Browse entries in the PDBbind-CN Database
HEADER 6RFW_COMPLEX COMPND 6RFW_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 332 VAL THR ALA ILE THR LYS VAL GLU ARG GLU ALA VAL LEU SEQRES 2 A 332 VAL CYS GLU LEU PRO SER PHE ASP VAL THR ASP VAL GLU SEQRES 3 A 332 PHE ASP LEU PHE ARG ALA ARG GLU SER THR ASP LYS PRO SEQRES 4 A 332 LEU ASP VAL ALA ALA ALA ILE ALA TYR ARG LEU LEU LEU SEQRES 5 A 332 GLY SER GLY LEU PRO GLN LYS PHE GLY CYS SER ASP GLU SEQRES 6 A 332 VAL LEU LEU ASN PHE ILE LEU GLN CYS ARG LYS LYS TYR SEQRES 7 A 332 ARG ASN VAL PRO TYR HIS ASN PHE TYR HIS VAL VAL ASP SEQRES 8 A 332 VAL CYS GLN THR ILE HIS THR PHE LEU TYR ARG GLY ASN SEQRES 9 A 332 VAL TYR GLU LYS LEU THR GLU LEU GLU CYS PHE VAL LEU SEQRES 10 A 332 LEU ILE THR ALA LEU VAL HIS ASP LEU ASP HIS MET GLY SEQRES 11 A 332 LEU ASN ASN SER PHE TYR LEU LYS THR GLU SER PRO LEU SEQRES 12 A 332 GLY ILE LEU SER SER ALA SER GLY ASN THR SER VAL LEU SEQRES 13 A 332 GLU VAL HIS HIS CYS ASN LEU ALA VAL GLU ILE LEU SER SEQRES 14 A 332 ASP PRO GLU SER ASP VAL PHE ASP GLY LEU GLU GLY ALA SEQRES 15 A 332 GLU ARG THR LEU ALA PHE ARG SER MET ILE ASP CYS VAL SEQRES 16 A 332 LEU ALA THR ASP MET ALA LYS HIS GLY SER ALA LEU GLU SEQRES 17 A 332 ALA PHE LEU ALA SER ALA ALA ASP GLN SER SER ASP GLU SEQRES 18 A 332 ALA ALA PHE HIS ARG MET THR MET GLU ILE ILE LEU LYS SEQRES 19 A 332 ALA GLY ASP ILE SER ASN VAL THR LYS PRO PHE ASP ILE SEQRES 20 A 332 SER ARG GLN TRP ALA MET ALA VAL THR GLU GLU PHE TYR SEQRES 21 A 332 ARG GLN GLY ASP MET GLU LYS GLU ARG GLY VAL GLU VAL SEQRES 22 A 332 LEU PRO MET PHE ASP ARG SER LYS ASN MET GLU LEU ALA SEQRES 23 A 332 LYS GLY GLN ILE GLY PHE ILE ASP PHE VAL ALA ALA PRO SEQRES 24 A 332 PHE PHE GLN LYS ILE VAL ASP ALA CYS LEU GLN GLY MET SEQRES 25 A 332 GLN TRP THR VAL ASP ARG ILE LYS SER ASN ARG ALA GLN SEQRES 26 A 332 TRP GLU ARG VAL LEU GLU THR HET ZN A 1 1 HET MG A 2 1 HET K A 1Q 66 ATOM 1 N VAL A 586 39.113 -17.533 -7.452 1.00105.29 N ATOM 2 CA VAL A 586 39.358 -16.919 -6.114 1.00105.45 C ATOM 3 C VAL A 586 40.130 -17.909 -5.242 1.00 95.76 C ATOM 4 O VAL A 586 39.579 -18.961 -4.908 1.00 92.33 O ATOM 5 CB VAL A 586 38.040 -16.505 -5.436 1.00115.87 C ATOM 6 CG1 VAL A 586 38.194 -16.405 -3.930 1.00107.31 C ATOM 7 CG2 VAL A 586 37.495 -15.207 -6.005 1.00118.38 C ATOM 8 HN3 VAL A 586 38.557 -18.404 -7.336 1.00 0.00 H ATOM 9 HN2 VAL A 586 40.024 -17.758 -7.901 1.00 0.00 H ATOM 10 HN1 VAL A 586 38.588 -16.863 -8.049 1.00 0.00 H ATOM 11 N THR A 587 41.359 -17.555 -4.877 1.00 89.70 N ATOM 12 CA THR A 587 42.205 -18.418 -4.017 1.00 91.79 C ATOM 13 C THR A 587 41.716 -18.284 -2.572 1.00 92.49 C ATOM 14 O THR A 587 41.123 -17.246 -2.259 1.00 95.61 O ATOM 15 CB THR A 587 43.683 -18.100 -4.246 1.00 91.86 C ATOM 16 OG1 THR A 587 44.305 -18.003 -2.969 1.00 89.60 O ATOM 17 CG2 THR A 587 43.889 -16.828 -5.036 1.00 89.47 C ATOM 18 HG1 THR A 587 45.266 -17.797 -3.086 1.00 0.00 H ATOM 19 H THR A 587 41.739 -16.644 -5.205 1.00 0.00 H ATOM 20 N ALA A 588 41.991 -19.276 -1.724 1.00 85.43 N ATOM 21 CA ALA A 588 41.455 -19.274 -0.343 1.00 84.23 C ATOM 22 C ALA A 588 42.209 -18.320 0.577 1.00 84.21 C ATOM 23 O ALA A 588 43.286 -17.852 0.206 1.00 71.89 O ATOM 24 CB ALA A 588 41.421 -20.667 0.221 1.00 78.39 C ATOM 25 H ALA A 588 42.592 -20.065 -2.038 1.00 0.00 H ATOM 26 N ILE A 589 41.602 -18.043 1.732 1.00 83.76 N ATOM 27 CA ILE A 589 42.197 -17.151 2.766 1.00 90.65 C ATOM 28 C ILE A 589 43.134 -18.011 3.616 1.00 95.04 C ATOM 29 O ILE A 589 42.803 -19.183 3.850 1.00 79.66 O ATOM 30 CB ILE A 589 41.097 -16.470 3.599 1.00 91.68 C ATOM 31 CG1 ILE A 589 40.328 -15.439 2.771 1.00 84.54 C ATOM 32 CG2 ILE A 589 41.673 -15.860 4.863 1.00 84.48 C ATOM 33 CD1 ILE A 589 41.157 -14.747 1.731 1.00 74.38 C ATOM 34 H ILE A 589 40.672 -18.469 1.919 1.00 0.00 H ATOM 35 N THR A 590 44.247 -17.422 4.047 1.00 91.75 N ATOM 36 CA THR A 590 45.333 -18.107 4.797 1.00 96.03 C ATOM 37 C THR A 590 45.232 -17.793 6.293 1.00109.38 C ATOM 38 O THR A 590 44.675 -16.729 6.654 1.00109.02 O ATOM 39 CB THR A 590 46.740 -17.698 4.334 1.00 93.93 C ATOM 40 OG1 THR A 590 47.064 -16.431 4.922 1.00 85.73 O ATOM 41 CG2 THR A 590 46.889 -17.662 2.827 1.00 86.63 C ATOM 42 HG1 THR A 590 46.403 -15.754 4.631 1.00 0.00 H ATOM 43 H THR A 590 44.366 -16.409 3.844 1.00 0.00 H ATOM 44 N LYS A 591 45.803 -18.689 7.105 1.00121.04 N ATOM 45 CA LYS A 591 46.043 -18.527 8.563 1.00117.35 C ATOM 46 C LYS A 591 46.778 -17.205 8.821 1.00112.81 C ATOM 47 O LYS A 591 46.497 -16.563 9.857 1.00109.57 O ATOM 48 CB LYS A 591 46.854 -19.715 9.097 1.00121.48 C ATOM 49 CG LYS A 591 46.041 -20.936 9.517 1.00118.77 C ATOM 50 CD LYS A 591 46.763 -21.860 10.488 1.00118.07 C ATOM 51 CE LYS A 591 47.111 -21.215 11.818 1.00117.00 C ATOM 52 NZ LYS A 591 45.968 -21.230 12.761 1.00114.99 N ATOM 53 HZ1 LYS A 591 45.171 -20.707 12.346 1.00 0.00 H ATOM 54 HZ2 LYS A 591 45.683 -22.214 12.942 1.00 0.00 H ATOM 55 HZ3 LYS A 591 46.251 -20.780 13.655 1.00 0.00 H ATOM 56 H LYS A 591 46.109 -19.585 6.675 1.00 0.00 H ATOM 57 N VAL A 592 47.690 -16.820 7.924 1.00105.32 N ATOM 58 CA VAL A 592 48.458 -15.545 8.023 1.00109.52 C ATOM 59 C VAL A 592 47.460 -14.382 8.062 1.00113.71 C ATOM 60 O VAL A 592 47.600 -13.493 8.939 1.00106.29 O ATOM 61 CB VAL A 592 49.452 -15.392 6.854 1.00112.23 C ATOM 62 CG1 VAL A 592 50.090 -14.007 6.831 1.00109.33 C ATOM 63 CG2 VAL A 592 50.515 -16.486 6.872 1.00106.97 C ATOM 64 H VAL A 592 47.875 -17.443 7.112 1.00 0.00 H ATOM 65 N GLU A 593 46.486 -14.404 7.145 1.00108.74 N ATOM 66 CA GLU A 593 45.553 -13.278 6.875 1.00 87.67 C ATOM 67 C GLU A 593 44.560 -13.161 8.037 1.00 79.32 C ATOM 68 O GLU A 593 44.435 -12.027 8.577 1.00 72.81 O ATOM 69 CB GLU A 593 44.880 -13.485 5.517 1.00 88.17 C ATOM 70 CG GLU A 593 45.860 -13.437 4.357 1.00 80.94 C ATOM 71 CD GLU A 593 45.372 -14.042 3.052 1.00 78.47 C ATOM 72 OE1 GLU A 593 45.724 -13.489 2.008 1.00 77.75 O ATOM 73 OE2 GLU A 593 44.650 -15.064 3.079 1.00 80.74 O ATOM 74 H GLU A 593 46.373 -15.270 6.581 1.00 0.00 H ATOM 75 N ARG A 594 43.926 -14.273 8.439 1.00 66.27 N ATOM 76 CA ARG A 594 42.997 -14.301 9.611 1.00 77.84 C ATOM 77 C ARG A 594 43.696 -13.758 10.873 1.00 80.28 C ATOM 78 O ARG A 594 43.085 -12.900 11.558 1.00 80.54 O ATOM 79 CB ARG A 594 42.415 -15.700 9.862 1.00 77.17 C ATOM 80 CG ARG A 594 41.364 -16.114 8.845 1.00 85.17 C ATOM 81 CD ARG A 594 40.478 -17.278 9.264 1.00 88.94 C ATOM 82 NE ARG A 594 41.235 -18.498 9.474 1.00 93.63 N ATOM 83 CZ ARG A 594 41.843 -19.201 8.521 1.00 96.12 C ATOM 84 NH1 ARG A 594 41.806 -18.815 7.255 1.00 97.80 N ATOM 85 NH2 ARG A 594 42.510 -20.294 8.848 1.00100.75 N ATOM 86 HE ARG A 594 41.309 -18.852 10.449 1.00 0.00 H ATOM 87 HH12 ARG A 594 42.288 -19.378 6.525 1.00 0.00 H ATOM 88 HH11 ARG A 594 41.295 -17.949 6.990 1.00 0.00 H ATOM 89 HH22 ARG A 594 42.989 -20.851 8.112 1.00 0.00 H ATOM 90 HH21 ARG A 594 42.556 -20.597 9.842 1.00 0.00 H ATOM 91 H ARG A 594 44.088 -15.155 7.912 1.00 0.00 H ATOM 92 N GLU A 595 44.914 -14.226 11.178 1.00 90.33 N ATOM 93 CA GLU A 595 45.719 -13.761 12.349 1.00 93.36 C ATOM 94 C GLU A 595 45.921 -12.247 12.249 1.00 83.27 C ATOM 95 O GLU A 595 45.684 -11.565 13.261 1.00 79.85 O ATOM 96 CB GLU A 595 47.074 -14.477 12.457 1.00 96.81 C ATOM 97 CG GLU A 595 47.023 -15.789 13.233 1.00 98.20 C ATOM 98 CD GLU A 595 46.318 -15.736 14.585 1.00104.55 C ATOM 99 OE1 GLU A 595 46.546 -14.763 15.371 1.00101.28 O ATOM 100 OE2 GLU A 595 45.518 -16.659 14.847 1.00 98.12 O ATOM 101 H GLU A 595 45.324 -14.957 10.563 1.00 0.00 H ATOM 102 N ALA A 596 46.305 -11.757 11.065 1.00 84.64 N ATOM 103 CA ALA A 596 46.533 -10.321 10.775 1.00 82.77 C ATOM 104 C ALA A 596 45.352 -9.493 11.302 1.00 92.18 C ATOM 105 O ALA A 596 45.605 -8.392 11.820 1.00 96.45 O ATOM 106 CB ALA A 596 46.749 -10.115 9.297 1.00 78.63 C ATOM 107 H ALA A 596 46.455 -12.434 10.290 1.00 0.00 H ATOM 108 N VAL A 597 44.120 -10.017 11.210 1.00 88.61 N ATOM 109 CA VAL A 597 42.863 -9.322 11.631 1.00 86.14 C ATOM 110 C VAL A 597 42.562 -9.639 13.101 1.00 84.99 C ATOM 111 O VAL A 597 42.225 -8.697 13.859 1.00 82.14 O ATOM 112 CB VAL A 597 41.666 -9.721 10.741 1.00 87.52 C ATOM 113 CG1 VAL A 597 40.348 -9.101 11.213 1.00 83.36 C ATOM 114 CG2 VAL A 597 41.927 -9.388 9.283 1.00 81.68 C ATOM 115 H VAL A 597 44.032 -10.976 10.817 1.00 0.00 H ATOM 116 N LEU A 598 42.638 -10.917 13.481 1.00 88.48 N ATOM 117 CA LEU A 598 42.159 -11.412 14.803 1.00 90.45 C ATOM 118 C LEU A 598 42.936 -10.748 15.950 1.00 96.77 C ATOM 119 O LEU A 598 42.343 -10.627 17.032 1.00 96.44 O ATOM 120 CB LEU A 598 42.268 -12.941 14.859 1.00 84.99 C ATOM 121 CG LEU A 598 41.012 -13.700 14.426 1.00 82.78 C ATOM 122 CD1 LEU A 598 41.254 -15.203 14.359 1.00 73.98 C ATOM 123 CD2 LEU A 598 39.844 -13.393 15.356 1.00 88.94 C ATOM 124 H LEU A 598 43.053 -11.603 12.819 1.00 0.00 H ATOM 125 N VAL A 599 44.182 -10.307 15.719 1.00104.93 N ATOM 126 CA VAL A 599 45.086 -9.735 16.771 1.00106.39 C ATOM 127 C VAL A 599 44.753 -8.248 17.032 1.00100.82 C ATOM 128 O VAL A 599 45.276 -7.711 18.018 1.00104.70 O ATOM 129 CB VAL A 599 46.588 -9.954 16.448 1.00106.78 C ATOM 130 CG1 VAL A 599 46.972 -11.435 16.368 1.00101.85 C ATOM 131 CG2 VAL A 599 47.037 -9.218 15.193 1.00104.75 C ATOM 132 H VAL A 599 44.545 -10.366 14.746 1.00 0.00 H ATOM 133 N CYS A 600 43.899 -7.597 16.230 1.00 99.75 N ATOM 134 CA CYS A 600 43.550 -6.150 16.379 1.00 95.50 C ATOM 135 C CYS A 600 42.464 -5.980 17.441 1.00 95.12 C ATOM 136 O CYS A 600 41.450 -6.683 17.325 1.00100.75 O ATOM 137 CB CYS A 600 43.026 -5.561 15.079 1.00 90.30 C ATOM 138 SG CYS A 600 44.141 -5.813 13.679 1.00 83.73 S ATOM 139 H CYS A 600 43.452 -8.130 15.457 1.00 0.00 H ATOM 140 N GLU A 601 42.644 -5.073 18.408 1.00 89.48 N ATOM 141 CA GLU A 601 41.811 -5.061 19.642 1.00 93.51 C ATOM 142 C GLU A 601 41.048 -3.744 19.816 1.00 96.94 C ATOM 143 O GLU A 601 40.355 -3.618 20.840 1.00107.16 O ATOM 144 CB GLU A 601 42.677 -5.390 20.854 1.00 98.19 C ATOM 145 CG GLU A 601 42.908 -6.882 21.028 1.00108.20 C ATOM 146 CD GLU A 601 43.409 -7.282 22.407 1.00116.69 C ATOM 147 OE1 GLU A 601 44.217 -6.517 22.980 1.00110.37 O ATOM 148 OE2 GLU A 601 42.980 -8.349 22.911 1.00111.15 O ATOM 149 H GLU A 601 43.388 -4.355 18.294 1.00 0.00 H ATOM 150 N LEU A 602 41.123 -2.822 18.855 1.00 93.88 N ATOM 151 CA LEU A 602 40.218 -1.643 18.781 1.00 98.81 C ATOM 152 C LEU A 602 40.084 -1.000 20.164 1.00103.99 C ATOM 153 O LEU A 602 39.035 -1.071 20.816 1.00 88.09 O ATOM 154 CB LEU A 602 38.856 -2.095 18.236 1.00106.17 C ATOM 155 CG LEU A 602 38.883 -3.165 17.142 1.00102.98 C ATOM 156 CD1 LEU A 602 37.468 -3.567 16.757 1.00 94.40 C ATOM 157 CD2 LEU A 602 39.657 -2.690 15.919 1.00 98.17 C ATOM 158 H LEU A 602 41.851 -2.933 18.120 1.00 0.00 H ATOM 159 N PRO A 603 41.156 -0.331 20.645 1.00113.02 N ATOM 160 CA PRO A 603 41.151 0.280 21.970 1.00105.34 C ATOM 161 C PRO A 603 40.497 1.671 21.942 1.00 97.81 C ATOM 162 O PRO A 603 40.917 2.503 21.140 1.00 83.17 O ATOM 163 CB PRO A 603 42.652 0.340 22.278 1.00113.43 C ATOM 164 CG PRO A 603 43.294 0.622 20.930 1.00116.31 C ATOM 165 CD PRO A 603 42.420 -0.098 19.924 1.00118.04 C ATOM 166 N SER A 604 39.512 1.862 22.833 1.00 95.47 N ATOM 167 CA SER A 604 38.692 3.096 22.989 1.00 97.18 C ATOM 168 C SER A 604 37.866 3.336 21.720 1.00103.29 C ATOM 169 O SER A 604 37.951 4.445 21.157 1.00108.73 O ATOM 170 CB SER A 604 39.511 4.304 23.389 1.00 99.63 C ATOM 171 OG SER A 604 39.761 5.138 22.267 1.00 97.55 O ATOM 172 HG SER A 604 38.900 5.447 21.888 1.00 0.00 H ATOM 173 H SER A 604 39.301 1.073 23.476 1.00 0.00 H ATOM 174 N PHE A 605 37.090 2.326 21.308 1.00 98.97 N ATOM 175 CA PHE A 605 36.245 2.413 20.087 1.00 82.03 C ATOM 176 C PHE A 605 34.980 1.561 20.255 1.00 70.63 C ATOM 177 O PHE A 605 35.095 0.323 20.349 1.00 62.43 O ATOM 178 CB PHE A 605 37.028 1.934 18.862 1.00 76.65 C ATOM 179 CG PHE A 605 38.037 2.917 18.326 1.00 77.17 C ATOM 180 CD1 PHE A 605 37.643 4.171 17.886 1.00 79.28 C ATOM 181 CD2 PHE A 605 39.382 2.590 18.261 1.00 75.84 C ATOM 182 CE1 PHE A 605 38.572 5.074 17.393 1.00 81.48 C ATOM 183 CE2 PHE A 605 40.310 3.494 17.768 1.00 73.31 C ATOM 184 CZ PHE A 605 39.903 4.735 17.335 1.00 77.64 C ATOM 185 H PHE A 605 37.077 1.447 21.863 1.00 0.00 H ATOM 186 N ASP A 606 33.814 2.215 20.291 1.00 67.37 N ATOM 187 CA ASP A 606 32.503 1.519 20.400 1.00 69.13 C ATOM 188 C ASP A 606 31.928 1.395 18.985 1.00 66.87 C ATOM 189 O ASP A 606 31.252 2.341 18.536 1.00 69.89 O ATOM 190 CB ASP A 606 31.554 2.261 21.344 1.00 69.56 C ATOM 191 CG ASP A 606 30.341 1.441 21.749 1.00 75.36 C ATOM 192 OD1 ASP A 606 30.091 0.406 21.099 1.00 64.35 O ATOM 193 OD2 ASP A 606 29.657 1.844 22.710 1.00 81.11 O ATOM 194 H ASP A 606 33.824 3.254 20.241 1.00 0.00 H ATOM 195 N VAL A 607 32.189 0.265 18.321 1.00 68.63 N ATOM 196 CA VAL A 607 31.755 0.044 16.909 1.00 62.26 C ATOM 197 C VAL A 607 30.231 0.111 16.817 1.00 57.67 C ATOM 198 O VAL A 607 29.745 0.387 15.722 1.00 60.62 O ATOM 199 CB VAL A 607 32.279 -1.294 16.354 1.00 59.78 C ATOM 200 CG1 VAL A 607 33.795 -1.268 16.208 1.00 57.90 C ATOM 201 CG2 VAL A 607 31.828 -2.491 17.195 1.00 62.84 C ATOM 202 H VAL A 607 32.715 -0.490 18.806 1.00 0.00 H ATOM 203 N THR A 608 29.505 -0.059 17.919 1.00 51.82 N ATOM 204 CA THR A 608 28.025 -0.102 17.883 1.00 53.85 C ATOM 205 C THR A 608 27.451 1.313 18.019 1.00 51.51 C ATOM 206 O THR A 608 26.232 1.433 17.921 1.00 55.12 O ATOM 207 CB THR A 608 27.475 -1.096 18.914 1.00 55.88 C ATOM 208 OG1 THR A 608 27.541 -0.471 20.196 1.00 56.73 O ATOM 209 CG2 THR A 608 28.215 -2.418 18.918 1.00 52.53 C ATOM 210 HG1 THR A 608 28.482 -0.244 20.403 1.00 0.00 H ATOM 211 H THR A 608 29.991 -0.165 18.832 1.00 0.00 H ATOM 212 N ASP A 609 28.279 2.347 18.190 1.00 55.49 N ATOM 213 CA ASP A 609 27.817 3.707 18.582 1.00 57.31 C ATOM 214 C ASP A 609 27.671 4.538 17.309 1.00 56.65 C ATOM 215 O ASP A 609 28.497 4.344 16.390 1.00 51.79 O ATOM 216 CB ASP A 609 28.784 4.387 19.566 1.00 68.45 C ATOM 217 CG ASP A 609 28.200 5.596 20.291 1.00 71.76 C ATOM 218 OD1 ASP A 609 27.453 5.408 21.281 1.00 83.69 O ATOM 219 OD2 ASP A 609 28.469 6.716 19.851 1.00 75.41 O ATOM 220 H ASP A 609 29.297 2.195 18.042 1.00 0.00 H ATOM 221 N VAL A 610 26.701 5.458 17.297 1.00 49.02 N ATOM 222 CA VAL A 610 26.359 6.309 16.123 1.00 52.84 C ATOM 223 C VAL A 610 27.462 7.360 15.909 1.00 61.59 C ATOM 224 O VAL A 610 27.490 7.992 14.824 1.00 70.94 O ATOM 225 CB VAL A 610 24.970 6.957 16.280 1.00 53.80 C ATOM 226 CG1 VAL A 610 23.921 5.932 16.667 1.00 60.08 C ATOM 227 CG2 VAL A 610 24.954 8.096 17.280 1.00 55.53 C ATOM 228 H VAL A 610 26.147 5.589 18.167 1.00 0.00 H ATOM 229 N GLU A 611 28.333 7.568 16.900 1.00 65.56 N ATOM 230 CA GLU A 611 29.437 8.554 16.802 1.00 64.88 C ATOM 231 C GLU A 611 30.750 7.832 16.560 1.00 58.94 C ATOM 232 O GLU A 611 31.757 8.526 16.501 1.00 63.48 O ATOM 233 CB GLU A 611 29.501 9.430 18.046 1.00 69.68 C ATOM 234 CG GLU A 611 28.279 10.321 18.166 1.00 77.45 C ATOM 235 CD GLU A 611 28.447 11.523 19.070 1.00 83.50 C ATOM 236 OE1 GLU A 611 29.617 11.928 19.317 1.00 94.53 O ATOM 237 OE2 GLU A 611 27.407 12.054 19.512 1.00 85.75 O ATOM 238 H GLU A 611 28.233 7.016 17.776 1.00 0.00 H ATOM 239 N PHE A 612 30.716 6.503 16.417 1.00 57.08 N ATOM 240 CA PHE A 612 31.947 5.706 16.172 1.00 61.63 C ATOM 241 C PHE A 612 32.692 6.279 14.961 1.00 69.70 C ATOM 242 O PHE A 612 32.161 6.202 13.835 1.00 64.04 O ATOM 243 CB PHE A 612 31.597 4.232 15.954 1.00 58.74 C ATOM 244 CG PHE A 612 32.689 3.413 15.314 1.00 58.91 C ATOM 245 CD1 PHE A 612 33.638 2.765 16.089 1.00 58.20 C ATOM 246 CD2 PHE A 612 32.769 3.289 13.937 1.00 57.99 C ATOM 247 CE1 PHE A 612 34.642 2.012 15.500 1.00 60.93 C ATOM 248 CE2 PHE A 612 33.773 2.535 13.349 1.00 59.41 C ATOM 249 CZ PHE A 612 34.707 1.899 14.131 1.00 61.03 C ATOM 250 H PHE A 612 29.801 6.012 16.479 1.00 0.00 H ATOM 251 N ASP A 613 33.886 6.833 15.195 1.00 73.91 N ATOM 252 CA ASP A 613 34.709 7.424 14.106 1.00 70.98 C ATOM 253 C ASP A 613 35.544 6.320 13.447 1.00 70.43 C ATOM 254 O ASP A 613 36.225 5.577 14.181 1.00 67.88 O ATOM 255 CB ASP A 613 35.587 8.565 14.628 1.00 69.32 C ATOM 256 CG ASP A 613 36.291 9.337 13.525 1.00 80.83 C ATOM 257 OD1 ASP A 613 36.615 8.718 12.492 1.00 93.07 O ATOM 258 OD2 ASP A 613 36.509 10.551 13.709 1.00 70.67 O ATOM 259 H ASP A 613 34.251 6.851 16.169 1.00 0.00 H ATOM 260 N LEU A 614 35.485 6.225 12.115 1.00 70.46 N ATOM 261 CA LEU A 614 36.248 5.195 11.361 1.00 69.64 C ATOM 262 C LEU A 614 37.509 5.834 10.765 1.00 65.48 C ATOM 263 O LEU A 614 38.452 5.086 10.440 1.00 64.98 O ATOM 264 CB LEU A 614 35.352 4.617 10.261 1.00 66.42 C ATOM 265 CG LEU A 614 36.058 3.730 9.236 1.00 68.08 C ATOM 266 CD1 LEU A 614 36.504 2.420 9.868 1.00 64.31 C ATOM 267 CD2 LEU A 614 35.161 3.466 8.037 1.00 65.58 C ATOM 268 H LEU A 614 34.886 6.893 11.589 1.00 0.00 H ATOM 269 N PHE A 615 37.512 7.164 10.632 1.00 62.29 N ATOM 270 CA PHE A 615 38.677 7.896 10.067 1.00 68.34 C ATOM 271 C PHE A 615 39.805 7.935 11.105 1.00 75.14 C ATOM 272 O PHE A 615 40.987 7.851 10.714 1.00 67.80 O ATOM 273 CB PHE A 615 38.266 9.305 9.630 1.00 62.16 C ATOM 274 CG PHE A 615 37.598 9.373 8.280 1.00 63.45 C ATOM 275 CD1 PHE A 615 38.342 9.289 7.114 1.00 59.72 C ATOM 276 CD2 PHE A 615 36.224 9.520 8.173 1.00 70.22 C ATOM 277 CE1 PHE A 615 37.728 9.351 5.873 1.00 64.83 C ATOM 278 CE2 PHE A 615 35.611 9.582 6.932 1.00 68.91 C ATOM 279 CZ PHE A 615 36.364 9.498 5.784 1.00 66.35 C ATOM 280 H PHE A 615 36.675 7.703 10.932 1.00 0.00 H ATOM 281 N ARG A 616 39.441 8.058 12.385 1.00 80.46 N ATOM 282 CA ARG A 616 40.437 8.103 13.490 1.00 86.40 C ATOM 283 C ARG A 616 40.878 6.673 13.825 1.00 84.70 C ATOM 284 O ARG A 616 41.949 6.514 14.442 1.00 88.57 O ATOM 285 CB ARG A 616 39.844 8.801 14.717 1.00 89.00 C ATOM 286 CG ARG A 616 39.754 7.917 15.952 1.00101.63 C ATOM 287 CD ARG A 616 40.338 8.577 17.186 1.00101.11 C ATOM 288 NE ARG A 616 39.446 9.580 17.750 1.00111.22 N ATOM 289 CZ ARG A 616 39.330 10.823 17.298 1.00113.01 C ATOM 290 NH1 ARG A 616 38.489 11.663 17.878 1.00106.70 N ATOM 291 NH2 ARG A 616 40.054 11.222 16.268 1.00118.41 N ATOM 292 HE ARG A 616 38.859 9.304 18.563 1.00 0.00 H ATOM 293 HH12 ARG A 616 38.399 12.636 17.523 1.00 0.00 H ATOM 294 HH11 ARG A 616 37.918 11.350 18.689 1.00 0.00 H ATOM 295 HH22 ARG A 616 39.963 12.196 15.914 1.00 0.00 H ATOM 296 HH21 ARG A 616 40.715 10.562 15.811 1.00 0.00 H ATOM 297 H ARG A 616 38.429 8.124 12.616 1.00 0.00 H ATOM 298 N ALA A 617 40.073 5.681 13.429 1.00 86.16 N ATOM 299 CA ALA A 617 40.390 4.257 13.686 1.00 83.87 C ATOM 300 C ALA A 617 41.397 3.763 12.641 1.00 78.01 C ATOM 301 O ALA A 617 42.088 2.761 12.910 1.00 87.53 O ATOM 302 CB ALA A 617 39.125 3.435 13.664 1.00 83.53 C ATOM 303 H ALA A 617 39.195 5.917 12.924 1.00 0.00 H ATOM 304 N ARG A 618 41.468 4.449 11.496 1.00 77.12 N ATOM 305 CA ARG A 618 42.409 4.072 10.405 1.00 79.64 C ATOM 306 C ARG A 618 43.755 4.766 10.644 1.00 83.91 C ATOM 307 O ARG A 618 44.729 4.423 9.945 1.00 76.01 O ATOM 308 CB ARG A 618 41.826 4.456 9.041 1.00 78.90 C ATOM 309 CG ARG A 618 40.656 3.589 8.599 1.00 74.28 C ATOM 310 CD ARG A 618 39.795 4.267 7.551 1.00 71.06 C ATOM 311 NE ARG A 618 40.545 4.606 6.350 1.00 66.63 N ATOM 312 CZ ARG A 618 40.157 5.499 5.447 1.00 57.95 C ATOM 313 NH1 ARG A 618 39.017 6.150 5.607 1.00 62.51 N ATOM 314 NH2 ARG A 618 40.909 5.738 4.387 1.00 63.47 N ATOM 315 HE ARG A 618 41.447 4.115 6.188 1.00 0.00 H ATOM 316 HH12 ARG A 618 38.714 6.849 4.899 1.00 0.00 H ATOM 317 HH11 ARG A 618 38.424 5.963 6.440 1.00 0.00 H ATOM 318 HH22 ARG A 618 40.604 6.438 3.680 1.00 0.00 H ATOM 319 HH21 ARG A 618 41.806 5.227 4.259 1.00 0.00 H ATOM 320 H ARG A 618 40.846 5.272 11.363 1.00 0.00 H ATOM 321 N GLU A 619 43.794 5.702 11.597 1.00 90.41 N ATOM 322 CA GLU A 619 45.039 6.445 11.928 1.00 91.03 C ATOM 323 C GLU A 619 45.559 5.972 13.291 1.00 90.39 C ATOM 324 O GLU A 619 46.426 6.661 13.865 1.00 95.58 O ATOM 325 CB GLU A 619 44.775 7.952 11.932 1.00 90.00 C ATOM 326 CG GLU A 619 44.461 8.514 10.557 1.00 97.71 C ATOM 327 CD GLU A 619 45.476 9.516 10.036 1.00108.06 C ATOM 328 OE1 GLU A 619 45.679 10.550 10.702 1.00101.72 O ATOM 329 OE2 GLU A 619 46.061 9.261 8.964 1.00112.35 O ATOM 330 H GLU A 619 42.924 5.918 12.125 1.00 0.00 H ATOM 331 N SER A 620 45.040 4.841 13.780 1.00 75.60 N ATOM 332 CA SER A 620 45.465 4.275 15.088 1.00 78.33 C ATOM 333 C SER A 620 46.283 3.000 14.856 1.00 77.99 C ATOM 334 O SER A 620 46.633 2.331 15.848 1.00 81.34 O ATOM 335 CB SER A 620 44.275 4.012 15.974 1.00 88.87 C ATOM 336 OG SER A 620 43.491 2.944 15.462 1.00 79.48 O ATOM 337 HG SER A 620 43.169 3.178 14.555 1.00 0.00 H ATOM 338 H SER A 620 44.315 4.340 13.227 1.00 0.00 H ATOM 339 N THR A 621 46.568 2.687 13.588 1.00 78.91 N ATOM 340 CA THR A 621 47.356 1.479 13.222 1.00 80.39 C ATOM 341 C THR A 621 47.997 1.693 11.846 1.00 83.53 C ATOM 342 O THR A 621 47.441 2.480 11.054 1.00 92.08 O ATOM 343 CB THR A 621 46.479 0.221 13.243 1.00 92.90 C ATOM 344 OG1 THR A 621 47.336 -0.918 13.161 1.00 96.38 O ATOM 345 CG2 THR A 621 45.472 0.186 12.114 1.00 94.65 C ATOM 346 HG1 THR A 621 46.789 -1.743 13.173 1.00 0.00 H ATOM 347 H THR A 621 46.226 3.311 12.829 1.00 0.00 H ATOM 348 N ASP A 622 49.113 1.032 11.577 1.00 90.27 N ATOM 349 CA ASP A 622 49.779 1.187 10.262 1.00 99.44 C ATOM 350 C ASP A 622 49.220 0.142 9.302 1.00106.19 C ATOM 351 O ASP A 622 49.810 -0.033 8.234 1.00107.95 O ATOM 352 CB ASP A 622 51.286 1.019 10.394 1.00112.28 C ATOM 353 CG ASP A 622 51.662 -0.125 11.311 1.00122.27 C ATOM 354 OD1 ASP A 622 51.563 0.051 12.537 1.00118.44 O ATOM 355 OD2 ASP A 622 52.049 -1.182 10.788 1.00132.09 O ATOM 356 H ASP A 622 49.525 0.400 12.293 1.00 0.00 H ATOM 357 N LYS A 623 48.140 -0.535 9.702 1.00104.77 N ATOM 358 CA LYS A 623 47.453 -1.555 8.870 1.00 94.38 C ATOM 359 C LYS A 623 45.961 -1.234 8.903 1.00 84.47 C ATOM 360 O LYS A 623 45.204 -1.993 9.507 1.00 69.94 O ATOM 361 CB LYS A 623 47.700 -2.952 9.435 1.00103.26 C ATOM 362 CG LYS A 623 48.912 -3.075 10.346 1.00106.21 C ATOM 363 CD LYS A 623 49.593 -4.410 10.248 1.00 99.73 C ATOM 364 CE LYS A 623 50.563 -4.493 9.094 1.00 95.75 C ATOM 365 NZ LYS A 623 51.061 -5.875 8.924 1.00 95.76 N ATOM 366 HZ1 LYS A 623 51.547 -6.177 9.793 1.00 0.00 H ATOM 367 HZ2 LYS A 623 50.260 -6.510 8.735 1.00 0.00 H ATOM 368 HZ3 LYS A 623 51.726 -5.907 8.125 1.00 0.00 H ATOM 369 H LYS A 623 47.759 -0.336 10.649 1.00 0.00 H ATOM 370 N PRO A 624 45.530 -0.124 8.281 1.00 77.12 N ATOM 371 CA PRO A 624 44.130 0.282 8.296 1.00 83.18 C ATOM 372 C PRO A 624 43.189 -0.789 7.730 1.00 79.02 C ATOM 373 O PRO A 624 42.102 -0.892 8.187 1.00 73.89 O ATOM 374 CB PRO A 624 44.112 1.578 7.482 1.00 77.36 C ATOM 375 CG PRO A 624 45.379 1.536 6.676 1.00 77.98 C ATOM 376 CD PRO A 624 46.371 0.771 7.516 1.00 76.74 C ATOM 377 N LEU A 625 43.652 -1.569 6.763 1.00 80.89 N ATOM 378 CA LEU A 625 42.814 -2.643 6.195 1.00 77.98 C ATOM 379 C LEU A 625 42.533 -3.688 7.276 1.00 84.49 C ATOM 380 O LEU A 625 41.369 -4.064 7.425 1.00 81.03 O ATOM 381 CB LEU A 625 43.572 -3.256 5.023 1.00 73.37 C ATOM 382 CG LEU A 625 43.661 -2.363 3.795 1.00 79.21 C ATOM 383 CD1 LEU A 625 44.746 -2.853 2.860 1.00 78.08 C ATOM 384 CD2 LEU A 625 42.331 -2.317 3.076 1.00 77.83 C ATOM 385 H LEU A 625 44.616 -1.423 6.401 1.00 0.00 H ATOM 386 N ASP A 626 43.563 -4.126 8.002 1.00 81.54 N ATOM 387 CA ASP A 626 43.384 -5.165 9.055 1.00 77.33 C ATOM 388 C ASP A 626 42.396 -4.692 10.129 1.00 79.09 C ATOM 389 O ASP A 626 41.574 -5.518 10.596 1.00 80.03 O ATOM 390 CB ASP A 626 44.714 -5.515 9.715 1.00 85.35 C ATOM 391 CG ASP A 626 45.618 -6.367 8.845 1.00 85.31 C ATOM 392 OD1 ASP A 626 45.101 -7.321 8.193 1.00 77.28 O ATOM 393 OD2 ASP A 626 46.829 -6.067 8.825 1.00 93.75 O ATOM 394 H ASP A 626 44.511 -3.734 7.829 1.00 0.00 H ATOM 395 N VAL A 627 42.491 -3.423 10.519 1.00 73.07 N ATOM 396 CA VAL A 627 41.551 -2.752 11.464 1.00 77.18 C ATOM 397 C VAL A 627 40.110 -2.850 10.928 1.00 78.88 C ATOM 398 O VAL A 627 39.216 -3.289 11.686 1.00 76.82 O ATOM 399 CB VAL A 627 41.969 -1.282 11.667 1.00 81.56 C ATOM 400 CG1 VAL A 627 40.899 -0.466 12.382 1.00 77.81 C ATOM 401 CG2 VAL A 627 43.301 -1.172 12.388 1.00 84.43 C ATOM 402 H VAL A 627 43.277 -2.858 10.138 1.00 0.00 H ATOM 403 N ALA A 628 39.880 -2.408 9.685 1.00 75.38 N ATOM 404 CA ALA A 628 38.547 -2.347 9.039 1.00 69.86 C ATOM 405 C ALA A 628 37.889 -3.738 9.071 1.00 66.46 C ATOM 406 O ALA A 628 36.735 -3.838 9.541 1.00 60.82 O ATOM 407 CB ALA A 628 38.694 -1.813 7.636 1.00 72.76 C ATOM 408 H ALA A 628 40.698 -2.083 9.131 1.00 0.00 H ATOM 409 N ALA