Browse entries in the PDBbind-CN Database
HEADER 5C20_COMPLEX COMPND 5C20_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 181 MET GLY PRO SER LEU ASP PHE ALA LEU SER LEU LEU ARG SEQRES 2 A 181 ARG ASN VAL ARG GLN VAL GLN THR ASP GLN GLY HIS PHE SEQRES 3 A 181 THR MET LEU GLY VAL ARG ASP ARG LEU ALA VAL LEU PRO SEQRES 4 A 181 ARG HIS SER GLN PRO GLY LYS THR ILE TRP ILE GLU HIS SEQRES 5 A 181 LYS LEU VAL ASN ILE LEU ASP ALA VAL GLU LEU VAL ASP SEQRES 6 A 181 GLU GLN GLY VAL ASN LEU GLU LEU THR LEU ILE THR LEU SEQRES 7 A 181 ASP THR ASN GLU LYS PHE ARG ASP ILE THR LYS PHE ILE SEQRES 8 A 181 PRO GLU ASN ILE SER THR ALA SER ASP ALA THR LEU VAL SEQRES 9 A 181 ILE ASN THR GLU HIS MET PRO SER MET PHE VAL PRO VAL SEQRES 10 A 181 GLY ASP VAL VAL GLN TYR GLY PHE LEU ASN LEU SER GLY SEQRES 11 A 181 LYS PRO THR HIS ARG THR MET MET TYR ASN PHE PRO THR SEQRES 12 A 181 LYS ALA GLY GLN CYS GLY GLY VAL VAL THR SER VAL GLY SEQRES 13 A 181 LYS VAL ILE GLY ILE HIS ILE GLY GLY ASN GLY ARG GLN SEQRES 14 A 181 GLY PHE CYS ALA GLY LEU LYS ARG SER TYR PHE ALA HET GHZ A 195 60 ATOM 1 N MET A 0 0.289 31.237 26.799 1.00 49.67 N ATOM 2 CA MET A 0 -0.097 30.528 25.535 1.00 48.32 C ATOM 3 C MET A 0 -0.671 31.487 24.499 1.00 44.26 C ATOM 4 O MET A 0 -1.448 32.386 24.812 1.00 41.93 O ATOM 5 CB MET A 0 -1.102 29.410 25.843 1.00 50.33 C ATOM 6 CG MET A 0 -1.549 28.534 24.674 1.00 48.31 C ATOM 7 SD MET A 0 -2.646 27.270 25.361 1.00 46.88 S ATOM 8 CE MET A 0 -1.552 26.284 26.390 1.00 44.88 C ATOM 9 HN3 MET A 0 -0.550 31.695 27.208 1.00 0.00 H ATOM 10 HN2 MET A 0 1.009 31.956 26.585 1.00 0.00 H ATOM 11 HN1 MET A 0 0.675 30.549 27.477 1.00 0.00 H ATOM 12 N GLY A 1 -0.279 31.275 23.255 1.00 44.72 N ATOM 13 CA GLY A 1 -0.635 32.169 22.167 1.00 44.41 C ATOM 14 C GLY A 1 -1.889 31.750 21.404 1.00 46.55 C ATOM 15 O GLY A 1 -2.410 30.643 21.558 1.00 48.25 O ATOM 16 H GLY A 1 0.304 30.439 23.048 1.00 0.00 H ATOM 17 N PRO A 2 -2.369 32.639 20.543 1.00 45.55 N ATOM 18 CA PRO A 2 -3.599 32.538 19.800 1.00 44.19 C ATOM 19 C PRO A 2 -3.925 31.189 19.176 1.00 43.44 C ATOM 20 O PRO A 2 -4.967 30.622 19.525 1.00 43.24 O ATOM 21 CB PRO A 2 -3.375 33.537 18.664 1.00 47.17 C ATOM 22 CG PRO A 2 -1.935 33.875 18.648 1.00 45.08 C ATOM 23 CD PRO A 2 -1.609 33.818 20.105 1.00 45.59 C ATOM 24 N SER A 3 -3.076 30.700 18.251 1.00 40.20 N ATOM 25 CA SER A 3 -3.430 29.531 17.399 1.00 38.31 C ATOM 26 C SER A 3 -3.306 28.181 18.132 1.00 35.15 C ATOM 27 O SER A 3 -4.088 27.250 17.881 1.00 33.64 O ATOM 28 CB SER A 3 -2.606 29.495 16.113 1.00 40.72 C ATOM 29 OG SER A 3 -2.747 30.697 15.384 1.00 44.36 O ATOM 30 HG SER A 3 -2.204 30.646 14.558 1.00 0.00 H ATOM 31 H SER A 3 -2.147 31.152 18.129 1.00 0.00 H ATOM 32 N LEU A 4 -2.335 28.087 19.039 1.00 30.58 N ATOM 33 CA LEU A 4 -2.243 26.941 19.915 1.00 29.00 C ATOM 34 C LEU A 4 -3.493 26.843 20.786 1.00 30.07 C ATOM 35 O LEU A 4 -4.022 25.760 21.012 1.00 31.03 O ATOM 36 CB LEU A 4 -0.988 27.033 20.793 1.00 27.55 C ATOM 37 CG LEU A 4 -0.642 25.769 21.565 1.00 25.62 C ATOM 38 CD1 LEU A 4 -0.418 24.608 20.624 1.00 25.04 C ATOM 39 CD2 LEU A 4 0.584 25.992 22.426 1.00 25.98 C ATOM 40 H LEU A 4 -1.632 28.850 19.118 1.00 0.00 H ATOM 41 N ASP A 5 -3.957 27.983 21.283 1.00 31.50 N ATOM 42 CA ASP A 5 -5.142 28.021 22.152 1.00 31.06 C ATOM 43 C ASP A 5 -6.384 27.600 21.394 1.00 31.83 C ATOM 44 O ASP A 5 -7.210 26.842 21.927 1.00 35.36 O ATOM 45 CB ASP A 5 -5.370 29.412 22.741 1.00 29.63 C ATOM 46 CG ASP A 5 -6.436 29.411 23.795 1.00 28.31 C ATOM 47 OD1 ASP A 5 -6.124 28.987 24.940 1.00 25.73 O ATOM 48 OD2 ASP A 5 -7.574 29.827 23.454 1.00 28.00 O ATOM 49 H ASP A 5 -3.470 28.872 21.052 1.00 0.00 H ATOM 50 N PHE A 6 -6.510 28.082 20.157 1.00 30.54 N ATOM 51 CA PHE A 6 -7.614 27.691 19.294 1.00 29.95 C ATOM 52 C PHE A 6 -7.573 26.211 18.927 1.00 32.54 C ATOM 53 O PHE A 6 -8.579 25.510 19.022 1.00 36.30 O ATOM 54 CB PHE A 6 -7.620 28.525 18.021 1.00 30.20 C ATOM 55 CG PHE A 6 -8.802 28.251 17.123 1.00 30.85 C ATOM 56 CD1 PHE A 6 -10.072 28.773 17.427 1.00 31.14 C ATOM 57 CD2 PHE A 6 -8.660 27.456 15.991 1.00 29.48 C ATOM 58 CE1 PHE A 6 -11.148 28.523 16.593 1.00 31.59 C ATOM 59 CE2 PHE A 6 -9.738 27.197 15.160 1.00 29.36 C ATOM 60 CZ PHE A 6 -10.976 27.721 15.454 1.00 30.90 C ATOM 61 H PHE A 6 -5.801 28.754 19.800 1.00 0.00 H ATOM 62 N ALA A 7 -6.409 25.728 18.507 1.00 34.05 N ATOM 63 CA ALA A 7 -6.280 24.333 18.061 1.00 32.48 C ATOM 64 C ALA A 7 -6.441 23.356 19.238 1.00 29.77 C ATOM 65 O ALA A 7 -6.952 22.244 19.088 1.00 28.64 O ATOM 66 CB ALA A 7 -4.940 24.134 17.357 1.00 32.82 C ATOM 67 H ALA A 7 -5.574 26.348 18.493 1.00 0.00 H ATOM 68 N LEU A 8 -5.997 23.792 20.409 1.00 27.81 N ATOM 69 CA LEU A 8 -6.180 23.020 21.643 1.00 27.07 C ATOM 70 C LEU A 8 -7.626 23.081 22.154 1.00 26.31 C ATOM 71 O LEU A 8 -8.100 22.134 22.795 1.00 24.36 O ATOM 72 CB LEU A 8 -5.195 23.480 22.738 1.00 26.13 C ATOM 73 CG LEU A 8 -3.734 23.006 22.615 1.00 25.23 C ATOM 74 CD1 LEU A 8 -2.960 23.432 23.838 1.00 25.00 C ATOM 75 CD2 LEU A 8 -3.596 21.500 22.471 1.00 24.97 C ATOM 76 H LEU A 8 -5.505 24.707 20.454 1.00 0.00 H ATOM 77 N SER A 9 -8.315 24.189 21.877 1.00 26.58 N ATOM 78 CA SER A 9 -9.718 24.331 22.280 1.00 27.73 C ATOM 79 C SER A 9 -10.610 23.405 21.445 1.00 26.19 C ATOM 80 O SER A 9 -11.564 22.833 21.955 1.00 25.72 O ATOM 81 CB SER A 9 -10.206 25.771 22.127 1.00 28.83 C ATOM 82 OG SER A 9 -10.642 26.009 20.769 1.00 31.66 O ATOM 83 HG SER A 9 -9.886 25.855 20.149 1.00 0.00 H ATOM 84 H SER A 9 -7.849 24.966 21.366 1.00 0.00 H ATOM 85 N LEU A 10 -10.294 23.282 20.160 1.00 25.36 N ATOM 86 CA LEU A 10 -10.953 22.300 19.298 1.00 25.31 C ATOM 87 C LEU A 10 -10.708 20.870 19.779 1.00 25.20 C ATOM 88 O LEU A 10 -11.618 20.040 19.764 1.00 24.42 O ATOM 89 CB LEU A 10 -10.451 22.413 17.857 1.00 25.69 C ATOM 90 CG LEU A 10 -11.009 23.512 16.961 1.00 26.05 C ATOM 91 CD1 LEU A 10 -10.237 23.415 15.653 1.00 28.18 C ATOM 92 CD2 LEU A 10 -12.501 23.335 16.689 1.00 25.28 C ATOM 93 H LEU A 10 -9.560 23.899 19.757 1.00 0.00 H ATOM 94 N LEU A 11 -9.469 20.587 20.193 1.00 24.05 N ATOM 95 CA LEU A 11 -9.110 19.243 20.613 1.00 24.80 C ATOM 96 C LEU A 11 -9.920 18.857 21.838 1.00 27.20 C ATOM 97 O LEU A 11 -10.201 17.678 22.129 1.00 25.78 O ATOM 98 CB LEU A 11 -7.643 19.197 20.965 1.00 25.24 C ATOM 99 CG LEU A 11 -6.643 18.683 19.929 1.00 26.11 C ATOM 100 CD1 LEU A 11 -5.253 18.712 20.578 1.00 25.11 C ATOM 101 CD2 LEU A 11 -7.017 17.286 19.417 1.00 25.79 C ATOM 102 H LEU A 11 -8.752 21.340 20.215 1.00 0.00 H ATOM 103 N ARG A 12 -10.294 19.911 22.546 1.00 31.54 N ATOM 104 CA ARG A 12 -10.887 19.852 23.866 1.00 33.63 C ATOM 105 C ARG A 12 -12.382 19.626 23.713 1.00 32.33 C ATOM 106 O ARG A 12 -12.978 18.788 24.406 1.00 32.58 O ATOM 107 CB ARG A 12 -10.650 21.203 24.554 1.00 37.31 C ATOM 108 CG ARG A 12 -10.143 21.141 25.996 1.00 42.92 C ATOM 109 CD ARG A 12 -9.967 22.557 26.584 1.00 45.13 C ATOM 110 NE ARG A 12 -11.276 23.220 26.763 1.00 44.44 N ATOM 111 CZ ARG A 12 -11.615 24.435 26.317 1.00 43.79 C ATOM 112 NH1 ARG A 12 -10.740 25.226 25.683 1.00 39.11 N ATOM 113 NH2 ARG A 12 -12.857 24.869 26.535 1.00 48.06 N ATOM 114 HE ARG A 12 -12.003 22.691 27.286 1.00 0.00 H ATOM 115 HH12 ARG A 12 -11.036 26.165 25.349 1.00 0.00 H ATOM 116 HH11 ARG A 12 -9.765 24.901 25.525 1.00 0.00 H ATOM 117 HH22 ARG A 12 -13.146 25.810 26.198 1.00 0.00 H ATOM 118 HH21 ARG A 12 -13.537 24.267 27.042 1.00 0.00 H ATOM 119 H ARG A 12 -10.152 20.851 22.123 1.00 0.00 H ATOM 120 N ARG A 13 -12.970 20.371 22.779 1.00 29.18 N ATOM 121 CA ARG A 13 -14.411 20.507 22.684 1.00 28.93 C ATOM 122 C ARG A 13 -15.047 19.890 21.452 1.00 28.67 C ATOM 123 O ARG A 13 -16.234 19.539 21.493 1.00 30.87 O ATOM 124 CB ARG A 13 -14.765 21.978 22.659 1.00 29.83 C ATOM 125 CG ARG A 13 -14.374 22.692 23.919 1.00 31.51 C ATOM 126 CD ARG A 13 -15.519 23.570 24.342 1.00 32.98 C ATOM 127 NE ARG A 13 -15.067 24.892 24.736 1.00 36.06 N ATOM 128 CZ ARG A 13 -15.886 25.850 25.158 1.00 39.82 C ATOM 129 NH1 ARG A 13 -17.202 25.647 25.234 1.00 39.89 N ATOM 130 NH2 ARG A 13 -15.384 27.022 25.523 1.00 44.46 N ATOM 131 HE ARG A 13 -14.049 25.100 24.685 1.00 0.00 H ATOM 132 HH12 ARG A 13 -17.827 26.409 25.567 1.00 0.00 H ATOM 133 HH11 ARG A 13 -17.603 24.727 24.961 1.00 0.00 H ATOM 134 HH22 ARG A 13 -16.016 27.778 25.855 1.00 0.00 H ATOM 135 HH21 ARG A 13 -14.358 27.185 25.478 1.00 0.00 H ATOM 136 H ARG A 13 -12.374 20.874 22.092 1.00 0.00 H ATOM 137 N ASN A 14 -14.309 19.799 20.345 1.00 25.88 N ATOM 138 CA ASN A 14 -14.941 19.429 19.078 1.00 22.92 C ATOM 139 C ASN A 14 -14.373 18.224 18.334 1.00 22.03 C ATOM 140 O ASN A 14 -15.086 17.587 17.583 1.00 22.05 O ATOM 141 CB ASN A 14 -15.001 20.631 18.158 1.00 22.51 C ATOM 142 CG ASN A 14 -15.919 21.722 18.688 1.00 22.52 C ATOM 143 OD1 ASN A 14 -15.492 22.604 19.416 1.00 21.49 O ATOM 144 ND2 ASN A 14 -17.184 21.674 18.293 1.00 22.94 N ATOM 145 HD22 ASN A 14 -17.506 20.904 17.672 1.00 0.00 H ATOM 146 HD21 ASN A 14 -17.854 22.406 18.604 1.00 0.00 H ATOM 147 H ASN A 14 -13.287 19.990 20.382 1.00 0.00 H ATOM 148 N VAL A 15 -13.116 17.892 18.567 1.00 21.62 N ATOM 149 CA VAL A 15 -12.445 16.857 17.824 1.00 21.32 C ATOM 150 C VAL A 15 -12.397 15.587 18.661 1.00 21.36 C ATOM 151 O VAL A 15 -11.850 15.557 19.755 1.00 23.53 O ATOM 152 CB VAL A 15 -11.022 17.317 17.449 1.00 22.90 C ATOM 153 CG1 VAL A 15 -10.220 16.191 16.784 1.00 23.91 C ATOM 154 CG2 VAL A 15 -11.082 18.534 16.531 1.00 23.37 C ATOM 155 H VAL A 15 -12.593 18.395 19.312 1.00 0.00 H ATOM 156 N ARG A 16 -12.942 14.517 18.133 1.00 20.68 N ATOM 157 CA ARG A 16 -13.088 13.318 18.898 1.00 22.14 C ATOM 158 C ARG A 16 -12.345 12.154 18.289 1.00 22.32 C ATOM 159 O ARG A 16 -12.231 12.054 17.048 1.00 20.59 O ATOM 160 CB ARG A 16 -14.582 12.963 19.020 1.00 23.96 C ATOM 161 CG ARG A 16 -15.387 13.992 19.795 1.00 25.82 C ATOM 162 CD ARG A 16 -15.165 13.889 21.304 1.00 27.70 C ATOM 163 NE ARG A 16 -15.907 14.965 21.969 1.00 30.36 N ATOM 164 CZ ARG A 16 -15.375 16.080 22.477 1.00 29.88 C ATOM 165 NH1 ARG A 16 -14.067 16.302 22.468 1.00 29.87 N ATOM 166 NH2 ARG A 16 -16.174 16.966 23.031 1.00 29.92 N ATOM 167 HE ARG A 16 -16.937 14.850 22.052 1.00 0.00 H ATOM 168 HH12 ARG A 16 -13.686 17.181 22.872 1.00 0.00 H ATOM 169 HH11 ARG A 16 -13.423 15.597 22.057 1.00 0.00 H ATOM 170 HH22 ARG A 16 -15.781 17.841 23.433 1.00 0.00 H ATOM 171 HH21 ARG A 16 -17.199 16.791 23.067 1.00 0.00 H ATOM 172 H ARG A 16 -13.272 14.541 17.147 1.00 0.00 H ATOM 173 N GLN A 17 -11.870 11.272 19.185 1.00 22.08 N ATOM 174 CA GLN A 17 -11.288 9.988 18.788 1.00 21.78 C ATOM 175 C GLN A 17 -12.409 9.010 18.610 1.00 20.48 C ATOM 176 O GLN A 17 -13.217 8.823 19.519 1.00 18.81 O ATOM 177 CB GLN A 17 -10.306 9.408 19.824 1.00 22.16 C ATOM 178 CG GLN A 17 -9.597 10.430 20.682 1.00 22.83 C ATOM 179 CD GLN A 17 -8.514 9.831 21.557 1.00 22.36 C ATOM 180 OE1 GLN A 17 -8.652 8.725 22.080 1.00 22.09 O ATOM 181 NE2 GLN A 17 -7.410 10.576 21.713 1.00 21.39 N ATOM 182 HE22 GLN A 17 -7.340 11.505 21.251 1.00 0.00 H ATOM 183 HE21 GLN A 17 -6.624 10.225 22.296 1.00 0.00 H ATOM 184 H GLN A 17 -11.917 11.510 20.196 1.00 0.00 H ATOM 185 N VAL A 18 -12.445 8.375 17.442 1.00 21.55 N ATOM 186 CA VAL A 18 -13.522 7.437 17.119 1.00 22.65 C ATOM 187 C VAL A 18 -12.966 6.204 16.406 1.00 23.10 C ATOM 188 O VAL A 18 -11.802 6.171 16.055 1.00 23.08 O ATOM 189 CB VAL A 18 -14.673 8.102 16.293 1.00 21.59 C ATOM 190 CG1 VAL A 18 -15.203 9.363 16.966 1.00 19.84 C ATOM 191 CG2 VAL A 18 -14.223 8.378 14.856 1.00 21.63 C ATOM 192 H VAL A 18 -11.693 8.548 16.744 1.00 0.00 H ATOM 193 N GLN A 19 -13.808 5.185 16.265 1.00 25.47 N ATOM 194 CA GLN A 19 -13.463 3.917 15.641 1.00 26.01 C ATOM 195 C GLN A 19 -14.673 3.353 14.900 1.00 26.23 C ATOM 196 O GLN A 19 -15.798 3.521 15.344 1.00 27.02 O ATOM 197 CB GLN A 19 -13.045 2.902 16.702 1.00 27.80 C ATOM 198 CG GLN A 19 -11.560 2.669 16.805 1.00 28.38 C ATOM 199 CD GLN A 19 -11.262 1.207 17.067 1.00 30.50 C ATOM 200 OE1 GLN A 19 -11.003 0.415 16.133 1.00 29.43 O ATOM 201 NE2 GLN A 19 -11.297 0.839 18.336 1.00 31.41 N ATOM 202 HE22 GLN A 19 -11.518 1.538 19.074 1.00 0.00 H ATOM 203 HE21 GLN A 19 -11.104 -0.149 18.596 1.00 0.00 H ATOM 204 H GLN A 19 -14.777 5.302 16.624 1.00 0.00 H ATOM 205 N THR A 20 -14.435 2.691 13.775 1.00 26.82 N ATOM 206 CA THR A 20 -15.493 2.084 12.973 1.00 27.10 C ATOM 207 C THR A 20 -14.924 0.806 12.352 1.00 30.73 C ATOM 208 O THR A 20 -13.726 0.535 12.446 1.00 30.71 O ATOM 209 CB THR A 20 -16.027 3.032 11.857 1.00 25.07 C ATOM 210 OG1 THR A 20 -15.173 2.990 10.710 1.00 25.12 O ATOM 211 CG2 THR A 20 -16.099 4.433 12.323 1.00 24.46 C ATOM 212 HG1 THR A 20 -15.528 3.597 10.013 1.00 0.00 H ATOM 213 H THR A 20 -13.451 2.601 13.450 1.00 0.00 H ATOM 214 N ASP A 21 -15.782 0.008 11.721 1.00 33.95 N ATOM 215 CA ASP A 21 -15.322 -1.243 11.091 1.00 33.04 C ATOM 216 C ASP A 21 -14.089 -0.963 10.225 1.00 31.43 C ATOM 217 O ASP A 21 -13.263 -1.851 9.959 1.00 29.20 O ATOM 218 CB ASP A 21 -16.435 -1.885 10.245 1.00 32.29 C ATOM 219 CG ASP A 21 -17.570 -2.437 11.097 1.00 33.76 C ATOM 220 OD1 ASP A 21 -17.524 -2.288 12.335 1.00 32.91 O ATOM 221 OD2 ASP A 21 -18.520 -3.026 10.541 1.00 36.00 O ATOM 222 H ASP A 21 -16.787 0.270 11.672 1.00 0.00 H ATOM 223 N GLN A 22 -13.963 0.284 9.793 1.00 29.03 N ATOM 224 CA GLN A 22 -12.879 0.642 8.902 1.00 28.41 C ATOM 225 C GLN A 22 -11.567 0.951 9.636 1.00 28.91 C ATOM 226 O GLN A 22 -10.488 0.846 9.056 1.00 29.32 O ATOM 227 CB GLN A 22 -13.327 1.798 8.015 1.00 28.18 C ATOM 228 CG GLN A 22 -14.504 1.418 7.117 1.00 29.49 C ATOM 229 CD GLN A 22 -14.231 0.154 6.337 1.00 31.03 C ATOM 230 OE1 GLN A 22 -14.851 -0.877 6.582 1.00 34.36 O ATOM 231 NE2 GLN A 22 -13.267 0.211 5.422 1.00 31.52 N ATOM 232 HE22 GLN A 22 -12.768 1.107 5.248 1.00 0.00 H ATOM 233 HE21 GLN A 22 -13.012 -0.640 4.881 1.00 0.00 H ATOM 234 H GLN A 22 -14.646 1.008 10.095 1.00 0.00 H ATOM 235 N GLY A 23 -11.670 1.305 10.918 1.00 28.49 N ATOM 236 CA GLY A 23 -10.517 1.637 11.743 1.00 27.93 C ATOM 237 C GLY A 23 -10.744 2.903 12.555 1.00 28.02 C ATOM 238 O GLY A 23 -11.895 3.276 12.812 1.00 24.07 O ATOM 239 H GLY A 23 -12.616 1.346 11.348 1.00 0.00 H ATOM 240 N HIS A 24 -9.637 3.571 12.899 1.00 28.37 N ATOM 241 CA HIS A 24 -9.642 4.824 13.656 1.00 28.27 C ATOM 242 C HIS A 24 -9.684 6.043 12.769 1.00 28.45 C ATOM 243 O HIS A 24 -8.942 6.124 11.770 1.00 28.94 O ATOM 244 CB HIS A 24 -8.373 4.950 14.496 1.00 29.51 C ATOM 245 CG HIS A 24 -8.211 3.845 15.482 1.00 30.24 C ATOM 246 ND1 HIS A 24 -8.057 2.530 15.094 1.00 30.08 N ATOM 247 CD2 HIS A 24 -8.241 3.846 16.835 1.00 30.50 C ATOM 248 CE1 HIS A 24 -7.973 1.769 16.169 1.00 31.80 C ATOM 249 NE2 HIS A 24 -8.088 2.540 17.239 1.00 31.62 N ATOM 250 H HIS A 24 -8.719 3.177 12.612 1.00 0.00 H ATOM 251 N PHE A 25 -10.538 7.002 13.154 1.00 26.27 N ATOM 252 CA PHE A 25 -10.714 8.293 12.444 1.00 22.66 C ATOM 253 C PHE A 25 -10.815 9.453 13.434 1.00 21.12 C ATOM 254 O PHE A 25 -10.910 9.245 14.662 1.00 18.51 O ATOM 255 CB PHE A 25 -11.946 8.245 11.552 1.00 23.01 C ATOM 256 CG PHE A 25 -11.860 7.185 10.497 1.00 24.56 C ATOM 257 CD1 PHE A 25 -11.326 7.477 9.235 1.00 24.70 C ATOM 258 CD2 PHE A 25 -12.265 5.869 10.774 1.00 25.87 C ATOM 259 CE1 PHE A 25 -11.230 6.499 8.267 1.00 24.45 C ATOM 260 CE2 PHE A 25 -12.162 4.878 9.804 1.00 25.74 C ATOM 261 CZ PHE A 25 -11.646 5.199 8.549 1.00 25.26 C ATOM 262 H PHE A 25 -11.113 6.830 14.003 1.00 0.00 H ATOM 263 N THR A 26 -10.758 10.676 12.910 1.00 20.72 N ATOM 264 CA THR A 26 -10.902 11.881 13.743 1.00 20.15 C ATOM 265 C THR A 26 -12.259 12.399 13.363 1.00 20.63 C ATOM 266 O THR A 26 -12.563 12.518 12.168 1.00 20.81 O ATOM 267 CB THR A 26 -9.826 12.981 13.477 1.00 19.69 C ATOM 268 OG1 THR A 26 -8.506 12.492 13.752 1.00 19.76 O ATOM 269 CG2 THR A 26 -10.065 14.184 14.365 1.00 19.66 C ATOM 270 HG1 THR A 26 -8.449 12.216 14.701 1.00 0.00 H ATOM 271 H THR A 26 -10.608 10.782 11.886 1.00 0.00 H ATOM 272 N MET A 27 -13.090 12.687 14.363 1.00 20.29 N ATOM 273 CA MET A 27 -14.445 13.169 14.075 1.00 20.30 C ATOM 274 C MET A 27 -14.507 14.642 14.429 1.00 20.63 C ATOM 275 O MET A 27 -13.981 15.023 15.444 1.00 23.06 O ATOM 276 CB MET A 27 -15.499 12.352 14.862 1.00 19.16 C ATOM 277 CG MET A 27 -16.963 12.696 14.543 1.00 17.32 C ATOM 278 SD MET A 27 -18.123 11.909 15.650 1.00 14.72 S ATOM 279 CE MET A 27 -17.724 12.740 17.194 1.00 15.16 C ATOM 280 H MET A 27 -12.778 12.570 15.348 1.00 0.00 H ATOM 281 N LEU A 28 -15.104 15.475 13.582 1.00 20.81 N ATOM 282 CA LEU A 28 -15.384 16.860 13.974 1.00 20.01 C ATOM 283 C LEU A 28 -16.863 17.026 14.373 1.00 20.81 C ATOM 284 O LEU A 28 -17.750 16.920 13.557 1.00 20.27 O ATOM 285 CB LEU A 28 -15.010 17.825 12.846 1.00 18.92 C ATOM 286 CG LEU A 28 -15.228 19.314 13.133 1.00 18.69 C ATOM 287 CD1 LEU A 28 -14.369 19.772 14.320 1.00 18.96 C ATOM 288 CD2 LEU A 28 -14.934 20.138 11.887 1.00 17.96 C ATOM 289 H LEU A 28 -15.374 15.142 12.635 1.00 0.00 H ATOM 290 N GLY A 29 -17.100 17.260 15.657 1.00 22.77 N ATOM 291 CA GLY A 29 -18.427 17.630 16.165 1.00 22.80 C ATOM 292 C GLY A 29 -18.596 19.115 15.889 1.00 23.80 C ATOM 293 O GLY A 29 -17.773 19.943 16.298 1.00 22.81 O ATOM 294 H GLY A 29 -16.313 17.178 16.332 1.00 0.00 H ATOM 295 N VAL A 30 -19.637 19.455 15.138 1.00 24.09 N ATOM 296 CA VAL A 30 -19.803 20.809 14.640 1.00 23.79 C ATOM 297 C VAL A 30 -20.748 21.669 15.481 1.00 23.58 C ATOM 298 O VAL A 30 -20.403 22.785 15.867 1.00 25.31 O ATOM 299 CB VAL A 30 -20.298 20.779 13.194 1.00 23.85 C ATOM 300 CG1 VAL A 30 -20.562 22.194 12.705 1.00 24.91 C ATOM 301 CG2 VAL A 30 -19.270 20.078 12.323 1.00 23.95 C ATOM 302 H VAL A 30 -20.349 18.735 14.901 1.00 0.00 H ATOM 303 N ARG A 31 -21.943 21.171 15.731 1.00 22.45 N ATOM 304 CA ARG A 31 -22.858 21.831 16.627 1.00 22.86 C ATOM 305 C ARG A 31 -23.909 20.830 17.042 1.00 23.05 C ATOM 306 O ARG A 31 -24.185 19.888 16.306 1.00 23.39 O ATOM 307 CB ARG A 31 -23.515 23.026 15.964 1.00 23.55 C ATOM 308 CG ARG A 31 -24.196 22.712 14.637 1.00 24.67 C ATOM 309 CD ARG A 31 -25.540 23.433 14.530 1.00 25.21 C ATOM 310 NE ARG A 31 -26.148 23.206 13.224 1.00 27.68 N ATOM 311 CZ ARG A 31 -27.211 22.427 12.992 1.00 29.25 C ATOM 312 NH1 ARG A 31 -27.843 21.823 13.990 1.00 30.49 N ATOM 313 NH2 ARG A 31 -27.676 22.282 11.759 1.00 30.05 N ATOM 314 HE ARG A 31 -25.721 23.688 12.407 1.00 0.00 H ATOM 315 HH12 ARG A 31 -28.668 21.220 13.794 1.00 0.00 H ATOM 316 HH11 ARG A 31 -27.514 21.952 14.968 1.00 0.00 H ATOM 317 HH22 ARG A 31 -28.502 21.676 11.583 1.00 0.00 H ATOM 318 HH21 ARG A 31 -27.214 22.775 10.968 1.00 0.00 H ATOM 319 H ARG A 31 -22.231 20.283 15.272 1.00 0.00 H ATOM 320 N ASP A 32 -24.506 21.026 18.212 1.00 23.12 N ATOM 321 CA ASP A 32 -25.591 20.166 18.628 1.00 23.80 C ATOM 322 C ASP A 32 -25.156 18.722 18.634 1.00 23.34 C ATOM 323 O ASP A 32 -24.179 18.389 19.268 1.00 24.60 O ATOM 324 CB ASP A 32 -26.805 20.356 17.697 1.00 24.71 C ATOM 325 CG ASP A 32 -27.448 21.693 17.876 1.00 25.90 C ATOM 326 OD1 ASP A 32 -27.779 22.034 19.030 1.00 28.99 O ATOM 327 OD2 ASP A 32 -27.617 22.406 16.873 1.00 25.91 O ATOM 328 H ASP A 32 -24.192 21.801 18.831 1.00 0.00 H ATOM 329 N ARG A 33 -25.892 17.866 17.937 1.00 22.93 N ATOM 330 CA ARG A 33 -25.593 16.439 17.887 1.00 22.73 C ATOM 331 C ARG A 33 -25.069 16.040 16.530 1.00 21.10 C ATOM 332 O ARG A 33 -24.948 14.855 16.213 1.00 21.21 O ATOM 333 CB ARG A 33 -26.845 15.629 18.188 1.00 25.71 C ATOM 334 CG ARG A 33 -26.974 15.245 19.633 1.00 28.64 C ATOM 335 CD ARG A 33 -28.367 15.506 20.141 1.00 32.07 C ATOM 336 NE ARG A 33 -28.360 15.611 21.587 1.00 37.87 N ATOM 337 CZ ARG A 33 -28.654 16.718 22.284 1.00 48.12 C ATOM 338 NH1 ARG A 33 -28.986 17.884 21.689 1.00 50.49 N ATOM 339 NH2 ARG A 33 -28.625 16.652 23.620 1.00 50.18 N ATOM 340 HE ARG A 33 -28.107 14.759 22.127 1.00 0.00 H ATOM 341 HH12 ARG A 33 -29.207 18.719 22.268 1.00 0.00 H ATOM 342 HH11 ARG A 33 -29.021 17.947 20.651 1.00 0.00 H ATOM 343 HH22 ARG A 33 -28.848 17.495 24.187 1.00 0.00 H ATOM 344 HH21 ARG A 33 -28.379 15.758 24.091 1.00 0.00 H ATOM 345 H ARG A 33 -26.712 18.225 17.407 1.00 0.00 H ATOM 346 N LEU A 34 -24.732 17.048 15.746 1.00 19.94 N ATOM 347 CA LEU A 34 -24.228 16.880 14.402 1.00 19.06 C ATOM 348 C LEU A 34 -22.681 16.824 14.378 1.00 18.51 C ATOM 349 O LEU A 34 -21.978 17.730 14.812 1.00 16.11 O ATOM 350 CB LEU A 34 -24.746 18.057 13.549 1.00 19.35 C ATOM 351 CG LEU A 34 -24.325 18.185 12.093 1.00 19.19 C ATOM 352 CD1 LEU A 34 -24.819 17.034 11.259 1.00 19.74 C ATOM 353 CD2 LEU A 34 -24.893 19.458 11.553 1.00 19.60 C ATOM 354 H LEU A 34 -24.835 18.015 16.116 1.00 0.00 H ATOM 355 N ALA A 35 -22.173 15.722 13.860 1.00 19.69 N ATOM 356 CA ALA A 35 -20.757 15.558 13.595 1.00 21.01 C ATOM 357 C ALA A 35 -20.491 15.309 12.100 1.00 21.56 C ATOM 358 O ALA A 35 -21.398 15.085 11.326 1.00 24.34 O ATOM 359 CB ALA A 35 -20.220 14.405 14.427 1.00 21.25 C ATOM 360 H ALA A 35 -22.816 14.937 13.632 1.00 0.00 H ATOM 361 N VAL A 36 -19.235 15.336 11.694 1.00 21.83 N ATOM 362 CA VAL A 36 -18.890 15.037 10.325 1.00 21.39 C ATOM 363 C VAL A 36 -17.685 14.085 10.313 1.00 22.64 C ATOM 364 O VAL A 36 -16.735 14.244 11.090 1.00 21.53 O ATOM 365 CB VAL A 36 -18.604 16.337 9.551 1.00 21.43 C ATOM 366 CG1 VAL A 36 -17.401 17.066 10.118 1.00 21.66 C ATOM 367 CG2 VAL A 36 -18.420 16.066 8.061 1.00 21.39 C ATOM 368 H VAL A 36 -18.483 15.576 12.371 1.00 0.00 H ATOM 369 N LEU A 37 -17.734 13.090 9.437 1.00 22.89 N ATOM 370 CA LEU A 37 -16.608 12.153 9.249 1.00 24.02 C ATOM 371 C LEU A 37 -16.301 12.019 7.754 1.00 23.14 C ATOM 372 O LEU A 37 -17.158 12.377 6.930 1.00 22.18 O ATOM 373 CB LEU A 37 -17.019 10.754 9.731 1.00 25.09 C ATOM 374 CG LEU A 37 -17.178 10.464 11.200 1.00 25.20 C ATOM 375 CD1 LEU A 37 -17.988 9.200 11.331 1.00 25.73 C ATOM 376 CD2 LEU A 37 -15.812 10.276 11.824 1.00 25.88 C ATOM 377 H LEU A 37 -18.593 12.966 8.864 1.00 0.00 H ATOM 378 N PRO A 38 -15.128 11.445 7.394 1.00 21.88 N ATOM 379 CA PRO A 38 -14.890 11.067 5.997 1.00 22.69 C ATOM 380 C PRO A 38 -15.883 10.008 5.587 1.00 24.45 C ATOM 381 O PRO A 38 -16.269 9.164 6.400 1.00 25.80 O ATOM 382 CB PRO A 38 -13.477 10.469 6.002 1.00 21.40 C ATOM 383 CG PRO A 38 -12.852 11.052 7.206 1.00 21.11 C ATOM 384 CD PRO A 38 -13.957 11.155 8.223 1.00 21.43 C ATOM 385 N ARG A 39 -16.294 10.036 4.330 1.00 26.50 N ATOM 386 CA ARG A 39 -17.339 9.115 3.878 1.00 27.73 C ATOM 387 C ARG A 39 -16.881 7.650 4.019 1.00 28.44 C ATOM 388 O ARG A 39 -17.636 6.810 4.531 1.00 28.77 O ATOM 389 CB ARG A 39 -17.804 9.443 2.460 1.00 27.66 C ATOM 390 CG ARG A 39 -19.175 8.879 2.129 1.00 29.83 C ATOM 391 CD ARG A 39 -19.239 8.480 0.662 1.00 32.94 C ATOM 392 NE ARG A 39 -17.883 8.251 0.156 1.00 35.83 N ATOM 393 CZ ARG A 39 -17.320 7.054 -0.079 1.00 34.61 C ATOM 394 NH1 ARG A 39 -18.022 5.928 0.115 1.00 33.55 N ATOM 395 NH2 ARG A 39 -16.044 6.999 -0.525 1.00 30.90 N ATOM 396 HE ARG A 39 -17.303 9.092 -0.039 1.00 0.00 H ATOM 397 HH12 ARG A 39 -17.583 5.003 -0.068 1.00 0.00 H ATOM 398 HH11 ARG A 39 -19.006 5.979 0.448 1.00 0.00 H ATOM 399 HH22 ARG A 39 -15.597 6.078 -0.711 1.00 0.00 H ATOM 400 HH21 ARG A 39 -15.510 7.877 -0.682 1.00 0.00 H ATOM 401 H ARG A 39 -15.874 10.713 3.662 1.00 0.00 H ATOM 402 N HIS A 40 -15.629 7.381 3.630 1.00 28.31 N ATOM 403 CA HIS A 40 -15.111 6.025 3.533 1.00 28.17 C ATOM 404 C HIS A 40 -14.937 5.411 4.896 1.00 28.22 C ATOM 405 O HIS A 40 -14.692 4.208 5.025 1.00 28.64 O ATOM 406 CB HIS A 40 -13.788 5.983 2.741 1.00 29.54 C ATOM 407 CG HIS A 40 -12.625 6.648 3.424 1.00 28.63 C ATOM 408 ND1 HIS A 40 -12.325 7.985 3.250 1.00 27.58 N ATOM 409 CD2 HIS A 40 -11.667 6.147 4.240 1.00 27.21 C ATOM 410 CE1 HIS A 40 -11.237 8.281 3.938 1.00 27.39 C ATOM 411 NE2 HIS A 40 -10.822 7.186 4.553 1.00 27.58 N ATOM 412 H HIS A 40 -15.001 8.174 3.387 1.00 0.00 H ATOM 413 N SER A 41 -15.070 6.244 5.921 1.00 28.97 N ATOM 414 CA SER A 41 -15.050 5.784 7.307 1.00 27.74 C ATOM 415 C SER A 41 -16.206 4.808 7.547 1.00 28.22 C ATOM 416 O SER A 41 -16.138 3.976 8.435 1.00 28.57 O ATOM 417 CB SER A 41 -15.095 6.974 8.245 1.00 25.95 C ATOM 418 OG SER A 41 -16.108 6.840 9.174 1.00 28.22 O ATOM 419 HG SER A 41 -15.957 6.021 9.709 1.00 0.00 H ATOM 420 H SER A 41 -15.193 7.259 5.731 1.00 0.00 H ATOM 421 N GLN A 42 -17.260 4.912 6.735 1.00 28.65 N ATOM 422 CA GLN A 42 -18.333 3.931 6.717 1.00 30.04 C ATOM 423 C GLN A 42 -18.985 3.670 8.058 1.00 32.14 C ATOM 424 O GLN A 42 -19.086 2.513 8.503 1.00 33.10 O ATOM 425 CB GLN A 42 -17.822 2.614 6.191 1.00 33.26 C ATOM 426 CG GLN A 42 -18.417 2.163 4.847 1.00 33.11 C ATOM 427 CD GLN A 42 -17.492 1.122 4.219 1.00 33.98 C ATOM 428 OE1 GLN A 42 -17.716 -0.106 4.342 1.00 33.00 O ATOM 429 NE2 GLN A 42 -16.408 1.610 3.589 1.00 31.93 N ATOM 430 HE22 GLN A 42 -16.269 2.638 3.514 1.00 0.00 H ATOM 431 HE21 GLN A 42 -15.709 0.959 3.177 1.00 0.00 H ATOM 432 H GLN A 42 -17.316 5.726 6.090 1.00 0.00 H ATOM 433 N PRO A 43 -19.444 4.740 8.712 1.00 33.08 N ATOM 434 CA PRO A 43 -20.113 4.604 9.995 1.00 33.99 C ATOM 435 C PRO A 43 -21.398 3.791 9.893 1.00 32.75 C ATOM 436 O PRO A 43 -22.137 3.932 8.939 1.00 32.92 O ATOM 437 CB PRO A 43 -20.419 6.054 10.365 1.00 35.53 C ATOM 438 CG PRO A 43 -20.515 6.765 9.055 1.00 33.46 C ATOM 439 CD PRO A 43 -19.524 6.110 8.179 1.00 32.27 C ATOM 440 N GLY A 44 -21.648 2.948 10.893 1.00 34.91 N ATOM 441 CA GLY A 44 -22.809 2.042 10.924 1.00 32.34 C ATOM 442 C GLY A 44 -23.903 2.624 11.794 1.00 31.54 C ATOM 443 O GLY A 44 -24.168 3.835 11.748 1.00 31.51 O ATOM 444 H GLY A 44 -20.987 2.928 11.696 1.00 0.00 H ATOM 445 N LYS A 45 -24.550 1.768 12.577 1.00 30.25 N ATOM 446 CA LYS A 45 -25.669 2.192 13.402 1.00 29.91 C ATOM 447 C LYS A 45 -25.141 2.697 14.703 1.00 28.58 C ATOM 448 O LYS A 45 -25.804 3.450 15.412 1.00 29.66 O ATOM 449 CB LYS A 45 -26.644 1.047 13.636 1.00 32.36 C ATOM 450 CG LYS A 45 -27.348 0.563 12.366 1.00 34.66 C ATOM 