Browse entries in the PDBbind-CN Database
HEADER 6B0Y_COMPLEX COMPND 6B0Y_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 168 MET THR GLU TYR LYS LEU VAL VAL VAL GLY ALA CYS GLY SEQRES 2 A 168 VAL GLY LYS SER ALA LEU THR ILE GLN LEU ILE GLN ASN SEQRES 3 A 168 HIS PHE VAL ASP GLU TYR ASP PRO THR ILE GLU ASP SER SEQRES 4 A 168 TYR ARG LYS GLN VAL VAL ILE ASP GLY GLU THR SER LEU SEQRES 5 A 168 LEU ASP ILE LEU ASP THR ALA GLY GLN GLU GLU TYR SER SEQRES 6 A 168 ALA MET ARG ASP GLN TYR MET ARG THR GLY GLU GLY PHE SEQRES 7 A 168 LEU LEU VAL PHE ALA ILE ASN ASN THR LYS SER PHE GLU SEQRES 8 A 168 ASP ILE HIS HIS TYR ARG GLU GLN ILE LYS ARG VAL LYS SEQRES 9 A 168 ASP SER GLU ASP VAL PRO MET VAL LEU VAL GLY ASN LYS SEQRES 10 A 168 SER ASP LEU PRO SER ARG THR VAL ASP THR LYS GLN ALA SEQRES 11 A 168 GLN ASP LEU ALA ARG SER TYR GLY ILE PRO PHE ILE GLU SEQRES 12 A 168 THR SER ALA LYS THR ARG GLN GLY VAL ASP ASP ALA PHE SEQRES 13 A 168 TYR THR LEU VAL ARG GLU ILE ARG LYS HIS LYS GLU HET CA A 1 1 HET CA A 2 1 HET UNN A 335 48 ATOM 1 N MET A 1 -25.288 29.690 0.776 1.00 37.68 N ATOM 2 CA MET A 1 -26.122 29.892 1.998 1.00 36.47 C ATOM 3 C MET A 1 -25.495 29.267 3.261 1.00 33.22 C ATOM 4 O MET A 1 -24.657 29.876 3.957 1.00 31.85 O ATOM 5 CB MET A 1 -27.521 29.314 1.741 1.00 37.94 C ATOM 6 HN3 MET A 1 -25.171 28.671 0.602 1.00 0.00 H ATOM 7 HN2 MET A 1 -24.355 30.128 0.918 1.00 0.00 H ATOM 8 HN1 MET A 1 -25.759 30.131 -0.040 1.00 0.00 H ATOM 9 N THR A 2 -25.852 28.027 3.544 1.00 28.77 N ATOM 10 CA THR A 2 -25.423 27.432 4.787 1.00 25.09 C ATOM 11 C THR A 2 -24.195 26.577 4.472 1.00 21.04 C ATOM 12 O THR A 2 -24.148 25.893 3.431 1.00 20.99 O ATOM 13 CB THR A 2 -26.593 26.696 5.432 1.00 27.48 C ATOM 14 OG1 THR A 2 -26.196 26.161 6.671 1.00 28.87 O ATOM 15 CG2 THR A 2 -27.146 25.600 4.539 1.00 26.60 C ATOM 16 HG1 THR A 2 -26.960 25.685 7.084 1.00 0.00 H ATOM 17 H THR A 2 -26.437 27.484 2.877 1.00 0.00 H ATOM 18 N GLU A 3 -23.233 26.607 5.394 1.00 18.62 N ATOM 19 CA GLU A 3 -21.972 25.850 5.351 1.00 17.99 C ATOM 20 C GLU A 3 -22.132 24.669 6.338 1.00 16.75 C ATOM 21 O GLU A 3 -22.736 24.863 7.363 1.00 19.68 O ATOM 22 CB GLU A 3 -20.826 26.785 5.780 1.00 20.33 C ATOM 23 CG GLU A 3 -20.439 27.857 4.774 1.00 23.32 C ATOM 24 CD GLU A 3 -19.837 29.147 5.401 1.00 26.93 C ATOM 25 OE1 GLU A 3 -20.418 29.801 6.355 1.00 27.77 O ATOM 26 OE2 GLU A 3 -18.782 29.559 4.876 1.00 26.54 O ATOM 27 H GLU A 3 -23.388 27.221 6.219 1.00 0.00 H ATOM 28 N TYR A 4 -21.655 23.445 5.997 1.00 13.59 N ATOM 29 CA TYR A 4 -21.723 22.239 6.839 1.00 12.69 C ATOM 30 C TYR A 4 -20.301 21.654 6.797 1.00 12.43 C ATOM 31 O TYR A 4 -19.821 21.418 5.719 1.00 12.64 O ATOM 32 CB TYR A 4 -22.681 21.218 6.217 1.00 11.73 C ATOM 33 CG TYR A 4 -24.113 21.718 6.110 1.00 12.01 C ATOM 34 CD1 TYR A 4 -24.968 21.604 7.189 1.00 12.22 C ATOM 35 CD2 TYR A 4 -24.541 22.389 4.976 1.00 12.30 C ATOM 36 CE1 TYR A 4 -26.263 22.059 7.097 1.00 12.94 C ATOM 37 CE2 TYR A 4 -25.830 22.835 4.883 1.00 12.65 C ATOM 38 CZ TYR A 4 -26.672 22.694 5.936 1.00 12.69 C ATOM 39 OH TYR A 4 -27.957 23.191 5.856 1.00 14.85 O ATOM 40 HH TYR A 4 -28.435 23.006 6.703 1.00 0.00 H ATOM 41 H TYR A 4 -21.204 23.351 5.064 1.00 0.00 H ATOM 42 N LYS A 5 -19.685 21.391 7.943 1.00 11.26 N ATOM 43 CA LYS A 5 -18.442 20.697 8.012 1.00 11.19 C ATOM 44 C LYS A 5 -18.757 19.224 8.288 1.00 9.22 C ATOM 45 O LYS A 5 -19.316 18.889 9.320 1.00 8.79 O ATOM 46 CB LYS A 5 -17.579 21.240 9.117 1.00 12.29 C ATOM 47 CG LYS A 5 -16.282 20.459 9.202 1.00 14.73 C ATOM 48 CD LYS A 5 -15.392 20.778 8.015 1.00 15.79 C ATOM 49 CE LYS A 5 -13.961 20.494 8.373 1.00 16.61 C ATOM 50 NZ LYS A 5 -13.725 19.082 8.068 1.00 17.26 N ATOM 51 HZ1 LYS A 5 -14.372 18.494 8.631 1.00 0.00 H ATOM 52 HZ2 LYS A 5 -13.895 18.914 7.056 1.00 0.00 H ATOM 53 HZ3 LYS A 5 -12.741 18.838 8.301 1.00 0.00 H ATOM 54 H LYS A 5 -20.129 21.705 8.830 1.00 0.00 H ATOM 55 N LEU A 6 -18.468 18.374 7.313 1.00 8.60 N ATOM 56 CA LEU A 6 -18.745 16.930 7.371 1.00 8.98 C ATOM 57 C LEU A 6 -17.427 16.211 7.572 1.00 8.13 C ATOM 58 O LEU A 6 -16.371 16.647 6.997 1.00 10.06 O ATOM 59 CB LEU A 6 -19.366 16.420 6.090 1.00 8.62 C ATOM 60 CG LEU A 6 -20.579 17.152 5.597 1.00 10.37 C ATOM 61 CD1 LEU A 6 -21.222 16.392 4.419 1.00 10.83 C ATOM 62 CD2 LEU A 6 -21.667 17.568 6.540 1.00 11.77 C ATOM 63 H LEU A 6 -18.018 18.751 6.454 1.00 0.00 H ATOM 64 N VAL A 7 -17.370 15.153 8.397 1.00 6.60 N ATOM 65 CA VAL A 7 -16.108 14.417 8.670 1.00 6.55 C ATOM 66 C VAL A 7 -16.303 12.971 8.397 1.00 5.89 C ATOM 67 O VAL A 7 -17.338 12.377 8.831 1.00 6.26 O ATOM 68 CB VAL A 7 -15.659 14.632 10.111 1.00 6.74 C ATOM 69 CG1 VAL A 7 -14.397 13.853 10.388 1.00 6.91 C ATOM 70 CG2 VAL A 7 -15.562 16.125 10.468 1.00 7.39 C ATOM 71 H VAL A 7 -18.244 14.836 8.863 1.00 0.00 H ATOM 72 N VAL A 8 -15.438 12.349 7.608 1.00 5.15 N ATOM 73 CA VAL A 8 -15.584 10.941 7.245 1.00 5.27 C ATOM 74 C VAL A 8 -14.578 10.135 8.088 1.00 5.38 C ATOM 75 O VAL A 8 -13.407 10.409 8.064 1.00 5.79 O ATOM 76 CB VAL A 8 -15.276 10.756 5.777 1.00 5.50 C ATOM 77 CG1 VAL A 8 -15.460 9.328 5.331 1.00 5.30 C ATOM 78 CG2 VAL A 8 -16.086 11.664 4.893 1.00 5.38 C ATOM 79 H VAL A 8 -14.627 12.882 7.234 1.00 0.00 H ATOM 80 N VAL A 9 -15.127 9.229 8.919 1.00 5.28 N ATOM 81 CA VAL A 9 -14.347 8.448 9.883 1.00 5.60 C ATOM 82 C VAL A 9 -14.553 6.965 9.662 1.00 5.59 C ATOM 83 O VAL A 9 -15.507 6.560 8.960 1.00 6.07 O ATOM 84 CB VAL A 9 -14.565 8.846 11.343 1.00 6.56 C ATOM 85 CG1 VAL A 9 -14.310 10.333 11.537 1.00 6.94 C ATOM 86 CG2 VAL A 9 -15.917 8.410 11.780 1.00 6.79 C ATOM 87 H VAL A 9 -16.155 9.076 8.875 1.00 0.00 H ATOM 88 N GLY A 10 -13.699 6.107 10.247 1.00 5.74 N ATOM 89 CA GLY A 10 -13.782 4.666 10.082 1.00 6.33 C ATOM 90 C GLY A 10 -12.366 4.114 9.976 1.00 6.45 C ATOM 91 O GLY A 10 -11.364 4.869 9.679 1.00 6.38 O ATOM 92 H GLY A 10 -12.942 6.494 10.847 1.00 0.00 H ATOM 93 N ALA A 11 -12.289 2.796 10.082 1.00 7.00 N ATOM 94 CA ALA A 11 -11.043 2.066 10.143 1.00 7.56 C ATOM 95 C ALA A 11 -10.258 2.225 8.839 1.00 7.97 C ATOM 96 O ALA A 11 -10.793 2.540 7.733 1.00 7.14 O ATOM 97 CB ALA A 11 -11.335 0.598 10.424 1.00 8.12 C ATOM 98 H ALA A 11 -13.176 2.255 10.124 1.00 0.00 H ATOM 99 N CYS A 12 -8.988 1.878 8.883 1.00 9.04 N ATOM 100 CA CYS A 12 -8.185 1.865 7.643 1.00 9.44 C ATOM 101 C CYS A 12 -8.742 0.935 6.633 1.00 9.89 C ATOM 102 O CYS A 12 -9.090 -0.209 6.969 1.00 11.06 O ATOM 103 CB CYS A 12 -6.798 1.302 7.864 1.00 9.98 C ATOM 104 SG CYS A 12 -5.743 2.466 8.667 1.00 9.61 S ATOM 105 H CYS A 12 -8.551 1.614 9.789 1.00 0.00 H ATOM 106 N GLY A 13 -8.818 1.390 5.399 1.00 9.57 N ATOM 107 CA GLY A 13 -9.191 0.510 4.294 1.00 9.32 C ATOM 108 C GLY A 13 -10.638 0.371 4.009 1.00 9.13 C ATOM 109 O GLY A 13 -11.046 -0.424 3.143 1.00 9.65 O ATOM 110 H GLY A 13 -8.609 2.391 5.209 1.00 0.00 H ATOM 111 N VAL A 14 -11.431 1.099 4.739 1.00 8.21 N ATOM 112 CA VAL A 14 -12.908 0.961 4.493 1.00 7.43 C ATOM 113 C VAL A 14 -13.460 1.646 3.314 1.00 7.16 C ATOM 114 O VAL A 14 -14.542 1.261 2.826 1.00 7.30 O ATOM 115 CB VAL A 14 -13.781 1.319 5.708 1.00 7.19 C ATOM 116 CG1 VAL A 14 -13.428 0.466 6.889 1.00 7.37 C ATOM 117 CG2 VAL A 14 -13.673 2.794 6.052 1.00 6.75 C ATOM 118 H VAL A 14 -11.060 1.748 5.461 1.00 0.00 H ATOM 119 N GLY A 15 -12.703 2.603 2.810 1.00 6.62 N ATOM 120 CA GLY A 15 -13.129 3.424 1.685 1.00 6.40 C ATOM 121 C GLY A 15 -13.472 4.904 1.932 1.00 6.13 C ATOM 122 O GLY A 15 -14.188 5.542 1.179 1.00 6.33 O ATOM 123 H GLY A 15 -11.768 2.777 3.232 1.00 0.00 H ATOM 124 N LYS A 16 -12.923 5.481 2.981 1.00 6.20 N ATOM 125 CA LYS A 16 -13.153 6.856 3.258 1.00 5.73 C ATOM 126 C LYS A 16 -12.679 7.782 2.147 1.00 6.13 C ATOM 127 O LYS A 16 -13.428 8.624 1.711 1.00 5.45 O ATOM 128 CB LYS A 16 -12.433 7.240 4.559 1.00 5.69 C ATOM 129 CG LYS A 16 -12.915 6.532 5.795 1.00 5.75 C ATOM 130 CD LYS A 16 -12.136 6.989 7.001 1.00 5.86 C ATOM 131 CE LYS A 16 -10.671 6.689 7.099 1.00 6.27 C ATOM 132 NZ LYS A 16 -10.390 5.255 6.982 1.00 6.55 N ATOM 133 HZ1 LYS A 16 -10.877 4.744 7.746 1.00 0.00 H ATOM 134 HZ2 LYS A 16 -10.730 4.910 6.062 1.00 0.00 H ATOM 135 HZ3 LYS A 16 -9.365 5.097 7.056 1.00 0.00 H ATOM 136 H LYS A 16 -12.314 4.924 3.614 1.00 0.00 H ATOM 137 N SER A 17 -11.450 7.609 1.711 1.00 6.34 N ATOM 138 CA SER A 17 -11.014 8.475 0.619 1.00 6.82 C ATOM 139 C SER A 17 -11.748 8.153 -0.664 1.00 7.16 C ATOM 140 O SER A 17 -12.076 9.057 -1.466 1.00 7.12 O ATOM 141 CB SER A 17 -9.544 8.453 0.391 1.00 7.40 C ATOM 142 OG SER A 17 -8.783 8.774 1.540 1.00 7.86 O ATOM 143 HG SER A 17 -9.020 9.685 1.847 1.00 0.00 H ATOM 144 H SER A 17 -10.820 6.891 2.123 1.00 0.00 H ATOM 145 N ALA A 18 -11.974 6.874 -0.924 1.00 7.42 N ATOM 146 CA ALA A 18 -12.627 6.512 -2.184 1.00 6.97 C ATOM 147 C ALA A 18 -14.035 7.120 -2.240 1.00 7.00 C ATOM 148 O ALA A 18 -14.501 7.624 -3.276 1.00 8.27 O ATOM 149 CB ALA A 18 -12.702 5.017 -2.375 1.00 6.90 C ATOM 150 H ALA A 18 -11.692 6.139 -0.244 1.00 0.00 H ATOM 151 N LEU A 19 -14.778 7.125 -1.112 1.00 6.53 N ATOM 152 CA LEU A 19 -16.089 7.756 -1.090 1.00 6.94 C ATOM 153 C LEU A 19 -16.004 9.255 -1.349 1.00 7.10 C ATOM 154 O LEU A 19 -16.768 9.833 -2.100 1.00 7.76 O ATOM 155 CB LEU A 19 -16.713 7.529 0.269 1.00 6.81 C ATOM 156 CG LEU A 19 -17.275 6.119 0.440 1.00 7.11 C ATOM 157 CD1 LEU A 19 -17.626 5.832 1.891 1.00 7.44 C ATOM 158 CD2 LEU A 19 -18.486 5.901 -0.383 1.00 7.49 C ATOM 159 H LEU A 19 -14.409 6.673 -0.251 1.00 0.00 H ATOM 160 N THR A 20 -15.082 9.909 -0.639 1.00 6.73 N ATOM 161 CA THR A 20 -14.965 11.354 -0.697 1.00 7.52 C ATOM 162 C THR A 20 -14.539 11.773 -2.119 1.00 7.63 C ATOM 163 O THR A 20 -15.092 12.693 -2.679 1.00 7.68 O ATOM 164 CB THR A 20 -13.926 11.843 0.300 1.00 7.88 C ATOM 165 OG1 THR A 20 -14.319 11.425 1.631 1.00 7.99 O ATOM 166 CG2 THR A 20 -13.868 13.363 0.249 1.00 9.05 C ATOM 167 HG1 THR A 20 -14.375 10.437 1.662 1.00 0.00 H ATOM 168 H THR A 20 -14.433 9.371 -0.030 1.00 0.00 H ATOM 169 N ILE A 21 -13.582 11.066 -2.698 1.00 7.53 N ATOM 170 CA ILE A 21 -13.064 11.470 -4.059 1.00 8.34 C ATOM 171 C ILE A 21 -14.143 11.187 -5.085 1.00 8.94 C ATOM 172 O ILE A 21 -14.316 11.912 -6.074 1.00 9.09 O ATOM 173 CB ILE A 21 -11.786 10.690 -4.333 1.00 9.34 C ATOM 174 CG1 ILE A 21 -10.665 11.295 -3.439 1.00 10.06 C ATOM 175 CG2 ILE A 21 -11.329 10.884 -5.774 1.00 9.66 C ATOM 176 CD1 ILE A 21 -9.454 10.421 -3.242 1.00 11.05 C ATOM 177 H ILE A 21 -13.187 10.233 -2.217 1.00 0.00 H ATOM 178 N GLN A 22 -14.957 10.122 -4.880 1.00 8.56 N ATOM 179 CA GLN A 22 -16.110 9.918 -5.779 1.00 9.72 C ATOM 180 C GLN A 22 -17.047 11.068 -5.705 1.00 10.17 C ATOM 181 O GLN A 22 -17.533 11.592 -6.736 1.00 10.87 O ATOM 182 CB GLN A 22 -16.874 8.681 -5.398 1.00 10.67 C ATOM 183 CG GLN A 22 -16.688 7.433 -6.131 1.00 13.18 C ATOM 184 CD GLN A 22 -17.004 7.454 -7.661 1.00 12.94 C ATOM 185 OE1 GLN A 22 -17.310 8.459 -8.317 1.00 14.56 O ATOM 186 NE2 GLN A 22 -16.787 6.349 -8.193 1.00 13.42 N ATOM 187 HE22 GLN A 22 -16.532 5.530 -7.605 1.00 0.00 H ATOM 188 HE21 GLN A 22 -16.860 6.245 -9.225 1.00 0.00 H ATOM 189 H GLN A 22 -14.772 9.459 -4.101 1.00 0.00 H ATOM 190 N LEU A 23 -17.388 11.506 -4.502 1.00 9.22 N ATOM 191 CA LEU A 23 -18.311 12.555 -4.354 1.00 10.16 C ATOM 192 C LEU A 23 -17.788 13.898 -5.076 1.00 10.69 C ATOM 193 O LEU A 23 -18.565 14.610 -5.769 1.00 11.50 O ATOM 194 CB LEU A 23 -18.601 12.838 -2.882 1.00 10.35 C ATOM 195 CG LEU A 23 -19.508 14.021 -2.576 1.00 12.24 C ATOM 196 CD1 LEU A 23 -20.982 13.664 -2.741 1.00 12.75 C ATOM 197 CD2 LEU A 23 -19.287 14.667 -1.229 1.00 13.07 C ATOM 198 H LEU A 23 -16.968 11.068 -3.657 1.00 0.00 H ATOM 199 N ILE A 24 -16.510 14.178 -4.844 1.00 10.32 N ATOM 200 CA ILE A 24 -15.908 15.436 -5.226 1.00 11.15 C ATOM 201 C ILE A 24 -15.459 15.420 -6.663 1.00 10.87 C ATOM 202 O ILE A 24 -15.732 16.377 -7.364 1.00 12.36 O ATOM 203 CB ILE A 24 -14.707 15.777 -4.338 1.00 11.19 C ATOM 204 CG1 ILE A 24 -15.146 15.910 -2.845 1.00 11.61 C ATOM 205 CG2 ILE A 24 -13.976 17.012 -4.883 1.00 12.23 C ATOM 206 CD1 ILE A 24 -16.053 17.040 -2.508 1.00 12.71 C ATOM 207 H ILE A 24 -15.920 13.465 -4.369 1.00 0.00 H ATOM 208 N GLN A 25 -14.825 14.347 -7.126 1.00 11.00 N ATOM 209 CA GLN A 25 -14.152 14.325 -8.412 1.00 11.78 C ATOM 210 C GLN A 25 -14.759 13.313 -9.333 1.00 12.69 C ATOM 211 O GLN A 25 -14.334 13.175 -10.495 1.00 13.64 O ATOM 212 CB GLN A 25 -12.662 14.012 -8.264 1.00 11.69 C ATOM 213 CG GLN A 25 -11.924 15.123 -7.534 1.00 13.11 C ATOM 214 CD GLN A 25 -10.427 14.868 -7.389 1.00 13.30 C ATOM 215 OE1 GLN A 25 -9.895 13.873 -7.870 1.00 15.17 O ATOM 216 NE2 GLN A 25 -9.765 15.798 -6.814 1.00 14.65 N ATOM 217 HE22 GLN A 25 -10.261 16.623 -6.421 1.00 0.00 H ATOM 218 HE21 GLN A 25 -8.730 15.730 -6.739 1.00 0.00 H ATOM 219 H GLN A 25 -14.811 13.487 -6.542 1.00 0.00 H ATOM 220 N ASN A 26 -15.763 12.571 -8.900 1.00 12.96 N ATOM 221 CA ASN A 26 -16.484 11.602 -9.763 1.00 14.42 C ATOM 222 C ASN A 26 -15.632 10.504 -10.438 1.00 14.53 C ATOM 223 O ASN A 26 -15.850 10.167 -11.639 1.00 16.28 O ATOM 224 CB ASN A 26 -17.297 12.397 -10.798 1.00 16.19 C ATOM 225 CG ASN A 26 -18.216 13.367 -10.110 1.00 19.42 C ATOM 226 OD1 ASN A 26 -19.258 12.978 -9.573 1.00 23.49 O ATOM 227 ND2 ASN A 26 -17.795 14.605 -10.010 1.00 22.37 N ATOM 228 HD22 ASN A 26 -16.912 14.893 -10.477 1.00 0.00 H ATOM 229 HD21 ASN A 26 -18.344 15.299 -9.463 1.00 0.00 H ATOM 230 H ASN A 26 -16.062 12.670 -7.909 1.00 0.00 H ATOM 231 N HIS A 27 -14.618 9.981 -9.733 1.00 12.95 N ATOM 232 CA HIS A 27 -13.956 8.718 -10.155 1.00 13.60 C