Browse entries in the PDBbind-CN Database
HEADER 5UT4_COMPLEX COMPND 5UT4_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 273 PHE HIS LYS ILE ARG ASN GLU ASP LEU ILE PHE ASN GLU SEQRES 2 A 273 SER LEU GLY GLN GLY THR PHE THR LYS ILE PHE LYS GLY SEQRES 3 A 273 VAL ARG ARG GLU VAL GLY ASP TYR GLY GLN LEU HIS GLU SEQRES 4 A 273 THR GLU VAL LEU LEU LYS VAL LEU ASP LYS ALA HIS ARG SEQRES 5 A 273 ASN TYR SER GLU SER PHE PHE GLU ALA ALA SER MET MET SEQRES 6 A 273 SER LYS LEU SER HIS LYS HIS LEU VAL LEU ASN TYR GLY SEQRES 7 A 273 VAL CYS VAL CYS GLY ASP GLU ASN ILE LEU VAL GLN GLU SEQRES 8 A 273 PHE VAL LYS PHE GLY SER LEU ASP THR TYR LEU LYS LYS SEQRES 9 A 273 ASN LYS ASN CYS ILE ASN ILE LEU TRP LYS LEU GLU VAL SEQRES 10 A 273 ALA LYS GLN LEU ALA ALA ALA MET HIS PHE LEU GLU GLU SEQRES 11 A 273 ASN THR LEU ILE HIS GLY ASN VAL CYS ALA LYS ASN ILE SEQRES 12 A 273 LEU LEU ILE ARG GLU GLU ASP ARG LYS THR GLY ASN PRO SEQRES 13 A 273 PRO PHE ILE LYS LEU SER ASP PRO GLY ILE SER ILE THR SEQRES 14 A 273 VAL LEU PRO LYS ASP ILE LEU GLN GLU ARG ILE PRO TRP SEQRES 15 A 273 VAL PRO PRO GLU CYS ILE GLU ASN PRO LYS ASN LEU ASN SEQRES 16 A 273 LEU ALA THR ASP LYS TRP SER PHE GLY THR THR LEU TRP SEQRES 17 A 273 GLU ILE CYS SER GLY GLY ASP LYS PRO LEU SER ALA LEU SEQRES 18 A 273 ASP SER GLN ARG LYS LEU GLN PHE TYR GLU ASP ARG HIS SEQRES 19 A 273 GLN LEU PRO ALA PRO LYS ALA ALA GLU LEU ALA ASN LEU SEQRES 20 A 273 ILE ASN ASN CYS MET ASP TYR GLU PRO ASP HIS ARG PRO SEQRES 21 A 273 SER PHE ARG ALA ILE ILE ARG ASP LEU ASN SER LEU PHE HET DQX A 385 66 ATOM 1 N PHE A 537 9.646 25.570 18.717 1.00 81.91 N ATOM 2 CA PHE A 537 8.288 25.564 19.249 1.00 80.58 C ATOM 3 C PHE A 537 7.915 26.915 19.851 1.00 82.88 C ATOM 4 O PHE A 537 8.694 27.517 20.590 1.00 86.89 O ATOM 5 CB PHE A 537 8.131 24.464 20.300 1.00 79.22 C ATOM 6 HN3 PHE A 537 10.316 25.785 19.483 1.00 0.00 H ATOM 7 HN2 PHE A 537 9.723 26.294 17.974 1.00 0.00 H ATOM 8 HN1 PHE A 537 9.864 24.635 18.316 1.00 0.00 H ATOM 9 N HIS A 538 6.716 27.387 19.523 1.00 79.58 N ATOM 10 CA HIS A 538 6.189 28.607 20.120 1.00 79.15 C ATOM 11 C HIS A 538 5.818 28.341 21.576 1.00 72.92 C ATOM 12 O HIS A 538 5.039 27.428 21.870 1.00 66.39 O ATOM 13 CB HIS A 538 4.978 29.093 19.326 1.00 82.26 C ATOM 14 CG HIS A 538 4.248 30.233 19.965 1.00 88.20 C ATOM 15 ND1 HIS A 538 4.864 31.146 20.794 1.00 92.59 N ATOM 16 CD2 HIS A 538 2.949 30.608 19.893 1.00 88.76 C ATOM 17 CE1 HIS A 538 3.976 32.033 21.207 1.00 92.99 C ATOM 18 NE2 HIS A 538 2.806 31.730 20.674 1.00 90.54 N ATOM 19 H HIS A 538 6.141 26.874 18.824 1.00 0.00 H ATOM 20 N LYS A 539 6.380 29.133 22.488 1.00 72.03 N ATOM 21 CA LYS A 539 6.107 28.991 23.912 1.00 68.53 C ATOM 22 C LYS A 539 4.848 29.777 24.261 1.00 66.27 C ATOM 23 O LYS A 539 4.790 30.994 24.050 1.00 66.90 O ATOM 24 CB LYS A 539 7.297 29.474 24.739 1.00 71.75 C ATOM 25 H LYS A 539 7.035 29.877 22.173 1.00 0.00 H ATOM 26 N ILE A 540 3.842 29.081 24.785 1.00 62.97 N ATOM 27 CA ILE A 540 2.564 29.677 25.155 1.00 61.61 C ATOM 28 C ILE A 540 2.526 29.819 26.668 1.00 66.31 C ATOM 29 O ILE A 540 2.843 28.870 27.396 1.00 65.77 O ATOM 30 CB ILE A 540 1.380 28.834 24.647 1.00 57.02 C ATOM 31 CG1 ILE A 540 1.437 28.705 23.122 1.00 54.89 C ATOM 32 CG2 ILE A 540 0.056 29.442 25.089 1.00 55.58 C ATOM 33 CD1 ILE A 540 0.301 27.900 22.531 1.00 51.19 C ATOM 34 H ILE A 540 3.974 28.061 24.938 1.00 0.00 H ATOM 35 N ARG A 541 2.146 31.004 27.139 1.00 70.24 N ATOM 36 CA ARG A 541 2.083 31.257 28.570 1.00 74.27 C ATOM 37 C ARG A 541 0.963 30.448 29.210 1.00 76.30 C ATOM 38 O ARG A 541 -0.086 30.206 28.607 1.00 75.27 O ATOM 39 CB ARG A 541 1.870 32.746 28.842 1.00 75.63 C ATOM 40 H ARG A 541 1.890 31.761 26.474 1.00 0.00 H ATOM 41 N ASN A 542 1.199 30.021 30.452 1.00 82.46 N ATOM 42 CA ASN A 542 0.170 29.297 31.189 1.00 84.07 C ATOM 43 C ASN A 542 -1.041 30.180 31.462 1.00 81.33 C ATOM 44 O ASN A 542 -2.165 29.676 31.573 1.00 79.75 O ATOM 45 CB ASN A 542 0.746 28.762 32.500 1.00 91.77 C ATOM 46 CG ASN A 542 0.199 27.397 32.865 1.00 95.98 C ATOM 47 OD1 ASN A 542 -0.860 26.987 32.386 1.00 95.74 O ATOM 48 ND2 ASN A 542 0.921 26.683 33.720 1.00 99.43 N ATOM 49 HD22 ASN A 542 1.809 27.069 34.099 1.00 0.00 H ATOM 50 HD21 ASN A 542 0.599 25.738 34.010 1.00 0.00 H ATOM 51 H ASN A 542 2.121 30.205 30.896 1.00 0.00 H ATOM 52 N GLU A 543 -0.832 31.496 31.564 1.00 78.11 N ATOM 53 CA GLU A 543 -1.939 32.411 31.823 1.00 73.11 C ATOM 54 C GLU A 543 -2.947 32.415 30.681 1.00 67.02 C ATOM 55 O GLU A 543 -4.130 32.696 30.899 1.00 66.03 O ATOM 56 CB GLU A 543 -1.406 33.824 32.063 1.00 74.00 C ATOM 57 H GLU A 543 0.131 31.873 31.457 1.00 0.00 H ATOM 58 N ASP A 544 -2.506 32.105 29.466 1.00 61.20 N ATOM 59 CA ASP A 544 -3.370 32.146 28.295 1.00 58.39 C ATOM 60 C ASP A 544 -4.089 30.827 28.028 1.00 52.41 C ATOM 61 O ASP A 544 -4.843 30.743 27.054 1.00 50.33 O ATOM 62 CB ASP A 544 -2.556 32.549 27.059 1.00 60.88 C ATOM 63 CG ASP A 544 -2.068 33.986 27.123 1.00 66.88 C ATOM 64 OD1 ASP A 544 -2.843 34.861 27.563 1.00 68.03 O ATOM 65 OD2 ASP A 544 -0.908 34.242 26.737 1.00 68.78 O ATOM 66 H ASP A 544 -1.512 31.824 29.348 1.00 0.00 H ATOM 67 N LEU A 545 -3.890 29.807 28.861 1.00 51.72 N ATOM 68 CA LEU A 545 -4.472 28.486 28.650 1.00 48.86 C ATOM 69 C LEU A 545 -5.418 28.145 29.793 1.00 50.08 C ATOM 70 O LEU A 545 -5.083 28.350 30.965 1.00 50.72 O ATOM 71 CB LEU A 545 -3.385 27.413 28.538 1.00 48.73 C ATOM 72 CG LEU A 545 -2.447 27.472 27.334 1.00 51.03 C ATOM 73 CD1 LEU A 545 -1.307 26.477 27.504 1.00 52.26 C ATOM 74 CD2 LEU A 545 -3.211 27.198 26.046 1.00 49.93 C ATOM 75 H LEU A 545 -3.293 29.959 29.699 1.00 0.00 H ATOM 76 N ILE A 546 -6.592 27.624 29.448 1.00 44.54 N ATOM 77 CA ILE A 546 -7.596 27.204 30.418 1.00 43.78 C ATOM 78 C ILE A 546 -7.912 25.738 30.157 1.00 41.51 C ATOM 79 O ILE A 546 -8.380 25.386 29.068 1.00 41.41 O ATOM 80 CB ILE A 546 -8.871 28.056 30.336 1.00 43.87 C ATOM 81 CG1 ILE A 546 -8.541 29.536 30.560 1.00 47.81 C ATOM 82 CG2 ILE A 546 -9.891 27.572 31.356 1.00 43.22 C ATOM 83 CD1 ILE A 546 -7.950 29.825 31.918 1.00 54.36 C ATOM 84 H ILE A 546 -6.804 27.511 28.436 1.00 0.00 H ATOM 85 N PHE A 547 -7.650 24.893 31.150 1.00 41.52 N ATOM 86 CA PHE A 547 -7.937 23.468 31.052 1.00 42.07 C ATOM 87 C PHE A 547 -9.414 23.199 31.305 1.00 39.48 C ATOM 88 O PHE A 547 -9.976 23.658 32.304 1.00 39.65 O ATOM 89 CB PHE A 547 -7.094 22.684 32.059 1.00 43.96 C ATOM 90 CG PHE A 547 -5.698 22.399 31.591 1.00 46.53 C ATOM 91 CD1 PHE A 547 -4.711 23.365 31.684 1.00 50.75 C ATOM 92 CD2 PHE A 547 -5.371 21.160 31.059 1.00 45.82 C ATOM 93 CE1 PHE A 547 -3.424 23.105 31.253 1.00 54.12 C ATOM 94 CE2 PHE A 547 -4.081 20.894 30.623 1.00 48.41 C ATOM 95 CZ PHE A 547 -3.110 21.869 30.719 1.00 52.53 C ATOM 