Browse entries in the PDBbind-CN Database
HEADER 5W4S_COMPLEX COMPND 5W4S_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 139 HIS THR GLU LYS ARG GLY ARG ILE TYR LEU LYS ALA GLU SEQRES 2 A 139 VAL THR ASP GLU LYS LEU HIS VAL THR VAL ARG ASP ALA SEQRES 3 A 139 LYS ASN LEU ILE PRO MET ASP PRO ASN GLY LEU SER ASP SEQRES 4 A 139 PRO TYR VAL LYS LEU LYS LEU ILE PRO ASP PRO LYS ASN SEQRES 5 A 139 GLU SER LYS GLN LYS THR LYS THR ILE ARG SER THR LEU SEQRES 6 A 139 ASN PRO GLN TRP ASN GLU SER PHE THR PHE LYS LEU LYS SEQRES 7 A 139 PRO SER ASP LYS ASP ARG ARG LEU SER VAL GLU ILE TRP SEQRES 8 A 139 ASP TRP ASP ARG THR THR ARG ASN ASP PHE MET GLY SER SEQRES 9 A 139 LEU SER PHE GLY VAL SER GLU LEU MET LYS MET PRO ALA SEQRES 10 A 139 SER GLY TRP TYR LYS LEU LEU ASN GLN GLU GLU GLY GLU SEQRES 11 A 139 TYR TYR ASN VAL PRO ILE PRO GLU GLY HET CA A 1 1 HET CA A 2 1 HET ACE A 142 158 ATOM 1 N HIS A 155 18.125 9.837 12.454 1.00 3.95 N ATOM 2 CA HIS A 155 17.815 9.582 11.031 1.00 3.76 C ATOM 3 C HIS A 155 16.427 8.958 10.894 1.00 3.07 C ATOM 4 O HIS A 155 16.289 7.735 10.815 1.00 3.50 O ATOM 5 CB HIS A 155 18.876 8.660 10.417 1.00 4.01 C ATOM 6 CG HIS A 155 18.901 8.669 8.920 1.00 3.79 C ATOM 7 ND1 HIS A 155 18.270 7.718 8.145 1.00 3.81 N ATOM 8 CD2 HIS A 155 19.500 9.518 8.052 1.00 4.12 C ATOM 9 CE1 HIS A 155 18.475 7.986 6.869 1.00 4.17 C ATOM 10 NE2 HIS A 155 19.215 9.073 6.786 1.00 4.31 N ATOM 11 HN3 HIS A 155 18.102 8.939 12.979 1.00 0.00 H ATOM 12 HN2 HIS A 155 17.418 10.489 12.850 1.00 0.00 H ATOM 13 HN1 HIS A 155 19.071 10.261 12.531 1.00 0.00 H ATOM 14 N THR A 156 15.402 9.801 10.888 1.00 2.51 N ATOM 15 CA THR A 156 14.025 9.343 10.751 1.00 2.16 C ATOM 16 C THR A 156 13.237 10.293 9.852 1.00 1.89 C ATOM 17 O THR A 156 12.062 10.578 10.101 1.00 1.96 O ATOM 18 CB THR A 156 13.327 9.240 12.123 1.00 2.27 C ATOM 19 OG1 THR A 156 13.960 10.122 13.061 1.00 2.47 O ATOM 20 CG2 THR A 156 13.367 7.813 12.652 1.00 3.03 C ATOM 21 HG1 THR A 156 13.506 10.050 13.938 1.00 0.00 H ATOM 22 H THR A 156 15.587 10.820 10.984 1.00 0.00 H ATOM 23 N GLU A 157 13.900 10.795 8.817 1.00 2.14 N ATOM 24 CA GLU A 157 13.278 11.717 7.872 1.00 2.23 C ATOM 25 C GLU A 157 12.240 11.007 6.999 1.00 2.10 C ATOM 26 O GLU A 157 12.552 10.506 5.918 1.00 2.55 O ATOM 27 CB GLU A 157 14.346 12.384 6.991 1.00 3.01 C ATOM 28 CG GLU A 157 15.395 11.422 6.445 1.00 3.55 C ATOM 29 CD GLU A 157 16.654 11.384 7.284 1.00 4.00 C ATOM 30 OE1 GLU A 157 16.608 10.852 8.408 1.00 4.35 O ATOM 31 OE2 GLU A 157 17.700 11.881 6.813 1.00 4.28 O ATOM 32 H GLU A 157 14.894 10.523 8.675 1.00 0.00 H ATOM 33 N LYS A 158 11.000 10.970 7.463 1.00 1.77 N ATOM 34 CA LYS A 158 9.928 10.329 6.714 1.00 1.88 C ATOM 35 C LYS A 158 9.329 11.312 5.711 1.00 1.48 C ATOM 36 O LYS A 158 8.191 11.763 5.861 1.00 1.63 O ATOM 37 CB LYS A 158 8.847 9.799 7.662 1.00 2.23 C ATOM 38 CG LYS A 158 9.375 8.810 8.692 1.00 2.08 C ATOM 39 CD LYS A 158 8.245 8.151 9.466 1.00 2.64 C ATOM 40 CE LYS A 158 8.773 7.347 10.644 1.00 2.84 C ATOM 41 NZ LYS A 158 7.680 6.713 11.428 1.00 3.66 N ATOM 42 HZ1 LYS A 158 7.047 7.451 11.798 1.00 0.00 H ATOM 43 HZ2 LYS A 158 7.142 6.070 10.813 1.00 0.00 H ATOM 44 HZ3 LYS A 158 8.089 6.176 12.220 1.00 0.00 H ATOM 45 H LYS A 158 10.787 11.408 8.382 1.00 0.00 H ATOM 46 N ARG A 159 10.106 11.648 4.691 1.00 1.17 N ATOM 47 CA ARG A 159 9.662 12.592 3.672 1.00 0.88 C ATOM 48 C ARG A 159 9.103 11.872 2.448 1.00 0.77 C ATOM 49 O ARG A 159 8.751 12.504 1.452 1.00 0.98 O ATOM 50 CB ARG A 159 10.816 13.509 3.261 1.00 0.93 C ATOM 51 CG ARG A 159 12.025 12.774 2.707 1.00 1.28 C ATOM 52 CD ARG A 159 13.136 13.743 2.339 1.00 1.55 C ATOM 53 NE ARG A 159 12.667 14.775 1.413 1.00 2.65 N ATOM 54 CZ ARG A 159 13.007 16.060 1.483 1.00 3.37 C ATOM 55 NH1 ARG A 159 13.823 16.488 2.435 1.00 3.11 N ATOM 56 NH2 ARG A 159 12.522 16.919 0.596 1.00 4.54 N ATOM 57 HE ARG A 159 12.025 14.485 0.648 1.00 0.00 H ATOM 58 HH12 ARG A 159 14.084 17.494 2.483 1.00 0.00 H ATOM 59 HH11 ARG A 159 14.203 15.818 3.134 1.00 0.00 H ATOM 60 HH22 ARG A 159 12.785 17.924 0.647 1.00 0.00 H ATOM 61 HH21 ARG A 159 11.878 16.588 -0.151 1.00 0.00 H ATOM 62 H ARG A 159 11.055 11.229 4.616 1.00 0.00 H ATOM 63 N GLY A 160 9.019 10.552 2.532 1.00 0.74 N ATOM 64 CA GLY A 160 8.504 9.770 1.425 1.00 0.78 C ATOM 65 C GLY A 160 7.010 9.940 1.249 1.00 0.68 C ATOM 66 O GLY A 160 6.275 10.077 2.228 1.00 0.84 O ATOM 67 H GLY A 160 9.326 10.072 3.402 1.00 0.00 H ATOM 68 N ARG A 161 6.564 9.956 0.002 1.00 0.48 N ATOM 69 CA ARG A 161 5.150 10.105 -0.308 1.00 0.42 C ATOM 70 C ARG A 161 4.721 9.044 -1.312 1.00 0.38 C ATOM 71 O ARG A 161 5.520 8.615 -2.149 1.00 0.41 O ATOM 72 CB ARG A 161 4.867 11.501 -0.869 1.00 0.47 C ATOM 73 CG ARG A 161 5.066 12.621 0.138 1.00 1.12 C ATOM 74 CD ARG A 161 4.942 13.982 -0.521 1.00 1.09 C ATOM 75 NE ARG A 161 4.882 15.058 0.463 1.00 1.12 N ATOM 76 CZ ARG A 161 4.538 16.309 0.175 1.00 1.18 C ATOM 77 NH1 ARG A 161 4.220 16.642 -1.072 1.00 1.21 N ATOM 78 NH2 ARG A 161 4.511 17.223 1.137 1.00 1.38 N ATOM 79 HE ARG A 161 5.123 14.832 1.449 1.00 0.00 H ATOM 80 HH12 ARG A 161 3.951 17.621 -1.296 1.00 0.00 H ATOM 81 HH11 ARG A 161 4.240 15.923 -1.823 1.00 0.00 H ATOM 82 HH22 ARG A 161 4.242 18.203 0.916 1.00 0.00 H ATOM 83 HH21 ARG A 161 4.758 16.959 2.112 1.00 0.00 H ATOM 84 H ARG A 161 7.244 9.859 -0.779 1.00 0.00 H ATOM 85 N ILE A 162 3.468 8.622 -1.229 1.00 0.41 N ATOM 86 CA ILE A 162 2.948 7.608 -2.132 1.00 0.44 C ATOM 87 C ILE A 162 1.646 8.084 -2.784 1.00 0.44 C ATOM 88 O ILE A 162 0.796 8.694 -2.131 1.00 0.45 O ATOM 89 CB ILE A 162 2.749 6.256 -1.386 1.00 0.51 C ATOM 90 CG1 ILE A 162 3.399 5.103 -2.168 1.00 0.76 C ATOM 91 CG2 ILE A 162 1.277 5.959 -1.111 1.00 0.56 C ATOM 92 CD1 ILE A 162 2.752 4.818 -3.508 1.00 0.94 C ATOM 93 H ILE A 162 2.843 9.025 -0.502 1.00 0.00 H ATOM 94 N TYR A 163 1.521 7.845 -4.083 1.00 0.45 N ATOM 95 CA TYR A 163 0.330 8.235 -4.826 1.00 0.47 C ATOM 96 C TYR A 163 -0.613 7.041 -4.952 1.00 0.47 C ATOM 97 O TYR A 163 -0.450 6.195 -5.837 1.00 0.47 O ATOM 98 CB TYR A 163 0.719 8.750 -6.217 1.00 0.49 C ATOM 99 CG TYR A 163 -0.303 9.664 -6.866 1.00 0.55 C ATOM 100 CD1 TYR A 163 0.039 10.426 -7.979 1.00 0.93 C ATOM 101 CD2 TYR A 163 -1.599 9.776 -6.374 1.00 0.87 C ATOM 102 CE1 TYR A 163 -0.878 11.270 -8.579 1.00 1.01 C ATOM 103 CE2 TYR A 163 -2.522 10.616 -6.971 1.00 0.94 C ATOM 104 CZ TYR A 163 -2.157 11.362 -8.071 1.00 0.76 C ATOM 105 OH TYR A 163 -3.073 12.206 -8.664 1.00 0.90 O ATOM 106 HH TYR A 163 -2.650 12.662 -9.434 1.00 0.00 H ATOM 107 H TYR A 163 2.295 7.366 -4.585 1.00 0.00 H ATOM 108 N LEU A 164 -1.594 6.975 -4.064 1.00 0.51 N ATOM 109 CA LEU A 164 -2.555 5.879 -4.065 1.00 0.54 C ATOM 110 C LEU A 164 -3.948 6.382 -4.435 1.00 0.56 C ATOM 111 O LEU A 164 -4.403 7.410 -3.933 1.00 0.66 O ATOM 112 CB LEU A 164 -2.594 5.203 -2.687 1.00 0.61 C ATOM 113 CG LEU A 164 -2.292 3.698 -2.674 1.00 0.76 C ATOM 114 CD1 LEU A 164 -3.180 2.956 -3.663 1.00 0.98 C ATOM 115 CD2 LEU A 164 -0.826 3.443 -2.979 1.00 1.23 C ATOM 116 H LEU A 164 -1.681 7.724 -3.348 1.00 0.00 H ATOM 117 N LYS A 165 -4.613 5.658 -5.322 1.00 0.55 N ATOM 118 CA LYS A 165 -5.952 6.016 -5.761 1.00 0.58 C ATOM 119 C LYS A 165 -6.926 4.880 -5.479 1.00 0.61 C ATOM 120 O LYS A 165 -6.629 3.716 -5.751 1.00 0.69 O ATOM 121 CB LYS A 165 -5.954 6.335 -7.257 1.00 0.61 C ATOM 122 CG LYS A 165 -5.103 7.535 -7.631 1.00 1.15 C ATOM 123 CD LYS A 165 -5.131 7.787 -9.130 1.00 1.08 C ATOM 124 CE LYS A 165 -6.265 8.720 -9.536 1.00 1.14 C ATOM 125 NZ LYS A 165 -7.610 8.131 -9.287 1.00 1.68 N ATOM 126 HZ1 LYS A 165 -7.709 7.252 -9.834 1.00 0.00 H ATOM 127 HZ2 LYS A 165 -7.714 7.924 -8.273 1.00 0.00 H ATOM 128 HZ3 LYS A 165 -8.343 8.807 -9.581 1.00 0.00 H ATOM 129 H LYS A 165 -4.164 4.807 -5.717 1.00 0.00 H ATOM 130 N ALA A 166 -8.075 5.224 -4.921 1.00 0.62 N ATOM 131 CA ALA A 166 -9.103 4.248 -4.606 1.00 0.67 C ATOM 132 C ALA A 166 -10.487 4.835 -4.864 1.00 0.66 C ATOM 133 O ALA A 166 -10.957 5.706 -4.129 1.00 0.74 O ATOM 134 CB ALA A 166 -8.972 3.782 -3.160 1.00 0.70 C ATOM 135 H ALA A 166 -8.248 6.226 -4.701 1.00 0.00 H ATOM 136 N GLU A 167 -11.121 4.369 -5.928 1.00 0.71 N ATOM 137 CA GLU A 167 -12.448 4.842 -6.305 1.00 0.75 C ATOM 138 C GLU A 167 -13.404 3.665 -6.458 1.00 0.75 C ATOM 139 O GLU A 167 -12.970 2.531 -6.641 1.00 0.86 O ATOM 140 CB GLU A 167 -12.387 5.637 -7.616 1.00 0.84 C ATOM 141 CG GLU A 167 -11.066 5.498 -8.359 1.00 1.13 C ATOM 142 CD GLU A 167 -11.119 6.050 -9.766 1.00 1.03 C ATOM 143 OE1 GLU A 167 -10.782 5.303 -10.710 1.00 1.39 O ATOM 144 OE2 GLU A 167 -11.488 7.227 -9.939 1.00 1.53 O ATOM 145 H GLU A 167 -10.659 3.644 -6.513 1.00 0.00 H ATOM 146 N VAL A 168 -14.698 3.933 -6.375 1.00 0.75 N ATOM 147 CA VAL A 168 -15.698 2.885 -6.513 1.00 0.81 C ATOM 148 C VAL A 168 -16.313 2.911 -7.912 1.00 0.88 C ATOM 149 O VAL A 168 -16.871 3.923 -8.344 1.00 1.05 O ATOM 150 CB VAL A 168 -16.804 3.006 -5.431 1.00 0.91 C ATOM 151 CG1 VAL A 168 -17.430 4.394 -5.425 1.00 1.47 C ATOM 152 CG2 VAL A 168 -17.872 1.940 -5.623 1.00 1.68 C ATOM 153 H VAL A 168 -15.006 4.912 -6.208 1.00 0.00 H ATOM 154 N THR A 169 -16.180 1.801 -8.622 1.00 0.87 N ATOM 155 CA THR A 169 -16.714 1.678 -9.970 1.00 0.97 C ATOM 156 C THR A 169 -17.190 0.251 -10.218 1.00 0.99 C ATOM 157 O THR A 169 -16.531 -0.703 -9.798 1.00 0.97 O ATOM 158 CB THR A 169 -15.658 2.044 -11.031 1.00 1.10 C ATOM 159 OG1 THR A 169 -14.827 3.113 -10.556 1.00 1.23 O ATOM 160 CG2 THR A 169 -16.326 2.455 -12.336 1.00 1.32 C ATOM 161 HG1 THR A 169 -15.388 3.907 -10.369 1.00 0.00 H ATOM 162 H THR A 169 -15.678 0.992 -8.203 1.00 0.00 H ATOM 163 N ASP A 170 -18.339 0.116 -10.879 1.00 1.09 N ATOM 164 CA ASP A 170 -18.920 -1.196 -11.190 1.00 1.19 C ATOM 165 C ASP A 170 -19.250 -1.944 -9.905 1.00 1.16 C ATOM 166 O ASP A 170 -19.279 -3.176 -9.882 1.00 1.18 O ATOM 167 CB ASP A 170 -17.971 -2.046 -12.050 1.00 1.23 C ATOM 168 CG ASP A 170 -17.672 -1.437 -13.403 1.00 1.47 C ATOM 169 OD1 ASP A 170 -16.481 -1.356 -13.767 1.00 1.87 O ATOM 170 OD2 ASP A 170 -18.622 -1.050 -14.118 1.00 1.80 O ATOM 171 H ASP A 170 -18.843 0.972 -11.186 1.00 0.00 H ATOM 172 N GLU A 171 -19.493 -1.176 -8.842 1.00 1.18 N ATOM 173 CA GLU A 171 -19.810 -1.718 -7.522 1.00 1.24 C ATOM 174 C GLU A 171 -18.603 -2.446 -6.938 1.00 1.15 C ATOM 175 O GLU A 171 -18.730 -3.277 -6.036 1.00 1.40 O ATOM 176 CB GLU A 171 -21.036 -2.635 -7.580 1.00 1.39 C ATOM 177 CG GLU A 171 -22.359 -1.888 -7.460 1.00 1.38 C ATOM 178 CD GLU A 171 -22.584 -0.882 -8.575 1.00 1.97 C ATOM 179 OE1 GLU A 171 -22.289 0.315 -8.372 1.00 2.34 O ATOM 180 OE2 GLU A 171 -23.068 -1.281 -9.656 1.00 2.71 O ATOM 181 H GLU A 171 -19.455 -0.143 -8.958 1.00 0.00 H ATOM 182 N LYS A 172 -17.429 -2.113 -7.459 1.00 0.93 N ATOM 183 CA LYS A 172 -16.180 -2.699 -7.006 1.00 0.87 C ATOM 184 C LYS A 172 -15.185 -1.595 -6.676 1.00 0.81 C ATOM 185 O LYS A 172 -15.408 -0.432 -7.015 1.00 0.83 O ATOM 186 CB LYS A 172 -15.607 -3.630 -8.078 1.00 0.82 C ATOM 187 CG LYS A 172 -16.424 -4.898 -8.276 1.00 1.47 C ATOM 188 CD LYS A 172 -16.395 -5.377 -9.720 1.00 1.30 C ATOM 189 CE LYS A 172 -14.999 -5.795 -10.148 1.00 1.50 C ATOM 190 NZ LYS A 172 -14.991 -6.371 -11.516 1.00 1.80 N ATOM 191 HZ1 LYS A 172 -15.606 -7.210 -11.541 1.00 0.00 H ATOM 192 HZ2 LYS A 172 -15.342 -5.662 -12.191 1.00 0.00 H ATOM 193 HZ3 LYS A 172 -14.020 -6.644 -11.770 1.00 0.00 H ATOM 194 H LYS A 172 -17.402 -1.405 -8.221 1.00 0.00 H ATOM 195 N LEU A 173 -14.093 -1.950 -6.019 1.00 0.78 N ATOM 196 CA LEU A 173 -13.087 -0.968 -5.648 1.00 0.76 C ATOM 197 C LEU A 173 -11.966 -0.928 -6.680 1.00 0.69 C ATOM 198 O LEU A 173 -11.315 -1.940 -6.949 1.00 0.71 O ATOM 199 CB LEU A 173 -12.521 -1.279 -4.258 1.00 0.84 C ATOM 200 CG LEU A 173 -11.623 -0.193 -3.661 1.00 0.91 C ATOM 201 CD1 LEU A 173 -12.384 1.117 -3.524 1.00 1.10 C ATOM 202 CD2 LEU A 173 -11.085 -0.638 -2.309 1.00 0.98 C ATOM 203 H LEU A 173 -13.952 -2.948 -5.764 1.00 0.00 H ATOM 204 N HIS A 174 -11.764 0.243 -7.264 1.00 0.65 N ATOM 205 CA HIS A 174 -10.727 0.445 -8.263 1.00 0.61 C ATOM 206 C HIS A 174 -9.491 1.040 -7.605 1.00 0.58 C ATOM 207 O HIS A 174 -9.380 2.258 -7.453 1.00 0.63 O ATOM 208 CB HIS A 174 -11.239 1.369 -9.377 1.00 0.64 C ATOM 209 CG HIS A 174 -10.280 1.554 -10.514 1.00 0.66 C ATOM 210 ND1 HIS A 174 -9.893 2.795 -10.980 1.00 0.76 N ATOM 211 CD2 HIS A 174 -9.644 0.649 -11.295 1.00 0.70 C ATOM 212 CE1 HIS A 174 -9.064 2.643 -11.995 1.00 0.78 C ATOM 213 NE2 HIS A 174 -8.896 1.352 -12.205 1.00 0.75 N ATOM 214 H HIS A 174 -12.368 1.047 -6.999 1.00 0.00 H ATOM 215 N VAL A 175 -8.579 0.174 -7.196 1.00 0.57 N ATOM 216 CA VAL A 175 -7.352 0.607 -6.547 1.00 0.58 C ATOM 217 C VAL A 175 -6.242 0.754 -7.576 1.00 0.53 C ATOM 218 O VAL A 175 -5.911 -0.200 -8.283 1.00 0.56 O ATOM 219 CB VAL A 175 -6.895 -0.385 -5.457 1.00 0.64 C ATOM 220 CG1 VAL A 175 -5.736 0.194 -4.656 1.00 0.78 C ATOM 221 CG2 VAL A 175 -8.052 -0.755 -4.540 1.00 0.82 C ATOM 222 H VAL A 175 -8.744 -0.842 -7.342 1.00 0.00 H ATOM 223 N THR A 176 -5.681 1.945 -7.666 1.00 0.51 N ATOM 224 CA THR A 176 -4.616 2.213 -8.614 1.00 0.49 C ATOM 225 C THR A 176 -3.431 2.877 -7.929 1.00 0.48 C ATOM 226 O THR A 176 -3.562 3.950 -7.336 1.00 0.59 O ATOM 227 CB THR A 176 -5.104 3.124 -9.757 1.00 0.56 C ATOM 228 OG1 THR A 176 -6.356 2.646 -10.270 1.00 0.75 O ATOM 229 CG2 THR A 176 -4.080 3.178 -10.883 1.00 0.68 C ATOM 230 HG1 THR A 176 -6.659 3.239 -11.003 1.00 0.00 H ATOM 231 H THR A 176 -6.010 2.710 -7.043 1.00 0.00 H ATOM 232 N VAL A 177 -2.282 2.231 -7.996 1.00 0.44 N ATOM 233 CA VAL A 177 -1.076 2.781 -7.411 1.00 0.44 C ATOM 234 C VAL A 177 -0.201 3.348 -8.518 1.00 0.41 C ATOM 235 O VAL A 177 0.246 2.621 -9.407 1.00 0.44 O ATOM 236 CB VAL A 177 -0.294 1.733 -6.585 1.00 0.47 C ATOM 237 CG1 VAL A 177 -0.102 0.440 -7.364 1.00 0.51 C ATOM 238 CG2 VAL A 177 1.046 2.296 -6.132 1.00 0.52 C ATOM 239 H VAL A 177 -2.242 1.310 -8.478 1.00 0.00 H ATOM 240 N ARG A 178 0.010 4.653 -8.489 1.00 0.41 N ATOM 241 CA ARG A 178 0.813 5.300 -9.509 1.00 0.42 C ATOM 242 C ARG A 178 2.298 5.112 -9.217 1.00 0.39 C ATOM 243 O ARG A 178 2.925 4.185 -9.733 1.00 0.41 O ATOM 244 CB ARG A 178 0.459 6.786 -9.602 1.00 0.46 C ATOM 245 CG ARG A 178 1.006 7.476 -10.840 1.00 1.05 C ATOM 246 CD ARG A 178 0.279 7.037 -12.101 1.00 0.93 C ATOM 247 NE ARG A 178 -1.127 7.459 -12.114 1.00 1.03 N ATOM 248 CZ ARG A 178 -1.660 8.265 -13.041 1.00 1.33 C ATOM 249 NH1 ARG A 178 -0.914 8.743 -14.031 1.00 1.88 N ATOM 250 NH2 ARG A 178 -2.946 8.582 -12.989 1.00 1.52 N ATOM 251 HE ARG A 178 -1.748 7.110 -11.356 1.00 0.00 H ATOM 252 HH12 ARG A 178 -1.337 9.368 -14.746 1.00 0.00 H ATOM 253 HH11 ARG A 178 0.093 8.492 -14.091 1.00 0.00 H ATOM 254 HH22 ARG A 178 -3.357 9.208 -13.711 1.00 0.00 H ATOM 255 HH21 ARG A 178 -3.544 8.204 -12.227 1.00 0.00 H ATOM 256 H ARG A 178 -0.405 5.223 -7.725 1.00 0.00 H ATOM 257 N ASP A 179 2.845 5.970 -8.365 1.00 0.39 N ATOM 258 CA ASP A 179 4.256 5.902 -8.016 1.00 0.38 C ATOM 259 C ASP A 179 4.519 6.564 -6.673 1.00 0.38 C ATOM 260 O ASP A 179 3.593 7.028 -6.002 1.00 0.42 O ATOM 261 CB ASP A 179 5.124 6.560 -9.099 1.00 0.43 C ATOM 262 CG ASP A 179 4.674 7.958 -9.475 1.00 0.50 C ATOM 263 OD1 ASP A 179 4.936 8.905 -8.705 1.00 0.61 O ATOM 264 OD2 ASP A 179 4.089 8.120 -10.568 1.00 0.70 O ATOM 265 H ASP A 179 2.251 6.708 -7.937 1.00 0.00 H ATOM 266 N ALA A 180 5.787 6.584 -6.289 1.00 0.37 N ATOM 267 CA ALA A 180 6.211 7.177 -5.033 1.00 0.38 C ATOM 268 C ALA A 180 7.402 8.094 -5.271 1.00 0.38 C ATOM 269 O ALA A 180 8.173 7.883 -6.210 1.00 0.48 O ATOM 270 CB ALA A 180 6.560 6.088 -4.031 1.00 0.43 C ATOM 271 H ALA A 180 6.505 6.159 -6.910 1.00 0.00 H ATOM 272 N LYS A 181 7.546 9.111 -4.433 1.00 0.35 N ATOM 273 CA LYS A 181 8.645 10.059 -4.569 1.00 0.41 C ATOM 274 C LYS A 181 9.223 10.433 -3.212 1.00 0.41 C ATOM 275 O LYS A 181 8.567 10.259 -2.180 1.00 0.45 O ATOM 276 CB LYS A 181 8.175 11.332 -5.285 1.00 0.57 C ATOM 277 CG LYS A 181 7.769 11.112 -6.733 1.00 0.99 C ATOM 278 CD LYS A 181 7.716 12.418 -7.514 1.00 1.17 C ATOM 279 CE LYS A 181 6.732 13.399 -6.900 1.00 1.34 C ATOM 280 NZ LYS A 181 6.642 14.657 -7.684 1.00 1.41 N ATOM 281 HZ1 LYS A 181 7.577 15.111 -7.718 1.00 0.00 H ATOM 282 HZ2 LYS A 181 6.326 14.440 -8.651 1.00 0.00 H ATOM 283 HZ3 LYS A 181 5.960 15.298 -7.231 1.00 0.00 H ATOM 284 H LYS A 181 6.860 9.235 -3.661 1.00 0.00 H ATOM 285 N ASN A 182 10.459 10.938 -3.237 1.00 0.45 N ATOM 286 CA ASN A 182 11.163 11.385 -2.032 1.00 0.51 C ATOM 287 C ASN A 182 11.415 10.241 -1.055 1.00 0.48 C ATOM 288 O ASN A 182 11.319 10.420 0.160 1.00 0.58 O ATOM 289 CB ASN A 182 10.380 12.506 -1.337 1.00 0.66 C ATOM 290 CG ASN A 182 10.962 13.887 -1.589 1.00 1.07 C ATOM 291 OD1 ASN A 182 10.915 14.757 -0.720 1.00 1.62 O ATOM 292 ND2 ASN A 182 11.500 14.108 -2.777 1.00 1.72 N ATOM 293 HD22 ASN A 182 11.522 13.349 -3.487 1.00 0.00 H ATOM 294 HD21 ASN A 182 11.901 15.041 -3.001 1.00 0.00 H ATOM 295 H ASN A 182 10.944 11.018 -4.153 1.00 0.00 H ATOM 296 N LEU A 183 11.759 9.074 -1.582 1.00 0.50 N ATOM 297 CA LEU A 183 12.022 7.911 -0.746 1.00 0.58 C ATOM 298 C LEU A 183 13.360 8.048 -0.031 1.00 0.64 C ATOM 299 O LEU A 183 14.272 8.718 -0.520 1.00 0.80 O ATOM 300 CB LEU A 183 12.018 6.632 -1.585 1.00 0.66 C ATOM 301 CG LEU A 183 10.667 5.920 -1.691 1.00 0.74 C ATOM 302 CD1 LEU A 183 9.648 6.788 -2.411 1.00 1.41 C ATOM 303 CD2 LEU A 183 10.826 4.589 -2.406 1.00 1.62 C ATOM 304 H LEU A 183 11.843 8.987 -2.615 1.00 0.00 H ATOM 305 N ILE A 184 13.470 7.416 1.127 1.00 0.64 N ATOM 306 CA ILE A 184 14.697 7.455 1.899 1.00 0.71 C ATOM 307 C ILE A 184 15.363 6.085 1.881 1.00 0.64 C ATOM 308 O ILE A 184 14.685 5.069 2.019 1.00 0.61 O ATOM 309 CB ILE A 184 14.446 7.894 3.357 1.00 0.86 C ATOM 310 CG1 ILE A 184 13.318 7.065 3.986 1.00 0.90 C ATOM 311 CG2 ILE A 184 14.116 9.378 3.404 1.00 0.98 C ATOM 312 CD1 ILE A 184 13.208 7.231 5.488 1.00 1.09 C ATOM 313 H ILE A 184 12.657 6.879 1.492 1.00 0.00 H ATOM 314 N PRO A 185 16.693 6.044 1.683 1.00 0.68 N ATOM 315 CA PRO A 185 17.459 4.789 1.625 1.00 0.65 C ATOM 316 C PRO A 185 17.264 3.893 2.847 1.00 0.65 C ATOM 317 O PRO A 185 17.534 4.295 3.983 1.00 0.75 O ATOM 318 CB PRO A 185 18.913 5.264 1.546 1.00 0.74 C ATOM 319 CG PRO A 185 18.845 6.634 0.981 1.00 0.84 C ATOM 320 CD PRO A 185 17.557 7.222 1.484 1.00 0.80 C ATOM 321 N MET A 186 16.784 2.682 2.597 1.00 0.61 N ATOM 322 CA MET A 186 16.560 1.694 3.649 1.00 0.65 C ATOM 323 C MET A 186 17.297 0.403 3.310 1.00 0.60 C ATOM 324 O MET A 186 16.935 -0.684 3.772 1.00 0.61 O ATOM 325 CB MET A 186 15.064 1.406 3.822 1.00 0.71 C ATOM 326 CG MET A 186 14.323 2.452 4.637 1.00 0.96 C ATOM 327 SD MET A 186 12.740 1.851 5.257 1.00 1.27 S ATOM 328 CE MET A 186 12.136 3.304 6.110 1.00 2.18 C ATOM 329 H MET A 186 16.559 2.426 1.614 1.00 0.00 H ATOM 330 N ASP A 187 18.323 0.535 2.481 1.00 0.60 N ATOM 331 CA ASP A 187 19.131 -0.600 2.057 1.00 0.60 C ATOM 332 C ASP A 187 20.607 -0.251 2.156 1.00 0.67 C ATOM 333 O ASP A 187 20.972 0.926 2.095 1.00 0.70 O ATOM 334 CB ASP A 187 18.803 -0.996 0.613 1.00 0.58 C ATOM 335 CG ASP A 187 17.534 -1.814 0.489 1.00 0.58 C ATOM 336 OD1 ASP A 187 17.068 -2.383 1.497 1.00 0.59 O ATOM 337 OD2 ASP A 187 16.988 -1.908 -0.625 1.00 0.87 O ATOM 338 H ASP A 187 18.559 1.482 2.121 1.00 0.00 H ATOM 339 N PRO A 188 21.478 -1.263 2.301 1.00 0.72 N ATOM 340 CA PRO A 188 22.927 -1.053 2.401 1.00 0.83 C ATOM 341 C PRO A 188 23.500 -0.399 1.148 1.00 0.84 C ATOM 342 O PRO A 188 24.497 0.322 1.207 1.00 0.96 O ATOM 343 CB PRO A 188 23.493 -2.469 2.561 1.00 0.91 C ATOM 344 CG PRO A 188 22.347 -3.309 2.999 1.00 0.86 C ATOM 345 CD PRO A 188 21.125 -2.691 2.390 1.00 0.73 C ATOM 346 N ASN A 189 22.848 -0.637 0.017 1.00 0.79 N ATOM 347 CA ASN A 189 23.292 -0.081 -1.256 1.00 0.83 C ATOM 348 C ASN A 189 22.934 1.401 -1.374 1.00 0.77 C ATOM 349 O ASN A 189 23.267 2.052 -2.363 1.00 0.85 O ATOM 350 CB ASN A 189 22.688 -0.861 -2.429 1.00 0.87 C ATOM 351 CG ASN A 189 23.362 -2.203 -2.655 1.00 1.57 C ATOM 352 OD1 ASN A 189 23.732 -2.896 -1.706 1.00 2.27 O ATOM 353 ND2 ASN A 189 23.533 -2.573 -3.915 1.00 2.02 N ATOM 354 HD22 ASN A 189 23.205 -1.958 -4.687 1.00 0.00 H ATOM 355 HD21 ASN A 189 23.995 -3.479 -4.133 1.00 0.00 H ATOM 356 H ASN A 189 21.998 -1.236 0.039 1.00 0.00 H ATOM 357 N GLY A 190 22.249 1.924 -0.363 1.00 0.70 N ATOM 358 CA GLY A 190 21.871 3.324 -0.363 1.00 0.69 C ATOM 359 C GLY A 190 20.639 3.602 -1.198 1.00 0.66 C ATOM 360 O GLY A 190 20.562 4.624 -1.876 1.00 0.97 O ATOM 361 H GLY A 190 21.980 1.321 0.440 1.00 0.00 H ATOM 362 N LEU A 191 19.672 2.699 -1.151 1.00 0.58 N ATOM 363 CA LEU A 191 18.442 2.863 -1.913 1.00 0.57 C ATOM 364 C LEU A 191 17.300 2.135 -1.226 1.00 0.54 C ATOM 365 O LEU A 191 17.468 1.627 -0.119 1.00 0.74 O ATOM 366 CB LEU A 191 18.627 2.337 -3.340 1.00 0.78 C ATOM 367 CG LEU A 191 19.091 0.882 -3.444 1.00 1.30 C ATOM 368 CD1 LEU A 191 17.932 -0.028 -3.817 1.00 1.73 C ATOM 369 CD2 LEU A 191 20.215 0.754 -4.457 1.00 2.22 C ATOM 370 H LEU A 191 19.793 1.854 -0.557 1.00 0.00 H ATOM 371 N SER A 192 16.146 2.102 -1.873 1.00 0.50 N ATOM 372 CA SER A 192 14.981 1.425 -1.335 1.00 0.59 C ATOM 373 C SER A 192 14.146 0.854 -2.467 1.00 0.56 C ATOM 374 O SER A 192 13.845 1.546 -3.440 1.00 0.68 O ATOM 375 CB SER A 192 14.142 2.387 -0.492 1.00 0.76 C ATOM 376 OG SER A 192 14.926 2.957 0.539 1.00 1.35 O ATOM 377 HG SER A 192 14.367 3.576 1.073 1.00 0.00 H ATOM 378 H SER A 192 16.072 2.576 -2.796 1.00 0.00 H ATOM 379 N ASP A 193 13.795 -0.410 -2.347 1.00 0.51 N ATOM 380 CA ASP A 193 12.988 -1.075 -3.354 1.00 0.51 C ATOM 381 C ASP A 193 11.761 -1.709 -2.709 1.00 0.47 C ATOM 382 O ASP A 193 11.713 -2.918 -2.472 1.00 0.45 O ATOM 383 CB ASP A 193 13.803 -2.120 -4.145 1.00 0.56 C ATOM 384 CG ASP A 193 14.712 -2.992 -3.291 1.00 0.59 C ATOM 385 OD1 ASP A 193 15.541 -3.728 -3.868 1.00 0.87 O ATOM 386 OD2 ASP A 193 14.621 -2.949 -2.050 1.00 0.68 O ATOM 387 H ASP A 193 14.104 -0.945 -1.510 1.00 0.00 H ATOM 388 N PRO A 194 10.738 -0.893 -2.421 1.00 0.52 N ATOM 389 CA PRO A 194 9.512 -1.362 -1.800 1.00 0.53 C ATOM 390 C PRO A 194 8.508 -1.887 -2.816 1.00 0.57 C ATOM 391 O PRO A 194 8.698 -1.759 -4.025 1.00 0.73 O ATOM 392 CB PRO A 194 8.983 -0.103 -1.117 1.00 0.60 C ATOM 393 CG PRO A 194 9.459 1.032 -1.960 1.00 0.71 C ATOM 394 CD PRO A 194 10.695 0.559 -2.688 1.00 0.63 C ATOM 395 N TYR A 195 7.448 -2.492 -2.319 1.00 0.51 N ATOM 396 CA TYR A 195 6.410 -3.031 -3.176 1.00 0.56 C ATOM 397 C TYR A 195 5.049 -2.559 -2.692 1.00 0.52 C ATOM 398 O TYR A 195 4.932 -1.997 -1.601 1.00 0.58 O ATOM 399 CB TYR A 195 6.470 -4.564 -3.204 1.00 0.62 C ATOM 400 CG TYR A 195 6.350 -5.215 -1.838 1.00 0.65 C ATOM 401 CD1 TYR A 195 7.476 -5.462 -1.061 1.00 0.70 C ATOM 402 CD2 TYR A 195 5.109 -5.593 -1.333 1.00 0.82 C ATOM 403 CE1 TYR A 195 7.369 -6.066 0.178 1.00 0.83 C ATOM 404 CE2 TYR A 195 4.995 -6.193 -0.093 1.00 0.93 C ATOM 405 CZ TYR A 195 6.128 -6.428 0.658 1.00 0.91 C ATOM 406 OH TYR A 195 6.023 -7.039 1.888 1.00 1.10 O ATOM 407 HH TYR A 195 6.924 -7.130 2.288 1.00 0.00 H ATOM 408 H TYR A 195 7.354 -2.585 -1.287 1.00 0.00 H ATOM 409 N VAL A 196 4.031 -2.779 -3.503 1.00 0.50 N ATOM 410 CA VAL A 196 2.684 -2.372 -3.148 1.00 0.48 C ATOM 411 C VAL A 196 1.855 -3.578 -2.739 1.00 0.43 C ATOM 412 O VAL A 196 1.738 -4.554 -3.485 1.00 0.47 O ATOM 413 CB VAL A 196 1.982 -1.637 -4.307 1.00 0.58 C ATOM 414 CG1 