Browse entries in the PDBbind-CN Database
HEADER 6JJZ_COMPLEX COMPND 6JJZ_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 88 SER ASP PRO LEU PRO ASP ASN TRP GLU MET ALA TYR THR SEQRES 2 A 88 GLU LYS GLY GLU VAL TYR PHE ILE ASP HIS ASN THR LYS SEQRES 3 A 88 THR THR SER TRP LEU ASP PRO ARG LEU ALA LYS LYS ALA SEQRES 4 A 88 LYS PRO PRO GLU GLU CYS LYS GLU ASN GLU LEU PRO TYR SEQRES 5 A 88 GLY TRP GLU LYS ILE ASP ASP PRO ILE TYR GLY THR TYR SEQRES 6 A 88 TYR VAL ASP HIS ILE ASN ARG ARG THR GLN PHE GLU ASN SEQRES 7 A 88 PRO VAL LEU GLU ALA LYS ARG LYS LEU GLN HET ASP A 161 184 ATOM 1 N SER A 300 -4.493 7.123 5.731 1.00 63.09 N ATOM 2 CA SER A 300 -5.943 7.253 5.649 1.00 62.68 C ATOM 3 C SER A 300 -6.655 6.339 6.647 1.00 58.20 C ATOM 4 O SER A 300 -7.300 5.367 6.262 1.00 60.58 O ATOM 5 CB SER A 300 -6.429 6.952 4.230 1.00 65.34 C ATOM 6 HN3 SER A 300 -4.222 6.140 5.524 1.00 0.00 H ATOM 7 HN2 SER A 300 -4.177 7.377 6.689 1.00 0.00 H ATOM 8 HN1 SER A 300 -4.049 7.759 5.038 1.00 0.00 H ATOM 9 N ASP A 301 -6.531 6.655 7.931 1.00 50.31 N ATOM 10 CA ASP A 301 -7.263 5.934 8.968 1.00 46.01 C ATOM 11 C ASP A 301 -8.710 6.415 9.179 1.00 44.68 C ATOM 12 O ASP A 301 -9.606 5.583 9.322 1.00 45.08 O ATOM 13 CB ASP A 301 -6.508 6.005 10.307 1.00 41.88 C ATOM 14 CG ASP A 301 -5.320 5.061 10.359 1.00 42.85 C ATOM 15 OD1 ASP A 301 -5.337 4.042 9.632 1.00 44.74 O ATOM 16 OD2 ASP A 301 -4.374 5.330 11.130 1.00 46.92 O ATOM 17 H ASP A 301 -5.898 7.434 8.204 1.00 0.00 H ATOM 18 N PRO A 302 -8.952 7.745 9.210 1.00 40.40 N ATOM 19 CA PRO A 302 -10.294 8.159 9.644 1.00 36.36 C ATOM 20 C PRO A 302 -11.441 7.713 8.737 1.00 37.66 C ATOM 21 O PRO A 302 -11.311 7.653 7.510 1.00 39.52 O ATOM 22 CB PRO A 302 -10.201 9.694 9.652 1.00 38.03 C ATOM 23 CG PRO A 302 -8.758 9.984 9.796 1.00 42.32 C ATOM 24 CD PRO A 302 -8.077 8.915 9.007 1.00 46.01 C ATOM 25 N LEU A 303 -12.562 7.391 9.372 1.00 37.71 N ATOM 26 CA LEU A 303 -13.823 7.210 8.671 1.00 31.84 C ATOM 27 C LEU A 303 -14.313 8.576 8.232 1.00 30.39 C ATOM 28 O LEU A 303 -13.863 9.594 8.770 1.00 33.59 O ATOM 29 CB LEU A 303 -14.859 6.542 9.576 1.00 33.47 C ATOM 30 CG LEU A 303 -14.626 5.085 9.980 1.00 33.12 C ATOM 31 CD1 LEU A 303 -15.495 4.730 11.166 1.00 37.29 C ATOM 32 CD2 LEU A 303 -14.933 4.187 8.799 1.00 32.14 C ATOM 33 H LEU A 303 -12.537 7.264 10.404 1.00 0.00 H ATOM 34 N PRO A 304 -15.235 8.615 7.256 1.00 32.97 N ATOM 35 CA PRO A 304 -15.872 9.886 6.906 1.00 33.77 C ATOM 36 C PRO A 304 -16.560 10.508 8.111 1.00 36.08 C ATOM 37 O PRO A 304 -16.872 9.807 9.076 1.00 34.65 O ATOM 38 CB PRO A 304 -16.893 9.491 5.835 1.00 35.50 C ATOM 39 CG PRO A 304 -16.345 8.249 5.243 1.00 35.21 C ATOM 40 CD PRO A 304 -15.659 7.523 6.360 1.00 33.11 C ATOM 41 N ASP A 305 -16.778 11.815 8.057 1.00 36.24 N ATOM 42 CA ASP A 305 -17.460 12.511 9.134 1.00 38.01 C ATOM 43 C ASP A 305 -18.814 11.880 9.438 1.00 33.75 C ATOM 44 O ASP A 305 -19.573 11.535 8.529 1.00 35.18 O ATOM 45 CB ASP A 305 -17.637 13.992 8.788 1.00 41.93 C ATOM 46 CG ASP A 305 -16.334 14.764 8.846 1.00 54.81 C ATOM 47 OD1 ASP A 305 -15.263 14.123 8.902 1.00 56.42 O ATOM 48 OD2 ASP A 305 -16.380 16.012 8.836 1.00 63.49 O ATOM 49 H ASP A 305 -16.454 12.352 7.227 1.00 0.00 H ATOM 50 N ASN A 306 -19.080 11.723 10.732 1.00 32.96 N ATOM 51 CA ASN A 306 -20.348 11.234 11.262 1.00 36.70 C ATOM 52 C ASN A 306 -20.533 9.735 11.036 1.00 32.57 C ATOM 53 O ASN A 306 -21.655 9.240 11.043 1.00 32.35 O ATOM 54 CB ASN A 306 -21.527 12.013 10.673 1.00 43.42 C ATOM 55 CG ASN A 306 -22.627 12.261 11.692 1.00 52.98 C ATOM 56 OD1 ASN A 306 -22.430 12.074 12.895 1.00 56.96 O ATOM 57 ND2 ASN A 306 -23.793 12.682 11.213 1.00 60.20 N ATOM 58 HD22 ASN A 306 -23.913 12.826 10.190 1.00 0.00 H ATOM 59 HD21 ASN A 306 -24.585 12.867 11.861 1.00 0.00 H ATOM 60 H ASN A 306 -18.332 11.966 11.413 1.00 0.00 H ATOM 61 N TRP A 307 -19.423 9.022 10.859 1.00 28.45 N ATOM 62 CA TRP A 307 -19.436 7.563 10.831 1.00 25.11 C ATOM 63 C TRP A 307 -18.782 6.993 12.080 1.00 27.98 C ATOM 64 O TRP A 307 -17.913 7.630 12.683 1.00 30.41 O ATOM 65 CB TRP A 307 -18.694 7.009 9.622 1.00 25.09 C ATOM 66 CG TRP A 307 -19.395 7.126 8.298 1.00 23.56 C ATOM 67 CD1 TRP A 307 -19.658 8.265 7.601 1.00 26.89 C ATOM 68 CD2 TRP A 307 -19.858 6.040 7.491 1.00 27.92 C ATOM 69 NE1 TRP A 307 -20.277 7.954 6.405 1.00 31.31 N ATOM 70 CE2 TRP A 307 -20.413 6.595 6.318 1.00 28.56 C ATOM 71 CE3 TRP A 307 -19.878 4.653 7.658 1.00 25.00 C ATOM 72 CZ2 TRP A 307 -20.970 5.807 5.306 1.00 26.30 C ATOM 73 CZ3 TRP A 307 -20.422 3.861 6.645 1.00 27.22 C ATOM 74 CH2 TRP A 307 -20.969 4.450 5.481 1.00 26.72 C ATOM 75 HE1 TRP A 307 -20.588 8.640 5.688 1.00 0.00 H ATOM 76 H TRP A 307 -18.518 9.520 10.737 1.00 0.00 H ATOM 77 N GLU A 308 -19.188 5.780 12.445 1.00 25.36 N ATOM 78 CA GLU A 308 -18.499 4.995 13.467 1.00 25.96 C ATOM 79 C GLU A 308 -18.271 3.575 12.957 1.00 27.16 C ATOM 80 O GLU A 308 -18.810 3.179 11.916 1.00 25.09 O ATOM 81 CB GLU A 308 -19.301 4.957 14.767 1.00 29.56 C ATOM 82 CG GLU A 308 -19.473 6.302 15.430 1.00 29.82 C ATOM 83 CD GLU A 308 -20.142 6.167 16.768 1.00 33.96 C ATOM 84 OE1 GLU A 308 -19.436 5.850 17.748 1.00 38.79 O ATOM 85 OE2 GLU A 308 -21.371 6.353 16.838 1.00 37.89 O ATOM 86 H GLU A 308 -20.028 5.375 11.985 1.00 0.00 H ATOM 87 N MET A 309 -17.458 2.807 13.671 1.00 22.92 N ATOM 88 CA MET A 309 -17.349 1.379 13.383 1.00 21.50 C ATOM 89 C MET A 309 -17.542 0.644 14.694 1.00 25.37 C ATOM 90 O MET A 309 -17.212 1.166 15.762 1.00 26.34 O ATOM 91 CB MET A 309 -16.009 1.015 12.733 1.00 21.54 C ATOM 92 CG MET A 309 -14.778 1.436 13.525 1.00 30.10 C ATOM 93 SD MET A 309 -13.285 1.387 12.505 1.00 30.21 S ATOM 94 CE MET A 309 -13.278 -0.319 12.005 1.00 26.62 C ATOM 95 H MET A 309 -16.895 3.224 14.440 1.00 0.00 H ATOM 96 N ALA A 310 -18.115 -0.546 14.609 1.00 23.85 N ATOM 97 CA ALA A 310 -18.411 -1.335 15.797 1.00 23.94 C ATOM 98 C ALA A 310 -18.349 -2.820 15.482 1.00 25.11 C ATOM 99 O ALA A 310 -18.140 -3.213 14.327 1.00 25.26 O ATOM 100 CB ALA A 310 -19.773 -0.960 16.359 1.00 24.93 C ATOM 101 H ALA A 310 -18.360 -0.926 13.672 1.00 0.00 H ATOM 102 N TYR A 311 -18.528 -3.652 16.507 1.00 25.57 N ATOM 103 CA TYR A 311 -18.320 -5.098 16.365 1.00 24.57 C ATOM 104 C TYR A 311 -19.482 -5.916 16.908 1.00 24.15 C ATOM 105 O TYR A 311 -20.074 -5.570 17.934 1.00 27.37 O ATOM 106 CB TYR A 311 -17.011 -5.516 17.063 1.00 25.62 C ATOM 107 CG TYR A 311 -15.813 -4.880 16.412 1.00 25.52 C ATOM 108 CD1 TYR A 311 -15.425 -3.583 16.734 1.00 27.23 C ATOM 109 CD2 TYR A 311 -15.104 -5.548 15.426 1.00 27.05 C ATOM 110 CE1 TYR A 311 -14.349 -2.992 16.110 1.00 25.72 C ATOM 111 CE2 TYR A 311 -14.027 -4.962 14.798 1.00 25.57 C ATOM 112 CZ TYR A 311 -13.657 -3.682 15.139 1.00 24.16 C ATOM 113 OH TYR A 311 -12.585 -3.098 14.499 1.00 24.29 O ATOM 114 HH TYR A 311 -11.772 -3.640 14.657 1.00 0.00 H ATOM 115 H TYR A 311 -18.822 -3.268 17.428 1.00 0.00 H ATOM 116 N THR A 312 -19.818 -6.985 16.188 1.00 26.21 N ATOM 117 CA THR A 312 -20.846 -7.921 16.614 1.00 23.98 C ATOM 118 C THR A 312 -20.285 -8.781 17.732 1.00 27.06 C ATOM 119 O THR A 312 -19.096 -8.714 18.019 1.00 28.84 O ATOM 120 CB THR A 312 -21.308 -8.819 15.465 1.00 31.65 C ATOM 121 OG1 THR A 312 -20.260 -9.741 15.131 1.00 28.81 O ATOM 122 CG2 THR A 312 -21.662 -7.975 14.248 1.00 32.76 C ATOM 123 HG1 THR A 312 -20.558 -10.323 14.387 1.00 0.00 H ATOM 124 H THR A 312 -19.327 -7.157 15.288 1.00 0.00 H ATOM 125 N GLU A 313 -21.131 -9.600 18.350 1.00 32.13 N ATOM 126 CA GLU A 313 -20.672 -10.486 19.414 1.00 33.89 C ATOM 127 C GLU A 313 -19.715 -11.538 18.876 1.00 33.12 C ATOM 128 O GLU A 313 -19.016 -12.195 19.643 1.00 37.93 O ATOM 129 CB GLU A 313 -21.855 -11.171 20.104 1.00 40.39 C ATOM 130 CG GLU A 313 -22.480 -12.302 19.309 1.00 41.24 C ATOM 131 CD GLU A 313 -23.351 -11.815 18.165 1.00 51.51 C ATOM 132 OE1 GLU A 313 -23.408 -10.589 17.924 1.00 53.61 O ATOM 133 OE2 GLU A 313 -23.986 -12.664 17.502 1.00 58.50 O ATOM 134 H GLU A 313 -22.133 -9.609 18.071 1.00 0.00 H ATOM 135 N LYS A 314 -19.693 -11.693 17.555 1.00 30.82 N ATOM 136 CA LYS A 314 -18.811 -12.651 16.901 1.00 35.27 C ATOM 137 C LYS A 314 -17.514 -11.983 16.484 1.00 28.81 C ATOM 138 O LYS A 314 -16.665 -12.610 15.856 1.00 32.25 O ATOM 139 CB LYS A 314 -19.483 -13.273 15.675 1.00 38.99 C ATOM 140 CG LYS A 314 -20.687 -14.147 15.975 1.00 45.99 C ATOM 141 CD LYS A 314 -20.877 -15.182 14.873 1.00 55.12 C ATOM 142 CE LYS A 314 -22.233 -15.861 14.951 1.00 64.48 C ATOM 143 NZ LYS A 314 -23.330 -14.934 14.553 1.00 67.48 N ATOM 144 HZ1 LYS A 314 -23.335 -14.112 15.190 1.00 0.00 H ATOM 145 HZ2 LYS A 314 -23.176 -14.616 13.575 1.00 0.00 H ATOM 146 HZ3 LYS A 314 -24.242 -15.430 14.618 1.00 0.00 H ATOM 147 H LYS A 314 -20.326 -11.111 16.970 1.00 0.00 H ATOM 148 N GLY A 315 -17.378 -10.702 16.823 1.00 28.37 N ATOM 149 CA GLY A 315 -16.178 -9.943 16.518 