451 CD LYS A 45 -28.342 1.594 11.837 1.00 36.45 C ATOM 452 CE LYS A 45 -29.188 1.025 10.702 1.00 38.74 C ATOM 453 NZ LYS A 45 -28.545 1.107 9.353 1.00 39.47 N ATOM 454 HZ1 LYS A 45 -28.354 2.103 9.121 1.00 0.00 H ATOM 455 HZ2 LYS A 45 -27.651 0.575 9.363 1.00 0.00 H ATOM 456 HZ3 LYS A 45 -29.184 0.700 8.640 1.00 0.00 H ATOM 457 H LYS A 45 -24.249 0.773 12.600 1.00 0.00 H ATOM 458 N THR A 46 -23.921 2.304 15.012 1.00 29.54 N ATOM 459 CA THR A 46 -23.237 2.789 16.220 1.00 29.42 C ATOM 460 C THR A 46 -21.803 3.187 15.896 1.00 28.01 C ATOM 461 O THR A 46 -21.231 2.747 14.879 1.00 28.98 O ATOM 462 CB THR A 46 -23.196 1.705 17.306 1.00 29.17 C ATOM 463 OG1 THR A 46 -22.911 0.430 16.693 1.00 27.25 O ATOM 464 CG2 THR A 46 -24.542 1.676 18.086 1.00 29.18 C ATOM 465 HG1 THR A 46 -22.884 -0.272 17.391 1.00 0.00 H ATOM 466 H THR A 46 -23.430 1.634 14.386 1.00 0.00 H ATOM 467 N ILE A 47 -21.237 4.031 16.749 1.00 25.35 N ATOM 468 CA ILE A 47 -19.858 4.409 16.606 1.00 23.70 C ATOM 469 C ILE A 47 -19.207 4.548 17.969 1.00 24.63 C ATOM 470 O ILE A 47 -19.770 5.128 18.885 1.00 24.73 O ATOM 471 CB ILE A 47 -19.707 5.692 15.783 1.00 23.17 C ATOM 472 CG1 ILE A 47 -18.230 5.858 15.353 1.00 23.62 C ATOM 473 CG2 ILE A 47 -20.244 6.881 16.552 1.00 22.64 C ATOM 474 CD1 ILE A 47 -18.010 6.739 14.141 1.00 23.13 C ATOM 475 H ILE A 47 -21.799 4.424 17.531 1.00 0.00 H ATOM 476 N TRP A 48 -18.016 3.980 18.100 1.00 26.65 N ATOM 477 CA TRP A 48 -17.203 4.167 19.286 1.00 25.93 C ATOM 478 C TRP A 48 -16.701 5.589 19.362 1.00 24.75 C ATOM 479 O TRP A 48 -16.008 6.050 18.460 1.00 27.07 O ATOM 480 CB TRP A 48 -16.004 3.226 19.249 1.00 25.45 C ATOM 481 CG TRP A 48 -15.260 3.265 20.543 1.00 25.01 C ATOM 482 CD1 TRP A 48 -14.054 3.847 20.772 1.00 25.27 C ATOM 483 CD2 TRP A 48 -15.688 2.721 21.808 1.00 26.21 C ATOM 484 NE1 TRP A 48 -13.678 3.685 22.090 1.00 25.38 N ATOM 485 CE2 TRP A 48 -14.657 2.992 22.748 1.00 27.27 C ATOM 486 CE3 TRP A 48 -16.834 2.007 22.238 1.00 26.85 C ATOM 487 CZ2 TRP A 48 -14.739 2.594 24.096 1.00 28.69 C ATOM 488 CZ3 TRP A 48 -16.920 1.606 23.568 1.00 26.48 C ATOM 489 CH2 TRP A 48 -15.878 1.900 24.481 1.00 29.74 C ATOM 490 HE1 TRP A 48 -12.794 4.033 22.514 1.00 0.00 H ATOM 491 H TRP A 48 -17.654 3.383 17.329 1.00 0.00 H ATOM 492 N ILE A 49 -17.050 6.297 20.418 1.00 23.77 N ATOM 493 CA ILE A 49 -16.515 7.638 20.612 1.00 23.65 C ATOM 494 C ILE A 49 -15.794 7.711 21.944 1.00 24.25 C ATOM 495 O ILE A 49 -16.399 7.999 22.992 1.00 22.35 O ATOM 496 CB ILE A 49 -17.603 8.705 20.544 1.00 24.22 C ATOM 497 CG1 ILE A 49 -18.066 8.895 19.110 1.00 24.09 C ATOM 498 CG2 ILE A 49 -17.103 10.034 21.107 1.00 26.08 C ATOM 499 CD1 ILE A 49 -19.544 9.213 19.009 1.00 23.73 C ATOM 500 H ILE A 49 -17.710 5.897 21.115 1.00 0.00 H ATOM 501 N GLU A 50 -14.500 7.404 21.868 1.00 26.80 N ATOM 502 CA GLU A 50 -13.545 7.564 22.954 1.00 29.00 C ATOM 503 C GLU A 50 -13.689 6.589 24.104 1.00 29.95 C ATOM 504 O GLU A 50 -12.831 5.776 24.339 1.00 29.95 O ATOM 505 CB GLU A 50 -13.572 9.005 23.446 1.00 30.88 C ATOM 506 CG GLU A 50 -12.274 9.760 23.157 1.00 35.47 C ATOM 507 CD GLU A 50 -12.510 11.236 22.959 1.00 36.67 C ATOM 508 OE1 GLU A 50 -13.514 11.750 23.473 1.00 40.85 O ATOM 509 OE2 GLU A 50 -11.708 11.880 22.271 1.00 37.96 O ATOM 510 H GLU A 50 -14.147 7.022 20.967 1.00 0.00 H ATOM 511 N HIS A 51 -14.775 6.686 24.839 1.00 36.35 N ATOM 512 CA HIS A 51 -14.979 5.829 26.014 1.00 37.81 C ATOM 513 C HIS A 51 -16.276 5.037 25.940 1.00 33.03 C ATOM 514 O HIS A 51 -16.504 4.159 26.765 1.00 33.58 O ATOM 515 CB HIS A 51 -14.940 6.668 27.294 1.00 42.20 C ATOM 516 CG HIS A 51 -15.938 7.790 27.312 1.00 50.87 C ATOM 517 ND1 HIS A 51 -15.689 9.020 26.732 1.00 53.65 N ATOM 518 CD2 HIS A 51 -17.188 7.868 27.840 1.00 54.76 C ATOM 519 CE1 HIS A 51 -16.740 9.805 26.906 1.00 56.23 C ATOM 520 NE2 HIS A 51 -17.663 9.130 27.572 1.00 56.48 N ATOM 521 H HIS A 51 -15.503 7.383 24.583 1.00 0.00 H ATOM 522 N LYS A 52 -17.126 5.347 24.965 1.00 29.86 N ATOM 523 CA LYS A 52 -18.384 4.656 24.844 1.00 29.33 C ATOM 524 C LYS A 52 -18.876 4.540 23.423 1.00 26.47 C ATOM 525 O LYS A 52 -18.500 5.311 22.564 1.00 27.91 O ATOM 526 CB LYS A 52 -19.437 5.324 25.706 1.00 32.04 C ATOM 527 CG LYS A 52 -19.961 6.617 25.144 1.00 36.82 C ATOM 528 CD LYS A 52 -20.824 7.332 26.171 1.00 40.17 C ATOM 529 CE LYS A 52 -20.721 8.840 25.972 1.00 46.62 C ATOM 530 NZ LYS A 52 -20.964 9.580 27.247 1.00 50.51 N ATOM 531 HZ1 LYS A 52 -21.917 9.359 27.599 1.00 0.00 H ATOM 532 HZ2 LYS A 52 -20.257 9.292 27.954 1.00 0.00 H ATOM 533 HZ3 LYS A 52 -20.886 10.602 27.073 1.00 0.00 H ATOM 534 H LYS A 52 -16.880 6.094 24.285 1.00 0.00 H ATOM 535 N LEU A 53 -19.743 3.556 23.194 1.00 23.81 N ATOM 536 CA LEU A 53 -20.417 3.347 21.909 1.00 21.50 C ATOM 537 C LEU A 53 -21.654 4.250 21.814 1.00 19.99 C ATOM 538 O LEU A 53 -22.534 4.249 22.675 1.00 17.60 O ATOM 539 CB LEU A 53 -20.799 1.883 21.781 1.00 22.47 C ATOM 540 CG LEU A 53 -21.352 1.338 20.473 1.00 24.85 C ATOM 541 CD1 LEU A 53 -20.216 1.017 19.529 1.00 26.52 C ATOM 542 CD2 LEU A 53 -22.182 0.097 20.739 1.00 25.63 C ATOM 543 H LEU A 53 -19.954 2.898 23.971 1.00 0.00 H ATOM 544 N VAL A 54 -21.701 5.052 20.769 1.00 19.29 N ATOM 545 CA VAL A 54 -22.730 6.068 20.656 1.00 20.24 C ATOM 546 C VAL A 54 -23.636 5.725 19.502 1.00 21.35 C ATOM 547 O VAL A 54 -23.188 5.363 18.414 1.00 21.63 O ATOM 548 CB VAL A 54 -22.134 7.480 20.446 1.00 19.92 C ATOM 549 CG1 VAL A 54 -23.224 8.513 20.257 1.00 18.95 C ATOM 550 CG2 VAL A 54 -21.231 7.852 21.630 1.00 19.70 C ATOM 551 H VAL A 54 -20.991 4.955 20.015 1.00 0.00 H ATOM 552 N ASN A 55 -24.926 5.826 19.756 1.00 22.71 N ATOM 553 CA ASN A 55 -25.898 5.564 18.724 1.00 25.92 C ATOM 554 C ASN A 55 -25.863 6.636 17.633 1.00 23.23 C ATOM 555 O ASN A 55 -25.792 7.797 17.929 1.00 22.17 O ATOM 556 CB ASN A 55 -27.292 5.558 19.370 1.00 31.79 C ATOM 557 CG ASN A 55 -28.103 4.380 18.960 1.00 35.01 C ATOM 558 OD1 ASN A 55 -29.246 4.502 18.472 1.00 34.74 O ATOM 559 ND2 ASN A 55 -27.489 3.205 19.135 1.00 37.36 N ATOM 560 HD22 ASN A 55 -26.535 3.173 19.548 1.00 0.00 H ATOM 561 HD21 ASN A 55 -27.966 2.323 18.858 1.00 0.00 H ATOM 562 H ASN A 55 -25.245 6.097 20.708 1.00 0.00 H ATOM 563 N ILE A 56 -25.950 6.233 16.385 1.00 23.27 N ATOM 564 CA ILE A 56 -26.077 7.200 15.315 1.00 25.53 C ATOM 565 C ILE A 56 -27.514 7.174 14.810 1.00 27.10 C ATOM 566 O ILE A 56 -28.031 6.122 14.435 1.00 29.68 O ATOM 567 CB ILE A 56 -25.120 6.907 14.149 1.00 25.70 C ATOM 568 CG1 ILE A 56 -23.672 7.163 14.583 1.00 25.96 C ATOM 569 CG2 ILE A 56 -25.456 7.782 12.947 1.00 24.89 C ATOM 570 CD1 ILE A 56 -22.653 6.671 13.585 1.00 25.85 C ATOM 571 H ILE A 56 -25.928 5.217 16.165 1.00 0.00 H ATOM 572 N LEU A 57 -28.163 8.331 14.811 1.00 26.81 N ATOM 573 CA LEU A 57 -29.559 8.404 14.400 1.00 27.39 C ATOM 574 C LEU A 57 -29.722 8.525 12.863 1.00 30.08 C ATOM 575 O LEU A 57 -30.650 7.983 12.291 1.00 29.99 O ATOM 576 CB LEU A 57 -30.241 9.563 15.122 1.00 24.98 C ATOM 577 CG LEU A 57 -30.238 9.433 16.652 1.00 23.48 C ATOM 578 CD1 LEU A 57 -30.658 10.748 17.340 1.00 21.82 C ATOM 579 CD2 LEU A 57 -31.109 8.256 17.113 1.00 22.92 C ATOM 580 H LEU A 57 -27.669 9.197 15.109 1.00 0.00 H ATOM 581 N ASP A 58 -28.801 9.224 12.217 1.00 32.66 N ATOM 582 CA ASP A 58 -28.949 9.592 10.832 1.00 35.97 C ATOM 583 C ASP A 58 -27.574 9.771 10.216 1.00 34.74 C ATOM 584 O ASP A 58 -26.644 10.243 10.873 1.00 35.47 O ATOM 585 CB ASP A 58 -29.721 10.912 10.753 1.00 40.84 C ATOM 586 CG ASP A 58 -30.506 11.041 9.472 1.00 47.43 C ATOM 587 OD1 ASP A 58 -31.326 10.137 9.206 1.00 56.83 O ATOM 588 OD2 ASP A 58 -30.332 12.040 8.735 1.00 49.00 O ATOM 589 H ASP A 58 -27.943 9.517 12.726 1.00 0.00 H ATOM 590 N ALA A 59 -27.429 9.380 8.960 1.00 33.22 N ATOM 591 CA ALA A 59 -26.119 9.452 8.304 1.00 33.08 C ATOM 592 C ALA A 59 -26.302 9.888 6.862 1.00 33.20 C ATOM 593 O ALA A 59 -26.964 9.231 6.097 1.00 32.56 O ATOM 594 CB ALA A 59 -25.370 8.126 8.391 1.00 31.24 C ATOM 595 H ALA A 59 -28.250 9.019 8.434 1.00 0.00 H ATOM 596 N VAL A 60 -25.719 11.028 6.514 1.00 35.84 N ATOM 597 CA VAL A 60 -26.008 11.674 5.255 1.00 36.36 C ATOM 598 C VAL A 60 -24.712 11.912 4.499 1.00 42.56 C ATOM 599 O VAL A 60 -23.883 12.749 4.902 1.00 38.76 O ATOM 600 CB VAL A 60 -26.715 13.011 5.462 1.00 33.21 C ATOM 601 CG1 VAL A 60 -26.824 13.770 4.146 1.00 33.94 C ATOM 602 CG2 VAL A 60 -28.070 12.779 6.079 1.00 32.81 C ATOM 603 H VAL A 60 -25.037 11.467 7.164 1.00 0.00 H ATOM 604 N GLU A 61 -24.580 11.171 3.389 1.00 47.69 N ATOM 605 CA GLU A 61 -23.371 11.194 2.542 1.00 46.99 C ATOM 606 C GLU A 61 -23.552 12.297 1.507 1.00 46.99 C ATOM 607 O GLU A 61 -24.575 12.322 0.815 1.00 54.90 O ATOM 608 CB GLU A 61 -23.153 9.832 1.867 1.00 43.84 C ATOM 609 CG GLU A 61 -23.641 8.631 2.680 1.00 41.32 C ATOM 610 CD GLU A 61 -22.785 7.395 2.428 1.00 42.90 C ATOM 611 OE1 GLU A 61 -22.496 7.085 1.228 1.00 44.46 O ATOM 612 OE2 GLU A 61 -22.378 6.744 3.421 1.00 36.02 O ATOM 613 H GLU A 61 -25.367 10.550 3.112 1.00 0.00 H ATOM 614 N LEU A 62 -22.591 13.215 1.399 1.00 44.55 N ATOM 615 CA LEU A 62 -22.815 14.456 0.635 1.00 41.12 C ATOM 616 C LEU A 62 -22.339 14.393 -0.802 1.00 41.40 C ATOM 617 O LEU A 62 -21.210 13.971 -1.093 1.00 40.46 O ATOM 618 CB LEU A 62 -22.158 15.670 1.312 1.00 40.16 C ATOM 619 CG LEU A 62 -22.714 16.126 2.648 1.00 40.56 C ATOM 620 CD1 LEU A 62 -22.022 17.417 3.030 1.00 41.64 C ATOM 621 CD2 LEU A 62 -24.219 16.325 2.564 1.00 42.54 C ATOM 622 H LEU A 62 -21.672 13.054 1.859 1.00 0.00 H ATOM 623 N VAL A 63 -23.199 14.892 -1.691 1.00 42.45 N ATOM 624 CA VAL A 63 -22.927 14.888 -3.123 1.00 43.49 C ATOM 625 C VAL A 63 -23.056 16.288 -3.674 1.00 44.91 C ATOM 626 O VAL A 63 -23.860 17.073 -3.178 1.00 48.76 O ATOM 627 CB VAL A 63 -23.918 13.970 -3.868 1.00 43.26 C ATOM 628 CG1 VAL A 63 -23.655 12.510 -3.537 1.00 41.68 C ATOM 629 CG2 VAL A 63 -25.362 14.352 -3.534 1.00 41.34 C ATOM 630 H VAL A 63 -24.094 15.298 -1.351 1.00 0.00 H ATOM 631 N ASP A 64 -22.261 16.602 -4.694 1.00 47.99 N ATOM 632 CA ASP A 64 -22.348 17.914 -5.362 1.00 52.35 C ATOM 633 C ASP A 64 -23.464 17.970 -6.418 1.00 56.54 C ATOM 634 O ASP A 64 -24.075 16.950 -6.737 1.00 58.87 O ATOM 635 CB ASP A 64 -20.988 18.348 -5.934 1.00 51.86 C ATOM 636 CG ASP A 64 -20.652 17.673 -7.232 1.00 50.95 C ATOM 637 OD1 ASP A 64 -21.427 16.799 -7.659 1.00 49.98 O ATOM 638 OD2 ASP A 64 -19.614 18.036 -7.822 1.00 49.58 O ATOM 639 H ASP A 64 -21.563 15.907 -5.027 1.00 0.00 H ATOM 640 N GLU A 65 -23.729 19.174 -6.932 1.00 61.15 N ATOM 641 CA GLU A 65 -24.916 19.435 -7.759 1.00 63.83 C ATOM 642 C GLU A 65 -25.101 18.422 -8.869 1.00 62.82 C ATOM 643 O GLU A 65 -26.230 18.147 -9.277 1.00 59.06 O ATOM 644 CB GLU A 65 -24.876 20.849 -8.386 1.00 67.04 C ATOM 645 CG GLU A 65 -25.733 21.895 -7.694 1.00 70.25 C ATOM 646 CD GLU A 65 -27.222 21.554 -7.597 1.00 80.11 C ATOM 647 OE1 GLU A 65 -27.679 20.476 -8.073 1.00 89.73 O ATOM 648 OE2 GLU A 65 -27.953 22.405 -7.022 1.00 79.09 O ATOM 649 H GLU A 65 -23.071 19.956 -6.740 1.00 0.00 H ATOM 650 N GLN A 66 -23.976 17.872 -9.324 1.00 62.07 N ATOM 651 CA GLN A 66 -23.931 16.899 -10.400 1.00 63.19 C ATOM 652 C GLN A 66 -23.971 15.492 -9.817 1.00 58.32 C ATOM 653 O GLN A 66 -23.498 14.528 -10.441 1.00 57.68 O ATOM 654 CB GLN A 66 -22.627 17.030 -11.197 1.00 68.61 C ATOM 655 CG GLN A 66 -21.986 18.406 -11.214 1.00 72.77 C ATOM 656 CD GLN A 66 -20.500 18.361 -11.573 1.00 73.32 C ATOM 657 OE1 GLN A 66 -19.968 17.346 -12.057 1.00 62.91 O ATOM 658 NE2 GLN A 66 -19.818 19.479 -11.333 1.00 76.87 N ATOM 659 HE22 GLN A 66 -20.301 20.306 -10.927 1.00 0.00 H ATOM 660 HE21 GLN A 66 -18.802 19.525 -11.551 1.00 0.00 H ATOM 661 H GLN A 66 -23.078 18.156 -8.883 1.00 0.00 H ATOM 662 N GLY A 67 -24.481 15.379 -8.598 1.00 55.66 N ATOM 663 CA GLY A 67 -24.558 14.085 -7.910 1.00 50.42 C ATOM 664 C GLY A 67 -23.269 13.366 -7.551 1.00 46.73 C ATOM 665 O GLY A 67 -23.318 12.169 -7.239 1.00 44.37 O ATOM 666 H GLY A 67 -24.836 16.230 -8.117 1.00 0.00 H ATOM 667 N VAL A 68 -22.135 14.081 -7.565 1.00 43.17 N ATOM 668 CA VAL A 68 -20.799 13.493 -7.281 1.00 40.85 C ATOM 669 C VAL A 68 -20.369 13.572 -5.797 1.00 40.62 C ATOM 670 O VAL A 68 -20.823 14.429 -5.037 1.00 43.60 O ATOM 671 CB VAL A 68 -19.706 14.089 -8.209 1.00 41.25 C ATOM 672 CG1 VAL A 68 -18.287 13.699 -7.793 1.00 42.24 C ATOM 673 CG2 VAL A 68 -19.934 13.596 -9.630 1.00 43.02 C ATOM 674 H VAL A 68 -22.192 15.096 -7.785 1.00 0.00 H ATOM 675 N ASN A 69 -19.505 12.635 -5.414 1.00 36.99 N ATOM 676 CA ASN A 69 -18.985 12.482 -4.056 1.00 35.36 C ATOM 677 C ASN A 69 -18.253 13.703 -3.509 1.00 34.90 C ATOM 678 O ASN A 69 -17.432 14.308 -4.191 1.00 33.12 O ATOM 679 CB ASN A 69 -18.035 11.278 -4.019 1.00 36.52 C ATOM 680 CG ASN A 69 -17.537 10.946 -2.625 1.00 37.44 C ATOM 681 OD1 ASN A 69 -18.319 10.898 -1.660 1.00 39.64 O ATOM 682 ND2 ASN A 69 -16.229 10.685 -2.512 1.00 34.82 N ATOM 683 HD22 ASN A 69 -15.614 10.738 -3.349 1.00 0.00 H ATOM 