 2754 CONECT 2771 2754 CONECT 2772 2696 CONECT 2773 2695 MASTER 0 0 0 0 0 0 0 0 2771 2 93 20 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
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Related entries of code: 5h7h
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
3lbz
RCSB PDB
PDBbind
127aa, >3LBZ_1|Chains... at 96%
5mw2
RCSB PDB
PDBbind
126aa, >5MW2_1|Chain... at 96%
5mw6
RCSB PDB
PDBbind
126aa, >5MW6_1|Chains... at 96%
5mwd
RCSB PDB
PDBbind
126aa, >5MWD_1|Chain... at 96%
5n1x
RCSB PDB
PDBbind
118aa, >5N1X_3|Chain... at 96%
5n1z
RCSB PDB
PDBbind
123aa, >5N1Z_1|Chain... at 97%
5n20
RCSB PDB
PDBbind
123aa, >5N20_1|Chain... at 97%
5n21
RCSB PDB
PDBbind
122aa, >5N21_1|Chains... at 97%
5x4m
RCSB PDB
PDBbind
141aa, >5X4M_1|Chain... at 100%
5x4n
RCSB PDB
PDBbind
141aa, >5X4N_1|Chain... at 100%
5x4o
RCSB PDB
PDBbind
141aa, >5X4O_1|Chain... at 100%
5x4p
RCSB PDB
PDBbind
141aa, >5X4P_1|Chain... at 100%
5x4q
RCSB PDB
PDBbind
141aa, >5X4Q_1|Chain... at 100%
5x9o
RCSB PDB
PDBbind
141aa, >5X9O_1|Chain... at 100%
5x9p
RCSB PDB
PDBbind
141aa, >5X9P_1|Chain... at 100%
6ew6
RCSB PDB
PDBbind
123aa, >6EW6_1|Chain... at 96%
6ew7
RCSB PDB
PDBbind
122aa, >6EW7_1|Chains... at 97%
6cq1
RCSB PDB
PDBbind
131aa, >6CQ1_1|Chains... at 92%
6c3n
RCSB PDB
PDBbind
131aa, >6C3N_1|Chains... at 92%
6c3l
RCSB PDB
PDBbind
131aa, >6C3L_1|Chains... at 92%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1apv
RCSB PDB
PDBbind
5-mer
1apw
RCSB PDB
PDBbind
5-mer
1b6j
RCSB PDB
PDBbind
5-mer
1bhf
RCSB PDB
PDBbind
5-mer
1cpi
RCSB PDB
PDBbind
5-mer
1f1j
RCSB PDB
PDBbind
5-mer
1f9e
RCSB PDB
PDBbind
5-mer
1fch
RCSB PDB
PDBbind
5-mer
1fiv
RCSB PDB
PDBbind
5-mer
1fyr
RCSB PDB
PDBbind
5-mer
1gny
RCSB PDB
PDBbind
5-mer
1gu3
RCSB PDB
PDBbind
5-mer
1h5v
RCSB PDB
PDBbind
5-mer
1h9l
RCSB PDB
PDBbind
5-mer
1hef
RCSB PDB
PDBbind
5-mer
1iau
RCSB PDB
PDBbind
5-mer
1jq8
RCSB PDB
PDBbind
5-mer
1jq9
RCSB PDB
PDBbind
5-mer
1k9q
RCSB PDB
PDBbind
5-mer
1m7i
RCSB PDB
PDBbind
5-mer
1mf4
RCSB PDB
PDBbind
5-mer
1mhw
RCSB PDB
PDBbind
5-mer
1nh0
RCSB PDB
PDBbind
5-mer
1ny2
RCSB PDB
PDBbind
5-mer
1o9d
RCSB PDB
PDBbind
5-mer
1p02
RCSB PDB
PDBbind
5-mer
1p03
RCSB PDB
PDBbind
5-mer
1p04
RCSB PDB
PDBbind
5-mer
1p05
RCSB PDB
PDBbind
5-mer
1p06
RCSB PDB
PDBbind
5-mer
1p10
RCSB PDB
PDBbind
5-mer
1pau
RCSB PDB
PDBbind
5-mer
1qm5
RCSB PDB
PDBbind
5-mer
1qtn
RCSB PDB
PDBbind
5-mer
1shd
RCSB PDB
PDBbind
5-mer
1t37
RCSB PDB
PDBbind
5-mer
1tmb
RCSB PDB
PDBbind
5-mer
1w9u
RCSB PDB
PDBbind
5-mer
1w9v
RCSB PDB
PDBbind
5-mer
1waw
RCSB PDB
PDBbind
5-mer
1wb0