96 H PHE A 547 -7.226 25.262 32.025 1.00 0.00 H ATOM 97 N ASN A 548 -10.038 22.438 30.407 1.00 37.31 N ATOM 98 CA ASN A 548 -11.412 22.003 30.620 1.00 40.32 C ATOM 99 C ASN A 548 -11.495 20.475 30.649 1.00 38.48 C ATOM 100 O ASN A 548 -10.640 19.828 31.262 1.00 36.08 O ATOM 101 CB ASN A 548 -12.323 22.619 29.559 1.00 41.60 C ATOM 102 CG ASN A 548 -12.531 24.116 29.778 1.00 47.83 C ATOM 103 OD1 ASN A 548 -12.729 24.564 30.909 1.00 49.32 O ATOM 104 ND2 ASN A 548 -12.469 24.890 28.707 1.00 44.32 N ATOM 105 HD22 ASN A 548 -12.300 24.470 27.771 1.00 0.00 H ATOM 106 HD21 ASN A 548 -12.589 25.919 28.801 1.00 0.00 H ATOM 107 H ASN A 548 -9.537 22.150 29.542 1.00 0.00 H ATOM 108 N GLU A 549 -12.501 19.884 30.003 1.00 36.27 N ATOM 109 CA GLU A 549 -12.836 18.492 30.285 1.00 40.21 C ATOM 110 C GLU A 549 -11.766 17.527 29.789 1.00 39.03 C ATOM 111 O GLU A 549 -11.153 17.724 28.736 1.00 36.76 O ATOM 112 CB GLU A 549 -14.190 18.116 29.678 1.00 40.39 C ATOM 113 CG GLU A 549 -14.273 18.188 28.177 1.00 43.53 C ATOM 114 CD GLU A 549 -14.907 19.478 27.703 1.00 49.98 C ATOM 115 OE1 GLU A 549 -14.673 20.527 28.343 1.00 50.84 O ATOM 116 OE2 GLU A 549 -15.644 19.439 26.693 1.00 53.35 O ATOM 117 H GLU A 549 -13.048 20.416 29.297 1.00 0.00 H ATOM 118 N SER A 550 -11.545 16.476 30.575 1.00 41.06 N ATOM 119 CA SER A 550 -10.665 15.391 30.171 1.00 35.86 C ATOM 120 C SER A 550 -11.299 14.617 29.026 1.00 33.94 C ATOM 121 O SER A 550 -12.488 14.287 29.070 1.00 34.99 O ATOM 122 CB SER A 550 -10.398 14.463 31.358 1.00 37.76 C ATOM 123 OG SER A 550 -9.813 13.244 30.931 1.00 36.78 O ATOM 124 HG SER A 550 -9.651 12.664 31.717 1.00 0.00 H ATOM 125 H SER A 550 -12.014 16.429 31.502 1.00 0.00 H ATOM 126 N LEU A 551 -10.504 14.345 27.991 1.00 31.54 N ATOM 127 CA LEU A 551 -10.957 13.580 26.839 1.00 31.71 C ATOM 128 C LEU A 551 -10.442 12.150 26.839 1.00 35.24 C ATOM 129 O LEU A 551 -10.984 11.312 26.110 1.00 36.81 O ATOM 130 CB LEU A 551 -10.519 14.269 25.540 1.00 33.18 C ATOM 131 CG LEU A 551 -11.021 15.711 25.402 1.00 34.29 C ATOM 132 CD1 LEU A 551 -10.411 16.394 24.194 1.00 34.56 C ATOM 133 CD2 LEU A 551 -12.533 15.731 25.308 1.00 36.86 C ATOM 134 H LEU A 551 -9.524 14.692 28.008 1.00 0.00 H ATOM 135 N GLY A 552 -9.413 11.855 27.619 1.00 36.21 N ATOM 136 CA GLY A 552 -8.890 10.504 27.664 1.00 36.48 C ATOM 137 C GLY A 552 -7.426 10.514 28.055 1.00 37.45 C ATOM 138 O GLY A 552 -6.930 11.478 28.637 1.00 34.71 O ATOM 139 H GLY A 552 -8.978 12.597 28.203 1.00 0.00 H ATOM 140 N GLN A 553 -6.753 9.419 27.707 1.00 38.54 N ATOM 141 CA GLN A 553 -5.367 9.198 28.080 1.00 42.60 C ATOM 142 C GLN A 553 -4.604 8.618 26.899 1.00 45.06 C ATOM 143 O GLN A 553 -5.150 7.830 26.124 1.00 43.85 O ATOM 144 CB GLN A 553 -5.257 8.246 29.283 1.00 48.12 C ATOM 145 CG GLN A 553 -5.972 8.732 30.535 1.00 53.46 C ATOM 146 CD GLN A 553 -6.104 7.658 31.606 1.00 61.83 C ATOM 147 OE1 GLN A 553 -5.757 6.496 31.389 1.00 64.64 O ATOM 148 NE2 GLN A 553 -6.611 8.048 32.771 1.00 64.49 N ATOM 149 HE22 GLN A 553 -6.891 9.040 32.910 1.00 0.00 H ATOM 150 HE21 GLN A 553 -6.728 7.361 33.543 1.00 0.00 H ATOM 151 H GLN A 553 -7.240 8.692 27.145 1.00 0.00 H ATOM 152 N GLY A 554 -3.349 9.033 26.768 1.00 46.02 N ATOM 153 CA GLY A 554 -2.392 8.358 25.915 1.00 45.57 C ATOM 154 C GLY A 554 -1.385 7.581 26.740 1.00 43.14 C ATOM 155 O GLY A 554 -1.552 7.358 27.938 1.00 43.14 O ATOM 156 H GLY A 554 -3.042 9.874 27.297 1.00 0.00 H ATOM 157 N THR A 555 -0.310 7.171 26.070 1.00 40.26 N ATOM 158 CA THR A 555 0.770 6.476 26.762 1.00 42.22 C ATOM 159 C THR A 555 1.567 7.495 27.566 1.00 46.67 C ATOM 160 O THR A 555 2.255 8.347 26.995 1.00 48.89 O ATOM 161 CB THR A 555 1.656 5.727 25.775 1.00 42.30 C ATOM 162 OG1 THR A 555 0.926 4.616 25.241 1.00 43.45 O ATOM 163 CG2 THR A 555 2.917 5.218 26.467 1.00 40.45 C ATOM 164 HG1 THR A 555 0.662 4.011 25.979 1.00 0.00 H ATOM 165 H THR A 555 -0.240 7.347 25.047 1.00 0.00 H ATOM 166 N PHE A 556 1.456 7.412 28.894 1.00 45.45 N ATOM 167 CA PHE A 556 2.109 8.310 29.843 1.00 45.47 C ATOM 168 C PHE A 556 1.593 9.743 29.750 1.00 45.57 C ATOM 169 O PHE A 556 2.274 10.672 30.191 1.00 46.51 O ATOM 170 CB PHE A 556 3.636 8.299 29.679 1.00 46.82 C ATOM 171 CG PHE A 556 4.259 6.936 29.822 1.00 50.50 C ATOM 172 CD1 PHE A 556 3.689 5.978 30.643 1.00 53.17 C ATOM 173 CD2 PHE A 556 5.420 6.617 29.136 1.00 51.74 C ATOM 174 CE1 PHE A 556 4.262 4.726 30.774 1.00 55.67 C ATOM 175 CE2 PHE A 556 5.999 5.365 29.263 1.00 53.21 C ATOM 176 CZ PHE A 556 5.418 4.419 30.081 1.00 54.69 C ATOM 177 H PHE A 556 0.861 6.652 29.281 1.00 0.00 H ATOM 178 N THR A 557 0.402 9.951 29.187 1.00 34.73 N ATOM 179 CA THR A 557 -0.153 11.285 29.003 1.00 37.02 C ATOM 180 C THR A 557 -1.627 11.313 29.387 1.00 35.07 C ATOM 181 O THR A 557 -2.325 10.297 29.346 1.00 37.81 O ATOM 182 CB THR A 557 -0.020 11.755 27.552 1.00 35.96 C ATOM 183 OG1 THR A 557 -0.788 10.887 26.714 1.00 36.23 O ATOM 184 CG2 THR A 557 1.431 11.723 27.102 1.00 37.94 C ATOM 185 HG1 THR A 557 -1.738 10.918 26.991 1.00 0.00 H ATOM 186 H THR A 557 -0.151 9.130 28.867 1.00 0.00 H ATOM 187 N LYS A 558 -2.091 12.508 29.752 1.00 32.82 N ATOM 188 CA LYS A 558 -3.503 12.813 29.925 1.00 32.54 C ATOM 189 C LYS A 558 -3.882 13.911 28.944 1.00 35.57 C ATOM 190 O LYS A 558 -3.104 14.838 28.707 1.00 38.20 O ATOM 191 CB LYS A 558 -3.812 13.253 31.359 1.00 37.70 C ATOM 192 CG LYS A 558 -3.362 12.256 32.408 1.00 44.99 C ATOM 193 CD LYS A 558 -3.998 12.533 33.755 1.00 52.99 C ATOM 194 CE LYS A 558 -3.680 11.414 34.731 1.00 55.67 C ATOM 195 NZ LYS A 558 -3.884 10.086 34.090 1.00 55.17 N ATOM 196 HZ1 LYS A 558 -4.875 9.998 33.786 1.00 0.00 H ATOM 197 HZ2 LYS A 558 -3.258 10.001 33.264 1.00 0.00 H ATOM 198 HZ3 LYS A 558 -3.661 9.335 34.774 1.00 0.00 H ATOM 199 H LYS A 558 -1.402 13.268 29.923 1.00 0.00 H ATOM 200 N ILE A 559 -5.075 13.808 28.369 1.00 35.56 N ATOM 201 CA ILE A 559 -5.493 14.664 27.265 1.00 32.55 C ATOM 202 C ILE A 559 -6.759 15.401 27.677 1.00 30.09 C ATOM 203 O ILE A 559 -7.679 14.794 28.234 1.00 30.98 O ATOM 204 CB ILE A 559 -5.710 13.842 25.981 1.00 33.61 C ATOM 205 CG1 ILE A 559 -4.401 13.166 25.570 1.00 35.97 C ATOM 206 CG2 ILE A 559 -6.213 14.721 24.856 1.00 26.64 C ATOM 207 CD1 ILE A 559 -4.591 11.991 24.635 1.00 35.15 C ATOM 208 H ILE A 559 -5.738 13.088 28.720 1.00 0.00 H ATOM 209 N PHE A 560 -6.797 16.709 27.408 1.00 28.87 N ATOM 210 CA PHE A 560 -7.870 17.593 27.844 1.00 30.56 C ATOM 211 C PHE A 560 -8.298 18.503 26.703 1.00 32.28 C ATOM 212 O PHE A 560 -7.500 18.841 25.823 1.00 33.62 O ATOM 213 CB PHE A 560 -7.440 18.492 29.017 1.00 29.48 C ATOM 214 CG PHE A 560 -6.953 17.739 30.219 1.00 33.98 C ATOM 215 CD1 PHE A 560 -5.638 17.303 30.299 1.00 35.29 C ATOM 216 CD2 PHE A 560 -7.805 17.484 31.282 1.00 35.28 