VAL A 196 0.646 -1.063 -3.857 1.00 0.66 C ATOM 415 CG2 VAL A 196 2.873 -0.538 -4.859 1.00 0.74 C ATOM 416 H VAL A 196 4.197 -3.253 -4.414 1.00 0.00 H ATOM 417 N LYS A 197 1.298 -3.503 -1.547 1.00 0.42 N ATOM 418 CA LYS A 197 0.476 -4.568 -1.012 1.00 0.44 C ATOM 419 C LYS A 197 -0.834 -3.990 -0.499 1.00 0.41 C ATOM 420 O LYS A 197 -0.831 -3.016 0.249 1.00 0.48 O ATOM 421 CB LYS A 197 1.230 -5.269 0.117 1.00 0.53 C ATOM 422 CG LYS A 197 0.365 -6.174 0.970 1.00 0.73 C ATOM 423 CD LYS A 197 0.265 -7.567 0.385 1.00 1.01 C ATOM 424 CE LYS A 197 -0.052 -8.582 1.463 1.00 1.25 C ATOM 425 NZ LYS A 197 0.897 -8.493 2.605 1.00 1.47 N ATOM 426 HZ1 LYS A 197 1.864 -8.669 2.265 1.00 0.00 H ATOM 427 HZ2 LYS A 197 0.844 -7.543 3.025 1.00 0.00 H ATOM 428 HZ3 LYS A 197 0.645 -9.205 3.320 1.00 0.00 H ATOM 429 H LYS A 197 1.454 -2.651 -0.972 1.00 0.00 H ATOM 430 N LEU A 198 -1.944 -4.582 -0.903 1.00 0.41 N ATOM 431 CA LEU A 198 -3.250 -4.106 -0.480 1.00 0.43 C ATOM 432 C LEU A 198 -4.185 -5.272 -0.211 1.00 0.45 C ATOM 433 O LEU A 198 -4.201 -6.254 -0.953 1.00 0.56 O ATOM 434 CB LEU A 198 -3.857 -3.183 -1.540 1.00 0.60 C ATOM 435 CG LEU A 198 -3.886 -3.751 -2.960 1.00 0.78 C ATOM 436 CD1 LEU A 198 -5.208 -3.433 -3.636 1.00 1.44 C ATOM 437 CD2 LEU A 198 -2.726 -3.205 -3.777 1.00 1.33 C ATOM 438 H LEU A 198 -1.882 -5.405 -1.536 1.00 0.00 H ATOM 439 N LYS A 199 -4.944 -5.170 0.865 1.00 0.51 N ATOM 440 CA LYS A 199 -5.887 -6.211 1.233 1.00 0.66 C ATOM 441 C LYS A 199 -7.131 -5.604 1.867 1.00 0.61 C ATOM 442 O LYS A 199 -7.046 -4.654 2.650 1.00 0.66 O ATOM 443 CB LYS A 199 -5.238 -7.215 2.196 1.00 0.86 C ATOM 444 CG LYS A 199 -4.603 -6.570 3.422 1.00 0.97 C ATOM 445 CD LYS A 199 -3.108 -6.838 3.481 1.00 1.16 C ATOM 446 CE LYS A 199 -2.795 -8.127 4.229 1.00 1.17 C ATOM 447 NZ LYS A 199 -2.495 -7.880 5.665 1.00 1.55 N ATOM 448 HZ1 LYS A 199 -1.671 -7.251 5.742 1.00 0.00 H ATOM 449 HZ2 LYS A 199 -3.318 -7.433 6.118 1.00 0.00 H ATOM 450 HZ3 LYS A 199 -2.288 -8.784 6.135 1.00 0.00 H ATOM 451 H LYS A 199 -4.864 -4.323 1.463 1.00 0.00 H ATOM 452 N LEU A 200 -8.283 -6.144 1.512 1.00 0.63 N ATOM 453 CA LEU A 200 -9.544 -5.674 2.057 1.00 0.64 C ATOM 454 C LEU A 200 -10.052 -6.693 3.064 1.00 0.70 C ATOM 455 O LEU A 200 -10.624 -7.716 2.690 1.00 0.82 O ATOM 456 CB LEU A 200 -10.572 -5.458 0.940 1.00 0.75 C ATOM 457 CG LEU A 200 -11.542 -4.287 1.148 1.00 0.95 C ATOM 458 CD1 LEU A 200 -12.252 -3.954 -0.154 1.00 1.35 C ATOM 459 CD2 LEU A 200 -12.559 -4.606 2.235 1.00 1.31 C ATOM 460 H LEU A 200 -8.287 -6.925 0.825 1.00 0.00 H ATOM 461 N ILE A 201 -9.799 -6.429 4.336 1.00 0.74 N ATOM 462 CA ILE A 201 -10.221 -7.325 5.400 1.00 0.87 C ATOM 463 C ILE A 201 -11.728 -7.232 5.616 1.00 0.92 C ATOM 464 O ILE A 201 -12.328 -6.193 5.361 1.00 0.90 O ATOM 465 CB ILE A 201 -9.490 -7.016 6.724 1.00 0.96 C ATOM 466 CG1 ILE A 201 -9.585 -5.521 7.060 1.00 0.92 C ATOM 467 CG2 ILE A 201 -8.036 -7.456 6.633 1.00 1.07 C ATOM 468 CD1 ILE A 201 -9.097 -5.182 8.452 1.00 1.12 C ATOM 469 H ILE A 201 -9.285 -5.558 4.580 1.00 0.00 H ATOM 470 N PRO A 202 -12.361 -8.314 6.094 1.00 1.04 N ATOM 471 CA PRO A 202 -11.692 -9.562 6.413 1.00 1.11 C ATOM 472 C PRO A 202 -11.662 -10.522 5.229 1.00 1.15 C ATOM 473 O PRO A 202 -12.700 -10.825 4.633 1.00 1.24 O ATOM 474 CB PRO A 202 -12.557 -10.135 7.544 1.00 1.26 C ATOM 475 CG PRO A 202 -13.860 -9.389 7.511 1.00 1.28 C ATOM 476 CD PRO A 202 -13.797 -8.417 6.360 1.00 1.16 C ATOM 477 N ASP A 203 -10.474 -10.997 4.884 1.00 1.16 N ATOM 478 CA ASP A 203 -10.326 -11.926 3.774 1.00 1.25 C ATOM 479 C ASP A 203 -9.722 -13.243 4.251 1.00 1.38 C ATOM 480 O ASP A 203 -8.505 -13.442 4.195 1.00 1.36 O ATOM 481 CB ASP A 203 -9.463 -11.317 2.663 1.00 1.27 C ATOM 482 CG ASP A 203 -9.180 -12.294 1.535 1.00 2.07 C ATOM 483 OD1 ASP A 203 -8.049 -12.282 1.007 1.00 2.19 O ATOM 484 OD2 ASP A 203 -10.083 -13.081 1.172 1.00 2.85 O ATOM 485 H ASP A 203 -9.632 -10.700 5.417 1.00 0.00 H ATOM 486 N PRO A 204 -10.568 -14.162 4.735 1.00 1.62 N ATOM 487 CA PRO A 204 -10.120 -15.464 5.218 1.00 1.85 C ATOM 488 C PRO A 204 -9.899 -16.445 4.073 1.00 1.86 C ATOM 489 O PRO A 204 -9.388 -17.547 4.265 1.00 2.08 O ATOM 490 CB PRO A 204 -11.281 -15.916 6.101 1.00 2.11 C ATOM 491 CG PRO A 204 -12.492 -15.275 5.516 1.00 2.20 C ATOM 492 CD PRO A 204 -12.032 -14.000 4.857 1.00 1.79 C ATOM 493 N LYS A 205 -10.287 -16.020 2.877 1.00 1.71 N ATOM 494 CA LYS A 205 -10.148 -16.840 1.683 1.00 1.77 C ATOM 495 C LYS A 205 -8.779 -16.620 1.057 1.00 1.52 C ATOM 496 O LYS A 205 -8.309 -17.433 0.259 1.00 1.55 O ATOM 497 CB LYS A 205 -11.249 -16.507 0.672 1.00 1.88 C ATOM 498 CG LYS A 205 -12.238 -15.459 1.161 1.00 1.94 C ATOM 499 CD LYS A 205 -13.178 -15.012 0.057 1.00 2.03 C ATOM 500 CE LYS A 205 -13.579 -13.556 0.230 1.00 2.09 C ATOM 501 NZ LYS A 205 -12.448 -12.629 -0.040 1.00 2.14 N ATOM 502 HZ1 LYS A 205 -11.670 -12.832 0.619 1.00 0.00 H ATOM 503 HZ2 LYS A 205 -12.119 -12.761 -1.018 1.00 0.00 H ATOM 504 HZ3 LYS A 205 -12.767 -11.648 0.090 1.00 0.00 H ATOM 505 H LYS A 205 -10.704 -15.071 2.790 1.00 0.00 H ATOM 506 N ASN A 206 -8.160 -15.500 1.423 1.00 1.33 N ATOM 507 CA ASN A 206 -6.830 -15.137 0.938 1.00 1.15 C ATOM 508 C ASN A 206 -6.834 -14.893 -0.567 1.00 1.02 C ATOM 509 O ASN A 206 -5.860 -15.200 -1.258 1.00 1.07 O ATOM 510 CB ASN A 206 -5.812 -16.225 1.297 1.00 1.33 C ATOM 511 CG ASN A 206 -4.573 -15.660 1.955 1.00 1.46 C ATOM 512 OD1 ASN A 206 -3.595 -15.332 1.287 1.00 1.86 O ATOM 513 ND2 ASN A 206 -4.605 -15.545 3.273 1.00 1.79 N ATOM 514 HD22 ASN A 206 -5.454 -15.835 3.800 1.00 0.00 H ATOM 515 HD21 ASN A 206 -3.782 -15.165 3.782 1.00 0.00 H ATOM 516 H ASN A 206 -8.643 -14.856 2.082 1.00 0.00 H ATOM 517 N GLU A 207 -7.920 -14.323 -1.072 1.00 1.02 N ATOM 518 CA GLU A 207 -8.028 -14.047 -2.500 1.00 1.06 C ATOM 519 C GLU A 207 -8.220 -12.556 -2.767 1.00 0.90 C ATOM 520 O GLU A 207 -8.181 -12.114 -3.914 1.00 0.95 O ATOM 521 CB GLU A 207 -9.163 -14.864 -3.129 1.00 1.39 C ATOM 522 CG GLU A 207 -10.534 -14.595 -2.534 1.00 1.34 C ATOM 523 CD GLU A 207 -11.296 -13.525 -3.284 1.00 1.87 C ATOM 524 OE1 GLU A 207 -11.723 -12.544 -2.644 1.00 2.39 O ATOM 525 OE2 GLU A 207 -11.462 -13.660 -4.514 1.00 2.27 O ATOM 526 H GLU A 207 -8.706 -14.069 -0.440 1.00 0.00 H ATOM 527 N SER A 208 -8.430 -11.782 -1.707 1.00 0.84 N ATOM 528 CA SER A 208 -8.612 -10.343 -1.840 1.00 0.76 C ATOM 529 C SER A 208 -7.296 -9.632 -1.560 1.00 0.66 C ATOM 530 O SER A 208 -7.189 -8.411 -1.678 1.00 0.80 O ATOM 531 CB SER A 208 -9.695 -9.847 -0.884 1.00 0.84 C ATOM 532 OG SER A 208 -10.879 -10.613 -1.014 1.00 1.08 O ATOM 533 HG SER A 208 -11.217 -10.541 -1.942 1.00 0.00 H ATOM 534 H SER A 208 -8.465 -12.214 -0.761 1.00 0.00 H ATOM 535 N LYS A 209 -6.301 -10.417 -1.184 1.00 0.67 N ATOM 536 CA LYS A 209 -4.977 -9.902 -0.893 1.00 0.63 C ATOM 537 C LYS A 209 -4.197 -9.728 -2.195 1.00 0.59 C ATOM 538 O LYS A 209 -3.839 -10.707 -2.849 1.00 0.73 O ATOM 539 CB LYS A 209 -4.251 -10.862 0.056 1.00 0.77 C ATOM 540 CG LYS A 209 -2.918 -10.340 0.570 1.00 0.74 C ATOM 541 CD LYS A 209 -2.452 -11.097 1.807 1.00 1.36 C ATOM 542 CE LYS A 209 -2.281 -12.582 1.536 1.00 1.39 C ATOM 543 NZ LYS A 209 -1.724 -13.304 2.711 1.00 1.64 N ATOM 544 HZ1 LYS A 209 -0.792 -12.908 2.950 1.00 0.00 H ATOM 545 HZ2 LYS A 209 -2.367 -13.194 3.521 1.00 0.00 H ATOM 546 HZ3 LYS A 209 -1.624 -14.313 2.481 1.00 0.00 H ATOM 547 H LYS A 209 -6.474 -11.439 -1.094 1.00 0.00 H ATOM 548 N GLN A 210 -3.961 -8.482 -2.576 1.00 0.54 N ATOM 549 CA GLN A 210 -3.234 -8.179 -3.802 1.00 0.58 C ATOM 550 C GLN A 210 -1.826 -7.705 -3.468 1.00 0.54 C ATOM 551 O GLN A 210 -1.620 -6.979 -2.493 1.00 0.63 O ATOM 552 CB GLN A 210 -3.953 -7.096 -4.614 1.00 0.68 C ATOM 553 CG GLN A 210 -5.452 -7.031 -4.372 1.00 1.17 C ATOM 554 CD GLN A 210 -6.225 -8.069 -5.156 1.00 1.06 C ATOM 555 OE1 GLN A 210 -5.840 -8.448 -6.261 1.00 1.19 O ATOM 556 NE2 GLN A 210 -7.321 -8.535 -4.586 1.00 1.30 N ATOM 557 HE22 GLN A 210 -7.609 -8.186 -3.650 1.00 0.00 H ATOM 558 HE21 GLN A 210 -7.896 -9.251 -5.073 1.00 0.00 H ATOM 559 H GLN A 210 -4.304 -7.698 -1.984 1.00 0.00 H ATOM 560 N LYS A 211 -0.862 -8.117 -4.273 1.00 0.61 N ATOM 561 CA LYS A 211 0.522 -7.728 -4.064 1.00 0.62 C ATOM 562 C LYS A 211 1.268 -7.692 -5.388 1.00 0.65 C ATOM 563 O LYS A 211 0.988 -8.481 -6.295 1.00 0.84 O ATOM 564 CB LYS A 211 1.210 -8.696 -3.092 1.00 0.69 C ATOM 565 CG LYS A 211 1.250 -10.139 -3.577 1.00 0.83 C ATOM 566 CD LYS A 211 1.217 -11.119 -2.414 1.00 1.35 C ATOM 567 CE LYS A 211 2.463 -11.016 -1.549 1.00 1.55 C ATOM 568 NZ LYS A 211 3.526 -11.962 -1.976 1.00 2.16 N ATOM 569 HZ1 LYS A 211 3.168 -12.936 -1.911 1.00 0.00 H ATOM 570 HZ2 LYS A 211 3.798 -11.756 -2.959 1.00 0.00 H ATOM 571 HZ3 LYS A 211 4.354 -11.854 -1.356 1.00 0.00 H ATOM 572 H LYS A 211 -1.100 -8.734 -5.075 1.00 0.00 H ATOM 573 N THR A 212 2.194 -6.758 -5.505 1.00 0.56 N ATOM 574 CA THR A 212 2.996 -6.624 -6.706 1.00 0.60 C ATOM 575 C THR A 212 4.476 -6.749 -6.352 1.00 0.59 C ATOM 576 O THR A 212 4.859 -6.611 -5.187 1.00 0.64 O ATOM 577 CB THR A 212 2.730 -5.277 -7.421 1.00 0.64 C ATOM 578 OG1 THR A 212 3.265 -5.305 -8.751 1.00 0.75 O ATOM 579 CG2 THR A 212 3.342 -4.114 -6.653 1.00 0.65 C ATOM 580 HG1 THR A 212 3.088 -4.438 -9.195 1.00 0.00 H ATOM 581 H THR A 212 2.353 -6.101 -4.715 1.00 0.00 H ATOM 582 N LYS A 213 5.299 -7.021 -7.352 1.00 0.62 N ATOM 583 CA LYS A 213 6.727 -7.172 -7.148 1.00 0.65 C ATOM 584 C LYS A 213 7.411 -5.808 -7.167 1.00 0.57 C ATOM 585 O LYS A 213 6.869 -4.843 -7.712 1.00 0.58 O ATOM 586 CB LYS A 213 7.305 -8.085 -8.230 1.00 0.75 C ATOM 587 CG LYS A 213 8.509 -8.885 -7.773 1.00 0.92 C ATOM 588 CD LYS A 213 8.816 -10.027 -8.727 1.00 1.16 C ATOM 589 CE LYS A 213 10.114 -10.725 -8.358 1.00 1.58 C ATOM 590 NZ LYS A 213 11.301 -9.904 -8.706 1.00 2.07 N ATOM 591 HZ1 LYS A 213 11.307 -9.722 -9.730 1.00 0.00 H ATOM 592 HZ2 LYS A 213 11.259 -9.000 -8.193 1.00 0.00 H ATOM 593 HZ3 LYS A 213 12.166 -10.416 -8.438 1.00 0.00 H ATOM 594 H LYS A 213 4.911 -7.129 -8.311 1.00 0.00 H ATOM 595 N THR A 214 8.586 -5.728 -6.561 1.00 0.60 N ATOM 596 CA THR A 214 9.337 -4.482 -6.512 1.00 0.60 C ATOM 597 C THR A 214 9.845 -4.111 -7.906 1.00 0.56 C ATOM 598 O THR A 214 9.940 -4.968 -8.787 1.00 0.62 O ATOM 599 CB THR A 214 10.524 -4.578 -5.525 1.00 0.73 C ATOM 600 OG1 THR A 214 10.993 -3.268 -5.189 1.00 1.79 O ATOM 601 CG2 THR A 214 11.672 -5.386 -6.113 1.00 1.25 C ATOM 602 HG1 THR A 214 10.260 -2.754 -4.766 1.00 0.00 H ATOM 603 H THR A 214 8.982 -6.577 -6.109 1.00 0.00 H ATOM 604 N ILE A 215 10.153 -2.840 -8.109 1.00 0.58 N ATOM 605 CA ILE A 215 10.644 -2.383 -9.398 1.00 0.63 C ATOM 606 C ILE A 215 12.159 -2.575 -9.490 1.00 0.68 C ATOM 607 O ILE A 215 12.627 -3.595 -9.997 1.00 0.89 O ATOM 608 CB ILE A 215 10.280 -0.904 -9.661 1.00 0.74 C ATOM 609 CG1 ILE A 215 8.793 -0.657 -9.382 1.00 0.77 C ATOM 610 CG2 ILE A 215 10.613 -0.520 -11.098 1.00 0.85 C ATOM 611 CD1 ILE A 215 7.866 -1.412 -10.313 1.00 0.77 C ATOM 612 H ILE A 215 10.042 -2.157 -7.333 1.00 0.00 H ATOM 613 N ARG A 216 12.924 -1.612 -8.975 1.00 0.73 N ATOM 614 CA ARG A 216 14.381 -1.699 -9.014 1.00 0.83 C ATOM 615 C ARG A 216 15.024 -0.602 -8.177 1.00 0.79 C ATOM 616 O ARG A 216 14.339 0.132 -7.465 1.00 1.33 O ATOM 617 CB ARG A 216 14.904 -1.634 -10.456 1.00 1.08 C ATOM 618 CG ARG A 216 14.541 -0.361 -11.198 1.00 1.20 C ATOM 619 CD ARG A 216 15.043 -0.405 -12.629 1.00 1.50 C ATOM 620 NE ARG A 216 14.350 0.542 -13.491 1.00 1.68 N ATOM 621 CZ ARG A 216 14.499 0.585 -14.810 1.00 1.96 C ATOM 622 NH1 ARG A 216 15.322 -0.265 -15.414 1.00 2.17 N ATOM 623 NH2 ARG A 216 13.823 1.476 -15.521 1.00 2.25 N ATOM 624 HE ARG A 216 13.701 1.224 -13.048 1.00 0.00 H ATOM 