ATOM 233 C HIS A 27 -13.554 7.914 -8.978 1.00 12.87 C ATOM 234 O HIS A 27 -13.595 8.466 -7.845 1.00 12.61 O ATOM 235 CB HIS A 27 -12.696 9.039 -10.982 1.00 12.99 C ATOM 236 CG HIS A 27 -11.705 9.866 -10.247 1.00 12.41 C ATOM 237 ND1 HIS A 27 -10.557 9.375 -9.677 1.00 12.13 N ATOM 238 CD2 HIS A 27 -11.764 11.159 -9.876 1.00 11.80 C ATOM 239 CE1 HIS A 27 -9.916 10.335 -9.070 1.00 11.31 C ATOM 240 NE2 HIS A 27 -10.638 11.430 -9.169 1.00 11.88 N ATOM 241 H HIS A 27 -14.288 10.468 -8.875 1.00 0.00 H ATOM 242 N PHE A 28 -13.310 6.628 -9.217 1.00 13.53 N ATOM 243 CA PHE A 28 -12.955 5.649 -8.200 1.00 13.19 C ATOM 244 C PHE A 28 -11.469 5.436 -8.109 1.00 15.03 C ATOM 245 O PHE A 28 -10.866 5.002 -9.106 1.00 16.15 O ATOM 246 CB PHE A 28 -13.655 4.333 -8.507 1.00 13.46 C ATOM 247 CG PHE A 28 -13.293 3.229 -7.545 1.00 14.24 C ATOM 248 CD1 PHE A 28 -13.591 3.360 -6.203 1.00 13.61 C ATOM 249 CD2 PHE A 28 -12.833 1.989 -8.009 1.00 14.16 C ATOM 250 CE1 PHE A 28 -13.342 2.327 -5.326 1.00 13.38 C ATOM 251 CE2 PHE A 28 -12.541 0.980 -7.120 1.00 14.77 C ATOM 252 CZ PHE A 28 -12.817 1.138 -5.772 1.00 13.83 C ATOM 253 H PHE A 28 -13.378 6.299 -10.201 1.00 0.00 H ATOM 254 N VAL A 29 -10.846 5.822 -7.010 1.00 14.94 N ATOM 255 CA VAL A 29 -9.418 5.519 -6.803 1.00 17.00 C ATOM 256 C VAL A 29 -9.182 4.106 -6.238 1.00 19.21 C ATOM 257 O VAL A 29 -9.809 3.717 -5.163 1.00 20.64 O ATOM 258 CB VAL A 29 -8.737 6.544 -5.864 1.00 17.94 C ATOM 259 CG1 VAL A 29 -8.702 7.927 -6.491 1.00 18.83 C ATOM 260 CG2 VAL A 29 -9.382 6.523 -4.472 1.00 18.54 C ATOM 261 H VAL A 29 -11.370 6.347 -6.281 1.00 0.00 H ATOM 262 N ASP A 30 -8.313 3.342 -6.934 1.00 23.99 N ATOM 263 CA ASP A 30 -7.985 1.929 -6.607 1.00 24.12 C ATOM 264 C ASP A 30 -6.977 1.834 -5.466 1.00 21.67 C ATOM 265 O ASP A 30 -6.870 0.784 -4.783 1.00 24.00 O ATOM 266 CB ASP A 30 -7.351 1.203 -7.807 1.00 26.67 C ATOM 267 H ASP A 30 -7.841 3.771 -7.755 1.00 0.00 H ATOM 268 N GLU A 31 -6.168 2.862 -5.310 1.00 21.67 N ATOM 269 CA GLU A 31 -5.268 2.872 -4.179 1.00 22.78 C ATOM 270 C GLU A 31 -4.999 4.332 -4.040 1.00 22.78 C ATOM 271 O GLU A 31 -4.796 5.026 -5.064 1.00 28.59 O ATOM 272 CB GLU A 31 -3.994 2.079 -4.453 1.00 26.11 C ATOM 273 H GLU A 31 -6.177 3.651 -5.987 1.00 0.00 H ATOM 274 N TYR A 32 -5.108 4.821 -2.811 1.00 17.11 N ATOM 275 CA TYR A 32 -4.857 6.204 -2.499 1.00 14.36 C ATOM 276 C TYR A 32 -4.018 6.206 -1.176 1.00 13.72 C ATOM 277 O TYR A 32 -4.336 5.489 -0.217 1.00 13.80 O ATOM 278 CB TYR A 32 -6.161 6.993 -2.312 1.00 13.85 C ATOM 279 CG TYR A 32 -5.903 8.425 -2.148 1.00 13.57 C ATOM 280 CD1 TYR A 32 -5.387 9.160 -3.209 1.00 14.39 C ATOM 281 CD2 TYR A 32 -6.168 9.057 -0.949 1.00 12.48 C ATOM 282 CE1 TYR A 32 -5.112 10.514 -3.078 1.00 15.44 C ATOM 283 CE2 TYR A 32 -5.983 10.407 -0.804 1.00 12.83 C ATOM 284 CZ TYR A 32 -5.426 11.138 -1.891 1.00 14.13 C ATOM 285 OH TYR A 32 -5.150 12.489 -1.736 1.00 15.87 O ATOM 286 HH TYR A 32 -5.986 12.973 -1.519 1.00 0.00 H ATOM 287 H TYR A 32 -5.386 4.179 -2.042 1.00 0.00 H ATOM 288 N ASP A 33 -3.030 7.073 -1.112 1.00 13.53 N ATOM 289 CA ASP A 33 -2.154 7.279 0.065 1.00 13.36 C ATOM 290 C ASP A 33 -2.937 7.089 1.359 1.00 12.88 C ATOM 291 O ASP A 33 -3.850 7.871 1.596 1.00 12.48 O ATOM 292 CB ASP A 33 -1.622 8.678 -0.038 1.00 14.48 C ATOM 293 CG ASP A 33 -0.707 9.092 1.122 1.00 16.67 C ATOM 294 OD1 ASP A 33 -0.817 8.562 2.234 1.00 17.94 O ATOM 295 OD2 ASP A 33 -0.065 10.117 0.929 1.00 19.55 O ATOM 296 H ASP A 33 -2.850 7.659 -1.952 1.00 0.00 H ATOM 297 N PRO A 34 -2.558 6.089 2.193 1.00 13.31 N ATOM 298 CA PRO A 34 -3.445 5.683 3.316 1.00 13.80 C ATOM 299 C PRO A 34 -3.356 6.565 4.534 1.00 12.86 C ATOM 300 O PRO A 34 -4.122 6.353 5.501 1.00 11.94 O ATOM 301 CB PRO A 34 -2.962 4.285 3.619 1.00 16.03 C ATOM 302 CG PRO A 34 -1.550 4.326 3.209 1.00 16.36 C ATOM 303 CD PRO A 34 -1.628 5.012 1.877 1.00 15.12 C ATOM 304 N THR A 35 -2.399 7.458 4.555 1.00 12.17 N ATOM 305 CA THR A 35 -2.019 8.264 5.740 1.00 12.49 C ATOM 306 C THR A 35 -2.569 9.657 5.614 1.00 12.40 C ATOM 307 O THR A 35 -2.924 10.314 6.613 1.00 11.64 O ATOM 308 CB THR A 35 -0.382 8.453 5.790 1.00 13.17 C ATOM 309 H THR A 35 -1.866 7.614 3.676 1.00 0.00 H ATOM 310 N ILE A 36 -2.684 10.136 4.364 1.00 12.85 N ATOM 311 CA ILE A 36 -2.999 11.561 4.073 1.00 12.77 C ATOM 312 C ILE A 36 -4.408 11.969 4.532 1.00 13.03 C ATOM 313 O ILE A 36 -5.403 11.292 4.262 1.00 12.18 O ATOM 314 CB ILE A 36 -2.694 11.941 2.632 1.00 13.00 C ATOM 315 CG1 ILE A 36 -2.619 13.450 2.447 1.00 12.94 C ATOM 316 CG2 ILE A 36 -3.728 11.330 1.676 1.00 12.29 C ATOM 317 CD1 ILE A 36 -2.163 13.871 1.062 1.00 13.78 C ATOM 318 H ILE A 36 -2.547 9.483 3.566 1.00 0.00 H ATOM 319 N GLU A 37 -4.497 13.136 5.151 1.00 13.23 N ATOM 320 CA GLU A 37 -5.743 13.733 5.590 1.00 13.75 C ATOM 321 C GLU A 37 -5.914 15.076 4.906 1.00 15.69 C ATOM 322 O GLU A 37 -5.013 15.944 5.051 1.00 19.76 O ATOM 323 CB GLU A 37 -5.672 13.925 7.112 1.00 13.21 C ATOM 324 CG GLU A 37 -5.374 12.629 7.840 1.00 12.74 C ATOM 325 CD GLU A 37 -5.471 12.722 9.364 1.00 11.65 C ATOM 326 OE1 GLU A 37 -4.472 13.085 10.039 1.00 11.03 O ATOM 327 OE2 GLU A 37 -6.573 12.382 9.917 1.00 10.84 O ATOM 328 H GLU A 37 -3.616 13.658 5.334 1.00 0.00 H ATOM 329 N ASP A 38 -7.017 15.287 4.197 1.00 15.58 N ATOM 330 CA ASP A 38 -7.221 16.507 3.411 1.00 18.13 C ATOM 331 C ASP A 38 -8.686 16.828 3.578 1.00 17.35 C ATOM 332 O ASP A 38 -9.522 15.966 3.979 1.00 14.01 O ATOM 333 CB ASP A 38 -6.978 16.350 1.892 1.00 21.65 C ATOM 334 CG ASP A 38 -5.520 16.608 1.403 1.00 25.95 C ATOM 335 OD1 ASP A 38 -4.777 17.384 2.035 1.00 29.24 O ATOM 336 OD2 ASP A 38 -5.191 16.070 0.283 1.00 31.55 O ATOM 337 H ASP A 38 -7.762 14.561 4.200 1.00 0.00 H ATOM 338 N SER A 39 -8.997 18.065 3.311 1.00 15.57 N ATOM 339 CA SER A 39 -10.364 18.524 3.183 1.00 16.45 C ATOM 340 C SER A 39 -10.686 18.883 1.746 1.00 15.00 C ATOM 341 O SER A 39 -9.816 19.270 0.936 1.00 15.82 O ATOM 342 CB SER A 39 -10.686 19.674 4.132 1.00 19.70 C ATOM 343 OG SER A 39 -9.902 20.773 3.877 1.00 24.15 O ATOM 344 HG SER A 39 -10.137 21.498 4.509 1.00 0.00 H ATOM 345 H SER A 39 -8.228 18.754 3.184 1.00 0.00 H ATOM 346 N TYR A 40 -11.988 18.834 1.476 1.00 13.17 N ATOM 347 CA TYR A 40 -12.522 19.056 0.162 1.00 14.15 C ATOM 348 C TYR A 40 -13.762 19.900 0.267 1.00 15.89 C ATOM 349 O TYR A 40 -14.539 19.758 1.208 1.00 15.93 O ATOM 350 CB TYR A 40 -12.839 17.709 -0.473 1.00 15.59 C ATOM 351 CG TYR A 40 -11.689 16.726 -0.732 1.00 16.66 C ATOM 352 CD1 TYR A 40 -11.220 15.834 0.249 1.00 17.28 C ATOM 353 CD2 TYR A 40 -11.076 16.693 -1.998 1.00 19.13 C ATOM 354 CE1 TYR A 40 -10.175 14.920 -0.002 1.00 19.88 C ATOM 355 CE2 TYR A 40 -10.058 15.794 -2.256 1.00 21.58 C ATOM 356 CZ TYR A 40 -9.587 14.925 -1.285 1.00 22.06 C ATOM 357 OH TYR A 40 -8.574 14.066 -1.666 1.00 24.52 O ATOM 358 HH TYR A 40 -8.319 13.496 -0.897 1.00 0.00 H ATOM 359 H TYR A 40 -12.649 18.625 2.252 1.00 0.00 H ATOM 360 N ARG A 41 -14.059 20.705 -0.724 1.00 16.29 N ATOM 361 CA ARG A 41 -15.214 21.565 -0.659 1.00 16.98 C ATOM 362 C ARG A 41 -16.096 21.333 -1.836 1.00 16.57 C ATOM 363 O ARG A 41 -15.603 21.004 -2.911 1.00 17.78 O ATOM 364 CB ARG A 41 -14.822 23.031 -0.519 1.00 19.63 C ATOM 365 CG ARG A 41 -14.156 23.405 0.820 1.00 22.65 C ATOM 366 CD ARG A 41 -13.649 24.850 0.907 1.00 26.36 C ATOM 367 NE ARG A 41 -14.665 25.904 1.101 1.00 30.35 N ATOM 368 CZ ARG A 41 -15.241 26.649 0.147 1.00 36.76 C ATOM 369 NH1 ARG A 41 -15.001 26.483 -1.163 1.00 38.70 N ATOM 370 NH2 ARG A 41 -16.100 27.587 0.518 1.00 38.53 N ATOM 371 HE ARG A 41 -14.965 26.087 2.080 1.00 0.00 H ATOM 372 HH12 ARG A 41 -15.477 27.091 -1.860 1.00 0.00 H ATOM 373 HH11 ARG A 41 -14.339 25.747 -1.481 1.00 0.00 H ATOM 374 HH22 ARG A 41 -16.563 28.181 -0.199 1.00 0.00 H ATOM 375 HH21 ARG A 41 -16.311 27.729 1.526 1.00 0.00 H ATOM 376 H ARG A 41 -13.453 20.723 -1.569 1.00 0.00 H ATOM 377 N LYS A 42 -17.400 21.376 -1.597 1.00 14.67 N ATOM 378 CA LYS A 42 -18.388 21.206 -2.686 1.00 15.99 C ATOM 379 C LYS A 42 -19.691 21.852 -2.364 1.00 15.24 C ATOM 380 O LYS A 42 -20.210 21.732 -1.286 1.00 14.08 O ATOM 381 CB LYS A 42 -18.640 19.728 -2.969 1.00 16.03 C ATOM 382 CG LYS A 42 -19.421 19.537 -4.292 1.00 17.80 C ATOM 383 CD LYS A 42 -19.744 18.072 -4.472 1.00 20.44 C ATOM 384 CE LYS A 42 -20.327 17.824 -5.862 1.00 23.47 C ATOM 385 NZ LYS A 42 -20.892 16.481 -5.773 1.00 24.53 N ATOM 386 HZ1 LYS A 42 -20.138 15.804 -5.537 1.00 0.00 H ATOM 387 HZ2 LYS A 42 -21.622 16.462 -5.032 1.00 0.00 H ATOM 388 HZ3 LYS A 42 -21.317 16.224 -6.687 1.00 0.00 H ATOM 389 H LYS A 42 -17.735 21.532 -0.625 1.00 0.00 H ATOM 390 N GLN A 43 -20.278 22.549 -3.332 1.00 15.66 N ATOM 391 CA GLN A 43 -21.600 23.129 -3.195 1.00 16.77 C ATOM 392 C GLN A 43 -22.635 22.201 -3.819 1.00 17.33 C ATOM 393 O GLN A 43 -22.451 21.717 -4.950 1.00 17.72 O ATOM 394 CB GLN A 43 -21.619 24.441 -3.931 1.00 20.88 C ATOM 395 CG GLN A 43 -20.776 25.512 -3.295 1.00 25.78 C ATOM 396 CD GLN A 43 -21.624 26.753 -3.063 1.00 32.34 C ATOM 397 OE1 GLN A 43 -22.174 27.333 -4.013 1.00 35.68 O ATOM 398 NE2 GLN A 43 -21.798 27.118 -1.796 1.00 36.24 N ATOM 399 HE22 GLN A 43 -21.315 26.600 -1.035 1.00 0.00 H ATOM 400 HE21 GLN A 43 -22.417 27.921 -1.567 1.00 0.00 H ATOM 401 H GLN A 43 -19.766 22.684 -4.227 1.00 0.00 H ATOM 402 N VAL A 44 -23.717 21.956 -3.085 1.00 16.22 N ATOM 403 CA VAL A 44 -24.780 21.063 -3.533 1.00 18.37 C ATOM 404 C VAL A 44 -26.105 21.628 -3.122 1.00 16.23 C ATOM 405 O VAL A 44 -26.201 22.370 -2.202 1.00 18.37 O ATOM 406 CB VAL A 44 -24.631 19.682 -2.910 1.00 21.81 C ATOM 407 CG1 VAL A 44 -23.210 19.169 -3.057 1.00 23.64 C ATOM 408 CG2 VAL A 44 -24.907 19.722 -1.426 1.00 22.76 C ATOM 409 H VAL A 44 -23.808 22.418 -2.158 1.00 0.00 H ATOM 410 N VAL A 45 -27.136 21.320 -3.876 1.00 15.42 N ATOM 411 CA VAL A 45 -28.506 21.676 -3.505 1.00 15.15 C ATOM 412 C VAL A 45 -29.171 20.431 -2.954 1.00 16.04 C ATOM 413 O VAL A 45 -29.134 19.323 -3.560 1.00 16.45 O ATOM 414 CB VAL A 45 -29.319 22.243 -4.676 1.00 15.61 C ATOM 415 CG1 VAL A 45 -30.745 22.539 -4.209 1.00 15.62 C ATOM 416 CG2 VAL A 45 -28.616 23.458 -5.217 1.00 16.27 C ATOM 417 H VAL A 45 -26.973 20.806 -4.766 1.00 0.00 H ATOM 418 N ILE A 46 -29.699 20.583 -1.736 1.00 15.40 N ATOM 419 CA ILE A 46 -30.343 19.475 -1.033 1.00 16.56 C ATOM 420 C ILE A 46 -31.684 20.008 -0.505 1.00 15.97 C ATOM 421 O ILE A 46 -31.699 20.951 0.249 1.00 16.80 O ATOM 422 CB ILE A 46 -29.447 18.938 0.129 1.00 15.99 C ATOM 423 CG1 ILE A 46 -28.118 18.395 -0.406 1.00 16.37 C ATOM 424 CG2 ILE A 46 -30.217 17.861 0.958 1.00 16.40 C ATOM 425 CD1 ILE A 46 -27.016 18.347 0.616 1.00 16.04 C ATOM 426 H ILE A 46 -29.650 21.514 -1.276 1.00 0.00 H ATOM 427 N ASP A 47 -32.768 19.397 -0.915 1.00 18.53 N ATOM 428 CA ASP A 47 -34.105 19.838 -0.551 1.00 20.53 C ATOM 429 C ASP A 47 -34.344 21.340 -0.859 1.00 22.91 C ATOM 430 O ASP A 47 -34.916 22.084 -0.050 1.00 24.13 O ATOM 431 CB ASP A 47 -34.421 19.470 0.924 1.00 20.30 C ATOM 432 CG ASP A 47 -34.334 17.924 1.202 1.00 20.76 C ATOM 433 OD1 ASP A 47 -34.342 17.126 0.257 1.00 21.16 O ATOM 434 OD2 ASP A 47 -34.226 17.441 2.379 1.00 21.03 O ATOM 435 H ASP A 47 -32.668 18.562 -1.526 1.00 0.00 H ATOM 436 N GLY A 48 -33.833 21.787 -2.031 1.00 24.14 N ATOM 437 CA GLY A 48 -34.019 23.170 -2.506 1.00 25.11 C ATOM 438 C GLY A 48 -33.170 24.236 -1.850 1.00 24.61 C ATOM 439 O GLY A 48 -33.330 25.414 -2.115 1.00 26.39 O ATOM 440 H GLY A 48 -33.287 21.127 -2.620 1.00 0.00 H ATOM 441 N GLU A 49 -32.202 23.815 -1.037 1.00 22.80 N ATOM 442 CA GLU A 49 -31.423 24.685 -0.217 1.00 22.99 C ATOM 443 C GLU A 49 -29.946 24.449 -0.540 1.00 20.55 C ATOM 444 O GLU A 49 -29.504 23.318 -0.527 1.00 19.22 O ATOM 445 CB GLU A 49 -31.735 24.288 1.232 1.00 26.37 C ATOM 446 CG GLU A 49 -31.557 25.341 2.278 1.00 32.16 C ATOM 447 CD GLU A 49 -31.634 24.753 3.682 1.00 35.93 C ATOM 448 OE1 GLU A 49 -32.663 24.107 3.983 1.00 39.09 O ATOM 449 OE2 GLU A 49 -30.665 24.936 4.473 1.00 38.62 O ATOM 450 H GLU A 49 -32.003 22.795 -0.998 1.00 0.00 H ATOM 451 N THR A 50 -29.202 25.496 -0.860 1.00 21.62 N ATOM 452 CA THR A 50 -27.820 25.332 -1.232 1.00 21.18 C ATOM 453 C THR A 50 -26.986 25.189 0.029 1.00 19.62 C ATOM 454 O THR A 50 -27.102 25.950 1.011 1.00 19.58 O ATOM 455 CB THR A 50 -27.254 26.442 -2.097 1.00 23.33 C ATOM 456 OG1 THR A 50 -27.252 27.682 -1.385 1.00 29.18 O ATOM 457 CG2 THR A 50 -28.107 26.580 -3.298 1.00 21.56 C ATOM 458 HG1 THR A 50 -26.696 27.593 -0.571 1.00 0.00 H ATOM 459 H THR A 50 -29.620 26.448 -0.843 1.00 0.00 H ATOM 460 N SER A 51 -26.132 24.205 -0.058 1.00 18.50 N ATOM 461 CA SER A 51 -25.305 23.781 1.031 1.00 18.74 C ATOM 462 C SER A 51 -23.856 23.851 0.572 1.00 16.38 C ATOM 463 O SER A 51 -23.488 23.269 -0.431 1.00 14.88 O ATOM 464 CB SER A 51 -25.741 22.322 1.381 1.00 20.79 C ATOM 465 OG SER A 51 -27.183 22.244 1.469 1.00 21.13 O ATOM 466 HG SER A 51 -27.580 22.504 0.600 1.00 0.00 H ATOM 467 H SER A 51 -26.048 23.703 -0.965 1.00 0.00 H ATOM 468 N LEU A 52 -23.016 24.550 1.323 1.00 16.24 N ATOM 469 CA LEU A 52 -21.575 24.547 1.078 1.00 16.56 C ATOM 470 C LEU A 52 -20.905 23.550 2.009 1.00 15.34 C ATOM 471 O LEU A 52 -20.835 23.790 3.223 1.00 17.34 O ATOM 472 CB LEU A 52 -21.008 25.924 1.315 1.00 19.28 C ATOM 473 CG LEU A 52 -19.499 25.986 1.088 1.00 23.50 C ATOM 474 CD1 LEU A 52 -18.948 25.066 -0.008 1.00 25.24 C ATOM 475 CD2 LEU A 52 -19.210 27.463 0.797 1.00 26.30 C ATOM 476 H LEU A 52 -23.393 25.117 2.109 1.00 0.00 H ATOM 477 N LEU A 53 -20.478 22.455 1.435 1.00 13.09 N ATOM 478 CA LEU