C ATOM 217 CE1 PHE A 560 -5.188 16.609 31.411 1.00 34.77 C ATOM 218 CE2 PHE A 560 -7.360 16.787 32.397 1.00 36.30 C ATOM 219 CZ PHE A 560 -6.051 16.352 32.460 1.00 34.32 C ATOM 220 H PHE A 560 -6.017 17.119 26.856 1.00 0.00 H ATOM 221 N LYS A 561 -9.564 18.904 26.727 1.00 28.83 N ATOM 222 CA LYS A 561 -9.976 20.054 25.943 1.00 31.83 C ATOM 223 C LYS A 561 -9.646 21.325 26.720 1.00 34.66 C ATOM 224 O LYS A 561 -9.676 21.345 27.954 1.00 36.37 O ATOM 225 CB LYS A 561 -11.470 19.991 25.618 1.00 34.91 C ATOM 226 CG LYS A 561 -11.937 21.118 24.698 1.00 40.97 C ATOM 227 CD LYS A 561 -13.397 20.981 24.298 1.00 44.65 C ATOM 228 CE LYS A 561 -13.791 22.068 23.301 1.00 44.73 C ATOM 229 NZ LYS A 561 -15.179 21.885 22.789 1.00 44.90 N ATOM 230 HZ1 LYS A 561 -15.252 20.965 22.310 1.00 0.00 H ATOM 231 HZ2 LYS A 561 -15.848 21.917 23.585 1.00 0.00 H ATOM 232 HZ3 LYS A 561 -15.402 22.646 22.116 1.00 0.00 H ATOM 233 H LYS A 561 -10.260 18.394 27.308 1.00 0.00 H ATOM 234 N GLY A 562 -9.302 22.386 25.990 1.00 29.30 N ATOM 235 CA GLY A 562 -8.915 23.624 26.630 1.00 29.86 C ATOM 236 C GLY A 562 -9.248 24.808 25.749 1.00 34.17 C ATOM 237 O GLY A 562 -9.748 24.660 24.632 1.00 31.95 O ATOM 238 H GLY A 562 -9.312 22.323 24.952 1.00 0.00 H ATOM 239 N VAL A 563 -8.964 25.996 26.268 1.00 34.35 N ATOM 240 CA VAL A 563 -9.186 27.242 25.546 1.00 33.34 C ATOM 241 C VAL A 563 -7.931 28.093 25.655 1.00 34.03 C ATOM 242 O VAL A 563 -7.343 28.217 26.735 1.00 32.85 O ATOM 243 CB VAL A 563 -10.418 28.001 26.083 1.00 36.65 C ATOM 244 CG1 VAL A 563 -10.466 29.426 25.522 1.00 39.55 C ATOM 245 CG2 VAL A 563 -11.696 27.238 25.750 1.00 35.99 C ATOM 246 H VAL A 563 -8.567 26.039 27.228 1.00 0.00 H ATOM 247 N ARG A 564 -7.522 28.675 24.531 1.00 35.93 N ATOM 248 CA ARG A 564 -6.365 29.555 24.448 1.00 37.13 C ATOM 249 C ARG A 564 -6.839 30.938 24.032 1.00 37.20 C ATOM 250 O ARG A 564 -7.415 31.100 22.952 1.00 40.82 O ATOM 251 CB ARG A 564 -5.340 29.018 23.444 1.00 36.83 C ATOM 252 CG ARG A 564 -4.114 29.899 23.266 1.00 38.67 C ATOM 253 CD ARG A 564 -3.325 29.502 22.030 1.00 44.54 C ATOM 254 NE ARG A 564 -2.193 30.398 21.795 1.00 47.36 N ATOM 255 CZ ARG A 564 -1.442 30.381 20.699 1.00 48.03 C ATOM 256 NH1 ARG A 564 -1.700 29.515 19.727 1.00 46.78 N ATOM 257 NH2 ARG A 564 -0.433 31.230 20.572 1.00 49.32 N ATOM 258 HE ARG A 564 -1.961 31.093 22.533 1.00 0.00 H ATOM 259 HH12 ARG A 564 -1.110 29.504 18.870 1.00 0.00 H ATOM 260 HH11 ARG A 564 -2.492 28.847 19.822 1.00 0.00 H ATOM 261 HH22 ARG A 564 0.154 31.215 19.714 1.00 0.00 H ATOM 262 HH21 ARG A 564 -0.228 31.911 21.331 1.00 0.00 H ATOM 263 H ARG A 564 -8.060 28.491 23.660 1.00 0.00 H ATOM 264 N ARG A 565 -6.603 31.927 24.884 1.00 39.97 N ATOM 265 CA ARG A 565 -6.874 33.315 24.537 1.00 42.22 C ATOM 266 C ARG A 565 -5.683 33.855 23.756 1.00 47.04 C ATOM 267 O ARG A 565 -4.543 33.765 24.219 1.00 53.24 O ATOM 268 CB ARG A 565 -7.123 34.145 25.796 1.00 44.00 C ATOM 269 H ARG A 565 -6.215 31.706 25.823 1.00 0.00 H ATOM 270 N GLU A 566 -5.940 34.397 22.566 1.00 43.53 N ATOM 271 CA GLU A 566 -4.840 34.796 21.701 1.00 41.95 C ATOM 272 C GLU A 566 -5.240 35.975 20.827 1.00 41.61 C ATOM 273 O GLU A 566 -6.422 36.227 20.574 1.00 41.34 O ATOM 274 CB GLU A 566 -4.372 33.633 20.817 1.00 45.44 C ATOM 275 CG GLU A 566 -5.451 33.056 19.916 1.00 48.79 C ATOM 276 CD GLU A 566 -4.913 31.984 18.980 1.00 51.93 C ATOM 277 OE1 GLU A 566 -3.684 31.954 18.756 1.00 51.55 O ATOM 278 OE2 GLU A 566 -5.720 31.175 18.473 1.00 51.59 O ATOM 279 H GLU A 566 -6.923 34.534 22.257 1.00 0.00 H ATOM 280 N VAL A 567 -4.220 36.691 20.369 1.00 41.23 N ATOM 281 CA VAL A 567 -4.372 37.710 19.339 1.00 46.66 C ATOM 282 C VAL A 567 -4.307 37.005 17.991 1.00 47.58 C ATOM 283 O VAL A 567 -3.311 36.347 17.676 1.00 47.43 O ATOM 284 CB VAL A 567 -3.280 38.783 19.456 1.00 47.33 C ATOM 285 CG1 VAL A 567 -3.426 39.824 18.343 1.00 46.82 C ATOM 286 CG2 VAL A 567 -3.317 39.431 20.845 1.00 49.87 C ATOM 287 H VAL A 567 -3.273 36.517 20.762 1.00 0.00 H ATOM 288 N GLY A 568 -5.371 37.126 17.203 1.00 46.20 N ATOM 289 CA GLY A 568 -5.456 36.492 15.907 1.00 42.00 C ATOM 290 C GLY A 568 -5.197 37.460 14.772 1.00 44.06 C ATOM 291 O GLY A 568 -4.617 38.537 14.955 1.00 45.67 O ATOM 292 H GLY A 568 -6.174 37.699 17.532 1.00 0.00 H ATOM 293 N ASP A 569 -5.637 37.065 13.577 1.00 45.87 N ATOM 294 CA ASP A 569 -5.497 37.912 12.400 1.00 48.71 C ATOM 295 C ASP A 569 -6.130 39.276 12.645 1.00 49.89 C ATOM 296 O ASP A 569 -7.113 39.407 13.379 1.00 48.26 O ATOM 297 CB ASP A 569 -6.152 37.259 11.184 1.00 51.30 C ATOM 298 CG ASP A 569 -5.359 36.081 10.652 1.00 55.40 C ATOM 299 OD1 ASP A 569 -4.155 35.970 10.971 1.00 56.16 O ATOM 300 OD2 ASP A 569 -5.947 35.273 9.904 1.00 56.43 O ATOM 301 H ASP A 569 -6.089 36.133 13.483 1.00 0.00 H ATOM 302 N TYR A 570 -5.546 40.300 12.025 1.00 50.64 N ATOM 303 CA TYR A 570 -6.005 41.683 12.109 1.00 53.01 C ATOM 304 C TYR A 570 -6.039 42.211 13.541 1.00 52.88 C ATOM 305 O TYR A 570 -6.637 43.266 13.795 1.00 54.73 O ATOM 306 CB TYR A 570 -7.384 41.851 11.454 1.00 54.08 C ATOM 307 CG TYR A 570 -7.495 41.218 10.086 1.00 55.87 C ATOM 308 CD1 TYR A 570 -7.059 41.888 8.951 1.00 59.97 C ATOM 309 CD2 TYR A 570 -8.042 39.951 9.928 1.00 55.14 C ATOM 310 CE1 TYR A 570 -7.162 41.314 7.696 1.00 61.97 C ATOM 311 CE2 TYR A 570 -8.147 39.367 8.678 1.00 57.14 C ATOM 312 CZ TYR A 570 -7.706 40.054 7.566 1.00 61.83 C ATOM 313 OH TYR A 570 -7.808 39.479 6.320 1.00 63.57 O ATOM 314 HH TYR A 570 -7.448 40.102 5.640 1.00 0.00 H ATOM 315 H TYR A 570 -4.708 40.101 11.443 1.00 0.00 H ATOM 316 N GLY A 571 -5.413 41.511 14.484 1.00 50.99 N ATOM 317 CA GLY A 571 -5.425 41.928 15.870 1.00 53.24 C ATOM 318 C GLY A 571 -6.676 41.567 16.635 1.00 54.77 C ATOM 319 O GLY A 571 -6.833 42.011 17.779 1.00 55.49 O ATOM 320 H GLY A 571 -4.903 40.644 14.219 1.00 0.00 H ATOM 321 N GLN A 572 -7.575 40.782 16.047 1.00 49.01 N ATOM 322 CA GLN A 572 -8.799 40.398 16.737 1.00 55.26 C ATOM 323 C GLN A 572 -8.488 39.423 17.865 1.00 46.22 C ATOM 324 O GLN A 572 -7.729 38.467 17.682 1.00 44.54 O ATOM 325 CB GLN A 572 -9.785 39.770 15.754 1.00 55.90 C ATOM 326 H GLN A 572 -7.401 40.438 15.081 1.00 0.00 H ATOM 327 N LEU A 573 -9.069 39.669 19.037 1.00 46.49 N ATOM 328 CA LEU A 573 -8.935 38.741 20.151 1.00 44.76 C ATOM 329 C LEU A 573 -9.847 37.540 19.949 1.00 46.55 C ATOM 330 O LEU A 573 -11.004 37.684 19.543 1.00 48.06 O ATOM 331 CB LEU A 573 -9.267 39.432 21.475 1.00 45.99 C ATOM 332 CG LEU A 573 -8.180 40.345 22.039 1.00 48.87 C ATOM 333 CD1 LEU A 573 -8.682 41.108 23.260 1.00 50.70 C ATOM 334 CD2 LEU A 573 -6.945 39.529 22.388 1.00 48.63 C ATOM 335 H LEU A 573 -9.628 40.538 19.159 1.00 0.00 H ATOM 336 N HIS A 574 -9.317 36.351 20.235 1.00 42.32 N ATOM 337 CA HIS A 