Browse entries in the PDBbind-CN Database
HEADER 5JF7_COMPLEX COMPND 5JF7_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 129 ALA ALA ILE ASP LYS LEU VAL LYS ALA SER HIS LEU ILE SEQRES 2 A 129 ASP MET ASN ASP ILE ILE ARG GLU GLY ASN PRO THR LEU SEQRES 3 A 129 ARG LYS VAL ALA GLU GLU VAL THR PHE PRO LEU SER GLU SEQRES 4 A 129 LYS GLU GLU ILE LEU GLY GLU LYS MET MET GLN PHE LEU SEQRES 5 A 129 LYS HIS SER GLN ASP PRO ILE MET ALA GLU LYS LEU GLY SEQRES 6 A 129 LEU ARG GLY GLY VAL GLY LEU ALA ALA PRO GLN LEU ASP SEQRES 7 A 129 ILE SER LYS ARG ILE ILE ALA VAL LEU VAL PRO ASN VAL SEQRES 8 A 129 GLU ASP ALA GLN GLY ASN PRO PRO LYS GLU ALA TYR SER SEQRES 9 A 129 LEU GLN GLU VAL MET TYR ASN PRO LYS VAL VAL SER HIS SEQRES 10 A 129 SER VAL GLN ASP ALA ALA LEU SER ASP GLY GLU GLY SEQRES 1 A 73 LEU SER VAL ASP ARG GLU VAL PRO GLY TYR VAL VAL ARG SEQRES 2 A 73 HIS ALA ARG VAL THR ILE GLU TYR PHE ASP LYS THR GLY SEQRES 3 A 73 GLU LYS HIS ARG LEU LYS LEU LYS GLY TYR ASN SER ILE SEQRES 4 A 73 VAL VAL GLN HIS GLU ILE ASP HIS ILE ASP GLY ILE MET SEQRES 5 A 73 PHE TYR ASP ARG ILE ASN GLU LYS ASN PRO PHE ALA VAL SEQRES 6 A 73 LYS GLU GLY LEU LEU ILE LEU GLU HET ZN A 1 1 HET ZN A 2 1 HET ZN A 3 1 HET ZN A 4 1 HET ZN A 5 1 HET ZN A 6 1 HET ZN A 7 1 HET ZN A 8 1 HET ZN A 9 1 HET UNN A 445 24 ATOM 1 N ALA A 2 1.650 -18.331 28.903 1.00 48.15 N ATOM 2 CA ALA A 2 2.065 -17.630 27.641 1.00 46.88 C ATOM 3 C ALA A 2 0.931 -16.651 27.285 1.00 44.62 C ATOM 4 O ALA A 2 -0.077 -16.601 27.985 1.00 45.29 O ATOM 5 CB ALA A 2 2.318 -18.637 26.517 1.00 42.49 C ATOM 6 HN3 ALA A 2 0.759 -18.841 28.738 1.00 0.00 H ATOM 7 HN2 ALA A 2 1.515 -17.630 29.659 1.00 0.00 H ATOM 8 HN1 ALA A 2 2.390 -19.006 29.183 1.00 0.00 H ATOM 9 N ALA A 3 1.081 -15.915 26.199 1.00 38.58 N ATOM 10 CA ALA A 3 0.137 -14.868 25.875 1.00 36.80 C ATOM 11 C ALA A 3 -1.239 -15.469 25.570 1.00 34.10 C ATOM 12 O ALA A 3 -2.304 -14.922 25.922 1.00 29.46 O ATOM 13 CB ALA A 3 0.627 -14.064 24.681 1.00 36.73 C ATOM 14 H ALA A 3 1.889 -16.090 25.568 1.00 0.00 H ATOM 15 N ILE A 4 -1.197 -16.583 24.867 1.00 32.01 N ATOM 16 CA ILE A 4 -2.438 -17.247 24.456 1.00 32.13 C ATOM 17 C ILE A 4 -3.295 -17.605 25.679 1.00 29.37 C ATOM 18 O ILE A 4 -4.480 -17.397 25.667 1.00 30.15 O ATOM 19 CB ILE A 4 -2.129 -18.467 23.532 1.00 31.08 C ATOM 20 CG1 ILE A 4 -3.404 -19.098 23.042 1.00 30.19 C ATOM 21 CG2 ILE A 4 -1.266 -19.510 24.250 1.00 32.38 C ATOM 22 CD1 ILE A 4 -4.184 -18.312 22.050 1.00 29.97 C ATOM 23 H ILE A 4 -0.279 -16.993 24.602 1.00 0.00 H ATOM 24 N ASP A 5 -2.663 -18.024 26.752 1.00 31.51 N ATOM 25 CA ASP A 5 -3.361 -18.437 27.964 1.00 33.69 C ATOM 26 C ASP A 5 -4.112 -17.271 28.609 1.00 30.55 C ATOM 27 O ASP A 5 -5.284 -17.401 28.905 1.00 34.19 O ATOM 28 CB ASP A 5 -2.363 -19.061 28.966 1.00 36.53 C ATOM 29 CG ASP A 5 -1.529 -20.171 28.326 1.00 37.76 C ATOM 30 OD1 ASP A 5 -2.103 -21.234 27.983 1.00 35.41 O ATOM 31 OD2 ASP A 5 -0.329 -19.880 28.070 1.00 42.33 O ATOM 32 H ASP A 5 -1.624 -18.063 26.736 1.00 0.00 H ATOM 33 N LYS A 6 -3.448 -16.136 28.741 1.00 28.39 N ATOM 34 CA LYS A 6 -4.050 -14.908 29.213 1.00 29.55 C ATOM 35 C LYS A 6 -5.227 -14.420 28.328 1.00 29.22 C ATOM 36 O LYS A 6 -6.227 -13.992 28.860 1.00 28.33 O ATOM 37 CB LYS A 6 -2.987 -13.821 29.307 1.00 30.95 C ATOM 38 H LYS A 6 -2.438 -16.125 28.492 1.00 0.00 H ATOM 39 N LEU A 7 -5.123 -14.551 26.986 1.00 25.92 N ATOM 40 CA LEU A 7 -6.145 -14.026 26.093 1.00 25.48 C ATOM 41 C LEU A 7 -7.433 -14.836 26.085 1.00 26.20 C ATOM 42 O LEU A 7 -8.509 -14.287 25.934 1.00 26.79 O ATOM 43 CB LEU A 7 -5.605 -13.976 24.690 1.00 24.99 C ATOM 44 CG LEU A 7 -4.385 -13.070 24.510 1.00 26.06 C ATOM 45 CD1 LEU A 7 -3.683 -13.333 23.195 1.00 26.72 C ATOM 46 CD2 LEU A 7 -4.805 -11.634 24.523 1.00 27.98 C ATOM 47 H LEU A 7 -4.296 -15.037 26.584 1.00 0.00 H ATOM 48 N VAL A 8 -7.320 -16.151 26.293 1.00 26.86 N ATOM 49 CA VAL A 8 -8.475 -17.029 26.263 1.00 26.25 C ATOM 50 C VAL A 8 -9.180 -17.348 27.603 1.00 26.59 C ATOM 51 O VAL A 8 -10.247 -18.011 27.590 1.00 24.38 O ATOM 52 CB VAL A 8 -8.205 -18.336 25.500 1.00 26.47 C ATOM 53 CG1 VAL A 8 -7.802 -18.030 24.059 1.00 28.68 C ATOM 54 CG2 VAL A 8 -7.215 -19.237 26.185 1.00 26.98 C ATOM 55 H VAL A 8 -6.381 -16.556 26.481 1.00 0.00 H ATOM 56 N LYS A 9 -8.663 -16.825 28.704 1.00 27.18 N ATOM 57 CA LYS A 9 -9.430 -16.841 29.969 1.00 29.11 C ATOM 58 C LYS A 9 -10.865 -16.288 29.738 1.00 28.67 C ATOM 59 O LYS A 9 -11.071 -15.301 29.043 1.00 26.23 O ATOM 60 CB LYS A 9 -8.669 -16.087 31.099 1.00 30.19 C ATOM 61 H LYS A 9 -7.714 -16.401 28.679 1.00 0.00 H ATOM 62 N ALA A 10 -11.877 -16.975 30.245 1.00 29.09 N ATOM 63 CA ALA A 10 -13.235 -16.659 29.887 1.00 30.75 C ATOM 64 C ALA A 10 -13.643 -15.230 30.219 1.00 32.24 C ATOM 65 O ALA A 10 -14.411 -14.627 29.470 1.00 34.28 O ATOM 66 CB ALA A 10 -14.174 -17.631 30.601 1.00 34.31 C ATOM 67 H ALA A 10 -11.689 -17.752 30.910 1.00 0.00 H ATOM 68 N SER A 11 -13.157 -14.704 31.338 1.00 30.76 N ATOM 69 CA SER A 11 -13.470 -13.352 31.758 1.00 32.79 C ATOM 70 C SER A 11 -12.563 -12.262 31.123 1.00 30.79 C ATOM 71 O SER A 11 -12.814 -11.085 31.290 1.00 32.36 O ATOM 72 CB SER A 11 -13.320 -13.251 33.268 1.00 33.88 C ATOM 73 OG SER A 11 -11.946 -13.300 33.606 1.00 36.63 O ATOM 74 HG SER A 11 -11.560 -14.155 33.291 1.00 0.00 H ATOM 75 H SER A 11 -12.530 -15.282 31.933 1.00 0.00 H ATOM 76 N HIS A 12 -11.540 -12.635 30.388 1.00 25.25 N ATOM 77 CA HIS A 12 -10.611 -11.644 29.860 1.00 24.07 C ATOM 78 C HIS A 12 -11.167 -11.018 28.590 1.00 22.29 C ATOM 79 O HIS A 12 -11.521 -11.764 27.650 1.00 21.88 O ATOM 80 CB HIS A 12 -9.325 -12.274 29.521 1.00 23.31 C ATOM 81 CG HIS A 12 -8.363 -11.308 28.979 1.00 26.41 C ATOM 82 ND1 HIS A 12 -8.194 -11.120 27.616 1.00 26.76 N ATOM 83 CD2 HIS A 12 -7.522 -10.453 29.587 1.00 27.86 C ATOM 84 CE1 HIS A 12 -7.280 -10.199 27.421 1.00 27.41 C ATOM 85 NE2 HIS A 12 -6.854 -9.783 28.596 1.00 28.04 N ATOM 86 H HIS A 12 -11.392 -13.644 30.182 1.00 0.00 H ATOM 87 N LEU A 13 -11.215 -9.699 28.542 1.00 21.33 N ATOM 88 CA LEU A 13 -11.579 -8.981 27.315 1.00 22.59 C ATOM 89 C LEU A 13 -10.321 -8.386 26.688 1.00 22.31 C ATOM 90 O LEU A 13 -9.504 -7.801 27.406 1.00 21.82 O ATOM 91 CB LEU A 13 -12.560 -7.831 27.568 1.00 22.81 C ATOM 92 CG LEU A 13 -13.860 -8.192 28.270 1.00 24.13 C ATOM 93 CD1 LEU A 13 -14.750 -7.008 28.520 1.00 24.24 C ATOM 94 CD2 LEU A 13 -14.570 -9.260 27.482 1.00 25.51 C ATOM 95 H LEU A 13 -10.988 -9.154 29.398 1.00 0.00 H ATOM 96 N ILE A 14 -10.153 -8.523 25.357 1.00 20.81 N ATOM 97 CA ILE A 14 -9.010 -7.908 24.711 1.00 21.43 C ATOM 98 C ILE A 14 -9.171 -6.357 24.750 1.00 21.49 C ATOM 99 O ILE A 14 -10.249 -5.806 24.550 1.00 22.16 O ATOM 100 CB ILE A 14 -8.783 -8.426 23.232 1.00 20.92 C ATOM 101 CG1 ILE A 14 -8.531 -9.883 23.270 1.00 20.56 C ATOM 102 CG2 ILE A 14 -7.671 -7.627 22.539 1.00 20.51 C ATOM 103 CD1 ILE A 14 -8.437 -10.538 21.922 1.00 22.55 C ATOM 104 H ILE A 14 -10.840 -9.067 24.797 1.00 0.00 H ATOM 105 N ASP A 15 -8.087 -5.686 25.043 1.00 20.85 N ATOM 106 CA ASP A 15 -8.023 -4.242 25.036 1.00 22.98 C ATOM 107 C ASP A 15 -6.599 -3.782 24.501 1.00 23.13 C ATOM 108 O ASP A 15 -5.796 -4.631 24.121 1.00 20.33 O ATOM 109 CB ASP A 15 -8.369 -3.613 26.446 1.00 23.86 C ATOM 110 CG ASP A 15 -7.350 -3.917 27.531 1.00 25.22 C ATOM 111 OD1 ASP A 15 -6.128 -4.039 27.309 1.00 26.75 O ATOM 112 OD2 ASP A 15 -7.783 -4.064 28.683 1.00 30.06 O ATOM 113 H ASP A 15 -7.229 -6.218 25.293 1.00 0.00 H ATOM 114 N MET A 16 -6.334 -2.480 24.511 1.00 24.51 N ATOM 115 CA MET A 16 -5.116 -1.906 23.902 1.00 26.83 C ATOM 116 C MET A 16 -3.894 -2.383 24.538 1.00 24.84 C ATOM 117 O MET A 16 -2.824 -2.482 23.868 1.00 22.02 O ATOM 118 CB MET A 16 -5.097 -0.398 23.957 1.00 30.04 C ATOM 119 CG MET A 16 -6.158 0.225 23.097 1.00 35.60 C ATOM 120 SD MET A 16 -6.110 -0.369 21.380 1.00 43.49 S ATOM 121 CE MET A 16 -4.523 0.345 20.895 1.00 38.62 C ATOM 122 H MET A 16 -7.013 -1.837 24.967 1.00 0.00 H ATOM 123 N ASN A 17 -4.015 -2.750 25.810 1.00 25.07 N ATOM 124 CA ASN A 17 -2.852 -3.368 26.487 1.00 25.82 C ATOM 125 C ASN A 17 -2.377 -4.729 26.072 1.00 23.67 C ATOM 126 O ASN A 17 -1.289 -5.078 26.421 1.00 19.23 O ATOM 127 CB ASN A 17 -2.959 -3.285 27.992 1.00 30.70 C ATOM 128 CG ASN A 17 -2.949 -1.824 28.474 1.00 34.67 C ATOM 129 OD1 ASN A 17 -2.355 -0.924 27.863 1.00 40.91 O ATOM 130 ND2 ASN A 17 -3.701 -1.583 29.498 1.00 39.22 N ATOM 131 HD22 ASN A 17 -4.183 -2.365 29.985 1.00 0.00 H ATOM 132 HD21 ASN A 17 -3.824 -0.607 29.835 1.00 0.00 H ATOM 133 H ASN A 17 -4.910 -2.606 26.320 1.00 0.00 H ATOM 134 N ASP A 18 -3.154 -5.420 25.247 1.00 22.30 N ATOM 135 CA ASP A 18 -2.769 -6.700 24.736 1.00 22.83 C ATOM 136 C ASP A 18 -2.124 -6.582 23.368 1.00 22.06 C ATOM 137 O ASP A 18 -1.652 -7.600 22.827 1.00 22.69 O ATOM 138 CB ASP A 18 -3.968 -7.614 24.605 1.00 24.24 C ATOM 139 CG ASP A 18 -4.650 -7.864 25.887 1.00 25.53 C ATOM 140 OD1 ASP A 18 -5.854 -7.555 25.944 1.00 24.66 O ATOM 141 OD2 ASP A 18 -4.002 -8.353 26.882 1.00 29.12 O ATOM 142 H ASP A 18 -4.071 -5.019 24.963 1.00 0.00 H ATOM 143 N ILE A 19 -2.083 -5.363 22.834 1.00 21.04 N ATOM 144 CA ILE A 19 -1.627 -5.115 21.540 1.00 20.86 C ATOM 145 C ILE A 19 -0.150 -4.754 21.522 1.00 21.44 C ATOM 146 O ILE A 19 0.272 -3.790 22.191 1.00 19.41 O ATOM 147 CB ILE A 19 -2.539 -4.102 20.811 1.00 21.88 C ATOM 148 CG1 ILE A 19 -3.768 -4.881 20.324 1.00 25.14 C ATOM 149 CG2 ILE A 19 -1.830 -3.610 19.570 1.00 22.23 C ATOM 150 CD1 ILE A 19 -4.901 -4.017 19.982 1.00 28.58 C ATOM 151 H ILE A 19 -2.406 -4.559 23.409 1.00 0.00 H ATOM 152 N ILE A 20 0.636 -5.537 20.776 1.00 20.17 N ATOM 153 CA ILE A 20 2.096 -5.280 20.743 1.00 21.80 C ATOM 154 C ILE A 20 2.436 -4.058 19.841 1.00 21.44 C ATOM 155 O ILE A 20 1.669 -3.704 18.965 1.00 21.50 O ATOM 156 CB ILE A 20 2.931 -6.560 20.423 1.00 20.59 C ATOM 157 CG1 ILE A 20 2.700 -7.079 19.005 1.00 20.43 C ATOM 158 CG2 ILE A 20 2.584 -7.631 21.430 1.00 21.62 C ATOM 159 CD1 ILE A 20 3.620 -8.265 18.665 1.00 20.70 C ATOM 160 H ILE A 20 0.228 -6.318 20.224 1.00 0.00 H ATOM 161 N ARG A 21 3.629 -3.509 20.064 1.00 23.84 N ATOM 162 CA ARG A 21 4.120 -2.315 19.486 1.00 25.52 C ATOM 163 C ARG A 21 5.161 -2.521 18.398 1.00 23.62 C ATOM 164 O ARG A 21 5.994 -3.447 18.452 1.00 19.70 O ATOM 165 CB ARG A 21 4.843 -1.516 20.554 1.00 31.00 C ATOM 166 CG ARG A 21 4.105 -1.374 21.893 1.00 37.53 C ATOM 167 CD ARG A 21 3.221 -0.139 21.860 1.00 43.30 C ATOM 168 NE ARG A 21 1.942 -0.424 21.244 1.00 48.65 N ATOM 169 CZ ARG A 21 1.268 0.393 20.424 1.00 52.79 C ATOM 170 NH1 ARG A 21 1.766 1.575 19.948 1.00 49.66 N ATOM 171 NH2 ARG A 21 0.080 -0.032 20.026 1.00 54.46 N ATOM 172 HE ARG A 21 1.508 -1.345 21.457 1.00 0.00 H ATOM 173 HH12 ARG A 21 1.190 2.164 19.313 1.00 0.00 H ATOM 174 HH11 ARG A 21 2.721 1.885 20.221 1.00 0.00 H ATOM 175 HH22 ARG A 21 -0.495 0.555 19.388 1.00 0.00 H ATOM 176 HH21 ARG A 21 -0.279 -0.953 20.351 1.00 0.00 H ATOM 177 H ARG A 21 4.259 -4.005 20.726 1.00 0.00 H ATOM 178 N GLU A 22 5.085 -1.640 17.390 1.00 23.50 N ATOM 179 CA GLU A 22 6.083 -1.483 16.373 1.00 23.70 C ATOM 180 C GLU A 22 7.462 -1.757 16.990 1.00 23.58 C ATOM 181 O GLU A 22 7.768 -1.259 18.077 1.00 22.95 O ATOM 182 CB GLU A 22 6.040 -0.016 15.905 1.00 26.02 C ATOM 183 CG GLU A 22 6.624 0.159 14.542 1.00 27.04 C ATOM 184 CD GLU A 22 6.500 1.558 13.983 1.00 27.24 C ATOM 185 OE1 GLU A 22 6.575 1.617 12.760 1.00 26.53 O ATOM 186 OE2 GLU A 22 6.321 2.554 14.729 1.00 28.33 O ATOM 187 H GLU A 22 4.245 -1.029 17.343 1.00 0.00 H ATOM 188 N GLY A 23 8.258 -2.587 16.381 1.00 22.46 N ATOM 189 CA GLY A 23 9.513 -2.961 16.954 1.00 24.02 C ATOM 190 C GLY A 23 9.534 -4.369 17.530 1.00 24.49 C ATOM 191 O GLY A 23 10.610 -5.052 17.523 1.00 27.35 O ATOM 192 H GLY A 23 7.976 -2.985 15.462 1.00 0.00 H ATOM 193 N ASN A 24 8.398 -4.865 17.998 1.00 23.12 N ATOM 194 CA ASN A 24 8.355 -6.198 18.543 1.00 21.10 C ATOM 195 C ASN A 24 8.514 -7.123 17.359 1.00 21.33 C ATOM 196 O ASN A 24 7.755 -7.002 16.382 1.00 19.92 O ATOM 197 CB ASN A 24 7.018 -6.419 19.210 1.00 21.32 C ATOM 198 CG ASN A 24 6.920 -7.752 19.873 1.00 22.11 C ATOM 199 OD1 ASN A 24 7.334 -8.802 19.322 1.00 24.13 O ATOM 200 ND2 ASN A 24 6.370 -7.751 21.073 1.00 21.68 N ATOM 201 HD22 ASN A 24 6.040 -6.859 21.493 1.00 0.00 H ATOM 202 HD21 ASN A 24 6.266 -8.643 21.598 1.00 0.00 H ATOM 203 H ASN A 24 7.533 -4.289 17.972 1.00 0.00 H ATOM 204 N PRO A 25 9.502 -8.054 17.404 1.00 21.77 N ATOM 205 CA PRO A 25 9.789 -8.993 16.283 1.00 20.51 C ATOM 206 C PRO A 25 8.649 -9.843 15.818 1.00 19.12 C ATOM 207 O PRO A 25 8.668 -10.286 14.686 1.00 17.92 O ATOM 208 CB PRO A 25 10.861 -9.951 16.855 1.00 21.72 C ATOM 209 CG PRO A 25 11.138 -9.512 18.257 1.00 22.48 C ATOM 210 CD PRO A 25 10.414 -8.248 18.557 1.00 22.97 C ATOM 211 N THR A 26 7.670 -10.128 16.675 1.00 18.69 N ATOM 212 CA THR A 26 6.523 -10.926 16.226 1.00 18.03 C ATOM 213 C THR A 26 5.807 -10.325 15.004 1.00 16.86 C ATOM 214 O THR A 26 5.327 -11.087 14.145 1.00 16.32 O ATOM 215 CB THR A 26 5.582 -11.224 17.418 1.00 18.96 C ATOM 216 OG1 THR A 26 6.291 -12.017 18.366 1.00 19.13 O ATOM 217 CG2 THR A 26 4.351 -11.977 16.977 1.00 19.02 C ATOM 218 HG1 THR A 26 5.701 -12.216 19.135 1.00 0.00 H ATOM 219 H THR A 26 7.718 -9.787 17.656 1.00 0.00 H ATOM 220 N LEU A 27 5.858 -9.010 14.849 1.00 16.47 N ATOM 221 CA LEU A 27 5.140 -8.319 13.771 1.00 17.02 C ATOM 222 C LEU A 27 5.845 -8.518 12.412 1.00 17.08 C ATOM 223 O LEU A 27 5.274 -8.188 11.384 1.00 16.37 O ATOM 224 CB LEU A 27 5.003 -6.833 14.017 1.00 17.99 C ATOM 225 CG LEU A 27 4.109 -6.393 15.170 1.00 18.97 C ATOM 226 CD1 LEU A 27 4.280 -4.954 15.439 1.00 19.19 C ATOM 227 CD2 LEU A 27 2.644 -6.743 14.947 1.00 19.41 C ATOM 228 H LEU A 27 6.426 -8.448 15.514 1.00 0.00 H ATOM 229 N ARG A 28 7.110 -8.979 12.436 1.00 16.91 N ATOM 230 CA ARG A 28 7.885 -9.252 11.223 1.00 16.92 C ATOM 231 C ARG A 28 8.060 -10.703 10.898 1.00 16.27 C ATOM 232 O ARG A 28 8.670 -11.045 9.900 1.00 15.31 O ATOM 233 CB ARG A 28 9.264 -8.552 11.298 1.00 17.74 C ATOM 234 CG ARG A 28 9.134 -7.047 11.188 1.00 19.53 C ATOM 235 CD ARG A 28 8.667 -6.561 9.836 1.00 19.11 C ATOM 236 NE ARG A 28 8.851 -5.153 9.536 1.00 20.64 N ATOM 237 CZ ARG A 28 8.336 -4.533 8.477 1.00 20.96 C ATOM 238 NH1 ARG A 28 7.557 -5.246 7.623 1.00 20.01 N ATOM 239 NH2 ARG A 28 8.597 -3.218 8.227 1.00 20.18 N ATOM 240 HE ARG A 28 9.425 -4.589 10.195 1.00 0.00 H ATOM 241 HH12 ARG A 28 7.143 -4.784 6.788 1.00 0.00 H ATOM 242 HH11 ARG A 28 7.375 -6.254 7.804 1.00 0.00 H ATOM 243 HH22 ARG A 28 8.183 -2.755 7.393 1.00 0.00 H ATOM 244 HH21 ARG A 28 9.210 -2.678 8.871 1.00 0.00 H ATOM 245 H ARG A 28 7.558 -9.149 13.359 1.00 0.00 H ATOM 246 N LYS A 29 7.487 -11.607 11.651 1.00 16.08 N ATOM 247 CA LYS A 29 7.554 -13.016 11.225 1.00 17.20 C ATOM 248 C LYS A 29 6.507 -13.390 10.175 1.00 15.79 C ATOM 249 O LYS A 29 5.501 -12.657 10.022 1.00 15.75 O ATOM 250 CB LYS A 29 7.297 -13.907 12.423 1.00 18.34 C ATOM 251 CG LYS A 29 8.390 -13.768 13.389 1.00 21.47 C ATOM 252 CD LYS A 29 7.950 -14.323 14.719 1.00 25.53 C ATOM 253 CE LYS A 29 9.174 -14.202 15.593 1.00 29.55 C ATOM 254 NZ LYS A 29 8.752 -14.860 16.853 1.00 37.30 N ATOM 255 HZ1 LYS A 29 7.929 -14.359 17.246 1.00 0.00 H ATOM 256 HZ2 LYS A 29 8.496 -15.849 16.657 1.00 0.00 H ATOM 257 HZ3 LYS A 29 9.535 -14.832 17.537 1.00 0.00 H ATOM 258 H LYS A 29 6.997 -11.338 12.528 1.00 0.00 H ATOM 259 N VAL A 30 6.713 -14.540 9.537 1.00 14.60 N ATOM 260 CA VAL A 30 5.640 -15.255 8.770 1.00 14.77 C ATOM 261 C VAL A 30 4.938 -16.161 9.778 1.00 14.73 C ATOM 262 O VAL A 30 5.562 -17.063 10.372 1.00 15.54 O ATOM 263 CB VAL A 30 6.155 -16.065 7.587 