RCSB PDB
PDBbind
5-mer
1ym4
RCSB PDB
PDBbind
5-mer
1zm6
RCSB PDB
PDBbind
5-mer
2bcd
RCSB PDB
PDBbind
5-mer
2ce9
RCSB PDB
PDBbind
5-mer
2fgu
RCSB PDB
PDBbind
5-mer
2fgv
RCSB PDB
PDBbind
5-mer
2h5d
RCSB PDB
PDBbind
5-mer
2h5i
RCSB PDB
PDBbind
5-mer
2h5j
RCSB PDB
PDBbind
5-mer
2j9a
RCSB PDB
PDBbind
5-mer
2k1q
RCSB PDB
PDBbind
5-mer
2l6j
RCSB PDB
PDBbind
5-mer
2lpr
RCSB PDB
PDBbind
5-mer
2m0u
RCSB PDB
PDBbind
5-mer
2m0v
RCSB PDB
PDBbind
5-mer
2pcu
RCSB PDB
PDBbind
5-mer
2ql5
RCSB PDB
PDBbind
5-mer
2ql7
RCSB PDB
PDBbind
5-mer
2ql9
RCSB PDB
PDBbind
5-mer
2qlb
RCSB PDB
PDBbind
5-mer
2qlf
RCSB PDB
PDBbind
5-mer
2qlj
RCSB PDB
PDBbind
5-mer
3atw
RCSB PDB
PDBbind
5-mer
3ayc
RCSB PDB
PDBbind
5-mer
3c88
RCSB PDB
PDBbind
5-mer
3c89
RCSB PDB
PDBbind
5-mer
3c8a
RCSB PDB
PDBbind
5-mer
3c8b
RCSB PDB
PDBbind
5-mer
3chf
RCSB PDB
PDBbind
5-mer
3e7a
RCSB PDB
PDBbind
5-mer
3gjq
RCSB PDB
PDBbind
5-mer
3gjs
RCSB PDB
PDBbind
5-mer
3gjt
RCSB PDB
PDBbind
5-mer
3ibc
RCSB PDB
PDBbind
5-mer
3iqg
RCSB PDB
PDBbind
5-mer
3iqh
RCSB PDB
PDBbind
5-mer
3iqi
RCSB PDB
PDBbind
5-mer
3jzh
RCSB PDB
PDBbind
5-mer
3k05
RCSB PDB
PDBbind
5-mer
3k0h
RCSB PDB
PDBbind
5-mer
3k15
RCSB PDB
PDBbind
5-mer
3lpr
RCSB PDB
PDBbind
5-mer
3mp1
RCSB PDB
PDBbind
5-mer
3nin
RCSB PDB
PDBbind
5-mer
3nzw
RCSB PDB
PDBbind
5-mer
3nzx
RCSB PDB
PDBbind
5-mer
3ov1
RCSB PDB
PDBbind
5-mer
3ove
RCSB PDB
PDBbind
5-mer
3oyp
RCSB PDB
PDBbind
5-mer
3qw5
RCSB PDB
PDBbind
5-mer
3qw6
RCSB PDB
PDBbind
5-mer
3qw7
RCSB PDB
PDBbind
5-mer
3qw8
RCSB PDB
PDBbind
5-mer
3r7b
RCSB PDB
PDBbind
5-mer
3r7n
RCSB PDB
PDBbind
5-mer
3s8l
RCSB PDB
PDBbind
5-mer
3s8n
RCSB PDB
PDBbind
5-mer
3s8o
RCSB PDB
PDBbind
5-mer
3sxu
RCSB PDB
PDBbind
5-mer
3t6b
RCSB PDB
PDBbind
5-mer
3t6j
RCSB PDB
PDBbind
5-mer
3th0
RCSB PDB
PDBbind
5-mer
3u1i
RCSB PDB
PDBbind
5-mer
3u4w
RCSB PDB
PDBbind
5-mer
3vb4
RCSB PDB
PDBbind
5-mer
3vb5
RCSB PDB
PDBbind
5-mer
3vb7
RCSB PDB
PDBbind
5-mer
3wqv
RCSB PDB
PDBbind
5-mer
4czs
RCSB PDB
PDBbind
5-mer
4d8i
RCSB PDB
PDBbind
5-mer
4dkt
RCSB PDB
PDBbind
5-mer
4est
RCSB PDB
PDBbind
5-mer
4gm3
RCSB PDB
PDBbind
5-mer
4gm8
RCSB PDB
PDBbind
5-mer
4i9c
RCSB PDB
PDBbind
5-mer
4j78
RCSB PDB
PDBbind
5-mer
4j81
RCSB PDB
PDBbind
5-mer
4j82
RCSB PDB
PDBbind
5-mer
4j84
RCSB PDB
PDBbind
5-mer
4k3m
RCSB PDB
PDBbind
5-mer
4kvm
RCSB PDB
PDBbind
5-mer
4l6t
RCSB PDB
PDBbind
5-mer
4lte
RCSB PDB
PDBbind
5-mer
4omc
RCSB PDB
PDBbind
5-mer
4omd
RCSB PDB
PDBbind
5-mer
4pry
RCSB PDB
PDBbind
5-mer
4ps0
RCSB PDB
PDBbind
5-mer
4ps1
RCSB PDB
PDBbind
5-mer
4q6f
RCSB PDB
PDBbind
5-mer
4rcp
RCSB PDB
