Browse entries in the PDBbind-CN Database
HEADER 6B5J_COMPLEX COMPND 6B5J_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 27 ILE LEU LEU LEU ARG ALA GLY LEU PRO SER HIS PHE HIS SEQRES 2 A 27 LEU GLN LEU SER GLU ILE GLU PHE HIS GLU ILE ILE GLY SEQRES 3 A 27 SER SEQRES 1 A 20 PHE GLY LYS VAL TYR LYS GLY ARG CYS ARG ASN LYS ILE SEQRES 2 A 20 VAL ALA ILE LYS ARG TYR ARG SEQRES 1 A 115 SER ASP VAL ASP MET PHE CYS ARG GLU VAL SER ILE LEU SEQRES 2 A 115 CYS GLN LEU ASN HIS PRO CYS VAL ILE GLN PHE VAL GLY SEQRES 3 A 115 ALA CYS LEU ASN ASP PRO SER GLN PHE ALA ILE VAL THR SEQRES 4 A 115 GLN TYR ILE SER GLY GLY SER LEU PHE SER LEU LEU HIS SEQRES 5 A 115 GLU GLN LYS ARG ILE LEU ASP LEU GLN SER LYS LEU ILE SEQRES 6 A 115 ILE ALA VAL ASP VAL ALA LYS GLY MET GLU TYR LEU HIS SEQRES 7 A 115 ASN LEU THR GLN PRO ILE ILE HIS ARG ASP LEU ASN SER SEQRES 8 A 115 HIS ASN ILE LEU LEU TYR GLU ASP GLY HIS ALA VAL VAL SEQRES 9 A 115 ALA ASP PHE GLY GLU SER ARG PHE LEU GLN SER SEQRES 1 A 101 GLY ASN LEU ARG TRP MET ALA PRO GLU VAL PHE THR GLN SEQRES 2 A 101 CYS THR ARG TYR THR ILE LYS ALA ASP VAL PHE SER TYR SEQRES 3 A 101 ALA LEU CYS LEU TRP GLU ILE LEU THR GLY GLU ILE PRO SEQRES 4 A 101 PHE ALA HIS LEU LYS PRO ALA ALA ALA ALA ALA ASP MET SEQRES 5 A 101 ALA TYR HIS HIS ILE ARG PRO PRO ILE GLY TYR SER ILE SEQRES 6 A 101 PRO LYS PRO ILE SER SER LEU LEU ILE ARG GLY TRP ASN SEQRES 7 A 101 ALA CYS PRO GLU GLY ARG PRO GLU PHE SER GLU VAL VAL SEQRES 8 A 101 MET LYS LEU GLU GLU CYS LEU CYS ASN ILE HET CV A 4 45 ATOM 1 N ILE A 445 62.194 68.191 -18.184 1.00 79.99 N ATOM 2 CA ILE A 445 63.317 67.210 -18.026 1.00 80.65 C ATOM 3 C ILE A 445 64.643 67.855 -17.576 1.00 85.66 C ATOM 4 O ILE A 445 65.361 67.268 -16.770 1.00 89.82 O ATOM 5 CB ILE A 445 63.538 66.346 -19.294 1.00 76.63 C ATOM 6 HN3 ILE A 445 62.453 68.900 -18.899 1.00 0.00 H ATOM 7 HN2 ILE A 445 62.017 68.663 -17.274 1.00 0.00 H ATOM 8 HN1 ILE A 445 61.336 67.688 -18.488 1.00 0.00 H ATOM 9 N LEU A 446 64.985 69.042 -18.082 1.00 91.25 N ATOM 10 CA LEU A 446 66.207 69.759 -17.633 1.00 91.56 C ATOM 11 C LEU A 446 65.984 70.392 -16.254 1.00 91.54 C ATOM 12 O LEU A 446 66.864 70.302 -15.404 1.00 92.66 O ATOM 13 CB LEU A 446 66.675 70.809 -18.659 1.00 91.66 C ATOM 14 H LEU A 446 64.381 69.476 -18.809 1.00 0.00 H ATOM 15 N LEU A 447 64.814 71.008 -16.031 1.00 92.76 N ATOM 16 CA LEU A 447 64.466 71.618 -14.734 1.00 92.40 C ATOM 17 C LEU A 447 64.388 70.551 -13.635 1.00 92.23 C ATOM 18 O LEU A 447 64.809 70.789 -12.494 1.00 93.66 O ATOM 19 CB LEU A 447 63.150 72.408 -14.827 1.00 89.88 C ATOM 20 H LEU A 447 64.122 71.058 -16.806 1.00 0.00 H ATOM 21 N LEU A 448 63.882 69.369 -13.997 1.00 92.49 N ATOM 22 CA LEU A 448 63.793 68.230 -13.071 1.00 89.25 C ATOM 23 C LEU A 448 65.160 67.698 -12.627 1.00 89.75 C ATOM 24 O LEU A 448 65.334 67.420 -11.451 1.00 87.53 O ATOM 25 CB LEU A 448 62.956 67.094 -13.679 1.00 86.09 C ATOM 26 CG LEU A 448 62.509 66.026 -12.673 1.00 83.42 C ATOM 27 CD1 LEU A 448 61.394 66.537 -11.767 1.00 79.90 C ATOM 28 CD2 LEU A 448 62.090 64.756 -13.394 1.00 82.61 C ATOM 29 H LEU A 448 63.538 69.250 -14.971 1.00 0.00 H ATOM 30 N ARG A 449 66.105 67.552 -13.564 1.00 94.32 N ATOM 31 CA ARG A 449 67.514 67.194 -13.244 1.00 98.12 C ATOM 32 C ARG A 449 68.131 68.127 -12.157 1.00 98.37 C ATOM 33 O ARG A 449 68.849 67.657 -11.260 1.00 94.67 O ATOM 34 CB ARG A 449 68.432 67.192 -14.511 1.00103.23 C ATOM 35 CG ARG A 449 68.348 65.982 -15.461 1.00103.48 C ATOM 36 CD ARG A 449 69.460 65.966 -16.525 1.00100.48 C ATOM 37 H ARG A 449 65.843 67.695 -14.560 1.00 0.00 H ATOM 38 N ALA A 450 67.855 69.435 -12.252 1.00 99.92 N ATOM 39 CA ALA A 450 68.389 70.434 -11.301 1.00 98.88 C ATOM 40 C ALA A 450 67.754 70.326 -9.900 1.00 92.74 C ATOM 41 O ALA A 450 68.472 70.267 -8.893 1.00 90.47 O ATOM 42 CB ALA A 450 68.229 71.853 -11.857 1.00 99.08 C ATOM 43 H ALA A 450 67.241 69.761 -13.025 1.00 0.00 H ATOM 44 N GLY A 451 66.420 70.294 -9.859 1.00 86.63 N ATOM 45 CA GLY A 451 65.657 70.244 -8.605 1.00 82.87 C ATOM 46 C GLY A 451 65.746 68.936 -7.807 1.00 78.70 C ATOM 47 O GLY A 451 66.019 68.973 -6.604 1.00 76.89 O ATOM 48 H GLY A 451 65.896 70.305 -10.757 1.00 0.00 H ATOM 49 N LEU A 452 65.497 67.797 -8.473 1.00 74.32 N ATOM 50 CA LEU A 452 65.703 66.438 -7.909 1.00 68.47 C ATOM 51 C LEU A 452 67.098 66.257 -7.340 1.00 66.22 C ATOM 52 O LEU A 452 68.061 66.296 -8.090 1.00 67.70 O ATOM 53 CB LEU A 452 65.516 65.353 -8.989 1.00 67.28 C ATOM 54 CG LEU A 452 65.673 63.882 -8.570 1.00 63.72 C ATOM 55 CD1 LEU A 452 64.595 63.536 -7.556 1.00 61.67 C ATOM 56 CD2 LEU A 452 65.583 62.939 -9.757 1.00 63.38 C ATOM 57 H LEU A 452 65.137 67.871 -9.446 1.00 0.00 H ATOM 58 N PRO A 453 67.223 66.034 -6.021 1.00 63.36 N ATOM 59 CA PRO A 453 68.580 65.874 -5.484 1.00 63.37 C ATOM 60 C PRO A 453 69.379 64.807 -6.238 1.00 64.80 C ATOM 61 O PRO A 453 68.788 63.827 -6.729 1.00 64.19 O ATOM 62 CB PRO A 453 68.342 65.478 -4.036 1.00 61.61 C ATOM 63 CG PRO A 453 67.019 66.071 -3.711 1.00 61.85 C ATOM 64 CD PRO A 453 66.202 65.996 -4.962 1.00 61.60 C ATOM 65 N SER A 454 70.698 65.007 -6.360 1.00 66.45 N ATOM 66 CA SER A 454 71.491 64.155 -7.250 1.00 67.69 C ATOM 67 C SER A 454 71.566 62.667 -6.797 1.00 63.40 C ATOM 68 O SER A 454 71.692 61.780 -7.633 1.00 62.92 O ATOM 69 CB SER A 454 72.867 64.757 -7.520 1.00 70.38 C ATOM 70 OG SER A 454 73.695 64.529 -6.421 1.00 76.91 O ATOM 71 HG SER A 454 74.588 64.919 -6.595 1.00 0.00 H ATOM 72 H SER A 454 71.160 65.768 -5.822 1.00 0.00 H ATOM 73 N HIS A 455 71.428 62.376 -5.509 1.00 59.34 N ATOM 74 CA HIS A 455 71.413 60.967 -5.074 1.00 57.55 C ATOM 75 C HIS A 455 70.215 60.117 -5.581 1.00 57.36 C ATOM 76 O HIS A 455 70.285 58.906 -5.606 1.00 57.58 O ATOM 77 CB HIS A 455 71.559 60.874 -3.555 1.00 57.18 C ATOM 78 CG HIS A 455 70.390 61.411 -2.787 1.00 56.73 C ATOM 79 ND1 HIS A 455 70.413 62.634 -2.146 1.00 56.70 N ATOM 80 CD2 HIS A 455 69.177 60.875 -2.533 1.00 56.45 C ATOM 81 CE1 HIS A 455 69.253 62.838 -1.553 1.00 56.83 C ATOM 82 NE2 HIS A 455 68.481 61.791 -1.782 1.00 57.16 N ATOM 83 H HIS A 455 71.331 63.139 -4.809 1.00 0.00 H ATOM 84 N PHE A 456 69.124 60.748 -5.990 1.00 58.24 N ATOM 85 CA PHE A 456 68.012 60.032 -6.609 1.00 58.25 C ATOM 86 C PHE A 456 68.256 59.772 -8.091 1.00 60.26 C ATOM 87 O PHE A 456 67.522 58.991 -8.700 1.00 60.19 O ATOM 88 CB PHE A 456 66.685 60.818 -6.467 1.00 58.59 C ATOM 89 CG PHE A 456 66.164 60.905 -5.054 1.00 56.43 C ATOM 90 CD1 PHE A 456 65.971 59.763 -4.301 1.00 55.13 C ATOM 91 CD2 PHE A 456 65.874 62.125 -4.472 1.00 56.61 C ATOM 92 CE1 PHE A 456 65.513 59.830 -3.000 1.00 53.10 C ATOM 93 CE2 PHE A 456 65.398 62.199 -3.169 1.00 55.28 C ATOM 94 CZ PHE A 456 65.220 61.045 -2.436 1.00 53.72 C ATOM 95 H PHE A 456 69.058 61.779 -5.867 1.00 0.00 H ATOM 96 N HIS A 457 69.253 60.437 -8.683 1.00 63.02 N ATOM 97 CA HIS A 457 69.637 60.200 -10.095 1.00 64.56 C ATOM 98 C HIS A 457 70.176 58.799 -10.300 1.00 62.94 C ATOM 99 O HIS A 457 71.188 58.441 -9.720 1.00 63.39 O ATOM 100 CB HIS A 457 70.715 61.173 -10.562 1.00 67.43 C ATOM 101 CG HIS A 457 70.216 62.553 -10.840 1.00 71.28 C ATOM 102 ND1 HIS A 457 69.525 63.310 -9.915 1.00 70.61 N ATOM 103 CD2 HIS A 457 70.321 63.318 -11.951 1.00 75.12 C ATOM 104 CE1 HIS A 457 69.226 64.478 -10.447 1.00 72.65 C ATOM 105 NE2 HIS A 457 69.699 64.510 -11.680 1.00 75.70 N ATOM 106 H HIS A 457 69.778 61.146 -8.133 1.00 0.00 H ATOM 107 N LEU A 458 69.488 58.010 -11.109 1.00 63.25 N ATOM 108 CA LEU A 458 69.905 56.660 -11.419 1.00 65.10 C ATOM 109 C LEU A 458 70.203 56.548 -12.884 1.00 68.55 C ATOM 110 O LEU A 458 69.609 57.244 -13.706 1.00 70.49 O ATOM 111 CB LEU A 458 68.793 55.670 -11.088 1.00 65.52 C ATOM 112 CG LEU A 458 68.406 55.459 -9.624 1.00 64.14 C ATOM 113 CD1 LEU A 458 67.260 54.481 -9.536 1.00 63.71 C ATOM 114 CD2 LEU A 458 69.570 54.915 -8.837 1.00 63.73 C ATOM 115 H LEU A 458 68.614 58.374 -11.539 1.00 0.00 H ATOM 116 N GLN A 459 71.128 55.656 -13.205 1.00 72.56 N ATOM 117 CA GLN A 459 71.400 55.258 -14.581 1.00 75.83 C ATOM 118 C GLN A 459 70.814 53.877 -14.816 1.00 74.32 C ATOM 119 O GLN A 459 70.950 52.974 -13.976 1.00 71.46 O ATOM 120 CB GLN A 459 72.907 55.201 -14.835 1.00 81.15 C ATOM 121 CG GLN A 459 73.626 56.545 -14.737 1.00 84.53 C ATOM 122 CD GLN A 459 73.040 57.594 -15.670 1.00 87.51 C ATOM 123 OE1 GLN A 459 72.470 57.275 -16.731 1.00 89.36 O ATOM 124 NE2 GLN A 459 73.161 58.852 -15.277 1.00 87.58 N ATOM 125 HE22 GLN A 459 73.645 59.073 -14.383 1.00 0.00 H ATOM 126 HE21 GLN A 459 72.772 59.619 -15.862 1.00 0.00 H ATOM 127 H GLN A 459 71.685 55.220 -12.442 1.00 0.00 H ATOM 128 N LEU A 460 70.190 53.701 -15.973 1.00 73.73 N ATOM 129 CA LEU A 460 69.554 52.436 -16.310 1.00 71.46 C ATOM 130 C LEU A 460 70.468 51.218 -16.102 1.00 70.75 C ATOM 131 O LEU A 460 69.995 50.136 -15.726 1.00 66.45 O ATOM 132 CB LEU A 460 69.078 52.484 -17.751 1.00 74.21 C ATOM 133 CG LEU A 460 68.130 51.361 -18.136 1.00 76.35 C ATOM 134 CD1 LEU A 460 66.762 51.560 -17.498 1.00 75.34 C ATOM 135 CD2 LEU A 460 68.014 51.274 -19.649 1.00 80.10 C ATOM 136 H LEU A 460 70.154 54.485 -16.655 1.00 0.00 H ATOM 137 N SER A 461 71.770 51.404 -16.343 1.00 71.81 N ATOM 138 CA SER A 461 72.751 50.355 -16.109 1.00 72.16 C ATOM 139 C SER A 461 72.900 49.912 -14.629 1.00 70.59 C ATOM 140 O SER A 461 73.452 48.841 -14.373 1.00 71.22 O ATOM 141 CB SER A 461 74.112 50.773 -16.666 1.00 74.84 C ATOM 142 OG SER A 461 74.775 51.702 -15.815 1.00 74.95 O ATOM 143 HG SER A 461 75.649 51.945 -16.211 1.00 0.00 H ATOM 144 H SER A 461 72.090 52.324 -16.708 1.00 0.00 H ATOM 145 N GLU A 462 72.432 50.716 -13.664 1.00 68.67 N ATOM 146 CA GLU A 462 72.494 50.344 -12.227 1.00 66.71 C ATOM 147 C GLU A 462 71.322 49.472 -11.793 1.00 64.36 C ATOM 148 O GLU A 462 71.343 48.932 -10.684 1.00 61.48 O ATOM 149 CB GLU A 462 72.522 51.580 -11.322 1.00 66.27 C ATOM 150 CG GLU A 462 73.677 52.534 -11.555 1.00 67.55 C ATOM 151 CD GLU A 462 73.633 53.709 -10.616 1.00 67.13 C ATOM 152 OE1 GLU A 462 73.402 54.821 -11.129 1.00 68.13 O ATOM 153 OE2 GLU A 462 73.780 53.511 -9.381 1.00 66.07 O ATOM 154 H GLU A 462 72.012 51.630 -13.930 1.00 0.00 H ATOM 155 N ILE A 463 70.299 49.384 -12.651 1.00 63.98 N ATOM 156 CA ILE A 463 69.094 48.607 -12.384 1.00 63.23 C ATOM 157 C ILE A 463 69.183 47.277 -13.110 1.00 63.18 C ATOM 158 O ILE A 463 69.455 47.226 -14.296 1.00 63.11 O ATOM 159 CB ILE A 463 67.802 49.319 -12.867 1.00 63.02 C ATOM 160 CG1 ILE A 463 67.677 50.712 -12.242 1.00 62.13 C ATOM 161 CG2 ILE A 463 66.556 48.465 -12.601 1.00 61.06 C ATOM 162 CD1 ILE A 463 66.746 51.615 -13.030 1.00 64.28 C ATOM 163 H ILE A 463 70.367 49.896 -13.554 1.00 0.00 H ATOM 164 N GLU A 464 68.876 46.230 -12.364 1.00 64.07 N ATOM 165 CA GLU A 464 68.799 44.867 -12.825 1.00 66.66 C ATOM 166 C GLU A 464 67.315 44.499 -12.818 1.00 66.89 C ATOM 167 O GLU A 464 66.656 44.582 -11.788 1.00 64.83 O ATOM 168 CB GLU A 464 69.538 44.001 -11.823 1.00 69.26 C ATOM 169 CG GLU A 464 70.295 42.815 -12.394 1.00 73.41 C ATOM 170 CD GLU A 464 71.113 42.092 -11.327 1.00 74.59 C ATOM 171 OE1 GLU A 464 70.912 40.878 -11.173 1.00 74.07 O ATOM 172 OE2 GLU A 464 71.918 42.742 -10.616 1.00 75.26 O ATOM 173 H GLU A 464 68.673 46.405 -11.359 1.00 0.00 H ATOM 174 N PHE A 465 66.790 44.115 -13.969 1.00 68.55 N ATOM 175 CA PHE A 465 65.371 43.809 -14.126 1.00 67.53 C ATOM 176 C PHE A 465 65.205 42.298 -14.022 1.00 71.26 C ATOM 177 O PHE A 465 65.881 41.585 -14.752 1.00 74.97 O ATOM 178 CB PHE A 465 64.906 44.284 -15.494 1.00 66.44 C ATOM 179 CG PHE A 465 64.947 45.762 -15.647 1.00 65.81 C ATOM 180 CD1 PHE A 465 66.139 46.415 -15.914 1.00 65.83 C ATOM 181 CD2 PHE A 465 63.785 46.515 -15.514 1.00 65.33 C ATOM 182 CE1 PHE A 465 66.172 47.789 -16.052 1.00 65.24 C ATOM 183 CE2 PHE A 465 63.807 47.887 -15.654 1.00 64.35 C ATOM 184 CZ PHE A 465 65.008 48.525 -15.919 1.00 64.98 C ATOM 185 H PHE A 465 67.413 44.027 -14.797 1.00 0.00 H ATOM 186 N HIS A 466 64.323 41.800 -13.143 1.00 72.27 N ATOM 187 CA HIS A 466 64.065 40.354 -13.038 1.00 73.23 C ATOM 188 C HIS A 466 62.704 39.999 -13.633 1.00 75.40 C ATOM 189 O HIS A 466 62.634 39.606 -14.775 1.00 80.54 O ATOM 190 CB HIS A 466 64.279 39.838 -11.613 1.00 71.85 C ATOM 191 CG HIS A 466 65.675 40.071 -11.121 1.00 75.42 C ATOM 192 ND1 HIS A 466 65.969 40.343 -9.804 1.00 77.19 N ATOM 193 CD2 HIS A 466 66.856 40.149 -11.786 1.00 78.90 C ATOM 194 CE1 HIS A 466 67.267 40.566 -9.673 1.00 77.87 C ATOM 195 NE2 HIS A 466 67.830 40.447 -10.862 1.00 79.79 N ATOM 196 H HIS A 466 63.807 42.453 -12.519 1.00 0.00 H ATOM 197 N GLU A 467 61.628 40.197 -12.904 1.00 78.06 N ATOM 198 CA GLU A 467 60.322 39.615 -13.240 1.00 81.89 C ATOM 199 C GLU A 467 59.322 40.707 -13.433 1.00 80.83 C ATOM 200 O GLU A 467 59.425 41.727 -12.771 1.00 86.08 O ATOM 201 CB GLU A 467 59.824 38.776 -12.065 1.00 85.80 C ATOM 202 CG GLU A 467 60.828 37.765 -11.549 1.00 97.25 C ATOM 203 CD GLU A 467 61.009 36.565 -12.507 1.00117.70 C ATOM 204 OE1 GLU A 467 60.126 36.336 -13.385 1.00135.67 O ATOM 205 OE2 GLU A 467 62.050 35.843 -12.407 1.00122.68 O ATOM 206 H GLU A 467 61.705 40.791 -12.054 1.00 0.00 H ATOM 207 N ILE A 468 58.315 40.494 -14.272 1.00 80.00 N ATOM 208 CA ILE A 468 57.206 41.464 -14.398 1.00 77.42 C ATOM 209 C ILE A 468 56.253 41.226 -13.219 1.00 75.30 C ATOM 210 O ILE A 468 56.006 40.088 -12.840 1.00 73.71 O ATOM 211 CB ILE A 468 56.470 41.349 -15.764 1.00 79.87 C ATOM 212 CG1 ILE A 468 57.452 41.509 -16.947 1.00 83.15 C ATOM 213 CG2 ILE A 468 55.390 42.410 -15.900 1.00 78.93 C ATOM 214 CD1 ILE A 468 56.951 40.974 -18.283 1.00 86.41 C ATOM 215 H ILE A 468 58.306 39.630 -14.851 1.00 0.00 H ATOM 216 N ILE A 469 55.750 42.300 -12.617 1.00 75.91 N ATOM 217 CA ILE A 469 54.703 42.198 -11.560 1.00 76.99 C ATOM 218 C ILE A 469 53.398 42.945 -11.860 1.00 79.05 C ATOM 219 O ILE A 469 52.381 42.644 -11.248 1.00 80.16 O ATOM 220 CB ILE A 469 55.225 42.550 -10.132 1.00 73.80 C ATOM 221 CG1 ILE A 469 56.094 43.819 -10.157 1.00 71.44 C ATOM 222 CG2 ILE A 469 55.978 41.348 -9.541 1.00 74.46 C ATOM 223 CD1 ILE A 469 56.761 44.202 -8.845 1.00 68.16 C ATOM 224 H ILE A 469 56.098 43.241 -12.892 1.00 0.00 H ATOM 225 N GLY A 470 53.420 43.886 -12.802 1.00 82.94 N ATOM 226 CA GLY A 470 52.224 44.638 -13.215 1.00 86.80 C ATOM 227 C GLY A 470 52.400 45.135 -14.647 1.00 92.35 C ATOM 228 O GLY A 470 53.529 45.380 -15.072 1.00 91.16 O ATOM 229 H GLY A 470 54.325 44.100 -13.268 1.00 0.00 H ATOM 230 N SER A 471 51.295 45.286 -15.391 1.00 98.04 N ATOM 231 CA SER A 471 51.345 45.546 -16.857 1.00 98.12 C ATOM 232 C SER A 471 50.217 46.428 -17.412 1.00 95.06 C ATOM 233 O SER A 471 49.387 46.944 -16.671 1.00 93.44 O ATOM 234 CB SER A 471 51.364 44.212 -17.615 1.00100.02 C ATOM 235 H SER A 471 50.367 45.219 -14.927 1.00 0.00 H TER 236 SER A 471 ATOM 237 N PHE A 474 50.193 51.793 -20.229 1.00113.90 N ATOM 238 CA PHE A 474 50.977 52.819 -19.540 1.00117.56 C ATOM 239 C PHE A 474 52.511 52.519 -19.472 1.00118.63 C ATOM 240 O PHE A 474 53.331 53.427 -19.224 1.00118.36 O ATOM 241 CB PHE A 474 50.375 53.073 -18.133 1.00117.36 C ATOM 242 CG PHE A 474 50.757 52.038 -17.088 1.00123.50 C ATOM 243 CD1 PHE A 474 49.965 50.896 -16.882 1.00123.80 C ATOM 244 CD2 PHE A 474 51.914 52.204 -16.288 1.00122.20 C ATOM 245 CE1 PHE A 474 50.323 49.945 -15.917 1.00124.63 C ATOM 246 CE2 PHE A 474 52.270 51.254 -15.324 1.00120.38 C ATOM 247 CZ PHE A 474 51.471 50.126 -15.134 1.00123.08 C ATOM 248 HN3 PHE A 474 50.304 50.884 -19.736 1.00 0.00 H ATOM 249 HN2 PHE A 474 50.530 51.701 -21.209 1.00 0.00 H ATOM 250 HN1 PHE A 474 49.190 52.067 -20.230 1.00 0.00 H ATOM 251 N GLY A 475 52.887 51.255 -19.704 1.00113.76 N ATOM 252 CA GLY A 475 54.243 50.747 -19.442 1.00106.39 C ATOM 253 C GLY A 475 54.181 49.552 -18.481 1.00 99.26 C ATOM 254 O GLY A 475 53.101 49.006 -18.231 1.00 99.65 O ATOM 255 H GLY A 475 52.182 50.596 -20.091 1.00 0.00 H ATOM 256 N LYS A 476 55.328 49.155 -17.925 1.00 89.57 N ATOM 257 CA LYS A 476 55.440 47.913 -17.149 1.00 81.13 C ATOM 258 C LYS A 476 56.214 48.083 -15.855 1.00 72.07 C ATOM 259 O LYS A 476 57.130 48.875 -15.757 1.00 70.50 O ATOM 260 CB LYS A 476 56.110 46.814 -17.991 1.00 85.61 C ATOM 261 CG LYS A 476 55.255 46.326 -19.156 1.00 90.18 C ATOM 262 CD LYS A 476 56.008 45.399 -20.083 1.00 92.62 C ATOM 263 CE LYS A 476 55.084 44.913 -21.183 1.00 95.08 C ATOM 264 NZ LYS A 476 55.869 44.101 -22.153 1.00 99.06 N ATOM 265 HZ1 LYS A 476 56.624 44.687 -22.562 1.00 0.00 H ATOM 266 HZ2 LYS A 476 56.289 43.286 -21.662 1.00 0.00 H ATOM 267 HZ3 LYS A 476 55.240 43.765 -22.910 1.00 0.00 H ATOM 268 H LYS A 476 56.174 49.748 -18.046 1.00 0.00 H ATOM 269 N VAL A 477 55.832 47.303 -14.863 1.00 67.29 N ATOM 270 CA VAL A 477 56.458 47.323 -13.549 1.00 65.37 C ATOM 271 C VAL A 477 57.225 46.017 -13.321 1.00 66.25 C ATOM 272 O VAL A 477 56.646 44.925 -13.382 1.00 67.53 O ATOM 273 CB VAL A 477 55.411 47.500 -12.416 1.00 63.24 C ATOM 274 CG1 VAL A 477 56.087 47.445 -11.052 1.00 61.09 C ATOM 275 CG2 VAL A 477 54.653 48.824 -12.573 1.00 62.26 C ATOM 276 H VAL A 477 55.046 46.642 -15.027 1.00 0.00 H ATOM 277 N TYR A 478 58.517 46.126 -13.022 1.00 65.70 N ATOM 278 CA TYR A 478 59.372 44.950 -12.816 1.00 63.25 C ATOM 279 C TYR A 478 59.831 44.786 -11.374 1.00 59.52 C ATOM 280 O TYR A 478 60.129 45.763 -10.692 1.00 59.43 O ATOM 281 CB TYR A 478 60.590 45.027 -13.734 1.00 65.10 C ATOM 282 CG TYR A 478 60.244 45.147 -15.222 1.00 69.05 C ATOM 283 CD1 TYR A 478 59.880 46.384 -15.767 1.00 71.32 C ATOM 284 CD2 TYR A 478 60.294 44.030 -16.093 1.00 70.06 C ATOM 285 CE1 TYR A 478 59.571 46.513 -17.122 1.00 73.75 C ATOM 286 CE2 TYR A 478 59.975 44.152 -17.448 1.00 72.30 C ATOM 287 CZ TYR A 478 59.620 45.393 -17.959 1.00 73.97 C ATOM 288 OH TYR A 478 59.303 45.533 -19.291 1.00 75.78 O ATOM 289 HH TYR A 478 59.077 46.479 -19.478 1.00 0.00 H ATOM 290 H TYR A 478 58.935 47.074 -12.931 1.00 0.00 H ATOM 291 N LYS A 479 59.880 43.554 -10.894 1.00 57.56 N ATOM 292 CA LYS A 479 60.718 43.267 -9.734 1.00 57.82 C ATOM 293 C LYS A 479 62.184 43.282 -10.219 1.00 58.03 C ATOM 294 O LYS A 479 62.461 42.967 -11.391 1.00 60.05 O ATOM 295 CB LYS A 479 60.401 41.923 -9.089 1.00 59.04 C ATOM 296 CG LYS A 479 61.255 41.681 -7.850 1.00 60.56 C ATOM 297 CD LYS A 479 61.141 40.304 -7.233 1.00 63.08 C ATOM 298 CE LYS A 479 62.381 40.034 -6.392 1.00 63.90 C ATOM 