1.00 32.01 C ATOM 150 C GLY A 315 -16.112 -9.404 15.102 1.00 30.90 C ATOM 151 O GLY A 315 -15.038 -9.038 14.629 1.00 32.99 O ATOM 152 H GLY A 315 -18.158 -10.229 17.323 1.00 0.00 H ATOM 153 N GLU A 316 -17.257 -9.362 14.422 1.00 28.35 N ATOM 154 CA GLU A 316 -17.319 -8.912 13.032 1.00 26.07 C ATOM 155 C GLU A 316 -17.471 -7.404 12.990 1.00 26.85 C ATOM 156 O GLU A 316 -18.356 -6.864 13.642 1.00 26.04 O ATOM 157 CB GLU A 316 -18.496 -9.559 12.295 1.00 30.94 C ATOM 158 CG GLU A 316 -18.604 -11.057 12.456 1.00 39.84 C ATOM 159 CD GLU A 316 -20.029 -11.551 12.279 1.00 47.54 C ATOM 160 OE1 GLU A 316 -20.921 -11.105 13.038 1.00 40.65 O ATOM 161 OE2 GLU A 316 -20.260 -12.385 11.382 1.00 53.32 O ATOM 162 H GLU A 316 -18.135 -9.659 14.895 1.00 0.00 H ATOM 163 N VAL A 317 -16.628 -6.728 12.217 1.00 28.08 N ATOM 164 CA VAL A 317 -16.717 -5.276 12.127 1.00 24.46 C ATOM 165 C VAL A 317 -17.859 -4.863 11.206 1.00 22.67 C ATOM 166 O VAL A 317 -18.162 -5.541 10.210 1.00 24.54 O ATOM 167 CB VAL A 317 -15.398 -4.647 11.626 1.00 28.46 C ATOM 168 CG1 VAL A 317 -15.187 -4.913 10.131 1.00 25.68 C ATOM 169 CG2 VAL A 317 -15.398 -3.165 11.890 1.00 25.63 C ATOM 170 H VAL A 317 -15.902 -7.237 11.674 1.00 0.00 H ATOM 171 N TYR A 318 -18.518 -3.765 11.559 1.00 23.25 N ATOM 172 CA TYR A 318 -19.490 -3.149 10.657 1.00 25.39 C ATOM 173 C TYR A 318 -19.437 -1.636 10.824 1.00 24.44 C ATOM 174 O TYR A 318 -18.805 -1.111 11.748 1.00 23.65 O ATOM 175 CB TYR A 318 -20.911 -3.682 10.901 1.00 22.53 C ATOM 176 CG TYR A 318 -21.508 -3.335 12.254 1.00 23.96 C ATOM 177 CD1 TYR A 318 -21.170 -4.062 13.392 1.00 23.15 C ATOM 178 CD2 TYR A 318 -22.431 -2.300 12.391 1.00 22.32 C ATOM 179 CE1 TYR A 318 -21.706 -3.754 14.624 1.00 29.71 C ATOM 180 CE2 TYR A 318 -22.982 -1.992 13.633 1.00 22.56 C ATOM 181 CZ TYR A 318 -22.611 -2.729 14.743 1.00 26.56 C ATOM 182 OH TYR A 318 -23.143 -2.439 15.988 1.00 27.46 O ATOM 183 HH TYR A 318 -22.768 -3.062 16.659 1.00 0.00 H ATOM 184 H TYR A 318 -18.340 -3.337 12.490 1.00 0.00 H ATOM 185 N PHE A 319 -20.095 -0.926 9.920 1.00 22.24 N ATOM 186 CA PHE A 319 -19.926 0.507 9.865 1.00 22.07 C ATOM 187 C PHE A 319 -21.251 1.221 10.054 1.00 23.00 C ATOM 188 O PHE A 319 -22.289 0.770 9.576 1.00 24.84 O ATOM 189 CB PHE A 319 -19.217 0.861 8.546 1.00 20.44 C ATOM 190 CG PHE A 319 -17.861 0.231 8.460 1.00 22.37 C ATOM 191 CD1 PHE A 319 -16.747 0.881 8.973 1.00 23.75 C ATOM 192 CD2 PHE A 319 -17.713 -1.064 7.978 1.00 22.31 C ATOM 193 CE1 PHE A 319 -15.496 0.269 8.960 1.00 20.12 C ATOM 194 CE2 PHE A 319 -16.471 -1.676 7.959 1.00 25.22 C ATOM 195 CZ PHE A 319 -15.362 -1.001 8.443 1.00 21.83 C ATOM 196 H PHE A 319 -20.733 -1.401 9.250 1.00 0.00 H ATOM 197 N ILE A 320 -21.201 2.305 10.816 1.00 21.73 N ATOM 198 CA ILE A 320 -22.391 3.042 11.219 1.00 21.55 C ATOM 199 C ILE A 320 -22.363 4.418 10.590 1.00 23.76 C ATOM 200 O ILE A 320 -21.449 5.203 10.826 1.00 28.89 O ATOM 201 CB ILE A 320 -22.496 3.169 12.759 1.00 21.65 C ATOM 202 CG1 ILE A 320 -22.483 1.779 13.412 1.00 22.64 C ATOM 203 CG2 ILE A 320 -23.754 3.931 13.133 1.00 24.35 C ATOM 204 CD1 ILE A 320 -22.212 1.823 14.935 1.00 25.88 C ATOM 205 H ILE A 320 -20.272 2.643 11.140 1.00 0.00 H ATOM 206 N ASP A 321 -23.358 4.681 9.747 1.00 24.48 N ATOM 207 CA ASP A 321 -23.480 5.949 9.047 1.00 25.60 C ATOM 208 C ASP A 321 -24.566 6.818 9.681 1.00 27.55 C ATOM 209 O ASP A 321 -25.753 6.650 9.398 1.00 31.67 O ATOM 210 CB ASP A 321 -23.778 5.666 7.568 1.00 25.88 C ATOM 211 CG ASP A 321 -23.886 6.914 6.737 1.00 35.02 C ATOM 212 OD1 ASP A 321 -23.594 8.011 7.246 1.00 37.54 O ATOM 213 OD2 ASP A 321 -24.251 6.779 5.546 1.00 37.09 O ATOM 214 H ASP A 321 -24.078 3.949 9.582 1.00 0.00 H ATOM 215 N HIS A 322 -24.157 7.750 10.542 1.00 28.79 N ATOM 216 CA HIS A 322 -25.116 8.631 11.207 1.00 31.08 C ATOM 217 C HIS A 322 -25.748 9.650 10.255 1.00 33.35 C ATOM 218 O HIS A 322 -26.746 10.290 10.594 1.00 38.80 O ATOM 219 CB HIS A 322 -24.453 9.374 12.376 1.00 33.44 C ATOM 220 CG HIS A 322 -24.032 8.482 13.500 1.00 34.87 C ATOM 221 ND1 HIS A 322 -24.937 7.876 14.349 1.00 37.61 N ATOM 222 CD2 HIS A 322 -22.805 8.092 13.920 1.00 32.39 C ATOM 223 CE1 HIS A 322 -24.284 7.148 15.237 1.00 37.15 C ATOM 224 NE2 HIS A 322 -22.988 7.266 15.004 1.00 36.87 N ATOM 225 H HIS A 322 -23.142 7.852 10.743 1.00 0.00 H ATOM 226 N ASN A 323 -25.170 9.810 9.067 1.00 32.22 N ATOM 227 CA ASN A 323 -25.732 10.737 8.088 1.00 33.59 C ATOM 228 C ASN A 323 -27.085 10.272 7.578 1.00 37.36 C ATOM 229 O ASN A 323 -27.972 11.082 7.303 1.00 46.23 O ATOM 230 CB ASN A 323 -24.782 10.923 6.901 1.00 37.20 C ATOM 231 CG ASN A 323 -23.449 11.501 7.312 1.00 43.11 C ATOM 232 OD1 ASN A 323 -23.355 12.669 7.667 1.00 42.82 O ATOM 233 ND2 ASN A 323 -22.404 10.680 7.268 1.00 51.02 N ATOM 234 HD22 ASN A 323 -22.529 9.695 6.960 1.00 0.00 H ATOM 235 HD21 ASN A 323 -21.461 11.023 7.542 1.00 0.00 H ATOM 236 H ASN A 323 -24.312 9.271 8.834 1.00 0.00 H ATOM 237 N THR A 324 -27.236 8.962 7.454 1.00 34.14 N ATOM 238 CA THR A 324 -28.432 8.376 6.870 1.00 33.96 C ATOM 239 C THR A 324 -29.125 7.441 7.840 1.00 34.91 C ATOM 240 O THR A 324 -30.154 6.845 7.505 1.00 35.71 O ATOM 241 CB THR A 324 -28.103 7.588 5.597 1.00 38.26 C ATOM 242 OG1 THR A 324 -27.030 6.678 5.877 1.00 34.91 O ATOM 243 CG2 THR A 324 -27.695 8.528 4.478 1.00 38.54 C ATOM 244 HG1 THR A 324 -26.234 7.188 6.170 1.00 0.00 H ATOM 245 H THR A 324 -26.476 8.333 7.784 1.00 0.00 H ATOM 246 N LYS A 325 -28.551 7.326 9.037 1.00 31.50 N ATOM 247 CA LYS A 325 -29.061 6.443 10.082 1.00 37.47 C ATOM 248 C LYS A 325 -29.158 5.002 9.588 1.00 35.85 C ATOM 249 O LYS A 325 -30.200 4.351 9.716 1.00 35.78 O ATOM 250 CB LYS A 325 -30.419 6.938 10.587 1.00 40.68 C ATOM 251 CG LYS A 325 -30.357 8.311 11.248 1.00 48.05 C ATOM 252 CD LYS A 325 -31.719 8.744 11.766 1.00 54.03 C ATOM 253 H LYS A 325 -27.701 7.891 9.236 1.00 0.00 H ATOM 254 N THR A 326 -28.061 4.521 9.009 1.00 28.17 N ATOM 255 CA THR A 326 -27.975 3.156 8.502 1.00 24.53 C ATOM 256 C THR A 326 -26.684 2.486 8.951 1.00 23.64 C ATOM 257 O THR A 326 -25.757 3.145 9.422 1.00 27.37 O ATOM 258 CB THR A 326 -28.018 3.111 6.960 1.00 28.52 C ATOM 259 OG1 THR A 326 -26.928 3.876 6.445 1.00 31.24 O ATOM 260 CG2 THR A 326 -29.304 3.697 6.445 1.00 38.26 C ATOM 261 HG1 THR A 326 -27.008 4.813 6.756 1.00 0.00 H ATOM 262 H THR A 326 -27.232 5.142 8.914 1.00 0.00 H ATOM 263 N THR A 327 -26.632 1.165 8.784 1.00 22.99 N ATOM 264 CA THR A 327 -25.428 0.385 9.046 1.00 22.37 C ATOM 265 C THR A 327 -25.130 -0.479 7.828 1.00 23.30 C ATOM 266 O THR A 327 -26.033 -0.823 7.072 1.00 28.48 O ATOM 267 CB THR A 327 -25.569 -0.517 10.272 1.00 26.00 C ATOM 268 OG1 THR A 327 -26.647 -1.438 10.063 1.00 24.58 O ATOM 269 CG2 THR A 327 -25.855 0.321 11.528 1.00 24.88 C ATOM 270 HG1 THR A 327 -26.739 -2.022 10.857 1.00 0.00 H ATOM 271 H THR A 327 -27.485 0.670 8.453 1.00 0.00 H ATOM 272 N SER A 328 -23.865 -0.841 7.656 1.00 22.82 N ATOM 273 CA SER A 328 -23.447 -1.627 6.489 1.00 23.65 C ATOM 274 C SER A 328 -22.212 -2.435 6.812 1.00 25.05 C ATOM 275 O SER A 328 -21.393 -2.016 7.640 1.00 23.13 O ATOM 276 CB SER A 328 -23.159 -0.715 5.304 1.00 25.51 C ATOM 277 OG SER A 328 -22.600 -1.453 4.230 1.00 23.60 O ATOM 278 HG SER A 328 -23.237 -2.156 3.947 1.00 0.00 H ATOM 279 H SER A 328 -23.155 -0.562 8.363 1.00 0.00 H ATOM 280 N TRP A 329 -22.063 -3.587 6.167 1.00 19.63 N ATOM 281 CA TRP A 329 -20.836 -4.358 6.314 1.00 19.38 C ATOM 282 C TRP A 329 -19.684 -3.698 5.566 1.00 22.42 C ATOM 283 O TRP A 329 -18.521 -3.996 5.824 1.00 25.24 O ATOM 284 CB TRP A 329 -21.000 -5.785 5.791 1.00 21.61 C ATOM 285 CG TRP A 329 -21.921 -6.669 6.567 1.00 23.90 C ATOM 286 CD1 TRP A 329 -23.083 -7.230 6.123 1.00 27.19 C ATOM 287 CD2 TRP A 329 -21.754 -7.113 7.923 1.00 21.27 C ATOM 288 NE1 TRP A 329 -23.652 -7.991 7.113 1.00 24.97 N ATOM 289 CE2 TRP A 329 -22.856 -7.938 8.229 1.00 23.00 C ATOM 290 CE3 TRP A 329 -20.780 -6.893 8.903 1.00 28.27 C ATOM 291 CZ2 TRP A 329 -23.012 -8.551 9.470 1.00 23.60 C ATOM 292 CZ3 TRP A 329 -20.940 -7.500 10.144 1.00 24.48 C ATOM 293 CH2 TRP A 329 -22.052 -8.309 10.419 1.00 24.83 C ATOM 294 HE1 TRP A 329 -24.542 -8.522 7.031 1.00 0.00 H ATOM 295 H TRP A 329 -22.826 -3.940 5.554 1.00 0.00 H ATOM 296 N LEU A 330 -20.005 -2.833 4.608 1.00 22.31 N ATOM 297 CA LEU A 330 -18.973 -2.245 3.759 1.00 21.50 C ATOM 298 C LEU A 330 -18.245 -1.077 4.405 1.00 23.01 C ATOM 299 O LEU A 330 -18.861 -0.087 4.797 1.00 24.25 O ATOM 300 CB LEU A 330 -19.580 -1.780 2.426 1.00 18.66 C ATOM 301 CG LEU A 330 -20.081 -2.931 1.555 1.00 23.83 C ATOM 302 CD1 LEU A 330 -20.756 -2.373 0.322 1.00 23.73 C ATOM 303 CD2 LEU A 330 -18.924 -3.845 1.151 1.00 28.13 C ATOM 304 H LEU A 330 -21.001 -2.573 4.462 1.00 0.00 H ATOM 305 N ASP A 331 -16.925 -1.195 4.475 1.00 22.70 N ATOM 306 CA ASP A 331 -16.059 -0.081 4.887 1.00 19.12 C ATOM 307 C ASP