684 HD21 ASN A 69 -15.828 10.429 -1.587 1.00 0.00 H ATOM 685 H ASN A 69 -19.175 11.961 -6.134 1.00 0.00 H ATOM 686 N LEU A 70 -18.587 14.072 -2.271 1.00 34.02 N ATOM 687 CA LEU A 70 -17.846 15.093 -1.525 1.00 30.32 C ATOM 688 C LEU A 70 -16.969 14.480 -0.441 1.00 28.98 C ATOM 689 O LEU A 70 -16.098 15.148 0.091 1.00 31.54 O ATOM 690 CB LEU A 70 -18.806 16.102 -0.917 1.00 30.19 C ATOM 691 CG LEU A 70 -19.643 16.930 -1.882 1.00 30.12 C ATOM 692 CD1 LEU A 70 -20.443 17.977 -1.139 1.00 29.21 C ATOM 693 CD2 LEU A 70 -18.762 17.579 -2.917 1.00 32.20 C ATOM 694 H LEU A 70 -19.405 13.617 -1.818 1.00 0.00 H ATOM 695 N GLU A 71 -17.175 13.204 -0.133 1.00 28.19 N ATOM 696 CA GLU A 71 -16.349 12.481 0.837 1.00 27.45 C ATOM 697 C GLU A 71 -16.610 12.829 2.308 1.00 26.28 C ATOM 698 O GLU A 71 -15.771 12.581 3.168 1.00 26.30 O ATOM 699 CB GLU A 71 -14.864 12.671 0.520 1.00 28.55 C ATOM 700 CG GLU A 71 -13.932 11.652 1.167 1.00 29.36 C ATOM 701 CD GLU A 71 -14.450 10.219 1.044 1.00 30.31 C ATOM 702 OE1 GLU A 71 -15.192 9.924 0.071 1.00 31.75 O ATOM 703 OE2 GLU A 71 -14.114 9.392 1.915 1.00 27.53 O ATOM 704 H GLU A 71 -17.955 12.698 -0.600 1.00 0.00 H ATOM 705 N LEU A 72 -17.782 13.389 2.595 1.00 24.33 N ATOM 706 CA LEU A 72 -18.149 13.741 3.950 1.00 22.64 C ATOM 707 C LEU A 72 -19.497 13.135 4.328 1.00 23.62 C ATOM 708 O LEU A 72 -20.444 13.180 3.548 1.00 23.98 O ATOM 709 CB LEU A 72 -18.212 15.259 4.102 1.00 22.32 C ATOM 710 CG LEU A 72 -17.001 16.087 3.670 1.00 22.77 C ATOM 711 CD1 LEU A 72 -17.366 17.533 3.455 1.00 23.43 C ATOM 712 CD2 LEU A 72 -15.914 16.040 4.715 1.00 24.33 C ATOM 713 H LEU A 72 -18.453 13.579 1.824 1.00 0.00 H ATOM 714 N THR A 73 -19.588 12.563 5.530 1.00 24.10 N ATOM 715 CA THR A 73 -20.857 12.097 6.057 1.00 23.46 C ATOM 716 C THR A 73 -21.192 12.942 7.252 1.00 25.09 C ATOM 717 O THR A 73 -20.380 13.102 8.161 1.00 26.41 O ATOM 718 CB THR A 73 -20.826 10.648 6.534 1.00 23.12 C ATOM 719 OG1 THR A 73 -20.513 9.795 5.427 1.00 24.43 O ATOM 720 CG2 THR A 73 -22.185 10.236 7.084 1.00 22.11 C ATOM 721 HG1 THR A 73 -20.492 8.854 5.733 1.00 0.00 H ATOM 722 H THR A 73 -18.728 12.448 6.103 1.00 0.00 H ATOM 723 N LEU A 74 -22.401 13.479 7.237 1.00 25.92 N ATOM 724 CA LEU A 74 -22.956 14.137 8.385 1.00 26.00 C ATOM 725 C LEU A 74 -23.676 13.108 9.273 1.00 26.52 C ATOM 726 O LEU A 74 -24.720 12.558 8.894 1.00 25.59 O ATOM 727 CB LEU A 74 -23.943 15.202 7.937 1.00 27.06 C ATOM 728 CG LEU A 74 -23.451 16.612 7.625 1.00 27.60 C ATOM 729 CD1 LEU A 74 -22.053 16.684 6.989 1.00 27.93 C ATOM 730 CD2 LEU A 74 -24.544 17.224 6.753 1.00 28.16 C ATOM 731 H LEU A 74 -22.967 13.422 6.366 1.00 0.00 H ATOM 732 N ILE A 75 -23.116 12.842 10.452 1.00 26.03 N ATOM 733 CA ILE A 75 -23.779 11.923 11.372 1.00 25.90 C ATOM 734 C ILE A 75 -24.496 12.657 12.497 1.00 24.47 C ATOM 735 O ILE A 75 -23.994 13.617 13.031 1.00 24.15 O ATOM 736 CB ILE A 75 -22.847 10.840 11.923 1.00 25.87 C ATOM 737 CG1 ILE A 75 -21.717 11.437 12.720 1.00 27.86 C ATOM 738 CG2 ILE A 75 -22.299 10.020 10.778 1.00 27.25 C ATOM 739 CD1 ILE A 75 -20.939 10.398 13.523 1.00 28.16 C ATOM 740 H ILE A 75 -22.213 13.286 10.715 1.00 0.00 H ATOM 741 N THR A 76 -25.715 12.231 12.796 1.00 23.47 N ATOM 742 CA THR A 76 -26.448 12.820 13.906 1.00 23.39 C ATOM 743 C THR A 76 -26.467 11.787 15.013 1.00 23.23 C ATOM 744 O THR A 76 -26.809 10.629 14.763 1.00 22.72 O ATOM 745 CB THR A 76 -27.873 13.333 13.533 1.00 22.57 C ATOM 746 OG1 THR A 76 -27.757 14.525 12.732 1.00 21.74 O ATOM 747 CG2 THR A 76 -28.666 13.670 14.793 1.00 21.24 C ATOM 748 HG1 THR A 76 -28.661 14.851 12.495 1.00 0.00 H ATOM 749 H THR A 76 -26.150 11.472 12.234 1.00 0.00 H ATOM 750 N LEU A 77 -26.064 12.216 16.212 1.00 22.92 N ATOM 751 CA LEU A 77 -25.770 11.306 17.319 1.00 24.62 C ATOM 752 C LEU A 77 -26.802 11.318 18.449 1.00 25.50 C ATOM 753 O LEU A 77 -27.414 12.335 18.767 1.00 24.86 O ATOM 754 CB LEU A 77 -24.407 11.641 17.916 1.00 26.29 C ATOM 755 CG LEU A 77 -23.223 11.686 16.948 1.00 27.40 C ATOM 756 CD1 LEU A 77 -21.969 12.114 17.697 1.00 26.66 C ATOM 757 CD2 LEU A 77 -23.047 10.316 16.305 1.00 27.85 C ATOM 758 H LEU A 77 -25.955 13.239 16.365 1.00 0.00 H ATOM 759 N ASP A 78 -27.000 10.152 19.044 1.00 27.29 N ATOM 760 CA ASP A 78 -27.841 10.004 20.219 1.00 27.53 C ATOM 761 C ASP A 78 -26.937 10.218 21.430 1.00 27.27 C ATOM 762 O ASP A 78 -26.511 9.270 22.090 1.00 24.43 O ATOM 763 CB ASP A 78 -28.465 8.613 20.250 1.00 26.60 C ATOM 764 CG ASP A 78 -29.436 8.441 21.419 1.00 26.75 C ATOM 765 OD1 ASP A 78 -30.005 9.484 21.886 1.00 24.53 O ATOM 766 OD2 ASP A 78 -29.602 7.264 21.869 1.00 24.19 O ATOM 767 H ASP A 78 -26.534 9.308 18.654 1.00 0.00 H ATOM 768 N THR A 79 -26.648 11.479 21.707 1.00 27.98 N ATOM 769 CA THR A 79 -25.752 11.833 22.780 1.00 29.86 C ATOM 770 C THR A 79 -26.441 12.840 23.678 1.00 31.35 C ATOM 771 O THR A 79 -27.310 13.566 23.234 1.00 33.56 O ATOM 772 CB THR A 79 -24.440 12.408 22.227 1.00 29.52 C ATOM 773 OG1 THR A 79 -23.556 12.702 23.321 1.00 30.64 O ATOM 774 CG2 THR A 79 -24.695 13.682 21.418 1.00 27.62 C ATOM 775 HG1 THR A 79 -22.709 13.073 22.968 1.00 0.00 H ATOM 776 H THR A 79 -27.078 12.234 21.136 1.00 0.00 H ATOM 777 N ASN A 80 -26.056 12.871 24.946 1.00 36.73 N ATOM 778 CA ASN A 80 -26.728 13.726 25.911 1.00 41.86 C ATOM 779 C ASN A 80 -26.552 15.212 25.652 1.00 46.08 C ATOM 780 O ASN A 80 -27.552 15.966 25.730 1.00 51.37 O ATOM 781 CB ASN A 80 -26.284 13.398 27.339 1.00 43.46 C ATOM 782 CG ASN A 80 -26.512 11.940 27.699 1.00 45.45 C ATOM 783 OD1 ASN A 80 -25.877 11.033 27.111 1.00 47.03 O ATOM 784 ND2 ASN A 80 -27.419 11.694 28.655 1.00 40.30 N ATOM 785 HD22 ASN A 80 -27.919 12.483 29.113 1.00 0.00 H ATOM 786 HD21 ASN A 80 -27.622 10.714 28.939 1.00 0.00 H ATOM 787 H ASN A 80 -25.262 12.275 25.255 1.00 0.00 H ATOM 788 N GLU A 81 -25.325 15.652 25.345 1.00 46.25 N ATOM 789 CA GLU A 81 -25.072 17.097 25.316 1.00 50.52 C ATOM 790 C GLU A 81 -24.539 17.637 23.970 1.00 44.65 C ATOM 791 O GLU A 81 -23.820 16.964 23.261 1.00 43.15 O ATOM 792 CB GLU A 81 -24.151 17.490 26.460 1.00 53.98 C ATOM 793 CG GLU A 81 -24.599 18.760 27.221 1.00 53.40 C ATOM 794 CD GLU A 81 -25.888 18.571 27.965 1.00 53.97 C ATOM 795 OE1 GLU A 81 -26.507 17.514 27.802 1.00 51.69 O ATOM 796 OE2 GLU A 81 -26.288 19.479 28.730 1.00 55.46 O ATOM 797 H GLU A 81 -24.562 14.979 25.130 1.00 0.00 H ATOM 798 N LYS A 82 -24.898 18.883 23.683 1.00 41.96 N ATOM 799 CA LYS A 82 -24.559 19.579 22.457 1.00 40.81 C ATOM 800 C LYS A 82 -23.069 19.886 22.290 1.00 36.00 C ATOM 801 O LYS A 82 -22.381 20.251 23.242 1.00 34.86 O ATOM 802 CB LYS A 82 -25.312 20.918 22.390 1.00 43.60 C ATOM 803 CG LYS A 82 -26.769 20.849 22.823 1.00 49.41 C ATOM 804 CD LYS A 82 -27.514 22.147 22.511 1.00 52.71 C ATOM 805 CE LYS A 82 -28.796 21.896 21.711 1.00 55.38 C ATOM 806 NZ LYS A 82 -28.676 22.174 20.265 1.00 59.52 N ATOM 807 HZ1 LYS A 82 -28.421 23.172 20.125 1.00 0.00 H ATOM 808 HZ2 LYS A 82 -27.938 21.566 19.856 1.00 0.00 H ATOM 809 HZ3 LYS A 82 -29.585 21.979 19.799 1.00 0.00 H ATOM 810 H LYS A 82 -25.463 19.397 24.389 1.00 0.00 H ATOM 811 N PHE A 83 -22.593 19.760 21.053 1.00 31.52 N ATOM 812 CA PHE A 83 -21.248 20.182 20.686 1.00 28.52 C ATOM 813 C PHE A 83 -21.208 21.704 20.710 1.00 27.77 C ATOM 814 O PHE A 83 -22.226 22.357 20.489 1.00 29.37 O ATOM 815 CB PHE A 83 -20.894 19.749 19.262 1.00 28.53 C ATOM 816 CG PHE A 83 -20.561 18.294 19.111 1.00 26.00 C ATOM 817 CD1 PHE A 83 -19.464 17.760 19.735 1.00 24.96 C ATOM 818 CD2 PHE A 83 -21.321 17.485 18.273 1.00 25.06 C ATOM 819 CE1 PHE A 83 -19.145 16.414 19.558 1.00 25.66 C ATOM 820 CE2 PHE A 83 -21.011 16.149 18.084 1.00 25.79 C ATOM 821 CZ PHE A 83 -19.917 15.605 18.733 1.00 25.75 C ATOM 822 H PHE A 83 -23.204 19.345 20.321 1.00 0.00 H ATOM 823 N ARG A 84 -20.030 22.270 20.964 1.00 25.52 N ATOM 824 CA ARG A 84 -19.884 23.699 20.936 1.00 24.19 C ATOM 825 C ARG A 84 -20.061 24.146 19.508 1.00 24.88 C ATOM 826 O ARG A 84 -19.561 23.522 18.556 1.00 23.64 O ATOM 827 CB ARG A 84 -18.530 24.160 21.464 1.00 25.57 C ATOM 828 CG ARG A 84 -18.190 25.583 20.997 1.00 26.68 C ATOM 829 CD ARG A 84 -16.804 26.011 21.361 1.00 28.23 C ATOM 830 NE ARG A 84 -15.785 25.330 20.563 1.00 31.68 N ATOM 831 CZ ARG A 84 -14.514 25.732 20.474 1.00 32.57 C ATOM 832 NH1 ARG A 84 -14.094 26.825 21.118 1.00 33.07 N ATOM 833 NH2 ARG A 84 -13.661 25.054 19.729 1.00 32.55 N ATOM 834 HE ARG A 84 -16.067 24.481 20.032 1.00 0.00 H ATOM 835 HH12 ARG A 84 -13.102 27.126 21.039 1.00 0.00 H ATOM 836 HH11 ARG A 84 -14.760 27.375 21.698 1.00 0.00 H ATOM 837 HH22 ARG A 84 -12.671 25.365 19.658 1.00 0.00 H ATOM 838 HH21 ARG A 84 -13.979 24.209 19.213 1.00 0.00 H ATOM 839 H ARG A 84 -19.208 21.672 21.185 1.00 0.00 H ATOM 840 N ASP A 85 -20.758 25.254 19.336 1.00 25.62 N ATOM 841 CA ASP A 85 -21.056 25.685 17.969 1.00 26.53 C ATOM 842 C ASP A 85 -19.838 26.321 17.317 1.00 26.02 C ATOM 843 O ASP A 85 -19.363 27.350 17.762 1.00 28.93 O ATOM 844 CB ASP A 85 -22.263 26.611 17.955 1.00 25.22 C ATOM 845 CG ASP A 85 -22.903 26.684 16.618 1.00 24.04 C ATOM 846 OD1 ASP A 85 -22.196 26.444 15.619 1.00 21.92 O ATOM 847 OD2 ASP A 85 -24.107 27.004 16.587 1.00 24.14 O ATOM 848 H ASP A 85 -21.088 25.808 20.152 1.00 0.00 H ATOM 849 N ILE A 86 -19.323 25.679 16.279 1.00 26.11 N ATOM 850 CA ILE A 86 -18.106 26.163 15.562 1.00 25.25 C ATOM 851 C ILE A 86 -18.373 26.442 14.100 1.00 22.86 C ATOM 852 O ILE A 86 -17.454 26.696 13.349 1.00 22.80 O ATOM 853 CB ILE A 86 -16.891 25.206 15.687 1.00 25.01 C ATOM 854 CG1 ILE A 86 -17.296 23.770 15.340 1.00 26.33 C ATOM 855 CG2 ILE A 86 -16.356 25.261 17.110 1.00 26.09 C ATOM 856 CD1 ILE A 86 -16.400 23.120 14.325 1.00 27.49 C ATOM 857 H ILE A 86 -19.783 24.806 15.951 1.00 0.00 H ATOM 858 N THR A 87 -19.646 26.493 13.742 1.00 22.52 N ATOM 859 CA THR A 87 -20.102 26.781 12.383 1.00 22.11 C ATOM 860 C THR A 87 -19.626 28.146 11.905 1.00 22.29 C ATOM 861 O THR A 87 -19.373 28.330 10.735 1.00 22.17 O ATOM 862 CB THR A 87 -21.649 26.751 12.324 1.00 21.89 C ATOM 863 OG1 THR A 87 -22.197 26.919 13.641 1.00 22.71 O ATOM 864 CG2 THR A 87 -22.131 25.426 11.815 1.00 22.12 C ATOM 865 HG1 THR A 87 -21.879 26.186 14.225 1.00 0.00 H ATOM 866 H THR A 87 -20.366 26.318 14.472 1.00 0.00 H ATOM 867 N LYS A 88 -19.528 29.092 12.825 1.00 24.06 N ATOM 868 CA LYS A 88 -19.020 30.435 12.541 1.00 26.21 C ATOM 869 C LYS A 88 -17.541 30.459 12.101 1.00 24.91 C ATOM 870 O LYS A 88 -17.140 31.309 11.316 1.00 22.01 O ATOM 871 CB LYS A 88 -19.187 31.340 13.770 1.00 29.70 C ATOM 872 CG LYS A 88 -17.890 31.543 14.568 1.00 32.82 C ATOM 873 CD LYS A 88 -17.924 30.909 15.949 1.00 33.05 C ATOM 874 CE LYS A 88 -18.253 31.977 16.965 1.00 34.09 C ATOM 875 NZ LYS A 88 -19.053 31.433 18.084 1.00 35.37 N ATOM 876 HZ1 LYS A 88 -19.944 31.044 17.715 1.00 0.00 H ATOM 877 HZ2 LYS A 88 -18.515 30.680 18.559 1.00 0.00 H ATOM 878 HZ3 LYS A 88 -19.260 32.194 18.762 1.00 0.00 H ATOM 879 H LYS A 88 -19.826 28.871 13.796 1.00 0.00 H ATOM 880 N PHE A 89 -16.746 29.543 12.664 1.00 24.94 N ATOM 881 CA PHE A 89 -15.347 29.378 12.292 1.00 25.09 C ATOM 882 C PHE A 89 -15.159 28.826 10.896 1.00 25.01 C ATOM 883 O PHE A 89 -14.101 28.993 10.297 1.00 27.11 O ATOM 884 CB PHE A 89 -14.627 28.485 13.297 1.00 26.09 C ATOM 885 CG PHE A 89 -14.625 29.041 14.693 1.00 27.33 C ATOM 886 CD1 PHE A 89 -14.269 30.354 14.925 1.00 27.57 C ATOM 887 CD2 PHE A 89 -14.986 28.245 15.766 1.00 28.84 C ATOM 888 CE1 PHE A 89 -14.276 30.871 16.203 1.00 29.88 C ATOM 889 CE2 PHE A 89 -14.992 28.752 17.051 1.00 28.79 C ATOM 890 CZ PHE A 89 -14.645 30.072 17.274 1.00 29.09 C ATOM 891 H PHE A 89 -17.143 28.922 13.398 1.00 0.00 H ATOM 892 N ILE A 90 -16.189 28.162 10.385 1.00 25.16 N ATOM 893 CA ILE A 90 -16.186 27.548 9.051 1.00 24.55 C ATOM 894 C ILE A 90 -16.595 28.578 7.998 1.00 26.58 C ATOM 895 O ILE A 90 -17.647 29.237 8.106 1.00 25.01 O ATOM 896 CB ILE A 90 -17.137 26.337 8.994 1.00 24.26 C ATOM 897 CG1 ILE A 90 -16.692 25.279 10.008 1.00 23.84 C ATOM 898 CG2 ILE A 90 -17.149 25.717 7.608 1.00 25.14 C ATOM 899 CD1 ILE A 90 -17.626 24.098 10.124 1.00 23.73 C ATOM 900 H ILE A 90 -17.048 28.071 10.964 1.00 0.00 H ATOM 901 N PRO A 91 -15.766 28.730 6.966 1.00 29.76 N ATOM 902 CA PRO A 91 -16.075 29.689 5.914 1.00 30.97 C ATOM 903 C PRO A 91 -17.344 29.336 5.118 1.00 30.80 C ATOM 904 O PRO A 91 -17.701 28.174 5.007 1.00 27.06 O ATOM 905 CB PRO A 91 -14.799 29.684 5.044 1.00 31.41 C ATOM 906 CG PRO A 91 -14.134 28.392 5.330 1.00 31.73 C ATOM 907 CD PRO A 91 -14.464 28.077 6.761 1.00 31.83 C ATOM 908 N GLU A 92 -18.004 30.362 4.590 1.00 35.24 N ATOM 909 CA GLU A 92 -19.243 30.197 3.826 1.00 37.13 C ATOM 910 C GLU A 92 -18.982 29.421 2.543 1.00 38.21 C ATOM 911 O GLU A 92 -19.826 28.635 2.116 1.00 41.68 O ATOM 912 CB GLU A 92 -19.868 31.542 3.502 1.00 40.53 C ATOM 913 CG GLU A 92 -19.818 32.561 4.622 1.00 44.70 C ATOM 914 CD GLU A 92 -21.046 33.475 4.612 1.00 52.16 C ATOM 915 