A 629 38.620 -4.776 8.645 1.00 58.05 N ATOM 410 CA ALA A 629 38.178 -6.187 8.662 1.00 61.33 C ATOM 411 C ALA A 629 37.711 -6.571 10.075 1.00 69.90 C ATOM 412 O ALA A 629 36.674 -7.298 10.215 1.00 69.44 O ATOM 413 CB ALA A 629 39.303 -7.075 8.204 1.00 59.99 C ATOM 414 H ALA A 629 39.571 -4.575 8.274 1.00 0.00 H ATOM 415 N ALA A 630 38.452 -6.117 11.090 1.00 68.60 N ATOM 416 CA ALA A 630 38.198 -6.428 12.517 1.00 70.45 C ATOM 417 C ALA A 630 36.914 -5.732 12.964 1.00 60.82 C ATOM 418 O ALA A 630 36.117 -6.363 13.678 1.00 56.06 O ATOM 419 CB ALA A 630 39.364 -6.008 13.376 1.00 77.41 C ATOM 420 H ALA A 630 39.261 -5.504 10.864 1.00 0.00 H ATOM 421 N ILE A 631 36.729 -4.478 12.559 1.00 58.07 N ATOM 422 CA ILE A 631 35.459 -3.741 12.829 1.00 63.18 C ATOM 423 C ILE A 631 34.311 -4.587 12.246 1.00 62.68 C ATOM 424 O ILE A 631 33.394 -4.960 13.018 1.00 63.62 O ATOM 425 CB ILE A 631 35.537 -2.288 12.312 1.00 65.24 C ATOM 426 CG1 ILE A 631 36.553 -1.475 13.127 1.00 65.30 C ATOM 427 CG2 ILE A 631 34.169 -1.624 12.318 1.00 62.28 C ATOM 428 CD1 ILE A 631 37.083 -0.237 12.436 1.00 67.32 C ATOM 429 H ILE A 631 37.491 -3.997 12.039 1.00 0.00 H ATOM 430 N ALA A 632 34.426 -4.995 10.977 1.00 56.05 N ATOM 431 CA ALA A 632 33.404 -5.787 10.263 1.00 51.31 C ATOM 432 C ALA A 632 33.156 -7.088 11.022 1.00 51.59 C ATOM 433 O ALA A 632 31.973 -7.396 11.296 1.00 49.56 O ATOM 434 CB ALA A 632 33.837 -6.033 8.834 1.00 52.43 C ATOM 435 H ALA A 632 35.291 -4.738 10.460 1.00 0.00 H ATOM 436 N TYR A 633 34.229 -7.826 11.324 1.00 54.91 N ATOM 437 CA TYR A 633 34.201 -9.086 12.109 1.00 57.42 C ATOM 438 C TYR A 633 33.444 -8.864 13.430 1.00 64.17 C ATOM 439 O TYR A 633 32.496 -9.632 13.754 1.00 59.74 O ATOM 440 CB TYR A 633 35.631 -9.562 12.338 1.00 66.31 C ATOM 441 CG TYR A 633 35.782 -10.923 12.973 1.00 75.18 C ATOM 442 CD1 TYR A 633 35.281 -12.060 12.363 1.00 73.06 C ATOM 443 CD2 TYR A 633 36.494 -11.083 14.155 1.00 77.53 C ATOM 444 CE1 TYR A 633 35.448 -13.313 12.928 1.00 80.23 C ATOM 445 CE2 TYR A 633 36.676 -12.328 14.729 1.00 76.90 C ATOM 446 CZ TYR A 633 36.156 -13.449 14.111 1.00 85.92 C ATOM 447 OH TYR A 633 36.327 -14.677 14.682 1.00 92.24 O ATOM 448 HH TYR A 633 35.913 -14.682 15.581 1.00 0.00 H ATOM 449 H TYR A 633 35.153 -7.492 10.983 1.00 0.00 H ATOM 450 N ARG A 634 33.821 -7.830 14.184 1.00 61.07 N ATOM 451 CA ARG A 634 33.277 -7.628 15.545 1.00 62.81 C ATOM 452 C ARG A 634 31.801 -7.306 15.406 1.00 67.89 C ATOM 453 O ARG A 634 30.988 -7.897 16.176 1.00 69.73 O ATOM 454 CB ARG A 634 33.920 -6.481 16.325 1.00 73.70 C ATOM 455 CG ARG A 634 33.114 -6.106 17.570 1.00 86.82 C ATOM 456 CD ARG A 634 33.795 -5.242 18.616 1.00 86.23 C ATOM 457 NE ARG A 634 35.148 -5.704 18.891 1.00 89.75 N ATOM 458 CZ ARG A 634 36.059 -5.014 19.564 1.00 90.61 C ATOM 459 NH1 ARG A 634 35.767 -3.818 20.053 1.00 81.22 N ATOM 460 NH2 ARG A 634 37.268 -5.525 19.727 1.00 96.98 N ATOM 461 HE ARG A 634 35.420 -6.642 18.534 1.00 0.00 H ATOM 462 HH12 ARG A 634 36.486 -3.282 20.580 1.00 0.00 H ATOM 463 HH11 ARG A 634 34.819 -3.415 19.910 1.00 0.00 H ATOM 464 HH22 ARG A 634 37.991 -4.993 20.253 1.00 0.00 H ATOM 465 HH21 ARG A 634 37.496 -6.459 19.329 1.00 0.00 H ATOM 466 H ARG A 634 34.513 -7.151 13.807 1.00 0.00 H ATOM 467 N LEU A 635 31.490 -6.378 14.495 1.00 61.29 N ATOM 468 CA LEU A 635 30.097 -6.009 14.138 1.00 61.92 C ATOM 469 C LEU A 635 29.306 -7.292 13.877 1.00 59.66 C ATOM 470 O LEU A 635 28.263 -7.503 14.539 1.00 64.99 O ATOM 471 CB LEU A 635 30.106 -5.101 12.909 1.00 68.30 C ATOM 472 CG LEU A 635 30.269 -3.619 13.203 1.00 69.98 C ATOM 473 CD1 LEU A 635 30.450 -2.848 11.906 1.00 72.27 C ATOM 474 CD2 LEU A 635 29.075 -3.094 13.994 1.00 69.48 C ATOM 475 H LEU A 635 32.268 -5.887 14.009 1.00 0.00 H ATOM 476 N LEU A 636 29.820 -8.165 13.010 1.00 55.98 N ATOM 477 CA LEU A 636 29.052 -9.361 12.588 1.00 62.19 C ATOM 478 C LEU A 636 28.870 -10.346 13.764 1.00 61.95 C ATOM 479 O LEU A 636 27.731 -10.804 13.968 1.00 56.35 O ATOM 480 CB LEU A 636 29.716 -9.970 11.348 1.00 65.21 C ATOM 481 CG LEU A 636 29.049 -9.598 10.021 1.00 61.37 C ATOM 482 CD1 LEU A 636 27.623 -10.118 9.970 1.00 64.88 C ATOM 483 CD2 LEU A 636 29.046 -8.103 9.788 1.00 57.76 C ATOM 484 H LEU A 636 30.773 -8.005 12.625 1.00 0.00 H ATOM 485 N LEU A 637 29.912 -10.641 14.545 1.00 62.88 N ATOM 486 CA LEU A 637 29.793 -11.552 15.722 1.00 64.93 C ATOM 487 C LEU A 637 28.872 -10.973 16.803 1.00 67.47 C ATOM 488 O LEU A 637 27.948 -11.697 17.227 1.00 69.32 O ATOM 489 CB LEU A 637 31.179 -11.832 16.290 1.00 68.42 C ATOM 490 CG LEU A 637 32.042 -12.729 15.408 1.00 66.80 C ATOM 491 CD1 LEU A 637 33.415 -12.948 16.033 1.00 73.98 C ATOM 492 CD2 LEU A 637 31.345 -14.052 15.147 1.00 69.53 C ATOM 493 H LEU A 637 30.838 -10.222 14.326 1.00 0.00 H ATOM 494 N GLY A 638 29.073 -9.715 17.190 1.00 59.28 N ATOM 495 CA GLY A 638 28.338 -9.056 18.292 1.00 62.59 C ATOM 496 C GLY A 638 26.839 -8.918 18.060 1.00 66.96 C ATOM 497 O GLY A 638 26.098 -8.776 19.069 1.00 64.19 O ATOM 498 H GLY A 638 29.793 -9.160 16.685 1.00 0.00 H ATOM 499 N SER A 639 26.395 -8.936 16.799 1.00 67.26 N ATOM 500 CA SER A 639 24.965 -9.038 16.392 1.00 58.76 C ATOM 501 C SER A 639 24.365 -10.361 16.900 1.00 65.06 C ATOM 502 O SER A 639 23.100 -10.426 17.114 1.00 53.01 O ATOM 503 CB SER A 639 24.854 -8.967 14.898 1.00 58.04 C ATOM 504 OG SER A 639 25.282 -10.197 14.317 1.00 54.80 O ATOM 505 HG SER A 639 26.225 -10.368 14.566 1.00 0.00 H ATOM 506 H SER A 639 27.105 -8.874 16.041 1.00 0.00 H ATOM 507 N GLY A 640 25.224 -11.393 17.009 1.00 58.46 N ATOM 508 CA GLY A 640 24.838 -12.762 17.392 1.00 59.85 C ATOM 509 C GLY A 640 24.156 -13.483 16.242 1.00 65.35 C ATOM 510 O GLY A 640 23.533 -14.532 16.492 1.00 63.39 O ATOM 511 H GLY A 640 26.228 -11.211 16.809 1.00 0.00 H ATOM 512 N LEU A 641 24.240 -12.956 15.012 1.00 65.51 N ATOM 513 CA LEU A 641 23.474 -13.517 13.859 1.00 53.37 C ATOM 514 C LEU A 641 24.260 -14.643 13.180 1.00 47.58 C ATOM 515 O LEU A 641 23.718 -15.732 12.966 1.00 49.09 O ATOM 516 CB LEU A 641 23.079 -12.400 12.896 1.00 45.48 C ATOM 517 CG LEU A 641 22.148 -11.347 13.494 1.00 45.13 C ATOM 518 CD1 LEU A 641 22.149 -10.103 12.645 1.00 47.37 C ATOM 519 CD2 LEU A 641 20.731 -11.866 13.638 1.00 45.92 C ATOM 520 H LEU A 641 24.856 -12.133 14.856 1.00 0.00 H ATOM 521 N PRO A 642 25.544 -14.482 12.816 1.00 42.01 N ATOM 522 CA PRO A 642 26.221 -15.547 12.066 1.00 46.55 C ATOM 523 C PRO A 642 26.030 -16.940 12.705 1.00 55.93 C ATOM 524 O PRO A 642 25.588 -17.869 12.039 1.00 61.93 O ATOM 525 CB PRO A 642 27.681 -15.080 12.011 1.00 44.82 C ATOM 526 CG PRO A 642 27.611 -13.575 12.159 1.00 43.51 C ATOM 527 CD PRO A 642 26.376 -13.294 13.014 1.00 44.59 C ATOM 528 N GLN A 643 26.255 -17.035 14.012 1.00 63.16 N ATOM 529 CA GLN A 643 26.212 -18.293 14.807 1.00 68.96 C ATOM 530 C GLN A 643 24.835 -18.966 14.646 1.00 63.59 C ATOM 531 O GLN A 643 24.786 -20.192 14.379 1.00 61.31 O ATOM 532 CB GLN A 643 26.570 -17.981 16.272 1.00 81.40 C ATOM 533 CG GLN A 643 27.884 -17.210 16.454 1.00 90.42 C ATOM 534 CD GLN A 643 27.709 -15.712 16.620 1.00104.21 C ATOM 535 OE1 GLN A 643 26.991 -15.046 15.868 1.00105.96 O ATOM 536 NE2 GLN A 643 28.371 -15.155 17.623 1.00101.22 N ATOM 537 HE22 GLN A 643 28.969 -15.741 18.241 1.00 0.00 H ATOM 538 HE21 GLN A 643 28.293 -14.132 17.793 1.00 0.00 H ATOM 539 H GLN A 643 26.480 -16.157 14.522 1.00 0.00 H ATOM 540 N LYS A 644 23.749 -18.200 14.790 1.00 53.37 N ATOM 541 CA LYS A 644 22.356 -18.673 14.579 1.00 49.01 C ATOM 542 C LYS A 644 22.186 -19.266 13.165 1.00 54.32 C ATOM 543 O LYS A 644 21.296 -20.113 13.000 1.00 50.96 O ATOM 544 CB LYS A 644 21.369 -17.518 14.768 1.00 53.09 C ATOM 545 CG LYS A 644 21.281 -16.958 16.184 1.00 59.04 C ATOM 546 CD LYS A 644 20.345 -15.758 16.341 1.00 62.95 C ATOM 547 CE LYS A 644 19.538 -15.792 17.634 1.00 66.80 C ATOM 548 NZ LYS A 644 19.631 -14.533 18.412 1.00 63.51 N ATOM 549 HZ1 LYS A 644 20.624 -14.356 18.665 1.00 0.00 H ATOM 550 HZ2 LYS A 644 19.272 -13.744 17.837 1.00 0.00 H ATOM 551 HZ3 LYS A 644 19.062 -14.619 19.278 1.00 0.00 H ATOM 552 H LYS A 644 23.888 -17.208 15.068 1.00 0.00 H ATOM 553 N PHE A 645 22.946 -18.834 12.148 1.00 45.72 N ATOM 554 CA PHE A 645 22.728 -19.331 10.761 1.00 54.20 C ATOM 555 C PHE A 645 23.902 -20.228 10.346 1.00 54.12 C ATOM 556 O PHE A 645 24.204 -20.306 9.157 1.00 60.50 O ATOM 557 CB PHE A 645 22.412 -18.173 9.808 1.00 47.99 C ATOM 558 CG PHE A 645 21.146 -17.438 10.187 1.00 44.38 C ATOM 559 CD1 PHE A 645 19.912 -18.054 10.080 1.00 43.40 C ATOM 560 CD2 PHE A 645 21.188 -16.151 10.689 1.00 43.29 C ATOM 561 CE1 PHE A 645 18.751 -17.387 10.438 1.00 44.38 C ATOM 562 CE2 PHE A 645 20.026 -15.482 11.044 1.00 43.30 C ATOM 563 CZ PHE A 645 18.806 -16.103 10.914 1.00 42.08 C ATOM 564 H PHE A 645 23.700 -18.141 12.331 1.00 0.00 H ATOM 565 N GLY A 646 24.494 -20.933 11.317 1.00 55.24 N ATOM 566 CA GLY A 646 25.559 -21.934 11.104 1.00 54.42 C ATOM 567 C GLY A 646 26.725 -21.355 10.333 1.00 48.65 C ATOM 568 O GLY A 646 27.376 -22.070 9.596 1.00 53.51 O ATOM 569 H GLY A 646 24.181 -20.764 12.294 1.00 0.00 H ATOM 570 N CYS A 647 26.983 -20.076 10.488 1.00 52.93 N ATOM 571 CA CYS A 647 28.160 -19.436 9.874 1.00 58.66 C ATOM 572 C CYS A 647 29.199 -19.307 10.968 1.00 59.10 C ATOM 573 O CYS A 647 28.984 -18.491 11.868 1.00 60.21 O ATOM 574 CB CYS A 647 27.851 -18.066 9.299 1.00 54.37 C ATOM 575 SG CYS A 647 29.347 -17.314 8.625 1.00 60.47 S ATOM 576 H CYS A 647 26.337 -19.497 11.062 1.00 0.00 H ATOM 577 N SER A 648 30.222 -20.144 10.891 1.00 66.69 N ATOM 578 CA SER A 648 31.390 -20.190 11.801 1.00 67.67 C ATOM 579 C SER A 648 32.075 -18.825 11.817 1.00 70.39 C ATOM 580 O SER A 648 31.924 -18.068 10.820 1.00 69.74 O ATOM 581 CB SER A 648 32.370 -21.252 11.348 1.00 64.96 C ATOM 582 OG SER A 648 33.121 -20.770 10.246 1.00 54.15 O ATOM 583 HG SER A 648 33.618 -19.958 10.517 1.00 0.00 H ATOM 584 H SER A 648 30.204 -20.837 10.116 1.00 0.00 H ATOM 585 N ASP A 649 32.831 -18.560 12.887 1.00 66.43 N ATOM 586 CA ASP A 649 33.770 -17.414 12.993 1.00 65.61 C ATOM 587 C ASP A 649 34.765 -17.461 11.826 1.00 64.10 C ATOM 588 O ASP A 649 35.079 -16.404 11.287 1.00 67.31 O ATOM 589 CB ASP A 649 34.493 -17.418 14.340 1.00 73.53 C ATOM 590 CG ASP A 649 33.624 -17.057 15.537 1.00 83.84 C ATOM 591 OD1 ASP A 649 32.411 -17.382 15.528 1.00 79.71 O ATOM 592 OD2 ASP A 649 34.173 -16.453 16.482 1.00 97.19 O ATOM 593 H ASP A 649 32.757 -19.201 13.702 1.00 0.00 H ATOM 594 N GLU A 650 35.236 -18.645 11.437 1.00 68.72 N ATOM 595 CA GLU A 650 36.302 -18.802 10.412 1.00 73.45 C ATOM 596 C GLU A 650 35.750 -18.429 9.022 1.00 67.15 C ATOM 597 O GLU A 650 36.416 -17.669 8.284 1.00 56.92 O ATOM 598 CB GLU A 650 36.823 -20.242 10.453 1.00 80.23 C ATOM 599 CG GLU A 650 38.109 -20.465 9.667 1.00 88.79 C ATOM 600 CD GLU A 650 38.503 -21.925 9.471 1.00 94.61 C ATOM 601 OE1 GLU A 650 39.713 -22.201 9.419 1.00 98.33 O ATOM 602 OE2 GLU A 650 37.602 -22.787 9.356 1.00 96.66 O ATOM 603 H GLU A 650 34.838 -19.502 11.872 1.00 0.00 H ATOM 604 N VAL A 651 34.588 -18.976 8.657 1.00 62.06 N ATOM 605 CA VAL A 651 33.938 -18.712 7.345 1.00 66.44 C ATOM 606 C VAL A 651 33.698 -17.201 7.260 1.00 63.52 C ATOM 607 O VAL A 651 34.092 -16.587 6.244 1.00 54.60 O ATOM 608 CB VAL A 651 32.624 -19.504 7.184 1.00 76.49 C ATOM 609 CG1 VAL A 651 31.809 -18.999 5.995 1.00 74.87 C ATOM 610 CG2 VAL A 651 32.852 -21.010 7.085 1.00 72.54 C ATOM 611 H VAL A 651 34.114 -19.619 9.323 1.00 0.00 H ATOM 612 N LEU A 652 33.109 -16.626 8.316 1.00 62.80 N ATOM 613 CA LEU A 652 32.744 -15.189 8.370 1.00 61.69 C ATOM 614 C LEU A 652 33.958 -14.331 8.036 1.00 54.42 C ATOM 615 O LEU A 652 33.792 -13.297 7.427 1.00 65.48 O ATOM 616 CB LEU A 652 32.220 -14.814 9.759 1.00 64.99 C ATOM 617 CG LEU A 652 31.879 -13.328 9.903 1.00 65.09 C ATOM 618 CD1 LEU A 652 30.534 -13.035 9.270 1.00 67.99 C ATOM 619 CD2 LEU A 652 31.895 -12.876 11.347 1.00 69.94 C ATOM 620 H LEU A 652 32.896 -17.219 9.143 1.00 0.00 H ATOM 621 N LEU A 653 35.130 -14.701 8.522 1.00 70.34 N ATOM 622 CA LEU A 653 36.359 -13.878 8.379 1.00 71.19 C ATOM 623 C LEU A 653 36.953 -14.164 6.998 1.00 63.85 C ATOM 624 O LEU A 653 37.515 -13.243 6.378 1.00 57.80 O ATOM 625 CB LEU A 653 37.302 -14.233 9.534 1.00 75.07 C ATOM 626 CG LEU A 653 38.580 -13.405 9.680 1.00 79.55 C ATOM 627 CD1 LEU A 653 38.316 -11.908 9.660 1.00 78.12 C ATOM 628 CD2 LEU A 653 39.279 -13.790 10.972 1.00 81.11 C ATOM 629 H LEU A 653 35.195 -15.608 9.027 1.00 0.00 H ATOM 630 N ASN A 654 36.811 -15.396 6.515 1.00 63.01 N ATOM 631 CA ASN A 654 37.207 -15.729 5.124 1.00 71.87 C ATOM 632 C ASN A 654 36.447 -14.775 4.198 1.00 72.10 C ATOM 633 O ASN A 654 37.082 -14.067 3.392 1.00 60.81 O ATOM 634 CB ASN A 654 36.898 -17.185 4.765 1.00 78.76 C ATOM 635 CG ASN A 654 37.807 -18.196 5.433 1.00 72.65 C ATOM 636 OD1 ASN A 654 38.955 -17.910 5.755 1.00 71.46 O ATOM 637 ND2 ASN A 654 37.300 -19.398 5.618 1.00 73.52 N ATOM 638 HD22 ASN A 654 36.321 -19.599 5.330 1.00 0.00 H ATOM 639 HD21 ASN A 654 37.879 -20.145 6.052 1.00 0.00 H ATOM 640 H ASN A 654 36.415 -16.140 7.124 1.00 0.00 H ATOM 641 N PHE A 655 35.125 -14.733 4.375 1.00 73.73 N ATOM 642 CA PHE A 655 34.187 -13.901 3.583 1.00 70.34 C ATOM 643 C PHE A 655 34.655 -12.439 3.585 1.00 65.29 C ATOM 644 O PHE A 655 34.774 -11.844 2.500 1.00 67.81 O ATOM 645 CB PHE A 655 32.749 -14.015 4.099 1.00 64.08 C ATOM 646 CG PHE A 655 31.841 -12.991 3.471 1.00 62.33 C ATOM 647 CD1 PHE A 655 31.498 -13.079 2.134 1.00 64.03 C ATOM 648 CD2 PHE A 655 31.416 -11.890 4.187 1.00 63.18 C ATOM 649 CE1 PHE A 655 30.701 -12.116 1.541 1.00 65.40 C ATOM 650 CE2 PHE A 655 30.616 -10.925 3.595 1.00 68.74 C ATOM 651 CZ PHE A 655 30.249 -11.047 2.276 1.00 67.30 C ATOM 652 H PHE A 655 34.722 -15.329 5.126 1.00 0.00 H ATOM 653 N ILE A 656 34.902 -11.869 4.762 1.00 56.32 N ATOM 654 CA ILE A 656 35.254 -10.424 4.898 1.00 58.36 C ATOM 655 C ILE A 656 36.527 -10.167 4.082 1.00 56.68 C ATOM 656 O ILE A 656 36.597 -9.141 3.409 1.00 62.27 O ATOM 657 CB ILE A 656 35.386 -10.019 6.385 1.00 54.44 C ATOM 658 CG1 ILE A 656 34.042 -10.114 7.110 1.00 58.19 C ATOM 659 CG2 ILE A 656 35.992 -8.637 6.528 1.00 58.06 C ATOM 660 CD1 ILE A 656 34.125 -9.977 8.616 1.00 59.52 C ATOM 661 H ILE A 656 34.848 -12.453 5.621 1.00 0.00 H ATOM 662 N LEU A 657 37.498 -11.082 4.141 1.00 70.15 N ATOM 663 CA LEU A 657 38.846 -10.910 3.530 1.00 63.25 C ATOM 664 C LEU A 657 38.776 -11.142 2.025 1.00 57.08 C ATOM 665 O LEU A 657 39.473 -10.408 1.300 1.00 59.67 O ATOM 666 CB LEU A 657 39.822 -11.870 4.208 1.00 69.41 C ATOM 667 CG LEU A 657 40.204 -11.462 5.627 1.00 75.49 C ATOM 668 CD1 LEU A 657 41.046 -12.530 6.292 1.00 82.19 C ATOM 669 CD2 LEU A 657 40.938 -10.130 5.626 1.00 78.63 C ATOM 670 H LEU A 657 37.301 -11.970 4.645 1.00 0.00 H ATOM 671 N GLN A 658 37.962 -12.103 1.576 1.00 51.68 N ATOM 672 CA GLN A 658 37.605 -12.244 0.141 1.00 59.55 C ATOM 673 C GLN A 658 36.980 -10.938 -0.385 1.00 66.44 C ATOM 674 O GLN A 658 37.315 -10.559 -1.538 1.00 67.77 O ATOM 675 CB GLN A 658 36.655 -13.420 -0.086 1.00 61.96 C ATOM 676 CG GLN A 658 37.298 -14.789 0.105 1.00 69.56 C ATOM 677 CD GLN A 658 38.440 -15.092 -0.837 1.00 68.69 C ATOM 678 OE1 GLN A 658 38.808 -14.284 -1.693 1.00 84.04 O ATOM 679 NE2 GLN A 658 39.017 -16.275 -0.684 1.00 59.10 N ATOM 680 HE22 GLN A 658 38.677 -16.928 0.050 1.00 0.00 H ATOM 681 HE21 GLN A 658 39.810 -16.550 -1.298 1.00 0.00 H ATOM 682 H GLN A 658 37.563 -12.779 2.259 1.00 0.00 H ATOM 683 N CYS A 659 36.096 -10.286 0.396 1.00 64.54 N ATOM 684 CA CYS A 659 35.442 -8.998 0.019 1.00 62.95 C ATOM 685 C CYS A 659 36.509 -7.917 -0.118 1.00 61.50 C ATOM 686 O CYS A 659 36.535 -7.268 -1.186 1.00 62.94 O ATOM 687 CB CYS A 659 34.379 -8.534 1.009 1.00 57.64 C ATOM 688 SG CYS A 659 32.855 -9.498 0.900 1.00 56.89 S ATOM 689 H CYS A 659 35.855 -10.705 1.317 1.00 0.00 H ATOM 690 N ARG A 660 37.345 -7.757 0.915 1.00 58.32 N ATOM 691 CA ARG A 660 38.359 -6.669 1.015 1.00 61.13 C ATOM 692 C ARG A 660 39.330 -6.746 -0.166 1.00 60.72 C ATOM 693 O ARG A 660 39.809 -5.682 -0.627 1.00 60.82 O ATOM 694 CB ARG A 660 39.135 -6.788 2.330 1.00 65.09 C ATOM 695 CG ARG A 660 40.295 -5.813 2.465 1.00 67.83 C ATOM 696 CD ARG A 660 41.004 -5.973 3.793 1.00 73.19 C ATOM 697 NE ARG A 660 41.927 -7.102 3.812 1.00 76.38 N ATOM 698 CZ ARG A 660 42.621 -7.497 4.877 1.00 71.25 C ATOM 699 NH1 ARG A 660 42.488 -6.876 6.036 1.00 70.29 N ATOM 700 NH2 ARG A 660 43.445 -8.524 4.773 1.00 68.64 N ATOM 701 HE ARG A 660 42.052 -7.637 2.929 1.00 0.00 H ATOM 702 HH12 ARG A 660 43.035 -7.193 6.862 1.00 0.00 H ATOM 703 HH11 ARG A 660 41.836 -6.070 6.122 1.00 0.00 H ATOM 704 HH22 ARG A 660 43.991 -8.839 5.600 1.00 0.00 H ATOM 705 HH21 ARG A 660 43.548 -9.018 3.864 1.00 0.00 H ATOM 706 H ARG A 660 37.283 -8.437 1.700 1.00 0.00 H ATOM 707 N LYS A 661 39.635 -7.967 -0.604 1.00 61.67 N ATOM 708 CA LYS A 661 40.571 -8.227 -1.727 1.00 71.33 C ATOM 709 C LYS A 661 40.015 -7.613 -3.011 1.00 66.88 C ATOM 710 O LYS A 661 40.816 -7.204 -3.855 1.00 62.17 O ATOM 711 CB LYS A 661 40.812 -9.732 -1.896 1.00 74.38 C ATOM 712 CG LYS A 661 41.895 -10.286 -0.986 1.00 80.06 C ATOM 713 CD LYS A 661 42.284 -11.716 -1.277 1.00 87.88 C ATOM 714 CE LYS A 661 43.412 -12.178 -0.375 1.00 87.38 C ATOM 715 NZ LYS A 661 43.717 -13.608 -0.602 1.00 86.99 N ATOM 716 HZ1 LYS A 661 42.871 -14.178 -0.399 1.00 0.00 H ATOM 717 HZ2 LYS A 661 44.001 -13.748 -1.593 1.00 0.00 H ATOM 718 HZ3 LYS A 661 44.492 -13.900 0.027 1.00 0.00 H ATOM 719 H LYS A 661 39.193 -8.783 -0.134 1.00 0.00 H ATOM 720 N LYS A 662 38.692 -7.562 -3.158 1.00 70.60 N ATOM 721 CA LYS A 662 38.056 -7.181 -4.443 1.00 70.61 C ATOM 722 C LYS A 662 37.753 -5.679 -4.447 1.00 62.55 C ATOM 723 O LYS A 662 37.278 -5.213 -5.478 1.00 64.10 O ATOM 724 CB LYS A 662 36.849 -8.078 -4.728 1.00 71.26 C ATOM 725 CG LYS A 662 37.207 -9.553 -4.856 1.00 77.75 C ATOM 726 CD LYS A 662 36.507 -10.310 -5.979 1.00 88.52 C ATOM 727 CE LYS A 662 37.372 -11.397 -6.598 1.00 92.62 C ATOM 728 NZ LYS A 662 36.571 -12.541 -7.103 1.00 98.22 N ATOM 729 HZ1 LYS A 662 36.038 -12.964 -6.316 1.00 0.00 H ATOM 730 HZ2 LYS A 662 35.909 -12.204 -7.831 1.00 0.00 H ATOM 731 HZ3 LYS A 662 37.207 -13.253 -7.515 1.00 0.00 H ATOM 732 H LYS A 662 38.086 -7.797 -2.346 1.00 0.00 H ATOM 733 N TYR A 663 38.086 -4.927 -3.395 1.00 56.36 N ATOM 734 CA TYR A 663 37.932 -3.444 -3.404 1.00 60.64 C ATOM 735 C TYR A 663 39.258 -2.838 -3.825 1.00 60.54 C ATOM 736 O TYR A 663 40.287 -3.525 -3.717 1.00 67.53 O ATOM 737 CB TYR A 663 37.419 -2.873 -2.071 1.00 58.25 C ATOM 738 CG TYR A 663 35.969 -3.211 -1.827 1.00 55.98 C ATOM 739 CD1 TYR A 663 34.952 -2.414 -2.330 1.00 50.74 C ATOM 740 CD2 TYR A 663 35.616 -4.390 -1.188 1.00 51.33 C ATOM 741 CE1 TYR A 663 33.622 -2.761 -2.154 1.00 48.66 C ATOM 742 CE2 TYR A 663 34.292 -4.732 -0.971 1.00 48.91 C ATOM 743 CZ TYR A 663 33.289 -3.913 -1.462 1.00 49.10 C ATOM 744 OH TYR A 663 31.979 -4.281 -1.296 1.00 50.00 O ATOM 745 HH TYR A 663 31.780 -4.361 -0.330 1.00 0.00 H ATOM 746 H TYR A 663 38.464 -5.390 -2.544 1.00 0.00 H ATOM 747 N ARG A 664 39.223 -1.589 -4.276 1.00 64.60 N ATOM 748 CA ARG A 664 40.386 -0.935 -4.916 1.00 66.00 C ATOM 749 C ARG A 664 40.844 0.295 -4.147 1.00 67.35 C ATOM 750 O ARG A 664 40.062 0.859 -3.365 1.00 73.98 O ATOM 751 CB ARG A 664 40.019 -0.571 -6.347 1.00 66.57 C ATOM 752 CG ARG A 664 39.967 -1.808 -7.218 1.00 72.37 C ATOM 753 CD ARG A 664 40.056 -1.432 -8.669 1.00 85.29 C ATOM 754 NE ARG A 664 39.849 -2.631 -9.453 1.00 93.71 N ATOM 755 CZ ARG A 664 39.820 -2.655 -10.771 1.00 98.49 C ATOM 756 NH1 ARG A 664 39.986 -1.530 -11.448 1.00100.20 N ATOM 757 NH2 ARG A 664 39.617 -3.802 -11.397 1.00101.41 N ATOM 758 HE ARG A 664 39.715 -3.529 -8.946 1.00 0.00 H ATOM 759 HH12 ARG A 664 39.964 -1.541 -12.488 1.00 0.00 H ATOM 760 HH11 ARG A 664 40.138 -0.635 -10.940 1.00 0.00 H ATOM 761 HH22 ARG A 664 39.593 -3.830 -12.436 1.00 0.00 H ATOM 762 HH21 ARG A 664 39.482 -4.676 -10.850 1.00 0.00 H ATOM 763 H ARG A 664 38.341 -1.048 -4.175 1.00 0.00 H ATOM 764 N ASN A 665 42.090 0.680 -4.401 1.00 75.15 N ATOM 765 CA ASN A 665 42.705 1.913 -3.857 1.00 77.74 C ATOM 766 C ASN A 665 42.158 3.086 -4.689 1.00 68.78 C ATOM 767 O ASN A 665 42.861 3.532 -5.589 1.00 77.52 O ATOM 768 CB ASN A 665 44.232 1.748 -3.798 1.00 70.28 C ATOM 769 CG ASN A 665 44.943 2.980 -3.282 1.00 74.06 C ATOM 770 OD1 ASN A 665 44.337 3.833 -2.644 1.00 72.06 O ATOM 771 ND2 ASN A 665 46.223 3.101 -3.584 1.00 71.45 N ATOM 772 HD22 ASN A 665 46.702 2.355 -4.127 1.00 0.00 H ATOM 773 HD21 ASN A 665 46.752 3.943 -3.278 1.00 0.00 H ATOM 774 H ASN A 665 42.670 0.078 -5.020 1.00 0.00 H ATOM 775 N VAL A 666 40.932 3.540 -4.398 1.00 65.23 N ATOM 776 CA VAL A 666 40.323 4.814 -4.916 1.00 66.40 C ATOM 777 C VAL A 666 39.919 5.713 -3.736 1.00 59.33 C ATOM 778 O VAL A 666 39.842 5.270 -2.594 1.00 56.88 O ATOM 779 CB VAL A 666 39.125 4.527 -5.846 1.00 64.99 C ATOM 780 CG1 VAL A 666 39.542 3.686 -7.038 1.00 68.20 C ATOM 781 CG2 VAL A 666 37.959 3.865 -5.112 1.00 63.38 C ATOM 782 H VAL A 666 40.351 2.961 -3.758 1.00 0.00 H ATOM 783 N PRO A 667 39.624 7.012 -3.945 1.00 56.54 N ATOM 784 CA PRO A 667 39.350 7.912 -2.822 1.00 61.57 C ATOM 785 C PRO A 667 38.162 7.531 -1.915 1.00 65.14 C ATOM 786 O PRO A 667 38.306 7.746 -0.721 1.00 59.45 O ATOM 787 CB PRO A 667 39.054 9.255 -3.494 1.00 60.54 C ATOM 788 CG PRO A 667 39.761 9.148 -4.823 1.00 64.17 C ATOM 789 CD PRO A 667 39.590 7.701 -5.238 1.00 58.12 C ATOM 790 N TYR A 668 37.042 7.023 -2.464 1.00 58.99 N ATOM 791 CA TYR A 668 35.747 6.890 -1.724 1.00 59.73 C ATOM 792 C TYR A 668 35.234 5.443 -1.716 1.00 50.17 C ATOM 793 O TYR A 668 35.102 4.858 -0.635 1.00 53.89 O ATOM 794 CB TYR A 668 34.668 7.822 -2.288 1.00 59.17 C ATOM 795 CG TYR A 668 33.376 7.797 -1.508 1.00 62.16 C ATOM 796 CD1 TYR A 668 33.204 8.563 -0.367 1.00 61.32 C ATOM 797 CD2 TYR A 668 32.313 7.005 -1.906 1.00 60.89 C ATOM 798 CE1 TYR A 668 32.015 8.555 0.343 1.00 57.42 C ATOM 799 CE2 TYR A 668 31.117 6.980 -1.204 1.00 60.19 C ATOM 800 CZ TYR A 668 30.966 7.755 -0.068 1.00 55.83 C ATOM 801 OH TYR A 668 29.783 7.737 0.618 1.00 55.78 O ATOM 802 HH TYR A 668 29.846 8.343 1.398 1.00 0.00 H ATOM 803 H TYR A 668 37.078 6.706 -3.454 1.00 0.00 H ATOM 804 N HIS A 669 34.963 4.892 -2.892 1.00 45.94 N ATOM 805 CA HIS A 669 34.356 3.559 -3.056 1.00 46.06 C ATOM 806 C HIS A 669 35.420 2.502 -2.851 1.00 49.26 C ATOM 807 O HIS A 669 35.580 1.658 -3.740 1.00 52.67 O ATOM 808 CB HIS A 669 33.668 3.435 -4.411 1.00 47.91 C ATOM 809 CG HIS A 669 32.446 4.284 -4.504 1.00 43.69 C ATOM 810 ND1 HIS A 669 32.359 5.327 -5.369 1.00 38.66 N ATOM 811 CD2 HIS A 669 31.272 4.237 -3.833 1.00 44.89 C ATOM 812 CE1 HIS A 669 31.169 5.889 -5.271 1.00 45.70 C ATOM 813 NE2 HIS A 669 30.471 5.239 -4.318 1.00 48.11 N ATOM 814 H HIS A 669 35.193 5.433 -3.750 1.00 0.00 H ATOM 815 N ASN A 670 36.060 2.542 -1.690 1.00 48.72 N ATOM 816 CA ASN A 670 37.067 1.547 -1.253 1.00 51.61 C ATOM 817 C ASN A 670 36.437 0.740 -0.127 1.00 54.22 C ATOM 818 O ASN A 670 35.248 0.947 0.144 1.00 51.48 O ATOM 819 CB ASN A 670 38.355 2.239 -0.811 1.00 59.12 C ATOM 820 CG ASN A 670 38.075 3.449 0.052 1.00 60.04 C ATOM 821 OD1 ASN A 670 37.531 3.322 1.152 1.00 60.01 O ATOM 822 ND2 ASN A 670 38.391 4.623 -0.466 1.00 57.42 N ATOM 823 HD22 ASN A 670 38.849 4.674 -1.398 1.00 0.00 H ATOM 824 HD21 ASN A 670 38.182 5.496 0.059 1.00 0.00 H ATOM 825 H ASN A 670 35.840 3.325 -1.042 1.00 0.00 H ATOM 826 N PHE A 671 37.224 -0.115 0.512 1.00 50.45 N ATOM 827 CA PHE A 671 36.789 -1.011 1.605 1.00 53.73 C ATOM 828 C PHE A 671 36.293 -0.189 2.810 1.00 61.44 C ATOM 829 O PHE A 671 35.361 -0.627 3.530 1.00 56.87 O ATOM 830 CB PHE A 671 37.944 -1.948 1.952 1.00 51.66 C ATOM 831 CG PHE A 671 37.587 -3.049 2.907 1.00 52.56 C ATOM 832 CD1 PHE A 671 36.624 -3.984 2.576 1.00 54.34 C ATOM 833 CD2 PHE A 671 38.206 -3.147 4.142 1.00 55.19 C ATOM 834 CE1 PHE A 671 36.290 -5.004 3.456 1.00 55.73 C ATOM 835 CE2 PHE A 671 37.879 -4.167 5.019 1.00 53.54 C ATOM 836 CZ PHE A 671 36.924 -5.098 4.673 1.00 58.06 C ATOM 837 H PHE A 671 38.222 -0.159 0.223 1.00 0.00 H ATOM 838 N TYR A 672 36.885 0.980 3.055 1.00 58.14 N ATOM 839 CA TYR A 672 36.511 1.820 4.220 1.00 61.18 C ATOM 840 C TYR A 672 35.030 2.177 4.036 1.00 56.32 C ATOM 841 O TYR A 672 34.265 2.125 5.027 1.00 50.57 O ATOM 842 CB TYR A 672 37.516 2.973 4.435 1.00 65.19 C ATOM 843 CG TYR A 672 38.940 2.472 4.560 1.00 65.67 C ATOM 844 CD1 TYR A 672 39.286 1.594 5.575 1.00 65.99 C ATOM 845 CD2 TYR A 672 39.923 2.788 3.625 1.00 