A 53 -19.899 21.329 2.256 1.00 13.45 C ATOM 479 C LEU A 53 -18.422 21.413 2.280 1.00 13.79 C ATOM 480 O LEU A 53 -17.773 21.615 1.294 1.00 14.09 O ATOM 481 CB LEU A 53 -20.246 19.992 1.703 1.00 13.06 C ATOM 482 CG LEU A 53 -21.695 19.742 1.317 1.00 14.83 C ATOM 483 CD1 LEU A 53 -21.838 18.332 0.796 1.00 15.82 C ATOM 484 CD2 LEU A 53 -22.612 20.042 2.441 1.00 15.26 C ATOM 485 H LEU A 53 -20.538 22.359 0.401 1.00 0.00 H ATOM 486 N ASP A 54 -17.902 21.246 3.467 1.00 11.87 N ATOM 487 CA ASP A 54 -16.483 21.149 3.726 1.00 13.01 C ATOM 488 C ASP A 54 -16.275 19.775 4.340 1.00 11.57 C ATOM 489 O ASP A 54 -16.791 19.509 5.421 1.00 11.40 O ATOM 490 CB ASP A 54 -16.088 22.265 4.673 1.00 16.54 C ATOM 491 CG ASP A 54 -14.603 22.303 4.929 1.00 21.03 C ATOM 492 OD1 ASP A 54 -13.853 21.455 4.382 1.00 23.80 O ATOM 493 OD2 ASP A 54 -14.198 23.234 5.677 1.00 30.33 O ATOM 494 H ASP A 54 -18.550 21.179 4.277 1.00 0.00 H ATOM 495 N ILE A 55 -15.573 18.878 3.657 1.00 10.16 N ATOM 496 CA ILE A 55 -15.485 17.492 4.007 1.00 11.00 C ATOM 497 C ILE A 55 -14.100 17.096 4.386 1.00 10.36 C ATOM 498 O ILE A 55 -13.209 17.224 3.507 1.00 12.25 O ATOM 499 CB ILE A 55 -15.977 16.638 2.857 1.00 11.98 C ATOM 500 CG1 ILE A 55 -17.426 16.966 2.489 1.00 13.74 C ATOM 501 CG2 ILE A 55 -15.836 15.160 3.160 1.00 11.63 C ATOM 502 CD1 ILE A 55 -17.828 16.360 1.201 1.00 14.68 C ATOM 503 H ILE A 55 -15.055 19.202 2.816 1.00 0.00 H ATOM 504 N LEU A 56 -13.858 16.680 5.632 1.00 10.20 N ATOM 505 CA LEU A 56 -12.588 16.226 6.103 1.00 12.03 C ATOM 506 C LEU A 56 -12.504 14.731 6.006 1.00 10.39 C ATOM 507 O LEU A 56 -13.328 14.015 6.572 1.00 9.04 O ATOM 508 CB LEU A 56 -12.414 16.610 7.538 1.00 14.26 C ATOM 509 CG LEU A 56 -11.113 16.192 8.179 1.00 17.57 C ATOM 510 CD1 LEU A 56 -9.842 16.454 7.371 1.00 21.33 C ATOM 511 CD2 LEU A 56 -11.075 16.929 9.502 1.00 19.09 C ATOM 512 H LEU A 56 -14.650 16.687 6.307 1.00 0.00 H ATOM 513 N ASP A 57 -11.562 14.252 5.233 1.00 9.81 N ATOM 514 CA ASP A 57 -11.258 12.865 5.086 1.00 9.57 C ATOM 515 C ASP A 57 -10.128 12.452 6.091 1.00 8.77 C ATOM 516 O ASP A 57 -8.986 12.845 5.922 1.00 10.14 O ATOM 517 CB ASP A 57 -10.765 12.724 3.668 1.00 10.18 C ATOM 518 CG ASP A 57 -10.388 11.307 3.265 1.00 11.40 C ATOM 519 OD1 ASP A 57 -10.924 10.364 3.854 1.00 11.07 O ATOM 520 OD2 ASP A 57 -9.552 11.133 2.304 1.00 13.21 O ATOM 521 H ASP A 57 -10.994 14.931 4.687 1.00 0.00 H ATOM 522 N THR A 58 -10.461 11.707 7.124 1.00 7.76 N ATOM 523 CA THR A 58 -9.536 11.387 8.251 1.00 7.66 C ATOM 524 C THR A 58 -8.657 10.209 7.869 1.00 8.15 C ATOM 525 O THR A 58 -9.112 9.285 7.157 1.00 8.84 O ATOM 526 CB THR A 58 -10.266 11.170 9.578 1.00 7.55 C ATOM 527 OG1 THR A 58 -11.100 10.021 9.460 1.00 7.89 O ATOM 528 CG2 THR A 58 -11.014 12.346 9.971 1.00 7.99 C ATOM 529 HG1 THR A 58 -11.758 10.165 8.734 1.00 0.00 H ATOM 530 H THR A 58 -11.425 11.319 7.157 1.00 0.00 H ATOM 531 N ALA A 59 -7.463 10.136 8.501 1.00 8.80 N ATOM 532 CA ALA A 59 -6.579 9.037 8.232 1.00 9.15 C ATOM 533 C ALA A 59 -5.548 9.049 9.339 1.00 9.50 C ATOM 534 O ALA A 59 -5.918 8.700 10.491 1.00 10.01 O ATOM 535 CB ALA A 59 -6.002 9.131 6.800 1.00 10.05 C ATOM 536 H ALA A 59 -7.186 10.874 9.180 1.00 0.00 H ATOM 537 N GLY A 60 -4.293 9.310 9.049 1.00 9.42 N ATOM 538 CA GLY A 60 -3.235 9.483 10.049 1.00 10.55 C ATOM 539 C GLY A 60 -2.983 8.196 10.791 1.00 9.15 C ATOM 540 O GLY A 60 -3.137 7.076 10.255 1.00 9.66 O ATOM 541 H GLY A 60 -4.034 9.400 8.046 1.00 0.00 H ATOM 542 N GLN A 61 -2.609 8.339 12.062 1.00 9.95 N ATOM 543 CA GLN A 61 -2.229 7.206 12.937 1.00 9.50 C ATOM 544 C GLN A 61 -3.271 6.828 13.972 1.00 10.46 C ATOM 545 O GLN A 61 -4.174 7.603 14.278 1.00 10.09 O ATOM 546 CB GLN A 61 -0.868 7.472 13.628 1.00 9.90 C ATOM 547 CG GLN A 61 0.304 7.306 12.663 1.00 10.40 C ATOM 548 CD GLN A 61 0.318 8.386 11.577 1.00 10.71 C ATOM 549 OE1 GLN A 61 0.341 9.560 11.861 1.00 12.17 O ATOM 550 NE2 GLN A 61 0.347 7.965 10.365 1.00 11.42 N ATOM 551 HE22 GLN A 61 0.325 6.944 10.169 1.00 0.00 H ATOM 552 HE21 GLN A 61 0.392 8.645 9.579 1.00 0.00 H ATOM 553 H GLN A 61 -2.582 9.299 12.461 1.00 0.00 H ATOM 554 N GLU A 62 -3.107 5.638 14.518 1.00 10.87 N ATOM 555 CA GLU A 62 -3.935 5.148 15.645 1.00 12.65 C ATOM 556 C GLU A 62 -3.391 5.706 16.915 1.00 12.99 C ATOM 557 O GLU A 62 -2.635 5.003 17.606 1.00 15.80 O ATOM 558 CB GLU A 62 -3.842 3.626 15.704 1.00 15.49 C ATOM 559 CG GLU A 62 -5.035 2.816 15.934 1.00 19.37 C ATOM 560 CD GLU A 62 -4.786 1.332 15.835 1.00 19.34 C ATOM 561 OE1 GLU A 62 -5.422 0.672 16.644 1.00 25.35 O ATOM 562 OE2 GLU A 62 -3.892 0.838 15.069 1.00 21.62 O ATOM 563 H GLU A 62 -2.364 5.016 14.141 1.00 0.00 H ATOM 564 N GLU A 63 -3.656 6.948 17.205 1.00 11.00 N ATOM 565 CA GLU A 63 -3.081 7.642 18.354 1.00 12.14 C ATOM 566 C GLU A 63 -3.976 8.832 18.722 1.00 12.41 C ATOM 567 O GLU A 63 -4.701 9.346 17.900 1.00 13.26 O ATOM 568 CB GLU A 63 -1.636 8.110 18.123 1.00 13.36 C ATOM 569 CG GLU A 63 -1.577 9.214 17.109 1.00 13.34 C ATOM 570 CD GLU A 63 -0.150 9.644 16.775 1.00 14.67 C ATOM 571 OE1 GLU A 63 0.795 9.430 17.573 1.00 16.67 O ATOM 572 OE2 GLU A 63 -0.090 10.158 15.650 1.00 16.61 O ATOM 573 H GLU A 63 -4.309 7.471 16.588 1.00 0.00 H ATOM 574 N TYR A 64 -4.022 9.201 19.972 1.00 11.72 N ATOM 575 CA TYR A 64 -4.643 10.461 20.361 1.00 12.73 C ATOM 576 C TYR A 64 -3.784 11.653 19.961 1.00 13.29 C ATOM 577 O TYR A 64 -2.554 11.626 20.148 1.00 14.40 O ATOM 578 CB TYR A 64 -4.842 10.482 21.904 1.00 13.74 C ATOM 579 CG TYR A 64 -4.961 11.918 22.488 1.00 14.62 C ATOM 580 CD1 TYR A 64 -6.163 12.649 22.414 1.00 16.04 C ATOM 581 CD2 TYR A 64 -3.881 12.523 23.085 1.00 15.31 C ATOM 582 CE1 TYR A 64 -6.226 13.928 22.925 1.00 15.80 C ATOM 583 CE2 TYR A 64 -3.938 13.796 23.565 1.00 16.47 C ATOM 584 CZ TYR A 64 -5.110 14.483 23.498 1.00 16.50 C ATOM 585 OH TYR A 64 -5.223 15.742 24.010 1.00 22.42 O ATOM 586 HH TYR A 64 -6.145 16.074 23.867 1.00 0.00 H ATOM 587 H TYR A 64 -3.609 8.587 20.703 1.00 0.00 H ATOM 588 N SER A 65 -4.379 12.736 19.507 1.00 14.19 N ATOM 589 CA SER A 65 -3.731 14.001 19.511 1.00 15.64 C ATOM 590 C SER A 65 -4.689 15.101 19.744 1.00 17.73 C ATOM 591 O SER A 65 -5.842 15.074 19.237 1.00 16.02 O ATOM 592 CB SER A 65 -2.890 14.298 18.233 1.00 18.34 C ATOM 593 OG SER A 65 -3.622 14.594 17.084 1.00 17.75 O ATOM 594 HG SER A 65 -3.000 14.766 16.333 1.00 0.00 H ATOM 595 H SER A 65 -5.348 12.664 19.136 1.00 0.00 H ATOM 596 N ALA A 66 -4.201 16.094 20.465 1.00 19.42 N ATOM 597 CA ALA A 66 -4.913 17.349 20.653 1.00 21.11 C ATOM 598 C ALA A 66 -5.200 18.028 19.287 1.00 18.72 C ATOM 599 O ALA A 66 -6.308 18.619 19.099 1.00 18.32 O ATOM 600 CB ALA A 66 -4.096 18.240 21.565 1.00 23.47 C ATOM 601 H ALA A 66 -3.272 15.974 20.916 1.00 0.00 H ATOM 602 N MET A 67 -4.319 17.895 18.306 1.00 18.60 N ATOM 603 CA MET A 67 -4.533 18.516 17.009 1.00 19.19 C ATOM 604 C MET A 67 -5.750 17.866 16.294 1.00 18.98 C ATOM 605 O MET A 67 -6.619 18.536 15.676 1.00 18.08 O ATOM 606 CB MET A 67 -3.271 18.385 16.122 1.00 22.60 C ATOM 607 H MET A 67 -3.457 17.335 18.467 1.00 0.00 H ATOM 608 N ARG A 68 -5.820 16.527 16.375 1.00 15.20 N ATOM 609 CA ARG A 68 -6.923 15.806 15.709 1.00 14.71 C ATOM 610 C ARG A 68 -8.209 16.186 16.452 1.00 13.73 C ATOM 611 O ARG A 68 -9.224 16.437 15.847 1.00 13.56 O ATOM 612 CB ARG A 68 -6.709 14.276 15.771 1.00 14.49 C ATOM 613 CG ARG A 68 -7.978 13.421 15.627 1.00 15.07 C ATOM 614 CD ARG A 68 -7.611 11.940 15.614 1.00 14.99 C ATOM 615 NE ARG A 68 -7.026 11.644 14.316 1.00 15.16 N ATOM 616 CZ ARG A 68 -6.361 10.571 13.922 1.00 16.84 C ATOM 617 NH1 ARG A 68 -6.121 9.563 14.699 1.00 17.68 N ATOM 618 NH2 ARG A 68 -5.991 10.536 12.637 1.00 17.95 N ATOM 619 HE ARG A 68 -7.148 12.382 13.594 1.00 0.00 H ATOM 620 HH12 ARG A 68 -5.593 8.743 14.339 1.00 0.00 H ATOM 621 HH11 ARG A 68 -6.456 9.574 15.683 1.00 0.00 H ATOM 622 HH22 ARG A 68 -5.465 9.717 12.269 1.00 0.00 H ATOM 623 HH21 ARG A 68 -6.229 11.327 12.006 1.00 0.00 H ATOM 624 H ARG A 68 -5.098 15.999 16.906 1.00 0.00 H ATOM 625 N ASP A 69 -8.201 16.223 17.775 1.00 13.01 N ATOM 626 CA ASP A 69 -9.373 16.604 18.530 1.00 13.93 C ATOM 627 C ASP A 69 -9.880 17.969 18.113 1.00 12.89 C ATOM 628 O ASP A 69 -11.059 18.153 17.941 1.00 12.21 O ATOM 629 CB ASP A 69 -9.066 16.638 19.995 1.00 14.72 C ATOM 630 CG ASP A 69 -9.081 15.294 20.680 1.00 15.27 C ATOM 631 OD1 ASP A 69 -9.133 14.212 20.037 1.00 15.35 O ATOM 632 OD2 ASP A 69 -9.082 15.397 21.964 1.00 18.11 O ATOM 633 H ASP A 69 -7.330 15.972 18.284 1.00 0.00 H ATOM 634 N GLN A 70 -8.971 18.888 17.921 1.00 14.23 N ATOM 635 CA GLN A 70 -9.296 20.254 17.471 1.00 15.97 C ATOM 636 C GLN A 70 -10.097 20.219 16.157 1.00 14.68 C ATOM 637 O GLN A 70 -11.165 20.858 16.003 1.00 15.71 O ATOM 638 CB GLN A 70 -8.027 21.132 17.315 1.00 20.06 C ATOM 639 CG GLN A 70 -8.322 22.605 16.937 1.00 25.92 C ATOM 640 CD GLN A 70 -7.220 23.580 17.363 1.00 32.05 C ATOM 641 OE1 GLN A 70 -6.069 23.182 17.638 1.00 38.70 O ATOM 642 NE2 GLN A 70 -7.586 24.857 17.495 1.00 38.13 N ATOM 643 HE22 GLN A 70 -8.555 25.148 17.255 1.00 0.00 H ATOM 644 HE21 GLN A 70 -6.902 25.561 17.838 1.00 0.00 H ATOM 645 H GLN A 70 -7.975 18.645 18.093 1.00 0.00 H ATOM 646 N TYR A 71 -9.596 19.463 15.194 1.00 13.21 N ATOM 647 CA TYR A 71 -10.242 19.380 13.873 1.00 13.94 C ATOM 648 C TYR A 71 -11.540 18.612 14.002 1.00 11.80 C ATOM 649 O TYR A 71 -12.560 19.006 13.428 1.00 12.57 O ATOM 650 CB TYR A 71 -9.330 18.729 12.842 1.00 16.55 C ATOM 651 CG TYR A 71 -8.304 19.682 12.239 1.00 22.54 C ATOM 652 CD1 TYR A 71 -7.125 19.994 12.923 1.00 27.87 C ATOM 653 CD2 TYR A 71 -8.535 20.290 11.016 1.00 27.36 C ATOM 654 CE1 TYR A 71 -6.191 20.869 12.375 1.00 29.76 C ATOM 655 CE2 TYR A 71 -7.617 21.162 10.457 1.00 31.51 C ATOM 656 CZ TYR A 71 -6.452 21.443 11.134 1.00 32.26 C ATOM 657 OH TYR A 71 -5.544 22.309 10.572 1.00 38.80 O ATOM 658 HH TYR A 71 -4.766 22.407 11.176 1.00 0.00 H ATOM 659 H TYR A 71 -8.729 18.917 15.373 1.00 0.00 H ATOM 660 N MET A 72 -11.588 17.577 14.831 1.00 10.26 N ATOM 661 CA MET A 72 -12.823 16.823 14.951 1.00 9.35 C ATOM 662 C MET A 72 -13.937 17.645 15.605 1.00 10.57 C ATOM 663 O MET A 72 -15.104 17.513 15.285 1.00 10.21 O ATOM 664 CB MET A 72 -12.609 15.490 15.735 1.00 9.42 C ATOM 665 CG MET A 72 -11.652 14.507 15.054 1.00 9.40 C ATOM 666 SD MET A 72 -12.173 14.051 13.317 1.00 10.98 S ATOM 667 CE MET A 72 -11.252 15.244 12.377 1.00 13.92 C ATOM 668 H MET A 72 -10.751 17.309 15.388 1.00 0.00 H ATOM 669 N ARG A 73 -13.530 18.562 16.461 1.00 11.42 N ATOM 670 CA ARG A 73 -14.513 19.471 17.094 1.00 13.41 C ATOM 671 C ARG A 73 -15.189 20.387 16.154 1.00 13.62 C ATOM 672 O ARG A 73 -16.315 20.900 16.417 1.00 16.60 O ATOM 673 CB ARG A 73 -13.859 20.269 18.222 1.00 15.00 C ATOM 674 CG ARG A 73 -14.010 19.564 19.480 1.00 16.54 C ATOM 675 CD ARG A 73 -13.585 20.378 20.699 1.00 18.90 C ATOM 676 NE ARG A 73 -13.184 19.367 21.651 1.00 20.09 N ATOM 677 CZ ARG A 73 -11.939 19.048 21.973 1.00 20.40 C ATOM 678 NH1 ARG A 73 -11.778 18.020 22.777 1.00 23.50 N ATOM 679 NH2 ARG A 73 -10.864 19.758 21.549 1.00 20.86 N ATOM 680 HE ARG A 73 -13.944 18.841 22.128 1.00 0.00 H ATOM 681 HH12 ARG A 73 -10.821 17.727 23.061 1.00 0.00 H ATOM 682 HH11 ARG A 73 -12.607 17.500 23.129 1.00 0.00 H ATOM 683 HH22 ARG A 73 -9.906 19.467 21.829 1.00 0.00 H ATOM 684 HH21 ARG A 73 -10.998 20.593 20.944 1.00 0.00 H ATOM 685 H ARG A 73 -12.519 18.647 16.691 1.00 0.00 H ATOM 686 N THR A 74 -14.519 20.660 15.074 1.00 12.16 N ATOM 687 CA THR A 74 -15.108 21.497 14.049 1.00 12.80 C ATOM 688 C THR A 74 -16.203 20.781 13.279 1.00 11.39 C ATOM 689 O THR A 74 -17.043 21.452 12.601 1.00 12.00 O ATOM 690 CB THR A 74 -14.084 22.079 13.063 1.00 13.92 C ATOM 691 OG1 THR A 74 -13.567 21.091 12.134 1.00 14.86 O ATOM 692 CG2 THR A 74 -12.971 22.753 13.745 1.00 14.45 C ATOM 693 HG1 THR A 74 -13.121 20.366 12.639 1.00 0.00 H ATOM 694 H THR A 74 -13.560 20.278 14.946 1.00 0.00 H ATOM 695 N GLY A 75 -16.228 19.459 13.340 1.00 9.48 N ATOM 696 CA GLY A 75 -17.201 18.735 12.505 1.00 8.55 C ATOM 697 C GLY A 75 -18.581 18.932 13.039 1.00 8.52 C ATOM 698 O GLY A 75 -18.782 18.848 14.241 1.00 8.91 O ATOM 699 H GLY A 75 -15.575 18.943 13.964 1.00 0.00 H ATOM 700 N GLU A 76 -19.522 19.109 12.122 1.00 8.35 N ATOM 701 CA GLU A 76 -20.924 19.226 12.449 1.00 8.91 C ATOM 702 C GLU A 76 -21.708 17.948 12.182 1.00 8.18 C ATOM 703 O GLU A 76 -22.834 17.837 12.670 1.00 8.13 O ATOM 704 CB GLU A 76 -21.472 20.377 11.652 1.00 9.91 C ATOM 705 CG GLU A 76 -20.828 21.653 12.136 1.00 10.89 C ATOM 706 CD GLU A 76 -21.145 22.841 11.268 1.00 12.24 C ATOM 707 OE1 GLU A 76 -21.126 22.718 10.028 1.00 14.11 O ATOM 708 OE2 GLU A 76 -21.468 23.898 11.855 1.00 13.51 O ATOM 709 H GLU A 76 -19.238 19.166 11.123 1.00 0.00 H ATOM 710 N GLY A 77 -21.114 17.008 11.432 1.00 7.23 N ATOM 711 CA GLY A 77 -21.697 15.702 11.182 1.00 6.86 C ATOM 712 C GLY A 77 -20.634 14.745 10.781 1.00 5.84 C ATOM 713 O GLY A 77 -19.624 15.158 10.200 1.00 5.85 O ATOM 714 H GLY A 77 -20.189 17.226 11.008 1.00 0.00 H ATOM 715 N PHE A 78 -20.838 13.436 11.066 1.00 5.54 N ATOM 716 CA PHE A 78 -19.882 12.428 10.799 1.00 5.38 C ATOM 717 C PHE A 78 -20.466 11.239 10.048 1.00 5.39 C ATOM 718 O PHE A 78 -21.549 10.726 10.389 1.00 5.49 O ATOM 719 CB PHE A 78 -19.261 11.940 12.163 1.00 5.63 C ATOM 720 CG PHE A 78 -18.613 13.039 12.932 1.00 5.70 C ATOM 721 CD1 PHE A 78 -19.367 14.053 13.587 1.00 6.44 C ATOM 722 CD2 PHE A 78 -17.208 13.128 12.959 1.00 6.12 C ATOM 723 CE1 PHE A 78 -18.753 15.094 14.274 1.00 7.05 C ATOM 724 CE2 