OE1 GLU A 92 -22.192 32.953 4.540 1.00 56.06 O ATOM 916 OE2 GLU A 92 -20.874 34.717 4.685 1.00 56.55 O ATOM 917 H GLU A 92 -17.625 31.321 4.725 1.00 0.00 H ATOM 918 N ASN A 93 -17.828 29.656 1.919 1.00 38.74 N ATOM 919 CA ASN A 93 -17.425 28.887 0.748 1.00 39.38 C ATOM 920 C ASN A 93 -16.016 28.375 0.940 1.00 37.22 C ATOM 921 O ASN A 93 -15.265 28.929 1.736 1.00 32.42 O ATOM 922 CB ASN A 93 -17.528 29.725 -0.520 1.00 43.51 C ATOM 923 CG ASN A 93 -18.231 28.969 -1.640 1.00 48.56 C ATOM 924 OD1 ASN A 93 -17.772 27.885 -2.081 1.00 47.10 O ATOM 925 ND2 ASN A 93 -19.375 29.500 -2.082 1.00 47.68 N ATOM 926 HD22 ASN A 93 -19.717 30.400 -1.688 1.00 0.00 H ATOM 927 HD21 ASN A 93 -19.923 29.014 -2.820 1.00 0.00 H ATOM 928 H ASN A 93 -17.201 30.405 2.276 1.00 0.00 H ATOM 929 N ILE A 94 -15.652 27.315 0.232 1.00 37.88 N ATOM 930 CA ILE A 94 -14.395 26.664 0.517 1.00 39.54 C ATOM 931 C ILE A 94 -13.263 27.654 0.304 1.00 40.76 C ATOM 932 O ILE A 94 -13.184 28.304 -0.740 1.00 45.64 O ATOM 933 CB ILE A 94 -14.161 25.413 -0.358 1.00 40.48 C ATOM 934 CG1 ILE A 94 -15.485 24.716 -0.663 1.00 42.59 C ATOM 935 CG2 ILE A 94 -13.209 24.437 0.329 1.00 39.91 C ATOM 936 CD1 ILE A 94 -15.543 23.260 -0.261 1.00 42.20 C ATOM 937 H ILE A 94 -16.268 26.954 -0.524 1.00 0.00 H ATOM 938 N SER A 95 -12.389 27.751 1.301 1.00 38.83 N ATOM 939 CA SER A 95 -11.295 28.682 1.276 1.00 40.01 C ATOM 940 C SER A 95 -9.993 27.944 1.431 1.00 41.94 C ATOM 941 O SER A 95 -9.921 26.895 2.071 1.00 46.34 O ATOM 942 CB SER A 95 -11.432 29.682 2.412 1.00 40.11 C ATOM 943 OG SER A 95 -12.784 29.770 2.781 1.00 42.32 O ATOM 944 HG SER A 95 -13.318 30.071 2.004 1.00 0.00 H ATOM 945 H SER A 95 -12.501 27.131 2.128 1.00 0.00 H ATOM 946 N THR A 96 -8.968 28.545 0.854 1.00 43.63 N ATOM 947 CA THR A 96 -7.597 28.094 0.959 1.00 42.66 C ATOM 948 C THR A 96 -7.012 28.724 2.217 1.00 40.47 C ATOM 949 O THR A 96 -7.698 29.491 2.892 1.00 37.81 O ATOM 950 CB THR A 96 -6.810 28.550 -0.283 1.00 43.19 C ATOM 951 OG1 THR A 96 -6.364 29.909 -0.117 1.00 43.21 O ATOM 952 CG2 THR A 96 -7.706 28.418 -1.552 1.00 43.52 C ATOM 953 HG1 THR A 96 -5.860 30.190 -0.921 1.00 0.00 H ATOM 954 H THR A 96 -9.158 29.397 0.288 1.00 0.00 H ATOM 955 N ALA A 97 -5.762 28.383 2.540 1.00 39.77 N ATOM 956 CA ALA A 97 -5.051 29.014 3.668 1.00 38.97 C ATOM 957 C ALA A 97 -3.560 28.825 3.533 1.00 36.12 C ATOM 958 O ALA A 97 -3.101 28.049 2.713 1.00 31.66 O ATOM 959 CB ALA A 97 -5.539 28.484 5.022 1.00 39.07 C ATOM 960 H ALA A 97 -5.276 27.653 1.981 1.00 0.00 H ATOM 961 N SER A 98 -2.812 29.555 4.350 1.00 36.02 N ATOM 962 CA SER A 98 -1.363 29.548 4.294 1.00 38.32 C ATOM 963 C SER A 98 -0.837 29.075 5.635 1.00 41.64 C ATOM 964 O SER A 98 -1.326 29.527 6.654 1.00 50.47 O ATOM 965 CB SER A 98 -0.856 30.962 4.024 1.00 37.27 C ATOM 966 OG SER A 98 -1.169 31.363 2.710 1.00 37.45 O ATOM 967 HG SER A 98 -0.832 32.281 2.557 1.00 0.00 H ATOM 968 H SER A 98 -3.283 30.155 5.057 1.00 0.00 H ATOM 969 N ASP A 99 0.152 28.185 5.662 1.00 43.83 N ATOM 970 CA ASP A 99 0.666 27.680 6.943 1.00 42.67 C ATOM 971 C ASP A 99 -0.461 27.012 7.737 1.00 39.85 C ATOM 972 O ASP A 99 -0.692 27.358 8.925 1.00 35.16 O ATOM 973 CB ASP A 99 1.178 28.821 7.821 1.00 46.85 C ATOM 974 CG ASP A 99 2.488 29.396 7.368 1.00 49.27 C ATOM 975 OD1 ASP A 99 3.330 28.622 6.861 1.00 55.37 O ATOM 976 OD2 ASP A 99 2.682 30.619 7.587 1.00 45.89 O ATOM 977 H ASP A 99 0.564 27.844 4.770 1.00 0.00 H ATOM 978 N ALA A 100 -1.196 26.110 7.082 1.00 35.05 N ATOM 979 CA ALA A 100 -2.293 25.422 7.751 1.00 37.32 C ATOM 980 C ALA A 100 -1.775 24.383 8.721 1.00 35.77 C ATOM 981 O ALA A 100 -0.613 24.042 8.695 1.00 39.82 O ATOM 982 CB ALA A 100 -3.241 24.792 6.751 1.00 38.24 C ATOM 983 H ALA A 100 -0.984 25.897 6.086 1.00 0.00 H ATOM 984 N THR A 101 -2.648 23.895 9.595 1.00 36.28 N ATOM 985 CA THR A 101 -2.263 22.890 10.592 1.00 33.07 C ATOM 986 C THR A 101 -3.270 21.775 10.549 1.00 30.91 C ATOM 987 O THR A 101 -4.483 22.018 10.575 1.00 32.60 O ATOM 988 CB THR A 101 -2.241 23.462 12.010 1.00 31.67 C ATOM 989 OG1 THR A 101 -1.482 24.678 12.025 1.00 30.83 O ATOM 990 CG2 THR A 101 -1.643 22.450 12.967 1.00 31.97 C ATOM 991 HG1 THR A 101 -1.469 25.046 12.944 1.00 0.00 H ATOM 992 H THR A 101 -3.631 24.234 9.572 1.00 0.00 H ATOM 993 N LEU A 102 -2.769 20.554 10.474 1.00 28.50 N ATOM 994 CA LEU A 102 -3.632 19.390 10.498 1.00 27.39 C ATOM 995 C LEU A 102 -3.731 18.963 11.937 1.00 26.99 C ATOM 996 O LEU A 102 -2.730 18.654 12.566 1.00 26.69 O ATOM 997 CB LEU A 102 -3.076 18.262 9.636 1.00 25.17 C ATOM 998 CG LEU A 102 -3.946 17.035 9.426 1.00 23.77 C ATOM 999 CD1 LEU A 102 -5.263 17.388 8.749 1.00 24.09 C ATOM 1000 CD2 LEU A 102 -3.141 16.046 8.597 1.00 23.25 C ATOM 1001 H LEU A 102 -1.740 20.427 10.397 1.00 0.00 H ATOM 1002 N VAL A 103 -4.948 18.969 12.455 1.00 27.81 N ATOM 1003 CA VAL A 103 -5.206 18.492 13.811 1.00 27.90 C ATOM 1004 C VAL A 103 -5.842 17.105 13.778 1.00 26.57 C ATOM 1005 O VAL A 103 -6.983 16.913 13.356 1.00 26.11 O ATOM 1006 CB VAL A 103 -6.111 19.479 14.561 1.00 30.73 C ATOM 1007 CG1 VAL A 103 -6.989 18.772 15.567 1.00 32.04 C ATOM 1008 CG2 VAL A 103 -5.265 20.534 15.250 1.00 34.97 C ATOM 1009 H VAL A 103 -5.741 19.322 11.882 1.00 0.00 H ATOM 1010 N ILE A 104 -5.101 16.136 14.288 1.00 26.66 N ATOM 1011 CA ILE A 104 -5.540 14.748 14.323 1.00 26.15 C ATOM 1012 C ILE A 104 -5.780 14.337 15.761 1.00 24.27 C ATOM 1013 O ILE A 104 -4.964 14.615 16.624 1.00 21.81 O ATOM 1014 CB ILE A 104 -4.458 13.842 13.693 1.00 28.29 C ATOM 1015 CG1 ILE A 104 -4.473 13.997 12.156 1.00 27.73 C ATOM 1016 CG2 ILE A 104 -4.666 12.386 14.090 1.00 28.42 C ATOM 1017 CD1 ILE A 104 -3.124 14.357 11.613 1.00 26.23 C ATOM 1018 H ILE A 104 -4.168 16.375 14.680 1.00 0.00 H ATOM 1019 N ASN A 105 -6.921 13.705 16.019 1.00 23.71 N ATOM 1020 CA ASN A 105 -7.166 13.108 17.318 1.00 23.85 C ATOM 1021 C ASN A 105 -7.686 11.690 17.172 1.00 24.55 C ATOM 1022 O ASN A 105 -8.808 11.470 16.726 1.00 25.19 O ATOM 1023 CB ASN A 105 -8.172 13.941 18.110 1.00 24.54 C ATOM 1024 CG ASN A 105 -8.107 13.681 19.586 1.00 24.08 C ATOM 1025 OD1 ASN A 105 -7.123 13.176 20.107 1.00 23.58 O ATOM 1026 ND2 ASN A 105 -9.170 14.022 20.264 1.00 26.14 N ATOM 1027 HD22 ASN A 105 -9.983 14.449 19.776 1.00 0.00 H ATOM 1028 HD21 ASN A 105 -9.203 13.867 21.292 1.00 0.00 H ATOM 1029 H ASN A 105 -7.648 13.638 15.279 1.00 0.00 H ATOM 1030 N THR A 106 -6.889 10.724 17.608 1.00 24.83 N ATOM 1031 CA THR A 106 -7.188 9.312 17.416 1.00 23.34 C ATOM 1032 C THR A 106 -6.595 8.533 18.575 1.00 24.14 C ATOM 1033 O THR A 106 -5.733 9.036 19.282 1.00 21.78 O ATOM 1034 CB THR A 106 -6.563 8.814 16.105 1.00 23.38 C ATOM 1035 OG1 THR A 106 -7.547 8.843 15.072 1.00 23.23 O ATOM 1036 CG2 THR A 106 -6.014 7.407 16.226 1.00 23.07 C ATOM 1037 HG1 THR A 106 -7.145 8.522 14.226 1.00 0.00 H ATOM 1038 H THR A 106 -6.015 10.986 18.107 1.00 0.00 H ATOM 1039 N GLU A 107 -7.064 7.310 18.789 1.00 24.23 N ATOM 1040 CA GLU A 107 -6.509 6.499 19.833 1.00 23.43 C ATOM 1041 C GLU A 107 -5.010 6.305 19.624 1.00 22.93 C ATOM 1042 O GLU A 107 -4.237 6.345 20.558 1.00 22.55 O ATOM 1043 CB GLU A 107 -7.202 5.159 19.857 1.00 25.02 C ATOM 1044 CG GLU A 107 -7.166 4.522 21.224 1.00 28.64 C ATOM 1045 CD GLU A 107 -6.951 3.044 21.137 1.00 31.67 C ATOM 1046 OE1 GLU A 107 -7.683 2.347 20.376 1.00 30.62 O ATOM 1047 OE2 GLU A 107 -6.030 2.597 21.857 1.00 36.22 O ATOM 1048 H GLU A 107 -7.836 6.939 18.198 1.00 0.00 H ATOM 1049 N HIS A 108 -4.613 6.112 18.382 1.00 24.11 N ATOM 1050 CA HIS A 108 -3.241 5.794 18.035 1.00 25.59 C ATOM 1051 C HIS A 108 -2.396 7.063 17.870 1.00 25.81 C ATOM 1052 O HIS A 108 -1.196 7.067 18.225 1.00 30.32 O ATOM 1053 CB HIS A 108 -3.173 4.934 16.762 1.00 26.16 C ATOM 1054 CG HIS A 108 -3.790 3.555 16.900 1.00 28.53 C ATOM 1055 ND1 HIS A 108 -3.823 2.854 18.095 1.00 30.71 N ATOM 1056 CD2 HIS A 108 -4.363 2.736 15.975 1.00 28.56 C ATOM 1057 CE1 HIS A 108 -4.383 1.669 17.900 1.00 29.99 C ATOM 1058 NE2 HIS A 108 -4.731 1.581 16.625 1.00 28.98 N ATOM 1059 H HIS A 108 -5.314 6.191 17.618 1.00 0.00 H ATOM 1060 N MET A 109 -3.004 8.131 17.360 1.00 21.81 N ATOM 1061 CA MET A 109 -2.335 9.414 17.276 1.00 20.05 C ATOM 1062 C MET A 109 -3.161 10.511 17.967 1.00 19.53 C ATOM 1063 O MET A 109 -3.813 11.292 17.308 1.00 19.31 O ATOM 1064 CB MET A 109 -2.080 9.792 15.819 1.00 20.19 C ATOM 1065 CG MET A 109 -1.407 8.717 14.953 1.00 20.46 C ATOM 1066 SD MET A 109 -1.045 9.269 13.242 1.00 19.76 S ATOM 1067 CE MET A 109 -1.701 7.892 12.338 1.00 22.09 C ATOM 1068 H MET A 109 -3.981 8.043 17.014 1.00 0.00 H ATOM 1069 N PRO A 110 -3.118 10.577 19.307 1.00 18.65 N ATOM 1070 CA PRO A 110 -3.893 11.535 20.074 1.00 18.85 C ATOM 1071 C PRO A 110 -3.338 12.955 20.051 1.00 19.30 C ATOM 1072 O PRO A 110 -2.164 13.147 20.230 1.00 20.20 O ATOM 1073 CB PRO A 110 -3.791 11.006 21.505 1.00 19.43 C ATOM 1074 CG PRO A 110 -2.864 9.824 21.479 1.00 19.06 C ATOM 1075 CD PRO A 110 -2.187 9.823 20.157 1.00 18.93 C ATOM 1076 N SER A 111 -4.195 13.944 19.866 1.00 19.88 N ATOM 1077 CA SER A 111 -3.811 15.355 19.972 1.00 19.46 C ATOM 1078 C SER A 111 -2.546 15.629 19.163 1.00 19.90 C ATOM 1079 O SER A 111 -1.560 16.206 19.662 1.00 20.13 O ATOM 1080 CB SER A 111 -3.594 15.739 21.425 1.00 20.21 C ATOM 1081 OG SER A 111 -4.572 15.119 22.252 1.00 20.81 O ATOM 1082 HG SER A 111 -4.418 15.378 23.195 1.00 0.00 H ATOM 1083 H SER A 111 -5.182 13.712 19.636 1.00 0.00 H ATOM 1084 N MET A 112 -2.603 15.221 17.896 1.00 19.70 N ATOM 1085 CA MET A 112 -1.477 15.310 16.992 1.00 18.92 C ATOM 1086 C MET A 112 -1.555 16.559 16.119 1.00 20.42 C ATOM 1087 O MET A 112 -2.579 16.871 15.555 1.00 19.45 O ATOM 1088 CB MET A 112 -1.455 14.057 16.142 1.00 17.35 C ATOM 1089 CG MET A 112 -0.058 13.636 15.780 1.00 15.99 C ATOM 1090 SD MET A 112 -0.025 12.697 14.252 1.00 14.10 S ATOM 1091 CE MET A 112 1.723 12.881 13.949 1.00 15.61 C ATOM 1092 H MET A 112 -3.495 14.821 17.542 1.00 0.00 H ATOM 1093 N PHE A 113 -0.448 17.279 16.041 1.00 25.53 N ATOM 1094 CA PHE A 113 -0.376 18.548 15.294 1.00 28.90 C ATOM 1095 C PHE A 113 0.605 18.376 14.167 1.00 27.24 C ATOM 1096 O PHE A 113 1.782 18.033 14.377 1.00 24.54 O ATOM 1097 CB PHE A 113 0.087 19.707 16.177 1.00 33.33 C ATOM 1098 CG PHE A 113 -0.967 20.229 17.109 1.00 37.64 C ATOM 1099 CD1 PHE A 113 -1.422 21.516 16.980 1.00 42.44 C ATOM 1100 CD2 PHE A 113 -1.491 19.443 18.122 1.00 41.63 C ATOM 1101 CE1 PHE A 113 -2.402 22.024 17.836 1.00 45.17 C ATOM 1102 CE2 PHE A 113 -2.487 19.932 18.963 1.00 44.42 C ATOM 1103 CZ PHE A 113 -2.945 21.232 18.822 1.00 44.12 C ATOM 1104 H PHE A 113 0.406 16.936 16.526 1.00 0.00 H ATOM 1105 N VAL A 114 0.111 18.625 12.968 1.00 27.88 N ATOM 1106 CA VAL A 114 0.885 18.379 11.764 1.00 30.22 C ATOM 1107 C VAL A 114 0.887 19.619 10.859 1.00 32.29 C ATOM 1108 O VAL A 114 -0.177 20.107 10.462 1.00 29.34 O ATOM 1109 CB VAL A 114 0.348 17.138 11.023 1.00 30.50 C ATOM 1110 CG1 VAL A 114 1.302 16.695 9.940 1.00 29.30 C ATOM 1111 CG2 VAL A 114 0.148 15.992 12.001 1.00 30.60 C ATOM 1112 H VAL A 114 -0.853 19.006 12.884 1.00 0.00 H ATOM 1113 N PRO A 115 2.094 20.143 10.550 1.00 34.82 N ATOM 1114 CA PRO A 115 2.240 21.417 9.861 1.00 33.59 C ATOM 1115 C PRO A 115 2.172 21.219 8.375 1.00 32.57 C ATOM 1116 O PRO A 115 3.214 21.108 7.719 1.00 34.83 O ATOM 1117 CB PRO A 115 3.633 21.881 10.291 1.00 33.85 C ATOM 1118 CG PRO A 115 4.391 20.638 10.650 1.00 34.82 C ATOM 1119 CD PRO A 115 3.403 19.501 10.775 1.00 35.17 C ATOM 1120 N VAL A 116 0.958 21.144 7.844 1.00 30.53 N ATOM 1121 CA VAL A 116 0.801 20.788 6.421 1.00 30.45 C ATOM 1122 C VAL A 116 1.156 21.924 5.443 1.00 32.00 C ATOM 1123 O VAL A 116 1.486 21.668 4.274 1.00 30.67 O ATOM 1124 CB VAL A 116 -0.585 20.166 6.086 1.00 29.26 C ATOM 1125 CG1 VAL A 116 -0.770 18.862 6.832 1.00 29.72 C ATOM 1126 CG2 VAL A 116 -1.722 21.108 6.397 1.00 29.59 C ATOM 1127 H VAL A 116 0.120 21.336 8.429 1.00 0.00 H ATOM 1128 N GLY A 117 1.098 23.171 5.912 1.00 34.70 N ATOM 1129 CA GLY A 117 1.474 24.335 5.074 1.00 35.81 C ATOM 1130 C GLY A 117 0.335 24.942 4.272 1.00 35.44 C ATOM 1131 O GLY A 117 -0.827 24.819 4.653 1.00 37.76 O ATOM 1132 H GLY A 117 0.781 23.331 6.890 1.00 0.00 H ATOM 1133 N ASP A 118 0.660 25.610 3.175 1.00 34.73 N ATOM 1134 CA ASP A 118 -0.361 26.292 2.393 1.00 33.94 C ATOM 1135 C ASP A 118 -1.332 25.256 1.788 1.00 33.42 C ATOM 1136 O ASP A 118 -0.933 24.186 1.314 1.00 32.84 O ATOM 1137 CB ASP A 118 0.246 27.207 1.293 1.00 33.73 C ATOM 1138 CG ASP A 118 1.299 28.198 1.831 1.00 33.14 C ATOM 1139 OD1 ASP A 118 1.415 28.445 3.055 1.00 33.88 O ATOM 1140 OD2 ASP A 118 2.035 28.736 0.993 1.00 30.93 O ATOM 1141 H ASP A 118 1.654 25.647 2.870 1.00 0.00 H ATOM 1142 N VAL A 119 -2.614 25.594 1.842 1.00 33.75 N ATOM 1143 CA VAL A 119 -3.704 24.743 1.357 1.00 34.34 C ATOM 1144 C VAL A 119 -4.275 25.403 0.114 1.00 36.97 C ATOM 1145 O VAL A 119 -4.550 26.591 0.117 1.00 40.21 O ATOM 1146 CB VAL A 119 -4.815 24.581 