1.00 14.35 C ATOM 264 CG1 VAL A 30 5.038 -16.761 6.817 1.00 13.75 C ATOM 265 CG2 VAL A 30 6.901 -15.138 6.604 1.00 15.24 C ATOM 266 H VAL A 30 7.663 -14.963 9.572 1.00 0.00 H ATOM 267 N ALA A 31 3.667 -15.864 10.054 1.00 14.87 N ATOM 268 CA ALA A 31 2.870 -16.614 10.990 1.00 15.20 C ATOM 269 C ALA A 31 2.665 -18.052 10.513 1.00 15.63 C ATOM 270 O ALA A 31 2.610 -18.396 9.343 1.00 13.73 O ATOM 271 CB ALA A 31 1.502 -15.933 11.272 1.00 15.09 C ATOM 272 H ALA A 31 3.231 -15.053 9.571 1.00 0.00 H ATOM 273 N GLU A 32 2.501 -18.897 11.508 1.00 17.54 N ATOM 274 CA GLU A 32 2.375 -20.340 11.297 1.00 18.92 C ATOM 275 C GLU A 32 0.926 -20.736 10.927 1.00 18.05 C ATOM 276 O GLU A 32 -0.026 -20.183 11.530 1.00 15.11 O ATOM 277 CB GLU A 32 2.772 -21.020 12.608 1.00 22.16 C ATOM 278 CG GLU A 32 3.135 -22.424 12.439 1.00 28.00 C ATOM 279 CD GLU A 32 4.370 -22.621 11.547 1.00 30.49 C ATOM 280 OE1 GLU A 32 5.237 -21.716 11.378 1.00 33.70 O ATOM 281 OE2 GLU A 32 4.451 -23.712 11.014 1.00 41.23 O ATOM 282 H GLU A 32 2.459 -18.527 12.479 1.00 0.00 H ATOM 283 N GLU A 33 0.749 -21.572 9.894 1.00 18.12 N ATOM 284 CA GLU A 33 -0.595 -22.042 9.458 1.00 20.63 C ATOM 285 C GLU A 33 -1.246 -22.745 10.625 1.00 19.04 C ATOM 286 O GLU A 33 -0.489 -23.394 11.429 1.00 16.46 O ATOM 287 CB GLU A 33 -0.535 -23.098 8.327 1.00 24.44 C ATOM 288 CG GLU A 33 -0.052 -22.546 7.015 1.00 32.43 C ATOM 289 CD GLU A 33 -1.107 -22.440 5.882 1.00 40.48 C ATOM 290 OE1 GLU A 33 -1.929 -23.397 5.759 1.00 50.39 O ATOM 291 OE2 GLU A 33 -1.073 -21.448 5.076 1.00 42.94 O ATOM 292 H GLU A 33 1.586 -21.906 9.375 1.00 0.00 H ATOM 293 N VAL A 34 -2.576 -22.655 10.737 1.00 17.26 N ATOM 294 CA VAL A 34 -3.265 -23.465 11.773 1.00 18.94 C ATOM 295 C VAL A 34 -3.631 -24.824 11.148 1.00 19.55 C ATOM 296 O VAL A 34 -3.858 -24.908 9.967 1.00 17.56 O ATOM 297 CB VAL A 34 -4.553 -22.866 12.349 1.00 19.90 C ATOM 298 CG1 VAL A 34 -4.354 -21.466 12.883 1.00 21.00 C ATOM 299 CG2 VAL A 34 -5.583 -22.753 11.302 1.00 20.96 C ATOM 300 H VAL A 34 -3.118 -22.028 10.109 1.00 0.00 H ATOM 301 N THR A 35 -3.766 -25.847 11.974 1.00 20.15 N ATOM 302 CA THR A 35 -4.304 -27.131 11.542 1.00 22.39 C ATOM 303 C THR A 35 -5.698 -27.398 12.032 1.00 21.44 C ATOM 304 O THR A 35 -6.073 -26.999 13.122 1.00 21.59 O ATOM 305 CB THR A 35 -3.385 -28.264 12.041 1.00 25.33 C ATOM 306 OG1 THR A 35 -3.113 -28.017 13.426 1.00 29.89 O ATOM 307 CG2 THR A 35 -2.086 -28.218 11.281 1.00 26.20 C ATOM 308 HG1 THR A 35 -3.964 -28.012 13.932 1.00 0.00 H ATOM 309 H THR A 35 -3.478 -25.732 12.967 1.00 0.00 H ATOM 310 N PHE A 36 -6.473 -28.111 11.234 1.00 21.48 N ATOM 311 CA PHE A 36 -7.810 -28.525 11.642 1.00 22.44 C ATOM 312 C PHE A 36 -7.905 -30.020 12.004 1.00 24.80 C ATOM 313 O PHE A 36 -7.230 -30.833 11.471 1.00 25.62 O ATOM 314 CB PHE A 36 -8.838 -28.249 10.523 1.00 21.88 C ATOM 315 CG PHE A 36 -9.006 -26.838 10.251 1.00 21.55 C ATOM 316 CD1 PHE A 36 -8.197 -26.200 9.324 1.00 21.13 C ATOM 317 CD2 PHE A 36 -9.914 -26.102 11.010 1.00 20.86 C ATOM 318 CE1 PHE A 36 -8.356 -24.807 9.115 1.00 21.23 C ATOM 319 CE2 PHE A 36 -10.086 -24.750 10.808 1.00 21.15 C ATOM 320 CZ PHE A 36 -9.256 -24.077 9.901 1.00 20.95 C ATOM 321 H PHE A 36 -6.121 -28.383 10.294 1.00 0.00 H ATOM 322 N PRO A 37 -8.784 -30.384 12.893 1.00 25.54 N ATOM 323 CA PRO A 37 -9.640 -29.503 13.723 1.00 25.39 C ATOM 324 C PRO A 37 -8.881 -28.554 14.710 1.00 24.10 C ATOM 325 O PRO A 37 -7.762 -28.835 15.139 1.00 23.07 O ATOM 326 CB PRO A 37 -10.558 -30.530 14.475 1.00 26.00 C ATOM 327 CG PRO A 37 -9.786 -31.802 14.446 1.00 26.79 C ATOM 328 CD PRO A 37 -8.919 -31.809 13.201 1.00 26.92 C ATOM 329 N LEU A 38 -9.461 -27.377 14.964 1.00 22.41 N ATOM 330 CA LEU A 38 -8.779 -26.349 15.720 1.00 21.35 C ATOM 331 C LEU A 38 -8.656 -26.771 17.174 1.00 20.39 C ATOM 332 O LEU A 38 -9.543 -27.355 17.657 1.00 19.72 O ATOM 333 CB LEU A 38 -9.608 -25.037 15.736 1.00 21.57 C ATOM 334 CG LEU A 38 -9.672 -24.167 14.512 1.00 20.27 C ATOM 335 CD1 LEU A 38 -10.427 -22.905 14.821 1.00 19.52 C ATOM 336 CD2 LEU A 38 -8.273 -23.978 14.007 1.00 20.00 C ATOM 337 H LEU A 38 -10.422 -27.196 14.611 1.00 0.00 H ATOM 338 N SER A 39 -7.630 -26.380 17.873 1.00 20.68 N ATOM 339 CA SER A 39 -7.680 -26.448 19.293 1.00 22.59 C ATOM 340 C SER A 39 -8.699 -25.471 19.860 1.00 23.85 C ATOM 341 O SER A 39 -9.151 -24.470 19.204 1.00 20.55 O ATOM 342 CB SER A 39 -6.321 -26.111 19.860 1.00 24.33 C ATOM 343 OG SER A 39 -5.990 -24.726 19.769 1.00 23.85 O ATOM 344 HG SER A 39 -5.091 -24.576 20.157 1.00 0.00 H ATOM 345 H SER A 39 -6.779 -26.020 17.396 1.00 0.00 H ATOM 346 N GLU A 40 -9.051 -25.734 21.123 1.00 25.87 N ATOM 347 CA GLU A 40 -9.955 -24.884 21.814 1.00 27.83 C ATOM 348 C GLU A 40 -9.405 -23.449 21.922 1.00 23.78 C ATOM 349 O GLU A 40 -10.152 -22.476 21.732 1.00 21.25 O ATOM 350 CB GLU A 40 -10.278 -25.461 23.214 1.00 35.24 C ATOM 351 CG GLU A 40 -11.689 -25.079 23.628 1.00 42.28 C ATOM 352 CD GLU A 40 -11.917 -25.008 25.169 1.00 50.49 C ATOM 353 OE1 GLU A 40 -10.937 -25.157 25.966 1.00 48.41 O ATOM 354 OE2 GLU A 40 -13.101 -24.763 25.572 1.00 55.24 O ATOM 355 H GLU A 40 -8.659 -26.569 21.604 1.00 0.00 H ATOM 356 N LYS A 41 -8.130 -23.323 22.211 1.00 22.68 N ATOM 357 CA LYS A 41 -7.494 -22.027 22.343 1.00 24.16 C ATOM 358 C LYS A 41 -7.587 -21.216 21.020 1.00 23.66 C ATOM 359 O LYS A 41 -7.844 -20.019 21.084 1.00 24.24 O ATOM 360 CB LYS A 41 -6.017 -22.060 22.761 1.00 25.89 C ATOM 361 CG LYS A 41 -5.677 -22.600 24.148 1.00 30.02 C ATOM 362 CD LYS A 41 -4.121 -22.610 24.228 1.00 32.29 C ATOM 363 CE LYS A 41 -3.635 -23.486 25.348 1.00 34.51 C ATOM 364 NZ LYS A 41 -2.364 -23.120 25.999 1.00 34.19 N ATOM 365 HZ1 LYS A 41 -1.600 -23.127 25.293 1.00 0.00 H ATOM 366 HZ2 LYS A 41 -2.448 -22.169 26.411 1.00 0.00 H ATOM 367 HZ3 LYS A 41 -2.150 -23.807 26.750 1.00 0.00 H ATOM 368 H LYS A 41 -7.558 -24.181 22.350 1.00 0.00 H ATOM 369 N GLU A 42 -7.391 -21.860 19.881 1.00 22.01 N ATOM 370 CA GLU A 42 -7.471 -21.154 18.594 1.00 21.87 C ATOM 371 C GLU A 42 -8.864 -20.700 18.273 1.00 20.96 C ATOM 372 O GLU A 42 -9.049 -19.678 17.625 1.00 19.75 O ATOM 373 CB GLU A 42 -6.851 -21.967 17.456 1.00 23.10 C ATOM 374 CG GLU A 42 -5.341 -22.106 17.557 1.00 24.79 C ATOM 375 CD GLU A 42 -4.778 -23.294 16.763 1.00 28.24 C ATOM 376 OE1 GLU A 42 -5.445 -24.396 16.538 1.00 27.90 O ATOM 377 OE2 GLU A 42 -3.603 -23.150 16.420 1.00 28.36 O ATOM 378 H GLU A 42 -7.178 -22.878 19.896 1.00 0.00 H ATOM 379 N GLU A 43 -9.841 -21.499 18.630 1.00 21.25 N ATOM 380 CA GLU A 43 -11.213 -21.150 18.472 1.00 22.22 C ATOM 381 C GLU A 43 -11.647 -19.982 19.313 1.00 21.37 C ATOM 382 O GLU A 43 -12.387 -19.076 18.820 1.00 18.24 O ATOM 383 CB GLU A 43 -12.128 -22.349 18.748 1.00 26.73 C ATOM 384 CG GLU A 43 -13.615 -22.048 18.674 1.00 31.86 C ATOM 385 CD GLU A 43 -14.497 -23.190 19.209 1.00 39.78 C ATOM 386 OE1 GLU A 43 -15.613 -22.876 19.693 1.00 47.29 O ATOM 387 OE2 GLU A 43 -14.042 -24.375 19.191 1.00 43.99 O ATOM 388 H GLU A 43 -9.605 -22.423 19.044 1.00 0.00 H ATOM 389 N ILE A 44 -11.224 -20.007 20.572 1.00 20.54 N ATOM 390 CA ILE A 44 -11.557 -18.965 21.525 1.00 21.27 C ATOM 391 C ILE A 44 -10.862 -17.670 21.114 1.00 20.12 C ATOM 392 O ILE A 44 -11.521 -16.603 21.095 1.00 21.13 O ATOM 393 CB ILE A 44 -11.289 -19.362 23.001 1.00 21.73 C ATOM 394 CG1 ILE A 44 -12.296 -20.429 23.464 1.00 23.59 C ATOM 395 CG2 ILE A 44 -11.469 -18.205 23.936 1.00 22.62 C ATOM 396 CD1 ILE A 44 -11.864 -21.032 24.823 1.00 24.40 C ATOM 397 H ILE A 44 -10.632 -20.803 20.886 1.00 0.00 H ATOM 398 N LEU A 45 -9.619 -17.753 20.676 1.00 19.80 N ATOM 399 CA LEU A 45 -8.886 -16.576 20.275 1.00 19.43 C ATOM 400 C LEU A 45 -9.594 -15.808 19.148 1.00 18.70 C ATOM 401 O LEU A 45 -9.781 -14.589 19.191 1.00 17.99 O ATOM 402 CB LEU A 45 -7.504 -16.943 19.838 1.00 20.27 C ATOM 403 CG LEU A 45 -6.705 -15.738 19.352 1.00 19.49 C ATOM 404 CD1 LEU A 45 -6.519 -14.741 20.475 1.00 20.76 C ATOM 405 CD2 LEU A 45 -5.412 -16.292 18.897 1.00 20.15 C ATOM 406 H LEU A 45 -9.159 -18.684 20.619 1.00 0.00 H ATOM 407 N GLY A 46 -10.056 -16.545 18.182 1.00 18.26 N ATOM 408 CA GLY A 46 -10.759 -15.974 17.051 1.00 17.20 C ATOM 409 C GLY A 46 -12.026 -15.299 17.537 1.00 17.08 C ATOM 410 O GLY A 46 -12.339 -14.196 17.104 1.00 16.75 O ATOM 411 H GLY A 46 -9.917 -17.575 18.222 1.00 0.00 H ATOM 412 N GLU A 47 -12.716 -15.860 18.498 1.00 18.53 N ATOM 413 CA GLU A 47 -13.920 -15.226 19.048 1.00 19.27 C ATOM 414 C GLU A 47 -13.684 -14.013 19.883 1.00 17.79 C ATOM 415 O GLU A 47 -14.419 -13.081 19.803 1.00 18.27 O ATOM 416 CB GLU A 47 -14.701 -16.220 19.900 1.00 23.48 C ATOM 417 CG GLU A 47 -15.382 -17.285 19.054 1.00 25.52 C ATOM 418 CD GLU A 47 -15.732 -18.569 19.868 1.00 32.06 C ATOM 419 OE1 GLU A 47 -15.442 -18.699 21.101 1.00 30.61 O ATOM 420 OE2 GLU A 47 -16.273 -19.495 19.210 1.00 40.97 O ATOM 421 H GLU A 47 -12.404 -16.775 18.880 1.00 0.00 H ATOM 422 N LYS A 48 -12.641 -14.004 20.639 1.00 17.00 N ATOM 423 CA LYS A 48 -12.233 -12.829 21.387 1.00 17.38 C ATOM 424 C LYS A 48 -11.764 -11.697 20.470 1.00 16.25 C ATOM 425 O LYS A 48 -11.945 -10.522 20.859 1.00 14.72 O ATOM 426 CB LYS A 48 -11.116 -13.093 22.355 1.00 18.01 C ATOM 427 CG LYS A 48 -11.413 -14.156 23.389 1.00 21.13 C ATOM 428 CD LYS A 48 -12.134 -13.696 24.570 1.00 21.74 C ATOM 429 CE LYS A 48 -11.880 -14.675 25.701 1.00 23.65 C ATOM 430 NZ LYS A 48 -12.582 -14.114 26.835 1.00 24.79 N ATOM 431 HZ1 LYS A 48 -12.199 -13.171 27.046 1.00 0.00 H ATOM 432 HZ2 LYS A 48 -13.594 -14.036 26.610 1.00 0.00 H ATOM 433 HZ3 LYS A 48 -12.456 -14.734 27.661 1.00 0.00 H ATOM 434 H LYS A 48 -12.071 -14.870 20.716 1.00 0.00 H ATOM 435 N MET A 49 -11.158 -12.062 19.323 1.00 15.21 N ATOM 436 CA MET A 49 -10.729 -11.060 18.297 1.00 14.84 C ATOM 437 C MET A 49 -11.913 -10.388 17.668 1.00 14.21 C ATOM 438 O MET A 49 -11.918 -9.122 17.619 1.00 13.13 O ATOM 439 CB MET A 49 -9.788 -11.663 17.219 1.00 15.67 C ATOM 440 CG MET A 49 -8.450 -12.046 17.761 1.00 15.48 C ATOM 441 SD MET A 49 -7.525 -13.133 16.641 1.00 18.78 S ATOM 442 CE MET A 49 -7.181 -12.098 15.237 1.00 17.44 C ATOM 443 H MET A 49 -10.983 -13.072 19.145 1.00 0.00 H ATOM 444 N MET A 50 -12.959 -11.147 17.245 1.00 14.77 N ATOM 445 CA MET A 50 -14.204 -10.553 16.780 1.00 15.39 C ATOM 446 C MET A 50 -14.871 -9.690 17.889 1.00 16.10 C ATOM 447 O MET A 50 -15.454 -8.678 17.603 1.00 16.96 O ATOM 448 CB MET A 50 -15.238 -11.621 16.300 1.00 17.45 C ATOM 449 CG MET A 50 -16.502 -11.087 15.658 1.00 17.88 C ATOM 450 SD MET A 50 -16.185 -9.920 14.314 1.00 20.76 S ATOM 451 CE MET A 50 -15.562 -10.898 13.022 1.00 20.50 C ATOM 452 H MET A 50 -12.867 -12.183 17.254 1.00 0.00 H ATOM 453 N GLN A 51 -14.870 -10.156 19.113 1.00 15.89 N ATOM 454 CA GLN A 51 -15.425 -9.419 20.222 1.00 18.03 C ATOM 455 C GLN A 51 -14.734 -8.031 20.459 1.00 16.89 C ATOM 456 O GLN A 51 -15.419 -7.042 20.678 1.00 15.17 O ATOM 457 CB GLN A 51 -15.511 -10.325 21.505 1.00 20.14 C ATOM 458 CG GLN A 51 -15.856 -9.564 22.760 1.00 21.33 C ATOM 459 CD GLN A 51 -15.662 -10.375 24.011 1.00 22.81 C ATOM 460 OE1 GLN A 51 -14.550 -10.787 24.351 1.00 24.70 O ATOM 461 NE2 GLN A 51 -16.740 -10.492 24.796 1.00 26.42 N ATOM 462 HE22 GLN A 51 -17.660 -10.132 24.473 1.00 0.00 H ATOM 463 HE21 GLN A 51 -16.657 -10.943 25.729 1.00 0.00 H ATOM 464 H GLN A 51 -14.454 -11.092 19.292 1.00 0.00 H ATOM 465 N PHE A 52 -13.408 -8.000 20.285 1.00 15.43 N ATOM 466 CA PHE A 52 -12.655 -6.812 20.312 1.00 16.06 C ATOM 467 C PHE A 52 -13.144 -5.798 19.246 1.00 15.69 C ATOM 468 O PHE A 52 -13.306 -4.597 19.581 1.00 14.00 O ATOM 469 CB PHE A 52 -11.168 -7.086 20.201 1.00 16.39 C ATOM 470 CG PHE A 52 -10.350 -5.889 20.052 1.00 17.90 C ATOM 471 CD1 PHE A 52 -10.000 -5.423 18.783 1.00 18.59 C ATOM 472 CD2 PHE A 52 -9.861 -5.237 21.137 1.00 19.01 C ATOM 473 CE1 PHE A 52 -9.246 -4.300 18.628 1.00 18.76 C ATOM 474 CE2 PHE A 52 -9.053 -4.126 20.975 1.00 19.98 C ATOM 475 CZ PHE A 52 -8.751 -3.636 19.727 1.00 19.67 C ATOM 476 H PHE A 52 -12.909 -8.898 20.122 1.00 0.00 H ATOM 477 N LEU A 53 -13.407 -6.272 18.027 1.00 14.27 N ATOM 478 CA LEU A 53 -13.812 -5.408 17.010 1.00 14.41 C ATOM 479 C LEU A 53 -15.209 -4.860 17.260 1.00 15.50 C ATOM 480 O LEU A 53 -15.458 -3.710 16.953 1.00 14.47 O ATOM 481 CB LEU A 53 -13.783 -6.092 15.658 1.00 14.35 C ATOM 482 CG LEU A 53 -12.325 -6.415 15.159 1.00 14.33 C ATOM 483 CD1 LEU A 53 -12.386 -7.101 13.787 1.00 14.42 C ATOM 484 CD2 LEU A 53 -11.392 -5.236 15.029 1.00 13.60 C ATOM 485 H LEU A 53 -13.310 -7.289 17.834 1.00 0.00 H ATOM 486 N LYS A 54 -16.120 -5.695 17.747 1.00 16.73 N ATOM 487 CA LYS A 54 -17.486 -5.280 18.075 1.00 18.95 C ATOM 488 C LYS A 54 -17.461 -4.214 19.175 1.00 17.47 C ATOM 489 O LYS A 54 -18.084 -3.211 19.071 1.00 17.48 O ATOM 490 CB LYS A 54 -18.359 -6.451 18.572 1.00 21.64 C ATOM 491 CG LYS A 54 -18.651 -7.545 17.581 1.00 26.56 C ATOM 492 CD LYS A 54 -19.829 -7.278 16.708 1.00 29.95 C ATOM 493 CE LYS A 54 -20.233 -8.547 15.962 1.00 34.66 C ATOM 494 NZ LYS A 54 -21.713 -8.740 16.191 1.00 41.49 N ATOM 495 HZ1 LYS A 54 -21.895 -8.838 17.210 1.00 0.00 H ATOM 496 HZ2 LYS A 54 -22.230 -7.916 15.823 1.00 0.00 H ATOM 497 HZ3 LYS A 54 -22.030 -9.598 15.697 1.00 0.00 H ATOM 498 H LYS A 54 -15.851 -6.688 17.902 1.00 0.00 H ATOM 499 N HIS A 55 -16.696 -4.439 20.213 1.00 16.87 N ATOM 500 CA HIS A 55 -16.480 -3.438 21.291 1.00 17.97 C ATOM 501 C HIS A 55 -15.886 -2.146 20.884 1.00 18.24 C ATOM 502 O HIS A 55 -16.343 -1.052 21.350 1.00 19.33 O ATOM 503 CB HIS A 55 -15.567 -4.034 22.326 1.00 17.64 C ATOM 504 CG HIS A 55 -16.208 -5.086 23.122 1.00 17.27 C ATOM 505 ND1 HIS A 55 -15.500 -5.888 23.990 1.00 19.04 N ATOM 506 CD2 HIS A 55 -17.507 -5.426 23.275 1.00 18.60 C ATOM 507 CE1 HIS A 55 -16.326 -6.751 24.565 1.00 18.52 C ATOM 508 NE2 HIS A 55 -17.551 -6.489 24.153 1.00 18.12 N ATOM 509 H HIS A 55 -16.218 -5.359 20.287 1.00 0.00 H ATOM 510 N SER A 56 -14.929 -2.233 19.950 1.00 18.04 N ATOM 511 CA SER A 56 -14.277 -1.108 19.385 1.00 18.11 C ATOM 512 C SER A 56 -15.244 -0.261 18.588 1.00 18.84 C ATOM 513 O SER A 56 -15.032 0.940 18.469 1.00 18.29 O ATOM 514 CB SER A 56 -13.064 -1.517 18.471 1.00 18.21 C ATOM 515 OG SER A 56 -13.550 -1.600 17.123 1.00 18.86 O ATOM 516 HG SER A 56 -14.267 -2.281 17.073 1.00 0.00 H ATOM 517 H SER A 56 -14.649 -3.179 19.621 1.00 0.00 H ATOM 518 N GLN A 57 -16.327 -0.843 18.113 1.00 19.33 N ATOM 519 CA GLN A 57 -17.237 -0.130 17.262 1.00 21.32 C ATOM 520 C GLN A 57 -18.484 0.378 18.055 1.00 24.61 C ATOM 521 O GLN A 57 -19.364 1.013 17.510 1.00 26.01 O ATOM 522 CB GLN A 57 -17.684 -1.066 16.103 1.00 20.33 C ATOM 523 CG GLN A 57 -16.683 -1.036 14.995 1.00 18.96 C ATOM 524 CD GLN A 57 -16.980 -2.048 13.911 1.00 18.80 C ATOM 525 OE1 GLN A 57 -18.132 -2.417 13.665 1.00 18.79 O ATOM 526 NE2 GLN A 57 -15.904 -2.534 13.251 1.00 18.24 N ATOM 527 HE22 GLN A 57 -14.950 -2.195 13.490 1.00 0.00 H ATOM 528 HE21 GLN A 57 -16.030 -3.247 12.504 1.00 0.00 H ATOM 529 H GLN A 57 -16.525 -1.834 18.359 1.00 0.00 H ATOM 530 N ASP A 58 -18.569 0.045 19.316 1.00 27.37 N ATOM 531 CA ASP A 58 -19.726 0.364 20.128 1.00 32.03 C ATOM 532 C ASP A 58 -19.310 1.545 20.995 1.00 33.72 C ATOM 533 O ASP A 58 -18.440 1.373 21.834 1.00 31.81 O ATOM 534 CB ASP A 58 -20.098 -0.828 20.969 1.00 33.82 C ATOM 535 CG ASP A 58 -21.107 -0.486 21.992 1.00 37.20 C ATOM 536 OD1 ASP A 58 -20.711 -0.351 23.148 1.00 41.31 O ATOM 537 OD2 ASP A 58 -22.293 -0.350 21.651 1.00 46.84 O ATOM 538 H ASP A 58 -17.777 -0.468 19.753 1.00 0.00 H ATOM 539 N PRO A 59 -19.895 2.747 20.780 1.00 39.10 N ATOM 540 CA PRO A 59 -19.403 3.993 21.493 1.00 39.83 C ATOM 541 C PRO A 59 -19.132 3.855 23.025 1.00 