299 NZ LYS A 479 62.085 38.949 -5.447 1.00 66.63 N ATOM 300 HZ1 LYS A 479 61.296 39.233 -4.832 1.00 0.00 H ATOM 301 HZ2 LYS A 479 61.824 38.092 -5.976 1.00 0.00 H ATOM 302 HZ3 LYS A 479 62.927 38.757 -4.867 1.00 0.00 H ATOM 303 H LYS A 479 59.325 42.796 -11.340 1.00 0.00 H ATOM 304 N GLY A 480 63.113 43.664 -9.345 1.00 54.10 N ATOM 305 CA GLY A 480 64.462 43.822 -9.764 1.00 54.47 C ATOM 306 C GLY A 480 65.390 44.149 -8.648 1.00 54.67 C ATOM 307 O GLY A 480 65.063 43.927 -7.499 1.00 53.08 O ATOM 308 H GLY A 480 62.851 43.847 -8.355 1.00 0.00 H ATOM 309 N ARG A 481 66.564 44.667 -9.010 1.00 57.69 N ATOM 310 CA ARG A 481 67.621 44.985 -8.047 1.00 57.58 C ATOM 311 C ARG A 481 68.447 46.238 -8.408 1.00 56.70 C ATOM 312 O ARG A 481 68.859 46.432 -9.552 1.00 55.60 O ATOM 313 CB ARG A 481 68.541 43.782 -7.910 1.00 59.29 C ATOM 314 CG ARG A 481 69.338 43.796 -6.625 1.00 59.72 C ATOM 315 CD ARG A 481 70.338 42.647 -6.547 1.00 61.86 C ATOM 316 NE ARG A 481 71.160 42.792 -5.345 1.00 62.18 N ATOM 317 CZ ARG A 481 70.787 42.494 -4.094 1.00 62.31 C ATOM 318 NH1 ARG A 481 71.609 42.750 -3.089 1.00 62.54 N ATOM 319 NH2 ARG A 481 69.598 41.971 -3.823 1.00 63.35 N ATOM 320 HE ARG A 481 72.124 43.161 -5.474 1.00 0.00 H ATOM 321 HH12 ARG A 481 71.326 42.521 -2.115 1.00 0.00 H ATOM 322 HH11 ARG A 481 72.538 43.180 -3.273 1.00 0.00 H ATOM 323 HH22 ARG A 481 69.339 41.751 -2.840 1.00 0.00 H ATOM 324 HH21 ARG A 481 68.926 41.781 -4.593 1.00 0.00 H ATOM 325 H ARG A 481 66.737 44.853 -10.019 1.00 0.00 H ATOM 326 N CYS A 482 68.709 47.064 -7.404 1.00 55.81 N ATOM 327 CA CYS A 482 69.376 48.350 -7.617 1.00 57.08 C ATOM 328 C CYS A 482 70.071 48.814 -6.328 1.00 56.18 C ATOM 329 O CYS A 482 69.432 48.879 -5.289 1.00 58.09 O ATOM 330 CB CYS A 482 68.355 49.377 -8.094 1.00 57.13 C ATOM 331 SG CYS A 482 69.032 51.020 -8.305 1.00 57.66 S ATOM 332 H CYS A 482 68.433 46.791 -6.439 1.00 0.00 H ATOM 333 N ARG A 483 71.368 49.119 -6.400 1.00 56.18 N ATOM 334 CA ARG A 483 72.173 49.462 -5.232 1.00 56.01 C ATOM 335 C ARG A 483 71.948 48.513 -4.072 1.00 53.54 C ATOM 336 O ARG A 483 71.586 48.924 -2.985 1.00 53.37 O ATOM 337 CB ARG A 483 71.895 50.906 -4.819 1.00 58.86 C ATOM 338 CG ARG A 483 72.248 51.865 -5.945 1.00 62.64 C ATOM 339 CD ARG A 483 71.929 53.326 -5.643 1.00 63.69 C ATOM 340 NE ARG A 483 72.415 54.176 -6.743 1.00 62.93 N ATOM 341 CZ ARG A 483 72.149 55.470 -6.868 1.00 61.36 C ATOM 342 NH1 ARG A 483 71.386 56.109 -5.963 1.00 59.51 N ATOM 343 NH2 ARG A 483 72.621 56.117 -7.924 1.00 60.67 N ATOM 344 HE ARG A 483 73.008 53.731 -7.473 1.00 0.00 H ATOM 345 HH12 ARG A 483 71.186 57.124 -6.075 1.00 0.00 H ATOM 346 HH11 ARG A 483 70.996 55.589 -5.152 1.00 0.00 H ATOM 347 HH22 ARG A 483 72.425 57.131 -8.043 1.00 0.00 H ATOM 348 HH21 ARG A 483 73.187 55.610 -8.634 1.00 0.00 H ATOM 349 H ARG A 483 71.827 49.112 -7.333 1.00 0.00 H ATOM 350 N ASN A 484 72.133 47.232 -4.323 1.00 53.19 N ATOM 351 CA ASN A 484 71.895 46.200 -3.327 1.00 53.86 C ATOM 352 C ASN A 484 70.574 46.253 -2.562 1.00 54.22 C ATOM 353 O ASN A 484 70.532 45.877 -1.425 1.00 55.00 O ATOM 354 CB ASN A 484 73.074 46.164 -2.365 1.00 53.99 C ATOM 355 CG ASN A 484 74.196 45.319 -2.884 1.00 56.29 C ATOM 356 OD1 ASN A 484 74.025 44.110 -3.153 1.00 57.51 O ATOM 357 ND2 ASN A 484 75.364 45.925 -3.020 1.00 57.08 N ATOM 358 HD22 ASN A 484 75.457 46.933 -2.783 1.00 0.00 H ATOM 359 HD21 ASN A 484 76.189 45.393 -3.364 1.00 0.00 H ATOM 360 H ASN A 484 72.461 46.949 -5.268 1.00 0.00 H ATOM 361 N LYS A 485 69.500 46.710 -3.192 1.00 56.84 N ATOM 362 CA LYS A 485 68.169 46.691 -2.599 1.00 58.77 C ATOM 363 C LYS A 485 67.333 45.846 -3.502 1.00 57.20 C ATOM 364 O LYS A 485 67.568 45.824 -4.699 1.00 60.46 O ATOM 365 CB LYS A 485 67.553 48.091 -2.532 1.00 63.86 C ATOM 366 CG LYS A 485 68.172 48.995 -1.473 1.00 68.95 C ATOM 367 CD LYS A 485 67.729 50.457 -1.624 1.00 72.34 C ATOM 368 CE LYS A 485 68.912 51.424 -1.422 1.00 72.50 C ATOM 369 NZ LYS A 485 68.398 52.815 -1.248 1.00 72.31 N ATOM 370 HZ1 LYS A 485 67.863 53.094 -2.095 1.00 0.00 H ATOM 371 HZ2 LYS A 485 67.775 52.852 -0.416 1.00 0.00 H ATOM 372 HZ3 LYS A 485 69.199 53.465 -1.112 1.00 0.00 H ATOM 373 H LYS A 485 69.613 47.098 -4.150 1.00 0.00 H ATOM 374 N ILE A 486 66.342 45.167 -2.948 1.00 54.38 N ATOM 375 CA ILE A 486 65.317 44.549 -3.776 1.00 52.71 C ATOM 376 C ILE A 486 64.352 45.686 -4.064 1.00 51.59 C ATOM 377 O ILE A 486 63.970 46.389 -3.135 1.00 50.27 O ATOM 378 CB ILE A 486 64.632 43.382 -3.070 1.00 51.09 C ATOM 379 CG1 ILE A 486 65.693 42.369 -2.606 1.00 50.28 C ATOM 380 CG2 ILE A 486 63.649 42.710 -4.031 1.00 51.99 C ATOM 381 CD1 ILE A 486 65.250 41.430 -1.506 1.00 49.31 C ATOM 382 H ILE A 486 66.295 45.074 -1.913 1.00 0.00 H ATOM 383 N VAL A 487 64.032 45.914 -5.342 1.00 52.27 N ATOM 384 CA VAL A 487 63.246 47.088 -5.763 1.00 53.20 C ATOM 385 C VAL A 487 62.162 46.774 -6.785 1.00 52.92 C ATOM 386 O VAL A 487 62.266 45.831 -7.536 1.00 56.11 O ATOM 387 CB VAL A 487 64.149 48.218 -6.352 1.00 55.20 C ATOM 388 CG1 VAL A 487 65.072 48.803 -5.281 1.00 54.28 C ATOM 389 CG2 VAL A 487 64.960 47.734 -7.553 1.00 57.05 C ATOM 390 H VAL A 487 64.349 45.238 -6.066 1.00 0.00 H ATOM 391 N ALA A 488 61.126 47.591 -6.815 1.00 51.81 N ATOM 392 CA ALA A 488 60.143 47.539 -7.871 1.00 50.79 C ATOM 393 C ALA A 488 60.452 48.678 -8.796 1.00 51.30 C ATOM 394 O ALA A 488 60.736 49.772 -8.330 1.00 51.64 O ATOM 395 CB ALA A 488 58.773 47.711 -7.280 1.00 49.96 C ATOM 396 H ALA A 488 61.014 48.293 -6.056 1.00 0.00 H ATOM 397 N ILE A 489 60.383 48.433 -10.096 1.00 53.40 N ATOM 398 CA ILE A 489 60.708 49.445 -11.098 1.00 55.75 C ATOM 399 C ILE A 489 59.561 49.645 -12.032 1.00 57.21 C ATOM 400 O ILE A 489 59.158 48.714 -12.706 1.00 57.89 O ATOM 401 CB ILE A 489 61.918 49.047 -11.993 1.00 59.01 C ATOM 402 CG1 ILE A 489 63.130 48.630 -11.136 1.00 58.95 C ATOM 403 CG2 ILE A 489 62.288 50.199 -12.953 1.00 59.89 C ATOM 404 CD1 ILE A 489 63.354 47.135 -11.097 1.00 58.99 C ATOM 405 H ILE A 489 60.087 47.488 -10.414 1.00 0.00 H ATOM 406 N LYS A 490 59.093 50.874 -12.135 1.00 59.84 N ATOM 407 CA LYS A 490 58.043 51.210 -13.077 1.00 65.50 C ATOM 408 C LYS A 490 58.729 51.816 -14.273 1.00 72.42 C ATOM 409 O LYS A 490 59.336 52.867 -14.147 1.00 74.60 O ATOM 410 CB LYS A 490 57.050 52.215 -12.467 1.00 64.31 C ATOM 411 CG LYS A 490 56.013 52.794 -13.422 1.00 62.67 C ATOM 412 CD LYS A 490 55.372 54.047 -12.863 1.00 63.29 C ATOM 413 CE LYS A 490 54.166 53.771 -11.968 1.00 64.83 C ATOM 414 NZ LYS A 490 53.088 54.811 -12.095 1.00 65.02 N ATOM 415 HZ1 LYS A 490 53.472 55.741 -11.830 1.00 0.00 H ATOM 416 HZ2 LYS A 490 52.751 54.841 -13.078 1.00 0.00 H ATOM 417 HZ3 LYS A 490 52.298 54.568 -11.464 1.00 0.00 H ATOM 418 H LYS A 490 59.486 51.620 -11.526 1.00 0.00 H ATOM 419 N ARG A 491 58.586 51.176 -15.434 1.00 80.89 N ATOM 420 CA ARG A 491 59.120 51.691 -16.693 1.00 86.24 C ATOM 421 C ARG A 491 58.020 52.135 -17.682 1.00 92.26 C ATOM 422 O ARG A 491 57.008 51.446 -17.833 1.00 92.06 O ATOM 423 CB ARG A 491 59.969 50.616 -17.324 1.00 85.40 C ATOM 424 CG ARG A 491 60.990 51.204 -18.268 1.00 87.09 C ATOM 425 CD ARG A 491 62.002 50.160 -18.557 1.00 87.49 C ATOM 426 NE ARG A 491 63.202 50.546 -19.169 1.00 89.86 N ATOM 427 CZ ARG A 491 63.723 50.703 -20.355 1.00 95.42 C ATOM 428 NH1 ARG A 491 63.550 51.794 -21.105 1.00 94.94 N ATOM 429 NH2 ARG A 491 64.899 50.084 -20.412 1.00 96.85 N ATOM 430 HE ARG A 491 63.906 50.785 -18.442 1.00 0.00 H ATOM 431 HH12 ARG A 491 63.994 51.856 -22.043 1.00 0.00 H ATOM 432 HH11 ARG A 491 62.971 52.582 -20.751 1.00 0.00 H ATOM 433 HH22 ARG A 491 65.457 50.107 -21.290 1.00 0.00 H ATOM 434 HH21 ARG A 491 65.261 49.577 -19.579 1.00 0.00 H ATOM 435 H ARG A 491 58.072 50.272 -15.444 1.00 0.00 H ATOM 436 N TYR A 492 58.234 53.267 -18.360 1.00 96.68 N ATOM 437 CA TYR A 492 57.220 53.850 -19.262 1.00103.20 C ATOM 438 C TYR A 492 57.225 53.310 -20.707 1.00107.70 C ATOM 439 O TYR A 492 58.241 52.780 -21.175 1.00106.31 O ATOM 440 CB TYR A 492 57.376 55.365 -19.290 1.00105.72 C ATOM 441 CG TYR A 492 56.854 56.006 -18.053 1.00105.15 C ATOM 442 CD1 TYR A 492 55.547 56.491 -17.999 1.00107.63 C ATOM 443 CD2 TYR A 492 57.641 56.098 -16.923 1.00102.80 C ATOM 444 CE1 TYR A 492 55.055 57.081 -16.853 1.00105.11 C ATOM 445 CE2 TYR A 492 57.152 56.671 -15.772 1.00100.69 C ATOM 446 CZ TYR A 492 55.869 57.168 -15.752 1.00101.93 C ATOM 447 OH TYR A 492 55.398 57.745 -14.622 1.00103.77 O ATOM 448 HH TYR A 492 55.418 57.086 -13.883 1.00 0.00 H ATOM 449 H TYR A 492 59.146 53.754 -18.249 1.00 0.00 H ATOM 450 N ARG A 493 56.091 53.511 -21.400 1.00108.33 N ATOM 451 CA ARG A 493 55.799 52.959 -22.750 1.00106.92 C ATOM 452 C ARG A 493 56.986 52.793 -23.724 1.00106.82 C ATOM 453 O ARG A 493 57.914 53.602 -23.767 1.00102.29 O ATOM 454 CB ARG A 493 54.742 53.837 -23.423 1.00 20.00 C ATOM 455 H ARG A 493 55.358 54.100 -20.956 1.00 0.00 H TER 456 ARG A 493 ATOM 457 N SER A 501 53.458 65.285 -23.352 1.00103.62 N ATOM 458 CA SER A 501 52.546 64.882 -22.255 1.00105.56 C ATOM 459 C SER A 501 53.075 63.679 -21.434 1.00104.56 C ATOM 460 O SER A 501 52.840 63.610 -20.229 1.00104.92 O ATOM 461 CB SER A 501 51.164 64.546 -22.818 1.00 20.00 C ATOM 462 HN3 SER A 501 53.584 64.487 -24.007 1.00 0.00 H ATOM 463 HN2 SER A 501 54.379 65.556 -22.953 1.00 0.00 H ATOM 464 HN1 SER A 501 53.048 66.093 -23.863 1.00 0.00 H ATOM 465 N ASP A 502 53.782 62.747 -22.088 1.00104.61 N ATOM 466 CA ASP A 502 54.487 61.615 -21.413 1.00 98.50 C ATOM 467 C ASP A 502 55.543 62.117 -20.439 1.00 94.41 C ATOM 468 O ASP A 502 55.617 61.677 -19.299 1.00 87.56 O ATOM 469 CB ASP A 502 55.201 60.714 -22.432 1.00100.36 C ATOM 470 CG ASP A 502 54.275 60.189 -23.494 1.00102.85 C ATOM 471 OD1 ASP A 502 53.149 59.804 -23.146 1.00 99.18 O ATOM 472 OD2 ASP A 502 54.670 60.190 -24.683 1.00109.70 O ATOM 473 H ASP A 502 53.844 62.815 -23.124 1.00 0.00 H ATOM 474 N VAL A 503 56.344 63.064 -20.918 1.00 95.27 N ATOM 475 CA VAL A 503 57.418 63.658 -20.140 1.00 92.52 C ATOM 476 C VAL A 503 56.835 64.428 -18.949 1.00 92.76 C ATOM 477 O VAL A 503 57.195 64.168 -17.814 1.00 95.10 O ATOM 478 CB VAL A 503 58.292 64.590 -21.002 1.00 90.88 C ATOM 479 CG1 VAL A 503 59.403 65.224 -20.160 1.00 90.43 C ATOM 480 CG2 VAL A 503 58.887 63.826 -22.185 1.00 91.27 C ATOM 481 H VAL A 503 56.195 63.394 -21.893 1.00 0.00 H ATOM 482 N ASP A 504 55.931 65.365 -19.203 1.00 93.60 N ATOM 483 CA ASP A 504 55.323 66.126 -18.114 1.00 91.27 C ATOM 484 C ASP A 504 54.758 65.212 -17.041 1.00 86.34 C ATOM 485 O ASP A 504 54.946 65.473 -15.865 1.00 86.25 O ATOM 486 CB ASP A 504 54.227 67.049 -18.642 1.00 93.07 C ATOM 487 CG ASP A 504 54.774 68.270 -19.355 1.00 96.26 C ATOM 488 OD1 ASP A 504 55.927 68.703 -19.116 1.00 95.64 O ATOM 489 OD2 ASP A 504 54.012 68.816 -20.163 1.00100.53 O ATOM 490 H ASP A 504 55.653 65.560 -20.186 1.00 0.00 H ATOM 491 N MET A 505 54.099 64.133 -17.454 1.00 83.99 N ATOM 492 CA MET A 505 53.519 63.172 -16.524 1.00 84.02 C ATOM 493 C MET A 505 54.607 62.541 -15.659 1.00 77.61 C ATOM 494 O MET A 505 54.510 62.584 -14.447 1.00 76.17 O ATOM 495 CB MET A 505 52.734 62.110 -17.296 1.00 93.07 C ATOM 496 CG MET A 505 52.113 60.993 -16.464 1.00100.25 C ATOM 497 SD MET A 505 51.601 59.591 -17.493 1.00112.28 S ATOM 498 CE MET A 505 50.338 60.373 -18.526 1.00106.80 C ATOM 499 H MET A 505 53.994 63.969 -18.476 1.00 0.00 H ATOM 500 N PHE A 506 55.646 61.995 -16.289 1.00 73.09 N ATOM 501 CA PHE A 506 56.838 61.460 -15.592 1.00 66.95 C ATOM 502 C PHE A 506 57.475 62.467 -14.646 1.00 65.49 C ATOM 503 O PHE A 506 57.867 62.126 -13.554 1.00 62.95 O ATOM 504 CB PHE A 506 57.897 61.052 -16.616 1.00 66.59 C ATOM 505 CG PHE A 506 59.142 60.486 -16.019 1.00 64.54 C ATOM 506 CD1 PHE A 506 59.112 59.229 -15.442 1.00 64.48 C ATOM 507 CD2 PHE A 506 60.341 61.181 -16.044 1.00 65.36 C ATOM 508 CE1 PHE A 506 60.241 58.656 -14.873 1.00 63.57 C ATOM 509 CE2 PHE A 506 61.491 60.629 -15.476 1.00 65.34 C ATOM 510 CZ PHE A 506 61.444 59.363 -14.887 1.00 64.73 C ATOM 511 H PHE A 506 55.619 61.942 -17.327 1.00 0.00 H ATOM 512 N CYS A 507 57.587 63.712 -15.084 1.00 68.59 N ATOM 513 CA CYS A 507 58.197 64.764 -14.272 1.00 69.73 C ATOM 514 C CYS A 507 57.357 65.056 -13.023 1.00 67.09 C ATOM 515 O CYS A 507 57.884 65.113 -11.912 1.00 67.13 O ATOM 516 CB CYS A 507 58.471 66.045 -15.098 1.00 71.74 C ATOM 517 SG CYS A 507 59.872 65.878 -16.236 1.00 74.05 S ATOM 518 H CYS A 507 57.231 63.948 -16.032 1.00 0.00 H ATOM 519 N ARG A 508 56.055 65.210 -13.194 1.00 65.38 N ATOM 520 CA ARG A 508 55.172 65.366 -12.044 1.00 64.25 C ATOM 521 C ARG A 508 55.407 64.230 -11.039 1.00 59.13 C ATOM 522 O ARG A 508 55.640 64.468 -9.855 1.00 56.90 O ATOM 523 CB ARG A 508 53.721 65.378 -12.504 1.00 65.99 C ATOM 524 CG ARG A 508 52.717 65.566 -11.392 1.00 67.38 C ATOM 525 CD ARG A 508 51.343 65.824 -11.941 1.00 70.61 C ATOM 526 NE ARG A 508 51.099 65.060 -13.179 1.00 77.26 N ATOM 527 CZ ARG A 508 50.762 65.572 -14.377 1.00 84.53 C ATOM 528 NH1 ARG A 508 50.571 64.759 -15.434 1.00 84.91 N ATOM 529 NH2 ARG A 508 50.603 66.891 -14.549 1.00 88.93 N ATOM 530 HE ARG A 508 51.197 64.026 -13.120 1.00 0.00 H ATOM 531 HH12 ARG A 508 50.311 65.160 -16.358 1.00 0.00 H ATOM 532 HH11 ARG A 508 50.684 63.731 -15.326 1.00 0.00 H ATOM 533 HH22 ARG A 508 50.342 67.266 -15.483 1.00 0.00 H ATOM 534 HH21 ARG A 508 50.740 67.540 -13.748 1.00 0.00 H ATOM 535 H ARG A 508 55.658 65.220 -14.155 1.00 0.00 H ATOM 536 N GLU A 509 55.392 63.004 -11.539 1.00 55.89 N ATOM 537 CA GLU A 509 55.434 61.838 -10.678 1.00 53.58 C ATOM 538 C GLU A 509 56.685 61.820 -9.838 1.00 52.27 C ATOM 539 O GLU A 509 56.614 61.513 -8.648 1.00 52.13 O ATOM 540 CB GLU A 509 55.318 60.515 -11.469 1.00 53.91 C ATOM 541 CG GLU A 509 55.285 59.262 -10.573 1.00 54.28 C ATOM 542 CD GLU A 509 54.908 57.952 -11.286 1.00 54.85 C ATOM 543 OE1 GLU A 509 54.804 57.978 -12.511 1.00 57.81 O ATOM 544 OE2 GLU A 509 54.737 56.880 -10.646 1.00 51.27 O ATOM 545 H GLU A 509 55.349 62.875 -12.570 1.00 0.00 H ATOM 546 N VAL A 510 57.826 62.133 -10.453 1.00 52.63 N ATOM 547 CA VAL A 510 59.111 62.113 -9.746 1.00 50.78 C ATOM 548 C VAL A 510 59.141 63.221 -8.675 1.00 51.21 C ATOM 549 O VAL A 510 59.577 63.000 -7.556 1.00 48.95 O ATOM 550 CB VAL A 510 60.286 62.185 -10.731 1.00 50.34 C ATOM 551 CG1 VAL A 510 61.614 62.319 -10.004 1.00 50.33 C ATOM 552 CG2 VAL A 510 60.311 60.927 -11.575 1.00 50.74 C ATOM 553 H VAL A 510 57.804 62.398 -11.458 1.00 0.00 H ATOM 554 N SER A 511 58.635 64.399 -9.026 1.00 54.36 N ATOM 555 CA SER A 511 58.533 65.533 -8.095 1.00 56.57 C ATOM 556 C SER A 511 57.682 65.249 -6.881 1.00 56.51 C ATOM 557 O SER A 511 57.931 65.751 -5.776 1.00 56.44 O ATOM 558 CB SER A 511 57.922 66.716 -8.807 1.00 57.85 C ATOM 559 OG SER A 511 58.743 67.021 -9.903 1.00 62.22 O ATOM 560 HG SER A 511 58.788 66.239 -10.508 1.00 0.00 H ATOM 561 H SER A 511 58.297 64.524 -10.001 1.00 0.00 H ATOM 562 N ILE A 512 56.637 64.477 -7.122 1.00 56.31 N ATOM 563 CA ILE A 512 55.770 64.020 -6.060 1.00 54.56 C ATOM 564 C ILE A 512 56.514 62.998 -5.212 1.00 52.83 C ATOM 565 O ILE A 512 56.527 63.148 -3.998 1.00 53.45 O ATOM 566 CB ILE A 512 54.404 63.499 -6.609 1.00 53.00 C ATOM 567 CG1 ILE A 512 53.515 64.697 -6.975 1.00 51.08 C ATOM 568 CG2 ILE A 512 53.700 62.603 -5.590 1.00 53.26 C ATOM 569 CD1 ILE A 512 52.337 64.388 -7.863 1.00 50.78 C ATOM 570 H ILE A 512 56.433 64.191 -8.101 1.00 0.00 H ATOM 571 N LEU A 513 57.132 61.999 -5.851 1.00 51.37 N ATOM 572 CA LEU A 513 57.768 60.887 -5.132 1.00 50.50 C ATOM 573 C LEU A 513 58.958 61.313 -4.305 1.00 50.59 C ATOM 574 O LEU A 513 59.134 60.864 -3.183 1.00 49.54 O ATOM 575 CB LEU A 513 58.221 59.783 -6.082 1.00 50.79 C ATOM 576 CG LEU A 513 57.154 58.778 -6.505 1.00 50.50 C ATOM 577 CD1 LEU A 513 57.665 57.969 -7.679 1.00 50.33 C ATOM 578 CD2 LEU A 513 56.775 57.851 -5.362 1.00 49.50 C ATOM 579 H LEU A 513 57.163 62.010 -6.890 1.00 0.00 H ATOM 580 N CYS A 514 59.774 62.198 -4.840 1.00 53.13 N ATOM 581 CA CYS A 514 60.997 62.558 -4.151 1.00 55.10 C ATOM 582 C CYS A 514 60.755 63.427 -2.930 1.00 55.81 C ATOM 583 O CYS A 514 61.699 63.710 -2.222 1.00 63.43 O ATOM 584 CB CYS A 514 61.978 63.237 -5.097 1.00 56.47 C ATOM 585 SG CYS A 514 61.486 64.899 -5.619 1.00 58.63 S ATOM 586 H CYS A 514 59.541 62.637 -5.754 1.00 0.00 H ATOM 587 N GLN A 515 59.527 63.853 -2.683 1.00 53.99 N ATOM 588 CA GLN A 515 59.177 64.547 -1.443 1.00 54.75 C ATOM 589 C GLN A 515 58.781 63.625 -0.304 1.00 50.36 C ATOM 590 O GLN A 515 58.732 64.077 0.811 1.00 49.77 O ATOM 591 CB GLN A 515 57.989 65.470 -1.695 1.00 60.56 C ATOM 592 CG GLN A 515 58.213 66.473 -2.811 1.00 65.90 C ATOM 593 CD GLN A 515 58.556 67.840 -2.285 1.00 69.51 C ATOM 594 OE1 GLN A 515 59.566 68.031 -1.589 1.00 70.05 O ATOM 595 NE2 GLN A 515 57.709 68.817 -2.618 1.00 73.98 N ATOM 596 HE22 GLN A 515 56.876 68.606 -3.204 1.00 0.00 H ATOM 597 HE21 GLN A 515 57.882 69.789 -2.292 1.00 0.00 H ATOM 598 H GLN A 515 58.786 63.689 -3.394 1.00 0.00 H ATOM 599 N LEU A 516 58.493 62.353 -0.579 1.00 47.42 N ATOM 600 CA LEU A 516 57.796 61.478 0.360 1.00 43.71 C ATOM 601 C LEU A 516 58.703 60.661 1.268 1.00 40.40 C ATOM 602 O LEU A 516 59.625 60.046 0.837 1.00 36.34 O ATOM 603 CB LEU A 516 56.925 60.485 -0.395 1.00 45.14 C ATOM 604 CG LEU A 516 55.892 61.041 -1.367 1.00 46.69 C ATOM 605 CD1 LEU A 516 55.237 59.873 -2.112 1.00 47.90 C ATOM 606 CD2 LEU A 516 54.842 61.911 -0.691 1.00 46.76 C ATOM 607 H LEU A 516 58.777 61.967 -1.502 1.00 0.00 H ATOM 608 N ASN A 517 58.323 60.626 2.529 1.00 39.83 N ATOM 609 CA ASN A 517 59.014 59.944 3.563 1.00 39.92 C ATOM 610 C ASN A 517 58.064 59.669 4.703 1.00 38.58 C ATOM 611 O ASN A 517 57.859 60.502 5.573 1.00 38.06 O ATOM 612 CB ASN A 517 60.172 60.800 4.053 1.00 42.95 C ATOM 613 CG ASN A 517 61.493 60.346 3.460 1.00 45.38 C ATOM 614 OD1 ASN A 517 62.078 59.324 3.896 1.00 45.48 O ATOM 615 ND2 ASN A 517 61.960 61.067 2.449 1.00 46.09 N ATOM 616 HD22 ASN A 517 61.438 61.906 2.124 1.00 0.00 H ATOM 617 HD21 ASN A 517 62.848 60.793 1.981 1.00 0.00 H ATOM 618 H ASN A 517 57.453 61.135 2.785 1.00 0.00 H ATOM 619 N HIS A 518 57.466 58.489 4.684 1.00 38.32 N ATOM 620 CA HIS A 518 56.540 58.078 5.740 1.00 37.22 C ATOM 621 C HIS A 518 56.390 56.576 5.699 1.00 35.04 C ATOM 622 O HIS A 518 56.203 56.006 4.621 1.00 34.20 O ATOM 623 CB HIS A 518 55.162 58.742 5.551 