625 HH12 ARG A 216 15.438 -0.231 -16.447 1.00 0.00 H ATOM 626 HH11 ARG A 216 15.850 -0.964 -14.854 1.00 0.00 H ATOM 627 HH22 ARG A 216 13.938 1.512 -16.554 1.00 0.00 H ATOM 628 HH21 ARG A 216 13.178 2.139 -15.046 1.00 0.00 H ATOM 629 H ARG A 216 12.474 -0.783 -8.537 1.00 0.00 H ATOM 630 N SER A 217 16.344 -0.509 -8.276 1.00 1.07 N ATOM 631 CA SER A 217 17.124 0.470 -7.539 1.00 1.08 C ATOM 632 C SER A 217 16.810 1.903 -7.968 1.00 0.93 C ATOM 633 O SER A 217 17.341 2.395 -8.965 1.00 0.99 O ATOM 634 CB SER A 217 18.608 0.174 -7.749 1.00 1.30 C ATOM 635 OG SER A 217 18.779 -1.033 -8.477 1.00 1.54 O ATOM 636 HG SER A 217 19.745 -1.207 -8.603 1.00 0.00 H ATOM 637 H SER A 217 16.842 -1.166 -8.909 1.00 0.00 H ATOM 638 N THR A 218 15.938 2.560 -7.214 1.00 0.81 N ATOM 639 CA THR A 218 15.561 3.936 -7.483 1.00 0.69 C ATOM 640 C THR A 218 14.736 4.475 -6.316 1.00 0.63 C ATOM 641 O THR A 218 14.018 3.722 -5.659 1.00 0.74 O ATOM 642 CB THR A 218 14.774 4.064 -8.813 1.00 0.67 C ATOM 643 OG1 THR A 218 14.690 5.441 -9.208 1.00 0.70 O ATOM 644 CG2 THR A 218 13.373 3.481 -8.695 1.00 0.66 C ATOM 645 HG1 THR A 218 14.186 5.509 -10.057 1.00 0.00 H ATOM 646 H THR A 218 15.509 2.072 -6.402 1.00 0.00 H ATOM 647 N LEU A 219 14.857 5.767 -6.043 1.00 0.57 N ATOM 648 CA LEU A 219 14.123 6.382 -4.943 1.00 0.57 C ATOM 649 C LEU A 219 12.789 6.944 -5.422 1.00 0.50 C ATOM 650 O LEU A 219 12.060 7.576 -4.659 1.00 0.59 O ATOM 651 CB LEU A 219 14.963 7.486 -4.294 1.00 0.64 C ATOM 652 CG LEU A 219 16.259 7.010 -3.627 1.00 0.95 C ATOM 653 CD1 LEU A 219 17.053 8.190 -3.098 1.00 1.79 C ATOM 654 CD2 LEU A 219 15.959 6.029 -2.502 1.00 1.00 C ATOM 655 H LEU A 219 15.488 6.354 -6.625 1.00 0.00 H ATOM 656 N ASN A 220 12.477 6.709 -6.691 1.00 0.45 N ATOM 657 CA ASN A 220 11.222 7.176 -7.280 1.00 0.46 C ATOM 658 C ASN A 220 10.663 6.109 -8.221 1.00 0.43 C ATOM 659 O ASN A 220 10.702 6.267 -9.441 1.00 0.50 O ATOM 660 CB ASN A 220 11.430 8.490 -8.053 1.00 0.57 C ATOM 661 CG ASN A 220 11.840 9.654 -7.167 1.00 1.25 C ATOM 662 OD1 ASN A 220 11.000 10.345 -6.591 1.00 2.31 O ATOM 663 ND2 ASN A 220 13.137 9.896 -7.069 1.00 1.11 N ATOM 664 HD22 ASN A 220 13.818 9.291 -7.570 1.00 0.00 H ATOM 665 HD21 ASN A 220 13.475 10.692 -6.491 1.00 0.00 H ATOM 666 H ASN A 220 13.145 6.177 -7.284 1.00 0.00 H ATOM 667 N PRO A 221 10.154 4.994 -7.671 1.00 0.41 N ATOM 668 CA PRO A 221 9.611 3.887 -8.456 1.00 0.42 C ATOM 669 C PRO A 221 8.141 4.072 -8.836 1.00 0.42 C ATOM 670 O PRO A 221 7.349 4.608 -8.062 1.00 0.49 O ATOM 671 CB PRO A 221 9.765 2.679 -7.514 1.00 0.45 C ATOM 672 CG PRO A 221 10.249 3.216 -6.199 1.00 0.51 C ATOM 673 CD PRO A 221 10.062 4.707 -6.240 1.00 0.45 C ATOM 674 N GLN A 222 7.791 3.621 -10.039 1.00 0.41 N ATOM 675 CA GLN A 222 6.421 3.702 -10.529 1.00 0.43 C ATOM 676 C GLN A 222 5.904 2.300 -10.818 1.00 0.42 C ATOM 677 O GLN A 222 6.608 1.489 -11.420 1.00 0.49 O ATOM 678 CB GLN A 222 6.340 4.567 -11.793 1.00 0.51 C ATOM 679 CG GLN A 222 4.933 4.674 -12.367 1.00 0.64 C ATOM 680 CD GLN A 222 4.834 5.661 -13.513 1.00 0.82 C ATOM 681 OE1 GLN A 222 5.028 5.302 -14.677 1.00 1.12 O ATOM 682 NE2 GLN A 222 4.522 6.910 -13.196 1.00 1.60 N ATOM 683 HE22 GLN A 222 4.367 7.171 -12.201 1.00 0.00 H ATOM 684 HE21 GLN A 222 4.433 7.629 -13.942 1.00 0.00 H ATOM 685 H GLN A 222 8.519 3.197 -10.649 1.00 0.00 H ATOM 686 N TRP A 223 4.688 2.015 -10.381 1.00 0.45 N ATOM 687 CA TRP A 223 4.093 0.702 -10.588 1.00 0.48 C ATOM 688 C TRP A 223 2.992 0.765 -11.635 1.00 0.50 C ATOM 689 O TRP A 223 2.974 -0.033 -12.573 1.00 0.58 O ATOM 690 CB TRP A 223 3.530 0.154 -9.274 1.00 0.47 C ATOM 691 CG TRP A 223 4.593 -0.210 -8.281 1.00 0.47 C ATOM 692 CD1 TRP A 223 5.161 -1.439 -8.102 1.00 0.57 C ATOM 693 CD2 TRP A 223 5.214 0.663 -7.329 1.00 0.45 C ATOM 694 NE1 TRP A 223 6.104 -1.383 -7.104 1.00 0.62 N ATOM 695 CE2 TRP A 223 6.153 -0.104 -6.610 1.00 0.55 C ATOM 696 CE3 TRP A 223 5.068 2.016 -7.014 1.00 0.46 C ATOM 697 CZ2 TRP A 223 6.943 0.443 -5.601 1.00 0.62 C ATOM 698 CZ3 TRP A 223 5.851 2.555 -6.011 1.00 0.56 C ATOM 699 CH2 TRP A 223 6.778 1.769 -5.314 1.00 0.62 C ATOM 700 HE1 TRP A 223 6.686 -2.180 -6.776 1.00 0.00 H ATOM 701 H TRP A 223 4.145 2.745 -9.878 1.00 0.00 H ATOM 702 N ASN A 224 2.076 1.716 -11.458 1.00 0.47 N ATOM 703 CA ASN A 224 0.951 1.910 -12.376 1.00 0.51 C ATOM 704 C ASN A 224 0.062 0.669 -12.423 1.00 0.52 C ATOM 705 O ASN A 224 -0.553 0.370 -13.443 1.00 0.66 O ATOM 706 CB ASN A 224 1.449 2.266 -13.784 1.00 0.60 C ATOM 707 CG ASN A 224 0.961 3.626 -14.245 1.00 0.87 C ATOM 708 OD1 ASN A 224 1.550 4.653 -13.911 1.00 1.55 O ATOM 709 ND2 ASN A 224 -0.111 3.644 -15.023 1.00 1.22 N ATOM 710 HD22 ASN A 224 -0.580 2.753 -15.282 1.00 0.00 H ATOM 711 HD21 ASN A 224 -0.483 4.549 -15.374 1.00 0.00 H ATOM 712 H ASN A 224 2.163 2.346 -10.635 1.00 0.00 H ATOM 713 N GLU A 225 -0.008 -0.042 -11.305 1.00 0.49 N ATOM 714 CA GLU A 225 -0.822 -1.248 -11.215 1.00 0.52 C ATOM 715 C GLU A 225 -2.272 -0.887 -10.915 1.00 0.50 C ATOM 716 O GLU A 225 -2.541 0.021 -10.129 1.00 0.55 O ATOM 717 CB GLU A 225 -0.272 -2.182 -10.135 1.00 0.57 C ATOM 718 CG GLU A 225 0.996 -2.911 -10.547 1.00 0.68 C ATOM 719 CD GLU A 225 0.743 -3.947 -11.623 1.00 0.71 C ATOM 720 OE1 GLU A 225 0.961 -3.640 -12.813 1.00 1.21 O ATOM 721 OE2 GLU A 225 0.320 -5.069 -11.284 1.00 1.25 O ATOM 722 H GLU A 225 0.531 0.269 -10.472 1.00 0.00 H ATOM 723 N SER A 226 -3.202 -1.593 -11.545 1.00 0.52 N ATOM 724 CA SER A 226 -4.622 -1.329 -11.349 1.00 0.53 C ATOM 725 C SER A 226 -5.360 -2.586 -10.894 1.00 0.54 C ATOM 726 O SER A 226 -5.447 -3.572 -11.630 1.00 0.67 O ATOM 727 CB SER A 226 -5.225 -0.805 -12.652 1.00 0.65 C ATOM 728 OG SER A 226 -4.294 0.009 -13.347 1.00 1.44 O ATOM 729 HG SER A 226 -4.705 0.336 -14.186 1.00 0.00 H ATOM 730 H SER A 226 -2.911 -2.352 -12.194 1.00 0.00 H ATOM 731 N PHE A 227 -5.896 -2.544 -9.684 1.00 0.51 N ATOM 732 CA PHE A 227 -6.626 -3.673 -9.126 1.00 0.58 C ATOM 733 C PHE A 227 -8.098 -3.315 -8.973 1.00 0.59 C ATOM 734 O PHE A 227 -8.438 -2.169 -8.681 1.00 0.56 O ATOM 735 CB PHE A 227 -6.038 -4.068 -7.767 1.00 0.64 C ATOM 736 CG PHE A 227 -4.549 -4.274 -7.794 1.00 0.71 C ATOM 737 CD1 PHE A 227 -3.692 -3.285 -7.342 1.00 0.76 C ATOM 738 CD2 PHE A 227 -4.009 -5.455 -8.275 1.00 0.95 C ATOM 739 CE1 PHE A 227 -2.323 -3.471 -7.366 1.00 0.90 C ATOM 740 CE2 PHE A 227 -2.640 -5.648 -8.302 1.00 1.09 C ATOM 741 CZ PHE A 227 -1.797 -4.655 -7.847 1.00 1.01 C ATOM 742 H PHE A 227 -5.792 -1.679 -9.116 1.00 0.00 H ATOM 743 N THR A 228 -8.971 -4.279 -9.201 1.00 0.74 N ATOM 744 CA THR A 228 -10.399 -4.050 -9.076 1.00 0.79 C ATOM 745 C THR A 228 -11.081 -5.256 -8.441 1.00 0.98 C ATOM 746 O THR A 228 -11.172 -6.325 -9.045 1.00 1.19 O ATOM 747 CB THR A 228 -11.037 -3.746 -10.446 1.00 0.89 C ATOM 748 OG1 THR A 228 -10.160 -2.898 -11.202 1.00 1.21 O ATOM 749 CG2 THR A 228 -12.383 -3.056 -10.277 1.00 0.89 C ATOM 750 HG1 THR A 228 -10.015 -2.052 -10.709 1.00 0.00 H ATOM 751 H THR A 228 -8.629 -5.222 -9.476 1.00 0.00 H ATOM 752 N PHE A 229 -11.545 -5.079 -7.213 1.00 1.00 N ATOM 753 CA PHE A 229 -12.209 -6.148 -6.481 1.00 1.22 C ATOM 754 C PHE A 229 -13.086 -5.563 -5.383 1.00 1.06 C ATOM 755 O PHE A 229 -13.020 -4.365 -5.107 1.00 1.18 O ATOM 756 CB PHE A 229 -11.176 -7.113 -5.880 1.00 1.67 C ATOM 757 CG PHE A 229 -10.296 -6.494 -4.825 1.00 1.00 C ATOM 758 CD1 PHE A 229 -9.333 -5.557 -5.164 1.00 1.40 C ATOM 759 CD2 PHE A 229 -10.434 -6.855 -3.493 1.00 1.37 C ATOM 760 CE1 PHE A 229 -8.526 -4.992 -4.197 1.00 1.62 C ATOM 761 CE2 PHE A 229 -9.628 -6.291 -2.522 1.00 1.66 C ATOM 762 CZ PHE A 229 -8.674 -5.359 -2.875 1.00 1.59 C ATOM 763 H PHE A 229 -11.432 -4.150 -6.759 1.00 0.00 H ATOM 764 N LYS A 230 -13.906 -6.395 -4.767 1.00 0.92 N ATOM 765 CA LYS A 230 -14.785 -5.944 -3.702 1.00 0.95 C ATOM 766 C LYS A 230 -15.167 -7.111 -2.805 1.00 0.91 C ATOM 767 O LYS A 230 -15.266 -8.248 -3.266 1.00 0.92 O ATOM 768 CB LYS A 230 -16.043 -5.305 -4.293 1.00 0.98 C ATOM 769 CG LYS A 230 -16.714 -4.291 -3.378 1.00 1.31 C ATOM 770 CD LYS A 230 -15.808 -3.103 -3.089 1.00 1.42 C ATOM 771 CE LYS A 230 -16.591 -1.919 -2.539 1.00 1.91 C ATOM 772 NZ LYS A 230 -17.430 -2.297 -1.372 1.00 2.45 N ATOM 773 HZ1 LYS A 230 -18.109 -3.031 -1.658 1.00 0.00 H ATOM 774 HZ2 LYS A 230 -16.821 -2.664 -0.613 1.00 0.00 H ATOM 775 HZ3 LYS A 230 -17.945 -1.460 -1.031 1.00 0.00 H ATOM 776 H LYS A 230 -13.923 -7.395 -5.051 1.00 0.00 H ATOM 777 N LEU A 231 -15.370 -6.831 -1.528 1.00 1.05 N ATOM 778 CA LEU A 231 -15.745 -7.861 -0.571 1.00 1.17 C ATOM 779 C LEU A 231 -17.262 -7.926 -0.449 1.00 1.16 C ATOM 780 O LEU A 231 -17.982 -7.359 -1.275 1.00 1.14 O ATOM 781 CB LEU A 231 -15.116 -7.565 0.798 1.00 1.35 C ATOM 782 CG LEU A 231 -13.763 -8.234 1.075 1.00 1.63 C ATOM 783 CD1 LEU A 231 -13.950 -9.702 1.428 1.00 2.53 C ATOM 784 CD2 LEU A 231 -12.826 -8.087 -0.117 1.00 1.67 C ATOM 785 H LEU A 231 -15.259 -5.850 -1.200 1.00 0.00 H ATOM 786 N LYS A 232 -17.745 -8.623 0.573 1.00 1.22 N ATOM 787 CA LYS A 232 -19.178 -8.739 0.810 1.00 1.23 C ATOM 788 C LYS A 232 -19.769 -7.365 1.130 1.00 1.08 C ATOM 789 O LYS A 232 -19.030 -6.435 1.440 1.00 1.02 O ATOM 790 CB LYS A 232 -19.444 -9.724 1.954 1.00 1.38 C ATOM 791 CG LYS A 232 -19.430 -11.180 1.513 1.00 1.55 C ATOM 792 CD LYS A 232 -19.800 -12.116 2.653 1.00 1.97 C ATOM 793 CE LYS A 232 -18.705 -12.180 3.704 1.00 2.68 C ATOM 794 NZ LYS A 232 -18.969 -13.233 4.718 1.00 3.63 N ATOM 795 HZ1 LYS A 232 -19.870 -13.032 5.198 1.00 0.00 H ATOM 796 HZ2 LYS A 232 -19.024 -14.159 4.248 1.00 0.00 H ATOM 797 HZ3 LYS A 232 -18.198 -13.242 5.416 1.00 0.00 H ATOM 798 H LYS A 232 -17.084 -9.098 1.220 1.00 0.00 H ATOM 799 N PRO A 233 -21.106 -7.208 1.057 1.00 1.12 N ATOM 800 CA PRO A 233 -21.774 -5.926 1.337 1.00 1.10 C ATOM 801 C PRO A 233 -21.433 -5.355 2.714 1.00 0.89 C ATOM 802 O PRO A 233 -21.623 -4.164 2.963 1.00 0.88 O ATOM 803 CB PRO A 233 -23.262 -6.269 1.266 1.00 1.33 C ATOM 804 CG PRO A 233 -23.343 -7.494 0.428 1.00 1.40 C ATOM 805 CD PRO A 233 -22.072 -8.256 0.672 1.00 1.31 C ATOM 806 N SER A 234 -20.927 -6.201 3.600 1.00 0.89 N ATOM 807 CA SER A 234 -20.560 -5.784 4.944 1.00 0.93 C ATOM 808 C SER A 234 -19.107 -5.299 5.002 1.00 0.88 C ATOM 809 O SER A 234 -18.453 -5.393 6.039 1.00 1.01 O ATOM 810 CB SER A 234 -20.768 -6.953 5.907 1.00 1.22 C ATOM 811 OG SER A 234 -20.693 -8.195 5.219 1.00 1.73 O ATOM 812 HG SER A 234 -20.830 -8.936 5.861 1.00 0.00 H ATOM 813 H SER A 234 -20.788 -7.194 3.325 1.00 0.00 H ATOM 814 N ASP A 235 -18.607 -4.780 3.885 1.00 0.88 N ATOM 815 CA ASP A 235 -17.236 -4.282 3.818 1.00 1.05 C ATOM 816 C ASP A 235 -17.198 -2.762 3.915 1.00 0.90 C ATOM 817 O ASP A 235 -16.133 -2.158 3.843 1.00 0.96 O ATOM 818 CB ASP A 235 -16.543 -4.746 2.524 1.00 1.36 C ATOM 819 CG ASP A 235 -17.022 -4.016 1.276 1.00 1.42 C ATOM 820 OD1 ASP A 235 -18.203 -3.601 1.222 1.00 1.79 O ATOM 821 OD2 ASP A 235 -16.223 -3.872 0.322 1.00 1.65 O ATOM 822 H ASP A 235 -19.207 -4.727 3.037 1.00 0.00 H ATOM 823 N LYS A 236 -18.361 -2.147 4.112 1.00 0.79 N ATOM 824 CA LYS A 236 -18.451 -0.693 4.209 1.00 0.79 C ATOM 825 C LYS A 236 -17.720 -0.182 5.446 1.00 0.86 C ATOM 826 O LYS A 236 -17.072 0.865 5.412 1.00 1.08 O ATOM 827 CB LYS A 236 -19.909 -0.240 4.258 1.00 0.84 C ATOM 828 CG LYS A 236 -20.759 -0.792 3.129 1.00 1.37 C ATOM 829 CD LYS A 236 -22.130 -0.136 3.103 1.00 2.05 C ATOM 830 CE LYS A 236 -23.125 -0.938 2.283 1.00 2.96 C ATOM 831 NZ LYS A 236 -23.526 -2.192 2.970 1.00 3.94 N ATOM 832 HZ1 LYS A 236 -22.685 -2.782 3.130 1.00 0.00 H ATOM 833 HZ2 LYS A 236 -23.967 -1.960 3.883 1.00 0.00 H ATOM 834 HZ3 LYS A 236 -24.206 -2.709 2.376 1.00 0.00 H ATOM 835 H LYS A 236 -19.227 -2.716 4.199 1.00 0.00 H