Browse entries in the PDBbind-CN Database
HEADER 6EW7_COMPLEX COMPND 6EW7_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 122 SER GLN ILE GLN PHE THR ARG HIS ALA SER ASP VAL LEU SEQRES 2 A 122 LEU ASN LEU ASN ARG LEU ARG SER ARG ASP ILE LEU THR SEQRES 3 A 122 ASP VAL VAL ILE VAL VAL SER ARG GLU GLN PHE ARG ALA SEQRES 4 A 122 HIS LYS THR VAL LEU MET ALA CYS SER GLY LEU PHE TYR SEQRES 5 A 122 SER ILE PHE THR ASP GLN LEU LYS ARG ASN LEU SER VAL SEQRES 6 A 122 ILE ASN LEU ASP PRO GLU ILE ASN PRO GLU GLY PHE ASN SEQRES 7 A 122 ILE LEU LEU ASP PHE MET TYR THR SER ARG LEU ASN LEU SEQRES 8 A 122 ARG GLU GLY ASN ILE MET ALA VAL MET ALA THR ALA MET SEQRES 9 A 122 TYR LEU GLN MET GLU HIS VAL VAL ASP THR CYS ARG LYS SEQRES 10 A 122 PHE ILE LYS ALA SER SEQRES 1 B 122 SER GLN ILE GLN PHE THR ARG HIS ALA SER ASP VAL LEU SEQRES 2 B 122 LEU ASN LEU ASN ARG LEU ARG SER ARG ASP ILE LEU THR SEQRES 3 B 122 ASP VAL VAL ILE VAL VAL SER ARG GLU GLN PHE ARG ALA SEQRES 4 B 122 HIS LYS THR VAL LEU MET ALA CYS SER GLY LEU PHE TYR SEQRES 5 B 122 SER ILE PHE THR ASP GLN LEU LYS ARG ASN LEU SER VAL SEQRES 6 B 122 ILE ASN LEU ASP PRO GLU ILE ASN PRO GLU GLY PHE ASN SEQRES 7 B 122 ILE LEU LEU ASP PHE MET TYR THR SER ARG LEU ASN LEU SEQRES 8 B 122 ARG GLU GLY ASN ILE MET ALA VAL MET ALA THR ALA MET SEQRES 9 B 122 TYR LEU GLN MET GLU HIS VAL VAL ASP THR CYS ARG LYS SEQRES 10 B 122 PHE ILE LYS ALA SER HET C A 1W 36 ATOM 1 N SER A 7 23.782 18.098 -19.454 1.00 33.54 N ATOM 2 CA SER A 7 23.074 16.942 -18.915 1.00 32.46 C ATOM 3 C SER A 7 21.929 16.482 -19.836 1.00 30.96 C ATOM 4 O SER A 7 21.599 17.148 -20.814 1.00 31.31 O ATOM 5 CB SER A 7 22.563 17.248 -17.509 1.00 37.42 C ATOM 6 OG SER A 7 22.595 16.098 -16.681 1.00 48.38 O ATOM 7 HG SER A 7 22.258 16.332 -15.780 1.00 0.00 H ATOM 8 HN3 SER A 7 23.117 18.890 -19.565 1.00 0.00 H ATOM 9 HN2 SER A 7 24.189 17.853 -20.379 1.00 0.00 H ATOM 10 HN1 SER A 7 24.544 18.372 -18.801 1.00 0.00 H ATOM 11 N GLN A 8 21.349 15.325 -19.518 1.00 22.44 N ATOM 12 CA GLN A 8 20.260 14.656 -20.234 1.00 19.54 C ATOM 13 C GLN A 8 18.955 15.467 -20.314 1.00 19.15 C ATOM 14 O GLN A 8 18.721 16.345 -19.486 1.00 17.34 O ATOM 15 CB GLN A 8 20.002 13.291 -19.565 1.00 19.78 C ATOM 16 CG GLN A 8 21.173 12.334 -19.738 1.00 21.12 C ATOM 17 CD GLN A 8 20.958 10.975 -19.133 1.00 28.51 C ATOM 18 OE1 GLN A 8 21.797 10.471 -18.399 1.00 27.96 O ATOM 19 NE2 GLN A 8 19.886 10.312 -19.501 1.00 21.90 N ATOM 20 HE22 GLN A 8 19.186 10.761 -20.126 1.00 0.00 H ATOM 21 HE21 GLN A 8 19.737 9.338 -19.168 1.00 0.00 H ATOM 22 H GLN A 8 21.709 14.845 -18.669 1.00 0.00 H ATOM 23 N ILE A 9 18.107 15.172 -21.322 1.00 14.13 N ATOM 24 CA ILE A 9 16.818 15.856 -21.490 1.00 13.66 C ATOM 25 C ILE A 9 15.819 15.352 -20.433 1.00 16.60 C ATOM 26 O ILE A 9 15.668 14.129 -20.285 1.00 15.83 O ATOM 27 CB ILE A 9 16.261 15.689 -22.937 1.00 16.03 C ATOM 28 CG1 ILE A 9 17.288 16.192 -24.004 1.00 17.06 C ATOM 29 CG2 ILE A 9 14.892 16.374 -23.087 1.00 14.94 C ATOM 30 CD1 ILE A 9 16.946 15.823 -25.399 1.00 16.61 C ATOM 31 H ILE A 9 18.376 14.434 -22.004 1.00 0.00 H ATOM 32 N GLN A 10 15.149 16.277 -19.713 1.00 13.42 N ATOM 33 CA GLN A 10 14.172 15.951 -18.673 1.00 13.14 C ATOM 34 C GLN A 10 12.731 15.950 -19.205 1.00 16.27 C ATOM 35 O GLN A 10 12.282 16.924 -19.798 1.00 16.60 O ATOM 36 CB GLN A 10 14.346 16.891 -17.455 1.00 14.63 C ATOM 37 CG GLN A 10 13.312 16.779 -16.304 1.00 30.64 C ATOM 38 CD GLN A 10 13.153 15.415 -15.646 1.00 42.24 C ATOM 39 OE1 GLN A 10 14.089 14.609 -15.539 1.00 32.39 O ATOM 40 NE2 GLN A 10 11.956 15.155 -15.129 1.00 32.72 N ATOM 41 HE22 GLN A 10 11.185 15.845 -15.230 1.00 0.00 H ATOM 42 HE21 GLN A 10 11.791 14.261 -14.623 1.00 0.00 H ATOM 43 H GLN A 10 15.338 17.281 -19.909 1.00 0.00 H ATOM 44 N PHE A 11 12.016 14.843 -18.998 1.00 11.55 N ATOM 45 CA PHE A 11 10.613 14.692 -19.353 1.00 10.80 C ATOM 46 C PHE A 11 9.847 14.825 -18.029 1.00 15.77 C ATOM 47 O PHE A 11 9.752 13.865 -17.257 1.00 14.30 O ATOM 48 CB PHE A 11 10.374 13.316 -20.015 1.00 11.60 C ATOM 49 CG PHE A 11 10.854 13.225 -21.448 1.00 12.03 C ATOM 50 CD1 PHE A 11 12.213 13.311 -21.755 1.00 13.07 C ATOM 51 CD2 PHE A 11 9.961 12.970 -22.480 1.00 13.40 C ATOM 52 CE1 PHE A 11 12.658 13.206 -23.088 1.00 15.18 C ATOM 53 CE2 PHE A 11 10.410 12.815 -23.803 1.00 15.57 C ATOM 54 CZ PHE A 11 11.757 12.941 -24.096 1.00 14.35 C ATOM 55 H PHE A 11 12.494 14.033 -18.553 1.00 0.00 H ATOM 56 N THR A 12 9.331 16.034 -17.727 1.00 14.00 N ATOM 57 CA THR A 12 8.698 16.253 -16.426 1.00 14.70 C ATOM 58 C THR A 12 7.386 15.475 -16.170 1.00 18.97 C ATOM 59 O THR A 12 6.963 15.419 -15.018 1.00 20.19 O ATOM 60 CB THR A 12 8.475 17.749 -16.142 1.00 23.78 C ATOM 61 OG1 THR A 12 7.583 18.293 -17.112 1.00 29.10 O ATOM 62 CG2 THR A 12 9.785 18.539 -16.038 1.00 23.33 C ATOM 63 HG1 THR A 12 7.973 18.184 -18.015 1.00 0.00 H ATOM 64 H THR A 12 9.383 16.810 -18.418 1.00 0.00 H ATOM 65 N ARG A 13 6.763 14.882 -17.203 1.00 14.11 N ATOM 66 CA ARG A 13 5.499 14.160 -17.026 1.00 13.63 C ATOM 67 C ARG A 13 5.704 12.644 -17.066 1.00 14.17 C ATOM 68 O ARG A 13 4.768 11.889 -16.775 1.00 13.91 O ATOM 69 CB ARG A 13 4.475 14.566 -18.110 1.00 16.86 C ATOM 70 CG ARG A 13 4.057 16.042 -18.054 1.00 31.81 C ATOM 71 CD ARG A 13 2.763 16.296 -18.815 1.00 45.57 C ATOM 72 NE ARG A 13 2.953 16.362 -20.267 1.00 60.04 N ATOM 73 CZ ARG A 13 2.441 15.493 -21.136 1.00 79.94 C ATOM 74 NH1 ARG A 13 1.699 14.476 -20.711 1.00 69.28 N ATOM 75 NH2 ARG A 13 2.666 15.634 -22.435 1.00 68.66 N ATOM 76 HE ARG A 13 3.528 17.142 -20.645 1.00 0.00 H ATOM 77 HH12 ARG A 13 1.302 13.801 -21.395 1.00 0.00 H ATOM 78 HH11 ARG A 13 1.515 14.355 -19.694 1.00 0.00 H ATOM 79 HH22 ARG A 13 2.264 14.952 -23.109 1.00 0.00 H ATOM 80 HH21 ARG A 13 3.245 16.426 -22.779 1.00 0.00 H ATOM 81 H ARG A 13 7.188 14.937 -18.151 1.00 0.00 H ATOM 82 N HIS A 14 6.910 12.198 -17.426 1.00 9.94 N ATOM 83 CA HIS A 14 7.163 10.767 -17.580 1.00 8.18 C ATOM 84 C HIS A 14 6.879 9.939 -16.303 1.00 10.81 C ATOM 85 O HIS A 14 6.196 8.914 -16.379 1.00 10.47 O ATOM 86 CB HIS A 14 8.574 10.532 -18.105 1.00 8.64 C ATOM 87 CG HIS A 14 8.901 9.076 -18.243 1.00 12.12 C ATOM 88 ND1 HIS A 14 8.422 8.322 -19.304 1.00 13.72 N ATOM 89 CD2 HIS A 14 9.604 8.275 -17.419 1.00 13.02 C ATOM 90 CE1 HIS A 14 8.877 7.094 -19.101 1.00 12.24 C ATOM 91 NE2 HIS A 14 9.586 7.017 -17.979 1.00 12.16 N ATOM 92 H HIS A 14 7.678 12.877 -17.599 1.00 0.00 H ATOM 93 N ALA A 15 7.377 10.382 -15.148 1.00 10.12 N ATOM 94 CA ALA A 15 7.139 9.634 -13.900 1.00 9.81 C ATOM 95 C ALA A 15 5.649 9.475 -13.605 1.00 10.49 C ATOM 96 O ALA A 15 5.208 8.372 -13.268 1.00 11.32 O ATOM 97 CB ALA A 15 7.832 10.302 -12.737 1.00 11.45 C ATOM 98 H ALA A 15 7.936 11.259 -15.127 1.00 0.00 H ATOM 99 N SER A 16 4.867 10.571 -13.755 1.00 6.74 N ATOM 100 CA SER A 16 3.425 10.536 -13.503 1.00 7.17 C ATOM 101 C SER A 16 2.721 9.609 -14.495 1.00 10.36 C ATOM 102 O SER A 16 1.781 8.896 -14.106 1.00 11.12 O ATOM 103 CB SER A 16 2.829 11.940 -13.561 1.00 11.00 C ATOM 104 OG SER A 16 2.933 12.493 -14.862 1.00 20.14 O ATOM 105 HG SER A 16 3.887 12.545 -15.122 1.00 0.00 H ATOM 106 H SER A 16 5.304 11.465 -14.058 1.00 0.00 H ATOM 107 N ASP A 17 3.165 9.639 -15.774 1.00 8.12 N ATOM 108 CA ASP A 17 2.611 8.794 -16.849 1.00 8.35 C ATOM 109 C ASP A 17 2.836 7.304 -16.538 1.00 10.77 C ATOM 110 O ASP A 17 1.917 6.504 -16.702 1.00 12.07 O ATOM 111 CB ASP A 17 3.252 9.140 -18.210 1.00 10.41 C ATOM 112 CG ASP A 17 2.820 10.449 -18.861 1.00 18.43 C ATOM 113 OD1 ASP A 17 1.897 11.129 -18.313 1.00 15.88 O ATOM 114 OD2 ASP A 17 3.352 10.768 -19.944 1.00 27.38 O ATOM 115 H ASP A 17 3.938 10.293 -16.011 1.00 0.00 H ATOM 116 N VAL A 18 4.035 6.945 -16.020 1.00 8.14 N ATOM 117 CA VAL A 18 4.390 5.562 -15.664 1.00 7.16 C ATOM 118 C VAL A 18 3.469 5.116 -14.492 1.00 10.08 C ATOM 119 O VAL A 18 2.879 4.037 -14.555 1.00 8.68 O ATOM 120 CB VAL A 18 5.904 5.453 -15.269 1.00 11.77 C ATOM 121 CG1 VAL A 18 6.197 4.166 -14.509 1.00 11.55 C ATOM 122 CG2 VAL A 18 6.820 5.580 -16.498 1.00 11.14 C ATOM 123 H VAL A 18 4.745 7.689 -15.865 1.00 0.00 H ATOM 124 N LEU A 19 3.359 5.938 -13.425 1.00 7.27 N ATOM 125 CA LEU A 19 2.516 5.569 -12.300 1.00 7.93 C ATOM 126 C LEU A 19 1.058 5.384 -12.753 1.00 11.52 C ATOM 127 O LEU A 19 0.468 4.381 -12.400 1.00 10.85 O ATOM 128 CB LEU A 19 2.635 6.593 -11.156 1.00 9.31 C ATOM 129 CG LEU A 19 2.160 6.093 -9.803 1.00 12.32 C ATOM 130 CD1 LEU A 19 3.001 4.877 -9.311 1.00 13.01 C ATOM 131 CD2 LEU A 19 2.179 7.219 -8.781 1.00 14.95 C ATOM 132 H LEU A 19 3.880 6.838 -13.409 1.00 0.00 H ATOM 133 N LEU A 20 0.519 6.284 -13.596 1.00 9.36 N ATOM 134 CA LEU A 20 -0.859 6.107 -14.082 1.00 8.97 C ATOM 135 C LEU A 20 -1.024 4.771 -14.795 1.00 9.30 C ATOM 136 O LEU A 20 -1.994 4.068 -14.538 1.00 8.04 O ATOM 137 CB LEU A 20 -1.294 7.268 -14.988 1.00 10.17 C ATOM 138 CG LEU A 20 -2.652 7.200 -15.713 1.00 16.29 C ATOM 139 CD1 LEU A 20 -3.820 6.968 -14.750 1.00 18.30 C ATOM 140 CD2 LEU A 20 -2.882 8.461 -16.498 1.00 20.65 C ATOM 141 H LEU A 20 1.077 7.106 -13.904 1.00 0.00 H ATOM 142 N ASN A 21 -0.047 4.402 -15.639 1.00 7.26 N ATOM 143 CA ASN A 21 -0.111 3.149 -16.402 1.00 5.69 C ATOM 144 C ASN A 21 0.008 1.929 -15.488 1.00 8.90 C ATOM 145 O ASN A 21 -0.672 0.922 -15.724 1.00 7.72 O ATOM 146 CB ASN A 21 0.936 3.155 -17.525 1.00 7.42 C ATOM 147 CG ASN A 21 0.448 3.964 -18.702 1.00 17.85 C ATOM 148 OD1 ASN A 21 -0.719 4.356 -18.751 1.00 9.69 O ATOM 149 ND2 ASN A 21 1.312 4.216 -19.678 1.00 14.85 N ATOM 150 HD22 ASN A 21 2.291 3.872 -19.608 1.00 0.00 H ATOM 151 HD21 ASN A 21 1.010 4.758 -20.513 1.00 0.00 H ATOM 152 H ASN A 21 0.780 5.022 -15.756 1.00 0.00 H ATOM 153 N LEU A 22 0.818 2.033 -14.410 1.00 4.75 N ATOM 154 CA LEU A 22 0.913 0.932 -13.428 1.00 5.28 C ATOM 155 C LEU A 22 -0.448 0.762 -12.700 1.00 7.75 C ATOM 156 O LEU A 22 -0.842 -0.366 -12.392 1.00 8.67 O ATOM 157 CB LEU A 22 2.061 1.169 -12.413 1.00 5.57 C ATOM 158 CG LEU A 22 3.479 1.169 -12.973 1.00 9.13 C ATOM 159 CD1 LEU A 22 4.493 1.503 -11.891 1.00 9.08 C ATOM 160 CD2 LEU A 22 3.831 -0.156 -13.630 1.00 11.42 C ATOM 161 H LEU A 22 1.380 2.897 -14.270 1.00 0.00 H ATOM 162 N ASN A 23 -1.147 1.891 -12.417 1.00 6.23 N ATOM 163 CA ASN A 23 -2.448 1.817 -11.770 1.00 6.90 C ATOM 164 C ASN A 23 -3.462 1.221 -12.720 1.00 9.46 C ATOM 165 O ASN A 23 -4.296 0.428 -12.293 1.00 9.60 O ATOM 166 CB ASN A 23 -2.919 3.192 -11.251 1.00 9.61 C ATOM 167 CG ASN A 23 -3.969 3.044 -10.167 1.00 10.63 C ATOM 168 OD1 ASN A 23 -4.087 2.000 -9.520 1.00 10.04 O ATOM 169 ND2 ASN A 23 -4.783 4.078 -9.948 1.00 12.38 N ATOM 170 HD22 ASN A 23 -4.673 4.952 -10.500 1.00 0.00 H ATOM 171 HD21 ASN A 23 -5.528 4.010 -9.225 1.00 0.00 H ATOM 172 H ASN A 23 -0.748 2.819 -12.665 1.00 0.00 H ATOM 173 N ARG A 24 -3.352 1.521 -14.045 1.00 6.77 N ATOM 174 CA ARG A 24 -4.273 0.924 -15.017 1.00 6.28 C ATOM 175 C ARG A 24 -4.022 -0.592 -15.080 1.00 9.85 C ATOM 176 O ARG A 24 -4.975 -1.361 -15.115 1.00 9.81 O ATOM 177 CB ARG A 24 -4.110 1.561 -16.402 1.00 6.44 C ATOM 178 CG ARG A 24 -4.523 3.036 -16.430 1.00 8.35 C ATOM 179 CD ARG A 24 -3.998 3.723 -17.676 1.00 13.16 C ATOM 180 NE ARG A 24 -4.693 4.984 -17.938 1.00 13.75 N ATOM 181 CZ ARG A 24 -4.299 5.881 -18.833 1.00 26.43 C ATOM 182 NH1 ARG A 24 -3.187 5.683 -19.541 1.00 18.25 N ATOM 183 NH2 ARG A 24 -5.002 6.992 -19.022 1.00 20.56 N ATOM 184 HE ARG A 24 -5.551 5.190 -17.387 1.00 0.00 H ATOM 185 HH12 ARG A 24 -2.883 6.390 -20.241 1.00 0.00 H ATOM 186 HH11 ARG A 24 -2.623 4.822 -19.393 1.00 0.00 H ATOM 187 HH22 ARG A 24 -4.689 7.692 -19.725 1.00 0.00 H ATOM 188 HH21 ARG A 24 -5.865 7.162 -18.467 1.00 0.00 H ATOM 189 H ARG A 24 -2.612 2.176 -14.368 1.00 0.00 H ATOM 190 N LEU A 25 -2.746 -1.020 -15.026 1.00 6.50 N ATOM 191 CA LEU A 25 -2.449 -2.447 -15.029 1.00 6.81 C ATOM 192 C LEU A 25 -3.065 -3.108 -13.794 1.00 11.34 C ATOM 193 O LEU A 25 -3.684 -4.164 -13.920 1.00 10.47 O ATOM 194 CB LEU A 25 -0.938 -2.679 -15.091 1.00 7.69 C ATOM 195 CG LEU A 25 -0.272 -2.332 -16.434 1.00 8.83 C ATOM 196 CD1 LEU A 25 1.240 -2.603 -16.372 1.00 11.06 C ATOM 197 CD2 LEU A 25 -0.936 -3.055 -17.609 1.00 12.37 C ATOM 198 H LEU A 25 -1.970 -0.329 -14.982 1.00 0.00 H ATOM 199 N ARG A 26 -2.943 -2.460 -12.606 1.00 6.76 N ATOM 200 CA ARG A 26 -3.526 -2.970 -11.357 1.00 6.76 C ATOM 201 C ARG A 26 -5.048 -3.149 -11.524 1.00 10.05 C ATOM 202 O ARG A 26 -5.587 -4.197 -11.168 1.00 10.88 O ATOM 203 CB ARG A 26 -3.209 -2.073 -10.139 1.00 7.32 C ATOM 204 CG ARG A 26 -3.791 -2.613 -8.825 1.00 8.96 C ATOM 205 CD ARG A 26 -3.426 -1.852 -7.551 1.00 12.77 C ATOM 206 NE ARG A 26 -3.802 -0.432 -7.583 1.00 14.76 N ATOM 207 CZ ARG A 26 -4.655 0.153 -6.736 1.00 20.60 C ATOM 208 NH1 ARG A 26 -5.285 -0.565 -5.810 1.00 12.95 N ATOM 209 NH2 ARG A 26 -4.913 1.450 -6.836 1.00 13.99 N ATOM 210 HE ARG A 26 -3.372 0.163 -8.320 1.00 0.00 H ATOM 211 HH12 ARG A 26 -5.947 -0.103 -5.155 1.00 0.00 H ATOM 212 HH11 ARG A 26 -5.115 -1.589 -5.741 1.00 0.00 H ATOM 213 HH22 ARG A 26 -5.577 1.901 -6.175 1.00 0.00 H ATOM 214 HH21 ARG A 26 -4.451 2.017 -7.576 1.00 0.00 H ATOM 215 H ARG A 26 -2.414 -1.565 -12.579 1.00 0.00 H ATOM 216 N SER A 27 -5.720 -2.118 -12.084 1.00 7.94 N ATOM 217 CA SER A 27 -7.169 -2.157 -12.284 1.00 8.10 C ATOM 218 C SER A 27 -7.606 -3.286 -13.236 1.00 12.10 C ATOM 219 O SER A 27 -8.751 -3.736 -13.161 1.00 13.82 O ATOM 220 CB SER A 27 -7.701 -0.798 -12.718 1.00 10.78 C ATOM 221 OG SER A 27 -7.244 -0.403 -13.999 1.00 15.78 O ATOM 222 HG SER A 27 -6.255 -0.350 -13.994 1.00 0.00 H ATOM 223 H SER A 27 -5.192 -1.273 -12.381 1.00 0.00 H ATOM 224 N ARG A 28 -6.695 -3.771 -14.090 1.00 9.28 N ATOM 225 CA ARG A 28 -6.958 -4.867 -15.035 1.00 8.54 C ATOM 226 C ARG A 28 -6.384 -6.188 -14.550 1.00 12.85 C ATOM 227 O ARG A 28 -6.504 -7.206 -15.254 1.00 10.91 O ATOM 228 CB ARG A 28 -6.398 -4.511 -16.424 1.00 10.26 C ATOM 229 CG ARG A 28 -7.049 -3.265 -17.006 1.00 10.61 C ATOM 230 CD ARG A 28 -6.547 -2.901 -18.373 1.00 13.70 C ATOM 231 NE ARG A 28 -6.552 -4.017 -19.336 1.00 16.83 N ATOM 232 CZ ARG A 28 -5.912 -3.968 -20.504 1.00 26.81 C ATOM 233 NH1 ARG A 28 -5.221 -2.887 -20.843 1.00 17.62 N ATOM 234 NH2 ARG A 28 -5.951 -5.007 -21.338 1.00 15.11 N ATOM 235 HE ARG A 28 -7.078 -4.881 -19.093 1.00 0.00 H ATOM 236 HH12 ARG A 28 -4.723 -2.853 -21.755 1.00 0.00 H ATOM 237 HH11 ARG A 28 -5.177 -2.074 -20.196 1.00 0.00 H ATOM 238 HH22 ARG A 28 -5.449 -4.962 -22.248 1.00 0.00 H ATOM 239 HH21 ARG A 28 -6.483 -5.862 -21.079 1.00 0.00 H ATOM 240 H ARG A 28 -5.745 -3.347 -14.085 1.00 0.00 H ATOM 241 N ASP A 29 -5.797 -6.182 -13.321 1.00 10.31 N ATOM 242 CA ASP A 29 -5.171 -7.343 -12.674 1.00 10.31 C ATOM 243 C ASP A 29 -4.072 -7.937 -13.549 1.00 13.51 C ATOM 244 O ASP A 29 -3.829 -9.149 -13.529 1.00 14.27 O ATOM 245 CB ASP A 29 -6.215 -8.395 -12.233 1.00 12.19 C ATOM 246 CG ASP A 29 -5.660 -9.368 -11.214 1.00 18.49 C ATOM 247 OD1 ASP A 29 -5.000 -8.903 -10.231 1.00 15.01 O ATOM 248 OD2 ASP A 29 -5.846 -10.595 -11.409 1.00 27.73 O ATOM 249 H ASP A 29 -5.791 -5.283 -12.798 1.00 0.00 H ATOM 250 N ILE A 30 -3.352 -7.056 -14.276 1.00 8.97 N ATOM 251 CA ILE A 30 -2.292 -7.488 -15.151 1.00 8.53 C ATOM 252 C ILE A 30 -0.972 -7.470 -14.401 1.00 9.70 C ATOM 253 O ILE A 30 -0.553 -6.410 -13.952 1.00 8.72 O ATOM 254 CB ILE A 30 -2.220 -6.689 -16.481 1.00 11.64 C ATOM 255 CG1 ILE A 30 -3.539 -6.823 -17.329 1.00 11.83 C ATOM 256 CG2 ILE A 30 -0.975 -7.087 -17.258 1.00 10.90 C ATOM 257 CD1 ILE A 30 -3.652 -5.941 -18.537 1.00 19.18 C ATOM 258 H ILE A 30 -3.568 -6.041 -14.203 1.00 0.00 H ATOM 259 N LEU A 31 -0.335 -8.658 -14.310 1.00 9.09 N ATOM 260 CA LEU A 31 0.975 -8.938 -13.704 1.00 10.25 C ATOM 261 C LEU A 31 1.071 -8.598 -12.210 1.00 11.54 C ATOM 262 O LEU A 31 2.165 -8.487 -11.652 1.00 12.23 O ATOM 263 CB LEU A 31 2.110 -8.288 -14.507 1.00 11.52 C ATOM 264 CG LEU A 31 2.364 -8.900 -15.906 1.00 17.16 C ATOM 265 CD1 LEU A 31 3.290 -8.052 -16.688 1.00 18.45 C ATOM 266 CD2 LEU A 31 2.947 -10.299 -15.799 1.00 20.41 C ATOM 267 H LEU A 31 -0.832 -9.475 -14.719 1.00 0.00 H ATOM 268 N THR A 32 -0.078 -8.553 -11.531 1.00 9.97 N ATOM 269 CA THR A 32 -0.116 -8.382 -10.079 1.00 9.10 C ATOM 270 C THR A 32 0.443 -9.710 -9.558 1.00 13.62 C ATOM 271 O THR A 32 0.206 -10.777 -10.167 1.00 14.87 O ATOM 272 CB THR A 32 -1.535 -8.114 -9.626 1.00 11.54 C ATOM 273 OG1 THR A 32 -2.369 -9.123 -10.180 1.00 14.04 O ATOM 274 CG2 THR A 32 -2.027 -6.706 -10.030 1.00 8.53 C ATOM 275 HG1 THR A 32 -3.305 -8.968 -9.897 1.00 0.00 H ATOM 276 H THR A 32 -0.974 -8.642 -12.051 1.00 0.00 H ATOM 277 N ASP A 33 1.250 -9.645 -8.526 1.00 10.53 N ATOM 278 CA ASP A 33 1.923 -10.846 -8.071 1.00 10.20 C ATOM 279 C ASP A 33 1.787 -11.103 -6.603 1.00 11.60 C ATOM 280 O ASP A 33 2.449 -11.994 -6.093 1.00 11.19 O ATOM 281 CB ASP A 33 3.409 -10.809 -8.499 1.00 12.20 C ATOM 282 CG ASP A 33 4.147 -9.535 -8.122 1.00 22.12 C ATOM 283 OD1 ASP A 33 3.548 -8.683 -7.400 1.00 21.45 O ATOM 284 OD2 ASP A 33 5.337 -9.388 -8.537 1.00 21.63 O ATOM 285 H ASP A 33 1.406 -8.740 -8.038 1.00 0.00 H ATOM 286 N VAL A 34 0.900 -10.354 -5.919 1.00 7.51 N ATOM 287 CA VAL A 34 0.680 -10.537 -4.499 1.00 6.83 C ATOM 288 C VAL A 34 -0.752 -10.147 -4.158 1.00 11.28 C ATOM 289 O VAL A 34 -1.351 -9.279 -4.804 1.00 10.21 O ATOM 290 CB VAL A 34 1.742 -9.765 -3.649 1.00 10.39 C ATOM 291 CG1 VAL A 34 1.571 -8.250 -3.756 1.00 10.64 C ATOM 292 CG2 VAL A 34 1.757 -10.212 -2.184 1.00 10.25 C ATOM 293 H VAL A 34 0.358 -9.624 -6.425 1.00 0.00 H ATOM 294 N VAL A 35 -1.285 -10.797 -3.129 1.00 8.95 N ATOM 295 CA VAL A 35 -2.567 -10.430 -2.561 1.00 8.17 C ATOM 296 C VAL A 35 -2.301 -10.032 -1.090 1.00 11.62 C ATOM 297 O VAL A 35 -1.569 -10.728 -0.372 1.00 9.51 O ATOM 298 CB VAL A 35 -3.710 -11.460 -2.797 1.00 13.68 C ATOM 299 CG1 VAL A 35 -3.362 -12.833 -2.259 1.00 14.29 C ATOM 300 CG2 VAL A 35 -5.033 -10.969 -2.217 1.00 13.88 C ATOM 301 H VAL A 35 -0.764 -11.597 -2.717 1.00 0.00 H ATOM 302 N ILE A 36 -2.739 -8.829 -0.721 1.00 8.92 N ATOM 303 CA ILE A 36 -2.596 -8.304 0.631 1.00 8.57 C ATOM 304 C ILE A 36 -3.913 -8.533 1.357 1.00 12.46 C ATOM 305 O ILE A 36 -4.936 -7.998 0.951 1.00 9.37 O ATOM 306 CB ILE A 36 -2.140 -6.808 0.666 1.00 10.56 C ATOM 307 CG1 ILE A 36 -0.931 -6.530 -0.257 1.00 10.04 C ATOM 308 CG2 ILE A 36 -1.888 -6.350 2.082 1.00 11.49 C ATOM 309 CD1 ILE A 36 0.376 -7.333 0.064 1.00 12.46 C ATOM 310 H ILE A 36 -3.207 -8.234 -1.434 1.00 0.00 H ATOM 311 N VAL A 37 -3.879 -9.391 2.395 1.00 10.98 N ATOM 312 CA VAL A 37 -5.060 -9.775 3.167 1.00 10.54 C ATOM 313 C VAL A 37 -5.169 -8.856 4.380 1.00 14.29 C ATOM 314 O VAL A 37 -4.237 -8.782 5.195 1.00 12.65 O ATOM 315 CB VAL A 37 -5.038 -11.277 3.568 1.00 13.34 C ATOM 316 CG1 VAL A 37 -6.289 -11.641 4.375 1.00 14.05 C ATOM 317 CG2 VAL A 37 -4.932 -12.174 2.336 1.00 12.37 C