Browse entries in the PDBbind-CN Database
HEADER 4WOV_COMPLEX COMPND 4WOV_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 30 SER PHE HIS ARG VAL ASP GLN LYS GLU ILE THR GLN LEU SEQRES 2 A 30 SER HIS LEU GLY GLN GLY THR ARG THR ASN VAL TYR GLU SEQRES 3 A 30 GLY ARG LEU ARG SEQRES 1 A 150 GLU LEU ARG VAL VAL LEU LYS VAL LEU ASP PRO SER HIS SEQRES 2 A 150 HIS ASP ILE ALA LEU ALA PHE TYR GLU THR ALA SER LEU SEQRES 3 A 150 MET SER GLN VAL SER HIS THR HIS LEU ALA PHE VAL HIS SEQRES 4 A 150 GLY VAL CYS VAL ARG GLY PRO GLU ASN ILE MET VAL THR SEQRES 5 A 150 GLU TYR VAL GLU HIS GLY PRO LEU ASP VAL TRP LEU ARG SEQRES 6 A 150 ARG GLU ARG GLY HIS VAL PRO MET ALA TRP LYS MET VAL SEQRES 7 A 150 VAL ALA GLN GLN LEU ALA SER ALA LEU SER TYR LEU GLU SEQRES 8 A 150 ASN LYS ASN LEU VAL HIS GLY ASN VAL CYS GLY ARG ASN SEQRES 9 A 150 ILE LEU LEU ALA ARG LEU GLY LEU ALA GLU GLY THR SER SEQRES 10 A 150 PRO PHE ILE LYS LEU SER ASP PRO GLY VAL GLY LEU GLY SEQRES 11 A 150 ALA LEU SER ARG GLU GLU ARG VAL GLU ARG ILE PRO TRP SEQRES 12 A 150 LEU ALA PRO GLU CYS LEU PRO SEQRES 1 A 78 SER THR ALA MET ASP LYS TRP GLY PHE GLY ALA THR LEU SEQRES 2 A 78 LEU GLU ILE CYS PHE ASP GLY GLU ALA PRO LEU GLN SER SEQRES 3 A 78 ARG SER PRO SER GLU LYS GLU HIS PHE TYR GLN ARG GLN SEQRES 4 A 78 HIS ARG LEU PRO GLU PRO SER CYS PRO GLN LEU ALA THR SEQRES 5 A 78 LEU THR SER GLN CYS LEU THR TYR GLU PRO THR GLN ARG SEQRES 6 A 78 PRO SER PHE ARG THR ILE LEU ARG ASP LEU THR ARG LEU HET UNN A 417 49 ATOM 1 N SER A 580 -1.904 -7.166 20.480 1.00 32.44 N ATOM 2 CA SER A 580 -1.439 -8.550 20.370 1.00 32.18 C ATOM 3 C SER A 580 -0.541 -8.776 19.163 1.00 31.80 C ATOM 4 O SER A 580 -0.978 -8.643 18.022 1.00 31.32 O ATOM 5 CB SER A 580 -2.621 -9.512 20.278 1.00 39.40 C ATOM 6 HN3 SER A 580 -2.446 -6.915 19.629 1.00 0.00 H ATOM 7 HN2 SER A 580 -1.084 -6.532 20.570 1.00 0.00 H ATOM 8 HN1 SER A 580 -2.511 -7.071 21.319 1.00 0.00 H ATOM 9 N PHE A 581 0.696 -9.199 19.414 1.00 24.35 N ATOM 10 CA PHE A 581 1.647 -9.542 18.357 1.00 22.32 C ATOM 11 C PHE A 581 2.740 -10.400 18.957 1.00 26.12 C ATOM 12 O PHE A 581 2.923 -10.387 20.180 1.00 24.85 O ATOM 13 CB PHE A 581 2.255 -8.273 17.691 1.00 23.53 C ATOM 14 CG PHE A 581 2.745 -7.208 18.643 1.00 24.11 C ATOM 15 CD1 PHE A 581 4.019 -7.283 19.209 1.00 24.94 C ATOM 16 CD2 PHE A 581 1.952 -6.111 18.948 1.00 25.25 C ATOM 17 CE1 PHE A 581 4.473 -6.285 20.082 1.00 27.10 C ATOM 18 CE2 PHE A 581 2.392 -5.129 19.849 1.00 27.62 C ATOM 19 CZ PHE A 581 3.661 -5.204 20.386 1.00 26.37 C ATOM 20 H PHE A 581 0.999 -9.290 20.405 1.00 0.00 H ATOM 21 N HIS A 582 3.496 -11.083 18.102 1.00 24.17 N ATOM 22 CA HIS A 582 4.619 -11.926 18.514 1.00 24.59 C ATOM 23 C HIS A 582 5.824 -11.043 18.932 1.00 27.28 C ATOM 24 O HIS A 582 6.174 -10.091 18.230 1.00 24.58 O ATOM 25 CB HIS A 582 5.020 -12.853 17.362 1.00 26.85 C ATOM 26 CG HIS A 582 6.163 -13.771 17.681 1.00 32.16 C ATOM 27 ND1 HIS A 582 7.381 -13.667 17.029 1.00 34.62 N ATOM 28 CD2 HIS A 582 6.243 -14.767 18.598 1.00 34.40 C ATOM 29 CE1 HIS A 582 8.157 -14.599 17.561 1.00 34.08 C ATOM 30 NE2 HIS A 582 7.519 -15.281 18.510 1.00 34.54 N ATOM 31 H HIS A 582 3.278 -11.014 17.088 1.00 0.00 H ATOM 32 N ARG A 583 6.445 -11.362 20.069 1.00 24.09 N ATOM 33 CA ARG A 583 7.645 -10.645 20.519 1.00 25.02 C ATOM 34 C ARG A 583 8.848 -11.372 19.976 1.00 29.52 C ATOM 35 O ARG A 583 8.967 -12.586 20.142 1.00 29.63 O ATOM 36 CB ARG A 583 7.721 -10.575 22.048 1.00 25.19 C ATOM 37 CG ARG A 583 6.818 -9.508 22.633 1.00 29.14 C ATOM 38 CD ARG A 583 7.331 -8.087 22.396 1.00 34.97 C ATOM 39 NE ARG A 583 8.502 -7.740 23.220 1.00 35.18 N ATOM 40 CZ ARG A 583 8.427 -7.380 24.500 1.00 42.70 C ATOM 41 NH1 ARG A 583 7.255 -7.372 25.130 1.00 33.36 N ATOM 42 NH2 ARG A 583 9.525 -7.066 25.170 1.00 32.67 N ATOM 43 HE ARG A 583 9.442 -7.778 22.776 1.00 0.00 H ATOM 44 HH12 ARG A 583 7.204 -7.090 26.130 1.00 0.00 H ATOM 45 HH11 ARG A 583 6.390 -7.648 24.623 1.00 0.00 H ATOM 46 HH22 ARG A 583 9.462 -6.785 26.169 1.00 0.00 H ATOM 47 HH21 ARG A 583 10.451 -7.100 24.697 1.00 0.00 H ATOM 48 H ARG A 583 6.070 -12.138 20.651 1.00 0.00 H ATOM 49 N VAL A 584 9.740 -10.640 19.313 1.00 26.48 N ATOM 50 CA VAL A 584 10.957 -11.204 18.735 1.00 24.86 C ATOM 51 C VAL A 584 12.100 -10.787 19.639 1.00 30.31 C ATOM 52 O VAL A 584 12.180 -9.618 19.999 1.00 27.40 O ATOM 53 CB VAL A 584 11.169 -10.674 17.280 1.00 28.57 C ATOM 54 CG1 VAL A 584 12.511 -11.146 16.711 1.00 29.30 C ATOM 55 CG2 VAL A 584 10.005 -11.082 16.360 1.00 28.38 C ATOM 56 H VAL A 584 9.563 -9.621 19.202 1.00 0.00 H ATOM 57 N ASP A 585 12.966 -11.737 20.040 1.00 29.32 N ATOM 58 CA ASP A 585 14.127 -11.402 20.873 1.00 30.23 C ATOM 59 C ASP A 585 15.214 -10.822 19.965 1.00 34.30 C ATOM 60 O ASP A 585 15.351 -11.280 18.830 1.00 34.05 O ATOM 61 CB ASP A 585 14.654 -12.663 21.586 1.00 32.60 C ATOM 62 H ASP A 585 12.810 -12.725 19.755 1.00 0.00 H ATOM 63 N GLN A 586 15.987 -9.829 20.443 1.00 32.03 N ATOM 64 CA GLN A 586 17.050 -9.204 19.638 1.00 31.98 C ATOM 65 C GLN A 586 18.070 -10.210 19.085 1.00 35.34 C ATOM 66 O GLN A 586 18.575 -10.029 17.973 1.00 34.85 O ATOM 67 CB GLN A 586 17.735 -8.059 20.399 1.00 33.87 C ATOM 68 H GLN A 586 15.828 -9.492 21.414 1.00 0.00 H ATOM 69 N LYS A 587 18.326 -11.303 19.827 1.00 32.60 N ATOM 70 CA LYS A 587 19.225 -12.385 19.402 1.00 32.28 C ATOM 71 C LYS A 587 18.712 -13.144 18.153 1.00 35.69 C ATOM 72 O LYS A 587 19.497 -13.838 17.495 1.00 35.78 O ATOM 73 CB LYS A 587 19.418 -13.388 20.572 1.00 35.13 C ATOM 74 H LYS A 587 17.861 -11.387 20.754 1.00 0.00 H ATOM 75 N GLU A 588 17.404 -13.039 17.844 1.00 30.86 N ATOM 76 CA GLU A 588 16.805 -13.758 16.716 1.00 30.98 C ATOM 77 C GLU A 588 16.919 -12.982 15.408 1.00 33.76 C ATOM 78 O GLU A 588 16.689 -13.554 14.354 1.00 34.51 O ATOM 79 CB GLU A 588 15.326 -14.097 16.997 1.00 32.94 C ATOM 80 CG GLU A 588 15.072 -15.066 18.144 1.00 43.29 C ATOM 81 CD GLU A 588 13.595 -15.238 18.463 1.00 53.94 C ATOM 82 H GLU A 588 16.799 -12.426 18.427 1.00 0.00 H ATOM 83 N ILE A 589 17.298 -11.707 15.465 1.00 29.48 N ATOM 84 CA ILE A 589 17.388 -10.899 14.249 1.00 30.28 C ATOM 85 C ILE A 589 18.786 -10.383 13.956 1.00 32.24 C ATOM 86 O ILE A 589 19.533 -10.021 14.873 1.00 31.50 O ATOM 87 CB ILE A 589 16.340 -9.737 14.256 1.00 34.75 C ATOM 88 CG1 ILE A 589 16.303 -8.998 15.611 1.00 35.81 C ATOM 89 CG2 ILE A 589 14.953 -10.277 13.859 1.00 37.35 C ATOM 90 CD1 ILE A 589 15.392 -7.701 15.681 1.00 41.80 C ATOM 91 H ILE A 589 17.533 -11.281 16.384 1.00 0.00 H ATOM 92 N THR A 590 19.122 -10.324 12.654 1.00 26.81 N ATOM 93 CA THR A 590 20.383 -9.773 12.162 1.00 26.48 C ATOM 94 C THR A 590 19.988 -8.661 11.197 1.00 28.54 C ATOM 95 O THR A 590 19.163 -8.885 10.323 1.00 26.45 O ATOM 96 CB THR A 590 21.177 -10.872 11.429 1.00 34.04 C ATOM 97 OG1 THR A 590 21.450 -11.911 12.358 1.00 41.01 O ATOM 98 CG2 THR A 590 22.464 -10.379 10.821 1.00 32.44 C ATOM 99 HG1 THR A 590 20.597 -12.277 12.702 1.00 0.00 H ATOM 100 H THR A 590 18.444 -10.692 11.957 1.00 0.00 H ATOM 101 N GLN A 591 20.566 -7.482 11.372 1.00 24.13 N ATOM 102 CA GLN A 591 20.338 -6.346 10.502 1.00 24.50 C ATOM 103 C GLN A 591 21.375 -6.335 9.373 1.00 28.52 C ATOM 104 O GLN A 591 22.587 -6.419 9.633 1.00 28.64 O ATOM 105 CB GLN A 591 20.402 -5.047 11.323 1.00 26.97 C ATOM 106 CG GLN A 591 20.078 -3.801 10.526 1.00 29.56 C ATOM 107 CD GLN A 591 20.126 -2.581 11.387 1.00 39.19 C ATOM 108 OE1 GLN A 591 19.323 -2.412 12.293 1.00 36.17 O ATOM 109 NE2 GLN A 591 21.087 -1.717 11.147 1.00 38.00 N ATOM 110 HE22 GLN A 591 21.756 -1.886 10.369 1.00 0.00 H ATOM 111 HE21 GLN A 591 21.178 -0.864 11.735 1.00 0.00 H ATOM 112 H GLN A 591 21.217 -7.366 12.175 1.00 0.00 H ATOM 113 N LEU A 592 20.905 -6.220 8.123 1.00 23.51 N ATOM 114 CA LEU A 592 21.783 -6.133 6.939 1.00 23.07 C ATOM 115 C LEU A 592 21.732 -4.710 6.346 1.00 26.92 C ATOM 116 O LEU A 592 21.677 -3.760 7.132 1.00 26.48 O ATOM 117 CB LEU A 592 21.505 -7.244 5.924 1.00 23.63 C ATOM 118 CG LEU A 592 21.584 -8.700 6.455 1.00 29.04 C ATOM 119 CD1 LEU A 592 21.231 -9.681 5.367 1.00 29.68 C ATOM 120 CD2 LEU A 592 22.987 -9.056 6.975 1.00 32.96 C ATOM 121 H LEU A 592 19.875 -6.191 7.981 1.00 0.00 H ATOM 122 N SER A 593 21.773 -4.534 5.016 1.00 23.35 N ATOM 123 CA SER A 593 21.809 -3.179 4.457 1.00 22.54 C ATOM 124 C SER A 593 20.527 -2.339 4.601 1.00 27.20 C ATOM 125 O SER A 593 19.412 -2.857 4.666 1.00 28.27 O ATOM 126 CB SER A 593 22.245 -3.196 2.990 1.00 24.57 C ATOM 127 OG SER A 593 21.252 -3.744 2.135 1.00 26.41 O ATOM 128 HG SER A 593 21.061 -4.676 2.408 1.00 0.00 H ATOM 129 H SER A 593 21.779 -5.359 4.382 1.00 0.00 H ATOM 130 N HIS A 594 20.717 -1.016 4.598 1.00 23.64 N ATOM 131 CA HIS A 594 19.658 -0.005 4.660 1.00 23.23 C ATOM 132 C HIS A 594 18.851 0.034 3.345 1.00 27.10 C ATOM 133 O HIS A 594 19.434 0.126 2.253 1.00 25.38 O ATOM 134 CB HIS A 594 20.314 1.365 4.948 1.00 23.21 C ATOM 135 CG HIS A 594 19.355 2.486 5.210 1.00 25.31 C ATOM 136 ND1 HIS A 594 19.259 3.566 4.348 1.00 26.18 N ATOM 137 CD2 HIS A 594 18.514 2.680 6.253 1.00 26.50 C ATOM 138 CE1 HIS A 594 18.388 4.398 4.903 1.00 26.50 C ATOM 139 NE2 HIS A 594 17.905 3.902 6.055 1.00 26.61 N ATOM 140 H HIS A 594 21.698 -0.676 4.547 1.00 0.00 H ATOM 141 N LEU A 595 17.511 -0.017 3.434 1.00 22.62 N ATOM 142 CA LEU A 595 16.638 0.036 2.235 1.00 21.93 C ATOM 143 C LEU A 595 16.147 1.459 1.973 1.00 26.38 C ATOM 144 O LEU A 595 15.985 1.880 0.815 1.00 25.93 O ATOM 145 CB LEU A 595 15.453 -0.946 2.348 1.00 21.94 C ATOM 146 CG LEU A 595 15.852 -2.455 2.391 1.00 26.47 C ATOM 147 CD1 LEU A 595 14.666 -3.342 2.763 1.00 25.82 C ATOM 148 CD2 LEU A 595 16.466 -2.934 1.058 1.00 29.27 C ATOM 149 H LEU A 595 17.072 -0.096 4.373 1.00 0.00 H ATOM 150 N GLY A 596 15.943 2.197 3.055 1.00 23.08 N ATOM 151 CA GLY A 596 15.536 3.591 2.989 1.00 22.03 C ATOM 152 C GLY A 596 14.874 4.077 4.258 1.00 25.94 C ATOM 153 O GLY A 596 14.854 3.380 5.278 1.00 25.35 O ATOM 154 H GLY A 596 16.080 1.761 3.989 1.00 0.00 H ATOM 155 N GLN A 597 14.341 5.293 4.201 1.00 23.06 N ATOM 156 CA GLN A 597 13.691 5.917 5.356 1.00 23.31 C ATOM 157 C GLN A 597 12.208 5.942 5.188 1.00 27.58 C ATOM 158 O GLN A 597 11.720 6.149 4.075 1.00 26.95 O ATOM 159 CB GLN A 597 14.170 7.358 5.519 1.00 25.84 C ATOM 160 CG GLN A 597 15.655 7.509 5.835 1.00 42.88 C ATOM 161 CD GLN A 597 16.105 8.954 5.894 1.00 63.81 C ATOM 162 OE1 GLN A 597 15.340 9.873 6.216 1.00 57.97 O ATOM 163 NE2 GLN A 597 17.357 9.206 5.531 1.00 65.03 N ATOM 164 HE22 GLN A 597 17.988 8.424 5.263 1.00 0.00 H ATOM 165 HE21 GLN A 597 17.707 10.185 5.515 1.00 0.00 H ATOM 166 H GLN A 597 14.387 5.820 3.305 1.00 0.00 H ATOM 167 N GLY A 598 11.505 5.769 6.305 1.00 22.98 N ATOM 168 CA GLY A 598 10.052 5.881 6.377 1.00 23.72 C ATOM 169 C GLY A 598 9.724 6.985 7.359 1.00 28.89 C ATOM 170 O GLY A 598 10.626 7.693 7.825 1.00 29.34 O ATOM 171 H GLY A 598 12.022 5.540 7.178 1.00 0.00 H ATOM 172 N THR A 599 8.449 7.111 7.729 1.00 24.46 N ATOM 173 CA THR A 599 8.005 8.113 8.709 1.00 24.56 C ATOM 174 C THR A 599 8.434 7.657 10.089 1.00 26.61 C ATOM 175 O THR A 599 7.933 6.650 10.603 1.00 25.64 O ATOM 176 CB THR A 599 6.486 8.285 8.620 1.00 32.92 C ATOM 177 OG1 THR A 599 6.153 8.566 7.263 1.00 31.18 O ATOM 178 CG2 THR A 599 5.990 9.421 9.498 1.00 36.21 C ATOM 179 HG1 THR A 599 5.173 8.681 7.182 1.00 0.00 H ATOM 180 H THR A 599 7.741 6.476 7.308 1.00 0.00 H ATOM 181 N ARG A 600 9.425 8.361 10.667 1.00 24.75 N ATOM 182 CA ARG A 600 10.011 8.050 11.984 1.00 23.62 C ATOM 183 C ARG A 600 10.706 6.679 11.985 1.00 25.80 C ATOM 184 O ARG A 600 10.903 6.098 13.049 1.00 24.91 O ATOM 185 CB ARG A 600 8.960 8.100 13.136 1.00 24.30 C ATOM 186 CG ARG A 600 8.011 9.293 13.144 1.00 33.55 C ATOM 187 CD ARG A 600 8.592 10.531 13.741 1.00 40.08 C ATOM 188 NE ARG A 600 7.554 11.553 13.866 1.00 37.82 N ATOM 189 CZ ARG A 600 7.072 12.008 15.013 1.00 39.50 C ATOM 190 NH1 ARG A 600 7.559 11.571 16.164 1.00 28.62 N ATOM 191 NH2 ARG A 600 6.148 12.951 15.019 1.00 29.46 N ATOM 192 HE ARG A 600 7.165 11.953 12.988 1.00 0.00 H ATOM 193 HH12 ARG A 600 7.176 11.932 17.061 1.00 0.00 H ATOM 194 HH11 ARG A 600 8.324 10.867 16.171 1.00 0.00 H ATOM 195 HH22 ARG A 600 5.772 13.305 15.922 1.00 0.00 H ATOM 196 HH21 ARG A 600 5.796 13.340 14.121 1.00 0.00 H ATOM 197 H ARG A 600 9.803 9.180 10.150 1.00 0.00 H ATOM 198 N THR A 601 11.111 6.171 10.807 1.00 23.55 N ATOM 199 CA THR A 601 11.740 4.853 10.733 1.00 23.00 C ATOM 200 C THR A 601 12.882 4.796 9.740 1.00 26.06 C ATOM 201 O THR A 601 12.999 5.623 8.818 1.00 25.46 O ATOM 202 CB THR A 601 10.733 3.732 10.283 1.00 28.54 C ATOM 203 OG1 THR A 601 10.297 4.023 8.969 1.00 28.08 O ATOM 204 CG2 THR A 601 9.538 3.554 11.208 1.00 29.15 C ATOM 205 HG1 THR A 601 11.077 4.042 8.360 1.00 0.00 H ATOM 206 H THR A 601 10.975 6.724 9.937 1.00 0.00 H ATOM 207 N ASN A 602 13.676 3.741 9.892 1.00 23.05 N ATOM 208 CA ASN A 602 14.699 3.342 8.944 1.00 22.19 C ATOM 209 C ASN A 602 14.413 1.870 8.636 1.00 26.63 C ATOM 210 O ASN A 602 14.196 1.076 9.546 1.00 24.66 O ATOM 211 CB ASN A 602 16.075 3.540 9.524 1.00 25.03 C ATOM 212 CG ASN A 602 16.487 4.977 9.407 1.00 37.10 C ATOM 213 OD1 ASN A 602 16.738 5.494 8.309 1.00 33.02 O ATOM 214 ND2 ASN A 602 16.411 5.666 10.501 1.00 28.01 N ATOM 215 HD22 ASN A 602 16.198 5.191 11.401 1.00 0.00 H ATOM 216 HD21 ASN A 602 16.563 6.695 10.479 1.00 0.00 H ATOM 217 H ASN A 602 13.556 3.163 10.748 1.00 0.00 H ATOM 218 N VAL A 603 14.366 1.511 7.357 1.00 23.49 N ATOM 219 CA VAL A 603 14.030 0.172 6.910 1.00 22.67 C ATOM 220 C VAL A 603 15.315 -0.536 6.455 1.00 25.50 C ATOM 221 O VAL A 603 16.093 0.062 5.719 1.00 24.45 O ATOM 222 CB VAL A 603 12.976 0.290 5.769 1.00 28.37 C ATOM 223 CG1 VAL A 603 12.578 -1.079 5.253 1.00 27.70 C ATOM 224 CG2 VAL A 603 11.730 1.048 6.242 1.00 28.98 C ATOM 225 H VAL A 603 14.582 2.230 6.637 1.00 0.00 H ATOM 226 N TYR A 604 15.526 -1.794 6.887 1.00 20.26 N ATOM 227 CA TYR A 604 16.720 -2.567 6.536 1.00 19.47 C ATOM 228 C TYR A 604 16.348 -3.937 6.074 1.00 23.27 C ATOM 229 O TYR A 604 15.318 -4.477 6.500 1.00 23.44 O ATOM 230 CB TYR A 604 17.631 -2.750 7.787 1.00 20.95 C ATOM 231 CG TYR A 604 18.151 -1.459 8.381 1.00 22.43 C ATOM 232 CD1 TYR A 604 17.389 -0.734 9.294 1.00 24.14 C ATOM 233 CD2 TYR A 604 19.431 -0.997 8.083 1.00 24.27 C ATOM 234 CE1 TYR A 604 17.860 0.446 9.853 1.00 26.26 C ATOM 235 CE2 TYR A 604 19.905 0.212 8.612 1.00 24.02 C ATOM 236 CZ TYR A 604 19.120 0.920 9.503 1.00 29.03 C ATOM 237 OH TYR A 604 19.570 2.100 10.036 1.00 30.70 O ATOM 238 HH TYR A 604 18.884 2.467 10.649 1.00 0.00 H ATOM 239 H TYR A 604 14.809 -2.237 7.497 1.00 0.00 H ATOM 240 N GLU A 605 17.166 -4.532 5.219 1.00 20.84 N ATOM 241 CA GLU A 605 16.996 -5.957 4.931 1.00 20.34 C ATOM 242 C GLU A 605 17.481 -6.658 6.199 1.00 22.87 C ATOM 243 O GLU A 605 18.421 -6.192 6.856 1.00 22.17 O ATOM 244 CB GLU A 605 17.901 -6.416 3.773 1.00 22.30 C ATOM 245 CG GLU A 605 17.664 -7.883 3.431 1.00 27.86 C ATOM 246 CD GLU A 605 18.575 -8.488 2.378 1.00 41.17 C ATOM 247 OE1 GLU A 605 19.390 -7.753 1.773 1.00 33.95 O ATOM 248 OE2 GLU A 605 18.463 -9.713 2.160 1.00 33.88 O ATOM 249 H GLU A 605 17.924 -3.991 4.756 1.00 0.00 H ATOM 250 N GLY A 606 16.888 -7.783 6.533 1.00 21.38 N ATOM 251 CA GLY A 606 17.357 -8.494 7.716 1.00 20.72 C ATOM 252 C GLY A 606 17.216 -9.980 7.583 1.00 25.20 C ATOM 253 O GLY A 606 16.811 -10.453 6.531 1.00 23.43 O ATOM 254 H GLY A 606 16.101 -8.158 5.965 1.00 0.00 H ATOM 255 N ARG A 607 17.533 -10.714 8.674 1.00 25.23 N ATOM 256 CA ARG A 607 17.407 -12.169 8.769 1.00 24.45 C ATOM 257 C ARG A 607 16.744 -12.470 10.089 1.00 27.90 C ATOM 258 O ARG A 607 17.046 -11.838 11.094 1.00 29.05 O ATOM 259 CB ARG A 607 18.778 -12.886 8.701 1.00 26.90 C ATOM 260 CG ARG A 607 19.526 -12.729 7.378 1.00 32.27 C ATOM 261 CD ARG A 607 18.869 -13.516 6.252 1.00 35.91 C ATOM 262 NE ARG A 607 19.573 -13.373 4.975 1.00 35.16 N ATOM 263 CZ ARG A 607 19.325 -12.435 4.065 1.00 47.16 C ATOM 264 NH1 ARG A 607 18.411 -11.500 4.298 1.00 29.63 N ATOM 265 NH2 ARG A 607 20.011 -12.410 2.924 1.00 34.56 N ATOM 266 HE ARG A 607 20.326 -14.059 4.763 1.00 0.00 H ATOM 267 HH12 ARG A 607 18.221 -10.769 3.583 1.00 0.00 H ATOM 268 HH11 ARG A 607 17.885 -11.499 5.195 1.00 0.00 H ATOM 269 HH22 ARG A 607 19.814 -11.675 2.215 1.00 0.00 H ATOM 270 HH21 ARG A 607 20.744 -13.125 2.742 1.00 0.00 H ATOM 271 H ARG A 607 17.893 -10.207 9.507 1.00 0.00 H ATOM 272 N LEU A 608 15.766 -13.354 10.062 1.00 24.20 N ATOM 273 CA LEU A 608 15.041 -13.792 11.263 1.00 24.45 C ATOM 274 C LEU A 608 15.360 -15.262 11.504 1.00 30.09 C ATOM 275 O LEU A 608 15.123 -16.097 10.619 1.00 31.15 O ATOM 276 CB LEU A 608 13.527 -13.635 11.071 1.00 24.54 C ATOM 277 CG LEU A 608 12.611 -14.096 12.239 1.00 29.33 C ATOM 278 CD1 LEU A 608 12.921 -13.336 13.549 1.00 28.55 C ATOM 279 CD2 LEU A 608 11.134 -13.990 11.840 1.00 32.12 C ATOM 280 H LEU A 608 15.494 -13.762 9.145 1.00 0.00 H ATOM 281 N ARG A 609 15.793 -15.558 12.758 1.00 29.00 N ATOM 282 CA ARG A 609 16.203 -16.855 13.348 1.00 47.87 C ATOM 283 C ARG A 609 17.683 -17.144 13.148 1.00103.75 C ATOM 284 O ARG A 609 18.309 -17.753 14.012 1.00 77.41 O ATOM 285 CB ARG A 609 15.349 -18.040 12.879 1.00 46.44 C ATOM 286 CG ARG A 609 13.897 -17.972 13.302 1.00 49.27 C ATOM 287 CD ARG A 609 13.147 -19.214 12.838 1.00 60.30 C ATOM 288 NE ARG A 609 12.979 -19.263 11.386 1.00 65.88 N ATOM 289 HE ARG A 609 13.357 -18.497 10.793 1.00 0.00 H ATOM 290 H ARG A 609 15.845 -14.746 13.406 1.00 0.00 H TER 291 ARG A 609 ATOM 292 N GLU A 636 17.256 -19.629 8.579 1.00 45.89 N ATOM 293 CA GLU A 636 17.116 -18.174 8.621 1.00 44.82 C ATOM 294 C GLU A 636 16.222 -17.667 7.500 1.00 44.89 C ATOM 295 O GLU A 636 16.397 -18.066 6.351 1.00 45.36 O ATOM 296 CB GLU A 636 18.480 -17.486 8.531 1.00 46.10 C ATOM 297 CG GLU A 636 19.269 -17.489 9.827 1.00 57.55 C ATOM 298 CD GLU A 636 20.200 -16.305 10.013 1.00 77.43 C ATOM 299 OE1 GLU A 636 20.215 -15.750 11.134 1.00 67.38 O ATOM 300 OE2 GLU A 636 20.911 -15.930 9.051 1.00 68.92 O ATOM 301 HN3 GLU A 636 17.676 -19.910 7.670 1.00 0.00 H ATOM 302 HN2 GLU A 636 16.319 -20.069 8.680 1.00 0.00 H ATOM 303 HN1 GLU A 636 17.872 -19.939 9.357 1.00 0.00 H ATOM 304 N LEU A 637 15.286 -16.759 7.826 1.00 37.08 N ATOM 305 CA LEU A 637 14.376 -16.194 6.839 1.00 34.99 C ATOM 306 C LEU A 637 14.752 -14.748 6.526 1.00 32.43 C ATOM 307 O LEU A 637 15.051 -13.964 7.436 1.00 28.89 O ATOM 308 CB LEU A 637 12.949 -16.228 7.395 1.00 35.81 C ATOM 309 CG