66.31 C ATOM 846 CE1 TYR A 672 40.557 1.051 5.668 1.00 72.35 C ATOM 847 CE2 TYR A 672 41.206 2.262 3.710 1.00 62.57 C ATOM 848 CZ TYR A 672 41.524 1.385 4.735 1.00 75.24 C ATOM 849 OH TYR A 672 42.760 0.815 4.857 1.00 79.01 O ATOM 850 HH TYR A 672 42.773 0.225 5.652 1.00 0.00 H ATOM 851 H TYR A 672 37.631 1.313 2.411 1.00 0.00 H ATOM 852 N HIS A 673 34.613 2.439 2.799 1.00 44.77 N ATOM 853 CA HIS A 673 33.228 2.863 2.525 1.00 45.37 C ATOM 854 C HIS A 673 32.246 1.762 2.923 1.00 44.07 C ATOM 855 O HIS A 673 31.227 2.097 3.523 1.00 57.36 O ATOM 856 CB HIS A 673 33.046 3.294 1.081 1.00 48.52 C ATOM 857 CG HIS A 673 31.611 3.466 0.705 1.00 50.56 C ATOM 858 ND1 HIS A 673 30.843 4.495 1.197 1.00 53.88 N ATOM 859 CD2 HIS A 673 30.807 2.740 -0.096 1.00 46.64 C ATOM 860 CE1 HIS A 673 29.639 4.418 0.686 1.00 52.66 C ATOM 861 NE2 HIS A 673 29.597 3.357 -0.111 1.00 52.64 N ATOM 862 H HIS A 673 35.280 2.342 2.007 1.00 0.00 H ATOM 863 N VAL A 674 32.510 0.506 2.613 1.00 41.94 N ATOM 864 CA VAL A 674 31.466 -0.558 2.752 1.00 45.02 C ATOM 865 C VAL A 674 31.464 -1.052 4.199 1.00 47.67 C ATOM 866 O VAL A 674 30.410 -1.507 4.666 1.00 46.73 O ATOM 867 CB VAL A 674 31.651 -1.701 1.738 1.00 45.85 C ATOM 868 CG1 VAL A 674 31.692 -1.175 0.307 1.00 48.80 C ATOM 869 CG2 VAL A 674 32.893 -2.527 2.016 1.00 45.62 C ATOM 870 H VAL A 674 33.457 0.252 2.267 1.00 0.00 H ATOM 871 N VAL A 675 32.603 -0.943 4.884 1.00 47.74 N ATOM 872 CA VAL A 675 32.705 -1.163 6.353 1.00 47.23 C ATOM 873 C VAL A 675 31.904 -0.073 7.072 1.00 44.50 C ATOM 874 O VAL A 675 31.167 -0.393 8.013 1.00 45.99 O ATOM 875 CB VAL A 675 34.170 -1.202 6.809 1.00 51.10 C ATOM 876 CG1 VAL A 675 34.252 -1.308 8.324 1.00 59.31 C ATOM 877 CG2 VAL A 675 34.930 -2.353 6.158 1.00 49.58 C ATOM 878 H VAL A 675 33.467 -0.691 4.364 1.00 0.00 H ATOM 879 N ASP A 676 32.040 1.170 6.629 1.00 46.72 N ATOM 880 CA ASP A 676 31.215 2.320 7.074 1.00 47.60 C ATOM 881 C ASP A 676 29.727 1.992 6.926 1.00 48.31 C ATOM 882 O ASP A 676 28.973 2.296 7.888 1.00 46.12 O ATOM 883 CB ASP A 676 31.513 3.581 6.267 1.00 50.67 C ATOM 884 CG ASP A 676 30.746 4.787 6.760 1.00 53.62 C ATOM 885 OD1 ASP A 676 30.788 4.999 7.993 1.00 61.02 O ATOM 886 OD2 ASP A 676 30.097 5.496 5.916 1.00 52.01 O ATOM 887 H ASP A 676 32.778 1.351 5.919 1.00 0.00 H ATOM 888 N VAL A 677 29.311 1.446 5.769 1.00 45.41 N ATOM 889 CA VAL A 677 27.876 1.175 5.458 1.00 37.91 C ATOM 890 C VAL A 677 27.393 0.043 6.357 1.00 38.49 C ATOM 891 O VAL A 677 26.285 0.172 6.925 1.00 32.63 O ATOM 892 CB VAL A 677 27.646 0.887 3.963 1.00 41.94 C ATOM 893 CG1 VAL A 677 26.241 0.366 3.676 1.00 41.63 C ATOM 894 CG2 VAL A 677 27.920 2.130 3.122 1.00 42.73 C ATOM 895 H VAL A 677 30.026 1.200 5.055 1.00 0.00 H ATOM 896 N CYS A 678 28.237 -0.976 6.548 1.00 37.20 N ATOM 897 CA CYS A 678 28.006 -2.112 7.477 1.00 39.12 C ATOM 898 C CYS A 678 27.768 -1.629 8.924 1.00 44.26 C ATOM 899 O CYS A 678 26.793 -2.123 9.592 1.00 38.26 O ATOM 900 CB CYS A 678 29.183 -3.070 7.428 1.00 42.53 C ATOM 901 SG CYS A 678 28.857 -4.562 8.386 1.00 49.09 S ATOM 902 H CYS A 678 29.124 -0.973 6.004 1.00 0.00 H ATOM 903 N GLN A 679 28.613 -0.707 9.406 1.00 38.23 N ATOM 904 CA GLN A 679 28.582 -0.209 10.798 1.00 41.64 C ATOM 905 C GLN A 679 27.363 0.708 10.949 1.00 41.78 C ATOM 906 O GLN A 679 26.686 0.678 11.981 1.00 42.81 O ATOM 907 CB GLN A 679 29.873 0.559 11.072 1.00 51.86 C ATOM 908 CG GLN A 679 30.060 0.967 12.525 1.00 48.84 C ATOM 909 CD GLN A 679 29.327 2.231 12.886 1.00 47.91 C ATOM 910 OE1 GLN A 679 29.232 3.184 12.104 1.00 48.50 O ATOM 911 NE2 GLN A 679 28.798 2.236 14.097 1.00 44.96 N ATOM 912 HE22 GLN A 679 28.907 1.407 14.716 1.00 0.00 H ATOM 913 HE21 GLN A 679 28.272 3.069 14.431 1.00 0.00 H ATOM 914 H GLN A 679 29.333 -0.319 8.763 1.00 0.00 H ATOM 915 N THR A 680 27.084 1.507 9.936 1.00 40.10 N ATOM 916 CA THR A 680 25.959 2.458 9.956 1.00 41.11 C ATOM 917 C THR A 680 24.649 1.666 9.947 1.00 43.42 C ATOM 918 O THR A 680 23.705 2.083 10.637 1.00 51.85 O ATOM 919 CB THR A 680 26.114 3.461 8.822 1.00 39.73 C ATOM 920 OG1 THR A 680 27.455 3.951 8.904 1.00 41.86 O ATOM 921 CG2 THR A 680 25.109 4.586 8.919 1.00 45.22 C ATOM 922 HG1 THR A 680 28.088 3.196 8.802 1.00 0.00 H ATOM 923 H THR A 680 27.684 1.463 9.088 1.00 0.00 H ATOM 924 N ILE A 681 24.603 0.561 9.210 1.00 45.35 N ATOM 925 CA ILE A 681 23.362 -0.253 9.069 1.00 45.15 C ATOM 926 C ILE A 681 23.088 -0.926 10.417 1.00 39.52 C ATOM 927 O ILE A 681 21.921 -0.951 10.849 1.00 41.57 O ATOM 928 CB ILE A 681 23.482 -1.204 7.867 1.00 40.70 C ATOM 929 CG1 ILE A 681 23.236 -0.461 6.552 1.00 45.36 C ATOM 930 CG2 ILE A 681 22.553 -2.380 8.011 1.00 42.34 C ATOM 931 CD1 ILE A 681 23.685 -1.237 5.336 1.00 47.44 C ATOM 932 H ILE A 681 25.464 0.253 8.714 1.00 0.00 H ATOM 933 N HIS A 682 24.151 -1.314 11.110 1.00 39.74 N ATOM 934 CA HIS A 682 24.122 -1.855 12.499 1.00 41.68 C ATOM 935 C HIS A 682 23.418 -0.860 13.420 1.00 38.28 C ATOM 936 O HIS A 682 22.500 -1.274 14.149 1.00 39.11 O ATOM 937 CB HIS A 682 25.523 -2.237 12.989 1.00 41.55 C ATOM 938 CG HIS A 682 25.505 -3.068 14.229 1.00 44.66 C ATOM 939 ND1 HIS A 682 25.002 -2.593 15.428 1.00 42.49 N ATOM 940 CD2 HIS A 682 25.946 -4.327 14.479 1.00 46.76 C ATOM 941 CE1 HIS A 682 25.099 -3.543 16.348 1.00 41.78 C ATOM 942 NE2 HIS A 682 25.676 -4.613 15.795 1.00 42.51 N ATOM 943 H HIS A 682 25.079 -1.234 10.647 1.00 0.00 H ATOM 944 N THR A 683 23.764 0.411 13.328 1.00 36.63 N ATOM 945 CA THR A 683 23.187 1.464 14.198 1.00 39.86 C ATOM 946 C THR A 683 21.716 1.654 13.826 1.00 38.49 C ATOM 947 O THR A 683 20.878 1.684 14.761 1.00 43.44 O ATOM 948 CB THR A 683 24.008 2.768 14.189 1.00 38.43 C ATOM 949 OG1 THR A 683 23.753 3.492 12.993 1.00 39.91 O ATOM 950 CG2 THR A 683 25.495 2.524 14.303 1.00 35.98 C ATOM 951 HG1 THR A 683 24.009 2.939 12.213 1.00 0.00 H ATOM 952 H THR A 683 24.471 0.685 12.616 1.00 0.00 H ATOM 953 N PHE A 684 21.385 1.752 12.542 1.00 39.12 N ATOM 954 CA PHE A 684 19.965 1.926 12.151 1.00 39.33 C ATOM 955 C PHE A 684 19.149 0.735 12.649 1.00 36.25 C ATOM 956 O PHE A 684 18.028 0.921 13.065 1.00 34.24 O ATOM 957 CB PHE A 684 19.807 2.002 10.634 1.00 39.54 C ATOM 958 CG PHE A 684 20.476 3.180 9.988 1.00 38.64 C ATOM 959 CD1 PHE A 684 20.898 4.253 10.743 1.00 38.90 C ATOM 960 CD2 PHE A 684 20.683 3.213 8.627 1.00 39.03 C ATOM 961 CE1 PHE A 684 21.513 5.336 10.150 1.00 39.56 C ATOM 962 CE2 PHE A 684 21.295 4.296 8.032 1.00 38.31 C ATOM 963 CZ PHE A 684 21.703 5.355 8.795 1.00 43.63 C ATOM 964 H PHE A 684 22.123 1.707 11.811 1.00 0.00 H ATOM 965 N LEU A 685 19.735 -0.451 12.595 1.00 34.20 N ATOM 966 CA LEU A 685 19.021 -1.680 13.003 1.00 43.85 C ATOM 967 C LEU A 685 18.903 -1.755 14.524 1.00 47.00 C ATOM 968 O LEU A 685 17.811 -1.971 15.000 1.00 47.23 O ATOM 969 CB LEU A 685 19.784 -2.894 12.467 1.00 40.24 C ATOM 970 CG LEU A 685 19.541 -3.276 11.009 1.00 41.91 C ATOM 971 CD1 LEU A 685 20.301 -4.534 10.664 1.00 39.33 C ATOM 972 CD2 LEU A 685 18.067 -3.470 10.722 1.00 39.31 C ATOM 973 H LEU A 685 20.717 -0.520 12.259 1.00 0.00 H ATOM 974 N TYR A 686 20.000 -1.514 15.232 1.00 49.92 N ATOM 975 CA TYR A 686 20.054 -1.721 16.698 1.00 48.45 C ATOM 976 C TYR A 686 19.860 -0.436 17.514 1.00 50.50 C ATOM 977 O TYR A 686 19.245 -0.541 18.557 1.00 57.43 O ATOM 978 CB TYR A 686 21.241 -2.630 17.008 1.00 48.50 C ATOM 979 CG TYR A 686 21.083 -3.969 16.344 1.00 46.73 C ATOM 980 CD1 TYR A 686 20.026 -4.788 16.680 1.00 53.46 C ATOM 981 CD2 TYR A 686 21.929 -4.396 15.341 1.00 52.71 C ATOM 982 CE1 TYR A 686 19.827 -6.007 16.066 1.00 51.39 C ATOM 983 CE2 TYR A 686 21.751 -5.616 14.717 1.00 52.46 C ATOM 984 CZ TYR A 686 20.691 -6.422 15.079 1.00 53.76 C ATOM 985 OH TYR A 686 20.474 -7.621 14.487 1.00 46.53 O ATOM 986 HH TYR A 686 19.671 -8.043 14.883 1.00 0.00 H ATOM 987 H TYR A 686 20.849 -1.169 14.741 1.00 0.00 H ATOM 988 N ARG A 687 20.364 0.714 17.065 1.00 50.26 N ATOM 989 CA ARG A 687 20.158 1.983 17.807 1.00 46.79 C ATOM 990 C ARG A 687 18.851 2.623 17.331 1.00 50.19 C ATOM 991 O ARG A 687 18.214 3.287 18.121 1.00 45.80 O ATOM 992 CB ARG A 687 21.335 2.939 17.616 1.00 47.25 C ATOM 993 CG ARG A 687 22.681 2.349 17.992 1.00 57.49 C ATOM 994 CD ARG A 687 23.008 2.634 19.435 1.00 58.85 C ATOM 995 NE ARG A 687 24.284 2.086 19.842 1.00 63.93 N ATOM 996 CZ ARG A 687 24.819 2.265 21.034 1.00 68.08 C ATOM 997 NH1 ARG A 687 24.187 2.989 21.934 1.00 68.42 N ATOM 998 NH2 ARG A 687 25.983 1.727 21.322 1.00 61.80 N ATOM 999 HE ARG A 687 24.812 1.515 19.151 1.00 0.00 H ATOM 1000 HH12 ARG A 687 24.607 3.132 22.875 1.00 0.00 H ATOM 1001 HH11 ARG A 687 23.268 3.418 21.704 1.00 0.00 H ATOM 1002 HH22 ARG A 687 26.403 1.869 22.263 1.00 0.00 H ATOM 1003 HH21 ARG A 687 26.484 1.159 20.609 1.00 0.00 H ATOM 1004 H ARG A 687 20.911 0.722 16.180 1.00 0.00 H ATOM 1005 N GLY A 688 18.508 2.431 16.062 1.00 42.02 N ATOM 1006 CA GLY A 688 17.257 2.940 15.473 1.00 40.31 C ATOM 1007 C GLY A 688 16.121 1.933 15.593 1.00 34.80 C ATOM 1008 O GLY A 688 14.984 2.274 15.207 1.00 40.31 O ATOM 1009 H GLY A 688 19.157 1.893 15.452 1.00 0.00 H ATOM 1010 N ASN A 689 16.400 0.721 16.038 1.00 36.18 N ATOM 1011 CA ASN A 689 15.339 -0.297 16.325 1.00 46.35 C ATOM 1012 C ASN A 689 14.645 -0.749 15.028 1.00 43.37 C ATOM 1013 O ASN A 689 13.535 -1.293 15.094 1.00 41.30 O ATOM 1014 CB ASN A 689 14.242 0.216 17.283 1.00 52.00 C ATOM 1015 CG ASN A 689 14.722 0.528 18.684 1.00 47.26 C ATOM 1016 OD1 ASN A 689 15.674 -0.078 19.177 1.00 51.55 O ATOM 1017 ND2 ASN A 689 14.091 1.513 19.298 1.00 44.94 N ATOM 1018 HD22 ASN A 689 13.292 1.989 18.832 1.00 0.00 H ATOM 1019 HD21 ASN A 689 14.393 1.812 20.247 1.00 0.00 H ATOM 1020 H ASN A 689 17.395 0.463 16.195 1.00 0.00 H ATOM 1021 N VAL A 690 15.272 -0.559 13.875 1.00 44.38 N ATOM 1022 CA VAL A 690 14.725 -1.070 12.594 1.00 45.57 C ATOM 1023 C VAL A 690 14.756 -2.606 12.645 1.00 44.06 C ATOM 1024 O VAL A 690 13.945 -3.215 11.941 1.00 40.52 O ATOM 1025 CB VAL A 690 15.481 -0.496 11.383 1.00 46.75 C ATOM 1026 CG1 VAL A 690 14.959 -1.051 10.064 1.00 42.27 C ATOM 1027 CG2 VAL A 690 15.406 1.021 11.384 1.00 50.48 C ATOM 1028 H VAL A 690 16.172 -0.038 13.869 1.00 0.00 H ATOM 1029 N TYR A 691 15.592 -3.228 13.477 1.00 38.04 N ATOM 1030 CA TYR A 691 15.615 -4.714 13.578 1.00 40.54 C ATOM 1031 C TYR A 691 14.169 -5.219 13.818 1.00 40.95 C ATOM 1032 O TYR A 691 13.807 -6.361 13.429 1.00 38.53 O ATOM 1033 CB TYR A 691 16.608 -5.179 14.652 1.00 41.51 C ATOM 1034 CG TYR A 691 16.025 -5.143 16.044 1.00 47.16 C ATOM 1035 CD1 TYR A 691 15.180 -6.151 16.470 1.00 43.65 C ATOM 1036 CD2 TYR A 691 16.209 -4.059 16.896 1.00 45.15 C ATOM 1037 CE1 TYR A 691 14.537 -6.092 17.695 1.00 43.30 C ATOM 1038 CE2 TYR A 691 15.617 -4.010 18.155 1.00 44.53 C ATOM 1039 CZ TYR A 691 14.764 -5.030 18.552 1.00 49.21 C ATOM 1040 OH TYR A 691 14.148 -5.027 19.770 1.00 48.88 O ATOM 1041 HH TYR A 691 13.580 -4.220 19.849 1.00 0.00 H ATOM 1042 H TYR A 691 16.239 -2.666 14.066 1.00 0.00 H ATOM 1043 N GLU A 692 13.327 -4.402 14.454 1.00 40.16 N ATOM 1044 CA GLU A 692 11.974 -4.829 14.910 1.00 44.08 C ATOM 1045 C GLU A 692 11.144 -5.132 13.665 1.00 46.03 C ATOM 1046 O GLU A 692 10.130 -5.827 13.794 1.00 59.74 O ATOM 1047 CB GLU A 692 11.260 -3.758 15.754 1.00 43.02 C ATOM 1048 CG GLU A 692 11.691 -3.666 17.220 1.00 47.33 C ATOM 1049 CD GLU A 692 11.105 -2.472 17.998 1.00 54.63 C ATOM 1050 OE1 GLU A 692 9.909 -2.167 17.813 1.00 51.33 O ATOM 1051 OE2 GLU A 692 11.860 -1.807 18.762 1.00 55.90 O ATOM 1052 H GLU A 692 13.628 -3.424 14.640 1.00 0.00 H ATOM 1053 N LYS A 693 11.533 -4.584 12.512 1.00 46.91 N ATOM 1054 CA LYS A 693 10.741 -4.614 11.254 1.00 50.85 C ATOM 1055 C LYS A 693 11.132 -5.830 10.403 1.00 46.19 C ATOM 1056 O LYS A 693 10.367 -6.142 9.488 1.00 48.81 O ATOM 1057 CB LYS A 693 10.957 -3.331 10.442 1.00 59.66 C ATOM 1058 CG LYS A 693 10.352 -2.068 11.038 1.00 64.31 C ATOM 1059 CD LYS A 693 8.898 -2.223 11.432 1.00 72.49 C ATOM 1060 CE LYS A 693 8.101 -0.934 11.358 1.00 80.48 C ATOM 1061 NZ LYS A 693 8.910 0.227 11.796 1.00 82.69 N ATOM 1062 HZ1 LYS A 693 9.216 0.083 12.779 1.00 0.00 H ATOM 1063 HZ2 LYS A 693 9.744 0.318 11.182 1.00 0.00 H ATOM 1064 HZ3 LYS A 693 8.336 1.092 11.733 1.00 0.00 H ATOM 1065 H LYS A 693 12.455 -4.102 12.492 1.00 0.00 H ATOM 1066 N LEU A 694 12.244 -6.499 10.722 1.00 43.04 N ATOM 1067 CA LEU A 694 12.870 -7.557 9.881 1.00 40.28 C ATOM 1068 C LEU A 694 13.069 -8.841 10.685 1.00 36.45 C ATOM 1069 O LEU A 694 12.866 -8.838 11.874 1.00 42.77 O ATOM 1070 CB LEU A 694 14.218 -7.054 9.353 1.00 38.35 C ATOM 1071 CG LEU A 694 14.149 -5.794 8.512 1.00 37.14 C ATOM 1072 CD1 LEU A 694 15.523 -5.174 8.329 1.00 33.76 C ATOM 1073 CD2 LEU A 694 13.508 -6.087 7.169 1.00 38.78 C ATOM 1074 H LEU A 694 12.706 -6.264 11.623 1.00 0.00 H ATOM 1075 N THR A 695 13.390 -9.936 10.005 1.00 41.46 N ATOM 1076 CA THR A 695 13.706 -11.221 10.651 1.00 37.32 C ATOM 1077 C THR A 695 15.166 -11.129 11.035 1.00 34.68 C ATOM 1078 O THR A 695 15.848 -10.277 10.459 1.00 33.44 O ATOM 1079 CB THR A 695 13.482 -12.394 9.707 1.00 39.67 C ATOM 1080 OG1 THR A 695 14.357 -12.175 8.592 1.00 38.44 O ATOM 1081 CG2 THR A 695 12.034 -12.547 9.306 1.00 38.37 C ATOM 1082 HG1 THR A 695 14.252 -12.914 7.941 1.00 0.00 H ATOM 1083 H THR A 695 13.420 -9.883 8.967 1.00 0.00 H ATOM 1084 N GLU A 696 15.636 -12.037 11.872 1.00 37.46 N ATOM 1085 CA GLU A 696 17.090 -12.173 12.117 1.00 41.33 C ATOM 1086 C GLU A 696 17.768 -12.436 10.782 1.00 38.64 C ATOM 1087 O GLU A 696 18.824 -11.830 10.531 1.00 37.47 O ATOM 1088 CB GLU A 696 17.360 -13.224 13.187 1.00 48.87 C ATOM 1089 CG GLU A 696 16.822 -12.802 14.550 1.00 59.20 C ATOM 1090 CD GLU A 696 17.268 -13.667 15.718 1.00 66.30 C ATOM 1091 OE1 GLU A 696 17.102 -14.915 15.626 1.00 76.12 O ATOM 1092 OE2 GLU A 696 17.800 -13.093 16.714 1.00 60.89 O ATOM 1093 H GLU A 696 14.973 -12.667 12.367 1.00 0.00 H ATOM 1094 N LEU A 697 17.177 -13.254 9.908 1.00 42.91 N ATOM 1095 CA LEU A 697 17.905 -13.615 8.649 1.00 42.76 C ATOM 1096 C LEU A 697 18.116 -12.356 7.799 1.00 39.53 C ATOM 1097 O LEU A 697 19.234 -12.120 7.322 1.00 40.76 O ATOM 1098 CB LEU A 697 17.124 -14.703 7.912 1.00 46.74 C ATOM 1099 CG LEU A 697 17.735 -15.166 6.589 1.00 48.74 C ATOM 1100 CD1 LEU A 697 19.183 -15.592 6.763 1.00 49.51 C ATOM 1101 CD2 LEU A 697 16.909 -16.294 5.988 1.00 47.93 C ATOM 1102 H LEU A 697 16.228 -13.634 10.098 1.00 0.00 H ATOM 1103 N GLU A 698 17.087 -11.513 7.703 1.00 40.22 N ATOM 1104 CA GLU A 698 17.120 -10.248 6.943 1.00 35.46 C ATOM 1105 C GLU A 698 18.152 -9.304 7.554 1.00 35.39 C ATOM 1106 O GLU A 698 18.842 -8.609 6.784 1.00 36.87 O ATOM 1107 CB GLU A 698 15.706 -9.675 6.835 1.00 40.67 C ATOM 1108 CG GLU A 698 14.764 -10.565 6.035 1.00 41.94 C ATOM 1109 CD GLU A 698 13.265 -10.270 6.105 1.00 48.16 C ATOM 1110 OE1 GLU A 698 12.831 -9.557 7.041 1.00 50.15 O ATOM 1111 OE2 GLU A 698 12.522 -10.769 5.225 1.00 46.45 O ATOM 1112 H GLU A 698 16.205 -11.763 8.195 1.00 0.00 H ATOM 1113 N CYS A 699 18.267 -9.251 8.884 1.00 42.01 N ATOM 1114 CA CYS A 699 19.306 -8.432 9.573 1.00 43.19 C ATOM 1115 C CYS A 699 20.681 -8.975 9.204 1.00 42.33 C ATOM 1116 O CYS A 699 21.542 -8.145 8.851 1.00 41.88 O ATOM 1117 CB CYS A 699 19.155 -8.453 11.087 1.00 41.84 C ATOM 1118 SG CYS A 699 17.710 -7.510 11.604 1.00 41.84 S ATOM 1119 H CYS A 699 17.604 -9.804 9.464 1.00 0.00 H ATOM 1120 N PHE A 700 20.853 -10.308 9.258 1.00 41.02 N ATOM 1121 CA PHE A 700 22.131 -10.972 8.877 1.00 44.19 C ATOM 1122 C PHE A 700 22.451 -10.614 7.417 1.00 43.89 C ATOM 1123 O PHE A 700 23.550 -10.049 7.136 1.00 38.17 O ATOM 1124 CB PHE A 700 22.085 -12.471 9.172 1.00 44.09 C ATOM 1125 CG PHE A 700 23.315 -13.252 8.784 1.00 43.09 C ATOM 1126 CD1 PHE A 700 24.581 -12.779 9.062 1.00 45.89 C ATOM 1127 CD2 PHE A 700 23.203 -14.483 8.161 1.00 50.02 C ATOM 1128 CE1 PHE A 700 25.704 -13.525 8.741 1.00 47.86 C ATOM 1129 CE2 PHE A 700 24.327 -15.227 7.833 1.00 48.49 C ATOM 1130 CZ PHE A 700 25.579 -14.739 8.120 1.00 47.21 C ATOM 1131 H PHE A 700 20.061 -10.900 9.579 1.00 0.00 H ATOM 1132 N VAL A 701 21.477 -10.799 6.524 1.00 38.53 N ATOM 1133 CA VAL A 701 21.673 -10.491 5.083 1.00 37.88 C ATOM 1134 C VAL A 701 22.104 -9.034 4.896 1.00 41.76 C ATOM 1135 O VAL A 701 23.054 -8.814 4.115 1.00 39.93 O ATOM 1136 CB VAL A 701 20.419 -10.826 4.275 1.00 37.67 C ATOM 1137 CG1 VAL A 701 20.537 -10.363 2.841 1.00 37.68 C ATOM 1138 CG2 VAL A 701 20.191 -12.319 4.310 1.00 40.84 C ATOM 1139 H VAL A 701 20.559 -11.168 6.844 1.00 0.00 H ATOM 1140 N LEU A 702 21.429 -8.068 5.540 1.00 42.24 N ATOM 1141 CA LEU A 702 21.756 -6.634 5.359 1.00 41.03 C ATOM 1142 C LEU A 702 23.207 -6.349 5.767 1.00 40.88 C ATOM 1143 O LEU A 702 23.877 -5.614 5.022 1.00 44.69 O ATOM 1144 CB LEU A 702 20.817 -5.747 6.179 1.00 44.65 C ATOM 1145 CG LEU A 702 19.508 -5.328 5.513 1.00 39.95 C ATOM 1146 CD1 LEU A 702 18.602 -4.685 6.551 1.00 41.19 C ATOM 1147 CD2 LEU A 702 19.771 -4.371 4.362 1.00 35.37 C ATOM 1148 H LEU A 702 20.656 -8.333 6.183 1.00 0.00 H ATOM 1149 N LEU A 703 23.658 -6.821 6.930 1.00 40.88 N ATOM 1150 CA LEU A 703 25.057 -6.567 7.396 1.00 48.15 C ATOM 1151 C LEU A 703 26.084 -7.164 6.407 1.00 44.85 C ATOM 1152 O LEU A 703 27.088 -6.483 6.124 1.00 46.85 O ATOM 1153 CB LEU A 703 25.227 -7.110 8.822 1.00 48.54 C ATOM 1154 CG LEU A 703 24.420 -6.374 9.893 1.00 49.79 C ATOM 1155 CD1 LEU A 703 24.619 -7.024 11.240 1.00 53.57 C ATOM 1156 CD2 LEU A 703 24.777 -4.889 9.956 1.00 46.99 C ATOM 1157 H LEU A 703 23.019 -7.381 7.530 1.00 0.00 H ATOM 1158 N ILE A 704 25.823 -8.356 5.873 1.00 44.94 N ATOM 1159 CA ILE A 704 26.628 -9.017 4.792 1.00 48.60 C ATOM 1160 C ILE A 704 26.549 -8.200 3.496 1.00 47.55 C ATOM 1161 O ILE A 704 27.625 -7.900 2.911 1.00 39.19 O ATOM 1162 CB ILE A 704 26.144 -10.464 4.596 1.00 52.23 C ATOM 1163 CG1 ILE A 704 26.489 -11.327 5.816 1.00 59.30 C ATOM 1164 CG2 ILE A 704 26.713 -11.059 3.328 1.00 56.02 C ATOM 1165 CD1 ILE A 704 27.942 -11.195 6.284 1.00 55.24 C ATOM 1166 H ILE A 704 24.994 -8.870 6.234 1.00 0.00 H ATOM 1167 N THR A 705 25.337 -7.806 3.069 1.00 37.63 N ATOM 1168 CA THR A 705 25.161 -7.109 1.780 1.00 37.08 C ATOM 1169 C THR A 705 25.949 -5.796 1.855 1.00 39.68 C ATOM 1170 O THR A 705 26.519 -5.367 0.846 1.00 41.36 O ATOM 1171 CB THR A 705 23.689 -6.906 1.417 1.00 38.78 C ATOM 1172 OG1 THR A 705 22.921 -8.113 1.396 1.00 39.76 O ATOM 1173 CG2 THR A 705 23.568 -6.233 0.076 1.00 42.01 C ATOM 1174 HG1 THR A 705 22.946 -8.534 2.292 1.00 0.00 H ATOM 1175 H THR A 705 24.503 -7.997 3.661 1.00 0.00 H ATOM 1176 N ALA A 706 25.998 -5.160 3.017 1.00 39.25 N ATOM 1177 CA ALA A 706 26.791 -3.920 3.194 1.00 43.97 C ATOM 1178 C ALA A 706 28.196 -4.121 2.604 1.00 40.73 C ATOM 1179 O ALA A 706 28.650 -3.283 1.830 1.00 43.28 O ATOM 1180 CB ALA A 706 26.835 -3.559 4.648 1.00 38.82 C ATOM 1181 H ALA A 706 25.466 -5.541 3.826 1.00 0.00 H ATOM 1182 N LEU A 707 28.827 -5.249 2.911 1.00 42.78 N ATOM 1183 CA LEU A 707 30.249 -5.498 2.569 1.00 44.36 C ATOM 1184 C LEU A 707 30.425 -5.826 1.083 1.00 45.97 C ATOM 1185 O LEU A 707 31.512 -5.545 0.593 1.00 42.83 O ATOM 1186 CB LEU A 707 30.764 -6.638 3.448 1.00 46.86 C ATOM 1187 CG LEU A 707 30.915 -6.295 4.930 1.00 43.73 C ATOM 1188 CD1 LEU A 707 31.457 -7.488 5.699 1.00 48.93 C ATOM 1189 CD2 LEU A 707 31.831 -5.098 5.113 1.00 44.31 C ATOM 1190 H LEU A 707 28.300 -5.991 3.414 1.00 0.00 H ATOM 1191 N VAL A 708 29.412 -6.369 0.384 1.00 45.73 N ATOM 1192 CA VAL A 708 29.548 -6.751 -1.054 1.00 42.52 C ATOM 1193 C VAL A 708 29.068 -5.646 -2.005 1.00 39.27 C ATOM 1194 O VAL A 708 29.279 -5.824 -3.209 1.00 40.16 O ATOM 1195 CB VAL A 708 28.843 -8.083 -1.383 1.00 45.23 C ATOM 1196 CG1 VAL A 708 29.324 -9.202 -0.485 1.00 49.08 C ATOM 1197 CG2 VAL A 708 27.330 -8.008 -1.366 1.00 41.65 C ATOM 1198 H VAL A 708 28.502 -6.529 0.861 1.00 0.00 H ATOM 1199 N HIS A 709 28.454 -4.558 -1.540 1.00 36.72 N ATOM 1200 CA HIS A 709 27.520 -3.728 -2.361 1.00 40.34 C ATOM 1201 C HIS A 709 28.252 -2.790 -3.347 1.00 43.81 C ATOM 1202 O HIS A 709 27.592 -2.201 -4.235 1.00 39.95 O ATOM 1203 CB HIS A 709 26.562 -2.958 -1.426 1.00 40.18 C ATOM 1204 CG HIS A 709 27.079 -1.616 -1.052 1.00 46.11 C ATOM 1205 ND1 HIS A 709 27.884 -1.422 0.065 1.00 40.31 N ATOM 1206 CD2 HIS A 709 26.943 -0.416 -1.664 1.00 45.32 C ATOM 1207 CE1 HIS A 709 28.201 -0.144 0.125 1.00 47.00 C ATOM 1208 NE2 HIS A 709 27.637 0.496 -0.925 1.00 40.84 N ATOM 1209 H HIS A 709 28.634 -4.272 -0.556 1.00 0.00 H ATOM 1210 N ASP A 710 29.566 -2.620 -3.237 1.00 43.93 N ATOM 1211 CA ASP A 710 30.337 -1.821 -4.234 1.00 42.73 C ATOM 1212 C ASP A 710 31.556 -2.609 -4.757 1.00 43.77 C ATOM 1213 O ASP A 710 32.498 -1.967 -5.226 1.00 47.35 O ATOM 1214 CB ASP A 710 30.772 -0.492 -3.625 1.00 39.08 C ATOM 1215 CG ASP A 710 29.714 0.600 -3.653 1.00 42.40 C ATOM 1216 OD1 ASP A 710 28.931 0.682 -4.636 1.00 38.11 O ATOM 1217 OD2 ASP A 710 29.707 1.385 -2.705 1.00 40.66 O ATOM 1218 H ASP A 710 30.069 -3.054 -2.437 1.00 0.00 H ATOM 1219 N LEU A 711 31.545 -3.939 -4.702 1.00 45.98 N ATOM 1220 CA LEU A 711 32.729 -4.783 -5.056 1.00 50.44 C ATOM 1221 C LEU A 711 33.320 -4.377 -6.403 1.00 52.26 C ATOM 1222 O LEU A 711 32.587 -4.355 -7.404 1.00 46.01 O ATOM 1223 CB LEU A 711 32.351 -6.259 -5.124 1.00 45.80 C ATOM 1224 CG LEU A 711 32.212 -6.925 -3.767 1.00 47.72 C ATOM 1225 CD1 LEU A 711 31.436 -8.223 -3.905 1.00 47.53 C ATOM 1226 CD2 LEU A 711 33.575 -7.152 -3.135 1.00 45.58 C ATOM 1227 H LEU A 711 30.671 -4.415 -4.398 1.00 0.00 H ATOM 1228 N ASP A 712 34.624 -4.108 -6.387 1.00 54.80 N ATOM 1229 CA ASP A 712 35.478 -3.896 -7.577 1.00 55.06 C ATOM 1230 C ASP A 712 34.990 -2.629 -8.265 1.00 53.26 C ATOM 1231 O ASP A 712 34.971 -2.591 -9.501 1.00 59.57 O ATOM 1232 CB ASP A 712 35.534 -5.134 -8.480 1.00 54.21 C ATOM 1233 CG ASP A 712 36.356 -4.894 -9.738 1.00 57.63 C ATOM 1234 OD1 ASP A 712 37.525 -4.455 -9.620 1.00 58.24 O ATOM 1235 OD2 ASP A 712 35.792 -5.063 -10.827 1.00 55.62 O ATOM 1236 H ASP A 712 35.083 -4.041 -5.456 1.00 0.00 H ATOM 1237 N HIS A 713 34.636 -1.628 -7.463 1.00 50.85 N ATOM 1238 CA HIS A 713 34.302 -0.264 -7.939 1.00 51.79 C ATOM 1239 C HIS A 713 35.606 0.452 -8.326 1.00 51.40 C ATOM 1240 O HIS A 713 36.604 0.314 -7.580 1.00 55.88 O ATOM 1241 CB HIS A 713 33.508 0.457 -6.842 1.00 49.98 C ATOM 1242 CG HIS A 713 32.717 1.623 -7.318 1.00 41.86 C ATOM 1243 ND1 HIS A 713 33.311 2.704 -7.920 1.00 42.38 N ATOM 1244 CD2 HIS A 713 31.389 1.881 -7.246 1.00 43.36 C ATOM 1245 CE1 HIS A 713 32.363 3.589 -8.228 1.00 49.06 C ATOM 1246 NE2 HIS A 713 31.160 3.107 -7.814 1.00 42.49 N ATOM 1247 H HIS A 713 34.591 -1.813 -6.441 1.00 0.00 H ATOM 1248 N MET A 714 35.596 1.204 -9.424 1.00 55.28 N ATOM 1249 CA MET A 714 36.824 1.779 -10.055 1.00 66.01 C ATOM 1250 C MET A 714 36.863 3.296 -9.852 1.00 60.42 C ATOM 1251 O MET A 714 37.842 3.906 -10.266 1.00 61.42 O ATOM 1252 CB MET A 714 36.901 1.466 -11.560 1.00 72.33 C ATOM 1253 CG MET A 714 37.722 0.216 -11.914 1.00 84.85 C ATOM 1254 SD MET A 714 36.862 -1.416 -11.766 1.00119.46 S ATOM 1255 CE MET A 714 35.722 -1.457 -13.156 1.00 98.76 C ATOM 1256 H MET A 714 34.678 1.404 -9.870 1.00 0.00 H ATOM 1257 N GLY A 715 35.839 3.878 -9.229 1.00 65.67 N ATOM 1258 CA GLY A 715 35.754 5.329 -8.989 1.00 58.54 C ATOM 1259 C GLY A 715 35.108 6.055 -10.153 1.00 53.77 C ATOM 1260 O GLY A 715 35.263 7.282 -10.266 1.00 50.88 O ATOM 1261 H GLY A 715 35.059 3.277 -8.895 1.00 0.00 H ATOM 1262 N LEU A 716 34.377 5.325 -10.984 1.00 52.33 N ATOM 1263 CA LEU A 716 33.696 5.868 -12.178 1.00 50.93 C ATOM 1264 C LEU A 716 32.230 5.481 -12.056 1.00 49.76 C ATOM 1265 O LEU A 716 31.984 4.296 -11.697 1.00 40.96 O ATOM 1266 CB LEU A 716 34.342 5.224 -13.410 1.00 55.66 C ATOM 1267 CG LEU A 716 35.839 5.482 -13.587 1.00 58.33 C ATOM 1268 CD1 LEU A 716 36.446 4.526 -14.598 1.00 59.30 C ATOM 1269 CD2 LEU A 716 36.084 6.920 -14.011 1.00 61.43 C ATOM 1270 H LEU A 716 34.277 4.309 -10.784 1.00 0.00 H ATOM 1271 N ASN A 717 31.307 6.397 -12.354 1.00 48.63 N ATOM 1272 CA ASN A 717 29.851 6.121 -12.232 1.00 52.33 C ATOM 1273 C ASN A 717 29.367 5.337 -13.466 1.00 53.60 C ATOM 1274 O ASN A 717 30.111 5.228 -14.448 1.00 58.46 O ATOM 1275 CB ASN A 717 29.050 7.400 -11.986 1.00 54.04 C ATOM 1276 CG ASN A 717 29.038 8.308 -13.186 1.00 56.52 C ATOM 1277 OD1 ASN A 717 29.675 8.002 -14.188 1.00 57.86 O ATOM 1278 ND2 ASN A 717 28.314 9.410 -13.096 1.00 58.07 N ATOM 1279 HD22 ASN A 717 27.793 9.620 -12.221 1.00 0.00 H ATOM 1280 HD21 ASN A 717 28.265 10.067 -13.901 1.00 0.00 H ATOM 1281 H ASN A 717 31.616 7.334 -12.682 1.00 0.00 H ATOM 1282 N ASN