37.31 C ATOM 542 O PRO A 59 -18.058 4.240 23.557 1.00 38.41 O ATOM 543 CB PRO A 59 -20.556 4.972 21.250 1.00 41.18 C ATOM 544 CG PRO A 59 -21.254 4.454 20.007 1.00 39.35 C ATOM 545 CD PRO A 59 -21.258 2.976 20.225 1.00 39.95 C ATOM 546 N ILE A 60 -20.066 3.212 23.691 1.00 36.91 N ATOM 547 CA ILE A 60 -19.956 2.918 25.123 1.00 40.57 C ATOM 548 C ILE A 60 -18.860 1.905 25.539 1.00 36.00 C ATOM 549 O ILE A 60 -18.064 2.219 26.429 1.00 33.93 O ATOM 550 CB ILE A 60 -21.362 2.623 25.806 1.00 45.98 C ATOM 551 CG1 ILE A 60 -21.164 2.119 27.249 1.00 45.66 C ATOM 552 CG2 ILE A 60 -22.265 1.666 25.010 1.00 50.17 C ATOM 553 CD1 ILE A 60 -20.623 3.238 28.136 1.00 46.68 C ATOM 554 H ILE A 60 -20.917 2.899 23.181 1.00 0.00 H ATOM 555 N MET A 61 -18.833 0.718 24.927 1.00 31.88 N ATOM 556 CA MET A 61 -17.820 -0.276 25.260 1.00 31.15 C ATOM 557 C MET A 61 -16.460 0.251 24.889 1.00 29.06 C ATOM 558 O MET A 61 -15.502 0.045 25.682 1.00 26.92 O ATOM 559 CB MET A 61 -18.090 -1.648 24.633 1.00 32.59 C ATOM 560 CG MET A 61 -19.130 -2.524 25.329 1.00 34.71 C ATOM 561 SD MET A 61 -18.805 -2.882 27.089 1.00 37.07 S ATOM 562 CE MET A 61 -17.170 -3.540 27.082 1.00 34.23 C ATOM 563 H MET A 61 -19.546 0.500 24.202 1.00 0.00 H ATOM 564 N ALA A 62 -16.344 0.962 23.747 1.00 26.95 N ATOM 565 CA ALA A 62 -15.052 1.558 23.388 1.00 27.22 C ATOM 566 C ALA A 62 -14.549 2.531 24.474 1.00 30.42 C ATOM 567 O ALA A 62 -13.348 2.529 24.805 1.00 30.16 O ATOM 568 CB ALA A 62 -15.065 2.268 22.021 1.00 25.70 C ATOM 569 H ALA A 62 -17.167 1.087 23.124 1.00 0.00 H ATOM 570 N GLU A 63 -15.482 3.339 24.994 1.00 33.10 N ATOM 571 CA GLU A 63 -15.204 4.272 26.129 1.00 36.26 C ATOM 572 C GLU A 63 -14.828 3.536 27.383 1.00 33.16 C ATOM 573 O GLU A 63 -13.776 3.829 27.949 1.00 32.13 O ATOM 574 CB GLU A 63 -16.392 5.203 26.439 1.00 41.64 C ATOM 575 CG GLU A 63 -16.169 6.586 25.916 1.00 46.76 C ATOM 576 CD GLU A 63 -14.937 7.260 26.564 1.00 55.36 C ATOM 577 OE1 GLU A 63 -14.776 7.245 27.821 1.00 62.54 O ATOM 578 OE2 GLU A 63 -14.097 7.812 25.822 1.00 61.50 O ATOM 579 H GLU A 63 -16.441 3.317 24.591 1.00 0.00 H ATOM 580 N LYS A 64 -15.631 2.547 27.785 1.00 29.11 N ATOM 581 CA LYS A 64 -15.269 1.720 28.913 1.00 28.98 C ATOM 582 C LYS A 64 -13.874 1.096 28.854 1.00 29.82 C ATOM 583 O LYS A 64 -13.126 1.148 29.855 1.00 30.15 O ATOM 584 CB LYS A 64 -16.239 0.590 29.175 1.00 29.71 C ATOM 585 CG LYS A 64 -17.330 0.932 30.126 1.00 32.41 C ATOM 586 CD LYS A 64 -18.256 -0.247 30.352 1.00 33.10 C ATOM 587 CE LYS A 64 -19.606 0.266 30.821 1.00 35.26 C ATOM 588 NZ LYS A 64 -20.404 -0.925 31.278 1.00 40.21 N ATOM 589 HZ1 LYS A 64 -20.520 -1.588 30.485 1.00 0.00 H ATOM 590 HZ2 LYS A 64 -19.903 -1.399 32.056 1.00 0.00 H ATOM 591 HZ3 LYS A 64 -21.338 -0.609 31.607 1.00 0.00 H ATOM 592 H LYS A 64 -16.524 2.371 27.282 1.00 0.00 H ATOM 593 N LEU A 65 -13.562 0.454 27.720 1.00 28.84 N ATOM 594 CA LEU A 65 -12.350 -0.302 27.575 1.00 27.52 C ATOM 595 C LEU A 65 -11.219 0.583 27.061 1.00 26.44 C ATOM 596 O LEU A 65 -10.106 0.121 27.000 1.00 27.82 O ATOM 597 CB LEU A 65 -12.579 -1.497 26.642 1.00 27.93 C ATOM 598 CG LEU A 65 -13.599 -2.563 27.090 1.00 30.55 C ATOM 599 CD1 LEU A 65 -13.879 -3.560 25.983 1.00 32.75 C ATOM 600 CD2 LEU A 65 -13.195 -3.313 28.330 1.00 32.50 C ATOM 601 H LEU A 65 -14.221 0.505 26.917 1.00 0.00 H ATOM 602 N GLY A 66 -11.441 1.837 26.731 1.00 26.50 N ATOM 603 CA GLY A 66 -10.302 2.660 26.194 1.00 26.51 C ATOM 604 C GLY A 66 -9.856 2.350 24.754 1.00 26.39 C ATOM 605 O GLY A 66 -8.690 2.433 24.414 1.00 26.28 O ATOM 606 H GLY A 66 -12.388 2.252 26.840 1.00 0.00 H ATOM 607 N LEU A 67 -10.791 2.028 23.893 1.00 27.20 N ATOM 608 CA LEU A 67 -10.476 1.483 22.524 1.00 27.70 C ATOM 609 C LEU A 67 -10.820 2.563 21.525 1.00 27.70 C ATOM 610 O LEU A 67 -11.787 3.281 21.753 1.00 30.71 O ATOM 611 CB LEU A 67 -11.465 0.339 22.243 1.00 28.18 C ATOM 612 CG LEU A 67 -11.242 -1.091 22.645 1.00 29.70 C ATOM 613 CD1 LEU A 67 -10.197 -1.293 23.699 1.00 30.96 C ATOM 614 CD2 LEU A 67 -12.504 -1.924 22.886 1.00 30.63 C ATOM 615 H LEU A 67 -11.787 2.153 24.165 1.00 0.00 H ATOM 616 N ARG A 68 -10.150 2.628 20.391 1.00 29.10 N ATOM 617 CA ARG A 68 -10.706 3.331 19.221 1.00 31.10 C ATOM 618 C ARG A 68 -11.296 2.387 18.191 1.00 29.81 C ATOM 619 O ARG A 68 -10.950 1.206 18.152 1.00 30.79 O ATOM 620 CB ARG A 68 -9.636 4.206 18.559 1.00 34.90 C ATOM 621 H ARG A 68 -9.216 2.177 20.321 1.00 0.00 H ATOM 622 N GLY A 69 -12.199 2.931 17.367 1.00 30.03 N ATOM 623 CA GLY A 69 -12.897 2.208 16.284 1.00 28.81 C ATOM 624 C GLY A 69 -11.902 1.519 15.386 1.00 27.51 C ATOM 625 O GLY A 69 -10.773 1.981 15.258 1.00 28.52 O ATOM 626 H GLY A 69 -12.426 3.937 17.499 1.00 0.00 H ATOM 627 N GLY A 70 -12.241 0.341 14.868 1.00 23.86 N ATOM 628 CA GLY A 70 -11.284 -0.432 14.045 1.00 20.20 C ATOM 629 C GLY A 70 -12.087 -1.468 13.314 1.00 18.45 C ATOM 630 O GLY A 70 -13.225 -1.784 13.748 1.00 20.76 O ATOM 631 H GLY A 70 -13.192 -0.042 15.044 1.00 0.00 H ATOM 632 N VAL A 71 -11.560 -1.963 12.210 1.00 14.99 N ATOM 633 CA VAL A 71 -12.278 -2.935 11.376 1.00 15.02 C ATOM 634 C VAL A 71 -11.566 -4.294 11.120 1.00 14.35 C ATOM 635 O VAL A 71 -12.074 -5.127 10.350 1.00 14.55 O ATOM 636 CB VAL A 71 -12.664 -2.273 9.971 1.00 14.26 C ATOM 637 CG1 VAL A 71 -13.667 -1.108 10.199 1.00 14.13 C ATOM 638 CG2 VAL A 71 -11.416 -1.793 9.280 1.00 14.19 C ATOM 639 H VAL A 71 -10.609 -1.656 11.922 1.00 0.00 H ATOM 640 N GLY A 72 -10.356 -4.440 11.625 1.00 13.69 N ATOM 641 CA GLY A 72 -9.526 -5.598 11.329 1.00 13.81 C ATOM 642 C GLY A 72 -8.563 -5.840 12.477 1.00 13.95 C ATOM 643 O GLY A 72 -8.145 -4.943 13.157 1.00 15.04 O ATOM 644 H GLY A 72 -9.983 -3.702 12.256 1.00 0.00 H ATOM 645 N LEU A 73 -8.211 -7.063 12.706 1.00 14.33 N ATOM 646 CA LEU A 73 -7.241 -7.390 13.707 1.00 14.36 C ATOM 647 C LEU A 73 -6.602 -8.704 13.276 1.00 13.87 C ATOM 648 O LEU A 73 -7.292 -9.671 12.849 1.00 13.14 O ATOM 649 CB LEU A 73 -7.904 -7.580 15.083 1.00 14.86 C ATOM 650 CG LEU A 73 -6.940 -7.906 16.254 1.00 15.95 C ATOM 651 CD1 LEU A 73 -6.125 -6.653 16.510 1.00 16.87 C ATOM 652 CD2 LEU A 73 -7.657 -8.252 17.526 1.00 17.09 C ATOM 653 H LEU A 73 -8.643 -7.828 12.149 1.00 0.00 H ATOM 654 N ALA A 74 -5.310 -8.814 13.521 1.00 13.23 N ATOM 655 CA ALA A 74 -4.606 -10.075 13.232 1.00 13.24 C ATOM 656 C ALA A 74 -3.927 -10.613 14.480 1.00 13.41 C ATOM 657 O ALA A 74 -3.433 -9.850 15.264 1.00 14.93 O ATOM 658 CB ALA A 74 -3.611 -9.789 12.179 1.00 12.86 C ATOM 659 H ALA A 74 -4.787 -8.008 13.919 1.00 0.00 H ATOM 660 N ALA A 75 -3.805 -11.921 14.591 1.00 13.88 N ATOM 661 CA ALA A 75 -3.242 -12.557 15.788 1.00 14.32 C ATOM 662 C ALA A 75 -1.825 -12.136 16.102 1.00 13.63 C ATOM 663 O ALA A 75 -1.528 -11.982 17.272 1.00 12.52 O ATOM 664 CB ALA A 75 -3.380 -14.059 15.765 1.00 14.84 C ATOM 665 H ALA A 75 -4.119 -12.523 13.803 1.00 0.00 H ATOM 666 N PRO A 76 -0.990 -11.886 15.076 1.00 13.76 N ATOM 667 CA PRO A 76 0.371 -11.374 15.398 1.00 13.76 C ATOM 668 C PRO A 76 0.376 -10.121 16.234 1.00 14.70 C ATOM 669 O PRO A 76 1.274 -9.924 17.004 1.00 15.02 O ATOM 670 CB PRO A 76 1.018 -11.175 14.011 1.00 13.96 C ATOM 671 CG PRO A 76 0.365 -12.255 13.150 1.00 13.58 C ATOM 672 CD PRO A 76 -1.048 -12.400 13.684 1.00 13.92 C ATOM 673 N GLN A 77 -0.659 -9.297 16.155 1.00 14.35 N ATOM 674 CA GLN A 77 -0.708 -8.036 16.893 1.00 13.95 C ATOM 675 C GLN A 77 -0.936 -8.258 18.365 1.00 14.53 C ATOM 676 O GLN A 77 -0.734 -7.345 19.172 1.00 14.07 O ATOM 677 CB GLN A 77 -1.863 -7.200 16.350 1.00 13.73 C ATOM 678 CG GLN A 77 -1.581 -6.603 15.004 1.00 13.88 C ATOM 679 CD GLN A 77 -2.736 -5.742 14.437 1.00 14.73 C ATOM 680 OE1 GLN A 77 -3.737 -6.259 13.905 1.00 15.22 O ATOM 681 NE2 GLN A 77 -2.564 -4.432 14.487 1.00 14.61 N ATOM 682 HE22 GLN A 77 -1.715 -4.036 14.939 1.00 0.00 H ATOM 683 HE21 GLN A 77 -3.277 -3.798 14.074 1.00 0.00 H ATOM 684 H GLN A 77 -1.463 -9.556 15.548 1.00 0.00 H ATOM 685 N LEU A 78 -1.434 -9.438 18.701 1.00 14.16 N ATOM 686 CA LEU A 78 -1.583 -9.925 20.063 1.00 14.65 C ATOM 687 C LEU A 78 -0.445 -10.800 20.536 1.00 15.15 C ATOM 688 O LEU A 78 -0.561 -11.449 21.569 1.00 14.70 O ATOM 689 CB LEU A 78 -2.869 -10.706 20.158 1.00 14.78 C ATOM 690 CG LEU A 78 -4.126 -9.942 19.728 1.00 14.80 C ATOM 691 CD1 LEU A 78 -5.242 -10.968 19.676 1.00 15.26 C ATOM 692 CD2 LEU A 78 -4.462 -8.965 20.791 1.00 15.53 C ATOM 693 H LEU A 78 -1.743 -10.065 17.931 1.00 0.00 H ATOM 694 N ASP A 79 0.666 -10.789 19.799 1.00 17.04 N ATOM 695 CA ASP A 79 1.842 -11.599 20.104 1.00 17.50 C ATOM 696 C ASP A 79 1.619 -13.094 19.841 1.00 16.88 C ATOM 697 O ASP A 79 2.305 -13.904 20.406 1.00 16.48 O ATOM 698 CB ASP A 79 2.348 -11.372 21.578 1.00 19.72 C ATOM 699 CG ASP A 79 3.910 -11.467 21.674 1.00 23.04 C ATOM 700 OD1 ASP A 79 4.415 -11.840 22.765 1.00 26.17 O ATOM 701 OD2 ASP A 79 4.652 -11.298 20.607 1.00 25.45 O ATOM 702 H ASP A 79 0.697 -10.171 18.963 1.00 0.00 H ATOM 703 N ILE A 80 0.717 -13.476 18.931 1.00 17.21 N ATOM 704 CA ILE A 80 0.433 -14.888 18.635 1.00 16.82 C ATOM 705 C ILE A 80 0.739 -15.114 17.181 1.00 15.78 C ATOM 706 O ILE A 80 0.045 -14.548 16.300 1.00 15.32 O ATOM 707 CB ILE A 80 -1.058 -15.216 18.900 1.00 17.65 C ATOM 708 CG1 ILE A 80 -1.517 -14.893 20.313 1.00 18.62 C ATOM 709 CG2 ILE A 80 -1.373 -16.663 18.584 1.00 18.98 C ATOM 710 CD1 ILE A 80 -0.824 -15.688 21.350 1.00 20.54 C ATOM 711 H ILE A 80 0.194 -12.743 18.410 1.00 0.00 H ATOM 712 N SER A 81 1.766 -15.908 16.885 1.00 14.60 N ATOM 713 CA SER A 81 2.245 -16.048 15.519 1.00 14.69 C ATOM 714 C SER A 81 1.498 -17.164 14.765 1.00 13.84 C ATOM 715 O SER A 81 2.115 -18.167 14.357 1.00 15.78 O ATOM 716 CB SER A 81 3.769 -16.243 15.477 1.00 15.70 C ATOM 717 OG SER A 81 4.326 -15.932 14.179 1.00 14.63 O ATOM 718 HG SER A 81 4.131 -14.988 13.955 1.00 0.00 H ATOM 719 H SER A 81 2.235 -16.439 17.646 1.00 0.00 H ATOM 720 N LYS A 82 0.217 -16.932 14.505 1.00 13.44 N ATOM 721 CA LYS A 82 -0.723 -17.849 13.857 1.00 13.75 C ATOM 722 C LYS A 82 -1.489 -17.064 12.788 1.00 13.35 C ATOM 723 O LYS A 82 -1.694 -15.860 12.925 1.00 12.15 O ATOM 724 CB LYS A 82 -1.692 -18.488 14.838 1.00 15.82 C ATOM 725 CG LYS A 82 -0.962 -19.513 15.654 1.00 19.60 C ATOM 726 CD LYS A 82 -1.822 -20.266 16.650 1.00 25.55 C ATOM 727 CE LYS A 82 -0.988 -21.330 17.454 1.00 28.48 C ATOM 728 NZ LYS A 82 -1.859 -22.436 17.848 1.00 31.59 N ATOM 729 HZ1 LYS A 82 -2.628 -22.074 18.447 1.00 0.00 H ATOM 730 HZ2 LYS A 82 -2.260 -22.880 16.997 1.00 0.00 H ATOM 731 HZ3 LYS A 82 -1.306 -23.139 18.379 1.00 0.00 H ATOM 732 H LYS A 82 -0.157 -16.005 14.791 1.00 0.00 H ATOM 733 N ARG A 83 -1.869 -17.781 11.720 1.00 13.25 N ATOM 734 CA ARG A 83 -2.552 -17.242 10.540 1.00 13.29 C ATOM 735 C ARG A 83 -4.078 -17.126 10.833 1.00 12.89 C ATOM 736 O ARG A 83 -4.943 -17.902 10.320 1.00 12.01 O ATOM 737 CB ARG A 83 -2.187 -18.073 9.284 1.00 13.92 C ATOM 738 CG ARG A 83 -0.706 -18.100 8.971 1.00 14.01 C ATOM 739 CD ARG A 83 -0.367 -18.908 7.684 1.00 14.69 C ATOM 740 NE ARG A 83 -0.525 -18.056 6.522 1.00 15.89 N ATOM 741 CZ ARG A 83 0.254 -17.020 6.200 1.00 17.20 C ATOM 742 NH1 ARG A 83 1.343 -16.761 6.857 1.00 18.21 N ATOM 743 NH2 ARG A 83 -0.046 -16.257 5.192 1.00 18.47 N ATOM 744 HE ARG A 83 -1.316 -18.271 5.882 1.00 0.00 H ATOM 745 HH12 ARG A 83 1.933 -15.948 6.587 1.00 0.00 H ATOM 746 HH11 ARG A 83 1.626 -17.366 7.654 1.00 0.00 H ATOM 747 HH22 ARG A 83 0.566 -15.452 4.948 1.00 0.00 H ATOM 748 HH21 ARG A 83 -0.898 -16.451 4.629 1.00 0.00 H ATOM 749 H ARG A 83 -1.663 -18.800 11.730 1.00 0.00 H ATOM 750 N ILE A 84 -4.408 -16.165 11.713 1.00 12.47 N ATOM 751 CA ILE A 84 -5.831 -15.947 12.102 1.00 13.06 C ATOM 752 C ILE A 84 -6.019 -14.445 12.027 1.00 12.93 C ATOM 753 O ILE A 84 -5.205 -13.647 12.603 1.00 12.44 O ATOM 754 CB ILE A 84 -6.096 -16.415 13.570 1.00 14.20 C ATOM 755 CG1 ILE A 84 -5.542 -17.812 13.810 1.00 14.88 C ATOM 756 CG2 ILE A 84 -7.572 -16.340 13.986 1.00 14.66 C ATOM 757 CD1 ILE A 84 -5.511 -18.131 15.309 1.00 16.05 C ATOM 758 H ILE A 84 -3.664 -15.568 12.127 1.00 0.00 H ATOM 759 N ILE A 85 -7.079 -14.044 11.364 1.00 12.85 N ATOM 760 CA ILE A 85 -7.490 -12.613 11.305 1.00 12.92 C ATOM 761 C ILE A 85 -8.952 -12.451 11.512 1.00 12.71 C ATOM 762 O ILE A 85 -9.759 -13.432 11.264 1.00 13.62 O ATOM 763 CB ILE A 85 -7.107 -11.941 9.954 1.00 13.35 C ATOM 764 CG1 ILE A 85 -7.934 -12.484 8.789 1.00 14.52 C ATOM 765 CG2 ILE A 85 -5.581 -12.130 9.670 1.00 13.88 C ATOM 766 CD1 ILE A 85 -7.730 -11.806 7.432 1.00 15.28 C ATOM 767 H ILE A 85 -7.653 -14.751 10.862 1.00 0.00 H ATOM 768 N ALA A 86 -9.353 -11.276 11.945 1.00 12.01 N ATOM 769 CA ALA A 86 -10.781 -10.985 12.036 1.00 13.33 C ATOM 770 C ALA A 86 -11.055 -9.660 11.321 1.00 13.73 C ATOM 771 O ALA A 86 -10.234 -8.672 11.478 1.00 13.84 O ATOM 772 CB ALA A 86 -11.248 -10.911 13.512 1.00 13.35 C ATOM 773 H ALA A 86 -8.655 -10.556 12.222 1.00 0.00 H ATOM 774 N VAL A 87 -12.195 -9.612 10.599 1.00 14.58 N ATOM 775 CA VAL A 87 -12.624 -8.391 9.917 1.00 14.97 C ATOM 776 C VAL A 87 -14.070 -8.077 10.153 1.00 14.43 C ATOM 777 O VAL A 87 -14.936 -8.978 10.178 1.00 14.92 O ATOM 778 CB VAL A 87 -12.271 -8.415 8.415 1.00 16.41 C ATOM 779 CG1 VAL A 87 -10.738 -8.452 8.229 1.00 16.89 C ATOM 780 CG2 VAL A 87 -12.804 -9.660 7.758 1.00 17.81 C ATOM 781 H VAL A 87 -12.784 -10.466 10.526 1.00 0.00 H ATOM 782 N LEU A 88 -14.344 -6.803 10.327 1.00 13.83 N ATOM 783 CA LEU A 88 -15.675 -6.356 10.654 1.00 14.52 C ATOM 784 C LEU A 88 -15.909 -4.987 10.085 1.00 15.58 C ATOM 785 O LEU A 88 -15.473 -4.032 10.627 1.00 14.40 O ATOM 786 CB LEU A 88 -15.901 -6.348 12.176 1.00 14.96 C ATOM 787 CG LEU A 88 -17.347 -6.020 12.642 1.00 14.41 C ATOM 788 CD1 LEU A 88 -18.234 -7.163 12.205 1.00 15.52 C ATOM 789 CD2 LEU A 88 -17.364 -5.948 14.152 1.00 14.83 C ATOM 790 H LEU A 88 -13.583 -6.101 10.226 1.00 0.00 H ATOM 791 N VAL A 89 -16.608 -4.923 8.971 1.00 15.98 N ATOM 792 CA VAL A 89 -16.745 -3.702 8.268 1.00 18.50 C ATOM 793 C VAL A 89 -18.248 -3.318 8.255 1.00 18.37 C ATOM 794 O VAL A 89 -19.026 -3.981 7.590 1.00 16.73 O ATOM 795 CB VAL A 89 -16.258 -3.778 6.800 1.00 19.07 C ATOM 796 CG1 VAL A 89 -16.375 -2.409 6.149 1.00 21.01 C ATOM 797 CG2 VAL A 89 -14.820 -4.204 6.734 1.00 20.59 C ATOM 798 H VAL A 89 -17.066 -5.781 8.603 1.00 0.00 H ATOM 799 N PRO A 90 -18.617 -2.265 8.989 1.00 18.00 N ATOM 800 CA PRO A 90 -20.006 -1.918 9.107 1.00 19.11 C ATOM 801 C PRO A 90 -20.471 -1.123 7.902 1.00 19.97 C ATOM 802 O PRO A 90 -19.689 -0.424 7.275 1.00 19.38 O ATOM 803 CB PRO A 90 -20.040 -1.050 10.350 1.00 20.15 C ATOM 804 CG PRO A 90 -18.717 -0.347 10.324 1.00 20.57 C ATOM 805 CD PRO A 90 -17.783 -1.451 9.893 1.00 19.32 C ATOM 806 N ASN A 91 -21.724 -1.319 7.522 1.00 21.01 N ATOM 807 CA ASN A 91 -22.425 -0.428 6.565 1.00 23.14 C ATOM 808 C ASN A 91 -22.876 0.835 7.367 1.00 24.76 C ATOM 809 O ASN A 91 -23.015 0.795 8.579 1.00 26.24 O ATOM 810 CB ASN A 91 -23.671 -1.139 5.976 1.00 21.77 C ATOM 811 CG ASN A 91 -23.332 -2.190 4.951 1.00 22.78 C ATOM 812 OD1 ASN A 91 -23.965 -3.274 4.852 1.00 21.77 O ATOM 813 ND2 ASN A 91 -22.370 -1.877 4.157 1.00 21.27 N ATOM 814 HD22 ASN A 91 -21.873 -0.971 4.274 1.00 0.00 H ATOM 815 HD21 ASN A 91 -22.089 -2.530 3.398 1.00 0.00 H ATOM 816 H ASN A 91 -22.240 -2.134 7.912 1.00 0.00 H ATOM 817 N VAL A 92 -23.255 1.876 6.683 1.00 25.65 N ATOM 818 CA VAL A 92 -23.578 3.096 7.318 1.00 28.39 C ATOM 819 C VAL A 92 -25.074 3.456 7.196 1.00 28.39 C ATOM 820 O VAL A 92 -25.724 2.989 6.265 1.00 27.76 O ATOM 821 CB VAL A 92 -22.616 4.096 6.673 1.00 32.97 C ATOM 822 CG1 VAL A 92 -23.283 4.927 5.601 1.00 33.18 C ATOM 823 CG2 VAL A 92 -21.891 4.865 7.754 1.00 36.82 C ATOM 