A 331 -16.084 1.010 3.812 1.00 24.40 C ATOM 308 O ASP A 331 -15.610 0.782 2.697 1.00 24.04 O ATOM 309 CB ASP A 331 -14.643 -0.613 5.102 1.00 20.94 C ATOM 310 CG ASP A 331 -13.703 0.401 5.731 1.00 22.53 C ATOM 311 OD1 ASP A 331 -13.983 1.617 5.700 1.00 22.90 O ATOM 312 OD2 ASP A 331 -12.662 -0.061 6.264 1.00 27.22 O ATOM 313 H ASP A 331 -16.488 -2.107 4.230 1.00 0.00 H ATOM 314 N PRO A 332 -16.617 2.201 4.137 1.00 24.33 N ATOM 315 CA PRO A 332 -16.697 3.245 3.108 1.00 25.24 C ATOM 316 C PRO A 332 -15.316 3.692 2.630 1.00 26.18 C ATOM 317 O PRO A 332 -15.181 4.216 1.526 1.00 28.32 O ATOM 318 CB PRO A 332 -17.432 4.390 3.817 1.00 27.96 C ATOM 319 CG PRO A 332 -17.123 4.183 5.257 1.00 25.32 C ATOM 320 CD PRO A 332 -17.067 2.691 5.455 1.00 25.31 C ATOM 321 N ARG A 333 -14.297 3.481 3.460 1.00 26.09 N ATOM 322 CA ARG A 333 -12.936 3.862 3.105 1.00 25.07 C ATOM 323 C ARG A 333 -12.388 2.982 1.992 1.00 24.74 C ATOM 324 O ARG A 333 -11.422 3.362 1.330 1.00 29.12 O ATOM 325 CB ARG A 333 -12.014 3.775 4.324 1.00 26.62 C ATOM 326 CG ARG A 333 -12.420 4.708 5.434 1.00 23.17 C ATOM 327 CD ARG A 333 -11.685 4.397 6.726 1.00 22.17 C ATOM 328 NE ARG A 333 -11.962 3.034 7.155 1.00 20.30 N ATOM 329 CZ ARG A 333 -11.383 2.465 8.210 1.00 26.42 C ATOM 330 NH1 ARG A 333 -11.678 1.222 8.545 1.00 28.53 N ATOM 331 NH2 ARG A 333 -10.499 3.157 8.911 1.00 27.47 N ATOM 332 HE ARG A 333 -12.648 2.475 6.609 1.00 0.00 H ATOM 333 HH12 ARG A 333 -11.222 0.784 9.370 1.00 0.00 H ATOM 334 HH11 ARG A 333 -12.366 0.681 7.983 1.00 0.00 H ATOM 335 HH22 ARG A 333 -10.038 2.726 9.738 1.00 0.00 H ATOM 336 HH21 ARG A 333 -10.265 4.132 8.635 1.00 0.00 H ATOM 337 H ARG A 333 -14.476 3.034 4.382 1.00 0.00 H ATOM 338 N LEU A 334 -13.001 1.811 1.813 1.00 22.91 N ATOM 339 CA LEU A 334 -12.511 0.800 0.881 1.00 22.34 C ATOM 340 C LEU A 334 -13.317 0.748 -0.425 1.00 21.43 C ATOM 341 O LEU A 334 -13.061 -0.122 -1.261 1.00 25.86 O ATOM 342 CB LEU A 334 -12.526 -0.572 1.535 1.00 29.48 C ATOM 343 CG LEU A 334 -11.617 -0.680 2.757 1.00 30.43 C ATOM 344 CD1 LEU A 334 -11.724 -2.061 3.326 1.00 30.00 C ATOM 345 CD2 LEU A 334 -10.184 -0.354 2.369 1.00 33.08 C ATOM 346 H LEU A 334 -13.863 1.610 2.359 1.00 0.00 H ATOM 347 N ALA A 335 -14.278 1.655 -0.585 1.00 23.01 N ATOM 348 CA ALA A 335 -15.123 1.635 -1.797 1.00 24.21 C ATOM 349 C ALA A 335 -14.295 1.766 -3.063 1.00 23.81 C ATOM 350 O ALA A 335 -13.379 2.591 -3.132 1.00 24.69 O ATOM 351 CB ALA A 335 -16.158 2.745 -1.747 1.00 25.83 C ATOM 352 H ALA A 335 -14.434 2.379 0.145 1.00 0.00 H ATOM 353 N LYS A 336 -14.649 0.975 -4.078 1.00 22.63 N ATOM 354 CA LYS A 336 -13.974 1.035 -5.371 1.00 23.64 C ATOM 355 C LYS A 336 -14.967 1.343 -6.489 1.00 25.50 C ATOM 356 O LYS A 336 -16.179 1.267 -6.291 1.00 25.18 O ATOM 357 CB LYS A 336 -13.247 -0.276 -5.658 1.00 26.22 C ATOM 358 CG LYS A 336 -12.161 -0.591 -4.637 1.00 26.94 C ATOM 359 CD LYS A 336 -11.380 -1.827 -5.027 1.00 39.91 C ATOM 360 H LYS A 336 -15.427 0.298 -3.944 1.00 0.00 H ATOM 361 N LYS A 337 -14.448 1.682 -7.667 1.00 29.41 N ATOM 362 CA LYS A 337 -15.318 2.027 -8.781 1.00 29.96 C ATOM 363 C LYS A 337 -16.219 0.851 -9.131 1.00 24.15 C ATOM 364 O LYS A 337 -15.787 -0.304 -9.138 1.00 27.63 O ATOM 365 CB LYS A 337 -14.498 2.450 -10.007 1.00 33.38 C ATOM 366 CG LYS A 337 -13.783 3.785 -9.821 1.00 37.36 C ATOM 367 CD LYS A 337 -13.004 4.209 -11.068 1.00 33.77 C ATOM 368 CE LYS A 337 -12.337 5.561 -10.832 1.00 36.73 C ATOM 369 NZ LYS A 337 -11.589 6.076 -12.026 1.00 43.51 N ATOM 370 HZ1 LYS A 337 -10.842 5.400 -12.283 1.00 0.00 H ATOM 371 HZ2 LYS A 337 -12.247 6.188 -12.824 1.00 0.00 H ATOM 372 HZ3 LYS A 337 -11.162 6.996 -11.796 1.00 0.00 H ATOM 373 H LYS A 337 -13.416 1.700 -7.792 1.00 0.00 H ATOM 374 N ALA A 338 -17.477 1.150 -9.422 1.00 26.43 N ATOM 375 CA ALA A 338 -18.388 0.125 -9.896 1.00 25.06 C ATOM 376 C ALA A 338 -17.954 -0.348 -11.281 1.00 22.60 C ATOM 377 O ALA A 338 -17.357 0.413 -12.048 1.00 27.44 O ATOM 378 CB ALA A 338 -19.811 0.654 -9.941 1.00 32.93 C ATOM 379 H ALA A 338 -17.814 2.127 -9.310 1.00 0.00 H ATOM 380 N LYS A 339 -18.231 -1.613 -11.568 1.00 23.49 N ATOM 381 CA LYS A 339 -18.004 -2.158 -12.911 1.00 27.94 C ATOM 382 C LYS A 339 -19.168 -3.052 -13.274 1.00 22.92 C ATOM 383 O LYS A 339 -19.584 -3.888 -12.466 1.00 23.95 O ATOM 384 CB LYS A 339 -16.700 -2.965 -12.986 1.00 35.03 C ATOM 385 CG LYS A 339 -15.426 -2.142 -12.866 1.00 38.01 C ATOM 386 CD LYS A 339 -14.197 -3.042 -12.777 1.00 43.44 C ATOM 387 CE LYS A 339 -13.489 -3.166 -14.109 1.00 51.58 C ATOM 388 NZ LYS A 339 -14.047 -4.275 -14.922 1.00 60.65 N ATOM 389 HZ1 LYS A 339 -13.937 -5.171 -14.406 1.00 0.00 H ATOM 390 HZ2 LYS A 339 -15.056 -4.098 -15.101 1.00 0.00 H ATOM 391 HZ3 LYS A 339 -13.538 -4.330 -15.827 1.00 0.00 H ATOM 392 H LYS A 339 -18.617 -2.231 -10.826 1.00 0.00 H ATOM 393 N PRO A 340 -19.702 -2.888 -14.492 1.00 23.32 N ATOM 394 CA PRO A 340 -20.645 -3.904 -14.965 1.00 27.70 C ATOM 395 C PRO A 340 -20.065 -5.298 -14.767 1.00 20.59 C ATOM 396 O PRO A 340 -18.886 -5.508 -15.035 1.00 21.25 O ATOM 397 CB PRO A 340 -20.796 -3.570 -16.450 1.00 24.77 C ATOM 398 CG PRO A 340 -20.587 -2.074 -16.489 1.00 24.01 C ATOM 399 CD PRO A 340 -19.486 -1.827 -15.490 1.00 22.97 C ATOM 400 N PRO A 341 -20.886 -6.245 -14.302 1.00 22.28 N ATOM 401 CA PRO A 341 -20.339 -7.556 -13.948 1.00 24.27 C ATOM 402 C PRO A 341 -19.702 -8.257 -15.144 1.00 24.07 C ATOM 403 O PRO A 341 -18.693 -8.932 -14.986 1.00 23.52 O ATOM 404 CB PRO A 341 -21.563 -8.324 -13.414 1.00 23.63 C ATOM 405 CG PRO A 341 -22.768 -7.530 -13.888 1.00 24.58 C ATOM 406 CD PRO A 341 -22.310 -6.110 -13.960 1.00 20.08 C ATOM 407 N GLU A 342 -20.247 -8.059 -16.343 1.00 20.94 N ATOM 408 CA GLU A 342 -19.720 -8.747 -17.502 1.00 21.52 C ATOM 409 C GLU A 342 -18.342 -8.223 -17.915 1.00 23.21 C ATOM 410 O GLU A 342 -17.634 -8.857 -18.692 1.00 26.59 O ATOM 411 CB GLU A 342 -20.706 -8.625 -18.659 1.00 21.85 C ATOM 412 CG GLU A 342 -20.713 -7.249 -19.324 1.00 25.16 C ATOM 413 CD GLU A 342 -21.675 -6.259 -18.687 1.00 24.73 C ATOM 414 OE1 GLU A 342 -22.222 -6.560 -17.601 1.00 24.33 O ATOM 415 OE2 GLU A 342 -21.889 -5.163 -19.286 1.00 24.06 O ATOM 416 H GLU A 342 -21.052 -7.409 -16.446 1.00 0.00 H ATOM 417 N GLU A 343 -17.950 -7.071 -17.374 1.00 22.57 N ATOM 418 CA GLU A 343 -16.670 -6.476 -17.744 1.00 22.56 C ATOM 419 C GLU A 343 -15.553 -6.892 -16.780 1.00 26.85 C ATOM 420 O GLU A 343 -14.408 -6.459 -16.918 1.00 27.41 O ATOM 421 CB GLU A 343 -16.797 -4.941 -17.804 1.00 22.79 C ATOM 422 CG GLU A 343 -17.685 -4.487 -18.957 1.00 23.22 C ATOM 423 CD GLU A 343 -18.056 -3.009 -18.924 1.00 23.53 C ATOM 424 OE1 GLU A 343 -17.495 -2.256 -18.099 1.00 25.54 O ATOM 425 OE2 GLU A 343 -18.911 -2.615 -19.745 1.00 23.88 O ATOM 426 H GLU A 343 -18.561 -6.592 -16.682 1.00 0.00 H ATOM 427 N CYS A 344 -15.879 -7.750 -15.820 1.00 22.90 N ATOM 428 CA CYS A 344 -14.860 -8.252 -14.898 1.00 22.75 C ATOM 429 C CYS A 344 -14.168 -9.468 -15.503 1.00 27.94 C ATOM 430 O CYS A 344 -14.729 -10.149 -16.360 1.00 28.90 O ATOM 431 CB CYS A 344 -15.470 -8.614 -13.546 1.00 24.07 C ATOM 432 SG CYS A 344 -16.167 -7.216 -12.673 1.00 27.39 S ATOM 433 H CYS A 344 -16.865 -8.067 -15.723 1.00 0.00 H ATOM 434 N LYS A 345 -12.935 -9.716 -15.070 1.00 36.72 N ATOM 435 CA LYS A 345 -12.197 -10.895 -15.502 1.00 40.76 C ATOM 436 C LYS A 345 -12.779 -12.134 -14.839 1.00 42.68 C ATOM 437 O LYS A 345 -13.550 -12.029 -13.883 1.00 39.45 O ATOM 438 CB LYS A 345 -10.707 -10.757 -15.179 1.00 40.20 C ATOM 439 H LYS A 345 -12.487 -9.052 -14.407 1.00 0.00 H ATOM 440 N GLU A 346 -12.410 -13.301 -15.359 1.00 46.80 N ATOM 441 CA GLU A 346 -12.981 -14.572 -14.926 1.00 48.71 C ATOM 442 C GLU A 346 -12.893 -14.802 -13.418 1.00 49.38 C ATOM 443 O GLU A 346 -13.880 -15.190 -12.792 1.00 52.93 O ATOM 444 CB GLU A 346 -12.297 -15.728 -15.664 1.00 50.63 C ATOM 445 H GLU A 346 -11.685 -13.308 -16.105 1.00 0.00 H ATOM 446 N ASN A 347 -11.724 -14.564 -12.833 1.00 47.92 N ATOM 447 CA ASN A 347 -11.533 -14.836 -11.407 1.00 51.75 C ATOM 448 C ASN A 347 -11.629 -13.584 -10.528 1.00 54.27 C ATOM 449 O ASN A 347 -11.090 -13.541 -9.422 1.00 53.96 O ATOM 450 CB ASN A 347 -10.186 -15.520 -11.180 1.00 60.53 C ATOM 451 CG ASN A 347 -10.246 -16.555 -10.071 1.00 72.96 C ATOM 452 OD1 ASN A 347 -11.334 -16.925 -9.613 1.00 70.19 O ATOM 453 ND2 ASN A 347 -9.084 -17.040 -9.641 1.00 79.63 N ATOM 454 HD22 ASN A 347 -8.193 -16.699 -10.055 1.00 0.00 H ATOM 455 HD21 ASN A 347 -9.067 -17.760 -8.891 1.00 0.00 H ATOM 456 H ASN A 347 -10.937 -14.181 -13.394 1.00 0.00 H ATOM 457 N GLU A 348 -12.331 -12.576 -11.032 1.00 51.95 N ATOM 458 CA GLU A 348 -12.504 -11.300 -10.348 1.00 46.18 C ATOM 459 C GLU A 348 -13.983 -11.076 -10.051 1.00 41.85 C ATOM 460 O GLU A 348 -14.838 -11.465 -10.848 1.00 45.03 O ATOM 461 CB GLU A 348 -11.936 -10.163 -11.215 1.00 47.07 C ATOM 462 CG GLU