1.00 38.31 C ATOM 624 CG HIS A 518 54.254 58.547 6.718 1.00 38.82 C ATOM 625 ND1 HIS A 518 53.417 57.462 6.821 1.00 38.87 N ATOM 626 CD2 HIS A 518 54.122 59.237 7.874 1.00 39.39 C ATOM 627 CE1 HIS A 518 52.780 57.509 7.978 1.00 39.86 C ATOM 628 NE2 HIS A 518 53.187 58.580 8.635 1.00 40.13 N ATOM 629 H HIS A 518 57.659 57.836 3.898 1.00 0.00 H ATOM 630 N PRO A 519 56.418 55.935 6.857 1.00 34.22 N ATOM 631 CA PRO A 519 56.467 54.462 6.813 1.00 35.80 C ATOM 632 C PRO A 519 55.206 53.729 6.308 1.00 36.70 C ATOM 633 O PRO A 519 55.282 52.520 6.087 1.00 37.89 O ATOM 634 CB PRO A 519 56.799 54.063 8.270 1.00 35.70 C ATOM 635 CG PRO A 519 56.411 55.228 9.088 1.00 35.38 C ATOM 636 CD PRO A 519 56.409 56.460 8.226 1.00 34.40 C ATOM 637 N CYS A 520 54.079 54.445 6.191 1.00 36.99 N ATOM 638 CA CYS A 520 52.902 54.010 5.409 1.00 36.23 C ATOM 639 C CYS A 520 52.828 54.506 3.957 1.00 36.62 C ATOM 640 O CYS A 520 51.751 54.428 3.338 1.00 35.89 O ATOM 641 CB CYS A 520 51.632 54.461 6.103 1.00 35.49 C ATOM 642 SG CYS A 520 51.505 53.877 7.783 1.00 34.40 S ATOM 643 H CYS A 520 54.029 55.362 6.680 1.00 0.00 H ATOM 644 N VAL A 521 53.933 55.031 3.412 1.00 36.69 N ATOM 645 CA VAL A 521 53.984 55.405 2.000 1.00 36.13 C ATOM 646 C VAL A 521 55.140 54.690 1.364 1.00 36.72 C ATOM 647 O VAL A 521 56.227 54.691 1.914 1.00 36.71 O ATOM 648 CB VAL A 521 54.190 56.897 1.876 1.00 36.61 C ATOM 649 CG1 VAL A 521 54.329 57.319 0.442 1.00 37.08 C ATOM 650 CG2 VAL A 521 53.000 57.606 2.462 1.00 37.76 C ATOM 651 H VAL A 521 54.774 55.176 4.007 1.00 0.00 H ATOM 652 N ILE A 522 54.919 54.107 0.193 1.00 37.86 N ATOM 653 CA ILE A 522 55.998 53.443 -0.554 1.00 40.16 C ATOM 654 C ILE A 522 57.250 54.293 -0.623 1.00 40.01 C ATOM 655 O ILE A 522 57.169 55.436 -0.961 1.00 38.76 O ATOM 656 CB ILE A 522 55.573 53.053 -2.013 1.00 41.77 C ATOM 657 CG1 ILE A 522 56.448 51.936 -2.546 1.00 43.65 C ATOM 658 CG2 ILE A 522 55.671 54.216 -3.018 1.00 41.74 C ATOM 659 CD1 ILE A 522 56.310 50.654 -1.775 1.00 45.30 C ATOM 660 H ILE A 522 53.959 54.120 -0.207 1.00 0.00 H ATOM 661 N GLN A 523 58.398 53.710 -0.334 1.00 43.01 N ATOM 662 CA GLN A 523 59.669 54.448 -0.222 1.00 47.13 C ATOM 663 C GLN A 523 60.343 54.615 -1.565 1.00 46.05 C ATOM 664 O GLN A 523 60.604 53.629 -2.250 1.00 48.07 O ATOM 665 CB GLN A 523 60.582 53.671 0.690 1.00 53.23 C ATOM 666 CG GLN A 523 61.821 54.376 1.186 1.00 58.86 C ATOM 667 CD GLN A 523 62.697 53.424 2.001 1.00 64.99 C ATOM 668 OE1 GLN A 523 62.331 52.261 2.247 1.00 68.79 O ATOM 669 NE2 GLN A 523 63.873 53.897 2.391 1.00 67.44 N ATOM 670 HE22 GLN A 523 64.141 54.876 2.165 1.00 0.00 H ATOM 671 HE21 GLN A 523 64.528 53.289 2.923 1.00 0.00 H ATOM 672 H GLN A 523 58.406 52.682 -0.178 1.00 0.00 H ATOM 673 N PHE A 524 60.608 55.857 -1.945 1.00 43.06 N ATOM 674 CA PHE A 524 61.237 56.164 -3.220 1.00 42.80 C ATOM 675 C PHE A 524 62.770 55.963 -3.149 1.00 42.26 C ATOM 676 O PHE A 524 63.431 56.397 -2.213 1.00 42.44 O ATOM 677 CB PHE A 524 60.886 57.610 -3.584 1.00 44.06 C ATOM 678 CG PHE A 524 61.509 58.118 -4.866 1.00 45.35 C ATOM 679 CD1 PHE A 524 61.155 57.583 -6.069 1.00 47.09 C ATOM 680 CD2 PHE A 524 62.402 59.162 -4.855 1.00 47.09 C ATOM 681 CE1 PHE A 524 61.701 58.043 -7.242 1.00 48.92 C ATOM 682 CE2 PHE A 524 62.962 59.645 -6.025 1.00 49.11 C ATOM 683 CZ PHE A 524 62.608 59.083 -7.224 1.00 50.01 C ATOM 684 H PHE A 524 60.357 56.640 -1.308 1.00 0.00 H ATOM 685 N VAL A 525 63.320 55.277 -4.136 1.00 42.44 N ATOM 686 CA VAL A 525 64.769 54.994 -4.237 1.00 42.42 C ATOM 687 C VAL A 525 65.466 55.931 -5.245 1.00 43.96 C ATOM 688 O VAL A 525 66.533 56.433 -4.967 1.00 45.90 O ATOM 689 CB VAL A 525 65.025 53.527 -4.653 1.00 40.76 C ATOM 690 CG1 VAL A 525 66.480 53.273 -4.945 1.00 41.26 C ATOM 691 CG2 VAL A 525 64.579 52.592 -3.556 1.00 39.96 C ATOM 692 H VAL A 525 62.697 54.915 -4.886 1.00 0.00 H ATOM 693 N GLY A 526 64.871 56.129 -6.413 1.00 45.31 N ATOM 694 CA GLY A 526 65.423 56.983 -7.453 1.00 46.83 C ATOM 695 C GLY A 526 64.610 56.906 -8.726 1.00 48.62 C ATOM 696 O GLY A 526 63.638 56.176 -8.807 1.00 47.34 O ATOM 697 H GLY A 526 63.966 55.651 -6.594 1.00 0.00 H ATOM 698 N ALA A 527 65.012 57.667 -9.726 1.00 53.03 N ATOM 699 CA ALA A 527 64.429 57.566 -11.069 1.00 56.06 C ATOM 700 C ALA A 527 65.553 57.691 -12.083 1.00 60.15 C ATOM 701 O ALA A 527 66.642 58.138 -11.728 1.00 59.70 O ATOM 702 CB ALA A 527 63.389 58.655 -11.277 1.00 55.44 C ATOM 703 H ALA A 527 65.767 58.362 -9.557 1.00 0.00 H ATOM 704 N CYS A 528 65.312 57.239 -13.317 1.00 64.38 N ATOM 705 CA CYS A 528 66.252 57.460 -14.448 1.00 69.88 C ATOM 706 C CYS A 528 65.772 58.608 -15.347 1.00 73.73 C ATOM 707 O CYS A 528 64.621 58.603 -15.817 1.00 73.42 O ATOM 708 CB CYS A 528 66.467 56.187 -15.294 1.00 70.13 C ATOM 709 SG CYS A 528 67.720 56.345 -16.616 1.00 72.89 S ATOM 710 H CYS A 528 64.433 56.712 -13.493 1.00 0.00 H ATOM 711 N LEU A 529 66.666 59.575 -15.582 1.00 76.09 N ATOM 712 CA LEU A 529 66.357 60.794 -16.354 1.00 79.75 C ATOM 713 C LEU A 529 67.059 60.925 -17.699 1.00 86.24 C ATOM 714 O LEU A 529 66.529 61.586 -18.570 1.00 88.40 O ATOM 715 CB LEU A 529 66.681 62.019 -15.509 1.00 79.40 C ATOM 716 CG LEU A 529 65.932 62.097 -14.184 1.00 77.79 C ATOM 717 CD1 LEU A 529 66.232 63.388 -13.444 1.00 79.24 C ATOM 718 CD2 LEU A 529 64.441 61.982 -14.393 1.00 77.87 C ATOM 719 H LEU A 529 67.627 59.462 -15.201 1.00 0.00 H ATOM 720 N ASN A 530 68.229 60.316 -17.879 1.00 92.95 N ATOM 721 CA ASN A 530 69.010 60.437 -19.128 1.00 98.39 C ATOM 722 C ASN A 530 68.237 60.874 -20.371 1.00104.98 C ATOM 723 O ASN A 530 68.561 61.908 -20.961 1.00110.01 O ATOM 724 CB ASN A 530 69.694 59.112 -19.446 1.00 98.14 C ATOM 725 CG ASN A 530 71.075 59.005 -18.865 1.00 97.93 C ATOM 726 OD1 ASN A 530 71.509 59.852 -18.082 1.00 96.54 O ATOM 727 ND2 ASN A 530 71.779 57.942 -19.235 1.00 98.69 N ATOM 728 HD22 ASN A 530 71.371 57.253 -19.899 1.00 0.00 H ATOM 729 HD21 ASN A 530 72.739 57.798 -18.861 1.00 0.00 H ATOM 730 H ASN A 530 68.610 59.730 -17.108 1.00 0.00 H ATOM 731 N ASP A 531 67.248 60.073 -20.785 1.00107.52 N ATOM 732 CA ASP A 531 66.341 60.460 -21.883 1.00111.11 C ATOM 733 C ASP A 531 64.977 59.748 -21.779 1.00106.88 C ATOM 734 O ASP A 531 64.857 58.760 -21.046 1.00104.70 O ATOM 735 CB ASP A 531 67.021 60.289 -23.284 1.00117.33 C ATOM 736 CG ASP A 531 66.917 58.857 -23.880 1.00119.56 C ATOM 737 OD1 ASP A 531 65.991 58.072 -23.577 1.00118.75 O ATOM 738 OD2 ASP A 531 67.786 58.528 -24.708 1.00121.70 O ATOM 739 H ASP A 531 67.115 59.152 -20.320 1.00 0.00 H ATOM 740 N PRO A 532 63.961 60.231 -22.525 1.00104.30 N ATOM 741 CA PRO A 532 62.620 59.632 -22.480 1.00102.99 C ATOM 742 C PRO A 532 62.517 58.140 -22.774 1.00100.07 C ATOM 743 O PRO A 532 61.606 57.511 -22.248 1.00 96.65 O ATOM 744 CB PRO A 532 61.838 60.425 -23.530 1.00106.48 C ATOM 745 CG PRO A 532 62.515 61.748 -23.568 1.00108.04 C ATOM 746 CD PRO A 532 63.965 61.483 -23.306 1.00107.00 C ATOM 747 N SER A 533 63.422 57.589 -23.593 1.00100.48 N ATOM 748 CA SER A 533 63.458 56.134 -23.874 1.00 99.62 C ATOM 749 C SER A 533 63.860 55.318 -22.638 1.00 99.88 C ATOM 750 O SER A 533 63.494 54.142 -22.526 1.00100.69 O ATOM 751 CB SER A 533 64.410 55.800 -25.034 1.00 99.19 C ATOM 752 OG SER A 533 65.769 55.866 -24.629 1.00 97.18 O ATOM 753 HG SER A 533 65.973 56.781 -24.310 1.00 0.00 H ATOM 754 H SER A 533 64.126 58.205 -24.049 1.00 0.00 H ATOM 755 N GLN A 534 64.616 55.946 -21.730 1.00 97.93 N ATOM 756 CA GLN A 534 65.080 55.313 -20.495 1.00 93.61 C ATOM 757 C GLN A 534 64.272 55.653 -19.229 1.00 88.25 C ATOM 758 O GLN A 534 64.590 55.130 -18.162 1.00 86.83 O ATOM 759 CB GLN A 534 66.538 55.685 -20.291 1.00 94.84 C ATOM 760 CG GLN A 534 67.414 55.225 -21.440 1.00 98.44 C ATOM 761 CD GLN A 534 68.886 55.462 -21.160 1.00 99.33 C ATOM 762 OE1 GLN A 534 69.277 56.515 -20.672 1.00 99.80 O ATOM 763 NE2 GLN A 534 69.708 54.478 -21.458 1.00 99.43 N ATOM 764 HE22 GLN A 534 69.338 53.598 -21.871 1.00 0.00 H ATOM 765 HE21 GLN A 534 70.728 54.580 -21.280 1.00 0.00 H ATOM 766 H GLN A 534 64.887 56.933 -21.911 1.00 0.00 H ATOM 767 N PHE A 535 63.236 56.497 -19.343 1.00 83.58 N ATOM 768 CA PHE A 535 62.466 56.968 -18.171 1.00 78.04 C ATOM 769 C PHE A 535 61.980 55.819 -17.288 1.00 73.22 C ATOM 770 O PHE A 535 61.321 54.897 -17.763 1.00 72.64 O ATOM 771 CB PHE A 535 61.257 57.844 -18.576 1.00 76.83 C ATOM 772 CG PHE A 535 61.585 59.289 -18.907 1.00 76.80 C ATOM 773 CD1 PHE A 535 62.842 59.865 -18.671 1.00 77.10 C ATOM 774 CD2 PHE A 535 60.588 60.098 -19.424 1.00 75.08 C ATOM 775 CE1 PHE A 535 63.079 61.198 -18.979 1.00 78.84 C ATOM 776 CE2 PHE A 535 60.827 61.424 -19.733 1.00 76.03 C ATOM 777 CZ PHE A 535 62.070 61.979 -19.517 1.00 78.19 C ATOM 778 H PHE A 535 62.964 56.832 -20.289 1.00 0.00 H ATOM 779 N ALA A 536 62.323 55.890 -16.000 1.00 69.43 N ATOM 780 CA ALA A 536 61.988 54.832 -15.036 1.00 65.88 C ATOM 781 C ALA A 536 61.990 55.304 -13.579 1.00 61.67 C ATOM 782 O ALA A 536 62.807 56.138 -13.187 1.00 60.87 O ATOM 783 CB ALA A 536 62.923 53.640 -15.191 1.00 66.67 C ATOM 784 H ALA A 536 62.846 56.724 -15.666 1.00 0.00 H ATOM 785 N ILE A 537 61.074 54.730 -12.801 1.00 57.40 N ATOM 786 CA ILE A 537 60.920 55.015 -11.410 1.00 54.61 C ATOM 787 C ILE A 537 61.225 53.763 -10.574 1.00 51.68 C ATOM 788 O ILE A 537 60.736 52.686 -10.862 1.00 52.73 O ATOM 789 CB ILE A 537 59.518 55.548 -11.193 1.00 55.81 C ATOM 790 CG1 ILE A 537 59.499 57.011 -11.634 1.00 60.30 C ATOM 791 CG2 ILE A 537 59.105 55.461 -9.739 1.00 55.15 C ATOM 792 CD1 ILE A 537 58.103 57.577 -11.850 1.00 62.98 C ATOM 793 H ILE A 537 60.433 54.033 -13.232 1.00 0.00 H ATOM 794 N VAL A 538 62.015 53.927 -9.518 1.00 48.76 N ATOM 795 CA VAL A 538 62.433 52.839 -8.645 1.00 46.38 C ATOM 796 C VAL A 538 62.004 53.082 -7.187 1.00 44.41 C ATOM 797 O VAL A 538 62.289 54.122 -6.620 1.00 41.67 O ATOM 798 CB VAL A 538 63.958 52.661 -8.715 1.00 46.48 C ATOM 799 CG1 VAL A 538 64.372 51.357 -8.040 1.00 46.66 C ATOM 800 CG2 VAL A 538 64.428 52.662 -10.170 1.00 47.25 C ATOM 801 H VAL A 538 62.354 54.886 -9.303 1.00 0.00 H ATOM 802 N THR A 539 61.294 52.115 -6.605 1.00 44.56 N ATOM 803 CA THR A 539 60.891 52.166 -5.198 1.00 44.74 C ATOM 804 C THR A 539 61.308 50.883 -4.516 1.00 44.64 C ATOM 805 O THR A 539 61.709 49.948 -5.183 1.00 45.22 O ATOM 806 CB THR A 539 59.359 52.256 -5.050 1.00 44.75 C ATOM 807 OG1 THR A 539 58.751 51.042 -5.554 1.00 43.75 O ATOM 808 CG2 THR A 539 58.831 53.510 -5.769 1.00 44.86 C ATOM 809 HG1 THR A 539 59.087 50.267 -5.038 1.00 0.00 H ATOM 810 H THR A 539 61.015 51.290 -7.174 1.00 0.00 H ATOM 811 N GLN A 540 61.150 50.826 -3.195 1.00 44.00 N ATOM 812 CA GLN A 540 61.241 49.568 -2.470 1.00 44.20 C ATOM 813 C GLN A 540 60.238 48.570 -3.057 1.00 43.64 C ATOM 814 O GLN A 540 59.247 48.937 -3.699 1.00 41.15 O ATOM 815 CB GLN A 540 60.980 49.754 -0.957 1.00 45.15 C ATOM 816 CG GLN A 540 59.503 50.001 -0.596 1.00 46.57 C ATOM 817 CD GLN A 540 59.197 50.266 0.895 1.00 46.05 C ATOM 818 OE1 GLN A 540 58.555 51.291 1.244 1.00 45.51 O ATOM 819 NE2 GLN A 540 59.584 49.318 1.767 1.00 45.30 N ATOM 820 HE22 GLN A 540 60.113 48.488 1.432 1.00 0.00 H ATOM 821 HE21 GLN A 540 59.354 49.415 2.777 1.00 0.00 H ATOM 822 H GLN A 540 60.957 51.702 -2.669 1.00 0.00 H ATOM 823 N TYR A 541 60.546 47.309 -2.815 1.00 45.60 N ATOM 824 CA TYR A 541 59.706 46.168 -3.142 1.00 47.95 C ATOM 825 C TYR A 541 59.165 45.612 -1.841 1.00 47.31 C ATOM 826 O TYR A 541 59.898 45.420 -0.906 1.00 45.79 O ATOM 827 CB TYR A 541 60.511 45.083 -3.830 1.00 49.90 C ATOM 828 CG TYR A 541 59.772 43.793 -4.103 1.00 51.87 C ATOM 829 CD1 TYR A 541 58.911 43.681 -5.204 1.00 54.05 C ATOM 830 CD2 TYR A 541 59.968 42.664 -3.306 1.00 52.74 C ATOM 831 CE1 TYR A 541 58.253 42.486 -5.495 1.00 55.79 C ATOM 832 CE2 TYR A 541 59.322 41.461 -3.587 1.00 54.56 C ATOM 833 CZ TYR A 541 58.463 41.376 -4.679 1.00 56.19 C ATOM 834 OH TYR A 541 57.818 40.194 -4.969 1.00 57.40 O ATOM 835 HH TYR A 541 57.253 40.316 -5.772 1.00 0.00 H ATOM 836 H TYR A 541 61.459 47.117 -2.355 1.00 0.00 H ATOM 837 N ILE A 542 57.861 45.373 -1.811 1.00 48.59 N ATOM 838 CA ILE A 542 57.160 44.913 -0.643 1.00 46.88 C ATOM 839 C ILE A 542 56.720 43.496 -0.946 1.00 47.14 C ATOM 840 O ILE A 542 55.977 43.265 -1.907 1.00 47.18 O ATOM 841 CB ILE A 542 55.975 45.833 -0.388 1.00 47.29 C ATOM 842 CG1 ILE A 542 56.509 47.256 -0.211 1.00 46.35 C ATOM 843 CG2 ILE A 542 55.161 45.296 0.780 1.00 48.53 C ATOM 844 CD1 ILE A 542 56.096 47.969 1.057 1.00 46.57 C ATOM 845 H ILE A 542 57.314 45.527 -2.682 1.00 0.00 H ATOM 846 N SER A 543 57.202 42.553 -0.141 1.00 46.21 N ATOM 847 CA SER A 543 57.170 41.140 -0.522 1.00 47.18 C ATOM 848 C SER A 543 55.812 40.517 -0.335 1.00 45.87 C ATOM 849 O SER A 543 55.506 39.485 -0.958 1.00 45.75 O ATOM 850 CB SER A 543 58.217 40.321 0.253 1.00 47.84 C ATOM 851 OG SER A 543 57.725 39.927 1.526 1.00 47.88 O ATOM 852 HG SER A 543 58.419 39.403 1.999 1.00 0.00 H ATOM 853 H SER A 543 57.609 42.825 0.776 1.00 0.00 H ATOM 854 N GLY A 544 55.017 41.117 0.536 1.00 43.36 N ATOM 855 CA GLY A 544 53.747 40.503 0.879 1.00 44.59 C ATOM 856 C GLY A 544 52.608 40.789 -0.078 1.00 43.65 C ATOM 857 O GLY A 544 51.491 40.311 0.122 1.00 42.47 O ATOM 858 H GLY A 544 55.299 42.019 0.970 1.00 0.00 H ATOM 859 N GLY A 545 52.874 41.603 -1.091 1.00 43.75 N ATOM 860 CA GLY A 545 51.924 41.807 -2.164 1.00 45.29 C ATOM 861 C GLY A 545 50.876 42.886 -1.954 1.00 45.36 C ATOM 862 O GLY A 545 50.919 43.664 -0.982 1.00 42.15 O ATOM 863 H GLY A 545 53.784 42.105 -1.115 1.00 0.00 H ATOM 864 N SER A 546 49.921 42.900 -2.888 1.00 46.77 N ATOM 865 CA SER A 546 48.837 43.860 -2.873 1.00 46.82 C ATOM 866 C SER A 546 47.694 43.316 -2.013 1.00 50.30 C ATOM 867 O SER A 546 47.530 42.076 -1.847 1.00 52.35 O ATOM 868 CB SER A 546 48.356 44.223 -4.289 1.00 45.70 C ATOM 869 OG SER A 546 47.500 43.256 -4.897 1.00 46.57 O ATOM 870 HG SER A 546 47.979 42.393 -4.970 1.00 0.00 H ATOM 871 H SER A 546 49.957 42.196 -3.653 1.00 0.00 H ATOM 872 N LEU A 547 46.933 44.268 -1.457 1.00 50.84 N ATOM 873 CA LEU A 547 45.745 43.989 -0.677 1.00 51.10 C ATOM 874 C LEU A 547 44.727 43.271 -1.555 1.00 51.48 C ATOM 875 O LEU A 547 44.054 42.336 -1.099 1.00 53.22 O ATOM 876 CB LEU A 547 45.167 45.295 -0.123 1.00 50.36 C ATOM 877 CG LEU A 547 43.908 45.166 0.738 1.00 51.90 C ATOM 878 CD1 LEU A 547 44.099 44.308 1.982 1.00 53.05 C ATOM 879 CD2 LEU A 547 43.462 46.550 1.129 1.00 51.84 C ATOM 880 H LEU A 547 47.210 45.261 -1.593 1.00 0.00 H ATOM 881 N PHE A 548 44.623 43.714 -2.808 1.00 49.95 N ATOM 882 CA PHE A 548 43.761 43.071 -3.791 1.00 50.55 C ATOM 883 C PHE A 548 44.043 41.553 -3.896 1.00 52.88 C ATOM 884 O PHE A 548 43.118 40.707 -3.752 1.00 52.24 O ATOM 885 CB PHE A 548 43.937 43.738 -5.149 1.00 49.58 C ATOM 886 CG PHE A 548 42.982 43.236 -6.187 1.00 50.40 C ATOM 887 CD1 PHE A 548 43.284 42.091 -6.938 1.00 50.43 C ATOM 888 CD2 PHE A 548 41.764 43.895 -6.413 1.00 48.83 C ATOM 889 CE1 PHE A 548 42.391 41.644 -7.889 1.00 51.11 C ATOM 890 CE2 PHE A 548 40.869 43.434 -7.360 1.00 48.53 C ATOM 891 CZ PHE A 548 41.186 42.314 -8.102 1.00 50.22 C ATOM 892 H PHE A 548 45.176 44.547 -3.094 1.00 0.00 H ATOM 893 N SER A 549 45.319 41.216 -4.109 1.00 52.69 N ATOM 894 CA SER A 549 45.738 39.807 -4.160 1.00 54.35 C ATOM 895 C SER A 549 45.367 39.028 -2.900 1.00 54.38 C ATOM 896 O SER A 549 44.775 37.965 -2.995 1.00 56.46 O ATOM 897 CB SER A 549 47.229 39.687 -4.377 1.00 53.63 C ATOM 898 OG SER A 549 47.591 40.402 -5.527 1.00 52.10 O ATOM 899 HG SER A 549 47.349 41.355 -5.412 1.00 0.00 H ATOM 900 H SER A 549 46.029 41.964 -4.241 1.00 0.00 H ATOM 901 N LEU A 550 45.699 39.567 -1.730 1.00 52.27 N ATOM 902 CA LEU A 550 45.372 38.895 -0.481 1.00 51.89 C ATOM 903 C LEU A 550 43.888 38.593 -0.456 1.00 51.97 C ATOM 904 O LEU A 550 43.523 37.454 -0.259 1.00 53.49 O ATOM 905 CB LEU A 550 45.809 39.722 0.730 1.00 50.60 C ATOM 906 CG LEU A 550 45.654 39.084 2.106 1.00 51.92 C ATOM 907 CD1 LEU A 550 46.609 39.643 3.138 1.00 51.61 C ATOM 908 CD2 LEU A 550 44.251 39.334 2.631 1.00 54.20 C ATOM 909 H LEU A 550 46.198 40.479 -1.707 1.00 0.00 H ATOM 910 N LEU A 551 43.046 39.595 -0.701 1.00 51.55 N ATOM 911 CA LEU A 551 41.609 39.468 -0.448 1.00 52.46 C ATOM 912 C LEU A 551 40.894 38.639 -1.498 1.00 53.98 C ATOM 913 O LEU A 551 40.064 37.811 -1.158 1.00 53.50 O ATOM 914 CB LEU A 551 40.946 40.836 -0.380 1.00 51.33 C ATOM 915 CG LEU A 551 41.376 41.762 0.767 1.00 51.23 C ATOM 916 CD1 LEU A 551 40.748 43.134 0.569 1.00 50.40 C ATOM 917 CD2 LEU A 551 40.993 41.211 2.138 1.00 52.38 C ATOM 918 H LEU A 551 43.418 40.489 -1.081 1.00 0.00 H ATOM 919 N HIS A 552 41.219 38.871 -2.766 1.00 54.58 N ATOM 920 CA HIS A 552 40.424 38.344 -3.872 1.00 55.77 C ATOM 921 C HIS A 552 41.095 37.246 -4.663 1.00 58.09 C ATOM 922 O HIS A 552 40.402 36.509 -5.327 1.00 61.89 O ATOM 923 CB HIS A 552 40.017 39.480 -4.815 1.00 54.17 C ATOM 924 CG HIS A 552 39.572 40.710 -4.092 1.00 52.97 C ATOM 925 ND1 HIS A 552 38.582 40.687 -3.138 1.00 54.43 N ATOM 926 CD2 HIS A 552 40.014 41.984 -4.133 1.00 51.99 C ATOM 927 CE1 HIS A 552 38.412 41.895 -2.638 1.00 52.59 C ATOM 928 NE2 HIS A 552 39.271 42.704 -3.226 1.00 52.08 N ATOM 929 H HIS A 552 42.062 39.443 -2.976 1.00 0.00 H ATOM 930 N GLU A 553 42.420 37.147 -4.646 1.00 58.95 N ATOM 931 CA GLU A 553 43.126 36.066 -5.378 1.00 62.20 C ATOM 932 C GLU A 553 43.469 34.902 -4.458 1.00 65.15 C ATOM 933 O GLU A 553 42.953 33.809 -4.614 1.00 69.44 O ATOM 934 CB GLU A 553 44.372 36.605 -6.109 1.00 59.83 C ATOM 935 CG GLU A 553 44.004 37.344 -7.391 1.00 58.60 C ATOM 936 CD GLU A 553 45.087 38.252 -7.918 1.00 56.64 C ATOM 937 OE1 GLU A 553 46.286 38.106 -7.551 1.00 55.01 O ATOM 938 OE2 GLU A 553 44.713 39.114 -8.732 1.00 55.17 O ATOM 939 H GLU A 553 42.975 37.843 -4.108 1.00 0.00 H ATOM 940 N GLN A 554 44.291 35.179 -3.462 1.00 67.65 N ATOM 941 CA GLN A 554 44.600 34.232 -2.407 1.00 69.87 C ATOM 942 C GLN A 554 43.440 34.057 -1.400 1.00 72.10 C ATOM 943 O GLN A 554 43.519 33.209 -0.535 1.00 74.73 O ATOM 944 CB GLN A 554 45.884 34.654 -1.690 1.00 68.57 C ATOM 945 CG GLN A 554 47.069 34.775 -2.628 1.00 69.02 C ATOM 946 CD GLN A 554 48.115 35.746 -2.103 1.00 72.28 C ATOM 947 OE1 GLN A 554 47.819 36.890 -1.767 1.00 70.32 O ATOM 948 NE2 GLN A 554 49.362 35.293 -2.036 1.00 78.37 N ATOM 949 HE22 GLN A 554 49.578 34.319 -2.329 