824 H VAL A 92 -23.321 1.808 5.647 1.00 0.00 H ATOM 825 N GLU A 93 -25.613 4.158 8.194 1.00 25.48 N ATOM 826 CA GLU A 93 -26.941 4.778 8.156 1.00 28.76 C ATOM 827 C GLU A 93 -27.168 5.691 6.923 1.00 27.20 C ATOM 828 O GLU A 93 -26.241 6.279 6.402 1.00 25.15 O ATOM 829 CB GLU A 93 -27.206 5.576 9.419 1.00 31.28 C ATOM 830 CG GLU A 93 -27.345 4.738 10.684 1.00 35.93 C ATOM 831 CD GLU A 93 -27.896 5.517 11.899 1.00 41.17 C ATOM 832 OE1 GLU A 93 -27.817 6.761 11.879 1.00 38.42 O ATOM 833 OE2 GLU A 93 -28.421 4.866 12.875 1.00 47.74 O ATOM 834 H GLU A 93 -25.051 4.274 9.061 1.00 0.00 H ATOM 835 N ASP A 94 -28.395 5.758 6.422 1.00 25.23 N ATOM 836 CA ASP A 94 -28.659 6.704 5.360 1.00 23.94 C ATOM 837 C ASP A 94 -28.785 8.131 5.963 1.00 23.83 C ATOM 838 O ASP A 94 -28.728 8.333 7.163 1.00 23.07 O ATOM 839 CB ASP A 94 -29.879 6.270 4.512 1.00 23.06 C ATOM 840 CG ASP A 94 -31.186 6.315 5.282 1.00 22.92 C ATOM 841 OD1 ASP A 94 -31.302 6.966 6.307 1.00 20.17 O ATOM 842 OD2 ASP A 94 -32.114 5.572 4.878 1.00 25.36 O ATOM 843 H ASP A 94 -29.151 5.143 6.785 1.00 0.00 H ATOM 844 N ALA A 95 -29.016 9.121 5.118 1.00 24.92 N ATOM 845 CA ALA A 95 -29.186 10.470 5.563 1.00 26.21 C ATOM 846 C ALA A 95 -30.415 10.736 6.387 1.00 27.02 C ATOM 847 O ALA A 95 -30.434 11.684 7.088 1.00 27.65 O ATOM 848 CB ALA A 95 -29.104 11.438 4.379 1.00 27.27 C ATOM 849 H ALA A 95 -29.076 8.913 4.101 1.00 0.00 H ATOM 850 N GLN A 96 -31.420 9.891 6.388 1.00 26.88 N ATOM 851 CA GLN A 96 -32.514 10.062 7.318 1.00 27.03 C ATOM 852 C GLN A 96 -32.252 9.387 8.680 1.00 25.33 C ATOM 853 O GLN A 96 -33.106 9.407 9.557 1.00 23.43 O ATOM 854 CB GLN A 96 -33.819 9.478 6.694 1.00 29.44 C ATOM 855 CG GLN A 96 -34.283 10.164 5.377 1.00 32.05 C ATOM 856 CD GLN A 96 -33.265 10.175 4.191 1.00 34.23 C ATOM 857 OE1 GLN A 96 -32.600 9.141 3.810 1.00 35.14 O ATOM 858 NE2 GLN A 96 -33.142 11.376 3.566 1.00 36.55 N ATOM 859 HE22 GLN A 96 -33.693 12.193 3.897 1.00 0.00 H ATOM 860 HE21 GLN A 96 -32.497 11.477 2.757 1.00 0.00 H ATOM 861 H GLN A 96 -31.429 9.096 5.718 1.00 0.00 H ATOM 862 N GLY A 97 -31.135 8.721 8.854 1.00 24.40 N ATOM 863 CA GLY A 97 -30.907 7.955 10.120 1.00 24.40 C ATOM 864 C GLY A 97 -31.437 6.517 10.103 1.00 23.78 C ATOM 865 O GLY A 97 -31.476 5.846 11.148 1.00 25.35 O ATOM 866 H GLY A 97 -30.407 8.725 8.111 1.00 0.00 H ATOM 867 N ASN A 98 -31.861 5.988 8.956 1.00 21.37 N ATOM 868 CA ASN A 98 -32.308 4.630 8.982 1.00 19.80 C ATOM 869 C ASN A 98 -31.084 3.711 9.001 1.00 19.26 C ATOM 870 O ASN A 98 -30.202 3.871 8.170 1.00 19.77 O ATOM 871 CB ASN A 98 -33.120 4.323 7.754 1.00 19.94 C ATOM 872 CG ASN A 98 -34.333 5.221 7.632 1.00 19.19 C ATOM 873 OD1 ASN A 98 -35.151 5.299 8.558 1.00 18.82 O ATOM 874 ND2 ASN A 98 -34.496 5.811 6.484 1.00 18.11 N ATOM 875 HD22 ASN A 98 -33.775 5.711 5.741 1.00 0.00 H ATOM 876 HD21 ASN A 98 -35.347 6.383 6.309 1.00 0.00 H ATOM 877 H ASN A 98 -31.867 6.542 8.076 1.00 0.00 H ATOM 878 N PRO A 99 -31.078 2.688 9.855 1.00 18.78 N ATOM 879 CA PRO A 99 -30.084 1.635 9.734 1.00 20.14 C ATOM 880 C PRO A 99 -29.983 0.997 8.336 1.00 19.85 C ATOM 881 O PRO A 99 -30.972 0.996 7.615 1.00 19.51 O ATOM 882 CB PRO A 99 -30.593 0.541 10.749 1.00 21.16 C ATOM 883 CG PRO A 99 -31.375 1.323 11.753 1.00 21.91 C ATOM 884 CD PRO A 99 -32.132 2.334 10.817 1.00 20.51 C ATOM 885 N PRO A 100 -28.805 0.418 7.965 1.00 20.10 N ATOM 886 CA PRO A 100 -28.676 -0.249 6.662 1.00 20.02 C ATOM 887 C PRO A 100 -29.391 -1.597 6.702 1.00 21.57 C ATOM 888 O PRO A 100 -29.563 -2.147 7.794 1.00 23.79 O ATOM 889 CB PRO A 100 -27.145 -0.458 6.498 1.00 19.90 C ATOM 890 CG PRO A 100 -26.623 -0.386 7.957 1.00 20.19 C ATOM 891 CD PRO A 100 -27.515 0.502 8.711 1.00 20.01 C ATOM 892 N LYS A 101 -29.763 -2.125 5.531 1.00 22.24 N ATOM 893 CA LYS A 101 -30.376 -3.454 5.374 1.00 23.89 C ATOM 894 C LYS A 101 -29.525 -4.545 6.029 1.00 22.20 C ATOM 895 O LYS A 101 -30.054 -5.380 6.762 1.00 23.50 O ATOM 896 CB LYS A 101 -30.487 -3.865 3.915 1.00 28.01 C ATOM 897 CG LYS A 101 -31.105 -2.916 2.940 1.00 33.40 C ATOM 898 CD LYS A 101 -31.268 -3.543 1.534 1.00 38.02 C ATOM 899 CE LYS A 101 -31.088 -2.530 0.390 1.00 43.33 C ATOM 900 NZ LYS A 101 -31.440 -1.084 0.683 1.00 46.61 N ATOM 901 HZ1 LYS A 101 -32.442 -1.021 0.956 1.00 0.00 H ATOM 902 HZ2 LYS A 101 -30.845 -0.734 1.461 1.00 0.00 H ATOM 903 HZ3 LYS A 101 -31.274 -0.509 -0.168 1.00 0.00 H ATOM 904 H LYS A 101 -29.609 -1.558 4.673 1.00 0.00 H ATOM 905 N GLU A 102 -28.223 -4.517 5.725 1.00 21.39 N ATOM 906 CA GLU A 102 -27.180 -5.387 6.315 1.00 20.98 C ATOM 907 C GLU A 102 -26.294 -4.564 7.291 1.00 19.20 C ATOM 908 O GLU A 102 -25.705 -3.571 6.894 1.00 17.64 O ATOM 909 CB GLU A 102 -26.205 -5.829 5.206 1.00 23.50 C ATOM 910 CG GLU A 102 -26.716 -6.552 3.963 1.00 27.76 C ATOM 911 CD GLU A 102 -27.137 -7.924 4.326 1.00 29.96 C ATOM 912 OE1 GLU A 102 -27.518 -8.760 3.462 1.00 30.49 O ATOM 913 OE2 GLU A 102 -27.017 -8.134 5.572 1.00 34.88 O ATOM 914 H GLU A 102 -27.916 -3.824 5.013 1.00 0.00 H ATOM 915 N ALA A 103 -26.179 -4.996 8.537 1.00 18.58 N ATOM 916 CA ALA A 103 -25.336 -4.320 9.497 1.00 17.63 C ATOM 917 C ALA A 103 -23.865 -4.220 9.001 1.00 17.10 C ATOM 918 O ALA A 103 -23.182 -3.183 9.206 1.00 15.97 O ATOM 919 CB ALA A 103 -25.459 -4.950 10.886 1.00 16.53 C ATOM 920 H ALA A 103 -26.708 -5.842 8.832 1.00 0.00 H ATOM 921 N TYR A 104 -23.376 -5.255 8.330 1.00 17.32 N ATOM 922 CA TYR A 104 -21.950 -5.366 7.991 1.00 17.08 C ATOM 923 C TYR A 104 -21.756 -5.711 6.510 1.00 17.48 C ATOM 924 O TYR A 104 -22.524 -6.518 5.993 1.00 17.33 O ATOM 925 CB TYR A 104 -21.316 -6.459 8.899 1.00 16.50 C ATOM 926 CG TYR A 104 -21.334 -6.084 10.336 1.00 17.23 C ATOM 927 CD1 TYR A 104 -20.508 -5.053 10.851 1.00 16.95 C ATOM 928 CD2 TYR A 104 -22.209 -6.730 11.228 1.00 18.85 C ATOM 929 CE1 TYR A 104 -20.583 -4.665 12.172 1.00 16.92 C ATOM 930 CE2 TYR A 104 -22.272 -6.356 12.576 1.00 18.41 C ATOM 931 CZ TYR A 104 -21.435 -5.340 13.004 1.00 18.66 C ATOM 932 OH TYR A 104 -21.572 -5.035 14.312 1.00 21.13 O ATOM 933 HH TYR A 104 -20.946 -4.305 14.547 1.00 0.00 H ATOM 934 H TYR A 104 -24.023 -6.013 8.034 1.00 0.00 H ATOM 935 N SER A 105 -20.841 -5.080 5.787 1.00 17.49 N ATOM 936 CA SER A 105 -20.546 -5.539 4.410 1.00 18.47 C ATOM 937 C SER A 105 -19.555 -6.702 4.500 1.00 18.56 C ATOM 938 O SER A 105 -19.396 -7.460 3.553 1.00 17.92 O ATOM 939 CB SER A 105 -19.904 -4.498 3.513 1.00 19.27 C ATOM 940 OG SER A 105 -18.722 -4.051 4.120 1.00 21.99 O ATOM 941 HG SER A 105 -18.293 -3.370 3.543 1.00 0.00 H ATOM 942 H SER A 105 -20.332 -4.265 6.186 1.00 0.00 H ATOM 943 N LEU A 106 -18.873 -6.852 5.609 1.00 16.81 N ATOM 944 CA LEU A 106 -17.985 -8.018 5.789 1.00 17.79 C ATOM 945 C LEU A 106 -17.807 -8.326 7.275 1.00 16.14 C ATOM 946 O LEU A 106 -17.530 -7.435 8.019 1.00 15.35 O ATOM 947 CB LEU A 106 -16.598 -7.698 5.104 1.00 20.62 C ATOM 948 CG LEU A 106 -15.519 -8.823 5.027 1.00 22.30 C ATOM 949 CD1 LEU A 106 -15.949 -9.947 4.140 1.00 24.74 C ATOM 950 CD2 LEU A 106 -14.211 -8.306 4.546 1.00 23.87 C ATOM 951 H LEU A 106 -18.958 -6.145 6.367 1.00 0.00 H ATOM 952 N GLN A 107 -18.016 -9.554 7.671 1.00 15.33 N ATOM 953 CA GLN A 107 -17.924 -10.014 9.019 1.00 16.54 C ATOM 954 C GLN A 107 -17.402 -11.482 9.018 1.00 16.96 C ATOM 955 O GLN A 107 -18.145 -12.374 8.713 1.00 16.62 O ATOM 956 CB GLN A 107 -19.280 -9.982 9.731 1.00 17.21 C ATOM 957 CG GLN A 107 -19.240 -10.603 11.115 1.00 19.10 C ATOM 958 CD GLN A 107 -20.516 -10.433 11.914 1.00 22.81 C ATOM 959 OE1 GLN A 107 -20.493 -10.464 13.123 1.00 28.21 O ATOM 960 NE2 GLN A 107 -21.622 -10.295 11.254 1.00 24.78 N ATOM 961 HE22 GLN A 107 -21.608 -10.272 10.214 1.00 0.00 H ATOM 962 HE21 GLN A 107 -22.524 -10.207 11.764 1.00 0.00 H ATOM 963 H GLN A 107 -18.270 -10.253 6.944 1.00 0.00 H ATOM 964 N GLU A 108 -16.144 -11.697 9.417 1.00 17.43 N ATOM 965 CA GLU A 108 -15.499 -13.000 9.431 1.00 17.16 C ATOM 966 C GLU A 108 -14.330 -13.094 10.316 1.00 15.62 C ATOM 967 O GLU A 108 -13.476 -12.148 10.386 1.00 14.80 O ATOM 968 CB GLU A 108 -14.967 -13.456 8.075 1.00 19.91 C ATOM 969 CG GLU A 108 -15.908 -13.409 6.919 1.00 25.75 C ATOM 970 CD GLU A 108 -16.945 -14.564 6.926 1.00 31.66 C ATOM 971 OE1 GLU A 108 -16.670 -15.653 7.564 1.00 33.69 O ATOM 972 OE2 GLU A 108 -18.044 -14.305 6.315 1.00 37.68 O ATOM 973 H GLU A 108 -15.590 -10.878 9.739 1.00 0.00 H ATOM 974 N VAL A 109 -14.176 -14.310 10.872 1.00 15.04 N ATOM 975 CA VAL A 109 -12.923 -14.751 11.458 1.00 15.07 C ATOM 976 C VAL A 109 -12.329 -15.780 10.448 1.00 14.89 C ATOM 977 O VAL A 109 -12.919 -16.798 10.202 1.00 14.17 O ATOM 978 CB VAL A 109 -13.149 -15.362 12.813 1.00 16.02 C ATOM 979 CG1 VAL A 109 -11.889 -15.952 13.372 1.00 16.69 C ATOM 980 CG2 VAL A 109 -13.676 -14.345 13.809 1.00 17.20 C ATOM 981 H VAL A 109 -14.988 -14.960 10.882 1.00 0.00 H ATOM 982 N MET A 110 -11.183 -15.465 9.857 1.00 14.46 N ATOM 983 CA MET A 110 -10.568 -16.259 8.794 1.00 14.28 C ATOM 984 C MET A 110 -9.297 -16.901 9.319 1.00 13.61 C ATOM 985 O MET A 110 -8.420 -16.192 9.812 1.00 12.30 O ATOM 986 CB MET A 110 -10.192 -15.375 7.616 1.00 15.33 C ATOM 987 CG MET A 110 -11.326 -14.539 7.045 1.00 17.20 C ATOM 988 SD MET A 110 -10.806 -13.480 5.587 1.00 19.16 S ATOM 989 CE MET A 110 -12.348 -12.789 4.960 1.00 19.18 C ATOM 990 H MET A 110 -10.693 -14.602 10.168 1.00 0.00 H ATOM 991 N TYR A 111 -9.199 -18.211 9.115 1.00 13.02 N ATOM 992 CA TYR A 111 -8.023 -19.028 9.339 1.00 13.10 C ATOM 993 C TYR A 111 -7.339 -19.322 8.024 1.00 14.02 C ATOM 994 O TYR A 111 -7.989 -19.641 6.996 1.00 14.42 O ATOM 995 CB TYR A 111 -8.389 -20.321 10.071 1.00 13.66 C ATOM 996 CG TYR A 111 -9.041 -20.068 11.445 1.00 13.28 C ATOM 997 CD1 TYR A 111 -8.289 -20.121 12.610 1.00 14.27 C ATOM 998 CD2 TYR A 111 -10.338 -19.692 11.573 1.00 13.88 C ATOM 999 CE1 TYR A 111 -8.821 -19.817 13.878 1.00 13.82 C ATOM 1000 CE2 TYR A 111 -10.898 -19.452 12.817 1.00 14.01 C ATOM 1001 CZ TYR A 111 -10.111 -19.471 13.990 1.00 14.34 C ATOM 1002 OH TYR A 111 -10.701 -19.217 15.266 1.00 14.56 O ATOM 1003 HH TYR A 111 -10.004 -19.271 15.967 1.00 0.00 H ATOM 1004 H TYR A 111 -10.048 -18.696 8.761 1.00 0.00 H ATOM 1005 N ASN A 112 -6.012 -19.250 8.047 1.00 13.45 N ATOM 1006 CA ASN A 112 -5.187 -19.457 6.875 1.00 13.94 C ATOM 1007 C ASN A 112 -5.645 -18.701 5.610 1.00 13.28 C ATOM 1008 O ASN A 112 -5.705 -19.307 4.550 1.00 11.83 O ATOM 1009 CB ASN A 112 -4.999 -20.949 6.605 1.00 13.94 C ATOM 1010 CG ASN A 112 -4.480 -21.670 7.816 1.00 15.15 C ATOM 1011 OD1 ASN A 112 -3.783 -21.122 8.675 1.00 13.77 O ATOM 1012 ND2 ASN A 112 -4.840 -22.914 7.903 1.00 16.43 N ATOM 1013 HD22 ASN A 112 -5.428 -23.339 7.158 1.00 0.00 H ATOM 1014 HD21 ASN A 112 -4.541 -23.486 8.718 1.00 0.00 H ATOM 1015 H ASN A 112 -5.544 -19.035 8.950 1.00 0.00 H ATOM 1016 N PRO A 113 -5.941 -17.411 5.744 1.00 13.80 N ATOM 1017 CA PRO A 113 -6.417 -16.687 4.500 1.00 14.16 C ATOM 1018 C PRO A 113 -5.258 -16.398 3.584 1.00 14.35 C ATOM 1019 O PRO A 113 -4.179 -16.203 4.066 1.00 13.88 O ATOM 1020 CB PRO A 113 -6.950 -15.378 5.058 1.00 13.66 C ATOM 1021 CG PRO A 113 -6.068 -15.108 6.278 1.00 14.41 C ATOM 1022 CD PRO A 113 -5.914 -16.466 6.926 1.00 14.31 C ATOM 1023 N LYS A 114 -5.487 -16.333 2.292 1.00 15.59 N ATOM 1024 CA LYS A 114 -4.468 -15.840 1.376 1.00 16.37 C ATOM 1025 C LYS A 114 -5.093 -15.199 0.091 1.00 15.01 C ATOM 1026 O LYS A 114 -6.270 -15.463 -0.260 1.00 14.75 O ATOM 1027 CB LYS A 114 -3.500 -16.996 1.039 1.00 19.21 C ATOM 1028 CG LYS A 114 -3.988 -18.013 0.137 1.00 23.09 C ATOM 1029 CD LYS A 114 -2.899 -19.101 -0.073 1.00 30.07 C ATOM 1030 CE LYS A 114 -3.371 -20.039 -1.185 1.00 37.61 C ATOM 1031 NZ LYS A 114 -3.366 -21.521 -1.019 1.00 44.33 N ATOM 1032 HZ1 LYS A 114 -2.395 -21.845 -0.836 1.00 0.00 H ATOM 1033 HZ2 LYS A 114 -3.976 -21.781 -0.218 1.00 0.00 H ATOM 1034 HZ3 LYS A 114 -3.723 -21.967 -1.888 1.00 0.00 H ATOM 1035 H LYS A 114 -6.408 -16.638 1.918 1.00 0.00 H ATOM 1036 N VAL A 115 -4.362 -14.372 -0.567 1.00 14.38 N ATOM 1037 CA VAL A 115 -4.795 -13.829 -1.884 1.00 15.55 C ATOM 1038 C VAL A 115 -4.431 -14.873 -2.943 1.00 15.63 C ATOM 1039 O VAL A 115 -3.285 -15.219 -3.087 1.00 16.77 O ATOM 1040 CB VAL A 115 -4.076 -12.523 -2.161 1.00 16.27 C ATOM 1041 CG1 VAL A 115 -4.346 -12.019 -3.589 1.00 16.74 C ATOM 1042 CG2 VAL A 115 -4.491 -11.459 -1.159 1.00 17.37 C ATOM 1043 H VAL A 115 -3.447 -14.075 -0.171 1.00 0.00 H ATOM 1044 N VAL A 116 -5.375 -15.417 -3.670 1.00 16.79 N ATOM 1045 CA VAL A 116 -5.080 -16.342 -4.777 1.00 17.04 C ATOM 1046 C VAL A 116 -5.072 -15.713 -6.188 1.00 16.98 C ATOM 1047 O VAL A 116 -4.460 -16.287 -7.100 1.00 17.96 O ATOM 1048 CB VAL A 116 -5.955 -17.601 -4.778 1.00 19.74 C ATOM 1049 CG1 VAL A 116 -5.718 -18.398 -3.502 1.00 21.46 C ATOM 1050 CG2 VAL A 116 -7.393 -17.264 -4.989 1.00 20.21 C ATOM 1051 H VAL A 116 -6.367 -15.188 -3.458 1.00 0.00 H ATOM 1052 N SER A 117 -5.710 -14.581 -6.398 1.00 16.59 N ATOM 1053 CA SER A 117 -5.574 -13.775 -7.629 1.00 17.55 C ATOM 1054 C SER A 117 -5.981 -12.363 -7.342 1.00 16.45 C ATOM 1055 O SER A 117 -6.564 -12.110 -6.301 1.00 15.14 O ATOM 1056 CB SER A 117 -6.403 -14.331 -8.799 1.00 19.07 C ATOM 1057 OG SER A 117 -7.730 -14.483 -8.415 1.00 22.51 O ATOM 1058 HG SER A 117 -8.253 -14.841 -9.175 1.00 0.00 H ATOM 1059 H SER A 117 -6.348 -14.233 -5.653 1.00 0.00 H ATOM 1060 N HIS A 118 -5.635 -11.441 -8.261 1.00 15.67 N ATOM 1061 CA HIS A 118 -5.963 -10.037 -8.090 1.00 14.98 C ATOM 1062 C HIS A 118 -5.958 -9.324 -9.411 1.00 14.67 C ATOM 1063 O HIS A 118 -5.416 -9.805 -10.343 1.00 14.25 O ATOM 1064 CB HIS A 118 -4.878 -9.474 -7.133 1.00 15.17 C ATOM 1065 CG HIS A 118 -3.532 -9.624 -7.670 1.00 15.54 C ATOM 1066 ND1 HIS A 118 -3.025 -8.749 -8.611 1.00 17.14 N ATOM 1067 CD2 HIS A 118 -2.559 -10.529 -7.449 1.00 16.06 C ATOM 1068 CE1 HIS A 118 -1.850 -9.157 -9.028 1.00 16.53 C ATOM 1069 NE2 HIS A 118 -1.518 -10.181 -8.280 1.00 16.95 N ATOM 1070 H HIS A 118 -5.121 -11.742 -9.113 1.00 0.00 H ATOM 1071 N SER A 119 -6.524 -8.154 -9.459 1.00 14.77 N ATOM 1072 CA SER A 119 -6.503 -7.249 -10.594 1.00 15.33 C ATOM 1073 C SER A 119 -5.068 -6.685 -10.835 1.00 15.90 C ATOM 1074 O SER A 119 -4.274 -6.511 -9.948 1.00 15.51 O ATOM 1075 CB SER A 119 -7.455 -6.062 -10.322 1.00 15.52 C ATOM 1076 OG SER A 119 -7.005 -5.352 -9.102 1.00 15.25 O ATOM 1077 HG SER A 119 -6.083 -5.017 -9.238 1.00 0.00 H ATOM 1078 H SER A 119 -7.036 -7.839 -8.610 1.00 0.00 H ATOM 1079 N VAL A 120 -4.835 -6.335 -12.089 1.00 17.39 N ATOM 1080 CA VAL A 120 -3.657 -5.595 -12.465 1.00 18.25 C ATOM 1081 C VAL A 120 -3.804 -4.218 -11.818 1.00 17.57 C ATOM 1082 O VAL A 120 -2.851 -3.722 -11.285 1.00 16.91 O ATOM 1083 CB VAL A 120 -3.479 -5.578 -13.980 1.00 19.49 C ATOM 1084 CG1 VAL A 120 -2.318 -4.672 -14.328 1.00 20.94 C ATOM 1085 CG2 VAL A 120 -3.173 -7.000 -14.455 1.00 20.48 C ATOM 1086 H VAL A 120 -5.521 -6.601 -12.824 1.00 0.00 H ATOM 1087 N GLN A 121 -5.003 -3.620 -11.830 1.00 16.80 N ATOM 1088 CA GLN A 121 -5.154 -2.276 -11.213 1.00 17.24 C ATOM 1089 C GLN A 121 -4.859 -2.226 -9.687 1.00 16.65 C ATOM 1090 O GLN A 121 -5.273 -3.124 -8.950 1.00 15.81 O ATOM 1091 CB GLN A 121 -6.554 -1.761 -11.467 1.00 17.91 C ATOM 1092 CG GLN A 121 -6.742 -0.264 -11.226 1.00 18.15 C ATOM 1093 CD GLN A 121 -8.135 0.223 -11.550 1.00 19.20 C ATOM 1094 OE1 GLN A 121 -9.108 -0.511 -11.499 1.00 18.59 O ATOM 1095 NE2 GLN A 121 -8.229 1.497 -11.792 1.00 18.85 N ATOM 1096 HE22 GLN A 121 -7.372 2.084 -11.826 1.00 0.00 H ATOM 1097 HE21 GLN A 121 -9.162 1.929 -11.952 1.00 0.00 H ATOM 1098 H GLN A 121 -5.820 -4.092 -12.267 1.00 0.00 H ATOM 1099 N ASP A 122 -4.202 -1.159 -9.239 1.00 16.34 N ATOM 1100 CA ASP