2.421 1.00 32.57 C ATOM 1147 CG1 VAL A 119 -6.039 23.866 1.858 1.00 32.84 C ATOM 1148 CG2 VAL A 119 -4.271 23.846 3.636 1.00 31.71 C ATOM 1149 H VAL A 119 -2.860 26.517 2.253 1.00 0.00 H ATOM 1150 N VAL A 120 -4.437 24.637 -0.952 1.00 38.77 N ATOM 1151 CA VAL A 120 -4.701 25.223 -2.257 1.00 41.35 C ATOM 1152 C VAL A 120 -5.776 24.424 -2.964 1.00 45.99 C ATOM 1153 O VAL A 120 -5.920 23.240 -2.735 1.00 42.43 O ATOM 1154 CB VAL A 120 -3.414 25.253 -3.115 1.00 43.29 C ATOM 1155 CG1 VAL A 120 -2.274 25.967 -2.394 1.00 44.52 C ATOM 1156 CG2 VAL A 120 -2.948 23.851 -3.470 1.00 44.98 C ATOM 1157 H VAL A 120 -4.375 23.603 -0.856 1.00 0.00 H ATOM 1158 N GLN A 121 -6.536 25.057 -3.846 1.00 55.06 N ATOM 1159 CA GLN A 121 -7.599 24.330 -4.536 1.00 57.88 C ATOM 1160 C GLN A 121 -7.011 23.192 -5.358 1.00 57.73 C ATOM 1161 O GLN A 121 -6.038 23.385 -6.082 1.00 60.99 O ATOM 1162 CB GLN A 121 -8.396 25.269 -5.440 1.00 56.44 C ATOM 1163 CG GLN A 121 -9.153 26.348 -4.680 1.00 60.58 C ATOM 1164 CD GLN A 121 -10.409 25.817 -3.987 1.00 65.74 C ATOM 1165 OE1 GLN A 121 -10.673 26.113 -2.811 1.00 59.53 O ATOM 1166 NE2 GLN A 121 -11.184 25.005 -4.715 1.00 69.42 N ATOM 1167 HE22 GLN A 121 -10.926 24.783 -5.698 1.00 0.00 H ATOM 1168 HE21 GLN A 121 -12.045 24.596 -4.298 1.00 0.00 H ATOM 1169 H GLN A 121 -6.377 26.065 -4.046 1.00 0.00 H ATOM 1170 N TYR A 122 -7.565 21.998 -5.212 1.00 55.48 N ATOM 1171 CA TYR A 122 -7.190 20.893 -6.085 1.00 53.04 C ATOM 1172 C TYR A 122 -8.315 20.630 -7.062 1.00 54.12 C ATOM 1173 O TYR A 122 -8.079 20.276 -8.232 1.00 57.55 O ATOM 1174 CB TYR A 122 -6.887 19.626 -5.290 1.00 51.91 C ATOM 1175 CG TYR A 122 -6.057 18.631 -6.063 1.00 52.38 C ATOM 1176 CD1 TYR A 122 -4.659 18.650 -5.970 1.00 53.75 C ATOM 1177 CD2 TYR A 122 -6.659 17.684 -6.896 1.00 49.86 C ATOM 1178 CE1 TYR A 122 -3.883 17.756 -6.664 1.00 51.28 C ATOM 1179 CE2 TYR A 122 -5.898 16.782 -7.599 1.00 53.63 C ATOM 1180 CZ TYR A 122 -4.498 16.817 -7.480 1.00 54.47 C ATOM 1181 OH TYR A 122 -3.705 15.920 -8.167 1.00 46.71 O ATOM 1182 HH TYR A 122 -2.753 16.097 -7.960 1.00 0.00 H ATOM 1183 H TYR A 122 -8.275 21.847 -4.467 1.00 0.00 H ATOM 1184 N GLY A 123 -9.532 20.806 -6.565 1.00 52.01 N ATOM 1185 CA GLY A 123 -10.748 20.587 -7.345 1.00 54.71 C ATOM 1186 C GLY A 123 -11.208 19.143 -7.446 1.00 55.39 C ATOM 1187 O GLY A 123 -12.294 18.812 -6.993 1.00 56.24 O ATOM 1188 H GLY A 123 -9.625 21.114 -5.576 1.00 0.00 H ATOM 1189 N PHE A 124 -10.412 18.286 -8.075 1.00 57.93 N ATOM 1190 CA PHE A 124 -10.843 16.900 -8.292 1.00 56.16 C ATOM 1191 C PHE A 124 -9.780 15.872 -7.926 1.00 57.66 C ATOM 1192 O PHE A 124 -8.596 16.015 -8.239 1.00 59.48 O ATOM 1193 CB PHE A 124 -11.301 16.697 -9.722 1.00 56.00 C ATOM 1194 CG PHE A 124 -11.365 15.262 -10.138 1.00 59.20 C ATOM 1195 CD1 PHE A 124 -12.549 14.673 -10.493 1.00 60.97 C ATOM 1196 CD2 PHE A 124 -10.236 14.528 -10.246 1.00 63.24 C ATOM 1197 CE1 PHE A 124 -12.618 13.354 -10.925 1.00 63.06 C ATOM 1198 CE2 PHE A 124 -10.262 13.206 -10.670 1.00 64.79 C ATOM 1199 CZ PHE A 124 -11.458 12.605 -10.999 1.00 66.55 C ATOM 1200 H PHE A 124 -9.480 18.598 -8.415 1.00 0.00 H ATOM 1201 N LEU A 125 -10.214 14.827 -7.232 1.00 56.96 N ATOM 1202 CA LEU A 125 -9.313 13.770 -6.813 1.00 52.18 C ATOM 1203 C LEU A 125 -10.055 12.474 -6.976 1.00 54.76 C ATOM 1204 O LEU A 125 -11.264 12.419 -6.765 1.00 47.28 O ATOM 1205 CB LEU A 125 -8.956 13.976 -5.350 1.00 51.63 C ATOM 1206 CG LEU A 125 -7.684 13.376 -4.761 1.00 56.11 C ATOM 1207 CD1 LEU A 125 -6.463 13.617 -5.631 1.00 57.55 C ATOM 1208 CD2 LEU A 125 -7.461 13.939 -3.364 1.00 54.69 C ATOM 1209 H LEU A 125 -11.222 14.765 -6.983 1.00 0.00 H ATOM 1210 N ASN A 126 -9.343 11.433 -7.389 1.00 60.51 N ATOM 1211 CA ASN A 126 -9.932 10.105 -7.413 1.00 67.39 C ATOM 1212 C ASN A 126 -9.136 9.233 -6.475 1.00 72.96 C ATOM 1213 O ASN A 126 -7.921 9.081 -6.631 1.00 70.93 O ATOM 1214 CB ASN A 126 -9.937 9.506 -8.811 1.00 69.98 C ATOM 1215 CG ASN A 126 -10.643 8.159 -8.861 1.00 70.39 C ATOM 1216 OD1 ASN A 126 -10.692 7.442 -7.878 1.00 76.46 O ATOM 1217 ND2 ASN A 126 -11.162 7.804 -10.015 1.00 70.80 N ATOM 1218 HD22 ASN A 126 -11.100 8.444 -10.832 1.00 0.00 H ATOM 1219 HD21 ASN A 126 -11.635 6.883 -10.111 1.00 0.00 H ATOM 1220 H ASN A 126 -8.359 11.568 -7.697 1.00 0.00 H ATOM 1221 N LEU A 127 -9.815 8.670 -5.480 1.00 78.37 N ATOM 1222 CA LEU A 127 -9.138 7.847 -4.505 1.00 83.72 C ATOM 1223 C LEU A 127 -9.828 6.512 -4.388 1.00 83.91 C ATOM 1224 O LEU A 127 -11.023 6.443 -4.103 1.00 85.61 O ATOM 1225 CB LEU A 127 -9.135 8.558 -3.166 1.00 88.75 C ATOM 1226 CG LEU A 127 -8.481 9.954 -3.180 1.00 93.26 C ATOM 1227 CD1 LEU A 127 -9.184 10.882 -2.204 1.00 93.94 C ATOM 1228 CD2 LEU A 127 -6.980 9.907 -2.904 1.00 92.14 C ATOM 1229 H LEU A 127 -10.841 8.823 -5.403 1.00 0.00 H ATOM 1230 N SER A 128 -9.065 5.447 -4.617 1.00 83.35 N ATOM 1231 CA SER A 128 -9.562 4.096 -4.425 1.00 79.93 C ATOM 1232 C SER A 128 -10.862 3.839 -5.194 1.00 73.29 C ATOM 1233 O SER A 128 -11.755 3.150 -4.708 1.00 73.89 O ATOM 1234 CB SER A 128 -9.768 3.828 -2.929 1.00 80.09 C ATOM 1235 OG SER A 128 -8.615 4.190 -2.181 1.00 77.92 O ATOM 1236 HG SER A 128 -8.775 4.007 -1.221 1.00 0.00 H ATOM 1237 H SER A 128 -8.087 5.585 -4.942 1.00 0.00 H ATOM 1238 N GLY A 129 -10.968 4.395 -6.395 1.00 63.55 N ATOM 1239 CA GLY A 129 -12.093 4.085 -7.275 1.00 61.74 C ATOM 1240 C GLY A 129 -13.256 5.062 -7.241 1.00 60.04 C ATOM 1241 O GLY A 129 -14.067 5.106 -8.177 1.00 56.92 O ATOM 1242 H GLY A 129 -10.238 5.063 -6.715 1.00 0.00 H ATOM 1243 N LYS A 130 -13.363 5.839 -6.166 1.00 61.07 N ATOM 1244 CA LYS A 130 -14.423 6.844 -6.091 1.00 60.53 C ATOM 1245 C LYS A 130 -13.953 8.245 -6.553 1.00 63.09 C ATOM 1246 O LYS A 130 -12.918 8.760 -6.082 1.00 55.37 O ATOM 1247 CB LYS A 130 -15.055 6.898 -4.701 1.00 57.59 C ATOM 1248 CG LYS A 130 -16.520 7.263 -4.756 1.00 56.05 C ATOM 1249 CD LYS A 130 -17.297 6.598 -3.641 1.00 58.60 C ATOM 1250 CE LYS A 130 -18.692 7.215 -3.505 1.00 59.58 C ATOM 1251 NZ LYS A 130 -19.532 6.998 -4.713 1.00 58.39 N ATOM 1252 HZ1 LYS A 130 -19.069 7.431 -5.538 1.00 0.00 H ATOM 1253 HZ2 LYS A 130 -19.647 5.977 -4.875 1.00 0.00 H ATOM 1254 HZ3 LYS A 130 -20.465 7.435 -4.568 1.00 0.00 H ATOM 1255 H LYS A 130 -12.692 5.732 -5.378 1.00 0.00 H ATOM 1256 N PRO A 131 -14.703 8.834 -7.508 1.00 65.62 N ATOM 1257 CA PRO A 131 -14.543 10.198 -8.001 1.00 65.40 C ATOM 1258 C PRO A 131 -15.099 11.244 -7.015 1.00 64.78 C ATOM 1259 O PRO A 131 -16.260 11.136 -6.584 1.00 59.01 O ATOM 1260 CB PRO A 131 -15.373 10.188 -9.291 1.00 69.22 C ATOM 1261 CG PRO A 131 -16.425 9.152 -9.071 1.00 67.36 C ATOM 1262 CD PRO A 131 -15.708 8.084 -8.297 1.00 70.19 C ATOM 1263 N THR A 132 -14.285 12.251 -6.681 1.00 59.45 N ATOM 1264 CA THR A 132 -14.611 13.178 -5.589 1.00 56.18 C ATOM 1265 C THR A 132 -14.330 14.667 -5.916 1.00 54.37 C ATOM 1266 O THR A 132 -13.250 15.011 -6.388 1.00 53.22 O ATOM 1267 CB THR A 132 -13.863 12.767 -4.290 1.00 56.24 C ATOM 1268 OG1 THR A 132 -14.263 11.452 -3.887 1.00 54.05 O ATOM 1269 CG2 THR A 132 -14.135 13.755 -3.142 1.00 59.51 C ATOM 1270 HG1 THR A 132 -13.781 11.201 -3.060 1.00 0.00 H ATOM 1271 H THR A 132 -13.398 12.381 -7.208 1.00 0.00 H ATOM 1272 N HIS A 133 -15.307 15.534 -5.620 1.00 50.76 N ATOM 1273 CA HIS A 133 -15.182 16.987 -5.816 1.00 48.65 C ATOM 1274 C HIS A 133 -15.061 17.814 -4.551 1.00 48.46 C ATOM 1275 O HIS A 133 -15.264 17.336 -3.434 1.00 51.46 O ATOM 1276 CB HIS A 133 -16.341 17.539 -6.651 1.00 49.30 C ATOM 1277 CG HIS A 133 -16.217 17.231 -8.110 1.00 55.16 C ATOM 1278 ND1 HIS A 133 -17.300 17.166 -8.953 1.00 56.62 N ATOM 1279 CD2 HIS A 133 -15.138 16.931 -8.869 1.00 58.17 C ATOM 1280 CE1 HIS A 133 -16.897 16.836 -10.169 1.00 59.79 C ATOM 1281 NE2 HIS A 133 -15.587 16.706 -10.149 1.00 60.03 N ATOM 1282 H HIS A 133 -16.198 15.162 -5.233 1.00 0.00 H ATOM 1283 N ARG A 134 -14.725 19.084 -4.781 1.00 44.19 N ATOM 1284 CA ARG A 134 -14.476 20.124 -3.758 1.00 36.72 C ATOM 1285 C ARG A 134 -13.334 19.772 -2.796 1.00 32.99 C ATOM 1286 O ARG A 134 -13.409 20.006 -1.606 1.00 28.05 O ATOM 1287 CB ARG A 134 -15.764 20.510 -3.040 1.00 34.01 C ATOM 1288 CG ARG A 134 -16.970 20.619 -3.947 1.00 32.04 C ATOM 1289 CD ARG A 134 -17.845 21.815 -3.609 1.00 33.72 C ATOM 1290 NE ARG A 134 -19.185 21.734 -4.218 1.00 32.88 N ATOM 1291 CZ ARG A 134 -20.340 21.763 -3.546 1.00 33.45 C ATOM 1292 NH1 ARG A 134 -20.365 21.901 -2.220 1.00 34.07 N ATOM 1293 NH2 ARG A 134 -21.502 21.685 -4.201 1.00 32.90 N ATOM 1294 HE ARG A 134 -19.236 21.647 -5.253 1.00 0.00 H ATOM 1295 HH12 ARG A 134 -21.275 21.921 -1.716 1.00 0.00 H ATOM 1296 HH11 ARG A 134 -19.475 21.988 -1.689 1.00 0.00 H ATOM 1297 HH22 ARG A 134 -22.398 21.708 -3.674 1.00 0.00 H ATOM 1298 HH21 ARG A 134 -21.510 21.601 -5.238 1.00 0.00 H ATOM 1299 H ARG A 134 -14.629 19.371 -5.776 1.00 0.00 H ATOM 1300 N THR A 135 -12.264 19.219 -3.356 1.00 33.81 N ATOM 1301 CA THR A 135 -11.108 18.788 -2.574 1.00 35.43 C ATOM 1302 C THR A 135 -10.071 19.903 -2.537 1.00 35.54 C ATOM 1303 O THR A 135 -10.128 20.859 -3.322 1.00 39.84 O ATOM 1304 CB THR A 135 -10.485 17.479 -3.133 1.00 37.93 C ATOM 1305 OG1 THR A 135 -9.687 17.737 -4.313 1.00 38.80 O ATOM 1306 CG2 THR A 135 -11.594 16.465 -3.484 1.00 39.04 C ATOM 1307 HG1 THR A 135 -9.305 16.886 -4.644 1.00 0.00 H ATOM 1308 H THR A 135 -12.249 19.088 -4.388 1.00 0.00 H ATOM 1309 N MET A 136 -9.125 19.789 -1.621 1.00 33.77 N ATOM 1310 CA MET A 136 -8.041 20.733 -1.560 1.00 33.40 C ATOM 1311 C MET A 136 -6.770 19.991 -1.224 1.00 32.06 C ATOM 1312 O MET A 136 -6.824 18.904 -0.674 1.00 34.24 O ATOM 1313 CB MET A 136 -8.333 21.791 -0.498 1.00 37.32 C ATOM 1314 CG MET A 136 -9.327 22.873 -0.907 1.00 37.75 C ATOM 1315 SD MET A 136 -9.194 24.297 0.215 1.00 41.45 S ATOM 1316 CE MET A 136 -9.922 23.628 1.718 1.00 42.01 C ATOM 1317 H MET A 136 -9.165 19.007 -0.936 1.00 0.00 H ATOM 1318 N MET A 137 -5.633 20.612 -1.512 1.00 31.84 N ATOM 1319 CA MET A 137 -4.331 19.939 -1.500 1.00 33.52 C ATOM 1320 C MET A 137 -3.359 20.693 -0.611 1.00 32.18 C ATOM 1321 O MET A 137 -3.382 21.911 -0.563 1.00 30.13 O ATOM 1322 CB MET A 137 -3.791 19.829 -2.958 1.00 36.28 C ATOM 1323 CG MET A 137 -2.456 19.106 -3.154 1.00 39.35 C ATOM 1324 SD MET A 137 -0.924 19.979 -2.716 1.00 42.99 S ATOM 1325 CE MET A 137 -0.825 21.136 -4.088 1.00 46.15 C ATOM 1326 H MET A 137 -5.667 21.622 -1.757 1.00 0.00 H ATOM 1327 N TYR A 138 -2.532 19.948 0.114 1.00 34.35 N ATOM 1328 CA TYR A 138 -1.392 20.498 0.850 1.00 35.60 C ATOM 1329 C TYR A 138 -0.201 19.588 0.566 1.00 39.00 C ATOM 1330 O TYR A 138 -0.353 18.370 0.459 1.00 35.64 O ATOM 1331 CB TYR A 138 -1.661 20.561 2.345 1.00 35.57 C ATOM 1332 CG TYR A 138 -2.834 19.701 2.832 1.00 35.82 C ATOM 1333 CD1 TYR A 138 -2.624 18.495 3.472 1.00 32.85 C ATOM 1334 CD2 TYR A 138 -4.151 20.130 2.661 1.00 34.69 C ATOM 1335 CE1 TYR A 138 -3.675 17.740 3.914 1.00 32.10 C ATOM 1336 CE2 TYR A 138 -5.207 19.374 3.093 1.00 32.34 C ATOM 1337 CZ TYR A 138 -4.964 18.180 3.726 1.00 32.61 C ATOM 1338 OH TYR A 138 -6.016 17.413 4.168 1.00 32.74 O ATOM 1339 HH TYR A 138 -5.667 16.592 4.598 1.00 0.00 H ATOM 1340 H TYR A 138 -2.703 18.923 0.161 1.00 0.00 H ATOM 1341 N ASN A 139 0.986 20.167 0.422 1.00 41.40 N ATOM 1342 CA ASN A 139 2.165 19.372 0.098 1.00 38.31 C ATOM 1343 C ASN A 139 2.829 18.813 1.333 1.00 36.13 C ATOM 1344 O ASN A 139 3.904 19.239 1.717 1.00 34.51 O ATOM 1345 CB ASN A 139 3.145 20.179 -0.757 1.00 38.33 C ATOM 1346 CG ASN A 139 2.624 20.416 -2.172 1.00 36.25 C ATOM 1347 OD1 ASN A 139 3.011 21.361 -2.833 1.00 33.83 O ATOM 1348 ND2 ASN A 139 1.749 19.556 -2.629 1.00 35.80 N ATOM 1349 HD22 ASN A 139 1.442 18.760 -2.034 1.00 0.00 H ATOM 1350 HD21 ASN A 139 1.361 19.669 -3.587 1.00 0.00 H ATOM 1351 H ASN A 139 1.075 21.196 0.541 1.00 0.00 H ATOM 1352 N PHE A 140 2.174 17.809 1.917 1.00 36.38 N ATOM 1353 CA PHE A 140 2.672 17.089 3.112 1.00 36.88 C ATOM 1354 C PHE A 140 2.429 15.559 2.996 1.00 36.76 C ATOM 1355 O PHE A 140 1.345 15.138 2.545 1.00 35.45 O ATOM 1356 CB PHE A 140 2.002 17.634 4.392 1.00 34.87 C ATOM 1357 CG PHE A 140 2.753 17.305 5.661 1.00 31.46 C ATOM 1358 CD1 PHE A 140 3.749 18.148 6.107 1.00 31.61 C ATOM 1359 CD2 PHE A 140 2.478 16.148 6.389 1.00 29.21 C ATOM 1360 CE1 PHE A 140 4.464 17.854 7.248 1.00 31.71 C ATOM 1361 CE2 PHE A 140 3.189 15.849 7.528 1.00 29.39 C ATOM 1362 CZ PHE A 140 4.197 16.703 7.963 1.00 30.11 C ATOM 1363 H PHE A 140 1.263 17.515 1.511 1.00 0.00 H ATOM 1364 N PRO A 141 3.431 14.732 3.388 1.00 35.27 N ATOM 1365 CA PRO A 141 3.329 13.282 3.251 1.00 37.76 C ATOM 1366 C PRO A 141 2.353 12.626 4.248 1.00 40.89 C ATOM 1367 O PRO A 141 2.786 11.989 5.207 1.00 40.83 O ATOM 1368 CB PRO A 141 4.779 12.820 3.496 1.00 36.79 C ATOM 1369 CG PRO A 141 5.386 13.867 4.350 1.00 36.50 C ATOM 1370 CD PRO A 141 4.783 15.132 3.821 1.00 36.15 C ATOM 1371 N THR A 142 1.055 12.734 4.017 1.00 44.51 N ATOM 1372 CA THR A 142 0.108 12.322 5.060 