ATOM 318 H VAL A 37 -2.962 -9.803 2.662 1.00 0.00 H ATOM 319 N VAL A 38 -6.287 -8.104 4.455 1.00 12.32 N ATOM 320 CA VAL A 38 -6.543 -7.139 5.530 1.00 11.34 C ATOM 321 C VAL A 38 -7.888 -7.470 6.159 1.00 15.50 C ATOM 322 O VAL A 38 -8.929 -6.974 5.724 1.00 13.22 O ATOM 323 CB VAL A 38 -6.469 -5.663 5.059 1.00 14.42 C ATOM 324 CG1 VAL A 38 -6.419 -4.714 6.252 1.00 14.18 C ATOM 325 CG2 VAL A 38 -5.290 -5.421 4.120 1.00 14.09 C ATOM 326 H VAL A 38 -7.005 -8.214 3.711 1.00 0.00 H ATOM 327 N SER A 39 -7.857 -8.374 7.149 1.00 12.26 N ATOM 328 CA SER A 39 -9.043 -8.875 7.821 1.00 13.10 C ATOM 329 C SER A 39 -9.988 -9.574 6.820 1.00 18.01 C ATOM 330 O SER A 39 -9.548 -10.499 6.142 1.00 19.92 O ATOM 331 CB SER A 39 -9.706 -7.788 8.661 1.00 17.20 C ATOM 332 OG SER A 39 -8.848 -7.455 9.741 1.00 25.82 O ATOM 333 HG SER A 39 -7.985 -7.125 9.386 1.00 0.00 H ATOM 334 H SER A 39 -6.931 -8.737 7.453 1.00 0.00 H ATOM 335 N ARG A 40 -11.243 -9.119 6.661 1.00 15.15 N ATOM 336 CA ARG A 40 -12.141 -9.816 5.736 1.00 15.30 C ATOM 337 C ARG A 40 -11.949 -9.420 4.274 1.00 19.22 C ATOM 338 O ARG A 40 -12.543 -10.041 3.383 1.00 19.82 O ATOM 339 CB ARG A 40 -13.597 -9.644 6.187 1.00 13.80 C ATOM 340 CG ARG A 40 -13.875 -10.295 7.527 1.00 18.78 C ATOM 341 CD ARG A 40 -15.230 -9.873 8.067 1.00 37.65 C ATOM 342 NE ARG A 40 -15.161 -8.589 8.772 1.00 59.54 N ATOM 343 CZ ARG A 40 -14.922 -8.452 10.073 1.00 81.21 C ATOM 344 NH1 ARG A 40 -14.721 -9.522 10.835 1.00 74.31 N ATOM 345 NH2 ARG A 40 -14.882 -7.246 10.624 1.00 68.55 N ATOM 346 HE ARG A 40 -15.310 -7.724 8.215 1.00 0.00 H ATOM 347 HH12 ARG A 40 -14.535 -9.409 11.852 1.00 0.00 H ATOM 348 HH11 ARG A 40 -14.750 -10.473 10.415 1.00 0.00 H ATOM 349 HH22 ARG A 40 -14.695 -7.145 11.642 1.00 0.00 H ATOM 350 HH21 ARG A 40 -15.038 -6.401 10.038 1.00 0.00 H ATOM 351 H ARG A 40 -11.572 -8.284 7.187 1.00 0.00 H ATOM 352 N GLU A 41 -11.073 -8.436 4.022 1.00 15.17 N ATOM 353 CA GLU A 41 -10.855 -7.914 2.682 1.00 14.61 C ATOM 354 C GLU A 41 -9.490 -8.297 2.103 1.00 16.69 C ATOM 355 O GLU A 41 -8.562 -8.579 2.847 1.00 17.01 O ATOM 356 CB GLU A 41 -11.045 -6.399 2.696 1.00 16.37 C ATOM 357 CG GLU A 41 -12.472 -5.981 3.020 1.00 24.94 C ATOM 358 CD GLU A 41 -12.783 -4.525 2.732 1.00 38.65 C ATOM 359 OE1 GLU A 41 -12.530 -4.073 1.592 1.00 30.24 O ATOM 360 OE2 GLU A 41 -13.306 -3.841 3.639 1.00 36.64 O ATOM 361 H GLU A 41 -10.531 -8.032 4.812 1.00 0.00 H ATOM 362 N GLN A 42 -9.379 -8.311 0.771 1.00 12.65 N ATOM 363 CA GLN A 42 -8.128 -8.660 0.089 1.00 12.81 C ATOM 364 C GLN A 42 -7.882 -7.685 -1.045 1.00 16.37 C ATOM 365 O GLN A 42 -8.842 -7.239 -1.664 1.00 16.62 O ATOM 366 CB GLN A 42 -8.204 -10.096 -0.452 1.00 14.54 C ATOM 367 CG GLN A 42 -8.239 -11.175 0.633 1.00 35.42 C ATOM 368 CD GLN A 42 -8.370 -12.560 0.052 1.00 44.19 C ATOM 369 OE1 GLN A 42 -8.073 -12.804 -1.121 1.00 32.27 O ATOM 370 NE2 GLN A 42 -8.835 -13.497 0.865 1.00 47.58 N ATOM 371 HE22 GLN A 42 -9.076 -13.259 1.848 1.00 0.00 H ATOM 372 HE21 GLN A 42 -8.959 -14.470 0.520 1.00 0.00 H ATOM 373 H GLN A 42 -10.211 -8.065 0.197 1.00 0.00 H ATOM 374 N PHE A 43 -6.613 -7.314 -1.293 1.00 9.45 N ATOM 375 CA PHE A 43 -6.247 -6.366 -2.348 1.00 9.77 C ATOM 376 C PHE A 43 -5.038 -6.885 -3.152 1.00 13.31 C ATOM 377 O PHE A 43 -3.987 -7.165 -2.560 1.00 14.63 O ATOM 378 CB PHE A 43 -5.896 -5.004 -1.705 1.00 11.31 C ATOM 379 CG PHE A 43 -6.953 -4.421 -0.793 1.00 11.95 C ATOM 380 CD1 PHE A 43 -7.935 -3.571 -1.290 1.00 14.85 C ATOM 381 CD2 PHE A 43 -6.953 -4.702 0.573 1.00 13.53 C ATOM 382 CE1 PHE A 43 -8.916 -3.043 -0.441 1.00 15.49 C ATOM 383 CE2 PHE A 43 -7.917 -4.150 1.424 1.00 16.27 C ATOM 384 CZ PHE A 43 -8.888 -3.319 0.912 1.00 14.43 C ATOM 385 H PHE A 43 -5.855 -7.720 -0.708 1.00 0.00 H ATOM 386 N ARG A 44 -5.171 -6.963 -4.484 1.00 10.05 N ATOM 387 CA ARG A 44 -4.079 -7.408 -5.370 1.00 10.01 C ATOM 388 C ARG A 44 -3.183 -6.214 -5.702 1.00 13.48 C ATOM 389 O ARG A 44 -3.637 -5.066 -5.734 1.00 14.32 O ATOM 390 CB ARG A 44 -4.614 -8.089 -6.638 1.00 8.30 C ATOM 391 CG ARG A 44 -5.401 -9.371 -6.267 1.00 16.50 C ATOM 392 CD ARG A 44 -5.456 -10.452 -7.324 1.00 21.77 C ATOM 393 NE ARG A 44 -4.177 -10.638 -8.005 1.00 12.58 N ATOM 394 CZ ARG A 44 -3.234 -11.515 -7.664 1.00 19.26 C ATOM 395 NH1 ARG A 44 -3.440 -12.374 -6.673 1.00 18.75 N ATOM 396 NH2 ARG A 44 -2.097 -11.569 -8.342 1.00 20.84 N ATOM 397 HE ARG A 44 -3.986 -10.032 -8.829 1.00 0.00 H ATOM 398 HH12 ARG A 44 -2.699 -13.055 -6.413 1.00 0.00 H ATOM 399 HH11 ARG A 44 -4.343 -12.365 -6.157 1.00 0.00 H ATOM 400 HH22 ARG A 44 -1.363 -12.255 -8.073 1.00 0.00 H ATOM 401 HH21 ARG A 44 -1.938 -10.925 -9.143 1.00 0.00 H ATOM 402 H ARG A 44 -6.082 -6.699 -4.910 1.00 0.00 H ATOM 403 N ALA A 45 -1.895 -6.479 -5.913 1.00 10.18 N ATOM 404 CA ALA A 45 -0.945 -5.408 -6.190 1.00 9.38 C ATOM 405 C ALA A 45 0.333 -5.960 -6.813 1.00 12.08 C ATOM 406 O ALA A 45 0.491 -7.185 -6.952 1.00 9.27 O ATOM 407 CB ALA A 45 -0.613 -4.682 -4.881 1.00 10.14 C ATOM 408 H ALA A 45 -1.562 -7.464 -5.880 1.00 0.00 H ATOM 409 N HIS A 46 1.210 -5.038 -7.248 1.00 8.34 N ATOM 410 CA HIS A 46 2.525 -5.318 -7.781 1.00 6.82 C ATOM 411 C HIS A 46 3.496 -5.137 -6.611 1.00 9.00 C ATOM 412 O HIS A 46 3.551 -4.060 -5.989 1.00 8.61 O ATOM 413 CB HIS A 46 2.889 -4.364 -8.935 1.00 6.94 C ATOM 414 CG HIS A 46 1.918 -4.371 -10.078 1.00 9.11 C ATOM 415 ND1 HIS A 46 0.947 -3.388 -10.208 1.00 10.89 N ATOM 416 CD2 HIS A 46 1.793 -5.243 -11.107 1.00 10.39 C ATOM 417 CE1 HIS A 46 0.289 -3.673 -11.323 1.00 10.74 C ATOM 418 NE2 HIS A 46 0.731 -4.800 -11.876 1.00 10.66 N ATOM 419 H HIS A 46 0.918 -4.041 -7.197 1.00 0.00 H ATOM 420 N LYS A 47 4.254 -6.181 -6.307 1.00 6.56 N ATOM 421 CA LYS A 47 5.226 -6.140 -5.202 1.00 5.08 C ATOM 422 C LYS A 47 6.207 -4.962 -5.380 1.00 7.15 C ATOM 423 O LYS A 47 6.512 -4.289 -4.407 1.00 6.83 O ATOM 424 CB LYS A 47 6.014 -7.460 -5.121 1.00 7.88 C ATOM 425 CG LYS A 47 5.201 -8.654 -4.622 1.00 12.55 C ATOM 426 CD LYS A 47 6.125 -9.872 -4.429 1.00 16.33 C ATOM 427 CE LYS A 47 5.580 -11.110 -5.085 1.00 23.10 C ATOM 428 NZ LYS A 47 6.429 -12.309 -4.768 1.00 17.56 N ATOM 429 HZ1 LYS A 47 7.397 -12.148 -5.113 1.00 0.00 H ATOM 430 HZ2 LYS A 47 6.447 -12.458 -3.739 1.00 0.00 H ATOM 431 HZ3 LYS A 47 6.029 -13.148 -5.234 1.00 0.00 H ATOM 432 H LYS A 47 4.159 -7.054 -6.865 1.00 0.00 H ATOM 433 N THR A 48 6.665 -4.706 -6.636 1.00 5.36 N ATOM 434 CA THR A 48 7.615 -3.619 -6.926 1.00 4.87 C ATOM 435 C THR A 48 7.064 -2.294 -6.460 1.00 7.69 C ATOM 436 O THR A 48 7.776 -1.536 -5.808 1.00 7.94 O ATOM 437 CB THR A 48 8.028 -3.586 -8.408 1.00 9.14 C ATOM 438 OG1 THR A 48 6.859 -3.554 -9.258 1.00 10.30 O ATOM 439 CG2 THR A 48 8.917 -4.779 -8.785 1.00 8.40 C ATOM 440 HG1 THR A 48 7.142 -3.533 -10.206 1.00 0.00 H ATOM 441 H THR A 48 6.331 -5.301 -7.421 1.00 0.00 H ATOM 442 N VAL A 49 5.789 -2.015 -6.774 1.00 4.92 N ATOM 443 CA VAL A 49 5.152 -0.772 -6.340 1.00 4.78 C ATOM 444 C VAL A 49 5.017 -0.709 -4.807 1.00 8.42 C ATOM 445 O VAL A 49 5.339 0.316 -4.207 1.00 8.90 O ATOM 446 CB VAL A 49 3.824 -0.520 -7.083 1.00 9.15 C ATOM 447 CG1 VAL A 49 3.140 0.745 -6.571 1.00 9.64 C ATOM 448 CG2 VAL A 49 4.069 -0.439 -8.586 1.00 8.91 C ATOM 449 H VAL A 49 5.243 -2.697 -7.338 1.00 0.00 H ATOM 450 N LEU A 50 4.631 -1.802 -4.180 1.00 6.21 N ATOM 451 CA LEU A 50 4.540 -1.840 -2.717 1.00 6.12 C ATOM 452 C LEU A 50 5.915 -1.519 -2.078 1.00 8.29 C ATOM 453 O LEU A 50 5.981 -0.728 -1.143 1.00 7.62 O ATOM 454 CB LEU A 50 4.104 -3.228 -2.278 1.00 6.85 C ATOM 455 CG LEU A 50 2.696 -3.682 -2.642 1.00 10.43 C ATOM 456 CD1 LEU A 50 2.445 -5.051 -2.065 1.00 10.74 C ATOM 457 CD2 LEU A 50 1.651 -2.706 -2.137 1.00 9.62 C ATOM 458 H LEU A 50 4.387 -2.650 -4.731 1.00 0.00 H ATOM 459 N MET A 51 6.986 -2.155 -2.607 1.00 6.70 N ATOM 460 CA MET A 51 8.359 -1.959 -2.127 1.00 7.19 C ATOM 461 C MET A 51 8.779 -0.507 -2.347 1.00 11.83 C ATOM 462 O MET A 51 9.420 0.080 -1.478 1.00 10.70 O ATOM 463 CB MET A 51 9.339 -2.896 -2.821 1.00 9.52 C ATOM 464 CG MET A 51 9.182 -4.340 -2.483 1.00 12.22 C ATOM 465 SD MET A 51 10.294 -5.316 -3.551 1.00 16.43 S ATOM 466 CE MET A 51 11.737 -5.222 -2.702 1.00 12.59 C ATOM 467 H MET A 51 6.828 -2.816 -3.394 1.00 0.00 H ATOM 468 N ALA A 52 8.430 0.071 -3.517 1.00 9.71 N ATOM 469 CA ALA A 52 8.793 1.445 -3.855 1.00 8.65 C ATOM 470 C ALA A 52 8.144 2.490 -2.921 1.00 14.09 C ATOM 471 O ALA A 52 8.639 3.620 -2.841 1.00 14.35 O ATOM 472 CB ALA A 52 8.425 1.737 -5.299 1.00 9.10 C ATOM 473 H ALA A 52 7.881 -0.484 -4.204 1.00 0.00 H ATOM 474 N CYS A 53 7.058 2.115 -2.218 1.00 10.41 N ATOM 475 CA CYS A 53 6.283 3.065 -1.402 1.00 10.05 C ATOM 476 C CYS A 53 6.304 2.849 0.084 1.00 14.06 C ATOM 477 O CYS A 53 5.996 3.788 0.824 1.00 14.67 O ATOM 478 CB CYS A 53 4.841 3.083 -1.889 1.00 9.73 C ATOM 479 SG CYS A 53 4.662 3.528 -3.629 1.00 12.81 S ATOM 480 H CYS A 53 6.756 1.120 -2.253 1.00 0.00 H ATOM 481 N SER A 54 6.627 1.626 0.525 1.00 9.90 N ATOM 482 CA SER A 54 6.510 1.198 1.909 1.00 8.13 C ATOM 483 C SER A 54 7.767 0.542 2.486 1.00 12.17 C ATOM 484 O SER A 54 8.236 -0.453 1.949 1.00 11.05 O ATOM 485 CB SER A 54 5.332 0.220 1.981 1.00 8.70 C ATOM 486 OG SER A 54 5.198 -0.515 3.192 1.00 8.88 O ATOM 487 HG SER A 54 5.078 0.114 3.947 1.00 0.00 H ATOM 488 H SER A 54 6.985 0.938 -0.168 1.00 0.00 H ATOM 489 N GLY A 55 8.202 1.032 3.656 1.00 9.94 N ATOM 490 CA GLY A 55 9.327 0.438 4.383 1.00 10.20 C ATOM 491 C GLY A 55 9.031 -0.984 4.816 1.00 13.42 C ATOM 492 O GLY A 55 9.907 -1.847 4.739 1.00 13.58 O ATOM 493 H GLY A 55 7.724 1.862 4.061 1.00 0.00 H ATOM 494 N LEU A 56 7.749 -1.259 5.156 1.00 8.68 N ATOM 495 CA LEU A 56 7.285 -2.590 5.544 1.00 9.52 C ATOM 496 C LEU A 56 7.465 -3.574 4.397 1.00 13.50 C ATOM 497 O LEU A 56 8.172 -4.582 4.544 1.00 13.60 O ATOM 498 CB LEU A 56 5.798 -2.566 5.999 1.00 10.10 C ATOM 499 CG LEU A 56 5.243 -3.930 6.472 1.00 15.32 C ATOM 500 CD1 LEU A 56 5.825 -4.334 7.832 1.00 17.12 C ATOM 501 CD2 LEU A 56 3.725 -3.909 6.576 1.00 19.76 C ATOM 502 H LEU A 56 7.058 -0.482 5.140 1.00 0.00 H ATOM 503 N PHE A 57 6.882 -3.252 3.231 1.00 10.24 N ATOM 504 CA PHE A 57 6.967 -4.135 2.078 1.00 8.92 C ATOM 505 C PHE A 57 8.374 -4.225 1.522 1.00 12.09 C ATOM 506 O PHE A 57 8.787 -5.319 1.154 1.00 10.19 O ATOM 507 CB PHE A 57 5.940 -3.796 1.005 1.00 9.68 C ATOM 508 CG PHE A 57 4.524 -4.002 1.486 1.00 9.77 C ATOM 509 CD1 PHE A 57 4.067 -5.267 1.837 1.00 12.10 C ATOM 510 CD2 PHE A 57 3.627 -2.941 1.533 1.00 10.63 C ATOM 511 CE1 PHE A 57 2.732 -5.466 2.232 1.00 11.20 C ATOM 512 CE2 PHE A 57 2.304 -3.139 1.938 1.00 11.90 C ATOM 513 CZ PHE A 57 1.865 -4.404 2.276 1.00 10.34 C ATOM 514 H PHE A 57 6.361 -2.356 3.151 1.00 0.00 H ATOM 515 N TYR A 58 9.143 -3.114 1.570 1.00 9.88 N ATOM 516 CA TYR A 58 10.546 -3.136 1.134 1.00 9.20 C ATOM 517 C TYR A 58 11.317 -4.135 2.023 1.00 12.89 C ATOM 518 O TYR A 58 12.084 -4.938 1.495 1.00 12.59 O ATOM 519 CB TYR A 58 11.157 -1.733 1.224 1.00 9.43 C ATOM 520 CG TYR A 58 12.649 -1.683 1.036 1.00 10.31 C ATOM 521 CD1 TYR A 58 13.209 -1.638 -0.236 1.00 12.17 C ATOM 522 CD2 TYR A 58 13.507 -1.640 2.134 1.00 11.31 C ATOM 523 CE1 TYR A 58 14.590 -1.546 -0.412 1.00 13.36 C ATOM 524 CE2 TYR A 58 14.887 -1.557 1.969 1.00 12.83 C ATOM 525 CZ TYR A 58 15.422 -1.509 0.693 1.00 19.61 C ATOM 526 OH TYR A 58 16.784 -1.431 0.533 1.00 25.31 O ATOM 527 HH TYR A 58 17.001 -1.405 -0.433 1.00 0.00 H ATOM 528 H TYR A 58 8.733 -2.226 1.923 1.00 0.00 H ATOM 529 N SER A 59 11.116 -4.073 3.378 1.00 11.30 N ATOM 530 CA SER A 59 11.823 -4.956 4.320 1.00 11.96 C ATOM 531 C SER A 59 11.436 -6.405 4.182 1.00 15.84 C ATOM 532 O SER A 59 12.251 -7.272 4.495 1.00 15.48 O ATOM 533 CB SER A 59 11.607 -4.497 5.748 1.00 15.37 C ATOM 534 OG SER A 59 12.375 -3.332 5.990 1.00 21.75 O ATOM 535 HG SER A 59 12.093 -2.617 5.366 1.00 0.00 H ATOM 536 H SER A 59 10.440 -3.377 3.753 1.00 0.00 H ATOM 537 N ILE A 60 10.192 -6.682 3.752 1.00 11.36 N ATOM 538 CA ILE A 60 9.736 -8.062 3.563 1.00 12.27 C ATOM 539 C ILE A 60 10.371 -8.623 2.287 1.00 16.19 C ATOM 540 O ILE A 60 11.117 -9.596 2.364 1.00 16.75 O ATOM 541 CB ILE A 60 8.163 -8.152 3.515 1.00 16.05 C ATOM 542 CG1 ILE A 60 7.532 -7.887 4.915 1.00 16.48 C ATOM 543 CG2 ILE A 60 7.672 -9.499 2.902 1.00 16.24 C ATOM 544 CD1 ILE A 60 5.922 -7.597 4.956 1.00 18.60 C ATOM 545 H ILE A 60 9.539 -5.899 3.549 1.00 0.00 H ATOM 546 N PHE A 61 10.092 -8.013 1.122 1.00 13.57 N ATOM 547 CA PHE A 61 10.508 -8.552 -0.184 1.00 12.68 C ATOM 548 C PHE A 61 12.014 -8.380 -0.553 1.00 16.93 C ATOM 549 O PHE A 61 12.448 -9.056 -1.480 1.00 17.82 O ATOM 550 CB PHE A 61 9.592 -8.050 -1.323 1.00 13.92 C ATOM 551 CG PHE A 61 8.109 -8.295 -1.095 1.00 15.95 C ATOM 552 CD1 PHE A 61 7.610 -9.590 -0.955 1.00 19.83 C ATOM 553 CD2 PHE A 61 7.214 -7.232 -1.012 1.00 16.10 C ATOM 554 CE1 PHE A 61 6.245 -9.816 -0.750 1.00 19.27 C ATOM 555 CE2 PHE A 61 5.851 -7.458 -0.790 1.00 18.16 C ATOM 556 CZ PHE A 61 5.376 -8.747 -0.657 1.00 17.60 C ATOM 557 H PHE A 61 9.559 -7.121 1.144 1.00 0.00 H ATOM 558 N THR A 62 12.815 -7.543 0.153 1.00 14.11 N ATOM 559 CA THR A 62 14.258 -7.499 -0.158 1.00 14.79 C ATOM 560 C THR A 62 14.953 -8.733 0.407 1.00 20.66 C ATOM 561 O THR A 62 16.080 -9.042 0.004 1.00 22.65 O ATOM 562 CB THR A 62 14.977 -6.227 0.304 1.00 21.09 C ATOM 563 OG1 THR A 62 14.630 -5.918 1.652 1.00 17.09 O ATOM 564 CG2 THR A 62 14.761 -5.059 -0.625 1.00 18.58 C ATOM 565 HG1 THR A 62 13.652 -5.776 1.716 1.00 0.00 H ATOM 566 H THR A 62 12.418 -6.941 0.903 1.00 0.00 H ATOM 567 N ASP A 63 14.291 -9.417 1.366 1.00 14.95 N ATOM 568 CA ASP A 63 14.796 -10.640 1.983 1.00 13.82 C ATOM 569 C ASP A 63 14.539 -11.812 1.008 1.00 18.05 C ATOM 570 O ASP A 63 13.389 -12.055 0.641 1.00 15.42 O ATOM 571 CB ASP A 63 14.078 -10.854 3.331 1.00 14.50 C ATOM 572 CG ASP A 63 14.607 -11.972 4.224 1.00 23.58 C ATOM 573 OD1 ASP A 63 15.364 -12.845 3.715 1.00 23.09 O ATOM 574 OD2 ASP A 63 14.285 -11.962 5.432 1.00 25.84 O ATOM 575 H ASP A 63 13.370 -9.052 1.682 1.00 0.00 H ATOM 576 N GLN A 64 15.614 -12.536 0.586 1.00 17.69 N ATOM 577 CA GLN A 64 15.504 -13.683 -0.333 1.00 18.12 C ATOM 578 C GLN A 64 14.531 -14.738 0.218 1.00 21.31 C ATOM 579 O GLN A 64 13.767 -15.331 -0.538 1.00 22.71 O ATOM 580 CB GLN A 64 16.889 -14.297 -0.627 1.00 19.30 C ATOM 581 CG GLN A 64 16.868 -15.639 -1.394 1.00 24.95 C ATOM 582 CD GLN A 64 16.533 -15.482 -2.861 1.00 40.30 C ATOM 583 OE1 GLN A 64 16.632 -14.389 -3.438 1.00 29.25 O ATOM 584 NE2 GLN A 64 16.143 -16.581 -3.502 1.00 27.69 N ATOM 585 HE22 GLN A 64 16.070 -17.483 -2.990 1.00 0.00 H ATOM 586 HE21 GLN A 64 15.911 -16.538 -4.515 1.00 0.00 H ATOM 587 H GLN A 64 16.558 -12.266 0.929 1.00 0.00 H ATOM 588 N LEU A 65 14.497 -14.882 1.535 1.00 16.86 N ATOM 589 CA LEU A 65 13.601 -15.782 2.275 1.00 15.87 C ATOM 590 C LEU A 65 12.122 -15.477 1.973 1.00 17.56 C ATOM 591 O LEU A 65 11.313 -16.400 1.858 1.00 16.35 O ATOM 592 CB LEU A 65 13.853 -15.611 3.786 1.00 16.11 C ATOM 593 CG LEU A 65 13.060 -16.505 4.762 1.00 21.68 C ATOM 594 CD1 LEU A 65 13.921 -17.643 5.269 1.00 21.65 C ATOM 595 CD2 LEU A 65 12.529 -15.713 5.958 1.00 23.47 C ATOM 596 H LEU A 65 15.162 -14.309 2.093 1.00 0.00 H ATOM 597 N LYS A 66 11.786 -14.189 1.785 1.00 11.92 N ATOM 598 CA LYS A 66 10.406 -13.746 1.617 1.00 11.26 C ATOM 599 C LYS A 66 10.013 -13.236 0.206 1.00 15.05 C ATOM 600 O LYS A 66 8.822 -13.046 -0.075 1.00 12.40 O ATOM 601 CB LYS A 66 10.111 -12.672 2.667 1.00 14.43 C ATOM 602 CG LYS A 66 10.357 -13.114 4.107 1.00 18.25 C ATOM 603 CD LYS A 66 9.840 -12.101 5.144 1.00 25.96 C ATOM 604 CE LYS A 66 9.706 -12.764 6.502 1.00 37.27 C ATOM 605 NZ LYS A 66 8.944 -11.930 7.465 1.00 39.27 N ATOM 606 HZ1 LYS A 66 9.432 -11.021 7.597 1.00 0.00 H ATOM 607 HZ2 LYS A 66 7.988 -11.760 7.094 1.00 0.00 H ATOM 608 HZ3 LYS A 66 8.880 -12.426 8.377 1.00 0.00 H ATOM 609 H LYS A 66 12.543 -13.477 1.758 1.00 0.00 H ATOM 610 N ARG A 67 11.016 -13.014 -0.660 1.00 14.53 N ATOM 611 CA ARG A 67 10.898 -12.503 -2.024 1.00 15.46 C ATOM 612 C ARG A 67 9.699 -13.096 -2.796 1.00 17.20 C ATOM 613 O ARG A 67 8.959 -12.345 -3.414 1.00 18.06 O ATOM 614 CB ARG A 67 12.237 -12.785 -2.761 1.00 17.27 C ATOM 615 CG ARG A 67 12.363 -12.304 -4.214 1.00 25.04 C ATOM 616 CD ARG A 67 12.770 -10.844 -4.379 1.00 27.11 C ATOM 617 NE ARG A 67 13.835 -10.410 -3.469 1.00 13.14 N ATOM 618 CZ ARG A 67 15.138 -10.405 -3.747 1.00 21.12 C ATOM 619 NH1 ARG A 67 15.577 -10.821 -4.934 1.00 20.85 N ATOM 620 NH2 ARG A 67 16.011 -9.981 -2.846 1.00 10.55 N ATOM 621 HE ARG A 67 13.549 -10.078 -2.526 1.00 0.00 H ATOM 622 HH12 ARG A 67 16.596 -10.814 -5.143 1.00 0.00 H ATOM 623 HH11 ARG A 67 14.901 -11.153 -5.651 1.00 0.00 H ATOM 624 HH22 ARG A 67 17.027 -9.979 -3.067 1.00 0.00 H ATOM 625 HH21 ARG A 67 15.680 -9.650 -1.917 1.00 0.00 H ATOM 626 H ARG A 67 11.977 -13.228 -0.325 1.00 0.00 H ATOM 627 N ASN A 68 9.505 -14.425 -2.738 1.00 11.92 N ATOM 628 CA ASN A 68 8.498 -15.149 -3.533 1.00 12.16 C ATOM 629 C ASN A 68 7.118 -15.343 -2.877 1.00 18.58 C ATOM 630 O ASN A 68 6.263 -16.032 -3.452 1.00 18.76 O ATOM 631 CB ASN A 68 9.089 -16.495 -3.958 1.00 12.95 C ATOM 632 CG ASN A 68 10.209 -16.312 -4.948 1.00 38.33 C ATOM 633 OD1 ASN A 68 11.341 -16.747 -4.731 1.00 42.57 O ATOM 634 ND2 ASN A 68 9.949 -15.549 -6.002 1.00 25.25 N ATOM 635 HD22 ASN A 68 8.984 -15.195 -6.162 1.00 0.00 H ATOM 636 HD21 ASN A 68 10.710 -15.305 -6.668 1.00 0.00 H ATOM 637 H ASN A 68 10.104 -14.977 -2.091 1.00 0.00 H ATOM 638 N LEU A 69 6.848 -14.666 -1.745 1.00 14.40 N ATOM 639 CA LEU A 69 5.545 -14.791 -1.091 1.00 14.29 C ATOM 640 C LEU A 69 4.459 -14.209 -2.006 1.00 17.98 C ATOM 641 O LEU A 69 4.661 -13.145 -2.591 1.00 17.68 O ATOM 642 CB LEU A 69 5.525 -14.089 0.278 1.00 14.81 C ATOM 643 CG LEU A 69 6.304 -14.780 1.399 1.00 19.33 C ATOM 644 CD1 LEU A 69 6.591 -13.827 2.533 1.00 19.41 C ATOM 645 CD2 LEU A 69 5.585 -16.051 1.876 1.00 23.17 C ATOM 646 H LEU A 69 7.574 -14.047 -1.331 1.00 0.00 H ATOM 647 N SER A 70 3.356 -14.945 -2.168 1.00 13.30 N ATOM 648 CA SER A 70 2.236 -14.536 -3.028 1.00 13.40 C ATOM 649 C SER A 70 1.065 -13.963 -2.214 1.00 15.08 C ATOM 650 O SER A 70 0.134 -13.395 -2.798 1.00 12.95 O ATOM 651 CB SER A 70 1.775 -15.717 -3.871 1.00 18.66 C ATOM 652 OG SER A 70 1.415 -16.816 -3.050 1.00 28.89 O ATOM 653 HG SER A 70 1.119 -17.569 -3.620 1.00 0.00 H ATOM 654 H SER A 70 3.286 -15.851 -1.662 1.00 0.00 H ATOM 655 N VAL A 71 1.119 -14.118 -0.870 1.00 11.09 N ATOM 656 CA VAL A 71 0.091 -13.661 0.084 1.00 12.49 C ATOM 657 C VAL A 71 0.776 -13.045 1.308 1.00 15.52 C ATOM 658 O VAL A 71 1.655 -13.673 1.888 1.00 15.18 O ATOM 659 CB VAL A 71 -0.872 -14.817 0.526 1.00 18.20 C ATOM 660 CG1 VAL A 71 -1.829 -14.376 1.643 1.00 18.23 C ATOM 661 CG2 VAL A 71 -1.660 -15.390 -0.650 1.00 17.99 C ATOM 662 H VAL A 71 1.954 -14.599 -0.478 1.00 0.00 