A 122 -3.983 -0.861 -7.840 1.00 16.77 C ATOM 1101 C ASP A 122 -5.037 0.094 -7.302 1.00 16.76 C ATOM 1102 O ASP A 122 -5.651 0.868 -8.066 1.00 16.40 O ATOM 1103 CB ASP A 122 -2.604 -0.201 -7.713 1.00 18.69 C ATOM 1104 CG ASP A 122 -1.447 -1.209 -7.993 1.00 21.96 C ATOM 1105 OD1 ASP A 122 -0.334 -0.756 -8.242 1.00 25.69 O ATOM 1106 OD2 ASP A 122 -1.644 -2.486 -8.016 1.00 23.07 O ATOM 1107 H ASP A 122 -3.820 -0.494 -9.942 1.00 0.00 H ATOM 1108 N ALA A 123 -5.183 0.152 -5.986 1.00 15.44 N ATOM 1109 CA ALA A 123 -6.028 1.142 -5.380 1.00 15.46 C ATOM 1110 C ALA A 123 -5.389 1.624 -4.052 1.00 15.25 C ATOM 1111 O ALA A 123 -4.530 0.927 -3.485 1.00 15.43 O ATOM 1112 CB ALA A 123 -7.374 0.521 -5.143 1.00 15.22 C ATOM 1113 H ALA A 123 -4.678 -0.529 -5.384 1.00 0.00 H ATOM 1114 N ALA A 124 -5.871 2.698 -3.485 1.00 14.61 N ATOM 1115 CA ALA A 124 -5.438 3.167 -2.182 1.00 15.14 C ATOM 1116 C ALA A 124 -6.461 3.998 -1.521 1.00 16.62 C ATOM 1117 O ALA A 124 -7.135 4.774 -2.196 1.00 17.07 O ATOM 1118 CB ALA A 124 -4.184 3.987 -2.321 1.00 14.68 C ATOM 1119 H ALA A 124 -6.599 3.242 -3.991 1.00 0.00 H ATOM 1120 N LEU A 125 -6.559 3.922 -0.208 1.00 16.95 N ATOM 1121 CA LEU A 125 -7.466 4.830 0.427 1.00 18.67 C ATOM 1122 C LEU A 125 -6.951 6.268 0.368 1.00 20.32 C ATOM 1123 O LEU A 125 -5.748 6.539 0.592 1.00 18.12 O ATOM 1124 CB LEU A 125 -7.670 4.507 1.895 1.00 19.52 C ATOM 1125 CG LEU A 125 -8.114 3.109 2.235 1.00 19.11 C ATOM 1126 CD1 LEU A 125 -8.261 2.908 3.776 1.00 19.14 C ATOM 1127 CD2 LEU A 125 -9.429 2.900 1.526 1.00 21.15 C ATOM 1128 H LEU A 125 -6.004 3.235 0.340 1.00 0.00 H ATOM 1129 N SER A 126 -7.865 7.201 0.081 1.00 20.81 N ATOM 1130 CA SER A 126 -7.515 8.609 0.014 1.00 22.38 C ATOM 1131 C SER A 126 -6.952 9.136 1.327 1.00 22.95 C ATOM 1132 O SER A 126 -6.107 9.970 1.343 1.00 23.68 O ATOM 1133 CB SER A 126 -8.785 9.423 -0.367 1.00 23.47 C ATOM 1134 OG SER A 126 -8.391 10.759 -0.463 1.00 26.12 O ATOM 1135 HG SER A 126 -8.028 11.058 0.408 1.00 0.00 H ATOM 1136 H SER A 126 -8.848 6.912 -0.098 1.00 0.00 H ATOM 1137 N ASP A 127 -7.446 8.673 2.431 1.00 24.85 N ATOM 1138 CA ASP A 127 -7.050 9.188 3.696 1.00 29.80 C ATOM 1139 C ASP A 127 -5.910 8.381 4.232 1.00 29.26 C ATOM 1140 O ASP A 127 -5.620 8.584 5.384 1.00 27.32 O ATOM 1141 CB ASP A 127 -8.195 9.104 4.728 1.00 36.43 C ATOM 1142 CG ASP A 127 -9.409 9.878 4.309 1.00 45.93 C ATOM 1143 OD1 ASP A 127 -9.277 11.104 4.028 1.00 51.73 O ATOM 1144 OD2 ASP A 127 -10.507 9.256 4.248 1.00 59.54 O ATOM 1145 H ASP A 127 -8.148 7.907 2.392 1.00 0.00 H ATOM 1146 N GLY A 128 -5.239 7.509 3.454 1.00 25.45 N ATOM 1147 CA GLY A 128 -4.103 6.771 4.027 1.00 24.31 C ATOM 1148 C GLY A 128 -4.581 5.634 4.952 1.00 22.73 C ATOM 1149 O GLY A 128 -5.747 5.300 4.959 1.00 21.66 O ATOM 1150 H GLY A 128 -5.520 7.360 2.464 1.00 0.00 H ATOM 1151 N GLU A 129 -3.694 5.031 5.742 1.00 21.09 N ATOM 1152 CA GLU A 129 -4.098 3.954 6.640 1.00 22.16 C ATOM 1153 C GLU A 129 -3.485 4.263 7.988 1.00 23.63 C ATOM 1154 O GLU A 129 -2.697 5.130 8.062 1.00 25.26 O ATOM 1155 CB GLU A 129 -3.598 2.545 6.124 1.00 21.50 C ATOM 1156 CG GLU A 129 -4.264 2.100 4.770 1.00 20.51 C ATOM 1157 CD GLU A 129 -3.983 0.662 4.319 1.00 19.02 C ATOM 1158 OE1 GLU A 129 -4.336 0.338 3.186 1.00 16.86 O ATOM 1159 OE2 GLU A 129 -3.490 -0.178 5.137 1.00 18.34 O ATOM 1160 H GLU A 129 -2.699 5.332 5.718 1.00 0.00 H ATOM 1161 N GLY A 130 -3.756 3.461 9.005 1.00 24.65 N ATOM 1162 CA GLY A 130 -3.127 3.579 10.345 1.00 25.23 C ATOM 1163 C GLY A 130 -3.068 2.150 10.930 1.00 24.23 C ATOM 1164 O GLY A 130 -3.395 1.201 10.216 1.00 26.30 O ATOM 1165 H GLY A 130 -4.452 2.702 8.857 1.00 0.00 H TER 1166 GLY A 130 ATOM 1167 N LEU A 132 -3.077 -0.047 14.896 1.00 21.44 N ATOM 1168 CA LEU A 132 -3.032 -0.080 16.350 1.00 24.72 C ATOM 1169 C LEU A 132 -1.674 -0.315 16.932 1.00 23.37 C ATOM 1170 O LEU A 132 -1.420 0.139 18.023 1.00 23.48 O ATOM 1171 CB LEU A 132 -3.930 -1.179 16.903 1.00 29.90 C ATOM 1172 CG LEU A 132 -5.433 -1.101 16.613 1.00 35.16 C ATOM 1173 CD1 LEU A 132 -6.088 -2.482 16.670 1.00 40.23 C ATOM 1174 CD2 LEU A 132 -6.132 -0.169 17.581 1.00 37.82 C ATOM 1175 HN3 LEU A 132 -2.743 -0.957 14.519 1.00 0.00 H ATOM 1176 HN2 LEU A 132 -2.465 0.719 14.549 1.00 0.00 H ATOM 1177 HN1 LEU A 132 -4.055 0.120 14.584 1.00 0.00 H ATOM 1178 N SER A 133 -0.789 -0.992 16.239 1.00 21.25 N ATOM 1179 CA SER A 133 0.557 -1.167 16.732 1.00 22.17 C ATOM 1180 C SER A 133 1.488 0.019 16.468 1.00 22.91 C ATOM 1181 O SER A 133 2.647 0.014 16.899 1.00 23.18 O ATOM 1182 CB SER A 133 1.159 -2.435 16.118 1.00 22.47 C ATOM 1183 OG SER A 133 0.376 -3.571 16.525 1.00 21.41 O ATOM 1184 HG SER A 133 0.386 -3.641 17.512 1.00 0.00 H ATOM 1185 H SER A 133 -1.060 -1.407 15.325 1.00 0.00 H ATOM 1186 N VAL A 134 0.998 1.044 15.781 1.00 22.66 N ATOM 1187 CA VAL A 134 1.857 2.148 15.371 1.00 23.58 C ATOM 1188 C VAL A 134 1.372 3.493 15.957 1.00 23.99 C ATOM 1189 O VAL A 134 0.305 3.959 15.661 1.00 25.07 O ATOM 1190 CB VAL A 134 1.921 2.225 13.827 1.00 21.93 C ATOM 1191 CG1 VAL A 134 2.755 3.403 13.388 1.00 22.18 C ATOM 1192 CG2 VAL A 134 2.515 0.958 13.254 1.00 21.22 C ATOM 1193 H VAL A 134 -0.012 1.059 15.532 1.00 0.00 H ATOM 1194 N ASP A 135 2.198 4.110 16.747 1.00 27.50 N ATOM 1195 CA ASP A 135 1.838 5.367 17.367 1.00 31.13 C ATOM 1196 C ASP A 135 2.670 6.553 16.811 1.00 29.78 C ATOM 1197 O ASP A 135 3.377 7.230 17.557 1.00 29.55 O ATOM 1198 CB ASP A 135 1.966 5.214 18.887 1.00 36.43 C ATOM 1199 CG ASP A 135 1.281 6.360 19.615 1.00 42.56 C ATOM 1200 OD1 ASP A 135 0.176 6.770 19.177 1.00 50.19 O ATOM 1201 OD2 ASP A 135 1.888 6.914 20.572 1.00 52.73 O ATOM 1202 H ASP A 135 3.132 3.694 16.937 1.00 0.00 H ATOM 1203 N ARG A 136 2.593 6.735 15.505 1.00 27.47 N ATOM 1204 CA ARG A 136 3.301 7.741 14.722 1.00 28.49 C ATOM 1205 C ARG A 136 2.269 8.198 13.726 1.00 29.38 C ATOM 1206 O ARG A 136 1.349 7.444 13.387 1.00 28.65 O ATOM 1207 CB ARG A 136 4.489 7.183 13.998 1.00 27.09 C ATOM 1208 CG ARG A 136 5.619 6.816 14.925 1.00 28.20 C ATOM 1209 CD ARG A 136 6.894 6.300 14.228 1.00 27.78 C ATOM 1210 NE ARG A 136 6.676 5.148 13.365 1.00 25.55 N ATOM 1211 CZ ARG A 136 6.499 5.180 12.045 1.00 25.98 C ATOM 1212 NH1 ARG A 136 6.267 4.048 11.398 1.00 23.21 N ATOM 1213 NH2 ARG A 136 6.543 6.352 11.347 1.00 25.60 N ATOM 1214 HE ARG A 136 6.657 4.214 13.821 1.00 0.00 H ATOM 1215 HH12 ARG A 136 6.127 4.057 10.368 1.00 0.00 H ATOM 1216 HH11 ARG A 136 6.225 3.150 11.920 1.00 0.00 H ATOM 1217 HH22 ARG A 136 6.402 6.349 10.317 1.00 0.00 H ATOM 1218 HH21 ARG A 136 6.718 7.248 11.845 1.00 0.00 H ATOM 1219 H ARG A 136 1.963 6.095 14.981 1.00 0.00 H ATOM 1220 N GLU A 137 2.356 9.451 13.299 1.00 30.57 N ATOM 1221 CA GLU A 137 1.481 9.917 12.196 1.00 31.18 C ATOM 1222 C GLU A 137 2.256 9.463 10.956 1.00 29.50 C ATOM 1223 O GLU A 137 3.493 9.598 10.912 1.00 31.26 O ATOM 1224 CB GLU A 137 1.258 11.460 12.235 1.00 32.57 C ATOM 1225 H GLU A 137 3.036 10.105 13.737 1.00 0.00 H ATOM 1226 N VAL A 138 1.603 8.733 10.068 1.00 25.51 N ATOM 1227 CA VAL A 138 2.298 8.223 8.859 1.00 24.96 C ATOM 1228 C VAL A 138 1.513 8.584 7.596 1.00 23.11 C ATOM 1229 O VAL A 138 0.489 7.980 7.316 1.00 20.97 O ATOM 1230 CB VAL A 138 2.486 6.703 8.804 1.00 23.31 C ATOM 1231 CG1 VAL A 138 3.364 6.392 7.610 1.00 22.76 C ATOM 1232 CG2 VAL A 138 3.099 6.151 10.086 1.00 23.06 C ATOM 1233 H VAL A 138 0.597 8.515 10.217 1.00 0.00 H ATOM 1234 N PRO A 139 1.988 9.563 6.871 1.00 22.12 N ATOM 1235 CA PRO A 139 1.238 10.010 5.717 1.00 22.28 C ATOM 1236 C PRO A 139 1.498 9.186 4.453 1.00 21.05 C ATOM 1237 O PRO A 139 2.576 8.587 4.261 1.00 21.56 O ATOM 1238 CB PRO A 139 1.724 11.458 5.566 1.00 23.63 C ATOM 1239 CG PRO A 139 3.166 11.346 5.910 1.00 24.55 C ATOM 1240 CD PRO A 139 3.190 10.385 7.100 1.00 24.38 C ATOM 1241 N GLY A 140 0.477 9.098 3.622 1.00 19.82 N ATOM 1242 CA GLY A 140 0.639 8.732 2.235 1.00 18.79 C ATOM 1243 C GLY A 140 -0.327 7.649 1.770 1.00 18.74 C ATOM 1244 O GLY A 140 -0.995 7.075 2.535 1.00 19.34 O ATOM 1245 H GLY A 140 -0.479 9.300 3.979 1.00 0.00 H ATOM 1246 N TYR A 141 -0.282 7.344 0.476 1.00 18.60 N ATOM 1247 CA TYR A 141 -1.093 6.348 -0.123 1.00 18.10 C ATOM 1248 C TYR A 141 -0.467 4.962 0.022 1.00 17.48 C ATOM 1249 O TYR A 141 0.743 4.725 -0.402 1.00 16.60 O ATOM 1250 CB TYR A 141 -1.169 6.625 -1.598 1.00 19.01 C ATOM 1251 CG TYR A 141 -1.922 7.858 -1.944 1.00 21.13 C ATOM 1252 CD1 TYR A 141 -3.083 8.213 -1.260 1.00 21.79 C ATOM 1253 CD2 TYR A 141 -1.490 8.664 -3.010 1.00 22.50 C ATOM 1254 CE1 TYR A 141 -3.739 9.369 -1.562 1.00 23.43 C ATOM 1255 CE2 TYR A 141 -2.183 9.805 -3.374 1.00 23.01 C ATOM 1256 CZ TYR A 141 -3.285 10.158 -2.666 1.00 23.47 C ATOM 1257 OH TYR A 141 -3.969 11.264 -3.038 1.00 23.46 O ATOM 1258 HH TYR A 141 -4.742 11.392 -2.432 1.00 0.00 H ATOM 1259 H TYR A 141 0.385 7.865 -0.129 1.00 0.00 H ATOM 1260 N VAL A 142 -1.253 4.074 0.632 1.00 15.65 N ATOM 1261 CA VAL A 142 -0.831 2.694 0.839 1.00 16.08 C ATOM 1262 C VAL A 142 -1.326 1.891 -0.385 1.00 15.09 C ATOM 1263 O VAL A 142 -2.485 1.559 -0.507 1.00 15.21 O ATOM 1264 CB VAL A 142 -1.337 2.159 2.185 1.00 15.63 C ATOM 1265 CG1 VAL A 142 -0.865 0.752 2.380 1.00 16.14 C ATOM 1266 CG2 VAL A 142 -0.871 3.031 3.313 1.00 15.65 C ATOM 1267 H VAL A 142 -2.190 4.373 0.968 1.00 0.00 H ATOM 1268 N VAL A 143 -0.418 1.648 -1.310 1.00 15.76 N ATOM 1269 CA VAL A 143 -0.766 1.072 -2.668 1.00 15.34 C ATOM 1270 C VAL A 143 -1.055 -0.454 -2.561 1.00 15.25 C ATOM 1271 O VAL A 143 -0.166 -1.235 -2.168 1.00 13.77 O ATOM 1272 CB VAL A 143 0.390 1.366 -3.587 1.00 16.28 C ATOM 1273 CG1 VAL A 143 0.168 0.744 -4.991 1.00 17.82 C ATOM 1274 CG2 VAL A 143 0.552 2.897 -3.715 1.00 17.07 C ATOM 1275 H VAL A 143 0.578 1.860 -1.099 1.00 0.00 H ATOM 1276 N ARG A 144 -2.265 -0.864 -2.895 1.00 14.00 N ATOM 1277 CA ARG A 144 -2.698 -2.236 -2.788 1.00 13.84 C ATOM 1278 C ARG A 144 -3.336 -2.709 -4.138 1.00 13.39 C ATOM 1279 O ARG A 144 -3.386 -1.935 -5.031 1.00 13.62 O ATOM 1280 CB ARG A 144 -3.690 -2.254 -1.663 1.00 13.47 C ATOM 1281 CG ARG A 144 -3.011 -2.018 -0.314 1.00 13.90 C ATOM 1282 CD ARG A 144 -3.942 -2.456 0.807 1.00 13.74 C ATOM 1283 NE ARG A 144 -3.407 -2.133 2.132 1.00 14.48 N ATOM 1284 CZ ARG A 144 -2.459 -2.860 2.802 1.00 14.35 C ATOM 1285 NH1 ARG A 144 -1.822 -3.901 2.262 1.00 13.48 N ATOM 1286 NH2 ARG A 144 -2.077 -2.460 4.000 1.00 15.41 N ATOM 1287 HE ARG A 144 -3.777 -1.282 2.602 1.00 0.00 H ATOM 1288 HH12 ARG A 144 -1.110 -4.419 2.815 1.00 0.00 H ATOM 1289 HH11 ARG A 144 -2.038 -4.194 1.288 1.00 0.00 H ATOM 1290 HH22 ARG A 144 -1.358 -2.999 4.524 1.00 0.00 H ATOM 1291 HH21 ARG A 144 -2.495 -1.605 4.421 1.00 0.00 H ATOM 1292 H ARG A 144 -2.942 -0.161 -3.254 1.00 0.00 H ATOM 1293 N HIS A 145 -3.708 -3.979 -4.255 1.00 12.55 N ATOM 1294 CA HIS A 145 -4.521 -4.512 -5.339 1.00 12.66 C ATOM 1295 C HIS A 145 -5.928 -3.924 -5.236 1.00 12.88 C ATOM 1296 O HIS A 145 -6.467 -3.860 -4.154 1.00 12.48 O ATOM 1297 CB HIS A 145 -4.616 -6.011 -5.371 1.00 12.34 C ATOM 1298 CG HIS A 145 -3.280 -6.719 -5.339 1.00 12.58 C ATOM 1299 ND1 HIS A 145 -2.375 -6.616 -6.346 1.00 13.00 N ATOM 1300 CD2 HIS A 145 -2.713 -7.534 -4.404 1.00 12.82 C ATOM 1301 CE1 HIS A 145 -1.292 -7.360 -6.073 1.00 13.65 C ATOM 1302 NE2 HIS A 145 -1.480 -7.923 -4.898 1.00 13.99 N ATOM 1303 H HIS A 145 -3.395 -4.642 -3.517 1.00 0.00 H ATOM 1304 N ALA A 146 -6.460 -3.441 -6.361 1.00 12.65 N ATOM 1305 CA ALA A 146 -7.813 -2.917 -6.330 1.00 13.73 C ATOM 1306 C ALA A 146 -8.792 -4.060 -5.928 1.00 13.75 C ATOM 1307 O ALA A 146 -9.629 -3.867 -5.113 1.00 14.90 O ATOM 1308 CB ALA A 146 -8.207 -2.295 -7.668 1.00 13.49 C ATOM 1309 H ALA A 146 -5.913 -3.440 -7.246 1.00 0.00 H ATOM 1310 N ARG A 147 -8.733 -5.181 -6.595 1.00 13.94 N ATOM 1311 CA ARG A 147 -9.662 -6.317 -6.459 1.00 14.25 C ATOM 1312 C ARG A 147 -8.818 -7.583 -6.181 1.00 14.52 C ATOM 1313 O ARG A 147 -7.679 -7.729 -6.686 1.00 13.29 O ATOM 1314 CB ARG A 147 -10.521 -6.511 -7.717 1.00 15.94 C ATOM 1315 CG ARG A 147 -11.337 -5.221 -8.061 1.00 16.91 C ATOM 1316 CD ARG A 147 -12.075 -5.308 -9.360 1.00 19.23 C ATOM 1317 NE ARG A 147 -11.198 -5.216 -10.527 1.00 21.06 N ATOM 1318 CZ ARG A 147 -10.628 -4.090 -10.981 1.00 22.93 C ATOM 1319 NH1 ARG A 147 -9.866 -4.165 -12.038 1.00 23.35 N ATOM 1320 NH2 ARG A 147 -10.819 -2.878 -10.408 1.00 25.46 N ATOM 1321 HE ARG A 147 -11.000 -6.095 -11.047 1.00 0.00 H ATOM 1322 HH12 ARG A 147 -9.411 -3.308 -12.413 1.00 0.00 H ATOM 1323 HH11 ARG A 147 -9.714 -5.081 -12.506 1.00 0.00 H ATOM 1324 HH22 ARG A 147 -10.351 -2.037 -10.802 1.00 0.00 H ATOM 1325 HH21 ARG A 147 -11.433 -2.788 -9.574 1.00 0.00 H ATOM 1326 H ARG A 147 -7.961 -5.281 -7.284 1.00 0.00 H ATOM 1327 N VAL A 148 -9.343 -8.452 -5.315 1.00 14.92 N ATOM 1328 CA VAL A 148 -8.647 -9.744 -4.925 1.00 14.27 C ATOM 1329 C VAL A 148 -9.681 -10.865 -4.886 1.00 14.56 C ATOM 1330 O VAL A 148 -10.870 -10.642 -4.654 1.00 13.12 O ATOM 1331 CB VAL A 148 -7.939 -9.659 -3.557 1.00 14.56 C ATOM 1332 CG1 VAL A 148 -6.819 -8.706 -3.637 1.00 15.18 C ATOM 1333 CG2 VAL A 148 -8.811 -9.203 -2.367 1.00 15.43 C ATOM 1334 H VAL A 148 -10.267 -8.235 -4.890 1.00 0.00 H ATOM 1335 N THR A 149 -9.229 -12.079 -5.138 1.00 14.72 N ATOM 1336 CA THR A 149 -9.937 -13.246 -4.836 1.00 15.49 C ATOM 1337 C THR A 149 -9.157 -13.838 -3.703 1.00 15.83 C ATOM 1338 O THR A 149 -7.951 -14.058 -3.852 1.00 14.87 O ATOM 1339 CB THR A 149 -9.953 -14.213 -6.033 1.00 16.13 C ATOM 1340 OG1 THR A 149 -10.505 -13.520 -7.134 1.00 16.94 O ATOM 1341 CG2 THR A 149 -10.801 -15.353 -5.750 1.00 16.83 C ATOM 1342 HG1 THR A 149 -9.947 -12.728 -7.337 1.00 0.00 H ATOM 1343 H THR A 149 -8.295 -12.173 -5.586 1.00 0.00 H ATOM 1344 N ILE A 150 -9.851 -14.114 -2.604 1.00 15.65 N ATOM 1345 CA ILE A 150 -9.242 -14.761 -1.471 1.00 16.69 C ATOM 1346 C ILE A 150 -9.794 -16.186 -1.237 1.00 17.20 C ATOM 1347 O ILE A 150 -10.920 -16.520 -1.663 1.00 16.29 O ATOM 1348 CB ILE A 150 -9.273 -13.912 -0.173 1.00 19.50 C ATOM 1349 CG1 ILE A 150 -10.733 -13.670 0.236 1.00 20.57 C ATOM 1350 CG2 ILE A 150 -8.516 -12.531 -0.318 1.00 18.57 C ATOM 1351 CD1 ILE A 150 -10.893 -13.423 1.707 1.00 23.09 C ATOM 1352 H ILE A 150 -10.858 -13.857 -2.561 1.00 0.00 H ATOM 1353 N GLU A 151 -8.933 -17.038 -0.625 1.00 15.86 N ATOM 1354 CA GLU A 151 -9.346 -18.231 0.049 1.00 16.64 C ATOM 1355 C GLU A 151 -9.109 -18.170 1.536 1.00 15.68 C ATOM 1356 O GLU A 151 -8.056 -17.675 1.994 1.00 15.56 O ATOM 1357 CB GLU A 151 -8.546 -19.460 -0.472 1.00 18.77 C ATOM 1358 CG GLU A 151 -9.113 -19.809 -1.824 1.00 21.98 C ATOM 1359 CD GLU A 151 -8.411 -20.976 -2.556 1.00 23.85 C ATOM 1360 OE1 GLU A 151 -7.393 -21.532 -2.066 1.00 25.17 O ATOM 1361 OE2 GLU A 151 -8.911 -21.236 -3.686 1.00 23.27 O ATOM 1362 H GLU A 151 -7.918 -16.812 -0.647 1.00 0.00 H ATOM 1363 N TYR A 152 -9.969 -18.849 2.279 1.00 13.66 N ATOM 1364 CA TYR A 152 -9.752 -18.968 3.740 1.00 14.25 C ATOM 1365 C TYR A 152 -10.571 -20.106 4.315 1.00 13.42 C ATOM 1366 O TYR A 152 -11.487 -20.597 3.646 1.00 13.11 O ATOM 1367 CB TYR A 152 -10.031 -17.613 4.457 1.00 14.63 C ATOM 1368 CG TYR A 152 -11.482 -17.215 4.495 1.00 16.16 C ATOM 1369 CD1 TYR A 152 -12.306 -17.632 5.514 1.00 17.22 C ATOM 1370 CD2 TYR A 152 -12.032 -16.472 3.487 1.00 17.28 C ATOM 1371 CE1 TYR A 152 -13.699 -17.332 5.510 1.00 19.06 C ATOM 1372 CE2 TYR A 152 -13.407 -16.213 3.453 1.00 18.84 C ATOM 1373 CZ TYR A 152 -14.212 -16.627 4.494 1.00 19.51 C ATOM 1374 OH TYR A 152 -15.512 -16.287 4.495 1.00 22.17 O ATOM 1375 HH TYR A 152 -15.948 -16.658 5.303 1.00 0.00 H ATOM 1376 H TYR A 152 -10.796 -19.299 1.838 1.00 0.00 H ATOM 1377 N PHE A 153 -10.334 -20.467 5.557 1.00 13.40 N ATOM 1378 CA PHE