LEU A 637 11.777 -16.061 6.423 1.00 42.43 C ATOM 310 CD1 LEU A 637 11.465 -17.367 5.679 1.00 42.87 C ATOM 311 CD2 LEU A 637 10.524 -15.684 7.194 1.00 46.01 C ATOM 312 H LEU A 637 15.209 -16.450 8.816 1.00 0.00 H ATOM 313 N ARG A 638 14.711 -14.392 5.238 1.00 26.94 N ATOM 314 CA ARG A 638 14.943 -13.024 4.817 1.00 25.80 C ATOM 315 C ARG A 638 13.668 -12.246 5.210 1.00 26.25 C ATOM 316 O ARG A 638 12.555 -12.674 4.908 1.00 24.90 O ATOM 317 CB ARG A 638 15.165 -12.960 3.307 1.00 26.14 C ATOM 318 CG ARG A 638 15.322 -11.519 2.811 1.00 33.42 C ATOM 319 CD ARG A 638 15.704 -11.474 1.350 1.00 33.25 C ATOM 320 NE ARG A 638 14.626 -11.967 0.491 1.00 32.91 N ATOM 321 CZ ARG A 638 14.666 -11.938 -0.837 1.00 44.72 C ATOM 322 NH1 ARG A 638 15.713 -11.419 -1.464 1.00 34.26 N ATOM 323 NH2 ARG A 638 13.629 -12.363 -1.546 1.00 35.33 N ATOM 324 HE ARG A 638 13.779 -12.363 0.947 1.00 0.00 H ATOM 325 HH12 ARG A 638 15.739 -11.399 -2.503 1.00 0.00 H ATOM 326 HH11 ARG A 638 16.508 -11.032 -0.916 1.00 0.00 H ATOM 327 HH22 ARG A 638 13.664 -12.339 -2.585 1.00 0.00 H ATOM 328 HH21 ARG A 638 12.780 -12.721 -1.063 1.00 0.00 H ATOM 329 H ARG A 638 14.507 -15.115 4.519 1.00 0.00 H ATOM 330 N VAL A 639 13.858 -11.143 5.901 1.00 23.82 N ATOM 331 CA VAL A 639 12.783 -10.255 6.398 1.00 22.66 C ATOM 332 C VAL A 639 13.183 -8.793 6.160 1.00 24.04 C ATOM 333 O VAL A 639 14.322 -8.503 5.768 1.00 22.87 O ATOM 334 CB VAL A 639 12.530 -10.503 7.922 1.00 25.91 C ATOM 335 CG1 VAL A 639 12.023 -11.914 8.201 1.00 25.87 C ATOM 336 CG2 VAL A 639 13.770 -10.187 8.784 1.00 25.55 C ATOM 337 H VAL A 639 14.840 -10.874 6.115 1.00 0.00 H ATOM 338 N VAL A 640 12.276 -7.884 6.482 1.00 20.31 N ATOM 339 CA VAL A 640 12.545 -6.460 6.495 1.00 21.62 C ATOM 340 C VAL A 640 12.447 -6.054 7.975 1.00 24.79 C ATOM 341 O VAL A 640 11.532 -6.488 8.688 1.00 24.46 O ATOM 342 CB VAL A 640 11.543 -5.679 5.597 1.00 26.71 C ATOM 343 CG1 VAL A 640 11.477 -4.208 5.973 1.00 28.18 C ATOM 344 CG2 VAL A 640 11.931 -5.820 4.123 1.00 26.60 C ATOM 345 H VAL A 640 11.322 -8.208 6.739 1.00 0.00 H ATOM 346 N LEU A 641 13.390 -5.222 8.427 1.00 20.96 N ATOM 347 CA LEU A 641 13.381 -4.671 9.779 1.00 21.14 C ATOM 348 C LEU A 641 12.996 -3.187 9.668 1.00 24.65 C ATOM 349 O LEU A 641 13.697 -2.425 8.985 1.00 23.89 O ATOM 350 CB LEU A 641 14.781 -4.802 10.430 1.00 21.14 C ATOM 351 CG LEU A 641 15.357 -6.245 10.494 1.00 25.20 C ATOM 352 CD1 LEU A 641 16.688 -6.292 11.253 1.00 25.72 C ATOM 353 CD2 LEU A 641 14.341 -7.221 11.121 1.00 26.17 C ATOM 354 H LEU A 641 14.165 -4.955 7.787 1.00 0.00 H ATOM 355 N LYS A 642 11.904 -2.786 10.329 1.00 19.59 N ATOM 356 CA LYS A 642 11.488 -1.395 10.383 1.00 19.16 C ATOM 357 C LYS A 642 11.866 -0.883 11.760 1.00 23.67 C ATOM 358 O LYS A 642 11.213 -1.198 12.754 1.00 22.35 O ATOM 359 CB LYS A 642 9.995 -1.223 10.088 1.00 21.52 C ATOM 360 CG LYS A 642 9.671 -1.572 8.659 1.00 38.03 C ATOM 361 CD LYS A 642 8.199 -1.692 8.394 1.00 51.80 C ATOM 362 CE LYS A 642 7.995 -2.201 6.988 1.00 56.47 C ATOM 363 NZ LYS A 642 7.511 -1.126 6.086 1.00 59.96 N ATOM 364 HZ1 LYS A 642 6.604 -0.761 6.440 1.00 0.00 H ATOM 365 HZ2 LYS A 642 8.210 -0.356 6.060 1.00 0.00 H ATOM 366 HZ3 LYS A 642 7.382 -1.511 5.128 1.00 0.00 H ATOM 367 H LYS A 642 11.330 -3.498 10.824 1.00 0.00 H ATOM 368 N VAL A 643 12.967 -0.136 11.813 1.00 19.84 N ATOM 369 CA VAL A 643 13.538 0.357 13.055 1.00 19.86 C ATOM 370 C VAL A 643 12.981 1.722 13.374 1.00 22.70 C ATOM 371 O VAL A 643 13.263 2.705 12.674 1.00 21.88 O ATOM 372 CB VAL A 643 15.103 0.383 12.996 1.00 23.58 C ATOM 373 CG1 VAL A 643 15.694 0.856 14.324 1.00 23.22 C ATOM 374 CG2 VAL A 643 15.681 -0.978 12.603 1.00 23.35 C ATOM 375 H VAL A 643 13.442 0.107 10.920 1.00 0.00 H ATOM 376 N LEU A 644 12.190 1.805 14.460 1.00 19.75 N ATOM 377 CA LEU A 644 11.624 3.091 14.841 1.00 19.33 C ATOM 378 C LEU A 644 12.724 4.012 15.383 1.00 26.01 C ATOM 379 O LEU A 644 13.590 3.564 16.120 1.00 26.10 O ATOM 380 CB LEU A 644 10.568 2.866 15.929 1.00 19.31 C ATOM 381 CG LEU A 644 9.669 4.061 16.289 1.00 23.45 C ATOM 382 CD1 LEU A 644 8.681 4.353 15.189 1.00 23.32 C ATOM 383 CD2 LEU A 644 8.905 3.790 17.601 1.00 21.77 C ATOM 384 H LEU A 644 11.984 0.955 15.024 1.00 0.00 H ATOM 385 N ASP A 645 12.647 5.306 15.077 1.00 25.28 N ATOM 386 CA ASP A 645 13.575 6.301 15.637 1.00 26.36 C ATOM 387 C ASP A 645 13.447 6.322 17.175 1.00 31.37 C ATOM 388 O ASP A 645 12.402 5.876 17.675 1.00 29.90 O ATOM 389 CB ASP A 645 13.103 7.700 15.177 1.00 28.34 C ATOM 390 CG ASP A 645 13.432 8.062 13.744 1.00 35.50 C ATOM 391 OD1 ASP A 645 14.140 7.271 13.078 1.00 33.82 O ATOM 392 OD2 ASP A 645 13.006 9.151 13.300 1.00 37.97 O ATOM 393 H ASP A 645 11.906 5.624 14.420 1.00 0.00 H ATOM 394 N PRO A 646 14.436 6.883 17.941 1.00 30.30 N ATOM 395 CA PRO A 646 14.215 7.096 19.393 1.00 30.26 C ATOM 396 C PRO A 646 12.924 7.903 19.503 1.00 30.05 C ATOM 397 O PRO A 646 12.748 8.914 18.803 1.00 27.29 O ATOM 398 CB PRO A 646 15.439 7.949 19.812 1.00 32.84 C ATOM 399 CG PRO A 646 16.510 7.549 18.815 1.00 36.82 C ATOM 400 CD PRO A 646 15.724 7.482 17.517 1.00 32.15 C ATOM 401 N SER A 647 11.961 7.400 20.277 1.00 26.55 N ATOM 402 CA SER A 647 10.638 8.002 20.277 1.00 26.08 C ATOM 403 C SER A 647 9.965 8.115 21.616 1.00 29.91 C ATOM 404 O SER A 647 10.233 7.303 22.498 1.00 27.80 O ATOM 405 CB SER A 647 9.718 7.171 19.373 1.00 26.32 C ATOM 406 OG SER A 647 10.111 7.245 18.011 1.00 29.00 O ATOM 407 HG SER A 647 9.496 6.698 17.461 1.00 0.00 H ATOM 408 H SER A 647 12.157 6.576 20.881 1.00 0.00 H ATOM 409 N HIS A 648 9.008 9.063 21.726 1.00 27.73 N ATOM 410 CA HIS A 648 8.151 9.188 22.902 1.00 28.96 C ATOM 411 C HIS A 648 7.199 7.982 22.910 1.00 28.50 C ATOM 412 O HIS A 648 7.045 7.313 21.879 1.00 24.22 O ATOM 413 CB HIS A 648 7.322 10.474 22.840 1.00 31.77 C ATOM 414 CG HIS A 648 8.117 11.699 23.159 1.00 37.77 C ATOM 415 ND1 HIS A 648 8.764 11.841 24.369 1.00 40.44 N ATOM 416 CD2 HIS A 648 8.349 12.798 22.402 1.00 41.06 C ATOM 417 CE1 HIS A 648 9.360 13.020 24.316 1.00 40.78 C ATOM 418 NE2 HIS A 648 9.149 13.624 23.145 1.00 41.18 N ATOM 419 H HIS A 648 8.876 9.732 20.940 1.00 0.00 H ATOM 420 N HIS A 649 6.529 7.734 24.053 1.00 24.77 N ATOM 421 CA HIS A 649 5.614 6.609 24.196 1.00 24.10 C ATOM 422 C HIS A 649 4.427 6.640 23.238 1.00 25.57 C ATOM 423 O HIS A 649 3.981 5.576 22.809 1.00 26.13 O ATOM 424 CB HIS A 649 5.144 6.487 25.660 1.00 24.31 C ATOM 425 CG HIS A 649 6.245 6.043 26.572 1.00 27.01 C ATOM 426 ND1 HIS A 649 6.813 4.787 26.456 1.00 28.14 N ATOM 427 CD2 HIS A 649 6.863 6.710 27.573 1.00 28.35 C ATOM 428 CE1 HIS A 649 7.769 4.738 27.372 1.00 27.74 C ATOM 429 NE2 HIS A 649 7.832 5.864 28.070 1.00 27.94 N ATOM 430 H HIS A 649 6.670 8.370 24.864 1.00 0.00 H ATOM 431 N ASP A 650 3.905 7.826 22.908 1.00 22.38 N ATOM 432 CA ASP A 650 2.717 7.903 22.032 1.00 23.29 C ATOM 433 C ASP A 650 3.007 7.417 20.607 1.00 24.86 C ATOM 434 O ASP A 650 2.151 6.775 19.961 1.00 23.26 O ATOM 435 CB ASP A 650 2.059 9.294 22.054 1.00 25.60 C ATOM 436 CG ASP A 650 2.917 10.472 21.673 1.00 44.49 C ATOM 437 OD1 ASP A 650 4.136 10.407 21.869 1.00 46.26 O ATOM 438 OD2 ASP A 650 2.356 11.492 21.254 1.00 59.36 O ATOM 439 H ASP A 650 4.338 8.700 23.270 1.00 0.00 H ATOM 440 N ILE A 651 4.238 7.652 20.154 1.00 22.00 N ATOM 441 CA ILE A 651 4.696 7.218 18.825 1.00 22.18 C ATOM 442 C ILE A 651 4.903 5.714 18.864 1.00 24.20 C ATOM 443 O ILE A 651 4.469 5.005 17.952 1.00 23.74 O ATOM 444 CB ILE A 651 5.987 7.987 18.398 1.00 25.87 C ATOM 445 CG1 ILE A 651 5.746 9.520 18.317 1.00 26.92 C ATOM 446 CG2 ILE A 651 6.574 7.448 17.077 1.00 26.68 C ATOM 447 CD1 ILE A 651 4.706 9.996 17.201 1.00 34.53 C ATOM 448 H ILE A 651 4.904 8.165 20.767 1.00 0.00 H ATOM 449 N ALA A 652 5.564 5.209 19.924 1.00 22.18 N ATOM 450 CA ALA A 652 5.797 3.762 20.012 1.00 20.80 C ATOM 451 C ALA A 652 4.457 3.026 20.117 1.00 21.37 C ATOM 452 O ALA A 652 4.315 1.996 19.481 1.00 22.32 O ATOM 453 CB ALA A 652 6.687 3.429 21.195 1.00 21.49 C ATOM 454 H ALA A 652 5.907 5.841 20.676 1.00 0.00 H ATOM 455 N LEU A 653 3.460 3.580 20.869 1.00 20.06 N ATOM 456 CA LEU A 653 2.125 2.952 20.965 1.00 19.18 C ATOM 457 C LEU A 653 1.452 2.863 19.563 1.00 24.02 C ATOM 458 O LEU A 653 0.849 1.844 19.248 1.00 25.34 O ATOM 459 CB LEU A 653 1.211 3.702 21.963 1.00 18.82 C ATOM 460 CG LEU A 653 -0.254 3.224 22.053 1.00 23.35 C ATOM 461 CD1 LEU A 653 -0.361 1.732 22.415 1.00 24.78 C ATOM 462 CD2 LEU A 653 -1.038 4.088 23.040 1.00 28.24 C ATOM 463 H LEU A 653 3.644 4.464 21.386 1.00 0.00 H ATOM 464 N ALA A 654 1.559 3.915 18.746 1.00 20.16 N ATOM 465 CA ALA A 654 0.979 3.919 17.382 1.00 20.88 C ATOM 466 C ALA A 654 1.715 2.857 16.523 1.00 24.03 C ATOM 467 O ALA A 654 1.086 2.184 15.723 1.00 23.43 O ATOM 468 CB ALA A 654 1.121 5.301 16.756 1.00 21.81 C ATOM 469 H ALA A 654 2.067 4.760 19.079 1.00 0.00 H ATOM 470 N PHE A 655 3.009 2.626 16.777 1.00 21.04 N ATOM 471 CA PHE A 655 3.781 1.568 16.089 1.00 19.73 C ATOM 472 C PHE A 655 3.262 0.187 16.550 1.00 23.26 C ATOM 473 O PHE A 655 3.052 -0.705 15.722 1.00 23.88 O ATOM 474 CB PHE A 655 5.268 1.742 16.423 1.00 20.80 C ATOM 475 CG PHE A 655 6.274 1.053 15.522 1.00 22.87 C ATOM 476 CD1 PHE A 655 6.426 1.447 14.194 1.00 26.85 C ATOM 477 CD2 PHE A 655 7.181 0.147 16.043 1.00 24.11 C ATOM 478 CE1 PHE A 655 7.425 0.885 13.385 1.00 27.26 C ATOM 479 CE2 PHE A 655 8.172 -0.422 15.233 1.00 27.47 C ATOM 480 CZ PHE A 655 8.299 -0.030 13.918 1.00 25.85 C ATOM 481 H PHE A 655 3.491 3.214 17.487 1.00 0.00 H ATOM 482 N TYR A 656 3.007 0.014 17.871 1.00 19.70 N ATOM 483 CA TYR A 656 2.429 -1.249 18.395 1.00 19.55 C ATOM 484 C TYR A 656 1.023 -1.512 17.849 1.00 22.09 C ATOM 485 O TYR A 656 0.705 -2.662 17.560 1.00 21.82 O ATOM 486 CB TYR A 656 2.338 -1.270 19.954 1.00 20.07 C ATOM 487 CG TYR A 656 3.654 -0.996 20.645 1.00 20.48 C ATOM 488 CD1 TYR A 656 4.858 -1.421 20.092 1.00 21.97 C ATOM 489 CD2 TYR A 656 3.694 -0.335 21.868 1.00 22.82 C ATOM 490 CE1 TYR A 656 6.080 -1.133 20.710 1.00 24.31 C ATOM 491 CE2 TYR A 656 4.910 -0.027 22.488 1.00 22.35 C ATOM 492 CZ TYR A 656 6.094 -0.442 21.914 1.00 23.22 C ATOM 493 OH TYR A 656 7.292 -0.137 22.524 1.00 28.05 O ATOM 494 HH TYR A 656 8.038 -0.505 21.987 1.00 0.00 H ATOM 495 H TYR A 656 3.222 0.786 18.534 1.00 0.00 H ATOM 496 N GLU A 657 0.192 -0.474 17.732 1.00 20.47 N ATOM 497 CA GLU A 657 -1.173 -0.646 17.197 1.00 21.63 C ATOM 498 C GLU A 657 -1.132 -1.203 15.757 1.00 25.08 C ATOM 499 O GLU A 657 -1.928 -2.076 15.394 1.00 25.42 O ATOM 500 CB GLU A 657 -1.952 0.665 17.265 1.00 23.21 C ATOM 501 CG GLU A 657 -2.314 1.082 18.683 1.00 32.52 C ATOM 502 CD GLU A 657 -2.941 2.458 18.852 1.00 69.59 C ATOM 503 OE1 GLU A 657 -2.699 3.346 18.002 1.00 68.29 O ATOM 504 OE2 GLU A 657 -3.630 2.665 19.879 1.00 75.86 O ATOM 505 H GLU A 657 0.512 0.472 18.023 1.00 0.00 H ATOM 506 N THR A 658 -0.170 -0.736 14.967 1.00 21.78 N ATOM 507 CA THR A 658 0.040 -1.214 13.597 1.00 20.56 C ATOM 508 C THR A 658 0.479 -2.672 13.575 1.00 23.55 C ATOM 509 O THR A 658 -0.070 -3.479 12.812 1.00 20.16 O ATOM 510 CB THR A 658 1.030 -0.299 12.876 1.00 24.50 C ATOM 511 OG1 THR A 658 0.319 0.896 12.578 1.00 25.68 O ATOM 512 CG2 THR A 658 1.571 -0.911 11.584 1.00 25.42 C ATOM 513 HG1 THR A 658 0.919 1.527 12.107 1.00 0.00 H ATOM 514 H THR A 658 0.462 0.002 15.338 1.00 0.00 H ATOM 515 N ALA A 659 1.427 -3.033 14.450 1.00 21.36 N ATOM 516 CA ALA A 659 1.884 -4.414 14.517 1.00 20.96 C ATOM 517 C ALA A 659 0.703 -5.320 14.947 1.00 24.92 C ATOM 518 O ALA A 659 0.566 -6.415 14.428 1.00 25.28 O ATOM 519 CB ALA A 659 3.034 -4.519 15.510 1.00 21.84 C ATOM 520 H ALA A 659 1.840 -2.321 15.086 1.00 0.00 H ATOM 521 N SER A 660 -0.156 -4.855 15.870 1.00 22.71 N ATOM 522 CA SER A 660 -1.296 -5.642 16.338 1.00 22.26 C ATOM 523 C SER A 660 -2.345 -5.811 15.244 1.00 26.18 C ATOM 524 O SER A 660 -2.834 -6.919 15.023 1.00 27.87 O ATOM 525 CB SER A 660 -1.888 -5.046 17.623 1.00 26.21 C ATOM 526 OG SER A 660 -2.293 -3.701 17.478 1.00 40.72 O ATOM 527 HG SER A 660 -1.512 -3.148 17.224 1.00 0.00 H ATOM 528 H SER A 660 -0.005 -3.905 16.264 1.00 0.00 H ATOM 529 N LEU A 661 -2.631 -4.731 14.520 1.00 24.65 N ATOM 530 CA LEU A 661 -3.558 -4.737 13.391 1.00 25.62 C ATOM 531 C LEU A 661 -3.078 -5.773 12.358 1.00 26.60 C ATOM 532 O LEU A 661 -3.840 -6.645 11.964 1.00 26.90 O ATOM 533 CB LEU A 661 -3.575 -3.314 12.770 1.00 26.41 C ATOM 534 CG LEU A 661 -4.081 -3.177 11.326 1.00 34.80 C ATOM 535 CD1 LEU A 661 -5.549 -3.294 11.286 1.00 36.20 C ATOM 536 CD2 LEU A 661 -3.638 -1.850 10.712 1.00 37.91 C ATOM 537 H LEU A 661 -2.169 -3.834 14.772 1.00 0.00 H ATOM 538 N MET A 662 -1.811 -5.680 11.946 1.00 23.45 N ATOM 539 CA MET A 662 -1.246 -6.533 10.907 1.00 22.76 C ATOM 540 C MET A 662 -1.080 -7.983 11.319 1.00 29.52 C ATOM 541 O MET A 662 -1.077 -8.854 10.448 1.00 27.44 O ATOM 542 CB MET A 662 0.064 -5.945 10.378 1.00 24.92 C ATOM 543 CG MET A 662 -0.124 -4.599 9.653 1.00 27.92 C ATOM 544 SD MET A 662 -1.283 -4.621 8.248 1.00 33.00 S ATOM 545 CE MET A 662 -0.301 -5.634 7.036 1.00 29.76 C ATOM 546 H MET A 662 -1.198 -4.965 12.387 1.00 0.00 H ATOM 547 N SER A 663 -0.938 -8.241 12.633 1.00 28.34 N ATOM 548 CA SER A 663 -0.796 -9.597 13.159 1.00 29.29 C ATOM 549 C SER A 663 -2.149 -10.335 13.227 1.00 36.15 C ATOM 550 O SER A 663 -2.154 -11.554 13.278 1.00 37.12 O ATOM 551 CB SER A 663 -0.114 -9.572 14.523 1.00 28.37 C ATOM 552 OG SER A 663 1.174 -9.006 14.334 1.00 31.79 O ATOM 553 HG SER A 663 1.080 -8.089 13.973 1.00 0.00 H ATOM 554 H SER A 663 -0.929 -7.443 13.300 1.00 0.00 H ATOM 555 N GLN A 664 -3.268 -9.608 13.199 1.00 33.91 N ATOM 556 CA GLN A 664 -4.612 -10.184 13.309 1.00 35.24 C ATOM 557 C GLN A 664 -5.338 -10.336 11.970 1.00 37.65 C ATOM 558 O GLN A 664 -6.478 -10.798 11.937 1.00 39.30 O ATOM 559 CB GLN A 664 -5.457 -9.353 14.300 1.00 37.42 C ATOM 560 H GLN A 664 -3.182 -8.577 13.093 1.00 0.00 H ATOM 561 N VAL A 665 -4.679 -9.976 10.865 1.00 28.74 N ATOM 562 CA VAL A 665 -5.273 -10.093 9.542 1.00 27.24 C ATOM 563 C VAL A 665 -4.497 -11.103 8.717 1.00 27.65 C ATOM 564 O VAL A 665 -3.322 -11.326 8.983 1.00 25.55 O ATOM 565 CB VAL A 665 -5.371 -8.717 8.819 1.00 30.64 C ATOM 566 CG1 VAL A 665 -6.327 -7.783 9.551 1.00 30.82 C ATOM 567 CG2 VAL A 665 -3.999 -8.075 8.645 1.00 30.39 C ATOM 568 H VAL A 665 -3.713 -9.601 10.953 1.00 0.00 H ATOM 569 N SER A 666 -5.147 -11.692 7.704 1.00 23.69 N ATOM 570 CA SER A 666 -4.509 -12.633 6.792 1.00 24.07 C ATOM 571 C SER A 666 -5.190 -12.521 5.445 1.00 26.43 C ATOM 572 O SER A 666 -6.390 -12.778 5.338 1.00 24.72 O ATOM 573 CB SER A 666 -4.567 -14.070 7.318 1.00 28.38 C ATOM 574 OG SER A 666 -3.856 -14.898 6.403 1.00 33.11 O ATOM 575 HG SER A 666 -2.917 -14.591 6.344 1.00 0.00 H ATOM 576 H SER A 666 -6.153 -11.467 7.562 1.00 0.00 H ATOM 577 N HIS A 667 -4.429 -12.110 4.406 1.00 22.24 N ATOM 578 CA HIS A 667 -5.002 -11.952 3.066 1.00 21.03 C ATOM 579 C HIS A 667 -3.874 -12.089 2.089 1.00 25.52 C ATOM 580 O HIS A 667 -2.750 -11.655 2.362 1.00 24.96 O ATOM 581 CB HIS A 667 -5.724 -10.602 2.915 1.00 21.18 C ATOM 582 CG HIS A 667 -6.495 -10.440 1.637 1.00 23.44 C ATOM 583 ND1 HIS A 667 -5.891 -9.984 0.478 1.00 24.32 N ATOM 584 CD2 HIS A 667 -7.809 -10.655 1.393 1.00 23.81 C ATOM 585 CE1 HIS A 667 -6.848 -9.956 -0.434 1.00 23.78 C ATOM 586 NE2 HIS A 667 -8.030 -10.325 0.089 1.00 23.37 N ATOM 587 H HIS A 667 -3.422 -11.903 4.560 1.00 0.00 H ATOM 588 N THR A 668 -4.166 -12.669 0.947 1.00 23.35 N ATOM 589 CA THR A 668 -3.117 -12.909 -0.049 1.00 24.61 C ATOM 590 C THR A 668 -2.465 -11.623 -0.562 1.00 24.90 C ATOM 591 O THR A 668 -1.318 -11.685 -1.005 1.00 23.72 O ATOM 592 CB THR A 668 -3.652 -13.786 -1.177 1.00 36.51 C ATOM 593 OG1 THR A 668 -2.544 -14.224 -1.956 1.00 46.47 O ATOM 594 CG2 THR A 668 -4.661 -13.087 -2.016 1.00 32.09 C ATOM 595 HG1 THR A 668 -2.072 -13.437 -2.328 1.00 0.00 H ATOM 596 H THR A 668 -5.145 -12.959 0.749 1.00 0.00 H ATOM 597 N HIS A 669 -3.184 -10.488 -0.519 1.00 21.49 N ATOM 598 CA HIS A 669 -2.642 -9.186 -0.969 1.00 21.68 C ATOM 599 C HIS A 669 -2.274 -8.251 0.202 1.00 23.46 C ATOM 600 O HIS A 669 -2.172 -7.034 0.011 1.00 21.96 O ATOM 601 CB HIS A 669 -3.575 -8.517 -1.995 1.00 21.75 C ATOM 602 CG HIS A 669 -3.627 -9.294 -3.282 1.00 24.26 C ATOM 603 ND1 HIS A 669 -2.486 -9.485 -4.060 1.00 25.24 N ATOM 604 CD2 HIS A 669 -4.660 -9.959 -3.849 1.00 26.18 C ATOM 605 CE1 HIS A 669 -2.867 -10.243 -5.079 1.00 25.41 C ATOM 606 NE2 HIS A 669 -4.161 -10.578 -4.984 1.00 25.82 N ATOM 607 H HIS A 669 -4.158 -10.526 -0.156 1.00 0.00 H ATOM 608 N LEU A 670 -2.018 -8.826 1.391 1.00 19.55 N ATOM 609 CA LEU A 670 -1.528 -8.079 2.557 1.00 19.68 C ATOM 610 C LEU A 670 -0.195 -8.668 2.975 1.00 24.96 C ATOM 611 O LEU A 670 -0.079 -9.894 3.078 1.00 21.89 O ATOM 612 CB LEU A 670 -2.498 -8.101 3.756 1.00 19.99 C ATOM 613 CG LEU A 670 -3.799 -7.289 3.661 1.00 24.29 C ATOM 614 CD1 LEU A 670 -4.666 -7.577 4.893 1.00 25.67 C ATOM 615 CD2 LEU A 670 -3.534 -5.780 3.560 1.00 26.26 C ATOM 616 H LEU A 670 -2.175 -9.849 1.489 1.00 0.00 H ATOM 617 N ALA A 671 0.814 -7.802 3.234 1.00 20.38 N ATOM 618 CA ALA A 671 2.112 -8.275 3.698 1.00 20.56 C ATOM 619 C ALA A 671 2.024 -8.847 5.145 1.00 25.96 C ATOM 620 O ALA A 671 1.244 -8.371 5.968 1.00 27.89 O ATOM 621 CB ALA A 671 3.131 -7.139 3.640 1.00 20.56 C ATOM 622 H ALA A 671 0.660 -6.782 3.099 1.00 0.00 H ATOM 623 N PHE A 672 2.850 -9.842 5.444 1.00 22.89 N ATOM 624 CA PHE A 672 2.871 -10.508 6.748 1.00 23.10 C ATOM 625 C PHE A 672 3.750 -9.752 7.748 1.00 28.26 C ATOM 626 O PHE A 672 4.777 -9.172 7.363 1.00 27.21 O ATOM 627 CB PHE A 672 3.379 -11.964 6.547 1.00 25.21 C ATOM 628 CG PHE A 672 3.325 -12.843 7.781 1.00 28.52 C ATOM 629 CD1 PHE A 672 2.132 -13.428 8.187 1.00 33.12 C ATOM 630 CD2 PHE A 672 4.478 -13.118 8.514 1.00 29.86 C ATOM 631 CE1 PHE A 672 2.086 -14.238 9.336 1.00 34.29 C ATOM 632 CE2 PHE A 672 4.430 -13.941 9.646 1.00 32.46 C ATOM 633 CZ PHE A 672 3.235 -14.491 10.049 1.00 31.40 C ATOM 634 H PHE A 672 3.517 -10.165 4.714 1.00 0.00 H ATOM 635 N VAL A 673 3.367 -9.762 9.037 1.00 24.37 N ATOM 636 CA VAL A 673 4.195 -9.165 10.097 1.00 24.65 C ATOM 637 C VAL A 673 4.637 -10.324 10.995 1.00 28.26 C ATOM 638 O VAL A 673 3.789 -11.080 11.461 1.00 26.17 O ATOM 639 CB VAL A 673 3.493 -8.012 10.870 1.00 29.81 C ATOM 640 CG1 VAL A 673 4.229 -7.672 12.171 1.00 28.98 C ATOM 641 CG2 VAL A 673 3.383 -6.775 9.985 1.00 29.34 C ATOM 642 H VAL A 673 2.461 -10.204 9.292 1.00 0.00 H ATOM 643 N HIS A 674 5.946 -10.533 11.142 1.00 25.59 N ATOM 644 CA HIS A 674 6.495 -11.646 11.938 1.00 25.35 C ATOM 645 C HIS A 674 6.434 -11.334 13.419 1.00 30.74 C ATOM 646 O HIS A 674 6.328 -12.238 14.238 1.00 31.88 O ATOM 647 CB HIS A 674 7.945 -11.960 11.551 1.00 25.74 C ATOM 648 CG HIS A 674 8.105 -12.382 10.122 1.00 30.07 C ATOM 649 ND1 HIS A 674 7.804 -13.671 9.716 1.00 33.32 N ATOM 650 CD2 HIS A 674 8.533 -11.673 9.054 1.00 32.24 C ATOM 651 CE1 HIS A 674 8.051 -13.701 8.416 1.00 32.71 C ATOM 652 NE2 HIS A 674 8.491 -12.519 7.975 1.00 32.83 N ATOM 653 H HIS A 674 6.609 -9.882 10.674 1.00 0.00 H ATOM 654 N GLY A 675 6.541 -10.055 13.753 1.00 26.74 N ATOM 655 CA GLY A 675 6.484 -9.610 15.132 1.00 24.24 C ATOM 656 C GLY A 675 7.246 -8.334 15.395 1.00 26.18 C ATOM 657 O GLY A 675 7.527 -7.566 14.471 1.00 22.78 O ATOM 658 H GLY A 675 6.670 -9.348 13.001 1.00 0.00 H ATOM 659 N VAL A 676 7.468 -8.035 16.686 1.00 21.94 N ATOM 660 CA VAL A 676 8.146 -6.803 17.079 1.00 21.80 C ATOM 661 C VAL A 676 9.230 -7.104 18.127 1.00 26.69 C ATOM 662 O VAL A 676 8.979 -7.854 19.063 1.00 23.68 O ATOM 663 CB VAL A 676 7.158 -5.739 17.634 1.00 25.84 C ATOM 664 CG1 VAL A 676 7.858 -4.400 17.867 1.00 25.85 C ATOM 665 CG2 VAL A 676 5.944 -5.543 16.724 1.00 25.11 C ATOM 666 H VAL A 676 7.149 -8.697 17.423 1.00 0.00 H ATOM 667 N CYS A 677 10.410 -6.490 17.977 1.00 25.83 N ATOM 668 CA CYS A 677 11.477 -6.576 18.981 1.00 26.14 C ATOM 669 C CYS A 677 11.420 -5.297 19.780 1.00 28.22 C ATOM 670 O CYS A 677 11.522 -4.215 19.206 1.00 26.29 O ATOM 671 CB CYS A 677 12.845 -6.772 18.342 1.00 27.04 C ATOM 672 SG CYS A 677 14.192 -6.751 19.554 1.00 31.41 S ATOM 673 H CYS A 677 10.577 -5.931 17.116 1.00 0.00 H ATOM 674 N VAL A 678 11.150 -5.409 21.097 1.00 27.04 N ATOM 675 CA VAL A 678 11.023 -4.251 22.002 1.00 28.26 C ATOM 676 C VAL A 678 11.983 -4.487 23.178 1.00 37.96 C ATOM 677 O VAL A 678 11.826 -5.458 23.938 1.00 37.43 O ATOM 678 CB VAL A 678 9.574 -3.984 22.487 1.00 31.96 C ATOM 679 CG1 VAL A 678 9.510 -2.696 23.289 1.00 32.10 C ATOM 680 CG2 VAL A 678 8.572 -3.932 21.328 1.00 31.19 C ATOM 681 H VAL A 678 11.025 -6.362 21.495 1.00 0.00 H ATOM 682 N ARG A 679 13.001 -3.632 23.284 1.00 37.45 N ATOM 683 CA ARG A 679 14.036 -3.745 24.316 1.00 38.49 C ATOM 684 C ARG A 679 14.637 -2.369 24.596 1.00 42.07 C ATOM 685 O ARG A 679 15.292 -1.788 23.727 1.00 41.25 O ATOM 686 CB ARG A 679 15.133 -4.733 23.878 1.00 40.94 C ATOM 687 H ARG A 679 13.064 -2.849 22.603 1.00 0.00 H ATOM 688 N GLY A 680 14.361 -1.853 25.793 1.00 38.98 N ATOM 689 CA GLY A 680 14.827 -0.544 26.232 1.00 38.67 C ATOM 690 C GLY A 680 14.333 0.576 25.338 1.00 42.94 C ATOM 691 O GLY A 680 13.124 0.804 25.273 1.00 44.09 O ATOM 692 H GLY A 680 13.782 -2.415 26.449 1.00 0.00 H ATOM 693 N PRO A 681 15.233 1.264 24.590 1.00 37.45 N ATOM 694 CA PRO A 681 14.775 2.372 23.729 1.00 36.36 C ATOM 695 C PRO A 681 14.464 1.968 22.281 1.00 37.60 C ATOM 696 O PRO A 681 14.004 2.807 21.502 1.00 36.25 O ATOM 697 CB PRO A 681 15.964 3.349 23.786 1.00 38.00 C ATOM 698 CG PRO A 681 17.165 2.450 23.931 1.00 42.54 C ATOM 699 CD PRO A 681 16.711 1.152 24.577 1.00 38.41 C ATOM 700 N GLU A 682 14.749 0.700 21.925 1.00 33.96 N ATOM 701 CA GLU A 682 14.603 0.120 20.593 1.00 33.50 C ATOM 702 C GLU A 682 13.248 -0.515 20.330 1.00 32.36 C ATOM 703 O GLU A 682 12.696 -1.204 21.188 1.00 30.95 O ATOM 704 CB GLU A 682 15.732 -0.885 20.303 1.00 34.94 C ATOM 705 H GLU A 682 15.108 0.073 22.673 1.00 0.00 H ATOM 706 N ASN A 683 12.724 -0.277 19.120 1.00 25.39 N ATOM 707 CA ASN A 683 11.462 -0.843 18.631 1.00 23.55 C ATOM 708 C ASN A 683 11.687 -1.223 17.187 1.00 25.75 C ATOM 709 O ASN A 683 11.939 -0.342 16.354 1.00 25.69 O ATOM 710 CB ASN A 683 10.331 0.169 18.727 1.00 23.40 C ATOM 711 CG ASN A 683 9.933 0.490 20.141 1.00 31.17 C ATOM 712 OD1 ASN A 683 9.382 -0.350 20.831 1.00 27.25 O ATOM 713 ND2 ASN A 683 10.156 1.712 20.579 1.00 25.90 N ATOM 714 HD22 ASN A 683 10.629 2.406 19.966 1.00 0.00 H ATOM 715 HD21 ASN A 683 9.859 1.983 21.538 1.00 0.00 H ATOM 716 H ASN A 683 13.249 0.354 18.482 1.00 0.00 H ATOM 717 N ILE A 684 11.641 -2.536 16.887 1.00 21.06 N ATOM 718 CA ILE A 684 11.880 -3.029 15.535 1.00 21.58 C ATOM 719 C ILE A 684 10.734 -3.917 15.075 1.00 24.10 C ATOM 720 O ILE A 684 10.549 -4.980 15.643 1.00 24.27 O ATOM 721 CB ILE A 684 13.221 -3.799 15.463 1.00 25.01 C ATOM 722 CG1 ILE A 684 14.386 -2.958 16.087 1.00 26.68 C ATOM 723 CG2 ILE A 684 13.523 -4.197 13.999 1.00 26.56 C ATOM 724 CD1 ILE A 684 15.623 -3.771 16.446 1.00 41.30 C ATOM 725 H ILE A 684 11.429 -3.219 17.642 1.00 0.00 H ATOM 726 N MET A 685 9.978 -3.489 14.043 1.00 19.73 N ATOM 727 CA MET A 685 8.930 -4.358 13.521 1.00 20.77 C ATOM 728 C MET A 685 9.593 -5.227 12.486 1.00 25.18 C ATOM 729 O MET A 685 10.355 -4.699 11.662 1.00 24.86 O ATOM 730 CB MET A 685 7.804 -3.558 12.870 1.00 22.69 C ATOM 731 CG MET A 685 6.528 -4.374 12.752 1.00 27.41 C ATOM 732 SD MET A 685 5.191 -3.373 12.054 1.00 31.53 S ATOM 733 CE MET A 685 5.065 -2.033 13.335 1.00 31.10 C ATOM 734 H MET A 685 10.141 -2.551 13.625 1.00 0.00 H ATOM 735 N VAL A 686 9.304 -6.552 12.515 1.00 21.00 N ATOM 736 CA VAL A 686 9.908 -7.546 11.607 1.00 19.73 C ATOM 737 C VAL A 686 8.817 -7.924 10.627 1.00 24.23 C ATOM 738 O VAL A 686 7.774 -8.457 11.022 1.00 24.12 O ATOM 739 CB VAL A 686 10.442 -8.768 12.412 1.00 23.63 C ATOM 740 CG1 VAL A 686 11.150 -9.766 11.492 1.00 22.93 C ATOM 741 CG2 VAL A 686 11.375 -8.297 13.537 1.00 24.02 C ATOM 742 H VAL A 686 8.616 -6.887 13.219 1.00 0.00 H ATOM 743 N THR A 687 9.011 -7.560 9.353 1.00 21.09 N ATOM 744 CA THR A 687 7.965 -7.724 8.358 1.00 20.08 C ATOM 745 C THR A 687 8.424 -8.514 7.160 1.00 21.90 C ATOM 746 O THR A 687 9.617 -8.796 6.967 1.00 22.19 O ATOM 747 CB THR A 687 7.377 -6.327 7.952 1.00 26.71 C ATOM 748 OG1 THR A 687 8.358 -5.586 7.230 1.00 27.91 O ATOM 749 CG2 THR A 687 6.894 -5.505 9.135 1.00 26.34 C ATOM 750 HG1 THR A 687 8.613 -6.086 6.414 1.00 0.00 H ATOM 751 H THR A 687 9.926 -7.153 9.071 1.00 0.00 H ATOM 752 N GLU A 688 7.458 -8.883 6.332 1.00 19.85 N ATOM 753 CA GLU A 688 7.726 -9.687 5.152 1.00 18.85 C ATOM 754 C GLU A 688 8.612 -8.931 4.144 1.00 21.88 C ATOM 755 O GLU A 688 8.295 -7.798 3.783 1.00 21.26 O ATOM 756 CB GLU A 688 6.381 -9.993 4.470 1.00 18.90 C ATOM 757 CG GLU A 688 6.547 -10.954 3.310 1.00 26.69 C ATOM 758 CD GLU A 688 5.246 -11.335 2.643 1.00 33.40 C ATOM 759 OE1 GLU A 688 4.168 -11.034 3.203 1.00 28.23 O ATOM 760 OE2 GLU A 688 5.303 -11.968 1.570 1.00 28.07 O ATOM 761 H GLU A 688 6.481 -8.589 6.532 1.00 0.00 H ATOM 762 N TYR A 689 9.662 -9.583 3.661 1.00 20.58 N ATOM 763 CA TYR A 689 10.474 -9.069 2.537 1.00 20.53 C ATOM 764 C TYR A 689 9.780 -9.538 1.263 1.00 24.72 C ATOM 765 O TYR A 689 9.616 -10.740 1.062 1.00 23.80 O ATOM 766 CB TYR A 689 11.891 -9.649 2.579 1.00 22.04 C ATOM 767 CG TYR A 689 12.845 -8.995 1.603 1.00 23.94 C ATOM 768 CD1 TYR A 689 12.842 -9.342 0.256 1.00 27.07 C ATOM 769 CD2 TYR A 689 13.811 -8.093 2.040 1.00 24.90 C ATOM 770 CE1 TYR A 689 13.724 -8.746 -0.650 1.00 26.55 C ATOM 771 CE2 TYR A 689 14.706 -7.498 1.142 1.00 25.98 C ATOM 772 CZ TYR A 689 14.677 -7.854 -0.192 1.00 29.59 C ATOM 773 OH TYR A 689 15.595 -7.328 -1.077 1.00 29.78 O ATOM 774 HH TYR A 689 15.425 -7.692 -1.982 1.00 0.00 H ATOM 775 H TYR A 689 9.925 -10.493 4.091 1.00 0.00 H ATOM 776 N VAL A 690 9.360 -8.582 0.400 1.00 20.95 N ATOM 777 CA VAL A 690 8.648 -8.835 -0.852 1.00 20.36 C ATOM 778 C VAL A 690 9.638 -8.600 -2.003 1.00 24.27 C ATOM 779 O VAL A 690 10.285 -7.549 -2.059 1.00 24.78 O ATOM 780 CB VAL A 690 7.386 -7.968 -0.937 1.00 23.25 C ATOM 781 CG1 VAL A 690 6.607 -8.306 -2.204 1.00 22.37 C ATOM 782 CG2 VAL A 690 6.492 -8.180 0.302 1.00 23.14 C ATOM 783 H VAL A 690 9.559 -7.592 0.647 1.00 0.00 H ATOM 784 N GLU A 691 9.835 -9.643 -2.839 1.00 22.99 N ATOM 785 CA GLU A 691 10.886 -9.768 -3.865 1.00 22.31 C ATOM 786 C GLU A 691 11.299 -8.472 -4.570 1.00 25.40 C ATOM 787 O GLU A 691 12.496 -8.148 -4.591 1.00 24.24 O ATOM 788 CB GLU A 691 10.467 -10.836 -4.913 1.00 23.80 C ATOM 789 CG GLU A 691 11.551 -11.259 -5.904 1.00 31.84 C ATOM 790 CD GLU A 691 12.803 -11.907 -5.332 1.00 52.06 C ATOM 791 OE1 GLU A 691 12.756 -12.461 -4.208 1.00 38.82 O ATOM 792 OE2 GLU A 691 13.835 -11.885 -6.035 1.00 50.03 O ATOM 793 H GLU A 691 9.175 -10.442 -2.749 1.00 0.00 H ATOM 794 N HIS A 692 10.336 -7.734 -5.154 1.00 21.77 N ATOM 795 CA HIS A 692 10.688 -6.576 -5.995 1.00 22.67 C ATOM 796 C HIS A 692 10.487 -5.176 -5.383 1.00 24.92 C ATOM 797 O HIS A 692 10.677 -4.183 -6.082 1.00 23.68 O ATOM 798 CB HIS A 692 9.977 -6.674 -7.341 1.00 23.51 C ATOM 799 CG HIS A 692 10.301 -7.967 -8.024 1.00 27.37 C ATOM 800 ND1 HIS A 692 11.526 -8.171 -8.660 1.00 28.71 N ATOM 801 CD2 HIS A 692 9.580 -9.109 -8.098 1.00 29.62 C ATOM 802 CE1 HIS A 692 11.490 -9.408 -9.125 1.00 28.60 C ATOM 803 NE2 HIS A 692 10.358 -10.024 -8.797 1.00 29.29 N ATOM 804 H HIS A 692 9.336 -7.983 -5.011 1.00 0.00 H ATOM 805 N GLY A 693 10.150 -5.117 -4.100 1.00 20.90 N ATOM 806 CA GLY A 693 10.066 -3.868 -3.358 1.00 20.12 C ATOM 807 C GLY A 693 8.908 -2.962 -3.732 1.00 21.89 C ATOM 808 O GLY A 693 7.954 -3.396 -4.390 1.00 20.34 O ATOM 809 H GLY A 693 9.936 -6.005 -3.602 1.00 0.00 H ATOM 810 N PRO A 694 8.996 -1.686 -3.310 1.00 19.33 N ATOM 811 CA PRO A 694 7.888 -0.727 -3.533 1.00 18.85 C ATOM 812 C PRO A 694 7.489 -0.439 -4.967 1.00 20.64 C ATOM 813 O PRO A 694 8.335 -0.295 -5.868 1.00 20.09 O ATOM 814 CB PRO A 694 8.397 0.547 -2.859 1.00 20.75 C ATOM 815 CG PRO A 694 9.316 0.040 -1.799 1.00 24.85 C ATOM 816 CD PRO A 694 10.043 -1.074 -2.470 1.00 21.76 C ATOM 817 N LEU A 695 6.166 -0.363 -5.168 1.00 20.00 N ATOM 818 CA LEU A 695 5.565 -0.132 -6.479 1.00 19.47 C ATOM 819 C LEU A 695 5.952 1.225 -7.071 1.00 22.10 C ATOM 820 O LEU A 695 6.217 1.288 -8.266 1.00 22.09 O ATOM 821 CB LEU A 695 4.018 -0.254 -6.375 1.00 18.96 C ATOM 822 CG LEU A 695 3.202 0.009 -7.669 1.00 23.75 C ATOM 823 CD1 LEU A 695 3.584 -0.938 -8.788 1.00 25.15 C ATOM 824 CD2 LEU A 695 1.705 -0.033 -7.398 1.00 25.84 C ATOM 825 H LEU A 695 5.535 -0.474 -4.349 1.00 0.00 H ATOM 826 N ASP A 696 5.924 2.308 -6.265 1.00 20.92 N ATOM 827 CA ASP A 696 6.234 3.680 -6.781 1.00 22.38 C ATOM 828 C ASP A 696 7.640 3.724 -7.431 1.00 24.28 C ATOM 829 O ASP A 696 7.792 4.270 -8.529 1.00 23.19 O ATOM 830 CB ASP A 696 6.083 4.741 -5.678 1.00 23.23 C ATOM 831 CG ASP A 696 7.166 4.695 -4.626 1.00 29.74 C ATOM 832 OD1 ASP A 696 7.428 3.587 -4.082 1.00 25.49 O ATOM 833 OD2 ASP A 696 7.723 5.764 -4.307 1.00 36.40 O ATOM 834 H ASP A 696 5.681 2.187 -5.261 1.00 0.00 H ATOM 835 N VAL A 697 8.640 3.150 -6.752 1.00 22.58 N ATOM 836 CA VAL A 697 10.046 3.078 -7.200 1.00 23.57 C ATOM 837 C VAL A 697 10.125 2.298 -8.522 1.00 26.19 C ATOM 838 O VAL A 697 10.777 2.729 -9.478 1.00 25.97 O ATOM 839 CB VAL A 697 10.945 2.433 -6.095 1.00 27.20 C ATOM 840 CG1 VAL A 697 12.386 2.261 -6.586 1.00 28.00 C ATOM 841 CG2 VAL A 697 10.927 3.275 -4.811 1.00 27.22 C ATOM 842 H VAL A 697 8.409 2.719 -5.834 1.00 0.00 H ATOM 843 N TRP A 698 9.443 1.154 -8.574 1.00 24.00 N ATOM 844 CA TRP A 698 9.450 0.311 -9.759 1.00 25.60 C ATOM 845 C TRP A 698 8.793 1.023 -10.955 1.00 27.03 C ATOM 846 O TRP A 698 9.356 1.026 -12.070 1.00 26.03 O ATOM 847 CB TRP A 698 8.729 -0.997 -9.465 1.00 26.37 C ATOM 848 CG TRP A 698 8.898 -1.976 -10.567 1.00 28.74 C ATOM 849 CD1 TRP A 698 9.983 -2.789 -10.791 1.00 31.66 C ATOM 850 CD2 TRP A 698 8.007 -2.177 -11.663 1.00 28.86 C ATOM 851 NE1 TRP A 698 9.805 -3.495 -11.953 1.00 31.09 N ATOM 852 CE2 TRP A 698 8.588 -3.160 -12.498 1.00 32.74 C ATOM 853 CE3 TRP A 698 6.750 -1.647 -12.003 1.00 30.84 C ATOM 854 CZ2 TRP A 698 7.941 -3.642 -13.639 1.00 33.09 C ATOM 855 CZ3 TRP A 698 6.143 -2.073 -13.174 1.00 32.85 C ATOM 856 CH2 TRP A 698 6.726 -3.072 -13.970 1.00 33.50 C ATOM 857 HE1 TRP A 698 10.481 -4.174 -12.357 1.00 0.00 H ATOM 858 H TRP A 698 8.891 0.856 -7.745 1.00 0.00 H ATOM 859 N LEU A 699 7.608 1.614 -10.728 1.00 20.74 N ATOM 860 CA LEU A 699 6.879 2.348 -11.784 1.00 20.76 C ATOM 861 C LEU A 699 7.736 3.463 -12.389 1.00 24.25 C ATOM 862 O LEU A 699 7.750 3.623 -13.610 1.00 25.10 O ATOM 863 CB LEU A 699 5.586 2.954 -11.224 1.00 20.94 C ATOM 864 CG LEU A 699 4.425 1.996 -11.029 1.00 25.26 C ATOM 865 CD1 LEU A 699 3.259 2.699 -10.348 1.00 25.16 C ATOM 866 CD2 LEU A 699 4.013 1.327 -12.359 1.00 23.99 C ATOM 867 H LEU A 699 7.190 1.553 -9.778 1.00 0.00 H ATOM 868 N ARG A 700 8.472 4.216 -11.544 1.00 22.23 N ATOM 869 CA ARG A 700 9.337 5.292 -12.040 1.00 23.78 C ATOM 870 C ARG A 700 10.469 4.761 -12.911 1.00 29.87 C ATOM 871 O ARG A 700 10.741 5.348 -13.950 1.00 29.56 O ATOM 872 CB ARG A 700 9.850 6.180 -10.916 1.00 25.85 C ATOM 873 CG ARG A 700 8.763 7.129 -10.392 1.00 28.07 C ATOM 874 CD ARG A 700 9.295 8.175 -9.420 1.00 32.95 C ATOM 875 NE ARG A 700 9.801 7.608 -8.172 1.00 39.41 N ATOM 876 CZ ARG A 700 9.083 7.457 -7.064 1.00 58.40 C ATOM 877 NH1 ARG A 700 7.803 7.804 -7.042 1.00 44.18 N ATOM 878 NH2 ARG A 700 9.634 6.916 -5.977 1.00 34.69 N ATOM 879 HE ARG A 700 10.794 7.301 -8.149 1.00 0.00 H ATOM 880 HH12 ARG A 700 7.246 7.683 -6.172 1.00 0.00 H ATOM 881 HH11 ARG A 700 7.356 8.197 -7.895 1.00 0.00 H ATOM 882 HH22 ARG A 700 9.070 6.799 -5.111 1.00 0.00 H ATOM 883 HH21 ARG A 700 10.628 6.611 -5.995 1.00 0.00 H ATOM 884 H ARG A 700 8.425 4.030 -10.522 1.00 0.00 H ATOM 885 N ARG A 701 11.076 3.619 -12.542 1.00 27.17 N ATOM 886 CA ARG A 701 12.140 2.956 -13.323 1.00 26.74 C ATOM 887 C ARG A 701 11.584 2.444 -14.679 1.00 29.13 C ATOM 888 O ARG A 701 12.270 2.515 -15.702 1.00 28.08 O ATOM 889 CB ARG A 701 12.716 1.783 -12.486 1.00 26.07 C ATOM 890 CG ARG A 701 13.863 1.017 -13.120 1.00 40.24 C ATOM 891 CD ARG A 701 14.355 -0.077 -12.176 1.00 47.73 C ATOM 892 H ARG A 701 10.777 3.175 -11.650 1.00 0.00 H ATOM 893 N GLU A 702 10.343 1.927 -14.688 1.00 24.04 N ATOM 894 CA GLU A 702 9.686 1.396 -15.901 1.00 23.52 C ATOM 895 C GLU A 702 8.780 2.406 -16.626 1.00 27.16 C ATOM 896 O GLU A 702 8.012 2.013 -17.503 1.00 25.30 O ATOM 897 CB GLU A 702 8.883 0.132 -15.547 1.00 25.19 C ATOM 898 CG GLU A 702 9.773 -1.065 -15.219 1.00 36.79 C ATOM 899 CD GLU A 702 10.506 -1.676 -16.401 1.00 49.30 C ATOM 900 OE1 GLU A 702 9.849 -1.974 -17.427 1.00 33.38 O ATOM 901 OE2 GLU A 702 11.733 -1.888 -16.283 1.00 56.32 O ATOM 902 H GLU A 702 9.816 1.899 -13.792 1.00 0.00 H ATOM 903 N ARG A 703 8.877 3.704 -16.282 1.00 26.05 N ATOM 904 CA ARG A 703 8.017 4.760 -16.861 1.00 25.93 C ATOM 905 C ARG A 703 7.949 4.710 -18.374 1.00 29.33 C ATOM 906 O ARG A 703 8.990 4.574 -19.017 1.00 27.71 O ATOM 907 CB ARG A 703 8.417 6.167 -16.366 1.00 30.10 C ATOM 908 CG ARG A 703 9.832 6.639 -16.687 1.00 31.80 C ATOM 909 H ARG A 703 9.590 3.977 -15.576 1.00 0.00 H ATOM 910 N GLY A 704 6.727 4.711 -18.913 1.00 26.51 N ATOM 911 CA GLY A 704 6.479 4.655 -20.355 1.00 27.00 C ATOM 912 C GLY A 704 6.345 3.255 -20.920 1.00 32.00 C ATOM 913 O GLY A 704 5.974 3.099 -22.091 1.00 31.83 O ATOM 914 H GLY A 704 5.907 4.754 -18.274 1.00 0.00 H ATOM 915 N HIS A 705 6.656 2.219 -20.098 1.00 28.41 N ATOM 916 CA HIS A 705 6.629 0.818 -20.535 1.00 28.10 C ATOM 917 C HIS A 705 5.709 -0.052 -19.692 1.00 29.88 C ATOM 918 O HIS A 705 5.809 -1.277 -19.759 1.00 28.92 O ATOM 919 CB HIS A 705 8.076 0.254 -20.584 1.00 28.95 C ATOM 920 CG HIS A 705 8.996 1.092 -21.415 1.00 31.98 C ATOM 921 ND1 HIS A 705 8.925 1.085 -22.801 1.00 34.29 N ATOM 922 CD2 HIS A 705 9.952 1.969 -21.031 1.00 33.91 C ATOM 923 CE1 HIS A 705 9.817 1.973 -23.211 1.00 33.71 C ATOM 924 NE2 HIS A 705 10.477 2.515 -22.187 1.00 34.09 N ATOM 925 H HIS A 705 6.925 2.428 -19.115 1.00 0.00 H ATOM 926 N VAL A 706 4.802 0.562 -18.897 1.00 22.94 N ATOM 927 CA VAL A 706 3.878 -0.205 -18.064 1.00 23.20 C ATOM 928 C VAL A 706 2.487 -0.186 -18.736 1.00 29.01 C ATOM 929 O VAL A 706 1.866 0.885 -18.754 1.00 29.11 O ATOM 930 CB VAL A 706 3.783 0.340 -16.601 1.00 26.21 C ATOM 931 CG1 VAL A 706 2.839 -0.529 -15.762 1.00 25.83 C ATOM 932 CG2 VAL A 706 5.148 0.436 -15.941 1.00 25.76 C ATOM 933 H VAL A 706 4.762 1.601 -18.878 1.00 0.00 H ATOM 934 N PRO A 707 1.971 -1.338 -19.240 1.00 25.26 N ATOM 935 CA PRO A 707 0.671 -1.332 -19.928 1.00 25.70 C ATOM 936 C PRO A 707 -0.510 -1.007 -19.039 1.00 28.61 C ATOM 937 O PRO A 707 -0.475 -1.276 -17.834 1.00 23.94 O ATOM 938 CB PRO A 707 0.527 -2.782 -20.432 1.00 28.26 C ATOM 939 CG PRO A 707 1.869 -3.366 -20.399 1.00 33.79 C ATOM 940 CD PRO A 707 2.587 -2.679 -19.282 1.00 29.38 C ATOM 941 N MET A 708 -1.600 -0.525 -19.650 1.00 27.54 N ATOM 942 CA MET A 708 -2.845 -0.218 -18.941 1.00 29.43 C ATOM 943 C MET A 708 -3.454 -1.450 -18.254 1.00 31.89 C ATOM 944 O MET A 708 -3.959 -1.333 -17.138 1.00 29.32 O ATOM 945 CB MET A 708 -3.859 0.372 -19.942 1.00 34.20 C ATOM 946 CG MET A 708 -4.917 1.211 -19.315 1.00 42.01 C ATOM 947 SD MET A 708 -4.123 2.422 -18.255 1.00 49.93 S ATOM 948 CE MET A 708 -3.414 3.561 -19.490 1.00 47.27 C ATOM 949 H MET A 708 -1.561 -0.361 -20.676 1.00 0.00 H ATOM 950 N ALA A 709 -3.414 -2.630 -18.915 1.00 28.34 N ATOM 951 CA ALA A 709 -3.969 -3.865 -18.372 1.00 27.68 C ATOM 952 C ALA A 709 -3.237 -4.286 -17.105 1.00 29.12 C ATOM 953 O ALA A 709 -3.868 -4.787 -16.184 1.00 28.35 O ATOM 954 CB ALA A 709 -3.926 -4.981 -19.413 1.00 28.93 C ATOM 955 H ALA A 709 -2.967 -2.658 -19.854 1.00 0.00 H ATOM 956 N TRP A 710 -1.916 -4.041 -17.045 1.00 25.31 N ATOM 957 CA TRP A 710 -1.083 -4.334 -15.872 1.00 24.89 C ATOM 958 C TRP A 710 -1.580 -3.471 -14.662 1.00 26.31 C ATOM 959 O TRP A 710 -1.774 -3.980 -13.549 1.00 25.29 O ATOM 960 CB TRP A 710 0.367 -4.006 -16.236 1.00 23.26 C ATOM 961 CG TRP A 710 1.385 -4.432 -15.249 1.00 24.56 C ATOM 962 CD1 TRP A 710 2.200 -5.523 -15.347 1.00 27.62 C ATOM 963 CD2 TRP A 710 1.808 -3.712 -14.076 1.00 23.84 C ATOM 964 NE1 TRP A 710 3.100 -5.530 -14.313 1.00 26.78 N ATOM 965 CE2 TRP A 710 2.865 -4.446 -13.500 1.00 27.70 C ATOM 966 CE3 TRP A 710 1.349 -2.557 -13.417 1.00 24.20 C ATOM 967 CZ2 TRP A 710 3.488 -4.052 -12.313 1.00 26.55 C ATOM 968 CZ3 TRP A 710 2.002 -2.135 -12.265 1.00 25.81 C ATOM 969 CH2 TRP A 710 3.052 -2.891 -11.717 1.00 26.39 C ATOM 970 HE1 TRP A 710 3.843 -6.243 -14.166 1.00 0.00 H ATOM 971 H TRP A 710 -1.458 -3.619 -17.878 1.00 0.00 H ATOM 972 N LYS A 711 -1.804 -2.188 -14.899 1.00 22.15 N ATOM 973 CA LYS A 711 -2.301 -1.232 -13.892 1.00 22.66 C ATOM 974 C LYS A 711 -3.673 -1.615 -13.363 1.00 26.45 C ATOM 975 O LYS A 711 -3.916 -1.493 -12.160 1.00 24.51 O ATOM 976 CB LYS