H ATOM 663 N ILE A 72 0.397 -11.803 1.666 1.00 10.53 N ATOM 664 CA ILE A 72 0.856 -11.107 2.865 1.00 10.98 C ATOM 665 C ILE A 72 -0.369 -10.826 3.711 1.00 16.56 C ATOM 666 O ILE A 72 -1.301 -10.148 3.249 1.00 15.05 O ATOM 667 CB ILE A 72 1.684 -9.816 2.586 1.00 14.18 C ATOM 668 CG1 ILE A 72 2.907 -10.089 1.659 1.00 15.27 C ATOM 669 CG2 ILE A 72 2.097 -9.093 3.895 1.00 15.63 C ATOM 670 CD1 ILE A 72 3.954 -11.109 2.156 1.00 20.15 C ATOM 671 H ILE A 72 -0.270 -11.304 1.044 1.00 0.00 H ATOM 672 N ASN A 73 -0.386 -11.371 4.939 1.00 14.11 N ATOM 673 CA ASN A 73 -1.475 -11.149 5.890 1.00 14.08 C ATOM 674 C ASN A 73 -1.054 -10.007 6.799 1.00 17.02 C ATOM 675 O ASN A 73 -0.045 -10.128 7.496 1.00 16.38 O ATOM 676 CB ASN A 73 -1.738 -12.412 6.709 1.00 15.54 C ATOM 677 CG ASN A 73 -2.315 -13.526 5.890 1.00 28.02 C ATOM 678 OD1 ASN A 73 -3.453 -13.446 5.438 1.00 23.85 O ATOM 679 ND2 ASN A 73 -1.541 -14.575 5.651 1.00 24.50 N ATOM 680 HD22 ASN A 73 -0.581 -14.614 6.048 1.00 0.00 H ATOM 681 HD21 ASN A 73 -1.894 -15.359 5.066 1.00 0.00 H ATOM 682 H ASN A 73 0.409 -11.977 5.226 1.00 0.00 H ATOM 683 N LEU A 74 -1.768 -8.860 6.735 1.00 11.59 N ATOM 684 CA LEU A 74 -1.390 -7.745 7.595 1.00 11.63 C ATOM 685 C LEU A 74 -1.873 -7.950 9.024 1.00 16.75 C ATOM 686 O LEU A 74 -2.751 -8.771 9.277 1.00 15.44 O ATOM 687 CB LEU A 74 -1.917 -6.392 7.091 1.00 11.53 C ATOM 688 CG LEU A 74 -1.570 -5.998 5.688 1.00 14.67 C ATOM 689 CD1 LEU A 74 -2.046 -4.593 5.406 1.00 15.19 C ATOM 690 CD2 LEU A 74 -0.067 -6.148 5.416 1.00 14.25 C ATOM 691 H LEU A 74 -2.574 -8.775 6.083 1.00 0.00 H ATOM 692 N ASP A 75 -1.308 -7.178 9.942 1.00 14.89 N ATOM 693 CA ASP A 75 -1.685 -7.141 11.358 1.00 15.34 C ATOM 694 C ASP A 75 -3.234 -7.062 11.479 1.00 20.03 C ATOM 695 O ASP A 75 -3.847 -6.246 10.761 1.00 17.88 O ATOM 696 CB ASP A 75 -0.997 -5.910 12.000 1.00 17.00 C ATOM 697 CG ASP A 75 -1.404 -5.489 13.413 1.00 29.10 C ATOM 698 OD1 ASP A 75 -2.321 -6.115 13.990 1.00 30.19 O ATOM 699 OD2 ASP A 75 -0.860 -4.487 13.906 1.00 36.18 O ATOM 700 H ASP A 75 -0.538 -6.550 9.634 1.00 0.00 H ATOM 701 N PRO A 76 -3.876 -7.942 12.312 1.00 18.80 N ATOM 702 CA PRO A 76 -5.357 -7.935 12.428 1.00 19.12 C ATOM 703 C PRO A 76 -6.006 -6.591 12.775 1.00 22.91 C ATOM 704 O PRO A 76 -7.174 -6.363 12.435 1.00 23.11 O ATOM 705 CB PRO A 76 -5.640 -8.976 13.517 1.00 21.39 C ATOM 706 CG PRO A 76 -4.462 -9.864 13.518 1.00 26.50 C ATOM 707 CD PRO A 76 -3.285 -8.995 13.172 1.00 21.42 C ATOM 708 N GLU A 77 -5.261 -5.716 13.453 1.00 18.16 N ATOM 709 CA GLU A 77 -5.736 -4.394 13.861 1.00 18.81 C ATOM 710 C GLU A 77 -5.881 -3.404 12.689 1.00 22.16 C ATOM 711 O GLU A 77 -6.695 -2.468 12.786 1.00 22.28 O ATOM 712 CB GLU A 77 -4.838 -3.805 14.961 1.00 20.15 C ATOM 713 CG GLU A 77 -4.964 -4.516 16.307 1.00 27.95 C ATOM 714 CD GLU A 77 -6.367 -4.583 16.893 1.00 47.33 C ATOM 715 OE1 GLU A 77 -7.013 -3.519 17.045 1.00 34.41 O ATOM 716 OE2 GLU A 77 -6.831 -5.711 17.171 1.00 43.67 O ATOM 717 H GLU A 77 -4.290 -5.989 13.705 1.00 0.00 H ATOM 718 N ILE A 78 -5.098 -3.598 11.602 1.00 17.35 N ATOM 719 CA ILE A 78 -5.141 -2.733 10.415 1.00 16.35 C ATOM 720 C ILE A 78 -6.555 -2.684 9.811 1.00 19.13 C ATOM 721 O ILE A 78 -7.165 -3.719 9.558 1.00 19.38 O ATOM 722 CB ILE A 78 -4.031 -3.086 9.364 1.00 19.04 C ATOM 723 CG1 ILE A 78 -2.609 -2.926 9.956 1.00 18.80 C ATOM 724 CG2 ILE A 78 -4.171 -2.287 8.061 1.00 20.28 C ATOM 725 CD1 ILE A 78 -2.244 -1.532 10.588 1.00 21.76 C ATOM 726 H ILE A 78 -4.434 -4.398 11.607 1.00 0.00 H ATOM 727 N ASN A 79 -7.074 -1.459 9.636 1.00 14.86 N ATOM 728 CA ASN A 79 -8.388 -1.207 9.065 1.00 14.93 C ATOM 729 C ASN A 79 -8.276 -1.359 7.533 1.00 17.90 C ATOM 730 O ASN A 79 -7.473 -0.645 6.925 1.00 15.00 O ATOM 731 CB ASN A 79 -8.849 0.205 9.457 1.00 20.49 C ATOM 732 CG ASN A 79 -10.055 0.726 8.717 1.00 41.03 C ATOM 733 OD1 ASN A 79 -9.980 1.738 8.017 1.00 38.54 O ATOM 734 ND2 ASN A 79 -11.192 0.060 8.862 1.00 30.69 N ATOM 735 HD22 ASN A 79 -11.224 -0.791 9.459 1.00 0.00 H ATOM 736 HD21 ASN A 79 -12.052 0.388 8.378 1.00 0.00 H ATOM 737 H ASN A 79 -6.502 -0.640 9.926 1.00 0.00 H ATOM 738 N PRO A 80 -9.081 -2.264 6.901 1.00 15.85 N ATOM 739 CA PRO A 80 -8.995 -2.443 5.438 1.00 15.75 C ATOM 740 C PRO A 80 -9.196 -1.158 4.637 1.00 19.12 C ATOM 741 O PRO A 80 -8.543 -0.977 3.608 1.00 18.34 O ATOM 742 CB PRO A 80 -10.065 -3.498 5.129 1.00 18.13 C ATOM 743 CG PRO A 80 -10.915 -3.580 6.314 1.00 22.56 C ATOM 744 CD PRO A 80 -10.087 -3.175 7.492 1.00 18.26 C ATOM 745 N GLU A 81 -10.045 -0.249 5.147 1.00 16.59 N ATOM 746 CA GLU A 81 -10.296 1.030 4.500 1.00 17.16 C ATOM 747 C GLU A 81 -9.099 1.966 4.529 1.00 18.52 C ATOM 748 O GLU A 81 -8.754 2.530 3.486 1.00 16.78 O ATOM 749 CB GLU A 81 -11.549 1.719 5.025 1.00 19.09 C ATOM 750 CG GLU A 81 -12.055 2.719 4.005 1.00 35.71 C ATOM 751 CD GLU A 81 -11.906 2.297 2.549 1.00 62.34 C ATOM 752 OE1 GLU A 81 -12.484 1.252 2.161 1.00 52.68 O ATOM 753 OE2 GLU A 81 -11.190 3.003 1.801 1.00 55.16 O ATOM 754 H GLU A 81 -10.540 -0.468 6.035 1.00 0.00 H ATOM 755 N GLY A 82 -8.438 2.072 5.684 1.00 13.91 N ATOM 756 CA GLY A 82 -7.219 2.851 5.794 1.00 12.72 C ATOM 757 C GLY A 82 -6.161 2.267 4.869 1.00 14.22 C ATOM 758 O GLY A 82 -5.467 3.011 4.170 1.00 12.86 O ATOM 759 H GLY A 82 -8.806 1.584 6.526 1.00 0.00 H ATOM 760 N PHE A 83 -6.099 0.903 4.772 1.00 10.76 N ATOM 761 CA PHE A 83 -5.132 0.284 3.878 1.00 10.62 C ATOM 762 C PHE A 83 -5.421 0.665 2.427 1.00 14.62 C ATOM 763 O PHE A 83 -4.492 1.106 1.718 1.00 13.16 O ATOM 764 CB PHE A 83 -5.026 -1.246 4.058 1.00 11.92 C ATOM 765 CG PHE A 83 -4.070 -1.850 3.056 1.00 11.65 C ATOM 766 CD1 PHE A 83 -2.694 -1.740 3.230 1.00 13.27 C ATOM 767 CD2 PHE A 83 -4.541 -2.417 1.871 1.00 11.27 C ATOM 768 CE1 PHE A 83 -1.815 -2.218 2.256 1.00 14.59 C ATOM 769 CE2 PHE A 83 -3.661 -2.902 0.908 1.00 13.51 C ATOM 770 CZ PHE A 83 -2.303 -2.826 1.119 1.00 12.26 C ATOM 771 H PHE A 83 -6.741 0.311 5.336 1.00 0.00 H ATOM 772 N ASN A 84 -6.709 0.540 1.996 1.00 12.63 N ATOM 773 CA ASN A 84 -7.104 0.852 0.618 1.00 11.88 C ATOM 774 C ASN A 84 -6.805 2.298 0.224 1.00 14.02 C ATOM 775 O ASN A 84 -6.375 2.544 -0.906 1.00 13.57 O ATOM 776 CB ASN A 84 -8.574 0.515 0.348 1.00 16.35 C ATOM 777 CG ASN A 84 -8.875 0.312 -1.115 1.00 36.61 C ATOM 778 OD1 ASN A 84 -7.986 0.015 -1.937 1.00 34.81 O ATOM 779 ND2 ASN A 84 -10.149 0.386 -1.458 1.00 27.46 N ATOM 780 HD22 ASN A 84 -10.865 0.637 -0.747 1.00 0.00 H ATOM 781 HD21 ASN A 84 -10.435 0.194 -2.439 1.00 0.00 H ATOM 782 H ASN A 84 -7.434 0.213 2.666 1.00 0.00 H ATOM 783 N ILE A 85 -6.945 3.239 1.174 1.00 11.14 N ATOM 784 CA ILE A 85 -6.638 4.652 0.922 1.00 11.63 C ATOM 785 C ILE A 85 -5.128 4.810 0.633 1.00 14.11 C ATOM 786 O ILE A 85 -4.728 5.536 -0.272 1.00 14.53 O ATOM 787 CB ILE A 85 -7.156 5.517 2.103 1.00 14.86 C ATOM 788 CG1 ILE A 85 -8.690 5.674 1.999 1.00 15.34 C ATOM 789 CG2 ILE A 85 -6.459 6.899 2.186 1.00 16.01 C ATOM 790 CD1 ILE A 85 -9.417 5.834 3.410 1.00 26.34 C ATOM 791 H ILE A 85 -7.281 2.957 2.117 1.00 0.00 H ATOM 792 N LEU A 86 -4.319 4.051 1.364 1.00 9.91 N ATOM 793 CA LEU A 86 -2.866 4.089 1.229 1.00 9.54 C ATOM 794 C LEU A 86 -2.392 3.370 -0.024 1.00 10.85 C ATOM 795 O LEU A 86 -1.496 3.870 -0.680 1.00 8.58 O ATOM 796 CB LEU A 86 -2.172 3.599 2.490 1.00 10.17 C ATOM 797 CG LEU A 86 -2.264 4.619 3.616 1.00 15.28 C ATOM 798 CD1 LEU A 86 -1.621 4.113 4.858 1.00 16.69 C ATOM 799 CD2 LEU A 86 -1.610 5.925 3.229 1.00 18.99 C ATOM 800 H LEU A 86 -4.738 3.403 2.061 1.00 0.00 H ATOM 801 N LEU A 87 -3.057 2.258 -0.397 1.00 8.97 N ATOM 802 CA LEU A 87 -2.756 1.542 -1.632 1.00 7.79 C ATOM 803 C LEU A 87 -3.078 2.437 -2.827 1.00 11.80 C ATOM 804 O LEU A 87 -2.271 2.536 -3.771 1.00 12.39 O ATOM 805 CB LEU A 87 -3.544 0.219 -1.696 1.00 6.89 C ATOM 806 CG LEU A 87 -3.207 -0.679 -2.891 1.00 10.88 C ATOM 807 CD1 LEU A 87 -1.705 -1.071 -2.894 1.00 9.54 C ATOM 808 CD2 LEU A 87 -4.073 -1.910 -2.911 1.00 14.06 C ATOM 809 H LEU A 87 -3.813 1.897 0.219 1.00 0.00 H ATOM 810 N ASP A 88 -4.243 3.124 -2.779 1.00 10.11 N ATOM 811 CA ASP A 88 -4.591 4.087 -3.830 1.00 9.96 C ATOM 812 C ASP A 88 -3.537 5.215 -3.875 1.00 11.54 C ATOM 813 O ASP A 88 -3.070 5.572 -4.961 1.00 9.79 O ATOM 814 CB ASP A 88 -5.998 4.657 -3.634 1.00 11.83 C ATOM 815 CG ASP A 88 -7.132 3.714 -3.992 1.00 28.92 C ATOM 816 OD1 ASP A 88 -6.960 2.892 -4.940 1.00 32.11 O ATOM 817 OD2 ASP A 88 -8.208 3.833 -3.379 1.00 34.52 O ATOM 818 H ASP A 88 -4.899 2.968 -1.988 1.00 0.00 H ATOM 819 N PHE A 89 -3.070 5.685 -2.688 1.00 8.70 N ATOM 820 CA PHE A 89 -2.038 6.715 -2.673 1.00 7.68 C ATOM 821 C PHE A 89 -0.771 6.210 -3.379 1.00 8.84 C ATOM 822 O PHE A 89 -0.208 6.907 -4.207 1.00 7.14 O ATOM 823 CB PHE A 89 -1.714 7.177 -1.249 1.00 9.04 C ATOM 824 CG PHE A 89 -0.416 7.948 -1.212 1.00 9.18 C ATOM 825 CD1 PHE A 89 -0.356 9.263 -1.654 1.00 10.73 C ATOM 826 CD2 PHE A 89 0.762 7.339 -0.785 1.00 11.74 C ATOM 827 CE1 PHE A 89 0.856 9.941 -1.706 1.00 11.53 C ATOM 828 CE2 PHE A 89 1.968 8.031 -0.803 1.00 14.22 C ATOM 829 CZ PHE A 89 2.009 9.331 -1.268 1.00 12.06 C ATOM 830 H PHE A 89 -3.447 5.311 -1.794 1.00 0.00 H ATOM 831 N MET A 90 -0.323 4.977 -3.062 1.00 6.88 N ATOM 832 CA MET A 90 0.882 4.462 -3.692 1.00 5.66 C ATOM 833 C MET A 90 0.855 4.568 -5.235 1.00 9.22 C ATOM 834 O MET A 90 1.864 4.889 -5.851 1.00 9.10 O ATOM 835 CB MET A 90 1.112 3.007 -3.300 1.00 6.70 C ATOM 836 CG MET A 90 1.255 2.794 -1.805 1.00 8.61 C ATOM 837 SD MET A 90 1.576 1.037 -1.551 1.00 11.38 S ATOM 838 CE MET A 90 1.395 0.906 0.246 1.00 9.26 C ATOM 839 H MET A 90 -0.838 4.397 -2.369 1.00 0.00 H ATOM 840 N TYR A 91 -0.308 4.264 -5.829 1.00 8.41 N ATOM 841 CA TYR A 91 -0.532 4.206 -7.255 1.00 8.16 C ATOM 842 C TYR A 91 -1.008 5.506 -7.915 1.00 10.26 C ATOM 843 O TYR A 91 -1.119 5.509 -9.143 1.00 9.05 O ATOM 844 CB TYR A 91 -1.551 3.088 -7.544 1.00 8.93 C ATOM 845 CG TYR A 91 -0.966 1.686 -7.578 1.00 8.85 C ATOM 846 CD1 TYR A 91 -0.475 1.150 -8.757 1.00 9.62 C ATOM 847 CD2 TYR A 91 -0.885 0.915 -6.422 1.00 9.73 C ATOM 848 CE1 TYR A 91 0.106 -0.119 -8.792 1.00 9.11 C ATOM 849 CE2 TYR A 91 -0.344 -0.378 -6.454 1.00 11.87 C ATOM 850 CZ TYR A 91 0.122 -0.898 -7.655 1.00 11.75 C ATOM 851 OH TYR A 91 0.620 -2.175 -7.764 1.00 9.50 O ATOM 852 HH TYR A 91 0.895 -2.342 -8.700 1.00 0.00 H ATOM 853 H TYR A 91 -1.117 4.052 -5.211 1.00 0.00 H ATOM 854 N THR A 92 -1.309 6.590 -7.135 1.00 8.36 N ATOM 855 CA THR A 92 -1.862 7.828 -7.705 1.00 7.86 C ATOM 856 C THR A 92 -1.199 9.124 -7.258 1.00 11.17 C ATOM 857 O THR A 92 -1.467 10.160 -7.877 1.00 10.68 O ATOM 858 CB THR A 92 -3.354 7.967 -7.328 1.00 13.55 C ATOM 859 OG1 THR A 92 -3.496 8.123 -5.910 1.00 11.14 O ATOM 860 CG2 THR A 92 -4.196 6.811 -7.840 1.00 13.27 C ATOM 861 HG1 THR A 92 -3.119 7.330 -5.453 1.00 0.00 H ATOM 862 H THR A 92 -1.142 6.537 -6.110 1.00 0.00 H ATOM 863 N SER A 93 -0.419 9.102 -6.144 1.00 8.50 N ATOM 864 CA SER A 93 0.188 10.317 -5.553 1.00 9.20 C ATOM 865 C SER A 93 -0.856 11.207 -4.871 1.00 13.32 C ATOM 866 O SER A 93 -0.528 12.346 -4.510 1.00 12.14 O ATOM 867 CB SER A 93 0.977 11.128 -6.584 1.00 11.92 C ATOM 868 OG SER A 93 1.877 10.388 -7.390 1.00 11.39 O ATOM 869 HG SER A 93 2.334 11.000 -8.019 1.00 0.00 H ATOM 870 H SER A 93 -0.240 8.187 -5.684 1.00 0.00 H ATOM 871 N ARG A 94 -2.104 10.706 -4.714 1.00 10.03 N ATOM 872 CA ARG A 94 -3.205 11.474 -4.108 1.00 11.81 C ATOM 873 C ARG A 94 -3.683 10.772 -2.832 1.00 15.19 C ATOM 874 O ARG A 94 -3.927 9.569 -2.849 1.00 13.44 O ATOM 875 CB ARG A 94 -4.360 11.638 -5.110 1.00 11.51 C ATOM 876 CG ARG A 94 -3.966 12.456 -6.342 1.00 24.62 C ATOM 877 CD ARG A 94 -5.044 12.451 -7.398 1.00 38.10 C ATOM 878 NE ARG A 94 -4.607 13.141 -8.615 1.00 59.59 N ATOM 879 CZ ARG A 94 -4.979 14.372 -8.960 1.00 77.41 C ATOM 880 NH1 ARG A 94 -5.805 15.066 -8.184 1.00 65.80 N ATOM 881 NH2 ARG A 94 -4.537 14.914 -10.087 1.00 63.94 N ATOM 882 HE ARG A 94 -3.961 12.634 -9.253 1.00 0.00 H ATOM 883 HH12 ARG A 94 -6.092 16.027 -8.459 1.00 0.00 H ATOM 884 HH11 ARG A 94 -6.164 14.648 -7.302 1.00 0.00 H ATOM 885 HH22 ARG A 94 -4.831 15.876 -10.352 1.00 0.00 H ATOM 886 HH21 ARG A 94 -3.897 14.377 -10.706 1.00 0.00 H ATOM 887 H ARG A 94 -2.294 9.735 -5.036 1.00 0.00 H ATOM 888 N LEU A 95 -3.756 11.514 -1.725 1.00 13.12 N ATOM 889 CA LEU A 95 -4.136 10.958 -0.432 1.00 13.58 C ATOM 890 C LEU A 95 -5.529 11.434 -0.054 1.00 21.44 C ATOM 891 O LEU A 95 -5.786 12.639 0.001 1.00 20.70 O ATOM 892 CB LEU A 95 -3.108 11.380 0.638 1.00 12.72 C ATOM 893 CG LEU A 95 -3.245 10.764 2.060 1.00 16.25 C ATOM 894 CD1 LEU A 95 -2.980 9.270 2.032 1.00 14.95 C ATOM 895 CD2 LEU A 95 -2.252 11.414 3.009 1.00 16.19 C ATOM 896 H LEU A 95 -3.533 12.528 -1.787 1.00 0.00 H ATOM 897 N ASN A 96 -6.412 10.490 0.218 1.00 20.73 N ATOM 898 CA ASN A 96 -7.784 10.791 0.616 1.00 21.71 C ATOM 899 C ASN A 96 -7.884 10.951 2.142 1.00 26.43 C ATOM 900 O ASN A 96 -8.324 10.030 2.838 1.00 26.31 O ATOM 901 CB ASN A 96 -8.751 9.729 0.071 1.00 24.39 C ATOM 902 CG ASN A 96 -10.212 10.069 0.238 1.00 40.72 C ATOM 903 OD1 ASN A 96 -10.601 11.237 0.360 1.00 32.97 O ATOM 904 ND2 ASN A 96 -11.059 9.049 0.213 1.00 35.47 N ATOM 905 HD22 ASN A 96 -10.701 8.078 0.109 1.00 0.00 H ATOM 906 HD21 ASN A 96 -12.081 9.220 0.297 1.00 0.00 H ATOM 907 H ASN A 96 -6.119 9.495 0.146 1.00 0.00 H ATOM 908 N LEU A 97 -7.457 12.125 2.654 1.00 23.43 N ATOM 909 CA LEU A 97 -7.516 12.447 4.091 1.00 23.86 C ATOM 910 C LEU A 97 -8.717 13.323 4.420 1.00 29.32 C ATOM 911 O LEU A 97 -9.006 14.287 3.706 1.00 29.00 O ATOM 912 CB LEU A 97 -6.267 13.199 4.556 1.00 24.34 C ATOM 913 CG LEU A 97 -5.088 12.431 5.157 1.00 28.97 C ATOM 914 CD1 LEU A 97 -4.074 13.406 5.765 1.00 27.71 C ATOM 915 CD2 LEU A 97 -5.528 11.397 6.197 1.00 31.89 C ATOM 916 H LEU A 97 -7.068 12.836 2.003 1.00 0.00 H ATOM 917 N ARG A 98 -9.383 13.004 5.530 1.00 26.92 N ATOM 918 CA ARG A 98 -10.522 13.734 6.077 1.00 26.93 C ATOM 919 C ARG A 98 -10.409 13.689 7.615 1.00 30.74 C ATOM 920 O ARG A 98 -9.473 13.078 8.148 1.00 28.77 O ATOM 921 CB ARG A 98 -11.841 13.087 5.615 1.00 27.24 C ATOM 922 CG ARG A 98 -12.263 13.440 4.194 1.00 38.47 C ATOM 923 CD ARG A 98 -13.548 12.741 3.790 1.00 45.44 C ATOM 924 NE ARG A 98 -13.360 11.303 3.581 1.00 53.60 N ATOM 925 CZ ARG A 98 -14.054 10.568 2.715 1.00 67.44 C ATOM 926 NH1 ARG A 98 -14.989 11.128 1.956 1.00 52.87 N ATOM 927 NH2 ARG A 98 -13.813 9.269 2.595 1.00 53.25 N ATOM 928 HE ARG A 98 -12.633 10.823 4.149 1.00 0.00 H ATOM 929 HH12 ARG A 98 -15.528 10.548 1.281 1.00 0.00 H ATOM 930 HH11 ARG A 98 -15.183 12.147 2.036 1.00 0.00 H ATOM 931 HH22 ARG A 98 -14.358 8.699 1.917 1.00 0.00 H ATOM 932 HH21 ARG A 98 -13.079 8.820 3.179 1.00 0.00 H ATOM 933 H ARG A 98 -9.063 12.163 6.051 1.00 0.00 H ATOM 934 N GLU A 99 -11.353 14.330 8.329 1.00 28.89 N ATOM 935 CA GLU A 99 -11.375 14.270 9.794 1.00 28.68 C ATOM 936 C GLU A 99 -11.856 12.866 10.218 1.00 32.32 C ATOM 937 O GLU A 99 -11.357 12.309 11.199 1.00 34.33 O ATOM 938 CB GLU A 99 -12.305 15.355 10.381 1.00 30.15 C ATOM 939 CG GLU A 99 -11.577 16.412 11.203 1.00 41.73 C ATOM 940 CD GLU A 99 -10.668 15.916 12.315 1.00 68.92 C ATOM 941 OE1 GLU A 99 -9.463 16.253 12.279 1.00 68.12 O ATOM 942 OE2 GLU A 99 -11.149 15.183 13.209 1.00 65.39 O ATOM 943 H GLU A 99 -12.082 14.879 7.831 1.00 0.00 H ATOM 944 N GLY A 100 -12.767 12.299 9.430 1.00 26.06 N ATOM 945 CA GLY A 100 -13.360 10.988 9.658 1.00 25.89 C ATOM 946 C GLY A 100 -12.471 9.782 9.424 1.00 30.97 C ATOM 947 O GLY A 100 -12.901 8.662 9.723 1.00 30.53 O ATOM 948 H GLY A 100 -13.078 12.830 8.591 1.00 0.00 H ATOM 949 N ASN A 101 -11.233 9.974 8.878 1.00 27.66 N ATOM 950 CA ASN A 101 -10.327 8.839 8.633 1.00 27.20 C ATOM 951 C ASN A 101 -8.838 9.118 8.961 1.00 29.13 C ATOM 952 O ASN A 101 -8.027 8.199 8.828 1.00 29.68 O ATOM 953 CB ASN A 101 -10.487 8.270 7.197 1.00 27.55 C ATOM 954 CG ASN A 101 -9.965 9.114 6.051 1.00 35.19 C ATOM 955 OD1 ASN A 101 -9.061 9.935 6.191 1.00 24.43 O ATOM 956 ND2 ASN A 101 -10.478 8.861 4.855 1.00 33.27 N ATOM 957 HD22 ASN A 101 -11.243 8.163 4.754 1.00 0.00 H ATOM 958 HD21 ASN A 101 -10.116 9.360 4.018 1.00 0.00 H ATOM 959 H ASN A 101 -10.926 10.937 8.632 1.00 0.00 H ATOM 960 N ILE A 102 -8.479 10.353 9.374 1.00 24.35 N ATOM 961 CA ILE A 102 -7.097 10.748 9.721 1.00 24.71 C ATOM 962 C ILE A 102 -6.400 9.749 10.687 1.00 28.66 C ATOM 963 O ILE A 102 -5.235 9.397 10.462 1.00 26.37 O ATOM 964 CB ILE A 102 -6.993 12.222 10.247 1.00 28.57 C ATOM 965 CG1 ILE A 102 -5.550 12.612 10.673 1.00 29.02 C ATOM 966 CG2 ILE A 102 -7.997 12.531 11.370 1.00 30.72 C ATOM 967 CD1 ILE A 102 -4.580 12.821 9.569 1.00 37.90 C ATOM 968 H ILE A 102 -9.224 11.074 9.453 1.00 0.00 H ATOM 969 N MET A 103 -7.121 9.298 11.744 1.00 26.23 N ATOM 970 CA MET A 103 -6.578 8.373 12.740 1.00 25.93 C ATOM 971 C MET A 103 -6.244 7.004 12.163 1.00 28.32 C ATOM 972 O MET A 103 -5.145 6.510 12.427 1.00 28.11 O ATOM 973 CB MET A 103 -7.481 8.251 13.979 1.00 28.22 C ATOM 974 CG MET A 103 -7.706 9.567 14.722 1.00 31.68 C ATOM 975 SD MET A 103 -6.265 10.645 14.869 1.00 35.87 S ATOM 976 CE MET A 103 -5.460 9.939 16.266 1.00 33.07 C ATOM 977 H MET A 103 -8.103 9.624 11.851 1.00 0.00 H ATOM 978 N ALA A 104 -7.181 6.392 11.396 1.00 24.00 N ATOM 979 CA ALA A 104 -6.975 5.091 10.763 1.00 23.47 C ATOM 980 C ALA A 104 -5.904 5.199 9.658 1.00 25.28 C ATOM 981 O ALA A 104 -5.053 4.322 9.568 1.00 24.10 O ATOM 982 CB ALA A 104 -8.282 4.563 10.186 1.00 24.55 C ATOM 983 H ALA A 104 -8.092 6.873 11.251 1.00 0.00 H ATOM 984 N VAL A 105 -5.909 6.295 8.860 1.00 19.73 N ATOM 985 CA VAL A 105 -4.899 6.463 7.803 1.00 18.12 C ATOM 986 C VAL A 105 -3.492 6.659 8.419 1.00 23.01 C ATOM 987 O VAL A 105 -2.515 6.107 7.898 1.00 23.52 O ATOM 988 CB VAL A 105 -5.272 7.541 6.750 1.00 21.08 C ATOM 989 CG1 VAL A 105 -4.104 7.843 5.809 1.00 20.21 C ATOM 990 CG2 VAL A 105 -6.511 7.122 5.949 1.00 20.39 C ATOM 991 H VAL A 105 -6.636 7.026 8.997 1.00 0.00 H ATOM 992 N MET A 106 -3.396 7.381 9.549 1.00 18.35 N ATOM 993 CA MET A 106 -2.112 7.630 10.201 1.00 17.57 C ATOM 994 C MET A 106 -1.589 6.362 10.846 1.00 19.16 C ATOM 995 O MET A 106 -0.404 6.052 10.727 1.00 18.18 O ATOM 996 CB MET A 106 -2.236 8.754 11.222 1.00 20.39 C ATOM 997 CG MET A 106 -0.950 9.107 11.886 1.00 24.63 C ATOM 998 SD MET A 106 -1.174 10.573 12.900 1.00 29.86 S ATOM 999 CE MET A 106 -2.512 10.006 13.986 1.00 26.80 C ATOM 1000 H MET A 106 -4.261 7.774 9.972 1.00 0.00 H ATOM 1001 N ALA A 107 -2.486 5.627 11.502 1.00 16.34 N ATOM 1002 CA ALA A 107 -2.168 4.349 12.154 1.00 16.66 C ATOM 1003 C ALA A 107 -1.619 3.395 11.123 1.00 16.73 C ATOM 1004 O ALA A 107 -0.564 2.839 11.360 1.00 15.20 O ATOM 1005 CB ALA A 107 -3.406 3.760 12.812 1.00 17.96 C ATOM 1006 H ALA A 107 -3.464 5.977 11.556 1.00 0.00 H ATOM 1007 N THR A 108 -2.274 3.308 9.930 1.00 14.08 