A 718 28.152 4.794 -13.402 1.00 52.00 N ATOM 1283 CA ASN A 718 27.487 4.071 -14.520 1.00 51.65 C ATOM 1284 C ASN A 718 27.576 4.906 -15.801 1.00 51.30 C ATOM 1285 O ASN A 718 27.859 4.346 -16.870 1.00 54.41 O ATOM 1286 CB ASN A 718 26.025 3.740 -14.204 1.00 45.14 C ATOM 1287 CG ASN A 718 25.901 2.597 -13.229 1.00 45.65 C ATOM 1288 OD1 ASN A 718 26.803 1.762 -13.127 1.00 50.90 O ATOM 1289 ND2 ASN A 718 24.782 2.534 -12.528 1.00 46.16 N ATOM 1290 HD22 ASN A 718 24.050 3.263 -12.650 1.00 0.00 H ATOM 1291 HD21 ASN A 718 24.633 1.755 -11.855 1.00 0.00 H ATOM 1292 H ASN A 718 27.631 4.882 -12.506 1.00 0.00 H ATOM 1293 N SER A 719 27.290 6.190 -15.689 1.00 48.92 N ATOM 1294 CA SER A 719 27.229 7.130 -16.828 1.00 53.87 C ATOM 1295 C SER A 719 28.541 7.084 -17.632 1.00 52.23 C ATOM 1296 O SER A 719 28.490 7.057 -18.874 1.00 48.98 O ATOM 1297 CB SER A 719 26.928 8.504 -16.328 1.00 50.64 C ATOM 1298 OG SER A 719 26.780 9.354 -17.430 1.00 57.81 O ATOM 1299 HG SER A 719 26.580 10.271 -17.114 1.00 0.00 H ATOM 1300 H SER A 719 27.095 6.564 -14.738 1.00 0.00 H ATOM 1301 N PHE A 720 29.682 7.081 -16.946 1.00 49.94 N ATOM 1302 CA PHE A 720 31.017 7.139 -17.589 1.00 53.39 C ATOM 1303 C PHE A 720 31.143 5.995 -18.605 1.00 52.37 C ATOM 1304 O PHE A 720 31.506 6.253 -19.787 1.00 45.13 O ATOM 1305 CB PHE A 720 32.131 7.034 -16.549 1.00 52.32 C ATOM 1306 CG PHE A 720 33.490 6.797 -17.151 1.00 53.47 C ATOM 1307 CD1 PHE A 720 34.240 7.860 -17.627 1.00 59.43 C ATOM 1308 CD2 PHE A 720 33.989 5.515 -17.292 1.00 51.39 C ATOM 1309 CE1 PHE A 720 35.487 7.637 -18.195 1.00 64.57 C ATOM 1310 CE2 PHE A 720 35.230 5.293 -17.865 1.00 52.76 C ATOM 1311 CZ PHE A 720 35.985 6.355 -18.306 1.00 54.97 C ATOM 1312 H PHE A 720 29.635 7.036 -15.908 1.00 0.00 H ATOM 1313 N TYR A 721 30.840 4.783 -18.132 1.00 45.66 N ATOM 1314 CA TYR A 721 30.933 3.508 -18.878 1.00 50.10 C ATOM 1315 C TYR A 721 30.041 3.548 -20.119 1.00 52.55 C ATOM 1316 O TYR A 721 30.448 2.977 -21.145 1.00 48.49 O ATOM 1317 CB TYR A 721 30.541 2.334 -17.986 1.00 53.85 C ATOM 1318 CG TYR A 721 31.558 1.995 -16.931 1.00 54.15 C ATOM 1319 CD1 TYR A 721 32.676 1.225 -17.221 1.00 51.56 C ATOM 1320 CD2 TYR A 721 31.387 2.434 -15.630 1.00 50.35 C ATOM 1321 CE1 TYR A 721 33.600 0.886 -16.245 1.00 47.48 C ATOM 1322 CE2 TYR A 721 32.310 2.122 -14.652 1.00 52.03 C ATOM 1323 CZ TYR A 721 33.413 1.342 -14.952 1.00 54.80 C ATOM 1324 OH TYR A 721 34.310 1.063 -13.959 1.00 57.13 O ATOM 1325 HH TYR A 721 34.688 1.909 -13.610 1.00 0.00 H ATOM 1326 H TYR A 721 30.508 4.730 -17.148 1.00 0.00 H ATOM 1327 N LEU A 722 28.882 4.198 -20.039 1.00 49.70 N ATOM 1328 CA LEU A 722 27.923 4.250 -21.164 1.00 57.17 C ATOM 1329 C LEU A 722 28.378 5.313 -22.167 1.00 67.79 C ATOM 1330 O LEU A 722 28.388 5.024 -23.375 1.00 74.56 O ATOM 1331 CB LEU A 722 26.516 4.538 -20.626 1.00 66.80 C ATOM 1332 CG LEU A 722 25.929 3.452 -19.716 1.00 73.58 C ATOM 1333 CD1 LEU A 722 24.577 3.881 -19.145 1.00 73.04 C ATOM 1334 CD2 LEU A 722 25.804 2.114 -20.444 1.00 66.61 C ATOM 1335 H LEU A 722 28.642 4.687 -19.153 1.00 0.00 H ATOM 1336 N LYS A 723 28.762 6.497 -21.696 1.00 70.42 N ATOM 1337 CA LYS A 723 29.154 7.622 -22.580 1.00 63.78 C ATOM 1338 C LYS A 723 30.410 7.262 -23.368 1.00 58.74 C ATOM 1339 O LYS A 723 30.478 7.703 -24.500 1.00 57.77 O ATOM 1340 CB LYS A 723 29.439 8.883 -21.770 1.00 74.45 C ATOM 1341 CG LYS A 723 28.227 9.482 -21.068 1.00 82.08 C ATOM 1342 CD LYS A 723 28.585 10.700 -20.228 1.00 83.80 C ATOM 1343 CE LYS A 723 29.798 10.487 -19.345 1.00 78.10 C ATOM 1344 NZ LYS A 723 29.965 11.600 -18.386 1.00 79.82 N ATOM 1345 HZ1 LYS A 723 30.087 12.491 -18.909 1.00 0.00 H ATOM 1346 HZ2 LYS A 723 29.121 11.664 -17.781 1.00 0.00 H ATOM 1347 HZ3 LYS A 723 30.803 11.425 -17.796 1.00 0.00 H ATOM 1348 H LYS A 723 28.788 6.639 -20.666 1.00 0.00 H ATOM 1349 N THR A 724 31.364 6.532 -22.768 1.00 56.53 N ATOM 1350 CA THR A 724 32.642 6.116 -23.407 1.00 54.25 C ATOM 1351 C THR A 724 32.474 4.848 -24.271 1.00 58.33 C ATOM 1352 O THR A 724 33.497 4.393 -24.837 1.00 51.55 O ATOM 1353 CB THR A 724 33.758 5.901 -22.369 1.00 58.42 C ATOM 1354 OG1 THR A 724 33.415 4.905 -21.401 1.00 48.59 O ATOM 1355 CG2 THR A 724 34.137 7.186 -21.661 1.00 62.71 C ATOM 1356 HG1 THR A 724 32.596 5.183 -20.919 1.00 0.00 H ATOM 1357 H THR A 724 31.198 6.236 -21.785 1.00 0.00 H ATOM 1358 N GLU A 725 31.263 4.274 -24.359 1.00 60.46 N ATOM 1359 CA GLU A 725 31.013 2.963 -25.018 1.00 61.84 C ATOM 1360 C GLU A 725 32.141 2.001 -24.623 1.00 65.36 C ATOM 1361 O GLU A 725 32.777 1.398 -25.527 1.00 73.23 O ATOM 1362 CB GLU A 725 30.937 3.133 -26.538 1.00 64.18 C ATOM 1363 CG GLU A 725 30.189 4.387 -26.973 1.00 76.30 C ATOM 1364 CD GLU A 725 29.306 4.259 -28.206 1.00 73.89 C ATOM 1365 OE1 GLU A 725 29.586 4.969 -29.191 1.00 62.56 O ATOM 1366 OE2 GLU A 725 28.327 3.458 -28.165 1.00 68.08 O ATOM 1367 H GLU A 725 30.452 4.775 -23.942 1.00 0.00 H ATOM 1368 N SER A 726 32.424 1.882 -23.323 1.00 62.96 N ATOM 1369 CA SER A 726 33.395 0.889 -22.793 1.00 60.04 C ATOM 1370 C SER A 726 32.731 -0.490 -22.847 1.00 54.62 C ATOM 1371 O SER A 726 31.513 -0.595 -22.938 1.00 50.27 O ATOM 1372 CB SER A 726 33.871 1.251 -21.410 1.00 62.03 C ATOM 1373 OG SER A 726 33.045 0.645 -20.430 1.00 66.22 O ATOM 1374 HG SER A 726 33.077 -0.339 -20.536 1.00 0.00 H ATOM 1375 H SER A 726 31.943 2.513 -22.651 1.00 0.00 H ATOM 1376 N PRO A 727 33.512 -1.581 -22.855 1.00 51.21 N ATOM 1377 CA PRO A 727 32.965 -2.930 -22.919 1.00 55.27 C ATOM 1378 C PRO A 727 31.837 -3.228 -21.923 1.00 49.26 C ATOM 1379 O PRO A 727 30.864 -3.755 -22.322 1.00 50.65 O ATOM 1380 CB PRO A 727 34.201 -3.779 -22.635 1.00 58.43 C ATOM 1381 CG PRO A 727 35.310 -2.981 -23.232 1.00 54.67 C ATOM 1382 CD PRO A 727 34.960 -1.564 -22.857 1.00 55.19 C ATOM 1383 N LEU A 728 32.002 -2.846 -20.661 1.00 53.16 N ATOM 1384 CA LEU A 728 30.974 -3.063 -19.612 1.00 52.22 C ATOM 1385 C LEU A 728 29.709 -2.290 -19.979 1.00 50.11 C ATOM 1386 O LEU A 728 28.630 -2.781 -19.698 1.00 49.42 O ATOM 1387 CB LEU A 728 31.508 -2.530 -18.285 1.00 59.34 C ATOM 1388 CG LEU A 728 32.106 -3.546 -17.325 1.00 69.18 C ATOM 1389 CD1 LEU A 728 31.715 -3.228 -15.894 1.00 68.74 C ATOM 1390 CD2 LEU A 728 31.701 -4.951 -17.695 1.00 67.70 C ATOM 1391 H LEU A 728 32.890 -2.374 -20.396 1.00 0.00 H ATOM 1392 N GLY A 729 29.856 -1.089 -20.523 1.00 45.65 N ATOM 1393 CA GLY A 729 28.681 -0.301 -20.911 1.00 51.40 C ATOM 1394 C GLY A 729 27.965 -0.950 -22.072 1.00 51.19 C ATOM 1395 O GLY A 729 26.744 -0.976 -22.061 1.00 50.61 O ATOM 1396 H GLY A 729 30.810 -0.704 -20.675 1.00 0.00 H ATOM 1397 N ILE A 730 28.726 -1.496 -23.014 1.00 51.52 N ATOM 1398 CA ILE A 730 28.135 -2.121 -24.225 1.00 46.36 C ATOM 1399 C ILE A 730 27.349 -3.338 -23.740 1.00 47.72 C ATOM 1400 O ILE A 730 26.156 -3.500 -24.106 1.00 47.55 O ATOM 1401 CB ILE A 730 29.245 -2.447 -25.238 1.00 50.46 C ATOM 1402 CG1 ILE A 730 29.834 -1.168 -25.841 1.00 49.95 C ATOM 1403 CG2 ILE A 730 28.746 -3.400 -26.320 1.00 53.14 C ATOM 1404 CD1 ILE A 730 31.229 -1.362 -26.398 1.00 50.21 C ATOM 1405 H ILE A 730 29.760 -1.486 -22.901 1.00 0.00 H ATOM 1406 N LEU A 731 27.969 -4.126 -22.866 1.00 50.88 N ATOM 1407 CA LEU A 731 27.341 -5.361 -22.333 1.00 50.98 C ATOM 1408 C LEU A 731 26.042 -5.020 -21.588 1.00 53.84 C ATOM 1409 O LEU A 731 25.075 -5.783 -21.697 1.00 53.21 O ATOM 1410 CB LEU A 731 28.343 -6.088 -21.442 1.00 45.06 C ATOM 1411 CG LEU A 731 27.805 -7.349 -20.769 1.00 49.28 C ATOM 1412 CD1 LEU A 731 26.977 -8.209 -21.712 1.00 51.29 C ATOM 1413 CD2 LEU A 731 28.942 -8.162 -20.206 1.00 54.68 C ATOM 1414 H LEU A 731 28.924 -3.869 -22.546 1.00 0.00 H ATOM 1415 N SER A 732 26.053 -3.964 -20.787 1.00 62.18 N ATOM 1416 CA SER A 732 24.844 -3.594 -20.015 1.00 56.27 C ATOM 1417 C SER A 732 23.761 -3.129 -20.978 1.00 51.41 C ATOM 1418 O SER A 732 22.649 -3.597 -20.890 1.00 52.18 O ATOM 1419 CB SER A 732 25.178 -2.547 -19.017 1.00 60.79 C ATOM 1420 OG SER A 732 25.976 -3.111 -17.999 1.00 64.51 O ATOM 1421 HG SER A 732 26.809 -3.470 -18.395 1.00 0.00 H ATOM 1422 H SER A 732 26.917 -3.391 -20.700 1.00 0.00 H ATOM 1423 N SER A 733 24.129 -2.248 -21.887 1.00 49.95 N ATOM 1424 CA SER A 733 23.171 -1.718 -22.874 1.00 55.44 C ATOM 1425 C SER A 733 22.637 -2.863 -23.746 1.00 62.16 C ATOM 1426 O SER A 733 21.431 -2.915 -23.955 1.00 62.02 O ATOM 1427 CB SER A 733 23.831 -0.624 -23.644 1.00 54.44 C ATOM 1428 OG SER A 733 23.545 -0.731 -25.012 1.00 63.96 O ATOM 1429 HG SER A 733 23.993 0.004 -25.500 1.00 0.00 H ATOM 1430 H SER A 733 25.116 -1.920 -21.908 1.00 0.00 H ATOM 1431 N ALA A 734 23.497 -3.765 -24.222 1.00 58.53 N ATOM 1432 CA ALA A 734 23.042 -4.881 -25.082 1.00 56.54 C ATOM 1433 C ALA A 734 22.186 -5.852 -24.272 1.00 52.68 C ATOM 1434 O ALA A 734 21.236 -6.399 -24.812 1.00 53.63 O ATOM 1435 CB ALA A 734 24.231 -5.584 -25.672 1.00 57.30 C ATOM 1436 H ALA A 734 24.506 -3.683 -23.984 1.00 0.00 H ATOM 1437 N SER A 735 22.560 -6.031 -23.012 1.00 50.34 N ATOM 1438 CA SER A 735 21.921 -6.910 -22.005 1.00 54.17 C ATOM 1439 C SER A 735 20.573 -6.331 -21.585 1.00 54.03 C ATOM 1440 O SER A 735 19.768 -7.070 -21.061 1.00 57.47 O ATOM 1441 CB SER A 735 22.805 -6.954 -20.804 1.00 56.40 C ATOM 1442 OG SER A 735 23.500 -8.164 -20.720 1.00 51.77 O ATOM 1443 HG SER A 735 24.075 -8.158 -19.914 1.00 0.00 H ATOM 1444 H SER A 735 23.394 -5.495 -22.696 1.00 0.00 H ATOM 1445 N GLY A 736 20.396 -5.023 -21.723 1.00 64.52 N ATOM 1446 CA GLY A 736 19.130 -4.381 -21.330 1.00 70.99 C ATOM 1447 C GLY A 736 19.121 -3.889 -19.891 1.00 75.05 C ATOM 1448 O GLY A 736 18.032 -3.585 -19.406 1.00 73.26 O ATOM 1449 H GLY A 736 21.164 -4.442 -22.115 1.00 0.00 H ATOM 1450 N ASN A 737 20.278 -3.804 -19.231 1.00 72.51 N ATOM 1451 CA ASN A 737 20.322 -3.307 -17.830 1.00 72.08 C ATOM 1452 C ASN A 737 21.264 -2.110 -17.720 1.00 66.68 C ATOM 1453 O ASN A 737 22.457 -2.289 -17.911 1.00 73.08 O ATOM 1454 CB ASN A 737 20.718 -4.377 -16.813 1.00 76.54 C ATOM 1455 CG ASN A 737 20.451 -3.922 -15.395 1.00 79.64 C ATOM 1456 OD1 ASN A 737 20.910 -2.868 -14.990 1.00 67.58 O ATOM 1457 ND2 ASN A 737 19.682 -4.687 -14.643 1.00 76.66 N ATOM 1458 HD22 ASN A 737 19.308 -5.580 -15.022 1.00 0.00 H ATOM 1459 HD21 ASN A 737 19.450 -4.396 -13.672 1.00 0.00 H ATOM 1460 H ASN A 737 21.160 -4.089 -19.703 1.00 0.00 H ATOM 1461 N THR A 738 20.721 -0.958 -17.339 1.00 66.80 N ATOM 1462 CA THR A 738 21.472 0.316 -17.201 1.00 62.51 C ATOM 1463 C THR A 738 22.299 0.344 -15.910 1.00 58.89 C ATOM 1464 O THR A 738 23.164 1.204 -15.799 1.00 58.26 O ATOM 1465 CB THR A 738 20.519 1.517 -17.179 1.00 77.80 C ATOM 1466 OG1 THR A 738 19.173 1.153 -17.490 1.00 70.85 O ATOM 1467 CG2 THR A 738 20.967 2.636 -18.091 1.00 81.06 C ATOM 1468 HG1 THR A 738 18.600 1.960 -17.463 1.00 0.00 H ATOM 1469 H THR A 738 19.704 -0.948 -17.123 1.00 0.00 H ATOM 1470 N SER A 739 22.030 -0.541 -14.958 1.00 47.31 N ATOM 1471 CA SER A 739 22.828 -0.522 -13.710 1.00 45.26 C ATOM 1472 C SER A 739 24.145 -1.253 -13.947 1.00 44.35 C ATOM 1473 O SER A 739 24.318 -2.329 -13.419 1.00 42.93 O ATOM 1474 CB SER A 739 22.069 -1.102 -12.570 1.00 43.00 C ATOM 1475 OG SER A 739 20.782 -0.531 -12.505 1.00 47.99 O ATOM 1476 HG SER A 739 20.862 0.448 -12.378 1.00 0.00 H ATOM 1477 H SER A 739 21.269 -1.238 -15.086 1.00 0.00 H ATOM 1478 N VAL A 740 25.039 -0.635 -14.703 1.00 47.36 N ATOM 1479 CA VAL A 740 26.346 -1.250 -15.052 1.00 48.97 C ATOM 1480 C VAL A 740 27.049 -1.781 -13.807 1.00 48.23 C ATOM 1481 O VAL A 740 27.251 -2.976 -13.733 1.00 48.12 O ATOM 1482 CB VAL A 740 27.251 -0.246 -15.784 1.00 48.18 C ATOM 1483 CG1 VAL A 740 28.515 -0.898 -16.294 1.00 49.50 C ATOM 1484 CG2 VAL A 740 26.525 0.463 -16.903 1.00 49.01 C ATOM 1485 H VAL A 740 24.819 0.315 -15.065 1.00 0.00 H ATOM 1486 N LEU A 741 27.376 -0.894 -12.873 1.00 52.24 N ATOM 1487 CA LEU A 741 28.206 -1.238 -11.684 1.00 52.03 C ATOM 1488 C LEU A 741 27.438 -2.214 -10.794 1.00 47.75 C ATOM 1489 O LEU A 741 28.054 -3.170 -10.278 1.00 39.60 O ATOM 1490 CB LEU A 741 28.553 0.023 -10.891 1.00 57.59 C ATOM 1491 CG LEU A 741 29.616 0.943 -11.497 1.00 58.74 C ATOM 1492 CD1 LEU A 741 29.463 2.367 -10.982 1.00 52.52 C ATOM 1493 CD2 LEU A 741 31.014 0.421 -11.202 1.00 56.47 C ATOM 1494 H LEU A 741 27.038 0.084 -12.976 1.00 0.00 H ATOM 1495 N GLU A 742 26.146 -1.987 -10.602 1.00 43.28 N ATOM 1496 CA GLU A 742 25.407 -2.740 -9.549 1.00 49.98 C ATOM 1497 C GLU A 742 25.403 -4.208 -9.947 1.00 41.95 C ATOM 1498 O GLU A 742 25.655 -5.048 -9.072 1.00 45.30 O ATOM 1499 CB GLU A 742 24.007 -2.176 -9.308 1.00 50.14 C ATOM 1500 CG GLU A 742 24.028 -0.787 -8.675 1.00 49.57 C ATOM 1501 CD GLU A 742 24.467 0.390 -9.536 1.00 50.55 C ATOM 1502 OE1 GLU A 742 24.349 0.314 -10.784 1.00 43.81 O ATOM 1503 OE2 GLU A 742 24.939 1.384 -8.956 1.00 48.87 O ATOM 1504 H GLU A 742 25.649 -1.284 -11.185 1.00 0.00 H ATOM 1505 N VAL A 743 25.203 -4.496 -11.229 1.00 48.38 N ATOM 1506 CA VAL A 743 25.183 -5.892 -11.765 1.00 47.40 C ATOM 1507 C VAL A 743 26.590 -6.515 -11.609 1.00 42.42 C ATOM 1508 O VAL A 743 26.690 -7.664 -11.196 1.00 42.61 O ATOM 1509 CB VAL A 743 24.654 -5.933 -13.214 1.00 52.03 C ATOM 1510 CG1 VAL A 743 24.839 -7.303 -13.841 1.00 54.07 C ATOM 1511 CG2 VAL A 743 23.186 -5.538 -13.286 1.00 51.70 C ATOM 1512 H VAL A 743 25.053 -3.710 -11.894 1.00 0.00 H ATOM 1513 N HIS A 744 27.646 -5.769 -11.890 1.00 44.19 N ATOM 1514 CA HIS A 744 29.049 -6.187 -11.659 1.00 45.58 C ATOM 1515 C HIS A 744 29.197 -6.622 -10.194 1.00 48.53 C ATOM 1516 O HIS A 744 29.704 -7.750 -9.942 1.00 48.98 O ATOM 1517 CB HIS A 744 30.021 -5.067 -12.080 1.00 51.15 C ATOM 1518 CG HIS A 744 31.453 -5.484 -12.032 1.00 61.92 C ATOM 1519 ND1 HIS A 744 31.936 -6.548 -12.782 1.00 59.88 N ATOM 1520 CD2 HIS A 744 32.507 -5.005 -11.327 1.00 67.78 C ATOM 1521 CE1 HIS A 744 33.223 -6.696 -12.543 1.00 64.45 C ATOM 1522 NE2 HIS A 744 33.599 -5.769 -11.652 1.00 63.04 N ATOM 1523 H HIS A 744 27.481 -4.828 -12.300 1.00 0.00 H ATOM 1524 N HIS A 745 28.731 -5.788 -9.254 1.00 48.15 N ATOM 1525 CA HIS A 745 28.891 -6.015 -7.789 1.00 40.70 C ATOM 1526 C HIS A 745 28.250 -7.349 -7.470 1.00 37.61 C ATOM 1527 O HIS A 745 28.891 -8.179 -6.799 1.00 45.76 O ATOM 1528 CB HIS A 745 28.312 -4.879 -6.926 1.00 43.33 C ATOM 1529 CG HIS A 745 28.837 -3.526 -7.253 1.00 38.10 C ATOM 1530 ND1 HIS A 745 30.166 -3.317 -7.616 1.00 38.52 N ATOM 1531 CD2 HIS A 745 28.230 -2.322 -7.305 1.00 40.93 C ATOM 1532 CE1 HIS A 745 30.353 -2.032 -7.881 1.00 39.99 C ATOM 1533 NE2 HIS A 745 29.177 -1.384 -7.690 1.00 40.53 N ATOM 1534 H HIS A 745 28.228 -4.932 -9.565 1.00 0.00 H ATOM 1535 N CYS A 746 27.054 -7.595 -7.987 1.00 36.66 N ATOM 1536 CA CYS A 746 26.286 -8.827 -7.642 1.00 36.92 C ATOM 1537 C CYS A 746 26.998 -10.061 -8.211 1.00 46.15 C ATOM 1538 O CYS A 746 26.921 -11.129 -7.560 1.00 49.59 O ATOM 1539 CB CYS A 746 24.880 -8.765 -8.206 1.00 40.54 C ATOM 1540 SG CYS A 746 23.849 -7.523 -7.391 1.00 44.74 S ATOM 1541 H CYS A 746 26.640 -6.910 -8.651 1.00 0.00 H ATOM 1542 N ASN A 747 27.591 -9.932 -9.414 1.00 44.43 N ATOM 1543 CA ASN A 747 28.346 -11.010 -10.110 1.00 46.79 C ATOM 1544 C ASN A 747 29.480 -11.476 -9.179 1.00 42.68 C ATOM 1545 O ASN A 747 29.519 -12.689 -8.883 1.00 42.54 O ATOM 1546 CB ASN A 747 28.766 -10.584 -11.534 1.00 51.41 C ATOM 1547 CG ASN A 747 27.656 -10.789 -12.555 1.00 55.15 C ATOM 1548 OD1 ASN A 747 26.995 -11.836 -12.534 1.00 53.42 O ATOM 1549 ND2 ASN A 747 27.453 -9.828 -13.456 1.00 48.98 N ATOM 1550 HD22 ASN A 747 28.033 -8.965 -13.435 1.00 0.00 H ATOM 1551 HD21 ASN A 747 26.715 -9.941 -14.180 1.00 0.00 H ATOM 1552 H ASN A 747 27.516 -9.011 -9.892 1.00 0.00 H ATOM 1553 N LEU A 748 30.278 -10.548 -8.637 1.00 43.88 N ATOM 1554 CA LEU A 748 31.418 -10.858 -7.734 1.00 43.67 C ATOM 1555 C LEU A 748 30.913 -11.411 -6.402 1.00 49.99 C ATOM 1556 O LEU A 748 31.569 -12.314 -5.823 1.00 51.65 O ATOM 1557 CB LEU A 748 32.258 -9.596 -7.517 1.00 48.41 C ATOM 1558 CG LEU A 748 32.777 -8.907 -8.780 1.00 51.68 C ATOM 1559 CD1 LEU A 748 33.762 -7.802 -8.434 1.00 53.50 C ATOM 1560 CD2 LEU A 748 33.430 -9.897 -9.729 1.00 56.01 C ATOM 1561 H LEU A 748 30.089 -9.550 -8.861 1.00 0.00 H ATOM 1562 N ALA A 749 29.796 -10.891 -5.902 1.00 52.73 N ATOM 1563 CA ALA A 749 29.245 -11.356 -4.614 1.00 50.58 C ATOM 1564 C ALA A 749 28.935 -12.836 -4.777 1.00 48.59 C ATOM 1565 O ALA A 749 29.360 -13.595 -3.939 1.00 46.79 O ATOM 1566 CB ALA A 749 28.035 -10.553 -4.190 1.00 50.07 C ATOM 1567 H ALA A 749 29.301 -10.143 -6.428 1.00 0.00 H ATOM 1568 N VAL A 750 28.220 -13.210 -5.839 1.00 56.50 N ATOM 1569 CA VAL A 750 27.816 -14.626 -6.116 1.00 61.00 C ATOM 1570 C VAL A 750 29.090 -15.489 -6.211 1.00 59.47 C ATOM 1571 O VAL A 750 29.060 -16.609 -5.679 1.00 66.28 O ATOM 1572 CB VAL A 750 26.930 -14.733 -7.380 1.00 55.77 C ATOM 1573 CG1 VAL A 750 26.899 -16.139 -7.959 1.00 48.54 C ATOM 1574 CG2 VAL A 750 25.515 -14.233 -7.121 1.00 52.82 C ATOM 1575 H VAL A 750 27.926 -12.476 -6.514 1.00 0.00 H ATOM 1576 N GLU A 751 30.158 -14.982 -6.845 1.00 67.76 N ATOM 1577 CA GLU A 751 31.491 -15.658 -6.948 1.00 72.39 C ATOM 1578 C GLU A 751 31.933 -16.059 -5.542 1.00 65.04 C ATOM 1579 O GLU A 751 32.116 -17.257 -5.305 1.00 69.96 O ATOM 1580 CB GLU A 751 32.584 -14.765 -7.555 1.00 73.16 C ATOM 1581 CG GLU A 751 33.120 -15.225 -8.911 1.00 84.08 C ATOM 1582 CD GLU A 751 34.084 -14.249 -9.593 1.00 87.80 C ATOM 1583 OE1 GLU A 751 33.659 -13.602 -10.584 1.00 68.87 O ATOM 1584 OE2 GLU A 751 35.261 -14.117 -9.129 1.00 89.41 O ATOM 1585 H GLU A 751 30.053 -14.052 -7.298 1.00 0.00 H ATOM 1586 N ILE A 752 32.057 -15.080 -4.652 1.00 60.28 N ATOM 1587 CA ILE A 752 32.617 -15.260 -3.286 1.00 60.72 C ATOM 1588 C ILE A 752 31.826 -16.328 -2.534 1.00 60.23 C ATOM 1589 O ILE A 752 32.456 -17.092 -1.802 1.00 72.92 O ATOM 1590 CB ILE A 752 32.674 -13.921 -2.538 1.00 64.52 C ATOM 1591 CG1 ILE A 752 33.744 -13.016 -3.147 1.00 59.39 C ATOM 1592 CG2 ILE A 752 32.900 -14.138 -1.050 1.00 68.16 C ATOM 1593 CD1 ILE A 752 33.843 -11.679 -2.487 1.00 60.54 C ATOM 1594 H ILE A 752 31.743 -14.128 -4.928 1.00 0.00 H ATOM 1595 N LEU A 753 30.513 -16.350 -2.716 1.00 64.39 N ATOM 1596 CA LEU A 753 29.628 -17.247 -1.937 1.00 63.35 C ATOM 1597 C LEU A 753 29.458 -18.624 -2.580 1.00 59.80 C ATOM 1598 O LEU A 753 28.762 -19.440 -1.989 1.00 65.05 O ATOM 1599 CB LEU A 753 28.292 -16.533 -1.731 1.00 59.28 C ATOM 1600 CG LEU A 753 28.399 -15.193 -1.012 1.00 62.39 C ATOM 1601 CD1 LEU A 753 27.112 -14.410 -1.130 1.00 68.87 C ATOM 1602 CD2 LEU A 753 28.759 -15.385 0.443 1.00 60.11 C ATOM 1603 H LEU A 753 30.092 -15.719 -3.427 1.00 0.00 H ATOM 1604 N SER A 754 30.075 -18.880 -3.728 1.00 62.42 N ATOM 1605 CA SER A 754 29.947 -20.224 -4.350 1.00 70.38 C ATOM 1606 C SER A 754 31.006 -21.158 -3.753 1.00 69.42 C ATOM 1607 O SER A 754 30.869 -22.379 -3.893 1.00 61.94 O ATOM 1608 CB SER A 754 30.032 -20.160 -5.843 1.00 65.23 C ATOM 1609 OG SER A 754 31.263 -19.615 -6.238 1.00 53.67 O ATOM 1610 HG SER A 754 31.351 -18.700 -5.869 1.00 0.00 H ATOM 1611 H SER A 754 30.645 -18.143 -4.190 1.00 0.00 H ATOM 1612 N ASP A 755 32.006 -20.564 -3.104 1.00 63.54 N ATOM 1613 CA ASP A 755 33.106 -21.271 -2.407 1.00 73.10 C ATOM 1614 C ASP A 755 32.714 -21.442 -0.937 1.00 82.76 C ATOM 1615 O ASP A 755 32.745 -20.452 -0.215 1.00 74.73 O ATOM 1616 CB ASP A 755 34.385 -20.453 -2.510 1.00 72.59 C ATOM 1617 CG ASP A 755 35.391 -20.854 -1.462 1.00 86.63 C ATOM 1618 OD1 ASP A 755 35.352 -22.016 -1.053 1.00 86.72 O ATOM 1619 OD2 ASP A 755 36.184 -19.993 -1.057 1.00 95.19 O ATOM 1620 H ASP A 755 32.016 -19.524 -3.085 1.00 0.00 H ATOM 1621 N PRO A 756 32.399 -22.664 -0.458 1.00 88.57 N ATOM 1622 CA PRO A 756 31.919 -22.885 0.912 1.00 81.61 C ATOM 1623 C PRO A 756 32.792 -22.293 2.021 1.00 74.38 C ATOM 1624 O PRO A 756 32.274 -21.937 3.028 1.00 70.65 O ATOM 1625 CB PRO A 756 31.866 -24.408 1.017 1.00 82.06 C ATOM 1626 CG PRO A 756 31.613 -24.832 -0.395 1.00 84.19 C ATOM 1627 CD PRO A 756 32.509 -23.914 -1.193 1.00 86.36 C ATOM 1628 N GLU A 757 34.096 -22.243 1.792 1.00 80.36 N ATOM 1629 CA GLU A 757 35.066 -21.662 2.764 1.00 81.36 C ATOM 1630 C GLU A 757 34.711 -20.204 3.084 1.00 81.15 C ATOM 1631 O GLU A 757 35.120 -19.745 4.171 1.00 73.64 O ATOM 1632 CB GLU A 757 36.498 -21.701 2.215 1.00 98.10 C ATOM 1633 CG GLU A 757 37.014 -23.099 1.890 1.00102.86 C ATOM 1634 CD GLU A 757 37.394 -23.931 3.098 1.00102.23 C ATOM 1635 OE1 GLU A 757 36.490 -24.264 3.901 1.00 98.18 O ATOM 1636 OE2 GLU A 757 38.596 -24.229 3.234 1.00103.99 O ATOM 1637 H GLU A 757 34.459 -22.626 0.896 1.00 0.00 H ATOM 1638 N SER A 758 34.007 -19.499 2.178 1.00 80.81 N ATOM 1639 CA SER A 758 33.613 -18.067 2.325 1.00 66.72 C ATOM 1640 C SER A 758 32.097 -17.839 2.124 1.00 59.67 C ATOM 1641 O SER A 758 31.712 -16.666 1.946 1.00 58.84 O ATOM 1642 CB SER A 758 34.443 -17.201 1.408 1.00 64.63 C ATOM 1643 OG SER A 758 34.358 -17.669 0.079 1.00 71.53 O ATOM 1644 HG SER A 758 33.414 -17.643 -0.219 1.00 0.00 H ATOM 1645 H SER A 758 33.715 -19.990 1.309 1.00 0.00 H ATOM 1646 N ASP A 759 31.254 -18.880 2.201 1.00 52.19 N ATOM 1647 CA ASP A 759 29.782 -18.777 1.993 1.00 54.23 C ATOM 1648 C ASP A 759 29.135 -18.622 3.367 1.00 57.28 C ATOM 1649 O ASP A 759 28.827 -19.666 4.014 1.00 56.60 O ATOM 1650 CB ASP A 759 29.148 -19.955 1.226 1.00 54.74 C ATOM 1651 CG ASP A 759 27.660 -19.774 0.863 1.00 60.93 C ATOM 1652 OD1 ASP A 759 27.112 -18.703 1.149 1.00 63.31 O ATOM 1653 OD2 ASP A 759 27.036 -20.701 0.277 1.00 62.72 O ATOM 1654 H ASP A 759 31.652 -19.816 2.419 1.00 0.00 H ATOM 1655 N VAL A 760 28.892 -17.374 3.768 1.00 48.33 N ATOM 1656 CA VAL A 760 28.215 -17.060 5.060 1.00 49.91 C ATOM 1657 C VAL A 760 26.768 -17.568 5.036 1.00 45.47 C ATOM 1658 O VAL A 760 26.141 -17.553 6.094 1.00 41.24 O ATOM 1659 CB VAL A 760 28.307 -15.566 5.398 1.00 56.80 C ATOM 1660 CG1 VAL A 760 29.759 -15.128 5.587 1.00 58.87 C ATOM 1661 CG2 VAL A 760 27.614 -14.707 4.348 1.00 62.26 C ATOM 1662 H VAL A 760 29.186 -16.587 3.155 1.00 0.00 H ATOM 1663 N PHE A 761 26.268 -18.084 3.908 1.00 48.50 N ATOM 1664 CA PHE A 761 24.873 -18.597 3.808 1.00 48.60 C ATOM 1665 C PHE A 761 24.877 -20.120 3.679 1.00 47.46 C ATOM 1666 O PHE A 761 23.774 -20.689 3.596 1.00 47.76 O ATOM 1667 CB PHE A 761 24.090 -17.902 2.683 1.00 58.38 C ATOM 1668 CG PHE A 761 24.081 -16.388 2.716 1.00 59.58 C ATOM 1669 CD1 PHE A 761 23.779 -15.692 3.880 1.00 61.07 C ATOM 1670 CD2 PHE A 761 24.383 -15.650 1.578 1.00 58.37 C ATOM 1671 CE1 PHE A 761 23.824 -14.303 3.909 1.00 59.94 C ATOM 1672 CE2 PHE A 761 24.395 -14.261 1.606 1.00 58.00 C ATOM 1673 CZ PHE A 761 24.124 -13.588 2.772 1.00 55.73 C ATOM 1674 H PHE A 761 26.878 -18.129 3.067 1.00 0.00 H ATOM 1675 N ASP A 762 26.043 -20.778 3.771 1.00 50.42 N ATOM 1676 CA ASP A 762 26.149 -22.254 3.586 1.00 53.07 C ATOM 1677 C ASP A 762 25.225 -22.960 4.586 1.00 56.24 C ATOM 1678 O ASP A 762 24.643 -24.003 4.245 1.00 57.73 O ATOM 1679 CB ASP A 762 27.599 -22.713 3.718 1.00 62.18 C ATOM 1680 CG ASP A 762 27.873 -24.184 3.429 1.00 62.92 C ATOM 1681 OD1 ASP A 762 27.391 -24.707 2.404 1.00 68.87 O ATOM 1682 OD2 ASP A 762 28.596 -24.787 4.233 1.00 76.27 O ATOM 1683 H ASP A 762 26.907 -20.237 3.980 1.00 0.00 H ATOM 1684 N GLY A 763 25.053 -22.372 5.766 1.00 55.63 N ATOM 1685 CA GLY A 763 24.195 -22.907 6.832 1.00 57.28 C ATOM 1686 C GLY A 763 22.720 -22.856 6.491 1.00 58.65 C ATOM 1687 O GLY A 763 21.938 -23.497 7.225 1.00 62.79 O ATOM 1688 H GLY A 763 25.556 -21.480 5.945 1.00 0.00 H ATOM 1689 N LEU A 764 22.330 -22.153 5.422 1.00 58.18 N ATOM 1690 CA LEU A 764 20.898 -22.012 5.025 1.00 54.83 C ATOM 1691 C LEU A 764 20.569 -23.102 4.020 1.00 56.09 C ATOM 1692 O LEU A 764 21.512 -23.550 3.361 1.00 57.85 O ATOM 1693 CB LEU A 764 20.690 -20.628 4.409 1.00 49.75 C ATOM 1694 CG LEU A 764 21.312 -19.491 5.204 1.00 42.73 C ATOM 1695 CD1 LEU A 764 21.065 -18.168 4.536 1.00 43.43 C ATOM 1696 CD2 LEU A 764 20.776 -19.486 6.630 1.00 49.27 C ATOM 1697 H LEU A 764 23.056 -21.685 4.843 1.00 0.00 H ATOM 1698 N GLU A 765 19.296 -23.480 3.887 1.00 56.76 N ATOM 1699 CA GLU A 765 18.828 -24.236 2.697 1.00 60.26 C ATOM 1700 C GLU A 765 17.401 -23.817 2.322 1.00 57.28 C ATOM 1701 O GLU A 765 16.783 -23.023 3.064 1.00 60.55 O ATOM 1702 CB GLU A 765 18.982 -25.745 2.895 1.00 70.51 C ATOM 1703 CG GLU A 765 19.064 -26.548 1.569 1.00 90.26 C ATOM 1704 CD GLU A 765 19.890 -26.009 0.381 1.00 90.55 C ATOM 1705 OE1 GLU A 765 21.126 -25.736 0.548 1.00 90.52 O ATOM 1706 OE2 GLU A 765 19.308 -25.858 -0.736 1.00 67.78 O ATOM 1707 H GLU A 765 18.615 -23.239 4.635 1.00 0.00 H ATOM 1708 N GLY A 766 