ATOM 836 N ASP A 237 -17.814 -0.932 6.533 1.00 0.91 N ATOM 837 CA ASP A 237 -17.168 -0.551 7.785 1.00 1.07 C ATOM 838 C ASP A 237 -15.711 -1.000 7.794 1.00 1.13 C ATOM 839 O ASP A 237 -14.979 -0.760 8.756 1.00 1.49 O ATOM 840 CB ASP A 237 -17.920 -1.149 8.984 1.00 1.23 C ATOM 841 CG ASP A 237 -17.864 -2.662 9.020 1.00 1.01 C ATOM 842 OD1 ASP A 237 -17.059 -3.213 9.799 1.00 1.26 O ATOM 843 OD2 ASP A 237 -18.625 -3.308 8.267 1.00 1.38 O ATOM 844 H ASP A 237 -18.362 -1.815 6.494 1.00 0.00 H ATOM 845 N ARG A 238 -15.290 -1.633 6.705 1.00 0.90 N ATOM 846 CA ARG A 238 -13.926 -2.118 6.580 1.00 0.97 C ATOM 847 C ARG A 238 -13.057 -1.082 5.874 1.00 0.84 C ATOM 848 O ARG A 238 -13.566 -0.115 5.301 1.00 0.89 O ATOM 849 CB ARG A 238 -13.899 -3.440 5.815 1.00 1.05 C ATOM 850 CG ARG A 238 -14.669 -4.563 6.500 1.00 1.25 C ATOM 851 CD ARG A 238 -14.052 -4.938 7.839 1.00 1.42 C ATOM 852 NE ARG A 238 -14.622 -4.161 8.940 1.00 2.09 N ATOM 853 CZ ARG A 238 -13.956 -3.804 10.040 1.00 2.50 C ATOM 854 NH1 ARG A 238 -12.687 -4.153 10.206 1.00 2.36 N ATOM 855 NH2 ARG A 238 -14.570 -3.089 10.974 1.00 3.27 N ATOM 856 HE ARG A 238 -15.616 -3.866 8.860 1.00 0.00 H ATOM 857 HH12 ARG A 238 -12.178 -3.869 11.067 1.00 0.00 H ATOM 858 HH11 ARG A 238 -12.201 -4.710 9.475 1.00 0.00 H ATOM 859 HH22 ARG A 238 -14.057 -2.807 11.834 1.00 0.00 H ATOM 860 HH21 ARG A 238 -15.564 -2.810 10.846 1.00 0.00 H ATOM 861 H ARG A 238 -15.955 -1.786 5.920 1.00 0.00 H ATOM 862 N ARG A 239 -11.746 -1.283 5.916 1.00 0.75 N ATOM 863 CA ARG A 239 -10.818 -0.350 5.294 1.00 0.67 C ATOM 864 C ARG A 239 -9.796 -1.068 4.425 1.00 0.59 C ATOM 865 O ARG A 239 -9.288 -2.130 4.790 1.00 0.64 O ATOM 866 CB ARG A 239 -10.076 0.458 6.358 1.00 0.79 C ATOM 867 CG ARG A 239 -10.984 1.152 7.349 1.00 0.90 C ATOM 868 CD ARG A 239 -10.185 1.827 8.446 1.00 1.02 C ATOM 869 NE ARG A 239 -10.820 3.064 8.882 1.00 1.74 N ATOM 870 CZ ARG A 239 -10.347 4.280 8.613 1.00 2.66 C ATOM 871 NH1 ARG A 239 -9.219 4.428 7.919 1.00 3.13 N ATOM 872 NH2 ARG A 239 -11.001 5.351 9.036 1.00 3.55 N ATOM 873 HE ARG A 239 -11.696 2.993 9.437 1.00 0.00 H ATOM 874 HH12 ARG A 239 -8.856 5.381 7.713 1.00 0.00 H ATOM 875 HH11 ARG A 239 -8.701 3.591 7.583 1.00 0.00 H ATOM 876 HH22 ARG A 239 -10.633 6.301 8.827 1.00 0.00 H ATOM 877 HH21 ARG A 239 -11.882 5.242 9.577 1.00 0.00 H ATOM 878 H ARG A 239 -11.374 -2.124 6.403 1.00 0.00 H ATOM 879 N LEU A 240 -9.506 -0.481 3.272 1.00 0.55 N ATOM 880 CA LEU A 240 -8.513 -1.026 2.361 1.00 0.51 C ATOM 881 C LEU A 240 -7.140 -0.814 2.986 1.00 0.44 C ATOM 882 O LEU A 240 -6.664 0.317 3.080 1.00 0.48 O ATOM 883 CB LEU A 240 -8.609 -0.329 0.991 1.00 0.60 C ATOM 884 CG LEU A 240 -8.031 -1.095 -0.209 1.00 0.64 C ATOM 885 CD1 LEU A 240 -6.516 -1.008 -0.234 1.00 1.38 C ATOM 886 CD2 LEU A 240 -8.478 -2.546 -0.192 1.00 1.41 C ATOM 887 H LEU A 240 -10.003 0.395 3.012 1.00 0.00 H ATOM 888 N SER A 241 -6.520 -1.890 3.434 1.00 0.46 N ATOM 889 CA SER A 241 -5.226 -1.797 4.088 1.00 0.50 C ATOM 890 C SER A 241 -4.073 -1.910 3.096 1.00 0.41 C ATOM 891 O SER A 241 -3.911 -2.932 2.427 1.00 0.49 O ATOM 892 CB SER A 241 -5.115 -2.881 5.155 1.00 0.68 C ATOM 893 OG SER A 241 -6.283 -2.910 5.958 1.00 1.14 O ATOM 894 HG SER A 241 -7.070 -3.099 5.388 1.00 0.00 H ATOM 895 H SER A 241 -6.966 -2.822 3.317 1.00 0.00 H ATOM 896 N VAL A 242 -3.285 -0.846 3.003 1.00 0.40 N ATOM 897 CA VAL A 242 -2.129 -0.814 2.119 1.00 0.40 C ATOM 898 C VAL A 242 -0.851 -0.947 2.943 1.00 0.44 C ATOM 899 O VAL A 242 -0.562 -0.102 3.796 1.00 0.57 O ATOM 900 CB VAL A 242 -2.065 0.492 1.296 1.00 0.49 C ATOM 901 CG1 VAL A 242 -0.937 0.438 0.277 1.00 0.97 C ATOM 902 CG2 VAL A 242 -3.393 0.762 0.607 1.00 0.87 C ATOM 903 H VAL A 242 -3.500 -0.008 3.580 1.00 0.00 H ATOM 904 N GLU A 243 -0.105 -2.015 2.693 1.00 0.42 N ATOM 905 CA GLU A 243 1.135 -2.281 3.411 1.00 0.50 C ATOM 906 C GLU A 243 2.340 -2.055 2.502 1.00 0.45 C ATOM 907 O GLU A 243 2.609 -2.855 1.604 1.00 0.53 O ATOM 908 CB GLU A 243 1.150 -3.723 3.931 1.00 0.61 C ATOM 909 CG GLU A 243 -0.135 -4.135 4.633 1.00 0.68 C ATOM 910 CD GLU A 243 -0.187 -5.619 4.943 1.00 0.73 C ATOM 911 OE1 GLU A 243 0.145 -6.432 4.060 1.00 1.24 O ATOM 912 OE2 GLU A 243 -0.586 -5.982 6.069 1.00 1.17 O ATOM 913 H GLU A 243 -0.415 -2.685 1.960 1.00 0.00 H ATOM 914 N ILE A 244 3.056 -0.966 2.726 1.00 0.42 N ATOM 915 CA ILE A 244 4.227 -0.657 1.923 1.00 0.42 C ATOM 916 C ILE A 244 5.497 -1.026 2.676 1.00 0.42 C ATOM 917 O ILE A 244 5.878 -0.359 3.639 1.00 0.46 O ATOM 918 CB ILE A 244 4.275 0.833 1.540 1.00 0.50 C ATOM 919 CG1 ILE A 244 2.944 1.262 0.914 1.00 0.65 C ATOM 920 CG2 ILE A 244 5.427 1.091 0.580 1.00 0.61 C ATOM 921 CD1 ILE A 244 2.742 2.763 0.866 1.00 0.95 C ATOM 922 H ILE A 244 2.776 -0.319 3.491 1.00 0.00 H ATOM 923 N TRP A 245 6.137 -2.098 2.245 1.00 0.43 N ATOM 924 CA TRP A 245 7.358 -2.565 2.885 1.00 0.47 C ATOM 925 C TRP A 245 8.511 -2.631 1.892 1.00 0.46 C ATOM 926 O TRP A 245 8.298 -2.824 0.691 1.00 0.47 O ATOM 927 CB TRP A 245 7.130 -3.951 3.500 1.00 0.56 C ATOM 928 CG TRP A 245 6.397 -3.927 4.807 1.00 0.68 C ATOM 929 CD1 TRP A 245 5.064 -3.703 5.001 1.00 0.88 C ATOM 930 CD2 TRP A 245 6.959 -4.146 6.105 1.00 0.70 C ATOM 931 NE1 TRP A 245 4.765 -3.762 6.342 1.00 0.97 N ATOM 932 CE2 TRP A 245 5.912 -4.036 7.039 1.00 0.86 C ATOM 933 CE3 TRP A 245 8.248 -4.426 6.567 1.00 0.71 C ATOM 934 CZ2 TRP A 245 6.116 -4.193 8.408 1.00 0.95 C ATOM 935 CZ3 TRP A 245 8.448 -4.582 7.925 1.00 0.86 C ATOM 936 CH2 TRP A 245 7.387 -4.466 8.831 1.00 0.94 C ATOM 937 HE1 TRP A 245 3.823 -3.622 6.759 1.00 0.00 H ATOM 938 H TRP A 245 5.760 -2.621 1.429 1.00 0.00 H ATOM 939 N ASP A 246 9.728 -2.459 2.397 1.00 0.51 N ATOM 940 CA ASP A 246 10.921 -2.524 1.563 1.00 0.53 C ATOM 941 C ASP A 246 11.416 -3.963 1.504 1.00 0.50 C ATOM 942 O ASP A 246 11.856 -4.521 2.512 1.00 0.53 O ATOM 943 CB ASP A 246 12.018 -1.589 2.098 1.00 0.57 C ATOM 944 CG ASP A 246 13.407 -1.940 1.580 1.00 0.54 C ATOM 945 OD1 ASP A 246 13.657 -1.791 0.369 1.00 0.66 O ATOM 946 OD2 ASP A 246 14.265 -2.380 2.376 1.00 0.68 O ATOM 947 H ASP A 246 9.832 -2.273 3.415 1.00 0.00 H ATOM 948 N TRP A 247 11.302 -4.567 0.330 1.00 0.51 N ATOM 949 CA TRP A 247 11.728 -5.944 0.132 1.00 0.51 C ATOM 950 C TRP A 247 13.246 -6.022 0.126 1.00 0.50 C ATOM 951 O TRP A 247 13.911 -5.157 -0.442 1.00 0.56 O ATOM 952 CB TRP A 247 11.156 -6.486 -1.181 1.00 0.63 C ATOM 953 CG TRP A 247 11.381 -7.951 -1.378 1.00 0.69 C ATOM 954 CD1 TRP A 247 11.964 -8.546 -2.456 1.00 0.89 C ATOM 955 CD2 TRP A 247 11.025 -9.007 -0.478 1.00 1.70 C ATOM 956 NE1 TRP A 247 11.988 -9.907 -2.287 1.00 0.85 N ATOM 957 CE2 TRP A 247 11.424 -10.216 -1.079 1.00 1.50 C ATOM 958 CE3 TRP A 247 10.412 -9.050 0.778 1.00 2.94 C ATOM 959 CZ2 TRP A 247 11.228 -11.450 -0.468 1.00 2.41 C ATOM 960 CZ3 TRP A 247 10.218 -10.275 1.381 1.00 3.87 C ATOM 961 CH2 TRP A 247 10.626 -11.461 0.759 1.00 3.58 C ATOM 962 HE1 TRP A 247 12.373 -10.593 -2.967 1.00 0.00 H ATOM 963 H TRP A 247 10.897 -4.042 -0.472 1.00 0.00 H ATOM 964 N ASP A 248 13.799 -7.040 0.767 1.00 0.53 N ATOM 965 CA ASP A 248 15.245 -7.186 0.815 1.00 0.64 C ATOM 966 C ASP A 248 15.695 -8.511 0.211 1.00 0.83 C ATOM 967 O ASP A 248 16.534 -9.211 0.781 1.00 1.30 O ATOM 968 CB ASP A 248 15.759 -7.036 2.250 1.00 0.67 C ATOM 969 CG ASP A 248 15.943 -5.581 2.642 1.00 0.61 C ATOM 970 OD1 ASP A 248 15.656 -4.685 1.819 1.00 0.58 O ATOM 971 OD2 ASP A 248 16.373 -5.306 3.779 1.00 0.76 O ATOM 972 H ASP A 248 13.194 -7.741 1.240 1.00 0.00 H ATOM 973 N ARG A 249 15.114 -8.842 -0.946 1.00 1.01 N ATOM 974 CA ARG A 249 15.440 -10.056 -1.709 1.00 1.27 C ATOM 975 C ARG A 249 14.988 -11.351 -1.029 1.00 1.80 C ATOM 976 O ARG A 249 14.154 -12.079 -1.569 1.00 2.67 O ATOM 977 CB ARG A 249 16.939 -10.116 -2.009 1.00 1.45 C ATOM 978 CG ARG A 249 17.344 -9.287 -3.216 1.00 1.85 C ATOM 979 CD ARG A 249 18.687 -8.610 -3.002 1.00 2.30 C ATOM 980 NE ARG A 249 19.779 -9.570 -2.861 1.00 2.76 N ATOM 981 CZ ARG A 249 21.005 -9.242 -2.463 1.00 3.49 C ATOM 982 NH1 ARG A 249 21.296 -7.979 -2.170 1.00 3.91 N ATOM 983 NH2 ARG A 249 21.944 -10.175 -2.357 1.00 4.20 N ATOM 984 HE ARG A 249 19.587 -10.567 -3.085 1.00 0.00 H ATOM 985 HH12 ARG A 249 22.255 -7.725 -1.859 1.00 0.00 H ATOM 986 HH11 ARG A 249 20.564 -7.244 -2.252 1.00 0.00 H ATOM 987 HH22 ARG A 249 22.902 -9.916 -2.046 1.00 0.00 H ATOM 988 HH21 ARG A 249 21.722 -11.165 -2.585 1.00 0.00 H ATOM 989 H ARG A 249 14.388 -8.203 -1.329 1.00 0.00 H ATOM 990 N THR A 250 15.533 -11.645 0.139 1.00 1.92 N ATOM 991 CA THR A 250 15.192 -12.875 0.839 1.00 2.85 C ATOM 992 C THR A 250 14.074 -12.666 1.863 1.00 2.80 C ATOM 993 O THR A 250 13.189 -13.512 2.005 1.00 3.31 O ATOM 994 CB THR A 250 16.435 -13.491 1.528 1.00 3.64 C ATOM 995 OG1 THR A 250 16.050 -14.557 2.408 1.00 4.05 O ATOM 996 CG2 THR A 250 17.209 -12.444 2.314 1.00 4.34 C ATOM 997 HG1 THR A 250 15.439 -14.205 3.103 1.00 0.00 H ATOM 998 H THR A 250 16.217 -10.987 0.565 1.00 0.00 H ATOM 999 N THR A 251 14.095 -11.537 2.559 1.00 2.34 N ATOM 1000 CA THR A 251 13.087 -11.256 3.572 1.00 2.36 C ATOM 1001 C THR A 251 12.736 -9.770 3.616 1.00 1.93 C ATOM 1002 O THR A 251 13.236 -8.978 2.815 1.00 2.37 O ATOM 1003 CB THR A 251 13.579 -11.696 4.966 1.00 2.48 C ATOM 1004 OG1 THR A 251 15.012 -11.634 5.022 1.00 2.79 O ATOM 1005 CG2 THR A 251 13.114 -13.107 5.293 1.00 3.09 C ATOM 1006 HG1 THR A 251 15.319 -11.918 5.920 1.00 0.00 H ATOM 1007 H THR A 251 14.845 -10.840 2.378 1.00 0.00 H ATOM 1008 N ARG A 252 11.864 -9.405 4.547 1.00 1.66 N ATOM 1009 CA ARG A 252 11.455 -8.019 4.730 1.00 1.42 C ATOM 1010 C ARG A 252 11.812 -7.594 6.147 1.00 1.17 C ATOM 1011 O ARG A 252 11.765 -8.414 7.062 1.00 1.90 O ATOM 1012 CB ARG A 252 9.950 -7.840 4.467 1.00 1.90 C ATOM 1013 CG ARG A 252 9.084 -8.969 5.002 1.00 1.88 C ATOM 1014 CD ARG A 252 8.649 -8.723 6.438 1.00 2.07 C ATOM 1015 NE ARG A 252 7.884 -9.849 6.972 1.00 2.78 N ATOM 1016 CZ ARG A 252 7.110 -9.785 8.054 1.00 3.44 C ATOM 1017 NH1 ARG A 252 6.988 -8.648 8.731 1.00 3.64 N ATOM 1018 NH2 ARG A 252 6.462 -10.870 8.456 1.00 4.29 N ATOM 1019 HE ARG A 252 7.949 -10.760 6.474 1.00 0.00 H ATOM 1020 HH12 ARG A 252 6.381 -8.608 9.575 1.00 0.00 H ATOM 1021 HH11 ARG A 252 7.499 -7.798 8.417 1.00 0.00 H ATOM 1022 HH22 ARG A 252 5.855 -10.831 9.300 1.00 0.00 H ATOM 1023 HH21 ARG A 252 6.561 -11.760 7.928 1.00 0.00 H ATOM 1024 H ARG A 252 11.458 -10.134 5.168 1.00 0.00 H ATOM 1025 N ASN A 253 12.184 -6.338 6.337 1.00 1.16 N ATOM 1026 CA ASN A 253 12.564 -5.871 7.673 1.00 1.76 C ATOM 1027 C ASN A 253 12.591 -4.350 7.755 1.00 1.42 C ATOM 1028 O ASN A 253 13.110 -3.784 8.715 1.00 1.62 O ATOM 1029 CB ASN A 253 13.944 -6.430 8.061 1.00 2.80 C ATOM 1030 CG ASN A 253 15.077 -5.818 7.254 1.00 3.44 C ATOM 1031 OD1 ASN A 253 15.722 -4.866 7.690 1.00 4.25 O ATOM 1032 ND2 ASN A 253 15.335 -6.371 6.082 1.00 3.47 N ATOM 1033 HD22 ASN A 253 14.765 -7.175 5.750 1.00 0.00 H ATOM 1034 HD21 ASN A 253 16.108 -6.002 5.492 1.00 0.00 H ATOM 1035 H ASN A 253 12.207 -5.679 5.533 1.00 0.00 H ATOM 1036 N ASP A 254 12.012 -3.686 6.769 1.00 1.03 N ATOM 1037 CA ASP A 254 12.007 -2.230 6.753 1.00 0.79 C ATOM 1038 C ASP A 254 10.594 -1.685 6.623 1.00 0.67 C ATOM 1039 O ASP A 254 9.933 -1.873 5.598 1.00 0.70 O ATOM 1040 CB ASP A 254 12.873 -1.711 5.611 1.00 0.60 C ATOM 1041 CG ASP A 254 14.354 -1.807 5.906 1.00 0.72 C ATOM 1042 OD1 ASP A 254 14.865 -0.996 6.703 1.00 1.31 O ATOM 1043 OD2 ASP A 254 15.015 -2.695 5.334 1.00 0.73 O ATOM 1044 H ASP A 254 11.555 -4.210 5.996 1.00 0.00 H ATOM 1045 N PHE A 255 10.138 -1.018 7.675 1.00 0.68 N ATOM 1046 CA PHE A 255 8.804 -0.437 7.707 1.00 0.60 C ATOM 1047 C PHE A 255 8.804 0.932 7.033 1.00 0.47 C ATOM 1048 O