A 153 -11.114 -21.491 6.240 1.00 13.57 C ATOM 1379 C PHE A 153 -11.867 -20.850 7.411 1.00 13.99 C ATOM 1380 O PHE A 153 -11.340 -19.901 8.102 1.00 12.81 O ATOM 1381 CB PHE A 153 -10.196 -22.639 6.707 1.00 14.60 C ATOM 1382 CG PHE A 153 -9.559 -23.360 5.583 1.00 15.97 C ATOM 1383 CD1 PHE A 153 -10.047 -24.539 5.127 1.00 17.65 C ATOM 1384 CD2 PHE A 153 -8.507 -22.798 4.895 1.00 18.33 C ATOM 1385 CE1 PHE A 153 -9.477 -25.212 4.014 1.00 17.68 C ATOM 1386 CE2 PHE A 153 -7.991 -23.397 3.717 1.00 19.40 C ATOM 1387 CZ PHE A 153 -8.444 -24.639 3.330 1.00 19.11 C ATOM 1388 H PHE A 153 -9.559 -20.003 6.072 1.00 0.00 H ATOM 1389 N ASP A 154 -13.076 -21.318 7.703 1.00 14.32 N ATOM 1390 CA ASP A 154 -13.665 -20.927 8.962 1.00 15.56 C ATOM 1391 C ASP A 154 -13.251 -21.842 10.111 1.00 16.58 C ATOM 1392 O ASP A 154 -12.506 -22.840 9.923 1.00 16.34 O ATOM 1393 CB ASP A 154 -15.157 -20.611 8.872 1.00 18.08 C ATOM 1394 CG ASP A 154 -16.038 -21.816 8.586 1.00 19.65 C ATOM 1395 OD1 ASP A 154 -15.832 -22.899 9.137 1.00 22.76 O ATOM 1396 OD2 ASP A 154 -16.994 -21.658 7.811 1.00 22.57 O ATOM 1397 H ASP A 154 -13.582 -21.946 7.046 1.00 0.00 H ATOM 1398 N LYS A 155 -13.728 -21.521 11.306 1.00 18.68 N ATOM 1399 CA LYS A 155 -13.447 -22.274 12.545 1.00 21.05 C ATOM 1400 C LYS A 155 -13.883 -23.732 12.479 1.00 21.53 C ATOM 1401 O LYS A 155 -13.264 -24.550 13.098 1.00 20.09 O ATOM 1402 CB LYS A 155 -14.049 -21.580 13.785 1.00 22.98 C ATOM 1403 CG LYS A 155 -15.578 -21.680 13.857 1.00 27.02 C ATOM 1404 CD LYS A 155 -16.209 -20.587 14.679 1.00 30.11 C ATOM 1405 CE LYS A 155 -16.213 -20.820 16.177 1.00 33.74 C ATOM 1406 NZ LYS A 155 -16.939 -19.651 16.871 1.00 36.35 N ATOM 1407 HZ1 LYS A 155 -16.444 -18.761 16.657 1.00 0.00 H ATOM 1408 HZ2 LYS A 155 -17.918 -19.597 16.523 1.00 0.00 H ATOM 1409 HZ3 LYS A 155 -16.943 -19.808 17.899 1.00 0.00 H ATOM 1410 H LYS A 155 -14.341 -20.683 11.375 1.00 0.00 H ATOM 1411 N THR A 156 -14.818 -24.074 11.598 1.00 21.07 N ATOM 1412 CA THR A 156 -15.187 -25.462 11.427 1.00 22.49 C ATOM 1413 C THR A 156 -14.231 -26.141 10.498 1.00 23.11 C ATOM 1414 O THR A 156 -14.275 -27.344 10.363 1.00 25.96 O ATOM 1415 CB THR A 156 -16.634 -25.603 10.817 1.00 23.86 C ATOM 1416 OG1 THR A 156 -16.653 -25.227 9.408 1.00 23.38 O ATOM 1417 CG2 THR A 156 -17.648 -24.675 11.546 1.00 25.02 C ATOM 1418 HG1 THR A 156 -16.361 -24.286 9.315 1.00 0.00 H ATOM 1419 H THR A 156 -15.286 -23.340 11.029 1.00 0.00 H ATOM 1420 N GLY A 157 -13.346 -25.451 9.808 1.00 20.73 N ATOM 1421 CA GLY A 157 -12.629 -26.168 8.760 1.00 19.31 C ATOM 1422 C GLY A 157 -13.190 -26.052 7.335 1.00 18.06 C ATOM 1423 O GLY A 157 -12.557 -26.490 6.385 1.00 19.17 O ATOM 1424 H GLY A 157 -13.168 -24.445 10.001 1.00 0.00 H ATOM 1425 N GLU A 158 -14.356 -25.484 7.161 1.00 17.21 N ATOM 1426 CA GLU A 158 -14.920 -25.271 5.786 1.00 16.71 C ATOM 1427 C GLU A 158 -14.122 -24.208 4.954 1.00 15.67 C ATOM 1428 O GLU A 158 -13.825 -23.135 5.463 1.00 13.87 O ATOM 1429 CB GLU A 158 -16.379 -24.847 5.959 1.00 17.49 C ATOM 1430 CG GLU A 158 -17.104 -24.658 4.609 1.00 18.78 C ATOM 1431 CD GLU A 158 -18.609 -24.324 4.693 1.00 19.19 C ATOM 1432 OE1 GLU A 158 -19.153 -24.258 3.603 1.00 19.09 O ATOM 1433 OE2 GLU A 158 -19.237 -24.180 5.811 1.00 19.05 O ATOM 1434 H GLU A 158 -14.902 -25.174 7.990 1.00 0.00 H ATOM 1435 N LYS A 159 -13.765 -24.532 3.729 1.00 15.82 N ATOM 1436 CA LYS A 159 -13.057 -23.637 2.865 1.00 17.21 C ATOM 1437 C LYS A 159 -14.052 -22.706 2.146 1.00 17.44 C ATOM 1438 O LYS A 159 -15.157 -23.145 1.813 1.00 17.80 O ATOM 1439 CB LYS A 159 -12.308 -24.415 1.824 1.00 18.54 C ATOM 1440 CG LYS A 159 -11.325 -23.568 0.947 1.00 19.70 C ATOM 1441 CD LYS A 159 -10.607 -24.499 -0.062 1.00 20.90 C ATOM 1442 CE LYS A 159 -9.525 -23.823 -0.854 1.00 22.75 C ATOM 1443 NZ LYS A 159 -8.953 -24.759 -1.845 1.00 25.03 N ATOM 1444 HZ1 LYS A 159 -8.550 -25.581 -1.351 1.00 0.00 H ATOM 1445 HZ2 LYS A 159 -9.702 -25.076 -2.494 1.00 0.00 H ATOM 1446 HZ3 LYS A 159 -8.206 -24.277 -2.385 1.00 0.00 H ATOM 1447 H LYS A 159 -14.008 -25.479 3.374 1.00 0.00 H ATOM 1448 N HIS A 160 -13.665 -21.436 1.999 1.00 16.06 N ATOM 1449 CA HIS A 160 -14.415 -20.418 1.317 1.00 16.59 C ATOM 1450 C HIS A 160 -13.526 -19.754 0.278 1.00 16.56 C ATOM 1451 O HIS A 160 -12.338 -19.557 0.505 1.00 15.62 O ATOM 1452 CB HIS A 160 -14.911 -19.365 2.295 1.00 16.82 C ATOM 1453 CG HIS A 160 -15.727 -19.933 3.377 1.00 18.72 C ATOM 1454 ND1 HIS A 160 -17.086 -20.073 3.277 1.00 22.66 N ATOM 1455 CD2 HIS A 160 -15.380 -20.487 4.575 1.00 19.11 C ATOM 1456 CE1 HIS A 160 -17.557 -20.648 4.383 1.00 21.83 C ATOM 1457 NE2 HIS A 160 -16.539 -20.858 5.196 1.00 20.29 N ATOM 1458 H HIS A 160 -12.750 -21.163 2.410 1.00 0.00 H ATOM 1459 N ARG A 161 -14.130 -19.349 -0.830 1.00 15.84 N ATOM 1460 CA ARG A 161 -13.461 -18.584 -1.939 1.00 15.99 C ATOM 1461 C ARG A 161 -14.343 -17.371 -2.187 1.00 15.85 C ATOM 1462 O ARG A 161 -15.574 -17.482 -2.251 1.00 13.30 O ATOM 1463 CB ARG A 161 -13.374 -19.429 -3.185 1.00 17.47 C ATOM 1464 CG ARG A 161 -12.924 -20.869 -2.912 1.00 18.87 C ATOM 1465 CD ARG A 161 -12.537 -21.726 -4.125 1.00 20.43 C ATOM 1466 NE ARG A 161 -11.454 -21.185 -4.934 1.00 21.38 N ATOM 1467 CZ ARG A 161 -11.518 -20.898 -6.239 1.00 23.95 C ATOM 1468 NH1 ARG A 161 -12.588 -21.119 -6.988 1.00 23.00 N ATOM 1469 NH2 ARG A 161 -10.416 -20.507 -6.845 1.00 24.87 N ATOM 1470 HE ARG A 161 -10.549 -21.006 -4.454 1.00 0.00 H ATOM 1471 HH12 ARG A 161 -12.575 -20.873 -7.999 1.00 0.00 H ATOM 1472 HH11 ARG A 161 -13.441 -21.538 -6.566 1.00 0.00 H ATOM 1473 HH22 ARG A 161 -10.434 -20.277 -7.859 1.00 0.00 H ATOM 1474 HH21 ARG A 161 -9.528 -20.429 -6.310 1.00 0.00 H ATOM 1475 H ARG A 161 -15.139 -19.576 -0.941 1.00 0.00 H ATOM 1476 N LEU A 162 -13.742 -16.195 -2.165 1.00 16.86 N ATOM 1477 CA LEU A 162 -14.476 -14.958 -2.147 1.00 17.80 C ATOM 1478 C LEU A 162 -13.726 -13.850 -2.975 1.00 17.62 C ATOM 1479 O LEU A 162 -12.530 -13.623 -2.680 1.00 16.75 O ATOM 1480 CB LEU A 162 -14.486 -14.472 -0.691 1.00 19.41 C ATOM 1481 CG LEU A 162 -15.647 -13.714 -0.144 1.00 21.15 C ATOM 1482 CD1 LEU A 162 -15.311 -12.802 1.002 1.00 21.36 C ATOM 1483 CD2 LEU A 162 -16.636 -13.085 -1.059 1.00 22.90 C ATOM 1484 H LEU A 162 -12.703 -16.162 -2.161 1.00 0.00 H ATOM 1485 N LYS A 163 -14.444 -13.105 -3.856 1.00 15.89 N ATOM 1486 CA LYS A 163 -13.921 -11.932 -4.561 1.00 16.69 C ATOM 1487 C LYS A 163 -14.350 -10.654 -3.767 1.00 17.25 C ATOM 1488 O LYS A 163 -15.458 -10.602 -3.203 1.00 16.10 O ATOM 1489 CB LYS A 163 -14.495 -11.835 -5.986 1.00 17.16 C ATOM 1490 CG LYS A 163 -13.902 -12.857 -6.911 1.00 18.53 C ATOM 1491 CD LYS A 163 -14.471 -12.808 -8.325 1.00 20.07 C ATOM 1492 CE LYS A 163 -13.398 -13.251 -9.311 1.00 22.34 C ATOM 1493 NZ LYS A 163 -14.026 -13.313 -10.659 1.00 26.05 N ATOM 1494 HZ1 LYS A 163 -14.810 -13.996 -10.644 1.00 0.00 H ATOM 1495 HZ2 LYS A 163 -14.389 -12.372 -10.915 1.00 0.00 H ATOM 1496 HZ3 LYS A 163 -13.316 -13.614 -11.357 1.00 0.00 H ATOM 1497 H LYS A 163 -15.428 -13.386 -4.042 1.00 0.00 H ATOM 1498 N LEU A 164 -13.454 -9.684 -3.668 1.00 16.42 N ATOM 1499 CA LEU A 164 -13.658 -8.458 -2.925 1.00 16.13 C ATOM 1500 C LEU A 164 -13.102 -7.325 -3.754 1.00 15.57 C ATOM 1501 O LEU A 164 -12.128 -7.471 -4.462 1.00 12.78 O ATOM 1502 CB LEU A 164 -12.901 -8.449 -1.578 1.00 16.70 C ATOM 1503 CG LEU A 164 -13.248 -9.564 -0.562 1.00 18.86 C ATOM 1504 CD1 LEU A 164 -12.220 -9.627 0.577 1.00 19.33 C ATOM 1505 CD2 LEU A 164 -14.627 -9.356 0.094 1.00 19.01 C ATOM 1506 H LEU A 164 -12.544 -9.811 -4.156 1.00 0.00 H ATOM 1507 N LYS A 165 -13.766 -6.191 -3.600 1.00 16.81 N ATOM 1508 CA LYS A 165 -13.348 -4.960 -4.102 1.00 19.52 C ATOM 1509 C LYS A 165 -13.575 -3.810 -3.076 1.00 19.97 C ATOM 1510 O LYS A 165 -14.030 -4.024 -1.958 1.00 20.61 O ATOM 1511 CB LYS A 165 -14.124 -4.730 -5.392 1.00 22.44 C ATOM 1512 CG LYS A 165 -15.607 -4.528 -5.128 1.00 25.09 C ATOM 1513 CD LYS A 165 -16.236 -4.210 -6.439 1.00 31.79 C ATOM 1514 CE LYS A 165 -17.761 -4.216 -6.352 1.00 37.26 C ATOM 1515 NZ LYS A 165 -18.147 -4.664 -7.714 1.00 42.19 N ATOM 1516 HZ1 LYS A 165 -17.781 -3.989 -8.416 1.00 0.00 H ATOM 1517 HZ2 LYS A 165 -17.745 -5.606 -7.895 1.00 0.00 H ATOM 1518 HZ3 LYS A 165 -19.184 -4.709 -7.782 1.00 0.00 H ATOM 1519 H LYS A 165 -14.660 -6.220 -3.069 1.00 0.00 H ATOM 1520 N GLY A 166 -13.185 -2.608 -3.482 1.00 19.92 N ATOM 1521 CA GLY A 166 -13.364 -1.385 -2.713 1.00 19.29 C ATOM 1522 C GLY A 166 -12.663 -1.467 -1.372 1.00 18.51 C ATOM 1523 O GLY A 166 -11.572 -2.061 -1.240 1.00 16.38 O ATOM 1524 H GLY A 166 -12.721 -2.535 -4.410 1.00 0.00 H ATOM 1525 N TYR A 167 -13.367 -0.976 -0.362 1.00 17.30 N ATOM 1526 CA TYR A 167 -12.816 -0.887 0.992 1.00 18.17 C ATOM 1527 C TYR A 167 -12.567 -2.253 1.644 1.00 16.44 C ATOM 1528 O TYR A 167 -11.605 -2.422 2.415 1.00 16.29 O ATOM 1529 CB TYR A 167 -13.757 0.012 1.846 1.00 19.35 C ATOM 1530 CG TYR A 167 -13.302 0.275 3.221 1.00 21.79 C ATOM 1531 CD1 TYR A 167 -13.987 -0.137 4.254 1.00 22.20 C ATOM 1532 CD2 TYR A 167 -12.100 0.980 3.478 1.00 24.64 C ATOM 1533 CE1 TYR A 167 -13.592 0.188 5.547 1.00 24.40 C ATOM 1534 CE2 TYR A 167 -11.643 1.259 4.773 1.00 25.07 C ATOM 1535 CZ TYR A 167 -12.433 0.861 5.816 1.00 24.76 C ATOM 1536 OH TYR A 167 -12.092 1.138 7.084 1.00 24.99 O ATOM 1537 HH TYR A 167 -12.779 0.774 7.696 1.00 0.00 H ATOM 1538 H TYR A 167 -14.337 -0.645 -0.536 1.00 0.00 H ATOM 1539 N ASN A 168 -13.438 -3.238 1.389 1.00 15.75 N ATOM 1540 CA ASN A 168 -13.255 -4.556 1.964 1.00 15.31 C ATOM 1541 C ASN A 168 -12.032 -5.264 1.452 1.00 13.43 C ATOM 1542 O ASN A 168 -11.399 -5.955 2.179 1.00 12.69 O ATOM 1543 CB ASN A 168 -14.476 -5.414 1.669 1.00 17.62 C ATOM 1544 CG ASN A 168 -15.712 -4.902 2.457 1.00 20.27 C ATOM 1545 OD1 ASN A 168 -15.649 -3.915 3.219 1.00 21.25 O ATOM 1546 ND2 ASN A 168 -16.814 -5.468 2.153 1.00 23.10 N ATOM 1547 HD22 ASN A 168 -16.818 -6.288 1.514 1.00 0.00 H ATOM 1548 HD21 ASN A 168 -17.708 -5.109 2.544 1.00 0.00 H ATOM 1549 H ASN A 168 -14.255 -3.055 0.772 1.00 0.00 H ATOM 1550 N SER A 169 -11.744 -5.073 0.186 1.00 12.49 N ATOM 1551 CA SER A 169 -10.504 -5.516 -0.430 1.00 12.33 C ATOM 1552 C SER A 169 -9.254 -4.957 0.316 1.00 12.27 C ATOM 1553 O SER A 169 -8.304 -5.722 0.668 1.00 11.12 O ATOM 1554 CB SER A 169 -10.532 -5.190 -1.913 1.00 12.25 C ATOM 1555 OG SER A 169 -9.306 -5.370 -2.496 1.00 11.69 O ATOM 1556 HG SER A 169 -9.364 -5.148 -3.459 1.00 0.00 H ATOM 1557 H SER A 169 -12.440 -4.578 -0.408 1.00 0.00 H ATOM 1558 N ILE A 170 -9.297 -3.676 0.611 1.00 13.16 N ATOM 1559 CA ILE A 170 -8.204 -2.973 1.238 1.00 14.78 C ATOM 1560 C ILE A 170 -8.039 -3.495 2.686 1.00 15.33 C ATOM 1561 O ILE A 170 -6.976 -3.811 3.098 1.00 15.53 O ATOM 1562 CB ILE A 170 -8.432 -1.453 1.299 1.00 15.64 C ATOM 1563 CG1 ILE A 170 -8.596 -0.835 -0.091 1.00 17.44 C ATOM 1564 CG2 ILE A 170 -7.390 -0.754 2.160 1.00 15.12 C ATOM 1565 CD1 ILE A 170 -7.362 -0.693 -0.932 1.00 17.97 C ATOM 1566 H ILE A 170 -10.161 -3.144 0.381 1.00 0.00 H ATOM 1567 N VAL A 171 -9.138 -3.750 3.357 1.00 16.00 N ATOM 1568 CA VAL A 171 -9.058 -4.194 4.738 1.00 15.36 C ATOM 1569 C VAL A 171 -8.458 -5.561 4.846 1.00 14.18 C ATOM 1570 O VAL A 171 -7.606 -5.790 5.677 1.00 12.49 O ATOM 1571 CB VAL A 171 -10.461 -4.156 5.395 1.00 15.90 C ATOM 1572 CG1 VAL A 171 -10.443 -4.789 6.774 1.00 16.20 C ATOM 1573 CG2 VAL A 171 -10.930 -2.685 5.489 1.00 16.36 C ATOM 1574 H VAL A 171 -10.065 -3.634 2.900 1.00 0.00 H ATOM 1575 N VAL A 172 -8.923 -6.477 4.016 1.00 13.14 N ATOM 1576 CA VAL A 172 -8.479 -7.849 4.091 1.00 13.63 C ATOM 1577 C VAL A 172 -7.024 -7.975 3.714 1.00 12.61 C ATOM 1578 O VAL A 172 -6.293 -8.708 4.344 1.00 13.37 O ATOM 1579 CB VAL A 172 -9.339 -8.788 3.214 1.00 14.90 C ATOM 1580 CG1 VAL A 172 -8.802 -10.176 3.203 1.00 16.48 C ATOM 1581 CG2 VAL A 172 -10.765 -8.852 3.782 1.00 15.12 C ATOM 1582 H VAL A 172 -9.622 -6.205 3.295 1.00 0.00 H ATOM 1583 N GLN A 173 -6.601 -7.183 2.733 1.00 12.60 N ATOM 1584 CA GLN A 173 -5.195 -7.128 2.341 1.00 11.86 C ATOM 1585 C GLN A 173 -4.259 -6.624 3.494 1.00 12.22 C ATOM 1586 O GLN A 173 -3.181 -7.248 3.669 1.00 11.17 O ATOM 1587 CB GLN A 173 -4.965 -6.329 1.126 1.00 11.34 C ATOM 1588 CG GLN A 173 -5.491 -6.953 -0.191 1.00 11.06 C ATOM 1589 CD GLN A 173 -5.243 -5.979 -1.359 1.00 11.46 C ATOM 1590 OE1 GLN A 173 -4.127 -5.838 -1.855 1.00 11.52 O ATOM 1591 NE2 GLN A 173 -6.272 -5.304 -1.777 1.00 11.41 N ATOM 1592 HE22 GLN A 173 -7.202 -5.448 -1.335 1.00 0.00 H ATOM 1593 HE21 GLN A 173 -6.165 -4.620 -2.553 1.00 0.00 H ATOM 1594 H GLN A 173 -7.290 -6.587 2.231 1.00 0.00 H ATOM 1595 N HIS A 174 -4.685 -5.558 4.198 1.00 11.66 N ATOM 1596 CA HIS A 174 -3.978 -5.051 5.351 1.00 12.93 C ATOM 1597 C HIS A 174 -3.726 -6.175 6.446 1.00 12.67 C ATOM 1598 O HIS A 174 -2.591 -6.390 6.901 1.00 11.89 O ATOM 1599 CB HIS A 174 -4.758 -3.859 5.951 1.00 13.65 C ATOM 1600 CG HIS A 174 -4.135 -3.283 7.180 1.00 15.05 C ATOM 1601 ND1 HIS A 174 -3.646 -2.007 7.229 1.00 15.75 N ATOM 1602 CD2 HIS A 174 -4.011 -3.769 8.436 1.00 15.12 C ATOM 1603 CE1 HIS A 174 -3.147 -1.769 8.427 1.00 16.15 C ATOM 1604 NE2 HIS A 174 -3.375 -2.816 9.175 1.00 15.33 N ATOM 1605 H HIS A 174 -5.559 -5.080 3.899 1.00 0.00 H ATOM 1606 N GLU A 175 -4.789 -6.915 6.802 1.00 12.68 N ATOM 1607 CA GLU A 175 -4.685 -8.077 7.747 1.00 13.33 C ATOM 1608 C GLU A 175 -3.914 -9.277 7.298 1.00 13.27 C ATOM 1609 O GLU A 175 -3.081 -9.780 8.075 1.00 13.09 O ATOM 1610 CB GLU A 175 -6.049 -8.519 8.290 1.00 14.51 C ATOM 1611 CG GLU A 175 -6.864 -7.351 8.849 1.00 16.08 C ATOM 1612 CD GLU A 175 -6.182 -6.526 9.899 1.00 18.08 C ATOM 1613 OE1 GLU A 175 -6.600 -5.329 10.041 1.00 21.39 O ATOM 1614 OE2 GLU A 175 -5.234 -7.031 10.570 1.00 22.91 O ATOM 1615 H GLU A 175 -5.721 -6.674 6.408 1.00 0.00 H ATOM 1616 N ILE A 176 -4.017 -9.675 6.023 1.00 12.41 N ATOM 1617 CA ILE A 176 -3.188 -10.724 5.539 1.00 12.55 C ATOM 1618 C ILE A 176 -1.695 -10.316 5.591 1.00 13.02 C ATOM 1619 O ILE A 176 -0.849 -11.107 5.997 1.00 13.19 O ATOM 1620 CB ILE A 176 -3.636 -11.087 4.122 1.00 13.29 C ATOM 1621 CG1 ILE A 176 -5.005 -11.737 4.135 1.00 13.44 C ATOM 1622 CG2 ILE A 176 -2.655 -12.088 3.535 1.00 13.88 C ATOM 1623 CD1 ILE A 176 -5.648 -12.019 2.794 1.00 13.84 C ATOM 1624 H ILE A 176 -4.702 -9.218 5.388 1.00 0.00 H ATOM 1625 N ASP A 177 -1.388 -9.068 5.271 1.00 12.48 N ATOM 1626 CA ASP A 177 -0.054 -8.573 5.362 1.00 13.39 C ATOM 1627 C ASP A 177 0.519 -8.802 6.763 1.00 13.84 C ATOM 1628 O ASP A 177 1.665 -9.255 6.884 1.00 14.52 O ATOM 1629 CB ASP A 177 0.060 -7.085 5.059 1.00 13.53 C ATOM 1630 CG ASP A 177 0.298 -6.753 3.531 1.00 14.74 C ATOM 1631 OD1 ASP A 177 0.628 -7.686 2.666 1.00 15.23 O ATOM 1632 OD2 ASP A 177 0.142 -5.505 3.244 1.00 15.08 O ATOM 1633 H ASP A 177 -2.142 -8.431 4.944 1.00 0.00 H ATOM 1634 N HIS A 178 -0.275 -8.609 7.797 1.00 13.24 N ATOM 1635 CA HIS A 178 0.286 -8.833 9.121 1.00 13.06 C ATOM 1636 C HIS A 178 0.744 -10.254 9.354 1.00 12.93 C ATOM 1637 O HIS A 178 1.666 -10.474 10.122 1.00 12.31 O ATOM 1638 CB HIS A 178 -0.728 -8.558 10.198 1.00 12.81 C ATOM 1639 CG HIS A 178 -0.851 -7.144 10.579 1.00 12.55 C ATOM 1640 ND1 HIS A 178 0.213 -6.357 10.978 1.00 12.97 N ATOM 1641 CD2 HIS A 178 -1.938 -6.358 10.636 1.00 12.80 C ATOM 1642 CE1 HIS A 178 -0.242 -5.142 11.248 1.00 12.87 C ATOM 1643 NE2 HIS A 178 -1.542 -5.130 11.056 1.00 12.13 N ATOM 1644 H HIS A 178 -1.263 -8.309 7.672 1.00 0.00 H ATOM 1645 N ILE A 179 0.000 -11.245 8.803 1.00 12.59 N ATOM 1646 CA ILE A 179 0.377 -12.644 8.979 1.00 12.71 C ATOM 1647 C ILE A 179 1.536 -13.068 8.096 1.00 12.61 C ATOM 1648 O ILE A 179 2.084 -14.189 8.275 1.00 12.82 O ATOM 1649 CB