A 711 -2.319 0.192 -14.470 1.00 23.92 C ATOM 977 CG LYS A 711 -0.921 0.696 -14.794 1.00 24.88 C ATOM 978 CD LYS A 711 -0.962 2.028 -15.503 1.00 25.75 C ATOM 979 CE LYS A 711 0.454 2.505 -15.702 1.00 27.98 C ATOM 980 NZ LYS A 711 0.478 3.833 -16.365 1.00 28.54 N ATOM 981 HZ1 LYS A 711 0.014 3.764 -17.293 1.00 0.00 H ATOM 982 HZ2 LYS A 711 -0.028 4.523 -15.774 1.00 0.00 H ATOM 983 HZ3 LYS A 711 1.464 4.139 -16.490 1.00 0.00 H ATOM 984 H LYS A 711 -1.617 -1.831 -15.858 1.00 0.00 H ATOM 985 N MET A 712 -4.570 -2.098 -14.254 1.00 24.16 N ATOM 986 CA MET A 712 -5.904 -2.564 -13.852 1.00 24.09 C ATOM 987 C MET A 712 -5.855 -3.757 -12.894 1.00 25.62 C ATOM 988 O MET A 712 -6.660 -3.827 -11.971 1.00 24.77 O ATOM 989 CB MET A 712 -6.777 -2.901 -15.079 1.00 26.92 C ATOM 990 CG MET A 712 -7.040 -1.696 -15.996 1.00 30.78 C ATOM 991 SD MET A 712 -7.751 -0.254 -15.136 1.00 34.61 S ATOM 992 CE MET A 712 -9.376 -0.966 -14.653 1.00 31.55 C ATOM 993 H MET A 712 -4.306 -2.141 -15.259 1.00 0.00 H ATOM 994 N VAL A 713 -4.939 -4.705 -13.132 1.00 21.56 N ATOM 995 CA VAL A 713 -4.747 -5.868 -12.258 1.00 23.04 C ATOM 996 C VAL A 713 -4.332 -5.360 -10.868 1.00 27.20 C ATOM 997 O VAL A 713 -4.892 -5.811 -9.873 1.00 27.45 O ATOM 998 CB VAL A 713 -3.654 -6.832 -12.821 1.00 27.38 C ATOM 999 CG1 VAL A 713 -3.292 -7.928 -11.811 1.00 27.00 C ATOM 1000 CG2 VAL A 713 -4.078 -7.442 -14.162 1.00 27.11 C ATOM 1001 H VAL A 713 -4.336 -4.613 -13.975 1.00 0.00 H ATOM 1002 N VAL A 714 -3.330 -4.450 -10.804 1.00 23.19 N ATOM 1003 CA VAL A 714 -2.839 -3.915 -9.509 1.00 22.33 C ATOM 1004 C VAL A 714 -3.990 -3.234 -8.743 1.00 23.79 C ATOM 1005 O VAL A 714 -4.162 -3.464 -7.546 1.00 21.73 O ATOM 1006 CB VAL A 714 -1.588 -3.011 -9.684 1.00 25.22 C ATOM 1007 CG1 VAL A 714 -1.222 -2.281 -8.372 1.00 25.36 C ATOM 1008 CG2 VAL A 714 -0.395 -3.838 -10.180 1.00 24.36 C ATOM 1009 H VAL A 714 -2.893 -4.117 -11.687 1.00 0.00 H ATOM 1010 N ALA A 715 -4.793 -2.442 -9.458 1.00 22.52 N ATOM 1011 CA ALA A 715 -5.944 -1.741 -8.884 1.00 22.57 C ATOM 1012 C ALA A 715 -6.934 -2.702 -8.229 1.00 26.07 C ATOM 1013 O ALA A 715 -7.371 -2.467 -7.084 1.00 24.60 O ATOM 1014 CB ALA A 715 -6.628 -0.923 -9.968 1.00 23.41 C ATOM 1015 H ALA A 715 -4.592 -2.317 -10.471 1.00 0.00 H ATOM 1016 N GLN A 716 -7.235 -3.821 -8.911 1.00 21.84 N ATOM 1017 CA GLN A 716 -8.180 -4.813 -8.394 1.00 22.50 C ATOM 1018 C GLN A 716 -7.629 -5.555 -7.197 1.00 23.94 C ATOM 1019 O GLN A 716 -8.368 -5.823 -6.269 1.00 22.60 O ATOM 1020 CB GLN A 716 -8.620 -5.810 -9.496 1.00 24.68 C ATOM 1021 CG GLN A 716 -10.053 -6.255 -9.256 1.00 40.43 C ATOM 1022 CD GLN A 716 -10.654 -7.035 -10.395 1.00 52.07 C ATOM 1023 OE1 GLN A 716 -10.837 -6.540 -11.529 1.00 38.74 O ATOM 1024 NE2 GLN A 716 -11.064 -8.243 -10.072 1.00 37.97 N ATOM 1025 HE22 GLN A 716 -10.889 -8.613 -9.116 1.00 0.00 H ATOM 1026 HE21 GLN A 716 -11.563 -8.828 -10.773 1.00 0.00 H ATOM 1027 H GLN A 716 -6.783 -3.987 -9.833 1.00 0.00 H ATOM 1028 N GLN A 717 -6.342 -5.908 -7.215 1.00 20.25 N ATOM 1029 CA GLN A 717 -5.707 -6.589 -6.090 1.00 18.63 C ATOM 1030 C GLN A 717 -5.697 -5.690 -4.864 1.00 21.67 C ATOM 1031 O GLN A 717 -5.914 -6.154 -3.731 1.00 22.72 O ATOM 1032 CB GLN A 717 -4.260 -6.999 -6.483 1.00 19.23 C ATOM 1033 CG GLN A 717 -4.265 -8.130 -7.543 1.00 22.41 C ATOM 1034 CD GLN A 717 -2.878 -8.596 -7.923 1.00 29.16 C ATOM 1035 OE1 GLN A 717 -1.866 -8.093 -7.419 1.00 25.65 O ATOM 1036 NE2 GLN A 717 -2.803 -9.624 -8.781 1.00 22.23 N ATOM 1037 HE22 GLN A 717 -3.671 -10.026 -9.188 1.00 0.00 H ATOM 1038 HE21 GLN A 717 -1.876 -10.019 -9.039 1.00 0.00 H ATOM 1039 H GLN A 717 -5.773 -5.691 -8.058 1.00 0.00 H ATOM 1040 N LEU A 718 -5.436 -4.411 -5.081 1.00 18.87 N ATOM 1041 CA LEU A 718 -5.407 -3.453 -3.985 1.00 18.79 C ATOM 1042 C LEU A 718 -6.821 -3.264 -3.425 1.00 21.40 C ATOM 1043 O LEU A 718 -6.973 -3.269 -2.200 1.00 18.96 O ATOM 1044 CB LEU A 718 -4.822 -2.114 -4.472 1.00 18.77 C ATOM 1045 CG LEU A 718 -4.791 -0.979 -3.402 1.00 21.55 C ATOM 1046 CD1 LEU A 718 -3.984 -1.399 -2.149 1.00 21.92 C ATOM 1047 CD2 LEU A 718 -4.272 0.322 -4.028 1.00 19.85 C ATOM 1048 H LEU A 718 -5.248 -4.085 -6.051 1.00 0.00 H ATOM 1049 N ALA A 719 -7.855 -3.162 -4.310 1.00 18.45 N ATOM 1050 CA ALA A 719 -9.240 -3.075 -3.840 1.00 19.46 C ATOM 1051 C ALA A 719 -9.643 -4.333 -3.046 1.00 23.06 C ATOM 1052 O ALA A 719 -10.402 -4.222 -2.079 1.00 21.72 O ATOM 1053 CB ALA A 719 -10.195 -2.845 -5.001 1.00 20.54 C ATOM 1054 H ALA A 719 -7.657 -3.146 -5.331 1.00 0.00 H ATOM 1055 N SER A 720 -9.154 -5.523 -3.449 1.00 21.06 N ATOM 1056 CA SER A 720 -9.485 -6.763 -2.713 1.00 20.04 C ATOM 1057 C SER A 720 -8.915 -6.754 -1.315 1.00 23.08 C ATOM 1058 O SER A 720 -9.634 -7.099 -0.390 1.00 22.10 O ATOM 1059 CB SER A 720 -9.084 -8.009 -3.501 1.00 23.00 C ATOM 1060 OG SER A 720 -7.685 -8.220 -3.457 1.00 26.83 O ATOM 1061 HG SER A 720 -7.222 -7.437 -3.849 1.00 0.00 H ATOM 1062 H SER A 720 -8.538 -5.570 -4.286 1.00 0.00 H ATOM 1063 N ALA A 721 -7.653 -6.282 -1.137 1.00 19.11 N ATOM 1064 CA ALA A 721 -7.035 -6.173 0.194 1.00 18.91 C ATOM 1065 C ALA A 721 -7.837 -5.173 1.062 1.00 21.99 C ATOM 1066 O ALA A 721 -8.138 -5.444 2.226 1.00 21.45 O ATOM 1067 CB ALA A 721 -5.578 -5.696 0.059 1.00 18.43 C ATOM 1068 H ALA A 721 -7.105 -5.988 -1.970 1.00 0.00 H ATOM 1069 N LEU A 722 -8.215 -4.047 0.478 1.00 19.73 N ATOM 1070 CA LEU A 722 -8.942 -3.007 1.213 1.00 18.43 C ATOM 1071 C LEU A 722 -10.391 -3.400 1.499 1.00 22.96 C ATOM 1072 O LEU A 722 -10.919 -3.026 2.549 1.00 23.63 O ATOM 1073 CB LEU A 722 -8.826 -1.650 0.501 1.00 17.83 C ATOM 1074 CG LEU A 722 -7.388 -1.073 0.546 1.00 21.22 C ATOM 1075 CD1 LEU A 722 -7.200 0.021 -0.454 1.00 20.44 C ATOM 1076 CD2 LEU A 722 -7.032 -0.591 1.969 1.00 25.56 C ATOM 1077 H LEU A 722 -7.991 -3.896 -0.526 1.00 0.00 H ATOM 1078 N SER A 723 -10.994 -4.225 0.633 1.00 20.03 N ATOM 1079 CA SER A 723 -12.368 -4.740 0.882 1.00 19.35 C ATOM 1080 C SER A 723 -12.338 -5.709 2.083 1.00 22.40 C ATOM 1081 O SER A 723 -13.215 -5.686 2.944 1.00 24.44 O ATOM 1082 CB SER A 723 -12.901 -5.461 -0.345 1.00 22.49 C ATOM 1083 OG SER A 723 -14.202 -5.931 -0.027 1.00 24.29 O ATOM 1084 HG SER A 723 -14.580 -6.408 -0.808 1.00 0.00 H ATOM 1085 H SER A 723 -10.492 -4.512 -0.231 1.00 0.00 H ATOM 1086 N TYR A 724 -11.299 -6.533 2.146 1.00 21.59 N ATOM 1087 CA TYR A 724 -11.082 -7.442 3.271 1.00 21.90 C ATOM 1088 C TYR A 724 -10.980 -6.654 4.596 1.00 26.20 C ATOM 1089 O TYR A 724 -11.631 -7.018 5.592 1.00 23.56 O ATOM 1090 CB TYR A 724 -9.833 -8.276 2.991 1.00 21.36 C ATOM 1091 CG TYR A 724 -9.348 -9.048 4.181 1.00 24.52 C ATOM 1092 CD1 TYR A 724 -9.893 -10.294 4.500 1.00 25.82 C ATOM 1093 CD2 TYR A 724 -8.337 -8.545 4.995 1.00 25.28 C ATOM 1094 CE1 TYR A 724 -9.469 -10.997 5.633 1.00 28.48 C ATOM 1095 CE2 TYR A 724 -7.944 -9.213 6.150 1.00 26.17 C ATOM 1096 CZ TYR A 724 -8.489 -10.452 6.448 1.00 33.80 C ATOM 1097 OH TYR A 724 -8.028 -11.141 7.542 1.00 28.89 O ATOM 1098 HH TYR A 724 -8.514 -12.000 7.618 1.00 0.00 H ATOM 1099 H TYR A 724 -10.612 -6.532 1.365 1.00 0.00 H ATOM 1100 N LEU A 725 -10.161 -5.577 4.617 1.00 22.81 N ATOM 1101 CA LEU A 725 -10.012 -4.746 5.826 1.00 21.36 C ATOM 1102 C LEU A 725 -11.346 -4.039 6.183 1.00 26.51 C ATOM 1103 O LEU A 725 -11.744 -4.015 7.348 1.00 26.44 O ATOM 1104 CB LEU A 725 -8.889 -3.696 5.628 1.00 21.01 C ATOM 1105 CG LEU A 725 -7.476 -4.301 5.532 1.00 24.37 C ATOM 1106 CD1 LEU A 725 -6.421 -3.208 5.208 1.00 23.91 C ATOM 1107 CD2 LEU A 725 -7.109 -5.058 6.824 1.00 23.69 C ATOM 1108 H LEU A 725 -9.624 -5.330 3.761 1.00 0.00 H ATOM 1109 N GLU A 726 -12.035 -3.492 5.175 1.00 23.28 N ATOM 1110 CA GLU A 726 -13.310 -2.816 5.382 1.00 24.50 C ATOM 1111 C GLU A 726 -14.323 -3.758 6.051 1.00 29.17 C ATOM 1112 O GLU A 726 -15.006 -3.337 6.994 1.00 29.49 O ATOM 1113 CB GLU A 726 -13.839 -2.260 4.056 1.00 26.18 C ATOM 1114 CG GLU A 726 -15.243 -1.710 4.149 1.00 32.20 C ATOM 1115 CD GLU A 726 -15.757 -1.257 2.807 1.00 29.99 C ATOM 1116 OE1 GLU A 726 -16.190 -2.117 2.004 1.00 28.43 O ATOM 1117 OE2 GLU A 726 -15.718 -0.036 2.557 1.00 27.48 O ATOM 1118 H GLU A 726 -11.648 -3.551 4.211 1.00 0.00 H ATOM 1119 N ASN A 727 -14.395 -5.019 5.597 1.00 25.01 N ATOM 1120 CA ASN A 727 -15.321 -6.009 6.174 1.00 25.75 C ATOM 1121 C ASN A 727 -15.028 -6.327 7.643 1.00 32.44 C ATOM 1122 O ASN A 727 -15.941 -6.691 8.371 1.00 32.52 O ATOM 1123 CB ASN A 727 -15.374 -7.271 5.338 1.00 25.94 C ATOM 1124 CG ASN A 727 -16.122 -7.047 4.039 1.00 37.67 C ATOM 1125 OD1 ASN A 727 -16.770 -6.021 3.832 1.00 30.29 O ATOM 1126 ND2 ASN A 727 -16.030 -7.974 3.132 1.00 30.72 N ATOM 1127 HD22 ASN A 727 -15.479 -8.835 3.322 1.00 0.00 H ATOM 1128 HD21 ASN A 727 -16.508 -7.855 2.216 1.00 0.00 H ATOM 1129 H ASN A 727 -13.777 -5.307 4.812 1.00 0.00 H ATOM 1130 N LYS A 728 -13.774 -6.133 8.083 1.00 29.53 N ATOM 1131 CA LYS A 728 -13.376 -6.361 9.473 1.00 28.84 C ATOM 1132 C LYS A 728 -13.383 -5.042 10.249 1.00 32.89 C ATOM 1133 O LYS A 728 -12.957 -5.008 11.417 1.00 32.12 O ATOM 1134 CB LYS A 728 -11.994 -7.051 9.517 1.00 30.89 C ATOM 1135 CG LYS A 728 -11.993 -8.481 8.970 1.00 39.98 C ATOM 1136 CD LYS A 728 -10.695 -9.222 9.248 1.00 46.46 C ATOM 1137 H LYS A 728 -13.054 -5.807 7.407 1.00 0.00 H ATOM 1138 N ASN A 729 -13.889 -3.941 9.605 1.00 28.86 N ATOM 1139 CA ASN A 729 -13.947 -2.580 10.164 1.00 29.18 C ATOM 1140 C ASN A 729 -12.557 -2.086 10.605 1.00 32.63 C ATOM 1141 O ASN A 729 -12.404 -1.493 11.687 1.00 31.25 O ATOM 1142 CB ASN A 729 -14.978 -2.487 11.336 1.00 34.02 C ATOM 1143 H ASN A 729 -14.262 -4.079 8.644 1.00 0.00 H ATOM 1144 N LEU A 730 -11.544 -2.333 9.759 1.00 26.66 N ATOM 1145 CA LEU A 730 -10.156 -1.947 10.021 1.00 26.38 C ATOM 1146 C LEU A 730 -9.682 -0.885 9.050 1.00 32.18 C ATOM 1147 O LEU A 730 -9.987 -0.950 7.861 1.00 33.67 O ATOM 1148 CB LEU A 730 -9.226 -3.172 9.989 1.00 25.86 C ATOM 1149 CG LEU A 730 -9.508 -4.229 11.078 1.00 29.77 C ATOM 1150 CD1 LEU A 730 -8.804 -5.515 10.779 1.00 27.99 C ATOM 1151 CD2 LEU A 730 -9.158 -3.701 12.507 1.00 31.70 C ATOM 1152 H LEU A 730 -11.757 -2.826 8.868 1.00 0.00 H ATOM 1153 N VAL A 731 -8.999 0.122 9.573 1.00 26.33 N ATOM 1154 CA VAL A 731 -8.491 1.256 8.803 1.00 27.52 C ATOM 1155 C VAL A 731 -6.963 1.096 8.644 1.00 29.01 C ATOM 1156 O VAL A 731 -6.278 0.721 9.589 1.00 27.44 O ATOM 1157 CB VAL A 731 -8.885 2.623 9.415 1.00 33.10 C ATOM 1158 CG1 VAL A 731 -8.426 3.759 8.532 1.00 34.19 C ATOM 1159 CG2 VAL A 731 -10.401 2.723 9.613 1.00 32.91 C ATOM 1160 H VAL A 731 -8.812 0.105 10.596 1.00 0.00 H ATOM 1161 N HIS A 732 -6.457 1.355 7.438 1.00 25.45 N ATOM 1162 CA HIS A 732 -5.026 1.222 7.153 1.00 22.48 C ATOM 1163 C HIS A 732 -4.416 2.597 7.427 1.00 26.80 C ATOM 1164 O HIS A 732 -3.540 2.715 8.269 1.00 27.10 O ATOM 1165 CB HIS A 732 -4.830 0.721 5.707 1.00 21.92 C ATOM 1166 CG HIS A 732 -3.403 0.492 5.324 1.00 22.08 C ATOM 1167 ND1 HIS A 732 -2.589 1.541 4.963 1.00 22.59 N ATOM 1168 CD2 HIS A 732 -2.697 -0.662 5.265 1.00 22.16 C ATOM 1169 CE1 HIS A 732 -1.406 1.007 4.698 1.00 21.08 C ATOM 1170 NE2 HIS A 732 -1.426 -0.323 4.861 1.00 21.73 N ATOM 1171 H HIS A 732 -7.097 1.660 6.677 1.00 0.00 H ATOM 1172 N GLY A 733 -4.903 3.624 6.751 1.00 23.32 N ATOM 1173 CA GLY A 733 -4.459 4.999 6.962 1.00 23.78 C ATOM 1174 C GLY A 733 -3.183 5.415 6.270 1.00 25.64 C ATOM 1175 O GLY A 733 -2.749 6.561 6.437 1.00 25.35 O ATOM 1176 H GLY A 733 -5.636 3.444 6.036 1.00 0.00 H ATOM 1177 N ASN A 734 -2.550 4.496 5.477 1.00 19.05 N ATOM 1178 CA ASN A 734 -1.308 4.890 4.796 1.00 18.77 C ATOM 1179 C ASN A 734 -1.218 4.236 3.411 1.00 22.59 C ATOM 1180 O ASN A 734 -0.174 3.706 3.015 1.00 21.75 O ATOM 1181 CB ASN A 734 -0.068 4.611 5.691 1.00 23.65 C ATOM 1182 CG ASN A 734 1.166 5.397 5.314 1.00 36.33 C ATOM 1183 OD1 ASN A 734 1.135 6.239 4.424 1.00 25.02 O ATOM 1184 ND2 ASN A 734 2.282 5.153 6.008 1.00 32.36 N ATOM 1185 HD22 ASN A 734 2.281 4.433 6.758 1.00 0.00 H ATOM 1186 HD21 ASN A 734 3.152 5.683 5.798 1.00 0.00 H ATOM 1187 H ASN A 734 -2.940 3.539 5.359 1.00 0.00 H ATOM 1188 N VAL A 735 -2.358 4.241 2.678 1.00 19.32 N ATOM 1189 CA VAL A 735 -2.419 3.686 1.312 1.00 17.87 C ATOM 1190 C VAL A 735 -1.700 4.630 0.335 1.00 21.50 C ATOM 1191 O VAL A 735 -2.129 5.780 0.166 1.00 22.30 O ATOM 1192 CB VAL A 735 -3.878 3.387 0.844 1.00 18.81 C ATOM 1193 CG1 VAL A 735 -3.861 2.767 -0.561 1.00 18.17 C ATOM 1194 CG2 VAL A 735 -4.579 2.444 1.825 1.00 19.15 C ATOM 1195 H VAL A 735 -3.220 4.650 3.093 1.00 0.00 H ATOM 1196 N CYS A 736 -0.605 4.141 -0.282 1.00 18.73 N ATOM 1197 CA CYS A 736 0.190 4.863 -1.287 1.00 18.39 C ATOM 1198 C CYS A 736 1.063 3.838 -2.022 1.00 21.28 C ATOM 1199 O CYS A 736 1.280 2.730 -1.526 1.00 18.12 O ATOM 1200 CB CYS A 736 1.042 5.954 -0.626 1.00 19.06 C ATOM 1201 SG CYS A 736 2.208 5.338 0.623 1.00 22.64 S ATOM 1202 H CYS A 736 -0.299 3.180 -0.028 1.00 0.00 H ATOM 1203 N GLY A 737 1.633 4.246 -3.148 1.00 19.54 N ATOM 1204 CA GLY A 737 2.527 3.382 -3.935 1.00 18.12 C ATOM 1205 C GLY A 737 3.745 2.874 -3.197 1.00 21.52 C ATOM 1206 O GLY A 737 4.185 1.755 -3.440 1.00 22.20 O ATOM 1207 H GLY A 737 1.441 5.210 -3.487 1.00 0.00 H ATOM 1208 N ARG A 738 4.304 3.669 -2.268 1.00 20.22 N ATOM 1209 CA ARG A 738 5.471 3.254 -1.473 1.00 20.08 C ATOM 1210 C ARG A 738 5.098 2.048 -0.587 1.00 25.06 C ATOM 1211 O ARG A 738 5.964 1.207 -0.289 1.00 25.80 O ATOM 1212 CB ARG A 738 5.926 4.438 -0.588 1.00 22.87 C ATOM 1213 CG ARG A 738 7.117 4.169 0.322 1.00 26.86 C ATOM 1214 CD ARG A 738 8.363 3.628 -0.386 1.00 23.42 C ATOM 1215 NE ARG A 738 8.808 4.450 -1.530 1.00 25.62 N ATOM 1216 CZ ARG A 738 9.573 5.533 -1.422 1.00 40.02 C ATOM 1217 NH1 ARG A 738 10.005 5.935 -0.232 1.00 31.05 N ATOM 1218 NH2 ARG A 738 9.902 6.229 -2.501 1.00 32.17 N ATOM 1219 HE ARG A 738 8.503 4.163 -2.482 1.00 0.00 H ATOM 1220 HH12 ARG A 738 10.603 6.783 -0.155 1.00 0.00 H ATOM 1221 HH11 ARG A 738 9.746 5.402 0.623 1.00 0.00 H ATOM 1222 HH22 ARG A 738 10.500 7.075 -2.412 1.00 0.00 H ATOM 1223 HH21 ARG A 738 9.562 5.929 -3.437 1.00 0.00 H ATOM 1224 H ARG A 738 3.897 4.612 -2.105 1.00 0.00 H ATOM 1225 N ASN A 739 3.828 1.977 -0.146 1.00 21.38 N ATOM 1226 CA ASN A 739 3.363 0.889 0.734 1.00 21.27 C ATOM 1227 C ASN A 739 2.725 -0.260 -0.020 1.00 26.20 C ATOM 1228 O ASN A 739 2.075 -1.096 0.582 1.00 26.25 O ATOM 1229 CB ASN A 739 2.437 1.421 1.827 1.00 20.80 C ATOM 1230 CG ASN A 739 3.209 2.134 2.901 1.00 31.92 C ATOM 1231 OD1 ASN A 739 4.401 1.870 3.139 1.00 25.81 O ATOM 1232 ND2 ASN A 739 2.540 3.003 3.616 1.00 29.49 N ATOM 1233 HD22 ASN A 739 1.544 3.203 3.393 1.00 0.00 H ATOM 1234 HD21 ASN A 739 3.004 3.493 4.407 1.00 0.00 H ATOM 1235 H ASN A 739 3.153 2.713 -0.435 1.00 0.00 H ATOM 1236 N ILE A 740 2.911 -0.310 -1.323 1.00 20.80 N ATOM 1237 CA ILE A 740 2.416 -1.424 -2.135 1.00 20.23 C ATOM 1238 C ILE A 740 3.683 -2.129 -2.607 1.00 21.77 C ATOM 1239 O ILE A 740 4.536 -1.495 -3.221 1.00 22.06 O ATOM 1240 CB ILE A 740 1.529 -0.972 -3.312 1.00 22.74 C ATOM 1241 CG1 ILE A 740 0.229 -0.307 -2.773 1.00 23.85 C ATOM 1242 CG2 ILE A 740 1.194 -2.162 -4.215 1.00 21.53 C ATOM 1243 CD1 ILE A 740 -0.503 0.374 -3.825 1.00 30.10 C ATOM 1244 H ILE A 740 3.425 0.465 -1.789 1.00 0.00 H ATOM 1245 N LEU A 741 3.793 -3.430 -2.330 1.00 17.79 N ATOM 1246 CA LEU A 741 5.013 -4.173 -2.675 1.00 17.70 C ATOM 1247 C LEU A 741 4.787 -5.157 -3.751 1.00 22.95 C ATOM 1248 O LEU A 741 3.749 -5.818 -3.769 1.00 22.87 O ATOM 1249 CB LEU A 741 5.569 -4.850 -1.410 1.00 17.74 C ATOM 1250 CG LEU A 741 5.863 -3.876 -0.235 1.00 22.56 C ATOM 1251 CD1 LEU A 741 5.911 -4.640 1.065 1.00 24.04 C ATOM 1252 CD2 LEU A 741 7.204 -3.122 -0.435 1.00 23.30 C ATOM 1253 H LEU A 741 3.005 -3.924 -1.864 1.00 0.00 H ATOM 1254 N LEU A 742 5.747 -5.256 -4.677 1.00 20.11 N ATOM 1255 CA LEU A 742 5.630 -6.155 -5.818 1.00 20.96 C ATOM 1256 C LEU A 742 6.250 -7.521 -5.539 1.00 24.02 C ATOM 1257 O LEU A 742 7.480 -7.646 -5.444 1.00 23.07 O ATOM 1258 CB LEU A 742 6.305 -5.518 -7.051 1.00 21.32 C ATOM 1259 CG LEU A 742 5.465 -4.470 -7.780 1.00 27.21 C ATOM 1260 CD1 LEU A 742 6.350 -3.632 -8.699 1.00 28.55 C ATOM 1261 CD2 LEU A 742 4.348 -5.125 -8.599 1.00 28.43 C ATOM 1262 H LEU A 742 6.603 -4.674 -4.580 1.00 0.00 H ATOM 1263 N ALA A 743 5.394 -8.538 -5.379 1.00 20.20 N ATOM 1264 CA ALA A 743 5.821 -9.925 -5.181 1.00 20.03 C ATOM 1265 C ALA A 743 6.189 -10.560 -6.545 1.00 26.68 C ATOM 1266 O ALA A 743 7.148 -11.351 -6.630 1.00 24.96 O ATOM 1267 CB ALA A 743 4.723 -10.722 -4.483 1.00 21.71 C ATOM 1268 H ALA A 743 4.375 -8.333 -5.396 1.00 0.00 H ATOM 1269 N ARG A 744 5.420 -10.212 -7.607 1.00 24.06 N ATOM 1270 CA ARG A 744 5.621 -10.678 -8.992 1.00 23.75 C ATOM 1271 C ARG A 744 5.463 -9.484 -9.919 1.00 27.54 C ATOM 1272 O ARG A 744 4.564 -8.632 -9.736 1.00 26.12 O ATOM 1273 CB ARG A 744 4.647 -11.836 -9.374 1.00 24.11 C ATOM 1274 CG ARG A 744 4.559 -12.990 -8.351 1.00 35.07 C ATOM 1275 CD ARG A 744 5.100 -14.325 -8.841 1.00 43.71 C ATOM 1276 NE ARG A 744 5.402 -15.233 -7.730 1.00 44.55 N ATOM 1277 HE ARG A 744 5.238 -14.927 -6.749 1.00 0.00 H ATOM 1278 H ARG A 744 4.625 -9.565 -7.431 1.00 0.00 H ATOM 1279 N LEU A 745 6.351 -9.395 -10.914 1.00 27.44 N ATOM 1280 CA LEU A 745 6.342 -8.259 -11.847 1.00 28.18 C ATOM 1281 C LEU A 745 5.346 -8.378 -12.980 1.00 31.63 C ATOM 1282 O LEU A 745 4.899 -7.347 -13.472 1.00 30.60 O ATOM 1283 CB LEU A 745 7.749 -7.975 -12.408 1.00 28.25 C ATOM 1284 CG LEU A 745 8.813 -7.622 -11.362 1.00 33.42 C ATOM 1285 CD1 LEU A 745 10.173 -7.458 -12.007 1.00 33.74 C ATOM 1286 CD2 LEU A 745 8.423 -6.351 -10.555 1.00 34.06 C ATOM 1287 H LEU A 745 7.063 -10.144 -11.030 1.00 0.00 H ATOM 1288 N GLY A 746 5.048 -9.590 -13.432 1.00 27.82 N ATOM 1289 CA GLY A 746 4.119 -9.750 -14.543 1.00 28.65 C ATOM 1290 C GLY A 746 4.659 -9.137 -15.824 1.00 35.58 C ATOM 1291 O GLY A 746 3.937 -8.450 -16.550 1.00 36.41 O ATOM 1292 H GLY A 746 5.479 -10.428 -12.992 1.00 0.00 H ATOM 1293 N LEU A 747 5.948 -9.379 -16.096 1.00 32.59 N ATOM 1294 CA LEU A 747 6.637 -8.836 -17.288 1.00 34.17 C ATOM 1295 C LEU A 747 6.613 -9.794 -18.461 1.00 37.30 C ATOM 1296 O LEU A 747 6.523 -9.342 -19.609 1.00 34.96 O ATOM 1297 CB LEU A 747 8.100 -8.459 -16.981 1.00 34.92 C ATOM 1298 CG LEU A 747 8.362 -7.196 -16.157 1.00 40.81 C ATOM 1299 CD1 LEU A 747 9.844 -7.036 -15.911 1.00 41.62 C ATOM 1300 CD2 LEU A 747 7.795 -5.932 -16.835 1.00 41.26 C ATOM 1301 H LEU A 747 6.490 -9.976 -15.439 1.00 0.00 H ATOM 1302 N ALA A 748 6.734 -11.111 -18.187 1.00 33.43 N ATOM 1303 CA ALA A 748 6.726 -12.140 -19.229 1.00 34.40 C ATOM 1304 C ALA A 748 5.351 -12.201 -19.880 1.00 38.74 C ATOM 1305 O ALA A 748 4.341 -11.950 -19.214 1.00 36.53 O ATOM 1306 CB ALA A 748 7.074 -13.494 -18.630 1.00 34.85 C ATOM 1307 H ALA A 748 6.837 -11.407 -17.195 1.00 0.00 H ATOM 1308 N GLU A 749 5.306 -12.548 -21.177 1.00 37.30 N ATOM 1309 CA GLU A 749 4.058 -12.650 -21.926 1.00 37.68 C ATOM 1310 C GLU A 749 3.099 -13.603 -21.232 1.00 40.31 C ATOM 1311 O GLU A 749 3.524 -14.661 -20.768 1.00 40.39 O ATOM 1312 CB GLU A 749 4.344 -13.113 -23.379 1.00 39.63 C ATOM 1313 H GLU A 749 6.199 -12.753 -21.668 1.00 0.00 H ATOM 1314 N GLY A 750 1.833 -13.195 -21.094 1.00 37.20 N ATOM 1315 CA GLY A 750 0.823 -14.030 -20.457 1.00 37.08 C ATOM 1316 C GLY A 750 0.861 -14.128 -18.939 1.00 42.62 C ATOM 1317 O GLY A 750 0.161 -14.971 -18.372 1.00 45.21 O ATOM 1318 H GLY A 750 1.562 -12.257 -21.451 1.00 0.00 H ATOM 1319 N THR A 751 1.678 -13.294 -18.256 1.00 35.51 N ATOM 1320 CA THR A 751 1.743 -13.275 -16.786 1.00 33.17 C ATOM 1321 C THR A 751 1.145 -11.974 -16.240 1.00 36.28 C ATOM 1322 O THR A 751 0.995 -10.996 -16.983 1.00 37.18 O ATOM 1323 CB THR A 751 3.151 -13.481 -16.252 1.00 37.17 C ATOM 1324 OG1 THR A 751 3.944 -12.340 -16.589 1.00 35.19 O ATOM 1325 CG2 THR A 751 3.769 -14.840 -16.706 1.00 32.08 C ATOM 1326 HG1 THR A 751 3.970 -12.237 -17.573 1.00 0.00 H ATOM 1327 H THR A 751 2.284 -12.640 -18.791 1.00 0.00 H ATOM 1328 N SER A 752 0.827 -11.976 -14.926 1.00 29.46 N ATOM 1329 CA SER A 752 0.203 -10.854 -14.261 1.00 27.63 C ATOM 1330 C SER A 752 0.994 -10.438 -13.029 1.00 26.57 C ATOM 1331 O SER A 752 1.624 -11.262 -12.376 1.00 23.21 O ATOM 1332 CB SER A 752 -1.227 -11.210 -13.859 1.00 30.26 C ATOM 1333 OG SER A 752 -2.084 -11.233 -14.986 1.00 36.94 O ATOM 1334 HG SER A 752 -3.002 -11.466 -14.697 1.00 0.00 H ATOM 1335 H SER A 752 1.042 -12.826 -14.366 1.00 0.00 H ATOM 1336 N PRO A 753 0.968 -9.138 -12.672 1.00 23.30 N ATOM 1337 CA PRO A 753 1.687 -8.723 -11.457 1.00 21.64 C ATOM 1338 C PRO A 753 0.987 -9.249 -10.212 1.00 22.13 C ATOM 1339 O PRO A 753 -0.170 -9.680 -10.274 1.00 24.13 O ATOM 1340 CB PRO A 753 1.630 -7.194 -11.518 1.00 22.83 C ATOM 1341 CG PRO A 753 0.401 -6.877 -12.334 1.00 27.20 C ATOM 1342 CD PRO A 753 0.288 -8.003 -13.338 1.00 24.02 C ATOM 1343 N PHE A 754 1.675 -9.212 -9.090 1.00 20.63 N ATOM 1344 CA PHE A 754 1.100 -9.638 -7.811 1.00 19.96 C ATOM 1345 C PHE A 754 1.630 -8.694 -6.752 1.00 22.76 C ATOM 1346 O PHE A 754 2.845 -8.641 -6.534 1.00 21.75 O ATOM 1347 CB PHE A 754 1.474 -11.084 -7.475 1.00 22.28 C ATOM 1348 CG PHE A 754 0.614 -11.691 -6.382 1.00 25.29 C ATOM 1349 CD1 PHE A 754 0.813 -11.353 -5.044 1.00 28.59 C ATOM 1350 CD2 PHE A 754 -0.376 -12.624 -6.690 1.00 29.11 C ATOM 1351 CE1 PHE A 754 0.023 -11.926 -4.031 1.00 29.86 C ATOM 1352 CE2 PHE A 754 -1.149 -13.216 -5.672 1.00 32.20 C ATOM 1353 CZ PHE A 754 -0.946 -12.859 -4.353 1.00 29.90 C ATOM 1354 H PHE A 754 2.657 -8.870 -9.112 1.00 0.00 H ATOM 1355 N ILE A 755 0.712 -7.953 -6.104 1.00 21.46 N ATOM 1356 CA ILE A 755 1.099 -6.970 -5.096 1.00 21.06 C ATOM 1357 C ILE A 755 0.718 -7.394 -3.684 1.00 22.13 C ATOM 1358 O ILE A 755 -0.183 -8.209 -3.490 1.00 22.13 O ATOM 1359 CB ILE A 755 0.566 -5.526 -5.447 1.00 24.59 C ATOM 1360 CG1 ILE A 755 -0.989 -5.420 -5.476 1.00 27.87 C ATOM 1361 CG2 ILE A 755 1.143 -5.034 -6.780 1.00 27.12 C ATOM 1362 CD1 ILE A 755 -1.679 -4.902 -4.182 1.00 29.29 C ATOM 1363 H ILE A 755 -0.296 -8.084 -6.326 1.00 0.00 H ATOM 1364 N LYS A 756 1.390 -6.806 -2.697 1.00 19.90 N ATOM 1365 CA LYS A 756 1.031 -6.949 -1.281 1.00 20.12 C ATOM 1366 C LYS A 756 1.001 -5.550 -0.663 1.00 23.43 C ATOM 1367 O LYS A 756 1.973 -4.806 -0.768 1.00 22.42 O ATOM 1368 CB LYS A 756 1.990 -7.885 -0.531 1.00 24.59 C ATOM 1369 CG LYS A 756 1.890 -9.316 -1.065 1.00 28.71 C ATOM 1370 CD LYS A 756 2.361 -10.314 -0.071 1.00 32.25 C ATOM 1371 CE LYS A 756 2.374 -11.701 -0.672 1.00 40.71 C ATOM 1372 NZ LYS A 756 2.925 -12.681 0.300 1.00 51.17 N ATOM 1373 HZ1 LYS A 756 3.898 -12.410 0.550 1.00 0.00 H ATOM 1374 HZ2 LYS A 756 2.335 -12.688 1.156 1.00 0.00 H ATOM 1375 HZ3 LYS A 756 2.927 -13.629 -0.128 1.00 0.00 H ATOM 1376 H LYS A 756 2.211 -6.216 -2.941 1.00 0.00 H ATOM 1377 N LEU A 757 -0.109 -5.187 -0.038 1.00 22.00 N ATOM 1378 CA LEU A 757 -0.215 -3.921 0.691 1.00 20.23 C ATOM 1379 C LEU A 757 0.565 -4.095 2.002 1.00 23.31 C ATOM 1380 O LEU A 757 0.314 -5.033 2.763 1.00 21.95 O ATOM 1381 CB LEU A 757 -1.677 -3.582 0.946 1.00 20.33 C ATOM 1382 CG LEU A 757 -1.970 -2.337 1.802 1.00 22.50 C ATOM 1383 CD1 LEU A 757 -1.422 -1.054 1.125 1.00 23.48 C ATOM 1384 CD2 LEU A 757 -3.471 -2.196 2.019 1.00 23.85 C ATOM 1385 H LEU A 757 -0.932 -5.822 -0.066 1.00 0.00 H ATOM 1386 N SER A 758 1.537 -3.206 2.235 1.00 20.50 N ATOM 1387 CA SER A 758 2.386 -3.293 3.413 1.00 20.45 C ATOM 1388 C SER A 758 1.727 -2.692 4.661 1.00 24.10 C ATOM 1389 O SER A 758 0.643 -2.109 4.569 1.00 22.69 O ATOM 1390 CB SER A 758 3.759 -2.688 3.135 1.00 24.70 C ATOM 1391 OG SER A 758 3.845 -1.286 3.291 1.00 34.44 O ATOM 1392 HG SER A 758 4.768 -0.989 3.090 1.00 0.00 H ATOM 1393 H SER A 758 1.690 -2.433 1.556 1.00 0.00 H ATOM 1394 N ASP A 759 2.369 -2.858 5.836 1.00 23.42 N ATOM 1395 CA ASP A 759 1.828 -2.308 7.077 1.00 22.91 C ATOM 1396 C ASP A 759 1.834 -0.779 6.973 1.00 27.11 C ATOM 1397 O ASP A 759 2.707 -0.197 6.314 1.00 27.98 O ATOM 1398 CB ASP A 759 2.693 -2.756 8.277 1.00 24.78 C ATOM 1399 CG ASP A 759 4.054 -2.144 8.293 1.00 31.04 C ATOM 1400 OD1 ASP A 759 4.198 -1.045 8.869 1.00 32.51 O ATOM 1401 OD2 ASP A 759 4.979 -2.761 7.742 1.00 30.19 O ATOM 1402 H ASP A 759 3.264 -3.387 5.859 1.00 0.00 H ATOM 1403 N PRO A 760 0.922 -0.102 7.673 1.00 22.36 N ATOM 1404 CA PRO A 760 0.888 1.366 7.573 1.00 22.38 C ATOM 1405 C PRO A 760 1.933 2.138 8.396 1.00 27.60 C ATOM 1406 O PRO A 760 1.855 3.363 8.386 1.00 26.32 O ATOM 1407 CB PRO A 760 -0.533 1.700 8.041 1.00 23.37 C ATOM 1408 CG PRO A 760 -0.884 0.620 8.991 1.00 26.75 C ATOM 1409 CD PRO A 760 -0.233 -0.625 8.435 1.00 22.42 C ATOM 1410 N GLY A 761 2.866 1.454 9.097 1.00 23.51 N ATOM 1411 CA GLY A 761 3.879 2.124 9.934 1.00 22.40 C ATOM 1412 C GLY A 761 3.250 2.875 11.105 1.00 25.98 C ATOM 1413 O GLY A 761 2.182 2.501 11.558 1.00 27.07 O ATOM 1414 H GLY A 761 2.869 0.415 9.044 1.00 0.00 H ATOM 1415 N VAL A 762 3.845 3.986 11.563 1.00 22.14 N ATOM 1416 CA VAL A 762 3.264 4.775 12.680 1.00 21.72 C ATOM 1417 C VAL A 762 1.894 5.321 12.271 1.00 27.02 C ATOM 1418 O VAL A 762 1.788 5.983 11.243 1.00 26.67 O ATOM 1419 CB VAL A 762 4.225 5.939 13.078 1.00 23.73 C ATOM 1420 CG1 VAL A 762 3.593 6.817 14.163 1.00 24.21 C ATOM 1421 CG2 VAL A 762 5.590 5.402 13.516 1.00 23.21 C ATOM 1422 H VAL A 762 4.734 4.303 11.126 1.00 0.00 H ATOM 1423 N GLY A 763 0.866 5.029 13.065 1.00 26.43 N ATOM 1424 CA GLY A 763 -0.497 5.465 12.781 1.00 27.55 C ATOM 1425 C GLY A 763 -0.630 6.956 12.612 1.00 30.81 C ATOM 1426 O GLY A 763 0.008 7.737 13.321 1.00 28.90 O ATOM 1427 H GLY A 763 1.042 4.467 13.922 1.00 0.00 H ATOM 1428 N LEU A 764 -1.406 7.350 11.611 1.00 31.06 N ATOM 1429 CA LEU A 764 -1.672 8.731 11.241 1.00 32.43 C ATOM 1430 C LEU A 764 -2.001 9.619 12.431 1.00 35.76 C ATOM 1431 O LEU A 764 -1.499 10.727 12.493 1.00 35.92 O ATOM 1432 CB LEU A 764 -2.857 8.770 10.259 1.00 32.90 C ATOM 1433 CG LEU A 764 -3.058 10.071 9.492 1.00 37.49 C ATOM 1434 CD1 LEU A 764 -1.820 10.441 8.709 1.00 38.04 C ATOM 1435 CD2 LEU A 764 -4.237 9.947 8.548 1.00 38.31 C ATOM 1436 H LEU A 764 -1.863 6.609 11.043 1.00 0.00 H ATOM 1437 N GLY A 765 -2.841 9.125 13.339 1.00 36.77 N ATOM 1438 CA GLY A 765 -3.286 9.844 14.535 1.00 36.59 C ATOM 1439 C GLY A 765 -2.178 10.358 15.432 1.00 39.28 C ATOM 1440 O GLY A 765 -2.390 11.336 16.148 1.00 38.89 O ATOM 1441 H GLY A 765 -3.206 8.163 13.188 1.00 0.00 H ATOM 1442 N ALA A 766 -0.975 9.737 15.371 1.00 32.32 N ATOM 1443 CA ALA A 766 0.164 10.137 16.205 1.00 30.85 C ATOM 1444 C ALA A 766 1.122 11.140 15.558 1.00 33.72 C ATOM 1445 O ALA A 766 2.026 11.653 16.224 1.00 31.99 O ATOM 1446 CB ALA A 766 0.925 8.902 16.641 1.00 31.61 C ATOM 1447 H ALA A 766 -0.854 8.946 14.707 1.00 0.00 H ATOM 1448 N LEU A 767 0.946 11.415 14.248 1.00 29.52 N ATOM 1449 CA LEU A 767 1.847 12.300 13.527 1.00 29.50 C ATOM 1450 C LEU A 767 1.528 13.779 13.719 1.00 33.98 C ATOM 1451 O LEU A 767 0.419 14.118 14.135 1.00 34.60 O ATOM 1452 CB LEU A 767 1.881 11.910 12.042 1.00 29.64 C ATOM 1453 CG LEU A 767 2.336 10.440 11.745 1.00 34.54 C ATOM 1454 CD1 LEU A 767 2.273 10.138 10.248 1.00 35.47 C ATOM 1455 CD2 LEU A 767 3.749 10.153 12.287 1.00 33.90 C ATOM 1456 H LEU A 767 0.146 10.983 13.742 1.00 0.00 H ATOM 1457 N SER A 768 2.510 14.647 13.443 1.00 30.38 N ATOM 1458 CA SER A 768 2.369 16.098 13.523 1.00 29.88 C ATOM 1459 C SER A 768 1.590 16.606 12.312 1.00 34.30 C ATOM 1460 O SER A 768 1.519 15.911 11.306 1.00 31.43 O ATOM 1461 CB SER A 768 3.744 16.757 13.560 1.00 30.51 C ATOM 1462 OG SER A 768 4.405 16.721 12.304 1.00 34.56 O ATOM 1463 HG SER A 768 5.289 17.160 12.385 1.00 0.00 H ATOM 1464 H SER A 768 3.432 14.263 13.153 1.00 0.00 H ATOM 1465 N ARG A 769 1.072 17.851 12.374 1.00 32.11 N ATOM 1466 CA ARG A 769 0.369 18.446 11.240 1.00 31.28 C ATOM 1467 C ARG A 769 1.284 18.530 10.027 1.00 32.66 C ATOM 1468 O ARG A 769 0.842 18.223 8.924 1.00 32.42 O ATOM 1469 CB ARG A 769 -0.204 19.838 11.582 1.00 32.86 C ATOM 1470 CG ARG A 769 -1.172 20.347 10.509 1.00 39.66 C ATOM 1471 CD ARG A 769 -1.801 21.678 10.883 1.00 48.95 C ATOM 1472 NE ARG A 769 -3.226 21.701 10.524 1.00 51.68 N ATOM 1473 CZ ARG A 769 -3.688 22.204 9.391 1.00 60.90 C ATOM 1474 NH1 ARG A 769 -2.856 22.704 8.498 1.00 57.66 N ATOM 1475 NH2 ARG A 769 -4.986 22.193 9.134 1.00 51.31 N ATOM 1476 HE ARG A 769 -3.909 21.300 11.198 1.00 0.00 H ATOM 1477 HH12 ARG A 769 -3.223 23.098 7.609 1.00 0.00 H ATOM 1478 HH11 ARG A 769 -1.833 22.704 8.683 1.00 0.00 H ATOM 1479 HH22 ARG A 769 -5.343 22.590 8.241 1.00 0.00 H ATOM 1480 HH21 ARG A 769 -5.649 21.787 9.825 1.00 0.00 H ATOM 1481 H ARG A 769 1.176 18.400 13.251 1.00 0.00 H ATOM 1482 N GLU A 770 2.572 18.877 10.228 1.00 27.95 N ATOM 1483 CA GLU A 770 3.533 18.965 9.140 1.00 28.59 C ATOM 1484 C GLU A 770 3.702 17.617 8.428 1.00 30.01 C ATOM 1485 O GLU A 770 3.793 17.578 7.205 1.00 29.03 O ATOM 1486 CB GLU A 770 4.900 19.497 9.631 1.00 30.66 C ATOM 1487 H GLU A 770 2.889 19.089 11.196 1.00 0.00 H ATOM 1488 N GLU A 771 3.715 16.514 9.190 1.00 25.80 N ATOM 1489 CA GLU A 771 3.868 15.176 8.596 1.00 24.29 C ATOM 1490 C GLU A 771 2.589 14.789 7.827 1.00 27.78 C ATOM 1491 O GLU A 771 2.692 14.148 6.786 1.00 26.54 O ATOM 1492 CB GLU A 771 4.177 14.126 9.672 1.00 24.31 C ATOM 1493 CG GLU A 771 5.581 14.294 10.229 1.00 25.11 C ATOM 1494 CD GLU A 771 5.837 13.495 11.493 1.00 30.35 C ATOM 1495 OE1 GLU A 771 6.758 12.656 11.461 1.00 36.51 O ATOM 1496 OE2 GLU A 771 5.132 13.695 12.507 1.00 30.78 O ATOM 1497 H GLU A 771 3.615 16.606 10.221 1.00 0.00 H ATOM 1498 N ARG A 772 1.417 15.193 8.324 1.00 24.40 N ATOM 1499 CA ARG A 772 0.133 14.944 7.627 1.00 25.18 C ATOM 1500 C ARG A 772 0.105 15.713 6.296 1.00 28.53 C ATOM 1501 O ARG A 772 -0.308 15.163 5.270 1.00 25.90 O ATOM 1502 CB ARG A 772 -1.074 15.335 8.507 1.00 25.83 C ATOM 1503 CG ARG A 772 -1.249 14.408 9.726 1.00 29.18 C ATOM 1504 CD ARG A 772 -2.626 14.492 10.367 1.00 29.54 C ATOM 1505 NE ARG A 772 -3.056 15.856 10.718 1.00 36.49 N ATOM 1506 CZ ARG A 772 -2.744 16.479 11.855 1.00 45.07 C ATOM 1507 NH1 ARG A 772 -3.183 17.707 12.088 1.00 35.39 N ATOM 1508 NH2 ARG A 772 -1.964 15.892 12.748 1.00 32.72 N ATOM 1509 HE ARG A 772 -3.644 16.369 10.031 1.00 0.00 H ATOM 1510 HH12 ARG A 772 -2.936 18.188 12.977 1.00 0.00 H ATOM 1511 HH11 ARG A 772 -3.774 18.190 11.382 1.00 0.00 H ATOM 1512 HH22 ARG A 772 -1.725 16.384 13.633 1.00 0.00 H ATOM 1513 HH21 ARG A 772 -1.590 14.939 12.565 1.00 0.00 H ATOM 1514 H ARG A 772 1.405 15.700 9.232 1.00 0.00 H ATOM 1515 N VAL A 773 0.579 16.972 6.304 1.00 27.94 N ATOM 1516 CA VAL A 773 0.652 17.798 5.083 1.00 28.48 C ATOM 1517 C VAL A 773 1.586 17.149 4.051 1.00 32.53 C ATOM 1518 O VAL A 773 1.262 17.103 2.854 1.00 32.21 O ATOM 1519 CB VAL A 773 1.030 19.264 5.390 1.00 32.42 C ATOM 1520 CG1 VAL A 773 1.332 20.032 4.102 1.00 31.91 C ATOM 1521 CG2 VAL A 773 -0.081 19.948 6.170 1.00 32.57 C ATOM 1522 H VAL A 773 0.906 17.378 7.204 1.00 0.00 H ATOM 1523 N GLU A 774 2.713 16.593 4.521 1.00 28.94 N ATOM 1524 CA GLU A 774 3.648 15.856 3.662 1.00 29.11 C ATOM 1525 C GLU A 774 2.964 14.638 2.995 1.00 30.39 C ATOM 1526 O GLU A 774 3.390 14.226 1.928 1.00 31.07 O ATOM 1527 CB GLU A 774 4.900 15.403 4.450 1.00 31.34 C ATOM 1528 H GLU A 774 2.933 16.688 5.533 1.00 0.00 H ATOM 1529 N ARG A 775 1.897 14.082 3.615 1.00 24.84 N ATOM 1530 CA ARG A 775 1.165 12.924 3.057 1.00 23.65 C ATOM 1531 C ARG A 775 0.119 13.317 1.982 1.00 24.39 C ATOM 1532 O ARG A 775 -0.460 12.441 1.362 1.00 23.61 O ATOM 1533 CB ARG A 775 0.526 12.098 4.187 1.00 23.41 C ATOM 1534 CG ARG A 775 0.239 10.649 3.840 1.00 38.36 C ATOM 1535 CD ARG A 775 -0.017 9.807 5.094 1.00 41.13 C ATOM 1536 NE ARG A 775 1.241 9.493 5.775 1.00 35.62 N ATOM 1537 CZ ARG A 775 1.384 8.582 6.733 1.00 38.79 C ATOM 1538 NH1 ARG A 775 0.342 7.867 7.143 1.00 26.21 N ATOM 1539 NH2 ARG A 775 2.571 8.369 7.278 1.00 33.36 N ATOM 1540 HE ARG A 775 2.088 10.024 5.487 1.00 0.00 H ATOM 1541 HH12 ARG A 775 0.462 7.156 7.893 1.00 0.00 H ATOM 1542 HH11 ARG A 775 -0.593 8.018 6.714 1.00 0.00 H ATOM 1543 HH22 ARG A 775 2.679 7.656 8.027 1.00 0.00 H ATOM 1544 HH21 ARG A 775 3.396 8.915 6.957 1.00 0.00 H ATOM 1545 H ARG A 775 1.579 14.485 4.520 1.00 0.00 H ATOM 1546 N ILE A 776 -0.121 14.628 1.751 1.00 21.50 N ATOM 1547 CA ILE A 776 -0.971 15.081 0.645 1.00 20.59 C ATOM 1548 C ILE A 776 -0.269 14.703 -0.716 1.00 25.56 C ATOM 1549 O ILE A 776 0.957 14.858 -0.826 1.00 25.30 O ATOM 1550 CB ILE A 776 -1.276 16.588 0.783 1.00 23.76 C ATOM 1551 CG1 ILE A 776 -2.140 16.837 2.054 1.00 23.71 C ATOM 1552 CG2 ILE A 776 -1.909 17.190 -0.525 1.00 24.45 C ATOM 1553 CD1 ILE A 776 -2.409 18.353 2.383 1.00 24.47 C ATOM 1554 H ILE A 776 0.311 15.337 2.377 1.00 0.00 H ATOM 1555 N PRO A 777 -0.949 14.082 -1.704 1.00 22.31 N ATOM 1556 CA PRO A 777 -2.406 13.865 -1.874 1.00 21.69 C ATOM 1557 C PRO A 777 -3.008 12.553 -1.368 1.00 24.96 C ATOM 1558 O PRO A 777 -4.202 12.321 -1.562 1.00 23.52 O ATOM 1559 CB PRO A 777 -2.568 13.951 -3.396 1.00 23.49 C ATOM 1560 CG PRO A 777 -1.324 13.258 -3.888 1.00 26.94 C ATOM 1561 CD PRO A 777 -0.226 13.743 -2.953 1.00 23.07 C ATOM 1562 N TRP A 778 -2.199 11.675 -0.765 1.00 21.38 N ATOM 1563 CA TRP A 778 -2.748 10.404 -0.263 1.00 20.06 C ATOM 1564 C TRP A 778 -3.591 10.631 0.967 1.00 21.94 C ATOM 1565 O TRP A 778 -4.525 9.883 1.183 1.00 21.27 O ATOM 1566 CB TRP A 778 -1.599 9.415 0.028 1.00 19.23 C ATOM 1567 CG TRP A 778 -0.777 9.128 -1.202 1.00 18.93 C ATOM 1568 CD1 TRP A 778 -1.023 8.184 -2.152 1.00 21.41 C ATOM 1569 CD2 TRP A 778 0.441 9.781 -1.589 1.00 19.33 C ATOM 1570 NE1 TRP A 778 -0.021 8.192 -3.104 1.00 20.22 N ATOM 1571 CE2 TRP A 778 0.897 9.155 -2.772 1.00 22.93 C ATOM 1572 CE3 TRP A 778 1.207 10.825 -1.035 1.00 21.23 C ATOM 1573 CZ2 TRP A 778 2.081 9.547 -3.420 1.00 23.22 C ATOM 1574 CZ3 TRP A 778 2.382 11.215 -1.679 1.00 23.38 C ATOM 1575 CH2 TRP A 778 2.805 10.583 -2.851 1.00 24.40 C ATOM 1576 HE1 TRP A 778 0.029 7.570 -3.936 1.00 0.00 H ATOM 1577 H TRP A 778 -1.188 11.889 -0.651 1.00 0.00 H ATOM 1578 N LEU A 779 -3.257 11.644 1.781 1.00 18.37 N ATOM 1579 CA LEU A 779 -3.985 11.999 3.004 1.00 19.48 C ATOM 1580 C LEU A 779 -5.430 12.409 2.701 1.00 23.14 C ATOM 1581 O LEU A 779 -5.623 13.303 1.875 1.00 22.66 O ATOM 1582 CB LEU A 779 -3.294 13.186 3.676 1.00 20.19 C ATOM 1583 CG LEU A 779 -3.917 13.614 5.013 1.00 24.41 C ATOM 1584 CD1 LEU A 779 -3.308 12.816 6.173 1.00 25.45 C ATOM 1585 CD2 LEU A 779 -3.744 15.111 5.225 1.00 28.43 C ATOM 1586 H LEU A 779 -2.426 12.216 1.528 1.00 0.00 H ATOM 1587 N ALA A 780 -6.440 11.803 3.383 1.00 19.22 N ATOM 1588 CA ALA A 780 -7.838 12.207 3.160 1.00 20.28 C ATOM 1589 C ALA A 780 -8.003 13.632 3.764 1.00 23.90 C ATOM 1590 O ALA A 780 -7.373 13.931 4.782 1.00 22.18 O ATOM 1591 CB ALA A 780 -8.794 11.236 3.819 1.00 21.96 C ATOM 1592 H ALA A 780 -6.223 11.050 4.066 1.00 0.00 H ATOM 1593 N PRO A 781 -8.770 14.526 3.110 1.00 22.80 N ATOM 1594 CA PRO A 781 -8.856 15.924 3.574 1.00 23.27 C ATOM 1595 C PRO A 781 -9.372 16.106 4.985 1.00 27.76 C ATOM 1596 O PRO A 781 -8.893 17.008 5.687 1.00 27.10 O ATOM 1597 CB PRO A 781 -9.770 16.582 2.532 1.00 25.48 C ATOM 1598 CG PRO A 781 -10.583 15.439 1.993 1.00 28.85 C ATOM 1599 CD PRO A 781 -9.584 14.336 1.893 1.00 23.62 C ATOM 1600 N GLU A 782 -10.262 15.203 5.437 1.00 25.67 N ATOM 1601 CA GLU A 782 -10.826 15.247 6.802 1.00 25.91 C ATOM 1602 C GLU A 782 -9.780 14.958 7.882 1.00 31.35 C ATOM 1603 O GLU A 782 -10.016 15.253 9.056 1.00 29.93 O ATOM 1604 CB GLU A 782 -12.019 14.291 6.945 1.00 27.32 C ATOM 1605 CG GLU A 782 -11.689 12.811 6.804 1.00 32.38 C ATOM 1606 CD GLU A 782 -11.795 12.254 5.396 1.00 26.95 C ATOM 1607 OE1 GLU A 782 -11.686 13.031 4.418 1.00 28.02 O ATOM 1608 OE2 GLU A 782 -12.010 11.031 5.274 1.00 29.36 O ATOM 1609 H GLU A 782 -10.566 14.441 4.798 1.00 0.00 H ATOM 1610 N CYS A 783 -8.635 14.346 7.488 1.00 26.37 N ATOM 1611 CA CYS A 783 -7.572 13.987 8.417 1.00 26.17 C ATOM 1612 C CYS A 783 -6.588 15.116 8.585 1.00 31.01 C ATOM 1613 O CYS A 783 -5.669 14.984 9.383 1.00 31.37 O ATOM 1614 CB CYS A 783 -6.872 12.700 7.977 1.00 27.69 C ATOM 1615 SG CYS A 783 -7.987 11.294 7.740 1.00 31.35 S ATOM 1616 H CYS A 783 -8.511 14.124 6.480 1.00 0.00 H ATOM 1617 N LEU A 784 -6.731 16.205 7.804 1.00 30.15 N ATOM 1618 CA LEU A 784 -5.790 17.316 7.876 1.00 30.89 C ATOM 1619 C LEU A 784 -5.923 18.079 9.217 1.00 38.19 C ATOM 1620 O LEU A 784 -4.911 18.163 9.923 1.00 37.33 O ATOM 1621 CB LEU A 784 -5.865 18.225 6.628 1.00 31.16 C ATOM 1622 CG LEU A 784 -4.928 19.439 6.554 1.00 37.14 C ATOM 1623 CD1 LEU A 784 -3.487 19.023 6.663 1.00 37.28 C ATOM 1624 CD2 LEU A 784 -5.170 20.232 5.272 1.00 41.97 C ATOM 1625 H LEU A 784 -7.528 16.254 7.137 1.00 0.00 H ATOM 1626 N PRO A 785 -7.128 18.529 9.662 1.00 36.83 N ATOM 1627 CA PRO A 785 -7.193 19.238 10.959 1.00 45.03 C ATOM 1628 C PRO A 785 -6.982 18.355 12.190 1.00 71.75 C ATOM 1629 O PRO A 785 -6.951 17.132 12.088 1.00 45.51 O ATOM 1630 CB PRO A 785 -8.584 19.883 10.944 1.00 45.49 C ATOM 1631 CG PRO A 785 -9.389 19.055 10.029 1.00 46.39 C ATOM 1632 CD PRO