PHE A 255 9.262 1.920 7.613 1.00 0.62 O ATOM 1049 CB PHE A 255 8.318 -0.315 9.159 1.00 0.75 C ATOM 1050 CG PHE A 255 6.870 0.070 9.294 1.00 0.80 C ATOM 1051 CD1 PHE A 255 5.891 -0.903 9.410 1.00 0.90 C ATOM 1052 CD2 PHE A 255 6.491 1.401 9.307 1.00 0.90 C ATOM 1053 CE1 PHE A 255 4.561 -0.554 9.534 1.00 1.00 C ATOM 1054 CE2 PHE A 255 5.164 1.756 9.432 1.00 1.00 C ATOM 1055 CZ PHE A 255 4.197 0.779 9.543 1.00 1.01 C ATOM 1056 H PHE A 255 10.755 -0.906 8.505 1.00 0.00 H ATOM 1057 N MET A 256 8.305 0.977 5.805 1.00 0.46 N ATOM 1058 CA MET A 256 8.238 2.223 5.053 1.00 0.58 C ATOM 1059 C MET A 256 7.035 3.046 5.495 1.00 0.55 C ATOM 1060 O MET A 256 7.140 4.254 5.718 1.00 0.71 O ATOM 1061 CB MET A 256 8.159 1.942 3.550 1.00 0.80 C ATOM 1062 CG MET A 256 9.514 1.928 2.859 1.00 1.30 C ATOM 1063 SD MET A 256 10.324 3.542 2.872 1.00 1.49 S ATOM 1064 CE MET A 256 9.297 4.450 1.719 1.00 1.44 C ATOM 1065 H MET A 256 7.953 0.101 5.368 1.00 0.00 H ATOM 1066 N GLY A 257 5.898 2.379 5.632 1.00 0.45 N ATOM 1067 CA GLY A 257 4.685 3.054 6.045 1.00 0.44 C ATOM 1068 C GLY A 257 3.446 2.248 5.717 1.00 0.41 C ATOM 1069 O GLY A 257 3.499 1.315 4.912 1.00 0.53 O ATOM 1070 H GLY A 257 5.877 1.357 5.440 1.00 0.00 H ATOM 1071 N SER A 258 2.334 2.593 6.344 1.00 0.43 N ATOM 1072 CA SER A 258 1.078 1.897 6.109 1.00 0.50 C ATOM 1073 C SER A 258 -0.091 2.874 6.174 1.00 0.50 C ATOM 1074 O SER A 258 -0.050 3.849 6.924 1.00 0.59 O ATOM 1075 CB SER A 258 0.894 0.775 7.133 1.00 0.64 C ATOM 1076 OG SER A 258 1.979 -0.140 7.079 1.00 1.04 O ATOM 1077 HG SER A 258 1.839 -0.856 7.748 1.00 0.00 H ATOM 1078 H SER A 258 2.358 3.381 7.022 1.00 0.00 H ATOM 1079 N LEU A 259 -1.119 2.617 5.375 1.00 0.44 N ATOM 1080 CA LEU A 259 -2.300 3.476 5.339 1.00 0.46 C ATOM 1081 C LEU A 259 -3.546 2.663 5.008 1.00 0.39 C ATOM 1082 O LEU A 259 -3.446 1.505 4.596 1.00 0.54 O ATOM 1083 CB LEU A 259 -2.108 4.597 4.312 1.00 0.57 C ATOM 1084 CG LEU A 259 -1.437 4.172 3.003 1.00 0.94 C ATOM 1085 CD1 LEU A 259 -2.379 4.377 1.829 1.00 1.23 C ATOM 1086 CD2 LEU A 259 -0.143 4.944 2.791 1.00 1.59 C ATOM 1087 H LEU A 259 -1.083 1.781 4.757 1.00 0.00 H ATOM 1088 N SER A 260 -4.717 3.256 5.204 1.00 0.35 N ATOM 1089 CA SER A 260 -5.968 2.571 4.922 1.00 0.42 C ATOM 1090 C SER A 260 -7.032 3.556 4.453 1.00 0.42 C ATOM 1091 O SER A 260 -6.959 4.749 4.746 1.00 0.55 O ATOM 1092 CB SER A 260 -6.461 1.832 6.170 1.00 0.56 C ATOM 1093 OG SER A 260 -6.842 2.745 7.190 1.00 1.18 O ATOM 1094 HG SER A 260 -6.063 3.303 7.439 1.00 0.00 H ATOM 1095 H SER A 260 -4.740 4.230 5.567 1.00 0.00 H ATOM 1096 N PHE A 261 -8.007 3.050 3.713 1.00 0.41 N ATOM 1097 CA PHE A 261 -9.099 3.869 3.215 1.00 0.45 C ATOM 1098 C PHE A 261 -10.428 3.213 3.558 1.00 0.50 C ATOM 1099 O PHE A 261 -10.646 2.045 3.236 1.00 0.64 O ATOM 1100 CB PHE A 261 -8.986 4.061 1.701 1.00 0.49 C ATOM 1101 CG PHE A 261 -7.792 4.867 1.282 1.00 0.51 C ATOM 1102 CD1 PHE A 261 -6.673 4.247 0.752 1.00 0.89 C ATOM 1103 CD2 PHE A 261 -7.792 6.244 1.414 1.00 0.80 C ATOM 1104 CE1 PHE A 261 -5.575 4.986 0.363 1.00 1.00 C ATOM 1105 CE2 PHE A 261 -6.696 6.990 1.027 1.00 0.90 C ATOM 1106 CZ PHE A 261 -5.585 6.359 0.498 1.00 0.80 C ATOM 1107 H PHE A 261 -7.990 2.036 3.481 1.00 0.00 H ATOM 1108 N GLY A 262 -11.303 3.953 4.228 1.00 0.52 N ATOM 1109 CA GLY A 262 -12.593 3.415 4.605 1.00 0.58 C ATOM 1110 C GLY A 262 -13.539 3.306 3.431 1.00 0.54 C ATOM 1111 O GLY A 262 -13.759 4.276 2.705 1.00 0.55 O ATOM 1112 H GLY A 262 -11.059 4.931 4.485 1.00 0.00 H ATOM 1113 N VAL A 263 -14.109 2.124 3.258 1.00 0.63 N ATOM 1114 CA VAL A 263 -15.033 1.863 2.165 1.00 0.65 C ATOM 1115 C VAL A 263 -16.292 2.727 2.285 1.00 0.66 C ATOM 1116 O VAL A 263 -16.891 3.104 1.277 1.00 0.65 O ATOM 1117 CB VAL A 263 -15.419 0.368 2.120 1.00 0.83 C ATOM 1118 CG1 VAL A 263 -16.431 0.082 1.018 1.00 1.12 C ATOM 1119 CG2 VAL A 263 -14.176 -0.488 1.929 1.00 1.53 C ATOM 1120 H VAL A 263 -13.889 1.357 3.925 1.00 0.00 H ATOM 1121 N SER A 264 -16.673 3.055 3.517 1.00 0.73 N ATOM 1122 CA SER A 264 -17.854 3.873 3.763 1.00 0.80 C ATOM 1123 C SER A 264 -17.652 5.290 3.223 1.00 0.73 C ATOM 1124 O SER A 264 -18.572 5.889 2.656 1.00 0.84 O ATOM 1125 CB SER A 264 -18.175 3.917 5.260 1.00 0.91 C ATOM 1126 OG SER A 264 -19.490 4.392 5.490 1.00 1.41 O ATOM 1127 HG SER A 264 -19.668 4.409 6.464 1.00 0.00 H ATOM 1128 H SER A 264 -16.113 2.719 4.326 1.00 0.00 H ATOM 1129 N GLU A 265 -16.453 5.830 3.403 1.00 0.63 N ATOM 1130 CA GLU A 265 -16.147 7.164 2.911 1.00 0.67 C ATOM 1131 C GLU A 265 -15.961 7.124 1.401 1.00 0.67 C ATOM 1132 O GLU A 265 -16.480 7.971 0.677 1.00 0.81 O ATOM 1133 CB GLU A 265 -14.883 7.714 3.578 1.00 0.70 C ATOM 1134 CG GLU A 265 -15.092 9.036 4.299 1.00 1.03 C ATOM 1135 CD GLU A 265 -15.803 8.877 5.629 1.00 2.03 C ATOM 1136 OE1 GLU A 265 -17.031 8.651 5.635 1.00 3.05 O ATOM 1137 OE2 GLU A 265 -15.135 8.977 6.680 1.00 2.11 O ATOM 1138 H GLU A 265 -15.719 5.290 3.905 1.00 0.00 H ATOM 1139 N LEU A 266 -15.251 6.103 0.935 1.00 0.57 N ATOM 1140 CA LEU A 266 -14.976 5.931 -0.491 1.00 0.60 C ATOM 1141 C LEU A 266 -16.259 5.702 -1.290 1.00 0.68 C ATOM 1142 O LEU A 266 -16.305 5.951 -2.493 1.00 0.71 O ATOM 1143 CB LEU A 266 -14.020 4.757 -0.706 1.00 0.62 C ATOM 1144 CG LEU A 266 -12.534 5.120 -0.791 1.00 0.65 C ATOM 1145 CD1 LEU A 266 -12.100 5.942 0.413 1.00 1.46 C ATOM 1146 CD2 LEU A 266 -11.696 3.857 -0.896 1.00 1.21 C ATOM 1147 H LEU A 266 -14.878 5.402 1.607 1.00 0.00 H ATOM 1148 N MET A 267 -17.296 5.221 -0.617 1.00 0.73 N ATOM 1149 CA MET A 267 -18.575 4.959 -1.268 1.00 0.82 C ATOM 1150 C MET A 267 -19.261 6.262 -1.668 1.00 0.88 C ATOM 1151 O MET A 267 -19.903 6.340 -2.715 1.00 1.04 O ATOM 1152 CB MET A 267 -19.494 4.157 -0.343 1.00 0.85 C ATOM 1153 CG MET A 267 -20.084 2.914 -0.994 1.00 0.96 C ATOM 1154 SD MET A 267 -21.075 3.288 -2.453 1.00 1.29 S ATOM 1155 CE MET A 267 -21.485 1.636 -3.010 1.00 1.58 C ATOM 1156 H MET A 267 -17.195 5.026 0.400 1.00 0.00 H ATOM 1157 N LYS A 268 -19.112 7.292 -0.841 1.00 0.82 N ATOM 1158 CA LYS A 268 -19.737 8.581 -1.120 1.00 0.92 C ATOM 1159 C LYS A 268 -18.769 9.547 -1.795 1.00 0.90 C ATOM 1160 O LYS A 268 -19.176 10.622 -2.236 1.00 1.04 O ATOM 1161 CB LYS A 268 -20.297 9.205 0.159 1.00 1.01 C ATOM 1162 CG LYS A 268 -19.372 9.098 1.355 1.00 1.23 C ATOM 1163 CD LYS A 268 -19.879 9.925 2.522 1.00 1.36 C ATOM 1164 CE LYS A 268 -19.399 9.361 3.847 1.00 1.44 C ATOM 1165 NZ LYS A 268 -19.947 8.000 4.102 1.00 2.10 N ATOM 1166 HZ1 LYS A 268 -20.986 8.044 4.123 1.00 0.00 H ATOM 1167 HZ2 LYS A 268 -19.642 7.357 3.344 1.00 0.00 H ATOM 1168 HZ3 LYS A 268 -19.595 7.652 5.016 1.00 0.00 H ATOM 1169 H LYS A 268 -18.540 7.177 0.020 1.00 0.00 H ATOM 1170 N MET A 269 -17.498 9.172 -1.866 1.00 0.79 N ATOM 1171 CA MET A 269 -16.486 10.009 -2.502 1.00 0.80 C ATOM 1172 C MET A 269 -15.192 9.227 -2.724 1.00 0.69 C ATOM 1173 O MET A 269 -14.678 8.589 -1.810 1.00 0.69 O ATOM 1174 CB MET A 269 -16.203 11.271 -1.670 1.00 0.90 C ATOM 1175 CG MET A 269 -15.614 10.998 -0.292 1.00 0.92 C ATOM 1176 SD MET A 269 -15.107 12.507 0.556 1.00 1.29 S ATOM 1177 CE MET A 269 -13.728 13.017 -0.467 1.00 1.50 C ATOM 1178 H MET A 269 -17.216 8.258 -1.458 1.00 0.00 H ATOM 1179 N PRO A 270 -14.655 9.261 -3.951 1.00 0.68 N ATOM 1180 CA PRO A 270 -13.414 8.560 -4.291 1.00 0.63 C ATOM 1181 C PRO A 270 -12.182 9.248 -3.698 1.00 0.57 C ATOM 1182 O PRO A 270 -12.097 10.478 -3.666 1.00 0.85 O ATOM 1183 CB PRO A 270 -13.387 8.616 -5.820 1.00 0.75 C ATOM 1184 CG PRO A 270 -14.180 9.822 -6.179 1.00 0.91 C ATOM 1185 CD PRO A 270 -15.225 9.977 -5.107 1.00 0.80 C ATOM 1186 N ALA A 271 -11.227 8.451 -3.240 1.00 0.57 N ATOM 1187 CA ALA A 271 -10.013 8.985 -2.642 1.00 0.57 C ATOM 1188 C ALA A 271 -8.830 8.853 -3.592 1.00 0.53 C ATOM 1189 O ALA A 271 -8.537 7.764 -4.087 1.00 0.68 O ATOM 1190 CB ALA A 271 -9.716 8.277 -1.330 1.00 0.75 C ATOM 1191 H ALA A 271 -11.348 7.420 -3.310 1.00 0.00 H ATOM 1192 N SER A 272 -8.173 9.967 -3.866 1.00 0.46 N ATOM 1193 CA SER A 272 -7.016 9.986 -4.747 1.00 0.51 C ATOM 1194 C SER A 272 -6.091 11.142 -4.379 1.00 0.49 C ATOM 1195 O SER A 272 -6.507 12.302 -4.361 1.00 0.59 O ATOM 1196 CB SER A 272 -7.459 10.098 -6.211 1.00 0.61 C ATOM 1197 OG SER A 272 -8.146 8.924 -6.623 1.00 0.87 O ATOM 1198 HG SER A 272 -8.947 8.796 -6.056 1.00 0.00 H ATOM 1199 H SER A 272 -8.494 10.859 -3.438 1.00 0.00 H ATOM 1200 N GLY A 273 -4.847 10.819 -4.062 1.00 0.53 N ATOM 1201 CA GLY A 273 -3.886 11.834 -3.699 1.00 0.58 C ATOM 1202 C GLY A 273 -2.611 11.227 -3.160 1.00 0.53 C ATOM 1203 O GLY A 273 -2.406 10.013 -3.263 1.00 0.51 O ATOM 1204 H GLY A 273 -4.558 9.820 -4.075 1.00 0.00 H ATOM 1205 N TRP A 274 -1.762 12.061 -2.580 1.00 0.56 N ATOM 1206 CA TRP A 274 -0.499 11.602 -2.025 1.00 0.55 C ATOM 1207 C TRP A 274 -0.629 11.380 -0.528 1.00 0.57 C ATOM 1208 O TRP A 274 -0.967 12.295 0.219 1.00 0.68 O ATOM 1209 CB TRP A 274 0.612 12.616 -2.300 1.00 0.59 C ATOM 1210 CG TRP A 274 0.960 12.747 -3.752 1.00 0.56 C ATOM 1211 CD1 TRP A 274 0.315 13.505 -4.685 1.00 0.64 C ATOM 1212 CD2 TRP A 274 2.040 12.099 -4.436 1.00 0.52 C ATOM 1213 NE1 TRP A 274 0.926 13.371 -5.906 1.00 0.65 N ATOM 1214 CE2 TRP A 274 1.987 12.513 -5.781 1.00 0.57 C ATOM 1215 CE3 TRP A 274 3.045 11.207 -4.045 1.00 0.50 C ATOM 1216 CZ2 TRP A 274 2.903 12.070 -6.733 1.00 0.59 C ATOM 1217 CZ3 TRP A 274 3.952 10.769 -4.991 1.00 0.53 C ATOM 1218 CH2 TRP A 274 3.873 11.200 -6.322 1.00 0.56 C ATOM 1219 HE1 TRP A 274 0.632 13.844 -6.784 1.00 0.00 H ATOM 1220 H TRP A 274 -2.005 13.070 -2.520 1.00 0.00 H ATOM 1221 N TYR A 275 -0.373 10.164 -0.092 1.00 0.54 N ATOM 1222 CA TYR A 275 -0.454 9.840 1.319 1.00 0.56 C ATOM 1223 C TYR A 275 0.938 9.889 1.934 1.00 0.51 C ATOM 1224 O TYR A 275 1.919 9.482 1.304 1.00 0.56 O ATOM 1225 CB TYR A 275 -1.087 8.459 1.523 1.00 0.67 C ATOM 1226 CG TYR A 275 -1.919 8.354 2.788 1.00 1.32 C ATOM 1227 CD1 TYR A 275 -3.296 8.186 2.726 1.00 1.69 C ATOM 1228 CD2 TYR A 275 -1.326 8.429 4.042 1.00 1.89 C ATOM 1229 CE1 TYR A 275 -4.057 8.097 3.877 1.00 2.39 C ATOM 1230 CE2 TYR A 275 -2.080 8.340 5.196 1.00 2.54 C ATOM 1231 CZ TYR A 275 -3.444 8.175 5.108 1.00 2.74 C ATOM 1232 OH TYR A 275 -4.195 8.094 6.259 1.00 3.46 O ATOM 1233 HH TYR A 275 -5.149 7.977 6.022 1.00 0.00 H ATOM 1234 H TYR A 275 -0.108 9.423 -0.772 1.00 0.00 H ATOM 1235 N LYS A 276 1.019 10.411 3.150 1.00 0.48 N ATOM 1236 CA LYS A 276 2.285 10.519 3.856 1.00 0.49 C ATOM 1237 C LYS A 276 2.610 9.211 4.573 1.00 0.56 C ATOM 1238 O LYS A 276 1.747 8.345 4.730 1.00 0.67 O ATOM 1239 CB LYS A 276 2.246 11.685 4.850 1.00 0.53 C ATOM 1240 CG LYS A 276 1.007 11.707 5.735 1.00 1.23 C ATOM 1241 CD LYS A 276 0.938 12.992 6.547 1.00 1.35 C ATOM 1242 CE LYS A 276 -0.298 13.038 7.429 1.00 1.60 C ATOM 1243 NZ LYS A 276 -0.297 14.232 8.317 1.00 1.86 N ATOM 1244 HZ1 LYS A 276 0.542 14.206 8.930 1.00 0.00 H ATOM 1245 HZ2 LYS A 276 -0.277 15.094 7.736 1.00 0.00 H ATOM 1246 HZ3 LYS A 276 -1.156 14.227 8.903 1.00 0.00 H ATOM 1247 H LYS A 276 0.152 10.753 3.612 1.00 0.00 H ATOM 1248 N LEU A 277 3.852 9.075 5.014 1.00 0.79 N ATOM 1249 CA LEU A 277 4.289 7.867 5.697 1.00 0.91 C ATOM 1250 C LEU A 277 3.823 7.855 7.145 1.00 0.74 C ATOM 1251 O LEU A 277 4.358 8.580 7.984 1.00 0.88 O ATOM 1252 CB LEU A 277 5.812 7.742 5.644 1.00 1.26 C ATOM 1253 CG LEU A 277 6.416 7.722 4.240 1.00 1.40 C ATOM 1254 CD1 LEU A 277 7.920 7.509 4.312 1.00 1.74 C ATOM 1255 CD2 LEU A 277 5.761 6.644 3.389 1.00 1.52 C ATOM 1256 H LEU A 277 4.530 9.850 4.869 1.00 0.00 H ATOM 1257 N LEU A 278 2.818 7.042 7.425 1.00 0.60 N ATOM 1258 CA LEU A 278 2.288 6.920 8.774 1.00 0.54 C ATOM 1259 C LEU A 278 2.648 5.563 9.362 1.00 0.53 C ATOM 1260 O LEU A 278 3.102 4.666 8.645 