N ATOM 1008 CA THR A 108 -1.893 2.424 8.822 1.00 12.94 C ATOM 1009 C THR A 108 -0.542 2.845 8.197 1.00 14.85 C ATOM 1010 O THR A 108 0.303 1.973 7.965 1.00 15.23 O ATOM 1011 CB THR A 108 -3.046 2.298 7.792 1.00 15.82 C ATOM 1012 OG1 THR A 108 -4.280 2.094 8.479 1.00 14.15 O ATOM 1013 CG2 THR A 108 -2.833 1.141 6.795 1.00 13.31 C ATOM 1014 HG1 THR A 108 -4.455 2.863 9.077 1.00 0.00 H ATOM 1015 H THR A 108 -3.108 3.915 9.795 1.00 0.00 H ATOM 1016 N ALA A 109 -0.329 4.155 7.937 1.00 11.62 N ATOM 1017 CA ALA A 109 0.945 4.665 7.382 1.00 11.30 C ATOM 1018 C ALA A 109 2.124 4.451 8.335 1.00 14.36 C ATOM 1019 O ALA A 109 3.253 4.261 7.887 1.00 12.83 O ATOM 1020 CB ALA A 109 0.818 6.147 7.004 1.00 12.76 C ATOM 1021 H ALA A 109 -1.093 4.833 8.135 1.00 0.00 H ATOM 1022 N MET A 110 1.866 4.450 9.651 1.00 11.68 N ATOM 1023 CA MET A 110 2.951 4.207 10.608 1.00 12.81 C ATOM 1024 C MET A 110 3.369 2.746 10.494 1.00 14.99 C ATOM 1025 O MET A 110 4.554 2.449 10.387 1.00 15.61 O ATOM 1026 CB MET A 110 2.489 4.493 12.028 1.00 15.63 C ATOM 1027 CG MET A 110 2.462 5.973 12.344 1.00 20.51 C ATOM 1028 SD MET A 110 1.575 6.282 13.890 1.00 26.51 S ATOM 1029 CE MET A 110 2.770 5.702 15.064 1.00 23.95 C ATOM 1030 H MET A 110 0.899 4.621 9.992 1.00 0.00 H ATOM 1031 N TYR A 111 2.377 1.849 10.443 1.00 12.35 N ATOM 1032 CA TYR A 111 2.588 0.405 10.291 1.00 12.04 C ATOM 1033 C TYR A 111 3.301 0.095 8.970 1.00 15.05 C ATOM 1034 O TYR A 111 4.266 -0.657 8.961 1.00 13.82 O ATOM 1035 CB TYR A 111 1.241 -0.318 10.347 1.00 12.60 C ATOM 1036 CG TYR A 111 1.292 -1.798 10.012 1.00 13.55 C ATOM 1037 CD1 TYR A 111 1.942 -2.701 10.849 1.00 14.48 C ATOM 1038 CD2 TYR A 111 0.664 -2.298 8.875 1.00 15.01 C ATOM 1039 CE1 TYR A 111 1.945 -4.065 10.575 1.00 12.93 C ATOM 1040 CE2 TYR A 111 0.645 -3.662 8.599 1.00 15.61 C ATOM 1041 CZ TYR A 111 1.321 -4.540 9.431 1.00 20.10 C ATOM 1042 OH TYR A 111 1.267 -5.894 9.182 1.00 14.67 O ATOM 1043 HH TYR A 111 1.799 -6.375 9.864 1.00 0.00 H ATOM 1044 H TYR A 111 1.399 2.196 10.515 1.00 0.00 H ATOM 1045 N LEU A 112 2.831 0.689 7.851 1.00 12.70 N ATOM 1046 CA LEU A 112 3.400 0.474 6.518 1.00 11.39 C ATOM 1047 C LEU A 112 4.724 1.177 6.306 1.00 15.24 C ATOM 1048 O LEU A 112 5.375 0.967 5.281 1.00 11.85 O ATOM 1049 CB LEU A 112 2.426 0.872 5.410 1.00 11.07 C ATOM 1050 CG LEU A 112 1.108 0.153 5.302 1.00 13.09 C ATOM 1051 CD1 LEU A 112 0.259 0.807 4.243 1.00 13.99 C ATOM 1052 CD2 LEU A 112 1.289 -1.350 4.999 1.00 14.48 C ATOM 1053 H LEU A 112 2.021 1.335 7.941 1.00 0.00 H ATOM 1054 N GLN A 113 5.139 2.002 7.291 1.00 11.94 N ATOM 1055 CA GLN A 113 6.382 2.762 7.254 1.00 12.01 C ATOM 1056 C GLN A 113 6.397 3.661 6.008 1.00 13.59 C ATOM 1057 O GLN A 113 7.241 3.491 5.145 1.00 11.81 O ATOM 1058 CB GLN A 113 7.609 1.830 7.293 1.00 12.62 C ATOM 1059 CG GLN A 113 7.745 1.024 8.557 1.00 19.12 C ATOM 1060 CD GLN A 113 8.723 -0.109 8.425 1.00 28.44 C ATOM 1061 OE1 GLN A 113 9.762 -0.017 7.742 1.00 21.04 O ATOM 1062 NE2 GLN A 113 8.397 -1.210 9.085 1.00 25.68 N ATOM 1063 HE22 GLN A 113 7.520 -1.242 9.643 1.00 0.00 H ATOM 1064 HE21 GLN A 113 9.018 -2.043 9.046 1.00 0.00 H ATOM 1065 H GLN A 113 4.533 2.102 8.130 1.00 0.00 H ATOM 1066 N MET A 114 5.427 4.600 5.916 1.00 11.07 N ATOM 1067 CA MET A 114 5.310 5.543 4.798 1.00 10.85 C ATOM 1068 C MET A 114 5.479 6.906 5.440 1.00 16.42 C ATOM 1069 O MET A 114 4.488 7.539 5.803 1.00 16.94 O ATOM 1070 CB MET A 114 3.930 5.376 4.122 1.00 11.77 C ATOM 1071 CG MET A 114 3.797 4.031 3.438 1.00 12.54 C ATOM 1072 SD MET A 114 2.168 3.669 2.808 1.00 16.01 S ATOM 1073 CE MET A 114 2.032 4.882 1.531 1.00 13.36 C ATOM 1074 H MET A 114 4.725 4.656 6.681 1.00 0.00 H ATOM 1075 N GLU A 115 6.745 7.290 5.690 1.00 15.30 N ATOM 1076 CA GLU A 115 7.112 8.523 6.416 1.00 16.50 C ATOM 1077 C GLU A 115 6.473 9.817 5.879 1.00 20.69 C ATOM 1078 O GLU A 115 6.049 10.633 6.702 1.00 19.89 O ATOM 1079 CB GLU A 115 8.635 8.702 6.556 1.00 18.97 C ATOM 1080 CG GLU A 115 9.424 8.827 5.258 1.00 29.82 C ATOM 1081 CD GLU A 115 10.687 9.658 5.388 1.00 52.41 C ATOM 1082 OE1 GLU A 115 10.578 10.905 5.456 1.00 52.28 O ATOM 1083 OE2 GLU A 115 11.787 9.060 5.428 1.00 37.50 O ATOM 1084 H GLU A 115 7.515 6.679 5.350 1.00 0.00 H ATOM 1085 N HIS A 116 6.403 10.021 4.542 1.00 18.97 N ATOM 1086 CA HIS A 116 5.813 11.255 3.987 1.00 18.96 C ATOM 1087 C HIS A 116 4.321 11.359 4.276 1.00 21.18 C ATOM 1088 O HIS A 116 3.809 12.459 4.487 1.00 20.50 O ATOM 1089 CB HIS A 116 6.129 11.441 2.491 1.00 20.54 C ATOM 1090 CG HIS A 116 7.594 11.340 2.189 1.00 24.50 C ATOM 1091 ND1 HIS A 116 8.494 12.276 2.666 1.00 26.72 N ATOM 1092 CD2 HIS A 116 8.274 10.384 1.515 1.00 26.80 C ATOM 1093 CE1 HIS A 116 9.687 11.864 2.265 1.00 26.57 C ATOM 1094 NE2 HIS A 116 9.604 10.737 1.557 1.00 26.79 N ATOM 1095 H HIS A 116 6.772 9.295 3.895 1.00 0.00 H ATOM 1096 N VAL A 117 3.620 10.219 4.304 1.00 16.00 N ATOM 1097 CA VAL A 117 2.197 10.186 4.625 1.00 15.00 C ATOM 1098 C VAL A 117 2.034 10.462 6.133 1.00 18.95 C ATOM 1099 O VAL A 117 1.122 11.207 6.509 1.00 18.50 O ATOM 1100 CB VAL A 117 1.520 8.856 4.184 1.00 17.40 C ATOM 1101 CG1 VAL A 117 0.074 8.785 4.667 1.00 16.63 C ATOM 1102 CG2 VAL A 117 1.574 8.704 2.667 1.00 17.44 C ATOM 1103 H VAL A 117 4.107 9.325 4.089 1.00 0.00 H ATOM 1104 N VAL A 118 2.942 9.889 6.976 1.00 16.09 N ATOM 1105 CA VAL A 118 2.955 10.073 8.435 1.00 15.51 C ATOM 1106 C VAL A 118 3.147 11.575 8.739 1.00 20.62 C ATOM 1107 O VAL A 118 2.362 12.126 9.501 1.00 19.63 O ATOM 1108 CB VAL A 118 3.986 9.169 9.175 1.00 18.76 C ATOM 1109 CG1 VAL A 118 4.083 9.525 10.670 1.00 18.86 C ATOM 1110 CG2 VAL A 118 3.625 7.698 9.013 1.00 17.98 C ATOM 1111 H VAL A 118 3.675 9.281 6.558 1.00 0.00 H ATOM 1112 N ASP A 119 4.131 12.229 8.071 1.00 18.43 N ATOM 1113 CA ASP A 119 4.426 13.664 8.199 1.00 18.60 C ATOM 1114 C ASP A 119 3.213 14.541 7.795 1.00 21.95 C ATOM 1115 O ASP A 119 2.898 15.514 8.500 1.00 21.35 O ATOM 1116 CB ASP A 119 5.673 14.040 7.380 1.00 20.99 C ATOM 1117 CG ASP A 119 6.973 13.416 7.844 1.00 39.17 C ATOM 1118 OD1 ASP A 119 7.031 12.945 9.010 1.00 40.63 O ATOM 1119 OD2 ASP A 119 7.948 13.421 7.054 1.00 48.20 O ATOM 1120 H ASP A 119 4.721 11.673 7.419 1.00 0.00 H ATOM 1121 N THR A 120 2.505 14.158 6.708 1.00 16.08 N ATOM 1122 CA THR A 120 1.309 14.861 6.222 1.00 16.82 C ATOM 1123 C THR A 120 0.162 14.699 7.189 1.00 22.62 C ATOM 1124 O THR A 120 -0.649 15.613 7.346 1.00 24.14 O ATOM 1125 CB THR A 120 0.927 14.381 4.810 1.00 22.75 C ATOM 1126 OG1 THR A 120 2.039 14.576 3.940 1.00 22.60 O ATOM 1127 CG2 THR A 120 -0.326 15.072 4.251 1.00 21.20 C ATOM 1128 HG1 THR A 120 2.812 14.056 4.273 1.00 0.00 H ATOM 1129 H THR A 120 2.825 13.318 6.186 1.00 0.00 H ATOM 1130 N CYS A 121 0.073 13.527 7.815 1.00 18.21 N ATOM 1131 CA CYS A 121 -0.952 13.242 8.812 1.00 18.21 C ATOM 1132 C CYS A 121 -0.707 14.122 10.055 1.00 23.29 C ATOM 1133 O CYS A 121 -1.665 14.700 10.574 1.00 22.72 O ATOM 1134 CB CYS A 121 -0.985 11.751 9.140 1.00 17.35 C ATOM 1135 SG CYS A 121 -1.818 10.735 7.881 1.00 20.71 S ATOM 1136 H CYS A 121 0.763 12.784 7.583 1.00 0.00 H ATOM 1137 N ARG A 122 0.583 14.323 10.425 1.00 22.76 N ATOM 1138 CA ARG A 122 1.067 15.180 11.525 1.00 22.33 C ATOM 1139 C ARG A 122 0.832 16.668 11.207 1.00 27.31 C ATOM 1140 O ARG A 122 0.693 17.472 12.131 1.00 26.89 O ATOM 1141 CB ARG A 122 2.564 14.961 11.772 1.00 21.47 C ATOM 1142 CG ARG A 122 2.897 13.715 12.594 1.00 21.79 C ATOM 1143 CD ARG A 122 4.328 13.754 13.086 1.00 27.10 C ATOM 1144 NE ARG A 122 4.485 14.662 14.224 1.00 37.98 N ATOM 1145 CZ ARG A 122 5.322 14.460 15.238 1.00 49.12 C ATOM 1146 NH1 ARG A 122 6.100 13.383 15.263 1.00 30.22 N ATOM 1147 NH2 ARG A 122 5.388 15.333 16.234 1.00 34.55 N ATOM 1148 HE ARG A 122 3.903 15.523 14.241 1.00 0.00 H ATOM 1149 HH12 ARG A 122 6.752 13.231 16.059 1.00 0.00 H ATOM 1150 HH11 ARG A 122 6.057 12.692 14.487 1.00 0.00 H ATOM 1151 HH22 ARG A 122 6.044 15.171 17.025 1.00 0.00 H ATOM 1152 HH21 ARG A 122 4.784 16.180 16.224 1.00 0.00 H ATOM 1153 H ARG A 122 1.308 13.820 9.875 1.00 0.00 H ATOM 1154 N LYS A 123 0.835 17.041 9.905 1.00 22.75 N ATOM 1155 CA LYS A 123 0.596 18.431 9.477 1.00 22.40 C ATOM 1156 C LYS A 123 -0.896 18.700 9.363 1.00 27.27 C ATOM 1157 O LYS A 123 -1.316 19.846 9.530 1.00 27.23 O ATOM 1158 CB LYS A 123 1.356 18.787 8.183 1.00 24.77 C ATOM 1159 CG LYS A 123 2.862 18.934 8.384 1.00 30.76 C ATOM 1160 CD LYS A 123 3.610 18.998 7.061 1.00 29.99 C ATOM 1161 CE LYS A 123 5.104 18.946 7.244 1.00 44.37 C ATOM 1162 NZ LYS A 123 5.819 18.965 5.936 1.00 55.33 N ATOM 1163 HZ1 LYS A 123 5.528 18.141 5.371 1.00 0.00 H ATOM 1164 HZ2 LYS A 123 5.581 19.839 5.425 1.00 0.00 H ATOM 1165 HZ3 LYS A 123 6.845 18.928 6.103 1.00 0.00 H ATOM 1166 H LYS A 123 1.013 16.318 9.179 1.00 0.00 H ATOM 1167 N PHE A 124 -1.703 17.642 9.127 1.00 24.33 N ATOM 1168 CA PHE A 124 -3.162 17.723 9.051 1.00 25.62 C ATOM 1169 C PHE A 124 -3.708 18.009 10.449 1.00 33.24 C ATOM 1170 O PHE A 124 -4.538 18.907 10.601 1.00 33.25 O ATOM 1171 CB PHE A 124 -3.766 16.439 8.476 1.00 27.40 C ATOM 1172 CG PHE A 124 -5.245 16.480 8.160 1.00 29.02 C ATOM 1173 CD1 PHE A 124 -5.699 16.971 6.941 1.00 31.27 C ATOM 1174 CD2 PHE A 124 -6.178 15.966 9.050 1.00 32.04 C ATOM 1175 CE1 PHE A 124 -7.060 16.979 6.635 1.00 31.91 C ATOM 1176 CE2 PHE A 124 -7.540 15.963 8.737 1.00 35.04 C ATOM 1177 CZ PHE A 124 -7.971 16.474 7.530 1.00 32.45 C ATOM 1178 H PHE A 124 -1.259 16.711 8.991 1.00 0.00 H ATOM 1179 N ILE A 125 -3.201 17.279 11.471 1.00 31.25 N ATOM 1180 CA ILE A 125 -3.586 17.457 12.883 1.00 30.81 C ATOM 1181 C ILE A 125 -3.196 18.865 13.371 1.00 34.90 C ATOM 1182 O ILE A 125 -4.021 19.537 13.993 1.00 35.30 O ATOM 1183 CB ILE A 125 -3.024 16.314 13.790 1.00 33.24 C ATOM 1184 CG1 ILE A 125 -3.539 14.933 13.334 1.00 33.27 C ATOM 1185 CG2 ILE A 125 -3.359 16.540 15.276 1.00 34.63 C ATOM 1186 CD1 ILE A 125 -2.633 13.782 13.713 1.00 38.06 C ATOM 1187 H ILE A 125 -2.497 16.548 11.246 1.00 0.00 H ATOM 1188 N LYS A 126 -1.966 19.317 13.051 1.00 31.51 N ATOM 1189 CA LYS A 126 -1.417 20.629 13.411 1.00 31.81 C ATOM 1190 C LYS A 126 -2.206 21.817 12.823 1.00 36.47 C ATOM 1191 O LYS A 126 -2.178 22.907 13.393 1.00 35.50 O ATOM 1192 CB LYS A 126 0.071 20.706 13.029 1.00 34.71 C ATOM 1193 CG LYS A 126 0.861 21.747 13.802 1.00 50.54 C ATOM 1194 CD LYS A 126 2.214 22.013 13.169 1.00 61.29 C ATOM 1195 CE LYS A 126 2.869 23.259 13.721 1.00 72.40 C ATOM 1196 NZ LYS A 126 2.221 24.502 13.213 1.00 81.60 N ATOM 1197 HZ1 LYS A 126 2.292 24.529 12.176 1.00 0.00 H ATOM 1198 HZ2 LYS A 126 1.220 24.509 13.494 1.00 0.00 H ATOM 1199 HZ3 LYS A 126 2.701 25.332 13.616 1.00 0.00 H ATOM 1200 H LYS A 126 -1.354 18.680 12.502 1.00 0.00 H ATOM 1201 N ALA A 127 -2.906 21.597 11.690 1.00 34.68 N ATOM 1202 CA ALA A 127 -3.727 22.591 10.991 1.00 34.83 C ATOM 1203 C ALA A 127 -5.231 22.238 11.108 1.00 40.10 C ATOM 1204 O ALA A 127 -6.030 22.585 10.229 1.00 40.70 O ATOM 1205 CB ALA A 127 -3.300 22.666 9.529 1.00 35.49 C ATOM 1206 H ALA A 127 -2.859 20.643 11.278 1.00 0.00 H ATOM 1207 N SER A 128 -5.599 21.581 12.230 1.00 36.90 N ATOM 1208 CA SER A 128 -6.933 21.101 12.624 1.00 66.18 C ATOM 1209 C SER A 128 -7.517 20.069 11.672 1.00 95.18 C ATOM 1210 O SER A 128 -8.142 19.115 12.127 1.00 59.31 O ATOM 1211 CB SER A 128 -7.911 22.248 12.873 1.00 69.98 C ATOM 1212 OG SER A 128 -8.348 22.853 11.666 1.00 79.58 O ATOM 1213 HG SER A 128 -7.567 23.215 11.178 1.00 0.00 H ATOM 1214 H SER A 128 -4.834 21.388 12.908 1.00 0.00 H TER 1215 SER A 128 ATOM 1216 N SER B 7 -10.780 15.974 -4.374 1.00 29.78 N ATOM 1217 CA SER B 7 -10.323 16.933 -3.360 1.00 29.06 C ATOM 1218 C SER B 7 -9.125 16.384 -2.566 1.00 29.61 C ATOM 1219 O SER B 7 -8.753 16.930 -1.527 1.00 30.49 O ATOM 1220 CB SER B 7 -11.475 17.301 -2.426 1.00 33.95 C ATOM 1221 OG SER B 7 -12.011 16.162 -1.771 1.00 44.51 O ATOM 1222 HG SER B 7 -12.752 16.442 -1.177 1.00 0.00 H ATOM 1223 HN3 SER B 7 -11.070 15.090 -3.908 1.00 0.00 H ATOM 1224 HN2 SER B 7 -10.005 15.779 -5.039 1.00 0.00 H ATOM 1225 HN1 SER B 7 -11.588 16.376 -4.890 1.00 0.00 H ATOM 1226 N GLN B 8 -8.517 15.310 -3.078 1.00 22.57 N ATOM 1227 CA GLN B 8 -7.393 14.602 -2.462 1.00 19.91 C ATOM 1228 C GLN B 8 -6.104 15.422 -2.367 1.00 19.32 C ATOM 1229 O GLN B 8 -5.860 16.286 -3.214 1.00 16.96 O ATOM 1230 CB GLN B 8 -7.145 13.279 -3.214 1.00 20.86 C ATOM 1231 CG GLN B 8 -8.384 12.385 -3.276 1.00 19.38 C ATOM 1232 CD GLN B 8 -8.102 11.026 -3.854 1.00 31.94 C ATOM 1233 OE1 GLN B 8 -8.743 10.582 -4.807 1.00 31.05 O ATOM 1234 NE2 GLN B 8 -7.137 10.335 -3.295 1.00 20.40 N ATOM 1235 HE22 GLN B 8 -6.611 10.733 -2.491 1.00 0.00 H ATOM 1236 HE21 GLN B 8 -6.898 9.389 -3.656 1.00 0.00 H ATOM 1237 H GLN B 8 -8.870 14.948 -3.987 1.00 0.00 H ATOM 1238 N ILE B 9 -5.277 15.153 -1.320 1.00 15.01 N ATOM 1239 CA ILE B 9 -3.989 15.848 -1.144 1.00 13.64 C ATOM 1240 C ILE B 9 -2.976 15.340 -2.189 1.00 16.41 C ATOM 1241 O ILE B 9 -2.770 14.125 -2.284 1.00 15.16 O ATOM 1242 CB ILE B 9 -3.448 15.688 0.311 1.00 16.34 C ATOM 1243 CG1 ILE B 9 -4.458 16.260 1.345 1.00 16.71 C ATOM 1244 CG2 ILE B 9 -2.060 16.314 0.457 1.00 16.95 C ATOM 1245 CD1 ILE B 9 -4.209 15.891 2.787 1.00 20.03 C ATOM 1246 H ILE B 9 -5.562 14.436 -0.623 1.00 0.00 H ATOM 1247 N GLN B 10 -2.369 16.255 -2.969 1.00 12.61 N ATOM 1248 CA GLN B 10 -1.404 15.898 -4.010 1.00 12.38 C ATOM 1249 C GLN B 10 0.047 15.937 -3.503 1.00 16.94 C ATOM 1250 O GLN B 10 0.483 16.915 -2.907 1.00 16.21 O ATOM 1251 CB GLN B 10 -1.629 16.770 -5.281 1.00 13.62 C ATOM 1252 CG GLN B 10 -0.590 16.698 -6.428 1.00 20.52 C ATOM 1253 CD GLN B 10 -0.211 15.330 -7.001 1.00 42.13 C ATOM 1254 OE1 GLN B 10 0.939 15.121 -7.420 1.00 41.61 O ATOM 1255 NE2 GLN B 10 -1.154 14.391 -7.112 1.00 22.79 N ATOM 1256 HE22 GLN B 10 -2.115 14.574 -6.758 1.00 0.00 H ATOM 1257 HE21 GLN B 10 -0.928 13.476 -7.552 1.00 0.00 H ATOM 1258 H GLN B 10 -2.596 17.260 -2.825 1.00 0.00 H ATOM 1259 N PHE B 11 0.768 14.819 -3.674 1.00 12.72 N ATOM 1260 CA PHE B 11 2.171 14.697 -3.311 1.00 12.12 C ATOM 1261 C PHE B 11 2.941 14.817 -4.633 1.00 16.05 C ATOM 1262 O PHE B 11 3.041 13.847 -5.391 1.00 14.97 O ATOM 1263 CB PHE B 11 2.391 13.326 -2.649 1.00 13.35 C ATOM 1264 CG PHE B 11 1.896 13.234 -1.226 1.00 14.14 C ATOM 1265 CD1 PHE B 11 0.534 13.304 -0.938 1.00 16.83 C ATOM 1266 CD2 PHE B 11 2.779 12.995 -0.183 1.00 15.30 C ATOM 1267 CE1 PHE B 11 0.071 13.151 0.377 1.00 18.24 C ATOM 1268 CE2 PHE B 11 2.316 12.824 1.120 1.00 18.31 C ATOM 1269 CZ PHE B 11 0.962 12.915 1.392 1.00 17.31 C ATOM 1270 H PHE B 11 0.296 13.991 -4.090 1.00 0.00 H ATOM 1271 N THR B 12 3.445 16.023 -4.957 1.00 13.29 N ATOM 1272 CA THR B 12 4.089 16.228 -6.262 1.00 12.34 C ATOM 1273 C THR B 12 5.443 15.478 -6.504 1.00 18.26 C ATOM 1274 O THR B 12 5.884 15.429 -7.659 1.00 18.72 O ATOM 1275 CB THR B 12 4.277 17.715 -6.579 1.00 21.65 C ATOM 1276 OG1 THR B 12 5.219 18.282 -5.663 1.00 26.46 O ATOM 1277 CG2 THR B 12 2.947 18.493 -6.638 1.00 19.62 C ATOM 1278 HG1 THR B 12 4.880 18.181 -4.738 1.00 0.00 H ATOM 1279 H THR B 12 3.378 16.811 -4.282 1.00 0.00 H ATOM 1280 N ARG B 13 6.084 14.920 -5.453 1.00 13.88 N ATOM 1281 CA ARG B 13 7.351 14.198 -5.582 1.00 13.01 C ATOM 1282 C ARG B 13 7.144 12.680 -5.601 1.00 15.11 C ATOM 1283 O ARG B 13 8.083 11.939 -5.876 1.00 14.79 O ATOM 1284 CB ARG B 13 8.321 14.548 -4.423 1.00 13.16 C ATOM 1285 CG ARG B 13 8.754 16.018 -4.375 1.00 30.05 C ATOM 1286 CD ARG B 13 10.078 16.228 -3.642 1.00 46.89 C ATOM 1287 NE ARG B 13 9.969 16.013 -2.197 1.00 61.90 N ATOM 1288 CZ ARG B 13 10.508 14.986 -1.543 1.00 82.67 C ATOM 1289 NH1 ARG B 13 11.216 14.071 -2.196 1.00 72.13 N ATOM 1290 NH2 ARG B 13 10.348 14.870 -0.231 1.00 71.85 N ATOM 1291 HE ARG B 13 9.433 16.711 -1.643 1.00 0.00 H ATOM 1292 HH12 ARG B 13 11.634 13.271 -1.679 1.00 0.00 H ATOM 1293 HH11 ARG B 13 11.352 14.155 -3.224 1.00 0.00 H ATOM 1294 HH22 ARG B 13 10.771 14.066 0.275 1.00 0.00 H ATOM 1295 HH21 ARG B 13 9.800 15.583 0.291 1.00 0.00 H ATOM 1296 H ARG B 13 5.657 15.008 -4.509 1.00 0.00 H ATOM 1297 N HIS B 14 5.932 12.213 -5.280 1.00 10.51 N ATOM 1298 CA HIS B 14 5.711 10.773 -5.147 1.00 9.87 C ATOM 1299 C HIS B 14 6.011 9.958 -6.432 1.00 12.22 C ATOM 1300 O HIS B 14 6.712 8.938 -6.349 1.00 11.78 O ATOM 1301 CB HIS B 14 4.300 10.505 -4.607 1.00 10.07 C ATOM 1302 CG HIS B 14 3.980 9.045 -4.445 1.00 12.47 C ATOM 1303 ND1 HIS B 14 4.447 8.313 -3.365 1.00 13.39 N ATOM 1304 CD2 HIS B 14 3.239 8.238 -5.231 1.00 12.22 C ATOM 1305 CE1 HIS B 14 3.974 7.087 -3.529 1.00 11.92 C ATOM 1306 NE2 HIS B 14 3.246 6.993 -4.636 1.00 11.78 N ATOM 1307 H HIS B 14 5.145 12.875 -5.125 1.00 0.00 H ATOM 1308 N ALA B 15 5.526 10.402 -7.596 1.00 10.55 N ATOM 1309 CA ALA B 15 5.757 9.632 -8.826 1.00 10.64 C ATOM 1310 C ALA B 15 7.252 9.498 -9.171 1.00 12.81 C ATOM 1311 O ALA B 15 7.707 8.390 -9.473 1.00 10.76 O ATOM 1312 CB ALA B 15 4.976 10.204 -9.994 1.00 12.22 C ATOM 1313 H ALA B 15 4.986 11.290 -7.631 1.00 0.00 H ATOM 1314 N SER B 16 8.024 10.600 -9.057 1.00 8.74 N ATOM 1315 CA SER B 16 9.473 10.532 -9.297 1.00 9.64 C ATOM 1316 C SER B 16 10.174 9.616 -8.253 1.00 11.56 C ATOM 1317 O SER B 16 11.100 8.866 -8.623 1.00 11.78 O ATOM 1318 CB SER B 16 10.081 11.931 -9.286 1.00 15.74 C ATOM 1319 OG SER B 16 9.877 12.533 -8.017 1.00 29.82 O ATOM 1320 HG SER B 16 10.273 13.440 -8.016 1.00 0.00 H ATOM 1321 H SER B 16 7.588 11.508 -8.796 1.00 0.00 H ATOM 1322 N ASP B 17 9.730 9.680 -6.958 1.00 11.13 N ATOM 1323 CA ASP B 17 10.233 8.816 -5.868 1.00 10.60 C ATOM 1324 C ASP B 17 10.012 7.319 -6.178 1.00 12.86 C ATOM 1325 O ASP B 17 10.918 6.515 -5.968 1.00 12.52 O ATOM 1326 CB ASP B 17 9.576 9.142 -4.504 1.00 12.67 C ATOM 1327 CG ASP B 17 10.073 10.400 -3.809 1.00 21.04 C ATOM 1328 OD1 ASP B 17 10.971 11.077 -4.367 1.00 19.86 O ATOM 1329 OD2 ASP B 17 9.601 10.680 -2.674 1.00 28.37 O ATOM 1330 H ASP B 17 8.995 10.379 -6.728 1.00 0.00 H ATOM 1331 N VAL B 18 8.812 6.956 -6.677 1.00 7.81 N ATOM 1332 CA VAL B 18 8.482 5.561 -7.020 1.00 6.19 C ATOM 1333 C VAL B 18 9.411 5.140 -8.191 1.00 8.87 C ATOM 1334 O VAL B 18 9.993 4.053 -8.156 1.00 8.12 O ATOM 1335 CB VAL B 18 6.970 5.389 -7.415 1.00 9.61 C ATOM 1336 CG1 VAL B 18 6.691 4.039 -8.075 1.00 9.49 C ATOM 1337 CG2 VAL B 18 6.056 5.584 -6.222 1.00 8.44 C ATOM 1338 H VAL B 18 8.091 7.690 -6.826 1.00 0.00 H ATOM 1339 N LEU B 19 9.507 5.968 -9.254 1.00 7.20 N ATOM 1340 CA LEU B 19 10.346 5.578 -10.384 1.00 6.73 C ATOM 1341 C LEU B 19 11.808 5.375 -9.960 1.00 9.21 C ATOM 1342 O LEU B 19 12.394 4.375 -10.328 1.00 9.26 O ATOM 1343 CB LEU B 19 10.228 6.579 -11.534 1.00 7.97 C ATOM 1344 CG LEU B 19 10.714 6.072 -12.847 1.00 9.65 C ATOM 1345 CD1 LEU B 19 9.857 4.875 -13.339 1.00 9.64 C ATOM 1346 CD2 LEU B 19 10.727 7.205 -13.888 1.00 12.71 C ATOM 1347 H LEU B 19 8.991 6.871 -9.268 1.00 0.00 H ATOM 