A 785 -8.449 18.534 8.986 1.00 40.65 C TER 1633 PRO A 785 ATOM 1634 N SER A 792 -11.118 7.695 10.666 1.00 45.79 N ATOM 1635 CA SER A 792 -12.103 7.801 9.589 1.00 45.19 C ATOM 1636 C SER A 792 -12.212 6.470 8.856 1.00 46.09 C ATOM 1637 O SER A 792 -11.240 5.986 8.270 1.00 43.85 O ATOM 1638 CB SER A 792 -11.750 8.947 8.631 1.00 50.15 C ATOM 1639 OG SER A 792 -12.747 9.242 7.657 1.00 54.73 O ATOM 1640 HG SER A 792 -12.438 9.989 7.086 1.00 0.00 H ATOM 1641 HN3 SER A 792 -10.192 7.447 10.264 1.00 0.00 H ATOM 1642 HN2 SER A 792 -11.416 6.957 11.335 1.00 0.00 H ATOM 1643 HN1 SER A 792 -11.049 8.607 11.162 1.00 0.00 H ATOM 1644 N THR A 793 -13.406 5.876 8.877 1.00 41.64 N ATOM 1645 CA THR A 793 -13.664 4.610 8.175 1.00 40.81 C ATOM 1646 C THR A 793 -13.660 4.777 6.631 1.00 39.66 C ATOM 1647 O THR A 793 -13.709 3.788 5.911 1.00 44.14 O ATOM 1648 CB THR A 793 -14.996 4.016 8.683 1.00 54.20 C ATOM 1649 H THR A 793 -14.181 6.323 9.408 1.00 0.00 H ATOM 1650 N ALA A 794 -13.600 6.024 6.140 1.00 28.71 N ATOM 1651 CA ALA A 794 -13.629 6.450 4.737 1.00 25.84 C ATOM 1652 C ALA A 794 -12.293 7.015 4.246 1.00 26.40 C ATOM 1653 O ALA A 794 -12.150 7.260 3.040 1.00 25.55 O ATOM 1654 CB ALA A 794 -14.702 7.510 4.600 1.00 26.68 C ATOM 1655 H ALA A 794 -13.523 6.786 6.844 1.00 0.00 H ATOM 1656 N MET A 795 -11.317 7.221 5.144 1.00 23.11 N ATOM 1657 CA MET A 795 -10.022 7.793 4.711 1.00 24.09 C ATOM 1658 C MET A 795 -9.294 6.938 3.673 1.00 25.49 C ATOM 1659 O MET A 795 -8.652 7.498 2.763 1.00 26.87 O ATOM 1660 CB MET A 795 -9.096 8.123 5.895 1.00 26.79 C ATOM 1661 CG MET A 795 -8.522 6.918 6.601 1.00 30.81 C ATOM 1662 SD MET A 795 -7.259 7.448 7.757 1.00 36.65 S ATOM 1663 CE MET A 795 -7.342 6.218 8.887 1.00 34.90 C ATOM 1664 H MET A 795 -11.470 6.979 6.144 1.00 0.00 H ATOM 1665 N ASP A 796 -9.395 5.598 3.784 1.00 19.98 N ATOM 1666 CA ASP A 796 -8.706 4.706 2.832 1.00 19.85 C ATOM 1667 C ASP A 796 -9.278 4.765 1.433 1.00 20.76 C ATOM 1668 O ASP A 796 -8.567 4.446 0.482 1.00 19.21 O ATOM 1669 CB ASP A 796 -8.664 3.278 3.351 1.00 20.28 C ATOM 1670 CG ASP A 796 -7.784 3.153 4.567 1.00 27.38 C ATOM 1671 OD1 ASP A 796 -6.769 3.896 4.655 1.00 24.66 O ATOM 1672 OD2 ASP A 796 -8.106 2.342 5.435 1.00 29.93 O ATOM 1673 H ASP A 796 -9.966 5.188 4.551 1.00 0.00 H ATOM 1674 N LYS A 797 -10.552 5.197 1.283 1.00 19.11 N ATOM 1675 CA LYS A 797 -11.112 5.356 -0.079 1.00 18.58 C ATOM 1676 C LYS A 797 -10.387 6.503 -0.810 1.00 21.74 C ATOM 1677 O LYS A 797 -10.037 6.387 -1.994 1.00 20.13 O ATOM 1678 CB LYS A 797 -12.637 5.592 -0.038 1.00 20.84 C ATOM 1679 CG LYS A 797 -13.434 4.307 0.201 1.00 20.95 C ATOM 1680 CD LYS A 797 -13.626 4.030 1.712 1.00 26.95 C ATOM 1681 CE LYS A 797 -14.618 2.915 1.941 1.00 28.98 C ATOM 1682 NZ LYS A 797 -14.582 2.405 3.351 1.00 27.51 N ATOM 1683 HZ1 LYS A 797 -13.631 2.041 3.562 1.00 0.00 H ATOM 1684 HZ2 LYS A 797 -14.811 3.181 4.005 1.00 0.00 H ATOM 1685 HZ3 LYS A 797 -15.279 1.641 3.460 1.00 0.00 H ATOM 1686 H LYS A 797 -11.133 5.416 2.117 1.00 0.00 H ATOM 1687 N TRP A 798 -10.109 7.597 -0.091 1.00 19.55 N ATOM 1688 CA TRP A 798 -9.372 8.708 -0.695 1.00 19.67 C ATOM 1689 C TRP A 798 -7.905 8.257 -1.017 1.00 21.29 C ATOM 1690 O TRP A 798 -7.433 8.485 -2.131 1.00 17.84 O ATOM 1691 CB TRP A 798 -9.369 9.929 0.248 1.00 19.16 C ATOM 1692 CG TRP A 798 -8.607 11.101 -0.313 1.00 20.72 C ATOM 1693 CD1 TRP A 798 -7.245 11.233 -0.405 1.00 23.13 C ATOM 1694 CD2 TRP A 798 -9.164 12.302 -0.859 1.00 20.67 C ATOM 1695 NE1 TRP A 798 -6.926 12.453 -0.964 1.00 22.95 N ATOM 1696 CE2 TRP A 798 -8.079 13.129 -1.253 1.00 24.63 C ATOM 1697 CE3 TRP A 798 -10.477 12.793 -0.997 1.00 22.40 C ATOM 1698 CZ2 TRP A 798 -8.267 14.400 -1.823 1.00 23.75 C ATOM 1699 CZ3 TRP A 798 -10.659 14.053 -1.550 1.00 24.00 C ATOM 1700 CH2 TRP A 798 -9.572 14.835 -1.968 1.00 24.80 C ATOM 1701 HE1 TRP A 798 -5.962 12.803 -1.138 1.00 0.00 H ATOM 1702 H TRP A 798 -10.418 7.658 0.900 1.00 0.00 H ATOM 1703 N GLY A 799 -7.241 7.600 -0.065 1.00 20.65 N ATOM 1704 CA GLY A 799 -5.879 7.084 -0.244 1.00 19.90 C ATOM 1705 C GLY A 799 -5.768 6.155 -1.444 1.00 21.83 C ATOM 1706 O GLY A 799 -4.842 6.277 -2.245 1.00 19.87 O ATOM 1707 H GLY A 799 -7.712 7.446 0.849 1.00 0.00 H ATOM 1708 N PHE A 800 -6.759 5.270 -1.616 1.00 18.77 N ATOM 1709 CA PHE A 800 -6.877 4.360 -2.759 1.00 18.00 C ATOM 1710 C PHE A 800 -7.017 5.164 -4.049 1.00 21.05 C ATOM 1711 O PHE A 800 -6.300 4.896 -5.026 1.00 18.67 O ATOM 1712 CB PHE A 800 -8.137 3.479 -2.564 1.00 20.11 C ATOM 1713 CG PHE A 800 -8.431 2.546 -3.720 1.00 20.33 C ATOM 1714 CD1 PHE A 800 -7.657 1.410 -3.936 1.00 20.39 C ATOM 1715 CD2 PHE A 800 -9.446 2.838 -4.628 1.00 22.62 C ATOM 1716 CE1 PHE A 800 -7.921 0.560 -5.016 1.00 21.07 C ATOM 1717 CE2 PHE A 800 -9.722 1.976 -5.689 1.00 24.45 C ATOM 1718 CZ PHE A 800 -8.930 0.867 -5.899 1.00 21.21 C ATOM 1719 H PHE A 800 -7.498 5.225 -0.886 1.00 0.00 H ATOM 1720 N GLY A 801 -7.927 6.147 -4.073 1.00 19.07 N ATOM 1721 CA GLY A 801 -8.088 6.995 -5.264 1.00 17.90 C ATOM 1722 C GLY A 801 -6.802 7.721 -5.672 1.00 23.20 C ATOM 1723 O GLY A 801 -6.444 7.742 -6.857 1.00 22.73 O ATOM 1724 H GLY A 801 -8.527 6.312 -3.240 1.00 0.00 H ATOM 1725 N ALA A 802 -6.095 8.342 -4.697 1.00 19.37 N ATOM 1726 CA ALA A 802 -4.819 9.027 -4.992 1.00 19.21 C ATOM 1727 C ALA A 802 -3.746 8.040 -5.464 1.00 21.97 C ATOM 1728 O ALA A 802 -2.940 8.383 -6.326 1.00 20.70 O ATOM 1729 CB ALA A 802 -4.323 9.792 -3.781 1.00 19.53 C ATOM 1730 H ALA A 802 -6.457 8.337 -3.722 1.00 0.00 H ATOM 1731 N THR A 803 -3.754 6.809 -4.912 1.00 17.74 N ATOM 1732 CA THR A 803 -2.820 5.756 -5.341 1.00 16.55 C ATOM 1733 C THR A 803 -3.132 5.347 -6.783 1.00 18.04 C ATOM 1734 O THR A 803 -2.213 5.069 -7.542 1.00 19.79 O ATOM 1735 CB THR A 803 -2.842 4.577 -4.377 1.00 20.77 C ATOM 1736 OG1 THR A 803 -2.562 5.080 -3.066 1.00 22.37 O ATOM 1737 CG2 THR A 803 -1.791 3.540 -4.742 1.00 21.25 C ATOM 1738 HG1 THR A 803 -3.252 5.744 -2.814 1.00 0.00 H ATOM 1739 H THR A 803 -4.441 6.598 -4.160 1.00 0.00 H ATOM 1740 N LEU A 804 -4.417 5.272 -7.165 1.00 17.98 N ATOM 1741 CA LEU A 804 -4.743 4.950 -8.564 1.00 19.23 C ATOM 1742 C LEU A 804 -4.185 6.030 -9.476 1.00 22.31 C ATOM 1743 O LEU A 804 -3.673 5.705 -10.536 1.00 21.50 O ATOM 1744 CB LEU A 804 -6.264 4.792 -8.817 1.00 20.44 C ATOM 1745 CG LEU A 804 -6.992 3.631 -8.101 1.00 26.69 C ATOM 1746 CD1 LEU A 804 -8.399 3.450 -8.673 1.00 27.23 C ATOM 1747 CD2 LEU A 804 -6.218 2.331 -8.182 1.00 27.57 C ATOM 1748 H LEU A 804 -5.178 5.440 -6.476 1.00 0.00 H ATOM 1749 N LEU A 805 -4.250 7.318 -9.070 1.00 18.76 N ATOM 1750 CA LEU A 805 -3.649 8.364 -9.915 1.00 19.46 C ATOM 1751 C LEU A 805 -2.130 8.183 -9.985 1.00 22.50 C ATOM 1752 O LEU A 805 -1.528 8.304 -11.056 1.00 22.60 O ATOM 1753 CB LEU A 805 -3.952 9.772 -9.361 1.00 19.75 C ATOM 1754 CG LEU A 805 -5.422 10.194 -9.331 1.00 25.13 C ATOM 1755 CD1 LEU A 805 -5.532 11.632 -8.842 1.00 25.48 C ATOM 1756 CD2 LEU A 805 -6.047 10.110 -10.705 1.00 26.19 C ATOM 1757 H LEU A 805 -4.717 7.566 -8.175 1.00 0.00 H ATOM 1758 N GLU A 806 -1.513 7.887 -8.853 1.00 20.32 N ATOM 1759 CA GLU A 806 -0.060 7.679 -8.778 1.00 18.72 C ATOM 1760 C GLU A 806 0.347 6.530 -9.735 1.00 21.60 C ATOM 1761 O GLU A 806 1.337 6.658 -10.449 1.00 21.83 O ATOM 1762 CB GLU A 806 0.285 7.299 -7.327 1.00 20.43 C ATOM 1763 CG GLU A 806 1.768 7.159 -7.044 1.00 22.01 C ATOM 1764 CD GLU A 806 2.028 6.652 -5.639 1.00 31.63 C ATOM 1765 OE1 GLU A 806 1.046 6.317 -4.932 1.00 22.39 O ATOM 1766 OE2 GLU A 806 3.217 6.579 -5.253 1.00 28.64 O ATOM 1767 H GLU A 806 -2.077 7.798 -7.984 1.00 0.00 H ATOM 1768 N ILE A 807 -0.421 5.429 -9.748 1.00 18.67 N ATOM 1769 CA ILE A 807 -0.158 4.280 -10.629 1.00 18.64 C ATOM 1770 C ILE A 807 -0.347 4.680 -12.096 1.00 25.52 C ATOM 1771 O ILE A 807 0.514 4.387 -12.939 1.00 23.26 O ATOM 1772 CB ILE A 807 -1.044 3.065 -10.267 1.00 20.73 C ATOM 1773 CG1 ILE A 807 -0.682 2.540 -8.848 1.00 21.47 C ATOM 1774 CG2 ILE A 807 -0.861 1.939 -11.316 1.00 24.68 C ATOM 1775 CD1 ILE A 807 -1.722 1.519 -8.274 1.00 27.51 C ATOM 1776 H ILE A 807 -1.239 5.386 -9.107 1.00 0.00 H ATOM 1777 N CYS A 808 -1.488 5.344 -12.404 1.00 24.04 N ATOM 1778 CA CYS A 808 -1.744 5.772 -13.782 1.00 26.27 C ATOM 1779 C CYS A 808 -0.626 6.631 -14.328 1.00 25.73 C ATOM 1780 O CYS A 808 -0.198 6.426 -15.476 1.00 24.23 O ATOM 1781 CB CYS A 808 -3.101 6.450 -13.898 1.00 30.78 C ATOM 1782 SG CYS A 808 -4.487 5.335 -13.552 1.00 37.87 S ATOM 1783 H CYS A 808 -2.184 5.550 -11.660 1.00 0.00 H ATOM 1784 N PHE A 809 -0.098 7.542 -13.501 1.00 23.45 N ATOM 1785 CA PHE A 809 0.987 8.443 -13.906 1.00 24.08 C ATOM 1786 C PHE A 809 2.396 7.848 -13.666 1.00 24.54 C ATOM 1787 O PHE A 809 3.363 8.589 -13.470 1.00 23.62 O ATOM 1788 CB PHE A 809 0.823 9.843 -13.261 1.00 27.21 C ATOM 1789 CG PHE A 809 -0.503 10.515 -13.587 1.00 31.35 C ATOM 1790 CD1 PHE A 809 -0.930 10.655 -14.908 1.00 37.31 C ATOM 1791 CD2 PHE A 809 -1.337 10.975 -12.571 1.00 36.40 C ATOM 1792 CE1 PHE A 809 -2.166 11.246 -15.205 1.00 39.20 C ATOM 1793 CE2 PHE A 809 -2.576 11.556 -12.873 1.00 39.89 C ATOM 1794 CZ PHE A 809 -2.984 11.673 -14.186 1.00 38.27 C ATOM 1795 H PHE A 809 -0.472 7.614 -12.533 1.00 0.00 H ATOM 1796 N ASP A 810 2.527 6.505 -13.718 1.00 21.24 N ATOM 1797 CA ASP A 810 3.810 5.819 -13.593 1.00 19.96 C ATOM 1798 C ASP A 810 4.643 6.246 -12.394 1.00 24.69 C ATOM 1799 O ASP A 810 5.860 6.432 -12.504 1.00 23.35 O ATOM 1800 CB ASP A 810 4.635 5.956 -14.906 1.00 21.40 C ATOM 1801 CG ASP A 810 4.082 5.171 -16.085 1.00 29.07 C ATOM 1802 OD1 ASP A 810 3.255 4.287 -15.864 1.00 29.18 O ATOM 1803 OD2 ASP A 810 4.528 5.419 -17.223 1.00 34.08 O ATOM 1804 H ASP A 810 1.671 5.930 -13.854 1.00 0.00 H ATOM 1805 N GLY A 811 3.997 6.345 -11.241 1.00 21.39 N ATOM 1806 CA GLY A 811 4.671 6.650 -9.983 1.00 23.04 C ATOM 1807 C GLY A 811 4.882 8.117 -9.690 1.00 29.51 C ATOM 1808 O GLY A 811 5.630 8.442 -8.763 1.00 29.80 O ATOM 1809 H GLY A 811 2.967 6.199 -11.232 1.00 0.00 H ATOM 1810 N GLU A 812 4.256 9.014 -10.482 1.00 28.08 N ATOM 1811 CA GLU A 812 4.369 10.457 -10.266 1.00 28.59 C ATOM 1812 C GLU A 812 2.996 10.942 -9.782 1.00 31.98 C ATOM 1813 O GLU A 812 2.093 11.182 -10.582 1.00 32.83 O ATOM 1814 CB GLU A 812 4.809 11.169 -11.553 1.00 30.94 C ATOM 1815 H GLU A 812 3.674 8.668 -11.272 1.00 0.00 H ATOM 1816 N ALA A 813 2.816 11.021 -8.470 1.00 26.16 N ATOM 1817 CA ALA A 813 1.514 11.432 -7.946 1.00 26.45 C ATOM 1818 C ALA A 813 1.296 12.945 -8.124 1.00 32.03 C ATOM 1819 O ALA A 813 2.243 13.723 -7.983 1.00 29.68 O ATOM 1820 CB ALA A 813 1.394 11.071 -6.484 1.00 27.34 C ATOM 1821 H ALA A 813 3.595 10.792 -7.819 1.00 0.00 H ATOM 1822 N PRO A 814 0.067 13.398 -8.444 1.00 31.02 N ATOM 1823 CA PRO A 814 -0.159 14.853 -8.540 1.00 31.27 C ATOM 1824 C PRO A 814 0.151 15.533 -7.193 1.00 34.58 C ATOM 1825 O PRO A 814 0.069 14.877 -6.142 1.00 35.49 O ATOM 1826 CB PRO A 814 -1.649 14.945 -8.913 1.00 33.49 C ATOM 1827 CG PRO A 814 -2.006 13.590 -9.479 1.00 38.76 C ATOM 1828 CD PRO A 814 -1.188 12.641 -8.648 1.00 33.57 C ATOM 1829 N LEU A 815 0.591 16.821 -7.201 1.00 28.89 N ATOM 1830 CA LEU A 815 0.891 17.612 -5.981 1.00 29.64 C ATOM 1831 C LEU A 815 2.118 17.202 -5.190 1.00 40.58 C ATOM 1832 O LEU A 815 2.613 18.018 -4.408 1.00 39.71 O ATOM 1833 CB LEU A 815 -0.295 17.652 -4.999 1.00 28.02 C ATOM 1834 CG LEU A 815 -1.608 18.259 -5.425 1.00 30.21 C ATOM 1835 CD1 LEU A 815 -2.529 18.312 -4.239 1.00 28.39 C ATOM 1836 CD2 LEU A 815 -1.427 19.684 -5.944 1.00 35.94 C ATOM 1837 H LEU A 815 0.726 17.282 -8.123 1.00 0.00 H ATOM 1838 N GLN A 816 2.572 15.930 -5.331 1.00 41.67 N ATOM 1839 CA GLN A 816 3.719 15.348 -4.602 1.00 43.94 C ATOM 1840 C GLN A 816 4.970 16.264 -4.503 1.00 53.38 C ATOM 1841 O GLN A 816 5.750 16.129 -3.556 1.00 55.58 O ATOM 1842 CB GLN A 816 4.107 13.979 -5.188 1.00 44.39 C ATOM 1843 H GLN A 816 2.073 15.316 -6.006 1.00 0.00 H ATOM 1844 N SER A 817 5.140 17.193 -5.456 1.00 50.10 N ATOM 1845 CA SER A 817 6.269 18.123 -5.512 1.00 49.97 C ATOM 1846 C SER A 817 5.985 19.508 -4.902 1.00 53.23 C ATOM 1847 O SER A 817 6.941 20.215 -4.561 1.00 53.72 O ATOM 1848 CB SER A 817 6.720 18.304 -6.958 1.00 54.64 C ATOM 1849 H SER A 817 4.421 17.257 -6.205 1.00 0.00 H ATOM 1850 N ARG A 818 4.695 19.914 -4.815 1.00 45.96 N ATOM 1851 CA ARG A 818 4.272 21.219 -4.281 1.00 43.60 C ATOM 1852 C ARG A 818 4.718 21.465 -2.838 1.00 45.30 C ATOM 1853 O ARG A 818 4.945 20.523 -2.079 1.00 44.91 O ATOM 1854 CB ARG A 818 2.747 21.427 -4.431 1.00 40.98 C ATOM 1855 CG ARG A 818 2.182 21.354 -5.866 1.00 44.96 C ATOM 1856 CD ARG A 818 2.611 22.509 -6.771 1.00 47.95 C ATOM 1857 NE ARG A 818 3.823 22.166 -7.519 1.00 58.67 N ATOM 1858 CZ ARG A 818 4.360 22.933 -8.457 1.00 71.28 C ATOM 1859 HE ARG A 818 4.292 21.264 -7.300 1.00 0.00 H ATOM 1860 H ARG A 818 3.956 19.262 -5.147 1.00 0.00 H ATOM 1861 N SER A 819 4.839 22.743 -2.455 1.00 40.74 N ATOM 1862 CA SER A 819 5.252 23.142 -1.107 1.00 39.36 C ATOM 1863 C SER A 819 4.109 22.844 -0.110 1.00 40.63 C ATOM 1864 O SER A 819 2.957 22.700 -0.538 1.00 40.18 O ATOM 1865 CB SER A 819 5.588 24.637 -1.075 1.00 41.87 C ATOM 1866 OG SER A 819 4.422 25.433 -1.220 1.00 44.87 O ATOM 1867 HG SER A 819 3.988 25.226 -2.086 1.00 0.00 H ATOM 1868 H SER A 819 4.629 23.489 -3.149 1.00 0.00 H ATOM 1869 N PRO A 820 4.403 22.783 1.207 1.00 36.07 N ATOM 1870 CA PRO A 820 3.337 22.510 2.195 1.00 35.24 C ATOM 1871 C PRO A 820 2.147 23.464 2.134 1.00 38.73 C ATOM 1872 O PRO A 820 0.993 23.018 2.156 1.00 37.28 O ATOM 1873 CB PRO A 820 4.074 22.635 3.534 1.00 37.60 C ATOM 1874 CG PRO A 820 5.500 22.285 3.212 1.00 41.34 C ATOM 1875 CD PRO A 820 5.730 22.877 1.857 1.00 36.83 C ATOM 1876 N SER A 821 2.425 24.786 2.022 1.00 34.83 N ATOM 1877 CA SER A 821 1.390 25.812 1.947 1.00 34.22 C ATOM 1878 C SER A 821 0.546 25.681 0.679 1.00 33.99 C ATOM 1879 O SER A 821 -0.662 25.886 0.755 1.00 32.55 O ATOM 1880 CB SER A 821 1.992 27.207 2.084 1.00 38.75 C ATOM 1881 OG SER A 821 2.734 27.547 0.924 1.00 52.38 O ATOM 1882 HG SER A 821 3.116 28.454 1.032 1.00 0.00 H ATOM 1883 H SER A 821 3.421 25.083 1.988 1.00 0.00 H ATOM 1884 N GLU A 822 1.164 25.287 -0.466 1.00 30.24 N ATOM 1885 CA GLU A 822 0.456 25.067 -1.735 1.00 29.99 C ATOM 1886 C GLU A 822 -0.480 23.857 -1.608 1.00 30.49 C ATOM 1887 O GLU A 822 -1.607 23.909 -2.087 1.00 28.75 O ATOM 1888 CB GLU A 822 1.441 24.860 -2.905 1.00 32.49 C ATOM 1889 CG GLU A 822 2.098 26.146 -3.400 1.00 43.92 C ATOM 1890 CD GLU A 822 3.298 26.026 -4.336 1.00 69.56 C ATOM 1891 OE1 GLU A 822 3.913 24.936 -4.420 1.00 45.91 O ATOM 1892 OE2 GLU A 822 3.640 27.049 -4.972 1.00 71.81 O ATOM 1893 H GLU A 822 2.192 25.133 -0.443 1.00 0.00 H ATOM 1894 N LYS A 823 -0.009 22.774 -0.960 1.00 26.73 N ATOM 1895 CA LYS A 823 -0.790 21.545 -0.707 1.00 27.05 C ATOM 1896 C LYS A 823 -1.977 21.847 0.206 1.00 28.29 C ATOM 1897 O LYS A 823 -3.108 21.434 -0.081 1.00 26.30 O ATOM 1898 CB LYS A 823 0.112 20.456 -0.076 1.00 29.52 C ATOM 1899 CG LYS A 823 1.141 19.886 -1.044 1.00 32.53 C ATOM 1900 CD LYS A 823 2.197 19.063 -0.265 1.00 38.66 C ATOM 1901 CE LYS A 823 2.597 17.828 -1.006 1.00 46.98 C ATOM 1902 NZ LYS A 823 3.326 16.878 -0.137 1.00 48.34 N ATOM 1903 HZ1 LYS A 823 4.187 17.334 0.228 1.00 0.00 H ATOM 1904 HZ2 LYS A 823 2.716 16.599 0.658 1.00 0.00 H ATOM 1905 HZ3 LYS A 823 3.586 16.035 -0.688 1.00 0.00 H ATOM 1906 H LYS A 823 0.971 22.805 -0.614 1.00 0.00 H ATOM 1907 N GLU A 824 -1.743 22.624 1.280 1.00 26.56 N ATOM 1908 CA GLU A 824 -2.826 22.983 2.223 1.00 27.62 C ATOM 1909 C GLU A 824 -3.871 23.864 1.574 1.00 30.25 C ATOM 1910 O GLU A 824 -5.062 23.690 1.829 1.00 28.80 O ATOM 1911 CB GLU A 824 -2.282 23.684 3.471 1.00 30.03 C ATOM 1912 CG GLU A 824 -1.362 22.809 4.302 1.00 41.17 C ATOM 1913 CD GLU A 824 -0.914 23.473 5.585 1.00 62.96 C ATOM 1914 OE1 GLU A 824 -1.803 23.868 6.369 1.00 47.64 O ATOM 1915 OE2 GLU A 824 0.312 23.645 5.786 1.00 57.40 O ATOM 1916 H GLU A 824 -0.781 22.980 1.451 1.00 0.00 H ATOM 1917 N HIS A 825 -3.438 24.787 0.692 1.00 28.41 N ATOM 1918 CA HIS A 825 -4.389 25.656 -0.009 1.00 28.09 C ATOM 1919 C HIS A 825 -5.277 24.839 -0.957 1.00 28.55 C ATOM 1920 O HIS A 825 -6.491 25.043 -0.999 1.00 27.16 O ATOM 1921 CB HIS A 825 -3.645 26.753 -0.772 1.00 30.59 C ATOM 1922 CG HIS A 825 -4.571 27.735 -1.413 1.00 34.52 C ATOM 1923 ND1 HIS A 825 -4.890 27.648 -2.750 1.00 36.69 N ATOM 1924 CD2 HIS A 825 -5.228 28.785 -0.872 1.00 36.91 C ATOM 1925 CE1 HIS A 825 -5.721 28.649 -2.987 1.00 35.99 C ATOM 1926 NE2 HIS A 825 -5.970 29.350 -1.879 1.00 36.73 N ATOM 1927 H HIS A 825 -2.419 24.884 0.507 1.00 0.00 H ATOM 1928 N PHE A 826 -4.678 23.873 -1.686 1.00 24.19 N ATOM 1929 CA PHE A 826 -5.414 22.996 -2.587 1.00 21.25 C ATOM 1930 C PHE A 826 -6.555 22.346 -1.822 1.00 23.84 C ATOM 1931 O PHE A 826 -7.679 22.403 -2.276 1.00 23.75 O ATOM 1932 CB PHE A 826 -4.456 21.930 -3.177 1.00 21.75 C ATOM 1933 CG PHE A 826 -4.967 21.228 -4.411 1.00 21.71 C ATOM 1934 CD1 PHE A 826 -5.774 20.102 -4.309 1.00 23.51 C ATOM 1935 CD2 PHE A 826 -4.619 21.681 -5.685 1.00 23.48 C ATOM 1936 CE1 PHE A 826 -6.219 19.426 -5.460 1.00 23.61 C ATOM 1937 CE2 PHE A 826 -5.072 21.019 -6.830 1.00 25.82 C ATOM 1938 CZ PHE A 826 -5.880 19.903 -6.712 1.00 23.66 C ATOM 1939 H PHE A 826 -3.649 23.750 -1.601 1.00 0.00 H ATOM 1940 N TYR A 827 -6.283 21.771 -0.626 1.00 22.43 N ATOM 1941 CA TYR A 827 -7.330 21.144 0.184 1.00 21.64 C ATOM 1942 C TYR A 827 -8.314 22.183 0.747 1.00 22.62 C ATOM 1943 O TYR A 827 -9.511 21.937 0.764 1.00 22.13 O ATOM 1944 CB TYR A 827 -6.702 20.324 1.330 1.00 22.31 C ATOM 1945 CG TYR A 827 -6.258 18.913 0.953 1.00 22.33 C ATOM 1946 CD1 TYR A 827 -5.988 18.568 -0.374 1.00 23.89 C ATOM 1947 CD2 TYR A 827 -6.148 17.912 1.921 1.00 22.39 C ATOM 1948 CE1 TYR A 827 -5.613 17.257 -0.725 1.00 22.15 C ATOM 1949 CE2 TYR A 827 -5.764 16.606 1.584 1.00 23.27 C ATOM 1950 CZ TYR A 827 -5.485 16.285 0.265 1.00 26.14 C ATOM 1951 OH TYR A 827 -5.078 15.004 -0.047 1.00 25.57 O ATOM 1952 HH TYR A 827 -5.782 14.361 0.219 1.00 0.00 H ATOM 1953 H TYR A 827 -5.305 21.775 -0.273 1.00 0.00 H ATOM 1954 N GLN A 828 -7.814 23.292 1.249 1.00 22.62 N ATOM 1955 CA GLN A 828 -8.663 24.358 1.868 1.00 24.73 C ATOM 1956 C GLN A 828 -9.716 24.886 0.891 1.00 29.90 C ATOM 1957 O GLN A 828 -10.867 25.069 1.258 1.00 31.85 O ATOM 1958 CB GLN A 828 -7.776 25.495 2.418 1.00 26.57 C ATOM 1959 CG GLN A 828 -7.072 25.118 3.728 1.00 51.30 C ATOM 1960 H GLN A 828 -6.784 23.434 1.214 1.00 0.00 H ATOM 1961 N ARG A 829 -9.343 