1.00 0.00 H ATOM 950 HE21 GLN A 554 50.123 35.913 -1.691 1.00 0.00 H ATOM 951 H GLN A 554 44.737 36.118 -3.433 1.00 0.00 H ATOM 952 N LYS A 555 42.387 34.866 -1.486 1.00 75.05 N ATOM 953 CA LYS A 555 41.174 34.701 -0.659 1.00 78.48 C ATOM 954 C LYS A 555 41.455 34.373 0.808 1.00 78.25 C ATOM 955 O LYS A 555 40.737 33.588 1.422 1.00 79.13 O ATOM 956 CB LYS A 555 40.210 33.685 -1.303 1.00 82.62 C ATOM 957 CG LYS A 555 39.489 34.240 -2.522 1.00 85.39 C ATOM 958 CD LYS A 555 38.652 33.185 -3.185 1.00 93.22 C ATOM 959 CE LYS A 555 37.942 33.708 -4.419 1.00 95.68 C ATOM 960 NZ LYS A 555 37.159 32.590 -5.022 1.00103.35 N ATOM 961 HZ1 LYS A 555 37.805 31.818 -5.283 1.00 0.00 H ATOM 962 HZ2 LYS A 555 36.463 32.243 -4.331 1.00 0.00 H ATOM 963 HZ3 LYS A 555 36.665 32.933 -5.871 1.00 0.00 H ATOM 964 H LYS A 555 42.419 35.651 -2.167 1.00 0.00 H ATOM 965 N ARG A 556 42.497 35.000 1.363 1.00 78.38 N ATOM 966 CA ARG A 556 42.921 34.734 2.737 1.00 79.07 C ATOM 967 C ARG A 556 41.951 35.383 3.705 1.00 75.63 C ATOM 968 O ARG A 556 41.461 36.485 3.460 1.00 77.63 O ATOM 969 CB ARG A 556 44.343 35.224 2.996 1.00 80.81 C ATOM 970 CG ARG A 556 45.000 34.509 4.180 1.00 86.59 C ATOM 971 CD ARG A 556 46.509 34.744 4.282 1.00 87.06 C ATOM 972 NE ARG A 556 46.838 35.931 5.088 1.00 87.24 N ATOM 973 CZ ARG A 556 48.054 36.259 5.514 1.00 85.42 C ATOM 974 NH1 ARG A 556 48.224 37.357 6.242 1.00 83.42 N ATOM 975 NH2 ARG A 556 49.102 35.494 5.227 1.00 87.36 N ATOM 976 HE ARG A 556 46.055 36.565 5.345 1.00 0.00 H ATOM 977 HH12 ARG A 556 49.174 37.617 6.577 1.00 0.00 H ATOM 978 HH11 ARG A 556 47.407 37.957 6.477 1.00 0.00 H ATOM 979 HH22 ARG A 556 50.049 35.760 5.566 1.00 0.00 H ATOM 980 HH21 ARG A 556 48.976 34.629 4.664 1.00 0.00 H ATOM 981 H ARG A 556 43.023 35.699 0.800 1.00 0.00 H ATOM 982 N ILE A 557 41.645 34.683 4.786 1.00 73.19 N ATOM 983 CA ILE A 557 40.680 35.178 5.754 1.00 72.07 C ATOM 984 C ILE A 557 41.486 35.903 6.817 1.00 70.15 C ATOM 985 O ILE A 557 42.460 35.367 7.329 1.00 71.78 O ATOM 986 CB ILE A 557 39.837 34.036 6.358 1.00 74.39 C ATOM 987 CG1 ILE A 557 39.146 33.194 5.260 1.00 75.67 C ATOM 988 CG2 ILE A 557 38.788 34.562 7.323 1.00 73.45 C ATOM 989 CD1 ILE A 557 38.183 33.933 4.355 1.00 74.25 C ATOM 990 H ILE A 557 42.103 33.763 4.946 1.00 0.00 H ATOM 991 N LEU A 558 41.089 37.135 7.119 1.00 67.83 N ATOM 992 CA LEU A 558 41.768 37.973 8.104 1.00 65.75 C ATOM 993 C LEU A 558 40.791 38.274 9.217 1.00 64.07 C ATOM 994 O LEU A 558 39.604 38.423 8.956 1.00 62.97 O ATOM 995 CB LEU A 558 42.155 39.302 7.471 1.00 65.22 C ATOM 996 CG LEU A 558 43.207 39.315 6.372 1.00 65.24 C ATOM 997 CD1 LEU A 558 43.285 40.698 5.777 1.00 65.27 C ATOM 998 CD2 LEU A 558 44.569 38.930 6.906 1.00 66.36 C ATOM 999 H LEU A 558 40.256 37.521 6.631 1.00 0.00 H ATOM 1000 N ASP A 559 41.288 38.393 10.442 1.00 62.86 N ATOM 1001 CA ASP A 559 40.453 38.818 11.554 1.00 63.09 C ATOM 1002 C ASP A 559 40.376 40.338 11.636 1.00 61.96 C ATOM 1003 O ASP A 559 41.088 41.033 10.951 1.00 57.81 O ATOM 1004 CB ASP A 559 40.930 38.217 12.872 1.00 65.46 C ATOM 1005 CG ASP A 559 42.277 38.748 13.324 1.00 66.31 C ATOM 1006 OD1 ASP A 559 43.130 39.063 12.459 1.00 64.36 O ATOM 1007 OD2 ASP A 559 42.483 38.816 14.561 1.00 69.50 O ATOM 1008 H ASP A 559 42.292 38.179 10.609 1.00 0.00 H ATOM 1009 N LEU A 560 39.492 40.836 12.496 1.00 65.37 N ATOM 1010 CA LEU A 560 39.197 42.267 12.596 1.00 64.23 C ATOM 1011 C LEU A 560 40.432 43.100 12.964 1.00 62.85 C ATOM 1012 O LEU A 560 40.583 44.230 12.507 1.00 59.78 O ATOM 1013 CB LEU A 560 38.048 42.521 13.591 1.00 65.75 C ATOM 1014 CG LEU A 560 37.462 43.945 13.658 1.00 67.81 C ATOM 1015 CD1 LEU A 560 36.911 44.428 12.306 1.00 66.46 C ATOM 1016 CD2 LEU A 560 36.375 44.054 14.731 1.00 69.46 C ATOM 1017 H LEU A 560 38.988 40.180 13.126 1.00 0.00 H ATOM 1018 N GLN A 561 41.322 42.546 13.771 1.00 64.13 N ATOM 1019 CA GLN A 561 42.480 43.305 14.175 1.00 64.75 C ATOM 1020 C GLN A 561 43.417 43.527 12.958 1.00 63.07 C ATOM 1021 O GLN A 561 43.892 44.646 12.715 1.00 61.39 O ATOM 1022 CB GLN A 561 43.193 42.607 15.316 1.00 68.45 C ATOM 1023 CG GLN A 561 44.335 43.431 15.861 1.00 70.49 C ATOM 1024 CD GLN A 561 45.190 42.683 16.849 1.00 76.81 C ATOM 1025 OE1 GLN A 561 45.117 41.441 17.003 1.00 78.54 O ATOM 1026 NE2 GLN A 561 46.021 43.443 17.548 1.00 81.13 N ATOM 1027 HE22 GLN A 561 46.047 44.470 17.386 1.00 0.00 H ATOM 1028 HE21 GLN A 561 46.647 43.012 18.258 1.00 0.00 H ATOM 1029 H GLN A 561 41.188 41.572 14.111 1.00 0.00 H ATOM 1030 N SER A 562 43.670 42.467 12.194 1.00 60.78 N ATOM 1031 CA SER A 562 44.533 42.560 11.018 1.00 57.93 C ATOM 1032 C SER A 562 43.990 43.543 9.991 1.00 55.95 C ATOM 1033 O SER A 562 44.734 44.350 9.458 1.00 58.73 O ATOM 1034 CB SER A 562 44.682 41.186 10.373 1.00 59.91 C ATOM 1035 OG SER A 562 45.093 40.182 11.310 1.00 60.75 O ATOM 1036 HG SER A 562 44.419 40.110 12.031 1.00 0.00 H ATOM 1037 H SER A 562 43.244 41.551 12.440 1.00 0.00 H ATOM 1038 N LYS A 563 42.682 43.466 9.745 1.00 54.07 N ATOM 1039 CA LYS A 563 41.937 44.379 8.862 1.00 49.86 C ATOM 1040 C LYS A 563 42.054 45.826 9.271 1.00 48.36 C ATOM 1041 O LYS A 563 42.290 46.696 8.439 1.00 46.07 O ATOM 1042 CB LYS A 563 40.448 44.015 8.858 1.00 49.21 C ATOM 1043 CG LYS A 563 40.113 42.742 8.067 1.00 49.65 C ATOM 1044 CD LYS A 563 38.613 42.543 8.020 1.00 48.85 C ATOM 1045 CE LYS A 563 38.195 41.269 7.348 1.00 49.08 C ATOM 1046 NZ LYS A 563 36.845 40.973 7.869 1.00 51.05 N ATOM 1047 HZ1 LYS A 563 36.890 40.861 8.902 1.00 0.00 H ATOM 1048 HZ2 LYS A 563 36.204 41.757 7.632 1.00 0.00 H ATOM 1049 HZ3 LYS A 563 36.494 40.094 7.439 1.00 0.00 H ATOM 1050 H LYS A 563 42.148 42.705 10.211 1.00 0.00 H ATOM 1051 N LEU A 564 41.853 46.087 10.554 1.00 48.74 N ATOM 1052 CA LEU A 564 41.934 47.452 11.043 1.00 48.36 C ATOM 1053 C LEU A 564 43.324 47.974 10.961 1.00 46.85 C ATOM 1054 O LEU A 564 43.504 49.099 10.541 1.00 46.37 O ATOM 1055 CB LEU A 564 41.417 47.586 12.468 1.00 50.49 C ATOM 1056 CG LEU A 564 39.898 47.411 12.581 1.00 51.78 C ATOM 1057 CD1 LEU A 564 39.500 47.421 14.057 1.00 53.23 C ATOM 1058 CD2 LEU A 564 39.132 48.457 11.776 1.00 50.65 C ATOM 1059 H LEU A 564 41.637 45.312 11.213 1.00 0.00 H ATOM 1060 N ILE A 565 44.310 47.153 11.311 1.00 47.59 N ATOM 1061 CA ILE A 565 45.742 47.547 11.175 1.00 46.78 C ATOM 1062 C ILE A 565 46.045 48.056 9.779 1.00 44.33 C ATOM 1063 O ILE A 565 46.561 49.177 9.638 1.00 42.97 O ATOM 1064 CB ILE A 565 46.716 46.421 11.613 1.00 47.36 C ATOM 1065 CG1 ILE A 565 46.730 46.375 13.157 1.00 48.88 C ATOM 1066 CG2 ILE A 565 48.126 46.691 11.126 1.00 46.12 C ATOM 1067 CD1 ILE A 565 47.408 45.176 13.761 1.00 50.24 C ATOM 1068 H ILE A 565 44.077 46.213 11.689 1.00 0.00 H ATOM 1069 N ILE A 566 45.626 47.272 8.778 1.00 43.03 N ATOM 1070 CA ILE A 566 45.688 47.675 7.357 1.00 41.62 C ATOM 1071 C ILE A 566 44.969 49.003 7.104 1.00 41.42 C ATOM 1072 O ILE A 566 45.516 49.917 6.539 1.00 40.21 O ATOM 1073 CB ILE A 566 45.128 46.581 6.427 1.00 40.93 C ATOM 1074 CG1 ILE A 566 46.049 45.354 6.474 1.00 42.04 C ATOM 1075 CG2 ILE A 566 45.013 47.083 4.997 1.00 39.53 C ATOM 1076 CD1 ILE A 566 45.471 44.087 5.889 1.00 43.33 C ATOM 1077 H ILE A 566 45.239 46.335 9.011 1.00 0.00 H ATOM 1078 N ALA A 567 43.735 49.097 7.551 1.00 44.44 N ATOM 1079 CA ALA A 567 42.939 50.322 7.378 1.00 45.61 C ATOM 1080 C ALA A 567 43.610 51.545 8.019 1.00 45.79 C ATOM 1081 O ALA A 567 43.546 52.653 7.464 1.00 43.57 O ATOM 1082 CB ALA A 567 41.543 50.120 7.954 1.00 46.75 C ATOM 1083 H ALA A 567 43.311 48.283 8.040 1.00 0.00 H ATOM 1084 N VAL A 568 44.268 51.333 9.163 1.00 46.51 N ATOM 1085 CA VAL A 568 44.896 52.428 9.888 1.00 47.57 C ATOM 1086 C VAL A 568 46.161 52.899 9.190 1.00 45.53 C ATOM 1087 O VAL A 568 46.390 54.093 9.060 1.00 45.69 O ATOM 1088 CB VAL A 568 45.253 52.043 11.327 1.00 50.85 C ATOM 1089 CG1 VAL A 568 46.002 53.169 12.003 1.00 52.17 C ATOM 1090 CG2 VAL A 568 43.992 51.806 12.136 1.00 53.79 C ATOM 1091 H VAL A 568 44.333 50.367 9.543 1.00 0.00 H ATOM 1092 N ASP A 569 46.995 51.967 8.768 1.00 42.96 N ATOM 1093 CA ASP A 569 48.218 52.336 8.089 1.00 40.84 C ATOM 1094 C ASP A 569 47.881 53.059 6.780 1.00 39.54 C ATOM 1095 O ASP A 569 48.492 54.065 6.460 1.00 39.39 O ATOM 1096 CB ASP A 569 49.087 51.102 7.803 1.00 40.77 C ATOM 1097 CG ASP A 569 49.694 50.444 9.084 1.00 40.59 C ATOM 1098 OD1 ASP A 569 49.776 51.012 10.209 1.00 40.43 O ATOM 1099 OD2 ASP A 569 50.146 49.310 8.924 1.00 39.77 O ATOM 1100 H ASP A 569 46.772 50.963 8.924 1.00 0.00 H ATOM 1101 N VAL A 570 46.895 52.580 6.034 1.00 38.68 N ATOM 1102 CA VAL A 570 46.491 53.299 4.829 1.00 38.17 C ATOM 1103 C VAL A 570 46.055 54.724 5.184 1.00 38.31 C ATOM 1104 O VAL A 570 46.489 55.713 4.550 1.00 36.78 O ATOM 1105 CB VAL A 570 45.405 52.565 4.038 1.00 37.08 C ATOM 1106 CG1 VAL A 570 44.926 53.392 2.853 1.00 36.25 C ATOM 1107 CG2 VAL A 570 45.978 51.284 3.503 1.00 38.14 C ATOM 1108 H VAL A 570 46.413 51.699 6.305 1.00 0.00 H ATOM 1109 N ALA A 571 45.210 54.822 6.201 1.00 39.00 N ATOM 1110 CA ALA A 571 44.747 56.144 6.660 1.00 39.80 C ATOM 1111 C ALA A 571 45.891 57.034 7.128 1.00 38.65 C ATOM 1112 O ALA A 571 45.843 58.226 6.940 1.00 37.87 O ATOM 1113 CB ALA A 571 43.674 56.021 7.752 1.00 40.05 C ATOM 1114 H ALA A 571 44.872 53.962 6.677 1.00 0.00 H ATOM 1115 N LYS A 572 46.903 56.440 7.733 1.00 39.12 N ATOM 1116 CA LYS A 572 48.061 57.191 8.189 1.00 41.15 C ATOM 1117 C LYS A 572 48.931 57.722 7.029 1.00 41.15 C ATOM 1118 O LYS A 572 49.478 58.830 7.089 1.00 42.16 O ATOM 1119 CB LYS A 572 48.932 56.342 9.122 1.00 42.25 C ATOM 1120 CG LYS A 572 48.462 56.248 10.559 1.00 43.15 C ATOM 1121 CD LYS A 572 49.459 55.436 11.328 1.00 44.93 C ATOM 1122 CE LYS A 572 49.000 55.247 12.743 1.00 48.59 C ATOM 1123 NZ LYS A 572 49.770 54.105 13.307 1.00 52.83 N ATOM 1124 HZ1 LYS A 572 49.583 53.251 12.744 1.00 0.00 H ATOM 1125 HZ2 LYS A 572 50.786 54.325 13.278 1.00 0.00 H ATOM 1126 HZ3 LYS A 572 49.477 53.944 14.292 1.00 0.00 H ATOM 1127 H LYS A 572 46.871 55.412 7.887 1.00 0.00 H ATOM 1128 N GLY A 573 49.090 56.915 5.996 1.00 41.35 N ATOM 1129 CA GLY A 573 49.793 57.359 4.800 1.00 41.51 C ATOM 1130 C GLY A 573 49.072 58.498 4.119 1.00 42.17 C ATOM 1131 O GLY A 573 49.715 59.404 3.587 1.00 42.96 O ATOM 1132 H GLY A 573 48.708 55.949 6.037 1.00 0.00 H ATOM 1133 N MET A 574 47.736 58.445 4.140 1.00 41.24 N ATOM 1134 CA MET A 574 46.913 59.421 3.449 1.00 39.82 C ATOM 1135 C MET A 574 46.829 60.712 4.262 1.00 39.92 C ATOM 1136 O MET A 574 46.767 61.803 3.682 1.00 40.50 O ATOM 1137 CB MET A 574 45.495 58.865 3.196 1.00 38.60 C ATOM 1138 CG MET A 574 45.390 57.662 2.297 1.00 36.62 C ATOM 1139 SD MET A 574 46.182 57.887 0.731 1.00 35.01 S ATOM 1140 CE MET A 574 45.396 59.313 0.070 1.00 36.78 C ATOM 1141 H MET A 574 47.271 57.679 4.669 1.00 0.00 H ATOM 1142 N GLU A 575 46.779 60.588 5.589 1.00 39.53 N ATOM 1143 CA GLU A 575 46.864 61.761 6.473 1.00 40.93 C ATOM 1144 C GLU A 575 48.186 62.525 6.176 1.00 42.19 C ATOM 1145 O GLU A 575 48.216 63.763 6.169 1.00 42.88 O ATOM 1146 CB GLU A 575 46.787 61.360 7.971 1.00 41.14 C ATOM 1147 CG GLU A 575 47.071 62.485 8.965 1.00 41.64 C ATOM 1148 CD GLU A 575 47.039 62.073 10.424 1.00 43.31 C ATOM 1149 OE1 GLU A 575 47.418 60.940 10.818 1.00 44.42 O ATOM 1150 OE2 GLU A 575 46.674 62.932 11.217 1.00 45.35 O ATOM 1151 H GLU A 575 46.678 59.642 6.008 1.00 0.00 H ATOM 1152 N TYR A 576 49.262 61.774 5.936 1.00 40.50 N ATOM 1153 CA TYR A 576 50.553 62.356 5.690 1.00 39.43 C ATOM 1154 C TYR A 576 50.478 63.133 4.389 1.00 41.75 C ATOM 1155 O TYR A 576 50.761 64.328 4.354 1.00 43.72 O ATOM 1156 CB TYR A 576 51.627 61.260 5.683 1.00 37.47 C ATOM 1157 CG TYR A 576 52.932 61.671 5.109 1.00 35.33 C ATOM 1158 CD1 TYR A 576 53.854 62.331 5.879 1.00 34.62 C ATOM 1159 CD2 TYR A 576 53.250 61.380 3.778 1.00 34.26 C ATOM 1160 CE1 TYR A 576 55.056 62.712 5.345 1.00 34.62 C ATOM 1161 CE2 TYR A 576 54.457 61.746 3.238 1.00 33.77 C ATOM 1162 CZ TYR A 576 55.342 62.420 4.025 1.00 33.90 C ATOM 1163 OH TYR A 576 56.526 62.788 3.522 1.00 33.35 O ATOM 1164 HH TYR A 576 57.045 63.264 4.218 1.00 0.00 H ATOM 1165 H TYR A 576 49.164 60.739 5.927 1.00 0.00 H ATOM 1166 N LEU A 577 50.039 62.467 3.330 1.00 43.78 N ATOM 1167 CA LEU A 577 49.942 63.111 2.009 1.00 44.70 C ATOM 1168 C LEU A 577 49.152 64.424 2.072 1.00 44.47 C ATOM 1169 O LEU A 577 49.557 65.425 1.502 1.00 46.17 O ATOM 1170 CB LEU A 577 49.300 62.170 0.978 1.00 43.29 C ATOM 1171 CG LEU A 577 50.073 60.909 0.593 1.00 43.11 C ATOM 1172 CD1 LEU A 577 49.222 60.107 -0.352 1.00 44.49 C ATOM 1173 CD2 LEU A 577 51.397 61.168 -0.088 1.00 43.54 C ATOM 1174 H LEU A 577 49.758 61.471 3.434 1.00 0.00 H ATOM 1175 N HIS A 578 48.044 64.403 2.790 1.00 43.01 N ATOM 1176 CA HIS A 578 47.121 65.526 2.791 1.00 44.13 C ATOM 1177 C HIS A 578 47.562 66.708 3.641 1.00 45.57 C ATOM 1178 O HIS A 578 47.140 67.839 3.395 1.00 45.07 O ATOM 1179 CB HIS A 578 45.766 65.059 3.281 1.00 42.88 C ATOM 1180 CG HIS A 578 45.035 64.232 2.292 1.00 42.07 C ATOM 1181 ND1 HIS A 578 43.753 63.799 2.508 1.00 41.65 N ATOM 1182 CD2 HIS A 578 45.386 63.789 1.057 1.00 42.33 C ATOM 1183 CE1 HIS A 578 43.353 63.104 1.451 1.00 41.95 C ATOM 1184 NE2 HIS A 578 44.323 63.084 0.556 1.00 40.31 N ATOM 1185 H HIS A 578 47.827 63.565 3.367 1.00 0.00 H ATOM 1186 N ASN A 579 48.405 66.435 4.623 1.00 46.60 N ATOM 1187 CA ASN A 579 48.889 67.444 5.526 1.00 48.54 C ATOM 1188 C ASN A 579 50.310 67.913 5.298 1.00 49.97 C ATOM 1189 O ASN A 579 50.822 68.677 6.098 1.00 50.77 O ATOM 1190 CB ASN A 579 48.714 66.965 6.949 1.00 49.73 C ATOM 1191 CG ASN A 579 47.269 66.948 7.346 1.00 50.05 C ATOM 1192 OD1 ASN A 579 46.664 67.993 7.578 1.00 50.51 O ATOM 1193 ND2 ASN A 579 46.702 65.774 7.418 1.00 51.23 N ATOM 1194 HD22 ASN A 579 47.254 64.917 7.213 1.00 0.00 H ATOM 1195 HD21 ASN A 579 45.699 65.696 7.680 1.00 0.00 H ATOM 1196 H ASN A 579 48.730 65.455 4.747 1.00 0.00 H ATOM 1197 N LEU A 580 50.920 67.544 4.179 1.00 52.70 N ATOM 1198 CA LEU A 580 52.173 68.195 3.759 1.00 56.50 C ATOM 1199 C LEU A 580 51.949 69.698 3.521 1.00 62.07 C ATOM 1200 O LEU A 580 50.806 70.126 3.256 1.00 62.36 O ATOM 1201 CB LEU A 580 52.715 67.552 2.482 1.00 54.45 C ATOM 1202 CG LEU A 580 53.173 66.100 2.545 1.00 52.64 C ATOM 1203 CD1 LEU A 580 53.310 65.561 1.133 1.00 53.58 C ATOM 1204 CD2 LEU A 580 54.470 65.924 3.299 1.00 51.01 C ATOM 1205 H LEU A 580 50.510 66.789 3.593 1.00 0.00 H ATOM 1206 N THR A 581 53.022 70.498 3.612 1.00 68.78 N ATOM 1207 CA THR A 581 52.921 71.962 3.338 1.00 73.00 C ATOM 1208 C THR A 581 52.239 72.155 1.997 1.00 70.86 C ATOM 1209 O THR A 581 51.284 72.924 1.909 1.00 75.19 O ATOM 1210 CB THR A 581 54.283 72.715 3.343 1.00 75.53 C ATOM 1211 OG1 THR A 581 54.925 72.575 4.621 1.00 76.36 O ATOM 1212 CG2 THR A 581 54.094 74.201 3.085 1.00 75.48 C ATOM 1213 HG1 THR A 581 55.789 73.058 4.610 1.00 0.00 H ATOM 1214 H THR A 581 53.941 70.091 3.878 1.00 0.00 H ATOM 1215 N GLN A 582 52.726 71.453 0.978 1.00 68.34 N ATOM 1216 CA GLN A 582 52.015 71.354 -0.285 1.00 71.57 C ATOM 1217 C GLN A 582 51.352 69.971 -0.418 1.00 65.71 C ATOM 1218 O GLN A 582 52.041 68.998 -0.798 1.00 62.69 O ATOM 1219 CB GLN A 582 52.938 71.641 -1.474 1.00 79.37 C ATOM 1220 CG GLN A 582 52.160 71.780 -2.790 1.00 86.22 C ATOM 1221 CD GLN A 582 52.632 72.932 -3.672 1.00 94.99 C ATOM 1222 OE1 GLN A 582 53.840 73.248 -3.745 1.00 96.78 O ATOM 1223 NE2 GLN A 582 51.674 73.570 -4.362 1.00 99.19 N ATOM 1224 HE22 GLN A 582 50.682 73.273 -4.270 1.00 0.00 H ATOM 1225 HE21 GLN A 582 51.924 74.362 -4.988 1.00 0.00 H ATOM 1226 H GLN A 582 53.637 70.964 1.088 1.00 0.00 H ATOM 1227 N PRO A 583 50.020 69.883 -0.121 1.00 60.15 N ATOM 1228 CA PRO A 583 49.305 68.605 -0.114 1.00 55.92 C ATOM 1229 C PRO A 583 49.259 67.895 -1.444 1.00 52.02 C ATOM 1230 O PRO A 583 49.306 68.541 -2.500 1.00 51.63 O ATOM 1231 CB PRO A 583 47.872 68.997 0.303 1.00 56.94 C ATOM 1232 CG PRO A 583 48.024 70.248 1.069 1.00 57.57 C ATOM 1233 CD PRO A 583 49.110 70.968 0.312 1.00 60.02 C ATOM 1234 N ILE A 584 49.163 66.569 -1.351 1.00 49.19 N ATOM 1235 CA ILE A 584 49.170 65.673 -2.486 1.00 47.17 C ATOM 1236 C ILE A 584 47.897 64.853 -2.435 1.00 44.93 C ATOM 1237 O ILE A 584 47.523 64.340 -1.406 1.00 42.65 O ATOM 1238 CB ILE A 584 50.378 64.725 -2.436 1.00 47.86 C ATOM 1239 CG1 ILE A 584 51.651 65.468 -2.797 1.00 49.92 C ATOM 1240 CG2 ILE A 584 50.210 63.588 -3.436 1.00 48.41 C ATOM 1241 CD1 ILE A 584 52.910 64.731 -2.413 1.00 50.13 C ATOM 1242 H ILE A 584 49.078 66.152 -0.402 1.00 0.00 H ATOM 1243 N ILE A 585 47.247 64.749 -3.573 1.00 45.45 N ATOM 1244 CA ILE A 585 46.103 63.887 -3.762 1.00 46.01 C ATOM 1245 C ILE A 585 46.648 62.657 -4.435 1.00 44.49 C ATOM 1246 O ILE A 585 47.337 62.778 -5.430 1.00 45.39 O ATOM 1247 CB ILE A 585 45.056 64.541 -4.702 1.00 47.76 C ATOM 1248 CG1 ILE A 585 44.511 65.823 -4.086 1.00 48.00 C ATOM 1249 CG2 ILE A 585 43.892 63.590 -5.001 1.00 47.63 C ATOM 1250 CD1 ILE A 585 43.983 66.766 -5.123 1.00 49.37 C ATOM 1251 H ILE A 585 47.574 65.318 -4.380 1.00 0.00 H ATOM 1252 N HIS A 586 46.329 61.482 -3.906 1.00 43.61 N ATOM 1253 CA HIS A 586 46.797 60.227 -4.503 1.00 43.60 C ATOM 1254 C HIS A 586 46.090 60.024 -5.818 1.00 43.75 C ATOM 1255 O HIS A 586 46.747 59.722 -6.814 1.00 46.32 O ATOM 1256 CB HIS A 586 46.624 59.010 -3.561 1.00 41.92 C ATOM 1257 CG HIS A 586 47.264 57.755 -4.075 1.00 40.96 C ATOM 1258 ND1 HIS A 586 46.668 56.957 -5.020 1.00 41.59 N ATOM 1259 CD2 HIS A 586 48.451 57.176 -3.810 1.00 41.17 C ATOM 1260 CE1 HIS A 586 47.440 55.930 -5.308 1.00 40.77 C ATOM 1261 NE2 HIS A 586 48.531 56.039 -4.587 1.00 41.39 N ATOM 1262 H HIS A 586 45.736 61.451 -3.052 1.00 0.00 H ATOM 1263 N ARG A 587 44.763 60.196 -5.785 1.00 43.16 N ATOM 1264 CA ARG A 587 43.820 60.139 -6.937 1.00 42.91 C ATOM 1265 C ARG A 587 43.558 58.736 -7.512 1.00 41.20 C ATOM 1266 O ARG A 587 42.576 58.553 -8.204 1.00 41.40 O ATOM 1267 CB ARG A 587 44.136 61.165 -8.065 1.00 44.55 C ATOM 1268 CG ARG A 587 42.874 61.687 -8.809 1.00 46.47 C ATOM 1269 CD ARG A 587 43.019 61.956 -10.335 1.00 48.06 C ATOM 1270 H ARG A 587 44.344 60.391 -4.853 1.00 0.00 H ATOM 1271 N ASP A 588 44.416 57.759 -7.239 1.00 40.45 N ATOM 1272 CA ASP A 588 44.198 56.371 -7.658 1.00 40.78 C ATOM 1273 C ASP A 588 44.238 55.330 -6.550 1.00 39.14 C ATOM 1274 O ASP A 588 44.621 54.195 -6.803 1.00 39.71 O ATOM 1275 CB ASP A 588 45.197 55.985 -8.748 1.00 43.07 C ATOM 1276 CG ASP A 588 44.734 54.785 -9.564 1.00 45.76 C ATOM 1277 OD1 ASP A 588 43.507 54.666 -9.859 1.00 45.72 O ATOM 1278 OD2 ASP A 588 45.600 53.961 -9.905 1.00 48.07 O ATOM 1279 H ASP A 588 45.279 57.988 -6.706 1.00 0.00 H ATOM 1280 N LEU A 589 43.808 55.698 -5.350 1.00 38.03 N ATOM 1281 CA LEU A 589 43.780 54.783 -4.225 1.00 39.23 C ATOM 1282 C LEU A 589 42.752 53.610 -4.384 1.00 41.69 C ATOM 1283 O LEU A 589 41.520 53.805 -4.485 1.00 42.61 O ATOM 1284 CB LEU A 589 43.517 55.560 -2.950 1.00 38.88 C ATOM 1285 CG LEU A 589 43.522 54.769 -1.645 1.00 40.45 C ATOM 1286 CD1 LEU A 589 44.894 54.144 -1.341 1.00 40.64 C ATOM 1287 CD2 LEU A 589 43.096 55.711 -0.517 1.00 40.92 C ATOM 1288 H LEU A 589 43.480 56.675 -5.211 1.00 0.00 H ATOM 1289 N ASN A 590 43.288 52.392 -4.407 1.00 41.89 N ATOM 1290 CA ASN A 590 42.493 51.186 -4.520 1.00 41.57 C ATOM 1291 C ASN A 590 43.289 50.045 -3.908 1.00 42.80 C ATOM 1292 O ASN A 590 44.444 50.232 -3.525 1.00 43.17 O ATOM 1293 CB ASN A 590 42.164 50.916 -5.967 1.00 41.35 C ATOM 1294 CG ASN A 590 43.389 50.749 -6.818 1.00 42.86 C ATOM 1295 OD1 ASN A 590 44.182 49.844 -6.599 1.00 43.55 O ATOM 1296 ND2 ASN A 590 43.555 51.613 -7.802 1.00 44.13 N ATOM 1297 HD22 ASN A 590 42.857 52.368 -7.954 1.00 0.00 H ATOM 1298 HD21 ASN A 590 44.384 51.538 -8.425 1.00 0.00 H ATOM 1299 H ASN A 590 44.322 52.302 -4.341 1.00 0.00 H ATOM 1300 N SER A 591 42.702 48.859 -3.856 1.00 43.86 N ATOM 1301 CA SER A 591 43.355 47.723 -3.213 1.00 44.27 C ATOM 1302 C SER A 591 44.537 47.195 -4.000 1.00 43.67 C ATOM 1303 O SER A 591 45.287 46.384 -3.459 1.00 44.46 O ATOM 1304 CB SER A 591 42.349 46.594 -2.928 1.00 45.53 C ATOM 1305 OG SER A 591 41.563 46.326 -4.057 1.00 46.02 O ATOM 1306 HG SER A 591 40.925 45.598 -3.849 1.00 0.00 H ATOM 1307 H SER A 591 41.761 48.735 -4.280 1.00 0.00 H ATOM 1308 N HIS A 592 44.690 47.612 -5.261 1.00 43.70 N ATOM 1309 CA HIS A 592 45.912 47.301 -6.044 1.00 44.75 C ATOM 1310 C HIS A 592 47.131 48.060 -5.617 1.00 44.16 C ATOM 1311 O HIS A 592 48.239 47.563 -5.847 1.00 44.47 O ATOM 1312 CB HIS A 592 45.747 47.542 -7.543 1.00 44.81 C ATOM 1313 CG HIS A 592 44.673 46.724 -8.166 1.00 44.75 C ATOM 1314 ND1 HIS A 592 44.828 45.384 -8.418 1.00 45.54 N ATOM 1315 CD2 HIS A 592 43.433 47.052 -8.579 1.00 44.66 C ATOM 1316 CE1 HIS A 592 43.721 44.915 -8.948 1.00 47.23 C ATOM 1317 NE2 HIS A 592 42.856 45.909 -9.054 1.00 46.79 N ATOM 1318 H HIS A 592 43.933 48.169 -5.705 1.00 0.00 H ATOM 1319 N ASN A 593 46.902 49.244 -5.029 1.00 43.52 N ATOM 1320 CA ASN A 593 47.926 50.183 -4.579 1.00 42.24 C ATOM 1321 C ASN A 593 48.146 50.242 -3.079 1.00 41.10 C ATOM 1322 O ASN A 593 48.911 51.057 -2.608 1.00 42.37 O ATOM 1323 CB ASN A 593 47.529 51.549 -5.066 1.00 42.95 C ATOM 1324 CG ASN A 593 47.474 51.615 -6.578 1.00 46.51 C ATOM 1325 OD1 ASN A 593 48.095 50.792 -7.305 1.00 45.37 O ATOM 1326 ND2 ASN A 593 46.719 52.611 -7.086 1.00 48.51 N ATOM 1327 HD22 ASN A 593 46.225 53.266 -6.447 1.00 0.00 H ATOM 1328 HD21 ASN A 593 46.631 52.723 -8.116 1.00 0.00 H ATOM 1329 H ASN A 593 45.909 49.517 -4.881 1.00 0.00 H ATOM 1330 N ILE A 594 47.473 49.389 -2.333 1.00 40.48 N ATOM 1331 CA ILE A 594 47.801 49.111 -0.945 1.00 41.06 C ATOM 1332 C ILE A 594 48.587 47.785 -0.933 1.00 41.31 C ATOM 1333 O ILE A 594 48.031 46.714 -1.186 1.00 41.73 O ATOM 1334 CB ILE A 594 46.534 48.984 -0.074 1.00 42.67 C ATOM 1335 CG1 ILE A 594 45.751 50.309 -0.082 1.00 44.17 C ATOM 1336 CG2 ILE A 594 46.859 48.614 1.362 1.00 41.75 C ATOM 1337 CD1 ILE A 594 44.296 50.173 0.380 1.00 44.94 C ATOM 1338 H ILE A 594 46.666 48.890 -2.759 1.00 0.00 H ATOM 1339 N LEU A 595 49.872 47.893 -0.622 1.00 40.65 N ATOM 1340 CA LEU A 595 50.807 46.785 -0.531 1.00 40.58 C ATOM 1341 C LEU A 595 51.073 46.451 0.921 1.00 40.42 C ATOM 1342 O LEU A 595 50.838 47.279 1.807 1.00 39.60 O ATOM 1343 CB LEU A 595 52.120 47.182 -1.200 1.00 41.11 C ATOM 1344 CG LEU A 595 51.968 47.783 -2.606 1.00 40.88 C ATOM 1345 CD1 LEU A 595 53.316 48.167 -3.196 1.00 40.74 C ATOM 1346 CD2 LEU A 595 51.271 46.803 -3.509 1.00 41.54 C ATOM 1347 H LEU A 595 50.239 48.846 -0.428 1.00 0.00 H ATOM 1348 N LEU A 596 51.588 45.245 1.150 1.00 41.59 N ATOM 1349 CA LEU A 596 51.600 44.616 2.480 1.00 41.77 C ATOM 1350 C LEU A 596 52.918 43.981 2.830 1.00 42.08 C ATOM 1351 O LEU A 596 53.375 43.070 2.179 1.00 43.08 O ATOM 1352 CB LEU A 596 50.541 43.515 2.542 1.00 43.18 C ATOM 1353 CG LEU A 596 49.045 43.898 2.440 1.00 43.60 C ATOM 1354 CD1 LEU A 596 48.178 42.629 2.521 1.00 44.34 C ATOM 1355 CD2 LEU A 596 48.601 44.925 3.490 1.00 42.43 C ATOM 1356 H LEU A 596 52.001 44.723 0.351 1.00 0.00 H ATOM 1357 N TYR A 597 53.521 44.432 3.904 1.00 42.52 N ATOM 1358 CA TYR A 597 54.603 43.693 4.498 1.00 43.59 C ATOM 1359 C TYR A 597 54.105 42.320 5.025 1.00 46.57 C ATOM 1360 O TYR A 597 52.906 42.083 5.205 1.00 46.43 O ATOM 1361 CB TYR A 597 55.194 44.476 5.661 1.00 43.11 C ATOM 1362 CG TYR A 597 55.924 45.752 5.275 1.00 41.60 C ATOM 1363 CD1 TYR A 597 57.058 45.729 4.472 1.00 40.71 C ATOM 1364 CD2 TYR A 597 55.475 46.976 5.735 1.00 41.66 C ATOM 1365 CE1 TYR A 597 57.722 46.890 4.144 1.00 40.26 C ATOM 1366 CE2 TYR A 597 56.120 48.141 5.388 1.00 42.21 C ATOM 1367 CZ TYR A 597 57.248 48.082 4.600 1.00 40.27 C ATOM 1368 OH TYR A 597 57.831 49.243 4.288 1.00 37.61 O ATOM 1369 HH TYR A 597 58.625 49.071 3.723 1.00 0.00 H ATOM 1370 H TYR A 597 53.215 45.330 4.329 1.00 0.00 H ATOM 1371 N GLU A 598 55.053 41.409 5.250 1.00 49.53 N ATOM 1372 CA GLU A 598 54.729 40.098 5.782 1.00 50.26 C ATOM 1373 C GLU A 598 54.116 40.221 7.176 1.00 49.33 C ATOM 1374 O GLU A 598 53.236 39.483 7.511 1.00 48.86 O ATOM 1375 CB GLU A 598 55.963 39.180 5.755 1.00 52.17 C ATOM 1376 CG GLU A 598 56.306 38.684 4.351 1.00 52.95 C ATOM 1377 CD GLU A 598 57.506 37.747 4.323 1.00 55.37 C ATOM 1378 OE1 GLU A 598 58.562 38.010 4.973 1.00 55.32 O ATOM 1379 OE2 GLU A 598 57.389 36.722 3.630 1.00 57.74 O ATOM 1380 H GLU A 598 56.044 41.643 5.040 1.00 0.00 H ATOM 1381 N ASP A 599 54.562 41.189 7.962 1.00 49.16 N ATOM 1382 CA ASP A 599 54.037 41.359 9.318 1.00 49.98 C ATOM 1383 C ASP A 599 52.618 41.946 9.372 1.00 49.59 C ATOM 1384 O ASP A 599 52.053 42.030 10.425 1.00 52.33 O ATOM 1385 CB ASP A 599 55.026 42.154 10.193 1.00 50.79 C ATOM 1386 CG ASP A 599 54.988 43.653 9.956 1.00 53.03 C ATOM 1387 OD1 ASP A 599 54.748 44.134 8.818 1.00 54.62 O ATOM 1388 OD2 ASP A 599 55.213 44.380 10.942 1.00 55.69 O ATOM 1389 H ASP A 599 55.295 41.837 7.611 1.00 0.00 H ATOM 1390 N GLY A 600 52.060 42.391 8.254 1.00 47.46 N ATOM 1391 CA GLY A 600 50.673 42.764 8.206 1.00 45.85 C ATOM 1392 C GLY A 600 50.420 44.244 8.041 1.00 44.23 C ATOM 1393 O GLY A 600 49.279 44.636 7.701 1.00 43.72 O ATOM 1394 H GLY A 600 52.639 42.472 7.394 1.00 0.00 H ATOM 1395 N HIS A 601 51.437 45.074 8.322 1.00 42.81 N ATOM 1396 CA HIS A 601 51.358 46.528 8.065 1.00 39.98 C ATOM 1397 C HIS A 601 51.287 46.819 6.542 1.00 38.31 C ATOM 1398 O HIS A 601 51.643 45.985 5.672 1.00 37.07 O ATOM 1399 CB HIS A 601 52.527 47.289 8.734 1.00 40.27 C ATOM 1400 CG HIS A 601 52.446 47.339 10.232 1.00 41.56 C ATOM 1401 ND1 HIS A 601 51.685 48.263 10.911 1.00 42.50 N ATOM 1402 CD2 HIS A 601 53.002 46.557 11.183 1.00 43.36 C ATOM 1403 CE1 HIS A 601 51.767 48.046 12.213 1.00 42.83 C ATOM 1404 NE2 HIS A 601 52.555 47.011 12.406 1.00 43.58 N ATOM 1405 H HIS A 601 52.308 44.682 8.733 1.00 0.00 H ATOM 1406 N ALA A 602 50.790 48.006 6.229 1.00 37.01 N ATOM 1407 CA ALA A 602 50.509 48.396 4.847 1.00 35.52 C ATOM 1408 C ALA A 602 51.151 49.747 4.421 1.00 33.62 C ATOM 1409 O ALA A 602 51.499 50.612 5.263 1.00 32.66 O ATOM 1410 CB ALA A 602 49.007 48.436 4.657 1.00 35.68 C ATOM 1411 H ALA A 602 50.593 48.685 6.992 1.00 0.00 H ATOM 1412 N VAL A 603 51.328 49.908 3.117 1.00 32.11 N ATOM 1413 CA VAL A 603 51.791 51.183 2.591 1.00 32.25 C ATOM 1414 C VAL A 603 51.057 51.491 1.299 1.00 32.79 C ATOM 1415 O VAL A 603 50.655 50.573 0.577 1.00 33.16 O ATOM 1416 CB VAL A 603 53.302 51.229 2.296 1.00 32.62 C ATOM 1417 CG1 VAL A 603 54.111 50.654 3.444 1.00 33.88 C ATOM 1418 CG2 VAL A 603 53.634 50.431 1.053 1.00 33.13 C ATOM 1419 H VAL A 603 51.135 49.119 2.467 1.00 0.00 H ATOM 1420 N VAL A 604 50.937 52.788 1.004 1.00 32.40 N ATOM 1421 CA VAL A 604 50.257 53.275 -0.168 1.00 32.47 C ATOM 1422 C VAL A 604 51.302 53.416 -1.233 1.00 33.44 C ATOM 1423 O VAL A 604 52.365 54.008 -0.983 1.00 33.49 O ATOM 1424 CB VAL A 604 49.646 54.656 0.080 1.00 32.69 C ATOM 1425 CG1 VAL A 604 49.070 55.255 -1.195 1.00 33.04 C ATOM 1426 CG2 VAL A 604 48.557 54.559 1.116 1.00 33.12 C ATOM 1427 H VAL A 604 51.357 53.482 1.655 1.00 0.00 H ATOM 1428 N ALA A 605 50.991 52.905 -2.427 1.00 34.21 N ATOM 1429 CA ALA A 605 51.944 52.879 -3.522 1.00 34.95 C ATOM 1430 C ALA A 605 51.368 53.520 -4.761 1.00 36.01 C ATOM 1431 O ALA A 605 50.212 53.831 -4.822 1.00 37.38 O ATOM 1432 CB ALA A 605 52.339 51.441 -3.791 1.00 34.86 C ATOM 1433 H ALA A 605 50.039 52.514 -2.577 1.00 0.00 H ATOM 1434 N ASP A 606 52.199 53.710 -5.757 1.00 38.13 N ATOM 1435 CA ASP A 606 51.790 54.152 -7.094 1.00 40.35 C ATOM 1436 C ASP A 606 51.148 55.529 -7.138 1.00 41.82 C ATOM 1437 O ASP A 606 49.937 55.679 -7.042 1.00 41.28 O ATOM 1438 CB ASP A 606 50.928 53.126 -7.820 1.00 41.43 C ATOM 1439 CG ASP A 606 50.897 53.346 -9.332 1.00 43.60 C ATOM 1440 OD1 ASP A 606 51.433 54.366 -9.793 1.00 44.20 O ATOM 1441 OD2 ASP A 606 50.325 52.507 -10.069 1.00 46.22 O ATOM 1442 H ASP A 606 53.211 53.537 -5.589 1.00 0.00 H ATOM 1443 N PHE A 607 52.013 56.512 -7.362 1.00 44.39 N ATOM 1444 CA PHE A 607 51.657 57.894 -7.463 1.00 45.60 C ATOM 1445 C PHE A 607 51.579 58.302 -8.921 1.00 47.74 C ATOM 1446 O PHE A 607 51.866 59.471 -9.255 1.00 49.79 O ATOM 1447 CB PHE A 607 52.691 58.706 -6.670 1.00 45.70 C ATOM 1448 CG PHE A 607 52.557 58.491 -5.215 1.00 44.29 C ATOM 1449 CD1 PHE A 607 52.967 57.315 -4.659 1.00 44.32 C ATOM 1450 CD2 PHE A 607 51.919 59.421 -4.420 1.00 43.69 C ATOM 1451 CE1 PHE A 607 52.776 57.074 -3.310 1.00 43.46 C ATOM 1452 CE2 PHE A 607 51.742 59.202 -3.081 1.00 42.61 C ATOM 1453 CZ PHE A 607 52.165 58.018 -2.526 1.00 42.56 C ATOM 1454 H PHE A 607 53.016 56.260 -7.471 1.00 0.00 H ATOM 1455 N GLY A 608 51.131 57.371 -9.772 1.00 48.58 N ATOM 1456 CA GLY A 608 51.109 57.584 -11.235 1.00 51.97 C ATOM 1457 C GLY A 608 50.069 58.599 -11.689 1.00 52.21 C ATOM 1458 O GLY A 608 50.222 59.245 -12.732 1.00 54.88 O ATOM 1459 H GLY A 608 50.787 56.467 -9.391 1.00 0.00 H ATOM 1460 N GLU A 609 49.015 58.722 -10.892 1.00 51.29 N ATOM 1461 CA GLU A 609 47.944 59.648 -11.127 1.00 50.91 C ATOM 1462 C GLU A 609 47.920 60.816 -10.147 1.00 50.50 C ATOM 1463 O GLU A 609 47.054 61.700 -10.271 1.00 52.76 O ATOM 1464 CB GLU A 609 46.631 58.878 -11.019 1.00 50.66 C ATOM 1465 CG GLU A 609 46.420 57.803 -12.068 1.00 51.88 C ATOM 1466 CD GLU A 609 46.321 58.365 -13.475 1.00 55.30 C ATOM 1467 OE1 GLU A 609 45.967 59.553 -13.639 1.00 59.37 O ATOM 1468 OE2 GLU A 609 46.598 57.632 -14.433 1.00 56.51 O ATOM 1469 H GLU A 609 48.962 58.113 -10.050 1.00 0.00 H ATOM 1470 N SER A 610 48.861 60.840 -9.208 1.00 49.54 N ATOM 1471 CA SER A 610 48.874 61.835 -8.153 1.00 49.92 C ATOM 1472 C SER A 610 49.083 63.251 -8.682 1.00 52.00 C ATOM 1473 O SER A 610 49.678 63.446 -9.740 1.00 52.94 O ATOM 1474 CB SER A 610 49.960 61.491 -7.137 1.00 49.09 C ATOM 1475 OG SER A 610 49.624 60.300 -6.469 1.00 48.00 O ATOM 1476 HG SER A 610 48.760 60.419 -6.000 1.00 0.00 H ATOM 1477 H SER A 610 49.613 60.122 -9.231 1.00 0.00 H ATOM 1478 N ARG A 611 48.559 64.225 -7.946 1.00 52.94 N ATOM 1479 CA ARG A 611 48.665 65.647 -8.313 1.00 57.51 C ATOM 1480 C ARG A 611 48.895 66.439 -7.024 1.00 58.27 C ATOM 1481 O ARG A 611 48.405 66.029 -5.972 1.00 57.45 O ATOM 1482 CB ARG A 611 47.366 66.182 -8.992 1.00 60.72 C ATOM 1483 CG ARG A 611 46.756 65.401 -10.176 1.00 65.09 C ATOM 1484 CD ARG A 611 47.071 65.926 -11.601 1.00 70.93 C ATOM 1485 NE ARG A 611 47.961 65.010 -12.358 1.00 73.18 N ATOM 1486 CZ ARG A 611 47.597 63.933 -13.065 1.00 72.49 C ATOM 1487 NH1 ARG A 611 48.532 63.199 -13.669 1.00 70.47 N ATOM 1488 NH2 ARG A 611 46.314 63.569 -13.174 1.00 73.50 N ATOM 1489 HE ARG A 611 48.978 65.229 -12.337 1.00 0.00 H ATOM 1490 HH12 ARG A 611 48.259 62.361 -14.220 1.00 0.00 H ATOM 1491 HH11 ARG A 611 49.534 63.465 -13.589 1.00 0.00 H ATOM 1492 HH22 ARG A 611 46.057 62.728 -13.729 1.00 0.00 H ATOM 1493 HH21 ARG A 611 45.573 64.127 -12.703 1.00 0.00 H ATOM 1494 H ARG A 611 48.052 63.972 -7.074 1.00 0.00 H ATOM 1495 N PHE A 612 49.614 67.567 -7.113 1.00 59.90 N ATOM 1496 CA PHE A 612 49.671 68.541 -6.020 1.00 60.25 C ATOM 1497 C PHE A 612 48.346 69.283 -5.956 1.00 61.07 C ATOM 1498 O PHE A 612 47.780 69.578 -6.984 1.00 60.45 O ATOM 1499 CB PHE A 612 50.777 69.550 -6.267 1.00 62.72 C ATOM 1500 CG PHE A 612 52.166 68.988 -6.110 1.00 65.91 C ATOM 1501 CD1 PHE A 612 52.651 68.637 -4.846 1.00 66.24 C ATOM 1502 CD2 PHE A 612 53.004 68.817 -7.220 1.00 67.17 C ATOM 1503 CE1 PHE A 612 53.928 68.134 -4.689 1.00 64.80 C ATOM 1504 CE2 PHE A 612 54.284 68.311 -7.068 1.00 65.77 C ATOM 1505 CZ PHE A 612 54.745 67.978 -5.801 1.00 65.85 C ATOM 1506 H PHE A 612 50.148 67.757 -7.985 1.00 0.00 H ATOM 1507 N LEU A 613 47.861 69.595 -4.760 1.00 64.52 N ATOM 1508 CA LEU A 613 46.630 70.405 -4.589 1.00 69.11 C ATOM 1509 C LEU A 613 46.820 71.907 -4.868 1.00 76.97 C ATOM 1510 O LEU A 613 47.768 72.506 -4.330 1.00 85.11 O ATOM 1511 CB LEU A 613 46.152 70.272 -3.149 1.00 66.87 C ATOM 1512 CG LEU A 613 44.880 70.984 -2.713 1.00 63.62 C ATOM 1513 CD1 LEU A 613 43.699 70.320 -3.387 1.00 62.27 C ATOM 1514 CD2 LEU A 613 44.748 70.945 -1.192 1.00 62.90 C ATOM 1515 H LEU A 613 48.362 69.259 -3.913 1.00 0.00 H ATOM 1516 N GLN A 614 45.890 72.513 -5.636 1.00 82.98 N ATOM 1517 CA GLN A 614 45.893 73.987 -5.943 1.00 88.86 C ATOM 1518 C GLN A 614 45.615 74.891 -4.690 1.00 93.23 C ATOM 1519 O GLN A 614 45.004 74.436 -3.709 1.00 93.87 O ATOM 1520 CB GLN A 614 44.916 74.314 -7.101 1.00 83.69 C ATOM 1521 H GLN A 614 45.129 71.929 -6.038 1.00 0.00 H ATOM 1522 N SER A 615 46.081 76.148 -4.720 1.00 97.37 N ATOM 1523 CA SER A 615 45.982 77.076 -3.552 1.00100.58 C ATOM 1524 C SER A 615 46.316 78.529 -3.917 1.00 99.44 C ATOM 1525 O SER A 615 45.458 79.273 -4.372 1.00101.95 O ATOM 1526 CB SER A 615 46.904 76.606 -2.425 1.00 20.00 C ATOM 1527 H SER A 615 46.530 76.492 -5.593 1.00 0.00 H TER 1528 SER A 615 ATOM 1529 N GLY A 626 28.826 79.271 -16.003 1.00 81.21 N ATOM 1530 CA GLY A 626 27.477 79.859 -16.083 1.00 81.13 C ATOM 1531 C GLY A 626 26.876 80.247 -14.735 1.00 77.20 C ATOM 1532 O GLY A 626 27.618 80.523 -13.802 1.00 77.14 O ATOM 1533 HN3 GLY A 626 28.792 78.407 -15.426 1.00 0.00 H ATOM 1534 HN2 GLY A 626 29.476 79.956 -15.567 1.00 0.00 H ATOM 1535 HN1 GLY A 626 29.158 79.037 -16.960 1.00 0.00 H ATOM 1536 N ASN A 627 25.538 80.315 -14.662 1.00 73.53 N ATOM 1537 CA ASN A 627 24.805 80.421 -13.399 1.00 69.75 C ATOM 1538 C ASN A 627 24.314 79.063 -12.898 1.00 63.88 C ATOM 1539 O ASN A 627 23.654 78.304 -13.611 1.00 60.49 O ATOM 1540 CB ASN A 627 23.592 81.348 -13.479 1.00 73.42 C ATOM 1541 CG ASN A 627 22.997 81.622 -12.083 1.00 75.57 C ATOM 1542 OD1 ASN A 627 21.960 81.030 -11.668 1.00 70.81 O ATOM 1543 ND2 ASN A 627 23.706 82.476 -11.311 1.00 76.20 N ATOM 1544 HD22 ASN A 627 24.554 82.941 -11.694 1.00 0.00 H ATOM 1545 HD21 ASN A 627 23.404 82.667 -10.334 1.00 0.00 H ATOM 1546 H ASN A 627 24.994 80.291 -15.548 1.00 0.00 H ATOM 1547 N LEU A 628 24.573 78.829 -11.621 1.00 59.25 N ATOM 1548 CA LEU A 628 24.578 77.503 -11.050 1.00 55.50 C ATOM 1549 C LEU A 628 23.184 76.923 -10.753 1.00 52.91 C ATOM 1550 O LEU A 628 23.025 75.683 -10.603 1.00 53.46 O ATOM 1551 CB LEU A 628 25.421 77.547 -9.768 1.00 56.25 C ATOM 1552 CG LEU A 628 26.879 78.054 -9.811 1.00 56.49 C ATOM 1553 CD1 LEU A 628 27.381 78.405 -8.418 1.00 56.72 C ATOM 1554 CD2 LEU A 628 27.786 77.000 -10.411 1.00 55.54 C ATOM 1555 H LEU A 628 24.782 79.637 -11.001 1.00 0.00 H ATOM 1556 N ARG A 629 22.186 77.803 -10.664 1.00 50.01 N ATOM 1557 CA ARG A 629 20.825 77.428 -10.281 1.00 47.77 C ATOM 1558 C ARG A 629 20.126 76.554 -11.311 1.00 47.39 C ATOM 1559 O ARG A 629 19.222 75.790 -10.989 1.00 48.73 O ATOM 1560 CB ARG A 629 20.016 78.691 -10.042 1.00 48.55 C ATOM 1561 CG ARG A 629 18.592 78.473 -9.559 1.00 48.12 C ATOM 1562 CD ARG A 629 17.843 79.787 -9.543 1.00 49.89 C ATOM 1563 NE ARG A 629 18.500 80.687 -8.620 1.00 50.39 N ATOM 1564 CZ ARG A 629 18.290 80.720 -7.315 1.00 50.50 C ATOM 1565 NH1 ARG A 629 18.991 81.556 -6.585 1.00 52.90 N ATOM 1566 NH2 ARG A 629 17.400 79.948 -6.721 1.00 49.93 N ATOM 1567 HE ARG A 629 19.190 81.359 -9.013 1.00 0.00 H ATOM 1568 HH12 ARG A 629 18.843 81.599 -5.557 1.00 0.00 H ATOM 1569 HH11 ARG A 629 19.695 82.175 -7.035 1.00 0.00 H ATOM 1570 HH22 ARG A 629 17.266 80.006 -5.691 1.00 0.00 H ATOM 1571 HH21 ARG A 629 16.832 79.282 -7.283 1.00 0.00 H ATOM 1572 H ARG A 629 22.384 78.802 -10.877 1.00 0.00 H ATOM 1573 N TRP A 630 20.550 76.674 -12.552 1.00 47.71 N ATOM 1574 CA TRP A 630 20.012 75.910 -13.645 1.00 47.24 C ATOM 1575 C TRP A 630 20.995 74.832 -14.171 1.00 48.79 C ATOM 1576 O TRP A 630 20.699 74.131 -15.165 1.00 50.04 O ATOM 1577 CB TRP A 630 19.691 76.877 -14.756 1.00 46.50 C ATOM 1578 CG TRP A 630 18.527 77.715 -14.541 1.00 46.29 C ATOM 1579 CD1 TRP A 630 17.223 77.420 -14.878 1.00 46.74 C ATOM 1580 CD2 TRP A 630 18.512 79.036 -14.038 1.00 46.61 C ATOM 1581 NE1 TRP A 630 16.398 78.481 -14.598 1.00 46.40 N ATOM 1582 CE2 TRP A 630 17.159 79.487 -14.075 1.00 46.85 C ATOM 1583 CE3 TRP A 630 19.497 79.892 -13.544 1.00 46.26 C ATOM 1584 CZ2 TRP A 630 16.785 80.739 -13.638 1.00 46.95 C ATOM 1585 CZ3 TRP A 630 19.118 81.136 -13.096 1.00 46.87 C ATOM 1586 CH2 TRP A 630 17.779 81.555 -13.163 1.00 47.45 C ATOM 1587 HE1 TRP A 630 15.371 78.513 -14.757 1.00 0.00 H ATOM 1588 H TRP A 630 21.311 77.354 -12.751 1.00 0.00 H ATOM 1589 N MET A 631 22.154 74.693 -13.539 1.00 48.64 N ATOM 1590 CA MET A 631 23.117 73.703 -13.988 1.00 50.24 C ATOM 1591 C MET A 631 22.762 72.282 -13.571 1.00 49.71 C ATOM 1592 O MET A 631 22.517 72.017 -12.377 1.00 49.82 O ATOM 1593 CB MET A 631 24.478 73.957 -13.375 1.00 52.46 C ATOM 1594 CG MET A 631 25.414 74.845 -14.153 1.00 53.90 C ATOM 1595 SD MET A 631 26.999 74.545 -13.353 