16.950 -24.278 1.152 1.00 50.30 N ATOM 1709 CA GLY A 766 15.578 -24.105 0.662 1.00 49.31 C ATOM 1710 C GLY A 766 15.207 -22.640 0.641 1.00 51.12 C ATOM 1711 O GLY A 766 16.046 -21.829 0.229 1.00 44.18 O ATOM 1712 H GLY A 766 17.618 -24.796 0.546 1.00 0.00 H ATOM 1713 N ALA A 767 13.992 -22.323 1.067 1.00 47.16 N ATOM 1714 CA ALA A 767 13.473 -20.944 1.018 1.00 48.77 C ATOM 1715 C ALA A 767 14.432 -19.930 1.647 1.00 46.09 C ATOM 1716 O ALA A 767 14.588 -18.889 1.059 1.00 48.40 O ATOM 1717 CB ALA A 767 12.111 -20.898 1.639 1.00 45.64 C ATOM 1718 H ALA A 767 13.383 -23.074 1.450 1.00 0.00 H ATOM 1719 N GLU A 768 15.061 -20.251 2.773 1.00 45.19 N ATOM 1720 CA GLU A 768 15.944 -19.290 3.484 1.00 49.08 C ATOM 1721 C GLU A 768 17.145 -18.908 2.627 1.00 41.00 C ATOM 1722 O GLU A 768 17.450 -17.744 2.566 1.00 48.34 O ATOM 1723 CB GLU A 768 16.402 -19.846 4.830 1.00 51.58 C ATOM 1724 CG GLU A 768 15.351 -19.759 5.911 1.00 61.17 C ATOM 1725 CD GLU A 768 15.814 -20.057 7.324 1.00 65.50 C ATOM 1726 OE1 GLU A 768 16.866 -20.659 7.487 1.00 64.30 O ATOM 1727 OE2 GLU A 768 15.106 -19.690 8.251 1.00 70.59 O ATOM 1728 H GLU A 768 14.931 -21.204 3.169 1.00 0.00 H ATOM 1729 N ARG A 769 17.819 -19.897 2.061 1.00 47.14 N ATOM 1730 CA ARG A 769 19.009 -19.739 1.180 1.00 45.70 C ATOM 1731 C ARG A 769 18.620 -18.882 -0.031 1.00 43.84 C ATOM 1732 O ARG A 769 19.343 -17.915 -0.358 1.00 41.52 O ATOM 1733 CB ARG A 769 19.543 -21.100 0.701 1.00 47.45 C ATOM 1734 CG ARG A 769 20.837 -20.997 -0.107 1.00 52.25 C ATOM 1735 CD ARG A 769 21.688 -22.268 -0.195 1.00 52.72 C ATOM 1736 NE ARG A 769 22.812 -22.051 -1.107 1.00 51.77 N ATOM 1737 CZ ARG A 769 23.977 -21.490 -0.791 1.00 48.33 C ATOM 1738 NH1 ARG A 769 24.236 -21.098 0.446 1.00 53.82 N ATOM 1739 NH2 ARG A 769 24.881 -21.299 -1.730 1.00 47.46 N ATOM 1740 HE ARG A 769 22.689 -22.364 -2.091 1.00 0.00 H ATOM 1741 HH12 ARG A 769 25.153 -20.662 0.672 1.00 0.00 H ATOM 1742 HH11 ARG A 769 23.523 -21.226 1.192 1.00 0.00 H ATOM 1743 HH22 ARG A 769 25.794 -20.861 -1.492 1.00 0.00 H ATOM 1744 HH21 ARG A 769 24.682 -21.586 -2.710 1.00 0.00 H ATOM 1745 H ARG A 769 17.490 -20.866 2.247 1.00 0.00 H ATOM 1746 N THR A 770 17.488 -19.212 -0.634 1.00 43.35 N ATOM 1747 CA THR A 770 16.958 -18.437 -1.774 1.00 48.86 C ATOM 1748 C THR A 770 16.733 -16.990 -1.331 1.00 49.03 C ATOM 1749 O THR A 770 17.261 -16.110 -1.993 1.00 45.85 O ATOM 1750 CB THR A 770 15.641 -19.032 -2.269 1.00 49.16 C ATOM 1751 OG1 THR A 770 15.918 -20.354 -2.704 1.00 53.81 O ATOM 1752 CG2 THR A 770 15.048 -18.259 -3.419 1.00 52.38 C ATOM 1753 HG1 THR A 770 15.084 -20.773 -3.033 1.00 0.00 H ATOM 1754 H THR A 770 16.958 -20.040 -0.295 1.00 0.00 H ATOM 1755 N LEU A 771 15.988 -16.781 -0.242 1.00 46.59 N ATOM 1756 CA LEU A 771 15.682 -15.416 0.274 1.00 47.56 C ATOM 1757 C LEU A 771 17.011 -14.665 0.492 1.00 43.10 C ATOM 1758 O LEU A 771 17.124 -13.492 0.105 1.00 43.72 O ATOM 1759 CB LEU A 771 14.870 -15.489 1.569 1.00 49.40 C ATOM 1760 CG LEU A 771 14.166 -14.190 1.982 1.00 51.76 C ATOM 1761 CD1 LEU A 771 13.131 -14.443 3.072 1.00 54.34 C ATOM 1762 CD2 LEU A 771 15.154 -13.145 2.471 1.00 53.08 C ATOM 1763 H LEU A 771 15.606 -17.604 0.267 1.00 0.00 H ATOM 1764 N ALA A 772 18.017 -15.312 1.056 1.00 40.45 N ATOM 1765 CA ALA A 772 19.281 -14.619 1.386 1.00 41.84 C ATOM 1766 C ALA A 772 19.900 -14.080 0.104 1.00 41.03 C ATOM 1767 O ALA A 772 20.308 -12.920 0.099 1.00 47.68 O ATOM 1768 CB ALA A 772 20.218 -15.540 2.128 1.00 46.41 C ATOM 1769 H ALA A 772 17.918 -16.325 1.271 1.00 0.00 H ATOM 1770 N PHE A 773 19.946 -14.885 -0.962 1.00 41.35 N ATOM 1771 CA PHE A 773 20.484 -14.466 -2.280 1.00 40.33 C ATOM 1772 C PHE A 773 19.532 -13.454 -2.948 1.00 35.77 C ATOM 1773 O PHE A 773 19.980 -12.389 -3.395 1.00 34.05 O ATOM 1774 CB PHE A 773 20.772 -15.705 -3.127 1.00 43.45 C ATOM 1775 CG PHE A 773 22.097 -16.364 -2.837 1.00 42.25 C ATOM 1776 CD1 PHE A 773 23.245 -15.967 -3.504 1.00 47.50 C ATOM 1777 CD2 PHE A 773 22.195 -17.394 -1.928 1.00 44.96 C ATOM 1778 CE1 PHE A 773 24.465 -16.574 -3.260 1.00 45.30 C ATOM 1779 CE2 PHE A 773 23.408 -18.024 -1.704 1.00 43.56 C ATOM 1780 CZ PHE A 773 24.541 -17.607 -2.363 1.00 45.64 C ATOM 1781 H PHE A 773 19.586 -15.856 -0.863 1.00 0.00 H ATOM 1782 N ARG A 774 18.239 -13.734 -3.022 1.00 32.49 N ATOM 1783 CA ARG A 774 17.329 -12.788 -3.722 1.00 34.65 C ATOM 1784 C ARG A 774 17.380 -11.390 -3.094 1.00 34.94 C ATOM 1785 O ARG A 774 17.582 -10.450 -3.821 1.00 38.22 O ATOM 1786 CB ARG A 774 15.920 -13.372 -3.819 1.00 41.15 C ATOM 1787 CG ARG A 774 14.983 -12.607 -4.736 1.00 45.59 C ATOM 1788 CD ARG A 774 15.565 -12.152 -6.055 1.00 54.00 C ATOM 1789 NE ARG A 774 14.713 -11.179 -6.716 1.00 60.89 N ATOM 1790 CZ ARG A 774 13.908 -11.425 -7.735 1.00 61.85 C ATOM 1791 NH1 ARG A 774 13.834 -12.633 -8.251 1.00 58.06 N ATOM 1792 NH2 ARG A 774 13.174 -10.457 -8.239 1.00 60.44 N ATOM 1793 HE ARG A 774 14.739 -10.204 -6.356 1.00 0.00 H ATOM 1794 HH12 ARG A 774 13.198 -12.818 -9.053 1.00 0.00 H ATOM 1795 HH11 ARG A 774 14.412 -13.403 -7.857 1.00 0.00 H ATOM 1796 HH22 ARG A 774 12.540 -10.649 -9.041 1.00 0.00 H ATOM 1797 HH21 ARG A 774 13.228 -9.500 -7.836 1.00 0.00 H ATOM 1798 H ARG A 774 17.864 -14.605 -2.595 1.00 0.00 H ATOM 1799 N SER A 775 17.361 -11.312 -1.772 1.00 37.79 N ATOM 1800 CA SER A 775 17.339 -10.026 -1.020 1.00 38.57 C ATOM 1801 C SER A 775 18.714 -9.368 -1.080 1.00 33.90 C ATOM 1802 O SER A 775 18.762 -8.179 -1.341 1.00 38.97 O ATOM 1803 CB SER A 775 16.839 -10.190 0.394 1.00 43.00 C ATOM 1804 OG SER A 775 17.726 -10.986 1.162 1.00 45.97 O ATOM 1805 HG SER A 775 17.806 -11.882 0.749 1.00 0.00 H ATOM 1806 H SER A 775 17.361 -12.198 -1.228 1.00 0.00 H ATOM 1807 N MET A 776 19.808 -10.107 -1.019 1.00 34.71 N ATOM 1808 CA MET A 776 21.147 -9.460 -1.168 1.00 37.81 C ATOM 1809 C MET A 776 21.206 -8.757 -2.522 1.00 35.89 C ATOM 1810 O MET A 776 21.714 -7.648 -2.616 1.00 35.71 O ATOM 1811 CB MET A 776 22.296 -10.470 -1.058 1.00 37.98 C ATOM 1812 CG MET A 776 23.621 -9.965 -1.592 1.00 41.97 C ATOM 1813 SD MET A 776 24.970 -11.227 -1.350 1.00 48.52 S ATOM 1814 CE MET A 776 24.804 -12.147 -2.882 1.00 48.43 C ATOM 1815 H MET A 776 19.737 -11.134 -0.868 1.00 0.00 H ATOM 1816 N ILE A 777 20.658 -9.381 -3.553 1.00 41.96 N ATOM 1817 CA ILE A 777 20.786 -8.880 -4.949 1.00 41.54 C ATOM 1818 C ILE A 777 19.802 -7.711 -5.169 1.00 39.38 C ATOM 1819 O ILE A 777 20.195 -6.644 -5.735 1.00 38.03 O ATOM 1820 CB ILE A 777 20.633 -10.083 -5.908 1.00 39.76 C ATOM 1821 CG1 ILE A 777 21.905 -10.939 -5.884 1.00 40.34 C ATOM 1822 CG2 ILE A 777 20.299 -9.643 -7.307 1.00 38.86 C ATOM 1823 CD1 ILE A 777 21.706 -12.292 -6.483 1.00 42.37 C ATOM 1824 H ILE A 777 20.118 -10.253 -3.381 1.00 0.00 H ATOM 1825 N ASP A 778 18.548 -7.885 -4.790 1.00 40.01 N ATOM 1826 CA ASP A 778 17.542 -6.790 -4.882 1.00 44.42 C ATOM 1827 C ASP A 778 18.131 -5.550 -4.179 1.00 43.94 C ATOM 1828 O ASP A 778 18.030 -4.484 -4.744 1.00 45.86 O ATOM 1829 CB ASP A 778 16.202 -7.222 -4.282 1.00 40.24 C ATOM 1830 CG ASP A 778 15.420 -8.265 -5.073 1.00 46.69 C ATOM 1831 OD1 ASP A 778 15.665 -8.420 -6.314 1.00 46.57 O ATOM 1832 OD2 ASP A 778 14.526 -8.908 -4.451 1.00 48.90 O ATOM 1833 H ASP A 778 18.256 -8.811 -4.418 1.00 0.00 H ATOM 1834 N CYS A 779 18.772 -5.710 -3.011 1.00 42.76 N ATOM 1835 CA CYS A 779 19.330 -4.589 -2.229 1.00 39.22 C ATOM 1836 C CYS A 779 20.442 -3.918 -3.026 1.00 37.36 C ATOM 1837 O CYS A 779 20.401 -2.706 -3.161 1.00 36.93 O ATOM 1838 CB CYS A 779 19.789 -5.007 -0.837 1.00 40.93 C ATOM 1839 SG CYS A 779 18.402 -5.278 0.305 1.00 42.39 S ATOM 1840 H CYS A 779 18.881 -6.674 -2.637 1.00 0.00 H ATOM 1841 N VAL A 780 21.405 -4.668 -3.541 1.00 39.42 N ATOM 1842 CA VAL A 780 22.557 -4.073 -4.290 1.00 39.10 C ATOM 1843 C VAL A 780 22.061 -3.322 -5.522 1.00 39.89 C ATOM 1844 O VAL A 780 22.551 -2.197 -5.763 1.00 37.33 O ATOM 1845 CB VAL A 780 23.560 -5.136 -4.734 1.00 38.57 C ATOM 1846 CG1 VAL A 780 24.721 -4.475 -5.475 1.00 36.17 C ATOM 1847 CG2 VAL A 780 24.026 -5.944 -3.538 1.00 39.10 C ATOM 1848 H VAL A 780 21.360 -5.700 -3.422 1.00 0.00 H ATOM 1849 N LEU A 781 21.155 -3.944 -6.277 1.00 40.09 N ATOM 1850 CA LEU A 781 20.503 -3.332 -7.468 1.00 43.69 C ATOM 1851 C LEU A 781 19.751 -2.041 -7.102 1.00 40.56 C ATOM 1852 O LEU A 781 19.735 -1.128 -7.929 1.00 46.75 O ATOM 1853 CB LEU A 781 19.561 -4.350 -8.130 1.00 42.95 C ATOM 1854 CG LEU A 781 20.256 -5.525 -8.831 1.00 42.20 C ATOM 1855 CD1 LEU A 781 19.244 -6.544 -9.331 1.00 43.47 C ATOM 1856 CD2 LEU A 781 21.095 -5.049 -9.979 1.00 38.52 C ATOM 1857 H LEU A 781 20.887 -4.915 -6.019 1.00 0.00 H ATOM 1858 N ALA A 782 19.176 -1.944 -5.908 1.00 43.72 N ATOM 1859 CA ALA A 782 18.478 -0.726 -5.435 1.00 40.31 C ATOM 1860 C ALA A 782 19.460 0.403 -5.072 1.00 38.48 C ATOM 1861 O ALA A 782 18.982 1.515 -4.861 1.00 41.48 O ATOM 1862 CB ALA A 782 17.613 -1.085 -4.274 1.00 40.92 C ATOM 1863 H ALA A 782 19.218 -2.766 -5.272 1.00 0.00 H ATOM 1864 N THR A 783 20.778 0.165 -4.971 1.00 39.48 N ATOM 1865 CA THR A 783 21.757 1.222 -4.583 1.00 37.73 C ATOM 1866 C THR A 783 22.026 2.153 -5.754 1.00 45.03 C ATOM 1867 O THR A 783 22.691 3.195 -5.521 1.00 46.29 O ATOM 1868 CB THR A 783 23.068 0.639 -4.050 1.00 43.22 C ATOM 1869 OG1 THR A 783 23.748 -0.171 -5.019 1.00 42.34 O ATOM 1870 CG2 THR A 783 22.789 -0.158 -2.798 1.00 43.97 C ATOM 1871 HG1 THR A 783 23.165 -0.926 -5.284 1.00 0.00 H ATOM 1872 H THR A 783 21.130 -0.793 -5.171 1.00 0.00 H ATOM 1873 N ASP A 784 21.582 1.782 -6.970 1.00 45.00 N ATOM 1874 CA ASP A 784 21.682 2.646 -8.174 1.00 45.49 C ATOM 1875 C ASP A 784 20.806 3.889 -7.982 1.00 43.03 C ATOM 1876 O ASP A 784 19.590 3.729 -7.970 1.00 37.46 O ATOM 1877 CB ASP A 784 21.215 1.921 -9.438 1.00 49.85 C ATOM 1878 CG ASP A 784 21.434 2.690 -10.736 1.00 48.36 C ATOM 1879 OD1 ASP A 784 21.482 3.951 -10.726 1.00 51.78 O ATOM 1880 OD2 ASP A 784 21.583 2.020 -11.747 1.00 55.53 O ATOM 1881 H ASP A 784 21.147 0.843 -7.071 1.00 0.00 H ATOM 1882 N MET A 785 21.400 5.083 -7.959 1.00 40.17 N ATOM 1883 CA MET A 785 20.678 6.332 -7.597 1.00 47.81 C ATOM 1884 C MET A 785 19.725 6.760 -8.716 1.00 43.00 C ATOM 1885 O MET A 785 18.924 7.664 -8.474 1.00 43.97 O ATOM 1886 CB MET A 785 21.642 7.480 -7.270 1.00 49.72 C ATOM 1887 CG MET A 785 22.323 7.347 -5.905 1.00 53.38 C ATOM 1888 SD MET A 785 21.161 7.330 -4.480 1.00 54.96 S ATOM 1889 CE MET A 785 20.437 8.963 -4.649 1.00 55.87 C ATOM 1890 H MET A 785 22.409 5.143 -8.204 1.00 0.00 H ATOM 1891 N ALA A 786 19.785 6.132 -9.887 1.00 44.01 N ATOM 1892 CA ALA A 786 18.840 6.391 -11.001 1.00 43.21 C ATOM 1893 C ALA A 786 17.454 5.873 -10.616 1.00 45.18 C ATOM 1894 O ALA A 786 16.498 6.361 -11.175 1.00 49.87 O ATOM 1895 CB ALA A 786 19.339 5.749 -12.273 1.00 44.58 C ATOM 1896 H ALA A 786 20.533 5.423 -10.029 1.00 0.00 H ATOM 1897 N LYS A 787 17.377 4.932 -9.675 1.00 49.92 N ATOM 1898 CA LYS A 787 16.129 4.295 -9.180 1.00 55.72 C ATOM 1899 C LYS A 787 15.723 4.940 -7.845 1.00 56.51 C ATOM 1900 O LYS A 787 14.712 4.507 -7.236 1.00 53.26 O ATOM 1901 CB LYS A 787 16.367 2.794 -8.965 1.00 61.98 C ATOM 1902 CG LYS A 787 16.660 1.978 -10.224 1.00 68.83 C ATOM 1903 CD LYS A 787 16.929 0.502 -9.908 1.00 74.34 C ATOM 1904 CE LYS A 787 17.331 -0.359 -11.100 1.00 77.33 C ATOM 1905 NZ LYS A 787 18.279 -1.456 -10.727 1.00 67.20 N ATOM 1906 HZ1 LYS A 787 19.145 -1.043 -10.325 1.00 0.00 H ATOM 1907 HZ2 LYS A 787 17.830 -2.076 -10.023 1.00 0.00 H ATOM 1908 HZ3 LYS A 787 18.518 -2.009 -11.575 1.00 0.00 H ATOM 1909 H LYS A 787 18.271 4.615 -9.249 1.00 0.00 H ATOM 1910 N HIS A 788 16.512 5.904 -7.369 1.00 48.65 N ATOM 1911 CA HIS A 788 16.357 6.518 -6.025 1.00 49.04 C ATOM 1912 C HIS A 788 14.888 6.900 -5.761 1.00 47.98 C ATOM 1913 O HIS A 788 14.347 6.477 -4.728 1.00 44.21 O ATOM 1914 CB HIS A 788 17.275 7.739 -5.888 1.00 47.08 C ATOM 1915 CG HIS A 788 16.979 8.523 -4.659 1.00 47.08 C ATOM 1916 ND1 HIS A 788 17.440 8.132 -3.409 1.00 48.30 N ATOM 1917 CD2 HIS A 788 16.231 9.637 -4.480 1.00 44.41 C ATOM 1918 CE1 HIS A 788 17.022 9.006 -2.516 1.00 52.37 C ATOM 1919 NE2 HIS A 788 16.254 9.932 -3.151 1.00 46.87 N ATOM 1920 H HIS A 788 17.284 6.247 -7.976 1.00 0.00 H ATOM 1921 N GLY A 789 14.304 7.737 -6.631 1.00 45.63 N ATOM 1922 CA GLY A 789 12.946 8.280 -6.478 1.00 42.24 C ATOM 1923 C GLY A 789 11.932 7.150 -6.417 1.00 44.10 C ATOM 1924 O GLY A 789 11.077 7.168 -5.513 1.00 44.96 O ATOM 1925 H GLY A 789 14.848 8.021 -7.470 1.00 0.00 H ATOM 1926 N SER A 790 12.038 6.186 -7.326 1.00 38.59 N ATOM 1927 CA SER A 790 11.064 5.080 -7.467 1.00 44.82 C ATOM 1928 C SER A 790 11.188 4.128 -6.259 1.00 43.59 C ATOM 1929 O SER A 790 10.153 3.714 -5.751 1.00 46.92 O ATOM 1930 CB SER A 790 11.149 4.400 -8.853 1.00 47.21 C ATOM 1931 OG SER A 790 12.312 3.585 -9.006 1.00 51.66 O ATOM 1932 HG SER A 790 13.122 4.143 -8.895 1.00 0.00 H ATOM 1933 H SER A 790 12.851 6.210 -7.975 1.00 0.00 H ATOM 1934 N ALA A 791 12.386 3.831 -5.760 1.00 44.21 N ATOM 1935 CA ALA A 791 12.572 2.948 -4.583 1.00 41.88 C ATOM 1936 C ALA A 791 11.982 3.641 -3.339 1.00 45.09 C ATOM 1937 O ALA A 791 11.178 3.025 -2.569 1.00 43.81 O ATOM 1938 CB ALA A 791 14.023 2.627 -4.425 1.00 35.17 C ATOM 1939 H ALA A 791 13.229 4.236 -6.216 1.00 0.00 H ATOM 1940 N LEU A 792 12.271 4.926 -3.181 1.00 42.49 N ATOM 1941 CA LEU A 792 11.696 5.704 -2.069 1.00 44.63 C ATOM 1942 C LEU A 792 10.166 5.751 -2.154 1.00 46.86 C ATOM 1943 O LEU A 792 9.549 5.543 -1.102 1.00 42.67 O ATOM 1944 CB LEU A 792 12.295 7.097 -2.047 1.00 41.39 C ATOM 1945 CG LEU A 792 11.710 8.018 -0.985 1.00 40.26 C ATOM 1946 CD1 LEU A 792 11.856 7.389 0.366 1.00 43.47 C ATOM 1947 CD2 LEU A 792 12.385 9.367 -1.022 1.00 41.33 C ATOM 1948 H LEU A 792 12.914 5.392 -3.853 1.00 0.00 H ATOM 1949 N GLU A 793 9.568 6.039 -3.314 1.00 50.57 N ATOM 1950 CA GLU A 793 8.081 6.168 -3.422 1.00 51.50 C ATOM 1951 C GLU A 793 7.418 4.803 -3.156 1.00 45.38 C ATOM 1952 O GLU A 793 6.387 4.762 -2.525 1.00 46.99 O ATOM 1953 CB GLU A 793 7.675 6.759 -4.771 1.00 60.32 C ATOM 1954 CG GLU A 793 6.181 7.031 -4.911 1.00 75.23 C ATOM 1955 CD GLU A 793 5.544 7.751 -3.724 1.00 92.07 C ATOM 1956 OE1 GLU A 793 6.107 8.809 -3.313 1.00 97.06 O ATOM 1957 OE2 GLU A 793 4.502 7.243 -3.179 1.00 85.54 O ATOM 1958 H GLU A 793 10.151 6.177 -4.164 1.00 0.00 H ATOM 1959 N ALA A 794 8.022 3.702 -3.584 1.00 45.07 N ATOM 1960 CA ALA A 794 7.495 2.332 -3.405 1.00 40.53 C ATOM 1961 C ALA A 794 7.489 1.978 -1.920 1.00 43.29 C ATOM 1962 O ALA A 794 6.476 1.372 -1.431 1.00 41.56 O ATOM 1963 CB ALA A 794 8.314 1.339 -4.201 1.00 39.79 C ATOM 1964 H ALA A 794 8.930 3.810 -4.080 1.00 0.00 H ATOM 1965 N PHE A 795 8.603 2.248 -1.238 1.00 38.33 N ATOM 1966 CA PHE A 795 8.706 1.997 0.213 1.00 36.85 C ATOM 1967 C PHE A 795 7.660 2.836 0.971 1.00 36.25 C ATOM 1968 O PHE A 795 6.973 2.298 1.844 1.00 38.91 O ATOM 1969 CB PHE A 795 10.128 2.230 0.730 1.00 37.54 C ATOM 1970 CG PHE A 795 10.184 2.214 2.229 1.00 36.94 C ATOM 1971 CD1 PHE A 795 10.189 1.012 2.913 1.00 37.10 C ATOM 1972 CD2 PHE A 795 10.092 3.399 2.951 1.00 42.02 C ATOM 1973 CE1 PHE A 795 10.197 0.999 4.297 1.00 41.06 C ATOM 1974 CE2 PHE A 795 10.099 3.386 4.340 1.00 39.19 C ATOM 1975 CZ PHE A 795 10.155 2.182 5.003 1.00 39.11 C ATOM 1976 H PHE A 795 9.421 2.646 -1.742 1.00 0.00 H ATOM 1977 N LEU A 796 7.522 4.120 0.677 1.00 37.93 N ATOM 1978 CA LEU A 796 6.543 4.997 1.396 1.00 40.82 C ATOM 1979 C LEU A 796 5.108 4.530 1.118 1.00 37.85 C ATOM 1980 O LEU A 796 4.369 4.466 2.067 1.00 42.84 O ATOM 1981 CB LEU A 796 6.744 6.465 1.020 1.00 40.26 C ATOM 1982 CG LEU A 796 8.094 7.098 1.425 1.00 41.39 C ATOM 1983 CD1 LEU A 796 8.276 8.451 0.766 1.00 42.52 C ATOM 1984 CD2 LEU A 796 8.249 7.228 2.921 1.00 37.37 C ATOM 1985 H LEU A 796 8.111 4.532 -0.075 1.00 0.00 H ATOM 1986 N ALA A 797 4.767 4.145 -0.116 1.00 44.19 N ATOM 1987 CA ALA A 797 3.418 3.644 -0.499 1.00 43.20 C ATOM 1988 C ALA A 797 3.103 2.345 0.262 1.00 40.50 C ATOM 1989 O ALA A 797 1.964 2.175 0.741 1.00 36.52 O ATOM 1990 CB ALA A 797 3.339 3.448 -1.988 1.00 45.43 C ATOM 1991 H ALA A 797 5.493 4.199 -0.859 1.00 0.00 H ATOM 1992 N SER A 798 4.098 1.472 0.410 1.00 34.30 N ATOM 1993 CA SER A 798 3.976 0.211 1.160 1.00 36.41 C ATOM 1994 C SER A 798 3.783 0.481 2.662 1.00 38.15 C ATOM 1995 O SER A 798 2.939 -0.174 3.247 1.00 39.28 O ATOM 1996 CB SER A 798 5.166 -0.691 0.893 1.00 41.36 C ATOM 1997 OG SER A 798 5.021 -1.910 1.609 1.00 41.71 O ATOM 1998 HG SER A 798 4.193 -2.367 1.316 1.00 0.00 H ATOM 1999 H SER A 798 5.014 1.694 -0.030 1.00 0.00 H ATOM 2000 N ALA A 799 4.537 1.398 3.279 1.00 36.11 N ATOM 2001 CA ALA A 799 4.468 1.694 4.729 1.00 38.32 C ATOM 2002 C ALA A 799 3.110 2.300 5.079 1.00 37.91 C ATOM 2003 O ALA A 799 2.679 2.103 6.192 1.00 41.36 O ATOM 2004 CB ALA A 799 5.563 2.651 5.143 1.00 41.47 C ATOM 2005 H ALA A 799 5.215 1.938 2.704 1.00 0.00 H ATOM 2006 N ALA A 800 2.523 3.098 4.191 1.00 36.94 N ATOM 2007 CA ALA A 800 1.226 3.764 4.456 1.00 44.26 C ATOM 2008 C ALA A 800 0.060 2.773 4.280 1.00 43.31 C ATOM 2009 O ALA A 800 -1.082 3.161 4.608 1.00 54.45 O ATOM 2010 CB ALA A 800 1.064 4.945 3.537 1.00 39.49 C ATOM 2011 H ALA A 800 2.992 3.260 3.277 1.00 0.00 H ATOM 2012 N ASP A 801 0.315 1.577 3.735 1.00 42.21 N ATOM 2013 CA ASP A 801 -0.738 0.586 3.377 1.00 43.60 C ATOM 2014 C ASP A 801 -0.711 -0.579 4.371 1.00 42.75 C ATOM 2015 O ASP A 801 0.106 -1.507 4.184 1.00 41.98 O ATOM 2016 CB ASP A 801 -0.562 0.148 1.923 1.00 43.96 C ATOM 2017 CG ASP A 801 -1.488 -0.963 1.466 1.00 40.91 C ATOM 2018 OD1 ASP A 801 -2.550 -1.175 2.103 1.00 42.99 O ATOM 2019 OD2 ASP A 801 -1.119 -1.628 0.480 1.00 42.67 O ATOM 2020 H ASP A 801 1.307 1.325 3.551 1.00 0.00 H ATOM 2021 N GLN A 802 -1.601 -0.543 5.367 1.00 46.40 N ATOM 2022 CA GLN A 802 -1.824 -1.646 6.339 1.00 49.46 C ATOM 2023 C GLN A 802 -1.993 -2.992 5.624 1.00 49.77 C ATOM 2024 O GLN A 802 -1.803 -4.013 6.272 1.00 53.78 O ATOM 2025 CB GLN A 802 -3.074 -1.391 7.168 1.00 53.81 C ATOM 2026 CG GLN A 802 -2.801 -0.497 8.366 1.00 70.17 C ATOM 2027 CD GLN A 802 -4.063 0.146 8.898 1.00 83.58 C ATOM 2028 OE1 GLN A 802 -4.197 1.368 8.868 1.00 90.34 O ATOM 2029 NE2 GLN A 802 -5.008 -0.666 9.363 1.00 79.72 N ATOM 2030 HE22 GLN A 802 -4.853 -1.694 9.370 1.00 0.00 H ATOM 2031 HE21 GLN A 802 -5.902 -0.273 9.720 1.00 0.00 H ATOM 2032 H GLN A 802 -2.178 0.316 5.470 1.00 0.00 H ATOM 2033 N SER A 803 -2.370 -3.020 4.351 1.00 46.21 N ATOM 2034 CA SER A 803 -2.665 -4.287 3.634 1.00 50.05 C ATOM 2035 C SER A 803 -1.569 -4.616 2.609 1.00 44.98 C ATOM 2036 O SER A 803 -1.805 -5.425 1.701 1.00 42.95 O ATOM 2037 CB SER A 803 -4.039 -4.201 3.018 1.00 52.33 C ATOM 2038 OG SER A 803 -5.005 -4.135 4.052 1.00 52.15 O ATOM 2039 HG SER A 803 -4.837 -3.333 4.608 1.00 0.00 H ATOM 2040 H SER A 803 -2.462 -2.121 3.837 1.00 0.00 H ATOM 2041 N SER A 804 -0.415 -3.978 2.711 1.00 41.38 N ATOM 2042 CA SER A 804 0.730 -4.299 1.831 1.00 43.46 C ATOM 2043 C SER A 804 1.100 -5.751 2.058 1.00 35.97 C ATOM 2044 O SER A 804 1.100 -6.220 3.186 1.00 41.87 O ATOM 2045 CB SER A 804 1.936 -3.393 2.069 1.00 47.49 C ATOM 2046 OG SER A 804 2.968 -3.655 1.119 1.00 46.39 O ATOM 2047 HG SER A 804 3.736 -3.056 1.295 1.00 0.00 H ATOM 2048 H SER A 804 -0.310 -3.232 3.428 1.00 0.00 H ATOM 2049 N ASP A 805 1.463 -6.431 1.005 1.00 41.16 N ATOM 2050 CA ASP A 805 2.074 -7.766 1.129 1.00 41.65 C ATOM 2051 C ASP A 805 3.248 -7.666 2.112 1.00 39.11 C ATOM 2052 O ASP A 805 4.143 -6.827 1.909 1.00 40.81 O ATOM 2053 CB ASP A 805 2.479 -8.233 -0.259 1.00 46.55 C ATOM 2054 CG ASP A 805 3.056 -9.615 -0.202 1.00 48.45 C ATOM 2055 OD1 ASP A 805 4.275 -9.732 0.060 1.00 48.38 O ATOM 2056 OD2 ASP A 805 2.264 -10.539 -0.378 1.00 59.73 O ATOM 2057 H ASP A 805 1.318 -6.023 0.060 1.00 0.00 H ATOM 2058 N GLU A 806 3.255 -8.505 3.126 1.00 41.71 N ATOM 2059 CA GLU A 806 4.272 -8.531 4.210 1.00 50.61 C ATOM 2060 C GLU A 806 5.657 -8.810 3.603 1.00 43.69 C ATOM 2061 O GLU A 806 6.597 -8.092 3.930 1.00 41.45 O ATOM 2062 CB GLU A 806 3.851 -9.554 5.272 1.00 59.22 C ATOM 2063 CG GLU A 806 4.781 -9.648 6.478 1.00 76.11 C ATOM 2064 CD GLU A 806 4.621 -10.888 7.366 1.00 89.00 C ATOM 2065 OE1 GLU A 806 3.626 -11.638 7.190 1.00 82.34 O ATOM 2066 OE2 GLU A 806 5.500 -11.116 8.237 1.00 97.09 O ATOM 2067 H GLU A 806 2.488 -9.206 3.173 1.00 0.00 H ATOM 2068 N ALA A 807 5.788 -9.802 2.735 1.00 44.12 N ATOM 2069 CA ALA A 807 7.077 -10.174 2.097 1.00 45.13 C ATOM 2070 C ALA A 807 7.656 -8.954 1.352 1.00 45.71 C ATOM 2071 O ALA A 807 8.859 -8.655 1.511 1.00 37.56 O ATOM 2072 CB ALA A 807 6.868 -11.357 1.163 1.00 42.71 C ATOM 2073 H ALA A 807 4.941 -10.351 2.486 1.00 0.00 H ATOM 2074 N ALA A 808 6.817 -8.251 0.582 1.00 41.56 N ATOM 2075 CA ALA A 808 7.239 -7.116 -0.253 1.00 42.18 C ATOM 2076 C ALA A 808 7.654 -5.949 0.656 1.00 43.79 C ATOM 2077 O ALA A 808 8.617 -5.272 0.294 1.00 39.60 O ATOM 2078 CB ALA A 808 6.152 -6.747 -1.231 1.00 43.56 C ATOM 2079 H ALA A 808 5.813 -8.522 0.574 1.00 0.00 H ATOM 2080 N PHE A 809 6.997 -5.740 1.806 1.00 41.26 N ATOM 2081 CA PHE A 809 7.355 -4.660 2.760 1.00 42.09 C ATOM 2082 C PHE A 809 8.742 -4.932 3.378 1.00 41.60 C ATOM 2083 O PHE A 809 9.627 -4.011 3.461 1.00 34.22 O ATOM 2084 CB PHE A 809 6.288 -4.481 3.840 1.00 46.53 C ATOM 2085 CG PHE A 809 6.649 -3.416 4.850 1.00 50.40 C ATOM 2086 CD1 PHE A 809 6.705 -2.079 4.478 1.00 55.38 C ATOM 2087 CD2 PHE A 809 7.003 -3.757 6.147 1.00 49.43 C ATOM 2088 CE1 PHE A 809 7.080 -1.111 5.392 1.00 56.65 C ATOM 2089 CE2 PHE A 809 7.385 -2.789 7.058 1.00 52.89 C ATOM 2090 CZ PHE A 809 7.414 -1.467 6.682 1.00 53.78 C ATOM 2091 H PHE A 809 6.199 -6.364 2.041 1.00 0.00 H ATOM 2092 N HIS A 810 8.955 -6.161 3.828 1.00 37.13 N ATOM 2093 CA HIS A 810 10.298 -6.599 4.292 1.00 42.29 C ATOM 2094 C HIS A 810 11.316 -6.223 3.230 1.00 36.79 C ATOM 2095 O HIS A 810 12.254 -5.547 3.568 1.00 44.32 O ATOM 2096 CB HIS A 810 10.330 -8.092 4.642 1.00 42.83 C ATOM 2097 CG HIS A 810 9.726 -8.362 5.974 1.00 40.24 C ATOM 2098 ND1 HIS A 810 10.409 -9.015 6.970 1.00 46.26 N ATOM 2099 CD2 HIS A 810 8.543 -7.997 6.500 1.00 40.99 C ATOM 2100 CE1 HIS A 810 9.663 -9.082 8.050 1.00 47.16 C ATOM 2101 NE2 HIS A 810 8.500 -8.480 7.784 1.00 44.21 N ATOM 2102 H HIS A 810 8.163 -6.835 3.857 1.00 0.00 H ATOM 2103 N ARG A 811 11.099 -6.634 1.980 1.00 37.55 N ATOM 2104 CA ARG A 811 12.131 -6.504 0.917 1.00 38.01 C ATOM 2105 C ARG A 811 12.466 -5.028 0.722 1.00 35.92 C ATOM 2106 O ARG A 811 13.622 -4.695 0.670 1.00 32.57 O ATOM 2107 CB ARG A 811 11.656 -7.151 -0.381 1.00 38.58 C ATOM 2108 CG ARG A 811 12.740 -7.237 -1.436 1.00 47.16 C ATOM 2109 CD ARG A 811 14.074 -7.810 -0.953 1.00 53.56 C ATOM 2110 NE ARG A 811 13.920 -9.116 -0.320 1.00 63.71 N ATOM 2111 CZ ARG A 811 13.691 -10.269 -0.963 1.00 67.40 C ATOM 2112 NH1 ARG A 811 13.621 -10.320 -2.286 1.00 60.76 N ATOM 2113 NH2 ARG A 811 13.533 -11.381 -0.264 1.00 75.81 N ATOM 2114 HE ARG A 811 13.994 -9.155 0.717 1.00 0.00 H ATOM 2115 HH12 ARG A 811 13.442 -11.227 -2.763 1.00 0.00 H ATOM 2116 HH11 ARG A 811 13.745 -9.453 -2.847 1.00 0.00 H ATOM 2117 HH22 ARG A 811 13.355 -12.282 -0.753 1.00 0.00 H ATOM 2118 HH21 ARG A 811 13.587 -11.355 0.774 1.00 0.00 H ATOM 2119 H ARG A 811 10.180 -7.058 1.741 1.00 0.00 H ATOM 2120 N MET A 812 11.445 -4.177 0.684 1.00 32.65 N ATOM 2121 CA MET A 812 11.585 -2.745 0.437 1.00 33.07 C ATOM 2122 C MET A 812 12.215 -2.030 1.635 1.00 34.23 C ATOM 2123 O MET A 812 12.982 -1.034 1.399 1.00 31.84 O ATOM 2124 CB MET A 812 10.229 -2.153 0.073 1.00 36.62 C ATOM 2125 CG MET A 812 9.880 -2.488 -1.350 1.00 37.02 C ATOM 2126 SD MET A 812 8.410 -1.592 -1.849 1.00 47.78 S ATOM 2127 CE MET A 812 7.127 -2.699 -1.264 1.00 42.05 C ATOM 2128 H MET A 812 10.489 -4.555 0.840 1.00 0.00 H ATOM 2129 N THR A 813 11.995 -2.558 2.838 1.00 32.29 N ATOM 2130 CA THR A 813 12.671 -2.096 4.064 1.00 32.65 C ATOM 2131 C THR A 813 14.174 -2.401 3.957 1.00 34.97 C ATOM 2132 O THR A 813 14.955 -1.455 4.146 1.00 29.59 O ATOM 2133 CB THR A 813 11.992 -2.677 5.304 1.00 34.89 C ATOM 2134 OG1 THR A 813 10.638 -2.230 5.294 1.00 39.31 O ATOM 2135 CG2 THR A 813 12.631 -2.203 6.584 1.00 38.21 C ATOM 2136 HG1 THR A 813 10.192 -2.551 4.470 1.00 0.00 H ATOM 2137 H THR A 813 11.310 -3.337 2.916 1.00 0.00 H ATOM 2138 N MET A 814 14.565 -3.641 3.608 1.00 34.20 N ATOM 2139 CA MET A 814 15.999 -4.010 3.407 1.00 33.68 C ATOM 2140 C MET A 814 16.647 -3.066 2.393 1.00 34.84 C ATOM 2141 O MET A 814 17.703 -2.485 2.690 1.00 35.18 O ATOM 2142 CB MET A 814 16.153 -5.453 2.935 1.00 35.67 C ATOM 2143 CG MET A 814 15.708 -6.468 3.969 1.00 36.99 C ATOM 2144 