574 -10.067 35.111 20.112 1.00 47.66 C ATOM 338 C HIS A 574 -9.848 34.242 21.340 1.00 46.67 C ATOM 339 O HIS A 574 -8.775 34.248 21.947 1.00 45.66 O ATOM 340 CB HIS A 574 -9.657 34.296 18.872 1.00 52.76 C ATOM 341 CG HIS A 574 -9.987 34.954 17.570 1.00 61.95 C ATOM 342 ND1 HIS A 574 -9.017 35.389 16.694 1.00 64.62 N ATOM 343 CD2 HIS A 574 -11.176 35.239 16.988 1.00 65.57 C ATOM 344 CE1 HIS A 574 -9.593 35.923 15.632 1.00 66.63 C ATOM 345 NE2 HIS A 574 -10.903 35.845 15.786 1.00 67.04 N ATOM 346 H HIS A 574 -8.330 36.308 20.558 1.00 0.00 H ATOM 347 N GLU A 575 -10.878 33.488 21.692 1.00 52.63 N ATOM 348 CA GLU A 575 -10.749 32.367 22.614 1.00 53.57 C ATOM 349 C GLU A 575 -10.928 31.109 21.777 1.00 51.91 C ATOM 350 O GLU A 575 -12.047 30.773 21.375 1.00 57.59 O ATOM 351 CB GLU A 575 -11.754 32.460 23.758 1.00 56.89 C ATOM 352 CG GLU A 575 -11.548 33.703 24.615 1.00 63.50 C ATOM 353 CD GLU A 575 -12.010 33.530 26.050 1.00 71.71 C ATOM 354 OE1 GLU A 575 -12.276 32.383 26.465 1.00 73.37 O ATOM 355 OE2 GLU A 575 -12.100 34.551 26.764 1.00 76.00 O ATOM 356 H GLU A 575 -11.815 33.704 21.295 1.00 0.00 H ATOM 357 N THR A 576 -9.815 30.442 21.494 1.00 44.05 N ATOM 358 CA THR A 576 -9.747 29.341 20.547 1.00 39.65 C ATOM 359 C THR A 576 -9.757 28.007 21.279 1.00 40.14 C ATOM 360 O THR A 576 -9.032 27.826 22.259 1.00 40.23 O ATOM 361 CB THR A 576 -8.474 29.453 19.708 1.00 38.83 C ATOM 362 OG1 THR A 576 -8.395 30.765 19.127 1.00 42.61 O ATOM 363 CG2 THR A 576 -8.451 28.396 18.611 1.00 37.48 C ATOM 364 HG1 THR A 576 -7.570 30.835 18.584 1.00 0.00 H ATOM 365 H THR A 576 -8.939 30.724 21.979 1.00 0.00 H ATOM 366 N GLU A 577 -10.568 27.069 20.796 1.00 40.24 N ATOM 367 CA GLU A 577 -10.540 25.720 21.344 1.00 38.29 C ATOM 368 C GLU A 577 -9.220 25.045 20.999 1.00 38.51 C ATOM 369 O GLU A 577 -8.717 25.169 19.877 1.00 35.59 O ATOM 370 CB GLU A 577 -11.702 24.896 20.801 1.00 40.10 C ATOM 371 CG GLU A 577 -13.063 25.312 21.317 1.00 45.62 C ATOM 372 CD GLU A 577 -14.183 24.582 20.611 1.00 54.40 C ATOM 373 OE1 GLU A 577 -14.027 24.284 19.407 1.00 57.37 O ATOM 374 OE2 GLU A 577 -15.215 24.296 21.257 1.00 58.37 O ATOM 375 H GLU A 577 -11.225 27.300 20.024 1.00 0.00 H ATOM 376 N VAL A 578 -8.647 24.331 21.971 1.00 35.03 N ATOM 377 CA VAL A 578 -7.369 23.658 21.780 1.00 31.90 C ATOM 378 C VAL A 578 -7.399 22.288 22.441 1.00 33.33 C ATOM 379 O VAL A 578 -8.194 22.014 23.344 1.00 29.88 O ATOM 380 CB VAL A 578 -6.171 24.469 22.329 1.00 34.31 C ATOM 381 CG1 VAL A 578 -5.971 25.768 21.540 1.00 34.64 C ATOM 382 CG2 VAL A 578 -6.356 24.752 23.817 1.00 31.98 C ATOM 383 H VAL A 578 -9.127 24.253 22.891 1.00 0.00 H ATOM 384 N LEU A 579 -6.510 21.429 21.961 1.00 31.13 N ATOM 385 CA LEU A 579 -6.244 20.120 22.532 1.00 30.58 C ATOM 386 C LEU A 579 -4.974 20.221 23.363 1.00 34.67 C ATOM 387 O LEU A 579 -3.928 20.642 22.856 1.00 35.72 O ATOM 388 CB LEU A 579 -6.087 19.074 21.424 1.00 28.39 C ATOM 389 CG LEU A 579 -6.132 17.562 21.720 1.00 32.65 C ATOM 390 CD1 LEU A 579 -4.874 17.058 22.423 1.00 33.00 C ATOM 391 CD2 LEU A 579 -7.381 17.188 22.510 1.00 26.85 C ATOM 392 H LEU A 579 -5.967 21.711 21.120 1.00 0.00 H ATOM 393 N LEU A 580 -5.061 19.832 24.631 1.00 30.12 N ATOM 394 CA LEU A 580 -3.946 19.938 25.563 1.00 29.76 C ATOM 395 C LEU A 580 -3.492 18.536 25.944 1.00 32.33 C ATOM 396 O LEU A 580 -4.262 17.772 26.532 1.00 33.68 O ATOM 397 CB LEU A 580 -4.347 20.734 26.807 1.00 30.82 C ATOM 398 CG LEU A 580 -4.814 22.176 26.565 1.00 35.33 C ATOM 399 CD1 LEU A 580 -5.407 22.778 27.829 1.00 38.20 C ATOM 400 CD2 LEU A 580 -3.667 23.035 26.063 1.00 32.48 C ATOM 401 H LEU A 580 -5.961 19.436 24.971 1.00 0.00 H ATOM 402 N LYS A 581 -2.250 18.200 25.614 1.00 30.80 N ATOM 403 CA LYS A 581 -1.669 16.911 25.975 1.00 30.57 C ATOM 404 C LYS A 581 -0.629 17.129 27.066 1.00 34.71 C ATOM 405 O LYS A 581 0.284 17.939 26.899 1.00 39.01 O ATOM 406 CB LYS A 581 -1.045 16.229 24.752 1.00 28.36 C ATOM 407 H LYS A 581 -1.671 18.879 25.080 1.00 0.00 H ATOM 408 N VAL A 582 -0.770 16.419 28.182 1.00 31.60 N ATOM 409 CA VAL A 582 0.059 16.636 29.364 1.00 35.70 C ATOM 410 C VAL A 582 0.804 15.345 29.673 1.00 38.83 C ATOM 411 O VAL A 582 0.181 14.295 29.874 1.00 38.95 O ATOM 412 CB VAL A 582 -0.775 17.085 30.577 1.00 38.77 C ATOM 413 CG1 VAL A 582 0.132 17.446 31.742 1.00 40.75 C ATOM 414 CG2 VAL A 582 -1.654 18.265 30.214 1.00 37.83 C ATOM 415 H VAL A 582 -1.500 15.679 28.214 1.00 0.00 H ATOM 416 N LEU A 583 2.130 15.425 29.718 1.00 39.59 N ATOM 417 CA LEU A 583 2.936 14.280 30.121 1.00 42.97 C ATOM 418 C LEU A 583 2.797 14.055 31.622 1.00 45.52 C ATOM 419 O LEU A 583 2.898 15.000 32.410 1.00 47.95 O ATOM 420 CB LEU A 583 4.399 14.512 29.751 1.00 43.23 C ATOM 421 CG LEU A 583 5.411 13.406 30.051 1.00 44.73 C ATOM 422 CD1 LEU A 583 5.092 12.141 29.255 1.00 40.06 C ATOM 423 CD2 LEU A 583 6.814 13.893 29.733 1.00 47.91 C ATOM 424 H LEU A 583 2.599 16.317 29.462 1.00 0.00 H ATOM 425 N ASP A 584 2.548 12.808 32.017 1.00 47.02 N ATOM 426 CA ASP A 584 2.475 12.476 33.436 1.00 47.89 C ATOM 427 C ASP A 584 3.768 12.871 34.135 1.00 47.58 C ATOM 428 O ASP A 584 4.864 12.602 33.635 1.00 48.01 O ATOM 429 CB ASP A 584 2.213 10.981 33.623 1.00 49.45 C ATOM 430 CG ASP A 584 0.830 10.563 33.163 1.00 50.11 C ATOM 431 OD1 ASP A 584 -0.046 11.442 33.025 1.00 50.95 O ATOM 432 OD2 ASP A 584 0.618 9.351 32.948 1.00 51.30 O ATOM 433 H ASP A 584 2.404 12.062 31.306 1.00 0.00 H ATOM 434 N LYS A 585 3.638 13.525 35.292 1.00 52.14 N ATOM 435 CA LYS A 585 4.819 13.947 36.040 1.00 54.85 C ATOM 436 C LYS A 585 5.734 12.766 36.336 1.00 57.22 C ATOM 437 O LYS A 585 6.960 12.870 36.201 1.00 58.53 O ATOM 438 CB LYS A 585 4.401 14.640 37.338 1.00 54.78 C ATOM 439 H LYS A 585 2.689 13.735 35.663 1.00 0.00 H ATOM 440 N ALA A 586 5.150 11.622 36.704 1.00 58.64 N ATOM 441 CA ALA A 586 5.938 10.443 37.045 1.00 60.72 C ATOM 442 C ALA A 586 6.778 9.936 35.879 1.00 60.92 C ATOM 443 O ALA A 586 7.698 9.140 36.094 1.00 63.75 O ATOM 444 CB ALA A 586 5.019 9.327 37.544 1.00 60.53 C ATOM 445 H ALA A 586 4.112 11.571 36.748 1.00 0.00 H ATOM 446 N HIS A 587 6.483 10.369 34.654 1.00 57.62 N ATOM 447 CA HIS A 587 7.261 9.989 33.482 1.00 57.28 C ATOM 448 C HIS A 587 7.923 11.203 32.840 1.00 57.52 C ATOM 449 O HIS A 587 8.134 11.236 31.624 1.00 56.35 O ATOM 450 CB HIS A 587 6.388 9.250 32.469 1.00 54.03 C ATOM 451 CG HIS A 587 5.638 8.095 33.054 1.00 55.25 C ATOM 452 ND1 HIS A 587 4.313 8.177 33.424 1.00 55.26 N ATOM 453 CD2 HIS A 587 6.035 6.835 33.354 1.00 56.96 C ATOM 454 CE1 HIS A 587 3.922 7.014 33.916 1.00 55.49 C ATOM 455 NE2 HIS A 587 4.948 6.183 33.883 1.00 56.35 N ATOM 456 H HIS A 587 5.667 11.002 34.530 1.00 0.00 H ATOM 457 N ARG A 588 8.268 12.204 33.659 1.00 58.96 N ATOM 458 CA ARG A 