PHE A 78 -16.603 14.126 13.703 1.00 6.35 C ATOM 725 CZ PHE A 78 -17.326 15.111 14.263 1.00 6.63 C ATOM 726 H PHE A 78 -21.741 13.159 11.502 1.00 0.00 H ATOM 727 N LEU A 79 -19.717 10.768 9.032 1.00 5.34 N ATOM 728 CA LEU A 79 -19.987 9.476 8.391 1.00 5.80 C ATOM 729 C LEU A 79 -19.187 8.441 9.106 1.00 6.07 C ATOM 730 O LEU A 79 -17.945 8.587 9.178 1.00 7.18 O ATOM 731 CB LEU A 79 -19.593 9.531 6.901 1.00 6.66 C ATOM 732 CG LEU A 79 -20.430 10.372 5.978 1.00 7.75 C ATOM 733 CD1 LEU A 79 -19.924 10.067 4.531 1.00 8.64 C ATOM 734 CD2 LEU A 79 -21.951 10.175 6.113 1.00 7.71 C ATOM 735 H LEU A 79 -18.919 11.341 8.690 1.00 0.00 H ATOM 736 N LEU A 80 -19.852 7.450 9.693 1.00 5.70 N ATOM 737 CA LEU A 80 -19.227 6.324 10.320 1.00 6.26 C ATOM 738 C LEU A 80 -19.117 5.202 9.348 1.00 5.65 C ATOM 739 O LEU A 80 -20.126 4.536 9.088 1.00 5.16 O ATOM 740 CB LEU A 80 -20.050 5.854 11.555 1.00 7.43 C ATOM 741 CG LEU A 80 -20.417 6.874 12.599 1.00 9.55 C ATOM 742 CD1 LEU A 80 -21.337 6.269 13.645 1.00 10.29 C ATOM 743 CD2 LEU A 80 -19.119 7.234 13.280 1.00 12.07 C ATOM 744 H LEU A 80 -20.891 7.495 9.697 1.00 0.00 H ATOM 745 N VAL A 81 -17.957 5.075 8.687 1.00 5.03 N ATOM 746 CA VAL A 81 -17.832 4.122 7.583 1.00 4.97 C ATOM 747 C VAL A 81 -17.186 2.796 8.028 1.00 5.02 C ATOM 748 O VAL A 81 -16.136 2.752 8.686 1.00 5.24 O ATOM 749 CB VAL A 81 -17.002 4.702 6.433 1.00 4.85 C ATOM 750 CG1 VAL A 81 -17.017 3.736 5.213 1.00 5.00 C ATOM 751 CG2 VAL A 81 -17.464 6.087 6.057 1.00 4.90 C ATOM 752 H VAL A 81 -17.140 5.658 8.961 1.00 0.00 H ATOM 753 N PHE A 82 -17.848 1.685 7.631 1.00 5.75 N ATOM 754 CA PHE A 82 -17.272 0.373 7.722 1.00 6.18 C ATOM 755 C PHE A 82 -17.371 -0.297 6.359 1.00 6.53 C ATOM 756 O PHE A 82 -18.081 0.225 5.524 1.00 6.66 O ATOM 757 CB PHE A 82 -17.878 -0.491 8.831 1.00 6.62 C ATOM 758 CG PHE A 82 -19.270 -0.950 8.571 1.00 6.66 C ATOM 759 CD1 PHE A 82 -20.346 -0.113 8.860 1.00 6.89 C ATOM 760 CD2 PHE A 82 -19.528 -2.208 8.042 1.00 7.13 C ATOM 761 CE1 PHE A 82 -21.617 -0.509 8.585 1.00 7.31 C ATOM 762 CE2 PHE A 82 -20.853 -2.637 7.780 1.00 7.25 C ATOM 763 CZ PHE A 82 -21.872 -1.755 8.022 1.00 7.09 C ATOM 764 H PHE A 82 -18.809 1.785 7.246 1.00 0.00 H ATOM 765 N ALA A 83 -16.635 -1.380 6.123 1.00 7.20 N ATOM 766 CA ALA A 83 -16.741 -2.185 4.917 1.00 8.35 C ATOM 767 C ALA A 83 -17.510 -3.449 5.201 1.00 8.78 C ATOM 768 O ALA A 83 -17.270 -4.139 6.203 1.00 9.08 O ATOM 769 CB ALA A 83 -15.387 -2.479 4.400 1.00 8.23 C ATOM 770 H ALA A 83 -15.943 -1.668 6.844 1.00 0.00 H ATOM 771 N ILE A 84 -18.442 -3.748 4.299 1.00 9.77 N ATOM 772 CA ILE A 84 -19.346 -4.886 4.551 1.00 11.75 C ATOM 773 C ILE A 84 -18.672 -6.255 4.465 1.00 12.85 C ATOM 774 O ILE A 84 -19.240 -7.259 4.938 1.00 12.99 O ATOM 775 CB ILE A 84 -20.567 -4.877 3.595 1.00 12.02 C ATOM 776 CG1 ILE A 84 -20.155 -4.918 2.134 1.00 14.07 C ATOM 777 CG2 ILE A 84 -21.485 -3.676 3.808 1.00 12.94 C ATOM 778 CD1 ILE A 84 -20.229 -6.257 1.506 1.00 16.51 C ATOM 779 H ILE A 84 -18.532 -3.187 3.428 1.00 0.00 H ATOM 780 N ASN A 85 -17.437 -6.286 3.991 1.00 13.54 N ATOM 781 CA ASN A 85 -16.619 -7.495 3.981 1.00 15.33 C ATOM 782 C ASN A 85 -15.544 -7.492 5.055 1.00 15.31 C ATOM 783 O ASN A 85 -14.586 -8.284 4.945 1.00 17.91 O ATOM 784 CB ASN A 85 -15.971 -7.695 2.592 1.00 16.14 C ATOM 785 CG ASN A 85 -14.951 -6.654 2.309 1.00 16.83 C ATOM 786 OD1 ASN A 85 -15.010 -5.581 2.876 1.00 14.42 O ATOM 787 ND2 ASN A 85 -13.973 -6.958 1.453 1.00 17.83 N ATOM 788 HD22 ASN A 85 -13.959 -7.888 0.988 1.00 0.00 H ATOM 789 HD21 ASN A 85 -13.225 -6.265 1.251 1.00 0.00 H ATOM 790 H ASN A 85 -17.030 -5.409 3.608 1.00 0.00 H ATOM 791 N ASN A 86 -15.629 -6.616 6.086 1.00 14.18 N ATOM 792 CA ASN A 86 -14.562 -6.488 7.094 1.00 15.07 C ATOM 793 C ASN A 86 -15.270 -6.350 8.451 1.00 14.84 C ATOM 794 O ASN A 86 -15.690 -5.259 8.900 1.00 11.96 O ATOM 795 CB ASN A 86 -13.690 -5.257 6.771 1.00 15.93 C ATOM 796 CG ASN A 86 -12.537 -4.979 7.762 1.00 17.88 C ATOM 797 OD1 ASN A 86 -12.525 -5.357 8.892 1.00 16.09 O ATOM 798 ND2 ASN A 86 -11.627 -4.133 7.310 1.00 23.02 N ATOM 799 HD22 ASN A 86 -11.657 -3.817 6.320 1.00 0.00 H ATOM 800 HD21 ASN A 86 -10.881 -3.784 7.945 1.00 0.00 H ATOM 801 H ASN A 86 -16.474 -6.015 6.168 1.00 0.00 H ATOM 802 N THR A 87 -15.419 -7.451 9.175 1.00 15.41 N ATOM 803 CA THR A 87 -16.093 -7.430 10.459 1.00 15.48 C ATOM 804 C THR A 87 -15.400 -6.604 11.522 1.00 14.98 C ATOM 805 O THR A 87 -16.069 -5.961 12.341 1.00 13.59 O ATOM 806 CB THR A 87 -16.330 -8.860 10.975 1.00 19.00 C ATOM 807 OG1 THR A 87 -15.103 -9.542 10.836 1.00 23.70 O ATOM 808 CG2 THR A 87 -17.353 -9.565 10.127 1.00 19.14 C ATOM 809 HG1 THR A 87 -14.836 -9.548 9.883 1.00 0.00 H ATOM 810 H THR A 87 -15.044 -8.351 8.813 1.00 0.00 H ATOM 811 N LYS A 88 -14.063 -6.571 11.496 1.00 14.17 N ATOM 812 CA LYS A 88 -13.346 -5.748 12.440 1.00 14.85 C ATOM 813 C LYS A 88 -13.755 -4.248 12.277 1.00 11.82 C ATOM 814 O LYS A 88 -13.889 -3.511 13.243 1.00 12.21 O ATOM 815 CB LYS A 88 -11.833 -5.859 12.279 1.00 16.98 C ATOM 816 CG LYS A 88 -11.114 -5.324 13.510 1.00 22.17 C ATOM 817 CD LYS A 88 -9.598 -5.488 13.347 1.00 27.17 C ATOM 818 CE LYS A 88 -8.809 -4.762 14.419 1.00 31.62 C ATOM 819 NZ LYS A 88 -7.430 -5.333 14.513 1.00 32.89 N ATOM 820 HZ1 LYS A 88 -7.490 -6.343 14.756 1.00 0.00 H ATOM 821 HZ2 LYS A 88 -6.948 -5.223 13.598 1.00 0.00 H ATOM 822 HZ3 LYS A 88 -6.897 -4.829 15.250 1.00 0.00 H ATOM 823 H LYS A 88 -13.541 -7.137 10.797 1.00 0.00 H ATOM 824 N SER A 89 -13.879 -3.834 11.030 1.00 10.26 N ATOM 825 CA SER A 89 -14.210 -2.409 10.771 1.00 8.99 C ATOM 826 C SER A 89 -15.603 -2.005 11.310 1.00 8.27 C ATOM 827 O SER A 89 -15.845 -0.893 11.774 1.00 8.19 O ATOM 828 CB SER A 89 -14.147 -2.000 9.314 1.00 9.06 C ATOM 829 OG SER A 89 -15.177 -2.561 8.502 1.00 8.15 O ATOM 830 HG SER A 89 -15.116 -3.549 8.529 1.00 0.00 H ATOM 831 H SER A 89 -13.747 -4.496 10.239 1.00 0.00 H ATOM 832 N PHE A 90 -16.524 -2.979 11.294 1.00 8.99 N ATOM 833 CA PHE A 90 -17.820 -2.840 11.933 1.00 8.85 C ATOM 834 C PHE A 90 -17.734 -2.814 13.472 1.00 9.60 C ATOM 835 O PHE A 90 -18.334 -1.926 14.078 1.00 9.19 O ATOM 836 CB PHE A 90 -18.788 -3.962 11.396 1.00 8.85 C ATOM 837 CG PHE A 90 -20.177 -3.884 11.966 1.00 9.28 C ATOM 838 CD1 PHE A 90 -21.023 -2.901 11.552 1.00 9.45 C ATOM 839 CD2 PHE A 90 -20.621 -4.772 12.900 1.00 10.60 C ATOM 840 CE1 PHE A 90 -22.275 -2.797 12.016 1.00 9.48 C ATOM 841 CE2 PHE A 90 -21.862 -4.643 13.446 1.00 10.87 C ATOM 842 CZ PHE A 90 -22.731 -3.690 12.942 1.00 10.34 C ATOM 843 H PHE A 90 -16.301 -3.869 10.805 1.00 0.00 H ATOM 844 N GLU A 91 -16.879 -3.668 14.064 1.00 12.11 N ATOM 845 CA GLU A 91 -16.676 -3.685 15.510 1.00 13.98 C ATOM 846 C GLU A 91 -16.138 -2.321 15.915 1.00 12.61 C ATOM 847 O GLU A 91 -16.504 -1.840 16.970 1.00 13.63 O ATOM 848 CB GLU A 91 -15.694 -4.762 15.961 1.00 18.81 C ATOM 849 CG GLU A 91 -15.984 -6.217 15.611 1.00 26.17 C ATOM 850 CD GLU A 91 -14.720 -7.103 15.788 1.00 32.48 C ATOM 851 OE1 GLU A 91 -14.673 -8.181 15.149 1.00 40.27 O ATOM 852 OE2 GLU A 91 -13.754 -6.720 16.541 1.00 39.30 O ATOM 853 H GLU A 91 -16.346 -4.337 13.473 1.00 0.00 H ATOM 854 N ASP A 92 -15.327 -1.710 15.028 1.00 10.87 N ATOM 855 CA ASP A 92 -14.649 -0.448 15.337 1.00 10.44 C ATOM 856 C ASP A 92 -15.592 0.735 15.352 1.00 8.23 C ATOM 857 O ASP A 92 -15.242 1.762 15.872 1.00 7.76 O ATOM 858 CB ASP A 92 -13.518 -0.163 14.318 1.00 11.09 C ATOM 859 CG ASP A 92 -12.232 -0.896 14.554 1.00 14.16 C ATOM 860 OD1 ASP A 92 -12.027 -1.622 15.535 1.00 14.73 O ATOM 861 OD2 ASP A 92 -11.360 -0.778 13.657 1.00 17.67 O ATOM 862 H ASP A 92 -15.178 -2.147 14.096 1.00 0.00 H ATOM 863 N ILE A 93 -16.757 0.623 14.707 1.00 7.50 N ATOM 864 CA ILE A 93 -17.693 1.738 14.706 1.00 6.92 C ATOM 865 C ILE A 93 -17.960 2.322 16.072 1.00 7.13 C ATOM 866 O ILE A 93 -17.993 3.572 16.248 1.00 7.35 O ATOM 867 CB ILE A 93 -19.020 1.346 13.976 1.00 7.19 C ATOM 868 CG1 ILE A 93 -18.760 1.129 12.462 1.00 7.08 C ATOM 869 CG2 ILE A 93 -20.126 2.321 14.203 1.00 7.66 C ATOM 870 CD1 ILE A 93 -18.385 2.332 11.650 1.00 6.55 C ATOM 871 H ILE A 93 -16.994 -0.258 14.207 1.00 0.00 H ATOM 872 N HIS A 94 -18.136 1.433 17.040 1.00 7.01 N ATOM 873 CA HIS A 94 -18.460 1.851 18.392 1.00 7.48 C ATOM 874 C HIS A 94 -17.373 2.826 18.889 1.00 6.96 C ATOM 875 O HIS A 94 -17.707 3.843 19.510 1.00 6.09 O ATOM 876 CB HIS A 94 -18.470 0.604 19.309 1.00 8.78 C ATOM 877 CG HIS A 94 -18.664 0.882 20.747 1.00 9.89 C ATOM 878 ND1 HIS A 94 -19.843 1.321 21.294 1.00 10.54 N ATOM 879 CD2 HIS A 94 -17.759 0.854 21.761 1.00 10.80 C ATOM 880 CE1 HIS A 94 -19.670 1.500 22.598 1.00 11.18 C ATOM 881 NE2 HIS A 94 -18.415 1.270 22.884 1.00 11.79 N ATOM 882 H HIS A 94 -18.040 0.420 16.827 1.00 0.00 H ATOM 883 N HIS A 95 -16.104 2.484 18.682 1.00 6.95 N ATOM 884 CA HIS A 95 -15.009 3.377 19.077 1.00 7.54 C ATOM 885 C HIS A 95 -15.072 4.713 18.443 1.00 6.91 C ATOM 886 O HIS A 95 -14.916 5.746 19.157 1.00 6.52 O ATOM 887 CB HIS A 95 -13.691 2.701 18.716 1.00 8.34 C ATOM 888 CG HIS A 95 -12.482 3.587 18.827 1.00 10.34 C ATOM 889 ND1 HIS A 95 -11.916 3.948 20.021 1.00 11.60 N ATOM 890 CD2 HIS A 95 -11.760 4.204 17.857 1.00 10.48 C ATOM 891 CE1 HIS A 95 -10.867 4.727 19.775 1.00 10.99 C ATOM 892 NE2 HIS A 95 -10.754 4.900 18.483 1.00 11.43 N ATOM 893 H HIS A 95 -15.885 1.571 18.234 1.00 0.00 H ATOM 894 N TYR A 96 -15.391 4.797 17.150 1.00 7.12 N ATOM 895 CA TYR A 96 -15.452 6.086 16.549 1.00 8.05 C ATOM 896 C TYR A 96 -16.596 6.928 17.083 1.00 6.89 C ATOM 897 O TYR A 96 -16.436 8.092 17.324 1.00 7.00 O ATOM 898 CB TYR A 96 -15.573 5.937 14.987 1.00 8.80 C ATOM 899 CG TYR A 96 -14.297 5.469 14.398 1.00 8.72 C ATOM 900 CD1 TYR A 96 -13.248 6.384 14.191 1.00 9.83 C ATOM 901 CD2 TYR A 96 -14.063 4.136 14.086 1.00 8.98 C ATOM 902 CE1 TYR A 96 -12.009 5.993 13.756 1.00 10.36 C ATOM 903 CE2 TYR A 96 -12.772 3.724 13.671 1.00 10.33 C ATOM 904 CZ TYR A 96 -11.773 4.668 13.527 1.00 10.71 C ATOM 905 OH TYR A 96 -10.485 4.318 13.111 1.00 12.50 O ATOM 906 HH TYR A 96 -10.095 3.675 13.755 1.00 0.00 H ATOM 907 H TYR A 96 -15.590 3.941 16.594 1.00 0.00 H ATOM 908 N ARG A 97 -17.747 6.306 17.338 1.00 6.74 N ATOM 909 CA ARG A 97 -18.865 7.008 17.902 1.00 6.98 C ATOM 910 C ARG A 97 -18.548 7.545 19.264 1.00 6.48 C ATOM 911 O ARG A 97 -18.859 8.690 19.577 1.00 6.69 O ATOM 912 CB ARG A 97 -20.086 6.090 17.942 1.00 7.78 C ATOM 913 CG ARG A 97 -21.285 6.765 18.578 1.00 8.57 C ATOM 914 CD ARG A 97 -22.523 5.989 18.291 1.00 9.87 C ATOM 915 NE ARG A 97 -23.712 6.452 19.044 1.00 10.64 N ATOM 916 CZ ARG A 97 -24.221 5.891 20.175 1.00 12.75 C ATOM 917 NH1 ARG A 97 -23.651 4.874 20.898 1.00 12.01 N ATOM 918 NH2 ARG A 97 -25.375 6.375 20.643 1.00 15.46 N ATOM 919 HE ARG A 97 -24.206 7.288 18.672 1.00 0.00 H ATOM 920 HH12 ARG A 97 -24.123 4.515 21.752 1.00 0.00 H ATOM 921 HH11 ARG A 97 -22.746 4.462 20.592 1.00 0.00 H ATOM 922 HH22 ARG A 97 -25.796 5.973 21.505 1.00 0.00 H ATOM 923 HH21 ARG A 97 -25.852 7.154 20.146 1.00 0.00 H ATOM 924 H ARG A 97 -17.837 5.292 17.124 1.00 0.00 H ATOM 925 N GLU A 98 -17.851 6.747 20.082 1.00 6.25 N ATOM 926 CA GLU A 98 -17.462 7.164 21.438 1.00 6.85 C ATOM 927 C GLU A 98 -16.476 8.323 21.393 1.00 6.78 C ATOM 928 O GLU A 98 -16.573 9.293 22.211 1.00 7.36 O ATOM 929 CB GLU A 98 -16.868 6.019 22.244 1.00 7.37 C ATOM 930 CG GLU A 98 -17.971 4.974 22.632 1.00 7.91 C ATOM 931 CD GLU A 98 -19.099 5.544 23.447 1.00 8.89 C ATOM 932 OE1 GLU A 98 -20.277 5.346 23.014 1.00 11.12 O ATOM 933 OE2 GLU A 98 -18.833 6.199 24.470 1.00 10.32 O ATOM 934 H GLU A 98 -17.576 5.801 19.748 1.00 0.00 H ATOM 935 N GLN A 99 -15.532 8.259 20.467 1.00 6.97 N ATOM 936 CA GLN A 99 -14.528 9.388 20.392 1.00 7.94 C ATOM 937 C GLN A 99 -15.181 10.682 19.850 1.00 7.56 C ATOM 938 O GLN A 99 -14.890 11.796 20.288 1.00 7.23 O ATOM 939 CB GLN A 99 -13.419 9.005 19.476 1.00 9.62 C ATOM 940 CG GLN A 99 -12.498 7.869 19.998 1.00 10.73 C ATOM 941 CD GLN A 99 -12.065 8.106 21.428 1.00 13.00 C ATOM 942 OE1 GLN A 99 -11.508 9.189 21.729 1.00 15.91 O ATOM 943 NE2 GLN A 99 -12.391 7.201 22.335 1.00 16.47 N ATOM 944 HE22 GLN A 99 -12.852 6.315 22.044 1.00 0.00 H ATOM 945 HE21 GLN A 99 -12.187 7.375 23.340 1.00 0.00 H ATOM 946 H GLN A 99 -15.482 7.455 19.809 1.00 0.00 H ATOM 947 N ILE A 100 -16.136 10.523 18.964 1.00 7.22 N ATOM 948 CA ILE A 100 -16.921 11.666 18.557 1.00 7.51 C ATOM 949 C ILE A 100 -17.686 12.322 19.735 1.00 7.86 C ATOM 950 O ILE A 100 -17.725 13.549 19.942 1.00 8.46 O ATOM 951 CB ILE A 100 -17.878 11.343 17.389 1.00 7.25 C ATOM 952 CG1 ILE A 100 -17.104 11.041 16.102 1.00 7.54 C ATOM 953 CG2 ILE A 100 -18.860 12.495 17.164 1.00 7.77 C ATOM 954 CD1 ILE A 100 -17.957 10.220 15.120 1.00 7.72 C ATOM 955 H ILE A 100 -16.326 9.584 18.559 1.00 0.00 H ATOM 956 N LYS A 101 -18.358 11.482 20.506 1.00 8.26 N ATOM 957 CA LYS A 101 -19.061 11.920 21.690 1.00 9.12 C ATOM 958 C LYS A 101 -18.130 12.679 22.610 1.00 8.93 C ATOM 959 O LYS A 101 -18.487 13.760 23.173 1.00 9.22 O ATOM 960 CB LYS A 101 -19.666 10.726 22.432 1.00 11.08 C ATOM 961 CG LYS A 101 -20.831 10.004 21.823 1.00 12.63 C ATOM 962 CD LYS A 101 -21.270 8.935 22.864 1.00 15.67 C ATOM 963 CE LYS A 101 -22.360 8.012 22.413 1.00 17.39 C ATOM 964 NZ LYS A 101 -22.573 7.008 23.502 1.00 16.94 N ATOM 965 HZ1 LYS A 101 -21.691 6.481 23.663 1.00 0.00 H ATOM 966 HZ2 LYS A 101 -22.849 7.500 24.376 1.00 0.00 H ATOM 967 HZ3 LYS A 101 -23.326 6.348 23.221 1.00 0.00 H ATOM 968 H LYS A 101 -18.381 10.474 20.251 1.00 0.00 H ATOM 969 N ARG A 102 -16.929 12.170 22.768 