SD MET A 814 15.859 -8.163 3.421 1.00 39.66 S ATOM 2145 CE MET A 814 17.648 -8.340 3.428 1.00 37.82 C ATOM 2146 H MET A 814 13.839 -4.373 3.473 1.00 0.00 H ATOM 2147 N GLU A 815 15.995 -2.858 1.254 1.00 39.84 N ATOM 2148 CA GLU A 815 16.503 -1.975 0.178 1.00 38.82 C ATOM 2149 C GLU A 815 16.651 -0.545 0.684 1.00 39.10 C ATOM 2150 O GLU A 815 17.642 0.070 0.371 1.00 29.61 O ATOM 2151 CB GLU A 815 15.539 -1.966 -1.001 1.00 40.23 C ATOM 2152 CG GLU A 815 15.295 -3.333 -1.571 1.00 46.54 C ATOM 2153 CD GLU A 815 14.413 -3.397 -2.796 1.00 51.62 C ATOM 2154 OE1 GLU A 815 13.644 -2.474 -3.029 1.00 48.89 O ATOM 2155 OE2 GLU A 815 14.501 -4.380 -3.497 1.00 54.30 O ATOM 2156 H GLU A 815 15.084 -3.338 1.111 1.00 0.00 H ATOM 2157 N ILE A 816 15.657 -0.049 1.417 1.00 39.15 N ATOM 2158 CA ILE A 816 15.707 1.342 1.937 1.00 38.14 C ATOM 2159 C ILE A 816 16.821 1.451 2.976 1.00 37.34 C ATOM 2160 O ILE A 816 17.456 2.466 3.009 1.00 38.72 O ATOM 2161 CB ILE A 816 14.350 1.783 2.502 1.00 46.74 C ATOM 2162 CG1 ILE A 816 13.575 2.667 1.529 1.00 47.05 C ATOM 2163 CG2 ILE A 816 14.530 2.462 3.839 1.00 50.01 C ATOM 2164 CD1 ILE A 816 14.418 3.347 0.511 1.00 44.67 C ATOM 2165 H ILE A 816 14.832 -0.645 1.629 1.00 0.00 H ATOM 2166 N ILE A 817 17.046 0.416 3.771 1.00 34.78 N ATOM 2167 CA ILE A 817 18.108 0.471 4.809 1.00 35.07 C ATOM 2168 C ILE A 817 19.483 0.456 4.142 1.00 33.95 C ATOM 2169 O ILE A 817 20.320 1.218 4.570 1.00 34.04 O ATOM 2170 CB ILE A 817 17.895 -0.608 5.879 1.00 34.38 C ATOM 2171 CG1 ILE A 817 16.602 -0.337 6.644 1.00 39.49 C ATOM 2172 CG2 ILE A 817 19.069 -0.680 6.821 1.00 36.71 C ATOM 2173 CD1 ILE A 817 16.606 0.953 7.415 1.00 37.64 C ATOM 2174 H ILE A 817 16.473 -0.446 3.668 1.00 0.00 H ATOM 2175 N LEU A 818 19.687 -0.359 3.111 1.00 35.45 N ATOM 2176 CA LEU A 818 21.006 -0.335 2.417 1.00 34.99 C ATOM 2177 C LEU A 818 21.162 1.010 1.740 1.00 36.87 C ATOM 2178 O LEU A 818 22.223 1.616 1.913 1.00 42.01 O ATOM 2179 CB LEU A 818 21.160 -1.478 1.416 1.00 38.96 C ATOM 2180 CG LEU A 818 22.522 -1.548 0.723 1.00 39.42 C ATOM 2181 CD1 LEU A 818 23.603 -1.965 1.687 1.00 45.91 C ATOM 2182 CD2 LEU A 818 22.499 -2.524 -0.418 1.00 42.02 C ATOM 2183 H LEU A 818 18.936 -1.005 2.793 1.00 0.00 H ATOM 2184 N LYS A 819 20.117 1.515 1.082 1.00 36.68 N ATOM 2185 CA LYS A 819 20.164 2.865 0.470 1.00 36.20 C ATOM 2186 C LYS A 819 20.490 3.916 1.542 1.00 39.63 C ATOM 2187 O LYS A 819 21.442 4.738 1.315 1.00 37.56 O ATOM 2188 CB LYS A 819 18.854 3.196 -0.230 1.00 39.51 C ATOM 2189 CG LYS A 819 18.719 2.745 -1.671 1.00 41.68 C ATOM 2190 CD LYS A 819 17.441 3.280 -2.337 1.00 43.80 C ATOM 2191 CE LYS A 819 17.431 4.777 -2.578 1.00 44.47 C ATOM 2192 NZ LYS A 819 18.755 5.315 -3.019 1.00 47.91 N ATOM 2193 HZ1 LYS A 819 19.468 5.120 -2.288 1.00 0.00 H ATOM 2194 HZ2 LYS A 819 19.035 4.856 -3.909 1.00 0.00 H ATOM 2195 HZ3 LYS A 819 18.679 6.342 -3.166 1.00 0.00 H ATOM 2196 H LYS A 819 19.249 0.949 0.996 1.00 0.00 H ATOM 2197 N ALA A 820 19.766 3.903 2.666 1.00 36.26 N ATOM 2198 CA ALA A 820 20.036 4.793 3.826 1.00 41.32 C ATOM 2199 C ALA A 820 21.528 4.751 4.187 1.00 43.36 C ATOM 2200 O ALA A 820 22.166 5.809 4.227 1.00 37.77 O ATOM 2201 CB ALA A 820 19.208 4.397 5.012 1.00 47.40 C ATOM 2202 H ALA A 820 18.972 3.235 2.732 1.00 0.00 H ATOM 2203 N GLY A 821 22.064 3.558 4.441 1.00 42.00 N ATOM 2204 CA GLY A 821 23.492 3.422 4.776 1.00 42.24 C ATOM 2205 C GLY A 821 24.357 4.097 3.732 1.00 41.40 C ATOM 2206 O GLY A 821 25.298 4.782 4.081 1.00 43.83 O ATOM 2207 H GLY A 821 21.465 2.709 4.402 1.00 0.00 H ATOM 2208 N ASP A 822 24.035 3.903 2.464 1.00 47.19 N ATOM 2209 CA ASP A 822 24.891 4.330 1.335 1.00 48.63 C ATOM 2210 C ASP A 822 24.898 5.864 1.216 1.00 47.25 C ATOM 2211 O ASP A 822 25.846 6.382 0.661 1.00 49.99 O ATOM 2212 CB ASP A 822 24.424 3.661 0.040 1.00 55.43 C ATOM 2213 CG ASP A 822 25.507 3.500 -1.013 1.00 49.41 C ATOM 2214 OD1 ASP A 822 26.662 3.373 -0.620 1.00 49.78 O ATOM 2215 OD2 ASP A 822 25.169 3.482 -2.215 1.00 52.85 O ATOM 2216 H ASP A 822 23.136 3.427 2.250 1.00 0.00 H ATOM 2217 N ILE A 823 23.875 6.576 1.687 1.00 45.82 N ATOM 2218 CA ILE A 823 23.899 8.069 1.717 1.00 42.72 C ATOM 2219 C ILE A 823 23.878 8.595 3.163 1.00 40.79 C ATOM 2220 O ILE A 823 23.384 9.709 3.373 1.00 44.47 O ATOM 2221 CB ILE A 823 22.757 8.633 0.858 1.00 46.05 C ATOM 2222 CG1 ILE A 823 21.375 8.344 1.434 1.00 40.06 C ATOM 2223 CG2 ILE A 823 22.882 8.104 -0.568 1.00 51.55 C ATOM 2224 CD1 ILE A 823 20.278 8.991 0.643 1.00 45.23 C ATOM 2225 H ILE A 823 23.035 6.077 2.044 1.00 0.00 H ATOM 2226 N SER A 824 24.476 7.870 4.106 1.00 40.48 N ATOM 2227 CA SER A 824 24.534 8.195 5.560 1.00 40.59 C ATOM 2228 C SER A 824 25.664 9.180 5.939 1.00 43.94 C ATOM 2229 O SER A 824 25.655 9.673 7.069 1.00 46.09 O ATOM 2230 CB SER A 824 24.681 6.952 6.347 1.00 35.74 C ATOM 2231 OG SER A 824 25.892 6.284 6.054 1.00 31.95 O ATOM 2232 HG SER A 824 25.953 5.460 6.599 1.00 0.00 H ATOM 2233 H SER A 824 24.947 6.995 3.800 1.00 0.00 H ATOM 2234 N ASN A 825 26.582 9.507 5.036 1.00 44.78 N ATOM 2235 CA ASN A 825 27.698 10.450 5.314 1.00 43.39 C ATOM 2236 C ASN A 825 27.208 11.728 6.011 1.00 42.92 C ATOM 2237 O ASN A 825 27.842 12.151 6.976 1.00 42.93 O ATOM 2238 CB ASN A 825 28.430 10.822 4.041 1.00 42.22 C ATOM 2239 CG ASN A 825 29.172 9.653 3.447 1.00 39.32 C ATOM 2240 OD1 ASN A 825 29.589 9.739 2.302 1.00 47.70 O ATOM 2241 ND2 ASN A 825 29.315 8.573 4.196 1.00 37.41 N ATOM 2242 HD22 ASN A 825 28.938 8.559 5.165 1.00 0.00 H ATOM 2243 HD21 ASN A 825 29.804 7.738 3.816 1.00 0.00 H ATOM 2244 H ASN A 825 26.517 9.083 4.089 1.00 0.00 H ATOM 2245 N VAL A 826 26.096 12.306 5.577 1.00 41.16 N ATOM 2246 CA VAL A 826 25.597 13.585 6.156 1.00 45.23 C ATOM 2247 C VAL A 826 24.814 13.379 7.465 1.00 45.81 C ATOM 2248 O VAL A 826 24.269 14.383 7.935 1.00 46.13 O ATOM 2249 CB VAL A 826 24.753 14.348 5.129 1.00 44.93 C ATOM 2250 CG1 VAL A 826 25.609 14.765 3.945 1.00 43.45 C ATOM 2251 CG2 VAL A 826 23.519 13.568 4.705 1.00 46.29 C ATOM 2252 H VAL A 826 25.557 11.854 4.811 1.00 0.00 H ATOM 2253 N THR A 827 24.712 12.153 8.001 1.00 42.30 N ATOM 2254 CA THR A 827 24.045 11.869 9.296 1.00 44.08 C ATOM 2255 C THR A 827 25.104 11.744 10.399 1.00 46.77 C ATOM 2256 O THR A 827 24.729 11.487 11.525 1.00 47.80 O ATOM 2257 CB THR A 827 23.193 10.587 9.263 1.00 38.16 C ATOM 2258 OG1 THR A 827 24.038 9.442 9.152 1.00 39.03 O ATOM 2259 CG2 THR A 827 22.167 10.575 8.164 1.00 35.43 C ATOM 2260 HG1 THR A 827 24.567 9.504 8.318 1.00 0.00 H ATOM 2261 H THR A 827 25.125 11.355 7.478 1.00 0.00 H ATOM 2262 N LYS A 828 26.384 11.828 10.058 1.00 52.82 N ATOM 2263 CA LYS A 828 27.500 11.606 11.008 1.00 52.39 C ATOM 2264 C LYS A 828 27.909 12.952 11.597 1.00 49.56 C ATOM 2265 O LYS A 828 27.607 13.997 11.014 1.00 50.93 O ATOM 2266 CB LYS A 828 28.679 10.921 10.304 1.00 47.94 C ATOM 2267 CG LYS A 828 28.395 9.561 9.673 1.00 47.57 C ATOM 2268 CD LYS A 828 27.547 8.606 10.502 1.00 51.30 C ATOM 2269 CE LYS A 828 27.137 7.363 9.738 1.00 52.74 C ATOM 2270 NZ LYS A 828 28.242 6.373 9.592 1.00 53.03 N ATOM 2271 HZ1 LYS A 828 29.033 6.812 9.079 1.00 0.00 H ATOM 2272 HZ2 LYS A 828 28.563 6.072 10.534 1.00 0.00 H ATOM 2273 HZ3 LYS A 828 27.898 5.547 9.061 1.00 0.00 H ATOM 2274 H LYS A 828 26.616 12.062 9.072 1.00 0.00 H ATOM 2275 N PRO A 829 28.592 12.947 12.766 1.00 51.37 N ATOM 2276 CA PRO A 829 29.291 14.126 13.297 1.00 54.73 C ATOM 2277 C PRO A 829 30.009 14.958 12.225 1.00 47.17 C ATOM 2278 O PRO A 829 30.762 14.395 11.492 1.00 48.77 O ATOM 2279 CB PRO A 829 30.326 13.475 14.221 1.00 50.48 C ATOM 2280 CG PRO A 829 29.577 12.301 14.812 1.00 54.35 C ATOM 2281 CD PRO A 829 28.732 11.786 13.660 1.00 55.00 C ATOM 2282 N PHE A 830 29.757 16.263 12.162 1.00 53.76 N ATOM 2283 CA PHE A 830 30.293 17.184 11.117 1.00 57.51 C ATOM 2284 C PHE A 830 31.705 16.876 10.597 1.00 53.30 C ATOM 2285 O PHE A 830 31.854 16.845 9.388 1.00 52.19 O ATOM 2286 CB PHE A 830 30.222 18.646 11.540 1.00 52.60 C ATOM 2287 CG PHE A 830 30.729 19.589 10.485 1.00 51.23 C ATOM 2288 CD1 PHE A 830 29.878 20.108 9.535 1.00 51.76 C ATOM 2289 CD2 PHE A 830 32.063 19.935 10.430 1.00 52.82 C ATOM 2290 CE1 PHE A 830 30.345 20.973 8.566 1.00 47.46 C ATOM 2291 CE2 PHE A 830 32.529 20.795 9.456 1.00 52.33 C ATOM 2292 CZ PHE A 830 31.666 21.315 8.531 1.00 50.26 C ATOM 2293 H PHE A 830 29.142 16.671 12.894 1.00 0.00 H ATOM 2294 N ASP A 831 32.684 16.623 11.461 1.00 53.74 N ATOM 2295 CA ASP A 831 34.057 16.393 10.939 1.00 55.86 C ATOM 2296 C ASP A 831 34.126 15.074 10.186 1.00 53.69 C ATOM 2297 O ASP A 831 34.903 14.992 9.259 1.00 59.76 O ATOM 2298 CB ASP A 831 35.147 16.486 12.002 1.00 53.62 C ATOM 2299 CG ASP A 831 36.543 16.461 11.407 1.00 60.62 C ATOM 2300 OD1 ASP A 831 36.921 17.434 10.766 1.00 51.54 O ATOM 2301 OD2 ASP A 831 37.232 15.469 11.592 1.00 61.49 O ATOM 2302 H ASP A 831 32.493 16.587 12.483 1.00 0.00 H ATOM 2303 N ILE A 832 33.362 14.078 10.615 1.00 56.62 N ATOM 2304 CA ILE A 832 33.356 12.768 9.910 1.00 49.59 C ATOM 2305 C ILE A 832 32.660 12.980 8.570 1.00 43.94 C ATOM 2306 O ILE A 832 33.192 12.570 7.561 1.00 47.94 O ATOM 2307 CB ILE A 832 32.666 11.701 10.771 1.00 56.54 C ATOM 2308 CG1 ILE A 832 33.649 11.078 11.760 1.00 60.59 C ATOM 2309 CG2 ILE A 832 32.014 10.647 9.904 1.00 51.38 C ATOM 2310 CD1 ILE A 832 32.999 10.422 12.938 1.00 61.24 C ATOM 2311 H ILE A 832 32.761 14.214 11.453 1.00 0.00 H ATOM 2312 N SER A 833 31.524 13.661 8.595 1.00 42.64 N ATOM 2313 CA SER A 833 30.757 13.973 7.372 1.00 41.50 C ATOM 2314 C SER A 833 31.623 14.792 6.418 1.00 45.51 C ATOM 2315 O SER A 833 31.600 14.518 5.235 1.00 46.41 O ATOM 2316 CB SER A 833 29.516 14.706 7.729 1.00 43.67 C ATOM 2317 OG SER A 833 28.931 15.286 6.590 1.00 53.08 O ATOM 2318 HG SER A 833 28.107 15.768 6.853 1.00 0.00 H ATOM 2319 H SER A 833 31.158 13.989 9.512 1.00 0.00 H ATOM 2320 N ARG A 834 32.345 15.776 6.947 1.00 52.95 N ATOM 2321 CA ARG A 834 33.219 16.642 6.125 1.00 49.70 C ATOM 2322 C ARG A 834 34.303 15.783 5.489 1.00 49.52 C ATOM 2323 O ARG A 834 34.583 15.964 4.326 1.00 51.98 O ATOM 2324 CB ARG A 834 33.845 17.729 6.995 1.00 58.22 C ATOM 2325 CG ARG A 834 34.552 18.828 6.219 1.00 63.16 C ATOM 2326 CD ARG A 834 35.387 19.684 7.145 1.00 61.91 C ATOM 2327 NE ARG A 834 36.734 19.828 6.648 1.00 64.58 N ATOM 2328 CZ ARG A 834 37.756 19.091 7.030 1.00 67.38 C ATOM 2329 NH1 ARG A 834 37.597 18.148 7.934 1.00 70.83 N ATOM 2330 NH2 ARG A 834 38.944 19.298 6.509 1.00 76.70 N ATOM 2331 HE ARG A 834 36.910 20.567 5.937 1.00 0.00 H ATOM 2332 HH12 ARG A 834 38.409 17.570 8.231 1.00 0.00 H ATOM 2333 HH11 ARG A 834 36.659 17.981 8.352 1.00 0.00 H ATOM 2334 HH22 ARG A 834 39.752 18.717 6.810 1.00 0.00 H ATOM 2335 HH21 ARG A 834 39.076 20.043 5.796 1.00 0.00 H ATOM 2336 H ARG A 834 32.294 15.942 7.972 1.00 0.00 H ATOM 2337 N GLN A 835 34.873 14.862 6.244 1.00 49.40 N ATOM 2338 CA GLN A 835 35.939 14.030 5.650 1.00 49.41 C ATOM 2339 C GLN A 835 35.360 13.220 4.493 1.00 58.81 C ATOM 2340 O GLN A 835 35.929 13.316 3.415 1.00 53.61 O ATOM 2341 CB GLN A 835 36.652 13.209 6.712 1.00 53.57 C ATOM 2342 CG GLN A 835 37.767 13.984 7.388 1.00 56.50 C ATOM 2343 CD GLN A 835 38.482 13.133 8.397 1.00 54.46 C ATOM 2344 OE1 GLN A 835 38.177 13.161 9.576 1.00 59.55 O ATOM 2345 NE2 GLN A 835 39.429 12.350 7.929 1.00 56.13 N ATOM 2346 HE22 GLN A 835 39.657 12.359 6.914 1.00 0.00 H ATOM 2347 HE21 GLN A 835 39.950 11.722 8.574 1.00 0.00 H ATOM 2348 H GLN A 835 34.579 14.726 7.232 1.00 0.00 H ATOM 2349 N TRP A 836 34.279 12.467 4.704 1.00 55.58 N ATOM 2350 CA TRP A 836 33.629 11.671 3.627 1.00 52.98 C ATOM 2351 C TRP A 836 33.431 12.522 2.369 1.00 52.16 C ATOM 2352 O TRP A 836 33.810 12.074 1.305 1.00 50.46 O ATOM 2353 CB TRP A 836 32.287 11.101 4.099 1.00 48.93 C ATOM 2354 CG TRP A 836 32.393 9.928 5.015 1.00 40.54 C ATOM 2355 CD1 TRP A 836 31.798 9.789 6.227 1.00 40.47 C ATOM 2356 CD2 TRP A 836 33.127 8.718 4.792 1.00 40.55 C ATOM 2357 NE1 TRP A 836 32.123 8.589 6.779 1.00 39.50 N ATOM 2358 CE2 TRP A 836 32.934 7.908 5.923 1.00 40.93 C ATOM 2359 CE3 TRP A 836 33.934 8.243 3.761 1.00 37.95 C ATOM 2360 CZ2 TRP A 836 33.517 6.652 6.048 1.00 39.45 C ATOM 2361 CZ3 TRP A 836 34.502 7.002 3.884 1.00 34.79 C ATOM 2362 CH2 TRP A 836 34.295 6.217 5.009 1.00 35.57 C ATOM 2363 HE1 TRP A 836 31.803 8.246 7.707 1.00 0.00 H ATOM 2364 H TRP A 836 33.873 12.435 5.661 1.00 0.00 H ATOM 2365 N ALA A 837 32.873 13.719 2.505 1.00 44.01 N ATOM 2366 CA ALA A 837 32.647 14.598 1.345 1.00 50.57 C ATOM 2367 C ALA A 837 33.955 14.909 0.612 1.00 58.53 C ATOM 2368 O ALA A 837 33.927 14.959 -0.604 1.00 63.95 O ATOM 2369 CB ALA A 837 31.948 15.847 1.783 1.00 47.79 C ATOM 2370 H ALA A 837 32.589 14.043 3.452 1.00 0.00 H ATOM 2371 N MET A 838 35.060 15.116 1.320 1.00 62.41 N ATOM 2372 CA MET A 838 36.330 15.448 0.633 1.00 67.16 C ATOM 2373 C MET A 838 36.775 14.280 -0.249 1.00 62.03 C ATOM 2374 O MET A 838 37.200 14.525 -1.370 1.00 60.08 O ATOM 2375 CB MET A 838 37.419 15.803 1.645 1.00 72.37 C ATOM 2376 CG MET A 838 37.334 17.245 2.090 1.00 81.97 C ATOM 2377 SD MET A 838 38.613 17.761 3.236 1.00 84.80 S ATOM 2378 CE MET A 838 39.247 16.177 3.765 1.00 76.92 C ATOM 2379 H MET A 838 35.033 15.045 2.357 1.00 0.00 H ATOM 2380 N ALA A 839 36.665 13.066 0.269 1.00 57.72 N ATOM 2381 CA ALA A 839 37.026 11.809 -0.425 1.00 61.83 C ATOM 2382 C ALA A 839 36.154 11.625 -1.677 1.00 65.05 C ATOM 2383 O ALA A 839 36.687 11.194 -2.723 1.00 58.21 O ATOM 2384 CB ALA A 839 36.862 10.649 0.518 1.00 60.55 C ATOM 2385 H ALA A 839 36.296 12.990 1.239 1.00 0.00 H ATOM 2386 N VAL A 840 34.863 11.956 -1.591 1.00 59.65 N ATOM 2387 CA VAL A 840 33.903 11.693 -2.697 1.00 62.42 C ATOM 2388 C VAL A 840 34.089 12.780 -3.760 1.00 58.48 C ATOM 2389 O VAL A 840 33.912 12.483 -4.954 1.00 59.70 O ATOM 2390 CB VAL A 840 32.446 11.550 -2.199 1.00 60.91 C ATOM 2391 CG1 VAL A 840 31.785 12.866 -1.842 1.00 61.38 C ATOM 2392 CG2 VAL A 840 31.587 10.820 -3.220 1.00 72.04 C ATOM 2393 H VAL A 840 34.517 12.412 -0.723 1.00 0.00 H ATOM 2394 N THR A 841 34.434 13.996 -3.342 1.00 63.43 N ATOM 2395 CA THR A 841 34.673 15.143 -4.253 1.00 63.35 C ATOM 2396 C THR A 841 35.927 14.843 -5.067 1.00 59.16 C ATOM 2397 O THR A 841 35.935 15.164 -6.232 1.00 52.81 O ATOM 2398 CB THR A 841 34.779 16.476 -3.506 1.00 61.28 C ATOM 2399 OG1 THR A 841 33.575 16.666 -2.776 1.00 64.57 O ATOM 2400 CG2 THR A 841 34.933 17.662 -4.430 1.00 67.87 C ATOM 2401 HG1 THR A 841 33.459 15.922 -2.134 1.00 0.00 H ATOM 2402 H THR A 841 34.542 14.151 -2.319 1.00 0.00 H ATOM 2403 N GLU A 842 36.935 14.228 -4.460 1.00 63.16 N ATOM 2404 CA GLU A 842 38.179 13.854 -5.169 1.00 64.98 C ATOM 2405 C GLU A 842 37.837 12.774 -6.199 1.00 63.10 C ATOM 2406 O GLU A 842 38.319 12.866 -7.334 1.00 68.09 O ATOM 2407 CB GLU A 842 39.255 13.396 -4.175 1.00 72.53 C ATOM 2408 CG GLU A 842 40.588 12.994 -4.816 1.00 79.81 C ATOM 2409 CD GLU A 842 41.206 13.919 -5.875 1.00 84.77 C ATOM 2410 OE1 GLU A 842 40.996 15.171 -5.813 1.00 71.17 O ATOM 2411 OE2 GLU A 842 41.912 13.382 -6.777 1.00 75.19 O ATOM 2412 H GLU A 842 36.847 14.001 -3.449 1.00 0.00 H ATOM 2413 N GLU A 843 37.032 11.782 -5.826 1.00 62.27 N ATOM 2414 CA GLU A 843 36.697 10.660 -6.740 1.00 55.50 C ATOM 2415 C GLU A 843 35.941 11.221 -7.942 1.00 51.75 C ATOM 2416 O GLU A 843 36.281 10.862 -9.071 1.00 49.67 O ATOM 2417 CB GLU A 843 35.872 9.592 -6.034 1.00 57.52 C ATOM 2418 CG GLU A 843 35.805 8.312 -6.821 1.00 57.42 C ATOM 2419 CD GLU A 843 35.162 7.146 -6.103 1.00 54.75 C ATOM 2420 OE1 GLU A 843 35.794 6.583 -5.161 1.00 59.41 O ATOM 2421 OE2 GLU A 843 34.042 6.789 -6.516 1.00 51.97 O ATOM 2422 H GLU A 843 36.626 11.793 -4.868 1.00 0.00 H ATOM 2423 N PHE A 844 34.972 12.103 -7.710 1.00 50.32 N ATOM 2424 CA PHE A 844 34.221 12.763 -8.801 1.00 52.71 C ATOM 2425 C PHE A 844 35.219 13.489 -9.692 1.00 62.63 C ATOM 2426 O PHE A 844 35.062 13.346 -10.927 1.00 66.49 O ATOM 2427 CB PHE A 844 33.158 13.734 -8.287 1.00 55.07 C ATOM 2428 CG PHE A 844 31.930 13.099 -7.685 1.00 60.08 C ATOM 2429 CD1 PHE A 844 31.631 11.756 -7.884 1.00 56.91 C ATOM 2430 CD2 PHE A 844 31.041 13.868 -6.954 1.00 67.54 C ATOM 2431 CE1 PHE A 844 30.484 11.191 -7.350 1.00 62.88 C ATOM 2432 CE2 PHE A 844 29.892 13.304 -6.418 1.00 76.58 C ATOM 2433 CZ PHE A 844 29.612 11.967 -6.621 1.00 67.92 C ATOM 2434 H PHE A 844 34.734 12.337 -6.725 1.00 0.00 H ATOM 2435 N TYR A 845 36.184 14.216 -9.095 1.00 53.33 N ATOM 2436 CA TYR A 845 37.120 15.088 -9.848 1.00 59.85 C ATOM 2437 C TYR A 845 37.955 14.210 -10.793 1.00 62.83 C ATOM 2438 O TYR A 845 38.030 14.600 -11.974 1.00 55.55 O ATOM 2439 CB TYR A 845 37.942 16.000 -8.924 1.00 57.73 C ATOM 2440 CG TYR A 845 37.225 17.225 -8.400 1.00 59.90 C ATOM 2441 CD1 TYR A 845 36.018 17.644 -8.947 1.00 57.56 C ATOM 2442 CD2 TYR A 845 37.761 17.986 -7.363 1.00 63.88 C ATOM 2443 CE1 TYR A 845 35.351 18.760 -8.469 1.00 63.20 C ATOM 2444 CE2 TYR A 845 37.106 19.113 -6.881 1.00 65.56 C ATOM 2445 CZ TYR A 845 35.893 19.499 -7.433 1.00 67.77 C ATOM 2446 OH TYR A 845 35.204 20.597 -6.998 1.00 80.23 O ATOM 2447 HH TYR A 845 34.370 20.691 -7.523 1.00 0.00 H ATOM 2448 H TYR A 845 36.277 14.164 -8.060 1.00 0.00 H ATOM 2449 N ARG A 846 38.493 13.074 -10.308 1.00 59.20 N ATOM 2450 CA ARG A 846 39.345 12.142 -11.097 1.00 62.26 C ATOM 2451 C ARG A 846 38.564 11.663 -12.326 1.00 73.96 C ATOM 2452 O ARG A 846 39.146 11.722 -13.431 1.00 83.78 O ATOM 2453 CB ARG A 846 39.830 10.957 -10.255 1.00 60.36 C ATOM 2454 CG ARG A 846 40.923 11.339 -9.274 1.00 62.01 C ATOM 2455 CD ARG A 846 41.491 10.191 -8.464 1.00 68.63 C ATOM 2456 NE ARG A 846 42.330 10.716 -7.385 1.00 71.00 N ATOM 2457 CZ ARG A 846 43.035 9.981 -6.525 1.00 77.83 C ATOM 2458 NH1 ARG A 846 43.012 8.658 -6.595 1.00 76.20 N ATOM 2459 NH2 ARG A 846 43.764 10.580 -5.594 1.00 77.24 N ATOM 2460 HE ARG A 846 42.380 11.750 -7.281 1.00 0.00 H ATOM 2461 HH12 ARG A 846 43.565 8.092 -5.920 1.00 0.00 H ATOM 2462 HH11 ARG A 846 42.441 8.186 -7.325 1.00 0.00 H ATOM 2463 HH22 ARG A 846 44.316 10.012 -4.920 1.00 0.00 H ATOM 2464 HH21 ARG A 846 43.784 11.618 -5.537 1.00 0.00 H ATOM 2465 H ARG A 846 38.300 12.832 -9.315 1.00 0.00 H ATOM 2466 N GLN A 847 37.307 11.217 -12.151 1.00 72.09 N ATOM 2467 CA GLN A 847 36.433 10.774 -13.275 1.00 65.41 C ATOM 2468 C GLN A 847 36.439 11.886 -14.331 1.00 63.97 C ATOM 2469 O GLN A 847 36.791 11.584 -15.470 1.00 64.02 O ATOM 2470 CB GLN A 847 35.003 10.411 -12.847 1.00 54.39 C ATOM 2471 CG GLN A 847 34.006 10.422 -14.006 1.00 50.70 C ATOM 2472 CD GLN A 847 32.698 9.725 -13.717 1.00 50.75 C ATOM 2473 OE1 GLN A 847 32.597 8.889 -12.823 1.00 45.80 O ATOM 2474 NE2 GLN A 847 31.681 10.050 -14.503 1.00 47.05 N ATOM 2475 HE22 GLN A 847 31.808 10.763 -15.249 1.00 0.00 H ATOM 2476 HE21 GLN A 847 30.757 9.592 -14.374 1.00 0.00 H ATOM 2477 H GLN A 847 36.926 11.179 -11.184 1.00 0.00 H ATOM 2478 N GLY A 848 36.109 13.118 -13.941 1.00 66.05 N ATOM 2479 CA GLY A 848 36.037 14.299 -14.828 1.00 69.20 C ATOM 2480 C GLY A 848 37.383 14.671 -15.452 1.00 66.55 C ATOM 2481 O GLY A 848 37.359 15.376 -16.449 1.00 60.59 O ATOM 2482 H GLY A 848 35.885 13.259 -12.935 1.00 0.00 H ATOM 2483 N ASP A 849 38.511 14.236 -14.876 1.00 66.89 N ATOM 2484 CA ASP A 849 39.871 14.384 -15.465 1.00 76.16 C ATOM 2485 C ASP A 849 40.002 13.409 -16.653 1.00 78.55 C ATOM 2486 O ASP A 849 40.532 13.807 -17.722 1.00 73.04 O ATOM 2487 CB ASP A 849 40.974 14.138 -14.418 1.00 83.80 C ATOM 2488 CG ASP A 849 41.169 15.201 -13.330 1.00 81.13 C ATOM 2489 OD1 ASP A 849 40.484 16.266 -13.369 1.00 68.97 O ATOM 2490 OD2 ASP A 849 42.015 14.949 -12.424 1.00 73.27 O ATOM 2491 H ASP A 849 38.432 13.762 -13.954 1.00 0.00 H ATOM 2492 N MET A 850 39.553 12.167 -16.461 1.00 78.09 N ATOM 2493 CA MET A 850 39.536 11.096 -17.490 1.00 77.52 C ATOM 2494 C MET A 850 38.510 11.418 -18.583 1.00 74.80 C ATOM 2495 O MET A 850 38.836 11.198 -19.748 1.00 79.77 O ATOM 2496 CB MET A 850 39.210 9.737 -16.868 1.00 79.63 C ATOM 2497 CG MET A 850 40.392 9.136 -16.155 1.00 90.29 C ATOM 2498 SD MET A 850 40.065 7.444 -15.604 1.00102.91 S ATOM 2499 CE MET A 850 40.088 6.566 -17.164 1.00101.53 C ATOM 2500 H MET A 850 39.186 11.931 -15.517 1.00 0.00 H ATOM 2501 N GLU A 851 37.327 11.927 -18.233 1.00 74.19 N ATOM 2502 CA GLU A 851 36.246 12.265 -19.201 1.00 78.85 C ATOM 2503 C GLU A 851 36.719 13.359 -20.166 1.00 83.84 C ATOM 2504 O GLU A 851 36.131 13.460 -21.263 1.00 79.65 O ATOM 2505 CB GLU A 851 34.996 12.764 -18.479 1.00 79.35 C ATOM 2506 CG GLU A 851 34.290 11.692 -17.673 1.00 82.65 C ATOM 2507 CD GLU A 851 32.987 12.156 -17.043 1.00 83.74 C ATOM 2508 OE1 GLU A 851 32.986 13.215 -16.383 1.00 87.55 O ATOM 2509 OE2 GLU A 851 31.973 11.467 -17.230 1.00 78.23 O ATOM 2510 H GLU A 851 37.149 12.098 -17.223 1.00 0.00 H ATOM 2511 N LYS A 852 37.700 14.168 -19.743 1.00 88.96 N ATOM 2512 CA LYS A 852 38.286 15.296 -20.519 1.00 90.25 C ATOM 2513 C LYS A 852 39.298 14.739 -21.527 1.00 84.55 C ATOM 2514 O LYS A 852 39.117 15.012 -22.742 1.00 88.43 O ATOM 2515 CB LYS A 852 38.908 16.337 -19.578 1.00 92.31 C ATOM 2516 CG LYS A 852 37.902 17.323 -18.992 1.00101.86 C ATOM 2517 CD LYS A 852 38.472 18.315 -17.995 1.00102.18 C ATOM 2518 CE LYS A 852 37.466 19.374 -17.583 1.00105.41 C ATOM 2519 NZ LYS A 852 38.012 20.275 -16.542 1.00 98.50 N ATOM 2520 HZ1 LYS A 852 38.264 19.718 -15.701 1.00 0.00 H ATOM 2521 HZ2 LYS A 852 38.859 20.754 -16.909 1.00 0.00 H ATOM 2522 HZ3 LYS A 852 37.295 20.984 -16.288 1.00 0.00 H ATOM 2523 H LYS A 852 38.085 13.993 -18.793 1.00 0.00 H ATOM 2524 N GLU A 853 40.287 13.994 -21.042 1.00 77.90 N ATOM 2525 CA GLU A 853 41.294 13.395 -21.942 1.00 82.98 C ATOM 2526 C GLU A 853 40.591 12.390 -22.848 1.00 90.20 C ATOM 2527 O GLU A 853 41.121 12.087 -23.910 1.00106.52 O ATOM 2528 CB GLU A 853 42.386 12.711 -21.129 1.00 88.18 C ATOM 2529 CG GLU A 853 43.328 11.896 -21.988 1.00 97.78 C ATOM 2530 CD GLU A 853 44.383 12.686 -22.736 1.00 93.04 C ATOM 2531 OE1 GLU A 853 44.607 13.845 -22.384 1.00 80.29 O ATOM 2532 OE2 GLU A 853 44.979 12.131 -23.664 1.00 94.88 O ATOM 2533 H GLU A 853 40.352 13.831 -20.017 1.00 0.00 H ATOM 2534 N ARG A 854 39.426 11.907 -22.425 1.00 96.10 N ATOM 2535 CA ARG A 854 38.642 10.920 -23.206 1.00 88.87 C ATOM 2536 C ARG A 854 37.727 11.670 -24.173 1.00 86.44 C ATOM 2537 O ARG A 854 37.166 11.031 -25.057 1.00 85.09 O ATOM 2538 CB ARG A 854 37.822 10.063 -22.244 1.00 93.89 C ATOM 2539 CG ARG A 854 36.994 8.985 -22.917 1.00 98.15 C ATOM 2540 CD ARG A 854 37.327 7.618 -22.361 1.00 95.32 C ATOM 2541 NE ARG A 854 38.485 7.626 -21.493 1.00 93.41 N ATOM 2542 CZ ARG A 854 39.022 6.533 -20.989 1.00 99.95 C ATOM 2543 NH1 ARG A 854 40.083 6.608 -20.206 1.00 96.19 N ATOM 2544 NH2 ARG A 854 38.486 5.365 -21.274 1.00105.71 N ATOM 2545 HE ARG A 854 38.916 8.542 -21.255 1.00 0.00 H ATOM 2546 HH12 ARG A 854 40.501 5.741 -19.812 1.00 0.00 H ATOM 2547 HH11 ARG A 854 40.500 7.534 -19.983 1.00 0.00 H ATOM 2548 HH22 ARG A 854 38.899 4.494 -20.883 1.00 0.00 H ATOM 2549 HH21 ARG A 854 37.649 5.313 -21.890 1.00 0.00 H ATOM 2550 H ARG A 854 39.051 12.234 -21.512 1.00 0.00 H ATOM 2551 N GLY A 855 37.568 12.975 -23.966 1.00 78.33 N ATOM 2552 CA GLY A 855 36.751 13.824 -24.848 1.00 77.99 C ATOM 2553 C GLY A 855 35.254 13.597 -24.750 1.00 76.72 C ATOM 2554 O GLY A 855 34.604 13.665 -25.783 1.00 77.73 O ATOM 2555 H GLY A 855 38.040 13.412 -23.149 1.00 0.00 H ATOM 2556 N VAL A 856 34.714 13.366 -23.555 1.00 78.23 N ATOM 2557 CA VAL A 856 33.229 13.203 -23.394 1.00 79.49 C ATOM 2558 C VAL A 856 32.660 14.326 -22.487 1.00 75.20 C ATOM 2559 O VAL A 856 33.450 15.078 -21.885 1.00 64.18 O ATOM 2560 CB VAL A 856 32.855 11.773 -22.929 1.00 75.57 C ATOM 2561 CG1 VAL A 856 33.265 10.722 -23.958 1.00 71.49 C ATOM 2562 CG2 VAL A 856 33.429 11.414 -21.564 1.00 77.07 C ATOM 2563 H VAL A 856 35.330 13.297 -22.720 1.00 0.00 H ATOM 2564 N GLU A 857 31.329 14.468 -22.437 1.00 68.43 N ATOM 2565 CA GLU A 857 30.606 15.483 -21.624 1.00 77.71 C ATOM 2566 C GLU A 857 31.044 15.376 -20.148 1.00 79.62 C ATOM 2567 O GLU A 857 30.916 14.269 -19.573 1.00 74.08 O ATOM 2568 CB GLU A 857 29.089 15.283 -21.778 1.00 83.07 C ATOM 2569 CG GLU A 857 28.248 16.434 -21.233 1.00 90.79 C ATOM 2570 CD GLU A 857 26.759 16.163 -21.050 1.00 96.92 C ATOM 2571 OE1 GLU A 857 26.401 15.135 -20.438 1.00100.40 O ATOM 2572 OE2 GLU A 857 25.952 16.998 -21.495 1.00 95.27 O ATOM 2573 H GLU A 857 30.756 13.818 -23.012 1.00 0.00 H ATOM 2574 N VAL A 858 31.555 16.471 -19.559 1.00 82.28 N ATOM 2575 CA VAL A 858 31.903 16.594 -18.103 1.00 79.37 C ATOM 2576 C VAL A 858 30.835 