1348 N LEU B 20 12.350 6.270 -9.128 1.00 8.49 N ATOM 1349 CA LEU B 20 13.723 6.131 -8.611 1.00 8.50 C ATOM 1350 C LEU B 20 13.882 4.791 -7.880 1.00 9.16 C ATOM 1351 O LEU B 20 14.845 4.069 -8.109 1.00 8.28 O ATOM 1352 CB LEU B 20 14.026 7.307 -7.671 1.00 9.69 C ATOM 1353 CG LEU B 20 15.338 7.318 -6.860 1.00 15.97 C ATOM 1354 CD1 LEU B 20 16.561 7.324 -7.749 1.00 17.68 C ATOM 1355 CD2 LEU B 20 15.363 8.543 -5.937 1.00 20.01 C ATOM 1356 H LEU B 20 11.784 7.092 -8.836 1.00 0.00 H ATOM 1357 N ASN B 21 12.888 4.435 -7.037 1.00 6.88 N ATOM 1358 CA ASN B 21 12.948 3.174 -6.290 1.00 6.18 C ATOM 1359 C ASN B 21 12.836 1.961 -7.183 1.00 9.61 C ATOM 1360 O ASN B 21 13.511 0.961 -6.939 1.00 7.32 O ATOM 1361 CB ASN B 21 11.917 3.155 -5.164 1.00 6.97 C ATOM 1362 CG ASN B 21 12.349 3.997 -3.978 1.00 18.78 C ATOM 1363 OD1 ASN B 21 13.507 4.414 -3.895 1.00 13.51 O ATOM 1364 ND2 ASN B 21 11.459 4.209 -3.001 1.00 13.13 N ATOM 1365 HD22 ASN B 21 10.488 3.847 -3.094 1.00 0.00 H ATOM 1366 HD21 ASN B 21 11.738 4.735 -2.149 1.00 0.00 H ATOM 1367 H ASN B 21 12.069 5.064 -6.916 1.00 0.00 H ATOM 1368 N LEU B 22 12.018 2.041 -8.238 1.00 6.90 N ATOM 1369 CA LEU B 22 11.936 0.928 -9.204 1.00 7.47 C ATOM 1370 C LEU B 22 13.304 0.756 -9.943 1.00 8.84 C ATOM 1371 O LEU B 22 13.711 -0.371 -10.231 1.00 8.91 O ATOM 1372 CB LEU B 22 10.781 1.196 -10.202 1.00 7.33 C ATOM 1373 CG LEU B 22 9.362 1.180 -9.624 1.00 10.76 C ATOM 1374 CD1 LEU B 22 8.336 1.590 -10.686 1.00 10.60 C ATOM 1375 CD2 LEU B 22 8.965 -0.203 -9.191 1.00 12.77 C ATOM 1376 H LEU B 22 11.437 2.892 -8.379 1.00 0.00 H ATOM 1377 N ASN B 23 14.001 1.883 -10.246 1.00 6.23 N ATOM 1378 CA ASN B 23 15.306 1.807 -10.910 1.00 6.86 C ATOM 1379 C ASN B 23 16.329 1.198 -9.963 1.00 10.64 C ATOM 1380 O ASN B 23 17.191 0.446 -10.413 1.00 10.29 O ATOM 1381 CB ASN B 23 15.795 3.175 -11.411 1.00 9.22 C ATOM 1382 CG ASN B 23 16.839 3.079 -12.521 1.00 13.25 C ATOM 1383 OD1 ASN B 23 17.007 2.050 -13.198 1.00 9.58 O ATOM 1384 ND2 ASN B 23 17.607 4.152 -12.715 1.00 11.49 N ATOM 1385 HD22 ASN B 23 17.458 5.008 -12.143 1.00 0.00 H ATOM 1386 HD21 ASN B 23 18.354 4.133 -13.438 1.00 0.00 H ATOM 1387 H ASN B 23 13.603 2.813 -10.003 1.00 0.00 H ATOM 1388 N ARG B 24 16.209 1.482 -8.642 1.00 8.17 N ATOM 1389 CA ARG B 24 17.120 0.901 -7.653 1.00 7.62 C ATOM 1390 C ARG B 24 16.875 -0.609 -7.563 1.00 10.73 C ATOM 1391 O ARG B 24 17.832 -1.369 -7.462 1.00 10.53 O ATOM 1392 CB ARG B 24 16.972 1.569 -6.289 1.00 8.22 C ATOM 1393 CG ARG B 24 17.399 3.034 -6.256 1.00 8.12 C ATOM 1394 CD ARG B 24 16.852 3.714 -5.006 1.00 11.74 C ATOM 1395 NE ARG B 24 17.625 4.909 -4.656 1.00 14.62 N ATOM 1396 CZ ARG B 24 17.228 5.842 -3.796 1.00 24.12 C ATOM 1397 NH1 ARG B 24 18.015 6.881 -3.524 1.00 16.00 N ATOM 1398 NH2 ARG B 24 16.030 5.764 -3.225 1.00 14.27 N ATOM 1399 HE ARG B 24 18.550 5.036 -5.113 1.00 0.00 H ATOM 1400 HH12 ARG B 24 17.701 7.609 -2.851 1.00 0.00 H ATOM 1401 HH11 ARG B 24 18.944 6.965 -3.985 1.00 0.00 H ATOM 1402 HH22 ARG B 24 15.725 6.497 -2.553 1.00 0.00 H ATOM 1403 HH21 ARG B 24 15.397 4.970 -3.450 1.00 0.00 H ATOM 1404 H ARG B 24 15.455 2.125 -8.325 1.00 0.00 H ATOM 1405 N LEU B 25 15.592 -1.051 -7.651 1.00 6.64 N ATOM 1406 CA LEU B 25 15.295 -2.475 -7.622 1.00 7.55 C ATOM 1407 C LEU B 25 15.873 -3.130 -8.873 1.00 9.75 C ATOM 1408 O LEU B 25 16.448 -4.209 -8.764 1.00 9.17 O ATOM 1409 CB LEU B 25 13.786 -2.750 -7.504 1.00 7.77 C ATOM 1410 CG LEU B 25 13.136 -2.397 -6.161 1.00 11.02 C ATOM 1411 CD1 LEU B 25 11.657 -2.719 -6.189 1.00 12.23 C ATOM 1412 CD2 LEU B 25 13.835 -3.084 -4.990 1.00 12.36 C ATOM 1413 H LEU B 25 14.816 -0.365 -7.740 1.00 0.00 H ATOM 1414 N ARG B 26 15.791 -2.456 -10.044 1.00 6.80 N ATOM 1415 CA ARG B 26 16.378 -2.970 -11.292 1.00 6.35 C ATOM 1416 C ARG B 26 17.905 -3.128 -11.159 1.00 9.59 C ATOM 1417 O ARG B 26 18.456 -4.149 -11.584 1.00 11.04 O ATOM 1418 CB ARG B 26 16.029 -2.084 -12.489 1.00 7.22 C ATOM 1419 CG ARG B 26 16.607 -2.606 -13.820 1.00 10.67 C ATOM 1420 CD ARG B 26 16.248 -1.808 -15.049 1.00 12.81 C ATOM 1421 NE ARG B 26 16.714 -0.417 -15.007 1.00 11.72 N ATOM 1422 CZ ARG B 26 17.556 0.120 -15.893 1.00 15.53 C ATOM 1423 NH1 ARG B 26 18.061 -0.619 -16.877 1.00 11.77 N ATOM 1424 NH2 ARG B 26 17.900 1.396 -15.801 1.00 12.60 N ATOM 1425 HE ARG B 26 16.366 0.190 -14.237 1.00 0.00 H ATOM 1426 HH12 ARG B 26 18.716 -0.193 -17.563 1.00 0.00 H ATOM 1427 HH11 ARG B 26 17.801 -1.622 -16.960 1.00 0.00 H ATOM 1428 HH22 ARG B 26 18.556 1.809 -16.494 1.00 0.00 H ATOM 1429 HH21 ARG B 26 17.514 1.985 -15.036 1.00 0.00 H ATOM 1430 H ARG B 26 15.295 -1.542 -10.063 1.00 0.00 H ATOM 1431 N SER B 27 18.579 -2.112 -10.558 1.00 7.66 N ATOM 1432 CA SER B 27 20.033 -2.142 -10.376 1.00 7.79 C ATOM 1433 C SER B 27 20.491 -3.294 -9.467 1.00 12.70 C ATOM 1434 O SER B 27 21.633 -3.756 -9.591 1.00 14.44 O ATOM 1435 CB SER B 27 20.552 -0.794 -9.885 1.00 11.57 C ATOM 1436 OG SER B 27 20.101 -0.473 -8.579 1.00 16.71 O ATOM 1437 HG SER B 27 19.112 -0.437 -8.572 1.00 0.00 H ATOM 1438 H SER B 27 18.046 -1.287 -10.216 1.00 0.00 H ATOM 1439 N ARG B 28 19.605 -3.773 -8.584 1.00 10.50 N ATOM 1440 CA ARG B 28 19.845 -4.873 -7.643 1.00 10.17 C ATOM 1441 C ARG B 28 19.262 -6.227 -8.131 1.00 14.11 C ATOM 1442 O ARG B 28 19.365 -7.248 -7.411 1.00 12.09 O ATOM 1443 CB ARG B 28 19.240 -4.509 -6.270 1.00 12.06 C ATOM 1444 CG ARG B 28 19.834 -3.229 -5.651 1.00 9.89 C ATOM 1445 CD ARG B 28 19.255 -2.870 -4.294 1.00 19.25 C ATOM 1446 NE ARG B 28 19.358 -3.936 -3.290 1.00 21.34 N ATOM 1447 CZ ARG B 28 18.787 -3.881 -2.086 1.00 30.75 C ATOM 1448 NH1 ARG B 28 18.106 -2.801 -1.714 1.00 25.43 N ATOM 1449 NH2 ARG B 28 18.913 -4.895 -1.236 1.00 20.94 N ATOM 1450 HE ARG B 28 19.909 -4.784 -3.532 1.00 0.00 H ATOM 1451 HH12 ARG B 28 17.663 -2.764 -0.774 1.00 0.00 H ATOM 1452 HH11 ARG B 28 18.017 -1.993 -2.363 1.00 0.00 H ATOM 1453 HH22 ARG B 28 18.465 -4.846 -0.298 1.00 0.00 H ATOM 1454 HH21 ARG B 28 19.459 -5.737 -1.508 1.00 0.00 H ATOM 1455 H ARG B 28 18.666 -3.327 -8.564 1.00 0.00 H ATOM 1456 N ASP B 29 18.659 -6.227 -9.350 1.00 9.13 N ATOM 1457 CA ASP B 29 18.017 -7.385 -9.984 1.00 8.37 C ATOM 1458 C ASP B 29 16.898 -7.943 -9.097 1.00 13.35 C ATOM 1459 O ASP B 29 16.655 -9.150 -9.058 1.00 15.24 O ATOM 1460 CB ASP B 29 19.032 -8.473 -10.384 1.00 11.06 C ATOM 1461 CG ASP B 29 18.483 -9.392 -11.460 1.00 19.68 C ATOM 1462 OD1 ASP B 29 17.869 -8.874 -12.438 1.00 18.85 O ATOM 1463 OD2 ASP B 29 18.656 -10.622 -11.330 1.00 28.36 O ATOM 1464 H ASP B 29 18.652 -5.331 -9.878 1.00 0.00 H ATOM 1465 N ILE B 30 16.190 -7.050 -8.393 1.00 8.66 N ATOM 1466 CA ILE B 30 15.132 -7.514 -7.521 1.00 7.99 C ATOM 1467 C ILE B 30 13.814 -7.483 -8.262 1.00 10.68 C ATOM 1468 O ILE B 30 13.367 -6.400 -8.672 1.00 8.81 O ATOM 1469 CB ILE B 30 15.070 -6.733 -6.171 1.00 10.71 C ATOM 1470 CG1 ILE B 30 16.360 -6.935 -5.317 1.00 12.24 C ATOM 1471 CG2 ILE B 30 13.794 -7.049 -5.389 1.00 8.50 C ATOM 1472 CD1 ILE B 30 16.482 -6.020 -4.103 1.00 13.99 C ATOM 1473 H ILE B 30 16.398 -6.034 -8.472 1.00 0.00 H ATOM 1474 N LEU B 31 13.181 -8.682 -8.378 1.00 10.25 N ATOM 1475 CA LEU B 31 11.859 -8.935 -8.966 1.00 11.41 C ATOM 1476 C LEU B 31 11.757 -8.596 -10.462 1.00 12.43 C ATOM 1477 O LEU B 31 10.653 -8.441 -10.992 1.00 11.62 O ATOM 1478 CB LEU B 31 10.723 -8.263 -8.153 1.00 12.67 C ATOM 1479 CG LEU B 31 10.426 -8.828 -6.741 1.00 18.34 C ATOM 1480 CD1 LEU B 31 9.537 -7.896 -5.971 1.00 19.39 C ATOM 1481 CD2 LEU B 31 9.741 -10.191 -6.805 1.00 22.02 C ATOM 1482 H LEU B 31 13.690 -9.511 -8.010 1.00 0.00 H ATOM 1483 N THR B 32 12.901 -8.542 -11.153 1.00 8.98 N ATOM 1484 CA THR B 32 12.944 -8.371 -12.599 1.00 8.83 C ATOM 1485 C THR B 32 12.436 -9.706 -13.147 1.00 13.16 C ATOM 1486 O THR B 32 12.736 -10.771 -12.598 1.00 14.00 O ATOM 1487 CB THR B 32 14.359 -8.044 -13.057 1.00 13.44 C ATOM 1488 OG1 THR B 32 15.220 -9.066 -12.564 1.00 14.90 O ATOM 1489 CG2 THR B 32 14.812 -6.663 -12.578 1.00 10.03 C ATOM 1490 HG1 THR B 32 16.150 -8.878 -12.848 1.00 0.00 H ATOM 1491 H THR B 32 13.799 -8.626 -10.635 1.00 0.00 H ATOM 1492 N ASP B 33 11.559 -9.639 -14.110 1.00 12.07 N ATOM 1493 CA ASP B 33 10.927 -10.858 -14.583 1.00 12.41 C ATOM 1494 C ASP B 33 11.079 -11.103 -16.053 1.00 14.24 C ATOM 1495 O ASP B 33 10.409 -11.991 -16.587 1.00 13.89 O ATOM 1496 CB ASP B 33 9.437 -10.854 -14.173 1.00 15.27 C ATOM 1497 CG ASP B 33 8.652 -9.596 -14.519 1.00 23.92 C ATOM 1498 OD1 ASP B 33 9.234 -8.682 -15.150 1.00 21.51 O ATOM 1499 OD2 ASP B 33 7.437 -9.538 -14.182 1.00 27.98 O ATOM 1500 H ASP B 33 11.315 -8.722 -14.535 1.00 0.00 H ATOM 1501 N VAL B 34 11.968 -10.342 -16.725 1.00 9.69 N ATOM 1502 CA VAL B 34 12.194 -10.522 -18.154 1.00 7.71 C ATOM 1503 C VAL B 34 13.617 -10.095 -18.498 1.00 12.58 C ATOM 1504 O VAL B 34 14.187 -9.202 -17.856 1.00 9.82 O ATOM 1505 CB VAL B 34 11.109 -9.760 -18.992 1.00 10.69 C ATOM 1506 CG1 VAL B 34 11.225 -8.240 -18.808 1.00 11.22 C ATOM 1507 CG2 VAL B 34 11.128 -10.142 -20.473 1.00 10.32 C ATOM 1508 H VAL B 34 12.503 -9.612 -16.213 1.00 0.00 H ATOM 1509 N VAL B 35 14.185 -10.759 -19.526 1.00 10.86 N ATOM 1510 CA VAL B 35 15.463 -10.403 -20.100 1.00 10.09 C ATOM 1511 C VAL B 35 15.166 -10.004 -21.561 1.00 12.42 C ATOM 1512 O VAL B 35 14.443 -10.726 -22.286 1.00 10.78 O ATOM 1513 CB VAL B 35 16.591 -11.467 -19.906 1.00 14.32 C ATOM 1514 CG1 VAL B 35 16.197 -12.844 -20.425 1.00 13.98 C ATOM 1515 CG2 VAL B 35 17.915 -11.008 -20.503 1.00 15.25 C ATOM 1516 H VAL B 35 13.675 -11.572 -19.928 1.00 0.00 H ATOM 1517 N ILE B 36 15.646 -8.813 -21.942 1.00 8.55 N ATOM 1518 CA ILE B 36 15.477 -8.269 -23.285 1.00 8.05 C ATOM 1519 C ILE B 36 16.788 -8.493 -24.030 1.00 11.62 C ATOM 1520 O ILE B 36 17.821 -7.955 -23.641 1.00 9.62 O ATOM 1521 CB ILE B 36 14.977 -6.785 -23.326 1.00 9.67 C ATOM 1522 CG1 ILE B 36 13.805 -6.518 -22.353 1.00 8.62 C ATOM 1523 CG2 ILE B 36 14.607 -6.371 -24.726 1.00 10.03 C ATOM 1524 CD1 ILE B 36 12.469 -7.323 -22.628 1.00 12.60 C ATOM 1525 H ILE B 36 16.167 -8.246 -21.243 1.00 0.00 H ATOM 1526 N VAL B 37 16.754 -9.349 -25.043 1.00 11.55 N ATOM 1527 CA VAL B 37 17.950 -9.699 -25.801 1.00 10.77 C ATOM 1528 C VAL B 37 18.047 -8.794 -27.014 1.00 14.40 C ATOM 1529 O VAL B 37 17.117 -8.755 -27.815 1.00 13.38 O ATOM 1530 CB VAL B 37 17.965 -11.197 -26.212 1.00 13.76 C ATOM 1531 CG1 VAL B 37 19.229 -11.522 -27.016 1.00 13.94 C ATOM 1532 CG2 VAL B 37 17.865 -12.102 -24.989 1.00 13.62 C ATOM 1533 H VAL B 37 15.846 -9.784 -25.305 1.00 0.00 H ATOM 1534 N VAL B 38 19.166 -8.057 -27.134 1.00 11.52 N ATOM 1535 CA VAL B 38 19.405 -7.109 -28.230 1.00 12.14 C ATOM 1536 C VAL B 38 20.737 -7.470 -28.868 1.00 18.45 C ATOM 1537 O VAL B 38 21.802 -7.022 -28.424 1.00 16.86 O ATOM 1538 CB VAL B 38 19.321 -5.608 -27.805 1.00 14.71 C ATOM 1539 CG1 VAL B 38 19.253 -4.705 -29.029 1.00 14.51 C ATOM 1540 CG2 VAL B 38 18.124 -5.344 -26.895 1.00 14.10 C ATOM 1541 H VAL B 38 19.904 -8.165 -26.409 1.00 0.00 H ATOM 1542 N SER B 39 20.666 -8.380 -29.852 1.00 16.47 N ATOM 1543 CA SER B 39 21.832 -8.943 -30.531 1.00 17.26 C ATOM 1544 C SER B 39 22.799 -9.613 -29.520 1.00 20.02 C ATOM 1545 O SER B 39 22.403 -10.572 -28.883 1.00 21.48 O ATOM 1546 CB SER B 39 22.497 -7.927 -31.452 1.00 21.70 C ATOM 1547 OG SER B 39 21.612 -7.586 -32.511 1.00 27.22 O ATOM 1548 HG SER B 39 20.784 -7.195 -32.135 1.00 0.00 H ATOM 1549 H SER B 39 19.724 -8.705 -30.150 1.00 0.00 H ATOM 1550 N ARG B 40 24.020 -9.091 -29.320 1.00 15.74 N ATOM 1551 CA ARG B 40 24.983 -9.736 -28.424 1.00 15.36 C ATOM 1552 C ARG B 40 24.823 -9.322 -26.963 1.00 18.98 C ATOM 1553 O ARG B 40 25.533 -9.828 -26.092 1.00 20.21 O ATOM 1554 CB ARG B 40 26.403 -9.426 -28.907 1.00 15.89 C ATOM 1555 CG ARG B 40 26.779 -10.034 -30.258 1.00 28.07 C ATOM 1556 CD ARG B 40 28.107 -9.471 -30.765 1.00 46.59 C ATOM 1557 NE ARG B 40 29.216 -9.762 -29.849 1.00 61.50 N ATOM 1558 CZ ARG B 40 30.386 -9.130 -29.841 1.00 80.19 C ATOM 1559 NH1 ARG B 40 31.323 -9.469 -28.965 1.00 67.81 N ATOM 1560 NH2 ARG B 40 30.630 -8.154 -30.709 1.00 69.96 N ATOM 1561 HE ARG B 40 29.076 -10.521 -29.152 1.00 0.00 H ATOM 1562 HH12 ARG B 40 32.237 -8.972 -28.962 1.00 0.00 H ATOM 1563 HH11 ARG B 40 31.144 -10.232 -28.281 1.00 0.00 H ATOM 1564 HH22 ARG B 40 31.547 -7.664 -30.697 1.00 0.00 H ATOM 1565 HH21 ARG B 40 29.904 -7.880 -31.401 1.00 0.00 H ATOM 1566 H ARG B 40 24.287 -8.213 -29.810 1.00 0.00 H ATOM 1567 N GLU B 41 23.903 -8.393 -26.702 1.00 14.33 N ATOM 1568 CA GLU B 41 23.687 -7.850 -25.373 1.00 13.65 C ATOM 1569 C GLU B 41 22.325 -8.229 -24.807 1.00 17.14 C ATOM 1570 O GLU B 41 21.385 -8.466 -25.566 1.00 17.23 O ATOM 1571 CB GLU B 41 23.899 -6.339 -25.414 1.00 15.03 C ATOM 1572 CG GLU B 41 25.333 -5.962 -25.749 1.00 22.53 C ATOM 1573 CD GLU B 41 25.677 -4.518 -25.455 1.00 37.29 C ATOM 1574 OE1 GLU B 41 25.470 -4.078 -24.303 1.00 23.19 O ATOM 1575 OE2 GLU B 41 26.187 -3.832 -26.368 1.00 35.54 O ATOM 1576 H GLU B 41 23.315 -8.042 -27.484 1.00 0.00 H ATOM 1577 N GLN B 42 22.226 -8.304 -23.473 1.00 12.06 N ATOM 1578 CA GLN B 42 20.992 -8.672 -22.767 1.00 12.42 C ATOM 1579 C GLN B 42 20.757 -7.707 -21.633 1.00 13.63 C ATOM 1580 O GLN B 42 21.728 -7.253 -21.029 1.00 12.91 O ATOM 1581 CB GLN B 42 21.097 -10.091 -22.189 1.00 14.62 C ATOM 1582 CG GLN B 42 21.105 -11.203 -23.236 1.00 35.92 C ATOM 1583 CD GLN B 42 21.103 -12.572 -22.596 1.00 58.13 C ATOM 1584 OE1 GLN B 42 21.259 -12.722 -21.379 1.00 52.46 O ATOM 1585 NE2 GLN B 42 20.942 -13.609 -23.408 1.00 57.08 N ATOM 1586 HE22 GLN B 42 20.813 -13.455 -24.428 1.00 0.00 H ATOM 1587 HE21 GLN B 42 20.945 -14.576 -23.024 1.00 0.00 H ATOM 1588 H GLN B 42 23.071 -8.090 -22.905 1.00 0.00 H ATOM 1589 N PHE B 43 19.475 -7.364 -21.360 1.00 8.46 N ATOM 1590 CA PHE B 43 19.102 -6.417 -20.305 1.00 9.18 C ATOM 1591 C PHE B 43 17.912 -6.908 -19.500 1.00 12.98 C ATOM 1592 O PHE B 43 16.859 -7.174 -20.083 1.00 14.44 O ATOM 1593 CB PHE B 43 18.742 -5.064 -20.927 1.00 10.02 C ATOM 1594 CG PHE B 43 19.792 -4.455 -21.825 1.00 11.14 C ATOM 1595 CD1 PHE B 43 20.783 -3.627 -21.305 1.00 14.58 C ATOM 1596 CD2 PHE B 43 19.760 -4.664 -23.200 1.00 13.27 C ATOM 1597 CE1 PHE B 43 21.738 -3.051 -22.144 1.00 15.23 C ATOM 1598 CE2 PHE B 43 20.706 -4.073 -24.038 1.00 15.32 C ATOM 1599 CZ PHE B 43 21.692 -3.273 -23.504 1.00 14.21 C ATOM 1600 H PHE B 43 18.717 -7.794 -21.928 1.00 0.00 H ATOM 1601 N ARG B 44 18.030 -6.895 -18.169 1.00 9.35 N ATOM 1602 CA ARG B 44 16.930 -7.333 -17.297 1.00 9.33 C ATOM 1603 C ARG B 44 16.035 -6.167 -16.957 1.00 12.52 C ATOM 1604 O ARG B 44 16.477 -5.013 -16.938 1.00 12.86 O ATOM 1605 CB ARG B 44 17.448 -8.061 -16.051 1.00 8.69 C ATOM 1606 CG ARG B 44 18.084 -9.409 -16.461 1.00 14.07 C ATOM 1607 CD ARG B 44 18.262 -10.403 -15.350 1.00 19.86 C ATOM 1608 NE ARG B 44 17.009 -10.640 -14.633 1.00 13.19 N ATOM 1609 CZ ARG B 44 16.112 -11.568 -14.942 1.00 21.55 C ATOM 1610 NH1 ARG B 44 16.348 -12.426 -15.929 1.00 18.91 N ATOM 1611 NH2 ARG B 44 15.001 -11.690 -14.227 1.00 17.38 N ATOM 1612 HE ARG B 44 16.805 -10.032 -13.815 1.00 0.00 H ATOM 1613 HH12 ARG B 44 15.642 -13.151 -16.167 1.00 0.00 H ATOM 1614 HH11 ARG B 44 17.239 -12.372 -16.463 1.00 0.00 H ATOM 1615 HH22 ARG B 44 14.301 -12.419 -14.474 1.00 0.00 H ATOM 1616 HH21 ARG B 44 14.830 -11.057 -13.420 1.00 0.00 H ATOM 1617 H ARG B 44 18.919 -6.568 -17.740 1.00 0.00 H ATOM 1618 N ALA B 45 14.753 -6.443 -16.751 1.00 8.60 N ATOM 1619 CA ALA B 45 13.806 -5.362 -16.477 1.00 8.37 C ATOM 1620 C ALA B 45 12.550 -5.914 -15.843 1.00 10.53 C ATOM 1621 O ALA B 45 12.408 -7.125 -15.733 1.00 9.04 O ATOM 1622 CB ALA B 45 13.455 -4.648 -17.777 1.00 9.94 C ATOM 1623 H ALA B 45 14.422 -7.428 -16.784 1.00 0.00 H ATOM 1624 N HIS B 46 11.663 -5.010 -15.400 1.00 7.75 N ATOM 1625 CA HIS B 46 10.348 -5.312 -14.860 1.00 6.36 C ATOM 1626 C HIS B 46 9.372 -5.139 -16.035 1.00 9.46 C ATOM 1627 O HIS B 46 9.302 -4.071 -16.643 1.00 9.01 O ATOM 1628 CB HIS B 46 9.975 -4.347 -13.715 1.00 6.27 C ATOM 1629 CG HIS B 46 10.935 -4.353 -12.569 1.00 7.92 C ATOM 1630 ND1 HIS B 46 11.889 -3.357 -12.419 1.00 9.15 N ATOM 1631 CD2 HIS B 46 11.068 -5.242 -11.558 1.00 10.23 C ATOM 1632 CE1 HIS B 46 12.564 -3.673 -11.323 1.00 9.72 C ATOM 1633 NE2 HIS B 46 12.100 -4.785 -10.762 1.00 9.82 N ATOM 1634 H HIS B 46 11.940 -4.009 -15.447 1.00 0.00 H ATOM 1635 N LYS B 47 8.604 -6.183 -16.347 1.00 7.23 N ATOM 1636 CA LYS B 47 7.639 -6.125 -17.450 1.00 6.19 C ATOM 1637 C LYS B 47 6.656 -4.959 -17.250 1.00 7.88 C ATOM 1638 O LYS B 47 6.326 -4.275 -18.210 1.00 9.53 O ATOM 1639 CB LYS B 47 6.839 -7.433 -17.497 1.00 7.93 C ATOM 1640 CG LYS B 47 7.616 -8.622 -17.989 1.00 10.11 C ATOM 1641 CD LYS B 47 6.639 -9.828 -18.112 1.00 11.10 C ATOM 1642 CE LYS B 47 7.289 -11.120 -17.658 1.00 25.90 C ATOM 1643 NZ LYS B 47 6.485 -12.335 -18.052 1.00 17.76 N ATOM 1644 HZ1 LYS B 47 5.541 -12.280 -17.620 1.00 0.00 H ATOM 1645 HZ2 LYS B 47 6.392 -12.367 -19.087 1.00 0.00 H ATOM 1646 HZ3 LYS B 47 6.970 -13.193 -17.720 1.00 0.00 H ATOM 1647 H LYS B 47 8.691 -7.060 -15.795 1.00 0.00 H ATOM 1648 N THR B 48 6.205 -4.728 -16.002 1.00 5.35 N ATOM 1649 CA THR B 48 5.237 -3.640 -15.719 1.00 5.48 C ATOM 1650 C THR B 48 5.797 -2.293 -16.173 1.00 8.50 C ATOM 1651 O THR B 48 5.087 -1.531 -16.825 1.00 8.78 O ATOM 1652 CB THR B 48 4.849 -3.616 -14.235 1.00 9.52 C ATOM 1653 OG1 THR B 48 6.033 -3.635 -13.429 1.00 9.69 O ATOM 1654 CG2 THR B 48 3.942 -4.808 -13.858 1.00 10.67 C ATOM 1655 HG1 THR B 48 5.780 -3.619 -12.472 1.00 0.00 H ATOM 1656 H THR B 48 6.543 -5.325 -15.220 1.00 0.00 H ATOM 1657 N VAL B 49 7.098 -2.030 -15.906 1.00 5.95 N ATOM 1658 CA VAL B 49 7.695 -0.757 -16.326 1.00 5.17 C ATOM 1659 C VAL B 49 7.779 -0.655 -17.846 1.00 9.31 C ATOM 1660 O VAL B 49 7.409 0.371 -18.424 1.00 9.06 O ATOM 1661 CB VAL B 49 9.053 -0.516 -15.625 1.00 9.63 C ATOM 1662 CG1 VAL B 49 9.757 0.709 -16.226 1.00 10.59 C ATOM 1663 CG2 VAL B 49 8.837 -0.333 -14.121 1.00 10.19 C ATOM 1664 H VAL B 49 7.676 -2.732 -15.402 1.00 0.00 H ATOM 1665 N LEU B 50 8.202 -1.738 -18.490 1.00 6.20 N ATOM 1666 CA LEU B 50 8.307 -1.811 -19.941 1.00 5.48 C ATOM 1667 C LEU B 50 6.951 -1.517 -20.577 1.00 8.18 C ATOM 1668 O LEU B 50 6.896 -0.723 -21.509 1.00 7.64 O ATOM 1669 CB LEU B 50 8.767 -3.198 -20.379 1.00 5.88 C ATOM 1670 CG LEU B 50 10.145 -3.660 -19.950 1.00 8.73 C ATOM 1671 CD1 LEU B 50 10.426 -5.016 -20.530 1.00 9.07 C ATOM 1672 CD2 LEU B 50 11.252 -2.672 -20.392 1.00 9.62 C ATOM 1673 H LEU B 50 8.471 -2.573 -17.931 1.00 0.00 H ATOM 1674 N MET B 51 5.874 -2.152 -20.060 1.00 6.12 N ATOM 1675 CA MET B 51 4.494 -1.952 -20.535 1.00 5.73 C ATOM 1676 C MET B 51 4.065 -0.496 -20.334 1.00 9.32 C ATOM 1677 O MET B 51 3.420 0.072 -21.224 1.00 10.55 O ATOM 1678 CB MET B 51 3.528 -2.883 -19.813 1.00 8.21 C ATOM 1679 CG MET B 51 3.704 -4.337 -20.138 1.00 11.62 C ATOM 1680 SD MET B 51 2.573 -5.296 -19.097 1.00 15.00 S ATOM 1681 CE MET B 51 1.147 -5.181 -19.975 1.00 12.31 C ATOM 1682 H MET B 51 6.030 -2.822 -19.280 1.00 0.00 H ATOM 1683 N ALA B 52 4.373 0.084 -19.146 1.00 5.97 N ATOM 1684 CA ALA B 52 4.031 1.470 -18.799 1.00 6.54 C ATOM 1685 C ALA B 52 4.664 2.522 -19.701 1.00 11.00 C ATOM 1686 O ALA B 52 4.204 3.675 -19.683 1.00 10.70 O ATOM 1687 CB ALA B 52 4.398 1.759 -17.351 1.00 7.55 C ATOM 1688 H ALA B 52 4.881 -0.486 -18.440 1.00 0.00 H ATOM 1689 N CYS B 53 5.722 2.157 -20.455 1.00 9.74 N ATOM 1690 CA CYS B 53 6.466 3.114 -21.289 1.00 10.31 C ATOM 1691 C CYS B 53 6.429 2.891 -22.776 1.00 14.02 C ATOM 1692 O CYS B 53 6.771 3.811 -23.509 1.00 14.96 O ATOM 1693 CB CYS B 53 7.916 3.133 -20.834 1.00 9.98 C ATOM 1694 SG CYS B 53 8.162 3.568 -19.102 1.00 13.46 S ATOM 1695 H CYS B 53 6.023 1.162 -20.446 1.00 0.00 H ATOM 1696 N SER B 54 6.171 1.654 -23.225 1.00 10.53 N ATOM 1697 CA SER B 54 6.342 1.245 -24.621 1.00 8.62 C ATOM 1698 C SER B 54 5.103 0.576 -25.212 1.00 11.66 C ATOM 1699 O SER B 54 4.628 -0.416 -24.673 1.00 11.26 O ATOM 1700 CB SER B 54 7.518 0.259 -24.681 1.00 10.49 C ATOM 1701 OG SER B 54 7.654 -0.494 -25.888 1.00 7.61 O ATOM 1702 HG SER B 54 7.779 0.126 -26.650 1.00 0.00 H ATOM 1703 H SER B 54 5.830 0.946 -22.544 1.00 0.00 H ATOM 1704 N GLY B 55 4.645 1.085 -26.345 1.00 9.56 N ATOM 1705 CA GLY B 55 3.521 0.493 -27.074 1.00 9.33 C ATOM 1706 C GLY B 55 3.804 -0.937 -27.492 1.00 13.98 C ATOM 1707 O GLY B 55 2.917 -1.792 -27.402 1.00 14.61 O ATOM 1708 H GLY B 55 5.100 1.937 -26.732 1.00 0.00 H ATOM 1709 N LEU B 56 5.084 -1.225 -27.828 1.00 9.80 N ATOM 1710 CA LEU B 56 5.549 -2.564 -28.234 1.00 9.68 C ATOM 1711 C LEU B 56 5.368 -3.546 -27.095 1.00 13.09 C ATOM 1712 O LEU B 56 4.657 -4.545 -27.244 1.00 13.99 O ATOM 1713 CB LEU B 56 7.037 -2.549 -28.708 1.00 11.04 C ATOM 1714 CG LEU B 56 7.583 -3.929 -29.164 1.00 16.22 C ATOM 1715 CD1 LEU B 56 6.957 -4.377 -30.506 1.00 17.38 C ATOM 1716 CD2 LEU B 56 9.091 -3.921 -29.281 1.00 21.36 C ATOM 1717 H LEU B 56 5.782 -0.454 -27.798 1.00 0.00 H ATOM 1718 N PHE B 57 5.987 -3.249 -25.936 1.00 7.92 N ATOM 1719 CA PHE B 57 5.921 -4.096 -24.747 1.00 6.70 C ATOM 1720 C PHE B 57 4.520 -4.191 -24.176 1.00 10.10 C ATOM 1721 O PHE B 57 4.138 -5.261 -23.733 1.00 9.35 O ATOM 1722 CB PHE B 57 6.944 -3.668 -23.703 1.00 7.73 C ATOM 1723 CG PHE B 57 8.354 -3.934 -24.165 1.00 8.75 C ATOM 1724 CD1 PHE B 57 8.760 -5.213 -24.511 1.00 11.48 C ATOM 1725 CD2 PHE B 57 9.305 -2.917 -24.176 1.00 9.98 C ATOM 1726 CE1 PHE B 57 10.095 -5.476 -24.852 1.00 11.64 C ATOM 1727 CE2 PHE B 57 10.628 -3.179 -24.543 1.00 11.54 C ATOM 1728 CZ PHE B 57 11.013 -4.465 -24.865 1.00 9.29 C ATOM 1729 H PHE B 57 6.541 -2.370 -25.885 1.00 0.00 H ATOM 1730 N TYR B 58 3.728 -3.112 -24.273 1.00 8.67 N ATOM 1731 CA TYR B 58 2.333 -3.141 -23.849 1.00 8.72 C ATOM 1732 C TYR B 58 1.558 -4.122 -24.730 1.00 12.32 C ATOM 1733 O TYR B 58 0.790 -4.917 -24.200 1.00 12.53 O ATOM 1734 CB TYR B 58 1.722 -1.751 -23.931 1.00 9.54 C ATOM 1735 CG TYR B 58 0.233 -1.703 -23.700 1.00 10.54 C ATOM 1736 CD1 TYR B 58 -0.289 -1.633 -22.412 1.00 12.51 C ATOM 1737 CD2 TYR B 58 -0.653 -1.643 -24.770 1.00 11.79 C ATOM 1738 CE1 TYR B 58 -1.662 -1.556 -22.190 1.00 13.70 C ATOM 1739 CE2 TYR B 58 -2.029 -1.578 -24.565 1.00 12.53 C ATOM 1740 CZ TYR B 58 -2.529 -1.539 -23.269 1.00 19.59 C ATOM 1741 OH TYR B 58 -3.882 -1.477 -23.043 1.00 23.34 O ATOM 1742 HH TYR B 58 -4.248 -0.657 -23.460 1.00 0.00 H ATOM 1743 H TYR B 58 4.120 -2.230 -24.661 1.00 0.00 H ATOM 1744 N SER B 59 1.743 -4.050 -26.084 1.00 9.51 N ATOM 1745 CA SER B 59 1.026 -4.943 -27.017 1.00 10.80 C ATOM 1746 C SER B 59 1.442 -6.402 -26.869 1.00 15.15 C ATOM 1747 O SER B 59 0.646 -7.288 -27.182 1.00 14.70 O ATOM 1748 CB SER B 59 1.204 -4.469 -28.448 1.00 14.43 C ATOM 1749 OG SER B 59 0.423 -3.306 -28.657 1.00 22.19 O ATOM 1750 HG SER B 59 0.717 -2.596 -28.033 1.00 0.00 H ATOM 1751 H SER B 59 2.407 -3.347 -26.467 1.00 0.00 H ATOM 1752 N ILE B 60 2.679 -6.664 -26.398 1.00 10.88 N ATOM 1753 CA ILE B 60 3.131 -8.039 -26.166 1.00 10.49 C ATOM 1754 C ILE B 60 2.478 -8.579 -24.886 1.00 16.33 C ATOM 1755 O ILE B 60 1.693 -9.535 -24.966 1.00 17.40 O ATOM 1756 CB ILE B 60 4.699 -8.146 -26.086 1.00 14.18 C ATOM 1757 CG1 ILE B 60 5.354 -7.877 -27.456 1.00 14.84 C ATOM 1758 CG2 ILE B 60 5.162 -9.516 -25.478 1.00 14.19 C ATOM 1759 CD1 ILE B 60 6.907 -7.649 -27.432 1.00 19.40 C ATOM 1760 H ILE B 60 3.325 -5.874 -26.195 1.00 0.00 H ATOM 1761 N PHE B 61 2.788 -7.977 -23.708 1.00 12.81 N ATOM 1762 CA PHE B 61 2.378 -8.518 -22.411 1.00 12.38 C ATOM 1763 C PHE B 61 0.871 -8.357 -22.038 1.00 17.13 C ATOM 1764 O PHE B 61 0.443 -9.046 -21.113 1.00 18.41 O ATOM 1765 CB PHE B 61 3.295 -8.015 -21.274 1.00 13.82 C ATOM 1766 CG PHE B 61 4.771 -8.295 -21.513 1.00 15.18 C ATOM 1767 CD1 PHE B 61 5.256 -9.602 -21.551 1.00 17.65 C ATOM 1768 CD2 PHE B 61 5.670 -7.252 -21.715 1.00 15.51 C ATOM 1769 CE1 PHE B 61 6.610 -9.857 -21.813 1.00 17.47 C ATOM 1770 CE2 PHE B 61 7.029 -7.509 -21.945 1.00 16.38 C ATOM 1771 CZ PHE B 61 7.486 -8.806 -22.013 1.00 15.90 C ATOM 1772 H PHE B 61 3.339 -7.095 -23.729 1.00 0.00 H ATOM 1773 N THR B 62 0.057 -7.535 -22.756 1.00 14.45 N ATOM 1774 CA THR B 62 -1.387 -7.502 -22.444 1.00 14.81 C ATOM 1775 C THR B 62 -2.083 -8.719 -23.050 1.00 19.56 C ATOM 1776 O THR B 62 -3.240 -9.005 -22.703 1.00 19.41 O ATOM 1777 CB THR B 62 -2.096 -6.246 -22.945 1.00 19.07 C ATOM 1778 OG1 THR B 62 -1.768 -6.010 -24.310 1.00 19.07 O ATOM 1779 CG2 THR B 62 -1.854 -5.042 -22.075 1.00 18.64 C ATOM 1780 HG1 THR B 62 -0.789 -5.888 -24.397 1.00 0.00 H ATOM 1781 H THR B 62 0.446 -6.938 -23.514 1.00 0.00 H ATOM 1782 N ASP B 63 -1.397 -9.402 -23.984 1.00 15.16 N ATOM 1783 CA ASP B 63 -1.907 -10.599 -24.645 1.00 15.08 C ATOM 1784 C ASP B 63 -1.659 -11.749 -23.683 1.00 17.95 C ATOM 1785 O ASP B 63 -0.497 -12.068 -23.384 1.00 16.19 O ATOM 1786 CB ASP B 63 -1.161 -10.827 -25.969 1.00 16.16 C ATOM 1787 CG ASP B 63 -1.734 -11.914 -26.873 1.00 22.83 C ATOM 1788 OD1 ASP B 63 -2.528 -12.764 -26.369 1.00 22.36 O ATOM 1789 OD2 ASP B 63 -1.410 -11.906 -28.077 1.00 23.88 O ATOM 1790 H ASP B 63 -0.452 -9.058 -24.249 1.00 0.00 H ATOM 1791 N GLN B 64 -2.750 -12.406 -23.230 1.00 14.45 N ATOM 1792 CA GLN B 64 -2.626 -13.516 -22.285 1.00 14.88 C ATOM 1793 C GLN B 64 -1.716 -14.640 -22.835 1.00 19.98 C ATOM 1794 O GLN B 64 -1.064 -15.321 -22.056 1.00 22.80 O ATOM 1795 CB GLN B 64 -4.005 -14.014 -21.829 1.00 16.53 C ATOM 1796 CG GLN B 64 -4.038 -14.460 -20.356 1.00 31.86 C ATOM 1797 CD GLN B 64 -3.612 -15.901 -20.186 1.00 49.76 C ATOM 1798 OE1 GLN B 64 -3.631 -16.694 -21.133 1.00 45.50 O ATOM 1799 NE2 GLN B 64 -3.229 -16.280 -18.973 1.00 39.75 N ATOM 1800 HE22 GLN B 64 -3.222 -15.593 -18.192 1.00 0.00 H ATOM 1801 HE21 GLN B 64 -2.936 -17.263 -18.804 1.00 0.00 H ATOM 1802 H GLN B 64 -3.694 -12.118 -23.559 1.00 0.00 H ATOM 1803 N LEU B 65 -1.574 -14.724 -24.169 1.00 15.61 N ATOM 1804 CA LEU B 65 -0.724 -15.684 -24.897 1.00 14.80 C ATOM 1805 C LEU B 65 0.749 -15.419 -24.604 1.00 16.98 C ATOM 1806 O LEU B 65 1.526 -16.370 -24.470 1.00 16.08 O ATOM 1807 CB LEU B 65 -0.949 -15.555 -26.417 1.00 15.20 C ATOM 1808 CG LEU B 65 -0.055 -16.395 -27.372 1.00 20.74 C ATOM 1809 CD1 LEU B 65 -0.799 -17.618 -27.850 1.00 20.31 C ATOM 1810 CD2 LEU B 65 0.415 -15.580 -28.587 1.00 24.78 C ATOM 1811 H LEU B 65 -2.116 -14.047 -24.743 1.00 0.00 H ATOM 1812 N LYS B 66 1.133 -14.132 -24.512 1.00 11.50 N ATOM 1813 CA LYS B 66 2.534 -13.734 -24.336 1.00 12.20 C ATOM 1814 C LYS B 66 2.889 -13.218 -22.933 1.00 17.04 C ATOM 1815 O LYS B 66 4.072 -13.025 -22.625 1.00 14.97 O ATOM 1816 CB LYS B 66 2.940 -12.696 -25.398 1.00 15.01 C ATOM 1817 CG LYS B 66 2.711 -13.126 -26.847 1.00 19.76 C ATOM 1818 CD LYS B 66 2.836 -11.939 -27.798 1.00 30.24 C ATOM 1819 CE LYS B 66 2.849 -12.369 -29.247 1.00 45.29 C ATOM 1820 NZ LYS B 66 3.067 -11.209 -30.153 1.00 52.97 N ATOM 1821 HZ1 LYS B 66 2.302 -10.518 -30.019 1.00 0.00 H ATOM 1822 HZ2 LYS B 66 3.980 -10.764 -29.931 1.00 0.00 H ATOM 1823 HZ3 LYS B 66 3.071 -11.537 -31.140 1.00 0.00 H ATOM 1824 H LYS B 66 0.407 -13.390 -24.568 1.00 0.00 H ATOM 1825 N ARG B 67 1.875 -13.023 -22.084 1.00 16.49 N ATOM 1826 CA ARG B 67 1.980 -12.515 -20.718 1.00 16.60 C ATOM 1827 C ARG B 67 3.187 -13.078 -19.941 1.00 16.64 C ATOM 1828 O ARG B 67 3.877 -12.321 -19.262 1.00 16.33 O ATOM 1829 CB ARG B 67 0.661 -12.848 -19.978 1.00 18.52 C ATOM 1830 CG ARG B 67 0.525 -12.387 -18.516 1.00 24.67 C ATOM 1831 CD ARG B 67 0.089 -10.943 -18.299 1.00 26.24 C ATOM 1832 NE ARG B 67 -0.972 -10.461 -19.194 1.00 14.79 N ATOM 1833 CZ ARG B 67 -2.267 -10.398 -18.894 1.00 20.70 C ATOM 1834 NH1 ARG B 67 -2.707 -10.832 -17.715 1.00 16.66 N ATOM 1835 NH2 ARG B 67 -3.131 -9.896 -19.765 1.00 13.05 N ATOM 1836 HE ARG B 67 -0.687 -10.142 -20.142 1.00 0.00 H ATOM 1837 HH12 ARG B 67 -3.720 -10.780 -17.487 1.00 0.00 H ATOM 1838 HH11 ARG B 67 -2.037 -11.223 -17.022 1.00 0.00 H ATOM 1839 HH22 ARG B 67 -4.142 -9.849 -19.526 1.00 0.00 H ATOM 1840 HH21 ARG B 67 -2.798 -9.549 -20.687 1.00 0.00 H ATOM 1841 H ARG B 67 0.921 -13.255 -22.428 1.00 0.00 H ATOM 1842 N ASN B 68 3.418 -14.401 -20.031 1.00 13.07 N ATOM 1843 CA ASN B 68 4.400 -15.114 -19.218 1.00 12.99 C ATOM 1844 C ASN B 68 5.765 -15.328 -19.878 1.00 17.59 C ATOM 1845 O ASN B 68 6.593 -16.056 -19.314 1.00 17.75 O ATOM 1846 CB ASN B 68 3.796 -16.441 -18.733 1.00 14.26 C ATOM 1847 CG ASN B 68 2.687 -16.228 -17.730 1.00 34.77 C ATOM 1848 OD1 ASN B 68 1.525 -16.575 -17.958 1.00 35.95 O ATOM 1849 ND2 ASN B 68 3.000 -15.578 -16.626 1.00 20.61 N ATOM 1850 HD22 ASN B 68 3.985 -15.294 -16.451 1.00 0.00 H ATOM 1851 HD21 ASN B 68 2.262 -15.350 -15.930 1.00 0.00 H ATOM 1852 H ASN B 68 2.864 -14.948 -20.721 1.00 0.00 H ATOM 1853 N LEU B 69 6.047 -14.654 -21.013 1.00 13.83 N ATOM 1854 CA LEU B 69 7.374 -14.775 -21.642 1.00 13.00 C ATOM 1855 C LEU B 69 8.461 -14.199 -20.703 1.00 17.52 C ATOM 1856 O LEU B 69 8.263 -13.148 -20.086 1.00 18.17 O ATOM 1857 CB LEU B 69 7.418 -14.104 -23.017 1.00 13.39 C ATOM 1858 CG LEU B 69 6.608 -14.801 -24.133 1.00 18.00 C ATOM 1859 CD1 LEU B 69 6.348 -13.869 -25.267 1.00 19.31 C ATOM 1860 CD2 LEU B 69 7.323 -16.048 -24.654 1.00 20.22 C ATOM 1861 H LEU B 69 5.323 -14.046 -21.446 1.00 0.00 H ATOM 1862 N SER B 70 9.569 -14.921 -20.557 1.00 12.65 N ATOM 1863 CA SER B 70 10.691 -14.509 -19.703 1.00 12.08 C ATOM 1864 C SER B 70 11.828 -13.924 -20.537 1.00 13.40 C ATOM 1865 O SER B 70 12.768 -13.331 -19.980 1.00 13.11 O ATOM 1866 CB SER B 70 11.202 -15.706 -18.905 1.00 17.69 C ATOM 1867 OG SER B 70 11.650 -16.729 -19.780 1.00 28.51 O ATOM 1868 HG SER B 70 10.900 -17.021 -20.356 1.00 0.00 H ATOM 1869 H SER B 70 9.644 -15.821 -21.073 1.00 0.00 H ATOM 1870 N VAL B 71 11.763 -14.115 -21.872 1.00 9.99 N ATOM 1871 CA VAL B 71 12.788 -13.666 -22.820 1.00 12.28 C ATOM 1872 C VAL B 71 12.133 -13.011 -24.005 1.00 16.55 C ATOM 1873 O VAL B 71 11.254 -13.609 -24.628 1.00 17.09 O ATOM 1874 CB VAL B 71 13.742 -14.830 -23.292 1.00 17.61 C ATOM 1875 CG1 VAL B 71 14.826 -14.323 -24.239 1.00 17.47 C ATOM 1876 CG2 VAL B 71 14.379 -15.576 -22.116 1.00 17.54 C ATOM 1877 H VAL B 71 10.933 -14.612 -22.253 1.00 0.00 H ATOM 1878 N ILE B 72 12.556 -11.784 -24.325 1.00 11.12 N ATOM 1879 CA ILE B 72 12.099 -11.086 -25.520 1.00 12.00 C ATOM 1880 C ILE B 72 13.322 -10.818 -26.376 1.00 17.24 C ATOM 1881 O ILE B 72 14.262 -10.177 -25.899 1.00 15.74 O ATOM 1882 CB ILE B 72 11.270 -9.788 -25.237 1.00 14.86 C ATOM 1883 CG1 ILE B 72 10.041 -10.065 -24.333 1.00 15.19 C ATOM 1884 CG2 ILE B 72 10.848 -9.082 -26.544 1.00 16.19 C ATOM 1885 CD1 ILE B 72 9.060 -11.189 -24.801 1.00 19.33 C ATOM 1886 H ILE B 72 13.237 -11.310 -23.698 1.00 0.00 H ATOM 1887 N ASN B 73 13.330 -11.335 -27.616 1.00 13.78 N ATOM 1888 CA ASN B 73 14.405 -11.094 -28.591 1.00 12.66 C ATOM 1889 C ASN B 73 13.960 -9.957 -29.493 1.00 16.10 C ATOM 1890 O ASN B 73 12.962 -10.096 -30.211 1.00 16.50 O ATOM 1891 CB ASN B 73 14.696 -12.329 -29.440 1.00 13.87 C ATOM 1892 CG ASN B 73 15.184 -13.502 -28.641 1.00 31.64 C ATOM 1893 OD1 ASN B 73 16.329 -13.529 -28.198 1.00 26.62 O ATOM 1894 ND2 ASN B 73 14.315 -14.489 -28.430 1.00 24.63 N ATOM 1895 HD22 ASN B 73 13.354 -14.428 -28.823 1.00 0.00 H ATOM 1896 HD21 ASN B 73 14.598 -15.320 -27.873 1.00 0.00 H ATOM 1897 H ASN B 73 12.533 -11.938 -27.902 1.00 0.00 H ATOM 1898 N LEU B 74 14.636 -8.798 -29.397 1.00 10.95 N ATOM 1899 CA LEU B 74 14.275 -7.666 -30.242 1.00 10.75 C ATOM 1900 C LEU B 74 14.750 -7.883 -31.688 1.00 14.41 C ATOM 1901 O LEU B 74 15.648 -8.698 -31.957 1.00 11.64 O ATOM 1902 CB LEU B 74 14.829 -6.325 -29.720 1.00 10.73 C ATOM 1903 CG LEU B 74 14.376 -5.891 -28.347 1.00 14.56 C ATOM 1904 CD1 LEU B 74 14.856 -4.480 -28.035 1.00 14.28 C ATOM 1905 CD2 LEU B 74 12.836 -6.038 -28.157 1.00 13.72 C ATOM 1906 H LEU B 74 15.419 -8.709 -28.718 1.00 0.00 H ATOM 1907 N ASP B 75 14.158 -7.130 -32.596 1.00 13.25 N ATOM 1908 CA ASP B 75 14.531 -7.123 -34.011 1.00 14.02 C ATOM 1909 C ASP B 75 16.083 -7.050 -34.145 1.00 20.57 C ATOM 1910 O ASP B 75 16.710 -6.273 -33.391 1.00 20.15 O ATOM 1911 CB ASP B 75 13.878 -5.896 -34.667 1.00 16.26 C ATOM 1912 CG ASP B 75 14.208 -5.650 -36.120 1.00 29.49 C ATOM 1913 OD1 ASP B 75 14.313 -6.633 -36.879 1.00 33.18 O ATOM 1914 OD2 ASP B 75 14.240 -4.471 -36.523 1.00 29.88 O ATOM 1915 H ASP B 75 13.384 -6.507 -32.289 1.00 0.00 H ATOM 1916 N PRO B 76 16.715 -7.905 -35.005 1.00 18.93 N ATOM 1917 CA PRO B 76 18.194 -7.914 -35.117 1.00 18.98 C ATOM 1918 C PRO B 76 18.863 -6.583 -35.471 1.00 23.37 C ATOM 1919 O PRO B 76 20.050 -6.385 -35.190 1.00 22.59 O ATOM 1920 CB PRO B 76 18.470 -8.957 -36.206 1.00 21.31 C ATOM 1921 CG PRO B 76 17.265 -9.795 -36.274 1.00 25.61 C ATOM 1922 CD PRO B 76 16.110 -8.921 -35.898 1.00 21.32 C ATOM 1923 N GLU B 77 18.113 -5.694 -36.109 1.00 19.79 N ATOM 1924 CA GLU B 77 18.565 -4.367 -36.538 1.00 19.68 C ATOM 1925 C GLU B 77 18.661 -3.345 -35.388 1.00 22.13 C ATOM 1926 O GLU B 77 19.337 -2.312 -35.523 1.00 22.37 O ATOM 1927 CB GLU B 77 17.665 -3.839 -37.665 1.00 21.21 C ATOM 1928 CG GLU B 77 17.897 -4.518 -39.008 1.00 26.49 C ATOM 1929 CD GLU B 77 19.315 -4.446 -39.543 1.00 44.23 C ATOM 1930 OE1 GLU B 77 19.870 -5.519 -39.866 1.00 28.50 O ATOM 1931 OE2 GLU B 77 19.883 -3.330 -39.610 1.00 41.24 O ATOM 1932 H GLU B 77 17.130 -5.958 -36.321 1.00 0.00 H ATOM 1933 N ILE B 78 17.983 -3.617 -34.273 1.00 17.68 N ATOM 1934 CA ILE B 78 18.038 -2.722 -33.113 1.00 16.42 C ATOM 1935 C ILE B 78 19.458 -2.696 -32.528 1.00 18.88 C ATOM 1936 O ILE B 78 20.084 -3.737 -32.347 1.00 19.65 O ATOM 1937 CB ILE B 78 16.930 -3.074 -32.078 1.00 19.41 C ATOM 1938 CG1 ILE B 78 15.533 -3.018 -32.727 1.00 20.32 C ATOM 1939 CG2 ILE B 78 17.011 -2.219 -30.794 1.00 19.25 C ATOM 1940 CD1 ILE B 78 15.117 -1.670 -33.467 1.00 29.19 C ATOM 1941 H ILE B 78 17.404 -4.480 -34.225 1.00 0.00 H ATOM 1942 N ASN B 79 19.958 -1.492 -32.283 1.00 14.73 N ATOM 1943 CA ASN B 79 21.267 -1.232 -31.707 1.00 14.15 C ATOM 1944 C ASN B 79 21.174 -1.377 -30.163 1.00 16.82 C ATOM 1945 O ASN B 79 20.357 -0.680 -29.558 1.00 15.53 O ATOM 1946 CB ASN B 79 21.668 0.191 -32.100 1.00 15.40 C ATOM 1947 CG ASN B 79 22.891 0.722 -31.415 1.00 33.47 C ATOM 1948 OD1 ASN B 79 22.807 1.645 -30.603 1.00 26.31 O ATOM 1949 ND2 ASN B 79 24.051 0.162 -31.738 1.00 26.33 N ATOM 1950 HD22 ASN B 79 24.079 -0.615 -32.428 1.00 0.00 H ATOM 1951 HD21 ASN B 79 24.932 0.501 -31.301 1.00 0.00 H ATOM 1952 H ASN B 79 19.367 -0.670 -32.522 1.00 0.00 H ATOM 1953 N PRO B 80 21.998 -2.246 -29.515 1.00 16.02 N ATOM 1954 CA PRO B 80 21.902 -2.405 -28.049 1.00 15.24 C ATOM 1955 C PRO B 80 22.064 -1.116 -27.229 1.00 18.10 C ATOM 1956 O PRO B 80 21.377 -0.955 -26.207 1.00 16.39 O ATOM 1957 CB PRO B 80 22.978 -3.450 -27.710 1.00 17.68 C ATOM 1958 CG PRO B 80 23.822 -3.588 -28.907 1.00 22.08 C ATOM 1959 CD PRO B 80 23.001 -3.171 -30.094 1.00 17.99 C ATOM 1960 N GLU B 81 22.936 -0.196 -27.683 1.00 14.60 N ATOM 1961 CA GLU B 81 23.194 1.099 -27.020 1.00 14.66 C ATOM 1962 C GLU B 81 21.961 1.988 -27.087 1.00 16.45 C ATOM 1963 O GLU B 81 21.578 2.588 -26.082 1.00 15.76 O ATOM 1964 CB GLU B 81 24.383 1.835 -27.674 1.00 16.18 C ATOM 1965 CG GLU B 81 25.722 1.154 -27.466 1.00 31.59 C ATOM 1966 CD GLU B 81 26.173 0.351 -28.667 1.00 58.82 C ATOM 1967 OE1 GLU B 81 27.013 0.865 -29.441 1.00 61.60 O ATOM 1968 OE2 GLU B 81 25.660 -0.776 -28.856 1.00 47.00 O ATOM 1969 H GLU B 81 23.461 -0.410 -28.555 1.00 0.00 H ATOM 1970 N GLY B 82 21.312 1.998 -28.249 1.00 11.28 N ATOM 1971 CA GLY B 82 20.103 2.770 -28.458 1.00 10.96 C ATOM 1972 C GLY B 82 19.013 2.235 -27.554 1.00 13.98 C ATOM 1973 O GLY B 82 18.306 3.012 -26.904 1.00 12.73 O ATOM 1974 H GLY B 82 21.686 1.431 -29.036 1.00 0.00 H ATOM 1975 N PHE B 83 18.920 0.880 -27.441 1.00 11.32 N ATOM 1976 CA PHE B 83 17.905 0.291 -26.556 1.00 10.66 C ATOM 1977 C PHE B 83 18.190 0.664 -25.100 1.00 13.83 C ATOM 1978 O PHE B 83 17.277 1.096 -24.395 1.00 12.63 O ATOM 1979 CB PHE B 83 17.809 -1.237 -26.713 1.00 11.54 C ATOM 1980 CG PHE B 83 16.878 -1.842 -25.679 1.00 11.68 C ATOM 1981 CD1 PHE B 83 15.497 -1.779 -25.839 1.00 12.70 C ATOM 1982 CD2 PHE B 83 17.381 -2.437 -24.527 1.00 11.03 C ATOM 1983 CE1 PHE B 83 14.644 -2.280 -24.856 1.00 13.17 C ATOM 1984 CE2 PHE B 83 16.523 -2.965 -23.552 1.00 13.63 C ATOM 1985 CZ PHE B 83 15.163 -2.883 -23.722 1.00 12.31 C ATOM 1986 H PHE B 83 19.564 0.266 -27.979 1.00 0.00 H ATOM 1987 N ASN B 84 19.460 0.523 -24.660 1.00 11.63 N ATOM 1988 CA ASN B 84 19.860 0.833 -23.283 1.00 10.95 C ATOM 1989 C ASN B 84 19.585 2.294 -22.869 1.00 13.03 C ATOM 1990 O ASN B 84 19.206 2.552 -21.722 1.00 11.19 O ATOM 1991 CB ASN B 84 21.325 0.463 -23.050 1.00 16.23 C ATOM 1992 CG ASN B 84 21.701 0.313 -21.600 1.00 34.56 C ATOM 1993 OD1 ASN B 84 20.893 -0.111 -20.760 1.00 34.75 O ATOM 1994 ND2 ASN B 84 22.963 0.555 -21.294 1.00 24.62 N ATOM 1995 HD22 ASN B 84 23.616 0.910 -22.022 1.00 0.00 H ATOM 1996 HD21 ASN B 84 23.304 0.390 -20.325 1.00 0.00 H ATOM 1997 H ASN B 84 20.183 0.181 -25.325 1.00 0.00 H ATOM 1998 N ILE B 85 19.739 3.245 -23.811 1.00 10.09 N ATOM 1999 CA ILE B 85 19.464 4.665 -23.536 1.00 10.85 C ATOM 2000 C ILE B 85 17.940 4.833 -23.263 1.00 12.48 C ATOM 2001 O ILE B 85 17.516 5.613 -22.396 1.00 12.16 O ATOM 2002 CB ILE B 85 19.990 5.506 -24.754 1.00 14.25 C ATOM 2003 CG1 ILE B 85 21.515 5.681 -24.639 1.00 15.40 C ATOM 2004 CG2 ILE B 85 19.283 6.875 -24.912 1.00 15.57 C ATOM 2005 CD1 ILE B 85 22.254 5.913 -25.978 1.00 23.17 C ATOM 2006 H ILE B 85 20.062 2.968 -24.760 1.00 0.00 H ATOM 2007 N LEU B 86 17.142 4.080 -24.029 1.00 9.36 N ATOM 2008 CA LEU B 86 15.689 4.101 -23.921 1.00 8.54 C ATOM 2009 C LEU B 86 15.200 3.386 -22.674 1.00 9.78 C ATOM 2010 O LEU B 86 14.291 3.883 -22.020 1.00 7.35 O