ILE A 179 -0.819 -13.665 8.896 1.00 12.85 C ATOM 1650 CG1 ILE A 179 -1.526 -13.628 7.553 1.00 12.94 C ATOM 1651 CG2 ILE A 179 -1.777 -13.361 10.007 1.00 13.76 C ATOM 1652 CD1 ILE A 179 -2.420 -14.828 7.320 1.00 13.12 C ATOM 1653 H ILE A 179 -0.847 -11.006 8.250 1.00 0.00 H ATOM 1654 N ASP A 180 1.926 -12.230 7.136 1.00 13.16 N ATOM 1655 CA ASP A 180 3.159 -12.389 6.387 1.00 14.36 C ATOM 1656 C ASP A 180 4.321 -11.502 6.869 1.00 13.16 C ATOM 1657 O ASP A 180 5.394 -11.505 6.309 1.00 11.11 O ATOM 1658 CB ASP A 180 2.939 -12.165 4.891 1.00 16.20 C ATOM 1659 CG ASP A 180 2.047 -13.218 4.312 1.00 18.57 C ATOM 1660 OD1 ASP A 180 2.010 -14.367 4.804 1.00 19.34 O ATOM 1661 OD2 ASP A 180 1.406 -12.898 3.302 1.00 23.81 O ATOM 1662 H ASP A 180 1.315 -11.419 6.912 1.00 0.00 H ATOM 1663 N GLY A 181 4.114 -10.772 7.934 1.00 13.67 N ATOM 1664 CA GLY A 181 5.203 -9.860 8.506 1.00 13.73 C ATOM 1665 C GLY A 181 5.418 -8.573 7.751 1.00 13.75 C ATOM 1666 O GLY A 181 6.476 -7.984 7.761 1.00 13.31 O ATOM 1667 H GLY A 181 3.187 -10.812 8.404 1.00 0.00 H ATOM 1668 N ILE A 182 4.366 -8.109 7.117 1.00 14.40 N ATOM 1669 CA ILE A 182 4.375 -6.858 6.371 1.00 16.17 C ATOM 1670 C ILE A 182 3.471 -5.768 7.056 1.00 15.82 C ATOM 1671 O ILE A 182 2.419 -6.071 7.516 1.00 14.35 O ATOM 1672 CB ILE A 182 3.850 -7.161 4.938 1.00 16.64 C ATOM 1673 CG1 ILE A 182 4.826 -8.083 4.250 1.00 18.45 C ATOM 1674 CG2 ILE A 182 3.743 -5.874 4.164 1.00 17.08 C ATOM 1675 CD1 ILE A 182 4.267 -8.827 3.067 1.00 20.47 C ATOM 1676 H ILE A 182 3.485 -8.661 7.149 1.00 0.00 H ATOM 1677 N MET A 183 3.979 -4.536 7.105 1.00 16.50 N ATOM 1678 CA MET A 183 3.400 -3.312 7.723 1.00 16.61 C ATOM 1679 C MET A 183 2.951 -2.439 6.632 1.00 15.44 C ATOM 1680 O MET A 183 3.565 -2.397 5.545 1.00 15.16 O ATOM 1681 CB MET A 183 4.502 -2.579 8.516 1.00 18.79 C ATOM 1682 CG MET A 183 5.050 -3.430 9.646 1.00 20.14 C ATOM 1683 SD MET A 183 3.869 -3.789 10.982 1.00 23.99 S ATOM 1684 CE MET A 183 3.568 -2.124 11.618 1.00 22.08 C ATOM 1685 H MET A 183 4.906 -4.414 6.649 1.00 0.00 H ATOM 1686 N PHE A 184 1.917 -1.671 6.902 1.00 14.83 N ATOM 1687 CA PHE A 184 1.305 -0.804 5.873 1.00 14.71 C ATOM 1688 C PHE A 184 2.254 0.143 5.197 1.00 15.32 C ATOM 1689 O PHE A 184 2.209 0.356 3.941 1.00 14.52 O ATOM 1690 CB PHE A 184 0.028 -0.052 6.401 1.00 15.08 C ATOM 1691 CG PHE A 184 0.296 1.082 7.368 1.00 15.53 C ATOM 1692 CD1 PHE A 184 0.315 2.335 6.938 1.00 15.36 C ATOM 1693 CD2 PHE A 184 0.507 0.851 8.719 1.00 16.07 C ATOM 1694 CE1 PHE A 184 0.515 3.382 7.802 1.00 16.07 C ATOM 1695 CE2 PHE A 184 0.794 1.901 9.594 1.00 16.41 C ATOM 1696 CZ PHE A 184 0.754 3.167 9.127 1.00 16.05 C ATOM 1697 H PHE A 184 1.520 -1.674 7.863 1.00 0.00 H ATOM 1698 N TYR A 185 3.108 0.755 6.008 1.00 15.23 N ATOM 1699 CA TYR A 185 4.083 1.723 5.427 1.00 15.98 C ATOM 1700 C TYR A 185 5.140 1.142 4.464 1.00 15.83 C ATOM 1701 O TYR A 185 5.845 1.875 3.728 1.00 16.01 O ATOM 1702 CB TYR A 185 4.746 2.600 6.543 1.00 15.58 C ATOM 1703 CG TYR A 185 5.318 1.844 7.713 1.00 15.25 C ATOM 1704 CD1 TYR A 185 4.724 1.933 8.949 1.00 15.73 C ATOM 1705 CD2 TYR A 185 6.435 1.089 7.587 1.00 15.68 C ATOM 1706 CE1 TYR A 185 5.191 1.242 10.021 1.00 16.36 C ATOM 1707 CE2 TYR A 185 6.944 0.393 8.640 1.00 16.38 C ATOM 1708 CZ TYR A 185 6.296 0.456 9.872 1.00 17.00 C ATOM 1709 OH TYR A 185 6.801 -0.207 10.990 1.00 18.28 O ATOM 1710 HH TYR A 185 6.207 -0.044 11.765 1.00 0.00 H ATOM 1711 H TYR A 185 3.098 0.563 7.030 1.00 0.00 H ATOM 1712 N ASP A 186 5.297 -0.168 4.461 1.00 16.93 N ATOM 1713 CA ASP A 186 6.122 -0.850 3.431 1.00 17.28 C ATOM 1714 C ASP A 186 5.564 -0.661 1.980 1.00 17.34 C ATOM 1715 O ASP A 186 6.352 -0.883 1.048 1.00 18.06 O ATOM 1716 CB ASP A 186 6.255 -2.371 3.669 1.00 16.83 C ATOM 1717 CG ASP A 186 6.821 -2.756 5.081 1.00 16.66 C ATOM 1718 OD1 ASP A 186 7.557 -1.999 5.782 1.00 15.40 O ATOM 1719 OD2 ASP A 186 6.568 -3.930 5.435 1.00 15.11 O ATOM 1720 H ASP A 186 4.832 -0.737 5.197 1.00 0.00 H ATOM 1721 N ARG A 187 4.287 -0.295 1.821 1.00 16.46 N ATOM 1722 CA ARG A 187 3.590 -0.111 0.518 1.00 17.42 C ATOM 1723 C ARG A 187 3.361 1.392 0.246 1.00 17.72 C ATOM 1724 O ARG A 187 2.633 1.737 -0.663 1.00 17.07 O ATOM 1725 CB ARG A 187 2.233 -0.953 0.414 1.00 18.04 C ATOM 1726 CG ARG A 187 2.354 -2.436 0.812 1.00 19.22 C ATOM 1727 CD ARG A 187 1.158 -3.459 1.019 1.00 21.93 C ATOM 1728 NE ARG A 187 1.500 -4.376 0.073 1.00 24.25 N ATOM 1729 CZ ARG A 187 2.190 -5.477 -0.032 1.00 22.53 C ATOM 1730 NH1 ARG A 187 2.066 -6.647 0.607 1.00 19.97 N ATOM 1731 NH2 ARG A 187 2.765 -5.409 -1.227 1.00 22.09 N ATOM 1732 HE ARG A 187 1.084 -4.121 -0.845 1.00 0.00 H ATOM 1733 HH12 ARG A 187 2.717 -7.429 0.391 1.00 0.00 H ATOM 1734 HH11 ARG A 187 1.319 -6.774 1.319 1.00 0.00 H ATOM 1735 HH22 ARG A 187 3.379 -6.182 -1.553 1.00 0.00 H ATOM 1736 HH21 ARG A 187 2.601 -4.583 -1.837 1.00 0.00 H ATOM 1737 H ARG A 187 3.732 -0.124 2.684 1.00 0.00 H ATOM 1738 N ILE A 188 4.034 2.276 1.001 1.00 18.05 N ATOM 1739 CA ILE A 188 4.054 3.718 0.750 1.00 18.52 C ATOM 1740 C ILE A 188 5.354 4.108 0.003 1.00 19.18 C ATOM 1741 O ILE A 188 6.472 3.779 0.475 1.00 18.23 O ATOM 1742 CB ILE A 188 3.899 4.569 2.048 1.00 17.93 C ATOM 1743 CG1 ILE A 188 2.560 4.366 2.689 1.00 17.95 C ATOM 1744 CG2 ILE A 188 3.992 6.038 1.703 1.00 18.71 C ATOM 1745 CD1 ILE A 188 2.419 4.902 4.141 1.00 18.06 C ATOM 1746 H ILE A 188 4.574 1.914 1.813 1.00 0.00 H ATOM 1747 N ASN A 189 5.180 4.854 -1.106 1.00 19.40 N ATOM 1748 CA ASN A 189 6.306 5.268 -1.917 1.00 21.98 C ATOM 1749 C ASN A 189 7.359 5.978 -1.112 1.00 23.57 C ATOM 1750 O ASN A 189 7.056 6.820 -0.284 1.00 23.26 O ATOM 1751 CB ASN A 189 5.834 6.208 -2.963 1.00 24.08 C ATOM 1752 CG ASN A 189 6.955 6.712 -3.894 1.00 25.20 C ATOM 1753 OD1 ASN A 189 7.845 7.506 -3.534 1.00 25.32 O ATOM 1754 ND2 ASN A 189 6.839 6.318 -5.093 1.00 25.96 N ATOM 1755 HD22 ASN A 189 6.081 5.654 -5.351 1.00 0.00 H ATOM 1756 HD21 ASN A 189 7.502 6.659 -5.819 1.00 0.00 H ATOM 1757 H ASN A 189 4.219 5.138 -1.385 1.00 0.00 H ATOM 1758 N GLU A 190 8.609 5.657 -1.355 1.00 25.95 N ATOM 1759 CA GLU A 190 9.669 6.061 -0.400 1.00 29.02 C ATOM 1760 C GLU A 190 10.054 7.524 -0.568 1.00 32.51 C ATOM 1761 O GLU A 190 10.482 8.136 0.421 1.00 37.79 O ATOM 1762 CB GLU A 190 10.951 5.181 -0.494 1.00 28.47 C ATOM 1763 CG GLU A 190 10.710 3.671 -0.181 1.00 30.19 C ATOM 1764 CD GLU A 190 10.193 3.353 1.229 1.00 27.57 C ATOM 1765 OE1 GLU A 190 10.387 4.132 2.159 1.00 27.02 O ATOM 1766 OE2 GLU A 190 9.592 2.296 1.437 1.00 29.26 O ATOM 1767 H GLU A 190 8.854 5.122 -2.213 1.00 0.00 H ATOM 1768 N LYS A 191 9.964 8.054 -1.779 1.00 32.71 N ATOM 1769 CA LYS A 191 10.395 9.431 -2.035 1.00 35.32 C ATOM 1770 C LYS A 191 9.236 10.439 -2.032 1.00 33.82 C ATOM 1771 O LYS A 191 9.456 11.538 -1.596 1.00 35.71 O ATOM 1772 CB LYS A 191 11.244 9.544 -3.309 1.00 34.16 C ATOM 1773 H LYS A 191 9.581 7.484 -2.560 1.00 0.00 H ATOM 1774 N ASN A 192 8.056 10.114 -2.549 1.00 31.55 N ATOM 1775 CA ASN A 192 6.878 10.982 -2.385 1.00 29.59 C ATOM 1776 C ASN A 192 5.666 10.163 -1.932 1.00 26.87 C ATOM 1777 O ASN A 192 5.020 9.493 -2.750 1.00 24.87 O ATOM 1778 CB ASN A 192 6.533 11.645 -3.699 1.00 33.01 C ATOM 1779 CG ASN A 192 5.261 12.551 -3.614 1.00 36.61 C ATOM 1780 OD1 ASN A 192 4.682 12.877 -2.541 1.00 35.03 O ATOM 1781 ND2 ASN A 192 4.823 12.975 -4.804 1.00 40.88 N ATOM 1782 HD22 ASN A 192 5.320 12.691 -5.672 1.00 0.00 H ATOM 1783 HD21 ASN A 192 3.986 13.589 -4.861 1.00 0.00 H ATOM 1784 H ASN A 192 7.962 9.226 -3.082 1.00 0.00 H ATOM 1785 N PRO A 193 5.329 10.222 -0.649 1.00 25.56 N ATOM 1786 CA PRO A 193 4.163 9.448 -0.110 1.00 25.37 C ATOM 1787 C PRO A 193 2.861 9.581 -0.863 1.00 24.68 C ATOM 1788 O PRO A 193 2.016 8.663 -0.826 1.00 23.76 O ATOM 1789 CB PRO A 193 3.980 9.995 1.312 1.00 24.88 C ATOM 1790 CG PRO A 193 5.348 10.477 1.666 1.00 26.32 C ATOM 1791 CD PRO A 193 6.080 10.899 0.412 1.00 25.49 C ATOM 1792 N PHE A 194 2.675 10.730 -1.509 1.00 24.95 N ATOM 1793 CA PHE A 194 1.467 11.008 -2.277 1.00 25.46 C ATOM 1794 C PHE A 194 1.621 10.825 -3.738 1.00 25.18 C ATOM 1795 O PHE A 194 0.750 11.240 -4.468 1.00 26.42 O ATOM 1796 CB PHE A 194 0.829 12.394 -1.917 1.00 25.69 C ATOM 1797 CG PHE A 194 0.354 12.433 -0.481 1.00 25.70 C ATOM 1798 CD1 PHE A 194 -0.791 11.696 -0.085 1.00 25.94 C ATOM 1799 CD2 PHE A 194 1.105 13.047 0.510 1.00 25.79 C ATOM 1800 CE1 PHE A 194 -1.190 11.619 1.233 1.00 24.89 C ATOM 1801 CE2 PHE A 194 0.658 13.005 1.861 1.00 25.44 C ATOM 1802 CZ PHE A 194 -0.484 12.277 2.213 1.00 24.22 C ATOM 1803 H PHE A 194 3.418 11.456 -1.464 1.00 0.00 H ATOM 1804 N ALA A 195 2.646 10.129 -4.193 1.00 25.71 N ATOM 1805 CA ALA A 195 2.785 9.909 -5.651 1.00 26.27 C ATOM 1806 C ALA A 195 1.624 9.052 -6.221 1.00 29.00 C ATOM 1807 O ALA A 195 1.164 8.107 -5.579 1.00 28.12 O ATOM 1808 CB ALA A 195 4.075 9.222 -5.958 1.00 25.80 C ATOM 1809 H ALA A 195 3.349 9.739 -3.534 1.00 0.00 H ATOM 1810 N VAL A 196 1.241 9.324 -7.462 1.00 29.09 N ATOM 1811 CA VAL A 196 0.106 8.670 -8.060 1.00 30.74 C ATOM 1812 C VAL A 196 0.528 8.146 -9.401 1.00 31.20 C ATOM 1813 O VAL A 196 0.668 8.919 -10.314 1.00 31.41 O ATOM 1814 CB VAL A 196 -1.067 9.638 -8.182 1.00 32.23 C ATOM 1815 CG1 VAL A 196 -2.182 9.025 -9.016 1.00 33.89 C ATOM 1816 CG2 VAL A 196 -1.563 10.036 -6.799 1.00 33.34 C ATOM 1817 H VAL A 196 1.773 10.026 -8.016 1.00 0.00 H ATOM 1818 N LYS A 197 0.806 6.855 -9.522 1.00 31.83 N ATOM 1819 CA LYS A 197 1.060 6.277 -10.830 1.00 33.68 C ATOM 1820 C LYS A 197 -0.277 6.164 -11.584 1.00 31.15 C ATOM 1821 O LYS A 197 -1.326 5.905 -10.993 1.00 32.07 O ATOM 1822 CB LYS A 197 1.761 4.952 -10.669 1.00 39.37 C ATOM 1823 CG LYS A 197 2.412 4.455 -11.949 1.00 47.01 C ATOM 1824 CD LYS A 197 3.329 3.245 -11.710 1.00 53.84 C ATOM 1825 CE LYS A 197 2.627 2.172 -10.852 1.00 57.41 C ATOM 1826 NZ LYS A 197 3.023 0.764 -11.130 1.00 61.06 N ATOM 1827 HZ1 LYS A 197 2.807 0.534 -12.121 1.00 0.00 H ATOM 1828 HZ2 LYS A 197 4.043 0.652 -10.961 1.00 0.00 H ATOM 1829 HZ3 LYS A 197 2.494 0.126 -10.501 1.00 0.00 H ATOM 1830 H LYS A 197 0.842 6.253 -8.675 1.00 0.00 H ATOM 1831 N GLU A 198 -0.263 6.440 -12.882 1.00 29.50 N ATOM 1832 CA GLU A 198 -1.483 6.677 -13.638 1.00 28.68 C ATOM 1833 C GLU A 198 -2.291 5.377 -13.615 1.00 25.21 C ATOM 1834 O GLU A 198 -1.752 4.280 -13.781 1.00 24.91 O ATOM 1835 CB GLU A 198 -1.108 7.032 -15.078 1.00 30.70 C ATOM 1836 CG GLU A 198 -2.228 7.383 -16.006 1.00 31.21 C ATOM 1837 CD GLU A 198 -1.727 7.536 -17.467 1.00 30.98 C ATOM 1838 OE1 GLU A 198 -0.963 6.668 -17.999 1.00 28.39 O ATOM 1839 OE2 GLU A 198 -2.065 8.557 -18.049 1.00 31.76 O ATOM 1840 H GLU A 198 0.651 6.488 -13.375 1.00 0.00 H ATOM 1841 N GLY A 199 -3.552 5.534 -13.333 1.00 23.59 N ATOM 1842 CA GLY A 199 -4.461 4.396 -13.230 1.00 24.34 C ATOM 1843 C GLY A 199 -4.731 3.914 -11.804 1.00 23.60 C ATOM 1844 O GLY A 199 -5.620 3.081 -11.601 1.00 23.53 O ATOM 1845 H GLY A 199 -3.921 6.494 -13.177 1.00 0.00 H ATOM 1846 N LEU A 200 -4.036 4.490 -10.816 1.00 22.36 N ATOM 1847 CA LEU A 200 -4.330 4.172 -9.435 1.00 22.51 C ATOM 1848 C LEU A 200 -5.728 4.556 -9.090 1.00 23.11 C ATOM 1849 O LEU A 200 -6.118 5.656 -9.261 1.00 24.68 O ATOM 1850 CB LEU A 200 -3.378 4.905 -8.523 1.00 22.63 C ATOM 1851 CG LEU A 200 -3.538 4.784 -7.015 1.00 22.67 C ATOM 1852 CD1 LEU A 200 -3.356 3.364 -6.614 1.00 22.01 C ATOM 1853 CD2 LEU A 200 -2.511 5.625 -6.265 1.00 23.44 C ATOM 1854 H LEU A 200 -3.281 5.169 -11.042 1.00 0.00 H ATOM 1855 N LEU A 201 -6.483 3.642 -8.542 1.00 23.82 N ATOM 1856 CA LEU A 201 -7.773 3.960 -8.060 1.00 23.71 C ATOM 1857 C LEU A 201 -7.718 4.544 -6.646 1.00 24.49 C ATOM 1858 O LEU A 201 -7.384 3.842 -5.683 1.00 25.15 O ATOM 1859 CB LEU A 201 -8.607 2.694 -8.153 1.00 24.35 C ATOM 1860 CG LEU A 201 -10.068 2.843 -7.921 1.00 26.79 C ATOM 1861 CD1 LEU A 201 -10.735 3.705 -9.016 1.00 27.07 C ATOM 1862 CD2 LEU A 201 -10.703 1.465 -7.913 1.00 28.88 C ATOM 1863 H LEU A 201 -6.130 2.667 -8.459 1.00 0.00 H ATOM 1864 N ILE A 202 -8.118 5.799 -6.468 1.00 24.37 N ATOM 1865 CA ILE A 202 -8.111 6.416 -5.132 1.00 26.32 C ATOM 1866 C ILE A 202 -9.509 6.285 -4.531 1.00 28.83 C ATOM 1867 O ILE A 202 -10.467 6.762 -5.128 1.00 29.13 O ATOM 1868 CB ILE A 202 -7.581 7.849 -5.252 1.00 28.06 C ATOM 1869 CG1 ILE A 202 -6.126 7.750 -5.749 1.00 28.39 C ATOM 1870 CG2 ILE A 202 -7.663 8.578 -3.922 1.00 29.23 C ATOM 1871 CD1 ILE A 202 -5.410 9.052 -5.773 1.00 31.16 C ATOM 1872 H ILE A 202 -8.441 6.354 -7.286 1.00 0.00 H ATOM 1873 N LEU A 203 -9.633 5.577 -3.412 1.00 27.81 N ATOM 1874 CA LEU A 203 -10.910 5.343 -2.723 1.00 30.21 C ATOM 1875 C LEU A 203 -11.250 6.395 -1.634 1.00 34.96 C ATOM 1876 O LEU A 203 -10.439 6.673 -0.761 1.00 35.18 O ATOM 1877 CB LEU A 203 -10.907 3.947 -2.107 1.00 28.96 C ATOM 1878 CG LEU A 203 -10.559 2.825 -3.091 1.00 28.23 C ATOM 1879 CD1 LEU A 203 -10.255 1.487 -2.498 1.00 27.87 C ATOM 1880 CD2 LEU A 203 -11.687 2.686 -4.079 1.00 29.36 C ATOM 1881 H LEU A 203 -8.773 5.163 -2.999 1.00 0.00 H ATOM 1882 N GLU A 204 -12.468 6.933 -1.648 1.00 40.81 N ATOM 1883 CA GLU A 204 -12.832 8.146 -0.836 1.00 50.53 C ATOM 1884 C GLU A 204 -13.224 8.048 0.650 1.00 51.32 C ATOM 1885 O GLU A 204 -13.113 6.993 1.254 1.00 60.72 O ATOM 1886 CB GLU A 204 -13.911 8.959 -1.575 1.00 54.77 C ATOM 1887 CG GLU A 204 -13.350 9.723 -2.773 1.00 60.27 C ATOM 1888 CD GLU A 204 -12.089 10.571 -2.461 1.00 67.45 C ATOM 1889 OE1 GLU A 204 -12.034 11.237 -1.392 1.00 73.18 O ATOM 1890 OE2 GLU A 204 -11.144 10.584 -3.300 1.00 69.48 O ATOM 1891 OXT GLU A 204 -12.868 8.780 1.363 1.00 98.92 O ATOM 1892 H GLU A 204 -13.199 6.496 -2.246 1.00 0.00 H TER 1893 GLU A 204 HETATM 1894 ZN ZN A 1 -2.869 -3.423 11.117 1.00 18.76 ZN HETATM 1895 ZN ZN A 2 -19.532 -7.343 24.721 1.00 26.08 ZN HETATM 1896 ZN ZN A 3 0.210 -11.450 -8.370 1.00 29.22 ZN HETATM 1897 ZN ZN A 4 9.449 3.869 3.728 1.00 21.35 ZN HETATM 1898 ZN ZN A 5 -0.297 -9.179 -3.619 1.00 18.24 ZN HETATM 1899 ZN ZN A 6 -5.823 -7.728 28.427 1.00 55.11 ZN HETATM 1900 ZN ZN A 7 -16.888 -21.301 20.520 1.00 55.86 ZN HETATM 1901 ZN ZN A 8 -7.709 -22.585 -4.796 1.00 34.83 ZN HETATM 1902 ZN ZN A 9 4.748 -25.040 9.616 1.00 59.02 ZN HETATM 1903 O HOH 10 6.721 -11.776 22.547 1.00 26.72 O HETATM 1904 O HOH 11 -15.269 -16.798 9.048 1.00 39.56 O HETATM 1905 O HOH 12 -28.517 8.100 13.710 1.00 43.57 O HETATM 1906 O HOH 13 -19.090 -23.108 7.935 1.00 26.39 O HETATM 1907 O HOH 14 6.122 -25.382 11.453 1.00 32.13 O HETATM 1908 O HOH 15 -6.246 -21.733 0.072 1.00 38.11 O HETATM 1909 O HOH 16 -5.063 -26.560 15.451 1.00 41.07 O HETATM 1910 O HOH 17 -26.077 -9.958 1.868 1.00 29.16 O HETATM 1911 O HOH 18 -2.471 -4.767 -8.455 1.00 17.55 O HETATM 1912 O HOH 19 -20.382 -3.043 15.176 1.00 35.54 O HETATM 1913 O HOH 20 -0.747 13.130 -5.062 1.00 41.54 O HETATM 1914 O HOH 21 -14.715 -26.355 20.551 1.00 37.55 O HETATM 1915 O HOH 22 -31.360 0.170 2.850 1.00 33.38 O HETATM 1916 O HOH 23 -8.206 -6.817 29.344 1.00 38.20 O HETATM 1917 O HOH 24 -0.645 -11.357 -0.104 1.00 28.58 O HETATM 1918 O HOH 25 8.116 2.485 4.678 1.00 17.48 O HETATM 1919 O HOH 26 8.448 -2.050 11.560 1.00 27.95 O HETATM 1920 O HOH 27 -4.781 -5.671 28.727 1.00 41.58 O HETATM 1921 O HOH 28 -19.408 -16.152 7.438 1.00 39.00 O HETATM 1922 O HOH 29 -6.136 -3.694 30.606 1.00 30.42 O HETATM 1923 O HOH 30 2.055 5.964 -4.500 1.00 22.77 O HETATM 1924 O HOH 31 7.521 4.643 2.646 1.00 22.41 O HETATM 1925 O HOH 32 0.051 -3.758 5.132 1.00 15.61 O HETATM 1926 O HOH 33 3.782 -13.445 13.660 1.00 13.71 O HETATM 1927 O HOH 34 -5.467 -29.866 14.489 1.00 37.47 O HETATM 1928 O HOH 35 2.989 -16.414 3.514 1.00 16.40 O HETATM 1929 O HOH 36 -28.777 -2.828 10.194 1.00 32.45 