588 8.927 13.403 33.146 1.00 58.38 C ATOM 459 C ARG A 588 10.191 13.072 32.362 1.00 61.52 C ATOM 460 O ARG A 588 10.604 13.849 31.492 1.00 61.74 O ATOM 461 CB ARG A 588 9.261 14.349 34.300 1.00 58.42 C ATOM 462 H ARG A 588 8.064 12.127 34.676 1.00 0.00 H ATOM 463 N ASN A 589 10.809 11.922 32.645 1.00 65.57 N ATOM 464 CA ASN A 589 12.026 11.524 31.947 1.00 69.09 C ATOM 465 C ASN A 589 11.810 11.339 30.449 1.00 64.65 C ATOM 466 O ASN A 589 12.773 11.445 29.681 1.00 64.98 O ATOM 467 CB ASN A 589 12.581 10.236 32.561 1.00 74.81 C ATOM 468 CG ASN A 589 11.584 9.093 32.527 1.00 78.54 C ATOM 469 OD1 ASN A 589 10.662 9.031 33.342 1.00 80.02 O ATOM 470 ND2 ASN A 589 11.770 8.174 31.586 1.00 80.23 N ATOM 471 HD22 ASN A 589 12.562 8.266 30.918 1.00 0.00 H ATOM 472 HD21 ASN A 589 11.124 7.362 31.517 1.00 0.00 H ATOM 473 H ASN A 589 10.414 11.298 33.378 1.00 0.00 H ATOM 474 N TYR A 590 10.578 11.073 30.013 1.00 59.88 N ATOM 475 CA TYR A 590 10.296 10.947 28.587 1.00 56.44 C ATOM 476 C TYR A 590 10.113 12.292 27.894 1.00 56.72 C ATOM 477 O TYR A 590 9.869 12.308 26.678 1.00 55.84 O ATOM 478 CB TYR A 590 9.043 10.096 28.366 1.00 52.71 C ATOM 479 CG TYR A 590 9.203 8.633 28.711 1.00 54.33 C ATOM 480 CD1 TYR A 590 9.614 7.714 27.754 1.00 54.30 C ATOM 481 CD2 TYR A 590 8.928 8.169 29.989 1.00 56.86 C ATOM 482 CE1 TYR A 590 9.755 6.376 28.064 1.00 57.07 C ATOM 483 CE2 TYR A 590 9.067 6.833 30.309 1.00 59.66 C ATOM 484 CZ TYR A 590 9.479 5.941 29.343 1.00 60.06 C ATOM 485 OH TYR A 590 9.617 4.610 29.657 1.00 62.97 O ATOM 486 HH TYR A 590 9.918 4.113 28.856 1.00 0.00 H ATOM 487 H TYR A 590 9.806 10.954 30.700 1.00 0.00 H ATOM 488 N SER A 591 10.251 13.404 28.629 1.00 56.75 N ATOM 489 CA SER A 591 9.889 14.722 28.107 1.00 55.29 C ATOM 490 C SER A 591 10.451 14.955 26.709 1.00 55.37 C ATOM 491 O SER A 591 9.703 15.265 25.774 1.00 57.36 O ATOM 492 CB SER A 591 10.364 15.812 29.072 1.00 56.20 C ATOM 493 OG SER A 591 11.775 15.813 29.202 1.00 59.14 O ATOM 494 HG SER A 591 12.047 16.528 29.831 1.00 0.00 H ATOM 495 H SER A 591 10.625 13.328 29.596 1.00 0.00 H ATOM 496 N GLU A 592 11.767 14.783 26.547 1.00 56.47 N ATOM 497 CA GLU A 592 12.402 14.962 25.242 1.00 58.02 C ATOM 498 C GLU A 592 11.642 14.220 24.149 1.00 55.32 C ATOM 499 O GLU A 592 11.132 14.836 23.204 1.00 54.42 O ATOM 500 CB GLU A 592 13.857 14.493 25.299 1.00 60.16 C ATOM 501 H GLU A 592 12.351 14.517 27.365 1.00 0.00 H ATOM 502 N SER A 593 11.526 12.894 24.284 1.00 52.83 N ATOM 503 CA SER A 593 10.806 12.118 23.279 1.00 49.91 C ATOM 504 C SER A 593 9.394 12.652 23.099 1.00 46.22 C ATOM 505 O SER A 593 8.925 12.824 21.966 1.00 45.97 O ATOM 506 CB SER A 593 10.777 10.642 23.670 1.00 50.42 C ATOM 507 OG SER A 593 10.296 9.848 22.599 1.00 51.07 O ATOM 508 HG SER A 593 10.286 8.897 22.874 1.00 0.00 H ATOM 509 H SER A 593 11.949 12.416 25.105 1.00 0.00 H ATOM 510 N PHE A 594 8.726 12.967 24.214 1.00 42.05 N ATOM 511 CA PHE A 594 7.383 13.532 24.178 1.00 39.00 C ATOM 512 C PHE A 594 7.315 14.728 23.237 1.00 40.31 C ATOM 513 O PHE A 594 6.416 14.823 22.395 1.00 37.54 O ATOM 514 CB PHE A 594 6.973 13.917 25.603 1.00 40.59 C ATOM 515 CG PHE A 594 5.687 14.691 25.700 1.00 41.01 C ATOM 516 CD1 PHE A 594 4.464 14.049 25.609 1.00 41.98 C ATOM 517 CD2 PHE A 594 5.704 16.055 25.941 1.00 41.09 C ATOM 518 CE1 PHE A 594 3.281 14.760 25.727 1.00 40.63 C ATOM 519 CE2 PHE A 594 4.525 16.771 26.058 1.00 41.10 C ATOM 520 CZ PHE A 594 3.312 16.121 25.952 1.00 39.09 C ATOM 521 H PHE A 594 9.179 12.804 25.136 1.00 0.00 H ATOM 522 N PHE A 595 8.284 15.637 23.340 1.00 45.24 N ATOM 523 CA PHE A 595 8.256 16.793 22.456 1.00 47.53 C ATOM 524 C PHE A 595 8.778 16.447 21.069 1.00 48.83 C ATOM 525 O PHE A 595 8.278 16.989 20.074 1.00 46.59 O ATOM 526 CB PHE A 595 9.040 17.949 23.077 1.00 49.25 C ATOM 527 CG PHE A 595 8.332 18.591 24.239 1.00 48.14 C ATOM 528 CD1 PHE A 595 7.104 19.208 24.057 1.00 45.65 C ATOM 529 CD2 PHE A 595 8.880 18.566 25.511 1.00 49.58 C ATOM 530 CE1 PHE A 595 6.439 19.794 25.116 1.00 45.14 C ATOM 531 CE2 PHE A 595 8.218 19.154 26.579 1.00 49.39 C ATOM 532 CZ PHE A 595 6.996 19.769 26.378 1.00 46.55 C ATOM 533 H PHE A 595 9.046 15.523 24.039 1.00 0.00 H ATOM 534 N GLU A 596 9.734 15.514 20.983 1.00 53.32 N ATOM 535 CA GLU A 596 10.271 15.124 19.683 1.00 55.49 C ATOM 536 C GLU A 596 9.158 14.703 18.737 1.00 53.32 C ATOM 537 O GLU A 596 9.087 15.183 17.599 1.00 53.52 O ATOM 538 CB GLU A 596 11.289 13.996 19.845 1.00 60.39 C ATOM 539 CG GLU A 596 12.685 14.355 19.370 1.00 69.51 C ATOM 540 CD GLU A 596 12.674 15.094 18.044 1.00 75.97 C ATOM 541 OE1 GLU A 596 12.853 16.332 18.046 1.00 79.14 O ATOM 542 OE2 GLU A 596 12.474 14.439 16.999 1.00 78.03 O ATOM 543 H GLU A 596 10.096 15.064 21.848 1.00 0.00 H ATOM 544 N ALA A 597 8.269 13.820 19.202 1.00 51.69 N ATOM 545 CA ALA A 597 7.111 13.424 18.408 1.00 50.26 C ATOM 546 C ALA A 597 6.411 14.641 17.822 1.00 50.00 C ATOM 547 O ALA A 597 6.242 14.747 16.601 1.00 51.41 O ATOM 548 CB ALA A 597 6.141 12.611 19.264 1.00 48.48 C ATOM 549 H ALA A 597 8.405 13.408 20.147 1.00 0.00 H ATOM 550 N ALA A 598 6.040 15.595 18.682 1.00 49.22 N ATOM 551 CA ALA A 598 5.338 16.776 18.196 1.00 47.88 C ATOM 552 C ALA A 598 6.179 17.530 17.182 1.00 51.33 C ATOM 553 O ALA A 598 5.663 17.980 16.150 1.00 53.16 O ATOM 554 CB ALA A 598 4.968 17.686 19.361 1.00 49.00 C ATOM 555 H ALA A 598 6.252 15.495 19.695 1.00 0.00 H ATOM 556 N SER A 599 7.484 17.655 17.449 1.00 53.43 N ATOM 557 CA SER A 599 8.373 18.322 16.507 1.00 56.63 C ATOM 558 C SER A 599 8.226 17.734 15.113 1.00 59.35 C ATOM 559 O SER A 599 8.157 18.474 14.124 1.00 59.36 O ATOM 560 CB SER A 599 9.820 18.214 16.984 1.00 61.19 C ATOM 561 OG SER A 599 10.052 19.063 18.093 1.00 65.51 O ATOM 562 HG SER A 599 9.451 18.804 18.836 1.00 0.00 H ATOM 563 H SER A 599 7.867 17.273 18.337 1.00 0.00 H ATOM 564 N MET A 600 8.121 16.404 15.024 1.00 63.48 N ATOM 565 CA MET A 600 8.017 15.753 13.722 1.00 66.96 C ATOM 566 C MET A 600 6.846 16.304 12.921 1.00 68.43 C ATOM 567 O MET A 600 6.966 16.541 11.713 1.00 71.56 O ATOM 568 CB MET A 600 7.877 14.242 13.901 1.00 65.72 C ATOM 569 H MET A 600 8.113 15.828 15.890 1.00 0.00 H ATOM 570 N MET A 601 5.710 16.537 13.581 1.00 65.25 N ATOM 571 CA MET A 601 4.534 17.005 12.862 1.00 64.07 C ATOM 572 C MET A 601 4.655 18.461 12.442 1.00 61.06 C ATOM 573 O MET A 601 3.996 18.870 11.481 1.00 61.22 O ATOM 574 CB MET A 601 3.287 16.809 13.720 1.00 64.11 C ATOM 575 CG MET A 601 3.134 15.396 14.228 1.00 65.29 C ATOM 576 SD MET A 601 2.598 14.238 12.960 1.00 68.46 S ATOM 577 CE MET A 601 0.921 14.811 12.701 1.00 69.46 C ATOM 578 H MET A 601 5.665 16.384 14.609 1.00 0.00 H ATOM 579 N SER A 602 5.489 19.245 13.125 1.00 58.29 N ATOM 580 CA SER A 602 5.603 20.665 