ATOM 2011 CB LEU B 86 15.041 3.585 -25.182 1.00 8.97 C ATOM 2012 CG LEU B 86 15.135 4.626 -26.296 1.00 14.32 C ATOM 2013 CD1 LEU B 86 14.656 4.078 -27.587 1.00 15.75 C ATOM 2014 CD2 LEU B 86 14.322 5.878 -25.958 1.00 17.95 C ATOM 2015 H LEU B 86 17.579 3.451 -24.733 1.00 0.00 H ATOM 2016 N LEU B 87 15.865 2.273 -22.299 1.00 8.21 N ATOM 2017 CA LEU B 87 15.567 1.568 -21.078 1.00 7.42 C ATOM 2018 C LEU B 87 15.904 2.478 -19.897 1.00 11.09 C ATOM 2019 O LEU B 87 15.086 2.601 -18.981 1.00 10.74 O ATOM 2020 CB LEU B 87 16.348 0.250 -21.003 1.00 6.96 C ATOM 2021 CG LEU B 87 16.044 -0.663 -19.822 1.00 10.67 C ATOM 2022 CD1 LEU B 87 14.616 -1.220 -19.898 1.00 9.54 C ATOM 2023 CD2 LEU B 87 17.008 -1.792 -19.765 1.00 12.53 C ATOM 2024 H LEU B 87 16.621 1.911 -22.914 1.00 0.00 H ATOM 2025 N ASP B 88 17.080 3.148 -19.931 1.00 9.08 N ATOM 2026 CA ASP B 88 17.425 4.130 -18.882 1.00 9.58 C ATOM 2027 C ASP B 88 16.391 5.237 -18.811 1.00 11.87 C ATOM 2028 O ASP B 88 15.967 5.596 -17.715 1.00 12.01 O ATOM 2029 CB ASP B 88 18.830 4.724 -19.088 1.00 12.51 C ATOM 2030 CG ASP B 88 19.955 3.768 -18.734 1.00 29.88 C ATOM 2031 OD1 ASP B 88 19.824 3.040 -17.722 1.00 34.53 O ATOM 2032 OD2 ASP B 88 20.990 3.788 -19.430 1.00 37.43 O ATOM 2033 H ASP B 88 17.750 2.969 -20.706 1.00 0.00 H ATOM 2034 N PHE B 89 15.910 5.713 -19.973 1.00 8.13 N ATOM 2035 CA PHE B 89 14.874 6.752 -20.015 1.00 7.24 C ATOM 2036 C PHE B 89 13.606 6.245 -19.313 1.00 8.55 C ATOM 2037 O PHE B 89 13.040 6.931 -18.462 1.00 6.83 O ATOM 2038 CB PHE B 89 14.571 7.185 -21.457 1.00 8.16 C ATOM 2039 CG PHE B 89 13.283 7.970 -21.527 1.00 8.93 C ATOM 2040 CD1 PHE B 89 13.219 9.277 -21.066 1.00 10.76 C ATOM 2041 CD2 PHE B 89 12.116 7.378 -21.991 1.00 11.73 C ATOM 2042 CE1 PHE B 89 12.016 9.971 -21.061 1.00 11.20 C ATOM 2043 CE2 PHE B 89 10.909 8.076 -21.989 1.00 13.39 C ATOM 2044 CZ PHE B 89 10.870 9.378 -21.545 1.00 11.10 C ATOM 2045 H PHE B 89 16.282 5.334 -20.867 1.00 0.00 H ATOM 2046 N MET B 90 13.191 4.996 -19.618 1.00 6.05 N ATOM 2047 CA MET B 90 11.982 4.473 -18.988 1.00 5.91 C ATOM 2048 C MET B 90 12.019 4.575 -17.456 1.00 9.37 C ATOM 2049 O MET B 90 11.023 4.915 -16.843 1.00 7.95 O ATOM 2050 CB MET B 90 11.744 3.009 -19.369 1.00 7.38 C ATOM 2051 CG MET B 90 11.597 2.792 -20.849 1.00 9.36 C ATOM 2052 SD MET B 90 11.232 1.059 -21.123 1.00 12.00 S ATOM 2053 CE MET B 90 11.550 0.940 -22.865 1.00 10.31 C ATOM 2054 H MET B 90 13.726 4.414 -20.293 1.00 0.00 H ATOM 2055 N TYR B 91 13.183 4.264 -16.859 1.00 7.53 N ATOM 2056 CA TYR B 91 13.383 4.213 -15.424 1.00 8.70 C ATOM 2057 C TYR B 91 13.851 5.515 -14.765 1.00 11.13 C ATOM 2058 O TYR B 91 13.988 5.531 -13.534 1.00 10.33 O ATOM 2059 CB TYR B 91 14.375 3.092 -15.116 1.00 8.90 C ATOM 2060 CG TYR B 91 13.773 1.699 -15.083 1.00 9.55 C ATOM 2061 CD1 TYR B 91 13.284 1.161 -13.897 1.00 10.37 C ATOM 2062 CD2 TYR B 91 13.736 0.907 -16.225 1.00 10.00 C ATOM 2063 CE1 TYR B 91 12.761 -0.129 -13.845 1.00 8.35 C ATOM 2064 CE2 TYR B 91 13.225 -0.395 -16.182 1.00 10.32 C ATOM 2065 CZ TYR B 91 12.716 -0.897 -14.990 1.00 11.45 C ATOM 2066 OH TYR B 91 12.263 -2.192 -14.892 1.00 11.21 O ATOM 2067 HH TYR B 91 11.942 -2.359 -13.971 1.00 0.00 H ATOM 2068 H TYR B 91 13.996 4.045 -17.469 1.00 0.00 H ATOM 2069 N THR B 92 14.154 6.577 -15.564 1.00 8.98 N ATOM 2070 CA THR B 92 14.683 7.824 -14.991 1.00 8.45 C ATOM 2071 C THR B 92 13.999 9.123 -15.440 1.00 11.28 C ATOM 2072 O THR B 92 14.259 10.147 -14.816 1.00 11.55 O ATOM 2073 CB THR B 92 16.174 7.989 -15.391 1.00 13.02 C ATOM 2074 OG1 THR B 92 16.267 8.137 -16.816 1.00 11.07 O ATOM 2075 CG2 THR B 92 17.057 6.839 -14.918 1.00 13.61 C ATOM 2076 HG1 THR B 92 15.892 7.333 -17.255 1.00 0.00 H ATOM 2077 H THR B 92 14.009 6.505 -16.591 1.00 0.00 H ATOM 2078 N SER B 93 13.219 9.121 -16.565 1.00 8.48 N ATOM 2079 CA SER B 93 12.605 10.349 -17.141 1.00 8.97 C ATOM 2080 C SER B 93 13.673 11.247 -17.807 1.00 13.01 C ATOM 2081 O SER B 93 13.394 12.400 -18.155 1.00 13.09 O ATOM 2082 CB SER B 93 11.826 11.138 -16.088 1.00 10.58 C ATOM 2083 OG SER B 93 10.922 10.364 -15.319 1.00 12.10 O ATOM 2084 HG SER B 93 10.462 10.948 -14.666 1.00 0.00 H ATOM 2085 H SER B 93 13.046 8.214 -17.043 1.00 0.00 H ATOM 2086 N ARG B 94 14.890 10.716 -17.959 1.00 9.64 N ATOM 2087 CA ARG B 94 16.023 11.461 -18.552 1.00 10.60 C ATOM 2088 C ARG B 94 16.482 10.766 -19.817 1.00 12.95 C ATOM 2089 O ARG B 94 16.670 9.558 -19.804 1.00 11.35 O ATOM 2090 CB ARG B 94 17.172 11.578 -17.544 1.00 12.88 C ATOM 2091 CG ARG B 94 16.849 12.626 -16.486 1.00 25.49 C ATOM 2092 CD ARG B 94 17.769 12.620 -15.292 1.00 38.67 C ATOM 2093 NE ARG B 94 17.374 13.650 -14.324 1.00 56.30 N ATOM 2094 CZ ARG B 94 16.448 13.489 -13.381 1.00 73.27 C ATOM 2095 NH1 ARG B 94 15.799 12.334 -13.265 1.00 59.50 N ATOM 2096 NH2 ARG B 94 16.158 14.482 -12.552 1.00 62.53 N ATOM 2097 HE ARG B 94 17.852 14.572 -14.379 1.00 0.00 H ATOM 2098 HH12 ARG B 94 15.077 12.215 -12.526 1.00 0.00 H ATOM 2099 HH11 ARG B 94 16.014 11.550 -13.913 1.00 0.00 H ATOM 2100 HH22 ARG B 94 15.434 14.351 -11.817 1.00 0.00 H ATOM 2101 HH21 ARG B 94 16.655 15.392 -12.637 1.00 0.00 H ATOM 2102 H ARG B 94 15.048 9.737 -17.647 1.00 0.00 H ATOM 2103 N LEU B 95 16.637 11.515 -20.909 1.00 12.59 N ATOM 2104 CA LEU B 95 17.028 10.949 -22.195 1.00 12.93 C ATOM 2105 C LEU B 95 18.425 11.417 -22.602 1.00 18.62 C ATOM 2106 O LEU B 95 18.662 12.620 -22.701 1.00 18.15 O ATOM 2107 CB LEU B 95 15.980 11.344 -23.237 1.00 12.63 C ATOM 2108 CG LEU B 95 16.109 10.807 -24.675 1.00 15.12 C ATOM 2109 CD1 LEU B 95 15.974 9.279 -24.724 1.00 13.88 C ATOM 2110 CD2 LEU B 95 15.037 11.431 -25.546 1.00 17.57 C ATOM 2111 H LEU B 95 16.473 12.540 -20.841 1.00 0.00 H ATOM 2112 N ASN B 96 19.344 10.470 -22.820 1.00 17.73 N ATOM 2113 CA ASN B 96 20.707 10.790 -23.261 1.00 17.85 C ATOM 2114 C ASN B 96 20.696 10.960 -24.796 1.00 23.55 C ATOM 2115 O ASN B 96 21.056 10.037 -25.535 1.00 23.44 O ATOM 2116 CB ASN B 96 21.703 9.709 -22.797 1.00 19.28 C ATOM 2117 CG ASN B 96 23.164 10.083 -22.921 1.00 36.47 C ATOM 2118 OD1 ASN B 96 23.532 11.251 -23.078 1.00 38.89 O ATOM 2119 ND2 ASN B 96 24.034 9.092 -22.803 1.00 28.22 N ATOM 2120 HD22 ASN B 96 23.697 8.117 -22.672 1.00 0.00 H ATOM 2121 HD21 ASN B 96 25.055 9.289 -22.842 1.00 0.00 H ATOM 2122 H ASN B 96 19.084 9.474 -22.672 1.00 0.00 H ATOM 2123 N LEU B 97 20.233 12.143 -25.264 1.00 22.40 N ATOM 2124 CA LEU B 97 20.146 12.503 -26.689 1.00 23.37 C ATOM 2125 C LEU B 97 21.254 13.479 -27.063 1.00 27.75 C ATOM 2126 O LEU B 97 21.518 14.444 -26.335 1.00 27.47 O ATOM 2127 CB LEU B 97 18.808 13.184 -27.015 1.00 24.27 C ATOM 2128 CG LEU B 97 17.775 12.486 -27.917 1.00 29.45 C ATOM 2129 CD1 LEU B 97 16.813 13.511 -28.534 1.00 28.25 C ATOM 2130 CD2 LEU B 97 18.420 11.609 -28.990 1.00 32.20 C ATOM 2131 H LEU B 97 19.916 12.847 -24.568 1.00 0.00 H ATOM 2132 N ARG B 98 21.877 13.230 -28.216 1.00 24.30 N ATOM 2133 CA ARG B 98 22.925 14.049 -28.821 1.00 24.02 C ATOM 2134 C ARG B 98 23.014 13.761 -30.330 1.00 28.40 C ATOM 2135 O ARG B 98 22.198 12.986 -30.843 1.00 26.71 O ATOM 2136 CB ARG B 98 24.281 13.903 -28.095 1.00 23.67 C ATOM 2137 CG ARG B 98 24.780 12.493 -27.923 1.00 33.60 C ATOM 2138 CD ARG B 98 26.176 12.504 -27.351 1.00 48.86 C ATOM 2139 NE ARG B 98 26.336 11.501 -26.302 1.00 59.77 N ATOM 2140 CZ ARG B 98 26.665 10.231 -26.517 1.00 76.30 C ATOM 2141 NH1 ARG B 98 26.786 9.391 -25.500 1.00 63.99 N ATOM 2142 NH2 ARG B 98 26.869 9.791 -27.754 1.00 65.01 N ATOM 2143 HE ARG B 98 26.182 11.801 -25.318 1.00 0.00 H ATOM 2144 HH12 ARG B 98 27.044 8.398 -25.673 1.00 0.00 H ATOM 2145 HH11 ARG B 98 26.623 9.724 -24.528 1.00 0.00 H ATOM 2146 HH22 ARG B 98 27.126 8.796 -27.916 1.00 0.00 H ATOM 2147 HH21 ARG B 98 26.772 10.441 -28.560 1.00 0.00 H ATOM 2148 H ARG B 98 21.590 12.374 -28.732 1.00 0.00 H ATOM 2149 N GLU B 99 23.967 14.408 -31.046 1.00 26.25 N ATOM 2150 CA GLU B 99 24.167 14.220 -32.490 1.00 26.10 C ATOM 2151 C GLU B 99 24.650 12.798 -32.826 1.00 29.51 C ATOM 2152 O GLU B 99 24.158 12.188 -33.780 1.00 29.51 O ATOM 2153 CB GLU B 99 25.154 15.273 -33.062 1.00 27.76 C ATOM 2154 CG GLU B 99 24.496 16.408 -33.834 1.00 39.04 C ATOM 2155 CD GLU B 99 23.564 16.022 -34.969 1.00 62.21 C ATOM 2156 OE1 GLU B 99 22.366 16.376 -34.887 1.00 49.25 O ATOM 2157 OE2 GLU B 99 24.022 15.362 -35.930 1.00 62.74 O ATOM 2158 H GLU B 99 24.590 15.074 -30.546 1.00 0.00 H ATOM 2159 N GLY B 100 25.587 12.289 -32.033 1.00 24.60 N ATOM 2160 CA GLY B 100 26.169 10.964 -32.208 1.00 24.70 C ATOM 2161 C GLY B 100 25.221 9.786 -32.094 1.00 30.09 C ATOM 2162 O GLY B 100 25.534 8.712 -32.614 1.00 30.07 O ATOM 2163 H GLY B 100 25.925 12.871 -31.240 1.00 0.00 H ATOM 2164 N ASN B 101 24.053 9.962 -31.423 1.00 26.37 N ATOM 2165 CA ASN B 101 23.107 8.850 -31.261 1.00 25.31 C ATOM 2166 C ASN B 101 21.655 9.145 -31.706 1.00 27.07 C ATOM 2167 O ASN B 101 20.867 8.204 -31.758 1.00 26.06 O ATOM 2168 CB ASN B 101 23.129 8.318 -29.818 1.00 24.32 C ATOM 2169 CG ASN B 101 22.675 9.290 -28.755 1.00 27.55 C ATOM 2170 OD1 ASN B 101 21.911 10.222 -28.998 1.00 23.23 O ATOM 2171 ND2 ASN B 101 23.105 9.056 -27.531 1.00 25.84 N ATOM 2172 HD22 ASN B 101 23.751 8.261 -27.350 1.00 0.00 H ATOM 2173 HD21 ASN B 101 22.798 9.666 -26.747 1.00 0.00 H ATOM 2174 H ASN B 101 23.826 10.894 -31.020 1.00 0.00 H ATOM 2175 N ILE B 102 21.297 10.411 -32.014 1.00 22.59 N ATOM 2176 CA ILE B 102 19.927 10.799 -32.408 1.00 23.27 C ATOM 2177 C ILE B 102 19.276 9.807 -33.405 1.00 27.16 C ATOM 2178 O ILE B 102 18.088 9.491 -33.252 1.00 25.63 O ATOM 2179 CB ILE B 102 19.807 12.276 -32.906 1.00 27.19 C ATOM 2180 CG1 ILE B 102 18.371 12.649 -33.386 1.00 27.63 C ATOM 2181 CG2 ILE B 102 20.844 12.612 -33.991 1.00 29.75 C ATOM 2182 CD1 ILE B 102 17.337 12.729 -32.364 1.00 33.43 C ATOM 2183 H ILE B 102 22.025 11.152 -31.971 1.00 0.00 H ATOM 2184 N MET B 103 20.053 9.313 -34.400 1.00 24.25 N ATOM 2185 CA MET B 103 19.518 8.399 -35.408 1.00 23.44 C ATOM 2186 C MET B 103 19.153 7.038 -34.832 1.00 27.44 C ATOM 2187 O MET B 103 18.023 6.596 -35.040 1.00 27.08 O ATOM 2188 CB MET B 103 20.437 8.276 -36.641 1.00 25.12 C ATOM 2189 CG MET B 103 20.563 9.572 -37.453 1.00 28.06 C ATOM 2190 SD MET B 103 19.118 10.662 -37.496 1.00 31.13 S ATOM 2191 CE MET B 103 18.248 10.012 -38.850 1.00 28.41 C ATOM 2192 H MET B 103 21.054 9.591 -34.447 1.00 0.00 H ATOM 2193 N ALA B 104 20.084 6.384 -34.103 1.00 24.15 N ATOM 2194 CA ALA B 104 19.821 5.088 -33.486 1.00 23.33 C ATOM 2195 C ALA B 104 18.758 5.211 -32.365 1.00 25.96 C ATOM 2196 O ALA B 104 17.911 4.325 -32.247 1.00 25.92 O ATOM 2197 CB ALA B 104 21.108 4.483 -32.959 1.00 24.12 C ATOM 2198 H ALA B 104 21.020 6.819 -33.977 1.00 0.00 H ATOM 2199 N VAL B 105 18.772 6.321 -31.584 1.00 19.25 N ATOM 2200 CA VAL B 105 17.773 6.556 -30.526 1.00 18.90 C ATOM 2201 C VAL B 105 16.356 6.702 -31.126 1.00 22.14 C ATOM 2202 O VAL B 105 15.433 6.031 -30.665 1.00 20.79 O ATOM 2203 CB VAL B 105 18.148 7.712 -29.570 1.00 22.74 C ATOM 2204 CG1 VAL B 105 16.963 8.109 -28.681 1.00 21.94 C ATOM 2205 CG2 VAL B 105 19.356 7.327 -28.709 1.00 22.36 C ATOM 2206 H VAL B 105 19.515 7.032 -31.738 1.00 0.00 H ATOM 2207 N MET B 106 16.203 7.518 -32.184 1.00 19.26 N ATOM 2208 CA MET B 106 14.911 7.726 -32.834 1.00 19.54 C ATOM 2209 C MET B 106 14.412 6.432 -33.474 1.00 19.27 C ATOM 2210 O MET B 106 13.233 6.115 -33.339 1.00 18.27 O ATOM 2211 CB MET B 106 14.984 8.861 -33.861 1.00 23.07 C ATOM 2212 CG MET B 106 13.642 9.230 -34.475 1.00 27.87 C ATOM 2213 SD MET B 106 13.757 10.692 -35.536 1.00 33.78 S ATOM 2214 CE MET B 106 15.138 10.180 -36.614 1.00 30.90 C ATOM 2215 H MET B 106 17.036 8.020 -32.553 1.00 0.00 H ATOM 2216 N ALA B 107 15.314 5.678 -34.119 1.00 14.84 N ATOM 2217 CA ALA B 107 15.013 4.381 -34.757 1.00 14.97 C ATOM 2218 C ALA B 107 14.434 3.420 -33.745 1.00 16.57 C ATOM 2219 O ALA B 107 13.397 2.825 -34.003 1.00 15.66 O ATOM 2220 CB ALA B 107 16.281 3.776 -35.363 1.00 16.39 C ATOM 2221 H ALA B 107 16.291 6.030 -34.173 1.00 0.00 H ATOM 2222 N THR B 108 15.088 3.310 -32.566 1.00 13.51 N ATOM 2223 CA THR B 108 14.684 2.424 -31.472 1.00 12.65 C ATOM 2224 C THR B 108 13.344 2.874 -30.852 1.00 15.29 C ATOM 2225 O THR B 108 12.464 2.043 -30.649 1.00 14.56 O ATOM 2226 CB THR B 108 15.845 2.291 -30.460 1.00 17.93 C ATOM 2227 OG1 THR B 108 17.058 2.081 -31.178 1.00 18.15 O ATOM 2228 CG2 THR B 108 15.645 1.138 -29.483 1.00 12.80 C ATOM 2229 HG1 THR B 108 17.222 2.851 -31.779 1.00 0.00 H ATOM 2230 H THR B 108 15.936 3.895 -32.427 1.00 0.00 H ATOM 2231 N ALA B 109 13.174 4.181 -30.592 1.00 12.41 N ATOM 2232 CA ALA B 109 11.933 4.744 -30.042 1.00 12.21 C ATOM 2233 C ALA B 109 10.733 4.512 -30.965 1.00 15.41 C ATOM 2234 O ALA B 109 9.628 4.263 -30.484 1.00 14.90 O ATOM 2235 CB ALA B 109 12.116 6.233 -29.769 1.00 13.23 C ATOM 2236 H ALA B 109 13.963 4.829 -30.791 1.00 0.00 H ATOM 2237 N MET B 110 10.957 4.545 -32.288 1.00 12.88 N ATOM 2238 CA MET B 110 9.897 4.277 -33.269 1.00 13.93 C ATOM 2239 C MET B 110 9.497 2.799 -33.159 1.00 15.83 C ATOM 2240 O MET B 110 8.308 2.496 -33.091 1.00 15.94 O ATOM 2241 CB MET B 110 10.393 4.578 -34.694 1.00 17.11 C ATOM 2242 CG MET B 110 10.577 6.063 -34.975 1.00 22.43 C ATOM 2243 SD MET B 110 10.959 6.394 -36.722 1.00 29.51 S ATOM 2244 CE MET B 110 12.702 6.362 -36.713 1.00 27.30 C ATOM 2245 H MET B 110 11.913 4.768 -32.630 1.00 0.00 H ATOM 2246 N TYR B 111 10.495 1.895 -33.089 1.00 11.51 N ATOM 2247 CA TYR B 111 10.269 0.452 -32.959 1.00 10.78 C ATOM 2248 C TYR B 111 9.560 0.132 -31.633 1.00 14.66 C ATOM 2249 O TYR B 111 8.600 -0.639 -31.611 1.00 13.15 O ATOM 2250 CB TYR B 111 11.616 -0.279 -33.029 1.00 11.76 C ATOM 2251 CG TYR B 111 11.563 -1.755 -32.689 1.00 12.64 C ATOM 2252 CD1 TYR B 111 10.876 -2.654 -33.500 1.00 14.76 C ATOM 2253 CD2 TYR B 111 12.202 -2.251 -31.557 1.00 12.76 C ATOM 2254 CE1 TYR B 111 10.844 -4.018 -33.198 1.00 15.34 C ATOM 2255 CE2 TYR B 111 12.205 -3.608 -31.266 1.00 12.84 C ATOM 2256 CZ TYR B 111 11.494 -4.485 -32.066 1.00 19.19 C ATOM 2257 OH TYR B 111 11.533 -5.824 -31.777 1.00 16.34 O ATOM 2258 HH TYR B 111 10.980 -6.318 -32.433 1.00 0.00 H ATOM 2259 H TYR B 111 11.476 2.239 -33.129 1.00 0.00 H ATOM 2260 N LEU B 112 10.027 0.736 -30.521 1.00 11.65 N ATOM 2261 CA LEU B 112 9.444 0.497 -29.195 1.00 10.43 C ATOM 2262 C LEU B 112 8.093 1.198 -28.998 1.00 14.59 C ATOM 2263 O LEU B 112 7.423 0.975 -27.991 1.00 11.96 O ATOM 2264 CB LEU B 112 10.417 0.911 -28.081 1.00 9.25 C ATOM 2265 CG LEU B 112 11.743 0.199 -27.970 1.00 10.33 C ATOM 2266 CD1 LEU B 112 12.581 0.811 -26.888 1.00 11.55 C ATOM 2267 CD2 LEU B 112 11.575 -1.310 -27.747 1.00 9.08 C ATOM 2268 H LEU B 112 10.828 1.394 -30.606 1.00 0.00 H ATOM 2269 N GLN B 113 7.690 2.048 -29.960 1.00 10.79 N ATOM 2270 CA GLN B 113 6.439 2.808 -29.915 1.00 11.05 C ATOM 2271 C GLN B 113 6.385 3.664 -28.648 1.00 14.56 C ATOM 2272 O GLN B 113 5.520 3.477 -27.793 1.00 13.90 O ATOM 2273 CB GLN B 113 5.205 1.909 -30.066 1.00 11.58 C ATOM 2274 CG GLN B 113 5.240 1.001 -31.264 1.00 15.46 C ATOM 2275 CD GLN B 113 4.211 -0.085 -31.157 1.00 25.38 C ATOM 2276 OE1 GLN B 113 3.208 0.039 -30.441 1.00 19.01 O ATOM 2277 NE2 GLN B 113 4.455 -1.186 -31.857 1.00 27.31 N ATOM 2278 HE22 GLN B 113 5.310 -1.249 -32.446 1.00 0.00 H ATOM 2279 HE21 GLN B 113 3.791 -1.986 -31.816 1.00 0.00 H ATOM 2280 H GLN B 113 8.306 2.173 -30.788 1.00 0.00 H ATOM 2281 N MET B 114 7.347 4.598 -28.544 1.00 13.55 N ATOM 2282 CA MET B 114 7.482 5.554 -27.445 1.00 13.25 C ATOM 2283 C MET B 114 7.316 6.945 -28.102 1.00 17.82 C ATOM 2284 O MET B 114 8.301 7.612 -28.413 1.00 18.37 O ATOM 2285 CB MET B 114 8.856 5.374 -26.755 1.00 14.48 C ATOM 2286 CG MET B 114 9.012 4.032 -26.078 1.00 15.49 C ATOM 2287 SD MET B 114 10.678 3.654 -25.505 1.00 17.56 S ATOM 2288 CE MET B 114 10.815 4.758 -24.073 1.00 14.07 C ATOM 2289 H MET B 114 8.052 4.644 -29.307 1.00 0.00 H ATOM 2290 N GLU B 115 6.058 7.327 -28.380 1.00 15.58 N ATOM 2291 CA GLU B 115 5.694 8.555 -29.115 1.00 16.40 C ATOM 2292 C GLU B 115 6.317 9.857 -28.569 1.00 20.00 C ATOM 2293 O GLU B 115 6.672 10.705 -29.379 1.00 19.88 O ATOM 2294 CB GLU B 115 4.166 8.718 -29.261 1.00 18.98 C ATOM 2295 CG GLU B 115 3.392 8.848 -27.956 1.00 33.60 C ATOM 2296 CD GLU B 115 1.948 9.292 -28.092 1.00 59.24 C ATOM 2297 OE1 GLU B 115 1.642 10.442 -27.701 1.00 56.54 O ATOM 2298 OE2 GLU B 115 1.118 8.487 -28.573 1.00 54.04 O ATOM 2299 H GLU B 115 5.284 6.713 -28.054 1.00 0.00 H ATOM 2300 N HIS B 116 6.464 10.022 -27.237 1.00 18.84 N ATOM 2301 CA HIS B 116 7.045 11.252 -26.672 1.00 18.83 C ATOM 2302 C HIS B 116 8.517 11.358 -26.958 1.00 20.60 C ATOM 2303 O HIS B 116 9.014 12.456 -27.191 1.00 20.62 O ATOM 2304 CB HIS B 116 6.749 11.401 -25.173 1.00 20.47 C ATOM 2305 CG HIS B 116 5.285 11.397 -24.877 1.00 24.69 C ATOM 2306 ND1 HIS B 116 4.486 12.482 -25.181 1.00 26.77 N ATOM 2307 CD2 HIS B 116 4.509 10.408 -24.372 1.00 27.17 C ATOM 2308 CE1 HIS B 116 3.258 12.134 -24.831 1.00 26.85 C ATOM 2309 NE2 HIS B 116 3.221 10.895 -24.339 1.00 27.26 N ATOM 2310 H HIS B 116 6.160 9.263 -26.595 1.00 0.00 H ATOM 2311 N VAL B 117 9.224 10.223 -26.967 1.00 14.85 N ATOM 2312 CA VAL B 117 10.644 10.219 -27.309 1.00 13.79 C ATOM 2313 C VAL B 117 10.773 10.522 -28.823 1.00 17.23 C ATOM 2314 O VAL B 117 11.616 11.328 -29.191 1.00 19.12 O ATOM 2315 CB VAL B 117 11.349 8.895 -26.907 1.00 16.10 C ATOM 2316 CG1 VAL B 117 12.807 8.892 -27.343 1.00 15.82 C ATOM 2317 CG2 VAL B 117 11.247 8.670 -25.412 1.00 15.69 C ATOM 2318 H VAL B 117 8.754 9.327 -26.726 1.00 0.00 H ATOM 2319 N VAL B 118 9.912 9.912 -29.672 1.00 13.99 N ATOM 2320 CA VAL B 118 9.903 10.135 -31.126 1.00 13.68 C ATOM 2321 C VAL B 118 9.693 11.639 -31.408 1.00 20.75 C ATOM 2322 O VAL B 118 10.466 12.218 -32.167 1.00 20.10 O ATOM 2323 CB VAL B 118 8.907 9.238 -31.912 1.00 16.24 C ATOM 2324 CG1 VAL B 118 8.909 9.579 -33.413 1.00 15.81 C ATOM 2325 CG2 VAL B 118 9.207 7.759 -31.707 1.00 15.42 C ATOM 2326 H VAL B 118 9.218 9.248 -29.273 1.00 0.00 H ATOM 2327 N ASP B 119 8.689 12.265 -30.743 1.00 20.66 N ATOM 2328 CA ASP B 119 8.379 13.694 -30.882 1.00 20.76 C ATOM 2329 C ASP B 119 9.589 14.576 -30.507 1.00 24.22 C ATOM 2330 O ASP B 119 9.930 15.501 -31.260 1.00 24.33 O ATOM 2331 CB ASP B 119 7.133 14.080 -30.059 1.00 23.07 C ATOM 2332 CG ASP B 119 5.798 13.507 -30.520 1.00 40.13 C ATOM 2333 OD1 ASP B 119 5.619 13.314 -31.749 1.00 41.13 O ATOM 2334 OD2 ASP B 119 4.910 13.296 -29.654 1.00 46.15 O ATOM 2335 H ASP B 119 8.104 11.699 -30.096 1.00 0.00 H ATOM 2336 N THR B 120 10.265 14.255 -29.376 1.00 18.79 N ATOM 2337 CA THR B 120 11.465 14.936 -28.878 1.00 18.70 C ATOM 2338 C THR B 120 12.641 14.745 -29.834 1.00 22.90 C ATOM 2339 O THR B 120 13.455 15.648 -29.987 1.00 24.04 O ATOM 2340 CB THR B 120 11.763 14.477 -27.441 1.00 25.85 C ATOM 2341 OG1 