1.00 8.25 N ATOM 970 CA ARG A 102 -15.954 12.825 23.662 1.00 8.79 C ATOM 971 C ARG A 102 -15.618 14.209 23.194 1.00 8.62 C ATOM 972 O ARG A 102 -15.673 15.139 23.957 1.00 9.79 O ATOM 973 CB ARG A 102 -14.701 12.006 23.747 1.00 9.40 C ATOM 974 CG ARG A 102 -13.562 12.664 24.570 1.00 10.70 C ATOM 975 CD ARG A 102 -12.385 11.717 24.652 1.00 10.88 C ATOM 976 NE ARG A 102 -11.685 11.511 23.395 1.00 11.36 N ATOM 977 CZ ARG A 102 -10.901 12.386 22.781 1.00 11.50 C ATOM 978 NH1 ARG A 102 -10.647 13.582 23.270 1.00 12.13 N ATOM 979 NH2 ARG A 102 -10.352 12.040 21.679 1.00 12.62 N ATOM 980 HE ARG A 102 -11.811 10.588 22.933 1.00 0.00 H ATOM 981 HH12 ARG A 102 -10.025 14.234 22.751 1.00 0.00 H ATOM 982 HH11 ARG A 102 -11.068 13.874 24.175 1.00 0.00 H ATOM 983 HH22 ARG A 102 -9.732 12.706 21.175 1.00 0.00 H ATOM 984 HH21 ARG A 102 -10.526 11.093 21.287 1.00 0.00 H ATOM 985 H ARG A 102 -16.664 11.302 22.261 1.00 0.00 H ATOM 986 N VAL A 103 -15.199 14.390 21.950 1.00 8.28 N ATOM 987 CA VAL A 103 -14.753 15.688 21.492 1.00 8.65 C ATOM 988 C VAL A 103 -15.875 16.689 21.296 1.00 8.81 C ATOM 989 O VAL A 103 -15.635 17.870 21.568 1.00 10.05 O ATOM 990 CB VAL A 103 -13.920 15.625 20.205 1.00 9.03 C ATOM 991 CG1 VAL A 103 -12.718 14.694 20.411 1.00 9.22 C ATOM 992 CG2 VAL A 103 -14.670 15.267 18.937 1.00 8.77 C ATOM 993 H VAL A 103 -15.191 13.585 21.291 1.00 0.00 H ATOM 994 N LYS A 104 -17.087 16.258 21.021 1.00 8.41 N ATOM 995 CA LYS A 104 -18.197 17.126 20.832 1.00 9.12 C ATOM 996 C LYS A 104 -18.878 17.379 22.188 1.00 9.40 C ATOM 997 O LYS A 104 -19.710 18.275 22.357 1.00 9.58 O ATOM 998 CB LYS A 104 -19.154 16.442 19.913 1.00 9.16 C ATOM 999 CG LYS A 104 -18.678 16.298 18.461 1.00 9.21 C ATOM 1000 CD LYS A 104 -18.301 17.587 17.753 1.00 10.16 C ATOM 1001 CE LYS A 104 -19.464 18.485 17.496 1.00 11.28 C ATOM 1002 NZ LYS A 104 -18.996 19.774 16.881 1.00 12.91 N ATOM 1003 HZ1 LYS A 104 -18.336 20.247 17.531 1.00 0.00 H ATOM 1004 HZ2 LYS A 104 -18.514 19.573 15.981 1.00 0.00 H ATOM 1005 HZ3 LYS A 104 -19.815 20.391 16.707 1.00 0.00 H ATOM 1006 H LYS A 104 -17.241 15.233 20.938 1.00 0.00 H ATOM 1007 N ASP A 105 -18.503 16.545 23.187 1.00 9.17 N ATOM 1008 CA ASP A 105 -19.102 16.636 24.519 1.00 11.44 C ATOM 1009 C ASP A 105 -20.615 16.586 24.403 1.00 11.79 C ATOM 1010 O ASP A 105 -21.339 17.312 25.095 1.00 11.61 O ATOM 1011 CB ASP A 105 -18.622 17.876 25.322 1.00 13.13 C ATOM 1012 CG ASP A 105 -19.075 17.785 26.759 1.00 14.54 C ATOM 1013 OD1 ASP A 105 -19.198 16.673 27.303 1.00 15.30 O ATOM 1014 OD2 ASP A 105 -19.344 18.845 27.361 1.00 14.98 O ATOM 1015 H ASP A 105 -17.775 15.825 23.004 1.00 0.00 H ATOM 1016 N SER A 106 -21.104 15.612 23.604 1.00 11.18 N ATOM 1017 CA SER A 106 -22.513 15.462 23.276 1.00 12.47 C ATOM 1018 C SER A 106 -22.818 14.051 22.835 1.00 15.45 C ATOM 1019 O SER A 106 -22.016 13.493 22.102 1.00 15.22 O ATOM 1020 CB SER A 106 -22.962 16.406 22.165 1.00 13.32 C ATOM 1021 OG SER A 106 -24.403 16.450 21.981 1.00 13.82 O ATOM 1022 HG SER A 106 -24.622 17.079 21.248 1.00 0.00 H ATOM 1023 H SER A 106 -20.433 14.929 23.199 1.00 0.00 H ATOM 1024 N GLU A 107 -23.936 13.488 23.296 1.00 17.97 N ATOM 1025 CA GLU A 107 -24.356 12.168 22.790 1.00 21.62 C ATOM 1026 C GLU A 107 -25.395 12.369 21.620 1.00 23.21 C ATOM 1027 O GLU A 107 -25.912 11.381 21.045 1.00 27.11 O ATOM 1028 CB GLU A 107 -24.762 11.243 23.999 1.00 25.49 C ATOM 1029 CG GLU A 107 -23.536 10.876 24.871 1.00 30.31 C ATOM 1030 CD GLU A 107 -23.745 9.837 26.003 1.00 31.72 C ATOM 1031 OE1 GLU A 107 -24.046 10.279 27.128 1.00 38.39 O ATOM 1032 OE2 GLU A 107 -23.540 8.594 25.795 1.00 28.49 O ATOM 1033 H GLU A 107 -24.510 13.979 24.011 1.00 0.00 H ATOM 1034 N ASP A 108 -25.642 13.595 21.162 1.00 24.43 N ATOM 1035 CA ASP A 108 -26.670 13.827 20.089 1.00 26.23 C ATOM 1036 C ASP A 108 -26.067 14.328 18.772 1.00 22.84 C ATOM 1037 O ASP A 108 -26.709 15.123 18.038 1.00 26.69 O ATOM 1038 CB ASP A 108 -27.777 14.809 20.535 1.00 26.58 C ATOM 1039 H ASP A 108 -25.117 14.403 21.552 1.00 0.00 H ATOM 1040 N VAL A 109 -24.916 13.774 18.377 1.00 16.72 N ATOM 1041 CA VAL A 109 -24.202 14.364 17.268 1.00 13.84 C ATOM 1042 C VAL A 109 -24.720 13.804 15.956 1.00 10.68 C ATOM 1043 O VAL A 109 -24.892 12.590 15.897 1.00 10.68 O ATOM 1044 CB VAL A 109 -22.732 14.051 17.399 1.00 13.26 C ATOM 1045 CG1 VAL A 109 -21.982 14.675 16.255 1.00 12.73 C ATOM 1046 CG2 VAL A 109 -22.214 14.588 18.716 1.00 14.50 C ATOM 1047 H VAL A 109 -24.541 12.933 18.860 1.00 0.00 H ATOM 1048 N PRO A 110 -24.965 14.657 14.928 1.00 9.30 N ATOM 1049 CA PRO A 110 -25.418 14.147 13.641 1.00 8.16 C ATOM 1050 C PRO A 110 -24.399 13.124 13.064 1.00 7.13 C ATOM 1051 O PRO A 110 -23.179 13.428 12.923 1.00 6.34 O ATOM 1052 CB PRO A 110 -25.502 15.353 12.754 1.00 8.92 C ATOM 1053 CG PRO A 110 -25.690 16.528 13.707 1.00 9.59 C ATOM 1054 CD PRO A 110 -24.961 16.124 14.926 1.00 9.12 C ATOM 1055 N MET A 111 -24.894 11.949 12.692 1.00 6.46 N ATOM 1056 CA MET A 111 -24.077 10.872 12.144 1.00 6.72 C ATOM 1057 C MET A 111 -24.904 10.055 11.200 1.00 6.17 C ATOM 1058 O MET A 111 -26.102 9.894 11.392 1.00 5.98 O ATOM 1059 CB MET A 111 -23.483 9.926 13.216 1.00 7.87 C ATOM 1060 CG MET A 111 -22.727 10.602 14.321 1.00 9.03 C ATOM 1061 SD MET A 111 -22.024 9.482 15.548 1.00 11.08 S ATOM 1062 CE MET A 111 -23.447 9.187 16.432 1.00 13.54 C ATOM 1063 H MET A 111 -25.916 11.789 12.797 1.00 0.00 H ATOM 1064 N VAL A 112 -24.215 9.361 10.281 1.00 5.53 N ATOM 1065 CA VAL A 112 -24.818 8.365 9.392 1.00 5.60 C ATOM 1066 C VAL A 112 -23.910 7.161 9.376 1.00 5.15 C ATOM 1067 O VAL A 112 -22.702 7.331 9.262 1.00 5.17 O ATOM 1068 CB VAL A 112 -25.055 8.884 7.958 1.00 6.30 C ATOM 1069 CG1 VAL A 112 -25.536 7.784 7.017 1.00 6.99 C ATOM 1070 CG2 VAL A 112 -26.011 9.995 7.988 1.00 6.97 C ATOM 1071 H VAL A 112 -23.194 9.541 10.195 1.00 0.00 H ATOM 1072 N LEU A 113 -24.477 5.959 9.564 1.00 5.07 N ATOM 1073 CA LEU A 113 -23.676 4.735 9.448 1.00 5.03 C ATOM 1074 C LEU A 113 -23.661 4.285 8.031 1.00 5.33 C ATOM 1075 O LEU A 113 -24.659 4.262 7.343 1.00 5.23 O ATOM 1076 CB LEU A 113 -24.349 3.668 10.344 1.00 5.09 C ATOM 1077 CG LEU A 113 -23.701 2.313 10.329 1.00 5.31 C ATOM 1078 CD1 LEU A 113 -22.265 2.415 10.939 1.00 5.11 C ATOM 1079 CD2 LEU A 113 -24.507 1.250 11.071 1.00 5.71 C ATOM 1080 H LEU A 113 -25.489 5.895 9.793 1.00 0.00 H ATOM 1081 N VAL A 114 -22.448 4.091 7.535 1.00 5.32 N ATOM 1082 CA VAL A 114 -22.204 3.769 6.101 1.00 5.66 C ATOM 1083 C VAL A 114 -21.587 2.429 5.939 1.00 5.60 C ATOM 1084 O VAL A 114 -20.515 2.249 6.439 1.00 5.88 O ATOM 1085 CB VAL A 114 -21.334 4.884 5.424 1.00 5.87 C ATOM 1086 CG1 VAL A 114 -21.046 4.521 4.004 1.00 6.58 C ATOM 1087 CG2 VAL A 114 -22.008 6.201 5.539 1.00 6.47 C ATOM 1088 H VAL A 114 -21.631 4.167 8.174 1.00 0.00 H ATOM 1089 N GLY A 115 -22.269 1.483 5.316 1.00 5.94 N ATOM 1090 CA GLY A 115 -21.692 0.197 4.974 1.00 6.13 C ATOM 1091 C GLY A 115 -21.201 0.227 3.542 1.00 6.39 C ATOM 1092 O GLY A 115 -21.981 0.155 2.640 1.00 6.51 O ATOM 1093 H GLY A 115 -23.260 1.669 5.061 1.00 0.00 H ATOM 1094 N ASN A 116 -19.929 0.424 3.361 1.00 6.87 N ATOM 1095 CA ASN A 116 -19.308 0.544 2.056 1.00 7.36 C ATOM 1096 C ASN A 116 -18.865 -0.798 1.508 1.00 8.59 C ATOM 1097 O ASN A 116 -18.820 -1.797 2.186 1.00 8.89 O ATOM 1098 CB ASN A 116 -18.212 1.582 2.163 1.00 7.30 C ATOM 1099 CG ASN A 116 -17.650 1.960 0.812 1.00 6.90 C ATOM 1100 OD1 ASN A 116 -18.432 2.261 -0.072 1.00 6.99 O ATOM 1101 ND2 ASN A 116 -16.342 1.970 0.638 1.00 7.08 N ATOM 1102 HD22 ASN A 116 -15.711 1.705 1.421 1.00 0.00 H ATOM 1103 HD21 ASN A 116 -15.942 2.243 -0.282 1.00 0.00 H ATOM 1104 H ASN A 116 -19.321 0.500 4.201 1.00 0.00 H ATOM 1105 N LYS A 117 -18.526 -0.741 0.236 1.00 8.57 N ATOM 1106 CA LYS A 117 -18.134 -1.907 -0.626 1.00 9.74 C ATOM 1107 C LYS A 117 -19.345 -2.855 -0.876 1.00 11.55 C ATOM 1108 O LYS A 117 -19.168 -4.055 -0.976 1.00 11.97 O ATOM 1109 CB LYS A 117 -16.915 -2.667 -0.044 1.00 9.72 C ATOM 1110 CG LYS A 117 -15.788 -1.744 0.387 1.00 9.36 C ATOM 1111 CD LYS A 117 -14.497 -2.495 0.640 1.00 9.89 C ATOM 1112 CE LYS A 117 -13.402 -1.530 1.017 1.00 10.15 C ATOM 1113 NZ LYS A 117 -12.067 -2.213 1.128 1.00 10.86 N ATOM 1114 HZ1 LYS A 117 -12.117 -2.952 1.858 1.00 0.00 H ATOM 1115 HZ2 LYS A 117 -11.822 -2.644 0.214 1.00 0.00 H ATOM 1116 HZ3 LYS A 117 -11.342 -1.514 1.389 1.00 0.00 H ATOM 1117 H LYS A 117 -18.530 0.197 -0.212 1.00 0.00 H ATOM 1118 N SER A 118 -20.527 -2.278 -1.024 1.00 12.45 N ATOM 1119 CA SER A 118 -21.725 -3.100 -1.215 1.00 13.03 C ATOM 1120 C SER A 118 -21.677 -3.899 -2.493 1.00 13.36 C ATOM 1121 O SER A 118 -22.408 -4.897 -2.583 1.00 13.11 O ATOM 1122 CB SER A 118 -22.981 -2.242 -1.197 1.00 14.05 C ATOM 1123 OG SER A 118 -23.170 -1.630 0.083 1.00 16.00 O ATOM 1124 HG SER A 118 -22.391 -1.056 0.291 1.00 0.00 H ATOM 1125 H SER A 118 -20.606 -1.241 -1.005 1.00 0.00 H ATOM 1126 N ASP A 119 -20.826 -3.487 -3.467 1.00 12.62 N ATOM 1127 CA ASP A 119 -20.603 -4.236 -4.736 1.00 13.78 C ATOM 1128 C ASP A 119 -19.936 -5.574 -4.553 1.00 14.00 C ATOM 1129 O ASP A 119 -20.026 -6.373 -5.498 1.00 15.49 O ATOM 1130 CB ASP A 119 -19.733 -3.411 -5.647 1.00 13.75 C ATOM 1131 CG ASP A 119 -18.369 -3.124 -5.020 1.00 12.99 C ATOM 1132 OD1 ASP A 119 -18.307 -2.238 -4.083 1.00 11.75 O ATOM 1133 OD2 ASP A 119 -17.370 -3.774 -5.292 1.00 15.97 O ATOM 1134 H ASP A 119 -20.301 -2.601 -3.320 1.00 0.00 H ATOM 1135 N LEU A 120 -19.302 -5.895 -3.425 1.00 14.80 N ATOM 1136 CA LEU A 120 -18.511 -7.144 -3.194 1.00 15.76 C ATOM 1137 C LEU A 120 -19.478 -8.236 -2.739 1.00 18.36 C ATOM 1138 O LEU A 120 -20.336 -8.014 -1.882 1.00 20.37 O ATOM 1139 CB LEU A 120 -17.464 -6.971 -2.137 1.00 15.15 C ATOM 1140 CG LEU A 120 -16.300 -6.039 -2.480 1.00 14.96 C ATOM 1141 CD1 LEU A 120 -15.256 -5.865 -1.355 1.00 15.40 C ATOM 1142 CD2 LEU A 120 -15.626 -6.589 -3.740 1.00 15.74 C ATOM 1143 H LEU A 120 -19.362 -5.219 -2.637 1.00 0.00 H ATOM 1144 N PRO A 121 -19.334 -9.429 -3.318 1.00 20.40 N ATOM 1145 CA PRO A 121 -20.248 -10.511 -2.987 1.00 22.69 C ATOM 1146 C PRO A 121 -20.025 -11.136 -1.624 1.00 25.12 C ATOM 1147 O PRO A 121 -20.987 -11.574 -0.995 1.00 30.55 O ATOM 1148 CB PRO A 121 -20.001 -11.536 -4.119 1.00 23.09 C ATOM 1149 CG PRO A 121 -18.634 -11.235 -4.633 1.00 24.23 C ATOM 1150 CD PRO A 121 -18.405 -9.767 -4.413 1.00 21.54 C ATOM 1151 N SER A 122 -18.775 -11.181 -1.199 1.00 25.61 N ATOM 1152 CA SER A 122 -18.295 -11.794 0.031 1.00 27.22 C ATOM 1153 C SER A 122 -18.571 -10.947 1.286 1.00 25.90 C ATOM 1154 O SER A 122 -17.645 -10.535 1.988 1.00 27.28 O ATOM 1155 CB SER A 122 -16.770 -11.941 -0.092 1.00 30.68 C ATOM 1156 OG SER A 122 -16.190 -10.672 -0.424 1.00 33.60 O ATOM 1157 HG SER A 122 -16.561 -10.356 -1.286 1.00 0.00 H ATOM 1158 H SER A 122 -18.060 -10.732 -1.806 1.00 0.00 H ATOM 1159 N ARG A 123 -19.834 -10.701 1.567 1.00 22.72 N ATOM 1160 CA ARG A 123 -20.232 -9.888 2.713 1.00 21.72 C ATOM 1161 C ARG A 123 -20.024 -10.673 3.999 1.00 22.30 C ATOM 1162 O ARG A 123 -20.299 -11.877 4.016 1.00 20.90 O ATOM 1163 CB ARG A 123 -21.694 -9.550 2.551 1.00 22.47 C ATOM 1164 CG ARG A 123 -22.398 -9.198 3.824 1.00 24.23 C ATOM 1165 CD ARG A 123 -23.871 -8.915 3.602 1.00 25.58 C ATOM 1166 NE ARG A 123 -24.157 -7.907 2.577 1.00 26.90 N ATOM 1167 CZ ARG A 123 -24.429 -6.611 2.818 1.00 25.61 C ATOM 1168 NH1 ARG A 123 -24.416 -6.085 4.052 1.00 25.52 N ATOM 1169 NH2 ARG A 123 -24.699 -5.814 1.788 1.00 25.15 N ATOM 1170 HE ARG A 123 -24.149 -8.218 1.585 1.00 0.00 H ATOM 1171 HH12 ARG A 123 -24.633 -5.077 4.190 1.00 0.00 H ATOM 1172 HH11 ARG A 123 -24.189 -6.685 4.871 1.00 0.00 H ATOM 1173 HH22 ARG A 123 -24.912 -4.809 1.950 1.00 0.00 H ATOM 1174 HH21 ARG A 123 -24.697 -6.196 0.821 1.00 0.00 H ATOM 1175 H ARG A 123 -20.572 -11.099 0.952 1.00 0.00 H ATOM 1176 N THR A 124 -19.517 -10.054 5.052 1.00 19.93 N ATOM 1177 CA THR A 124 -19.431 -10.691 6.362 1.00 21.37 C ATOM 1178 C THR A 124 -20.286 -9.996 7.459 1.00 20.16 C ATOM 1179 O THR A 124 -20.482 -10.572 8.547 1.00 20.01 O ATOM 1180 CB THR A 124 -17.977 -10.802 6.880 1.00 23.15 C ATOM 1181 OG1 THR A 124 -17.372 -9.487 6.992 1.00 26.21 O ATOM 1182 CG2 THR A 124 -17.135 -11.636 6.016 1.00 25.49 C ATOM 1183 HG1 THR A 124 -16.444 -9.579 7.324 1.00 0.00 H ATOM 1184 H THR A 124 -19.168 -9.080 4.943 1.00 0.00 H ATOM 1185 N VAL A 125 -20.757 -8.769 7.205 1.00 18.55 N ATOM 1186 CA VAL A 125 -21.658 -8.032 8.103 1.00 17.35 C ATOM 1187 C VAL A 125 -23.046 -7.996 7.462 1.00 18.76 C ATOM 1188 O VAL A 125 -23.225 -7.353 6.438 1.00 19.39 O ATOM 1189 CB VAL A 125 -21.117 -6.568 8.347 1.00 17.08 C ATOM 1190 CG1 VAL A 125 -22.005 -5.836 9.328 1.00 16.70 C ATOM 1191 CG2 VAL A 125 -19.652 -6.640 8.780 1.00 18.30 C ATOM 1192 H VAL A 125 -20.468 -8.309 6.318 1.00 0.00 H ATOM 1193 N ASP A 126 -24.045 -8.595 8.111 1.00 20.57 N ATOM 1194 CA ASP A 126 -25.397 -8.618 7.599 1.00 22.56 C ATOM 1195 C ASP A 126 -26.029 -7.253 7.665 1.00 20.91 C ATOM 1196 O ASP A 126 -25.776 -6.479 8.622 1.00 20.76 O ATOM 1197 CB ASP A 126 -26.280 -9.589 8.399 1.00 24.48 C ATOM 1198 H ASP A 126 -23.844 -9.062 9.018 1.00 0.00 H ATOM 1199 N THR A 127 -26.813 -6.912 6.638 1.00 20.93 N ATOM 1200 CA THR A 127 -27.602 -5.698 6.683 1.00 20.46 C ATOM 1201 C THR A 127 -28.393 -5.573 8.022 1.00 21.28 C ATOM 1202 O THR A 127 -28.500 -4.479 8.555 1.00 19.00 O ATOM 1203 CB THR A 127 -28.518 -5.575 5.439 1.00 22.56 C ATOM 1204 OG1 THR A 127 -27.708 -5.573 4.241 1.00 21.89 O ATOM 1205 CG2 THR A 127 -29.367 -4.295 5.516 1.00 22.31 C ATOM 1206 