12.825 1.00 56.64 C ATOM 581 C SER A 602 6.725 20.989 11.852 1.00 58.20 C ATOM 582 O SER A 602 6.815 22.133 11.401 1.00 60.83 O ATOM 583 CB SER A 602 5.804 21.465 14.112 1.00 55.27 C ATOM 584 OG SER A 602 4.617 21.472 14.880 1.00 53.63 O ATOM 585 HG SER A 602 3.887 21.885 14.354 1.00 0.00 H ATOM 586 H SER A 602 6.068 18.835 13.885 1.00 0.00 H ATOM 587 N LYS A 603 7.586 20.022 11.529 1.00 61.37 N ATOM 588 CA LYS A 603 8.608 20.259 10.516 1.00 63.75 C ATOM 589 C LYS A 603 7.976 20.539 9.157 1.00 61.77 C ATOM 590 O LYS A 603 8.481 21.362 8.386 1.00 63.35 O ATOM 591 CB LYS A 603 9.554 19.060 10.432 1.00 64.62 C ATOM 592 H LYS A 603 7.528 19.097 12.001 1.00 0.00 H ATOM 593 N LEU A 604 6.864 19.875 8.854 1.00 56.59 N ATOM 594 CA LEU A 604 6.178 20.019 7.582 1.00 54.67 C ATOM 595 C LEU A 604 4.767 20.547 7.802 1.00 49.30 C ATOM 596 O LEU A 604 4.235 20.517 8.914 1.00 49.95 O ATOM 597 CB LEU A 604 6.122 18.682 6.835 1.00 56.52 C ATOM 598 CG LEU A 604 7.439 17.906 6.802 1.00 59.97 C ATOM 599 CD1 LEU A 604 7.250 16.572 6.100 1.00 60.60 C ATOM 600 CD2 LEU A 604 8.536 18.725 6.131 1.00 63.57 C ATOM 601 H LEU A 604 6.468 19.223 9.560 1.00 0.00 H ATOM 602 N SER A 605 4.170 21.039 6.722 1.00 46.97 N ATOM 603 CA SER A 605 2.804 21.545 6.721 1.00 44.68 C ATOM 604 C SER A 605 2.008 20.788 5.668 1.00 39.46 C ATOM 605 O SER A 605 2.458 20.655 4.526 1.00 39.82 O ATOM 606 CB SER A 605 2.775 23.051 6.439 1.00 53.66 C ATOM 607 OG SER A 605 1.446 23.534 6.341 1.00 57.47 O ATOM 608 HG SER A 605 1.462 24.507 6.159 1.00 0.00 H ATOM 609 H SER A 605 4.706 21.064 5.831 1.00 0.00 H ATOM 610 N HIS A 606 0.835 20.290 6.050 1.00 37.45 N ATOM 611 CA HIS A 606 0.021 19.506 5.132 1.00 35.71 C ATOM 612 C HIS A 606 -1.422 19.513 5.614 1.00 37.33 C ATOM 613 O HIS A 606 -1.686 19.562 6.819 1.00 36.93 O ATOM 614 CB HIS A 606 0.538 18.066 5.013 1.00 34.34 C ATOM 615 CG HIS A 606 -0.069 17.303 3.878 1.00 30.93 C ATOM 616 ND1 HIS A 606 -1.252 16.609 4.000 1.00 29.56 N ATOM 617 CD2 HIS A 606 0.332 17.140 2.595 1.00 33.03 C ATOM 618 CE1 HIS A 606 -1.550 16.044 2.845 1.00 29.34 C ATOM 619 NE2 HIS A 606 -0.606 16.353 1.974 1.00 32.54 N ATOM 620 H HIS A 606 0.495 20.463 7.017 1.00 0.00 H ATOM 621 N LYS A 607 -2.353 19.441 4.658 1.00 30.67 N ATOM 622 CA LYS A 607 -3.772 19.528 4.987 1.00 33.92 C ATOM 623 C LYS A 607 -4.261 18.358 5.832 1.00 33.49 C ATOM 624 O LYS A 607 -5.302 18.483 6.487 1.00 34.56 O ATOM 625 CB LYS A 607 -4.607 19.619 3.710 1.00 33.71 C ATOM 626 CG LYS A 607 -4.615 18.348 2.852 1.00 31.01 C ATOM 627 CD LYS A 607 -5.473 18.546 1.606 1.00 34.19 C ATOM 628 CE LYS A 607 -5.487 17.308 0.704 1.00 34.22 C ATOM 629 NZ LYS A 607 -6.002 17.653 -0.663 1.00 35.60 N ATOM 630 HZ1 LYS A 607 -6.971 18.023 -0.584 1.00 0.00 H ATOM 631 HZ2 LYS A 607 -5.388 18.375 -1.091 1.00 0.00 H ATOM 632 HZ3 LYS A 607 -6.003 16.800 -1.257 1.00 0.00 H ATOM 633 H LYS A 607 -2.062 19.321 3.667 1.00 0.00 H ATOM 634 N HIS A 608 -3.545 17.232 5.845 1.00 31.82 N ATOM 635 CA HIS A 608 -3.965 16.058 6.603 1.00 28.90 C ATOM 636 C HIS A 608 -3.147 15.826 7.870 1.00 29.37 C ATOM 637 O HIS A 608 -3.241 14.748 8.465 1.00 28.13 O ATOM 638 CB HIS A 608 -3.915 14.809 5.719 1.00 28.06 C ATOM 639 CG HIS A 608 -5.027 14.736 4.722 1.00 28.81 C ATOM 640 ND1 HIS A 608 -6.344 14.961 5.060 1.00 28.37 N ATOM 641 CD2 HIS A 608 -5.020 14.463 3.395 1.00 30.27 C ATOM 642 CE1 HIS A 608 -7.100 14.838 3.984 1.00 31.00 C ATOM 643 NE2 HIS A 608 -6.322 14.536 2.960 1.00 30.78 N ATOM 644 H HIS A 608 -2.661 17.190 5.299 1.00 0.00 H ATOM 645 N LEU A 609 -2.362 16.803 8.308 1.00 30.20 N ATOM 646 CA LEU A 609 -1.612 16.700 9.554 1.00 28.56 C ATOM 647 C LEU A 609 -2.178 17.694 10.560 1.00 27.19 C ATOM 648 O LEU A 609 -2.395 18.861 10.225 1.00 26.93 O ATOM 649 CB LEU A 609 -0.123 16.963 9.318 1.00 30.13 C ATOM 650 CG LEU A 609 0.563 16.008 8.339 1.00 28.60 C ATOM 651 CD1 LEU A 609 2.005 16.454 8.069 1.00 28.90 C ATOM 652 CD2 LEU A 609 0.503 14.564 8.866 1.00 29.37 C ATOM 653 H LEU A 609 -2.279 17.672 7.743 1.00 0.00 H ATOM 654 N VAL A 610 -2.436 17.227 11.787 1.00 23.85 N ATOM 655 CA VAL A 610 -2.978 18.114 12.812 1.00 26.46 C ATOM 656 C VAL A 610 -1.973 19.216 13.130 1.00 29.77 C ATOM 657 O VAL A 610 -0.756 18.993 13.151 1.00 32.95 O ATOM 658 CB VAL A 610 -3.347 17.307 14.069 1.00 33.03 C ATOM 659 CG1 VAL A 610 -2.136 16.591 14.582 1.00 37.41 C ATOM 660 CG2 VAL A 610 -3.909 18.212 15.159 1.00 30.91 C ATOM 661 H VAL A 610 -2.250 16.229 12.011 1.00 0.00 H ATOM 662 N LEU A 611 -2.482 20.423 13.363 1.00 31.28 N ATOM 663 CA LEU A 611 -1.628 21.565 13.662 1.00 34.28 C ATOM 664 C LEU A 611 -1.169 21.548 15.115 1.00 35.08 C ATOM 665 O LEU A 611 -1.933 21.203 16.024 1.00 33.07 O ATOM 666 CB LEU A 611 -2.365 22.870 13.377 1.00 38.75 C ATOM 667 CG LEU A 611 -2.554 23.219 11.905 1.00 44.30 C ATOM 668 CD1 LEU A 611 -3.457 24.437 11.767 1.00 48.70 C ATOM 669 CD2 LEU A 611 -1.198 23.468 11.248 1.00 45.56 C ATOM 670 H LEU A 611 -3.513 20.554 13.331 1.00 0.00 H ATOM 671 N ASN A 612 0.098 21.898 15.323 1.00 34.20 N ATOM 672 CA ASN A 612 0.635 22.153 16.651 1.00 40.03 C ATOM 673 C ASN A 612 0.667 23.657 16.869 1.00 39.84 C ATOM 674 O ASN A 612 1.247 24.390 16.062 1.00 40.19 O ATOM 675 CB ASN A 612 2.038 21.564 16.812 1.00 45.33 C ATOM 676 CG ASN A 612 2.033 20.054 16.906 1.00 46.44 C ATOM 677 OD1 ASN A 612 1.124 19.461 17.481 1.00 45.04 O ATOM 678 ND2 ASN A 612 3.054 19.422 16.336 1.00 48.75 N ATOM 679 HD22 ASN A 612 3.802 19.966 15.860 1.00 0.00 H ATOM 680 HD21 ASN A 612 3.105 18.384 16.366 1.00 0.00 H ATOM 681 H ASN A 612 0.730 21.993 14.503 1.00 0.00 H ATOM 682 N TYR A 613 0.022 24.115 17.940 1.00 41.28 N ATOM 683 CA TYR A 613 0.033 25.533 18.280 1.00 46.85 C ATOM 684 C TYR A 613 1.252 25.927 19.093 1.00 51.13 C ATOM 685 O TYR A 613 1.693 27.081 19.018 1.00 55.96 O ATOM 686 CB TYR A 613 -1.226 25.906 19.065 1.00 49.89 C ATOM 687 CG TYR A 613 -2.500 25.795 18.272 1.00 54.81 C ATOM 688 CD1 TYR A 613 -2.536 26.138 16.928 1.00 59.85 C ATOM 689 CD2 TYR A 613 -3.668 25.337 18.864 1.00 55.23 C ATOM 690 CE1 TYR A 613 -3.702 26.036 16.197 1.00 60.87 C ATOM 691 CE2 TYR A 613 -4.837 25.234 18.145 1.00 57.37 C ATOM 692 CZ TYR A 613 -4.850 25.582 16.811 1.00 59.02 C ATOM 693 OH TYR A 613 -6.018 25.477 16.094 1.00 58.22 O ATOM 694 HH TYR A 613 -6.326 24.536 16.104 1.00 0.00 H ATOM 695 H TYR A 613 -0.499 23.449 18.545 1.00 0.00 H ATOM 696 N GLY A 614 1.796 25.007 19.878 1.00 49.58 N ATOM 697 CA GLY A 614 2.992 25.316 20.639 1.00 48.98 C ATOM 698 C GLY A 614 3.102 24.404 21.848 1.00 46.28 C ATOM 699 O GLY A 614 2.486 23.345 21.899 1.00 41.29 O ATOM 700 H GLY A 614 1.365 24.063 19.948 1.00 0.00 H ATOM 701 N VAL A 615 3.913 24.840 22.809 1.00 48.11 N ATOM 702 CA VAL A 615 4.108 24.096 24.044 1.00 50.71 C ATOM 