O HETATM 1930 O HOH 37 3.144 -12.589 11.173 1.00 15.97 O HETATM 1931 O HOH 38 -5.289 -21.007 2.595 1.00 25.04 O HETATM 1932 O HOH 39 -17.865 -9.946 -2.388 1.00 40.41 O HETATM 1933 O HOH 40 -20.408 -2.870 17.897 1.00 18.91 O HETATM 1934 O HOH 41 -4.674 7.847 -12.794 1.00 45.75 O HETATM 1935 O HOH 42 -13.113 -18.696 16.168 1.00 19.33 O HETATM 1936 O HOH 43 -16.943 -13.355 19.110 1.00 26.42 O HETATM 1937 O HOH 44 9.163 0.040 5.335 1.00 12.99 O HETATM 1938 O HOH 45 3.077 -19.877 16.114 1.00 27.04 O HETATM 1939 O HOH 46 2.485 5.955 -1.950 1.00 15.50 O HETATM 1940 O HOH 47 -12.378 -9.601 23.443 1.00 14.41 O HETATM 1941 O HOH 48 -7.381 -26.583 -0.737 1.00 32.88 O HETATM 1942 O HOH 49 -10.518 -28.196 6.537 1.00 33.95 O HETATM 1943 O HOH 50 -17.637 -24.164 1.410 1.00 22.74 O HETATM 1944 O HOH 51 8.501 -5.233 14.520 1.00 28.69 O HETATM 1945 O HOH 52 -17.730 -17.479 5.900 1.00 44.23 O HETATM 1946 O HOH 53 -1.258 -10.049 23.867 1.00 30.83 O HETATM 1947 O HOH 54 -11.790 -12.524 -11.930 1.00 46.24 O HETATM 1948 O HOH 55 -2.865 -25.105 14.719 1.00 34.36 O HETATM 1949 O HOH 56 0.814 -10.320 2.113 1.00 17.77 O HETATM 1950 O HOH 57 -22.592 -10.137 8.740 1.00 35.81 O HETATM 1951 O HOH 58 11.011 -10.860 13.473 1.00 24.30 O HETATM 1952 O HOH 59 -34.382 7.377 2.803 1.00 21.43 O HETATM 1953 O HOH 60 -10.880 -20.576 28.158 1.00 45.65 O HETATM 1954 O HOH 61 -4.300 -21.971 29.382 1.00 46.34 O HETATM 1955 O HOH 62 -4.830 1.987 1.089 1.00 15.36 O HETATM 1956 O HOH 63 -19.290 -19.865 1.704 1.00 47.06 O HETATM 1957 O HOH 64 -24.033 -1.432 11.113 1.00 34.34 O HETATM 1958 O HOH 65 -0.148 5.828 11.774 1.00 39.13 O HETATM 1959 O HOH 66 -1.322 6.627 9.886 1.00 29.94 O HETATM 1960 O HOH 67 -12.166 -27.002 13.622 1.00 24.01 O HETATM 1961 O HOH 68 2.530 -7.796 11.219 1.00 27.50 O HETATM 1962 O HOH 69 2.890 -19.917 7.081 1.00 19.73 O HETATM 1963 O HOH 70 5.824 -18.029 13.246 1.00 27.90 O HETATM 1964 O HOH 71 -29.544 6.757 14.514 1.00 30.48 O HETATM 1965 O HOH 72 -3.892 4.732 1.510 1.00 16.07 O HETATM 1966 O HOH 73 5.147 7.866 4.918 1.00 26.41 O HETATM 1967 O HOH 74 -4.216 -23.505 4.235 1.00 40.50 O HETATM 1968 O HOH 75 -3.405 -9.896 -12.218 1.00 31.38 O HETATM 1969 O HOH 76 -9.859 12.460 1.706 1.00 51.12 O HETATM 1970 O HOH 77 -1.812 -13.752 0.270 1.00 16.44 O HETATM 1971 O HOH 78 5.980 -9.486 23.179 1.00 40.97 O HETATM 1972 O HOH 79 -34.152 8.923 12.062 1.00 36.30 O HETATM 1973 O HOH 80 -2.664 -18.583 4.861 1.00 22.12 O HETATM 1974 O HOH 81 -5.895 -13.056 31.437 1.00 44.74 O HETATM 1975 O HOH 82 -3.353 -24.197 20.408 1.00 35.95 O HETATM 1976 O HOH 83 -12.888 -6.812 23.941 1.00 17.29 O HETATM 1977 O HOH 84 -10.235 -1.548 -3.719 1.00 30.81 O HETATM 1978 O HOH 85 5.906 6.450 18.425 1.00 48.59 O HETATM 1979 O HOH 86 1.779 -24.992 11.067 1.00 43.26 O HETATM 1980 O HOH 87 -19.515 -2.380 33.497 1.00 25.11 O HETATM 1981 O HOH 88 4.912 3.401 17.008 1.00 26.36 O HETATM 1982 O HOH 89 -1.039 6.412 5.267 1.00 19.48 O HETATM 1983 O HOH 90 -12.533 -2.047 -8.338 1.00 24.06 O HETATM 1984 O HOH 91 0.224 -2.598 8.949 1.00 14.80 O HETATM 1985 O HOH 92 10.522 -3.533 11.118 1.00 43.62 O HETATM 1986 O HOH 93 -27.985 2.919 4.576 1.00 33.03 O HETATM 1987 O HOH 94 -4.073 -26.626 7.737 1.00 37.23 O HETATM 1988 O HOH 95 -3.410 0.882 -11.026 1.00 22.69 O HETATM 1989 O HOH 96 -1.792 -4.910 -0.465 1.00 12.89 O HETATM 1990 O HOH 97 -15.319 -17.064 23.405 1.00 41.69 O HETATM 1991 O HOH 98 -11.979 11.497 3.268 1.00 52.08 O HETATM 1992 O HOH 99 -7.436 -0.455 26.241 1.00 25.36 O HETATM 1993 O HOH 100 -10.445 7.102 2.215 1.00 43.96 O HETATM 1994 O HOH 101 -11.875 -1.333 -5.655 1.00 23.57 O HETATM 1995 O HOH 102 -14.770 -23.083 22.400 1.00 53.30 O HETATM 1996 O HOH 103 -16.587 -25.602 18.855 1.00 47.33 O HETATM 1997 O HOH 104 -14.620 -18.590 11.619 1.00 16.75 O HETATM 1998 O HOH 105 8.108 -11.131 20.787 1.00 35.47 O HETATM 1999 O HOH 106 -1.315 4.287 13.204 1.00 22.46 O HETATM 2000 O HOH 107 -15.746 0.537 -0.861 1.00 29.29 O HETATM 2001 O HOH 108 -8.228 -28.196 22.345 1.00 37.71 O HETATM 2002 O HOH 109 -1.161 9.122 -20.715 1.00 26.37 O HETATM 2003 O HOH 110 -6.994 -19.606 29.588 1.00 42.50 O HETATM 2004 O HOH 111 -10.758 -8.274 31.000 1.00 26.72 O HETATM 2005 O HOH 112 -15.439 -17.407 15.870 1.00 33.88 O HETATM 2006 O HOH 113 -0.244 -4.956 7.767 1.00 17.73 O HETATM 2007 O HOH 114 9.154 3.622 -3.347 1.00 28.71 O HETATM 2008 O HOH 115 -9.361 -1.696 29.241 1.00 34.25 O HETATM 2009 O HOH 116 -16.258 -20.649 23.088 1.00 47.57 O HETATM 2010 O HOH 117 1.250 -20.445 3.651 1.00 32.56 O HETATM 2011 O HOH 118 -6.257 2.588 26.012 1.00 39.13 O HETATM 2012 O HOH 119 2.110 7.723 -13.994 1.00 46.03 O HETATM 2013 O HOH 120 0.122 6.227 -20.674 1.00 27.37 O HETATM 2014 O HOH 121 -17.398 -1.614 2.772 1.00 36.66 O HETATM 2015 O HOH 122 3.335 -17.395 18.861 1.00 30.24 O HETATM 2016 O HOH 123 0.705 3.247 -14.997 1.00 38.63 O HETATM 2017 O HOH 124 -0.666 -14.826 2.543 1.00 21.47 O HETATM 2018 O HOH 125 -7.109 -4.368 -13.726 1.00 16.53 O HETATM 2019 O HOH 126 -0.553 -0.977 22.764 1.00 39.31 O HETATM 2020 O HOH 127 -2.562 -18.474 -6.583 1.00 31.89 O HETATM 2021 O HOH 128 -13.758 7.239 30.588 1.00 21.78 O HETATM 2022 O HOH 129 -12.303 -29.364 11.243 1.00 41.97 O HETATM 2023 O HOH 130 -2.123 10.213 4.491 1.00 26.71 O HETATM 2024 O HOH 131 2.987 -22.536 8.205 1.00 23.42 O HETATM 2025 O HOH 132 0.560 4.834 -7.345 1.00 31.47 O HETATM 2026 O HOH 133 1.723 -3.864 24.798 1.00 47.48 O HETATM 2027 O HOH 134 -27.446 -7.552 9.426 1.00 38.54 O HETATM 2028 O HOH 135 -16.225 -6.333 -1.908 1.00 14.71 O HETATM 2029 O HOH 136 -12.738 -24.743 28.553 1.00 47.18 O HETATM 2030 O HOH 137 -2.526 3.709 16.883 1.00 32.04 O HETATM 2031 O HOH 138 -5.852 -25.125 6.139 1.00 31.09 O HETATM 2032 O HOH 139 -16.113 -2.692 0.108 1.00 24.54 O HETATM 2033 O HOH 140 -0.491 -22.542 14.328 1.00 35.23 O HETATM 2034 O HOH 141 -5.282 -28.921 8.573 1.00 30.70 O HETATM 2035 O HOH 142 -9.454 7.256 -8.760 1.00 34.78 O HETATM 2036 O HOH 143 -10.234 -7.719 -11.938 1.00 39.26 O HETATM 2037 O HOH 144 -23.928 1.529 3.743 1.00 36.67 O HETATM 2038 O HOH 145 -15.033 -27.052 2.604 1.00 30.98 O HETATM 2039 O HOH 146 -17.288 -13.952 -4.530 1.00 16.14 O HETATM 2040 O HOH 147 9.144 -16.213 10.284 1.00 24.31 O HETATM 2041 O HOH 148 -6.250 -7.981 30.978 1.00 38.29 O HETATM 2042 O HOH 149 -17.059 -20.156 -1.119 1.00 28.75 O HETATM 2043 O HOH 150 -12.517 5.263 3.697 1.00 43.92 O HETATM 2044 O HOH 151 -20.572 -14.079 9.437 1.00 52.38 O HETATM 2045 O HOH 152 -10.963 -25.927 -3.825 1.00 40.78 O HETATM 2046 O HOH 153 -2.427 8.840 6.893 1.00 39.67 O HETATM 2047 O HOH 154 -0.033 2.276 -8.658 1.00 35.51 O HETATM 2048 O HOH 155 7.532 -5.800 3.190 1.00 31.96 O HETATM 2049 O HOH 156 5.414 -4.917 22.140 1.00 22.10 O HETATM 2050 O HOH 157 -11.166 -19.729 31.427 1.00 36.57 O HETATM 2051 O HOH 158 4.098 5.035 -5.744 1.00 45.69 O HETATM 2052 O HOH 159 -0.564 -15.461 -1.621 1.00 47.31 O HETATM 2053 O HOH 160 -16.636 -16.199 10.935 1.00 34.56 O HETATM 2054 O HOH 161 -0.049 -23.990 27.875 1.00 50.65 O HETATM 2055 O HOH 162 -19.047 -16.140 9.506 1.00 37.69 O HETATM 2056 O HOH 163 0.498 -11.151 -10.441 1.00 26.45 O HETATM 2057 O HOH 164 -9.499 -10.819 -8.314 1.00 19.91 O HETATM 2058 O HOH 165 -10.105 -23.995 -4.940 1.00 32.99 O HETATM 2059 O HOH 166 -24.728 -8.067 8.291 1.00 27.89 O HETATM 2060 O HOH 167 -19.439 -11.381 5.577 1.00 27.17 O HETATM 2061 O HOH 168 1.147 -17.824 23.188 1.00 37.09 O HETATM 2062 O HOH 169 -12.062 -16.522 33.659 1.00 37.83 O HETATM 2063 O HOH 170 -0.560 -11.179 -4.197 1.00 18.97 O HETATM 2064 O HOH 171 -3.543 -12.769 -10.213 1.00 24.14 O HETATM 2065 O HOH 172 -27.422 1.936 12.253 1.00 39.78 O HETATM 2066 O HOH 173 0.008 -12.110 -6.299 1.00 22.48 O HETATM 2067 O HOH 174 -10.813 6.309 5.354 1.00 50.93 O HETATM 2068 O HOH 175 11.077 2.782 4.957 1.00 29.06 O HETATM 2069 O HOH 176 1.328 8.235 -19.564 1.00 47.48 O HETATM 2070 O HOH 177 -18.821 -20.372 20.926 1.00 45.47 O HETATM 2071 O HOH 178 -26.902 -2.461 3.638 1.00 27.14 O HETATM 2072 O HOH 179 7.034 1.223 -1.397 1.00 40.96 O HETATM 2073 O HOH 180 -6.442 -25.865 23.255 1.00 37.34 O HETATM 2074 O HOH 181 -18.768 -20.543 10.320 1.00 32.62 O HETATM 2075 O HOH 182 -28.488 -0.484 2.982 1.00 37.19 O HETATM 2076 O HOH 183 -3.958 -8.600 30.182 1.00 38.94 O HETATM 2077 O HOH 184 0.551 -5.125 -3.902 1.00 25.93 O HETATM 2078 O HOH 185 -3.229 11.224 -16.410 1.00 47.01 O HETATM 2079 O HOH 186 -0.745 -13.471 -8.220 1.00 46.44 O HETATM 2080 O HOH 187 -3.656 -28.226 16.772 1.00 37.96 O HETATM 2081 O HOH 188 2.134 15.063 -5.021 1.00 51.16 O HETATM 2082 O HOH 189 -22.646 1.582 30.672 1.00 46.48 O HETATM 2083 O HOH 190 -22.399 -0.614 18.067 1.00 44.75 O HETATM 2084 O HOH 191 -20.995 2.899 10.536 1.00 45.43 O HETATM 2085 O HOH 192 -6.555 -21.180 -6.346 1.00 31.59 O HETATM 2086 O HOH 193 6.902 -14.235 21.916 1.00 46.35 O HETATM 2087 O HOH 194 -14.696 3.944 2.197 1.00 45.86 O HETATM 2088 O HOH 195 -18.303 -11.066 18.817 1.00 38.77 O HETATM 2089 O HOH 196 0.723 -3.720 -5.646 1.00 46.19 O HETATM 2090 O HOH 197 -11.919 -15.449 -12.615 1.00 48.53 O HETATM 2091 O HOH 198 -27.073 12.241 8.277 1.00 50.23 O HETATM 2092 O HOH 199 -15.005 -25.498 28.549 1.00 54.40 O HETATM 2093 O HOH 200 -17.259 1.412 5.335 1.00 47.46 O HETATM 2094 O HOH 201 -17.614 -3.514 -2.094 1.00 32.61 O HETATM 2095 O HOH 202 11.050 -5.526 13.936 1.00 45.00 O HETATM 2096 O HOH 203 0.835 -17.124 1.756 1.00 28.10 O HETATM 2097 O HOH 204 -5.409 -24.431 0.012 1.00 47.56 O HETATM 2098 O HOH 205 6.891 -3.682 13.101 1.00 31.93 O HETATM 2099 O HOH 206 -6.053 6.370 9.592 1.00 45.15 O HETATM 2100 O HOH 207 1.848 -9.878 24.701 1.00 36.82 O HETATM 2101 O HOH 208 -7.136 -11.214 32.085 1.00 28.00 O HETATM 2102 O HOH 209 -15.372 -29.251 7.263 1.00 56.16 O HETATM 2103 O HOH 210 -20.117 -6.282 -0.007 1.00 42.60 O HETATM 2104 O HOH 211 -17.355 -8.377 -7.086 1.00 42.38 O HETATM 2105 O HOH 212 -18.456 -22.252 0.020 1.00 41.68 O HETATM 2106 O HOH 213 0.079 -26.161 3.898 1.00 55.39 O HETATM 2107 O HOH 214 -0.194 -6.245 -9.772 1.00 31.05 O HETATM 2108 O HOH 215 -19.054 -10.435 21.568 1.00 51.13 O HETATM 2109 O HOH 216 10.104 -6.590 21.841 1.00 41.26 O HETATM 2110 O HOH 217 10.666 -23.062 10.545 1.00 38.41 O HETATM 2111 O HOH 218 6.243 -17.976 17.676 1.00 48.15 O HETATM 2112 O HOH 219 -8.496 5.589 -13.091 1.00 39.30 O HETATM 2113 O HOH 220 -4.917 12.619 4.910 1.00 52.40 O HETATM 2114 O HOH 221 -0.853 -8.714 -12.176 1.00 35.22 O HETATM 2115 O HOH 222 -4.815 -5.926 30.978 1.00 20.95 O HETATM 2116 O HOH 223 1.995 -7.411 25.247 1.00 65.51 O HETATM 2117 O HOH 224 4.988 7.037 -9.199 1.00 44.40 O HETATM 2118 O HOH 225 -26.560 -4.372 1.690 1.00 29.00 O HETATM 2119 O HOH 226 2.385 -3.892 -7.338 1.00 24.01 O HETATM 2120 O HOH 227 -11.266 -30.007 8.405 1.00 39.40 O HETATM 2121 O HOH 228 -16.681 -17.543 13.171 1.00 33.73 O HETATM 2122 O HOH 229 -16.218 10.648 29.968 1.00 41.15 O HETATM 2123 O HOH 230 -16.122 7.012 4.454 1.00 48.15 O HETATM 2124 O HOH 231 -7.544 -2.957 33.046 1.00 37.70 O HETATM 2125 O HOH 232 6.904 -5.348 0.595 1.00 41.23 O HETATM 2126 O HOH 233 -6.282 -19.813 32.617 1.00 48.60 O HETATM 2127 O HOH 234 4.026 -5.150 24.452 1.00 44.37 O HETATM 2128 O HOH 235 -6.780 3.713 16.718 1.00 51.17 O HETATM 2129 O HOH 236 0.202 -19.338 20.672 1.00 36.44 O HETATM 2130 O HOH 237 -26.746 -1.554 11.766 1.00 29.06 O HETATM 2131 O HOH 238 -37.318 13.899 3.031 1.00 44.22 O HETATM 2132 O HOH 239 -7.725 -27.993 5.958 1.00 35.33 O HETATM 2133 O HOH 240 -9.306 -35.424 13.361 1.00 48.29 O HETATM 2134 O HOH 241 13.827 5.383 -3.796 1.00 50.63 O HETATM 2135 O HOH 242 -25.949 -7.797 13.030 1.00 37.93 O HETATM 2136 C5 UNN A 243 -6.241 1.421 11.187 1.00 -0.06 C HETATM 2137 C4 UNN A 243 -6.224 0.688 12.323 1.00 0.03 C HETATM 2138 N3 UNN A 243 -6.501 -0.597 11.982 1.00 -0.25 N HETATM 2139 C11 UNN A 243 -6.684 -0.732 10.658 1.00 0.07 C HETATM 2140 C6 UNN A 243 -6.515 0.550 10.105 1.00 -0.02 C HETATM 2141 C7 UNN A 243 -6.655 0.709 8.710 1.00 -0.06 C HETATM 2142 C8 UNN A 243 -6.967 -0.403 7.895 1.00 -0.00 C HETATM 2143 BR UNN A 243 -7.153 -0.224 5.977 1.00 -0.06 BR HETATM 2144 C9 UNN A 243 -7.137 -1.681 8.460 1.00 -0.07 C HETATM 2145 C10 UNN A 243 -7.001 -1.848 9.843 1.00 -0.04 C HETATM 2146 H5 UNN A 243 -7.138 -2.826 10.289 1.00 0.05 H HETATM 2147 H4 UNN A 243 -7.372 -2.530 7.828 1.00 0.06 H HETATM 2148 H3 UNN A 243 -6.523 1.687 8.262 1.00 0.06 H HETATM 2149 C12 UNN A 243 -6.605 -1.764 12.904 1.00 0.14 C HETATM 2150 C13 UNN A 243 -5.321 -2.643 12.769 1.00 0.23 C HETATM 2151 O2 UNN A 243 -4.295 -2.332 13.379 1.00 -0.39 O HETATM 2152 N1 UNN A 243 -5.437 -3.731 11.974 1.00 -0.16 N HETATM 2153 O14 UNN A 243 -4.410 -4.583 11.742 1.00 -0.27 O HETATM 2154 H9 UNN A 243 -4.700 -5.276 11.160 1.00 0.25 H HETATM 2155 H8 UNN A 243 -6.319 -3.914 11.539 1.00 0.22 H HETATM 2156 H6 UNN A 243 -7.490 -2.363 12.641 1.00 0.08 H HETATM 2157 H7 UNN A 243 -6.699 -1.407 13.940 1.00 0.08 H HETATM 2158 H2 UNN A 243 -6.025 1.060 13.327 1.00 0.09 H HETATM 2159 H1 UNN A 243 -6.073 2.495 11.117 1.00 0.03 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 85 83 84 1899 CONECT 140 139 1899 CONECT 141 139 1899 CONECT 281 279 1902 CONECT 386 385 1900 CONECT 420 418 1900 CONECT 508 506 507 1895 CONECT 1069 1067 1068 1896 CONECT 1167 1168 1175 1176 1177 CONECT 1175 1167 CONECT 1176 1167 CONECT 1177 1167 CONECT 1302 1300 1301 1898 CONECT 1361 1359 1901 CONECT 1604 1602 1603 1894 CONECT 1643 1641 1642 1894 CONECT 1765 1764 1897 CONECT 1894 1604 1643 CONECT 1895 508 CONECT 1896 1069 CONECT 1897 1765 CONECT 1898 1302 CONECT 1899 85 140 141 CONECT 1900 386 420 CONECT 1901 1361 CONECT 1902 281 CONECT 2136 2137 2140 2159 CONECT 2137 2136 2138 2158 CONECT 2138 2137 2139 2149 CONECT 2139 2138 2140 2145 CONECT 2140 2136 2139 2141 CONECT 2141 2140 2142 2148 CONECT 2142 2141 2143 2144 CONECT 2143 2142 CONECT 2144 2142 2145 2147 CONECT 2145 2139 2144 2146 CONECT 2146 2145 CONECT 2147 2144 CONECT 2148 2141 CONECT 2149 2138 2150 2156 2157 CONECT 2150 2149 2151 2152 CONECT 2151 2150 CONECT 2152 2150 2153 2155 CONECT 2153 2152 2154 CONECT 2154 2153 CONECT 2155 2152 CONECT 2156 2149 CONECT 2157 2149 CONECT 2158 2137 CONECT 2159 2136 MASTER 0 0 0 0 0 0 0 0 2157 2 54 16 END
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Related entries of code: 5jf7
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5jf1
RCSB PDB
PDBbind
204aa, >5JF1_1|Chain... *
5jf2
RCSB PDB
PDBbind
204aa, >5JF2_1|Chain... at 100%
5jf3
RCSB PDB
PDBbind
204aa, >5JF3_1|Chain... at 100%
5jf4
RCSB PDB
PDBbind
204aa, >5JF4_1|Chain... at 100%
5jf5
RCSB PDB
PDBbind
204aa, >5JF5_1|Chain... at 100%
5jf6
RCSB PDB
PDBbind
204aa, >5JF6_1|Chain... at 100%
5jf8
RCSB PDB
PDBbind
204aa, >5JF8_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5jf7
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
type 2 PDF from Streptococcus agalactiae
Ligand Name
6JU
EC.Number
E.C.3.5.1.88
Resolution
2.1(Å)
Affinity (Kd/Ki/IC50)
Ki=909nM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Sci Rep Vol. 6: pp. 35429-35429
Ligand Properties
Formula
C
1
0
H
9
BrN
2
O
2
Molecular Weight
269.095
Exact Mass
267.985
No. of atoms
24
No. of bonds
25
Polar Surface Area
54.26
LOGP Value
1.65 (
Computed with XLOGP3
)
2.30 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 2
Canonical SMILES
ONC(=O)Cn1ccc2c1ccc(c2)Br
InChI String
InChI=1S/C10H9BrN2O2/c11-8-1-2-9-7(5-8)3-4-13(9)6-10(14)12-15/h1-5,15H,6H2,(H,12,14)
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):
Q8E378
Entrez Gene ID
NCBI Entrez Gene ID:
61439046
ASD
Information of known allosteric effects of PDB entries
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