A 348 -12.636 -8.802 -11.089 1.00 49.17 C ATOM 463 CD GLU A 348 -12.205 -7.815 -12.177 1.00 49.08 C ATOM 464 OE1 GLU A 348 -11.746 -8.271 -13.244 1.00 48.21 O ATOM 465 OE2 GLU A 348 -12.320 -6.586 -11.968 1.00 49.88 O ATOM 466 H GLU A 348 -12.780 -12.703 -11.961 1.00 0.00 H ATOM 467 N LEU A 349 -14.297 -10.477 -8.902 1.00 30.39 N ATOM 468 CA LEU A 349 -15.675 -10.090 -8.640 1.00 27.62 C ATOM 469 C LEU A 349 -15.789 -8.577 -8.650 1.00 26.93 C ATOM 470 O LEU A 349 -14.819 -7.884 -8.346 1.00 29.29 O ATOM 471 CB LEU A 349 -16.161 -10.660 -7.306 1.00 27.43 C ATOM 472 CG LEU A 349 -16.384 -12.170 -7.247 1.00 27.81 C ATOM 473 CD1 LEU A 349 -16.739 -12.598 -5.837 1.00 29.40 C ATOM 474 CD2 LEU A 349 -17.469 -12.611 -8.225 1.00 33.76 C ATOM 475 H LEU A 349 -13.559 -10.287 -8.195 1.00 0.00 H ATOM 476 N PRO A 350 -16.973 -8.049 -9.005 1.00 25.21 N ATOM 477 CA PRO A 350 -17.097 -6.596 -8.929 1.00 21.45 C ATOM 478 C PRO A 350 -17.018 -6.141 -7.488 1.00 21.11 C ATOM 479 O PRO A 350 -17.296 -6.935 -6.593 1.00 23.62 O ATOM 480 CB PRO A 350 -18.491 -6.315 -9.506 1.00 28.96 C ATOM 481 CG PRO A 350 -18.917 -7.605 -10.171 1.00 27.65 C ATOM 482 CD PRO A 350 -18.240 -8.687 -9.395 1.00 27.15 C ATOM 483 N TYR A 351 -16.654 -4.888 -7.275 1.00 24.05 N ATOM 484 CA TYR A 351 -16.639 -4.368 -5.909 1.00 21.19 C ATOM 485 C TYR A 351 -17.994 -4.549 -5.230 1.00 27.30 C ATOM 486 O TYR A 351 -19.040 -4.336 -5.842 1.00 26.80 O ATOM 487 CB TYR A 351 -16.250 -2.897 -5.898 1.00 22.75 C ATOM 488 CG TYR A 351 -16.535 -2.288 -4.548 1.00 27.30 C ATOM 489 CD1 TYR A 351 -15.711 -2.550 -3.468 1.00 31.02 C ATOM 490 CD2 TYR A 351 -17.658 -1.490 -4.354 1.00 28.71 C ATOM 491 CE1 TYR A 351 -15.989 -2.012 -2.217 1.00 26.53 C ATOM 492 CE2 TYR A 351 -17.948 -0.957 -3.108 1.00 26.89 C ATOM 493 CZ TYR A 351 -17.104 -1.216 -2.055 1.00 26.97 C ATOM 494 OH TYR A 351 -17.400 -0.682 -0.817 1.00 29.89 O ATOM 495 HH TYR A 351 -16.705 -0.955 -0.167 1.00 0.00 H ATOM 496 H TYR A 351 -16.381 -4.278 -8.072 1.00 0.00 H ATOM 497 N GLY A 352 -17.969 -4.934 -3.956 1.00 25.17 N ATOM 498 CA GLY A 352 -19.185 -5.094 -3.179 1.00 23.14 C ATOM 499 C GLY A 352 -19.644 -6.535 -3.062 1.00 24.61 C ATOM 500 O GLY A 352 -20.473 -6.868 -2.212 1.00 26.13 O ATOM 501 H GLY A 352 -17.052 -5.126 -3.504 1.00 0.00 H ATOM 502 N TRP A 353 -19.113 -7.401 -3.922 1.00 23.42 N ATOM 503 CA TRP A 353 -19.462 -8.818 -3.872 1.00 20.93 C ATOM 504 C TRP A 353 -18.502 -9.641 -3.032 1.00 23.66 C ATOM 505 O TRP A 353 -17.297 -9.378 -3.001 1.00 28.22 O ATOM 506 CB TRP A 353 -19.489 -9.415 -5.276 1.00 23.58 C ATOM 507 CG TRP A 353 -20.667 -9.034 -6.116 1.00 23.85 C ATOM 508 CD1 TRP A 353 -20.765 -7.960 -6.957 1.00 26.56 C ATOM 509 CD2 TRP A 353 -21.897 -9.765 -6.255 1.00 22.12 C ATOM 510 NE1 TRP A 353 -21.988 -7.964 -7.591 1.00 24.96 N ATOM 511 CE2 TRP A 353 -22.701 -9.060 -7.180 1.00 22.36 C ATOM 512 CE3 TRP A 353 -22.398 -10.937 -5.684 1.00 22.26 C ATOM 513 CZ2 TRP A 353 -23.980 -9.487 -7.542 1.00 20.72 C ATOM 514 CZ3 TRP A 353 -23.671 -11.364 -6.043 1.00 24.63 C ATOM 515 CH2 TRP A 353 -24.445 -10.641 -6.974 1.00 19.36 C ATOM 516 HE1 TRP A 353 -22.317 -7.250 -8.272 1.00 0.00 H ATOM 517 H TRP A 353 -18.440 -7.064 -4.640 1.00 0.00 H ATOM 518 N GLU A 354 -19.052 -10.681 -2.420 1.00 24.37 N ATOM 519 CA GLU A 354 -18.299 -11.621 -1.607 1.00 26.95 C ATOM 520 C GLU A 354 -18.677 -13.048 -1.993 1.00 29.77 C ATOM 521 O GLU A 354 -19.862 -13.363 -2.155 1.00 27.66 O ATOM 522 CB GLU A 354 -18.571 -11.373 -0.115 1.00 31.20 C ATOM 523 CG GLU A 354 -17.826 -12.305 0.819 1.00 32.46 C ATOM 524 CD GLU A 354 -18.217 -12.133 2.279 1.00 36.66 C ATOM 525 OE1 GLU A 354 -19.030 -11.235 2.594 1.00 31.48 O ATOM 526 OE2 GLU A 354 -17.716 -12.915 3.113 1.00 42.83 O ATOM 527 H GLU A 354 -20.075 -10.832 -2.527 1.00 0.00 H ATOM 528 N LYS A 355 -17.673 -13.907 -2.151 1.00 27.05 N ATOM 529 CA LYS A 355 -17.914 -15.328 -2.378 1.00 26.84 C ATOM 530 C LYS A 355 -17.906 -16.042 -1.037 1.00 30.18 C ATOM 531 O LYS A 355 -16.978 -15.874 -0.261 1.00 33.10 O ATOM 532 CB LYS A 355 -16.853 -15.928 -3.307 1.00 30.70 C ATOM 533 CG LYS A 355 -17.017 -17.415 -3.601 1.00 35.58 C ATOM 534 CD LYS A 355 -15.942 -17.895 -4.578 1.00 38.61 C ATOM 535 CE LYS A 355 -16.036 -19.386 -4.836 1.00 46.78 C ATOM 536 NZ LYS A 355 -15.022 -19.872 -5.822 1.00 44.89 N ATOM 537 HZ1 LYS A 355 -15.161 -19.384 -6.730 1.00 0.00 H ATOM 538 HZ2 LYS A 355 -14.067 -19.672 -5.462 1.00 0.00 H ATOM 539 HZ3 LYS A 355 -15.135 -20.897 -5.957 1.00 0.00 H ATOM 540 H LYS A 355 -16.694 -13.557 -2.112 1.00 0.00 H ATOM 541 N ILE A 356 -18.948 -16.813 -0.762 1.00 28.15 N ATOM 542 CA ILE A 356 -19.023 -17.545 0.504 1.00 29.07 C ATOM 543 C ILE A 356 -19.001 -19.039 0.242 1.00 33.42 C ATOM 544 O ILE A 356 -19.764 -19.548 -0.584 1.00 36.77 O ATOM 545 CB ILE A 356 -20.288 -17.187 1.295 1.00 30.35 C ATOM 546 CG1 ILE A 356 -20.242 -15.722 1.731 1.00 36.12 C ATOM 547 CG2 ILE A 356 -20.433 -18.109 2.511 1.00 33.38 C ATOM 548 CD1 ILE A 356 -21.312 -15.348 2.719 1.00 47.10 C ATOM 549 H ILE A 356 -19.721 -16.899 -1.453 1.00 0.00 H ATOM 550 N ASP A 357 -18.115 -19.752 0.927 1.00 40.29 N ATOM 551 CA ASP A 357 -18.125 -21.202 0.818 1.00 47.17 C ATOM 552 C ASP A 357 -18.664 -21.777 2.113 1.00 48.76 C ATOM 553 O ASP A 357 -17.949 -21.873 3.109 1.00 51.19 O ATOM 554 CB ASP A 357 -16.737 -21.756 0.514 1.00 50.48 C ATOM 555 CG ASP A 357 -16.790 -23.174 -0.019 1.00 62.17 C ATOM 556 OD1 ASP A 357 -16.872 -24.114 0.798 1.00 61.59 O ATOM 557 OD2 ASP A 357 -16.769 -23.349 -1.258 1.00 70.31 O ATOM 558 H ASP A 357 -17.419 -19.277 1.537 1.00 0.00 H ATOM 559 N ASP A 358 -19.943 -22.130 2.089 1.00 49.18 N ATOM 560 CA ASP A 358 -20.630 -22.652 3.258 1.00 56.26 C ATOM 561 C ASP A 358 -20.486 -24.170 3.308 1.00 54.94 C ATOM 562 O ASP A 358 -20.799 -24.855 2.335 1.00 53.29 O ATOM 563 CB ASP A 358 -22.107 -22.249 3.223 1.00 56.95 C ATOM 564 CG ASP A 358 -22.803 -22.464 4.546 1.00 60.95 C ATOM 565 OD1 ASP A 358 -22.933 -23.632 4.968 1.00 57.62 O ATOM 566 OD2 ASP A 358 -23.236 -21.462 5.155 1.00 63.83 O ATOM 567 H ASP A 358 -20.473 -22.029 1.200 1.00 0.00 H ATOM 568 N PRO A 359 -20.000 -24.699 4.444 1.00 62.83 N ATOM 569 CA PRO A 359 -19.830 -26.147 4.610 1.00 62.47 C ATOM 570 C PRO A 359 -21.135 -26.914 4.415 1.00 62.73 C ATOM 571 O PRO A 359 -21.121 -28.027 3.891 1.00 65.79 O ATOM 572 CB PRO A 359 -19.333 -26.278 6.053 1.00 60.46 C ATOM 573 CG PRO A 359 -18.706 -24.972 6.357 1.00 55.82 C ATOM 574 CD PRO A 359 -19.523 -23.952 5.619 1.00 56.84 C ATOM 575 N ILE A 360 -22.249 -26.317 4.827 1.00 61.96 N ATOM 576 CA ILE A 360 -23.542 -26.986 4.754 1.00 63.64 C ATOM 577 C ILE A 360 -24.354 -26.583 3.521 1.00 65.44 C ATOM 578 O ILE A 360 -25.084 -27.398 2.958 1.00 59.67 O ATOM 579 CB ILE A 360 -24.385 -26.703 6.016 1.00 61.60 C ATOM 580 H ILE A 360 -22.197 -25.351 5.210 1.00 0.00 H ATOM 581 N TYR A 361 -24.227 -25.330 3.095 1.00 68.56 N ATOM 582 CA TYR A 361 -25.087 -24.820 2.030 1.00 64.10 C ATOM 583 C TYR A 361 -24.340 -24.609 0.716 1.00 58.59 C ATOM 584 O TYR A 361 -24.942 -24.278 -0.301 1.00 55.93 O ATOM 585 CB TYR A 361 -25.755 -23.522 2.483 1.00 65.87 C ATOM 586 CG TYR A 361 -26.519 -23.692 3.778 1.00 67.80 C ATOM 587 CD1 TYR A 361 -27.800 -24.229 3.786 1.00 68.65 C ATOM 588 CD2 TYR A 361 -25.950 -23.342 4.994 1.00 67.88 C ATOM 589 CE1 TYR A 361 -28.496 -24.399 4.968 1.00 71.76 C ATOM 590 CE2 TYR A 361 -26.635 -23.510 6.181 1.00 72.04 C ATOM 591 CZ TYR A 361 -27.910 -24.038 6.162 1.00 74.13 C ATOM 592 OH TYR A 361 -28.604 -24.206 7.339 1.00 78.09 O ATOM 593 HH TYR A 361 -29.494 -24.593 7.144 1.00 0.00 H ATOM 594 H TYR A 361 -23.511 -24.709 3.523 1.00 0.00 H ATOM 595 N GLY A 362 -23.030 -24.823 0.738 1.00 54.85 N ATOM 596 CA GLY A 362 -22.234 -24.749 -0.471 1.00 46.67 C ATOM 597 C GLY A 362 -21.825 -23.327 -0.806 1.00 40.41 C ATOM 598 O GLY A 362 -21.983 -22.410 0.003 1.00 40.28 O ATOM 599 H GLY A 362 -22.566 -25.048 1.641 1.00 0.00 H ATOM 600 N THR A 363 -21.293 -23.156 -2.012 1.00 42.23 N ATOM 601 CA THR A 363 -20.824 -21.859 -2.485 1.00 38.53 C ATOM 602 C THR A 363 -21.988 -20.974 -2.932 1.00 31.64 C ATOM 603 O THR A 363 -22.904 -21.443 -3.604 1.00 32.01 O ATOM 604 CB THR A 363 -19.840 -22.027 -3.669 1.00 49.46 C ATOM 605 OG1 THR A 363 -18.751 -22.873 -3.276 1.00 54.35 O ATOM 606 CG2 THR A 363 -19.296 -20.681 -4.129 1.00 44.44 C ATOM 607 HG1 THR A 363 -18.276 -22.464 -2.510 1.00 0.00 H ATOM 608 H THR A 363 -21.208 -23.979 -2.642 1.00 0.00 H ATOM 609 N TYR A 364 -21.959 -19.700 -2.546 1.00 28.51 N ATOM 610 CA TYR A 364 -22.885 -18.729 -3.114 1.00 30.89 C ATOM 611 C TYR A 364 -22.271 -17.345 -3.072 1.00 30.89 C ATOM 612 O TYR A 364 -21.168 -17.158 -2.558 1.00 27.15 O ATOM 613 CB TYR A 364 -24.237 -18.758 -2.395 1.00 29.33 C ATOM 614 CG TYR A 364 -24.207 -18.400 -0.930 1.00 29.89 C ATOM 615 CD1 TYR A 364 -23.907 -19.354 0.033 1.00 31.46 C ATOM 616 