PDBbind
5-mer
4rsp
RCSB PDB
PDBbind
5-mer
4ryd
RCSB PDB
PDBbind
5-mer
4sga
RCSB PDB
PDBbind
5-mer
4whh
RCSB PDB
PDBbind
5-mer
4whl
RCSB PDB
PDBbind
5-mer
4wvs
RCSB PDB
PDBbind
5-mer
4wvu
RCSB PDB
PDBbind
5-mer
4x13
RCSB PDB
PDBbind
5-mer
4x9w
RCSB PDB
PDBbind
5-mer
4yec
RCSB PDB
PDBbind
5-mer
4yv8
RCSB PDB
PDBbind
5-mer
4z5w
RCSB PDB
PDBbind
5-mer
4z7q
RCSB PDB
PDBbind
5-mer
4zro
RCSB PDB
PDBbind
5-mer
5axi
RCSB PDB
PDBbind
5-mer
5bmm
RCSB PDB
PDBbind
5-mer
5btr
RCSB PDB
PDBbind
5-mer
5e3a
RCSB PDB
PDBbind
5-mer
5e8f
RCSB PDB
PDBbind
5-mer
5eld
RCSB PDB
PDBbind
5-mer
5ele
RCSB PDB
PDBbind
5-mer
5elf
RCSB PDB
PDBbind
5-mer
5f5b
RCSB PDB
PDBbind
5-mer
5icv
RCSB PDB
PDBbind
5-mer
5jr6
RCSB PDB
PDBbind
5-mer
5lpr
RCSB PDB
PDBbind
5-mer
5n99
RCSB PDB
PDBbind
5-mer
5nwi
RCSB PDB
PDBbind
5-mer
5nwk
RCSB PDB
PDBbind
5-mer
5ttw
RCSB PDB
PDBbind
5-mer
5x54
RCSB PDB
PDBbind
5-mer
5yc1
RCSB PDB
PDBbind
5-mer
5zob
RCSB PDB
PDBbind
5-mer
6ax4
RCSB PDB
PDBbind
5-mer
6b5q
RCSB PDB
PDBbind
5-mer
6eqv
RCSB PDB
PDBbind
5-mer
6eqw
RCSB PDB
PDBbind
5-mer
6lpr
RCSB PDB
PDBbind
5-mer
6mub
RCSB PDB
PDBbind
5-mer
7lpr
RCSB PDB
PDBbind
5-mer
8lpr
RCSB PDB
PDBbind
5-mer
9lpr
RCSB PDB
PDBbind
5-mer
6hzb
RCSB PDB
PDBbind
5-mer
6hza
RCSB PDB
PDBbind
5-mer
6hv2
RCSB PDB
PDBbind
5-mer
6dn6
RCSB PDB
PDBbind
5-mer
Entry Information
PDB ID
5h7h
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
B-cell lymphoma 6 protein (BCL6 BTB domain)
Ligand Name
5-mer
EC.Number
E.C.-.-.-.-
Resolution
1.95(Å)
Affinity (Kd/Ki/IC50)
IC50=170uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) Biochem. Biophys. Res. Commun. Vol. 482: pp. 310-316
Ligand Properties
Formula
C
2
9
H
4
3
N
8
O
6
Molecular Weight
599.702
Exact Mass
599.331
No. of atoms
86
No. of bonds
88
Polar Surface Area
226.71
LOGP Value
3.55 (
Computed with XLOGP3
)
0.56 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 17
No. of Nitrogen and Oxygen Atoms: 14
No. of Rings: 3
Canonical SMILES
CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)C(C)C)CCC[NH+]=C(N)N)Cc1c[nH]c2c1cccc2
InChI String
InChI=1S/C29H42N8O6/c1-16(2)24(27(41)37-13-7-11-23(37)28(42)43)36-25(39)21(10-6-12-32-29(30)31)35-26(40)22(34-17(3)38)14-18-15-33-20-9-5-4-8-19(18)20/h4-5,8-9,15-16,21-24,33H,6-7,10-14H2,1-3H3,(H,34,38)(H,35,40)(H,36,39)(H,42,43)(H4,30,31,32)/p+1/t21-,22-,23-,24-/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):
P41182
Entrez Gene ID
NCBI Entrez Gene ID:
604
ASD
Information of known allosteric effects of PDB entries
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