25.022 -0.378 1.00 26.22 N ATOM 1962 CA ARG A 829 -10.222 25.479 -1.440 1.00 25.97 C ATOM 1963 C ARG A 829 -11.019 24.376 -2.081 1.00 28.84 C ATOM 1964 O ARG A 829 -11.884 24.634 -2.913 1.00 26.97 O ATOM 1965 CB ARG A 829 -9.422 26.263 -2.472 1.00 25.18 C ATOM 1966 CG ARG A 829 -8.926 27.602 -1.905 1.00 36.97 C ATOM 1967 CD ARG A 829 -10.103 28.537 -1.575 1.00 47.52 C ATOM 1968 NE ARG A 829 -9.678 29.910 -1.320 1.00 63.47 N ATOM 1969 CZ ARG A 829 -9.627 30.478 -0.119 1.00 84.03 C ATOM 1970 NH1 ARG A 829 -9.996 29.799 0.961 1.00 69.61 N ATOM 1971 NH2 ARG A 829 -9.223 31.734 0.009 1.00 76.17 N ATOM 1972 HE ARG A 829 -9.394 30.486 -2.138 1.00 0.00 H ATOM 1973 HH12 ARG A 829 -9.954 30.249 1.898 1.00 0.00 H ATOM 1974 HH11 ARG A 829 -10.327 28.817 0.870 1.00 0.00 H ATOM 1975 HH22 ARG A 829 -9.185 32.175 0.950 1.00 0.00 H ATOM 1976 HH21 ARG A 829 -8.944 32.279 -0.832 1.00 0.00 H ATOM 1977 H ARG A 829 -8.361 24.786 -0.625 1.00 0.00 H ATOM 1978 N GLN A 830 -10.709 23.126 -1.714 1.00 24.29 N ATOM 1979 CA GLN A 830 -11.361 21.936 -2.238 1.00 22.99 C ATOM 1980 C GLN A 830 -11.198 21.835 -3.769 1.00 23.73 C ATOM 1981 O GLN A 830 -12.095 21.385 -4.499 1.00 20.22 O ATOM 1982 CB GLN A 830 -12.826 21.785 -1.752 1.00 25.29 C ATOM 1983 CG GLN A 830 -12.927 21.870 -0.194 1.00 28.04 C ATOM 1984 CD GLN A 830 -14.165 21.260 0.435 1.00 46.09 C ATOM 1985 OE1 GLN A 830 -14.221 21.040 1.648 1.00 53.31 O ATOM 1986 NE2 GLN A 830 -15.150 20.881 -0.351 1.00 31.24 N ATOM 1987 HE22 GLN A 830 -15.101 21.067 -1.373 1.00 0.00 H ATOM 1988 HE21 GLN A 830 -15.978 20.395 0.050 1.00 0.00 H ATOM 1989 H GLN A 830 -9.954 22.998 -1.010 1.00 0.00 H ATOM 1990 N HIS A 831 -9.993 22.158 -4.238 1.00 20.74 N ATOM 1991 CA HIS A 831 -9.630 21.939 -5.643 1.00 21.54 C ATOM 1992 C HIS A 831 -9.589 20.411 -5.832 1.00 23.36 C ATOM 1993 O HIS A 831 -9.411 19.675 -4.847 1.00 23.96 O ATOM 1994 CB HIS A 831 -8.252 22.556 -5.933 1.00 23.29 C ATOM 1995 CG HIS A 831 -8.235 24.064 -5.936 1.00 27.81 C ATOM 1996 ND1 HIS A 831 -9.408 24.814 -6.013 1.00 30.53 N ATOM 1997 CD2 HIS A 831 -7.187 24.912 -5.878 1.00 28.45 C ATOM 1998 CE1 HIS A 831 -9.027 26.086 -6.003 1.00 29.10 C ATOM 1999 NE2 HIS A 831 -7.706 26.194 -5.884 1.00 29.18 N ATOM 2000 H HIS A 831 -9.293 22.576 -3.592 1.00 0.00 H ATOM 2001 N ARG A 832 -9.810 19.933 -7.045 1.00 21.56 N ATOM 2002 CA ARG A 832 -9.878 18.487 -7.238 1.00 22.76 C ATOM 2003 C ARG A 832 -8.706 17.983 -8.039 1.00 24.96 C ATOM 2004 O ARG A 832 -8.166 18.684 -8.891 1.00 21.84 O ATOM 2005 CB ARG A 832 -11.208 18.097 -7.874 1.00 26.52 C ATOM 2006 CG ARG A 832 -12.380 18.317 -6.911 1.00 35.62 C ATOM 2007 CD ARG A 832 -13.669 17.755 -7.449 1.00 39.71 C ATOM 2008 NE ARG A 832 -14.279 18.624 -8.444 1.00 40.54 N ATOM 2009 CZ ARG A 832 -15.237 18.231 -9.274 1.00 65.76 C ATOM 2010 NH1 ARG A 832 -15.664 16.974 -9.259 1.00 56.59 N ATOM 2011 NH2 ARG A 832 -15.769 19.088 -10.133 1.00 57.44 N ATOM 2012 HE ARG A 832 -13.946 19.607 -8.508 1.00 0.00 H ATOM 2013 HH12 ARG A 832 -16.415 16.672 -9.912 1.00 0.00 H ATOM 2014 HH11 ARG A 832 -15.247 16.291 -8.594 1.00 0.00 H ATOM 2015 HH22 ARG A 832 -16.520 18.776 -10.782 1.00 0.00 H ATOM 2016 HH21 ARG A 832 -15.436 20.073 -10.159 1.00 0.00 H ATOM 2017 H ARG A 832 -9.934 20.578 -7.851 1.00 0.00 H ATOM 2018 N LEU A 833 -8.264 16.775 -7.709 1.00 21.78 N ATOM 2019 CA LEU A 833 -7.144 16.150 -8.395 1.00 19.73 C ATOM 2020 C LEU A 833 -7.476 15.845 -9.857 1.00 23.30 C ATOM 2021 O LEU A 833 -8.657 15.719 -10.224 1.00 21.81 O ATOM 2022 CB LEU A 833 -6.708 14.886 -7.596 1.00 20.47 C ATOM 2023 CG LEU A 833 -6.098 15.184 -6.232 1.00 24.82 C ATOM 2024 CD1 LEU A 833 -6.026 13.937 -5.365 1.00 26.26 C ATOM 2025 CD2 LEU A 833 -4.747 15.874 -6.349 1.00 23.45 C ATOM 2026 H LEU A 833 -8.733 16.260 -6.937 1.00 0.00 H ATOM 2027 N PRO A 834 -6.446 15.737 -10.719 1.00 23.29 N ATOM 2028 CA PRO A 834 -6.709 15.470 -12.147 1.00 23.45 C ATOM 2029 C PRO A 834 -7.359 14.124 -12.409 1.00 29.30 C ATOM 2030 O PRO A 834 -7.277 13.217 -11.564 1.00 27.04 O ATOM 2031 CB PRO A 834 -5.321 15.475 -12.788 1.00 25.47 C ATOM 2032 CG PRO A 834 -4.369 15.999 -11.771 1.00 30.75 C ATOM 2033 CD PRO A 834 -4.995 15.846 -10.428 1.00 25.50 C ATOM 2034 N GLU A 835 -7.977 13.985 -13.590 1.00 27.10 N ATOM 2035 CA GLU A 835 -8.561 12.727 -14.025 1.00 28.84 C ATOM 2036 C GLU A 835 -7.385 11.791 -14.356 1.00 36.38 C ATOM 2037 O GLU A 835 -6.333 12.269 -14.803 1.00 37.35 O ATOM 2038 CB GLU A 835 -9.447 12.944 -15.264 1.00 30.71 C ATOM 2039 H GLU A 835 -8.041 14.810 -14.220 1.00 0.00 H ATOM 2040 N PRO A 836 -7.488 10.480 -14.083 1.00 34.37 N ATOM 2041 CA PRO A 836 -6.351 9.587 -14.386 1.00 35.66 C ATOM 2042 C PRO A 836 -6.160 9.413 -15.887 1.00 42.76 C ATOM 2043 O PRO A 836 -7.099 9.647 -16.657 1.00 41.19 O ATOM 2044 CB PRO A 836 -6.761 8.262 -13.735 1.00 37.47 C ATOM 2045 CG PRO A 836 -8.244 8.286 -13.720 1.00 40.98 C ATOM 2046 CD PRO A 836 -8.637 9.731 -13.537 1.00 36.25 C ATOM 2047 N SER A 837 -4.944 8.979 -16.289 1.00 41.93 N ATOM 2048 CA SER A 837 -4.596 8.685 -17.680 1.00 43.08 C ATOM 2049 C SER A 837 -5.232 7.333 -18.132 1.00 49.46 C ATOM 2050 O SER A 837 -5.260 7.046 -19.328 1.00 48.70 O ATOM 2051 CB SER A 837 -3.078 8.685 -17.864 1.00 46.20 C ATOM 2052 OG SER A 837 -2.445 7.754 -17.000 1.00 55.17 O ATOM 2053 HG SER A 837 -1.466 7.782 -17.147 1.00 0.00 H ATOM 2054 H SER A 837 -4.210 8.846 -15.564 1.00 0.00 H ATOM 2055 N CYS A 838 -5.723 6.506 -17.174 1.00 47.93 N ATOM 2056 CA CYS A 838 -6.434 5.253 -17.453 1.00 48.98 C ATOM 2057 C CYS A 838 -7.908 5.668 -17.592 1.00 48.03 C ATOM 2058 O CYS A 838 -8.509 6.034 -16.578 1.00 47.62 O ATOM 2059 CB CYS A 838 -6.265 4.244 -16.317 1.00 51.44 C ATOM 2060 SG CYS A 838 -4.548 3.770 -15.961 1.00 56.88 S ATOM 2061 H CYS A 838 -5.587 6.778 -16.179 1.00 0.00 H ATOM 2062 N PRO A 839 -8.516 5.657 -18.799 1.00 42.61 N ATOM 2063 CA PRO A 839 -9.911 6.123 -18.920 1.00 40.92 C ATOM 2064 C PRO A 839 -10.932 5.290 -18.161 1.00 41.81 C ATOM 2065 O PRO A 839 -11.940 5.827 -17.698 1.00 41.21 O ATOM 2066 CB PRO A 839 -10.171 6.116 -20.434 1.00 43.37 C ATOM 2067 CG PRO A 839 -8.821 6.006 -21.074 1.00 49.13 C ATOM 2068 CD PRO A 839 -7.980 5.238 -20.113 1.00 44.99 C ATOM 2069 N GLN A 840 -10.655 3.989 -17.997 1.00 36.37 N ATOM 2070 CA GLN A 840 -11.555 3.093 -17.274 1.00 35.90 C ATOM 2071 C GLN A 840 -11.596 3.382 -15.761 1.00 38.27 C ATOM 2072 O GLN A 840 -12.514 2.924 -15.084 1.00 40.34 O ATOM 2073 CB GLN A 840 -11.190 1.639 -17.543 1.00 36.49 C ATOM 2074 CG GLN A 840 -11.657 1.168 -18.916 1.00 43.49 C ATOM 2075 CD GLN A 840 -11.763 -0.337 -18.983 1.00 56.29 C ATOM 2076 OE1 GLN A 840 -10.823 -1.062 -18.632 1.00 49.52 O ATOM 2077 NE2 GLN A 840 -12.906 -0.835 -19.460 1.00 43.97 N ATOM 2078 HE22 GLN A 840 -13.674 -0.194 -19.745 1.00 0.00 H ATOM 2079 HE21 GLN A 840 -13.029 -1.864 -19.547 1.00 0.00 H ATOM 2080 H GLN A 840 -9.774 3.606 -18.396 1.00 0.00 H ATOM 2081 N LEU A 841 -10.632 4.166 -15.245 1.00 31.22 N ATOM 2082 CA LEU A 841 -10.577 4.509 -13.821 1.00 30.29 C ATOM 2083 C LEU A 841 -11.116 5.921 -13.485 1.00 33.05 C ATOM 2084 O LEU A 841 -11.270 6.226 -12.301 1.00 30.77 O ATOM 2085 CB LEU A 841 -9.146 4.318 -13.261 1.00 29.69 C ATOM 2086 CG LEU A 841 -8.619 2.858 -13.175 1.00 35.52 C ATOM 2087 CD1 LEU A 841 -7.201 2.828 -12.651 1.00 34.72 C ATOM 2088 CD2 LEU A 841 -9.482 1.997 -12.281 1.00 38.83 C ATOM 2089 H LEU A 841 -9.899 4.542 -15.880 1.00 0.00 H ATOM 2090 N ALA A 842 -11.430 6.768 -14.508 1.00 30.45 N ATOM 2091 CA ALA A 842 -11.886 8.153 -14.285 1.00 30.37 C ATOM 2092 C ALA A 842 -13.107 8.301 -13.355 1.00 33.99 C ATOM 2093 O ALA A 842 -13.073 9.118 -12.427 1.00 32.91 O ATOM 2094 CB ALA A 842 -12.139 8.847 -15.613 1.00 31.75 C ATOM 2095 H ALA A 842 -11.344 6.423 -15.485 1.00 0.00 H ATOM 2096 N THR A 843 -14.173 7.519 -13.579 1.00 28.86 N ATOM 2097 CA THR A 843 -15.375 7.598 -12.745 1.00 28.82 C ATOM 2098 C THR A 843 -15.027 7.202 -11.317 1.00 32.47 C ATOM 2099 O THR A 843 -15.321 7.939 -10.386 1.00 31.22 O ATOM 2100 CB THR A 843 -16.490 6.727 -13.349 1.00 35.07 C ATOM 2101 OG1 THR A 843 -16.895 7.356 -14.560 1.00 38.36 O ATOM 2102 CG2 THR A 843 -17.696 6.571 -12.416 1.00 34.35 C ATOM 2103 HG1 THR A 843 -16.122 7.413 -15.175 1.00 0.00 H ATOM 2104 H THR A 843 -14.146 6.839 -14.365 1.00 0.00 H ATOM 2105 N LEU A 844 -14.387 6.048 -11.162 1.00 29.57 N ATOM 2106 CA LEU A 844 -14.019 5.514 -9.856 1.00 29.93 C ATOM 2107 C LEU A 844 -13.115 6.461 -9.054 1.00 29.48 C ATOM 2108 O LEU A 844 -13.396 6.702 -7.881 1.00 30.59 O ATOM 2109 CB LEU A 844 -13.376 4.133 -10.043 1.00 31.48 C ATOM 2110 CG LEU A 844 -13.058 3.361 -8.789 1.00 37.98 C ATOM 2111 CD1 LEU A 844 -14.347 2.831 -8.146 1.00 38.54 C ATOM 2112 CD2 LEU A 844 -12.070 2.227 -9.112 1.00 41.58 C ATOM 2113 H LEU A 844 -14.137 5.501 -12.010 1.00 0.00 H ATOM 2114 N THR A 845 -12.077 7.028 -9.670 1.00 25.60 N ATOM 2115 CA THR A 845 -11.162 7.949 -8.959 1.00 25.72 C ATOM 2116 C THR A 845 -11.875 9.203 -8.536 1.00 29.85 C ATOM 2117 O THR A 845 -11.687 9.649 -7.406 1.00 28.78 O ATOM 2118 CB THR A 845 -9.892 8.271 -9.759 1.00 33.81 C ATOM 2119 OG1 THR A 845 -10.278 8.924 -10.978 1.00 34.12 O ATOM 2120 CG2 THR A 845 -9.035 7.025 -10.041 1.00 27.44 C ATOM 2121 HG1 THR A 845 -10.865 8.323 -11.501 1.00 0.00 H ATOM 2122 H THR A 845 -11.906 6.818 -10.674 1.00 0.00 H ATOM 2123 N SER A 846 -12.741 9.751 -9.410 1.00 27.83 N ATOM 2124 CA SER A 846 -13.535 10.934 -9.076 1.00 28.67 C ATOM 2125 C SER A 846 -14.441 10.662 -7.868 1.00 32.79 C ATOM 2126 O SER A 846 -14.532 11.525 -6.993 1.00 34.49 O ATOM 2127 CB SER A 846 -14.381 11.380 -10.269 1.00 35.13 C ATOM 2128 OG SER A 846 -15.156 12.514 -9.913 1.00 48.45 O ATOM 2129 HG SER A 846 -15.752 12.281 -9.158 1.00 0.00 H ATOM 2130 H SER A 846 -12.849 9.320 -10.351 1.00 0.00 H ATOM 2131 N GLN A 847 -15.037 9.455 -7.780 1.00 26.26 N ATOM 2132 CA GLN A 847 -15.919 9.068 -6.664 1.00 26.42 C ATOM 2133 C GLN A 847 -15.140 8.896 -5.349 1.00 28.02 C ATOM 2134 O GLN A 847 -15.646 9.219 -4.281 1.00 24.86 O ATOM 2135 CB GLN A 847 -16.662 7.759 -7.007 1.00 28.44 C ATOM 2136 CG GLN A 847 -17.715 7.915 -8.115 1.00 35.26 C ATOM 2137 CD GLN A 847 -18.299 6.596 -8.578 1.00 50.93 C ATOM 2138 OE1 GLN A 847 -17.593 5.619 -8.851 1.00 38.23 O ATOM 2139 NE2 GLN A 847 -19.613 6.558 -8.727 1.00 56.28 N ATOM 2140 HE22 GLN A 847 -20.187 7.392 -8.491 1.00 0.00 H ATOM 2141 HE21 GLN A 847 -20.072 5.694 -9.080 1.00 0.00 H ATOM 2142 H GLN A 847 -14.866 8.763 -8.537 1.00 0.00 H ATOM 2143 N CYS A 848 -13.933 8.331 -5.420 1.00 25.63 N ATOM 2144 CA CYS A 848 -13.104 8.147 -4.218 1.00 23.71 C ATOM 2145 C CYS A 848 -12.558 9.480 -3.743 1.00 24.25 C ATOM 2146 O CYS A 848 -12.408 9.679 -2.551 1.00 23.89 O ATOM 2147 CB CYS A 848 -11.966 7.172 -4.500 1.00 24.28 C ATOM 2148 SG CYS A 848 -12.508 5.469 -4.775 1.00 28.54 S ATOM 2149 H CYS A 848 -13.571 8.015 -6.342 1.00 0.00 H ATOM 2150 N LEU A 849 -12.199 10.367 -4.678 1.00 19.77 N ATOM 2151 CA LEU A 849 -11.558 11.645 -4.371 1.00 19.48 C ATOM 2152 C LEU A 849 -12.575 12.782 -4.202 1.00 25.34 C ATOM 2153 O LEU A 849 -12.403 13.866 -4.755 1.00 25.30 O ATOM 2154 CB LEU A 849 -10.467 11.973 -5.404 1.00 20.01 C ATOM 2155 CG LEU A 849 -9.304 10.977 -5.461 1.00 22.73 C ATOM 2156 CD1 LEU A 849 -8.483 11.157 -6.740 1.00 22.36 C ATOM 2157 CD2 LEU A 849 -8.406 11.103 -4.217 1.00 24.14 C ATOM 2158 H LEU A 849 -12.385 10.136 -5.675 1.00 0.00 H ATOM 2159 N THR A 850 -13.592 12.522 -3.388 1.00 23.19 N ATOM 2160 CA THR A 850 -14.641 13.490 -3.041 1.00 23.56 C ATOM 2161 C THR A 850 -14.338 13.936 -1.634 1.00 26.42 C ATOM 2162 O THR A 850 -14.010 13.121 -0.761 1.00 25.58 O ATOM 2163 CB THR A 850 -16.073 12.916 -3.148 1.00 37.43 C ATOM 2164 OG1 THR A 850 -16.282 11.924 -2.142 1.00 43.47 O ATOM 2165 CG2 THR A 850 -16.385 12.355 -4.516 1.00 32.88 C ATOM 2166 HG1 THR A 850 -16.161 12.332 -1.248 1.00 0.00 H ATOM 2167 H THR A 850 -13.649 11.572 -2.969 1.00 0.00 H ATOM 2168 N TYR A 851 -14.449 15.245 -1.403 1.00 23.57 N ATOM 2169 CA TYR A 851 -14.156 15.825 -0.106 1.00 23.51 C ATOM 2170 C TYR A 851 -15.111 15.342 0.967 1.00 28.91 C ATOM 2171 O TYR A 851 -14.657 15.038 2.073 1.00 30.21 O ATOM 2172 CB TYR A 851 -14.136 17.344 -0.224 1.00 23.91 C ATOM 2173 CG TYR A 851 -12.818 17.834 -0.762 1.00 24.13 C ATOM 2174 CD1 TYR A 851 -12.570 17.870 -2.134 1.00 24.44 C ATOM 2175 CD2 TYR A 851 -11.812 18.251 0.096 1.00 24.45 C ATOM 2176 CE1 TYR A 851 -11.335 18.269 -2.630 1.00 23.93 C ATOM 2177 CE2 TYR A 851 -10.570 18.640 -0.390 1.00 25.13 C ATOM 2178 CZ TYR A 851 -10.344 18.658 -1.754 1.00 27.45 C ATOM 2179 OH TYR A 851 -9.132 19.090 -2.218 1.00 24.74 O ATOM 2180 HH TYR A 851 -9.123 19.045 -3.207 1.00 0.00 H ATOM 2181 H TYR A 851 -14.755 15.869 -2.177 1.00 0.00 H ATOM 2182 N GLU A 852 -16.406 15.172 0.629 1.00 28.08 N ATOM 2183 CA GLU A 852 -17.387 14.670 1.613 1.00 28.54 C ATOM 2184 C GLU A 852 -17.152 13.151 1.854 1.00 30.62 C ATOM 2185 O GLU A 852 -17.433 12.367 0.932 1.00 28.79 O ATOM 2186 CB GLU A 852 -18.833 14.944 1.129 1.00 30.42 C ATOM 2187 CG GLU A 852 -19.888 14.383 2.086 1.00 37.88 C ATOM 2188 CD GLU A 852 -19.684 14.702 3.557 1.00 50.02 C ATOM 2189 OE1 GLU A 852 -19.430 15.883 3.883 1.00 46.97 O ATOM 2190 OE2 GLU A 852 -19.745 13.762 4.383 1.00 47.23 O ATOM 2191 H GLU A 852 -16.718 15.397 -0.337 1.00 0.00 H ATOM 2192 N PRO A 853 -16.658 12.718 3.051 1.00 29.12 N ATOM 2193 CA PRO A 853 -16.344 11.281 3.240 1.00 28.71 C ATOM 2194 C PRO A 853 -17.494 10.316 3.008 1.00 32.96 C ATOM 2195 O PRO A 853 -17.258 9.242 2.481 1.00 30.62 O ATOM 2196 CB PRO A 853 -15.844 11.180 4.685 1.00 30.36 C ATOM 2197 CG PRO A 853 -15.538 12.567 5.106 1.00 35.36 C ATOM 2198 CD PRO A 853 -16.289 13.520 4.239 1.00 30.74 C ATOM 2199 N THR A 854 -18.741 10.713 3.378 1.00 28.30 N ATOM 2200 CA THR A 854 -19.931 9.876 3.228 1.00 28.53 C ATOM 2201 C THR A 854 -20.324 9.657 1.779 1.00 33.01 C ATOM 2202 O THR A 854 -21.105 8.745 1.505 1.00 35.51 O ATOM 2203 CB THR A 854 -21.104 10.414 4.071 1.00 35.89 C ATOM 2204 OG1 THR A 854 -21.404 11.735 3.631 1.00 33.26 O ATOM 2205 CG2 THR A 854 -20.803 10.401 5.554 1.00 35.46 C ATOM 2206 HG1 THR A 854 -20.607 12.310 3.751 1.00 0.00 H ATOM 2207 H THR A 854 -18.854 11.662 3.789 1.00 0.00 H ATOM 2208 N GLN A 855 -19.787 10.458 0.835 1.00 28.05 N ATOM 2209 CA GLN A 855 -20.100 10.266 -0.582 1.00 27.40 C ATOM 2210 C GLN A 855 -19.179 9.250 -1.257 1.00 30.62 C ATOM 2211 O GLN A 855 -19.433 8.860 -2.391 1.00 29.81 O ATOM 2212 CB GLN A 855 -20.072 11.596 -1.335 1.00 28.90 C ATOM 2213 CG GLN A 855 -21.315 12.461 -1.067 1.00 42.76 C ATOM 2214 CD GLN A 855 -21.190 13.869 -1.618 1.00 60.71 C ATOM 2215 OE1 GLN A 855 -20.461 14.142 -2.577 1.00 48.91 O ATOM 2216 NE2 GLN A 855 -21.904 14.802 -1.009 1.00 60.78 N ATOM 2217 HE22 GLN A 855 -22.511 14.549 -0.203 1.00 0.00 H ATOM 2218 HE21 GLN A 855 -21.858 15.788 -1.336 1.00 0.00 H ATOM 2219 H GLN A 855 -19.142 11.223 1.118 1.00 0.00 H ATOM 2220 N ARG A 856 -18.108 8.809 -0.563 1.00 25.89 N ATOM 2221 CA ARG A 856 -17.169 7.853 -1.165 1.00 24.46 C ATOM 2222 C ARG A 856 -17.793 6.446 -1.175 1.00 27.69 C ATOM 2223 O ARG A 856 -18.447 6.063 -0.190 1.00 28.19 O ATOM 2224 CB ARG A 856 -15.828 7.853 -0.412 1.00 21.02 C ATOM 2225 CG ARG A 856 -15.133 9.194 -0.493 1.00 20.78 C ATOM 2226 CD ARG A 856 -13.837 9.216 0.307 1.00 20.19 C ATOM 2227 NE ARG A 856 -13.500 10.604 0.612 1.00 21.23 N ATOM 2228 CZ ARG A 856 -12.957 11.025 1.743 1.00 25.67 C ATOM 2229 NH1 ARG A 856 -12.554 10.149 2.666 1.00 21.91 N ATOM 2230 NH2 ARG A 856 -12.763 12.319 1.945 1.00 21.64 N ATOM 2231 HE ARG A 856 -13.703 11.318 -0.117 1.00 0.00 H ATOM 2232 HH12 ARG A 856 -12.128 10.487 3.553 1.00 0.00 H ATOM 2233 HH11 ARG A 856 -12.666 9.129 2.499 1.00 0.00 H ATOM 2234 HH22 ARG A 856 -12.336 12.648 2.834 1.00 0.00 H ATOM 2235 HH21 ARG A 856 -13.037 13.006 1.214 1.00 0.00 H ATOM 2236 H ARG A 856 -17.946 9.149 0.406 1.00 0.00 H ATOM 2237 N PRO A 857 -17.628 5.662 -2.256 1.00 24.35 N ATOM 2238 CA PRO A 857 -18.248 4.324 -2.269 1.00 25.23 C ATOM 2239 C PRO A 857 -17.508 3.370 -1.327 1.00 29.23 C ATOM 2240 O PRO A 857 -16.346 3.617 -0.983 1.00 28.18 O ATOM 2241 CB PRO A 857 -18.124 3.894 -3.734 1.00 26.91 C ATOM 2242 CG PRO A 857 -16.979 4.648 -4.265 1.00 31.00 C ATOM 2243 CD PRO A 857 -16.889 5.934 -3.505 1.00 26.06 C ATOM 2244 N SER A 858 -18.159 2.295 -0.927 1.00 24.48 N ATOM 2245 CA SER A 858 -17.534 1.283 -0.080 1.00 23.52 C ATOM 2246 C SER A 858 -16.541 0.510 -0.937 1.00 24.35 C ATOM 2247 O SER A 858 -16.646 0.530 -2.174 1.00 21.88 O ATOM 2248 CB SER A 858 -18.594 0.319 0.448 1.00 25.33 C ATOM 2249 OG SER A 858 -19.067 -0.476 -0.624 1.00 23.96 O ATOM 2250 HG SER A 858 -19.755 -1.104 -0.289 1.00 0.00 H ATOM 2251 H SER A 858 -19.147 2.164 -1.224 1.00 0.00 H ATOM 2252 N PHE A 859 -15.606 -0.230 -0.296 1.00 22.77 N ATOM 2253 CA PHE A 859 -14.690 -1.062 -1.075 1.00 21.16 C ATOM 2254 C PHE A 859 -15.434 -2.231 -1.688 1.00 22.15 C ATOM 2255 O PHE A 859 -15.008 -2.735 -2.719 1.00 20.85 O ATOM 2256 CB PHE A 859 -13.472 -1.523 -0.252 1.00 22.60 C ATOM 2257 CG PHE A 859 -12.410 -0.449 -0.193 1.00 23.32 C ATOM 2258 CD1 PHE A 859 -11.697 -0.085 -1.338 1.00 25.65 C ATOM 2259 CD2 PHE A 859 -12.179 0.254 0.979 1.00 24.71 C ATOM 2260 CE1 PHE A 859 -10.755 0.952 -1.294 1.00 26.13 C ATOM 2261 CE2 PHE A 859 -11.218 1.268 1.027 1.00 27.24 C ATOM 2262 CZ PHE A 859 -10.530 1.623 -0.116 1.00 25.69 C ATOM 2263 H PHE A 859 -15.540 -0.207 0.742 1.00 0.00 H ATOM 2264 N ARG A 860 -16.594 -2.621 -1.107 1.00 21.38 N ATOM 2265 CA ARG A 860 -17.409 -3.684 -1.715 1.00 22.11 C ATOM 2266 C ARG A 860 -17.867 -3.196 -3.076 1.00 26.87 C ATOM 2267 O ARG A 860 -17.724 -3.928 -4.056 1.00 27.09 O ATOM 2268 CB ARG A 860 -18.636 -4.069 -0.843 1.00 22.82 C ATOM 2269 CG ARG A 860 -19.280 -5.364 -1.390 1.00 27.28 C ATOM 2270 CD ARG A 860 -20.662 -5.679 -0.836 1.00 42.88 C ATOM 2271 NE ARG A 860 -21.702 -4.838 -1.423 1.00 53.32 N ATOM 2272 HE ARG A 860 -21.452 -4.123 -2.136 1.00 0.00 H ATOM 2273 H ARG A 860 -16.910 -2.166 -0.227 1.00 0.00 H ATOM 2274 N THR A 861 -18.324 -1.922 -3.152 1.00 23.11 N ATOM 2275 CA THR A 861 -18.752 -1.299 -4.416 1.00 22.70 C ATOM 2276 C THR A 861 -17.571 -1.102 -5.367 1.00 28.55 C ATOM 2277 O THR A 861 -17.683 -1.397 -6.547 1.00 28.52 O ATOM 2278 CB THR A 861 -19.498 0.020 -4.124 1.00 29.15 C ATOM 2279 OG1 THR A 861 -20.674 -0.268 -3.349 1.00 26.14 O ATOM 2280 CG2 THR A 861 -19.897 0.795 -5.391 1.00 26.23 C ATOM 2281 HG1 THR A 861 -21.157 0.575 -3.159 1.00 0.00 H ATOM 2282 H THR