1.00 46.29 C ATOM 1373 C THR A 142 -0.166 10.806 5.108 1.00 52.29 C ATOM 1374 O THR A 142 -0.596 10.190 4.112 1.00 50.15 O ATOM 1375 CB THR A 142 -1.215 13.086 4.957 1.00 41.21 C ATOM 1376 OG1 THR A 142 -1.759 12.945 3.640 1.00 38.36 O ATOM 1377 CG2 THR A 142 -0.983 14.547 5.261 1.00 40.08 C ATOM 1378 HG1 THR A 142 -1.920 11.986 3.451 1.00 0.00 H ATOM 1379 H THR A 142 0.710 13.106 3.109 1.00 0.00 H ATOM 1380 N LYS A 143 0.076 10.230 6.294 1.00 52.12 N ATOM 1381 CA LYS A 143 -0.081 8.788 6.521 1.00 49.09 C ATOM 1382 C LYS A 143 -1.528 8.365 6.799 1.00 46.91 C ATOM 1383 O LYS A 143 -2.417 9.192 7.016 1.00 43.59 O ATOM 1384 CB LYS A 143 0.853 8.282 7.618 1.00 47.75 C ATOM 1385 CG LYS A 143 1.230 9.303 8.664 1.00 50.50 C ATOM 1386 CD LYS A 143 2.021 8.682 9.803 1.00 52.48 C ATOM 1387 CE LYS A 143 2.176 9.707 10.942 1.00 55.61 C ATOM 1388 NZ LYS A 143 2.588 9.141 12.257 1.00 55.12 N ATOM 1389 HZ1 LYS A 143 1.877 8.452 12.574 1.00 0.00 H ATOM 1390 HZ2 LYS A 143 3.509 8.669 12.157 1.00 0.00 H ATOM 1391 HZ3 LYS A 143 2.664 9.908 12.955 1.00 0.00 H ATOM 1392 H LYS A 143 0.388 10.829 7.085 1.00 0.00 H ATOM 1393 N ALA A 144 -1.744 7.053 6.753 1.00 45.58 N ATOM 1394 CA ALA A 144 -3.047 6.469 7.020 1.00 44.38 C ATOM 1395 C ALA A 144 -3.344 6.555 8.525 1.00 43.08 C ATOM 1396 O ALA A 144 -2.419 6.638 9.371 1.00 35.80 O ATOM 1397 CB ALA A 144 -3.088 5.031 6.544 1.00 43.61 C ATOM 1398 H ALA A 144 -0.951 6.423 6.517 1.00 0.00 H ATOM 1399 N GLY A 145 -4.641 6.547 8.849 1.00 39.22 N ATOM 1400 CA GLY A 145 -5.097 6.768 10.230 1.00 38.22 C ATOM 1401 C GLY A 145 -5.115 8.261 10.595 1.00 35.03 C ATOM 1402 O GLY A 145 -5.340 8.636 11.767 1.00 35.17 O ATOM 1403 H GLY A 145 -5.347 6.380 8.104 1.00 0.00 H ATOM 1404 N GLN A 146 -4.877 9.100 9.581 1.00 29.78 N ATOM 1405 CA GLN A 146 -4.928 10.549 9.701 1.00 27.13 C ATOM 1406 C GLN A 146 -6.143 11.138 8.984 1.00 25.67 C ATOM 1407 O GLN A 146 -6.300 12.356 8.938 1.00 23.62 O ATOM 1408 CB GLN A 146 -3.636 11.178 9.164 1.00 26.70 C ATOM 1409 CG GLN A 146 -2.411 10.905 10.043 1.00 26.43 C ATOM 1410 CD GLN A 146 -1.216 11.761 9.679 1.00 24.74 C ATOM 1411 OE1 GLN A 146 -0.987 12.077 8.521 1.00 22.20 O ATOM 1412 NE2 GLN A 146 -0.438 12.115 10.667 1.00 25.07 N ATOM 1413 HE22 GLN A 146 -0.668 11.826 11.639 1.00 0.00 H ATOM 1414 HE21 GLN A 146 0.411 12.686 10.481 1.00 0.00 H ATOM 1415 H GLN A 146 -4.642 8.693 8.653 1.00 0.00 H ATOM 1416 N CYS A 147 -6.979 10.279 8.419 1.00 26.17 N ATOM 1417 CA CYS A 147 -8.243 10.726 7.838 1.00 29.26 C ATOM 1418 C CYS A 147 -9.203 11.203 8.945 1.00 28.11 C ATOM 1419 O CYS A 147 -9.323 10.592 10.006 1.00 28.72 O ATOM 1420 CB CYS A 147 -8.928 9.623 6.988 1.00 32.28 C ATOM 1421 SG CYS A 147 -8.123 9.342 5.435 1.00 36.09 S ATOM 1422 H CYS A 147 -6.731 9.269 8.389 1.00 0.00 H ATOM 1423 N GLY A 148 -9.878 12.309 8.670 1.00 26.62 N ATOM 1424 CA GLY A 148 -10.777 12.940 9.613 1.00 25.25 C ATOM 1425 C GLY A 148 -10.137 14.177 10.166 1.00 24.38 C ATOM 1426 O GLY A 148 -10.828 15.092 10.579 1.00 25.73 O ATOM 1427 H GLY A 148 -9.757 12.744 7.733 1.00 0.00 H ATOM 1428 N GLY A 149 -8.808 14.180 10.180 1.00 24.16 N ATOM 1429 CA GLY A 149 -7.986 15.270 10.728 1.00 23.69 C ATOM 1430 C GLY A 149 -8.423 16.631 10.240 1.00 23.45 C ATOM 1431 O GLY A 149 -8.805 16.787 9.076 1.00 24.03 O ATOM 1432 H GLY A 149 -8.316 13.357 9.777 1.00 0.00 H ATOM 1433 N VAL A 150 -8.360 17.627 11.125 1.00 22.70 N ATOM 1434 CA VAL A 150 -9.013 18.901 10.852 1.00 22.09 C ATOM 1435 C VAL A 150 -8.015 19.936 10.392 1.00 24.44 C ATOM 1436 O VAL A 150 -7.058 20.278 11.114 1.00 27.19 O ATOM 1437 CB VAL A 150 -9.827 19.404 12.055 1.00 20.72 C ATOM 1438 CG1 VAL A 150 -10.698 20.551 11.610 1.00 21.39 C ATOM 1439 CG2 VAL A 150 -10.721 18.284 12.612 1.00 19.44 C ATOM 1440 H VAL A 150 -7.841 17.493 12.016 1.00 0.00 H ATOM 1441 N VAL A 151 -8.233 20.427 9.172 1.00 25.94 N ATOM 1442 CA VAL A 151 -7.372 21.456 8.582 1.00 27.13 C ATOM 1443 C VAL A 151 -7.780 22.827 9.119 1.00 28.44 C ATOM 1444 O VAL A 151 -8.885 23.288 8.865 1.00 28.93 O ATOM 1445 CB VAL A 151 -7.452 21.452 7.039 1.00 26.90 C ATOM 1446 CG1 VAL A 151 -6.292 22.223 6.434 1.00 26.45 C ATOM 1447 CG2 VAL A 151 -7.450 20.037 6.494 1.00 27.14 C ATOM 1448 H VAL A 151 -9.039 20.069 8.622 1.00 0.00 H ATOM 1449 N THR A 152 -6.894 23.484 9.867 1.00 30.67 N ATOM 1450 CA THR A 152 -7.220 24.803 10.437 1.00 33.38 C ATOM 1451 C THR A 152 -6.168 25.910 10.181 1.00 35.37 C ATOM 1452 O THR A 152 -4.985 25.668 10.254 1.00 34.31 O ATOM 1453 CB THR A 152 -7.453 24.699 11.951 1.00 33.18 C ATOM 1454 OG1 THR A 152 -6.325 24.080 12.574 1.00 30.28 O ATOM 1455 CG2 THR A 152 -8.677 23.875 12.229 1.00 36.09 C ATOM 1456 HG1 THR A 152 -5.516 24.624 12.404 1.00 0.00 H ATOM 1457 H THR A 152 -5.962 23.061 10.050 1.00 0.00 H ATOM 1458 N SER A 153 -6.626 27.128 9.895 1.00 37.27 N ATOM 1459 CA SER A 153 -5.755 28.301 9.838 1.00 38.21 C ATOM 1460 C SER A 153 -6.400 29.551 10.427 1.00 37.09 C ATOM 1461 O SER A 153 -7.470 29.998 9.965 1.00 40.10 O ATOM 1462 CB SER A 153 -5.347 28.609 8.376 1.00 41.07 C ATOM 1463 OG SER A 153 -4.329 29.608 8.314 1.00 38.47 O ATOM 1464 HG SER A 153 -4.093 29.779 7.368 1.00 0.00 H ATOM 1465 H SER A 153 -7.641 27.249 9.705 1.00 0.00 H ATOM 1466 N VAL A 154 -5.726 30.130 11.428 1.00 34.78 N ATOM 1467 CA VAL A 154 -6.069 31.447 12.008 1.00 33.42 C ATOM 1468 C VAL A 154 -7.474 31.596 12.575 1.00 30.55 C ATOM 1469 O VAL A 154 -8.050 32.685 12.538 1.00 27.72 O ATOM 1470 CB VAL A 154 -5.853 32.588 10.983 1.00 34.95 C ATOM 1471 CG1 VAL A 154 -4.366 32.842 10.788 1.00 35.47 C ATOM 1472 CG2 VAL A 154 -6.523 32.285 9.668 1.00 36.37 C ATOM 1473 H VAL A 154 -4.909 29.622 11.823 1.00 0.00 H ATOM 1474 N GLY A 155 -7.999 30.516 13.136 1.00 30.59 N ATOM 1475 CA GLY A 155 -9.335 30.524 13.723 1.00 30.41 C ATOM 1476 C GLY A 155 -10.354 30.186 12.690 1.00 29.03 C ATOM 1477 O GLY A 155 -11.523 30.484 12.840 1.00 29.38 O ATOM 1478 H GLY A 155 -7.443 29.638 13.158 1.00 0.00 H ATOM 1479 N LYS A 156 -9.890 29.599 11.608 1.00 30.40 N ATOM 1480 CA LYS A 156 -10.792 29.047 10.620 1.00 33.63 C ATOM 1481 C LYS A 156 -10.607 27.524 10.452 1.00 34.50 C ATOM 1482 O LYS A 156 -9.489 26.974 10.547 1.00 31.81 O ATOM 1483 CB LYS A 156 -10.664 29.752 9.287 1.00 35.69 C ATOM 1484 CG LYS A 156 -11.569 30.976 9.160 1.00 36.54 C ATOM 1485 CD LYS A 156 -10.827 31.996 8.327 1.00 39.48 C ATOM 1486 CE LYS A 156 -9.383 32.062 8.869 1.00 40.84 C ATOM 1487 NZ LYS A 156 -8.376 32.200 7.775 1.00 40.98 N ATOM 1488 HZ1 LYS A 156 -8.445 31.382 7.137 1.00 0.00 H ATOM 1489 HZ2 LYS A 156 -8.562 33.074 7.242 1.00 0.00 H ATOM 1490 HZ3 LYS A 156 -7.422 32.240 8.187 1.00 0.00 H ATOM 1491 H LYS A 156 -8.863 29.531 11.461 1.00 0.00 H ATOM 1492 N VAL A 157 -11.740 26.855 10.238 1.00 33.54 N ATOM 1493 CA VAL A 157 -11.776 25.410 10.111 1.00 32.49 C ATOM 1494 C VAL A 157 -12.170 25.123 8.670 1.00 32.47 C ATOM 1495 O VAL A 157 -13.321 25.358 8.262 1.00 29.36 O ATOM 1496 CB VAL A 157 -12.774 24.812 11.128 1.00 32.24 C ATOM 1497 CG1 VAL A 157 -12.987 23.317 10.886 1.00 31.80 C ATOM 1498 CG2 VAL A 157 -12.301 25.090 12.553 1.00 31.38 C ATOM 1499 H VAL A 157 -12.630 27.388 10.159 1.00 0.00 H ATOM 1500 N ILE A 158 -11.213 24.612 7.899 1.00 34.72 N ATOM 1501 CA ILE A 158 -11.351 24.628 6.422 1.00 36.32 C ATOM 1502 C ILE A 158 -11.473 23.286 5.692 1.00 30.24 C ATOM 1503 O ILE A 158 -12.077 23.225 4.615 1.00 30.49 O ATOM 1504 CB ILE A 158 -10.272 25.522 5.768 1.00 41.22 C ATOM 1505 CG1 ILE A 158 -8.871 25.120 6.225 1.00 41.54 C ATOM 1506 CG2 ILE A 158 -10.545 26.997 6.138 1.00 44.38 C ATOM 1507 CD1 ILE A 158 -7.810 25.445 5.203 1.00 43.94 C ATOM 1508 H ILE A 158 -10.364 24.199 8.334 1.00 0.00 H ATOM 1509 N GLY A 159 -10.977 22.208 6.272 1.00 25.42 N ATOM 1510 CA GLY A 159 -11.170 20.923 5.631 1.00 24.68 C ATOM 1511 C GLY A 159 -11.147 19.748 6.577 1.00 24.78 C ATOM 1512 O GLY A 159 -10.678 19.849 7.705 1.00 25.52 O ATOM 1513 H GLY A 159 -10.458 22.280 7.171 1.00 0.00 H ATOM 1514 N ILE A 160 -11.657 18.628 6.087 1.00 25.04 N ATOM 1515 CA ILE A 160 -11.524 17.328 6.735 1.00 26.59 C ATOM 1516 C ILE A 160 -10.561 16.477 5.902 1.00 27.05 C ATOM 1517 O ILE A 160 -10.761 16.319 4.710 1.00 29.99 O ATOM 1518 CB ILE A 160 -12.920 16.651 6.826 1.00 27.20 C ATOM 1519 CG1 ILE A 160 -13.847 17.452 7.777 1.00 29.34 C ATOM 1520 CG2 ILE A 160 -12.830 15.189 7.249 1.00 26.38 C ATOM 1521 CD1 ILE A 160 -13.214 17.848 9.092 1.00 30.05 C ATOM 1522 H ILE A 160 -12.181 18.678 5.190 1.00 0.00 H ATOM 1523 N HIS A 161 -9.511 15.936 6.492 1.00 27.31 N ATOM 1524 CA HIS A 161 -8.568 15.154 5.704 1.00 29.92 C ATOM 1525 C HIS A 161 -9.209 13.893 5.144 1.00 29.96 C ATOM 1526 O HIS A 161 -9.859 13.166 5.868 1.00 30.49 O ATOM 1527 CB HIS A 161 -7.325 14.792 6.512 1.00 30.54 C ATOM 1528 CG HIS A 161 -6.300 14.032 5.724 1.00 34.35 C ATOM 1529 ND1 HIS A 161 -5.237 14.646 5.092 1.00 35.39 N ATOM 1530 CD2 HIS A 161 -6.187 12.712 5.446 1.00 35.43 C ATOM 1531 CE1 HIS A 161 -4.510 13.738 4.471 1.00 34.65 C ATOM 1532 NE2 HIS A 161 -5.067 12.558 4.662 1.00 35.51 N ATOM 1533 H HIS A 161 -9.358 16.067 7.512 1.00 0.00 H ATOM 1534 N ILE A 162 -9.025 13.641 3.850 1.00 32.16 N ATOM 1535 CA ILE A 162 -9.554 12.437 3.226 1.00 34.57 C ATOM 1536 C ILE A 162 -8.556 11.606 2.420 1.00 37.83 C ATOM 1537 O ILE A 162 -8.857 10.475 2.043 1.00 38.05 O ATOM 1538 CB ILE A 162 -10.723 12.769 2.289 1.00 33.43 C ATOM 1539 CG1 ILE A 162 -10.253 13.669 1.155 1.00 34.84 C ATOM 1540 CG2 ILE A 162 -11.849 13.430 3.061 1.00 33.59 C ATOM 1541 CD1 ILE A 162 -11.172 13.663 -0.052 1.00 35.11 C ATOM 1542 H ILE A 162 -8.491 14.320 3.271 1.00 0.00 H ATOM 1543 N GLY A 163 -7.390 12.154 2.119 1.00 43.38 N ATOM 1544 CA GLY A 163 -6.474 11.465 1.208 1.00 46.12 C ATOM 1545 C GLY A 163 -5.015 11.857 1.240 1.00 49.25 C ATOM 1546 O GLY A 163 -4.634 12.871 1.824 1.00 46.78 O ATOM 1547 H GLY A 163 -7.125 13.072 2.529 1.00 0.00 H ATOM 1548 N GLY A 164 -4.207 11.047 0.562 1.00 57.70 N ATOM 1549 CA GLY A 164 -2.774 11.321 0.423 1.00 59.59 C ATOM 1550 C GLY A 164 -2.090 10.346 -0.507 1.00 58.50 C ATOM 1551 O GLY A 164 -2.545 9.217 -0.640 1.00 60.36 O ATOM 1552 H GLY A 164 -4.604 10.194 0.118 1.00 0.00 H ATOM 1553 N ASN A 165 -1.031 10.788 -1.184 1.00 58.57 N ATOM 1554 CA ASN A 165 -0.299 9.910 -2.117 1.00 50.91 C ATOM 1555 C ASN A 165 1.124 9.620 -1.635 1.00 51.07 C ATOM 1556 O ASN A 165 1.916 8.973 -2.336 1.00 55.25 O ATOM 1557 CB ASN A 165 -0.299 10.472 -3.543 1.00 42.69 C ATOM 1558 CG ASN A 165 0.088 11.940 -3.597 1.00 37.72 C ATOM 1559 OD1 ASN A 165 0.998 12.391 -2.890 1.00 31.77 O ATOM 1560 ND2 ASN A 165 -0.606 12.689 -4.437 1.00 34.30 N ATOM 1561 HD22 ASN A 165 -1.362 12.263 -5.010 1.00 0.00 H ATOM 1562 HD21 ASN A 165 -0.396 13.704 -4.524 1.00 0.00 H ATOM 1563 H ASN A 165 -0.714 11.770 -1.052 1.00 0.00 H ATOM 1564 N GLY A 166 1.437 10.081 -0.430 1.00 47.56 N ATOM 1565 CA GLY A 166 2.742 9.814 0.161 1.00 43.29 C ATOM 1566 C GLY A 166 3.659 10.997 -0.022 1.00 43.53 C ATOM 1567 O GLY A 166 4.661 11.100 0.660 1.00 43.15 O ATOM 1568 H GLY A 166 0.740 10.642 0.101 1.00 0.00 H ATOM 1569 N ARG A 167 3.331 11.886 -0.951 1.00 44.15 N ATOM 1570 CA ARG A 167 4.021 13.172 -1.039 1.00 46.07 C ATOM 1571 C ARG A 167 3.052 14.311 -0.855 1.00 40.97 C ATOM 1572 O ARG A 167 3.467 15.450 -0.650 1.00 39.93 O ATOM 1573 CB ARG A 167 4.735 13.336 -2.396 1.00 48.79 C ATOM 1574 CG ARG A 167 5.769 12.257 -2.686 1.00 47.33 C ATOM 1575 CD ARG A 167 5.256 11.345 -3.777 1.00 45.85 C ATOM 1576 NE ARG A 167 4.476 12.122 -4.726 1.00 45.83 N ATOM 1577 CZ ARG A 167 3.596 11.596 -5.560 1.00 50.34 C ATOM 1578 NH1 ARG A 167 3.384 10.276 -5.576 1.00 54.80 N ATOM 1579 NH2 ARG A 167 2.924 12.394 -6.378 1.00 48.51 N ATOM 1580 HE ARG A 167 4.619 13.152 -4.750 1.00 0.00 H ATOM 1581 HH12 ARG A 167 2.690 9.869 -6.235 1.00 0.00 H ATOM 1582 HH11 ARG A 167 3.913 9.656 -4.930 1.00 0.00 H ATOM 1583 HH22 ARG A 167 2.228 11.994 -7.040 1.00 0.00 H ATOM 1584 HH21 ARG A 167 3.092 13.420 -6.358 1.00 0.00 H ATOM 1585 H ARG A 167 2.572 11.665 -1.627 1.00 0.00 H ATOM 1586 N GLN A 168 1.759 14.009 -0.948 1.00 38.24 N ATOM 1587 CA GLN A 168 0.737 15.041 -0.857 1.00 37.08 C ATOM 1588 C GLN A 168 -0.482 14.580 -0.075 1.00 40.35 C ATOM 1589 O GLN A 168 -0.769 13.382 0.014 1.00 41.37 O ATOM 1590 CB GLN A 168 0.325 15.530 -2.239 1.00 36.55 C ATOM 1591 CG GLN A 168 1.463 16.213 -3.007 1.00 35.95 C ATOM 1592 CD GLN A 168 1.039 16.645 -4.410 1.00 34.61 C ATOM 1593 OE1 GLN A 168 0.550 15.824 -5.187 1.00 31.53 O ATOM 1594 NE2 GLN A 168 1.217 17.933 -4.739 1.00 33.47 N ATOM 1595 HE22 GLN A 168 1.634 18.593 -4.051 1.00 0.00 H ATOM 1596 HE21 GLN A 168 0.938 18.272 -5.682 1.00 0.00 H ATOM 1597 H GLN A 168 1.474 13.019 -1.088 1.00 0.00 H ATOM 1598 N GLY A 169 -1.170 15.554 0.529 1.00 41.94 N ATOM 1599 CA GLY A 169 -2.399 15.335 1.279 1.00 37.01 C ATOM 1600 C GLY A 169 -3.521 16.136 0.640 1.00 37.58 C ATOM 1601 O GLY A 169 -3.301 17.195 0.047 1.00 33.05 O ATOM 1602 