1.00 53.09 S ATOM 1596 CE MET A 631 27.765 76.063 -13.924 1.00 56.93 C ATOM 1597 H MET A 631 22.373 75.295 -12.720 1.00 0.00 H ATOM 1598 N ALA A 632 22.823 71.363 -14.535 1.00 49.03 N ATOM 1599 CA ALA A 632 22.822 69.921 -14.245 1.00 48.23 C ATOM 1600 C ALA A 632 23.855 69.515 -13.186 1.00 46.55 C ATOM 1601 O ALA A 632 24.920 70.101 -13.105 1.00 47.22 O ATOM 1602 CB ALA A 632 23.086 69.139 -15.517 1.00 49.41 C ATOM 1603 H ALA A 632 22.873 71.676 -15.525 1.00 0.00 H ATOM 1604 N PRO A 633 23.546 68.512 -12.379 1.00 45.38 N ATOM 1605 CA PRO A 633 24.488 68.071 -11.367 1.00 46.40 C ATOM 1606 C PRO A 633 25.898 67.751 -11.889 1.00 48.66 C ATOM 1607 O PRO A 633 26.885 68.224 -11.299 1.00 52.27 O ATOM 1608 CB PRO A 633 23.830 66.813 -10.825 1.00 45.92 C ATOM 1609 CG PRO A 633 22.383 67.104 -10.952 1.00 44.79 C ATOM 1610 CD PRO A 633 22.244 67.849 -12.236 1.00 44.97 C ATOM 1611 N GLU A 634 26.002 66.965 -12.968 1.00 47.71 N ATOM 1612 CA GLU A 634 27.322 66.591 -13.536 1.00 46.06 C ATOM 1613 C GLU A 634 28.122 67.820 -13.998 1.00 47.29 C ATOM 1614 O GLU A 634 29.297 67.926 -13.731 1.00 46.62 O ATOM 1615 CB GLU A 634 27.210 65.506 -14.627 1.00 45.34 C ATOM 1616 CG GLU A 634 26.427 65.854 -15.888 1.00 46.23 C ATOM 1617 CD GLU A 634 24.896 65.766 -15.745 1.00 45.66 C ATOM 1618 OE1 GLU A 634 24.340 65.760 -14.613 1.00 43.39 O ATOM 1619 OE2 GLU A 634 24.236 65.731 -16.795 1.00 45.73 O ATOM 1620 H GLU A 634 25.136 66.607 -13.420 1.00 0.00 H ATOM 1621 N VAL A 635 27.450 68.785 -14.605 1.00 49.31 N ATOM 1622 CA VAL A 635 28.078 70.045 -14.977 1.00 51.68 C ATOM 1623 C VAL A 635 28.497 70.859 -13.739 1.00 53.94 C ATOM 1624 O VAL A 635 29.570 71.463 -13.727 1.00 57.50 O ATOM 1625 CB VAL A 635 27.161 70.888 -15.890 1.00 52.03 C ATOM 1626 CG1 VAL A 635 27.776 72.245 -16.211 1.00 52.80 C ATOM 1627 CG2 VAL A 635 26.900 70.148 -17.188 1.00 52.78 C ATOM 1628 H VAL A 635 26.444 68.639 -14.823 1.00 0.00 H ATOM 1629 N PHE A 636 27.662 70.904 -12.708 1.00 54.58 N ATOM 1630 CA PHE A 636 28.048 71.591 -11.457 1.00 54.74 C ATOM 1631 C PHE A 636 29.291 70.972 -10.828 1.00 54.11 C ATOM 1632 O PHE A 636 30.062 71.670 -10.192 1.00 51.76 O ATOM 1633 CB PHE A 636 26.893 71.594 -10.440 1.00 53.46 C ATOM 1634 CG PHE A 636 27.308 71.953 -9.037 1.00 52.01 C ATOM 1635 CD1 PHE A 636 27.673 73.259 -8.719 1.00 52.59 C ATOM 1636 CD2 PHE A 636 27.352 70.979 -8.031 1.00 50.38 C ATOM 1637 CE1 PHE A 636 28.054 73.595 -7.419 1.00 52.52 C ATOM 1638 CE2 PHE A 636 27.719 71.314 -6.735 1.00 49.73 C ATOM 1639 CZ PHE A 636 28.062 72.625 -6.423 1.00 50.27 C ATOM 1640 H PHE A 636 26.728 70.452 -12.781 1.00 0.00 H ATOM 1641 N THR A 637 29.444 69.659 -10.997 1.00 55.99 N ATOM 1642 CA THR A 637 30.568 68.888 -10.439 1.00 56.76 C ATOM 1643 C THR A 637 31.859 69.005 -11.264 1.00 57.81 C ATOM 1644 O THR A 637 32.962 68.940 -10.705 1.00 55.09 O ATOM 1645 CB THR A 637 30.137 67.417 -10.316 1.00 54.91 C ATOM 1646 OG1 THR A 637 29.030 67.375 -9.434 1.00 52.53 O ATOM 1647 CG2 THR A 637 31.255 66.508 -9.777 1.00 55.57 C ATOM 1648 HG1 THR A 637 28.294 67.924 -9.804 1.00 0.00 H ATOM 1649 H THR A 637 28.729 69.150 -11.555 1.00 0.00 H ATOM 1650 N GLN A 638 31.689 69.118 -12.591 1.00 60.06 N ATOM 1651 CA GLN A 638 32.771 69.408 -13.514 1.00 61.26 C ATOM 1652 C GLN A 638 33.389 70.744 -13.200 1.00 60.79 C ATOM 1653 O GLN A 638 34.591 70.890 -13.327 1.00 63.93 O ATOM 1654 CB GLN A 638 32.290 69.436 -14.955 1.00 66.73 C ATOM 1655 CG GLN A 638 32.303 68.103 -15.674 1.00 74.08 C ATOM 1656 CD GLN A 638 31.078 67.919 -16.595 1.00 85.44 C ATOM 1657 OE1 GLN A 638 30.632 68.862 -17.272 1.00 89.11 O ATOM 1658 NE2 GLN A 638 30.530 66.691 -16.623 1.00 90.12 N ATOM 1659 HE22 GLN A 638 30.933 65.928 -16.042 1.00 0.00 H ATOM 1660 HE21 GLN A 638 29.704 66.504 -17.226 1.00 0.00 H ATOM 1661 H GLN A 638 30.732 68.991 -12.978 1.00 0.00 H ATOM 1662 N CYS A 639 32.565 71.708 -12.804 1.00 59.83 N ATOM 1663 CA CYS A 639 33.017 73.065 -12.536 1.00 60.98 C ATOM 1664 C CYS A 639 33.678 73.240 -11.163 1.00 63.14 C ATOM 1665 O CYS A 639 34.507 74.132 -10.996 1.00 65.48 O ATOM 1666 CB CYS A 639 31.853 74.067 -12.695 1.00 60.81 C ATOM 1667 SG CYS A 639 31.363 74.433 -14.405 1.00 59.43 S ATOM 1668 H CYS A 639 31.557 71.484 -12.681 1.00 0.00 H ATOM 1669 N THR A 640 33.349 72.397 -10.188 1.00 66.03 N ATOM 1670 CA THR A 640 33.828 72.612 -8.778 1.00 71.48 C ATOM 1671 C THR A 640 35.367 72.517 -8.616 1.00 71.06 C ATOM 1672 O THR A 640 35.945 73.441 -8.034 1.00 70.25 O ATOM 1673 CB THR A 640 33.095 71.750 -7.676 1.00 74.65 C ATOM 1674 OG1 THR A 640 31.671 71.758 -7.869 1.00 77.37 O ATOM 1675 CG2 THR A 640 33.339 72.346 -6.255 1.00 75.77 C ATOM 1676 HG1 THR A 640 31.458 71.380 -8.759 1.00 0.00 H ATOM 1677 H THR A 640 32.750 71.575 -10.404 1.00 0.00 H ATOM 1678 N ARG A 641 35.990 71.452 -9.167 1.00 69.13 N ATOM 1679 CA ARG A 641 37.449 71.106 -9.036 1.00 68.38 C ATOM 1680 C ARG A 641 37.606 70.272 -7.778 1.00 67.60 C ATOM 1681 O ARG A 641 37.090 70.636 -6.724 1.00 65.63 O ATOM 1682 CB ARG A 641 38.320 72.362 -8.977 1.00 20.00 C ATOM 1683 H ARG A 641 35.404 70.809 -9.737 1.00 0.00 H ATOM 1684 N TYR A 642 38.292 69.137 -7.889 1.00 68.82 N ATOM 1685 CA TYR A 642 38.358 68.178 -6.776 1.00 66.14 C ATOM 1686 C TYR A 642 39.453 68.527 -5.792 1.00 61.74 C ATOM 1687 O TYR A 642 40.409 69.239 -6.107 1.00 61.38 O ATOM 1688 CB TYR A 642 38.484 66.711 -7.253 1.00 67.11 C ATOM 1689 CG TYR A 642 39.695 66.356 -8.143 1.00 71.92 C ATOM 1690 CD1 TYR A 642 41.008 66.519 -7.698 1.00 73.85 C ATOM 1691 CD2 TYR A 642 39.511 65.823 -9.430 1.00 72.11 C ATOM 1692 CE1 TYR A 642 42.082 66.191 -8.513 1.00 78.38 C ATOM 1693 CE2 TYR A 642 40.579 65.473 -10.235 1.00 71.79 C ATOM 1694 CZ TYR A 642 41.862 65.659 -9.778 1.00 77.24 C ATOM 1695 OH TYR A 642 42.947 65.308 -10.559 1.00 84.71 O ATOM 1696 HH TYR A 642 43.784 65.512 -10.071 1.00 0.00 H ATOM 1697 H TYR A 642 38.790 68.925 -8.777 1.00 0.00 H ATOM 1698 N THR A 643 39.305 67.956 -4.612 1.00 57.16 N ATOM 1699 CA THR A 643 40.119 68.255 -3.468 1.00 53.96 C ATOM 1700 C THR A 643 40.731 66.963 -2.950 1.00 48.23 C ATOM 1701 O THR A 643 40.551 65.907 -3.506 1.00 44.26 O ATOM 1702 CB THR A 643 39.206 68.861 -2.392 1.00 55.92 C ATOM 1703 OG1 THR A 643 38.170 67.924 -2.088 1.00 56.24 O ATOM 1704 CG2 THR A 643 38.543 70.123 -2.896 1.00 56.66 C ATOM 1705 HG1 THR A 643 37.575 68.305 -1.395 1.00 0.00 H ATOM 1706 H THR A 643 38.553 67.246 -4.504 1.00 0.00 H ATOM 1707 N ILE A 644 41.440 67.062 -1.853 1.00 46.28 N ATOM 1708 CA ILE A 644 41.857 65.871 -1.130 1.00 46.62 C ATOM 1709 C ILE A 644 40.719 64.903 -0.742 1.00 46.27 C ATOM 1710 O ILE A 644 40.964 63.728 -0.431 1.00 46.11 O ATOM 1711 CB ILE A 644 42.610 66.243 0.161 1.00 46.72 C ATOM 1712 CG1 ILE A 644 41.717 67.047 1.125 1.00 47.43 C ATOM 1713 CG2 ILE A 644 43.914 66.939 -0.199 1.00 47.39 C ATOM 1714 CD1 ILE A 644 42.385 67.500 2.410 1.00 49.32 C ATOM 1715 H ILE A 644 41.707 68.001 -1.496 1.00 0.00 H ATOM 1716 N LYS A 645 39.488 65.398 -0.713 1.00 44.83 N ATOM 1717 CA LYS A 645 38.373 64.580 -0.281 1.00 43.96 C ATOM 1718 C LYS A 645 38.050 63.454 -1.259 1.00 41.80 C ATOM 1719 O LYS A 645 37.494 62.440 -0.873 1.00 43.74 O ATOM 1720 CB LYS A 645 37.145 65.456 -0.066 1.00 46.07 C ATOM 1721 CG LYS A 645 37.287 66.498 1.032 1.00 47.92 C ATOM 1722 CD LYS A 645 37.380 65.867 2.406 1.00 48.99 C ATOM 1723 CE LYS A 645 37.216 66.933 3.447 1.00 51.30 C ATOM 1724 NZ LYS A 645 37.279 66.339 4.793 1.00 52.90 N ATOM 1725 HZ1 LYS A 645 36.517 65.639 4.898 1.00 0.00 H ATOM 1726 HZ2 LYS A 645 38.200 65.873 4.922 1.00 0.00 H ATOM 1727 HZ3 LYS A 645 37.164 67.087 5.506 1.00 0.00 H ATOM 1728 H LYS A 645 39.322 66.383 -1.003 1.00 0.00 H ATOM 1729 N ALA A 646 38.395 63.620 -2.524 1.00 40.11 N ATOM 1730 CA ALA A 646 38.273 62.552 -3.490 1.00 38.47 C ATOM 1731 C ALA A 646 38.974 61.293 -2.937 1.00 38.42 C ATOM 1732 O ALA A 646 38.430 60.209 -3.019 1.00 37.67 O ATOM 1733 CB ALA A 646 38.881 62.983 -4.812 1.00 37.83 C ATOM 1734 H ALA A 646 38.764 64.542 -2.832 1.00 0.00 H ATOM 1735 N ASP A 647 40.137 61.455 -2.304 1.00 37.39 N ATOM 1736 CA ASP A 647 40.813 60.326 -1.697 1.00 37.43 C ATOM 1737 C ASP A 647 39.989 59.614 -0.599 1.00 37.29 C ATOM 1738 O ASP A 647 39.988 58.389 -0.487 1.00 37.32 O ATOM 1739 CB ASP A 647 42.166 60.756 -1.105 1.00 38.47 C ATOM 1740 CG ASP A 647 43.235 61.113 -2.155 1.00 37.72 C ATOM 1741 OD1 ASP A 647 43.095 60.844 -3.343 1.00 37.38 O ATOM 1742 OD2 ASP A 647 44.270 61.665 -1.739 1.00 38.05 O ATOM 1743 H ASP A 647 40.563 62.402 -2.245 1.00 0.00 H ATOM 1744 N VAL A 648 39.313 60.380 0.234 1.00 38.73 N ATOM 1745 CA VAL A 648 38.537 59.802 1.349 1.00 38.83 C ATOM 1746 C VAL A 648 37.426 58.898 0.820 1.00 37.63 C ATOM 1747 O VAL A 648 37.204 57.821 1.351 1.00 36.96 O ATOM 1748 CB VAL A 648 37.956 60.898 2.250 1.00 40.49 C ATOM 1749 CG1 VAL A 648 37.159 60.298 3.403 1.00 40.99 C ATOM 1750 CG2 VAL A 648 39.071 61.779 2.805 1.00 40.38 C ATOM 1751 H VAL A 648 39.327 61.412 0.103 1.00 0.00 H ATOM 1752 N PHE A 649 36.772 59.310 -0.260 1.00 37.22 N ATOM 1753 CA PHE A 649 35.772 58.440 -0.932 1.00 36.93 C ATOM 1754 C PHE A 649 36.376 57.108 -1.387 1.00 36.08 C ATOM 1755 O PHE A 649 35.859 56.058 -1.080 1.00 36.44 O ATOM 1756 CB PHE A 649 35.127 59.157 -2.129 1.00 35.82 C ATOM 1757 CG PHE A 649 33.940 58.432 -2.700 1.00 35.46 C ATOM 1758 CD1 PHE A 649 34.100 57.359 -3.583 1.00 35.25 C ATOM 1759 CD2 PHE A 649 32.643 58.834 -2.385 1.00 34.55 C ATOM 1760 CE1 PHE A 649 32.981 56.720 -4.131 1.00 34.93 C ATOM 1761 CE2 PHE A 649 31.535 58.206 -2.948 1.00 33.49 C ATOM 1762 CZ PHE A 649 31.696 57.153 -3.799 1.00 33.78 C ATOM 1763 H PHE A 649 36.963 60.258 -0.642 1.00 0.00 H ATOM 1764 N SER A 650 37.461 57.174 -2.134 1.00 35.82 N ATOM 1765 CA SER A 650 38.215 55.998 -2.503 1.00 36.34 C ATOM 1766 C SER A 650 38.556 55.156 -1.265 1.00 37.39 C ATOM 1767 O SER A 650 38.241 53.963 -1.210 1.00 38.25 O ATOM 1768 CB SER A 650 39.522 56.396 -3.178 1.00 35.77 C ATOM 1769 OG SER A 650 39.293 57.006 -4.398 1.00 35.81 O ATOM 1770 HG SER A 650 40.159 57.252 -4.810 1.00 0.00 H ATOM 1771 H SER A 650 37.785 58.104 -2.469 1.00 0.00 H ATOM 1772 N TYR A 651 39.188 55.776 -0.271 1.00 37.23 N ATOM 1773 CA TYR A 651 39.483 55.072 0.985 1.00 37.96 C ATOM 1774 C TYR A 651 38.266 54.287 1.499 1.00 39.05 C ATOM 1775 O TYR A 651 38.350 53.130 1.888 1.00 37.42 O ATOM 1776 CB TYR A 651 39.930 56.044 2.088 1.00 36.59 C ATOM 1777 CG TYR A 651 40.260 55.321 3.364 1.00 35.37 C ATOM 1778 CD1 TYR A 651 41.466 54.663 3.502 1.00 34.06 C ATOM 1779 CD2 TYR A 651 39.362 55.268 4.424 1.00 36.32 C ATOM 1780 CE1 TYR A 651 41.794 53.999 4.650 1.00 34.17 C ATOM 1781 CE2 TYR A 651 39.688 54.584 5.606 1.00 36.15 C ATOM 1782 CZ TYR A 651 40.909 53.955 5.683 1.00 35.52 C ATOM 1783 OH TYR A 651 41.260 53.260 6.786 1.00 37.00 O ATOM 1784 HH TYR A 651 42.166 52.880 6.661 1.00 0.00 H ATOM 1785 H TYR A 651 39.476 56.769 -0.384 1.00 0.00 H ATOM 1786 N ALA A 652 37.126 54.958 1.502 1.00 41.82 N ATOM 1787 CA ALA A 652 35.913 54.379 2.074 1.00 43.80 C ATOM 1788 C ALA A 652 35.509 53.060 1.393 1.00 43.15 C ATOM 1789 O ALA A 652 35.236 52.054 2.061 1.00 41.83 O ATOM 1790 CB ALA A 652 34.779 55.401 2.039 1.00 44.29 C ATOM 1791 H ALA A 652 37.093 55.913 1.091 1.00 0.00 H ATOM 1792 N LEU A 653 35.498 53.073 0.068 1.00 43.58 N ATOM 1793 CA LEU A 653 35.308 51.835 -0.691 1.00 45.00 C ATOM 1794 C LEU A 653 36.386 50.801 -0.320 1.00 44.77 C ATOM 1795 O LEU A 653 36.055 49.639 -0.089 1.00 46.03 O ATOM 1796 CB LEU A 653 35.362 52.110 -2.186 1.00 44.59 C ATOM 1797 CG LEU A 653 34.236 52.935 -2.717 1.00 44.49 C ATOM 1798 CD1 LEU A 653 34.563 53.330 -4.131 1.00 45.06 C ATOM 1799 CD2 LEU A 653 32.979 52.103 -2.701 1.00 46.89 C ATOM 1800 H LEU A 653 35.626 53.972 -0.439 1.00 0.00 H ATOM 1801 N CYS A 654 37.650 51.233 -0.245 1.00 42.33 N ATOM 1802 CA CYS A 654 38.719 50.363 0.217 1.00 42.99 C ATOM 1803 C CYS A 654 38.435 49.718 1.580 1.00 42.58 C ATOM 1804 O CYS A 654 38.588 48.523 1.738 1.00 43.64 O ATOM 1805 CB CYS A 654 40.079 51.085 0.235 1.00 43.12 C ATOM 1806 SG CYS A 654 40.806 51.311 -1.400 1.00 43.73 S ATOM 1807 H CYS A 654 37.872 52.210 -0.523 1.00 0.00 H ATOM 1808 N LEU A 655 37.999 50.519 2.536 1.00 42.14 N ATOM 1809 CA LEU A 655 37.647 50.040 3.882 1.00 42.59 C ATOM 1810 C LEU A 655 36.514 49.010 3.878 1.00 42.48 C ATOM 1811 O LEU A 655 36.522 48.093 4.670 1.00 41.63 O ATOM 1812 CB LEU A 655 37.238 51.248 4.764 1.00 42.79 C ATOM 1813 CG LEU A 655 36.797 50.981 6.189 1.00 43.39 C ATOM 1814 CD1 LEU A 655 37.900 50.246 6.905 1.00 43.80 C ATOM 1815 CD2 LEU A 655 36.473 52.270 6.914 1.00 43.34 C ATOM 1816 H LEU A 655 37.900 51.533 2.328 1.00 0.00 H ATOM 1817 N TRP A 656 35.521 49.226 3.017 1.00 42.97 N ATOM 1818 CA TRP A 656 34.412 48.293 2.828 1.00 44.46 C ATOM 1819 C TRP A 656 34.923 47.024 2.178 1.00 45.02 C ATOM 1820 O TRP A 656 34.545 45.925 2.529 1.00 46.18 O ATOM 1821 CB TRP A 656 33.316 48.921 1.952 1.00 43.33 C ATOM 1822 CG TRP A 656 32.142 48.058 1.815 1.00 44.20 C ATOM 1823 CD1 TRP A 656 31.066 47.992 2.650 1.00 45.63 C ATOM 1824 CD2 TRP A 656 31.917 47.099 0.801 1.00 44.62 C ATOM 1825 NE1 TRP A 656 30.165 47.056 2.200 1.00 46.23 N ATOM 1826 CE2 TRP A 656 30.659 46.497 1.061 1.00 46.13 C ATOM 1827 CE3 TRP A 656 32.645 46.696 -0.311 1.00 44.56 C ATOM 1828 CZ2 TRP A 656 30.124 45.514 0.259 1.00 47.70 C ATOM 1829 CZ3 TRP A 656 32.117 45.734 -1.125 1.00 46.92 C ATOM 1830 CH2 TRP A 656 30.866 45.136 -0.835 1.00 48.84 C ATOM 1831 HE1 TRP A 656 29.260 46.816 2.653 1.00 0.00 H ATOM 1832 H TRP A 656 35.535 50.100 2.453 1.00 0.00 H ATOM 1833 N GLU A 657 35.781 47.202 1.201 1.00 45.12 N ATOM 1834 CA GLU A 657 36.395 46.094 0.526 1.00 47.05 C ATOM 1835 C GLU A 657 37.150 45.191 1.511 1.00 49.37 C ATOM 1836 O GLU A 657 37.098 43.974 1.382 1.00 50.33 O ATOM 1837 CB GLU A 657 37.320 46.647 -0.560 1.00 45.91 C ATOM 1838 CG GLU A 657 38.161 45.613 -1.259 1.00 47.43 C ATOM 1839 CD GLU A 657 38.861 46.165 -2.464 1.00 47.13 C ATOM 1840 OE1 GLU A 657 38.930 47.404 -2.584 1.00 45.82 O ATOM 1841 OE2 GLU A 657 39.319 45.339 -3.289 1.00 47.66 O ATOM 1842 H GLU A 657 36.022 48.170 0.908 1.00 0.00 H ATOM 1843 N ILE A 658 37.859 45.802 2.470 1.00 50.03 N ATOM 1844 CA ILE A 658 38.623 45.092 3.517 1.00 50.18 C ATOM 1845 C ILE A 658 37.704 44.306 4.436 1.00 51.81 C ATOM 1846 O ILE A 658 37.962 43.130 4.747 1.00 56.03 O ATOM 1847 CB ILE A 658 39.465 46.074 4.364 1.00 50.56 C ATOM 1848 CG1 ILE A 658 40.708 46.499 3.577 1.00 53.02 C ATOM 1849 CG2 ILE A 658 39.959 45.483 5.674 1.00 50.77 C ATOM 1850 CD1 ILE A 658 41.275 47.854 3.989 1.00 53.52 C ATOM 1851 H ILE A 658 37.872 46.842 2.478 1.00 0.00 H ATOM 1852 N LEU A 659 36.627 44.936 4.876 1.00 50.47 N ATOM 1853 CA LEU A 659 35.752 44.298 5.853 1.00 50.34 C ATOM 1854 C LEU A 659 34.969 43.167 5.215 1.00 49.04 C ATOM 1855 O LEU A 659 34.963 42.088 5.747 1.00 51.55 O ATOM 1856 CB LEU A 659 34.847 45.319 6.552 1.00 50.71 C ATOM 1857 CG LEU A 659 35.653 46.232 7.483 1.00 50.41 C ATOM 1858 CD1 LEU A 659 35.039 47.596 7.511 1.00 51.58 C ATOM 1859 CD2 LEU A 659 35.720 45.692 8.893 1.00 51.39 C ATOM 1860 H LEU A 659 36.404 45.889 4.524 1.00 0.00 H ATOM 1861 N THR A 660 34.365 43.385 4.059 1.00 46.91 N ATOM 1862 CA THR A 660 33.548 42.352 3.414 1.00 47.02 C ATOM 1863 C THR A 660 34.419 41.326 2.703 1.00 47.08 C ATOM 1864 O THR A 660 34.140 40.154 2.688 1.00 48.43 O ATOM 1865 CB THR A 660 32.528 42.961 2.439 1.00 46.73 C ATOM 1866 OG1 THR A 660 33.194 43.681 1.395 1.00 46.57 O ATOM 1867 CG2 THR A 660 31.582 43.914 3.179 1.00 46.31 C ATOM 1868 HG1 THR A 660 33.734 44.410 1.791 1.00 0.00 H ATOM 1869 H THR A 660 34.472 44.310 3.597 1.00 0.00 H ATOM 1870 N GLY A 661 35.527 41.774 2.160 1.00 47.31 N ATOM 1871 CA GLY A 661 36.427 40.909 1.428 1.00 47.97 C ATOM 1872 C GLY A 661 36.008 40.886 -0.015 1.00 48.39 C ATOM 1873 O GLY A 661 36.528 40.100 -0.770 1.00 50.50 O ATOM 1874 H GLY A 661 35.765 42.781 2.259 1.00 0.00 H ATOM 1875 N GLU A 662 35.099 41.773 -0.407 1.00 49.14 N ATOM 1876 CA GLU A 662 34.522 41.814 -1.752 1.00 49.43 C ATOM 1877 C GLU A 662 34.935 43.096 -2.500 1.00 48.10 C ATOM 1878 O GLU A 662 35.104 44.181 -1.901 1.00 46.42 O ATOM 1879 CB GLU A 662 32.985 41.693 -1.658 1.00 50.13 C ATOM 1880 H GLU A 662 34.778 42.481 0.284 1.00 0.00 H ATOM 1881 N ILE A 663 35.137 42.936 -3.807 1.00 48.84 N ATOM 1882 CA ILE A 663 35.404 44.037 -4.740 1.00 48.11 C ATOM 1883 C ILE A 663 34.106 44.793 -4.745 1.00 47.62 C ATOM 1884 O ILE A 663 33.044 44.181 -4.813 1.00 49.58 O ATOM 1885 CB ILE A 663 35.728 43.475 -6.162 1.00 49.79 C ATOM 1886 CG1 ILE A 663 37.170 42.986 -6.200 1.00 51.08 C ATOM 1887 CG2 ILE A 663 35.509 44.449 -7.313 1.00 48.13 C ATOM 1888 CD1 ILE A 663 37.419 41.933 -7.265 1.00 52.52 C ATOM 1889 H ILE A 663 35.103 41.970 -4.190 1.00 0.00 H ATOM 1890 N PRO A 664 34.162 46.116 -4.659 1.00 47.12 N ATOM 1891 CA PRO A 664 32.948 46.921 -4.783 1.00 48.19 C ATOM 1892 C PRO A 664 32.119 46.660 -6.064 1.00 49.51 C ATOM 1893 O PRO A 664 32.627 46.775 -7.171 1.00 47.45 O ATOM 1894 CB PRO A 664 33.468 48.370 -4.737 1.00 47.59 C ATOM 1895 CG PRO A 664 34.767 48.280 -4.030 1.00 47.54 C ATOM 1896 CD PRO A 664 35.340 46.933 -4.358 1.00 47.89 C ATOM 1897 N PHE A 665 30.844 46.314 -5.903 1.00 52.70 N ATOM 1898 CA PHE A 665 29.983 46.042 -7.060 1.00 54.38 C ATOM 1899 C PHE A 665 30.597 44.982 -7.969 1.00 53.83 C ATOM 1900 O PHE A 665 30.605 45.138 -9.181 1.00 52.29 O ATOM 1901 CB PHE A 665 29.739 47.324 -7.886 1.00 54.11 C ATOM 1902 CG PHE A 665 29.123 48.460 -7.119 1.00 52.44 C ATOM 1903 CD1 PHE A 665 27.763 48.637 -7.133 1.00 52.82 C ATOM 1904 CD2 PHE A 665 29.914 49.371 -6.437 1.00 52.19 C ATOM 1905 CE1 PHE A 665 27.188 49.683 -6.464 1.00 53.56 C ATOM 1906 CE2 PHE A 665 29.346 50.429 -5.765 1.00 51.78 C ATOM 1907 CZ PHE A 665 27.980 50.592 -5.784 1.00 52.55 C ATOM 1908 H PHE A 665 30.452 46.235 -4.943 1.00 0.00 H ATOM 1909 N ALA A 666 31.096 43.903 -7.375 1.00 55.26 N ATOM 1910 CA ALA A 666 31.817 42.849 -8.120 1.00 58.01 C ATOM 1911 C ALA A 666 31.122 42.407 -9.418 1.00 60.05 C ATOM 1912 O ALA A 666 31.763 42.138 -10.428 1.00 61.29 O ATOM 1913 CB ALA A 666 32.072 41.642 -7.217 1.00 58.70 C ATOM 1914 H ALA A 666 30.975 43.796 -6.348 1.00 0.00 H ATOM 1915 N HIS A 667 29.806 42.333 -9.363 1.00 62.28 N ATOM 1916 CA HIS A 667 28.973 41.961 -10.501 1.00 65.95 C ATOM 1917 