17.460 -17.405 1.00 85.54 C ATOM 2577 O VAL A 858 30.706 18.650 -17.771 1.00 86.33 O ATOM 2578 CB VAL A 858 33.315 17.181 -17.895 1.00 78.18 C ATOM 2579 CG1 VAL A 858 33.761 17.126 -16.439 1.00 78.65 C ATOM 2580 CG2 VAL A 858 34.353 16.507 -18.773 1.00 79.50 C ATOM 2581 H VAL A 858 31.723 17.302 -20.161 1.00 0.00 H ATOM 2582 N LEU A 859 30.093 16.899 -16.437 1.00 82.58 N ATOM 2583 CA LEU A 859 29.094 17.653 -15.620 1.00 79.13 C ATOM 2584 C LEU A 859 29.823 18.586 -14.639 1.00 72.25 C ATOM 2585 O LEU A 859 30.996 18.386 -14.303 1.00 61.55 O ATOM 2586 CB LEU A 859 28.156 16.667 -14.904 1.00 84.66 C ATOM 2587 CG LEU A 859 27.231 15.816 -15.790 1.00 90.09 C ATOM 2588 CD1 LEU A 859 26.468 14.787 -14.950 1.00 86.43 C ATOM 2589 CD2 LEU A 859 26.251 16.673 -16.592 1.00 88.52 C ATOM 2590 H LEU A 859 30.220 15.885 -16.245 1.00 0.00 H ATOM 2591 N PRO A 860 29.154 19.652 -14.174 1.00 77.85 N ATOM 2592 CA PRO A 860 29.762 20.605 -13.256 1.00 80.72 C ATOM 2593 C PRO A 860 30.458 19.979 -12.045 1.00 78.12 C ATOM 2594 O PRO A 860 31.593 20.304 -11.808 1.00 77.47 O ATOM 2595 CB PRO A 860 28.540 21.397 -12.802 1.00 80.15 C ATOM 2596 CG PRO A 860 27.692 21.430 -14.035 1.00 74.58 C ATOM 2597 CD PRO A 860 27.798 20.017 -14.552 1.00 72.97 C ATOM 2598 N MET A 861 29.812 19.019 -11.384 1.00 74.12 N ATOM 2599 CA MET A 861 30.390 18.423 -10.151 1.00 70.36 C ATOM 2600 C MET A 861 31.616 17.530 -10.384 1.00 73.82 C ATOM 2601 O MET A 861 32.243 17.199 -9.388 1.00 76.67 O ATOM 2602 CB MET A 861 29.348 17.712 -9.282 1.00 80.29 C ATOM 2603 CG MET A 861 28.537 16.644 -9.963 1.00 84.92 C ATOM 2604 SD MET A 861 27.402 15.870 -8.785 1.00 95.57 S ATOM 2605 CE MET A 861 27.946 14.168 -8.826 1.00 86.68 C ATOM 2606 H MET A 861 28.893 18.683 -11.735 1.00 0.00 H ATOM 2607 N PHE A 862 31.956 17.158 -11.620 1.00 74.43 N ATOM 2608 CA PHE A 862 33.157 16.315 -11.843 1.00 71.86 C ATOM 2609 C PHE A 862 34.302 17.182 -12.369 1.00 76.02 C ATOM 2610 O PHE A 862 35.402 16.658 -12.570 1.00 69.71 O ATOM 2611 CB PHE A 862 32.843 15.196 -12.835 1.00 67.16 C ATOM 2612 CG PHE A 862 31.803 14.215 -12.367 1.00 62.28 C ATOM 2613 CD1 PHE A 862 30.458 14.501 -12.476 1.00 66.21 C ATOM 2614 CD2 PHE A 862 32.170 13.009 -11.811 1.00 62.77 C ATOM 2615 CE1 PHE A 862 29.506 13.601 -12.036 1.00 63.82 C ATOM 2616 CE2 PHE A 862 31.217 12.111 -11.374 1.00 58.07 C ATOM 2617 CZ PHE A 862 29.888 12.410 -11.485 1.00 58.99 C ATOM 2618 H PHE A 862 31.377 17.460 -12.430 1.00 0.00 H ATOM 2619 N ASP A 863 34.051 18.484 -12.499 1.00 79.97 N ATOM 2620 CA ASP A 863 35.011 19.457 -13.092 1.00 85.08 C ATOM 2621 C ASP A 863 35.802 20.228 -12.010 1.00 80.00 C ATOM 2622 O ASP A 863 35.197 21.115 -11.375 1.00 77.75 O ATOM 2623 CB ASP A 863 34.235 20.418 -13.993 1.00 91.37 C ATOM 2624 CG ASP A 863 35.123 21.246 -14.900 1.00 86.62 C ATOM 2625 OD1 ASP A 863 36.354 21.188 -14.723 1.00 80.31 O ATOM 2626 OD2 ASP A 863 34.570 21.929 -15.777 1.00 83.97 O ATOM 2627 H ASP A 863 33.132 18.842 -12.168 1.00 0.00 H ATOM 2628 N ARG A 864 37.109 19.944 -11.846 1.00 72.53 N ATOM 2629 CA ARG A 864 38.039 20.605 -10.874 1.00 78.02 C ATOM 2630 C ARG A 864 38.071 22.127 -11.060 1.00 85.60 C ATOM 2631 O ARG A 864 37.993 22.852 -10.051 1.00104.25 O ATOM 2632 CB ARG A 864 39.499 20.180 -11.063 1.00 72.55 C ATOM 2633 CG ARG A 864 39.762 18.708 -10.830 1.00 70.52 C ATOM 2634 CD ARG A 864 41.241 18.447 -10.901 1.00 77.60 C ATOM 2635 NE ARG A 864 41.552 17.090 -10.476 1.00 82.28 N ATOM 2636 CZ ARG A 864 41.566 16.674 -9.214 1.00 74.60 C ATOM 2637 NH1 ARG A 864 41.264 17.508 -8.233 1.00 76.88 N ATOM 2638 NH2 ARG A 864 41.864 15.417 -8.937 1.00 73.06 N ATOM 2639 HE ARG A 864 41.780 16.394 -11.215 1.00 0.00 H ATOM 2640 HH12 ARG A 864 41.276 17.177 -7.247 1.00 0.00 H ATOM 2641 HH11 ARG A 864 41.014 18.494 -8.448 1.00 0.00 H ATOM 2642 HH22 ARG A 864 41.875 15.091 -7.950 1.00 0.00 H ATOM 2643 HH21 ARG A 864 42.087 14.754 -9.706 1.00 0.00 H ATOM 2644 H ARG A 864 37.509 19.197 -12.449 1.00 0.00 H ATOM 2645 N SER A 865 38.260 22.583 -12.297 1.00 92.06 N ATOM 2646 CA SER A 865 38.499 24.005 -12.656 1.00102.31 C ATOM 2647 C SER A 865 37.260 24.861 -12.351 1.00102.04 C ATOM 2648 O SER A 865 37.410 26.099 -12.309 1.00111.69 O ATOM 2649 CB SER A 865 38.926 24.130 -14.099 1.00103.66 C ATOM 2650 OG SER A 865 37.849 23.835 -14.976 1.00 96.46 O ATOM 2651 HG SER A 865 37.538 22.909 -14.815 1.00 0.00 H ATOM 2652 H SER A 865 38.239 21.890 -13.072 1.00 0.00 H ATOM 2653 N LYS A 866 36.092 24.237 -12.140 1.00 94.93 N ATOM 2654 CA LYS A 866 34.866 24.904 -11.610 1.00 96.95 C ATOM 2655 C LYS A 866 35.040 25.231 -10.106 1.00104.32 C ATOM 2656 O LYS A 866 34.282 26.123 -9.612 1.00 75.01 O ATOM 2657 CB LYS A 866 33.637 24.023 -11.874 1.00 99.90 C ATOM 2658 CG LYS A 866 32.762 24.441 -13.048 1.00106.43 C ATOM 2659 CD LYS A 866 31.784 25.546 -12.688 1.00114.26 C ATOM 2660 CE LYS A 866 30.883 25.957 -13.833 1.00118.77 C ATOM 2661 NZ LYS A 866 29.862 24.922 -14.124 1.00121.84 N ATOM 2662 HZ1 LYS A 866 30.335 24.033 -14.381 1.00 0.00 H ATOM 2663 HZ2 LYS A 866 29.273 24.771 -13.280 1.00 0.00 H ATOM 2664 HZ3 LYS A 866 29.264 25.239 -14.914 1.00 0.00 H ATOM 2665 H LYS A 866 36.037 23.222 -12.360 1.00 0.00 H ATOM 2666 N ASN A 867 35.999 24.550 -9.462 1.00104.96 N ATOM 2667 CA ASN A 867 36.325 24.670 -8.015 1.00106.54 C ATOM 2668 C ASN A 867 35.087 25.117 -7.237 1.00100.86 C ATOM 2669 O ASN A 867 35.123 26.207 -6.673 1.00 95.41 O ATOM 2670 CB ASN A 867 37.533 25.576 -7.769 1.00112.99 C ATOM 2671 CG ASN A 867 38.575 24.963 -6.854 1.00117.46 C ATOM 2672 OD1 ASN A 867 38.254 24.473 -5.774 1.00122.13 O ATOM 2673 ND2 ASN A 867 39.831 25.004 -7.262 1.00 88.87 N ATOM 2674 HD22 ASN A 867 40.065 25.427 -8.183 1.00 0.00 H ATOM 2675 HD21 ASN A 867 40.586 24.613 -6.662 1.00 0.00 H ATOM 2676 H ASN A 867 36.564 23.880 -10.022 1.00 0.00 H ATOM 2677 N MET A 868 34.043 24.287 -7.210 1.00102.74 N ATOM 2678 CA MET A 868 32.788 24.622 -6.487 1.00100.70 C ATOM 2679 C MET A 868 33.012 24.407 -4.991 1.00 86.16 C ATOM 2680 O MET A 868 33.752 23.494 -4.635 1.00 80.46 O ATOM 2681 CB MET A 868 31.621 23.757 -6.970 1.00108.03 C ATOM 2682 CG MET A 868 30.695 24.472 -7.937 1.00119.44 C ATOM 2683 SD MET A 868 30.339 23.512 -9.428 1.00128.98 S ATOM 2684 CE MET A 868 29.291 24.649 -10.331 1.00121.31 C ATOM 2685 H MET A 868 34.109 23.378 -7.710 1.00 0.00 H ATOM 2686 N GLU A 869 32.380 25.230 -4.161 1.00 77.12 N ATOM 2687 CA GLU A 869 32.561 25.152 -2.690 1.00 81.94 C ATOM 2688 C GLU A 869 31.860 23.933 -2.079 1.00 68.09 C ATOM 2689 O GLU A 869 30.664 23.785 -2.269 1.00 57.08 O ATOM 2690 CB GLU A 869 31.953 26.382 -2.015 1.00 84.41 C ATOM 2691 CG GLU A 869 32.750 27.655 -2.188 1.00 87.04 C ATOM 2692 CD GLU A 869 31.938 28.920 -1.984 1.00 95.51 C ATOM 2693 OE1 GLU A 869 31.467 29.138 -0.857 1.00 91.81 O ATOM 2694 OE2 GLU A 869 31.775 29.681 -2.953 1.00 94.15 O ATOM 2695 H GLU A 869 31.740 25.950 -4.554 1.00 0.00 H ATOM 2696 N LEU A 870 32.613 23.168 -1.296 1.00 56.57 N ATOM 2697 CA LEU A 870 32.126 21.980 -0.559 1.00 64.53 C ATOM 2698 C LEU A 870 30.859 22.360 0.210 1.00 65.58 C ATOM 2699 O LEU A 870 29.884 21.627 0.125 1.00 60.31 O ATOM 2700 CB LEU A 870 33.240 21.588 0.409 1.00 63.60 C ATOM 2701 CG LEU A 870 33.170 20.189 1.003 1.00 67.88 C ATOM 2702 CD1 LEU A 870 33.307 19.142 -0.079 1.00 68.77 C ATOM 2703 CD2 LEU A 870 34.257 20.008 2.038 1.00 67.67 C ATOM 2704 H LEU A 870 33.616 23.422 -1.194 1.00 0.00 H ATOM 2705 N ALA A 871 30.916 23.476 0.931 1.00 59.37 N ATOM 2706 CA ALA A 871 29.804 24.011 1.746 1.00 60.81 C ATOM 2707 C ALA A 871 28.506 23.958 0.949 1.00 53.25 C ATOM 2708 O ALA A 871 27.501 23.460 1.485 1.00 54.50 O ATOM 2709 CB ALA A 871 30.121 25.419 2.198 1.00 61.38 C ATOM 2710 H ALA A 871 31.807 24.011 0.921 1.00 0.00 H ATOM 2711 N LYS A 872 28.535 24.507 -0.261 1.00 52.35 N ATOM 2712 CA LYS A 872 27.374 24.598 -1.191 1.00 57.14 C ATOM 2713 C LYS A 872 27.012 23.193 -1.710 1.00 53.59 C ATOM 2714 O LYS A 872 25.823 22.928 -1.860 1.00 46.85 O ATOM 2715 CB LYS A 872 27.708 25.546 -2.351 1.00 61.25 C ATOM 2716 CG LYS A 872 27.129 26.946 -2.224 1.00 67.20 C ATOM 2717 CD LYS A 872 27.981 28.049 -2.817 1.00 68.81 C ATOM 2718 CE LYS A 872 27.396 29.413 -2.519 1.00 78.22 C ATOM 2719 NZ LYS A 872 28.204 30.506 -3.107 1.00 88.73 N ATOM 2720 HZ1 LYS A 872 29.167 30.473 -2.715 1.00 0.00 H ATOM 2721 HZ2 LYS A 872 28.244 30.389 -4.140 1.00 0.00 H ATOM 2722 HZ3 LYS A 872 27.766 31.421 -2.878 1.00 0.00 H ATOM 2723 H LYS A 872 29.440 24.905 -0.585 1.00 0.00 H ATOM 2724 N GLY A 873 28.010 22.354 -2.012 1.00 48.74 N ATOM 2725 CA GLY A 873 27.810 20.957 -2.421 1.00 49.89 C ATOM 2726 C GLY A 873 26.979 20.229 -1.382 1.00 51.10 C ATOM 2727 O GLY A 873 25.843 19.817 -1.696 1.00 55.27 O ATOM 2728 H GLY A 873 28.985 22.712 -1.954 1.00 0.00 H ATOM 2729 N GLN A 874 27.495 20.153 -0.160 1.00 48.33 N ATOM 2730 CA GLN A 874 26.862 19.425 0.954 1.00 46.46 C ATOM 2731 C GLN A 874 25.481 20.030 1.200 1.00 46.20 C ATOM 2732 O GLN A 874 24.548 19.251 1.366 1.00 49.80 O ATOM 2733 CB GLN A 874 27.780 19.439 2.174 1.00 53.38 C ATOM 2734 CG GLN A 874 29.076 18.673 1.940 1.00 55.20 C ATOM 2735 CD GLN A 874 28.843 17.208 1.675 1.00 57.23 C ATOM 2736 OE1 GLN A 874 28.467 16.426 2.558 1.00 59.87 O ATOM 2737 NE2 GLN A 874 29.119 16.811 0.449 1.00 63.32 N ATOM 2738 HE22 GLN A 874 29.432 17.501 -0.263 1.00 0.00 H ATOM 2739 HE21 GLN A 874 29.024 15.807 0.194 1.00 0.00 H ATOM 2740 H GLN A 874 28.398 20.635 0.021 1.00 0.00 H ATOM 2741 N ILE A 875 25.317 21.353 1.159 1.00 51.07 N ATOM 2742 CA ILE A 875 23.971 21.978 1.369 1.00 50.01 C ATOM 2743 C ILE A 875 23.024 21.516 0.247 1.00 54.32 C ATOM 2744 O ILE A 875 21.813 21.253 0.538 1.00 50.65 O ATOM 2745 CB ILE A 875 24.047 23.513 1.515 1.00 48.74 C ATOM 2746 CG1 ILE A 875 24.579 23.899 2.901 1.00 55.86 C ATOM 2747 CG2 ILE A 875 22.694 24.179 1.268 1.00 49.17 C ATOM 2748 CD1 ILE A 875 25.011 25.351 3.044 1.00 53.15 C ATOM 2749 H ILE A 875 26.139 21.963 0.978 1.00 0.00 H ATOM 2750 N GLY A 876 23.541 21.430 -0.986 1.00 55.25 N ATOM 2751 CA GLY A 876 22.782 20.961 -2.160 1.00 50.69 C ATOM 2752 C GLY A 876 22.333 19.526 -1.939 1.00 50.22 C ATOM 2753 O GLY A 876 21.161 19.213 -2.157 1.00 43.94 O ATOM 2754 H GLY A 876 24.533 21.710 -1.123 1.00 0.00 H ATOM 2755 N PHE A 877 23.264 18.680 -1.505 1.00 45.40 N ATOM 2756 CA PHE A 877 23.037 17.242 -1.283 1.00 48.06 C ATOM 2757 C PHE A 877 22.037 17.033 -0.138 1.00 49.25 C ATOM 2758 O PHE A 877 21.169 16.161 -0.214 1.00 50.89 O ATOM 2759 CB PHE A 877 24.358 16.530 -1.009 1.00 48.84 C ATOM 2760 CG PHE A 877 24.138 15.050 -0.879 1.00 53.79 C ATOM 2761 CD1 PHE A 877 24.012 14.257 -2.006 1.00 54.70 C ATOM 2762 CD2 PHE A 877 23.936 14.477 0.364 1.00 56.18 C ATOM 2763 CE1 PHE A 877 23.772 12.898 -1.884 1.00 56.77 C ATOM 2764 CE2 PHE A 877 23.708 13.117 0.478 1.00 58.16 C ATOM 2765 CZ PHE A 877 23.615 12.333 -0.645 1.00 56.71 C ATOM 2766 H PHE A 877 24.213 19.059 -1.310 1.00 0.00 H ATOM 2767 N ILE A 878 22.218 17.769 0.946 1.00 51.61 N ATOM 2768 CA ILE A 878 21.255 17.789 2.073 1.00 48.43 C ATOM 2769 C ILE A 878 19.883 18.188 1.530 1.00 44.42 C ATOM 2770 O ILE A 878 18.912 17.483 1.851 1.00 54.57 O ATOM 2771 CB ILE A 878 21.780 18.701 3.193 1.00 44.69 C ATOM 2772 CG1 ILE A 878 22.921 17.994 3.915 1.00 45.88 C ATOM 2773 CG2 ILE A 878 20.680 19.116 4.153 1.00 47.31 C ATOM 2774 CD1 ILE A 878 23.671 18.892 4.843 1.00 53.30 C ATOM 2775 H ILE A 878 23.072 18.359 1.010 1.00 0.00 H ATOM 2776 N ASP A 879 19.778 19.252 0.744 1.00 44.35 N ATOM 2777 CA ASP A 879 18.443 19.814 0.398 1.00 53.75 C ATOM 2778 C ASP A 879 17.704 18.919 -0.609 1.00 58.62 C ATOM 2779 O ASP A 879 16.530 18.642 -0.367 1.00 53.38 O ATOM 2780 CB ASP A 879 18.550 21.263 -0.056 1.00 58.64 C ATOM 2781 CG ASP A 879 18.747 22.214 1.121 1.00 63.72 C ATOM 2782 OD1 ASP A 879 18.687 21.748 2.285 1.00 64.63 O ATOM 2783 OD2 ASP A 879 18.963 23.412 0.874 1.00 66.34 O ATOM 2784 H ASP A 879 20.638 19.698 0.365 1.00 0.00 H ATOM 2785 N PHE A 880 18.365 18.415 -1.656 1.00 63.94 N ATOM 2786 CA PHE A 880 17.685 17.707 -2.775 1.00 61.18 C ATOM 2787 C PHE A 880 17.618 16.197 -2.507 1.00 56.08 C ATOM 2788 O PHE A 880 16.561 15.663 -2.833 1.00 48.05 O ATOM 2789 CB PHE A 880 18.306 18.071 -4.127 1.00 63.86 C ATOM 2790 CG PHE A 880 18.030 19.502 -4.516 1.00 73.36 C ATOM 2791 CD1 PHE A 880 16.743 19.911 -4.837 1.00 79.31 C ATOM 2792 CD2 PHE A 880 19.042 20.454 -4.508 1.00 80.40 C ATOM 2793 CE1 PHE A 880 16.478 21.229 -5.172 1.00 84.44 C ATOM 2794 CE2 PHE A 880 18.774 21.774 -4.840 1.00 86.40 C ATOM 2795 CZ PHE A 880 17.495 22.159 -5.174 1.00 86.73 C ATOM 2796 H PHE A 880 19.399 18.522 -1.690 1.00 0.00 H ATOM 2797 N VAL A 881 18.636 15.564 -1.904 1.00 47.87 N ATOM 2798 CA VAL A 881 18.669 14.083 -1.702 1.00 44.65 C ATOM 2799 C VAL A 881 18.408 13.659 -0.242 1.00 44.01 C ATOM 2800 O VAL A 881 17.377 12.991 0.003 1.00 50.30 O ATOM 2801 CB VAL A 881 19.978 13.486 -2.237 1.00 49.72 C ATOM 2802 CG1 VAL A 881 20.008 11.989 -2.048 1.00 47.95 C ATOM 2803 CG2 VAL A 881 20.211 13.840 -3.704 1.00 52.44 C ATOM 2804 H VAL A 881 19.439 16.130 -1.561 1.00 0.00 H ATOM 2805 N ALA A 882 19.286 13.971 0.708 1.00 41.08 N ATOM 2806 CA ALA A 882 19.370 13.258 2.011 1.00 42.65 C ATOM 2807 C ALA A 882 18.302 13.709 3.025 1.00 44.66 C ATOM 2808 O ALA A 882 17.699 12.858 3.703 1.00 49.03 O ATOM 2809 CB ALA A 882 20.741 13.413 2.567 1.00 40.20 C ATOM 2810 H ALA A 882 19.948 14.754 0.530 1.00 0.00 H ATOM 2811 N ALA A 883 18.042 14.996 3.158 1.00 47.79 N ATOM 2812 CA ALA A 883 17.101 15.472 4.192 1.00 47.64 C ATOM 2813 C ALA A 883 15.702 14.965 3.864 1.00 44.13 C ATOM 2814 O ALA A 883 15.039 14.421 4.733 1.00 50.40 O ATOM 2815 CB ALA A 883 17.182 16.970 4.331 1.00 47.40 C ATOM 2816 H ALA A 883 18.505 15.682 2.528 1.00 0.00 H ATOM 2817 N PRO A 884 15.192 15.145 2.631 1.00 46.04 N ATOM 2818 CA PRO A 884 13.860 14.656 2.267 1.00 41.16 C ATOM 2819 C PRO A 884 13.718 13.144 2.448 1.00 45.96 C ATOM 2820 O PRO A 884 12.704 12.697 2.968 1.00 51.20 O ATOM 2821 CB PRO A 884 13.742 14.988 0.774 1.00 45.35 C ATOM 2822 CG PRO A 884 14.696 16.156 0.578 1.00 46.39 C ATOM 2823 CD PRO A 884 15.841 15.873 1.527 1.00 48.04 C ATOM 2824 N PHE A 885 14.765 12.410 2.070 1.00 41.22 N ATOM 2825 CA PHE A 885 14.841 10.938 2.156 1.00 38.72 C ATOM 2826 C PHE A 885 14.697 10.490 3.598 1.00 36.82 C ATOM 2827 O PHE A 885 13.769 9.677 3.914 1.00 39.62 O ATOM 2828 CB PHE A 885 16.168 10.414 1.598 1.00 41.08 C ATOM 2829 CG PHE A 885 16.341 8.918 1.717 1.00 41.41 C ATOM 2830 CD1 PHE A 885 15.720 8.050 0.824 1.00 45.17 C ATOM 2831 CD2 PHE A 885 17.124 8.370 2.717 1.00 38.00 C ATOM 2832 CE1 PHE A 885 15.904 6.677 0.923 1.00 43.31 C ATOM 2833 CE2 PHE A 885 17.316 7.001 2.796 1.00 43.77 C ATOM 2834 CZ PHE A 885 16.673 6.151 1.926 1.00 40.24 C ATOM 2835 H PHE A 885 15.591 12.912 1.686 1.00 0.00 H ATOM 2836 N PHE A 886 15.594 10.951 4.462 1.00 35.50 N ATOM 2837 CA PHE A 886 15.583 10.522 5.882 1.00 37.95 C ATOM 2838 C PHE A 886 14.303 11.035 6.554 1.00 38.88 C ATOM 2839 O PHE A 886 13.670 10.248 7.267 1.00 40.21 O ATOM 2840 CB PHE A 886 16.871 10.937 6.592 1.00 44.44 C ATOM 2841 CG PHE A 886 18.052 10.039 6.317 1.00 37.61 C ATOM 2842 CD1 PHE A 886 18.203 8.859 6.999 1.00 35.67 C ATOM 2843 CD2 PHE A 886 18.986 10.379 5.370 1.00 38.66 C ATOM 2844 CE1 PHE A 886 19.278 8.034 6.751 1.00 39.38 C ATOM 2845 CE2 PHE A 886 20.061 9.554 5.113 1.00 38.11 C ATOM 2846 CZ PHE A 886 20.206 8.383 5.809 1.00 40.92 C ATOM 2847 H PHE A 886 16.317 11.625 4.137 1.00 0.00 H ATOM 2848 N GLN A 887 13.884 12.277 6.297 1.00 39.34 N ATOM 2849 CA GLN A 887 12.649 12.812 6.942 1.00 43.73 C ATOM 2850 C GLN A 887 11.483 11.867 6.595 1.00 44.49 C ATOM 2851 O GLN A 887 10.767 11.436 7.518 1.00 41.70 O ATOM 2852 CB GLN A 887 12.413 14.267 6.527 1.00 47.38 C ATOM 2853 CG GLN A 887 11.069 14.842 6.963 1.00 53.11 C ATOM 2854 CD GLN A 887 9.963 14.626 5.947 1.00 60.89 C ATOM 2855 OE1 GLN A 887 10.062 14.997 4.771 1.00 60.74 O ATOM 2856 NE2 GLN A 887 8.888 13.991 6.397 1.00 69.19 N ATOM 2857 HE22 GLN A 887 8.838 13.693 7.392 1.00 0.00 H ATOM 2858 HE21 GLN A 887 8.095 13.791 5.754 1.00 0.00 H ATOM 2859 H GLN A 887 14.424 12.877 5.641 1.00 0.00 H ATOM 2860 N LYS A 888 11.314 11.525 5.310 1.00 45.96 N ATOM 2861 CA LYS A 888 10.129 10.772 4.823 1.00 46.59 C ATOM 2862 C LYS A 888 10.091 9.342 5.388 1.00 49.79 C ATOM 2863 O LYS A 888 8.980 8.863 5.658 1.00 41.07 O ATOM 2864 CB LYS A 888 10.136 10.745 3.303 1.00 52.20 C ATOM 2865 CG LYS A 888 9.571 11.997 2.671 1.00 50.31 C ATOM 2866 CD LYS A 888 9.919 12.151 1.209 1.00 50.62 C ATOM 2867 CE LYS A 888 9.179 13.334 0.626 1.00 54.30 C ATOM 2868 NZ LYS A 888 9.694 13.649 -0.716 1.00 62.01 N ATOM 2869 HZ1 LYS A 888 10.706 13.879 -0.652 1.00 0.00 H ATOM 2870 HZ2 LYS A 888 9.563 12.826 -1.338 1.00 0.00 H ATOM 2871 HZ3 LYS A 888 9.176 14.464 -1.103 1.00 0.00 H ATOM 2872 H LYS A 888 12.045 11.799 4.623 1.00 0.00 H ATOM 2873 N ILE A 889 11.238 8.676 5.545 1.00 44.01 N ATOM 2874 CA ILE A 889 11.266 7.263 6.001 1.00 42.87 C ATOM 2875 C ILE A 889 11.087 7.241 7.513 1.00 41.40 C ATOM 2876 O ILE A 889 10.469 6.276 8.023 1.00 44.77 O ATOM 2877 CB ILE A 889 12.528 6.482 5.556 1.00 39.76 C ATOM 2878 CG1 ILE A 889 13.818 6.993 6.190 1.00 37.70 C ATOM 2879 CG2 ILE A 889 12.633 6.437 4.048 1.00 41.88 C ATOM 2880 CD1 ILE A 889 15.029 6.129 5.875 1.00 40.95 C ATOM 2881 H ILE A 889 12.136 9.160 5.342 1.00 0.00 H ATOM 2882 N VAL A 890 11.665 8.214 8.204 1.00 42.00 N ATOM 2883 CA VAL A 890 11.462 8.370 9.670 1.00 43.61 C ATOM 2884 C VAL A 890 9.974 8.627 9.926 1.00 43.85 C ATOM 2885 O VAL A 890 9.443 7.959 10.804 1.00 46.53 O ATOM 2886 CB VAL A 890 12.370 9.449 10.286 1.00 44.91 C ATOM 2887 CG1 VAL A 890 11.967 9.774 11.716 1.00 41.06 C ATOM 2888 CG2 VAL A 890 13.837 9.013 10.253 1.00 46.68 C ATOM 2889 H VAL A 890 12.279 8.889 7.706 1.00 0.00 H ATOM 2890 N ASP A 891 9.333 9.551 9.199 1.00 47.09 N ATOM 2891 CA ASP A 891 7.897 9.885 9.408 1.00 47.38 C ATOM 2892 C ASP A 891 7.044 8.670 9.056 1.00 50.63 C ATOM 2893 O ASP A 891 6.181 8.300 9.835 1.00 50.88 O ATOM 2894 CB ASP A 891 7.449 11.092 8.585 1.00 54.88 C ATOM 2895 CG ASP A 891 7.931 12.428 9.134 1.00 61.36 C ATOM 2896 OD1 ASP A 891 8.719 12.419 10.121 1.00 57.79 O ATOM 2897 OD2 ASP A 891 7.506 13.475 8.583 1.00 66.13 O ATOM 2898 H ASP A 891 9.860 10.056 8.458 1.00 0.00 H ATOM 2899 N ALA A 892 7.311 8.055 7.909 1.00 55.50 N ATOM 2900 CA ALA A 892 6.524 6.935 7.354 1.00 50.36 C ATOM 2901 C ALA A 892 6.512 5.749 8.319 1.00 47.67 C ATOM 2902 O ALA A 892 5.518 5.050 8.377 1.00 48.04 O ATOM 2903 CB ALA A 892 7.079 6.542 6.008 1.00 52.61 C ATOM 2904 H ALA A 892 8.132 8.386 7.363 1.00 0.00 H ATOM 2905 N CYS A 893 7.582 5.502 9.055 1.00 50.34 N ATOM 2906 CA CYS A 893 7.828 4.133 9.545 1.00 53.61 C ATOM 2907 C CYS A 893 8.983 4.065 10.545 1.00 51.36 C ATOM 2908 O CYS A 893 8.769 3.469 11.615 1.00 53.75 O ATOM 2909 CB CYS A 893 8.142 3.239 8.345 1.00 55.04 C ATOM 2910 SG CYS A 893 7.876 1.497 8.708 1.00 59.74 S ATOM 2911 H CYS A 893 8.246 6.268 9.287 1.00 0.00 H ATOM 2912 N LEU A 894 10.172 4.577 10.192 1.00 49.56 N ATOM 2913 CA LEU A 894 11.416 4.337 10.991 1.00 50.32 C ATOM 2914 C LEU A 894 11.620 5.478 12.014 1.00 51.71 C ATOM 2915 O LEU A 894 12.687 6.156 11.963 1.00 52.04 O ATOM 2916 CB LEU A 894 12.611 4.141 10.039 1.00 46.90 C ATOM 2917 CG LEU A 894 12.394 3.191 8.845 1.00 43.18 C ATOM 2918 CD1 LEU A 894 13.642 3.075 7.973 1.00 40.90 C ATOM 2919 CD2 LEU A 894 11.971 1.824 9.305 1.00 45.67 C ATOM 2920 H LEU A 894 10.232 5.161 9.334 1.00 0.00 H ATOM 2921 N GLN A 895 10.673 5.650 12.960 1.00 54.08 N ATOM 2922 CA GLN A 895 10.714 6.721 14.013 1.00 57.82 C ATOM 2923 C GLN A 895 11.987 6.619 14.874 1.00 46.62 C ATOM 2924 O GLN A 895 12.487 7.656 15.308 1.00 47.82 O ATOM 2925 CB GLN A 895 9.489 6.701 14.924 1.00 62.37 C ATOM 2926 CG GLN A 895 8.275 7.378 14.300 1.00 76.12 C ATOM 2927 CD GLN A 895 7.494 6.441 13.407 1.00 85.45 C ATOM 2928 OE1 GLN A 895 7.360 5.252 13.702 1.00 84.79 O ATOM 2929 NE2 GLN A 895 6.962 6.977 12.311 1.00 80.93 N ATOM 2930 HE22 GLN A 895 7.103 7.987 12.105 1.00 0.00 H ATOM 2931 HE21 GLN A 895 6.405 6.386 11.661 1.00 0.00 H ATOM 2932 H GLN A 895 9.862 4.999 12.960 1.00 0.00 H ATOM 2933 N GLY A 896 12.499 5.413 15.089 1.00 47.39 N ATOM 2934 CA GLY A 896 13.730 5.160 15.857 1.00 45.98 C ATOM 2935 C GLY A 896 14.930 5.873 15.263 1.00 47.11 C ATOM 2936 O GLY A 896 15.927 5.998 15.996 1.00 48.66 O ATOM 2937 H GLY A 896 11.998 4.594 14.689 1.00 0.00 H ATOM 2938 N MET A 897 14.892 6.253 13.973 1.00 47.33 N ATOM 2939 CA MET A 897 16.080 6.813 13.257 1.00 45.50 C ATOM 2940 C MET A 897 16.037 8.355 13.240 1.00 44.02 C ATOM 2941 O MET A 897 16.841 8.978 12.511 1.00 39.04 O ATOM 2942 CB MET A 897 16.139 6.270 11.827 1.00 44.04 C ATOM 2943 CG MET A 897 16.823 4.931 11.719 1.00 45.59 C ATOM 2944 SD MET A 897 16.794 4.193 10.023 1.00 46.39 S ATOM 2945 CE MET A 897 17.872 5.337 9.161 1.00 41.37 C ATOM 2946 H MET A 897 13.998 6.153 13.451 1.00 0.00 H ATOM 2947 N GLN A 898 15.174 8.965 14.061 1.00 42.00 N ATOM 2948 CA GLN A 898 15.007 10.436 14.154 1.00 42.26 C ATOM 2949 C GLN A 898 16.383 11.117 14.201 1.00 41.72 C ATOM 2950 O GLN A 898 16.548 12.183 13.576 1.00 44.62 O ATOM 2951 CB GLN A 898 14.178 10.762 15.394 1.00 49.03 C ATOM 2952 CG GLN A 898 13.850 12.237 15.572 1.00 51.75 C ATOM 2953 CD GLN A 898 13.246 12.892 14.353 1.00 53.56 C ATOM 2954 OE1 GLN A 898 12.209 12.457 13.840 1.00 45.85 O ATOM 2955 NE2 GLN A 898 13.894 13.967 13.903 1.00 48.70 N ATOM 2956 HE22 GLN A 898 14.763 14.286 14.376 1.00 0.00 H ATOM 2957 HE21 GLN A 898 13.530 14.486 13.079 1.00 0.00 H ATOM 2958 H GLN A 898 14.582 8.369 14.674 1.00 0.00 H ATOM 2959 N TRP A 899 17.358 10.541 14.900 1.00 38.48 N ATOM 2960 CA TRP A 899 18.661 11.226 15.106 1.00 39.86 C ATOM 2961 C TRP A 899 19.290 11.588 13.759 1.00 44.52 C ATOM 2962 O TRP A 899 20.014 12.590 13.697 1.00 58.72 O ATOM 2963 CB TRP A 899 19.606 10.391 15.965 1.00 42.30 C ATOM 2964 CG TRP A 899 20.467 9.428 15.204 1.00 44.42 C ATOM 2965 CD1 TRP A 899 21.629 9.676 14.536 1.00 50.55 C ATOM 2966 CD2 TRP A 899 20.241 8.014 15.090 1.00 49.09 C ATOM 2967 NE1 TRP A 899 22.156 8.511 14.032 1.00 51.77 N ATOM 2968 CE2 TRP A 899 21.320 7.480 14.348 1.00 45.13 C ATOM 2969 CE3 TRP A 899 19.229 7.164 15.548 1.00 42.76 C ATOM 2970 CZ2 TRP A 899 21.406 6.131 14.049 1.00 47.27 C ATOM 2971 CZ3 TRP A 899 19.336 5.824 15.271 1.00 48.83 C ATOM 2972 CH2 TRP A 899 20.396 5.322 14.520 1.00 46.79 C ATOM 2973 HE1 TRP A 899 23.045 8.429 13.498 1.00 0.00 H ATOM 2974 H TRP A 899 17.206 9.597 15.309 1.00 0.00 H ATOM 2975 N THR A 900 19.052 10.803 12.715 1.00 41.86 N ATOM 2976 CA THR A 900 19.626 11.065 11.377 1.00 38.20 C ATOM 2977 C THR A 900 19.121 12.423 10.910 1.00 41.71 C ATOM 2978 O THR A 900 19.929 13.192 10.365 1.00 37.49 O ATOM 2979 CB THR A 900 19.307 9.972 10.346 1.00 37.98 C ATOM 2980 OG1 THR A 900 17.902 9.953 10.082 1.00 41.42 O ATOM 2981 CG2 THR A 900 19.807 8.605 10.752 1.00 37.03 C ATOM 2982 HG1 THR A 900 17.412 9.766 10.922 1.00 0.00 H ATOM 2983 H THR A 900 18.439 9.973 12.843 1.00 0.00 H ATOM 2984 N VAL A 901 17.824 12.692 11.088 1.00 40.54 N ATOM 2985 CA VAL A 901 17.219 13.979 10.659 1.00 41.91 C ATOM 2986 C VAL A 901 17.753 15.146 11.508 1.00 46.54 C ATOM 2987 O VAL A 901 17.908 16.253 10.962 1.00 52.09 O ATOM 2988 CB VAL A 901 15.692 13.901 10.721 1.00 44.12 C ATOM 2989 CG1 VAL A 901 15.056 15.279 10.547 1.00 41.30 C ATOM 2990 CG2 VAL A 901 15.167 12.901 9.696 1.00 42.02 C ATOM 2991 H VAL A 901 17.219 11.978 11.541 1.00 0.00 H ATOM 2992 N ASP A 902 17.975 14.920 12.796 1.00 45.31 N ATOM 2993 CA ASP A 902 18.583 15.907 13.727 1.00 47.23 C ATOM 2994 C ASP A 902 19.994 16.286 13.229 1.00 42.59 C ATOM 2995 O ASP A 902 20.253 17.458 13.081 1.00 40.60 O ATOM 2996 CB ASP A 902 18.577 15.357 15.159 1.00 43.92 C ATOM 2997 CG ASP A 902 17.182 15.033 15.676 1.00 50.34 C ATOM 2998 OD1 ASP A 902 16.210 15.527 15.082 1.00 48.75 O ATOM 2999 OD2 ASP A 902 17.077 14.257 16.662 1.00 51.67 O ATOM 3000 H ASP A 902 17.706 13.992 13.180 1.00 0.00 H ATOM 3001 N ARG A 903 20.864 15.309 12.988 1.00 41.52 N ATOM 3002 CA ARG A 903 22.264 15.531 12.574 1.00 46.08 C ATOM 3003 C ARG A 903 22.323 16.166 11.178 1.00 50.93 C ATOM 3004 O ARG A 903 23.169 17.014 10.951 1.00 53.54 O ATOM 3005 CB ARG A 903 23.040 14.221 12.625 1.00 49.05 C ATOM 3006 CG ARG A 903 24.536 14.434 12.452 1.00 66.38 C ATOM 3007 CD ARG A 903 25.195 14.990 13.694 1.00 72.66 C ATOM 3008 NE ARG A 903 25.144 14.045 14.802 1.00 83.87 N ATOM 3009 CZ ARG A 903 25.825 14.165 