HG1 THR A 127 -27.083 -4.806 4.268 1.00 0.00 H ATOM 1207 H THR A 127 -26.857 -7.524 5.798 1.00 0.00 H ATOM 1208 N LYS A 128 -28.949 -6.658 8.534 1.00 20.72 N ATOM 1209 CA LYS A 128 -29.774 -6.600 9.770 1.00 20.76 C ATOM 1210 C LYS A 128 -28.982 -6.139 10.965 1.00 18.55 C ATOM 1211 O LYS A 128 -29.462 -5.368 11.818 1.00 17.64 O ATOM 1212 CB LYS A 128 -30.413 -8.000 10.044 1.00 24.03 C ATOM 1213 CG LYS A 128 -31.196 -8.123 11.354 1.00 28.01 C ATOM 1214 CD LYS A 128 -32.475 -7.307 11.271 1.00 29.78 C ATOM 1215 CE LYS A 128 -33.554 -7.794 12.240 1.00 33.02 C ATOM 1216 NZ LYS A 128 -33.272 -7.514 13.685 1.00 33.90 N ATOM 1217 HZ1 LYS A 128 -32.386 -7.983 13.961 1.00 0.00 H ATOM 1218 HZ2 LYS A 128 -33.181 -6.488 13.827 1.00 0.00 H ATOM 1219 HZ3 LYS A 128 -34.054 -7.878 14.266 1.00 0.00 H ATOM 1220 H LYS A 128 -28.806 -7.573 8.061 1.00 0.00 H ATOM 1221 N GLN A 129 -27.771 -6.650 11.086 1.00 17.52 N ATOM 1222 CA GLN A 129 -26.948 -6.331 12.231 1.00 17.41 C ATOM 1223 C GLN A 129 -26.554 -4.829 12.196 1.00 13.97 C ATOM 1224 O GLN A 129 -26.473 -4.097 13.213 1.00 12.60 O ATOM 1225 CB GLN A 129 -25.725 -7.221 12.217 1.00 21.60 C ATOM 1226 CG GLN A 129 -24.980 -7.214 13.520 1.00 25.45 C ATOM 1227 CD GLN A 129 -23.678 -8.028 13.549 1.00 27.80 C ATOM 1228 OE1 GLN A 129 -22.914 -7.887 14.504 1.00 30.68 O ATOM 1229 NE2 GLN A 129 -23.421 -8.864 12.527 1.00 32.44 N ATOM 1230 HE22 GLN A 129 -24.098 -8.949 11.742 1.00 0.00 H ATOM 1231 HE21 GLN A 129 -22.546 -9.425 12.522 1.00 0.00 H ATOM 1232 H GLN A 129 -27.405 -7.288 10.351 1.00 0.00 H ATOM 1233 N ALA A 130 -26.278 -4.340 11.010 1.00 12.34 N ATOM 1234 CA ALA A 130 -25.978 -2.935 10.891 1.00 10.46 C ATOM 1235 C ALA A 130 -27.219 -2.094 11.080 1.00 9.66 C ATOM 1236 O ALA A 130 -27.176 -1.035 11.718 1.00 8.37 O ATOM 1237 CB ALA A 130 -25.319 -2.650 9.504 1.00 10.25 C ATOM 1238 H ALA A 130 -26.276 -4.955 10.171 1.00 0.00 H ATOM 1239 N GLN A 131 -28.379 -2.521 10.544 1.00 10.64 N ATOM 1240 CA GLN A 131 -29.591 -1.799 10.787 1.00 11.69 C ATOM 1241 C GLN A 131 -29.928 -1.754 12.307 1.00 10.25 C ATOM 1242 O GLN A 131 -30.372 -0.696 12.801 1.00 9.31 O ATOM 1243 CB GLN A 131 -30.733 -2.517 10.031 1.00 14.06 C ATOM 1244 CG GLN A 131 -30.778 -2.184 8.561 1.00 16.59 C ATOM 1245 CD GLN A 131 -31.825 -2.965 7.792 1.00 20.52 C ATOM 1246 OE1 GLN A 131 -32.149 -4.097 8.120 1.00 23.01 O ATOM 1247 NE2 GLN A 131 -32.362 -2.328 6.772 1.00 24.14 N ATOM 1248 HE22 GLN A 131 -32.048 -1.365 6.537 1.00 0.00 H ATOM 1249 HE21 GLN A 131 -33.100 -2.788 6.202 1.00 0.00 H ATOM 1250 H GLN A 131 -28.394 -3.376 9.953 1.00 0.00 H ATOM 1251 N ASP A 132 -29.695 -2.858 13.046 1.00 10.08 N ATOM 1252 CA ASP A 132 -30.003 -2.882 14.475 1.00 12.00 C ATOM 1253 C ASP A 132 -29.025 -1.960 15.193 1.00 9.74 C ATOM 1254 O ASP A 132 -29.411 -1.271 16.164 1.00 9.30 O ATOM 1255 CB ASP A 132 -29.927 -4.291 15.049 1.00 13.73 C ATOM 1256 CG ASP A 132 -31.175 -5.101 14.731 1.00 18.60 C ATOM 1257 OD1 ASP A 132 -32.219 -4.436 14.349 1.00 22.90 O ATOM 1258 OD2 ASP A 132 -31.080 -6.349 14.880 1.00 24.15 O ATOM 1259 H ASP A 132 -29.291 -3.703 12.594 1.00 0.00 H ATOM 1260 N LEU A 133 -27.772 -1.913 14.742 1.00 8.53 N ATOM 1261 CA LEU A 133 -26.867 -0.998 15.385 1.00 7.73 C ATOM 1262 C LEU A 133 -27.268 0.457 15.176 1.00 6.94 C ATOM 1263 O LEU A 133 -27.333 1.307 16.095 1.00 6.47 O ATOM 1264 CB LEU A 133 -25.405 -1.234 14.896 1.00 8.23 C ATOM 1265 CG LEU A 133 -24.374 -0.302 15.558 1.00 8.84 C ATOM 1266 CD1 LEU A 133 -24.197 -0.710 17.005 1.00 9.49 C ATOM 1267 CD2 LEU A 133 -23.067 -0.408 14.723 1.00 9.12 C ATOM 1268 H LEU A 133 -27.460 -2.516 13.954 1.00 0.00 H ATOM 1269 N ALA A 134 -27.607 0.785 13.918 1.00 6.61 N ATOM 1270 CA ALA A 134 -28.042 2.129 13.638 1.00 6.61 C ATOM 1271 C ALA A 134 -29.319 2.544 14.381 1.00 6.43 C ATOM 1272 O ALA A 134 -29.451 3.667 14.855 1.00 6.24 O ATOM 1273 CB ALA A 134 -28.213 2.340 12.134 1.00 6.55 C ATOM 1274 H ALA A 134 -27.556 0.078 13.157 1.00 0.00 H ATOM 1275 N ARG A 135 -30.221 1.602 14.549 1.00 6.69 N ATOM 1276 CA ARG A 135 -31.436 1.783 15.327 1.00 7.18 C ATOM 1277 C ARG A 135 -31.088 2.102 16.791 1.00 7.70 C ATOM 1278 O ARG A 135 -31.551 3.056 17.319 1.00 7.60 O ATOM 1279 CB ARG A 135 -32.289 0.548 15.219 1.00 7.57 C ATOM 1280 CG ARG A 135 -33.466 0.490 16.164 1.00 8.31 C ATOM 1281 CD ARG A 135 -34.255 -0.774 15.977 1.00 8.94 C ATOM 1282 NE ARG A 135 -35.440 -0.928 16.817 1.00 10.31 N ATOM 1283 CZ ARG A 135 -35.474 -1.558 17.970 1.00 11.53 C ATOM 1284 NH1 ARG A 135 -34.351 -1.965 18.532 1.00 12.82 N ATOM 1285 NH2 ARG A 135 -36.642 -1.704 18.567 1.00 12.55 N ATOM 1286 HE ARG A 135 -36.327 -0.506 16.476 1.00 0.00 H ATOM 1287 HH12 ARG A 135 -34.377 -2.464 19.444 1.00 0.00 H ATOM 1288 HH11 ARG A 135 -33.440 -1.787 18.062 1.00 0.00 H ATOM 1289 HH22 ARG A 135 -36.701 -2.198 19.480 1.00 0.00 H ATOM 1290 HH21 ARG A 135 -37.503 -1.325 18.124 1.00 0.00 H ATOM 1291 H ARG A 135 -30.057 0.678 14.101 1.00 0.00 H ATOM 1292 N SER A 136 -30.152 1.350 17.371 1.00 7.52 N ATOM 1293 CA SER A 136 -29.721 1.639 18.723 1.00 8.27 C ATOM 1294 C SER A 136 -29.070 2.980 18.868 1.00 7.66 C ATOM 1295 O SER A 136 -29.210 3.666 19.909 1.00 7.94 O ATOM 1296 CB SER A 136 -28.812 0.526 19.275 1.00 8.73 C ATOM 1297 OG SER A 136 -27.527 0.561 18.727 1.00 9.52 O ATOM 1298 HG SER A 136 -27.585 0.448 17.745 1.00 0.00 H ATOM 1299 H SER A 136 -29.730 0.554 16.851 1.00 0.00 H ATOM 1300 N TYR A 137 -28.339 3.430 17.843 1.00 6.92 N ATOM 1301 CA TYR A 137 -27.754 4.753 17.848 1.00 7.01 C ATOM 1302 C TYR A 137 -28.709 5.916 17.538 1.00 6.95 C ATOM 1303 O TYR A 137 -28.370 7.085 17.729 1.00 7.24 O ATOM 1304 CB TYR A 137 -26.594 4.817 16.822 1.00 6.98 C ATOM 1305 CG TYR A 137 -25.413 3.977 17.059 1.00 7.31 C ATOM 1306 CD1 TYR A 137 -25.168 3.308 18.197 1.00 7.54 C ATOM 1307 CD2 TYR A 137 -24.463 3.876 16.023 1.00 7.31 C ATOM 1308 CE1 TYR A 137 -23.967 2.585 18.379 1.00 7.50 C ATOM 1309 CE2 TYR A 137 -23.328 3.110 16.175 1.00 7.83 C ATOM 1310 CZ TYR A 137 -23.049 2.511 17.351 1.00 7.52 C ATOM 1311 OH TYR A 137 -21.910 1.716 17.601 1.00 8.68 O ATOM 1312 HH TYR A 137 -21.934 1.392 18.536 1.00 0.00 H ATOM 1313 H TYR A 137 -28.187 2.812 17.020 1.00 0.00 H ATOM 1314 N GLY A 138 -29.868 5.607 16.975 1.00 6.93 N ATOM 1315 CA GLY A 138 -30.828 6.646 16.477 1.00 6.74 C ATOM 1316 C GLY A 138 -30.346 7.369 15.210 1.00 6.58 C ATOM 1317 O GLY A 138 -30.567 8.575 15.137 1.00 7.70 O ATOM 1318 H GLY A 138 -30.122 4.604 16.874 1.00 0.00 H ATOM 1319 N ILE A 139 -29.667 6.678 14.315 1.00 6.12 N ATOM 1320 CA ILE A 139 -29.133 7.281 13.092 1.00 6.08 C ATOM 1321 C ILE A 139 -29.496 6.445 11.882 1.00 5.77 C ATOM 1322 O ILE A 139 -29.769 5.260 11.945 1.00 5.95 O ATOM 1323 CB ILE A 139 -27.621 7.485 13.183 1.00 6.00 C ATOM 1324 CG1 ILE A 139 -26.865 6.153 13.131 1.00 6.01 C ATOM 1325 CG2 ILE A 139 -27.279 8.308 14.401 1.00 6.16 C ATOM 1326 CD1 ILE A 139 -25.351 6.378 13.202 1.00 6.25 C ATOM 1327 H ILE A 139 -29.504 5.665 14.485 1.00 0.00 H ATOM 1328 N PRO A 140 -29.464 7.101 10.695 1.00 5.93 N ATOM 1329 CA PRO A 140 -29.645 6.350 9.465 1.00 6.48 C ATOM 1330 C PRO A 140 -28.522 5.441 9.129 1.00 6.74 C ATOM 1331 O PRO A 140 -27.382 5.645 9.562 1.00 6.34 O ATOM 1332 CB PRO A 140 -29.769 7.472 8.372 1.00 6.35 C ATOM 1333 CG PRO A 140 -29.808 8.755 9.086 1.00 6.95 C ATOM 1334 CD PRO A 140 -29.309 8.544 10.506 1.00 6.44 C ATOM 1335 N PHE A 141 -28.838 4.464 8.308 1.00 7.37 N ATOM 1336 CA PHE A 141 -27.846 3.503 7.780 1.00 7.15 C ATOM 1337 C PHE A 141 -27.993 3.415 6.285 1.00 6.95 C ATOM 1338 O PHE A 141 -29.136 3.189 5.784 1.00 7.86 O ATOM 1339 CB PHE A 141 -28.051 2.067 8.333 1.00 7.68 C ATOM 1340 CG PHE A 141 -27.254 1.022 7.622 1.00 9.12 C ATOM 1341 CD1 PHE A 141 -25.894 1.136 7.551 1.00 8.31 C ATOM 1342 CD2 PHE A 141 -27.866 -0.118 7.144 1.00 10.38 C ATOM 1343 CE1 PHE A 141 -25.149 0.152 6.973 1.00 9.39 C ATOM 1344 CE2 PHE A 141 -27.106 -1.097 6.520 1.00 10.72 C ATOM 1345 CZ PHE A 141 -25.739 -0.915 6.378 1.00 10.58 C ATOM 1346 H PHE A 141 -29.831 4.362 8.017 1.00 0.00 H ATOM 1347 N ILE A 142 -26.903 3.615 5.578 1.00 6.13 N ATOM 1348 CA ILE A 142 -26.940 3.553 4.131 1.00 7.05 C ATOM 1349 C ILE A 142 -25.804 2.736 3.636 1.00 7.43 C ATOM 1350 O ILE A 142 -24.653 2.845 4.130 1.00 7.19 O ATOM 1351 CB ILE A 142 -26.983 4.959 3.533 1.00 6.72 C ATOM 1352 CG1 ILE A 142 -28.193 5.744 4.068 1.00 7.04 C ATOM 1353 CG2 ILE A 142 -27.011 4.901 2.004 1.00 7.04 C ATOM 1354 CD1 ILE A 142 -28.172 7.200 3.601 1.00 6.92 C ATOM 1355 H ILE A 142 -26.006 3.820 6.062 1.00 0.00 H ATOM 1356 N GLU A 143 -26.115 1.849 2.662 1.00 8.17 N ATOM 1357 CA GLU A 143 -25.153 0.966 2.045 1.00 9.47 C ATOM 1358 C GLU A 143 -24.604 1.711 0.815 1.00 8.55 C ATOM 1359 O GLU A 143 -25.425 2.257 0.028 1.00 10.13 O ATOM 1360 CB GLU A 143 -25.792 -0.375 1.674 1.00 11.64 C ATOM 1361 CG GLU A 143 -25.982 -1.237 2.934 1.00 15.99 C ATOM 1362 CD GLU A 143 -25.632 -2.733 2.838 1.00 23.02 C ATOM 1363 OE1 GLU A 143 -25.396 -3.251 1.688 1.00 26.35 O ATOM 1364 OE2 GLU A 143 -25.580 -3.378 3.955 1.00 26.46 O ATOM 1365 H GLU A 143 -27.103 1.801 2.340 1.00 0.00 H ATOM 1366 N THR A 144 -23.300 1.714 0.620 1.00 7.84 N ATOM 1367 CA THR A 144 -22.645 2.408 -0.499 1.00 7.47 C ATOM 1368 C THR A 144 -21.697 1.522 -1.253 1.00 7.86 C ATOM 1369 O THR A 144 -21.202 0.543 -0.674 1.00 7.75 O ATOM 1370 CB THR A 144 -21.902 3.655 0.028 1.00 7.37 C ATOM 1371 OG1 THR A 144 -20.855 3.259 0.878 1.00 7.04 O ATOM 1372 CG2 THR A 144 -22.790 4.659 0.681 1.00 7.36 C ATOM 1373 HG1 THR A 144 -20.222 2.687 0.376 1.00 0.00 H ATOM 1374 H THR A 144 -22.701 1.197 1.295 1.00 0.00 H ATOM 1375 N SER A 145 -21.363 1.944 -2.482 1.00 7.51 N ATOM 1376 CA SER A 145 -20.167 1.418 -3.154 1.00 8.43 C ATOM 1377 C SER A 145 -19.492 2.639 -3.771 1.00 8.61 C ATOM 1378 O SER A 145 -20.017 3.287 -4.670 1.00 8.46 O ATOM 1379 CB SER A 145 -20.540 0.387 -4.186 1.00 9.19 C ATOM 1380 OG SER A 145 -19.426 0.142 -5.011 1.00 9.90 O ATOM 1381 HG SER A 145 -18.675 -0.193 -4.459 1.00 0.00 H ATOM 1382 H SER A 145 -21.956 2.650 -2.963 1.00 0.00 H ATOM 1383 N ALA A 146 -18.303 2.968 -3.286 1.00 9.11 N ATOM 1384 CA ALA A 146 -17.433 3.968 -3.971 1.00 9.96 C ATOM 1385 C ALA A 146 -17.055 3.519 -5.358 1.00 11.14 C ATOM 1386 O ALA A 146 -16.817 4.346 -6.225 1.00 12.68 O ATOM 1387 CB ALA A 146 -16.228 4.310 -3.111 1.00 10.16 C ATOM 1388 H ALA A 146 -17.969 2.519 -2.409 1.00 0.00 H ATOM 1389 N LYS A 147 -17.025 2.221 -5.576 1.00 12.95 N ATOM 1390 CA LYS A 147 -16.659 1.687 -6.901 1.00 14.10 C ATOM 1391 C LYS A 147 -17.732 1.977 -7.957 1.00 14.60 C ATOM 1392 O LYS A 147 -17.434 2.482 -9.046 1.00 14.36 O ATOM 1393 CB LYS A 147 -16.380 0.220 -6.807 1.00 15.48 C ATOM 1394 CG LYS A 147 -15.825 -0.351 -8.078 1.00 17.78 C ATOM 1395 CD LYS A 147 -15.807 -1.849 -7.982 1.00 21.80 C ATOM 1396 CE LYS A 147 -15.761 -2.481 -9.333 1.00 24.71 C ATOM 1397 NZ LYS A 147 -14.447 -3.139 -9.392 1.00 26.64 N ATOM 1398 HZ1 LYS A 147 -13.698 -2.427 -9.272 1.00 0.00 H ATOM 1399 HZ2 LYS A 147 -14.380 -3.846 -8.632 1.00 0.00 H ATOM 1400 HZ3 LYS A 147 -14.337 -3.608 -10.314 1.00 0.00 H ATOM 1401 H LYS A 147 -17.262 1.565 -4.805 1.00 0.00 H ATOM 1402 N THR A 148 -18.980 1.683 -7.665 1.00 13.23 N ATOM 1403 CA THR A 148 -20.093 1.869 -8.603 1.00 14.19 C ATOM 1404 C THR A 148 -20.789 3.194 -8.474 1.00 14.40 C ATOM 1405 O THR A 148 -21.575 3.581 -9.351 1.00 15.80 O ATOM 1406 CB THR A 148 -21.143 0.766 -8.440 1.00 15.65 C ATOM 1407 OG1 THR A 148 -21.791 0.875 -7.180 1.00 14.69 O ATOM 1408 CG2 THR A 148 -20.610 -0.662 -8.555 1.00 16.04 C ATOM 1409 HG1 THR A 148 -22.465 0.155 -7.093 1.00 0.00 H ATOM 1410 H THR A 148 -19.189 1.299 -6.721 1.00 0.00 H ATOM 1411 N ARG A 149 -20.490 3.918 -7.410 1.00 11.80 N ATOM 1412 CA ARG A 149 -21.184 5.114 -6.954 1.00 13.76 C ATOM 1413 C ARG A 149 -22.576 4.897 -6.313 1.00 12.71 C ATOM 1414 O ARG A 149 -23.189 5.913 -5.880 1.00 12.95 O ATOM 1415 CB ARG A 149 -21.242 6.227 -8.048 1.00 16.47 C ATOM 1416 CG ARG A 149 -20.708 7.568 -7.547 1.00 18.37 C ATOM 1417 CD ARG A 149 -20.341 8.640 -8.607 1.00 20.20 C ATOM 1418 NE ARG A 149 -20.037 9.952 -8.029 1.00 19.84 N ATOM 1419 CZ ARG A 149 -20.955 10.766 -7.465 1.00 21.29 C ATOM 1420 NH1 ARG A 149 -22.245 10.432 -7.463 1.00 22.75 N ATOM 1421 NH2 ARG A 149 -20.618 11.928 -6.926 1.00 24.26 N ATOM 1422 HE ARG A 149 -19.050 10.277 -8.055 1.00 0.00 H ATOM 1423 HH12 ARG A 149 -22.945 11.065 -7.026 1.00 0.00 H ATOM 1424 HH11 ARG A 149 -22.551 9.538 -7.898 1.00 0.00 H ATOM 1425 HH22 ARG A 149 -21.347 12.534 -6.499 1.00 0.00 H ATOM 1426 HH21 ARG A 149 -19.624 12.234 -6.930 1.00 0.00 H ATOM 1427 H ARG A 149 -19.678 3.602 -6.842 1.00 0.00 H ATOM 1428 N GLN A 150 -23.021 3.646 -6.122 1.00 13.36 N ATOM 1429 CA GLN A 150 -24.277 3.363 -5.487 1.00 14.29 C ATOM 1430 C GLN A 150 -24.265 3.996 -4.051 1.00 12.21 C ATOM 1431 O GLN A 150 -23.338 3.797 -3.267 1.00 10.91 O ATOM 1432 CB GLN A 150 -24.494 1.835 -5.400 1.00 19.03 C ATOM 1433 CG GLN A 150 -25.781 1.383 -4.636 1.00 25.09 C ATOM 1434 CD GLN A 150 -25.672 1.315 -3.089 1.00 30.78 C ATOM 1435 OE1 GLN A 150 -25.083 0.374 -2.469 1.00 30.96 O ATOM 1436 NE2 GLN A 150 -26.353 2.280 -2.430 1.00 32.93 N ATOM 1437 HE22 GLN A 150 -26.826 3.038 -2.962 1.00 0.00 H ATOM 1438 HE21 GLN A 150 -26.404 2.264 -1.391 1.00 0.00 H ATOM 1439 H GLN A 150 -22.434 2.851 -6.446 1.00 0.00 H ATOM 1440 N GLY A 151 -25.222 4.873 -3.796 1.00 10.83 N ATOM 1441 CA GLY A 151 -25.467 5.435 -2.487 1.00 10.14 C ATOM 1442 C GLY A 151 -24.517 6.525 -2.041 1.00 9.55 C ATOM 1443 O GLY A 151 -24.636 7.035 -0.917 1.00 9.01 O ATOM 1444 H GLY A 151 -25.833 5.175 -4.582 1.00 0.00 H ATOM 1445 N VAL A 152 -23.547 6.951 -2.859 1.00 9.54 N ATOM 1446 CA VAL A 152 -22.547 7.871 -2.406 1.00 9.50 C ATOM 1447 C VAL A 152 -23.149 9.225 -2.124 1.00 8.85 C ATOM 1448 O VAL A 152 -23.046 9.782 -1.013 1.00 8.28 O ATOM 1449 CB VAL A 152 -21.438 8.035 -3.436 1.00 10.23 C ATOM 1450 CG1 VAL A 152 -20.516 9.201 -3.092 1.00 10.84 C ATOM 1451 CG2 VAL A 152 -20.612 6.739 -3.596 1.00 9.93 C ATOM 1452 H VAL A 152 -23.519 6.608 -3.840 1.00 0.00 H ATOM 1453 N ASP A 153 -23.909 9.748 -3.107 1.00 10.00 N ATOM 1454 CA ASP A 153 -24.538 11.041 -2.862 1.00 10.76 C ATOM 1455 C ASP A 153 -25.523 10.871 -1.645 1.00 10.18 C ATOM 1456 O ASP A 153 -25.598 11.757 -0.770 1.00 10.09 O ATOM 1457 CB ASP A 153 -25.266 11.584 -4.145 1.00 13.48 C ATOM 1458 CG ASP A 153 -24.292 12.090 -5.205 1.00 15.88 C ATOM 1459 OD1 ASP A 153 -23.075 12.348 -4.983 1.00 17.76 O ATOM 1460 OD2 ASP A 153 -24.781 12.312 -6.321 1.00 21.50 O ATOM 1461 H ASP A 153 -24.042 9.247 -4.009 1.00 0.00 H ATOM 1462 N ASP A 154 -26.286 9.798 -1.625 1.00 10.29 N ATOM 1463 CA ASP A 154 -27.262 9.619 -0.603 1.00 10.49 C ATOM 1464 C ASP A 154 -26.636 9.672 0.762 1.00 9.72 C ATOM 1465 O ASP A 154 -27.227 10.204 1.700 1.00 8.82 O ATOM 1466 CB ASP A 154 -27.991 8.259 -0.785 1.00 13.96 C ATOM 1467 CG ASP A 154 -28.969 8.236 -1.964 1.00 19.13 C ATOM 1468 OD1 ASP A 154 -29.485 9.311 -2.361 1.00 22.92 O ATOM 1469 OD2 ASP A 154 -29.194 7.125 -2.517 1.00 25.24 O ATOM 1470 H ASP A 154 -26.175 9.074 -2.363 1.00 0.00 H ATOM 1471 N ALA A 155 -25.459 9.094 0.948 1.00 8.70 N ATOM 1472 CA ALA A 155 -24.839 9.075 2.251 1.00 7.39 C ATOM 1473 C ALA A 155 -24.493 10.488 2.697 1.00 7.18 C ATOM 1474 O ALA A 155 -24.784 10.889 3.839 1.00 7.05 O ATOM 1475 CB ALA A 155 -23.554 8.225 2.255 1.00 7.68 C ATOM 1476 H ALA A 155 -24.975 8.647 0.143 1.00 0.00 H ATOM 1477 N PHE A 156 -23.807 11.257 1.854 1.00 7.27 N ATOM 1478 CA PHE A 156 -23.474 12.595 2.219 1.00 7.40 C ATOM 1479 C PHE A 156 -24.674 13.483 2.370 1.00 7.46 C ATOM 1480 O PHE A 156 -24.722 14.364 3.273 1.00 7.69 O ATOM 1481 CB PHE A 156 -22.447 13.209 1.201 1.00 7.18 C ATOM 1482 CG PHE A 156 -21.066 12.610 1.327 1.00 7.63 C ATOM 1483 CD1 PHE A 156 -20.157 13.115 2.220 1.00 7.69 C ATOM 1484 CD2 PHE A 156 -20.675 11.526 0.542 1.00 7.64 C ATOM 1485 CE1 PHE A 156 -18.895 12.586 2.354 1.00 8.02 C ATOM 1486 CE2 PHE A 156 -19.398 11.013 0.626 1.00 7.89 C ATOM 1487 CZ PHE A 156 -18.477 11.585 1.506 1.00 7.66 C ATOM 1488 H PHE A 156 -23.514 10.882 0.929 1.00 0.00 H ATOM 1489 N TYR A 157 -25.641 13.346 1.468 1.00 8.33 N ATOM 1490 CA TYR A 157 -26.823 14.231 1.551 1.00 8.89 C ATOM 1491 C TYR A 157 -27.686 13.895 2.732 1.00 7.96 C ATOM 1492 O TYR A 157 -28.228 14.791 3.369 1.00 7.83 O ATOM 1493 CB TYR A 157 -27.631 14.235 0.256 1.00 11.85 C ATOM 1494 CG TYR A 157 -26.902 14.760 -0.945 1.00 14.96 C ATOM 1495 CD1 TYR A 157 -25.555 15.128 -0.941 1.00 16.66 C ATOM 1496 CD2 TYR A 157 -27.627 14.854 -2.084 1.00 19.43 C ATOM 1497 CE1 TYR A 157 -24.925 15.603 -2.125 1.00 20.56 C ATOM 1498 CE2 TYR A 157 -27.062 15.356 -3.236 1.00 19.98 C ATOM 1499 CZ TYR A 157 -25.727 15.693 -3.248 1.00 22.03 C ATOM 1500 OH TYR A 157 -25.268 16.185 -4.486 1.00 25.41 O ATOM 1501 HH TYR A 157 -24.305 16.404 -4.416 1.00 0.00 H ATOM 1502 H TYR A 157 -25.568 12.630 0.718 1.00 0.00 H ATOM 1503 N THR A 158 -27.784 12.646 3.085 1.00 7.31 N ATOM 1504 CA THR A 158 -28.539 12.209 4.313 1.00 7.37 C ATOM 1505 C THR A 158 -27.816 12.798 5.543 1.00 7.32 C ATOM 1506 O THR A 158 -28.472 13.330 6.453 1.00 7.72 O ATOM 1507 CB THR A 158 -28.586 10.702 4.391 1.00 7.65 C ATOM 1508 OG1 THR A 158 -29.350 10.243 3.276 1.00 8.83 O ATOM 1509 CG2 THR A 158 -29.287 10.281 5.640 1.00 7.42 C ATOM 1510 HG1 THR A 158 -30.263 10.623 3.324 1.00 0.00 H ATOM 1511 H THR A 158 -27.324 11.922 2.497 1.00 0.00 H ATOM 1512 N LEU A 159 -26.466 12.885 5.540 1.00 6.96 N ATOM 1513 CA LEU A 159 -25.804 13.507 6.677 1.00 6.57 C ATOM 1514 C LEU A 159 -26.111 14.995 6.752 1.00 6.90 C ATOM 1515 O LEU A 159 -26.363 15.494 7.860 1.00 7.21 O ATOM 1516 CB LEU A 159 -24.324 13.308 6.556 1.00 6.02 C ATOM 1517 CG LEU A 159 -23.463 13.870 7.715 1.00 5.81 C ATOM 1518 CD1 LEU A 159 -23.932 13.319 9.061 1.00 5.77 C ATOM 1519 CD2 LEU A 159 -21.997 13.559 7.493 1.00 5.97 C ATOM 1520 H LEU A 159 -25.912 12.515 4.741 1.00 0.00 H ATOM 1521 N VAL A 160 -26.153 15.697 5.616 1.00 7.45 N ATOM 1522 CA VAL A 160 -26.560 17.098 5.676 1.00 8.00 C ATOM 1523 C VAL A 160 -27.992 17.247 6.245 1.00 8.33 C ATOM 1524 O VAL A 160 -28.286 18.086 7.041 1.00 9.10 O ATOM 1525 CB VAL A 160 -26.468 17.723 4.271 1.00 8.32 C ATOM 1526 CG1 VAL A 160 -26.983 19.132 4.299 1.00 9.43 C ATOM 1527 CG2 VAL A 160 -25.016 17.791 3.866 1.00 8.62 C ATOM 1528 H VAL A 160 -25.901 15.255 4.709 1.00 0.00 H ATOM 1529 N ARG A 161 -28.891 16.407 5.790 1.00 8.55 N ATOM 1530 CA ARG A 161 -30.270 16.423 6.344 1.00 9.47 C ATOM 1531 C ARG A 161 -30.298 16.204 7.840 1.00 9.94 C ATOM 1532 O ARG A 161 -31.005 16.925 8.556 1.00 9.27 O ATOM 1533 CB ARG A 161 -31.179 15.400 5.635 1.00 10.92 C ATOM 1534 CG ARG A 161 -31.478 15.768 4.210 1.00 12.05 C ATOM 1535 CD ARG A 161 -32.337 14.695 3.520 1.00 14.02 C ATOM 1536 NE ARG A 161 -32.575 15.101 2.114 1.00 14.52 N ATOM 1537 CZ ARG A 161 -32.094 14.491 1.031 1.00 16.37 C ATOM 1538 NH1 ARG A 161 -31.460 13.349 1.158 1.00 17.26 N ATOM 1539 NH2 ARG A 161 -32.324 15.043 -0.176 1.00 19.40 N ATOM 1540 HE ARG A 161 -33.172 15.938 1.959 1.00 0.00 H ATOM 1541 HH12 ARG A 161 -31.082 12.868 0.317 1.00 0.00 H ATOM 1542 HH11 ARG A 161 -31.335 12.925 2.100 1.00 0.00 H ATOM 1543 HH22 ARG A 161 -31.959 14.585 -1.035 1.00 0.00 H ATOM 1544 HH21 ARG A 161 -32.867 15.927 -0.249 1.00 0.00 H ATOM 1545 H ARG A 161 -28.639 15.730 5.042 1.00 0.00 H ATOM 1546 N GLU A 162 -29.452 15.306 8.343 1.00 9.07 N ATOM 1547 CA GLU A 162 -29.324 15.063 9.759 1.00 9.61 C ATOM 1548 C GLU A 162 -28.807 16.300 10.495 1.00 9.17 C ATOM 1549 O GLU A 162 -29.261 16.622 11.585 1.00 9.76 O ATOM 1550 CB GLU A 162 -28.360 13.874 10.064 1.00 9.87 C ATOM 1551 CG GLU A 162 -28.990 12.525 9.696 1.00 10.19 C ATOM 1552 CD GLU A 162 -30.221 12.299 10.570 1.00 11.85 C ATOM 1553 OE1 GLU A 162 -30.081 12.349 11.804 1.00 12.72 O ATOM 1554 OE2 GLU A 162 -31.328 12.158 9.981 1.00 14.11 O ATOM 1555 H GLU A 162 -28.859 14.758 7.688 1.00 0.00 H ATOM 1556 N ILE A 163 -27.853 16.971 9.935 1.00 8.29 N ATOM 1557 CA ILE A 163 -27.329 18.216 10.522 1.00 9.26 C ATOM 1558 C ILE A 163 -28.358 19.287 10.535 1.00 10.70 C ATOM 1559 O ILE A 163 -28.515 19.961 11.539 1.00 11.54 O ATOM 1560 CB ILE A 163 -26.059 18.749 9.792 1.00 9.35 C ATOM 1561 CG1 ILE A 163 -24.876 17.780 9.910 1.00 9.10 C ATOM 1562 CG2 ILE A 163 -25.709 20.129 10.368 1.00 9.80 C ATOM 1563 CD1 ILE A 163 -23.736 17.964 8.935 1.00 9.20 C ATOM 1564 H ILE A 163 -27.444 16.621 9.045 1.00 0.00 H ATOM 1565 N ARG A 164 -29.076 19.474 9.437 1.00 10.97 N ATOM 1566 CA ARG A 164 -30.210 20.445 9.406 1.00 13.40 C ATOM 1567 C ARG A 164 -31.230 20.127 10.480 1.00 13.94 C ATOM 1568 O ARG A 164 -31.679 21.053 11.188 1.00 14.46 O ATOM 1569 CB ARG A 164 -30.871 20.514 8.059 1.00 13.60 C ATOM 1570 CG ARG A 164 -30.035 21.089 6.984 1.00 13.78 C ATOM 1571 CD ARG A 164 -30.715 21.022 5.641 1.00 14.92 C ATOM 1572 NE ARG A 164 -29.860 21.638 4.637 1.00 16.93 N ATOM 1573 CZ ARG A 164 -30.045 21.569 3.329 1.00 17.84 C ATOM 1574 NH1 ARG A 164 -31.052 20.886 2.834 1.00 18.25 N ATOM 1575 NH2 ARG A 164 -29.245 22.230 2.530 1.00 17.10 N ATOM 1576 HE ARG A 164 -29.037 22.176 4.975 1.00 0.00 H ATOM 1577 HH12 ARG A 164 -31.191 20.837 1.804 1.00 0.00 H ATOM 1578 HH11 ARG A 164 -31.711 20.395 3.472 1.00 0.00 H ATOM 1579 HH22 ARG A 164 -29.382 22.182 1.500 1.00 0.00 H ATOM 1580 HH21 ARG A 164 -28.472 22.803 2.925 1.00 0.00 H ATOM 1581 H ARG A 164 -28.845 18.933 8.579 1.00 0.00 H ATOM 1582 N LYS A 165 -31.630 18.875 10.652 1.00 14.65 N ATOM 1583 CA LYS A 165 -32.637 18.475 11.674 1.00 17.10 C ATOM 1584 C LYS A 165 -32.126 18.863 13.043 1.00 18.47 C ATOM 1585 O LYS A 165 -32.881 19.450 13.851 1.00 22.14 O ATOM 1586 CB LYS A 165 -32.967 16.955 11.671 1.00 18.04 C ATOM 1587 CG LYS A 165 -33.827 16.394 10.547 1.00 20.55 C ATOM 1588 CD LYS A 165 -33.526 14.881 10.247 1.00 21.20 C ATOM 1589 CE LYS A 165 -33.655 13.885 11.414 1.00 21.62 C ATOM 1590 NZ LYS A 165 -33.726 12.422 11.058 1.00 19.70 N ATOM 1591 HZ1 LYS A 165 -34.554 12.254 10.452 1.00 0.00 H ATOM 1592 HZ2 LYS A 165 -32.861 12.148 10.549 1.00 0.00 H ATOM 1593 HZ3 LYS A 165 -33.811 11.859 11.928 1.00 0.00 H ATOM 1594 H LYS A 165 -31.221 18.137 10.044 1.00 0.00 H ATOM 1595 N HIS A 166 -30.854 18.579 13.317 1.00 15.02 N ATOM 1596 CA HIS A 166 -30.225 18.852 14.611 1.00 18.00 C ATOM 1597 C HIS A 166 -30.093 20.330 14.909 1.00 18.04 C ATOM 1598 O HIS A 166 -30.241 20.734 16.091 1.00 17.85 O ATOM 1599 CB HIS A 166 -28.892 18.156 14.671 1.00 18.52 C ATOM 1600 CG HIS A 166 -28.033 18.534 15.845 1.00 20.14 C ATOM 1601 ND1 HIS A 166 -28.211 18.011 17.114 1.00 24.25 N ATOM 1602 CD2 HIS A 166 -27.011 19.422 15.949 1.00 20.86 C ATOM 1603 CE1 HIS A 166 -27.303 18.518 17.935 1.00 24.37 C ATOM 1604 NE2 HIS A 166 -26.589 19.411 17.267 1.00 23.60 N ATOM 1605 H HIS A 166 -30.276 18.140 12.572 1.00 0.00 H ATOM 1606 N LYS A 167 -29.806 21.146 13.896 1.00 20.99 N ATOM 1607 CA LYS A 167 -29.651 22.587 14.131 1.00 23.47 C ATOM 1608 C LYS A 167 -30.995 23.228 14.486 1.00 27.97 C ATOM 1609 O LYS A 167 -31.055 24.252 15.186 1.00 32.85 O ATOM 1610 CB LYS A 167 -28.983 23.255 12.958 1.00 23.75 C ATOM 1611 CG LYS A 167 -27.512 22.945 12.795 1.00 27.73 C ATOM 1612 CD LYS A 167 -26.962 23.769 11.643 1.00 31.22 C ATOM 1613 CE LYS A 167 -25.456 24.021 11.793 1.00 35.19 C ATOM 1614 NZ LYS A 167 -24.763 23.890 13.122 1.00 38.45 N ATOM 1615 HZ1 LYS A 167 -25.183 24.559 13.798 1.00 0.00 H ATOM 1616 HZ2 LYS A 167 -24.877 22.919 13.477 1.00 0.00 H ATOM 1617 HZ3 LYS A 167 -23.751 24.102 13.006 1.00 0.00 H ATOM 1618 H LYS A 167 -29.691 20.762 12.936 1.00 0.00 H ATOM 1619 N GLU A 168 -32.091 22.649 14.035 1.00 28.22 N ATOM 1620 CA GLU A 168 -33.409 23.113 14.491 1.00 33.39 C ATOM 1621 C GLU A 168 -33.846 22.384 15.775 1.00 36.34 C ATOM 1622 O GLU A 168 -34.958 21.841 15.862 1.00 41.30 O ATOM 1623 CB GLU A 168 -34.433 22.909 13.380 1.00 33.08 C ATOM 1624 H GLU A 168 -32.023 21.864 13.356 1.00 0.00 H TER 1625 GLU A 168 HETATM 1626 CA CA A 1 -7.725 7.445 3.169 1.00 7.34 CA HETATM 1627 CA CA A 2 -31.048 10.652 15.986 1.00 11.36 CA HETATM 1628 O HOH 3 -29.199 5.004 -1.756 1.00 28.42 O HETATM 1629 O HOH 4 -6.152 9.721 -8.942 1.00 27.76 O HETATM 1630 O HOH 5 -15.202 25.566 3.329 1.00 28.43 O HETATM 1631 O HOH 6 -27.867 2.586 -0.698 1.00 23.49 O HETATM 1632 O HOH 7 -35.894 16.494 3.694 1.00 36.16 O HETATM 1633 O HOH 8 -9.725 -2.284 15.774 1.00 34.39 O HETATM 1634 O HOH 9 -17.882 23.706 12.446 1.00 31.40 O HETATM 1635 O HOH 10 -5.549 1.559 18.904 1.00 29.86 O HETATM 1636 O HOH 11 -30.042 1.524 4.190 1.00 31.97 O HETATM 1637 O HOH 12 -10.149 -2.580 12.465 1.00 35.78 O HETATM 1638 O HOH 13 -33.435 -2.913 12.818 1.00 25.60 O HETATM 1639 O HOH 14 -23.971 24.540 9.500 1.00 15.07 O HETATM 1640 O HOH 15 -19.094 10.781 -10.732 1.00 30.61 O HETATM 1641 O HOH 16 -6.616 13.443 0.040 1.00 18.35 O HETATM 1642 O HOH 17 -35.515 16.074 -1.679 1.00 35.18 O HETATM 1643 O HOH 18 -5.501 -1.818 16.931 1.00 21.50 O HETATM 1644 O HOH 19 -7.229 9.386 17.606 1.00 30.59 O HETATM 1645 O HOH 20 -15.493 -10.295 -2.843 1.00 31.07 O HETATM 1646 O HOH 21 -6.555 19.234 2.408 1.00 26.30 O HETATM 1647 O HOH 22 -17.108 18.536 -6.889 1.00 31.37 O HETATM 1648 O HOH 23 -8.969 8.777 4.546 1.00 9.08 O HETATM 1649 O HOH 24 -16.853 -5.225 -7.411 1.00 22.82 O HETATM 1650 O HOH 25 -31.477 10.981 13.574 1.00 11.76 O HETATM 1651 O HOH 26 -22.061 0.308 19.830 1.00 11.48 O HETATM 1652 O HOH 27 -10.488 2.730 -10.399 1.00 30.61 O HETATM 1653 O HOH 28 -7.369 12.621 2.396 1.00 18.39 O HETATM 1654 O HOH 29 -30.556 24.123 17.779 1.00 33.32 O HETATM 1655 O HOH 30 -27.846 11.450 12.899 1.00 9.33 O HETATM 1656 O HOH 31 -12.283 -0.868 18.068 1.00 24.90 O HETATM 1657 O HOH 32 -2.018 1.491 13.295 1.00 16.92 O HETATM 1658 O HOH 33 -5.761 8.732 3.237 1.00 9.30 O HETATM 1659 O HOH 34 -15.556 2.059 -10.886 1.00 28.86 O HETATM 1660 O HOH 35 -3.940 13.106 12.655 1.00 28.33 O HETATM 1661 O HOH 36 -29.391 9.565 17.758 1.00 15.92 O HETATM 1662 O HOH 37 -20.592 7.598 25.938 1.00 18.35 O HETATM 1663 O HOH 38 -30.110 14.905 13.466 1.00 22.56 O HETATM 1664 O HOH 39 -31.818 0.993 11.268 1.00 13.84 O HETATM 1665 O HOH 40 -23.079 -1.402 -6.479 1.00 18.57 O HETATM 1666 O HOH 41 -6.708 6.250 1.491 1.00 9.88 O HETATM 1667 O HOH 42 -26.589 10.852 17.101 1.00 16.57 O HETATM 1668 O HOH 43 -31.992 3.706 12.071 1.00 9.73 O HETATM 1669 O HOH 44 -5.782 2.800 0.273 1.00 22.71 O HETATM 1670 O HOH 45 -25.960 8.250 18.202 1.00 20.61 O HETATM 1671 O HOH 46 -16.091 20.488 -5.535 1.00 25.85 O HETATM 1672 O HOH 47 -18.611 24.721 4.479 1.00 23.82 O HETATM 1673 O HOH 48 -6.228 2.717 3.017 1.00 15.81 O HETATM 1674 O HOH 49 -11.209 7.664 10.820 1.00 8.05 O HETATM 1675 O HOH 50 -14.732 1.444 10.628 1.00 7.21 O HETATM 1676 O HOH 51 -7.338 12.356 19.138 1.00 16.18 O HETATM 1677 O HOH 52 -2.244 4.557 9.676 1.00 13.31 O HETATM 1678 O HOH 53 -12.617 -4.271 3.085 1.00 14.12 O HETATM 1679 O HOH 54 -11.946 23.215 17.153 1.00 20.56 O HETATM 1680 O HOH 55 -9.870 1.690 13.572 1.00 18.35 O HETATM 1681 O HOH 56 -24.369 8.381 -5.739 1.00 13.30 O HETATM 1682 O HOH 57 -6.713 