A 861 -18.375 -1.359 -2.279 1.00 0.00 H ATOM 2283 N ILE A 862 -16.440 -0.584 -4.860 1.00 25.54 N ATOM 2284 CA ILE A 862 -15.247 -0.336 -5.676 1.00 23.13 C ATOM 2285 C ILE A 862 -14.779 -1.629 -6.324 1.00 27.16 C ATOM 2286 O ILE A 862 -14.540 -1.656 -7.544 1.00 27.52 O ATOM 2287 CB ILE A 862 -14.126 0.329 -4.823 1.00 24.68 C ATOM 2288 CG1 ILE A 862 -14.528 1.778 -4.430 1.00 24.34 C ATOM 2289 CG2 ILE A 862 -12.779 0.272 -5.570 1.00 24.80 C ATOM 2290 CD1 ILE A 862 -13.651 2.423 -3.314 1.00 26.67 C ATOM 2291 H ILE A 862 -16.409 -0.349 -3.847 1.00 0.00 H ATOM 2292 N LEU A 863 -14.621 -2.697 -5.505 1.00 24.93 N ATOM 2293 CA LEU A 863 -14.190 -3.988 -6.026 1.00 24.82 C ATOM 2294 C LEU A 863 -15.197 -4.506 -7.090 1.00 30.49 C ATOM 2295 O LEU A 863 -14.764 -4.903 -8.163 1.00 30.73 O ATOM 2296 CB LEU A 863 -13.975 -5.005 -4.889 1.00 24.67 C ATOM 2297 CG LEU A 863 -13.355 -6.354 -5.287 1.00 28.66 C ATOM 2298 CD1 LEU A 863 -11.935 -6.187 -5.887 1.00 27.84 C ATOM 2299 CD2 LEU A 863 -13.375 -7.314 -4.128 1.00 28.80 C ATOM 2300 H LEU A 863 -14.810 -2.594 -4.488 1.00 0.00 H ATOM 2301 N ARG A 864 -16.527 -4.393 -6.836 1.00 28.23 N ATOM 2302 CA ARG A 864 -17.559 -4.825 -7.816 1.00 28.37 C ATOM 2303 C ARG A 864 -17.463 -3.993 -9.106 1.00 32.01 C ATOM 2304 O ARG A 864 -17.413 -4.557 -10.207 1.00 31.31 O ATOM 2305 CB ARG A 864 -18.972 -4.719 -7.222 1.00 30.75 C ATOM 2306 H ARG A 864 -16.833 -3.991 -5.927 1.00 0.00 H ATOM 2307 N ASP A 865 -17.363 -2.649 -8.949 1.00 29.46 N ATOM 2308 CA ASP A 865 -17.243 -1.715 -10.074 1.00 30.40 C ATOM 2309 C ASP A 865 -16.005 -2.035 -10.913 1.00 33.81 C ATOM 2310 O ASP A 865 -16.064 -1.935 -12.139 1.00 35.05 O ATOM 2311 CB ASP A 865 -17.257 -0.248 -9.617 1.00 32.69 C ATOM 2312 CG ASP A 865 -18.626 0.275 -9.194 1.00 43.95 C ATOM 2313 OD1 ASP A 865 -19.605 -0.509 -9.229 1.00 44.85 O ATOM 2314 OD2 ASP A 865 -18.716 1.461 -8.826 1.00 47.81 O ATOM 2315 H ASP A 865 -17.372 -2.262 -7.984 1.00 0.00 H ATOM 2316 N LEU A 866 -14.906 -2.468 -10.274 1.00 28.73 N ATOM 2317 CA LEU A 866 -13.715 -2.843 -11.041 1.00 27.50 C ATOM 2318 C LEU A 866 -13.949 -4.131 -11.820 1.00 32.84 C ATOM 2319 O LEU A 866 -13.591 -4.182 -13.000 1.00 30.21 O ATOM 2320 CB LEU A 866 -12.442 -2.940 -10.174 1.00 26.43 C ATOM 2321 CG LEU A 866 -11.855 -1.597 -9.698 1.00 29.15 C ATOM 2322 CD1 LEU A 866 -10.863 -1.809 -8.525 1.00 27.69 C ATOM 2323 CD2 LEU A 866 -11.097 -0.918 -10.811 1.00 31.39 C ATOM 2324 H LEU A 866 -14.900 -2.537 -9.236 1.00 0.00 H ATOM 2325 N THR A 867 -14.567 -5.167 -11.185 1.00 32.13 N ATOM 2326 CA THR A 867 -14.845 -6.464 -11.856 1.00 31.54 C ATOM 2327 C THR A 867 -15.874 -6.264 -12.986 1.00 35.21 C ATOM 2328 O THR A 867 -15.879 -7.049 -13.920 1.00 37.34 O ATOM 2329 CB THR A 867 -15.352 -7.543 -10.866 1.00 37.44 C ATOM 2330 OG1 THR A 867 -16.644 -7.174 -10.375 1.00 38.68 O ATOM 2331 CG2 THR A 867 -14.388 -7.811 -9.697 1.00 36.42 C ATOM 2332 HG1 THR A 867 -16.582 -6.302 -9.910 1.00 0.00 H ATOM 2333 H THR A 867 -14.855 -5.045 -10.193 1.00 0.00 H ATOM 2334 N ARG A 868 -16.740 -5.228 -12.904 1.00 29.13 N ATOM 2335 CA ARG A 868 -17.764 -4.955 -13.919 1.00 28.71 C ATOM 2336 C ARG A 868 -17.221 -4.242 -15.178 1.00 33.18 C ATOM 2337 O ARG A 868 -17.915 -4.182 -16.201 1.00 31.35 O ATOM 2338 CB ARG A 868 -18.949 -4.176 -13.315 1.00 29.84 C ATOM 2339 H ARG A 868 -16.677 -4.594 -12.082 1.00 0.00 H ATOM 2340 N LEU A 869 -15.980 -3.722 -15.120 1.00 28.78 N ATOM 2341 CA LEU A 869 -15.368 -3.071 -16.285 1.00 37.36 C ATOM 2342 C LEU A 869 -14.947 -4.132 -17.306 1.00 70.66 C ATOM 2343 O LEU A 869 -15.045 -3.890 -18.507 1.00 49.58 O ATOM 2344 CB LEU A 869 -14.135 -2.241 -15.883 1.00 37.32 C ATOM 2345 CG LEU A 869 -14.388 -1.031 -14.967 1.00 41.68 C ATOM 2346 CD1 LEU A 869 -13.077 -0.529 -14.367 1.00 42.03 C ATOM 2347 CD2 LEU A 869 -15.120 0.085 -15.704 1.00 42.12 C ATOM 2348 H LEU A 869 -15.444 -3.783 -14.231 1.00 0.00 H TER 2349 LEU A 869 HETATM 2350 O HOH 1 -15.952 -4.812 1.657 1.00 27.16 O HETATM 2351 O HOH 2 21.522 -6.345 2.653 1.00 31.34 O HETATM 2352 O HOH 3 -21.145 -1.703 0.527 1.00 31.53 O HETATM 2353 O HOH 4 22.732 -2.110 8.963 1.00 40.38 O HETATM 2354 O HOH 5 7.246 -2.831 -18.067 1.00 39.69 O HETATM 2355 O HOH 6 -0.537 7.145 19.809 1.00 31.37 O HETATM 2356 O HOH 7 21.313 -9.416 0.777 1.00 44.62 O HETATM 2357 O HOH 8 -20.927 2.086 -1.985 1.00 24.25 O HETATM 2358 O HOH 9 6.671 -9.389 -22.337 1.00 39.99 O HETATM 2359 O HOH 10 5.962 -2.585 -22.168 1.00 46.87 O HETATM 2360 O HOH 11 6.103 2.854 24.623 1.00 33.31 O HETATM 2361 O HOH 12 5.686 -16.235 -20.092 1.00 41.66 O HETATM 2362 O HOH 13 5.033 12.625 20.424 1.00 51.57 O HETATM 2363 O HOH 14 4.602 -8.100 24.594 1.00 49.96 O HETATM 2364 O HOH 15 -17.758 6.479 2.538 1.00 43.04 O HETATM 2365 O HOH 16 19.475 2.239 0.395 1.00 37.88 O HETATM 2366 O HOH 17 8.778 7.312 30.305 1.00 29.61 O HETATM 2367 O HOH 18 23.313 0.154 4.331 1.00 27.87 O HETATM 2368 O HOH 19 11.626 3.650 -18.379 1.00 41.20 O HETATM 2369 O HOH 20 20.961 3.849 2.029 1.00 43.91 O HETATM 2370 O HOH 21 12.211 3.393 19.280 1.00 31.11 O HETATM 2371 O HOH 22 -17.961 -7.740 0.956 1.00 38.51 O HETATM 2372 O HOH 23 8.192 -11.671 -11.270 1.00 28.40 O HETATM 2373 O HOH 24 0.693 -14.682 -13.644 1.00 38.82 O HETATM 2374 O HOH 25 9.535 -7.233 28.223 1.00 47.35 O HETATM 2375 O HOH 26 -18.325 2.661 3.008 1.00 37.40 O HETATM 2376 O HOH 27 -21.726 4.089 -3.712 1.00 34.26 O HETATM 2377 O HOH 28 3.998 6.544 -2.532 1.00 22.89 O HETATM 2378 O HOH 29 9.948 -12.347 4.719 1.00 30.72 O HETATM 2379 O HOH 30 -9.576 12.004 -10.291 1.00 27.47 O HETATM 2380 O HOH 31 0.295 5.545 8.916 1.00 27.23 O HETATM 2381 O HOH 32 9.633 9.770 16.998 1.00 27.87 O HETATM 2382 O HOH 33 6.059 4.840 9.915 1.00 30.83 O HETATM 2383 O HOH 34 4.473 -5.099 6.076 1.00 31.33 O HETATM 2384 O HOH 35 10.828 -1.473 -6.176 1.00 24.16 O HETATM 2385 O HOH 36 -14.475 20.170 -4.738 1.00 28.51 O HETATM 2386 O HOH 37 -9.876 15.411 -5.718 1.00 28.31 O HETATM 2387 O HOH 38 3.513 6.576 9.079 1.00 27.08 O HETATM 2388 O HOH 39 11.180 -8.077 22.202 1.00 27.32 O HETATM 2389 O HOH 40 -5.902 8.412 2.986 1.00 34.09 O HETATM 2390 O HOH 41 -0.946 -9.526 7.012 1.00 34.50 O HETATM 2391 O HOH 42 -11.684 -9.357 -0.762 1.00 44.17 O HETATM 2392 O HOH 43 -8.399 0.150 12.666 1.00 35.19 O HETATM 2393 O HOH 44 8.143 -11.869 -2.479 1.00 27.67 O HETATM 2394 O HOH 45 7.440 8.419 -13.862 1.00 30.67 O HETATM 2395 O HOH 46 -5.236 -10.656 -9.863 1.00 33.95 O HETATM 2396 O HOH 47 3.529 3.239 -18.869 1.00 28.31 O HETATM 2397 O HOH 48 13.341 8.277 9.307 1.00 44.56 O HETATM 2398 O HOH 49 6.811 -5.684 4.753 1.00 30.67 O HETATM 2399 O HOH 50 8.920 10.908 19.537 1.00 33.17 O HETATM 2400 O HOH 51 -4.977 5.505 3.339 1.00 22.99 O HETATM 2401 O HOH 52 3.440 20.358 12.788 1.00 38.62 O HETATM 2402 O HOH 53 -12.895 -9.431 5.788 1.00 34.19 O HETATM 2403 O HOH 54 12.860 4.467 -9.457 1.00 30.13 O HETATM 2404 O HOH 55 -2.348 1.626 12.812 1.00 32.28 O HETATM 2405 O HOH 56 3.054 -10.661 15.242 1.00 26.91 O HETATM 2406 O HOH 57 -5.766 9.819 5.423 1.00 32.74 O HETATM 2407 O HOH 58 18.443 2.636 12.439 1.00 44.54 O HETATM 2408 O HOH 59 14.581 6.726 1.656 1.00 34.96 O HETATM 2409 O HOH 60 -14.566 5.993 -16.126 1.00 45.28 O HETATM 2410 O HOH 61 -11.360 12.221 -17.473 1.00 49.61 O HETATM 2411 O HOH 62 -11.496 11.300 -12.468 1.00 40.28 O HETATM 2412 O HOH 63 -12.140 1.715 4.388 1.00 33.65 O HETATM 2413 O HOH 64 -4.644 -1.814 15.900 1.00 42.63 O HETATM 2414 O HOH 65 1.720 -12.091 2.743 1.00 39.08 O HETATM 2415 O HOH 66 -6.292 -5.890 -16.820 1.00 29.16 O HETATM 2416 O HOH 67 4.692 19.614 5.666 1.00 35.96 O HETATM 2417 O HOH 68 -6.874 -14.007 0.800 1.00 28.87 O HETATM 2418 O HOH 69 -5.165 13.927 -16.529 1.00 43.57 O HETATM 2419 O HOH 70 -1.679 -11.454 5.282 1.00 27.73 O HETATM 2420 O HOH 71 15.247 -8.583 22.900 1.00 43.06 O HETATM 2421 O HOH 72 7.540 -15.714 11.571 1.00 38.24 O HETATM 2422 O HOH 73 -10.823 20.448 2.932 1.00 39.26 O HETATM 2423 O HOH 74 3.896 10.677 -15.110 1.00 42.12 O HETATM 2424 O HOH 75 -1.462 -0.253 -22.784 1.00 52.08 O HETATM 2425 O HOH 76 13.097 -0.982 -4.784 1.00 36.33 O HETATM 2426 O HOH 77 -16.111 15.989 -6.009 1.00 39.91 O HETATM 2427 O HOH 78 -8.282 -13.806 3.373 1.00 39.99 O HETATM 2428 O HOH 79 -1.339 18.824 15.304 1.00 65.45 O HETATM 2429 O HOH 80 13.665 5.983 -11.656 1.00 40.82 O HETATM 2430 O HOH 81 2.518 9.142 1.782 1.00 40.20 O HETATM 2431 O HOH 82 -17.699 11.839 -8.839 1.00 45.41 O HETATM 2432 O HOH 83 17.373 4.723 14.439 1.00 47.35 O HETATM 2433 O HOH 84 -9.163 -13.461 8.424 1.00 46.98 O HETATM 2434 O HOH 85 2.725 -9.446 -19.135 1.00 57.78 O HETATM 2435 O HOH 86 1.360 19.161 15.236 1.00 42.01 O HETATM 2436 O HOH 87 -0.092 2.914 -19.088 1.00 36.81 O HETATM 2437 O HOH 88 4.539 12.150 6.528 1.00 55.26 O HETATM 2438 O HOH 89 -15.427 16.949 -3.596 1.00 29.66 O HETATM 2439 O HOH 90 2.421 -8.159 22.807 1.00 60.63 O HETATM 2440 O HOH 91 -17.141 5.302 6.476 1.00 39.24 O HETATM 2441 O HOH 92 8.359 12.178 9.338 1.00 45.87 O HETATM 2442 O HOH 93 -14.174 3.992 -13.213 1.00 34.49 O HETATM 2443 O HOH 94 -17.304 -6.668 -3.958 1.00 34.08 O HETATM 2444 O HOH 95 -2.568 7.470 2.566 1.00 42.33 O HETATM 2445 O HOH 96 3.752 13.719 16.914 1.00 59.60 O HETATM 2446 O HOH 97 18.230 -10.393 -0.564 1.00 44.49 O HETATM 2447 O HOH 98 -10.723 14.198 -8.917 1.00 36.51 O HETATM 2448 O HOH 99 3.603 7.568 3.734 1.00 45.68 O HETATM 2449 O HOH 100 0.712 -10.722 9.689 1.00 31.91 O HETATM 2450 O HOH 101 0.097 7.760 2.552 1.00 38.57 O HETATM 2451 O HOH 102 15.098 4.724 12.812 1.00 33.62 O HETATM 2452 O HOH 103 -4.259 25.104 -6.291 1.00 41.84 O HETATM 2453 O HOH 104 6.864 12.956 18.462 1.00 50.16 O HETATM 2454 O HOH 105 12.991 -8.090 24.253 1.00 52.86 O HETATM 2455 O HOH 106 2.469 4.386 -21.564 1.00 48.23 O HETATM 2456 O HOH 107 14.236 -2.476 -2.364 1.00 41.54 O HETATM 2457 O HOH 108 11.641 10.947 15.484 1.00 42.48 O HETATM 2458 O HOH 109 -17.768 -0.209 -13.265 1.00 39.85 O HETATM 2459 O HOH 110 18.415 7.471 7.656 1.00 44.35 O HETATM 2460 O HOH 111 -13.981 -10.123 3.382 1.00 49.33 O HETATM 2461 O HOH 112 -8.466 0.068 -19.363 1.00 46.35 O HETATM 2462 O HOH 113 -8.221 -6.539 -14.820 1.00 45.14 O HETATM 2463 O HOH 114 3.163 21.964 6.746 1.00 58.88 O HETATM 2464 O HOH 115 -12.716 0.498 7.209 1.00 45.81 O HETATM 2465 O HOH 116 -1.070 -12.781 9.159 1.00 40.04 O HETATM 2466 O HOH 117 7.484 0.455 1.850 1.00 39.84 O HETATM 2467 O HOH 118 6.257 9.699 -15.998 1.00 46.78 O HETATM 2468 O HOH 119 5.231 -13.547 21.807 1.00 39.50 O HETATM 2469 O HOH 120 -14.086 26.204 -2.944 1.00 50.98 O HETATM 2470 O HOH 121 -2.473 25.219 -4.288 1.00 39.99 O HETATM 2471 O HOH 122 12.411 -1.089 -8.560 1.00 33.71 O HETATM 2472 O HOH 123 -16.142 -7.289 -1.426 1.00 36.87 O HETATM 2473 O HOH 124 19.313 -0.044 13.885 1.00 45.84 O HETATM 2474 O HOH 125 -4.409 0.379 14.261 1.00 36.60 O HETATM 2475 O HOH 126 -5.699 -12.229 -6.678 1.00 54.24 O HETATM 2476 O HOH 127 13.618 -6.142 -8.733 1.00 55.42 O HETATM 2477 O HOH 128 2.736 -12.817 13.272 1.00 36.20 O HETATM 2478 O HOH 129 -10.086 -3.568 -18.012 1.00 39.23 O HETATM 2479 O HOH 130 -6.821 -8.382 -10.230 1.00 50.29 O HETATM 2480 O HOH 131 14.397 1.477 17.661 1.00 38.55 O HETATM 2481 O HOH 132 5.162 8.257 -5.948 1.00 32.27 O HETATM 2482 O HOH 133 -7.734 -11.274 -3.760 1.00 46.33 O HETATM 2483 O HOH 134 7.662 -13.255 -4.734 1.00 47.75 O HETATM 2484 O HOH 135 -6.646 -1.986 -19.817 1.00 43.53 O HETATM 2485 O HOH 136 -16.368 4.441 4.002 1.00 37.30 O HETATM 2486 O HOH 137 13.986 11.081 17.611 1.00 42.83 O HETATM 2487 O HOH 138 -1.054 -13.943 6.121 1.00 46.21 O HETATM 2488 O HOH 139 -7.603 -4.394 -18.696 1.00 36.96 O HETATM 2489 O HOH 140 -16.662 -8.120 -6.175 1.00 41.95 O HETATM 2490 O HOH 141 -18.049 3.427 -10.531 1.00 37.98 O HETATM 2491 O HOH 142 -8.725 19.499 4.467 1.00 41.35 O HETATM 2492 O HOH 143 7.095 17.156 12.485 1.00 55.36 O HETATM 2493 O HOH 144 -1.130 3.150 14.643 1.00 36.19 O HETATM 2494 O HOH 145 -4.635 -11.645 -12.652 1.00 56.45 O HETATM 2495 O HOH 146 -5.501 12.949 11.196 1.00 52.68 O HETATM 2496 O HOH 147 -2.810 -2.864 -21.866 1.00 38.98 O HETATM 2497 O HOH 148 -14.667 20.597 -12.104 1.00 34.09 O HETATM 2498 O HOH 149 9.513 5.319 2.741 1.00 33.29 O HETATM 2499 O HOH 150 12.536 6.331 -7.442 1.00 51.89 O HETATM 2500 O HOH 151 6.049 -0.196 4.052 1.00 43.71 O HETATM 2501 O HOH 152 4.548 1.700 5.859 1.00 44.14 O HETATM 2502 O HOH 153 5.865 6.152 3.130 1.00 62.93 O HETATM 2503 O HOH 154 8.710 0.995 4.375 1.00 54.32 O HETATM 2504 O HOH 155 -8.769 -0.219 5.384 1.00 34.79 O HETATM 2505 O HOH 156 19.230 -13.894 12.784 1.00 46.44 O HETATM 2506 O HOH 157 22.466 -7.335 13.489 1.00 39.72 O HETATM 2507 O HOH 158 6.094 0.562 7.809 1.00 49.95 O HETATM 2508 C13 UNN A 159 12.960 3.074 -0.204 1.00 0.04 C HETATM 2509 C17 UNN A 159 13.646 3.597 -1.444 1.00 0.08 C HETATM 2510 N18 UNN A 159 14.953 2.998 -1.671 1.00 -0.27 N HETATM 2511 C19 UNN A 159 15.430 2.692 -2.884 1.00 0.20 C HETATM 2512 C21 UNN A 159 16.813 2.089 -2.944 1.00 0.14 C HETATM 2513 O22 UNN A 159 16.579 0.690 -2.961 1.00 -0.36 O HETATM 2514 C23 UNN A 159 17.246 -0.024 -1.923 1.00 0.04 C HETATM 2515 H UNN A 159 17.013 -1.096 -2.007 1.00 0.05 H HETATM 2516 H UNN A 159 16.907 0.349 -0.945 1.00 0.05 H HETATM 2517 H UNN A 159 18.332 0.124 -2.016 1.00 0.05 H HETATM 2518 H UNN A 159 17.403 2.376 -2.061 1.00 0.08 H HETATM 2519 H UNN A 159 17.339 2.408 -3.856 1.00 0.08 H HETATM 2520 O20 UNN A 159 14.810 2.878 -3.930 1.00 -0.39 O HETATM 2521 H UNN A 159 15.527 2.804 -0.876 1.00 0.19 H HETATM 2522 H UNN A 159 13.773 4.685 -1.341 1.00 0.07 H HETATM 2523 H UNN A 159 13.007 3.383 -2.314 1.00 0.07 H HETATM 2524 N12 UNN A 159 12.727 1.742 -0.170 1.00 -0.30 N HETATM 2525 C11 UNN A 159 12.071 1.228 0.883 1.00 0.06 C HETATM 2526 C16 UNN A 159 11.588 2.011 1.918 1.00 -0.04 C HETATM 2527 C15 UNN A 159 11.868 3.370 1.897 1.00 -0.05 C HETATM 2528 C14 UNN A 159 12.560 3.916 0.826 1.00 -0.04 C HETATM 2529 H UNN A 159 12.784 4.976 0.793 1.00 0.06 H HETATM 2530 H UNN A 159 11.547 4.003 2.716 1.00 0.07 H HETATM 2531 H UNN A 159 11.007 1.574 2.722 1.00 0.06 H HETATM 2532 C9 UNN A 159 11.847 -0.223 0.843 1.00 0.07 C HETATM 2533 N8 UNN A 159 12.439 -1.050 -0.096 1.00 -0.27 N HETATM 2534 C7 UNN A 159 11.956 -2.328 0.083 1.00 0.11 C HETATM 2535 C6 UNN A 159 11.003 -2.303 1.113 1.00 0.02 C HETATM 2536 C5 UNN A 159 10.415 -3.558 1.332 1.00 0.09 C HETATM 2537 N1 UNN A 159 9.409 -3.935 2.191 1.00 -0.24 N HETATM 2538 C2 UNN A 159 9.210 -5.260 1.968 1.00 0.10 C HETATM 2539 N3 UNN A 159 9.988 -5.786 1.052 1.00 -0.31 N HETATM 2540 C4 UNN A 159 10.760 -4.719 0.620 1.00 0.07 C HETATM 2541 C25 UNN A 159 11.759 -4.615 -0.382 1.00 0.10 C HETATM 2542 N24 UNN A 159 12.326 -3.418 -0.617 1.00 -0.29 N HETATM 2543 N26 UNN A 159 12.123 -5.671 -1.122 1.00 -0.31 N HETATM 2544 C27 UNN A 159 13.145 -5.611 -2.147 1.00 0.02 C HETATM 2545 H UNN A 159 13.259 -6.603 -2.609 1.00 0.05 H HETATM 2546 H UNN A 159 14.100 -5.305 -1.695 1.00 0.05 H HETATM 2547 H UNN A 159 12.852 -4.880 -2.915 1.00 0.05 H HETATM 2548 H UNN A 159 11.652 -6.571 -0.954 1.00 0.18 H HETATM 2549 H UNN A 159 8.466 -5.838 2.505 1.00 0.13 H HETATM 2550 C28 UNN A 159 8.727 -3.081 3.159 1.00 0.05 C HETATM 2551 H UNN A 159 7.971 -3.670 3.699 1.00 0.06 H HETATM 2552 H UNN A 159 8.237 -2.249 2.632 1.00 0.06 H HETATM 2553 H UNN A 159 9.460 -2.681 3.875 1.00 0.06 H HETATM 2554 C10 UNN A 159 10.960 -0.954 1.582 1.00 -0.05 C HETATM 2555 H UNN A 159 10.331 -0.575 2.386 1.00 0.04 H HETATM 2556 H UNN A 159 13.124 -0.759 -0.808 1.00 0.22 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 292 293 301 302 303 CONECT 301 292 CONECT 302 292 CONECT 303 292 CONECT 1634 1635 1641 1642 1643 CONECT 1641 1634 CONECT 1642 1634 CONECT 1643 1634 CONECT 2508 2509 2524 2528 CONECT 2509 2508 2510 2522 2523 CONECT 2510 2509 2511 2521 CONECT 2511 2510 2512 2520 CONECT 2512 2511 2513 2518 2519 CONECT 2513 2512 2514 CONECT 2514 2513 2515 2516 2517 CONECT 2515 2514 CONECT 2516 2514 CONECT 2517 2514 CONECT 2518 2512 CONECT 2519 2512 CONECT 2520 2511 CONECT 2521 2510 CONECT 2522 2509 CONECT 2523 2509 CONECT 2524 2508 2525 CONECT 2525 2524 2526 2532 CONECT 2526 2525 2527 2531 CONECT 2527 2526 2528 2530 CONECT 2528 2508 2527 2529 CONECT 2529 2528 CONECT 2530 2527 CONECT 2531 2526 CONECT 2532 2525 2533 2554 CONECT 2533 2532 2534 2556 CONECT 2534 2533 2535 2542 CONECT 2535 2534 2536 2554 CONECT 2536 2535 2537 2540 CONECT 2537 2536 2538 2550 CONECT 2538 2537 2539 2549 CONECT 2539 2538 2540 CONECT 2540 2536 2539 2541 CONECT 2541 2540 2542 2543 CONECT 2542 2534 2541 CONECT 2543 2541 2544 2548 CONECT 2544 2543 2545 2546 2547 CONECT 2545 2544 CONECT 2546 2544 CONECT 2547 2544 CONECT 2548 2543 CONECT 2549 2538 CONECT 2550 2537 2551 2552 2553 CONECT 2551 2550 CONECT 2552 2550 CONECT 2553 2550 CONECT 2554 2532 2535 2555 CONECT 2555 2554 CONECT 2556 2533 MASTER 0 0 0 0 0 0 0 0 2553 3 61 21 END
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Related entries of code: 4wov
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Protein Sequence Similarity
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6nzp
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PDBbind
317aa, >6NZP_1|Chains... at 100%
6nzh
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PDBbind
317aa, >6NZH_1|Chains... at 100%
6nzf
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PDBbind
317aa, >6NZF_1|Chains... at 100%
6nze
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PDBbind
317aa, >6NZE_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
4wov
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Tyk2 pseudokinase domain
Ligand Name
3SM
EC.Number
E.C.2.7.10.2
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
Ki=72nM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) J.Biol.Chem. Vol. 290: pp. 11061-11074
Ligand Properties
Formula
C
1
9
H
2
1
N
7
O
2
Molecular Weight
379.416
Exact Mass
379.176
No. of atoms
49
No. of bonds
52
Polar Surface Area
109.75
LOGP Value
0.81 (
Computed with XLOGP3
)
2.28 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 4
Canonical SMILES
COCC(=O)NCc1cccc(n1)c1[nH]c2c(c1)c1n(C)cnc1c(n2)NC
InChI String
InChI=1S/C19H21N7O2/c1-20-19-16-17(26(2)10-22-16)12-7-14(24-18(12)25-19)13-6-4-5-11(23-13)8-21-15(27)9-28-3/h4-7,10H,8-9H2,1-3H3,(H,21,27)(H2,20,24,25)
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):
P29597
Entrez Gene ID
NCBI Entrez Gene ID:
7297
ASD
Information of known allosteric effects of PDB entries
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