C HIS A 667 28.913 43.000 -11.654 1.00 65.10 C ATOM 1918 O HIS A 667 28.369 42.713 -12.720 1.00 65.43 O ATOM 1919 CB HIS A 667 27.553 41.633 -9.988 1.00 70.54 C ATOM 1920 CG HIS A 667 26.793 42.827 -9.507 1.00 74.75 C ATOM 1921 ND1 HIS A 667 27.043 43.434 -8.292 1.00 77.07 N ATOM 1922 CD2 HIS A 667 25.822 43.560 -10.100 1.00 77.71 C ATOM 1923 CE1 HIS A 667 26.256 44.483 -8.158 1.00 78.91 C ATOM 1924 NE2 HIS A 667 25.500 44.581 -9.239 1.00 79.97 N ATOM 1925 H HIS A 667 29.338 42.551 -8.460 1.00 0.00 H ATOM 1926 N LEU A 668 29.422 44.211 -11.437 1.00 64.09 N ATOM 1927 CA LEU A 668 29.422 45.242 -12.463 1.00 64.13 C ATOM 1928 C LEU A 668 30.810 45.527 -12.917 1.00 65.58 C ATOM 1929 O LEU A 668 31.762 45.289 -12.186 1.00 65.91 O ATOM 1930 CB LEU A 668 28.887 46.535 -11.905 1.00 63.42 C ATOM 1931 CG LEU A 668 27.490 46.468 -11.325 1.00 64.05 C ATOM 1932 CD1 LEU A 668 27.117 47.880 -10.890 1.00 63.39 C ATOM 1933 CD2 LEU A 668 26.485 45.900 -12.314 1.00 65.43 C ATOM 1934 H LEU A 668 29.832 44.426 -10.506 1.00 0.00 H ATOM 1935 N LYS A 669 30.907 46.065 -14.129 1.00 68.28 N ATOM 1936 CA LYS A 669 32.178 46.519 -14.689 1.00 68.87 C ATOM 1937 C LYS A 669 32.498 47.899 -14.149 1.00 63.16 C ATOM 1938 O LYS A 669 31.581 48.620 -13.734 1.00 60.43 O ATOM 1939 CB LYS A 669 32.127 46.530 -16.217 1.00 77.18 C ATOM 1940 CG LYS A 669 32.170 45.119 -16.808 1.00 86.59 C ATOM 1941 CD LYS A 669 32.199 45.132 -18.325 1.00 92.66 C ATOM 1942 CE LYS A 669 32.397 43.727 -18.864 1.00 97.59 C ATOM 1943 NZ LYS A 669 32.014 43.686 -20.301 1.00102.84 N ATOM 1944 HZ1 LYS A 669 31.015 43.958 -20.400 1.00 0.00 H ATOM 1945 HZ2 LYS A 669 32.610 44.350 -20.836 1.00 0.00 H ATOM 1946 HZ3 LYS A 669 32.151 42.722 -20.668 1.00 0.00 H ATOM 1947 H LYS A 669 30.044 46.167 -14.701 1.00 0.00 H ATOM 1948 N PRO A 670 33.798 48.278 -14.144 1.00 58.63 N ATOM 1949 CA PRO A 670 34.250 49.517 -13.494 1.00 54.72 C ATOM 1950 C PRO A 670 33.428 50.749 -13.817 1.00 52.26 C ATOM 1951 O PRO A 670 33.035 51.462 -12.917 1.00 49.10 O ATOM 1952 CB PRO A 670 35.670 49.675 -14.005 1.00 54.24 C ATOM 1953 CG PRO A 670 36.118 48.286 -14.199 1.00 56.53 C ATOM 1954 CD PRO A 670 34.934 47.563 -14.747 1.00 58.69 C ATOM 1955 N ALA A 671 33.155 50.954 -15.095 1.00 53.13 N ATOM 1956 CA ALA A 671 32.382 52.096 -15.559 1.00 53.41 C ATOM 1957 C ALA A 671 30.926 52.059 -15.124 1.00 52.83 C ATOM 1958 O ALA A 671 30.328 53.097 -14.901 1.00 51.70 O ATOM 1959 CB ALA A 671 32.453 52.184 -17.072 1.00 55.71 C ATOM 1960 H ALA A 671 33.507 50.271 -15.796 1.00 0.00 H ATOM 1961 N ALA A 672 30.348 50.870 -15.047 1.00 54.40 N ATOM 1962 CA ALA A 672 28.975 50.726 -14.568 1.00 54.73 C ATOM 1963 C ALA A 672 28.929 51.065 -13.081 1.00 54.59 C ATOM 1964 O ALA A 672 28.007 51.780 -12.638 1.00 56.06 O ATOM 1965 CB ALA A 672 28.450 49.319 -14.832 1.00 56.63 C ATOM 1966 H ALA A 672 30.881 50.024 -15.333 1.00 0.00 H ATOM 1967 N ALA A 673 29.930 50.584 -12.321 1.00 52.90 N ATOM 1968 CA ALA A 673 30.038 50.896 -10.889 1.00 50.59 C ATOM 1969 C ALA A 673 30.143 52.401 -10.685 1.00 49.21 C ATOM 1970 O ALA A 673 29.401 52.963 -9.891 1.00 48.80 O ATOM 1971 CB ALA A 673 31.220 50.185 -10.246 1.00 50.61 C ATOM 1972 H ALA A 673 30.648 49.973 -12.760 1.00 0.00 H ATOM 1973 N ALA A 674 31.047 53.039 -11.422 1.00 48.71 N ATOM 1974 CA ALA A 674 31.254 54.488 -11.343 1.00 49.03 C ATOM 1975 C ALA A 674 29.991 55.272 -11.624 1.00 50.07 C ATOM 1976 O ALA A 674 29.701 56.281 -10.946 1.00 46.53 O ATOM 1977 CB ALA A 674 32.319 54.958 -12.336 1.00 49.81 C ATOM 1978 H ALA A 674 31.632 52.487 -12.082 1.00 0.00 H ATOM 1979 N ALA A 675 29.244 54.798 -12.624 1.00 54.12 N ATOM 1980 CA ALA A 675 27.981 55.437 -13.052 1.00 55.84 C ATOM 1981 C ALA A 675 26.954 55.381 -11.929 1.00 57.59 C ATOM 1982 O ALA A 675 26.471 56.421 -11.458 1.00 56.41 O ATOM 1983 CB ALA A 675 27.407 54.739 -14.283 1.00 55.38 C ATOM 1984 H ALA A 675 29.564 53.943 -13.123 1.00 0.00 H ATOM 1985 N ASP A 676 26.673 54.157 -11.479 1.00 58.10 N ATOM 1986 CA ASP A 676 25.742 53.923 -10.380 1.00 57.62 C ATOM 1987 C ASP A 676 26.057 54.731 -9.137 1.00 56.24 C ATOM 1988 O ASP A 676 25.155 55.202 -8.474 1.00 61.06 O ATOM 1989 CB ASP A 676 25.708 52.435 -10.020 1.00 59.76 C ATOM 1990 CG ASP A 676 24.907 51.603 -11.016 1.00 61.53 C ATOM 1991 OD1 ASP A 676 24.376 52.147 -12.006 1.00 61.96 O ATOM 1992 OD2 ASP A 676 24.791 50.387 -10.792 1.00 64.99 O ATOM 1993 H ASP A 676 27.134 53.340 -11.928 1.00 0.00 H ATOM 1994 N MET A 677 27.333 54.888 -8.806 1.00 54.98 N ATOM 1995 CA MET A 677 27.715 55.611 -7.599 1.00 50.29 C ATOM 1996 C MET A 677 27.524 57.075 -7.830 1.00 49.33 C ATOM 1997 O MET A 677 27.052 57.778 -6.945 1.00 48.52 O ATOM 1998 CB MET A 677 29.158 55.312 -7.205 1.00 48.75 C ATOM 1999 CG MET A 677 29.410 53.927 -6.620 1.00 47.97 C ATOM 2000 SD MET A 677 31.054 53.886 -5.851 1.00 46.74 S ATOM 2001 CE MET A 677 32.082 53.951 -7.293 1.00 47.04 C ATOM 2002 H MET A 677 28.073 54.488 -9.418 1.00 0.00 H ATOM 2003 N ALA A 678 27.861 57.535 -9.026 1.00 50.93 N ATOM 2004 CA ALA A 678 27.841 58.972 -9.302 1.00 52.32 C ATOM 2005 C ALA A 678 26.480 59.494 -9.669 1.00 52.94 C ATOM 2006 O ALA A 678 26.182 60.596 -9.344 1.00 52.09 O ATOM 2007 CB ALA A 678 28.810 59.311 -10.410 1.00 53.61 C ATOM 2008 H ALA A 678 28.142 56.870 -9.774 1.00 0.00 H ATOM 2009 N TYR A 679 25.676 58.722 -10.385 1.00 57.96 N ATOM 2010 CA TYR A 679 24.415 59.218 -10.941 1.00 60.48 C ATOM 2011 C TYR A 679 23.267 58.708 -10.078 1.00 63.91 C ATOM 2012 O TYR A 679 22.675 59.472 -9.334 1.00 71.68 O ATOM 2013 CB TYR A 679 24.274 58.833 -12.428 1.00 61.37 C ATOM 2014 CG TYR A 679 25.380 59.383 -13.345 1.00 62.64 C ATOM 2015 CD1 TYR A 679 25.846 60.713 -13.231 1.00 63.41 C ATOM 2016 CD2 TYR A 679 25.962 58.577 -14.324 1.00 63.44 C ATOM 2017 CE1 TYR A 679 26.857 61.207 -14.057 1.00 63.45 C ATOM 2018 CE2 TYR A 679 26.957 59.063 -15.161 1.00 63.87 C ATOM 2019 CZ TYR A 679 27.406 60.369 -15.027 1.00 64.82 C ATOM 2020 OH TYR A 679 28.412 60.811 -15.867 1.00 66.78 O ATOM 2021 HH TYR A 679 28.626 61.754 -15.656 1.00 0.00 H ATOM 2022 H TYR A 679 25.949 57.733 -10.558 1.00 0.00 H ATOM 2023 N HIS A 680 23.019 57.411 -10.095 1.00 65.90 N ATOM 2024 CA HIS A 680 21.978 56.805 -9.270 1.00 66.77 C ATOM 2025 C HIS A 680 22.249 56.865 -7.731 1.00 63.57 C ATOM 2026 O HIS A 680 21.414 56.409 -6.974 1.00 63.80 O ATOM 2027 CB HIS A 680 21.762 55.331 -9.680 1.00 70.53 C ATOM 2028 CG HIS A 680 21.442 55.116 -11.141 1.00 74.42 C ATOM 2029 ND1 HIS A 680 20.203 55.381 -11.683 1.00 75.84 N ATOM 2030 CD2 HIS A 680 22.187 54.605 -12.156 1.00 77.43 C ATOM 2031 CE1 HIS A 680 20.201 55.059 -12.966 1.00 77.55 C ATOM 2032 NE2 HIS A 680 21.396 54.591 -13.280 1.00 78.10 N ATOM 2033 H HIS A 680 23.585 56.800 -10.718 1.00 0.00 H ATOM 2034 N HIS A 681 23.390 57.404 -7.273 1.00 61.83 N ATOM 2035 CA HIS A 681 23.710 57.590 -5.819 1.00 61.47 C ATOM 2036 C HIS A 681 23.884 56.314 -4.953 1.00 58.43 C ATOM 2037 O HIS A 681 23.880 56.374 -3.724 1.00 55.44 O ATOM 2038 CB HIS A 681 22.729 58.572 -5.163 1.00 63.27 C ATOM 2039 CG HIS A 681 23.032 60.012 -5.455 1.00 69.40 C ATOM 2040 ND1 HIS A 681 23.772 60.802 -4.598 1.00 68.74 N ATOM 2041 CD2 HIS A 681 22.674 60.815 -6.490 1.00 71.39 C ATOM 2042 CE1 HIS A 681 23.859 62.024 -5.088 1.00 69.06 C ATOM 2043 NE2 HIS A 681 23.211 62.056 -6.240 1.00 72.95 N ATOM 2044 H HIS A 681 24.097 57.712 -7.970 1.00 0.00 H ATOM 2045 N ILE A 682 24.103 55.177 -5.608 1.00 56.32 N ATOM 2046 CA ILE A 682 24.209 53.891 -4.930 1.00 56.78 C ATOM 2047 C ILE A 682 25.572 53.732 -4.243 1.00 54.89 C ATOM 2048 O ILE A 682 26.604 54.206 -4.716 1.00 56.28 O ATOM 2049 CB ILE A 682 23.953 52.680 -5.896 1.00 58.49 C ATOM 2050 CG1 ILE A 682 22.561 52.794 -6.520 1.00 60.85 C ATOM 2051 CG2 ILE A 682 24.024 51.329 -5.151 1.00 57.97 C ATOM 2052 CD1 ILE A 682 22.269 51.814 -7.638 1.00 63.90 C ATOM 2053 H ILE A 682 24.202 55.207 -6.643 1.00 0.00 H ATOM 2054 N ARG A 683 25.565 53.040 -3.117 1.00 52.32 N ATOM 2055 CA ARG A 683 26.781 52.669 -2.432 1.00 49.03 C ATOM 2056 C ARG A 683 26.651 51.196 -2.129 1.00 48.90 C ATOM 2057 O ARG A 683 25.568 50.673 -2.183 1.00 52.22 O ATOM 2058 CB ARG A 683 26.939 53.507 -1.151 1.00 47.31 C ATOM 2059 CG ARG A 683 26.961 55.027 -1.378 1.00 45.20 C ATOM 2060 CD ARG A 683 28.244 55.494 -2.068 1.00 44.14 C ATOM 2061 NE ARG A 683 28.265 56.923 -2.329 1.00 42.19 N ATOM 2062 CZ ARG A 683 27.788 57.513 -3.422 1.00 42.07 C ATOM 2063 NH1 ARG A 683 27.852 58.848 -3.552 1.00 41.30 N ATOM 2064 NH2 ARG A 683 27.241 56.795 -4.396 1.00 43.35 N ATOM 2065 HE ARG A 683 28.687 57.535 -1.602 1.00 0.00 H ATOM 2066 HH12 ARG A 683 27.478 59.306 -4.408 1.00 0.00 H ATOM 2067 HH11 ARG A 683 28.275 59.424 -2.797 1.00 0.00 H ATOM 2068 HH22 ARG A 683 26.872 57.267 -5.246 1.00 0.00 H ATOM 2069 HH21 ARG A 683 27.182 55.760 -4.309 1.00 0.00 H ATOM 2070 H ARG A 683 24.652 52.753 -2.710 1.00 0.00 H ATOM 2071 N PRO A 684 27.744 50.519 -1.798 1.00 48.11 N ATOM 2072 CA PRO A 684 27.614 49.102 -1.476 1.00 48.59 C ATOM 2073 C PRO A 684 26.779 48.836 -0.240 1.00 48.77 C ATOM 2074 O PRO A 684 26.682 49.715 0.620 1.00 48.88 O ATOM 2075 CB PRO A 684 29.063 48.671 -1.203 1.00 49.05 C ATOM 2076 CG PRO A 684 29.901 49.703 -1.894 1.00 48.40 C ATOM 2077 CD PRO A 684 29.145 50.973 -1.751 1.00 47.46 C ATOM 2078 N PRO A 685 26.234 47.608 -0.113 1.00 50.74 N ATOM 2079 CA PRO A 685 25.386 47.333 1.032 1.00 51.83 C ATOM 2080 C PRO A 685 26.199 47.326 2.304 1.00 51.50 C ATOM 2081 O PRO A 685 27.251 46.722 2.313 1.00 52.20 O ATOM 2082 CB PRO A 685 24.846 45.929 0.758 1.00 52.43 C ATOM 2083 CG PRO A 685 25.475 45.474 -0.506 1.00 52.39 C ATOM 2084 CD PRO A 685 26.625 46.353 -0.779 1.00 51.74 C ATOM 2085 N ILE A 686 25.725 48.044 3.322 1.00 51.63 N ATOM 2086 CA ILE A 686 26.287 48.001 4.651 1.00 52.20 C ATOM 2087 C ILE A 686 25.406 47.062 5.454 1.00 53.32 C ATOM 2088 O ILE A 686 24.286 47.439 5.814 1.00 52.15 O ATOM 2089 CB ILE A 686 26.292 49.395 5.325 1.00 53.53 C ATOM 2090 CG1 ILE A 686 27.047 50.423 4.467 1.00 52.01 C ATOM 2091 CG2 ILE A 686 26.923 49.321 6.726 1.00 54.81 C ATOM 2092 CD1 ILE A 686 27.066 51.803 5.081 1.00 50.91 C ATOM 2093 H ILE A 686 24.910 48.666 3.150 1.00 0.00 H ATOM 2094 N GLY A 687 25.919 45.856 5.733 1.00 54.22 N ATOM 2095 CA GLY A 687 25.233 44.880 6.568 1.00 56.69 C ATOM 2096 C GLY A 687 25.148 45.349 8.009 1.00 58.94 C ATOM 2097 O GLY A 687 25.946 46.180 8.438 1.00 58.99 O ATOM 2098 H GLY A 687 26.847 45.606 5.336 1.00 0.00 H ATOM 2099 N TYR A 688 24.175 44.832 8.764 1.00 61.14 N ATOM 2100 CA TYR A 688 24.088 45.137 10.191 1.00 61.26 C ATOM 2101 C TYR A 688 25.302 44.625 10.997 1.00 61.87 C ATOM 2102 O TYR A 688 25.614 45.181 12.028 1.00 61.47 O ATOM 2103 CB TYR A 688 22.882 44.484 10.795 1.00 62.85 C ATOM 2104 CG TYR A 688 21.543 44.840 10.258 1.00 63.01 C ATOM 2105 CD1 TYR A 688 21.093 46.158 10.271 1.00 62.64 C ATOM 2106 CD2 TYR A 688 20.656 43.832 9.835 1.00 63.74 C ATOM 2107 CE1 TYR A 688 19.810 46.475 9.822 1.00 62.80 C ATOM 2108 CE2 TYR A 688 19.390 44.136 9.385 1.00 64.02 C ATOM 2109 CZ TYR A 688 18.965 45.444 9.382 1.00 63.16 C ATOM 2110 OH TYR A 688 17.689 45.675 8.944 1.00 63.92 O ATOM 2111 HH TYR A 688 17.497 46.645 8.987 1.00 0.00 H ATOM 2112 H TYR A 688 23.469 44.203 8.330 1.00 0.00 H ATOM 2113 N SER A 689 25.937 43.543 10.550 1.00 63.73 N ATOM 2114 CA SER A 689 27.176 42.996 11.174 1.00 66.90 C ATOM 2115 C SER A 689 28.433 43.905 11.218 1.00 65.24 C ATOM 2116 O SER A 689 29.384 43.615 11.945 1.00 64.89 O ATOM 2117 CB SER A 689 27.601 41.722 10.435 1.00 69.12 C ATOM 2118 OG SER A 689 27.979 42.043 9.098 1.00 67.97 O ATOM 2119 HG SER A 689 28.252 41.217 8.626 1.00 0.00 H ATOM 2120 H SER A 689 25.547 43.052 9.720 1.00 0.00 H ATOM 2121 N ILE A 690 28.459 44.958 10.402 1.00 63.54 N ATOM 2122 CA ILE A 690 29.549 45.947 10.418 1.00 61.15 C ATOM 2123 C ILE A 690 29.478 46.820 11.677 1.00 60.48 C ATOM 2124 O ILE A 690 28.459 47.444 11.935 1.00 61.35 O ATOM 2125 CB ILE A 690 29.534 46.809 9.130 1.00 59.09 C ATOM 2126 CG1 ILE A 690 29.918 45.917 7.950 1.00 58.38 C ATOM 2127 CG2 ILE A 690 30.483 48.003 9.230 1.00 58.49 C ATOM 2128 CD1 ILE A 690 29.582 46.469 6.596 1.00 57.77 C ATOM 2129 H ILE A 690 27.678 45.086 9.727 1.00 0.00 H ATOM 2130 N PRO A 691 30.568 46.871 12.456 1.00 60.58 N ATOM 2131 CA PRO A 691 30.545 47.658 13.707 1.00 61.35 C ATOM 2132 C PRO A 691 30.200 49.122 13.482 1.00 59.61 C ATOM 2133 O PRO A 691 30.561 49.661 12.435 1.00 58.55 O ATOM 2134 CB PRO A 691 31.986 47.524 14.238 1.00 60.98 C ATOM 2135 CG PRO A 691 32.536 46.301 13.595 1.00 60.65 C ATOM 2136 CD PRO A 691 31.836 46.130 12.278 1.00 59.72 C ATOM 2137 N LYS A 692 29.536 49.740 14.455 1.00 60.46 N ATOM 2138 CA LYS A 692 29.065 51.129 14.327 1.00 63.40 C ATOM 2139 C LYS A 692 30.102 52.199 13.952 1.00 62.62 C ATOM 2140 O LYS A 692 29.879 52.962 13.005 1.00 62.55 O ATOM 2141 CB LYS A 692 28.311 51.596 15.583 1.00 67.57 C ATOM 2142 CG LYS A 692 26.809 51.342 15.530 1.00 70.10 C ATOM 2143 CD LYS A 692 26.122 51.900 16.758 1.00 74.49 C ATOM 2144 CE LYS A 692 24.863 51.117 17.061 1.00 79.77 C ATOM 2145 NZ LYS A 692 24.223 51.561 18.328 1.00 83.67 N ATOM 2146 HZ1 LYS A 692 24.888 51.427 19.116 1.00 0.00 H ATOM 2147 HZ2 LYS A 692 23.971 52.567 18.253 1.00 0.00 H ATOM 2148 HZ3 LYS A 692 23.365 50.999 18.497 1.00 0.00 H ATOM 2149 H LYS A 692 29.343 49.224 15.337 1.00 0.00 H ATOM 2150 N PRO A 693 31.231 52.271 14.676 1.00 63.58 N ATOM 2151 CA PRO A 693 32.224 53.321 14.343 1.00 62.41 C ATOM 2152 C PRO A 693 32.686 53.287 12.869 1.00 60.47 C ATOM 2153 O PRO A 693 33.028 54.328 12.272 1.00 60.41 O ATOM 2154 CB PRO A 693 33.419 52.996 15.277 1.00 63.32 C ATOM 2155 CG PRO A 693 32.903 52.022 16.293 1.00 64.55 C ATOM 2156 CD PRO A 693 31.771 51.282 15.631 1.00 64.86 C ATOM 2157 N ILE A 694 32.714 52.070 12.330 1.00 57.88 N ATOM 2158 CA ILE A 694 33.146 51.801 10.996 1.00 54.40 C ATOM 2159 C ILE A 694 32.099 52.174 9.999 1.00 51.65 C ATOM 2160 O ILE A 694 32.399 52.841 9.031 1.00 49.08 O ATOM 2161 CB ILE A 694 33.535 50.318 10.862 1.00 57.49 C ATOM 2162 CG1 ILE A 694 34.851 50.087 11.643 1.00 58.76 C ATOM 2163 CG2 ILE A 694 33.711 49.925 9.398 1.00 56.97 C ATOM 2164 CD1 ILE A 694 35.175 48.650 11.958 1.00 59.67 C ATOM 2165 H ILE A 694 32.403 51.268 12.915 1.00 0.00 H ATOM 2166 N SER A 695 30.870 51.720 10.201 1.00 52.89 N ATOM 2167 CA SER A 695 29.806 52.042 9.237 1.00 52.56 C ATOM 2168 C SER A 695 29.571 53.544 9.205 1.00 50.94 C ATOM 2169 O SER A 695 29.255 54.092 8.168 1.00 48.37 O ATOM 2170 CB SER A 695 28.513 51.285 9.524 1.00 54.53 C ATOM 2171 OG SER A 695 28.065 51.535 10.839 1.00 59.10 O ATOM 2172 HG SER A 695 28.757 51.241 11.483 1.00 0.00 H ATOM 2173 H SER A 695 30.659 51.139 11.037 1.00 0.00 H ATOM 2174 N SER A 696 29.765 54.199 10.342 1.00 52.04 N ATOM 2175 CA SER A 696 29.833 55.637 10.385 1.00 54.54 C ATOM 2176 C SER A 696 30.876 56.209 9.424 1.00 50.70 C ATOM 2177 O SER A 696 30.543 57.027 8.552 1.00 50.61 O ATOM 2178 CB SER A 696 30.120 56.128 11.806 1.00 59.22 C ATOM 2179 OG SER A 696 30.282 57.548 11.811 1.00 65.78 O ATOM 2180 HG SER A 696 30.467 57.855 12.734 1.00 0.00 H ATOM 2181 H SER A 696 29.871 53.660 11.225 1.00 0.00 H ATOM 2182 N LEU A 697 32.125 55.805 9.581 1.00 48.29 N ATOM 2183 CA LEU A 697 33.169 56.202 8.604 1.00 47.44 C ATOM 2184 C LEU A 697 32.799 55.909 7.155 1.00 45.71 C ATOM 2185 O LEU A 697 33.087 56.706 6.262 1.00 43.97 O ATOM 2186 CB LEU A 697 34.514 55.517 8.877 1.00 47.05 C ATOM 2187 CG LEU A 697 35.273 55.974 10.118 1.00 47.44 C ATOM 2188 CD1 LEU A 697 36.446 55.056 10.357 1.00 47.17 C ATOM 2189 CD2 LEU A 697 35.753 57.406 9.950 1.00 47.24 C ATOM 2190 H LEU A 697 32.377 55.206 10.393 1.00 0.00 H ATOM 2191 N LEU A 698 32.183 54.758 6.925 1.00 45.84 N ATOM 2192 CA LEU A 698 31.755 54.416 5.599 1.00 45.70 C ATOM 2193 C LEU A 698 30.714 55.378 5.112 1.00 45.29 C ATOM 2194 O LEU A 698 30.823 55.894 4.009 1.00 46.47 O ATOM 2195 CB LEU A 698 31.189 53.020 5.549 1.00 47.29 C ATOM 2196 CG LEU A 698 32.163 51.858 5.695 1.00 50.27 C ATOM 2197 CD1 LEU A 698 31.367 50.553 5.579 1.00 52.08 C ATOM 2198 CD2 LEU A 698 33.306 51.902 4.670 1.00 49.26 C ATOM 2199 H LEU A 698 32.009 54.099 7.710 1.00 0.00 H ATOM 2200 N ILE A 699 29.701 55.621 5.923 1.00 44.93 N ATOM 2201 CA ILE A 699 28.589 56.442 5.477 1.00 45.28 C ATOM 2202 C ILE A 699 29.061 57.856 5.200 1.00 44.31 C ATOM 2203 O ILE A 699 28.719 58.423 4.165 1.00 44.53 O ATOM 2204 CB ILE A 699 27.450 56.440 6.499 1.00 46.77 C ATOM 2205 CG1 ILE A 699 26.738 55.102 6.439 1.00 47.81 C ATOM 2206 CG2 ILE A 699 26.451 57.570 6.269 1.00 46.69 C ATOM 2207 CD1 ILE A 699 25.992 54.789 7.722 1.00 50.03 C ATOM 2208 H ILE A 699 29.699 55.223 6.884 1.00 0.00 H ATOM 2209 N ARG A 700 29.845 58.419 6.107 1.00 43.40 N ATOM 2210 CA ARG A 700 30.351 59.771 5.905 1.00 42.80 C ATOM 2211 C ARG A 700 31.357 59.792 4.775 1.00 41.65 C ATOM 2212 O ARG A 700 31.277 60.610 3.876 1.00 40.13 O ATOM 2213 CB ARG A 700 31.003 60.282 7.172 1.00 43.81 C ATOM 2214 CG ARG A 700 30.026 60.403 8.329 1.00 45.56 C ATOM 2215 CD ARG A 700 30.683 60.389 9.700 1.00 46.23 C ATOM 2216 NE ARG A 700 31.527 61.578 9.852 1.00 47.30 N ATOM 2217 CZ ARG A 700 32.577 61.681 10.672 1.00 48.91 C ATOM 2218 NH1 ARG A 700 32.947 60.659 11.466 1.00 49.70 N ATOM 2219 NH2 ARG A 700 33.276 62.814 10.674 1.00 48.68 N ATOM 2220 HE ARG A 700 31.289 62.409 9.274 1.00 0.00 H ATOM 2221 HH12 ARG A 700 33.768 60.761 12.097 1.00 0.00 H ATOM 2222 HH11 ARG A 700 32.412 59.767 11.449 1.00 0.00 H ATOM 2223 HH22 ARG A 700 34.097 62.917 11.304 1.00 0.00 H ATOM 2224 HH21 ARG A 700 33.001 63.596 10.046 1.00 0.00 H ATOM 2225 H ARG A 700 30.101 57.894 6.967 1.00 0.00 H ATOM 2226 N GLY A 701 32.299 58.865 4.841 1.00 42.41 N ATOM 2227 CA GLY A 701 33.395 58.754 3.886 1.00 41.51 C ATOM 2228 C GLY A 701 33.023 58.690 2.439 1.00 41.24 C ATOM 2229 O GLY A 701 33.804 59.155 1.617 1.00 43.40 O ATOM 2230 H GLY A 701 32.255 58.176 5.619 1.00 0.00 H ATOM 2231 N TRP A 702 31.860 58.124 2.103 1.00 40.24 N ATOM 2232 CA TRP A 702 31.448 58.085 0.698 1.00 39.53 C ATOM 2233 C TRP A 702 30.216 58.937 0.384 1.00 38.97 C ATOM 2234 O TRP A 702 29.416 58.671 -0.511 1.00 37.53 O ATOM 2235 CB TRP A 702 31.350 56.663 0.163 1.00 40.11 C ATOM 2236 CG TRP A 702 30.400 55.780 0.787 1.00 40.61 C ATOM 2237 CD1 TRP A 702 29.178 56.090 1.277 1.00 40.63 C ATOM 2238 CD2 