703 C VAL A 615 4.003 25.052 25.222 1.00 56.54 C ATOM 704 O VAL A 615 4.339 26.237 25.124 1.00 60.14 O ATOM 705 CB VAL A 615 5.465 23.351 24.077 1.00 53.27 C ATOM 706 CG1 VAL A 615 5.619 22.443 22.854 1.00 46.70 C ATOM 707 CG2 VAL A 615 6.617 24.337 24.172 1.00 52.26 C ATOM 708 H VAL A 615 4.421 25.737 22.673 1.00 0.00 H ATOM 709 N CYS A 616 3.513 24.528 26.341 1.00 58.23 N ATOM 710 CA CYS A 616 3.603 25.200 27.631 1.00 64.81 C ATOM 711 C CYS A 616 4.488 24.337 28.518 1.00 68.96 C ATOM 712 O CYS A 616 4.092 23.237 28.922 1.00 65.82 O ATOM 713 CB CYS A 616 2.230 25.417 28.260 1.00 66.48 C ATOM 714 SG CYS A 616 2.307 26.213 29.885 1.00 73.40 S ATOM 715 H CYS A 616 3.046 23.600 26.294 1.00 0.00 H ATOM 716 N VAL A 617 5.695 24.821 28.784 1.00 74.46 N ATOM 717 CA VAL A 617 6.633 24.158 29.675 1.00 79.05 C ATOM 718 C VAL A 617 6.787 24.950 30.975 1.00 87.05 C ATOM 719 O VAL A 617 7.787 24.822 31.679 1.00 89.61 O ATOM 720 CB VAL A 617 7.980 23.913 28.967 1.00 77.31 C ATOM 721 CG1 VAL A 617 8.732 25.219 28.734 1.00 77.99 C ATOM 722 CG2 VAL A 617 8.832 22.876 29.708 1.00 78.41 C ATOM 723 H VAL A 617 5.982 25.714 28.335 1.00 0.00 H ATOM 724 N CYS A 618 5.788 25.769 31.302 1.00 93.10 N ATOM 725 CA CYS A 618 5.795 26.499 32.561 1.00 98.49 C ATOM 726 C CYS A 618 5.744 25.528 33.733 1.00 96.90 C ATOM 727 O CYS A 618 4.928 24.601 33.753 1.00 91.90 O ATOM 728 CB CYS A 618 4.610 27.463 32.621 1.00100.68 C ATOM 729 SG CYS A 618 4.631 28.772 31.374 1.00103.53 S ATOM 730 H CYS A 618 4.990 25.889 30.646 1.00 0.00 H ATOM 731 N GLY A 619 6.625 25.741 34.708 1.00 99.91 N ATOM 732 CA GLY A 619 6.627 24.905 35.890 1.00100.39 C ATOM 733 C GLY A 619 7.176 23.515 35.612 1.00 94.90 C ATOM 734 O GLY A 619 8.030 23.309 34.744 1.00 93.20 O ATOM 735 H GLY A 619 7.316 26.513 34.620 1.00 0.00 H ATOM 736 N ASP A 620 6.669 22.545 36.368 1.00 93.78 N ATOM 737 CA ASP A 620 7.098 21.158 36.251 1.00 92.03 C ATOM 738 C ASP A 620 6.274 20.360 35.249 1.00 83.53 C ATOM 739 O ASP A 620 6.526 19.163 35.078 1.00 83.02 O ATOM 740 CB ASP A 620 7.044 20.474 37.622 1.00 97.05 C ATOM 741 CG ASP A 620 5.693 20.620 38.295 1.00 97.23 C ATOM 742 OD1 ASP A 620 4.833 21.346 37.754 1.00 95.45 O ATOM 743 OD2 ASP A 620 5.492 20.007 39.364 1.00 99.83 O ATOM 744 H ASP A 620 5.939 22.786 37.069 1.00 0.00 H ATOM 745 N GLU A 621 5.306 20.984 34.587 1.00 76.59 N ATOM 746 CA GLU A 621 4.468 20.302 33.614 1.00 69.35 C ATOM 747 C GLU A 621 5.035 20.471 32.211 1.00 61.66 C ATOM 748 O GLU A 621 5.681 21.472 31.894 1.00 63.13 O ATOM 749 CB GLU A 621 3.033 20.830 33.649 1.00 71.90 C ATOM 750 CG GLU A 621 2.427 20.916 35.036 1.00 78.64 C ATOM 751 CD GLU A 621 0.911 20.874 35.005 1.00 80.18 C ATOM 752 OE1 GLU A 621 0.354 19.820 34.627 1.00 78.62 O ATOM 753 OE2 GLU A 621 0.275 21.895 35.345 1.00 82.53 O ATOM 754 H GLU A 621 5.142 21.994 34.771 1.00 0.00 H ATOM 755 N ASN A 622 4.790 19.470 31.374 1.00 55.46 N ATOM 756 CA ASN A 622 5.121 19.521 29.957 1.00 52.94 C ATOM 757 C ASN A 622 3.817 19.388 29.188 1.00 51.81 C ATOM 758 O ASN A 622 3.132 18.367 29.302 1.00 52.23 O ATOM 759 CB ASN A 622 6.101 18.411 29.575 1.00 51.81 C ATOM 760 CG ASN A 622 7.392 18.476 30.365 1.00 56.44 C ATOM 761 OD1 ASN A 622 7.552 17.788 31.372 1.00 59.32 O ATOM 762 ND2 ASN A 622 8.323 19.304 29.910 1.00 59.59 N ATOM 763 HD22 ASN A 622 8.145 19.867 29.054 1.00 0.00 H ATOM 764 HD21 ASN A 622 9.231 19.390 30.409 1.00 0.00 H ATOM 765 H ASN A 622 4.341 18.610 31.748 1.00 0.00 H ATOM 766 N ILE A 623 3.463 20.423 28.429 1.00 46.64 N ATOM 767 CA ILE A 623 2.159 20.492 27.781 1.00 44.93 C ATOM 768 C ILE A 623 2.338 20.762 26.295 1.00 44.71 C ATOM 769 O ILE A 623 3.039 21.701 25.906 1.00 49.45 O ATOM 770 CB ILE A 623 1.262 21.571 28.415 1.00 48.30 C ATOM 771 CG1 ILE A 623 0.957 21.218 29.872 1.00 48.82 C ATOM 772 CG2 ILE A 623 -0.027 21.720 27.619 1.00 45.78 C ATOM 773 CD1 ILE A 623 0.336 22.347 30.649 1.00 53.16 C ATOM 774 H ILE A 623 4.136 21.204 28.295 1.00 0.00 H ATOM 775 N LEU A 624 1.699 19.930 25.478 1.00 39.62 N ATOM 776 CA LEU A 624 1.555 20.120 24.044 1.00 40.04 C ATOM 777 C LEU A 624 0.224 20.808 23.771 1.00 39.25 C ATOM 778 O LEU A 624 -0.817 20.371 24.274 1.00 37.28 O ATOM 779 CB LEU A 624 1.599 18.768 23.330 1.00 40.13 C ATOM 780 CG LEU A 624 2.502 18.551 22.128 1.00 48.68 C ATOM 781 CD1 LEU A 624 3.768 19.380 22.247 1.00 54.04 C ATOM 782 CD2 LEU A 624 2.830 17.066 22.032 1.00 50.98 C ATOM 783 H LEU A 624 1.270 19.080 25.896 1.00 0.00 H ATOM 784 N VAL A 625 0.257 21.869 22.969 1.00 40.21 N ATOM 785 CA VAL A 625 -0.927 22.649 22.624 1.00 39.40 C ATOM 786 C VAL A 625 -1.170 22.495 21.131 1.00 38.35 C ATOM 787 O VAL A 625 -0.367 22.974 20.313 1.00 35.40 O ATOM 788 CB VAL A 625 -0.768 24.130 23.000 1.00 40.48 C ATOM 789 CG1 VAL A 625 -2.068 24.878 22.766 1.00 41.72 C ATOM 790 CG2 VAL A 625 -0.329 24.265 24.451 1.00 42.01 C ATOM 791 H VAL A 625 1.172 22.157 22.568 1.00 0.00 H ATOM 792 N GLN A 626 -2.286 21.853 20.779 1.00 35.20 N ATOM 793 CA GLN A 626 -2.564 21.451 19.408 1.00 36.99 C ATOM 794 C GLN A 626 -3.974 21.859 18.997 1.00 38.32 C ATOM 795 O GLN A 626 -4.802 22.255 19.823 1.00 35.30 O ATOM 796 CB GLN A 626 -2.400 19.936 19.235 1.00 37.31 C ATOM 797 CG GLN A 626 -1.077 19.404 19.746 1.00 43.82 C ATOM 798 CD GLN A 626 -0.916 17.920 19.496 1.00 47.87 C ATOM 799 OE1 GLN A 626 -1.790 17.125 19.840 1.00 48.42 O ATOM 800 NE2 GLN A 626 0.199 17.540 18.883 1.00 49.63 N ATOM 801 HE22 GLN A 626 0.910 18.248 18.611 1.00 0.00 H ATOM 802 HE21 GLN A 626 0.361 16.534 18.675 1.00 0.00 H ATOM 803 H GLN A 626 -2.986 21.631 21.515 1.00 0.00 H ATOM 804 N GLU A 627 -4.229 21.749 17.694 1.00 36.60 N ATOM 805 CA GLU A 627 -5.544 22.025 17.127 1.00 37.74 C ATOM 806 C GLU A 627 -6.587 21.056 17.674 1.00 37.02 C ATOM 807 O GLU A 627 -6.330 19.860 17.823 1.00 34.33 O ATOM 808 CB GLU A 627 -5.458 21.926 15.597 1.00 42.44 C ATOM 809 CG GLU A 627 -6.728 21.505 14.877 1.00 44.71 C ATOM 810 CD GLU A 627 -6.510 21.310 13.377 1.00 44.26 C ATOM 811 OE1 GLU A 627 -5.359 21.040 12.959 1.00 41.57 O ATOM 812 OE2 GLU A 627 -7.492 21.430 12.616 1.00 44.40 O ATOM 813 H GLU A 627 -3.461 21.455 17.057 1.00 0.00 H ATOM 814 N PHE A 628 -7.773 21.581 17.979 1.00 38.79 N ATOM 815 CA PHE A 628 -8.881 20.759 18.460 1.00 39.65 C ATOM 816 C PHE A 628 -9.747 20.356 17.271 1.00 40.46 C ATOM 817 O PHE A 628 -10.416 21.202 16.666 1.00 45.87 O ATOM 818 CB PHE A 628 -9.706 21.505 19.508 1.00 40.11 C ATOM 819 CG PHE A 628 -10.820 20.684 20.093 1.00 37.45 C ATOM 820 CD1 PHE A 628 -10.558 19.748 21.080 1.00 35.63 C ATOM 821 CD2 PHE A 628 -12.127 20.845 19.658 1.00 38.58 C ATOM 822 CE1 PHE A 628 -11.579 18.980 21.622 1.00 37.27 C ATOM 823 CE2 PHE A 628 -13.154 20.083 20.199 1.00 41.41 C ATOM 824 CZ PHE A 628 -12.879 19.149 21.183 