H GLY A 169 -0.806 16.526 0.459 1.00 0.00 H ATOM 1603 N PHE A 170 -4.737 15.623 0.746 1.00 37.71 N ATOM 1604 CA PHE A 170 -5.879 16.308 0.227 1.00 39.91 C ATOM 1605 C PHE A 170 -7.003 16.214 1.225 1.00 38.99 C ATOM 1606 O PHE A 170 -7.150 15.209 1.912 1.00 38.66 O ATOM 1607 CB PHE A 170 -6.291 15.682 -1.089 1.00 48.38 C ATOM 1608 CG PHE A 170 -5.143 15.469 -2.036 1.00 53.98 C ATOM 1609 CD1 PHE A 170 -4.713 16.490 -2.861 1.00 54.95 C ATOM 1610 CD2 PHE A 170 -4.495 14.244 -2.090 1.00 57.50 C ATOM 1611 CE1 PHE A 170 -3.661 16.293 -3.729 1.00 58.19 C ATOM 1612 CE2 PHE A 170 -3.431 14.039 -2.942 1.00 61.85 C ATOM 1613 CZ PHE A 170 -3.011 15.070 -3.770 1.00 62.39 C ATOM 1614 H PHE A 170 -4.864 14.704 1.216 1.00 0.00 H ATOM 1615 N CYS A 171 -7.798 17.272 1.322 1.00 37.79 N ATOM 1616 CA CYS A 171 -8.893 17.288 2.288 1.00 35.46 C ATOM 1617 C CYS A 171 -10.119 17.683 1.561 1.00 33.50 C ATOM 1618 O CYS A 171 -10.040 18.304 0.511 1.00 33.73 O ATOM 1619 CB CYS A 171 -8.657 18.303 3.387 1.00 34.58 C ATOM 1620 SG CYS A 171 -8.825 19.987 2.777 1.00 32.02 S ATOM 1621 H CYS A 171 -7.640 18.095 0.706 1.00 0.00 H ATOM 1622 N ALA A 172 -11.256 17.308 2.107 1.00 31.81 N ATOM 1623 CA ALA A 172 -12.509 17.706 1.530 1.00 34.32 C ATOM 1624 C ALA A 172 -12.824 19.016 2.205 1.00 32.29 C ATOM 1625 O ALA A 172 -12.872 19.084 3.418 1.00 38.06 O ATOM 1626 CB ALA A 172 -13.588 16.672 1.798 1.00 36.90 C ATOM 1627 H ALA A 172 -11.247 16.718 2.964 1.00 0.00 H ATOM 1628 N GLY A 173 -12.980 20.061 1.415 1.00 29.68 N ATOM 1629 CA GLY A 173 -13.074 21.402 1.945 1.00 29.41 C ATOM 1630 C GLY A 173 -14.407 21.552 2.611 1.00 28.80 C ATOM 1631 O GLY A 173 -15.363 20.896 2.212 1.00 28.10 O ATOM 1632 H GLY A 173 -13.037 19.916 0.387 1.00 0.00 H ATOM 1633 N LEU A 174 -14.478 22.457 3.591 1.00 28.70 N ATOM 1634 CA LEU A 174 -15.711 22.690 4.338 1.00 28.59 C ATOM 1635 C LEU A 174 -16.431 23.952 3.925 1.00 31.90 C ATOM 1636 O LEU A 174 -15.810 25.005 3.765 1.00 38.06 O ATOM 1637 CB LEU A 174 -15.424 22.729 5.852 1.00 26.41 C ATOM 1638 CG LEU A 174 -15.089 21.399 6.513 1.00 23.52 C ATOM 1639 CD1 LEU A 174 -14.795 21.652 7.963 1.00 23.40 C ATOM 1640 CD2 LEU A 174 -16.246 20.444 6.360 1.00 23.59 C ATOM 1641 H LEU A 174 -13.631 23.012 3.829 1.00 0.00 H ATOM 1642 N LYS A 175 -17.744 23.830 3.774 1.00 34.27 N ATOM 1643 CA LYS A 175 -18.631 24.944 3.443 1.00 35.68 C ATOM 1644 C LYS A 175 -19.619 25.058 4.590 1.00 34.33 C ATOM 1645 O LYS A 175 -20.143 24.048 5.069 1.00 33.28 O ATOM 1646 CB LYS A 175 -19.412 24.623 2.167 1.00 41.11 C ATOM 1647 CG LYS A 175 -19.248 25.630 1.058 1.00 44.08 C ATOM 1648 CD LYS A 175 -19.493 24.986 -0.305 1.00 45.04 C ATOM 1649 CE LYS A 175 -20.749 25.502 -0.965 1.00 45.29 C ATOM 1650 NZ LYS A 175 -20.436 25.887 -2.371 1.00 49.06 N ATOM 1651 HZ1 LYS A 175 -19.708 26.630 -2.372 1.00 0.00 H ATOM 1652 HZ2 LYS A 175 -20.085 25.055 -2.887 1.00 0.00 H ATOM 1653 HZ3 LYS A 175 -21.298 26.244 -2.832 1.00 0.00 H ATOM 1654 H LYS A 175 -18.166 22.888 3.898 1.00 0.00 H ATOM 1655 N ARG A 176 -19.900 26.271 5.038 1.00 34.08 N ATOM 1656 CA ARG A 176 -20.824 26.440 6.166 1.00 33.28 C ATOM 1657 C ARG A 176 -22.259 25.979 5.888 1.00 33.43 C ATOM 1658 O ARG A 176 -22.988 25.641 6.818 1.00 34.50 O ATOM 1659 CB ARG A 176 -20.839 27.890 6.614 1.00 33.72 C ATOM 1660 CG ARG A 176 -21.479 28.102 7.978 1.00 34.68 C ATOM 1661 CD ARG A 176 -21.648 29.578 8.244 1.00 36.24 C ATOM 1662 NE ARG A 176 -20.388 30.219 8.589 1.00 35.69 N ATOM 1663 CZ ARG A 176 -20.177 31.524 8.527 1.00 36.36 C ATOM 1664 NH1 ARG A 176 -21.131 32.350 8.108 1.00 33.64 N ATOM 1665 NH2 ARG A 176 -18.995 32.008 8.870 1.00 38.63 N ATOM 1666 HE ARG A 176 -19.604 29.613 8.904 1.00 0.00 H ATOM 1667 HH12 ARG A 176 -20.951 33.373 8.065 1.00 0.00 H ATOM 1668 HH11 ARG A 176 -22.058 31.973 7.824 1.00 0.00 H ATOM 1669 HH22 ARG A 176 -18.819 33.032 8.825 1.00 0.00 H ATOM 1670 HH21 ARG A 176 -18.241 31.365 9.185 1.00 0.00 H ATOM 1671 H ARG A 176 -19.466 27.104 4.591 1.00 0.00 H ATOM 1672 N SER A 177 -22.667 25.977 4.629 1.00 35.36 N ATOM 1673 CA SER A 177 -24.014 25.542 4.257 1.00 35.92 C ATOM 1674 C SER A 177 -24.233 24.065 4.577 1.00 35.37 C ATOM 1675 O SER A 177 -25.379 23.651 4.796 1.00 32.98 O ATOM 1676 CB SER A 177 -24.266 25.804 2.765 1.00 35.63 C ATOM 1677 OG SER A 177 -23.060 26.193 2.108 1.00 37.99 O ATOM 1678 HG SER A 177 -23.246 26.356 1.149 1.00 0.00 H ATOM 1679 H SER A 177 -22.013 26.293 3.884 1.00 0.00 H ATOM 1680 N TYR A 178 -23.142 23.284 4.603 1.00 32.44 N ATOM 1681 CA TYR A 178 -23.235 21.852 4.814 1.00 31.48 C ATOM 1682 C TYR A 178 -23.889 21.578 6.132 1.00 32.08 C ATOM 1683 O TYR A 178 -24.596 20.581 6.289 1.00 29.21 O ATOM 1684 CB TYR A 178 -21.856 21.204 4.859 1.00 33.35 C ATOM 1685 CG TYR A 178 -21.101 21.102 3.564 1.00 34.29 C ATOM 1686 CD1 TYR A 178 -21.757 21.058 2.340 1.00 35.47 C ATOM 1687 CD2 TYR A 178 -19.724 21.015 3.575 1.00 36.78 C ATOM 1688 CE1 TYR A 178 -21.051 20.980 1.153 1.00 35.31 C ATOM 1689 CE2 TYR A 178 -19.001 20.918 2.394 1.00 39.43 C ATOM 1690 CZ TYR A 178 -19.668 20.911 1.185 1.00 38.07 C ATOM 1691 OH TYR A 178 -18.921 20.810 0.036 1.00 37.52 O ATOM 1692 HH TYR A 178 -19.523 20.817 -0.750 1.00 0.00 H ATOM 1693 H TYR A 178 -22.206 23.717 4.468 1.00 0.00 H ATOM 1694 N PHE A 179 -23.613 22.452 7.103 1.00 34.08 N ATOM 1695 CA PHE A 179 -24.023 22.212 8.510 1.00 35.40 C ATOM 1696 C PHE A 179 -25.227 23.032 9.009 1.00 38.95 C ATOM 1697 O PHE A 179 -25.316 23.320 10.203 1.00 39.30 O ATOM 1698 CB PHE A 179 -22.816 22.412 9.443 1.00 32.61 C ATOM 1699 CG PHE A 179 -21.597 21.601 9.042 1.00 30.81 C ATOM 1700 CD1 PHE A 179 -21.542 20.227 9.285 1.00 29.18 C ATOM 1701 CD2 PHE A 179 -20.518 22.200 8.412 1.00 28.70 C ATOM 1702 CE1 PHE A 179 -20.444 19.490 8.909 1.00 26.98 C ATOM 1703 CE2 PHE A 179 -19.421 21.449 8.023 1.00 28.33 C ATOM 1704 CZ PHE A 179 -19.382 20.096 8.273 1.00 26.70 C ATOM 1705 H PHE A 179 -23.097 23.324 6.868 1.00 0.00 H ATOM 1706 N ALA A 180 -26.157 23.391 8.126 1.00 41.74 N ATOM 1707 CA ALA A 180 -27.297 24.234 8.538 1.00 44.90 C ATOM 1708 C ALA A 180 -28.557 23.413 8.826 1.00 45.64 C ATOM 1709 O ALA A 180 -29.459 23.873 9.550 1.00 45.85 O ATOM 1710 CB ALA A 180 -27.594 25.311 7.508 1.00 44.14 C ATOM 1711 H ALA A 180 -26.080 23.075 7.138 1.00 0.00 H TER 1712 ALA A 180 HETATM 1713 O HOH 1 -27.095 9.395 25.543 1.00 19.13 O HETATM 1714 O HOH 2 -29.475 14.573 26.840 1.00 20.66 O HETATM 1715 O HOH 3 -30.292 9.331 24.562 1.00 19.39 O HETATM 1716 O HOH 4 -22.303 26.573 21.194 1.00 14.44 O HETATM 1717 O HOH 5 -18.254 23.132 24.680 1.00 14.01 O HETATM 1718 O HOH 6 5.587 17.103 0.086 1.00 22.22 O HETATM 1719 O HOH 7 7.363 11.850 0.080 1.00 24.06 O HETATM 1720 O HOH 8 -26.004 6.470 22.436 1.00 7.57 O HETATM 1721 O HOH 9 -13.790 14.539 10.534 1.00 9.19 O HETATM 1722 O HOH 10 -13.821 31.939 10.946 1.00 24.31 O HETATM 1723 O HOH 11 -22.337 12.253 26.819 1.00 16.05 O HETATM 1724 O HOH 12 -3.490 2.585 23.550 1.00 19.14 O HETATM 1725 O HOH 13 0.000 30.789 18.834 1.00 7.04 O HETATM 1726 O25 GHZ A 14 -6.981 5.641 2.091 1.00 -0.39 O HETATM 1727 C23 GHZ A 14 -7.326 6.808 1.994 1.00 0.20 C HETATM 1728 C15 GHZ A 14 -8.002 7.125 0.712 1.00 0.14 C HETATM 1729 C16 GHZ A 14 -9.251 6.233 0.708 1.00 0.02 C HETATM 1730 C17 GHZ A 14 -10.421 6.878 0.013 1.00 -0.04 C HETATM 1731 C22 GHZ A 14 -10.463 8.259 -0.193 1.00 -0.06 C HETATM 1732 C21 GHZ A 14 -11.561 8.834 -0.843 1.00 -0.07 C HETATM 1733 C20 GHZ A 14 -12.619 8.042 -1.289 1.00 -0.07 C HETATM 1734 C19 GHZ A 14 -12.579 6.662 -1.077 1.00 -0.07 C HETATM 1735 C18 GHZ A 14 -11.483 6.078 -0.426 1.00 -0.06 C HETATM 1736 H8 GHZ A 14 -11.458 5.007 -0.263 1.00 0.06 H HETATM 1737 H7 GHZ A 14 -13.399 6.040 -1.417 1.00 0.06 H HETATM 1738 H6 GHZ A 14 -13.464 8.493 -1.796 1.00 0.06 H HETATM 1739 H5 GHZ A 14 -11.589 9.906 -1.002 1.00 0.06 H HETATM 1740 H4 GHZ A 14 -9.647 8.884 0.150 1.00 0.06 H HETATM 1741 H2 GHZ A 14 -9.534 6.019 1.749 1.00 0.05 H HETATM 1742 H3 GHZ A 14 -9.010 5.292 0.192 1.00 0.05 H HETATM 1743 N13 GHZ A 14 -7.272 6.735 -0.495 1.00 -0.24 N HETATM 1744 C12 GHZ A 14 -6.013 7.074 -0.851 1.00 0.32 C HETATM 1745 O11 GHZ A 14 -5.524 6.536 -2.140 1.00 -0.26 O HETATM 1746 C10 GHZ A 14 -4.255 6.842 -2.757 1.00 0.08 C HETATM 1747 C1 GHZ A 14 -4.454 7.758 -3.984 1.00 -0.02 C HETATM 1748 C2 GHZ A 14 -3.920 9.162 -3.711 1.00 -0.06 C HETATM 1749 H26 GHZ A 14 -4.074 9.792 -4.599 1.00 0.02 H HETATM 1750 H27 GHZ A 14 -2.845 9.108 -3.482 1.00 0.02 H HETATM 1751 H28 GHZ A 14 -4.456 9.598 -2.855 1.00 0.02 H HETATM 1752 C3 GHZ A 14 -3.846 7.215 -5.282 1.00 -0.06 C HETATM 1753 H29 GHZ A 14 -4.234 6.204 -5.474 1.00 0.02 H HETATM 1754 H30 GHZ A 14 -2.751 7.175 -5.186 1.00 0.02 H HETATM 1755 H31 GHZ A 14 -4.117 7.876 -6.118 1.00 0.02 H HETATM 1756 H12 GHZ A 14 -5.539 7.839 -4.147 1.00 0.03 H HETATM 1757 H10 GHZ A 14 -3.774 5.906 -3.079 1.00 0.06 H HETATM 1758 H11 GHZ A 14 -3.611 7.352 -2.026 1.00 0.06 H HETATM 1759 O14 GHZ A 14 -5.267 7.794 -0.175 1.00 -0.38 O HETATM 1760 H9 GHZ A 14 -7.765 6.146 -1.135 1.00 0.19 H HETATM 1761 H1 GHZ A 14 -8.252 8.195 0.672 1.00 0.08 H HETATM 1762 N24 GHZ A 14 -7.174 7.735 2.874 1.00 -0.28 N HETATM 1763 C26 GHZ A 14 -6.541 7.490 4.185 1.00 0.07 C HETATM 1764 C27 GHZ A 14 -7.705 7.649 5.187 1.00 0.07 C HETATM 1765 O28 GHZ A 14 -7.333 7.033 6.414 1.00 -0.39 O HETATM 1766 H17 GHZ A 14 -8.041 7.124 7.040 1.00 0.21 H HETATM 1767 H15 GHZ A 14 -8.607 7.164 4.787 1.00 0.06 H HETATM 1768 H16 GHZ A 14 -7.907 8.717 5.355 1.00 0.06 H HETATM 1769 C29 GHZ A 14 -5.289 8.381 4.377 1.00 -0.01 C HETATM 1770 C30 GHZ A 14 -4.311 8.327 3.177 1.00 0.05 C HETATM 1771 C31 GHZ A 14 -3.415 7.075 3.174 1.00 -0.01 C HETATM 1772 C32 GHZ A 14 -1.969 7.535 3.226 1.00 0.03 C HETATM 1773 N33 GHZ A 14 -2.132 8.968 3.280 1.00 -0.29 N HETATM 1774 C34 GHZ A 14 -3.300 9.427 3.279 1.00 0.18 C HETATM 1775 O1 GHZ A 14 -3.578 10.729 3.353 1.00 -0.40 O HETATM 1776 H25 GHZ A 14 -1.339 9.576 3.317 1.00 0.19 H HETATM 1777 H23 GHZ A 14 -1.415 7.226 2.327 1.00 0.05 H HETATM 1778 H24 GHZ A 14 -1.457 7.154 4.122 1.00 0.05 H HETATM 1779 H21 GHZ A 14 -3.589 6.493 2.257 1.00 0.03 H HETATM 1780 H22 GHZ A 14 -3.641 6.452 4.052 1.00 0.03 H HETATM 1781 H20 GHZ A 14 -4.886 8.396 2.242 1.00 0.05 H HETATM 1782 H18 GHZ A 14 -4.755 8.044 5.278 1.00 0.03 H HETATM 1783 H19 GHZ A 14 -5.618 9.422 4.513 1.00 0.03 H HETATM 1784 H14 GHZ A 14 -6.193 6.448 4.233 1.00 0.06 H HETATM 1785 H13 GHZ A 14 -7.497 8.657 2.661 1.00 0.19 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1726 1727 CONECT 1727 1726 1728 1762 CONECT 1728 1727 1729 1743 1761 CONECT 1729 1728 1730 1741 1742 CONECT 1730 1729 1731 1735 CONECT 1731 1730 1732 1740 CONECT 1732 1731 1733 1739 CONECT 1733 1732 1734 1738 CONECT 1734 1733 1735 1737 CONECT 1735 1730 1734 1736 CONECT 1736 1735 CONECT 1737 1734 CONECT 1738 1733 CONECT 1739 1732 CONECT 1740 1731 CONECT 1741 1729 CONECT 1742 1729 CONECT 1743 1728 1744 1760 CONECT 1744 1743 1745 1759 CONECT 1745 1744 1746 CONECT 1746 1745 1747 1757 1758 CONECT 1747 1746 1748 1752 1756 CONECT 1748 1747 1749 1750 1751 CONECT 1749 1748 CONECT 1750 1748 CONECT 1751 1748 CONECT 1752 1747 1753 1754 1755 CONECT 1753 1752 CONECT 1754 1752 CONECT 1755 1752 CONECT 1756 1747 CONECT 1757 1746 CONECT 1758 1746 CONECT 1759 1744 CONECT 1760 1743 CONECT 1761 1728 CONECT 1762 1727 1763 1785 CONECT 1763 1762 1764 1769 1784 CONECT 1764 1763 1765 1767 1768 CONECT 1765 1764 1766 CONECT 1766 1765 CONECT 1767 1764 CONECT 1768 1764 CONECT 1769 1763 1770 1782 1783 CONECT 1770 1769 1771 1774 1781 CONECT 1771 1770 1772 1779 1780 CONECT 1772 1771 1773 1777 1778 CONECT 1773 1772 1774 1776 CONECT 1774 1770 1773 1775 CONECT 1775 1774 CONECT 1776 1773 CONECT 1777 1772 CONECT 1778 1772 CONECT 1779 1771 CONECT 1780 1771 CONECT 1781 1770 CONECT 1782 1769 CONECT 1783 1769 CONECT 1784 1763 CONECT 1785 1762 MASTER 0 0 0 0 0 0 0 0 1784 1 64 14 END
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5c20
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
EV71 3C Proteinase
Ligand Name
GHZ
EC.Number
E.C.3.4.22.28
Resolution
2.75(Å)
Affinity (Kd/Ki/IC50)
IC50=0.3883uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) J.Mol.Recognit. Vol. 29: pp. 520-527
Ligand Properties
Formula
C
2
1
H
3
1
N
3
O
5
Molecular Weight
405.488
Exact Mass
405.226
No. of atoms
60
No. of bonds
61
Polar Surface Area
116.76
LOGP Value
1.76 (
Computed with XLOGP3
)
2.09 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 14
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 2
Canonical SMILES
OC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCC(C)C
InChI String
InChI=1S/C21H31N3O5/c1-14(2)13-29-21(28)24-18(10-15-6-4-3-5-7-15)20(27)23-17(12-25)11-16-8-9-22-19(16)26/h3-7,14,16-18,25H,8-13H2,1-2H3,(H,22,26)(H,23,27)(H,24,28)/t16-,17-,18-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
A9XG43
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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