1.00 0.62 O ATOM 1261 CB LEU A 278 0.768 7.098 8.783 1.00 0.59 C ATOM 1262 CG LEU A 278 0.262 8.491 8.402 1.00 0.70 C ATOM 1263 CD1 LEU A 278 -1.227 8.607 8.679 1.00 0.90 C ATOM 1264 CD2 LEU A 278 1.024 9.566 9.160 1.00 0.86 C ATOM 1265 H LEU A 278 2.396 6.476 6.661 1.00 0.00 H ATOM 1266 N ASN A 279 2.460 5.420 10.667 1.00 0.53 N ATOM 1267 CA ASN A 279 2.758 4.168 11.355 1.00 0.57 C ATOM 1268 C ASN A 279 1.621 3.168 11.151 1.00 0.55 C ATOM 1269 O ASN A 279 0.627 3.485 10.497 1.00 0.57 O ATOM 1270 CB ASN A 279 2.971 4.426 12.845 1.00 0.66 C ATOM 1271 CG ASN A 279 3.989 3.489 13.468 1.00 1.35 C ATOM 1272 OD1 ASN A 279 4.175 2.356 13.023 1.00 2.20 O ATOM 1273 ND2 ASN A 279 4.646 3.956 14.513 1.00 1.68 N ATOM 1274 HD22 ASN A 279 4.459 4.919 14.857 1.00 0.00 H ATOM 1275 HD21 ASN A 279 5.351 3.361 14.992 1.00 0.00 H ATOM 1276 H ASN A 279 2.090 6.222 11.215 1.00 0.00 H ATOM 1277 N GLN A 280 1.762 1.976 11.723 1.00 0.64 N ATOM 1278 CA GLN A 280 0.751 0.926 11.584 1.00 0.74 C ATOM 1279 C GLN A 280 -0.624 1.412 12.043 1.00 0.77 C ATOM 1280 O GLN A 280 -1.562 1.486 11.250 1.00 0.97 O ATOM 1281 CB GLN A 280 1.137 -0.325 12.385 1.00 0.91 C ATOM 1282 CG GLN A 280 2.627 -0.468 12.644 1.00 1.32 C ATOM 1283 CD GLN A 280 3.014 -1.865 13.089 1.00 1.40 C ATOM 1284 OE1 GLN A 280 2.192 -2.615 13.623 1.00 1.38 O ATOM 1285 NE2 GLN A 280 4.274 -2.216 12.884 1.00 2.01 N ATOM 1286 HE22 GLN A 280 4.932 -1.551 12.430 1.00 0.00 H ATOM 1287 HE21 GLN A 280 4.606 -3.157 13.177 1.00 0.00 H ATOM 1288 H GLN A 280 2.615 1.784 12.286 1.00 0.00 H ATOM 1289 N GLU A 281 -0.725 1.757 13.323 1.00 0.74 N ATOM 1290 CA GLU A 281 -1.979 2.222 13.906 1.00 0.83 C ATOM 1291 C GLU A 281 -2.430 3.541 13.288 1.00 0.82 C ATOM 1292 O GLU A 281 -3.602 3.718 12.964 1.00 1.14 O ATOM 1293 CB GLU A 281 -1.820 2.380 15.418 1.00 0.95 C ATOM 1294 CG GLU A 281 -1.596 1.059 16.136 1.00 1.15 C ATOM 1295 CD GLU A 281 -0.760 1.205 17.388 1.00 1.56 C ATOM 1296 OE1 GLU A 281 0.094 0.329 17.638 1.00 2.11 O ATOM 1297 OE2 GLU A 281 -0.947 2.197 18.121 1.00 2.05 O ATOM 1298 H GLU A 281 0.118 1.693 13.929 1.00 0.00 H ATOM 1299 N GLU A 282 -1.484 4.447 13.100 1.00 0.69 N ATOM 1300 CA GLU A 282 -1.775 5.758 12.537 1.00 0.76 C ATOM 1301 C GLU A 282 -2.403 5.651 11.148 1.00 0.76 C ATOM 1302 O GLU A 282 -3.354 6.362 10.831 1.00 0.95 O ATOM 1303 CB GLU A 282 -0.493 6.587 12.460 1.00 0.82 C ATOM 1304 CG GLU A 282 0.149 6.847 13.815 1.00 1.01 C ATOM 1305 CD GLU A 282 -0.451 8.040 14.527 1.00 1.30 C ATOM 1306 OE1 GLU A 282 0.060 9.164 14.344 1.00 1.45 O ATOM 1307 OE2 GLU A 282 -1.436 7.861 15.271 1.00 2.02 O ATOM 1308 H GLU A 282 -0.504 4.216 13.362 1.00 0.00 H ATOM 1309 N GLY A 283 -1.892 4.737 10.336 1.00 0.67 N ATOM 1310 CA GLY A 283 -2.395 4.584 8.986 1.00 0.76 C ATOM 1311 C GLY A 283 -3.653 3.741 8.882 1.00 0.87 C ATOM 1312 O GLY A 283 -4.453 3.937 7.970 1.00 1.17 O ATOM 1313 H GLY A 283 -1.122 4.123 10.671 1.00 0.00 H ATOM 1314 N GLU A 284 -3.849 2.808 9.806 1.00 0.72 N ATOM 1315 CA GLU A 284 -5.022 1.939 9.754 1.00 0.82 C ATOM 1316 C GLU A 284 -6.232 2.558 10.454 1.00 0.84 C ATOM 1317 O GLU A 284 -7.365 2.118 10.248 1.00 0.94 O ATOM 1318 CB GLU A 284 -4.713 0.570 10.363 1.00 0.84 C ATOM 1319 CG GLU A 284 -4.624 0.578 11.880 1.00 1.64 C ATOM 1320 CD GLU A 284 -4.738 -0.805 12.481 1.00 1.65 C ATOM 1321 OE1 GLU A 284 -5.876 -1.262 12.730 1.00 1.93 O ATOM 1322 OE2 GLU A 284 -3.693 -1.441 12.717 1.00 1.84 O ATOM 1323 H GLU A 284 -3.159 2.694 10.576 1.00 0.00 H ATOM 1324 N TYR A 285 -6.001 3.560 11.292 1.00 0.85 N ATOM 1325 CA TYR A 285 -7.098 4.210 12.001 1.00 0.96 C ATOM 1326 C TYR A 285 -7.469 5.538 11.354 1.00 1.08 C ATOM 1327 O TYR A 285 -8.536 6.091 11.633 1.00 1.47 O ATOM 1328 CB TYR A 285 -6.745 4.436 13.476 1.00 0.98 C ATOM 1329 CG TYR A 285 -6.619 3.162 14.288 1.00 0.98 C ATOM 1330 CD1 TYR A 285 -5.645 3.042 15.268 1.00 1.10 C ATOM 1331 CD2 TYR A 285 -7.470 2.083 14.076 1.00 1.12 C ATOM 1332 CE1 TYR A 285 -5.520 1.886 16.013 1.00 1.19 C ATOM 1333 CE2 TYR A 285 -7.351 0.924 14.818 1.00 1.28 C ATOM 1334 CZ TYR A 285 -6.374 0.831 15.786 1.00 1.25 C ATOM 1335 OH TYR A 285 -6.249 -0.322 16.530 1.00 1.46 O ATOM 1336 HH TYR A 285 -5.504 -0.219 17.174 1.00 0.00 H ATOM 1337 H TYR A 285 -5.026 3.886 11.446 1.00 0.00 H ATOM 1338 N TYR A 286 -6.599 6.048 10.492 1.00 0.83 N ATOM 1339 CA TYR A 286 -6.845 7.322 9.829 1.00 0.91 C ATOM 1340 C TYR A 286 -6.821 7.178 8.315 1.00 0.88 C ATOM 1341 O TYR A 286 -6.481 6.123 7.781 1.00 0.93 O ATOM 1342 CB TYR A 286 -5.808 8.358 10.272 1.00 0.94 C ATOM 1343 CG TYR A 286 -5.955 8.777 11.717 1.00 1.27 C ATOM 1344 CD1 TYR A 286 -6.644 9.935 12.052 1.00 1.67 C ATOM 1345 CD2 TYR A 286 -5.415 8.013 12.746 1.00 1.35 C ATOM 1346 CE1 TYR A 286 -6.790 10.322 13.369 1.00 2.05 C ATOM 1347 CE2 TYR A 286 -5.557 8.393 14.065 1.00 1.72 C ATOM 1348 CZ TYR A 286 -6.245 9.548 14.370 1.00 2.04 C ATOM 1349 OH TYR A 286 -6.392 9.927 15.685 1.00 2.45 O ATOM 1350 HH TYR A 286 -6.907 10.772 15.728 1.00 0.00 H ATOM 1351 H TYR A 286 -5.723 5.527 10.285 1.00 0.00 H ATOM 1352 N ASN A 287 -7.207 8.246 7.635 1.00 0.99 N ATOM 1353 CA ASN A 287 -7.237 8.276 6.180 1.00 1.22 C ATOM 1354 C ASN A 287 -7.171 9.718 5.689 1.00 1.19 C ATOM 1355 O ASN A 287 -8.162 10.282 5.223 1.00 1.27 O ATOM 1356 CB ASN A 287 -8.497 7.582 5.640 1.00 1.58 C ATOM 1357 CG ASN A 287 -9.763 7.971 6.385 1.00 1.82 C ATOM 1358 OD1 ASN A 287 -10.087 7.398 7.425 1.00 2.58 O ATOM 1359 ND2 ASN A 287 -10.489 8.945 5.857 1.00 1.72 N ATOM 1360 HD22 ASN A 287 -10.181 9.404 4.976 1.00 0.00 H ATOM 1361 HD21 ASN A 287 -11.367 9.250 6.323 1.00 0.00 H ATOM 1362 H ASN A 287 -7.500 9.095 8.160 1.00 0.00 H ATOM 1363 N VAL A 288 -5.996 10.316 5.812 1.00 1.17 N ATOM 1364 CA VAL A 288 -5.796 11.698 5.398 1.00 1.14 C ATOM 1365 C VAL A 288 -4.854 11.804 4.199 1.00 0.88 C ATOM 1366 O VAL A 288 -3.634 11.748 4.346 1.00 0.97 O ATOM 1367 CB VAL A 288 -5.245 12.562 6.554 1.00 1.45 C ATOM 1368 CG1 VAL A 288 -6.382 13.096 7.409 1.00 2.04 C ATOM 1369 CG2 VAL A 288 -4.265 11.768 7.409 1.00 1.15 C ATOM 1370 H VAL A 288 -5.197 9.786 6.214 1.00 0.00 H ATOM 1371 N PRO A 289 -5.413 11.936 2.990 1.00 0.79 N ATOM 1372 CA PRO A 289 -4.627 12.075 1.776 1.00 0.77 C ATOM 1373 C PRO A 289 -4.304 13.539 1.475 1.00 0.86 C ATOM 1374 O PRO A 289 -5.117 14.430 1.734 1.00 1.17 O ATOM 1375 CB PRO A 289 -5.555 11.488 0.713 1.00 1.05 C ATOM 1376 CG PRO A 289 -6.944 11.753 1.207 1.00 1.27 C ATOM 1377 CD PRO A 289 -6.859 11.941 2.705 1.00 1.02 C ATOM 1378 N ILE A 290 -3.114 13.790 0.957 1.00 0.73 N ATOM 1379 CA ILE A 290 -2.705 15.142 0.619 1.00 0.83 C ATOM 1380 C ILE A 290 -3.046 15.425 -0.841 1.00 0.99 C ATOM 1381 O ILE A 290 -2.614 14.694 -1.736 1.00 1.00 O ATOM 1382 CB ILE A 290 -1.192 15.359 0.854 1.00 0.77 C ATOM 1383 CG1 ILE A 290 -0.788 14.905 2.265 1.00 0.81 C ATOM 1384 CG2 ILE A 290 -0.822 16.819 0.642 1.00 0.98 C ATOM 1385 CD1 ILE A 290 -1.445 15.692 3.383 1.00 1.04 C ATOM 1386 H ILE A 290 -2.456 13.002 0.788 1.00 0.00 H ATOM 1387 N PRO A 291 -3.853 16.469 -1.097 1.00 1.24 N ATOM 1388 CA PRO A 291 -4.266 16.834 -2.453 1.00 1.46 C ATOM 1389 C PRO A 291 -3.083 17.074 -3.384 1.00 1.37 C ATOM 1390 O PRO A 291 -2.980 16.431 -4.431 1.00 1.51 O ATOM 1391 CB PRO A 291 -5.078 18.121 -2.266 1.00 1.72 C ATOM 1392 CG PRO A 291 -4.819 18.580 -0.873 1.00 1.52 C ATOM 1393 CD PRO A 291 -4.434 17.363 -0.085 1.00 1.39 C ATOM 1394 N GLU A 292 -2.192 17.986 -2.988 1.00 1.30 N ATOM 1395 CA GLU A 292 -1.014 18.325 -3.784 1.00 1.31 C ATOM 1396 C GLU A 292 -1.412 18.704 -5.205 1.00 1.56 C ATOM 1397 O GLU A 292 -0.847 18.208 -6.185 1.00 1.73 O ATOM 1398 CB GLU A 292 -0.017 17.169 -3.798 1.00 1.22 C ATOM 1399 CG GLU A 292 0.907 17.154 -2.591 1.00 1.36 C ATOM 1400 CD GLU A 292 1.811 18.370 -2.536 1.00 2.02 C ATOM 1401 OE1 GLU A 292 1.370 19.427 -2.041 1.00 2.56 O ATOM 1402 OE2 GLU A 292 2.971 18.277 -2.988 1.00 2.35 O ATOM 1403 H GLU A 292 -2.341 18.472 -2.081 1.00 0.00 H ATOM 1404 N GLY A 293 -2.392 19.584 -5.299 1.00 1.83 N ATOM 1405 CA GLY A 293 -2.880 20.030 -6.582 1.00 2.17 C ATOM 1406 C GLY A 293 -4.198 20.746 -6.438 1.00 2.81 C ATOM 1407 O GLY A 293 -4.768 20.715 -5.324 1.00 3.31 O ATOM 1408 OXT GLY A 293 -4.676 21.331 -7.426 1.00 3.31 O ATOM 1409 H GLY A 293 -2.821 19.963 -4.431 1.00 0.00 H TER 1410 GLY A 293 HETATM 1411 CA CA A 1 15.292 -3.327 0.012 1.00 0.61 CA HETATM 1412 CA CA A 2 16.154 -2.989 3.491 1.00 0.58 CA HETATM 1413 C ACE A 3 -4.050 -19.278 4.910 1.00 0.18 C HETATM 1414 O ACE A 3 -3.535 -19.355 3.793 1.00 -0.40 O HETATM 1415 CH3 ACE A 3 -5.132 -20.238 5.325 1.00 0.03 C HETATM 1416 H1 ACE A 3 -5.457 -20.004 6.349 1.00 0.05 H HETATM 1417 H2 ACE A 3 -4.743 -21.266 5.290 1.00 0.05 H HETATM 1418 H3 ACE A 3 -5.987 -20.146 4.639 1.00 0.05 H HETATM 1419 N ACE A 3 -3.695 -18.371 5.810 1.00 -0.26 N HETATM 1420 CA ACE A 3 -2.660 -17.382 5.537 1.00 0.14 C HETATM 1421 C ACE A 3 -1.293 -18.043 5.504 1.00 0.21 C HETATM 1422 O ACE A 3 -0.921 -18.764 6.429 1.00 -0.39 O HETATM 1423 N ACE A 3 -0.553 -17.806 4.435 1.00 -0.26 N HETATM 1424 CA ACE A 3 0.770 -18.391 4.279 1.00 0.13 C HETATM 1425 C ACE A 3 1.837 -17.307 4.358 1.00 0.20 C HETATM 1426 O ACE A 3 1.562 -16.189 4.797 1.00 -0.39 O HETATM 1427 N ACE A 3 3.049 -17.636 3.941 1.00 -0.26 N HETATM 1428 CA ACE A 3 4.153 -16.691 3.961 1.00 0.15 C HETATM 1429 C ACE A 3 4.126 -15.785 2.728 1.00 0.21 C HETATM 1430 O ACE A 3 4.935 -15.939 1.814 1.00 -0.39 O HETATM 1431 N ACE A 3 3.191 -14.845 2.704 1.00 -0.26 N HETATM 1432 CA ACE A 3 3.066 -13.925 1.577 1.00 0.14 C HETATM 1433 C ACE A 3 3.967 -12.711 1.767 1.00 0.21 C HETATM 1434 O ACE A 3 4.492 -12.160 0.794 1.00 -0.39 O HETATM 1435 N ACE A 3 4.151 -12.309 3.023 1.00 -0.26 N HETATM 1436 CA ACE A 3 4.978 -11.155 3.356 1.00 0.14 C HETATM 1437 C ACE A 3 6.405 -11.374 2.891 1.00 0.21 C HETATM 1438 O ACE A 3 7.059 -10.461 2.389 1.00 -0.39 O HETATM 1439 N ACE A 3 6.877 -12.596 3.058 1.00 -0.26 N HETATM 1440 CA ACE A 3 8.223 -12.957 2.666 1.00 0.13 C HETATM 1441 C ACE A 3 8.198 -13.926 1.487 1.00 0.20 C HETATM 1442 O ACE A 3 8.852 -14.971 1.508 1.00 -0.39 O HETATM 1443 N ACE A 3 7.440 -13.566 0.458 1.00 -0.27 N HETATM 1444 CA ACE A 3 7.337 -14.406 -0.718 1.00 0.12 C HETATM 1445 C ACE A 3 7.378 -13.612 -2.007 1.00 0.20 C HETATM 1446 O ACE A 3 6.338 -13.240 -2.554 1.00 -0.39 O HETATM 1447 N ACE A 3 8.588 -13.342 -2.480 1.00 -0.26 N HETATM 1448 CA ACE A 3 8.797 -12.598 -3.719 1.00 0.14 C HETATM 1449 C ACE A 3 9.989 -13.170 -4.470 1.00 0.21 C HETATM 1450 O ACE A 3 9.835 -13.833 -5.497 1.00 -0.39 O HETATM 1451 N ACE A 3 11.174 -12.922 -3.940 1.00 -0.26 N HETATM 1452 CA ACE A 3 12.401 -13.410 -4.542 1.00 0.16 C HETATM 1453 CB ACE A 3 13.386 -12.253 -4.718 1.00 0.12 C HETATM 1454 OG ACE A 3 12.723 -11.092 -5.204 1.00 -0.27 O HETATM 1455 P ACE A 3 13.456 -10.128 -6.251 1.00 0.20 P HETATM 1456 O1P ACE A 3 13.462 -10.940 -7.630 1.00 -0.55 O HETATM 1457 O2P ACE A 3 12.698 -8.898 -6.561 1.00 -0.55 O HETATM 1458 O3P ACE A 3 14.883 -9.893 -5.964 1.00 -0.55 O HETATM 1459 H54 ACE A 3 14.165 -12.549 -5.435 1.00 0.07 H HETATM 1460 H55 ACE A 3 13.849 -12.023 -3.747 1.00 0.07 H HETATM 1461 C ACE A 3 13.005 -14.504 -3.664 1.00 0.21 C HETATM 1462 O ACE A 3 12.579 -14.693 -2.522 1.00 -0.39 O HETATM 1463 N ACE A 3 13.977 -15.225 -4.197 1.00 -0.26 N HETATM 1464 CA ACE A 3 14.630 -16.296 -3.455 1.00 0.14 C HETATM 1465 C ACE A 3 16.076 -15.919 -3.139 1.00 0.20 C HETATM 1466 O ACE A 3 16.993 -16.727 -3.298 1.00 -0.39 O HETATM 1467 N ACE A 3 16.273 -14.687 -2.694 1.00 -0.30 N HETATM 1468 H65 ACE A 3 17.197 -14.379 -2.469 1.00 0.18 H HETATM 1469 H66 ACE A 3 15.498 -14.066 -2.583 1.00 0.18 H HETATM 1470 CB ACE A 3 14.588 -17.591 -4.268 1.00 0.02 C HETATM 