TRP A 702 30.560 54.377 0.950 1.00 41.87 C ATOM 2239 NE1 TRP A 702 28.569 54.974 1.778 1.00 41.22 N ATOM 2240 CE2 TRP A 702 29.384 53.898 1.580 1.00 42.35 C ATOM 2241 CE3 TRP A 702 31.584 53.476 0.642 1.00 41.41 C ATOM 2242 CZ2 TRP A 702 29.184 52.548 1.880 1.00 43.48 C ATOM 2243 CZ3 TRP A 702 31.391 52.136 0.953 1.00 43.66 C ATOM 2244 CH2 TRP A 702 30.189 51.684 1.568 1.00 44.14 C ATOM 2245 HE1 TRP A 702 27.636 54.949 2.236 1.00 0.00 H ATOM 2246 H TRP A 702 31.249 57.712 2.837 1.00 0.00 H ATOM 2247 N ASN A 703 30.123 60.020 1.105 1.00 40.34 N ATOM 2248 CA ASN A 703 29.105 61.016 0.865 1.00 42.78 C ATOM 2249 C ASN A 703 29.320 61.636 -0.528 1.00 41.81 C ATOM 2250 O ASN A 703 30.440 61.952 -0.926 1.00 40.22 O ATOM 2251 CB ASN A 703 29.177 62.043 2.011 1.00 44.09 C ATOM 2252 CG ASN A 703 28.148 63.097 1.917 1.00 45.30 C ATOM 2253 OD1 ASN A 703 27.691 63.450 0.827 1.00 47.79 O ATOM 2254 ND2 ASN A 703 27.812 63.666 3.048 1.00 46.47 N ATOM 2255 HD22 ASN A 703 28.226 63.331 3.942 1.00 0.00 H ATOM 2256 HD21 ASN A 703 27.131 64.452 3.052 1.00 0.00 H ATOM 2257 H ASN A 703 30.803 60.171 1.877 1.00 0.00 H ATOM 2258 N ALA A 704 28.235 61.801 -1.269 1.00 42.51 N ATOM 2259 CA ALA A 704 28.333 62.475 -2.547 1.00 42.11 C ATOM 2260 C ALA A 704 28.885 63.893 -2.390 1.00 41.59 C ATOM 2261 O ALA A 704 29.582 64.361 -3.278 1.00 39.66 O ATOM 2262 CB ALA A 704 27.000 62.496 -3.248 1.00 41.43 C ATOM 2263 H ALA A 704 27.316 61.448 -0.934 1.00 0.00 H ATOM 2264 N CYS A 705 28.533 64.567 -1.291 1.00 41.74 N ATOM 2265 CA CYS A 705 29.059 65.901 -0.989 1.00 42.50 C ATOM 2266 C CYS A 705 30.460 65.787 -0.389 1.00 43.84 C ATOM 2267 O CYS A 705 30.604 65.414 0.786 1.00 45.94 O ATOM 2268 CB CYS A 705 28.155 66.652 -0.016 1.00 41.90 C ATOM 2269 SG CYS A 705 28.881 68.177 0.618 1.00 42.42 S ATOM 2270 H CYS A 705 27.863 64.130 -0.627 1.00 0.00 H ATOM 2271 N PRO A 706 31.502 66.135 -1.164 1.00 43.64 N ATOM 2272 CA PRO A 706 32.866 65.955 -0.645 1.00 43.83 C ATOM 2273 C PRO A 706 33.110 66.619 0.690 1.00 44.09 C ATOM 2274 O PRO A 706 33.781 66.057 1.524 1.00 45.59 O ATOM 2275 CB PRO A 706 33.737 66.605 -1.721 1.00 45.06 C ATOM 2276 CG PRO A 706 32.896 66.610 -2.979 1.00 44.31 C ATOM 2277 CD PRO A 706 31.501 66.809 -2.479 1.00 44.06 C ATOM 2278 N GLU A 707 32.516 67.786 0.898 1.00 45.43 N ATOM 2279 CA GLU A 707 32.748 68.603 2.103 1.00 47.02 C ATOM 2280 C GLU A 707 32.316 67.834 3.345 1.00 45.44 C ATOM 2281 O GLU A 707 32.815 68.071 4.423 1.00 46.77 O ATOM 2282 CB GLU A 707 32.027 69.986 2.023 1.00 49.48 C ATOM 2283 CG GLU A 707 32.609 71.014 1.032 1.00 51.41 C ATOM 2284 CD GLU A 707 32.571 70.553 -0.440 1.00 54.18 C ATOM 2285 OE1 GLU A 707 31.475 70.204 -0.971 1.00 56.17 O ATOM 2286 OE2 GLU A 707 33.652 70.502 -1.091 1.00 56.89 O ATOM 2287 H GLU A 707 31.856 68.142 0.178 1.00 0.00 H ATOM 2288 N GLY A 708 31.403 66.891 3.179 1.00 45.04 N ATOM 2289 CA GLY A 708 30.896 66.070 4.278 1.00 45.13 C ATOM 2290 C GLY A 708 31.641 64.775 4.589 1.00 45.34 C ATOM 2291 O GLY A 708 31.167 63.952 5.412 1.00 46.40 O ATOM 2292 H GLY A 708 31.029 66.726 2.223 1.00 0.00 H ATOM 2293 N ARG A 709 32.813 64.589 3.976 1.00 43.44 N ATOM 2294 CA ARG A 709 33.640 63.423 4.257 1.00 40.87 C ATOM 2295 C ARG A 709 34.633 63.773 5.326 1.00 40.99 C ATOM 2296 O ARG A 709 35.152 64.858 5.343 1.00 39.94 O ATOM 2297 CB ARG A 709 34.368 62.981 3.003 1.00 39.12 C ATOM 2298 CG ARG A 709 33.414 62.665 1.866 1.00 38.03 C ATOM 2299 CD ARG A 709 34.141 62.393 0.578 1.00 36.65 C ATOM 2300 NE ARG A 709 33.201 62.267 -0.518 1.00 36.09 N ATOM 2301 CZ ARG A 709 33.434 62.613 -1.783 1.00 36.68 C ATOM 2302 NH1 ARG A 709 34.613 63.091 -2.194 1.00 37.16 N ATOM 2303 NH2 ARG A 709 32.462 62.475 -2.662 1.00 36.86 N ATOM 2304 HE ARG A 709 32.264 61.873 -0.298 1.00 0.00 H ATOM 2305 HH12 ARG A 709 34.750 63.349 -3.192 1.00 0.00 H ATOM 2306 HH11 ARG A 709 35.393 63.205 -1.516 1.00 0.00 H ATOM 2307 HH22 ARG A 709 32.619 62.738 -3.656 1.00 0.00 H ATOM 2308 HH21 ARG A 709 31.538 62.103 -2.362 1.00 0.00 H ATOM 2309 H ARG A 709 33.142 65.291 3.283 1.00 0.00 H ATOM 2310 N PRO A 710 34.921 62.846 6.222 1.00 43.16 N ATOM 2311 CA PRO A 710 35.925 63.174 7.225 1.00 44.98 C ATOM 2312 C PRO A 710 37.337 63.479 6.688 1.00 45.53 C ATOM 2313 O PRO A 710 37.723 62.996 5.608 1.00 44.56 O ATOM 2314 CB PRO A 710 35.988 61.871 8.057 1.00 45.57 C ATOM 2315 CG PRO A 710 35.473 60.798 7.166 1.00 44.04 C ATOM 2316 CD PRO A 710 34.392 61.479 6.398 1.00 43.14 C ATOM 2317 N GLU A 711 38.109 64.285 7.413 1.00 46.36 N ATOM 2318 CA GLU A 711 39.562 64.384 7.143 1.00 46.56 C ATOM 2319 C GLU A 711 40.232 63.135 7.746 1.00 47.25 C ATOM 2320 O GLU A 711 39.744 62.560 8.735 1.00 48.85 O ATOM 2321 CB GLU A 711 40.198 65.679 7.719 1.00 46.75 C ATOM 2322 CG GLU A 711 39.955 66.993 6.947 1.00 45.69 C ATOM 2323 CD GLU A 711 40.708 67.113 5.618 1.00 44.23 C ATOM 2324 OE1 GLU A 711 41.646 66.333 5.331 1.00 43.25 O ATOM 2325 OE2 GLU A 711 40.357 68.019 4.846 1.00 43.66 O ATOM 2326 H GLU A 711 37.688 64.851 8.177 1.00 0.00 H ATOM 2327 N PHE A 712 41.341 62.721 7.154 1.00 46.38 N ATOM 2328 CA PHE A 712 42.016 61.482 7.546 1.00 47.17 C ATOM 2329 C PHE A 712 42.524 61.428 8.982 1.00 47.62 C ATOM 2330 O PHE A 712 42.494 60.354 9.599 1.00 48.38 O ATOM 2331 CB PHE A 712 43.159 61.122 6.586 1.00 48.16 C ATOM 2332 CG PHE A 712 42.710 60.345 5.386 1.00 47.61 C ATOM 2333 CD1 PHE A 712 42.331 59.017 5.529 1.00 48.93 C ATOM 2334 CD2 PHE A 712 42.639 60.934 4.143 1.00 45.88 C ATOM 2335 CE1 PHE A 712 41.896 58.295 4.448 1.00 48.92 C ATOM 2336 CE2 PHE A 712 42.196 60.225 3.060 1.00 46.65 C ATOM 2337 CZ PHE A 712 41.830 58.904 3.204 1.00 48.42 C ATOM 2338 H PHE A 712 41.746 63.294 6.386 1.00 0.00 H ATOM 2339 N SER A 713 42.945 62.566 9.521 1.00 47.54 N ATOM 2340 CA SER A 713 43.315 62.636 10.938 1.00 48.23 C ATOM 2341 C SER A 713 42.213 62.045 11.831 1.00 47.80 C ATOM 2342 O SER A 713 42.521 61.265 12.745 1.00 46.47 O ATOM 2343 CB SER A 713 43.614 64.069 11.334 1.00 49.83 C ATOM 2344 OG SER A 713 42.802 64.948 10.592 1.00 53.19 O ATOM 2345 HG SER A 713 43.002 65.881 10.855 1.00 0.00 H ATOM 2346 H SER A 713 43.013 63.419 8.930 1.00 0.00 H ATOM 2347 N GLU A 714 40.943 62.379 11.539 1.00 47.26 N ATOM 2348 CA GLU A 714 39.785 61.781 12.247 1.00 47.93 C ATOM 2349 C GLU A 714 39.633 60.307 11.951 1.00 46.13 C ATOM 2350 O GLU A 714 39.360 59.540 12.855 1.00 46.22 O ATOM 2351 CB GLU A 714 38.451 62.496 11.933 1.00 48.48 C ATOM 2352 CG GLU A 714 37.261 61.959 12.750 1.00 50.00 C ATOM 2353 CD GLU A 714 35.919 62.568 12.375 1.00 50.65 C ATOM 2354 OE1 GLU A 714 35.913 63.545 11.584 1.00 49.31 O ATOM 2355 OE2 GLU A 714 34.861 62.054 12.855 1.00 50.77 O ATOM 2356 H GLU A 714 40.767 63.080 10.791 1.00 0.00 H ATOM 2357 N VAL A 715 39.791 59.922 10.688 1.00 44.95 N ATOM 2358 CA VAL A 715 39.687 58.502 10.283 1.00 44.38 C ATOM 2359 C VAL A 715 40.666 57.678 11.092 1.00 45.31 C ATOM 2360 O VAL A 715 40.330 56.587 11.584 1.00 45.77 O ATOM 2361 CB VAL A 715 39.967 58.309 8.790 1.00 43.13 C ATOM 2362 CG1 VAL A 715 39.878 56.848 8.406 1.00 43.13 C ATOM 2363 CG2 VAL A 715 38.962 59.086 7.964 1.00 43.86 C ATOM 2364 H VAL A 715 39.994 60.640 9.963 1.00 0.00 H ATOM 2365 N VAL A 716 41.868 58.239 11.256 1.00 45.56 N ATOM 2366 CA VAL A 716 42.920 57.622 12.064 1.00 46.37 C ATOM 2367 C VAL A 716 42.490 57.521 13.536 1.00 50.31 C ATOM 2368 O VAL A 716 42.611 56.462 14.143 1.00 50.57 O ATOM 2369 CB VAL A 716 44.274 58.376 11.930 1.00 43.84 C ATOM 2370 CG1 VAL A 716 45.288 57.827 12.906 1.00 44.51 C ATOM 2371 CG2 VAL A 716 44.847 58.265 10.533 1.00 42.07 C ATOM 2372 H VAL A 716 42.063 59.149 10.791 1.00 0.00 H ATOM 2373 N MET A 717 42.006 58.640 14.081 1.00 56.12 N ATOM 2374 CA MET A 717 41.518 58.731 15.461 1.00 62.50 C ATOM 2375 C MET A 717 40.438 57.677 15.799 1.00 60.52 C ATOM 2376 O MET A 717 40.441 57.133 16.893 1.00 60.31 O ATOM 2377 CB MET A 717 41.009 60.167 15.751 1.00 71.24 C ATOM 2378 CG MET A 717 40.481 60.434 17.178 1.00 83.53 C ATOM 2379 H MET A 717 41.973 59.497 13.493 1.00 0.00 H ATOM 2380 N LYS A 718 39.530 57.386 14.873 1.00 58.91 N ATOM 2381 CA LYS A 718 38.433 56.446 15.146 1.00 59.74 C ATOM 2382 C LYS A 718 38.898 55.025 15.010 1.00 58.69 C ATOM 2383 O LYS A 718 38.456 54.174 15.772 1.00 59.79 O ATOM 2384 CB LYS A 718 37.223 56.645 14.217 1.00 60.27 C ATOM 2385 CG LYS A 718 36.610 58.034 14.217 1.00 61.55 C ATOM 2386 CD LYS A 718 35.566 58.261 15.291 1.00 63.16 C ATOM 2387 CE LYS A 718 34.970 59.643 15.100 1.00 63.83 C ATOM 2388 NZ LYS A 718 33.795 59.893 15.969 1.00 66.40 N ATOM 2389 HZ1 LYS A 718 33.053 59.196 15.756 1.00 0.00 H ATOM 2390 HZ2 LYS A 718 34.078 59.806 16.966 1.00 0.00 H ATOM 2391 HZ3 LYS A 718 33.433 60.852 15.793 1.00 0.00 H ATOM 2392 H LYS A 718 39.597 57.832 13.936 1.00 0.00 H ATOM 2393 N LEU A 719 39.737 54.743 14.019 1.00 56.16 N ATOM 2394 CA LEU A 719 40.169 53.372 13.820 1.00 56.51 C ATOM 2395 C LEU A 719 41.144 52.896 14.918 1.00 58.62 C ATOM 2396 O LEU A 719 41.141 51.704 15.278 1.00 59.06 O ATOM 2397 CB LEU A 719 40.782 53.203 12.445 1.00 54.95 C ATOM 2398 CG LEU A 719 39.869 53.375 11.254 1.00 53.95 C ATOM 2399 CD1 LEU A 719 40.708 53.299 10.005 1.00 53.09 C ATOM 2400 CD2 LEU A 719 38.806 52.303 11.186 1.00 55.96 C ATOM 2401 H LEU A 719 40.081 55.498 13.392 1.00 0.00 H ATOM 2402 N GLU A 720 41.974 53.805 15.439 1.00 59.03 N ATOM 2403 CA GLU A 720 42.899 53.456 16.524 1.00 61.51 C ATOM 2404 C GLU A 720 42.135 53.193 17.806 1.00 62.84 C ATOM 2405 O GLU A 720 42.492 52.313 18.586 1.00 65.13 O ATOM 2406 CB GLU A 720 44.017 54.504 16.682 1.00 62.92 C ATOM 2407 CG GLU A 720 45.127 54.308 15.623 1.00 64.77 C ATOM 2408 CD GLU A 720 46.380 55.180 15.777 1.00 65.70 C ATOM 2409 OE1 GLU A 720 46.231 56.385 16.138 1.00 67.44 O ATOM 2410 OE2 GLU A 720 47.504 54.657 15.484 1.00 60.47 O ATOM 2411 H GLU A 720 41.964 54.777 15.069 1.00 0.00 H ATOM 2412 N GLU A 721 41.058 53.948 17.974 1.00 64.14 N ATOM 2413 CA GLU A 721 40.050 53.754 19.012 1.00 64.51 C ATOM 2414 C GLU A 721 39.393 52.368 18.892 1.00 65.99 C ATOM 2415 O GLU A 721 39.198 51.697 19.891 1.00 69.05 O ATOM 2416 CB GLU A 721 39.041 54.905 18.892 1.00 64.77 C ATOM 2417 CG GLU A 721 37.881 54.959 19.875 1.00 69.46 C ATOM 2418 CD GLU A 721 36.910 56.157 19.666 1.00 68.52 C ATOM 2419 OE1 GLU A 721 37.102 57.001 18.794 1.00 68.08 O ATOM 2420 OE2 GLU A 721 35.923 56.286 20.399 1.00 70.19 O ATOM 2421 H GLU A 721 40.921 54.740 17.315 1.00 0.00 H ATOM 2422 N CYS A 722 39.071 51.926 17.679 1.00 67.52 N ATOM 2423 CA CYS A 722 38.595 50.540 17.448 1.00 69.75 C ATOM 2424 C CYS A 722 39.632 49.467 17.786 1.00 72.91 C ATOM 2425 O CYS A 722 39.277 48.402 18.269 1.00 73.60 O ATOM 2426 CB CYS A 722 38.197 50.322 15.993 1.00 68.15 C ATOM 2427 SG CYS A 722 36.658 51.086 15.511 1.00 70.06 S ATOM 2428 H CYS A 722 39.156 52.572 16.868 1.00 0.00 H ATOM 2429 N LEU A 723 40.905 49.717 17.488 1.00 75.05 N ATOM 2430 CA LEU A 723 41.961 48.749 17.830 1.00 75.85 C ATOM 2431 C LEU A 723 42.077 48.530 19.340 1.00 77.57 C ATOM 2432 O LEU A 723 42.300 47.413 19.759 1.00 76.84 O ATOM 2433 CB LEU A 723 43.316 49.154 17.242 1.00 72.36 C ATOM 2434 CG LEU A 723 43.495 48.885 15.755 1.00 69.61 C ATOM 2435 CD1 LEU A 723 44.740 49.601 15.252 1.00 68.34 C ATOM 2436 CD2 LEU A 723 43.589 47.396 15.474 1.00 69.82 C ATOM 2437 H LEU A 723 41.157 50.605 17.009 1.00 0.00 H ATOM 2438 N CYS A 724 41.894 49.596 20.126 1.00 82.92 N ATOM 2439 CA CYS A 724 41.787 49.544 21.613 1.00 91.06 C ATOM 2440 C CYS A 724 40.665 48.669 22.206 1.00 99.66 C ATOM 2441 O CYS A 724 40.680 48.377 23.409 1.00106.22 O ATOM 2442 CB CYS A 724 41.612 50.959 22.198 1.00 89.76 C ATOM 2443 SG CYS A 724 43.020 52.050 21.910 1.00 86.64 S ATOM 2444 H CYS A 724 41.821 50.527 19.668 1.00 0.00 H ATOM 2445 N ASN A 725 39.671 48.316 21.389 1.00106.05 N ATOM 2446 CA ASN A 725 38.588 47.365 21.759 1.00109.45 C ATOM 2447 C ASN A 725 38.539 46.007 20.995 1.00113.70 C ATOM 2448 O ASN A 725 37.665 45.177 21.285 1.00114.93 O ATOM 2449 CB ASN A 725 37.242 48.067 21.573 1.00107.66 C ATOM 2450 CG ASN A 725 37.240 49.489 22.116 1.00108.23 C ATOM 2451 OD1 ASN A 725 38.204 49.941 22.742 1.00105.40 O ATOM 2452 ND2 ASN A 725 36.154 50.208 21.865 1.00109.47 N ATOM 2453 HD22 ASN A 725 35.364 49.789 21.334 1.00 0.00 H ATOM 2454 HD21 ASN A 725 36.092 51.191 22.199 1.00 0.00 H ATOM 2455 H ASN A 725 39.652 48.731 20.435 1.00 0.00 H ATOM 2456 N ILE A 726 39.466 45.794 20.040 1.00117.70 N ATOM 2457 CA ILE A 726 39.468 44.621 19.128 1.00114.22 C ATOM 2458 C ILE A 726 39.971 43.365 19.838 1.00117.34 C ATOM 2459 O ILE A 726 39.216 42.707 20.562 1.00118.37 O ATOM 2460 CB ILE A 726 40.332 44.906 17.885 1.00 20.00 C ATOM 2461 H ILE A 726 40.227 46.494 19.935 1.00 0.00 H TER 2462 ILE A 726 HETATM 2463 O HOH 1 48.296 57.583 -8.080 1.00 38.13 O HETATM 2464 O HOH 2 73.068 45.849 -6.493 1.00 36.82 O HETATM 2465 O HOH 3 49.171 50.247 12.770 1.00 46.60 O HETATM 2466 O HOH 4 54.783 55.822 -7.965 1.00 32.79 O HETATM 2467 O HOH 5 50.367 41.222 -5.104 1.00 28.20 O HETATM 2468 O HOH 6 32.227 57.100 -9.448 1.00 48.76 O HETATM 2469 O HOH 7 51.248 39.973 3.415 1.00 46.65 O HETATM 2470 C10 CV A 4 53.759 48.471 -7.894 1.00 0.07 C HETATM 2471 C09 CV A 4 52.843 48.642 -8.922 1.00 -0.04 C HETATM 2472 C08 CV A 4 52.657 49.865 -9.534 1.00 -0.07 C HETATM 2473 C07 CV A 4 53.403 50.949 -9.124 1.00 -0.05 C HETATM 2474 C06 CV A 4 54.315 50.782 -8.106 1.00 0.10 C HETATM 2475 S03 CV A 4 55.254 52.184 -7.590 1.00 0.07 S HETATM 2476 N02 CV A 4 56.832 51.528 -7.531 1.00 -0.25 N HETATM 2477 C01 CV A 4 57.543 51.417 -8.811 1.00 0.02 C HETATM 2478 H5 CV A 4 58.540 50.984 -8.640 1.00 0.04 H HETATM 2479 H6 CV A 4 57.649 52.416 -9.259 1.00 0.04 H HETATM 2480 H7 CV A 4 56.973 50.768 -9.492 1.00 0.04 H HETATM 2481 H8 CV A 4 57.249 51.235 -6.670 1.00 0.17 H HETATM 2482 O04 CV A 4 55.167 53.187 -8.641 1.00 -0.15 O HETATM 2483 O05 CV A 4 54.856 52.409 -6.212 1.00 -0.15 O HETATM 2484 C29 CV A 4 54.505 49.568 -7.483 1.00 -0.01 C HETATM 2485 H16 CV A 4 55.228 49.470 -6.681 1.00 0.06 H HETATM 2486 H9 CV A 4 53.274 51.917 -9.595 1.00 0.05 H HETATM 2487 H10 CV A 4 51.930 49.972 -10.331 1.00 0.06 H HETATM 2488 H11 CV A 4 52.258 47.792 -9.254 1.00 0.05 H HETATM 2489 N11 CV A 4 53.876 47.172 -7.332 1.00 -0.26 N HETATM 2490 C12 CV A 4 54.709 46.800 -6.274 1.00 0.14 C HETATM 2491 C13 CV A 4 54.625 45.496 -5.851 1.00 0.03 C HETATM 2492 C14 CV A 4 55.440 45.109 -4.804 1.00 0.15 C HETATM 2493 N15 CV A 4 55.428 43.799 -4.295 1.00 -0.24 N HETATM 2494 C16 CV A 4 54.925 42.610 -4.868 1.00 0.10 C HETATM 2495 C17 CV A 4 54.303 42.513 -6.103 1.00 -0.00 C HETATM 2496 C18 CV A 4 53.846 41.298 -6.571 1.00 -0.04 C HETATM 2497 C19 CV A 4 54.009 40.152 -5.804 1.00 0.03 C HETATM 2498 C20 CV A 4 54.628 40.253 -4.573 1.00 -0.04 C HETATM 2499 C21 CV A 4 55.079 41.468 -4.113 1.00 -0.00 C HETATM 2500 H4 CV A 4 55.562 41.528 -3.144 1.00 0.06 H HETATM 2501 H3 CV A 4 54.759 39.366 -3.964 1.00 0.08 H HETATM 2502 C22 CV A 4 53.549 38.783 -6.250 1.00 0.36 C HETATM 2503 F23 CV A 4 52.671 38.197 -5.368 1.00 -0.24 F HETATM 2504 F24 CV A 4 53.018 38.724 -7.517 1.00 -0.24 F HETATM 2505 F25 CV A 4 54.598 37.917 -6.317 1.00 -0.24 F HETATM 2506 H14 CV A 4 53.359 41.238 -7.538 1.00 0.08 H HETATM 2507 H2 CV A 4 54.174 43.403 -6.709 1.00 0.06 H HETATM 2508 H13 CV A 4 55.850 43.689 -3.362 1.00 0.23 H HETATM 2509 N26 CV A 4 56.285 45.962 -4.204 1.00 -0.26 N HETATM 2510 C27 CV A 4 56.296 47.207 -4.694 1.00 0.06 C HETATM 2511 N28 CV A 4 55.548 47.674 -5.701 1.00 -0.26 N HETATM 2512 H15 CV A 4 56.980 47.908 -4.229 1.00 0.11 H HETATM 2513 H1 CV A 4 53.944 44.796 -6.321 1.00 0.06 H HETATM 2514 H12 CV A 4 53.290 46.432 -7.745 1.00 0.22 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 237 238 248 249 250 CONECT 248 237 CONECT 249 237 CONECT 250 237 CONECT 457 458 462 463 464 CONECT 462 457 CONECT 463 457 CONECT 464 457 CONECT 1529 1530 1533 1534 1535 CONECT 1533 1529 CONECT 1534 1529 CONECT 1535 1529 CONECT 2470 2471 2484 2489 CONECT 2471 2470 2472 2488 CONECT 2472 2471 2473 2487 CONECT 2473 2472 2474 2486 CONECT 2474 2473 2475 2484 CONECT 2475 2474 2476 2482 2483 CONECT 2476 2475 2477 2481 CONECT 2477 2476 2478 2479 2480 CONECT 2478 2477 CONECT 2479 2477 CONECT 2480 2477 CONECT 2481 2476 CONECT 2482 2475 CONECT 2483 2475 CONECT 2484 2470 2474 2485 CONECT 2485 2484 CONECT 2486 2473 CONECT 2487 2472 CONECT 2488 2471 CONECT 2489 2470 2490 2514 CONECT 2490 2489 2491 2511 CONECT 2491 2490 2492 2513 CONECT 2492 2491 2493 2509 CONECT 2493 2492 2494 2508 CONECT 2494 2493 2495 2499 CONECT 2495 2494 2496 2507 CONECT 2496 2495 2497 2506 CONECT 2497 2496 2498 2502 CONECT 2498 2497 2499 2501 CONECT 2499 2494 2498 2500 CONECT 2500 2499 CONECT 2501 2498 CONECT 2502 2497 2503 2504 2505 CONECT 2503 2502 CONECT 2504 2502 CONECT 2505 2502 CONECT 2506 2496 CONECT 2507 2495 CONECT 2508 2493 CONECT 2509 2492 2510 CONECT 2510 2509 2511 2512 CONECT 2511 2490 2510 CONECT 2512 2510 CONECT 2513 2491 CONECT 2514 2489 MASTER 0 0 0 0 0 0 0 0 2510 4 61 22 END
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Structure:
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Related entries of code: 6b5j
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4yff
RCSB PDB
PDBbind
311aa, >4YFF_1|Chains... at 99%
4yfi
RCSB PDB
PDBbind
330aa, >4YFI_1|Chains... *
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
6b5j
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Troponin I-nteracting Kinase
Ligand Name
CV4
EC.Number
E.C.-.-.-.-
Resolution
2.97(Å)
Affinity (Kd/Ki/IC50)
IC50=79nM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) J. Med. Chem. Vol. 61: pp. 3076-3088
Ligand Properties
Formula
C
1
8
H
1
6
F
3
N
5
O
2
S
Molecular Weight
423.412
Exact Mass
423.098
No. of atoms
45
No. of bonds
47
Polar Surface Area
104.39
LOGP Value
3.80 (
Computed with XLOGP3
)
5.51 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 3
Canonical SMILES
CNS(=O)(=O)c1cccc(c1)Nc1ncnc(c1)Nc1ccc(cc1)C(F)(F)F
InChI String
InChI=1S/C18H16F3N5O2S/c1-22-29(27,28)15-4-2-3-14(9-15)26-17-10-16(23-11-24-17)25-13-7-5-12(6-8-13)18(19,20)21/h2-11,22H,1H3,(H2,23,24,25,26)
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):
Q59H18
Entrez Gene ID
NCBI Entrez Gene ID:
100526835
51086
ASD
Information of known allosteric effects of PDB entries
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