CD2 TYR A 364 -24.529 -17.119 -0.513 1.00 27.08 C ATOM 617 CE1 TYR A 364 -23.899 -19.017 1.388 1.00 34.08 C ATOM 618 CE2 TYR A 364 -24.527 -16.777 0.828 1.00 32.16 C ATOM 619 CZ TYR A 364 -24.214 -17.726 1.768 1.00 35.00 C ATOM 620 OH TYR A 364 -24.217 -17.380 3.102 1.00 35.11 O ATOM 621 HH TYR A 364 -23.972 -18.169 3.647 1.00 0.00 H ATOM 622 H TYR A 364 -21.268 -19.395 -1.831 1.00 0.00 H ATOM 623 N TYR A 365 -22.968 -16.371 -3.652 1.00 24.37 N ATOM 624 CA TYR A 365 -22.397 -15.051 -3.811 1.00 21.63 C ATOM 625 C TYR A 365 -23.273 -14.038 -3.128 1.00 24.41 C ATOM 626 O TYR A 365 -24.496 -14.133 -3.176 1.00 25.78 O ATOM 627 CB TYR A 365 -22.223 -14.732 -5.312 1.00 20.47 C ATOM 628 CG TYR A 365 -21.209 -15.659 -5.918 1.00 20.38 C ATOM 629 CD1 TYR A 365 -21.575 -16.931 -6.352 1.00 21.16 C ATOM 630 CD2 TYR A 365 -19.875 -15.293 -6.012 1.00 24.43 C ATOM 631 CE1 TYR A 365 -20.630 -17.826 -6.866 1.00 24.02 C ATOM 632 CE2 TYR A 365 -18.934 -16.164 -6.553 1.00 25.75 C ATOM 633 CZ TYR A 365 -19.317 -17.422 -6.973 1.00 28.91 C ATOM 634 OH TYR A 365 -18.380 -18.288 -7.495 1.00 34.18 O ATOM 635 HH TYR A 365 -18.821 -19.139 -7.744 1.00 0.00 H ATOM 636 H TYR A 365 -23.932 -16.560 -3.994 1.00 0.00 H ATOM 637 N VAL A 366 -22.630 -13.070 -2.483 1.00 22.36 N ATOM 638 CA VAL A 366 -23.326 -12.055 -1.702 1.00 23.89 C ATOM 639 C VAL A 366 -23.007 -10.669 -2.241 1.00 21.99 C ATOM 640 O VAL A 366 -21.840 -10.306 -2.383 1.00 23.64 O ATOM 641 CB VAL A 366 -22.927 -12.134 -0.216 1.00 24.12 C ATOM 642 CG1 VAL A 366 -23.575 -11.009 0.560 1.00 23.86 C ATOM 643 CG2 VAL A 366 -23.283 -13.511 0.374 1.00 23.83 C ATOM 644 H VAL A 366 -21.592 -13.035 -2.538 1.00 0.00 H ATOM 645 N ASP A 367 -24.047 -9.897 -2.547 1.00 20.76 N ATOM 646 CA ASP A 367 -23.891 -8.541 -3.044 1.00 19.54 C ATOM 647 C ASP A 367 -24.198 -7.608 -1.890 1.00 23.23 C ATOM 648 O ASP A 367 -25.353 -7.460 -1.515 1.00 24.48 O ATOM 649 CB ASP A 367 -24.831 -8.288 -4.239 1.00 23.27 C ATOM 650 CG ASP A 367 -24.812 -6.842 -4.739 1.00 31.07 C ATOM 651 OD1 ASP A 367 -24.162 -5.968 -4.125 1.00 23.73 O ATOM 652 OD2 ASP A 367 -25.475 -6.569 -5.767 1.00 28.17 O ATOM 653 H ASP A 367 -25.007 -10.279 -2.426 1.00 0.00 H ATOM 654 N HIS A 368 -23.166 -6.973 -1.343 1.00 20.57 N ATOM 655 CA HIS A 368 -23.353 -6.111 -0.174 1.00 20.08 C ATOM 656 C HIS A 368 -23.859 -4.715 -0.505 1.00 25.22 C ATOM 657 O HIS A 368 -24.291 -3.987 0.391 1.00 23.26 O ATOM 658 CB HIS A 368 -22.048 -6.007 0.619 1.00 22.13 C ATOM 659 CG HIS A 368 -21.676 -7.270 1.335 1.00 21.32 C ATOM 660 ND1 HIS A 368 -22.361 -7.725 2.442 1.00 22.19 N ATOM 661 CD2 HIS A 368 -20.718 -8.193 1.081 1.00 23.87 C ATOM 662 CE1 HIS A 368 -21.826 -8.862 2.853 1.00 26.60 C ATOM 663 NE2 HIS A 368 -20.827 -9.169 2.045 1.00 25.08 N ATOM 664 H HIS A 368 -22.216 -7.090 -1.750 1.00 0.00 H ATOM 665 N ILE A 369 -23.802 -4.328 -1.778 1.00 22.77 N ATOM 666 CA ILE A 369 -24.349 -3.048 -2.204 1.00 22.45 C ATOM 667 C ILE A 369 -25.870 -3.109 -2.222 1.00 21.90 C ATOM 668 O ILE A 369 -26.547 -2.268 -1.613 1.00 27.75 O ATOM 669 CB ILE A 369 -23.814 -2.659 -3.598 1.00 20.65 C ATOM 670 CG1 ILE A 369 -22.309 -2.366 -3.525 1.00 27.92 C ATOM 671 CG2 ILE A 369 -24.572 -1.463 -4.167 1.00 24.07 C ATOM 672 CD1 ILE A 369 -21.963 -1.038 -2.876 1.00 32.13 C ATOM 673 H ILE A 369 -23.358 -4.952 -2.481 1.00 0.00 H ATOM 674 N ASN A 370 -26.398 -4.132 -2.895 1.00 24.43 N ATOM 675 CA ASN A 370 -27.838 -4.307 -3.037 1.00 23.11 C ATOM 676 C ASN A 370 -28.463 -5.296 -2.052 1.00 26.80 C ATOM 677 O ASN A 370 -29.687 -5.452 -2.030 1.00 28.15 O ATOM 678 CB ASN A 370 -28.164 -4.741 -4.471 1.00 24.06 C ATOM 679 CG ASN A 370 -27.862 -3.656 -5.481 1.00 26.17 C ATOM 680 OD1 ASN A 370 -28.081 -2.479 -5.221 1.00 32.33 O ATOM 681 ND2 ASN A 370 -27.345 -4.046 -6.632 1.00 32.08 N ATOM 682 HD22 ASN A 370 -27.176 -5.057 -6.810 1.00 0.00 H ATOM 683 HD21 ASN A 370 -27.107 -3.343 -7.360 1.00 0.00 H ATOM 684 H ASN A 370 -25.761 -4.828 -3.333 1.00 0.00 H ATOM 685 N ARG A 371 -27.622 -5.934 -1.233 1.00 23.24 N ATOM 686 CA ARG A 371 -28.048 -6.883 -0.195 1.00 20.93 C ATOM 687 C ARG A 371 -28.823 -8.054 -0.793 1.00 27.91 C ATOM 688 O ARG A 371 -29.966 -8.327 -0.417 1.00 30.51 O ATOM 689 CB ARG A 371 -28.870 -6.170 0.885 1.00 23.23 C ATOM 690 CG ARG A 371 -28.089 -5.053 1.571 1.00 24.08 C ATOM 691 CD ARG A 371 -28.840 -4.424 2.739 1.00 24.35 C ATOM 692 NE ARG A 371 -28.119 -3.243 3.221 1.00 25.33 N ATOM 693 CZ ARG A 371 -27.846 -2.991 4.497 1.00 27.99 C ATOM 694 NH1 ARG A 371 -28.241 -3.837 5.447 1.00 31.71 N ATOM 695 NH2 ARG A 371 -27.179 -1.888 4.823 1.00 27.42 N ATOM 696 HE ARG A 371 -27.798 -2.552 2.513 1.00 0.00 H ATOM 697 HH12 ARG A 371 -28.025 -3.636 6.444 1.00 0.00 H ATOM 698 HH11 ARG A 371 -28.765 -4.698 5.191 1.00 0.00 H ATOM 699 HH22 ARG A 371 -26.963 -1.686 5.820 1.00 0.00 H ATOM 700 HH21 ARG A 371 -26.873 -1.227 4.081 1.00 0.00 H ATOM 701 H ARG A 371 -26.604 -5.748 -1.336 1.00 0.00 H ATOM 702 N ARG A 372 -28.169 -8.743 -1.723 1.00 29.75 N ATOM 703 CA ARG A 372 -28.738 -9.892 -2.417 1.00 28.51 C ATOM 704 C ARG A 372 -27.836 -11.103 -2.231 1.00 27.80 C ATOM 705 O ARG A 372 -26.648 -10.963 -1.981 1.00 26.09 O ATOM 706 CB ARG A 372 -28.902 -9.597 -3.917 1.00 28.69 C ATOM 707 CG ARG A 372 -29.780 -8.404 -4.260 1.00 30.92 C ATOM 708 CD ARG A 372 -31.219 -8.654 -3.841 1.00 37.52 C ATOM 709 NE ARG A 372 -31.790 -9.780 -4.576 1.00 40.65 N ATOM 710 CZ ARG A 372 -32.423 -9.671 -5.739 1.00 43.00 C ATOM 711 NH1 ARG A 372 -32.578 -8.480 -6.303 1.00 38.11 N ATOM 712 NH2 ARG A 372 -32.903 -10.754 -6.336 1.00 44.18 N ATOM 713 HE ARG A 372 -31.695 -10.729 -4.162 1.00 0.00 H ATOM 714 HH12 ARG A 372 -33.074 -8.396 -7.213 1.00 0.00 H ATOM 715 HH11 ARG A 372 -32.204 -7.630 -5.835 1.00 0.00 H ATOM 716 HH22 ARG A 372 -33.399 -10.669 -7.246 1.00 0.00 H ATOM 717 HH21 ARG A 372 -32.784 -11.688 -5.894 1.00 0.00 H ATOM 718 H ARG A 372 -27.202 -8.447 -1.968 1.00 0.00 H ATOM 719 N THR A 373 -28.392 -12.301 -2.355 1.00 29.60 N ATOM 720 CA THR A 373 -27.561 -13.497 -2.401 1.00 24.61 C ATOM 721 C THR A 373 -28.032 -14.330 -3.578 1.00 26.79 C ATOM 722 O THR A 373 -29.211 -14.318 -3.909 1.00 27.93 O ATOM 723 CB THR A 373 -27.627 -14.337 -1.097 1.00 31.26 C ATOM 724 OG1 THR A 373 -28.964 -14.799 -0.888 1.00 31.38 O ATOM 725 CG2 THR A 373 -27.175 -13.515 0.125 1.00 27.98 C ATOM 726 HG1 THR A 373 -29.001 -15.334 -0.056 1.00 0.00 H ATOM 727 H THR A 373 -29.426 -12.387 -2.420 1.00 0.00 H ATOM 728 N GLN A 374 -27.105 -15.037 -4.211 1.00 25.14 N ATOM 729 CA GLN A 374 -27.448 -15.868 -5.367 1.00 22.85 C ATOM 730 C GLN A 374 -26.446 -16.990 -5.528 1.00 23.81 C ATOM 731 O GLN A 374 -25.305 -16.879 -5.099 1.00 25.04 O ATOM 732 CB GLN A 374 -27.502 -15.021 -6.644 1.00 23.61 C ATOM 733 CG GLN A 374 -26.187 -14.374 -7.049 1.00 24.86 C ATOM 734 CD GLN A 374 -26.361 -13.504 -8.282 1.00 23.37 C ATOM 735 OE1 GLN A 374 -27.113 -12.521 -8.262 1.00 25.21 O ATOM 736 NE2 GLN A 374 -25.688 -13.872 -9.368 1.00 25.61 N ATOM 737 HE22 GLN A 374 -25.067 -14.706 -9.337 1.00 0.00 H ATOM 738 HE21 GLN A 374 -25.782 -13.326 -10.248 1.00 0.00 H ATOM 739 H GLN A 374 -26.119 -15.001 -3.881 1.00 0.00 H ATOM 740 N PHE A 375 -26.867 -18.065 -6.189 1.00 26.52 N ATOM 741 CA PHE A 375 -25.990 -19.196 -6.426 1.00 31.30 C ATOM 742 C PHE A 375 -24.990 -18.932 -7.557 1.00 28.08 C ATOM 743 O PHE A 375 -23.820 -19.286 -7.459 1.00 27.42 O ATOM 744 CB PHE A 375 -26.813 -20.448 -6.753 1.00 27.95 C ATOM 745 CG PHE A 375 -27.536 -21.033 -5.570 1.00 33.08 C ATOM 746 CD1 PHE A 375 -26.835 -21.445 -4.462 1.00 30.28 C ATOM 747 CD2 PHE A 375 -28.914 -21.189 -5.586 1.00 40.25 C ATOM 748 CE1 PHE A 375 -27.499 -22.002 -3.357 1.00 37.11 C ATOM 749 CE2 PHE A 375 -29.582 -21.739 -4.499 1.00 41.60 C ATOM 750 CZ PHE A 375 -28.876 -22.143 -3.389 1.00 34.97 C ATOM 751 H PHE A 375 -27.844 -18.095 -6.543 1.00 0.00 H ATOM 752 N GLU A 376 -25.447 -18.325 -8.645 1.00 25.69 N ATOM 753 CA GLU A 376 -24.567 -18.147 -9.781 1.00 23.25 C ATOM 754 C GLU A 376 -23.533 -17.059 -9.561 1.00 25.53 C ATOM 755 O GLU A 376 -23.846 -15.989 -9.040 1.00 25.60 O ATOM 756 CB GLU A 376 -25.376 -17.827 -11.039 1.00 25.73 C ATOM 757 CG GLU A 376 -24.553 -17.976 -12.308 1.00 23.47 C ATOM 758 CD GLU A 376 -25.382 -17.857 -13.574 1.00 26.19 C ATOM 759 OE1 GLU A 376 -26.610 -17.663 -13.465 1.00 25.69 O ATOM 760 OE2 GLU A 376 -24.794 -17.972 -14.672 1.00 23.65 O ATOM 761 H GLU A 376 -26.428 -17.981 -8.681 1.00 0.00 H ATOM 762 N ASN A 377 -22.300 -17.335 -9.976 1.00 23.71 N ATOM 763 CA ASN A 377 -21.268 -16.305 -9.995 1.00 22.66 C ATOM 764 C ASN A 377 -21.772 -15.152 -10.861 1.00 26.64 C ATOM 765 O ASN A 377 -22.118 -15.377 -12.018 1.00 24.45 O ATOM 766 CB ASN A 377 -19.956 -16.882 -10.543 1.00 24.04 C ATOM 767 CG ASN A 377 -18.835 -15.849 -10.612 1.00 23.55 C ATOM 768 OD1 ASN A 377 -18.989 -14.794 -11.214 1.00 28.32 O ATOM 769 ND2 ASN A 377 -17.699 -16.158 -9.985 1.00 28.87 N ATOM 770 HD22 ASN A 377 -17.611 -17.066 -9.485 1.00 0.00 H ATOM 771 HD21 ASN A 377 -16.901 -15.491 -9.996 1.00 0.00 H ATOM 772 H ASN A 377 -22.069 -18.299 -10.291 1.00 0.00 H ATOM 773 N PRO A 378 -21.818 -13.925 -10.314 1.00 20.62 N ATOM 774 CA PRO A 378 -22.483 -12.828 -11.035 1.00 20.82 C ATOM 775 C PRO A 378 -21.777 -12.418 -12.324 1.00 22.30 C ATOM 776 O PRO A 378 -22.432 -11.937 -13.257 1.00 20.78 O ATOM 777 CB PRO A 378 -22.470 -11.686 -10.011 1.00 24.36 C ATOM 778 CG PRO A 378 -21.317 -11.993 -9.130 1.00 23.62 C ATOM 779 CD PRO A 378 -21.320 -13.483 -8.994 1.00 20.73 C ATOM 780 N VAL A 379 -20.462 -12.598 -12.371 1.00 21.95 N ATOM 781 CA VAL A 379 -19.679 -12.265 -13.554 1.00 20.59 C ATOM 782 C VAL A 379 -19.971 -13.288 -14.633 1.00 22.50 C ATOM 783 O VAL A 379 -20.204 -12.944 -15.792 1.00 23.89 O ATOM 784 CB VAL A 379 -18.169 -12.231 -13.244 1.00 24.80 C ATOM 785 CG1 VAL A 379 -17.339 -12.069 -14.510 1.00 25.92 C ATOM 786 CG2 VAL A 379 -17.864 -11.097 -12.238 1.00 21.60 C ATOM 787 H VAL A 379 -19.976 -12.988 -11.538 1.00 0.00 H ATOM 788 N LEU A 380 -19.963 -14.559 -14.241 1.00 23.40 N ATOM 789 CA LEU A 380 -20.303 -15.624 -15.175 1.00 24.93 C ATOM 790 C LEU A 380 -21.738 -15.469 -15.658 1.00 23.57 C ATOM 791 O LEU A 380 -22.030 -15.683 -16.841 1.00 25.92 O ATOM 792 CB LEU A 380 -20.100 -16.998 -14.523 1.00 25.98 C ATOM 793 CG LEU A 380 -18.658 -17.319 -14.136 1.00 28.97 C ATOM 794 CD1 LEU A 380 -18.523 -18.748 -13.650 1.00 26.07 C ATOM 795 CD2 LEU A 380 -17.703 -17.042 -15.279 1.00 30.89 C ATOM 796 H LEU A 380 -19.712 -14.794 -13.260 1.00 0.00 H ATOM 797 N GLU A 381 -22.632 -15.090 -14.746 1.00 22.94 N ATOM 798 CA GLU A 381 -24.038 -14.920 -15.099 1.00 22.30 C ATOM 799 C GLU A 381 -24.234 -13.837 -16.146 1.00 24.12 C ATOM 800 O GLU A 381 -24.934 -14.033 -17.140 1.00 24.27 O ATOM 801 CB GLU A 381 -24.872 -14.575 -13.870 1.00 23.66 C ATOM 802 CG GLU A 381 -26.316 -14.296 -14.226 1.00 29.81 C ATOM 803 CD GLU A 381 -27.124 -13.801 -13.048 1.00 34.97 C ATOM 804 OE1 GLU A 381 -26.524 -13.233 -12.105 1.00 35.31 O ATOM 805 OE2 GLU A 381 -28.360 -13.983 -13.076 1.00 35.62 O ATOM 806 H GLU A 381 -22.324 -14.913 -13.769 1.00 0.00 H ATOM 807 N ALA A 382 -23.591 -12.698 -15.927 1.00 21.26 N ATOM 808 CA ALA A 382 -23.706 -11.580 -16.852 1.00 22.11 C ATOM 809 C ALA A 382 -23.175 -11.949 -18.231 1.00 26.56 C ATOM 810 O ALA A 382 -23.822 -11.696 -19.242 1.00 25.55 O ATOM 811 CB ALA A 382 -22.967 -10.369 -16.303 1.00 20.88 C ATOM 812 H ALA A 382 -22.995 -12.602 -15.080 1.00 0.00 H ATOM 813 N LYS A 383 -21.994 -12.555 -18.266 1.00 22.07 N ATOM 814 CA LYS A 383 -21.411 -12.985 -19.533 1.00 22.78 C ATOM 815 C LYS A 383 -22.313 -13.988 -20.228 1.00 26.26 C ATOM 816 O LYS A 383 -22.513 -13.907 -21.441 1.00 30.36 O ATOM 817 CB LYS A 383 -20.021 -13.577 -19.311 1.00 29.44 C ATOM 818 CG LYS A 383 -19.011 -12.516 -18.887 1.00 26.40 C ATOM 819 CD LYS A 383 -17.702 -13.099 -18.420 1.00 30.58 C ATOM 820 CE LYS A 383 -16.694 -11.969 -18.211 1.00 36.22 C ATOM 821 NZ LYS A 383 -15.356 -12.468 -17.824 1.00 42.02 N ATOM 822 HZ1 LYS A 383 -15.430 -13.001 -16.934 1.00 0.00 H ATOM 823 HZ2 LYS A 383 -14.990 -13.090 -18.572 1.00 0.00 H ATOM 824 HZ3 LYS A 383 -14.711 -11.662 -17.695 1.00 0.00 H ATOM 825 H LYS A 383 -21.478 -12.725 -17.379 1.00 0.00 H ATOM 826 N ARG A 384 -22.861 -14.921 -19.458 1.00 26.59 N ATOM 827 CA ARG A 384 -23.768 -15.931 -19.997 1.00 27.55 C ATOM 828 C ARG A 384 -25.001 -15.321 -20.655 1.00 31.21 C ATOM 829 O ARG A 384 -25.359 -15.683 -21.781 1.00 32.73 O ATOM 830 CB ARG A 384 -24.199 -16.893 -18.880 1.00 28.64 C ATOM 831 CG ARG A 384 -25.150 -17.979 -19.340 1.00 30.09 C ATOM 832 CD ARG A 384 -25.397 -19.004 -18.237 1.00 25.25 C ATOM 833 NE ARG A 384 -26.156 -18.468 -17.116 1.00 24.52 N ATOM 834 CZ ARG A 384 -27.477 -18.309 -17.107 1.00 24.62 C ATOM 835 NH1 ARG A 384 -28.205 -18.603 -18.192 1.00 25.19 N ATOM 836 NH2 ARG A 384 -28.068 -17.834 -16.009 1.00 24.24 N ATOM 837 HE ARG A 384 -25.629 -18.190 -16.263 1.00 0.00 H ATOM 838 HH12 ARG A 384 -29.237 -18.476 -18.176 1.00 0.00 H ATOM 839 HH11 ARG A 384 -27.738 -18.959 -19.051 1.00 0.00 H ATOM 840 HH22 ARG A 384 -29.100 -17.705 -15.988 1.00 0.00 H ATOM 841 HH21 ARG A 384 -27.497 -17.593 -15.174 1.00 0.00 H ATOM 842 H ARG A 384 -22.638 -14.933 -18.442 1.00 0.00 H ATOM 843 N LYS A 385 -25.639 -14.386 -19.962 1.00 32.00 N ATOM 844 CA LYS A 385 -26.891 -13.815 -20.448 1.00 32.52 C ATOM 845 C LYS A 385 -26.678 -12.857 -21.617 1.00 35.51 C ATOM 846 O LYS A 385 -27.575 -12.670 -22.442 1.00 43.97 O ATOM 847 CB LYS A 385 -27.632 -13.119 -19.301 1.00 35.30 C ATOM 848 CG LYS A 385 -28.262 -14.114 -18.328 1.00 35.93 C ATOM 849 CD LYS A 385 -29.140 -13.447 -17.285 1.00 40.74 C ATOM 850 CE LYS A 385 -29.716 -14.493 -16.336 1.00 47.14 C ATOM 851 NZ LYS A 385 -30.397 -13.898 -15.151 1.00 49.33 N ATOM 852 HZ1 LYS A 385 -29.716 -13.325 -14.613 1.00 0.00 H ATOM 853 HZ2 LYS A 385 -31.182 -13.296 -15.470 1.00 0.00 H ATOM 854 HZ3 LYS A 385 -30.766 -14.659 -14.546 1.00 0.00 H ATOM 855 H LYS A 385 -25.241 -14.056 -19.060 1.00 0.00 H ATOM 856 N LEU A 386 -25.483 -12.281 -21.718 1.00 29.18 N ATOM 857 CA LEU A 386 -25.174 -11.380 -22.822 1.00 29.67 C ATOM 858 C LEU A 386 -24.556 -12.115 -24.016 1.00 41.84 C ATOM 859 O LEU A 386 -24.606 -11.618 -25.145 1.00 45.36 O ATOM 860 CB LEU A 386 -24.237 -10.273 -22.359 1.00 29.07 C ATOM 861 CG LEU A 386 -24.779 -9.375 -21.246 1.00 28.80 C ATOM 862 CD1 LEU A 386 -23.687 -8.470 -20.727 1.00 27.64 C ATOM 863 CD2 LEU A 386 -25.956 -8.552 -21.725 1.00 28.45 C ATOM 864 H LEU A 386 -24.758 -12.476 -20.998 1.00 0.00 H ATOM 865 N GLN A 387 -23.973 -13.287 -23.762 1.00 40.29 N ATOM 866 CA GLN A 387 -23.283 -14.059 -24.798 1.00 48.16 C ATOM 867 C GLN A 387 -24.198 -14.396 -25.961 1.00 46.16 C ATOM 868 O GLN A 387 -23.738 -14.913 -26.974 1.00 56.31 O ATOM 869 CB GLN A 387 -22.705 -15.354 -24.219 1.00 45.71 C ATOM 870 H GLN A 387 -24.009 -13.666 -22.794 1.00 0.00 H TER 871 GLN A 387 HETATM 872 O HOH 1 -24.033 8.603 4.010 1.00 39.96 O HETATM 873 O HOH 2 -15.082 -14.587 -10.704 1.00 46.16 O HETATM 874 O HOH 3 -15.866 -1.328 1.029 1.00 28.96 O HETATM 875 O HOH 4 -13.466 -1.223 -9.323 1.00 37.69 O HETATM 876 O HOH 5 -31.405 -4.879 -3.788 1.00 40.12 O HETATM 877 O HOH 6 -19.984 -4.485 -21.094 1.00 25.55 O HETATM 878 O HOH 7 -21.031 -4.654 -10.435 1.00 32.24 O HETATM 879 O HOH 8 -29.090 -11.286 -7.064 1.00 37.09 O HETATM 880 O HOH 9 -27.717 -0.138 -6.408 1.00 37.15 O HETATM 881 O HOH 10 -15.241 -18.380 -8.009 1.00 45.14 O HETATM 882 O HOH 11 -10.617 -4.488 13.351 1.00 30.10 O HETATM 883 O HOH 12 -16.493 -18.805 2.828 1.00 52.61 O HETATM 884 O HOH 13 -15.559 -1.608 -16.372 1.00 30.37 O HETATM 885 O HOH 14 -17.194 -7.699 8.950 1.00 41.78 O HETATM 886 O HOH 15 -15.567 -8.015 -4.531 1.00 43.44 O HETATM 887 O HOH 16 -12.111 -2.578 7.064 1.00 34.43 O HETATM 888 O HOH 17 -23.142 -21.666 -6.284 1.00 39.04 O HETATM 889 O HOH 18 -24.553 -2.282 2.471 1.00 25.76 O HETATM 890 O HOH 19 -19.765 -5.400 20.623 1.00 42.30 O HETATM 891 O HOH 20 -25.682 1.803 5.211 1.00 32.51 O HETATM 892 O HOH 21 -16.750 -5.450 7.296 1.00 38.76 O HETATM 893 O HOH 22 -2.258 3.703 11.709 1.00 30.68 O HETATM 894 O HOH 23 -21.848 -3.520 18.273 1.00 31.41 O HETATM 895 O HOH 24 -28.872 -17.168 -12.002 1.00 40.25 O HETATM 896 O HOH 25 -15.734 -5.915 -2.697 1.00 37.98 O HETATM 897 O HOH 26 -15.983 -3.315 -9.428 1.00 28.02 O HETATM 898 O HOH 27 -16.505 0.547 -14.669 1.00 36.08 O HETATM 899 O HOH 28 -31.153 -12.152 -2.339 1.00 36.66 O HETATM 900 O HOH 29 -12.597 4.566 -1.335 1.00 43.58 O HETATM 901 O HOH 30 -20.486 -17.302 -18.504 1.00 31.92 O HETATM 902 O HOH 31 -29.143 0.026 8.191 1.00 37.11 O HETATM 903 O HOH 32 -11.830 -2.650 -1.536 1.00 40.71 O HETATM 904 O HOH 33 -13.773 -7.862 12.381 1.00 49.89 O HETATM 905 O HOH 34 -9.921 0.497 5.778 1.00 37.54 O HETATM 906 O HOH 35 -24.803 -10.578 -12.448 1.00 28.08 O HETATM 907 O HOH 36 -24.779 -5.204 -8.172 1.00 31.30 O HETATM 908 O HOH 37 -30.942 -12.683 -5.548 1.00 42.95 O HETATM 909 O HOH 38 -28.417 -2.551 8.083 1.00 32.38 O HETATM 910 O HOH 39 -22.998 -6.458 -9.867 1.00 28.10 O HETATM 911 O HOH 40 -11.512 2.191 -7.708 1.00 37.28 O HETATM 912 O HOH 41 -15.450 13.102 5.717 1.00 45.90 O HETATM 913 O HOH 42 -15.544 -3.764 3.839 1.00 34.17 O HETATM 914 O HOH 43 -14.855 -12.903 -2.163 1.00 41.53 O HETATM 915 O HOH 44 -30.561 -5.718 5.274 1.00 37.38 O HETATM 916 O HOH 45 -31.744 -15.093 -2.404 1.00 47.75 O HETATM 917 O HOH 46 -24.485 -18.291 -23.168 1.00 40.55 O HETATM 918 O HOH 47 -14.792 -8.492 10.364 1.00 54.88 O HETATM 919 O HOH 48 -12.643 7.769 12.511 1.00 45.57 O HETATM 920 O HOH 49 -19.435 -3.021 -8.762 1.00 37.45 O HETATM 921 O HOH 50 -12.809 -1.808 -16.962 1.00 50.70 O HETATM 922 O HOH 51 -15.057 -15.653 -7.507 1.00 42.73 O HETATM 923 O HOH 52 -24.722 -2.135 -8.349 1.00 41.54 O HETATM 924 O HOH 53 -13.238 -4.697 -5.762 1.00 47.93 O HETATM 925 O HOH 54 -15.416 -16.395 -18.020 1.00 48.76 O HETATM 926 O HOH 55 -15.678 -5.756 -0.349 1.00 52.44 O HETATM 927 O HOH 56 -14.497 -3.832 1.265 1.00 35.47 O HETATM 928 O HOH 57 -12.077 -4.446 0.441 1.00 39.76 O HETATM 929 O HOH 58 -12.319 -4.589 -2.906 1.00 45.34 O HETATM 930 O HOH 59 -17.878 -16.887 -18.993 1.00 47.16 O HETATM 931 O HOH 60 -25.366 -20.624 -22.004 1.00 30.82 O HETATM 932 O HOH 61 -31.291 -12.692 7.239 1.00 47.78 O HETATM 933 O HOH 62 -31.944 -16.179 -0.164 1.00 41.06 O HETATM 934 O HOH 63 -29.523 -3.914 10.057 1.00 43.46 O HETATM 935 O HOH 64 -31.618 -12.338 0.868 1.00 56.58 O HETATM 936 O HOH 65 -25.565 -8.984 12.344 1.00 37.17 O HETATM 937 O HOH 66 -24.394 -4.289 4.520 1.00 23.62 O HETATM 938 O HOH 67 -25.169 -12.500 3.890 1.00 40.63 O HETATM 939 O HOH 68 -28.507 -16.442 6.184 1.00 40.65 O HETATM 940 O HOH 69 -30.512 -10.083 8.600 1.00 43.86 O HETATM 941 O HOH 70 -23.783 -10.908 4.785 1.00 39.61 O HETATM 942 O HOH 71 -27.108 -8.570 14.372 1.00 49.19 O HETATM 943 O HOH 72 -30.271 -15.496 8.358 1.00 46.37 O HETATM 944 N ASP A 73 -35.877 -22.900 -4.726 1.00 0.24 N HETATM 945 CA ASP A 73 -34.728 -22.992 -3.834 1.00 0.08 C HETATM 946 C ASP A 73 -33.871 -21.747 -3.905 1.00 0.23 C HETATM 947 O ASP A 73 -33.697 -21.167 -4.972 1.00 -0.39 O HETATM 948 N ASP A 73 -33.304 -21.361 -2.769 1.00 -0.26 N HETATM 949 CA ASP A 73 -32.513 -20.143 -2.709 1.00 0.13 C HETATM 950 C ASP A 73 -31.366 -20.295 -1.709 1.00 0.21 C HETATM 951 O ASP A 73 -31.451 -21.104 -0.783 1.00 -0.39 O HETATM 952 N ASP A 73 -30.280 -19.523 -1.894 1.00 -0.25 N HETATM 953 CA ASP A 73 -29.157 -19.566 -0.952 1.00 0.13 C HETATM 954 C ASP A 73 -29.570 -18.985 0.386 1.00 0.21 C HETATM 955 O ASP A 73 -30.703 -18.505 0.496 1.00 -0.39 O HETATM 956 N ASP A 73 -28.675 -19.031 1.388 1.00 -0.25 N HETATM 957 CA ASP A 73 -28.961 -18.344 2.651 1.00 0.13 C HETATM 958 C ASP A 73 -29.341 -16.894 2.388 1.00 0.21 C HETATM 959 O ASP A 73 -28.781 -16.287 1.475 1.00 -0.39 O HETATM 960 N ASP A 73 -30.312 -16.357 3.140 1.00 -0.25 N HETATM 961 CA ASP A 73 -30.717 -14.976 2.879 1.00 0.13 C HETATM 962 C ASP A 73 -29.603 -14.023 3.275 1.00 0.20 C HETATM 963 O ASP A 73 -28.671 -14.424 3.977 1.00 -0.39 O HETATM 964 N ASP A 73 -29.681 -12.782 2.814 1.00 -0.26 N HETATM 965 CA ASP A 73 -28.703 -11.796 3.230 1.00 0.14 C HETATM 966 C ASP A 73 -28.738 -11.647 4.743 1.00 0.21 C HETATM 967 O ASP A 73 -29.806 -11.531 5.329 1.00 -0.39 O HETATM 968 N ASP A 73 -27.561 -11.652 5.360 1.00 -0.26 N HETATM 969 CA ASP A 73 -27.437 -11.412 6.786 1.00 0.13 C HETATM 970 C ASP A 73 -26.956 -9.987 7.007 1.00 0.20 C HETATM 971 O ASP A 73 -25.811 -9.660 6.709 1.00 -0.39 O HETATM 972 N ASP A 73 -27.841 -9.139 7.516 1.00 -0.26 N HETATM 973 CA ASP A 73 -27.526 -7.734 7.701 1.00 0.13 C HETATM 974 C ASP A 73 -26.699 -7.521 8.961 1.00 0.21 C HETATM 975 O ASP A 73 -26.727 -8.346 9.874 1.00 -0.39 O HETATM 976 N ASP A 73 -25.950 -6.411 9.009 1.00 -0.25 N HETATM 977 CA ASP A 73 -25.278 -6.007 10.243 1.00 0.13 C HETATM 978 C ASP A 73 -26.305 -5.578 11.295 1.00 0.21 C HETATM 979 O ASP A 73 -27.494 -5.469 10.982 1.00 -0.39 O HETATM 980 N ASP A 73 -25.868 -5.361 12.543 1.00 -0.25 N HETATM 981 CA ASP A 73 -26.838 -4.901 13.542 1.00 0.13 C HETATM 982 C ASP A 73 -27.561 -3.637 13.081 1.00 0.20 C HETATM 983 O ASP A 73 -26.980 -2.833 12.349 1.00 -0.39 O HETATM 984 N ASP A 73 -28.823 -3.486 13.463 1.00 -0.26 N HETATM 985 CA ASP A 73 -29.597 -2.324 13.033 1.00 0.15 C HETATM 986 C ASP A 73 -29.047 -1.050 13.666 1.00 0.21 C HETATM 987 O ASP A 73 -28.439 -1.093 14.738 1.00 -0.39 O HETATM 988 N ASP A 73 -29.254 0.075 12.984 1.00 -0.26 N HETATM 989 CA ASP A 73 -28.828 1.379 13.483 1.00 0.14 C HETATM 990 C ASP A 73 -29.500 1.680 14.824 1.00 0.21 C HETATM 991 O ASP A 73 -30.715 1.556 14.951 1.00 -0.39 O HETATM 992 N ASP A 73 -28.703 2.064 15.816 1.00 -0.27 N HETATM 993 CA ASP A 73 -29.217 2.322 17.162 1.00 0.09 C HETATM 994 C ASP A 73 -29.175 3.811 17.492 1.00 0.06 C HETATM 995 O ASP A 73 -28.203 4.500 17.177 1.00 -0.57 O HETATM 996 OXT ASP A 73 -30.112 4.354 18.080 1.00 -0.57 O HETATM 997 CB ASP A 73 -28.421 1.528 18.200 1.00 -0.03 C HETATM 998 H86 ASP A 73 -28.820 1.734 19.204 1.00 0.03 H HETATM 999 H87 ASP A 73 -27.363 1.827 18.158 1.00 0.03 H HETATM 1000 H88 ASP A 73 -28.507 0.453 17.984 1.00 0.03 H HETATM 1001 H85 ASP A 73 -30.265 1.990 17.200 1.00 0.07 H HETATM 1002 H84 ASP A 73 -27.726 2.180 15.638 1.00 0.19 H HETATM 1003 CB ASP A 73 -29.157 2.472 12.457 1.00 0.02 C HETATM 1004 CG ASP A 73 -28.687 3.856 12.860 1.00 -0.05 C HETATM 1005 CD1 ASP A 73 -29.540 4.741 13.505 1.00 -0.07 C HETATM 1006 CE1 ASP A 73 -29.110 6.011 13.887 1.00 -0.04 C HETATM 1007 CZ ASP A 73 -27.810 6.397 13.618 1.00 0.08 C HETATM 1008 CE2 ASP A 73 -26.947 5.534 12.974 1.00 -0.04 C HETATM 1009 CD2 ASP A 73 -27.386 4.272 12.601 1.00 -0.07 C HETATM 1010 H80 ASP A 73 -26.702 3.598 12.098 1.00 0.05 H HETATM 1011 H82 ASP A 73 -25.930 5.841 12.760 1.00 0.05 H HETATM 1012 OH ASP A 73 -27.374 7.649 13.984 1.00 -0.34 O HETATM 1013 H83 ASP A 73 -26.640 7.565 14.581 1.00 0.25 H HETATM 1014 H81 ASP A 73 -29.789 6.690 14.390 1.00 0.05 H HETATM 1015 H79 ASP A 73 -30.560 4.439 13.716 1.00 0.05 H HETATM 1016 H77 ASP A 73 -30.248 2.503 12.322 1.00 0.05 H HETATM 1017 H78 ASP A 73 -28.677 2.208 11.503 1.00 0.05 H HETATM 1018 H76 ASP A 73 -27.739 1.358 13.635 1.00 0.08 H HETATM 1019 H75 ASP A 73 -29.717 0.025 12.099 1.00 0.19 H HETATM 1020 CB ASP A 73 -31.073 -2.498 13.385 1.00 0.08 C HETATM 1021 OG ASP A 73 -31.637 -3.574 12.660 1.00 -0.39 O HETATM 1022 H74 ASP A 73 -32.553 -3.665 12.893 1.00 0.21 H HETATM 1023 H72 ASP A 73 -31.615 -1.573 13.138 1.00 0.06 H HETATM 1024 H73 ASP A 73 -31.166 -2.701 14.462 1.00 0.06 H HETATM 1025 H71 ASP A 73 -29.509 -2.235 11.940 1.00 0.08 H HETATM 1026 H70 ASP A 73 -29.248 -4.174 14.051 1.00 0.19 H HETATM 1027 CB ASP A 73 -25.969 -4.631 14.778 1.00 -0.01 C HETATM 1028 CG ASP A 73 -24.789 -5.559 14.590 1.00 -0.03 C HETATM 1029 CD ASP A 73 -24.523 -5.539 13.111 1.00 0.04 C HETATM 1030 H68 ASP A 73 -23.863 -4.702 12.838 1.00 0.05 H HETATM 1031 H69 ASP A 73 -24.073 -6.485 12.776 1.00 0.05 H HETATM 1032 H66 ASP A 73 -25.038 -6.576 14.926 1.00 0.03 H HETATM 1033 H67 ASP A 73 -23.914 -5.192 15.147 1.00 0.03 H HETATM 1034 H64 ASP A 73 -26.515 -4.871 15.702 1.00 0.03 H HETATM 1035 H65 ASP A 73 -25.642 -3.581 14.807 1.00 0.03 H HETATM 1036 H63 ASP A 73 -27.581 -5.684 13.752 1.00 0.08 H HETATM 1037 CB ASP A 73 -24.399 -4.834 9.789 1.00 -0.01 C HETATM 1038 CG ASP A 73 -25.095 -4.288 8.601 1.00 -0.03 C HETATM 1039 CD ASP A 73 -25.685 -5.472 7.903 1.00 0.04 C HETATM 1040 H61 ASP A 73 -26.616 -5.201 7.383 1.00 0.05 H HETATM 1041 H62 ASP A 73 -24.974 -5.901 7.182 1.00 0.05 H HETATM 1042 H59 ASP A 73 -24.382 -3.770 7.943 1.00 0.03 H HETATM 1043 H60 ASP A 73 -25.887 -3.589 8.907 1.00 0.03 H HETATM 1044 H57 ASP A 73 -23.391 -5.184 9.522 1.00 0.03 H HETATM 1045 H58 ASP A 73 -24.326 -4.074 10.581 1.00 0.03 H HETATM 1046 H56 ASP A 73 -24.662 -6.825 10.646 1.00 0.08 H HETATM 1047 CB ASP A 73 -28.805 -6.911 7.766 1.00 -0.02 C HETATM 1048 H53 ASP A 73 -28.551 -5.850 7.906 1.00 0.03 H HETATM 1049 H54 ASP A 73 -29.420 -7.256 8.610 1.00 0.03 H HETATM 1050 H55 ASP A 73 -29.367 -7.033 6.829 1.00 0.03 H HETATM 1051 H52 ASP A 73 -26.936 -7.394 6.837 1.00 0.08 H HETATM 1052 H51 ASP A 73 -28.745 -9.476 7.778 1.00 0.19 H HETATM 1053 CB ASP A 73 -26.463 -12.396 7.447 1.00 -0.01 C HETATM 1054 CG1 ASP A 73 -26.291 -12.056 8.921 1.00 -0.06 C HETATM 1055 H45 ASP A 73 -25.591 -12.768 9.382 1.00 0.02 H HETATM 1056 H46 ASP A 73 -27.265 -12.119 9.428 1.00 0.02 H HETATM 1057 H47 ASP A 73 -25.892 -11.035 9.018 1.00 0.02 H HETATM 1058 CG2 ASP A 73 -26.959 -13.830 7.279 1.00 -0.06 C HETATM 1059 H48 ASP A 73 -27.076 -14.054 6.208 1.00 0.02 H HETATM 1060 H49 ASP A 73 -27.928 -13.944 7.786 1.00 0.02 H HETATM 1061 H50 ASP A 73 -26.230 -14.524 7.721 1.00 0.02 H HETATM 1062 H44 ASP A 73 -25.485 -12.306 6.952 1.00 0.03 H HETATM 1063 H43 ASP A 73 -28.426 -11.534 7.251 1.00 0.08 H HETATM 1064 H42 ASP A 73 -26.735 -11.827 4.825 1.00 0.19 H HETATM 1065 CB ASP A 73 -28.970 -10.450 2.573 1.00 0.02 C HETATM 1066 CG ASP A 73 -27.835 -9.468 2.754 1.00 -0.05 C HETATM 1067 CD1 ASP A 73 -26.714 -9.521 1.933 1.00 -0.07 C HETATM 1068 CE1 ASP A 73 -25.673 -8.621 2.085 1.00 -0.04 C HETATM 1069 CZ ASP A 73 -25.740 -7.669 3.091 1.00 0.08 C HETATM 1070 CE2 ASP A 73 -26.840 -7.595 3.919 1.00 -0.04 C HETATM 1071 CD2 ASP A 73 -27.881 -8.495 3.750 1.00 -0.07 C HETATM 1072 H38 ASP A 73 -28.744 -8.441 4.403 1.00 0.05 H HETATM 1073 H40 ASP A 73 -26.890 -6.840 4.695 1.00 0.05 H HETATM 1074 OH ASP A 73 -24.712 -6.779 3.252 1.00 -0.34 O HETATM 1075 H41 ASP A 73 -24.035 -6.960 2.611 1.00 0.25 H HETATM 1076 H39 ASP A 73 -24.814 -8.660 1.424 1.00 0.05 H HETATM 1077 H37 ASP A 73 -26.654 -10.280 1.161 1.00 0.05 H HETATM 1078 H35 ASP A 73 -29.880 -10.019 3.015 1.00 0.05 H HETATM 1079 H36 ASP A 73 -29.126 -10.611 1.496 1.00 0.05 H HETATM 1080 H34 ASP A 73 -27.703 -12.142 2.929 1.00 0.08 H HETATM 1081 H33 ASP A 73 -30.412 -12.527 2.181 1.00 0.19 H HETATM 1082 CB ASP A 73 -31.958 -14.784 3.762 1.00 -0.01 C HETATM 1083 CG ASP A 73 -32.343 -16.170 4.237 1.00 -0.03 C HETATM 1084 CD ASP A 73 -31.078 -16.963 4.243 1.00 0.04 C HETATM 1085 H31 ASP A 73 -30.547 -16.856 5.200 1.00 0.05 H HETATM 1086 H32 ASP A 73 -31.276 -18.028 4.051 1.00 0.05 H HETATM 1087 H29 ASP A 73 -33.075 -16.621 3.550 1.00 0.03 H HETATM 1088 H30 ASP A 73 -32.771 -16.123 5.249 1.00 0.03 H HETATM 1089 H27 ASP A 73 -32.777 -14.337 3.180 1.00 0.03 H HETATM 1090 H28 ASP A 73 -31.722 -14.137 4.620 1.00 0.03 H HETATM 1091 H26 ASP A 73 -30.966 -14.831 1.818 1.00 0.08 H HETATM 1092 CB ASP A 73 -27.640 -18.457 3.407 1.00 -0.01 C HETATM 1093 CG ASP A 73 -27.077 -19.750 2.938 1.00 -0.03 C HETATM 1094 CD ASP A 73 -27.428 -19.816 1.471 1.00 0.04 C HETATM 1095 H24 ASP A 73 -26.636 -19.365 0.855 1.00 0.05 H HETATM 1096 H25 ASP A 73 -27.594 -20.855 1.151 1.00 0.05 H HETATM 1097 H22 ASP A 73 -27.531 -20.591 3.483 1.00 0.03 H HETATM 1098 H23 ASP A 73 -25.986 -19.770 3.076 1.00 0.03 H HETATM 1099 H20 ASP A 73 -27.810 -18.474 4.494 1.00 0.03 H HETATM 1100 H21 ASP A 73 -26.970 -17.622 3.154 1.00 0.03 H HETATM 1101 H19 ASP A 73 -29.773 -18.842 3.201 1.00 0.08 H HETATM 1102 CB ASP A 73 -28.079 -18.695 -1.619 1.00 -0.01 C HETATM 1103 CG ASP A 73 -28.656 -18.171 -2.859 1.00 -0.03 C HETATM 1104 CD ASP A 73 -30.112 -18.470 -2.909 1.00 0.04 C HETATM 1105 H17 ASP A 73 -30.706 -17.580 -2.654 1.00 0.05 H HETATM 1106 H18 ASP A 73 -30.405 -18.833 -3.905 1.00 0.05 H HETATM 1107 H15 ASP A 73 -28.158 -18.641 -3.720 1.00 0.03 H HETATM 1108 H16 ASP A 73 -28.506 -17.082 -2.899 1.00 0.03 H HETATM 1109 H13 ASP A 73 -27.189 -19.302 -1.844 1.00 0.03 H HETATM 1110 H14 ASP A 73 -27.799 -17.866 -0.953 1.00 0.03 H HETATM 1111 H12 ASP A 73 -28.798 -20.596 -0.813 1.00 0.08 H HETATM 1112 CB ASP A 73 -33.414 -18.959 -2.342 1.00 -0.02 C HETATM 1113 H9 ASP A 73 -32.812 -18.040 -2.298 1.00 0.03 H HETATM 1114 H10 ASP A 73 -33.877 -19.141 -1.361 1.00 0.03 H HETATM 1115 H11 ASP A 73 -34.200 -18.846 -3.104 1.00 0.03 H HETATM 1116 H8 ASP A 73 -32.081 -19.957 -3.703 1.00 0.08 H HETATM 1117 H7 ASP A 73 -33.422 -21.915 -1.945 1.00 0.19 H HETATM 1118 CB ASP A 73 -33.863 -24.201 -4.167 1.00 0.06 C HETATM 1119 CG ASP A 73 -32.866 -24.512 -3.070 1.00 0.04 C HETATM 1120 OD1 ASP A 73 -31.765 -25.015 -3.379 1.00 -0.57 O HETATM 1121 OD2 ASP A 73 -33.186 -24.247 -1.893 1.00 -0.57 O HETATM 1122 H5 ASP A 73 -33.313 -23.997 -5.098 1.00 0.05 H HETATM 1123 H6 ASP A 73 -34.516 -25.075 -4.310 1.00 0.05 H HETATM 1124 H4 ASP A 73 -35.103 -23.101 -2.806 1.00 0.11 H HETATM 1125 H1 ASP A 73 -36.426 -23.743 -4.655 1.00 0.20 H HETATM 1126 H2 ASP A 73 -35.557 -22.786 -5.675 1.00 0.20 H HETATM 1127 H3 ASP A 73 -36.443 -22.108 -4.465 1.00 0.20 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 944 945 1125 1126 1127 CONECT 945 944 946 1118 1124 CONECT 946 945 947 948 CONECT 947 946 CONECT 948 946 949 1117 CONECT 949 948 950 1112 1116 CONECT 950 949 951 952 CONECT 951 950 CONECT 952 950 953 1104 CONECT 953 952 954 1102 1111 CONECT 954 953 955 956 CONECT 955 954 CONECT 956 954 957 1094 CONECT 957 956 958 1092 1101 CONECT 958 957 959 960 CONECT 959 958 CONECT 960 958 961 1084 CONECT 961 960 962 1082 1091 CONECT 962 961 963 964 CONECT 963 962 CONECT 964 962 965 1081 CONECT 965 964 966 1065 1080 CONECT 966 965 967 968 CONECT 967 966 CONECT 968 966 969 1064 CONECT 969 968 970 1053 1063 CONECT 970 969 971 972 CONECT 971 970 CONECT 972 970 973 1052 CONECT 973 972 974 1047 1051 CONECT 974 973 975 976 CONECT 975 974 CONECT 976 974 977 1039 CONECT 977 976 978 1037 1046 CONECT 978 977 979 980 CONECT 979 978 CONECT 980 978 981 1029 CONECT 981 980 982 1027 1036 CONECT 982 981 983 984 CONECT 983 982 CONECT 984 982 985 1026 CONECT 985 984 986 1020 1025 CONECT 986 985 987 988 CONECT 987 986 CONECT 988 986 989 1019 CONECT 989 988 990 1003 1018 CONECT 990 989 991 992 CONECT 991 990 CONECT 992 990 993 1002 CONECT 993 992 994 997 1001 CONECT 994 993 995 996 CONECT 995 994 CONECT 996 994 CONECT 997 993 998 999 1000 CONECT 998 997 CONECT 999 997 CONECT 1000 997 CONECT 1001 993 CONECT 1002 992 CONECT 1003 989 1004 1016 1017 CONECT 1004 1003 1005 1009 CONECT 1005 1004 1006 1015 CONECT 1006 1005 1007 1014 CONECT 1007 1006 1008 1012 CONECT 1008 1007 1009 1011 CONECT 1009 1004 1008 1010 CONECT 1010 1009 CONECT 1011 1008 CONECT 1012 1007 1013 CONECT 1013 1012 CONECT 1014 1006 CONECT 1015 1005 CONECT 1016 1003 CONECT 1017 1003 CONECT 1018 989 CONECT 1019 988 CONECT 1020 985 1021 1023 1024 CONECT 1021 1020 1022 CONECT 1022 1021 CONECT 1023 1020 CONECT 1024 1020 CONECT 1025 985 CONECT 1026 984 CONECT 1027 981 1028 1034 1035 CONECT 1028 1027 1029 1032 1033 CONECT 1029 980 1028 1030 1031 CONECT 1030 1029 CONECT 1031 1029 CONECT 1032 1028 CONECT 1033 1028 CONECT 1034 1027 CONECT 1035 1027 CONECT 1036 981 CONECT 1037 977 1038 1044 1045 CONECT 1038 1037 1039 1042 1043 CONECT 1039 976 1038 1040 1041 CONECT 1040 1039 CONECT 1041 1039 CONECT 1042 1038 CONECT 1043 1038 CONECT 1044 1037 CONECT 1045 1037 CONECT 1046 977 CONECT 1047 973 1048 1049 1050 CONECT 1048 1047 CONECT 1049 1047 CONECT 1050 1047 CONECT 1051 973 CONECT 1052 972 CONECT 1053 969 1054 1058 1062 CONECT 1054 1053 1055 1056 1057 CONECT 1055 1054 CONECT 1056 1054 CONECT 1057 1054 CONECT 1058 1053 1059 1060 1061 CONECT 1059 1058 CONECT 1060 1058 CONECT 1061 1058 CONECT 1062 1053 CONECT 1063 969 CONECT 1064 968 CONECT 1065 965 1066 1078 1079 CONECT 1066 1065 1067 1071 CONECT 1067 1066 1068 1077 CONECT 1068 1067 1069 1076 CONECT 1069 1068 1070 1074 CONECT 1070 1069 1071 1073 CONECT 1071 1066 1070 1072 CONECT 1072 1071 CONECT 1073 1070 CONECT 1074 1069 1075 CONECT 1075 1074 CONECT 1076 1068 CONECT 1077 1067 CONECT 1078 1065 CONECT 1079 1065 CONECT 1080 965 CONECT 1081 964 CONECT 1082 961 1083 1089 1090 CONECT 1083 1082 1084 1087 1088 CONECT 1084 960 1083 1085 1086 CONECT 1085 1084 CONECT 1086 1084 CONECT 1087 1083 CONECT 1088 1083 CONECT 1089 1082 CONECT 1090 1082 CONECT 1091 961 CONECT 1092 957 1093 1099 1100 CONECT 1093 1092 1094 1097 1098 CONECT 1094 956 1093 1095 1096 CONECT 1095 1094 CONECT 1096 1094 CONECT 1097 1093 CONECT 1098 1093 CONECT 1099 1092 CONECT 1100 1092 CONECT 1101 957 CONECT 1102 953 1103 1109 1110 CONECT 1103 1102 1104 1107 1108 CONECT 1104 952 1103 1105 1106 CONECT 1105 1104 CONECT 1106 1104 CONECT 1107 1103 CONECT 1108 1103 CONECT 1109 1102 CONECT 1110 1102 CONECT 1111 953 CONECT 1112 949 1113 1114 1115 CONECT 1113 1112 CONECT 1114 1112 CONECT 1115 1112 CONECT 1116 949 CONECT 1117 948 CONECT 1118 945 1119 1122 1123 CONECT 1119 1118 1120 1121 CONECT 1120 1119 CONECT 1121 1119 CONECT 1122 1118 CONECT 1123 1118 CONECT 1124 945 CONECT 1125 944 CONECT 1126 944 CONECT 1127 944 MASTER 0 0 0 0 0 0 0 0 1126 1 188 7 END
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Entry Information
PDB ID
6jjz
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 2, MAGI2
Ligand Name
18-mer
EC.Number
E.C.-.-.-.-
Resolution
1.65(Å)
Affinity (Kd/Ki/IC50)
Kd=2.3nM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Elife Vol. 8: pp. e49439
Ligand Properties
Formula
C
6
4
H
9
0
N
1
3
O
1
9
Molecular Weight
1345.480
Exact Mass
1344.650
No. of atoms
186
No. of bonds
192
Polar Surface Area
468.18
LOGP Value
-0.68 (
Computed with XLOGP3
)
-1.46 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 11
No. of Hydrogen Bond Acceptors: 19
No. of Rotatable Bonds: 41
No. of Nitrogen and Oxygen Atoms: 32
No. of Rings: 7
Canonical SMILES
OC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C)Cc1ccc(cc1)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CC(=O)O)[NH3+])C)C
InChI String
InChI=1S/C64H89N13O19/c1-33(2)51(58(89)67-35(4)60(91)75-26-8-13-47(75)61(92)74-25-7-12-46(74)57(88)71-44(32-78)55(86)69-42(53(84)68-36(5)64(95)96)29-37-16-20-39(79)21-17-37)72-54(85)43(30-38-18-22-40(80)23-19-38)70-56(87)45-11-6-24-73(45)62(93)49-15-10-28-77(49)63(94)48-14-9-27-76(48)59(90)34(3)66-52(83)41(65)31-50(81)82/h16-23,33-36,41-49,51,78-80H,6-15,24-32,65H2,1-5H3,(H,66,83)(H,67,89)(H,68,84)(H,69,86)(H,70,87)(H,71,88)(H,72,85)(H,81,82)(H,95,96)/p+1/t34-,35-,36-,41-,42-,43-,44-,45-,46-,47-,48-,49-,51-/m0/s1
Links to External Databases
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PDBsum
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Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q80TS7
Q9WVQ1
Entrez Gene ID
NCBI Entrez Gene ID:
13199
50791
ASD
Information of known allosteric effects of PDB entries
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