THR B 120 10.659 14.868 -26.627 1.00 29.95 O ATOM 2342 CG2 THR B 120 13.078 15.032 -26.875 1.00 22.76 C ATOM 2343 HG1 THR B 120 9.834 14.437 -26.964 1.00 0.00 H ATOM 2344 H THR B 120 9.902 13.459 -28.814 1.00 0.00 H ATOM 2345 N CYS B 121 12.726 13.573 -30.475 1.00 19.84 N ATOM 2346 CA CYS B 121 13.765 13.298 -31.467 1.00 19.42 C ATOM 2347 C CYS B 121 13.525 14.193 -32.693 1.00 22.31 C ATOM 2348 O CYS B 121 14.478 14.792 -33.185 1.00 22.03 O ATOM 2349 CB CYS B 121 13.777 11.819 -31.839 1.00 18.98 C ATOM 2350 SG CYS B 121 14.574 10.756 -30.609 1.00 22.42 S ATOM 2351 H CYS B 121 12.029 12.832 -30.260 1.00 0.00 H ATOM 2352 N ARG B 122 12.242 14.359 -33.098 1.00 22.00 N ATOM 2353 CA ARG B 122 11.779 15.221 -34.206 1.00 22.76 C ATOM 2354 C ARG B 122 11.972 16.713 -33.881 1.00 28.40 C ATOM 2355 O ARG B 122 12.035 17.535 -34.798 1.00 28.02 O ATOM 2356 CB ARG B 122 10.304 14.971 -34.496 1.00 24.24 C ATOM 2357 CG ARG B 122 10.046 13.713 -35.308 1.00 29.09 C ATOM 2358 CD ARG B 122 8.622 13.676 -35.825 1.00 37.31 C ATOM 2359 NE ARG B 122 8.391 14.676 -36.870 1.00 37.08 N ATOM 2360 CZ ARG B 122 7.466 14.571 -37.818 1.00 44.21 C ATOM 2361 NH1 ARG B 122 6.678 13.502 -37.874 1.00 29.79 N ATOM 2362 NH2 ARG B 122 7.330 15.526 -38.726 1.00 28.86 N ATOM 2363 HE ARG B 122 8.991 15.525 -36.870 1.00 0.00 H ATOM 2364 HH12 ARG B 122 5.956 13.427 -38.619 1.00 0.00 H ATOM 2365 HH11 ARG B 122 6.783 12.741 -37.173 1.00 0.00 H ATOM 2366 HH22 ARG B 122 6.605 15.440 -39.466 1.00 0.00 H ATOM 2367 HH21 ARG B 122 7.948 16.362 -38.698 1.00 0.00 H ATOM 2368 H ARG B 122 11.513 13.829 -32.579 1.00 0.00 H ATOM 2369 N LYS B 123 12.016 17.065 -32.577 1.00 24.37 N ATOM 2370 CA LYS B 123 12.232 18.443 -32.123 1.00 24.41 C ATOM 2371 C LYS B 123 13.719 18.731 -31.976 1.00 30.04 C ATOM 2372 O LYS B 123 14.140 19.887 -32.083 1.00 31.56 O ATOM 2373 CB LYS B 123 11.444 18.745 -30.834 1.00 25.44 C ATOM 2374 CG LYS B 123 9.945 18.889 -31.082 1.00 40.57 C ATOM 2375 CD LYS B 123 9.144 18.999 -29.796 1.00 44.76 C ATOM 2376 CE LYS B 123 7.665 19.012 -30.073 1.00 50.96 C ATOM 2377 NZ LYS B 123 6.875 18.939 -28.818 1.00 58.98 N ATOM 2378 HZ1 LYS B 123 7.108 18.060 -28.314 1.00 0.00 H ATOM 2379 HZ2 LYS B 123 7.105 19.756 -28.217 1.00 0.00 H ATOM 2380 HZ3 LYS B 123 5.861 18.950 -29.047 1.00 0.00 H ATOM 2381 H LYS B 123 11.891 16.322 -31.860 1.00 0.00 H ATOM 2382 N PHE B 124 14.523 17.674 -31.794 1.00 26.84 N ATOM 2383 CA PHE B 124 15.974 17.758 -31.701 1.00 27.42 C ATOM 2384 C PHE B 124 16.537 18.034 -33.105 1.00 34.15 C ATOM 2385 O PHE B 124 17.421 18.886 -33.251 1.00 33.28 O ATOM 2386 CB PHE B 124 16.562 16.475 -31.085 1.00 29.33 C ATOM 2387 CG PHE B 124 18.052 16.497 -30.831 1.00 30.46 C ATOM 2388 CD1 PHE B 124 18.571 17.091 -29.686 1.00 32.86 C ATOM 2389 CD2 PHE B 124 18.932 15.870 -31.703 1.00 32.43 C ATOM 2390 CE1 PHE B 124 19.948 17.093 -29.440 1.00 33.50 C ATOM 2391 CE2 PHE B 124 20.309 15.874 -31.458 1.00 34.94 C ATOM 2392 CZ PHE B 124 20.808 16.496 -30.331 1.00 32.66 C ATOM 2393 H PHE B 124 14.083 16.735 -31.714 1.00 0.00 H ATOM 2394 N ILE B 125 15.979 17.345 -34.138 1.00 31.55 N ATOM 2395 CA ILE B 125 16.337 17.522 -35.556 1.00 31.40 C ATOM 2396 C ILE B 125 15.981 18.950 -36.016 1.00 36.29 C ATOM 2397 O ILE B 125 16.837 19.635 -36.582 1.00 37.29 O ATOM 2398 CB ILE B 125 15.683 16.423 -36.453 1.00 33.91 C ATOM 2399 CG1 ILE B 125 16.154 15.012 -36.030 1.00 33.69 C ATOM 2400 CG2 ILE B 125 15.977 16.662 -37.949 1.00 34.75 C ATOM 2401 CD1 ILE B 125 15.268 13.899 -36.513 1.00 37.91 C ATOM 2402 H ILE B 125 15.247 16.643 -33.910 1.00 0.00 H ATOM 2403 N LYS B 126 14.737 19.400 -35.743 1.00 32.52 N ATOM 2404 CA LYS B 126 14.221 20.730 -36.085 1.00 32.78 C ATOM 2405 C LYS B 126 15.067 21.902 -35.542 1.00 39.50 C ATOM 2406 O LYS B 126 15.037 22.990 -36.120 1.00 39.24 O ATOM 2407 CB LYS B 126 12.754 20.869 -35.647 1.00 34.93 C ATOM 2408 CG LYS B 126 11.926 21.759 -36.558 1.00 49.61 C ATOM 2409 CD LYS B 126 10.905 22.558 -35.770 1.00 60.50 C ATOM 2410 CE LYS B 126 9.981 23.364 -36.651 1.00 72.21 C ATOM 2411 NZ LYS B 126 8.851 22.544 -37.161 1.00 84.62 N ATOM 2412 HZ1 LYS B 126 9.225 21.750 -37.719 1.00 0.00 H ATOM 2413 HZ2 LYS B 126 8.301 22.177 -36.358 1.00 0.00 H ATOM 2414 HZ3 LYS B 126 8.240 23.133 -37.761 1.00 0.00 H ATOM 2415 H LYS B 126 14.092 18.750 -35.250 1.00 0.00 H ATOM 2416 N ALA B 127 15.827 21.674 -34.452 1.00 38.18 N ATOM 2417 CA ALA B 127 16.685 22.678 -33.822 1.00 38.67 C ATOM 2418 C ALA B 127 18.175 22.249 -33.773 1.00 43.28 C ATOM 2419 O ALA B 127 18.912 22.662 -32.867 1.00 43.35 O ATOM 2420 CB ALA B 127 16.162 22.997 -32.430 1.00 39.66 C ATOM 2421 H ALA B 127 15.802 20.723 -34.032 1.00 0.00 H ATOM 2422 N SER B 128 18.617 21.451 -34.772 1.00 39.65 N ATOM 2423 CA SER B 128 19.991 20.948 -34.893 1.00 49.69 C ATOM 2424 C SER B 128 20.815 21.829 -35.831 1.00 80.37 C ATOM 2425 O SER B 128 20.384 22.109 -36.948 1.00 43.14 O ATOM 2426 CB SER B 128 19.990 19.503 -35.387 1.00 52.78 C ATOM 2427 OG SER B 128 21.301 18.969 -35.478 1.00 61.16 O ATOM 2428 HG SER B 128 21.727 18.990 -34.585 1.00 0.00 H ATOM 2429 H SER B 128 17.935 21.174 -35.507 1.00 0.00 H TER 2430 SER B 128 HETATM 2431 O HOH 1 -9.857 -6.392 -3.901 1.00 22.41 O HETATM 2432 O HOH 2 -6.416 0.347 -9.471 1.00 20.02 O HETATM 2433 O HOH 3 -7.969 -12.369 7.209 1.00 22.80 O HETATM 2434 O HOH 4 2.805 -7.604 10.550 1.00 22.00 O HETATM 2435 O HOH 5 -5.809 -3.501 -5.846 1.00 14.12 O HETATM 2436 O HOH 6 12.605 -16.966 -2.323 1.00 21.04 O HETATM 2437 O HOH 7 -6.443 -6.294 9.272 1.00 19.09 O HETATM 2438 O HOH 8 5.988 -6.782 -8.702 1.00 19.77 O HETATM 2439 O HOH 9 8.248 16.501 -12.913 1.00 30.02 O HETATM 2440 O HOH 10 -10.861 -4.574 -14.610 1.00 21.49 O HETATM 2441 O HOH 11 -12.748 -1.225 3.297 1.00 33.72 O HETATM 2442 O HOH 12 12.486 -0.646 5.746 1.00 30.28 O HETATM 2443 O HOH 13 -7.029 0.093 -16.644 1.00 28.85 O HETATM 2444 O HOH 14 5.919 -1.729 10.808 1.00 18.22 O HETATM 2445 O HOH 15 -1.782 7.261 -11.104 1.00 13.47 O HETATM 2446 O HOH 16 8.559 5.738 -1.148 1.00 33.63 O HETATM 2447 O HOH 17 4.400 -7.147 -10.896 1.00 30.57 O HETATM 2448 O HOH 18 12.816 -9.812 6.214 1.00 25.88 O HETATM 2449 O HOH 19 -3.136 10.789 -9.933 1.00 23.37 O HETATM 2450 O HOH 20 0.180 22.122 9.701 1.00 34.80 O HETATM 2451 O HOH 21 -5.853 7.823 -1.257 1.00 18.96 O HETATM 2452 O HOH 22 -12.459 -11.468 1.051 1.00 21.60 O HETATM 2453 O HOH 23 6.656 -5.419 -11.251 1.00 20.84 O HETATM 2454 O HOH 24 6.738 4.050 10.867 1.00 23.22 O HETATM 2455 O HOH 25 -5.523 0.834 10.587 1.00 25.53 O HETATM 2456 O HOH 26 6.437 11.346 13.428 1.00 26.42 O HETATM 2457 O HOH 27 18.949 8.205 -17.966 1.00 21.65 O HETATM 2458 O HOH 28 6.011 13.148 -13.723 1.00 21.25 O HETATM 2459 O HOH 29 -5.673 -6.313 -9.357 1.00 23.59 O HETATM 2460 O HOH 30 -0.368 -13.738 -8.025 1.00 25.05 O HETATM 2461 O HOH 31 5.068 6.071 -0.512 1.00 16.83 O HETATM 2462 O HOH 32 -6.682 4.049 -7.482 1.00 24.72 O HETATM 2463 O HOH 33 -1.212 -11.200 -15.129 1.00 12.50 O HETATM 2464 O HOH 34 -0.092 7.267 -18.515 1.00 15.60 O HETATM 2465 O HOH 35 9.902 -3.579 8.884 1.00 22.66 O HETATM 2466 O HOH 36 1.205 10.956 -10.070 1.00 14.61 O HETATM 2467 O HOH 37 1.776 -12.850 6.039 1.00 26.00 O HETATM 2468 O HOH 38 10.356 -16.557 -0.839 1.00 15.00 O HETATM 2469 O HOH 39 8.994 12.739 -14.729 1.00 17.24 O HETATM 2470 O HOH 40 7.371 6.050 1.932 1.00 24.90 O HETATM 2471 O HOH 41 15.114 -7.295 4.241 1.00 20.33 O HETATM 2472 O HOH 42 7.255 14.974 -20.035 1.00 22.32 O HETATM 2473 O HOH 43 -8.599 -4.574 19.227 1.00 27.06 O HETATM 2474 O HOH 44 -0.047 9.264 -11.888 1.00 10.75 O HETATM 2475 O HOH 45 8.867 5.677 4.145 1.00 28.56 O HETATM 2476 O HOH 46 -9.163 -6.152 -11.592 1.00 27.27 O HETATM 2477 O HOH 47 -1.298 -13.999 -5.260 1.00 22.93 O HETATM 2478 O HOH 48 -10.348 9.756 12.175 1.00 24.78 O HETATM 2479 O HOH 49 -14.869 13.390 7.715 1.00 39.53 O HETATM 2480 O HOH 50 1.589 6.382 -21.630 1.00 33.89 O HETATM 2481 O HOH 51 -5.327 -9.658 8.182 1.00 20.93 O HETATM 2482 O HOH 52 7.217 9.685 -21.619 1.00 21.35 O HETATM 2483 O HOH 53 -1.723 -11.551 -12.257 1.00 26.51 O HETATM 2484 O HOH 54 -14.499 -5.474 5.798 1.00 27.19 O HETATM 2485 O HOH 55 -7.692 -6.034 -5.729 1.00 18.21 O HETATM 2486 O HOH 56 18.712 -7.970 -0.862 1.00 18.49 O HETATM 2487 O HOH 57 -10.652 -1.888 -14.558 1.00 25.39 O HETATM 2488 O HOH 58 -4.447 6.596 -11.552 1.00 21.61 O HETATM 2489 O HOH 59 3.694 15.258 -13.749 1.00 32.88 O HETATM 2490 O HOH 60 -8.375 6.691 -2.429 1.00 22.16 O HETATM 2491 O HOH 61 18.961 3.056 -2.426 1.00 25.95 O HETATM 2492 O HOH 62 10.437 13.860 -12.795 1.00 25.02 O HETATM 2493 O HOH 63 -12.681 -6.605 7.692 1.00 20.62 O HETATM 2494 O HOH 64 19.481 -14.043 -4.543 1.00 35.41 O HETATM 2495 O HOH 65 -10.930 -15.642 0.154 1.00 29.68 O HETATM 2496 O HOH 66 13.211 4.852 -0.095 1.00 22.87 O HETATM 2497 O HOH 67 5.887 17.212 -20.814 1.00 26.96 O HETATM 2498 O HOH 68 13.040 5.559 2.798 1.00 36.08 O HETATM 2499 O HOH 69 1.699 15.286 -15.625 1.00 29.40 O HETATM 2500 O HOH 70 8.815 17.735 -20.380 1.00 27.41 O HETATM 2501 O HOH 71 -10.332 7.087 11.561 1.00 25.61 O HETATM 2502 O HOH 72 -5.663 -10.208 -16.182 1.00 24.11 O HETATM 2503 O HOH 73 19.199 -9.278 -3.428 1.00 21.87 O HETATM 2504 O HOH 74 6.097 0.417 12.551 1.00 40.82 O HETATM 2505 O HOH 75 0.871 8.973 -21.292 1.00 35.48 O HETATM 2506 O HOH 76 -10.801 0.620 -4.773 1.00 30.48 O HETATM 2507 O HOH 77 7.477 6.088 8.790 1.00 26.97 O HETATM 2508 O HOH 78 -11.785 -5.200 9.997 1.00 25.68 O HETATM 2509 O HOH 79 6.560 12.214 -21.140 1.00 24.05 O HETATM 2510 O HOH 80 -5.810 4.411 -13.512 1.00 37.25 O HETATM 2511 O HOH 81 -7.227 1.788 12.827 1.00 40.64 O HETATM 2512 O HOH 82 22.876 -6.401 -18.841 1.00 16.91 O HETATM 2513 O HOH 83 20.062 0.471 -18.313 1.00 23.06 O HETATM 2514 O HOH 84 20.760 -12.349 -29.994 1.00 24.93 O HETATM 2515 O HOH 85 19.211 0.230 -13.063 1.00 14.51 O HETATM 2516 O HOH 86 18.341 -6.259 -13.227 1.00 20.22 O HETATM 2517 O HOH 87 6.881 -1.624 -33.426 1.00 23.38 O HETATM 2518 O HOH 88 0.090 -16.937 -20.201 1.00 19.38 O HETATM 2519 O HOH 89 18.275 0.675 -33.127 1.00 23.41 O HETATM 2520 O HOH 90 18.760 -3.579 -16.847 1.00 14.39 O HETATM 2521 O HOH 91 -5.529 -1.341 -25.177 1.00 32.31 O HETATM 2522 O HOH 92 9.982 -7.394 -33.332 1.00 21.68 O HETATM 2523 O HOH 93 19.186 -6.273 -32.053 1.00 19.22 O HETATM 2524 O HOH 94 18.617 7.907 -21.470 1.00 15.72 O HETATM 2525 O HOH 95 6.892 -6.891 -13.987 1.00 17.99 O HETATM 2526 O HOH 96 6.279 4.273 -33.356 1.00 24.72 O HETATM 2527 O HOH 97 23.633 -4.597 -7.965 1.00 22.12 O HETATM 2528 O HOH 98 6.503 -1.900 -11.398 1.00 18.87 O HETATM 2529 O HOH 99 20.908 -11.832 -18.837 1.00 35.21 O HETATM 2530 O HOH 100 -5.962 8.266 -4.607 1.00 21.03 O HETATM 2531 O HOH 101 22.323 -4.742 -33.522 1.00 24.88 O HETATM 2532 O HOH 102 19.963 2.552 -9.599 1.00 26.61 O HETATM 2533 O HOH 103 -4.611 -18.944 -22.311 1.00 18.91 O HETATM 2534 O HOH 104 25.464 -11.527 -23.946 1.00 26.51 O HETATM 2535 O HOH 105 4.526 6.373 -20.027 1.00 45.76 O HETATM 2536 O HOH 106 12.487 22.078 -32.282 1.00 25.41 O HETATM 2537 O HOH 107 13.286 -13.789 -14.732 1.00 24.73 O HETATM 2538 O HOH 108 14.666 7.328 -11.546 1.00 10.38 O HETATM 2539 O HOH 109 11.555 10.862 -12.654 1.00 14.80 O HETATM 2540 O HOH 110 12.806 9.436 -10.753 1.00 10.25 O HETATM 2541 O HOH 111 5.614 9.473 -1.106 1.00 19.40 O HETATM 2542 O HOH 112 9.514 18.708 -34.458 1.00 29.08 O HETATM 2543 O HOH 113 -1.723 -15.410 -16.774 1.00 33.43 O HETATM 2544 O HOH 114 21.461 -4.295 -41.826 1.00 25.77 O HETATM 2545 O HOH 115 23.034 1.567 -18.677 1.00 33.46 O HETATM 2546 O HOH 116 3.022 -3.586 -31.595 1.00 20.86 O HETATM 2547 O HOH 117 19.527 4.140 -15.151 1.00 22.47 O HETATM 2548 O HOH 118 6.809 13.139 -9.231 1.00 15.82 O HETATM 2549 O HOH 119 17.887 -0.218 -2.831 1.00 20.28 O HETATM 2550 O HOH 120 18.106 -9.531 -30.846 1.00 17.53 O HETATM 2551 O HOH 121 12.955 7.184 -4.068 1.00 18.47 O HETATM 2552 O HOH 122 9.705 -14.488 -26.839 1.00 34.06 O HETATM 2553 O HOH 123 -2.191 -7.238 -26.944 1.00 18.69 O HETATM 2554 O HOH 124 12.622 2.369 -36.707 1.00 29.13 O HETATM 2555 O HOH 125 19.321 19.733 -31.302 1.00 31.24 O HETATM 2556 O HOH 126 8.339 8.444 -1.435 1.00 29.64 O HETATM 2557 O HOH 127 14.024 -11.247 -7.457 1.00 16.15 O HETATM 2558 O HOH 128 3.963 5.781 -27.105 1.00 21.93 O HETATM 2559 O HOH 129 9.217 15.134 -9.027 1.00 29.62 O HETATM 2560 O HOH 130 16.952 9.400 -2.655 1.00 17.94 O HETATM 2561 O HOH 131 17.982 -12.152 -30.112 1.00 37.96 O HETATM 2562 O HOH 132 5.569 15.015 -2.598 1.00 30.84 O HETATM 2563 O HOH 133 -5.210 -0.122 -19.682 1.00 23.63 O HETATM 2564 O HOH 134 6.378 6.535 -11.268 1.00 20.25 O HETATM 2565 O HOH 135 7.796 6.103 -22.050 1.00 15.83 O HETATM 2566 O HOH 136 2.604 -16.585 -21.775 1.00 13.96 O HETATM 2567 O HOH 137 3.799 12.718 -7.977 1.00 16.72 O HETATM 2568 O HOH 138 23.099 9.676 -34.810 1.00 23.09 O HETATM 2569 O HOH 139 14.104 -13.751 -17.422 1.00 24.51 O HETATM 2570 O HOH 140 10.201 -16.901 -22.604 1.00 28.42 O HETATM 2571 O HOH 141 21.972 -0.402 -6.334 1.00 25.29 O HETATM 2572 O HOH 142 -5.854 -8.031 -21.809 1.00 19.20 O HETATM 2573 O HOH 143 20.648 -6.286 -16.997 1.00 16.36 O HETATM 2574 O HOH 144 -6.008 3.203 -19.971 1.00 22.58 O HETATM 2575 O HOH 145 14.942 6.970 -0.739 1.00 32.98 O HETATM 2576 O HOH 146 23.495 -1.904 -8.182 1.00 20.13 O HETATM 2577 O HOH 147 5.551 -12.781 -15.252 1.00 37.98 O HETATM 2578 O HOH 148 27.299 -5.522 -28.607 1.00 31.97 O HETATM 2579 O HOH 149 10.755 -12.651 -28.542 1.00 34.18 O HETATM 2580 O HOH 150 22.259 19.554 -32.653 1.00 36.74 O HETATM 2581 O HOH 151 -0.371 4.771 -22.797 1.00 20.30 O HETATM 2582 O HOH 152 11.202 15.095 -7.026 1.00 29.62 O HETATM 2583 O HOH 153 -0.344 5.501 -25.673 1.00 29.44 O HETATM 2584 O HOH 154 18.344 -10.111 -6.657 1.00 24.79 O HETATM 2585 O HOH 155 3.863 17.705 -2.395 1.00 23.60 O HETATM 2586 O HOH 156 2.077 17.255 -0.272 1.00 22.63 O HETATM 2587 O HOH 157 25.508 -6.583 -30.380 1.00 17.25 O HETATM 2588 O HOH 158 27.406 14.035 -30.171 1.00 27.18 O HETATM 2589 O HOH 159 23.165 6.991 -34.157 1.00 25.16 O HETATM 2590 O HOH 160 18.785 -13.117 -17.819 1.00 21.97 O HETATM 2591 O HOH 161 19.997 17.204 -25.912 1.00 34.37 O HETATM 2592 O HOH 162 21.246 6.885 -20.256 1.00 26.78 O HETATM 2593 O HOH 163 20.870 -6.825 -42.673 1.00 32.38 O HETATM 2594 O HOH 164 -6.307 -9.163 -19.241 1.00 17.70 O HETATM 2595 O HOH 165 21.005 -8.258 -13.384 1.00 32.05 O HETATM 2596 O HOH 166 5.381 6.110 -31.518 1.00 30.65 O HETATM 2597 O HOH 167 6.346 11.953 -1.820 1.00 23.09 O HETATM 2598 O HOH 168 11.052 6.502 -0.378 1.00 46.43 O HETATM 2599 O HOH 169 27.986 14.868 -25.287 1.00 42.19 O HETATM 2600 O HOH 170 3.141 5.028 -30.446 1.00 41.89 O HETATM 2601 O HOH 171 24.904 -6.785 -34.710 1.00 33.51 O HETATM 2602 O HOH 172 10.112 1.611 -37.310 1.00 28.24 O HETATM 2603 O HOH 173 10.760 25.355 -34.052 1.00 36.11 O HETATM 2604 O HOH 174 20.247 20.233 -28.736 1.00 30.97 O HETATM 2605 C1 C A 1 9.995 3.227 1.704 1.00 -0.04 C HETATM 2606 C2 C A 1 10.783 2.930 2.792 1.00 0.12 C HETATM 2607 C3 C A 1 11.903 2.146 2.707 1.00 -0.04 C HETATM 2608 C4 C A 1 12.271 1.657 1.466 1.00 -0.04 C HETATM 2609 C5 C A 1 11.492 1.917 0.343 1.00 0.06 C HETATM 2610 C C A 1 10.368 2.726 0.465 1.00 -0.04 C HETATM 2611 H8 C A 1 9.780 2.967 -0.413 1.00 0.05 H HETATM 2612 N C A 1 11.856 1.380 -0.909 1.00 -0.26 N HETATM 2613 C6 C A 1 13.067 1.387 -1.542 1.00 0.15 C HETATM 2614 C7 C A 1 13.253 0.714 -2.757 1.00 0.10 C HETATM 2615 C8 C A 1 14.524 0.726 -3.307 1.00 0.02 C HETATM 2616 N1 C A 1 15.550 1.387 -2.746 1.00 -0.27 N HETATM 2617 C9 C A 1 15.281 1.990 -1.576 1.00 0.20 C HETATM 2618 N2 C A 1 14.092 2.024 -0.954 1.00 -0.23 N HETATM 2619 N3 C A 1 16.319 2.650 -0.978 1.00 -0.24 N HETATM 2620 C10 C A 1 16.357 3.361 0.244 1.00 0.07 C HETATM 2621 C11 C A 1 16.990 4.595 0.348 1.00 -0.03 C HETATM 2622 C12 C A 1 17.025 5.259 1.564 1.00 -0.06 C HETATM 2623 C13 C A 1 16.423 4.716 2.702 1.00 0.01 C HETATM 2624 C14 C A 1 15.799 3.472 2.576 1.00 0.05 C HETATM 2625 C15 C A 1 15.781 2.789 1.373 1.00 -0.02 C HETATM 2626 H6 C A 1 15.319 1.810 1.311 1.00 0.06 H HETATM 2627 CL C A 1 15.059 2.696 3.937 1.00 -0.07 CL HETATM 2628 C16 C A 1 16.522 5.485 3.988 1.00 0.06 C HETATM 2629 O1 C A 1 15.463 5.436 4.754 1.00 -0.56 O HETATM 2630 O C A 1 17.540 6.111 4.291 1.00 -0.56 O HETATM 2631 H5 C A 1 17.528 6.217 1.633 1.00 0.06 H HETATM 2632 H4 C A 1 17.457 5.038 -0.524 1.00 0.05 H HETATM 2633 H10 C A 1 17.209 2.626 -1.497 1.00 0.22 H HETATM 2634 H3 C A 1 14.698 0.180 -4.227 1.00 0.09 H HETATM 2635 CL1 C A 1 11.982 -0.176 -3.539 1.00 -0.07 CL HETATM 2636 H9 C A 1 11.096 0.913 -1.423 1.00 0.22 H HETATM 2637 H7 C A 1 13.174 1.066 1.368 1.00 0.05 H HETATM 2638 H2 C A 1 12.487 1.914 3.591 1.00 0.06 H HETATM 2639 F C A 1 10.414 3.398 4.020 1.00 -0.19 F HETATM 2640 H1 C A 1 9.105 3.837 1.812 1.00 0.06 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1216 1217 1223 1224 1225 CONECT 1223 1216 CONECT 1224 1216 CONECT 1225 1216 CONECT 2605 2606 2610 2640 CONECT 2606 2605 2607 2639 CONECT 2607 2606 2608 2638 CONECT 2608 2607 2609 2637 CONECT 2609 2608 2610 2612 CONECT 2610 2605 2609 2611 CONECT 2611 2610 CONECT 2612 2609 2613 2636 CONECT 2613 2612 2614 2618 CONECT 2614 2613 2615 2635 CONECT 2615 2614 2616 2634 CONECT 2616 2615 2617 CONECT 2617 2616 2618 2619 CONECT 2618 2613 2617 CONECT 2619 2617 2620 2633 CONECT 2620 2619 2621 2625 CONECT 2621 2620 2622 2632 CONECT 2622 2621 2623 2631 CONECT 2623 2622 2624 2628 CONECT 2624 2623 2625 2627 CONECT 2625 2620 2624 2626 CONECT 2626 2625 CONECT 2627 2624 CONECT 2628 2623 2629 2630 CONECT 2629 2628 CONECT 2630 2628 CONECT 2631 2622 CONECT 2632 2621 CONECT 2633 2619 CONECT 2634 2615 CONECT 2635 2614 CONECT 2636 2612 CONECT 2637 2608 CONECT 2638 2607 CONECT 2639 2606 CONECT 2640 2605 MASTER 0 0 0 0 0 0 0 0 2638 2 44 20 END
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Related entries of code: 6ew7
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6ew7
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
B-cell lymphoma 6 protein
Ligand Name
C1W
EC.Number
E.C.-.-.-.-
Resolution
1.6(Å)
Affinity (Kd/Ki/IC50)
IC50=2.9uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) ACS Chem. Biol. Vol. 13: pp. 3131-3141
Ligand Properties
Formula
C
1
7
H
1
1
Cl
2
FN
4
O
2
Molecular Weight
393.199
Exact Mass
392.024
No. of atoms
37
No. of bonds
39
Polar Surface Area
87.14
LOGP Value
5.92 (
Computed with XLOGP3
)
5.25 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 3
Canonical SMILES
Fc1ccc(cc1)Nc1nc(ncc1Cl)Nc1ccc(c(c1)Cl)C(=O)O
InChI String
InChI=1S/C17H11Cl2FN4O2/c18-13-7-11(5-6-12(13)16(25)26)23-17-21-8-14(19)15(24-17)22-10-3-1-9(20)2-4-10/h1-8H,(H,25,26)(H2,21,22,23,24)
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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