15.940 1.00 89.67 C ATOM 3010 NH1 ARG A 903 25.701 13.231 16.869 1.00 95.97 N ATOM 3011 NH2 ARG A 903 26.630 15.200 16.140 1.00 80.18 N ATOM 3012 HE ARG A 903 24.529 13.213 14.696 1.00 0.00 H ATOM 3013 HH12 ARG A 903 26.227 13.313 17.762 1.00 0.00 H ATOM 3014 HH11 ARG A 903 25.077 12.415 16.706 1.00 0.00 H ATOM 3015 HH22 ARG A 903 27.157 15.284 17.033 1.00 0.00 H ATOM 3016 HH21 ARG A 903 26.734 15.928 15.404 1.00 0.00 H ATOM 3017 H ARG A 903 20.538 14.328 13.098 1.00 0.00 H ATOM 3018 N ILE A 904 21.427 15.780 10.285 1.00 54.49 N ATOM 3019 CA ILE A 904 21.431 16.403 8.937 1.00 54.31 C ATOM 3020 C ILE A 904 21.130 17.884 9.129 1.00 52.49 C ATOM 3021 O ILE A 904 21.775 18.699 8.492 1.00 44.61 O ATOM 3022 CB ILE A 904 20.392 15.730 8.030 1.00 51.80 C ATOM 3023 CG1 ILE A 904 20.937 14.433 7.438 1.00 54.12 C ATOM 3024 CG2 ILE A 904 19.921 16.685 6.954 1.00 50.86 C ATOM 3025 CD1 ILE A 904 19.889 13.572 6.808 1.00 55.76 C ATOM 3026 H ILE A 904 20.728 15.048 10.524 1.00 0.00 H ATOM 3027 N LYS A 905 20.168 18.181 9.993 1.00 53.98 N ATOM 3028 CA LYS A 905 19.741 19.570 10.286 1.00 55.48 C ATOM 3029 C LYS A 905 20.919 20.351 10.868 1.00 55.87 C ATOM 3030 O LYS A 905 21.176 21.454 10.407 1.00 50.56 O ATOM 3031 CB LYS A 905 18.613 19.529 11.312 1.00 63.99 C ATOM 3032 CG LYS A 905 17.691 20.731 11.330 1.00 69.33 C ATOM 3033 CD LYS A 905 16.738 20.684 12.483 1.00 78.49 C ATOM 3034 CE LYS A 905 16.693 21.973 13.267 1.00 80.88 C ATOM 3035 NZ LYS A 905 15.898 23.005 12.567 1.00 81.07 N ATOM 3036 HZ1 LYS A 905 16.324 23.198 11.638 1.00 0.00 H ATOM 3037 HZ2 LYS A 905 14.924 22.663 12.438 1.00 0.00 H ATOM 3038 HZ3 LYS A 905 15.888 23.877 13.134 1.00 0.00 H ATOM 3039 H LYS A 905 19.690 17.402 10.489 1.00 0.00 H ATOM 3040 N SER A 906 21.607 19.763 11.837 1.00 47.15 N ATOM 3041 CA SER A 906 22.746 20.441 12.490 1.00 50.28 C ATOM 3042 C SER A 906 23.925 20.539 11.526 1.00 50.60 C ATOM 3043 O SER A 906 24.623 21.530 11.576 1.00 54.93 O ATOM 3044 CB SER A 906 23.092 19.763 13.775 1.00 45.99 C ATOM 3045 OG SER A 906 24.375 19.179 13.730 1.00 56.50 O ATOM 3046 HG SER A 906 24.405 18.506 13.005 1.00 0.00 H ATOM 3047 H SER A 906 21.340 18.806 12.143 1.00 0.00 H ATOM 3048 N ASN A 907 24.135 19.528 10.695 1.00 49.31 N ATOM 3049 CA ASN A 907 25.258 19.570 9.732 1.00 46.04 C ATOM 3050 C ASN A 907 24.998 20.692 8.735 1.00 45.81 C ATOM 3051 O ASN A 907 25.910 21.433 8.444 1.00 53.28 O ATOM 3052 CB ASN A 907 25.475 18.223 9.060 1.00 45.07 C ATOM 3053 CG ASN A 907 26.432 17.370 9.850 1.00 46.56 C ATOM 3054 OD1 ASN A 907 27.163 17.884 10.676 1.00 57.42 O ATOM 3055 ND2 ASN A 907 26.421 16.076 9.631 1.00 43.53 N ATOM 3056 HD22 ASN A 907 25.781 15.675 8.916 1.00 0.00 H ATOM 3057 HD21 ASN A 907 27.052 15.452 10.173 1.00 0.00 H ATOM 3058 H ASN A 907 23.506 18.700 10.720 1.00 0.00 H ATOM 3059 N ARG A 908 23.773 20.801 8.253 1.00 41.99 N ATOM 3060 CA ARG A 908 23.424 21.862 7.291 1.00 45.26 C ATOM 3061 C ARG A 908 23.771 23.216 7.895 1.00 50.96 C ATOM 3062 O ARG A 908 24.458 23.974 7.239 1.00 53.25 O ATOM 3063 CB ARG A 908 21.923 21.843 7.016 1.00 44.16 C ATOM 3064 CG ARG A 908 21.507 22.691 5.831 1.00 43.14 C ATOM 3065 CD ARG A 908 20.025 22.938 5.795 1.00 43.99 C ATOM 3066 NE ARG A 908 19.662 23.564 4.547 1.00 51.83 N ATOM 3067 CZ ARG A 908 19.823 24.847 4.273 1.00 62.80 C ATOM 3068 NH1 ARG A 908 20.327 25.663 5.174 1.00 60.65 N ATOM 3069 NH2 ARG A 908 19.465 25.321 3.100 1.00 60.68 N ATOM 3070 HE ARG A 908 19.243 22.962 3.809 1.00 0.00 H ATOM 3071 HH12 ARG A 908 20.451 26.671 4.951 1.00 0.00 H ATOM 3072 HH11 ARG A 908 20.602 25.300 6.109 1.00 0.00 H ATOM 3073 HH22 ARG A 908 19.592 26.331 2.886 1.00 0.00 H ATOM 3074 HH21 ARG A 908 19.054 24.686 2.386 1.00 0.00 H ATOM 3075 H ARG A 908 23.042 20.127 8.557 1.00 0.00 H ATOM 3076 N ALA A 909 23.310 23.467 9.124 1.00 58.89 N ATOM 3077 CA ALA A 909 23.511 24.745 9.847 1.00 53.93 C ATOM 3078 C ALA A 909 24.998 25.051 10.024 1.00 50.74 C ATOM 3079 O ALA A 909 25.351 26.214 9.983 1.00 53.71 O ATOM 3080 CB ALA A 909 22.787 24.718 11.161 1.00 52.24 C ATOM 3081 H ALA A 909 22.775 22.716 9.605 1.00 0.00 H ATOM 3082 N GLN A 910 25.811 24.034 10.261 1.00 44.67 N ATOM 3083 CA GLN A 910 27.267 24.233 10.368 1.00 49.70 C ATOM 3084 C GLN A 910 27.815 24.656 8.999 1.00 52.12 C ATOM 3085 O GLN A 910 28.726 25.452 8.981 1.00 53.65 O ATOM 3086 CB GLN A 910 27.915 22.965 10.911 1.00 54.34 C ATOM 3087 CG GLN A 910 29.384 23.127 11.246 1.00 64.02 C ATOM 3088 CD GLN A 910 29.609 23.423 12.705 1.00 78.11 C ATOM 3089 OE1 GLN A 910 29.084 24.389 13.247 1.00 78.10 O ATOM 3090 NE2 GLN A 910 30.395 22.581 13.354 1.00 65.58 N ATOM 3091 HE22 GLN A 910 30.819 21.774 12.853 1.00 0.00 H ATOM 3092 HE21 GLN A 910 30.589 22.725 14.365 1.00 0.00 H ATOM 3093 H GLN A 910 25.416 23.079 10.374 1.00 0.00 H ATOM 3094 N TRP A 911 27.283 24.139 7.894 1.00 49.80 N ATOM 3095 CA TRP A 911 27.798 24.568 6.569 1.00 45.65 C ATOM 3096 C TRP A 911 27.332 26.001 6.312 1.00 45.61 C ATOM 3097 O TRP A 911 28.104 26.776 5.787 1.00 44.59 O ATOM 3098 CB TRP A 911 27.379 23.622 5.443 1.00 43.13 C ATOM 3099 CG TRP A 911 28.050 22.285 5.422 1.00 38.99 C ATOM 3100 CD1 TRP A 911 27.461 21.081 5.640 1.00 41.66 C ATOM 3101 CD2 TRP A 911 29.423 21.997 5.126 1.00 42.22 C ATOM 3102 NE1 TRP A 911 28.369 20.073 5.522 1.00 44.59 N ATOM 3103 CE2 TRP A 911 29.581 20.604 5.211 1.00 43.79 C ATOM 3104 CE3 TRP A 911 30.539 22.774 4.819 1.00 51.51 C ATOM 3105 CZ2 TRP A 911 30.798 19.977 4.987 1.00 48.28 C ATOM 3106 CZ3 TRP A 911 31.743 22.156 4.595 1.00 44.64 C ATOM 3107 CH2 TRP A 911 31.868 20.777 4.683 1.00 49.14 C ATOM 3108 HE1 TRP A 911 28.168 19.061 5.649 1.00 0.00 H ATOM 3109 H TRP A 911 26.514 23.441 7.958 1.00 0.00 H ATOM 3110 N GLU A 912 26.091 26.314 6.668 1.00 46.87 N ATOM 3111 CA GLU A 912 25.565 27.690 6.494 1.00 51.64 C ATOM 3112 C GLU A 912 26.440 28.657 7.293 1.00 58.80 C ATOM 3113 O GLU A 912 26.623 29.782 6.840 1.00 58.47 O ATOM 3114 CB GLU A 912 24.121 27.795 6.971 1.00 48.41 C ATOM 3115 CG GLU A 912 23.114 27.353 5.940 1.00 57.99 C ATOM 3116 CD GLU A 912 22.838 28.346 4.831 1.00 65.27 C ATOM 3117 OE1 GLU A 912 23.696 29.186 4.582 1.00 75.35 O ATOM 3118 OE2 GLU A 912 21.768 28.274 4.222 1.00 68.02 O ATOM 3119 H GLU A 912 25.477 25.581 7.076 1.00 0.00 H ATOM 3120 N ARG A 913 26.941 28.222 8.450 1.00 59.31 N ATOM 3121 CA ARG A 913 27.818 29.082 9.277 1.00 57.41 C ATOM 3122 C ARG A 913 29.140 29.265 8.546 1.00 50.95 C ATOM 3123 O ARG A 913 29.702 30.331 8.661 1.00 52.41 O ATOM 3124 CB ARG A 913 28.079 28.459 10.645 1.00 62.35 C ATOM 3125 CG ARG A 913 27.179 28.990 11.743 1.00 71.08 C ATOM 3126 CD ARG A 913 27.427 28.327 13.079 1.00 77.01 C ATOM 3127 NE ARG A 913 26.128 28.142 13.691 1.00 92.53 N ATOM 3128 CZ ARG A 913 25.618 26.967 14.005 1.00 93.94 C ATOM 3129 NH1 ARG A 913 26.327 25.875 13.793 1.00 89.92 N ATOM 3130 NH2 ARG A 913 24.419 26.891 14.552 1.00 88.14 N ATOM 3131 HE ARG A 913 25.561 28.989 13.896 1.00 0.00 H ATOM 3132 HH12 ARG A 913 25.933 24.944 14.037 1.00 0.00 H ATOM 3133 HH11 ARG A 913 27.280 25.945 13.382 1.00 0.00 H ATOM 3134 HH22 ARG A 913 24.018 25.964 14.799 1.00 0.00 H ATOM 3135 HH21 ARG A 913 23.875 27.758 14.736 1.00 0.00 H ATOM 3136 H ARG A 913 26.712 27.262 8.777 1.00 0.00 H ATOM 3137 N VAL A 914 29.616 28.231 7.861 1.00 47.31 N ATOM 3138 CA VAL A 914 30.885 28.346 7.092 1.00 50.12 C ATOM 3139 C VAL A 914 30.676 29.418 6.023 1.00 56.81 C ATOM 3140 O VAL A 914 31.578 30.224 5.827 1.00 56.74 O ATOM 3141 CB VAL A 914 31.323 27.006 6.485 1.00 52.05 C ATOM 3142 CG1 VAL A 914 32.455 27.189 5.499 1.00 54.09 C ATOM 3143 CG2 VAL A 914 31.726 26.018 7.554 1.00 48.70 C ATOM 3144 H VAL A 914 29.096 27.331 7.862 1.00 0.00 H ATOM 3145 N LEU A 915 29.504 29.429 5.394 1.00 52.22 N ATOM 3146 CA LEU A 915 29.150 30.455 4.376 1.00 53.29 C ATOM 3147 C LEU A 915 29.090 31.831 5.019 1.00 50.93 C ATOM 3148 O LEU A 915 29.786 32.732 4.524 1.00 59.09 O ATOM 3149 CB LEU A 915 27.805 30.148 3.716 1.00 54.85 C ATOM 3150 CG LEU A 915 27.766 28.867 2.887 1.00 65.30 C ATOM 3151 CD1 LEU A 915 26.418 28.757 2.186 1.00 64.67 C ATOM 3152 CD2 LEU A 915 28.924 28.799 1.894 1.00 61.14 C ATOM 3153 H LEU A 915 28.807 28.691 5.623 1.00 0.00 H ATOM 3154 N GLU A 916 28.254 31.980 6.048 1.00 54.72 N ATOM 3155 CA GLU A 916 27.956 33.276 6.723 1.00 53.72 C ATOM 3156 C GLU A 916 29.253 34.003 7.129 1.00 50.50 C ATOM 3157 O GLU A 916 29.247 35.238 7.160 1.00 47.02 O ATOM 3158 CB GLU A 916 27.104 33.027 7.954 1.00 56.15 C ATOM 3159 CG GLU A 916 26.349 34.251 8.380 1.00 64.42 C ATOM 3160 CD GLU A 916 25.731 34.094 9.748 1.00 71.94 C ATOM 3161 OE1 GLU A 916 25.094 35.063 10.206 1.00 68.94 O ATOM 3162 OE2 GLU A 916 25.880 32.991 10.337 1.00 77.00 O ATOM 3163 H GLU A 916 27.775 31.129 6.406 1.00 0.00 H ATOM 3164 N THR A 917 30.320 33.257 7.422 1.00 51.65 N ATOM 3165 CA THR A 917 31.706 33.746 7.602 1.00 51.89 C ATOM 3166 C THR A 917 32.450 33.451 6.292 1.00 55.77 C ATOM 3167 O THR A 917 33.461 34.050 6.006 1.00 73.73 O ATOM 3168 CB THR A 917 32.282 33.123 8.890 1.00 58.34 C ATOM 3169 OG1 THR A 917 32.481 31.713 8.796 1.00 46.94 O ATOM 3170 CG2 THR A 917 31.373 33.325 10.081 1.00 54.72 C ATOM 3171 HG1 THR A 917 33.115 31.519 8.061 1.00 0.00 H ATOM 3172 H THR A 917 30.163 32.235 7.535 1.00 0.00 H TER 3173 THR A 917 HETATM 3174 ZN ZN A 1 28.180 2.345 -1.625 1.00 47.28 ZN HETATM 3175 MG MG A 2 27.401 1.729 -5.459 1.00 30.38 MG HETATM 3176 O HOH 3 -5.857 -2.002 4.684 1.00 46.74 O HETATM 3177 O HOH 4 10.670 -12.307 5.224 1.00 28.84 O HETATM 3178 O HOH 5 19.600 23.068 9.459 1.00 47.53 O HETATM 3179 O HOH 6 20.702 5.239 -1.493 1.00 48.91 O HETATM 3180 O HOH 7 26.462 3.330 -9.101 1.00 67.47 O HETATM 3181 O HOH 8 34.108 30.125 7.786 1.00 51.79 O HETATM 3182 O HOH 9 19.138 13.641 17.934 1.00 49.63 O HETATM 3183 O HOH 10 28.003 5.348 12.411 1.00 53.33 O HETATM 3184 O HOH 11 26.060 9.564 13.482 1.00 51.53 O HETATM 3185 O HOH 12 38.002 11.886 3.332 1.00 48.68 O HETATM 3186 O HOH 13 13.766 -21.649 -2.934 1.00 52.00 O HETATM 3187 O HOH 14 33.691 2.438 -11.401 1.00 54.12 O HETATM 3188 O HOH 15 27.055 2.128 -3.662 1.00 39.34 O HETATM 3189 O HOH 16 33.847 4.683 19.585 1.00 55.06 O HETATM 3190 O HOH 17 24.534 -0.159 16.806 1.00 45.11 O HETATM 3191 O HOH 18 37.492 8.709 -9.820 1.00 54.16 O HETATM 3192 O HOH 19 -2.353 5.249 5.474 1.00 54.75 O HETATM 3193 O HOH 20 0.000 3.713 0.000 1.00 32.70 O HETATM 3194 O HOH 21 28.358 7.331 6.533 1.00 45.61 O HETATM 3195 O HOH 22 26.479 0.087 -5.295 1.00 33.02 O HETATM 3196 O HOH 23 25.103 -10.504 20.752 1.00 68.76 O HETATM 3197 O HOH 24 27.181 7.285 23.079 1.00 72.85 O HETATM 3198 O HOH 25 17.498 0.594 20.925 1.00 60.40 O HETATM 3199 O HOH 26 -5.869 -6.488 4.852 1.00 66.44 O HETATM 3200 O HOH 27 3.396 5.490 6.880 1.00 52.46 O HETATM 3201 O HOH 28 22.717 4.260 -3.102 1.00 44.17 O HETATM 3202 O HOH 29 4.207 6.340 3.937 1.00 55.14 O HETATM 3203 O HOH 30 28.285 3.822 -2.670 1.00 37.65 O HETATM 3204 O HOH 31 18.498 4.173 -5.584 1.00 50.10 O HETATM 3205 O HOH 32 15.330 11.998 -1.734 1.00 42.65 O HETATM 3206 O HOH 33 4.761 0.088 -3.031 1.00 38.29 O HETATM 3207 O HOH 34 26.820 17.931 13.328 1.00 55.55 O HETATM 3208 O HOH 35 39.887 17.171 -4.418 1.00 61.63 O HETATM 3209 O HOH 36 23.662 28.250 10.410 1.00 56.91 O HETATM 3210 O HOH 37 11.953 3.124 18.188 1.00 57.99 O HETATM 3211 O HOH 38 34.348 1.194 -27.690 1.00 60.42 O HETATM 3212 O HOH 39 16.325 23.865 1.078 1.00 57.22 O HETATM 3213 O HOH 40 31.244 3.765 10.414 1.00 47.08 O HETATM 3214 O HOH 41 23.749 -15.064 19.125 1.00 52.79 O HETATM 3215 O HOH 42 6.680 10.245 5.353 1.00 44.43 O HETATM 3216 O HOH 43 32.735 16.351 14.160 1.00 53.48 O HETATM 3217 O HOH 44 31.112 6.062 3.464 1.00 47.87 O HETATM 3218 O HOH 45 25.401 11.289 2.390 1.00 63.56 O HETATM 3219 O HOH 46 10.024 10.851 14.276 1.00 52.94 O HETATM 3220 O HOH 47 19.261 19.062 15.083 1.00 47.82 O HETATM 3221 O HOH 48 33.065 9.096 -10.120 1.00 58.71 O HETATM 3222 O HOH 49 24.853 5.309 20.371 1.00 66.61 O HETATM 3223 O HOH 50 13.680 -2.487 20.737 1.00 54.30 O HETATM 3224 O HOH 51 30.480 13.998 -15.519 1.00 62.59 O HETATM 3225 O HOH 52 48.314 -7.684 7.145 1.00 54.88 O HETATM 3226 O HOH 53 26.612 24.843 16.346 1.00 54.63 O HETATM 3227 O HOH 54 15.736 -4.008 -6.226 1.00 44.31 O HETATM 3228 O HOH 55 36.571 -0.673 -4.989 1.00 47.71 O HETATM 3229 O HOH 56 20.923 -12.142 17.223 1.00 56.00 O HETATM 3230 O HOH 57 34.505 -2.108 -19.671 1.00 49.58 O HETATM 3231 O HOH 58 18.468 -21.126 -3.568 1.00 54.74 O HETATM 3232 O HOH 59 12.588 -17.705 -0.505 1.00 44.22 O HETATM 3233 O HOH 60 32.094 7.472 -8.413 1.00 63.07 O HETATM 3234 O HOH 61 27.726 3.498 -30.916 1.00 71.26 O HETATM 3235 O HOH 62 16.000 5.184 18.696 1.00 62.79 O HETATM 3236 O HOH 63 27.598 -25.293 6.826 1.00 61.16 O HETATM 3237 O HOH 64 11.241 13.686 10.366 1.00 59.58 O HETATM 3238 O HOH 65 26.762 5.027 -10.938 1.00 58.62 O HETATM 3239 O HOH 66 30.350 14.283 17.911 1.00 15.60 O HETATM 3240 O HOH 67 30.918 7.517 9.309 1.00 48.88 O HETATM 3241 O HOH 68 36.738 -14.600 17.501 1.00 63.84 O HETATM 3242 O HOH 69 32.298 6.251 10.988 1.00 56.05 O HETATM 3243 O HOH 70 17.417 -23.109 6.105 1.00 53.22 O HETATM 3244 O HOH 71 25.230 5.846 12.277 1.00 48.99 O HETATM 3245 O HOH 72 8.096 -2.082 15.473 1.00 50.43 O HETATM 3246 O HOH 73 24.297 30.755 9.470 1.00 61.51 O HETATM 3247 O HOH 74 10.965 -10.620 1.664 1.00 35.20 O HETATM 3248 O HOH 75 35.649 16.944 -22.154 1.00 61.79 O HETATM 3249 O HOH 76 3.844 -11.897 2.181 1.00 44.13 O HETATM 3250 O HOH 77 26.752 9.258 1.763 1.00 48.83 O HETATM 3251 O HOH 78 17.049 20.508 4.373 1.00 49.72 O HETATM 3252 O HOH 79 24.084 8.074 11.743 1.00 45.33 O HETATM 3253 O HOH 80 13.162 -13.843 6.499 1.00 47.20 O HETATM 3254 O HOH 81 9.763 9.690 -4.783 1.00 64.15 O HETATM 3255 O HOH 82 21.745 -22.441 14.736 1.00 56.69 O HETATM 3256 O HOH 83 25.407 2.289 -6.196 1.00 47.55 O HETATM 3257 O HOH 84 13.092 -9.973 2.381 1.00 32.31 O HETATM 3258 O HOH 85 25.064 -10.649 -15.009 1.00 42.48 O HETATM 3259 O HOH 86 20.963 25.320 8.055 1.00 49.35 O HETATM 3260 O HOH 87 16.887 8.660 17.168 1.00 43.60 O HETATM 3261 O HOH 88 35.408 24.196 -1.106 1.00 68.26 O HETATM 3262 O HOH 89 -3.848 1.432 5.170 1.00 40.90 O HETATM 3263 O HOH 90 16.825 17.501 8.448 1.00 40.08 O HETATM 3264 O HOH 91 13.910 -16.999 8.879 1.00 58.70 O HETATM 3265 O HOH 92 11.321 0.022 -2.314 1.00 54.85 O HETATM 3266 O HOH 93 13.861 6.639 -9.691 1.00 60.01 O HETATM 3267 O HOH 94 36.618 6.304 7.444 1.00 63.34 O HETATM 3268 O HOH 95 27.790 1.298 -7.392 1.00 40.94 O HETATM 3269 O HOH 96 35.365 6.032 17.732 1.00 58.82 O HETATM 3270 O HOH 97 22.840 -26.360 4.948 1.00 61.30 O HETATM 3271 O HOH 98 7.727 3.218 -7.534 1.00 56.16 O HETATM 3272 O HOH 99 31.272 25.947 14.700 1.00 50.82 O HETATM 3273 O HOH 100 25.826 7.199 -13.204 1.00 55.86 O HETATM 3274 O HOH 101 26.638 -7.164 21.626 1.00 65.16 O HETATM 3275 O HOH 102 40.180 10.084 -0.033 1.00 68.68 O HETATM 3276 O HOH 103 28.415 3.484 -5.792 1.00 61.46 O HETATM 3277 O HOH 104 0.683 3.405 8.145 1.00 62.63 O HETATM 3278 O HOH 105 15.213 -4.153 22.554 1.00 44.73 O HETATM 3279 O HOH 106 28.641 4.912 -8.047 1.00 48.61 O HETATM 3280 O HOH 107 13.420 3.856 -11.900 1.00 59.02 O HETATM 3281 O HOH 108 35.570 -20.822 13.641 1.00 56.25 O HETATM 3282 O HOH 109 24.503 5.396 -8.134 1.00 56.39 O HETATM 3283 O HOH 110 28.126 6.253 -2.515 1.00 53.18 O HETATM 3284 O HOH 111 15.285 19.395 2.460 1.00 61.66 O HETATM 3285 O HOH 112 28.612 -14.490 -11.857 1.00 56.46 O HETATM 3286 O HOH 113 12.265 16.254 12.361 1.00 51.01 O HETATM 3287 O HOH 114 15.694 9.303 -9.059 1.00 55.89 O HETATM 3288 O HOH 115 2.812 7.513 -0.463 1.00 55.72 O HETATM 3289 O HOH 116 27.819 7.565 -26.315 1.00 56.44 O HETATM 3290 O HOH 117 26.052 -15.247 19.971 1.00 57.03 O HETATM 3291 O HOH 118 22.195 -0.451 20.158 1.00 62.75 O HETATM 3292 O HOH 119 42.329 -3.552 -0.772 1.00 58.22 O HETATM 3293 O HOH 120 27.928 8.926 -9.297 1.00 54.02 O HETATM 3294 O HOH 121 40.264 -1.388 -0.243 1.00 59.16 O HETATM 3295 O HOH 122 -0.240 0.922 8.148 1.00 50.69 O HETATM 3296 O HOH 123 32.598 -21.150 15.184 1.00 62.49 O HETATM 3297 O HOH 124 8.966 -5.511 17.899 1.00 52.67 O HETATM 3298 O HOH 125 30.309 3.913 -32.428 1.00 65.50 O HETATM 3299 O HOH 126 12.879 17.230 4.240 1.00 65.97 O HETATM 3300 O HOH 127 4.441 9.772 6.791 1.00 54.29 O HETATM 3301 O HOH 128 12.999 13.064 -1.953 1.00 51.84 O HETATM 3302 O HOH 129 41.841 0.681 -0.227 1.00 54.60 O HETATM 3303 O HOH 130 -4.752 3.506 5.974 1.00 65.96 O HETATM 3304 O HOH 131 6.923 -12.531 5.198 1.00 58.22 O HETATM 3305 O HOH 132 5.033 1.379 9.097 1.00 58.69 O HETATM 3306 O HOH 133 24.128 -1.990 19.358 1.00 49.91 O HETATM 3307 O HOH 134 -2.705 -8.510 3.832 1.00 58.69 O HETATM 3308 O HOH 135 12.192 -18.098 4.222 1.00 59.71 O HETATM 3309 O HOH 136 22.718 16.744 16.423 1.00 57.79 O HETATM 3310 O HOH 137 12.560 -14.869 -1.945 1.00 60.48 O HETATM 3311 O HOH 138 27.084 0.497 -30.651 1.00 53.81 O HETATM 3312 O HOH 139 29.540 7.295 -7.748 1.00 50.33 O HETATM 3313 O HOH 140 15.002 19.003 9.702 1.00 47.70 O HETATM 3314 O HOH 141 17.839 19.816 6.820 1.00 49.06 O HETATM 3315 O HOH 142 17.475 22.188 8.099 1.00 47.06 O HETATM 3316 O HOH 143 14.253 18.365 12.216 1.00 50.97 O HETATM 3317 O HOH 144 21.203 27.632 9.456 1.00 54.93 O HETATM 3318 O HOH 145 3.387 2.145 11.083 1.00 60.08 O HETATM 3319 O HOH 146 36.384 -3.820 -19.966 1.00 52.39 O HETATM 3320 O HOH 147 39.848 10.263 3.178 1.00 52.88 O HETATM 3321 O HOH 148 0.000 6.580 0.000 1.00 62.41 O HETATM 3322 C6 K A 1 27.306 10.474 -1.813 1.00 -0.06 C HETATM 3323 C5 K A 1 27.004 11.063 -3.036 1.00 -0.02 C HETATM 3324 C8 K A 1 26.444 10.260 -4.160 1.00 0.05 C HETATM 3325 N1 K A 1 25.845 10.923 -5.086 1.00 -0.20 N HETATM 3326 N2 K A 1 25.308 10.217 -6.121 1.00 -0.17 N HETATM 3327 C12 K A 1 25.709 8.951 -6.495 1.00 0.22 C HETATM 3328 C13 K A 1 26.801 8.300 -5.673 1.00 0.08 C HETATM 3329 C14 K A 1 26.896 6.769 -5.810 1.00 -0.01 C HETATM 3330 C15 K A 1 25.912 6.041 -4.958 1.00 -0.10 C HETATM 3331 C16 K A 1 25.288 6.587 -3.934 1.00 -0.10 C HETATM 3332 C17 K A 1 25.409 8.026 -3.554 1.00 -0.02 C HETATM 3333 C18 K A 1 26.609 8.738 -4.199 1.00 0.03 C HETATM 3334 H20 K A 1 27.512 8.468 -3.631 1.00 0.05 H HETATM 3335 H18 K A 1 25.515 8.089 -2.461 1.00 0.04 H HETATM 3336 H19 K A 1 24.490 8.545 -3.864 1.00 0.04 H HETATM 3337 H17 K A 1 24.645 5.950 -3.328 1.00 0.05 H HETATM 3338 H16 K A 1 25.697 5.000 -5.195 1.00 0.05 H HETATM 3339 H14 K A 1 27.909 6.454 -5.521 1.00 0.04 H HETATM 3340 H15 K A 1 26.715 6.500 -6.861 1.00 0.04 H HETATM 3341 H13 K A 1 27.761 8.706 -6.025 1.00 0.06 H HETATM 3342 O2 K A 1 25.173 8.397 -7.439 1.00 -0.38 O HETATM 3343 C9 K A 1 24.271 10.948 -6.897 1.00 0.07 C HETATM 3344 C10 K A 1 24.962 11.870 -7.891 1.00 -0.04 C HETATM 3345 H7 K A 1 24.204 12.417 -8.472 1.00 0.03 H HETATM 3346 H8 K A 1 25.586 11.273 -8.572 1.00 0.03 H HETATM 3347 H9 K A 1 25.595 12.587 -7.347 1.00 0.03 H HETATM 3348 C11 K A 1 23.318 11.696 -5.966 1.00 -0.04 C HETATM 3349 H10 K A 1 22.849 10.983 -5.272 1.00 0.03 H HETATM 3350 H11 K A 1 22.539 12.194 -6.562 1.00 0.03 H HETATM 3351 H12 K A 1 23.880 12.449 -5.394 1.00 0.03 H HETATM 3352 H30 K A 1 23.679 10.215 -7.464 1.00 0.06 H HETATM 3353 C4 K A 1 27.220 12.434 -3.223 1.00 -0.04 C HETATM 3354 C3 K A 1 27.742 13.220 -2.190 1.00 0.06 C HETATM 3355 C2 K A 1 28.053 12.604 -0.958 1.00 0.11 C HETATM 3356 C7 K A 1 27.825 11.238 -0.784 1.00 -0.03 C HETATM 3357 H29 K A 1 28.057 10.772 0.167 1.00 0.06 H HETATM 3358 O1 K A 1 28.565 13.434 0.008 1.00 -0.32 O HETATM 3359 C1 K A 1 29.186 12.839 1.147 1.00 0.06 C HETATM 3360 H4 K A 1 29.543 13.629 1.825 1.00 0.06 H HETATM 3361 H5 K A 1 30.037 12.224 0.821 1.00 0.06 H HETATM 3362 H6 K A 1 28.456 12.206 1.674 1.00 0.06 H HETATM 3363 C19 K A 1 28.016 14.624 -2.379 1.00 -0.05 C HETATM 3364 C20 K A 1 28.357 15.768 -2.533 1.00 0.01 C HETATM 3365 C21 K A 1 28.834 17.089 -2.807 1.00 0.25 C HETATM 3366 N3 K A 1 28.548 17.521 -4.042 1.00 -0.28 N HETATM 3367 C22 K A 1 28.267 16.609 -5.133 1.00 0.04 C HETATM 3368 C23 K A 1 27.320 17.206 -6.114 1.00 0.00 C HETATM 3369 C24 K A 1 25.867 17.368 -5.716 1.00 -0.01 C HETATM 3370 C25 K A 1 24.978 16.299 -5.651 1.00 0.13 C HETATM 3371 C26 K A 1 23.641 16.442 -5.367 1.00 -0.03 C HETATM 3372 C27 K A 1 23.148 17.708 -5.158 1.00 -0.07 C HETATM 3373 C28 K A 1 23.989 18.805 -5.227 1.00 -0.07 C HETATM 3374 C29 K A 1 25.338 18.640 -5.511 1.00 -0.06 C HETATM 3375 H28 K A 1 25.985 19.508 -5.574 1.00 0.05 H HETATM 3376 H27 K A 1 23.592 19.799 -5.058 1.00 0.06 H HETATM 3377 H26 K A 1 22.096 17.848 -4.938 1.00 0.05 H HETATM 3378 H25 K A 1 22.991 15.577 -5.309 1.00 0.06 H HETATM 3379 F1 K A 1 25.454 15.043 -5.857 1.00 -0.19 F HETATM 3380 H23 K A 1 27.341 16.571 -7.012 1.00 0.04 H HETATM 3381 H24 K A 1 27.701 18.207 -6.364 1.00 0.04 H HETATM 3382 H21 K A 1 27.825 15.688 -4.724 1.00 0.05 H HETATM 3383 H22 K A 1 29.209 16.366 -5.647 1.00 0.05 H HETATM 3384 H3 K A 1 28.528 18.505 -4.217 1.00 0.19 H HETATM 3385 O3 K A 1 29.469 17.775 -2.004 1.00 -0.38 O HETATM 3386 H2 K A 1 26.981 12.890 -4.177 1.00 0.06 H HETATM 3387 H1 K A 1 27.134 9.414 -1.666 1.00 0.06 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 861 859 860 3174 CONECT 1208 1206 1207 3174 CONECT 1216 1215 3175 CONECT 1217 1215 3174 CONECT 2214 2213 3174 CONECT 3174 861 1208 1217 2214 CONECT 3175 1216 CONECT 3322 3323 3356 3387 CONECT 3323 3322 3324 3353 CONECT 3324 3323 3325 3333 CONECT 3325 3324 3326 CONECT 3326 3325 3327 3343 CONECT 3327 3326 3328 3342 CONECT 3328 3327 3329 3333 3341 CONECT 3329 3328 3330 3339 3340 CONECT 3330 3329 3331 3338 CONECT 3331 3330 3332 3337 CONECT 3332 3331 3333 3335 3336 CONECT 3333 3324 3328 3332 3334 CONECT 3334 3333 CONECT 3335 3332 CONECT 3336 3332 CONECT 3337 3331 CONECT 3338 3330 CONECT 3339 3329 CONECT 3340 3329 CONECT 3341 3328 CONECT 3342 3327 CONECT 3343 3326 3344 3348 3352 CONECT 3344 3343 3345 3346 3347 CONECT 3345 3344 CONECT 3346 3344 CONECT 3347 3344 CONECT 3348 3343 3349 3350 3351 CONECT 3349 3348 CONECT 3350 3348 CONECT 3351 3348 CONECT 3352 3343 CONECT 3353 3323 3354 3386 CONECT 3354 3353 3355 3363 CONECT 3355 3354 3356 3358 CONECT 3356 3322 3355 3357 CONECT 3357 3356 CONECT 3358 3355 3359 CONECT 3359 3358 3360 3361 3362 CONECT 3360 3359 CONECT 3361 3359 CONECT 3362 3359 CONECT 3363 3354 3364 CONECT 3364 3363 3365 CONECT 3365 3364 3366 3385 CONECT 3366 3365 3367 3384 CONECT 3367 3366 3368 3382 3383 CONECT 3368 3367 3369 3380 3381 CONECT 3369 3368 3370 3374 CONECT 3370 3369 3371 3379 CONECT 3371 3370 3372 3378 CONECT 3372 3371 3373 3377 CONECT 3373 3372 3374 3376 CONECT 3374 3369 3373 3375 CONECT 3375 3374 CONECT 3376 3373 CONECT 3377 3372 CONECT 3378 3371 CONECT 3379 3370 CONECT 3380 3368 CONECT 3381 3368 CONECT 3382 3367 CONECT 3383 3367 CONECT 3384 3366 CONECT 3385 3365 CONECT 3386 3353 CONECT 3387 3322 MASTER 0 0 0 0 0 0 0 0 3386 1 77 26 END
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Related entries of code: 6rfw
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Protein Sequence Similarity
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PDBbind
360aa, >5G2B_1|Chains... *
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PDBbind
360aa, >5G57_1|Chains... at 100%
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PDBbind
360aa, >5G5V_1|Chains... at 100%
5l8c
RCSB PDB
PDBbind
360aa, >5L8C_1|Chains... at 100%
5l8y
RCSB PDB
PDBbind
360aa, >5L8Y_1|Chains... at 100%
5l9h
RCSB PDB
PDBbind
360aa, >5L9H_1|Chains... at 100%
6rfn
RCSB PDB
PDBbind
360aa, >6RFN_1|Chains... at 100%
6gxq
RCSB PDB
PDBbind
360aa, >6GXQ_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6rfw
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
PDE-B1
Ligand Name
K1Q
EC.Number
E.C.-.-.-.-
Resolution
2.18(Å)
Affinity (Kd/Ki/IC50)
Ki=316nM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Bioorg.Med.Chem. Vol. 27: pp. 4013-4029
Ligand Properties
Formula
C
2
9
H
3
0
FN
3
O
3
Molecular Weight
487.565
Exact Mass
487.227
No. of atoms
66
No. of bonds
69
Polar Surface Area
71
LOGP Value
5.03 (
Computed with XLOGP3
)
3.85 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 4
Canonical SMILES
COc1ccc(cc1C#CC(=O)NCCc1ccccc1F)C1=NN(C(C)C)C(=O)[C@H]2[C@@H]1CC=CC2
InChI String
InChI=1S/C29H30FN3O3/c1-19(2)33-29(35)24-10-6-5-9-23(24)28(32-33)22-12-14-26(36-3)21(18-22)13-15-27(34)31-17-16-20-8-4-7-11-25(20)30/h4-8,11-12,14,18-19,23-24H,9-10,16-17H2,1-3H3,(H,31,34)/t23-,24+/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q8WQX9
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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