1471 CG ACE A 3 14.279 -18.829 -3.448 1.00 -0.05 C HETATM 1472 CD1 ACE A 3 15.299 -19.606 -2.913 1.00 -0.07 C HETATM 1473 CE1 ACE A 3 15.020 -20.743 -2.178 1.00 -0.04 C HETATM 1474 CZ ACE A 3 13.708 -21.115 -1.968 1.00 0.08 C HETATM 1475 CE2 ACE A 3 12.679 -20.360 -2.485 1.00 -0.04 C HETATM 1476 CD2 ACE A 3 12.966 -19.224 -3.222 1.00 -0.07 C HETATM 1477 H61 ACE A 3 12.154 -18.633 -3.629 1.00 0.05 H HETATM 1478 H63 ACE A 3 11.649 -20.654 -2.316 1.00 0.05 H HETATM 1479 OH ACE A 3 13.426 -22.251 -1.244 1.00 -0.34 O HETATM 1480 H64 ACE A 3 14.238 -22.654 -0.960 1.00 0.25 H HETATM 1481 H62 ACE A 3 15.828 -21.339 -1.769 1.00 0.05 H HETATM 1482 H60 ACE A 3 16.331 -19.316 -3.075 1.00 0.05 H HETATM 1483 H58 ACE A 3 15.569 -17.730 -4.747 1.00 0.05 H HETATM 1484 H59 ACE A 3 13.813 -17.488 -5.042 1.00 0.05 H HETATM 1485 H57 ACE A 3 14.091 -16.452 -2.509 1.00 0.08 H HETATM 1486 H56 ACE A 3 14.271 -15.030 -5.133 1.00 0.19 H HETATM 1487 H53 ACE A 3 12.171 -13.834 -5.531 1.00 0.08 H HETATM 1488 H52 ACE A 3 11.227 -12.382 -3.100 1.00 0.19 H HETATM 1489 CB ACE A 3 9.037 -11.112 -3.441 1.00 0.02 C HETATM 1490 CG ACE A 3 7.843 -10.394 -2.883 1.00 -0.04 C HETATM 1491 CD1 ACE A 3 7.798 -10.034 -1.547 1.00 -0.06 C HETATM 1492 CE1 ACE A 3 6.700 -9.380 -1.031 1.00 -0.07 C HETATM 1493 CZ ACE A 3 5.631 -9.075 -1.850 1.00 -0.07 C HETATM 1494 CE2 ACE A 3 5.663 -9.426 -3.184 1.00 -0.07 C HETATM 1495 CD2 ACE A 3 6.765 -10.082 -3.696 1.00 -0.06 C HETATM 1496 H48 ACE A 3 6.787 -10.356 -4.745 1.00 0.06 H HETATM 1497 H50 ACE A 3 4.825 -9.187 -3.829 1.00 0.06 H HETATM 1498 H51 ACE A 3 4.767 -8.560 -1.445 1.00 0.06 H HETATM 1499 H49 ACE A 3 6.676 -9.105 0.017 1.00 0.06 H HETATM 1500 H47 ACE A 3 8.635 -10.269 -0.900 1.00 0.06 H HETATM 1501 H45 ACE A 3 9.323 -10.625 -4.385 1.00 0.05 H HETATM 1502 H46 ACE A 3 9.862 -11.024 -2.719 1.00 0.05 H HETATM 1503 H44 ACE A 3 7.898 -12.699 -4.345 1.00 0.08 H HETATM 1504 H43 ACE A 3 9.387 -13.660 -1.969 1.00 0.19 H HETATM 1505 H41 ACE A 3 6.386 -14.958 -0.674 1.00 0.08 H HETATM 1506 H42 ACE A 3 8.175 -15.118 -0.717 1.00 0.08 H HETATM 1507 H40 ACE A 3 6.934 -12.704 0.495 1.00 0.19 H HETATM 1508 CB ACE A 3 8.962 -13.563 3.857 1.00 -0.00 C HETATM 1509 CG ACE A 3 9.145 -12.581 5.004 1.00 0.00 C HETATM 1510 CD ACE A 3 8.587 -13.090 6.318 1.00 0.04 C HETATM 1511 OE1 ACE A 3 7.423 -12.765 6.644 1.00 -0.57 O HETATM 1512 OE2 ACE A 3 9.312 -13.800 7.039 1.00 -0.57 O HETATM 1513 H38 ACE A 3 8.633 -11.642 4.746 1.00 0.04 H HETATM 1514 H39 ACE A 3 10.220 -12.389 5.132 1.00 0.04 H HETATM 1515 H36 ACE A 3 9.954 -13.898 3.521 1.00 0.03 H HETATM 1516 H37 ACE A 3 8.388 -14.427 4.223 1.00 0.03 H HETATM 1517 H35 ACE A 3 8.753 -12.045 2.353 1.00 0.08 H HETATM 1518 H34 ACE A 3 6.287 -13.292 3.467 1.00 0.19 H HETATM 1519 CB ACE A 3 4.960 -10.907 4.867 1.00 0.02 C HETATM 1520 CG ACE A 3 4.391 -9.571 5.257 1.00 -0.04 C HETATM 1521 CD1 ACE A 3 3.040 -9.436 5.532 1.00 -0.06 C HETATM 1522 CE1 ACE A 3 2.511 -8.213 5.895 1.00 -0.07 C HETATM 1523 CZ ACE A 3 3.333 -7.108 5.987 1.00 -0.07 C HETATM 1524 CE2 ACE A 3 4.681 -7.228 5.717 1.00 -0.07 C HETATM 1525 CD2 ACE A 3 5.205 -8.453 5.355 1.00 -0.06 C HETATM 1526 H30 ACE A 3 6.265 -8.542 5.145 1.00 0.06 H HETATM 1527 H32 ACE A 3 5.328 -6.361 5.789 1.00 0.06 H HETATM 1528 H33 ACE A 3 2.920 -6.147 6.271 1.00 0.06 H HETATM 1529 H31 ACE A 3 1.452 -8.121 6.107 1.00 0.06 H HETATM 1530 H29 ACE A 3 2.390 -10.301 5.461 1.00 0.06 H HETATM 1531 H27 ACE A 3 5.993 -10.966 5.240 1.00 0.05 H HETATM 1532 H28 ACE A 3 4.354 -11.693 5.340 1.00 0.05 H HETATM 1533 H26 ACE A 3 4.570 -10.270 2.846 1.00 0.08 H HETATM 1534 H25 ACE A 3 3.707 -12.815 3.763 1.00 0.19 H HETATM 1535 CB ACE A 3 1.605 -13.484 1.389 1.00 0.04 C HETATM 1536 CG ACE A 3 1.264 -12.185 2.106 1.00 0.04 C HETATM 1537 OD1 ACE A 3 0.668 -12.247 3.203 1.00 -0.57 O HETATM 1538 OD2 ACE A 3 1.573 -11.101 1.569 1.00 -0.57 O HETATM 1539 H23 ACE A 3 0.949 -14.278 1.777 1.00 0.05 H HETATM 1540 H24 ACE A 3 1.419 -13.347 0.314 1.00 0.05 H HETATM 1541 H22 ACE A 3 3.386 -14.453 0.666 1.00 0.08 H HETATM 1542 H21 ACE A 3 2.558 -14.764 3.474 1.00 0.19 H HETATM 1543 CB ACE A 3 5.472 -17.460 4.033 1.00 0.08 C HETATM 1544 OG ACE A 3 5.270 -18.834 3.725 1.00 -0.39 O HETATM 1545 H20 ACE A 3 6.100 -19.294 3.775 1.00 0.21 H HETATM 1546 H18 ACE A 3 5.885 -17.375 5.049 1.00 0.06 H HETATM 1547 H19 ACE A 3 6.181 -17.029 3.311 1.00 0.06 H HETATM 1548 H17 ACE A 3 4.061 -16.061 4.858 1.00 0.08 H HETATM 1549 H16 ACE A 3 3.210 -18.563 3.602 1.00 0.19 H HETATM 1550 CB ACE A 3 0.871 -19.133 2.944 1.00 0.00 C HETATM 1551 CG ACE A 3 -0.267 -20.114 2.707 1.00 0.04 C HETATM 1552 CD ACE A 3 -0.303 -21.228 3.732 1.00 0.17 C HETATM 1553 OE1 ACE A 3 0.735 -21.692 4.204 1.00 -0.40 O HETATM 1554 NE2 ACE A 3 -1.499 -21.661 4.091 1.00 -0.30 N HETATM 1555 H14 ACE A 3 -1.583 -22.395 4.765 1.00 0.18 H HETATM 1556 H15 ACE A 3 -2.319 -21.254 3.689 1.00 0.18 H HETATM 1557 H12 ACE A 3 -0.146 -20.559 1.708 1.00 0.05 H HETATM 1558 H13 ACE A 3 -1.219 -19.565 2.751 1.00 0.05 H HETATM 1559 H10 ACE A 3 1.820 -19.689 2.926 1.00 0.03 H HETATM 1560 H11 ACE A 3 0.866 -18.391 2.132 1.00 0.03 H HETATM 1561 H9 ACE A 3 0.936 -19.110 5.095 1.00 0.08 H HETATM 1562 H8 ACE A 3 -0.911 -17.210 3.716 1.00 0.19 H HETATM 1563 CB ACE A 3 -2.677 -16.275 6.592 1.00 0.04 C HETATM 1564 CG ACE A 3 -2.996 -14.916 6.000 1.00 0.04 C HETATM 1565 OD1 ACE A 3 -3.674 -14.111 6.675 1.00 -0.57 O HETATM 1566 OD2 ACE A 3 -2.586 -14.651 4.850 1.00 -0.57 O HETATM 1567 H6 ACE A 3 -1.688 -16.228 7.071 1.00 0.05 H HETATM 1568 H7 ACE A 3 -3.439 -16.519 7.347 1.00 0.05 H HETATM 1569 H5 ACE A 3 -2.858 -16.932 4.553 1.00 0.08 H HETATM 1570 H4 ACE A 3 -4.150 -18.366 6.700 1.00 0.19 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 324 323 1412 CONECT 336 335 1411 1412 CONECT 337 335 1411 CONECT 386 384 1411 CONECT 945 944 1411 CONECT 946 944 1412 CONECT 970 969 1412 CONECT 1411 336 337 386 945 CONECT 1412 324 336 946 970 CONECT 1413 1414 1415 1419 CONECT 1414 1413 CONECT 1415 1413 1416 1417 1418 CONECT 1416 1415 CONECT 1417 1415 CONECT 1418 1415 CONECT 1419 1413 1420 1570 CONECT 1420 1419 1421 1563 1569 CONECT 1421 1420 1422 1423 CONECT 1422 1421 CONECT 1423 1421 1424 1562 CONECT 1424 1423 1425 1550 1561 CONECT 1425 1424 1426 1427 CONECT 1426 1425 CONECT 1427 1425 1428 1549 CONECT 1428 1427 1429 1543 1548 CONECT 1429 1428 1430 1431 CONECT 1430 1429 CONECT 1431 1429 1432 1542 CONECT 1432 1431 1433 1535 1541 CONECT 1433 1432 1434 1435 CONECT 1434 1433 CONECT 1435 1433 1436 1534 CONECT 1436 1435 1437 1519 1533 CONECT 1437 1436 1438 1439 CONECT 1438 1437 CONECT 1439 1437 1440 1518 CONECT 1440 1439 1441 1508 1517 CONECT 1441 1440 1442 1443 CONECT 1442 1441 CONECT 1443 1441 1444 1507 CONECT 1444 1443 1445 1505 1506 CONECT 1445 1444 1446 1447 CONECT 1446 1445 CONECT 1447 1445 1448 1504 CONECT 1448 1447 1449 1489 1503 CONECT 1449 1448 1450 1451 CONECT 1450 1449 CONECT 1451 1449 1452 1488 CONECT 1452 1451 1453 1461 1487 CONECT 1453 1452 1454 1459 1460 CONECT 1454 1453 1455 CONECT 1455 1454 1456 1457 1458 CONECT 1456 1455 CONECT 1457 1455 CONECT 1458 1455 CONECT 1459 1453 CONECT 1460 1453 CONECT 1461 1452 1462 1463 CONECT 1462 1461 CONECT 1463 1461 1464 1486 CONECT 1464 1463 1465 1470 1485 CONECT 1465 1464 1466 1467 CONECT 1466 1465 CONECT 1467 1465 1468 1469 CONECT 1468 1467 CONECT 1469 1467 CONECT 1470 1464 1471 1483 1484 CONECT 1471 1470 1472 1476 CONECT 1472 1471 1473 1482 CONECT 1473 1472 1474 1481 CONECT 1474 1473 1475 1479 CONECT 1475 1474 1476 1478 CONECT 1476 1471 1475 1477 CONECT 1477 1476 CONECT 1478 1475 CONECT 1479 1474 1480 CONECT 1480 1479 CONECT 1481 1473 CONECT 1482 1472 CONECT 1483 1470 CONECT 1484 1470 CONECT 1485 1464 CONECT 1486 1463 CONECT 1487 1452 CONECT 1488 1451 CONECT 1489 1448 1490 1501 1502 CONECT 1490 1489 1491 1495 CONECT 1491 1490 1492 1500 CONECT 1492 1491 1493 1499 CONECT 1493 1492 1494 1498 CONECT 1494 1493 1495 1497 CONECT 1495 1490 1494 1496 CONECT 1496 1495 CONECT 1497 1494 CONECT 1498 1493 CONECT 1499 1492 CONECT 1500 1491 CONECT 1501 1489 CONECT 1502 1489 CONECT 1503 1448 CONECT 1504 1447 CONECT 1505 1444 CONECT 1506 1444 CONECT 1507 1443 CONECT 1508 1440 1509 1515 1516 CONECT 1509 1508 1510 1513 1514 CONECT 1510 1509 1511 1512 CONECT 1511 1510 CONECT 1512 1510 CONECT 1513 1509 CONECT 1514 1509 CONECT 1515 1508 CONECT 1516 1508 CONECT 1517 1440 CONECT 1518 1439 CONECT 1519 1436 1520 1531 1532 CONECT 1520 1519 1521 1525 CONECT 1521 1520 1522 1530 CONECT 1522 1521 1523 1529 CONECT 1523 1522 1524 1528 CONECT 1524 1523 1525 1527 CONECT 1525 1520 1524 1526 CONECT 1526 1525 CONECT 1527 1524 CONECT 1528 1523 CONECT 1529 1522 CONECT 1530 1521 CONECT 1531 1519 CONECT 1532 1519 CONECT 1533 1436 CONECT 1534 1435 CONECT 1535 1432 1536 1539 1540 CONECT 1536 1535 1537 1538 CONECT 1537 1536 CONECT 1538 1536 CONECT 1539 1535 CONECT 1540 1535 CONECT 1541 1432 CONECT 1542 1431 CONECT 1543 1428 1544 1546 1547 CONECT 1544 1543 1545 CONECT 1545 1544 CONECT 1546 1543 CONECT 1547 1543 CONECT 1548 1428 CONECT 1549 1427 CONECT 1550 1424 1551 1559 1560 CONECT 1551 1550 1552 1557 1558 CONECT 1552 1551 1553 1554 CONECT 1553 1552 CONECT 1554 1552 1555 1556 CONECT 1555 1554 CONECT 1556 1554 CONECT 1557 1551 CONECT 1558 1551 CONECT 1559 1550 CONECT 1560 1550 CONECT 1561 1424 CONECT 1562 1423 CONECT 1563 1420 1564 1567 1568 CONECT 1564 1563 1565 1566 CONECT 1565 1564 CONECT 1566 1564 CONECT 1567 1563 CONECT 1568 1563 CONECT 1569 1420 CONECT 1570 1419 MASTER 0 0 0 0 0 0 0 0 1569 1 171 11 END
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PDBbind
12-mer
6peu
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6o3x
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PDBbind
12-mer
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PDBbind
12-mer
6k5r
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PDBbind
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PDBbind
12-mer
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PDBbind
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Entry Information
PDB ID
5w4s
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Protein kinase C alpha type
Ligand Name
12-mer
EC.Number
E.C.2.7.11.13
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=94uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Biophys. J. Vol. 114: pp. 1590-1603
Ligand Properties
Formula
C
5
5
H
7
2
N
1
2
O
2
4
P
Molecular Weight
1316.200
Exact Mass
1315.450
No. of atoms
164
No. of bonds
166
Polar Surface Area
613.05
LOGP Value
-1.82 (
Computed with XLOGP3
)
-1.54 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 14
No. of Hydrogen Bond Acceptors: 23
No. of Rotatable Bonds: 48
No. of Nitrogen and Oxygen Atoms: 36
No. of Rings: 3
Canonical SMILES
OC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccc(cc1)O)COP(O)(O)O)Cc1ccccc1)CCC(=O)O)Cc1ccccc1)CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C)CC(=O)O)CCC(=O)N
InChI String
InChI=1S/C55H73N12O24P/c1-28(69)59-38(23-45(75)76)52(84)62-34(16-18-42(56)71)49(81)66-40(26-68)54(86)65-39(24-46(77)78)53(85)64-37(22-30-10-6-3-7-11-30)51(83)61-33(17-19-44(73)74)48(80)58-25-43(72)60-36(21-29-8-4-2-5-9-29)50(82)67-41(27-91-92(88,89)90)55(87)63-35(47(57)79)20-31-12-14-32(70)15-13-31/h2-15,33-41,68,70,88-90,92H,16-27H2,1H3,(H2,56,71)(H2,57,79)(H,58,80)(H,59,69)(H,60,72)(H,61,83)(H,62,84)(H,63,87)(H,64,85)(H,65,86)(H,66,81)(H,67,82)(H,73,74)(H,75,76)(H,77,78)/t33-,34-,35-,36-,37-,38-,39-,40-,41-/m0/s1
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UniProtKB AC
UniProt accession number (AC):
P05696
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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