4.292 -8.946 1.00 28.91 O HETATM 1683 O HOH 58 -11.948 -2.497 5.134 1.00 24.05 O HETATM 1684 O HOH 59 -16.001 15.214 26.679 1.00 17.92 O HETATM 1685 O HOH 60 -29.772 6.145 20.944 1.00 21.87 O HETATM 1686 O HOH 61 -6.800 6.137 4.918 1.00 10.26 O HETATM 1687 O HOH 62 -31.953 11.333 2.984 1.00 17.68 O HETATM 1688 O HOH 63 -2.313 10.866 13.171 1.00 23.20 O HETATM 1689 O HOH 64 -33.563 4.645 16.252 1.00 12.39 O HETATM 1690 O HOH 65 -26.874 -2.090 19.254 1.00 20.48 O HETATM 1691 O HOH 66 -21.031 3.960 20.704 1.00 10.37 O HETATM 1692 O HOH 67 -19.239 24.742 9.425 1.00 29.69 O HETATM 1693 O HOH 68 -13.432 5.932 -11.930 1.00 24.12 O HETATM 1694 O HOH 69 -12.644 7.449 -5.410 1.00 10.62 O HETATM 1695 O HOH 70 -15.000 -0.435 18.877 1.00 15.31 O HETATM 1696 O HOH 71 -33.148 19.160 4.319 1.00 19.73 O HETATM 1697 O HOH 72 -14.397 17.549 24.630 1.00 20.38 O HETATM 1698 O HOH 73 -2.117 12.211 8.525 1.00 22.39 O HETATM 1699 O HOH 74 -31.501 4.442 4.903 1.00 20.65 O HETATM 1700 O HOH 75 -10.111 -0.920 -6.165 1.00 28.73 O HETATM 1701 O HOH 76 -31.593 -2.041 17.913 1.00 15.91 O HETATM 1702 O HOH 77 -4.006 11.975 16.088 1.00 21.05 O HETATM 1703 O HOH 78 -24.956 5.576 24.024 1.00 21.09 O HETATM 1704 O HOH 79 -9.451 6.943 -10.611 1.00 22.64 O HETATM 1705 O HOH 80 -23.664 19.620 14.709 1.00 11.69 O HETATM 1706 O HOH 81 -21.784 3.485 24.537 1.00 14.75 O HETATM 1707 O HOH 82 -16.340 5.820 -10.949 1.00 31.72 O HETATM 1708 O HOH 83 -26.985 4.038 21.649 1.00 14.16 O HETATM 1709 O HOH 84 -21.516 14.561 -8.841 1.00 28.15 O HETATM 1710 O HOH 85 -26.221 -4.865 15.964 1.00 20.67 O HETATM 1711 O HOH 86 -34.161 -3.547 20.919 1.00 20.22 O HETATM 1712 O HOH 87 -17.459 20.837 26.511 1.00 25.39 O HETATM 1713 O HOH 88 -7.829 3.965 -2.475 1.00 20.14 O HETATM 1714 O HOH 89 -26.545 -1.851 -1.384 1.00 32.81 O HETATM 1715 O HOH 90 -21.609 -5.745 -7.821 1.00 38.40 O HETATM 1716 O HOH 91 -19.520 -1.460 16.662 1.00 17.04 O HETATM 1717 O HOH 92 -12.607 -4.778 -5.039 1.00 16.08 O HETATM 1718 O HOH 93 -28.450 -7.605 2.324 1.00 32.07 O HETATM 1719 O HOH 94 -22.805 11.970 19.773 1.00 27.56 O HETATM 1720 O HOH 95 -2.552 15.149 14.450 1.00 38.05 O HETATM 1721 O HOH 96 -17.772 20.758 19.325 1.00 21.65 O HETATM 1722 O HOH 97 -32.465 17.241 -2.841 1.00 23.05 O HETATM 1723 O HOH 98 -28.876 1.654 1.741 1.00 17.71 O HETATM 1724 O HOH 99 -13.791 18.036 -8.780 1.00 21.10 O HETATM 1725 O HOH 100 -25.808 9.972 -7.748 1.00 32.65 O HETATM 1726 O HOH 101 -9.091 -3.165 -2.395 1.00 27.37 O HETATM 1727 O HOH 102 -31.674 3.786 8.028 1.00 14.81 O HETATM 1728 O HOH 103 -11.724 -3.320 -1.564 1.00 18.58 O HETATM 1729 O HOH 104 -18.255 13.907 27.551 1.00 31.99 O HETATM 1730 O HOH 105 -12.490 -8.600 9.882 1.00 26.63 O HETATM 1731 O HOH 106 -7.818 1.252 11.504 1.00 14.22 O HETATM 1732 O HOH 107 1.891 7.919 3.188 1.00 31.25 O HETATM 1733 O HOH 108 -0.241 11.711 -1.538 1.00 26.03 O HETATM 1734 O HOH 109 -21.573 21.034 16.208 1.00 26.30 O HETATM 1735 O HOH 110 -1.862 8.172 -3.584 1.00 22.74 O HETATM 1736 O HOH 111 -32.853 10.245 8.337 1.00 24.79 O HETATM 1737 O HOH 112 -2.408 13.316 -2.504 1.00 32.88 O HETATM 1738 O HOH 113 -23.203 28.652 7.546 1.00 36.46 O HETATM 1739 O HOH 114 -33.316 18.051 7.068 1.00 17.38 O HETATM 1740 O HOH 115 -34.636 -4.476 16.076 1.00 28.50 O HETATM 1741 O HOH 116 -23.733 -4.417 6.673 1.00 30.05 O HETATM 1742 O HOH 117 -7.432 18.454 -0.680 1.00 28.10 O HETATM 1743 O HOH 118 -26.598 8.024 -4.034 1.00 14.25 O HETATM 1744 O HOH 119 -0.803 3.850 13.741 1.00 10.18 O HETATM 1745 O HOH 120 -27.256 5.509 -5.938 1.00 23.19 O HETATM 1746 O HOH 121 -14.470 -9.937 7.709 1.00 24.34 O HETATM 1747 O HOH 122 -12.029 -5.535 -0.404 1.00 24.46 O HETATM 1748 O HOH 123 -28.561 14.301 15.768 1.00 22.71 O HETATM 1749 O HOH 124 -19.872 12.868 25.738 1.00 21.39 O HETATM 1750 O HOH 125 -11.484 15.079 25.804 1.00 22.34 O HETATM 1751 O HOH 126 -18.725 22.828 -5.959 1.00 9.72 O HETATM 1752 O HOH 127 -1.399 15.734 21.668 1.00 33.29 O HETATM 1753 O HOH 128 -11.988 20.684 -3.012 1.00 26.81 O HETATM 1754 O HOH 129 0.347 4.919 9.861 1.00 12.39 O HETATM 1755 O HOH 130 -10.788 18.475 -5.576 1.00 33.94 O HETATM 1756 O HOH 131 -29.061 27.658 2.800 1.00 32.55 O HETATM 1757 O HOH 132 -0.966 6.310 7.133 1.00 26.87 O HETATM 1758 O HOH 133 -8.201 6.905 19.664 1.00 26.68 O HETATM 1759 O HOH 134 2.530 12.087 18.093 1.00 29.28 O HETATM 1760 O HOH 135 -4.562 20.311 0.671 1.00 36.18 O HETATM 1761 O HOH 136 1.367 13.055 15.918 1.00 27.09 O HETATM 1762 O HOH 137 -32.752 20.339 18.260 1.00 37.62 O HETATM 1763 O HOH 138 -36.090 18.956 13.046 1.00 31.21 O HETATM 1764 O HOH 139 -8.615 1.225 15.805 1.00 30.28 O HETATM 1765 O HOH 140 -33.253 19.398 -4.305 1.00 27.98 O HETATM 1766 O HOH 141 -8.544 9.801 19.917 1.00 14.89 O HETATM 1767 O HOH 142 -1.405 14.034 6.237 1.00 22.67 O HETATM 1768 O HOH 143 -35.070 21.181 11.856 1.00 33.89 O HETATM 1769 O HOH 144 -28.873 11.578 15.332 1.00 13.10 O HETATM 1770 O HOH 145 -11.185 22.860 20.043 1.00 28.36 O HETATM 1771 O HOH 146 0.394 11.510 5.405 1.00 22.08 O HETATM 1772 O HOH 147 -23.448 17.918 17.913 1.00 27.09 O HETATM 1773 O HOH 148 -14.463 23.919 16.700 1.00 28.63 O HETATM 1774 O HOH 149 -16.048 23.292 19.034 1.00 13.77 O HETATM 1775 O HOH 150 -5.391 4.272 19.755 1.00 28.45 O HETATM 1776 O HOH 151 -10.872 25.033 15.634 1.00 29.92 O HETATM 1777 O HOH 152 -31.612 -4.552 19.105 1.00 19.85 O HETATM 1778 O HOH 153 -34.088 -0.448 11.873 1.00 16.69 O HETATM 1779 O HOH 154 -13.706 9.224 -14.697 1.00 18.78 O HETATM 1780 O HOH 155 -34.139 -5.847 18.400 1.00 27.06 O HETATM 1781 O HOH 156 -10.945 -6.190 3.802 1.00 27.60 O HETATM 1782 O HOH 157 -31.861 1.143 8.505 1.00 18.24 O HETATM 1783 O HOH 158 -31.081 6.786 5.440 1.00 20.89 O HETATM 1784 O HOH 159 -5.691 21.378 2.516 1.00 21.91 O HETATM 1785 O HOH 160 -9.609 -0.177 -8.697 1.00 33.71 O HETATM 1786 O HOH 161 -33.308 3.166 5.803 1.00 29.56 O HETATM 1787 O HOH 162 -4.730 1.171 4.447 1.00 29.97 O HETATM 1788 O HOH 163 -3.469 2.549 11.241 1.00 23.87 O HETATM 1789 O HOH 164 -1.922 3.112 7.066 1.00 23.94 O HETATM 1790 O HOH 165 -31.200 3.691 1.931 1.00 27.85 O HETATM 1791 O HOH 166 -6.766 -0.974 1.489 1.00 36.06 O HETATM 1792 C13 UNN A 167 -10.440 9.199 15.666 1.00 0.00 C HETATM 1793 C21 UNN A 167 -9.988 9.271 14.383 1.00 0.05 C HETATM 1794 C22 UNN A 167 -9.200 8.374 13.811 1.00 -0.03 C HETATM 1795 C23 UNN A 167 -8.731 7.276 14.517 1.00 0.05 C HETATM 1796 C07 UNN A 167 -7.918 6.205 14.011 1.00 0.15 C HETATM 1797 N06 UNN A 167 -7.498 6.067 12.718 1.00 -0.27 N HETATM 1798 C05 UNN A 167 -6.539 5.053 12.377 1.00 0.06 C HETATM 1799 C04 UNN A 167 -5.991 5.481 11.051 1.00 0.06 C HETATM 1800 N03 UNN A 167 -7.041 5.446 10.010 1.00 -0.27 N HETATM 1801 C26 UNN A 167 -8.412 5.630 10.531 1.00 0.06 C HETATM 1802 C25 UNN A 167 -8.361 6.599 11.660 1.00 0.06 C HETATM 1803 H17 UNN A 167 -9.375 6.754 12.057 1.00 0.06 H HETATM 1804 H18 UNN A 167 -7.956 7.558 11.303 1.00 0.06 H HETATM 1805 H4 UNN A 167 -8.807 4.667 10.886 1.00 0.05 H HETATM 1806 H5 UNN A 167 -9.062 6.021 9.735 1.00 0.05 H HETATM 1807 C02 UNN A 167 -6.768 5.260 8.708 1.00 0.18 C HETATM 1808 O01 UNN A 167 -7.747 5.281 7.911 1.00 -0.40 O HETATM 1809 C27 UNN A 167 -5.373 5.051 8.143 1.00 0.03 C HETATM 1810 C28 UNN A 167 -5.260 3.641 7.581 1.00 -0.05 C HETATM 1811 H6 UNN A 167 -4.250 3.489 7.172 1.00 0.03 H HETATM 1812 H7 UNN A 167 -6.004 3.504 6.782 1.00 0.03 H HETATM 1813 H8 UNN A 167 -5.444 2.911 8.383 1.00 0.03 H HETATM 1814 H19 UNN A 167 -5.189 5.781 7.341 1.00 0.05 H HETATM 1815 H20 UNN A 167 -4.629 5.188 8.942 1.00 0.05 H HETATM 1816 H9 UNN A 167 -5.602 6.506 11.136 1.00 0.05 H HETATM 1817 H10 UNN A 167 -5.175 4.802 10.762 1.00 0.05 H HETATM 1818 H11 UNN A 167 -5.739 5.006 13.131 1.00 0.06 H HETATM 1819 H12 UNN A 167 -7.026 4.070 12.297 1.00 0.06 H HETATM 1820 N08 UNN A 167 -7.467 5.213 14.883 1.00 -0.25 N HETATM 1821 C09 UNN A 167 -7.908 5.162 16.114 1.00 0.06 C HETATM 1822 N10 UNN A 167 -8.700 6.143 16.631 1.00 -0.29 N HETATM 1823 C11 UNN A 167 -9.198 7.136 15.808 1.00 0.04 C HETATM 1824 C12 UNN A 167 -10.004 8.104 16.383 1.00 -0.03 C HETATM 1825 H14 UNN A 167 -10.299 7.999 17.421 1.00 0.06 H HETATM 1826 H13 UNN A 167 -7.636 4.318 16.738 1.00 0.11 H HETATM 1827 H3 UNN A 167 -8.916 8.500 12.772 1.00 0.07 H HETATM 1828 CL24 UNN A 167 -10.408 10.700 13.375 1.00 -0.07 CL HETATM 1829 C14 UNN A 167 -11.316 10.245 16.292 1.00 0.02 C HETATM 1830 C15 UNN A 167 -10.799 10.990 17.289 1.00 -0.05 C HETATM 1831 C16 UNN A 167 -11.576 11.963 17.918 1.00 -0.06 C HETATM 1832 C17 UNN A 167 -12.882 12.157 17.472 1.00 -0.06 C HETATM 1833 C18 UNN A 167 -13.393 11.484 16.411 1.00 -0.03 C HETATM 1834 C19 UNN A 167 -12.597 10.514 15.796 1.00 0.14 C HETATM 1835 F20 UNN A 167 -13.077 9.759 14.789 1.00 -0.18 F HETATM 1836 H16 UNN A 167 -14.393 11.693 16.049 1.00 0.06 H HETATM 1837 H2 UNN A 167 -13.511 12.871 17.991 1.00 0.06 H HETATM 1838 H15 UNN A 167 -11.174 12.553 18.733 1.00 0.06 H HETATM 1839 H1 UNN A 167 -9.774 10.832 17.604 1.00 0.06 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 142 141 143 1626 CONECT 1317 1316 1627 CONECT 1626 142 CONECT 1627 1317 CONECT 1792 1793 1824 1829 CONECT 1793 1792 1794 1828 CONECT 1794 1793 1795 1827 CONECT 1795 1794 1796 1823 CONECT 1796 1795 1797 1820 CONECT 1797 1796 1798 1802 CONECT 1798 1797 1799 1818 1819 CONECT 1799 1798 1800 1816 1817 CONECT 1800 1799 1801 1807 CONECT 1801 1800 1802 1805 1806 CONECT 1802 1797 1801 1803 1804 CONECT 1803 1802 CONECT 1804 1802 CONECT 1805 1801 CONECT 1806 1801 CONECT 1807 1800 1808 1809 CONECT 1808 1807 CONECT 1809 1807 1810 1814 1815 CONECT 1810 1809 1811 1812 1813 CONECT 1811 1810 CONECT 1812 1810 CONECT 1813 1810 CONECT 1814 1809 CONECT 1815 1809 CONECT 1816 1799 CONECT 1817 1799 CONECT 1818 1798 CONECT 1819 1798 CONECT 1820 1796 1821 CONECT 1821 1820 1822 1826 CONECT 1822 1821 1823 CONECT 1823 1795 1822 1824 CONECT 1824 1792 1823 1825 CONECT 1825 1824 CONECT 1826 1821 CONECT 1827 1794 CONECT 1828 1793 CONECT 1829 1792 1830 1834 CONECT 1830 1829 1831 1839 CONECT 1831 1830 1832 1838 CONECT 1832 1831 1833 1837 CONECT 1833 1832 1834 1836 CONECT 1834 1829 1833 1835 CONECT 1835 1834 CONECT 1836 1833 CONECT 1837 1832 CONECT 1838 1831 CONECT 1839 1830 MASTER 0 0 0 0 0 0 0 0 1838 1 56 13 END
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Related entries of code: 6b0y
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1clu
RCSB PDB
PDBbind
166aa, >1CLU_1|Chain... at 92%
1d8e
RCSB PDB
PDBbind
11aa, >1D8E_3|Chain... at 100%
1he8
RCSB PDB
PDBbind
166aa, >1HE8_2|Chain... at 92%
1nvu
RCSB PDB
PDBbind
166aa, >1NVU_1|Chains... at 92%
1wq1
RCSB PDB
PDBbind
166aa, >1WQ1_1|Chain... at 92%
4dst
RCSB PDB
PDBbind
189aa, >4DST_1|Chain... *
4dsu
RCSB PDB
PDBbind
189aa, >4DSU_1|Chain... at 100%
4epy
RCSB PDB
PDBbind
170aa, >4EPY_1|Chain... at 98%
4k81
RCSB PDB
PDBbind
171aa, >4K81_2|Chains... at 90%
4nyi
RCSB PDB
PDBbind
167aa, >4NYI_1|Chain... at 92%
4nyj
RCSB PDB
PDBbind
166aa, >4NYJ_2|Chain... at 92%
4nym
RCSB PDB
PDBbind
166aa, >4NYM_2|Chain... at 92%
5kyk
RCSB PDB
PDBbind
169aa, >5KYK_1|Chains... at 98%
6b0v
RCSB PDB
PDBbind
170aa, >6B0V_1|Chains... at 97%
6d55
RCSB PDB
PDBbind
167aa, >6D55_3|Chain... at 92%
6d56
RCSB PDB
PDBbind
167aa, >6D56_3|Chain... at 92%
6d59
RCSB PDB
PDBbind
167aa, >6D59_3|Chain... at 92%
6d5e
RCSB PDB
PDBbind
167aa, >6D5E_3|Chain... at 92%
6d5g
RCSB PDB
PDBbind
167aa, >6D5G_3|Chain... at 92%
6d5h
RCSB PDB
PDBbind
167aa, >6D5H_3|Chain... at 92%
6d5j
RCSB PDB
PDBbind
167aa, >6D5J_3|Chain... at 92%
6fa2
RCSB PDB
PDBbind
171aa, >6FA2_3|Chain... at 96%
6fa3
RCSB PDB
PDBbind
172aa, >6FA3_2|Chain... at 96%
6fa4
RCSB PDB
PDBbind
173aa, >6FA4_2|Chains... at 96%
6quw
RCSB PDB
PDBbind
170aa, >6QUW_1|Chains... at 99%
6quv
RCSB PDB
PDBbind
170aa, >6QUV_1|Chains... at 99%
6pgp
RCSB PDB
PDBbind
183aa, >6PGP_1|Chains... at 90%
6pgo
RCSB PDB
PDBbind
183aa, >6PGO_1|Chains... at 90%
6p8z
RCSB PDB
PDBbind
183aa, >6P8Z_1|Chains... at 90%
6p8y
RCSB PDB
PDBbind
183aa, >6P8Y_1|Chains... at 90%
6p8x
RCSB PDB
PDBbind
183aa, >6P8X_1|Chains... at 90%
6gj8
RCSB PDB
PDBbind
169aa, >6GJ8_1|Chain... at 99%
6gj7
RCSB PDB
PDBbind
170aa, >6GJ7_1|Chain... at 99%
6gj6
RCSB PDB
PDBbind
170aa, >6GJ6_1|Chain... at 99%
6gj5
RCSB PDB
PDBbind
170aa, >6GJ5_1|Chains... at 98%
6d5w
RCSB PDB
PDBbind
167aa, >6D5W_2|Chain... at 92%
6ccx
RCSB PDB
PDBbind
187aa, >6CCX_2|Chain... at 97%
6oim
RCSB PDB
PDBbind
183aa, >6OIM_1|Chain... at 90%
6cc9
RCSB PDB
PDBbind
187aa, >6CC9_2|Chain... at 97%
6v5l
RCSB PDB
PDBbind
169aa, >6V5L_1|Chain... at 98%
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
6b0y
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
GTPase KRas
Ligand Name
8ZG
EC.Number
E.C.-.-.-.-
Resolution
1.43(Å)
Affinity (Kd/Ki/IC50)
Ki=64uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Nat. Struct. Mol. Biol. Vol. 25: pp. 454-462
Ligand Properties
Formula
C
2
1
H
2
0
ClFN
4
O
Molecular Weight
398.861
Exact Mass
398.131
No. of atoms
48
No. of bonds
51
Polar Surface Area
49.33
LOGP Value
4.09 (
Computed with XLOGP3
)
4.15 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 4
Canonical SMILES
CCC(=O)N1CCN(CC1)c1ncnc2c1cc(Cl)c(c2)c1ccccc1F
InChI String
InChI=1S/C21H20ClFN4O/c1-2-20(28)26-7-9-27(10-8-26)21-16-11-17(22)15(12-19(16)24-13-25-21)14-5-3-4-6-18(14)23/h3-6,11-13H,2,7-10H2,1H3
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):
P01116
Entrez Gene ID
NCBI Entrez Gene ID:
3845
ASD
Information of known allosteric effects of PDB entries
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