1.00 39.85 C ATOM 825 H PHE A 628 -7.914 22.606 17.872 1.00 0.00 H ATOM 826 N VAL A 629 -9.737 19.069 16.941 1.00 37.69 N ATOM 827 CA VAL A 629 -10.494 18.541 15.812 1.00 35.58 C ATOM 828 C VAL A 629 -11.880 18.153 16.306 1.00 37.34 C ATOM 829 O VAL A 629 -12.014 17.295 17.185 1.00 41.96 O ATOM 830 CB VAL A 629 -9.773 17.345 15.177 1.00 36.10 C ATOM 831 CG1 VAL A 629 -10.516 16.867 13.943 1.00 36.75 C ATOM 832 CG2 VAL A 629 -8.338 17.718 14.835 1.00 37.56 C ATOM 833 H VAL A 629 -9.167 18.412 17.511 1.00 0.00 H ATOM 834 N LYS A 630 -12.912 18.757 15.711 1.00 33.03 N ATOM 835 CA LYS A 630 -14.246 18.772 16.309 1.00 33.93 C ATOM 836 C LYS A 630 -14.746 17.378 16.690 1.00 34.68 C ATOM 837 O LYS A 630 -15.183 17.155 17.821 1.00 36.54 O ATOM 838 CB LYS A 630 -15.230 19.441 15.351 1.00 36.39 C ATOM 839 CG LYS A 630 -16.657 19.476 15.856 1.00 40.78 C ATOM 840 CD LYS A 630 -17.462 20.541 15.130 1.00 47.45 C ATOM 841 CE LYS A 630 -18.911 20.537 15.578 1.00 54.19 C ATOM 842 NZ LYS A 630 -19.703 21.598 14.888 1.00 61.85 N ATOM 843 HZ1 LYS A 630 -19.295 22.530 15.104 1.00 0.00 H ATOM 844 HZ2 LYS A 630 -19.676 21.436 13.861 1.00 0.00 H ATOM 845 HZ3 LYS A 630 -20.688 21.564 15.220 1.00 0.00 H ATOM 846 H LYS A 630 -12.762 19.230 14.797 1.00 0.00 H ATOM 847 N PHE A 631 -14.703 16.428 15.759 1.00 32.86 N ATOM 848 CA PHE A 631 -15.383 15.153 15.958 1.00 36.48 C ATOM 849 C PHE A 631 -14.490 14.070 16.556 1.00 35.49 C ATOM 850 O PHE A 631 -14.945 12.934 16.723 1.00 38.14 O ATOM 851 CB PHE A 631 -15.990 14.678 14.636 1.00 35.38 C ATOM 852 CG PHE A 631 -17.020 15.621 14.084 1.00 38.80 C ATOM 853 CD1 PHE A 631 -18.336 15.552 14.509 1.00 41.95 C ATOM 854 CD2 PHE A 631 -16.670 16.590 13.157 1.00 40.72 C ATOM 855 CE1 PHE A 631 -19.289 16.426 14.013 1.00 46.52 C ATOM 856 CE2 PHE A 631 -17.617 17.464 12.656 1.00 45.04 C ATOM 857 CZ PHE A 631 -18.927 17.383 13.086 1.00 48.74 C ATOM 858 H PHE A 631 -14.177 16.597 14.878 1.00 0.00 H ATOM 859 N GLY A 632 -13.242 14.387 16.883 1.00 28.22 N ATOM 860 CA GLY A 632 -12.440 13.441 17.637 1.00 33.24 C ATOM 861 C GLY A 632 -11.919 12.235 16.865 1.00 34.45 C ATOM 862 O GLY A 632 -11.903 12.184 15.631 1.00 33.90 O ATOM 863 H GLY A 632 -12.843 15.305 16.601 1.00 0.00 H ATOM 864 N SER A 633 -11.486 11.244 17.643 1.00 31.27 N ATOM 865 CA SER A 633 -10.779 10.096 17.096 1.00 32.58 C ATOM 866 C SER A 633 -11.686 9.267 16.196 1.00 33.04 C ATOM 867 O SER A 633 -12.897 9.167 16.419 1.00 32.08 O ATOM 868 CB SER A 633 -10.227 9.227 18.230 1.00 35.35 C ATOM 869 OG SER A 633 -9.052 9.804 18.771 1.00 37.01 O ATOM 870 HG SER A 633 -8.366 9.881 18.061 1.00 0.00 H ATOM 871 H SER A 633 -11.658 11.292 18.668 1.00 0.00 H ATOM 872 N LEU A 634 -11.079 8.645 15.182 1.00 28.64 N ATOM 873 CA LEU A 634 -11.861 7.901 14.204 1.00 30.85 C ATOM 874 C LEU A 634 -12.389 6.590 14.778 1.00 32.83 C ATOM 875 O LEU A 634 -13.468 6.137 14.390 1.00 37.27 O ATOM 876 CB LEU A 634 -11.026 7.630 12.953 1.00 30.84 C ATOM 877 CG LEU A 634 -11.881 7.361 11.716 1.00 36.24 C ATOM 878 CD1 LEU A 634 -12.601 8.645 11.298 1.00 41.59 C ATOM 879 CD2 LEU A 634 -11.042 6.801 10.572 1.00 33.15 C ATOM 880 H LEU A 634 -10.044 8.692 15.090 1.00 0.00 H ATOM 881 N ASP A 635 -11.650 5.949 15.686 1.00 32.09 N ATOM 882 CA ASP A 635 -12.115 4.657 16.189 1.00 38.46 C ATOM 883 C ASP A 635 -13.387 4.815 17.018 1.00 38.59 C ATOM 884 O ASP A 635 -14.335 4.031 16.870 1.00 37.13 O ATOM 885 CB ASP A 635 -11.011 3.956 16.990 1.00 42.18 C ATOM 886 CG ASP A 635 -10.634 4.694 18.254 1.00 48.66 C ATOM 887 OD1 ASP A 635 -10.609 5.939 18.238 1.00 48.41 O ATOM 888 OD2 ASP A 635 -10.365 4.022 19.277 1.00 54.16 O ATOM 889 H ASP A 635 -10.759 6.361 16.030 1.00 0.00 H ATOM 890 N THR A 636 -13.433 5.832 17.883 1.00 30.23 N ATOM 891 CA THR A 636 -14.663 6.135 18.608 1.00 41.45 C ATOM 892 C THR A 636 -15.796 6.453 17.641 1.00 41.07 C ATOM 893 O THR A 636 -16.910 5.927 17.769 1.00 36.53 O ATOM 894 CB THR A 636 -14.432 7.307 19.565 1.00 42.82 C ATOM 895 OG1 THR A 636 -13.286 7.044 20.386 1.00 43.48 O ATOM 896 CG2 THR A 636 -15.648 7.513 20.457 1.00 46.00 C ATOM 897 HG1 THR A 636 -13.142 7.805 21.003 1.00 0.00 H ATOM 898 H THR A 636 -12.585 6.413 18.041 1.00 0.00 H ATOM 899 N TYR A 637 -15.518 7.311 16.654 1.00 34.50 N ATOM 900 CA TYR A 637 -16.539 7.708 15.691 1.00 34.65 C ATOM 901 C TYR A 637 -17.094 6.504 14.942 1.00 38.82 C ATOM 902 O TYR A 637 -18.305 6.413 14.707 1.00 43.41 O ATOM 903 CB TYR A 637 -15.950 8.723 14.713 1.00 32.08 C ATOM 904 CG TYR A 637 -16.956 9.307 13.756 1.00 39.20 C ATOM 905 CD1 TYR A 637 -17.682 10.441 14.094 1.00 38.18 C ATOM 906 CD2 TYR A 637 -17.182 8.728 12.515 1.00 34.79 C ATOM 907 CE1 TYR A 637 -18.609 10.980 13.226 1.00 40.42 C ATOM 908 CE2 TYR A 637 -18.105 9.262 11.636 1.00 37.05 C ATOM 909 CZ TYR A 637 -18.814 10.389 11.997 1.00 38.65 C ATOM 910 OH TYR A 637 -19.735 10.927 11.130 1.00 41.41 O ATOM 911 HH TYR A 637 -20.149 11.726 11.544 1.00 0.00 H ATOM 912 H TYR A 637 -14.558 7.702 16.572 1.00 0.00 H ATOM 913 N LEU A 638 -16.221 5.573 14.554 1.00 38.40 N ATOM 914 CA LEU A 638 -16.664 4.365 13.868 1.00 43.28 C ATOM 915 C LEU A 638 -17.510 3.496 14.785 1.00 47.49 C ATOM 916 O LEU A 638 -18.538 2.956 14.363 1.00 52.28 O ATOM 917 CB LEU A 638 -15.456 3.577 13.357 1.00 44.64 C ATOM 918 CG LEU A 638 -14.624 4.178 12.222 1.00 44.50 C ATOM 919 CD1 LEU A 638 -13.251 3.526 12.169 1.00 42.46 C ATOM 920 CD2 LEU A 638 -15.335 4.000 10.900 1.00 47.84 C ATOM 921 H LEU A 638 -15.208 5.711 14.744 1.00 0.00 H ATOM 922 N LYS A 639 -17.091 3.344 16.045 1.00 46.39 N ATOM 923 CA LYS A 639 -17.867 2.528 16.974 1.00 49.62 C ATOM 924 C LYS A 639 -19.259 3.109 17.192 1.00 52.96 C ATOM 925 O LYS A 639 -20.240 2.365 17.301 1.00 56.02 O ATOM 926 CB LYS A 639 -17.128 2.396 18.305 1.00 48.30 C ATOM 927 H LYS A 639 -16.215 3.806 16.363 1.00 0.00 H ATOM 928 N LYS A 640 -19.369 4.439 17.248 1.00 50.82 N ATOM 929 CA LYS A 640 -20.662 5.064 17.507 1.00 52.50 C ATOM 930 C LYS A 640 -21.537 5.136 16.260 1.00 54.88 C ATOM 931 O LYS A 640 -22.766 5.068 16.370 1.00 57.32 O ATOM 932 CB LYS A 640 -20.463 6.468 18.086 1.00 48.35 C ATOM 933 H LYS A 640 -18.527 5.033 17.106 1.00 0.00 H ATOM 934 N ASN A 641 -20.936 5.271 15.075 1.00 53.57 N ATOM 935 CA ASN A 641 -21.685 5.479 13.841 1.00 57.15 C ATOM 936 C ASN A 641 -21.598 4.296 12.882 1.00 61.92 C ATOM 937 O ASN A 641 -21.871 4.462 11.688 1.00 63.46 O ATOM 938 CB ASN A 641 -21.200 6.743 13.128 1.00 54.32 C ATOM 939 CG ASN A 641 -21.518 8.008 13.893 1.00 54.64 C ATOM 940 OD1 ASN A 641 -22.679 8.404 14.004 1.00 59.54 O ATOM 941 ND2 ASN A 641 -20.485 8.662 14.408 1.00 49.75 N ATOM 942 HD22 ASN A 641 -19.522 8.289 14.289 1.00 0.00 H ATOM 943 HD21 ASN A 641 -20.639 9.548 14.931 1.00 0.00 H ATOM 944 H ASN A 641 -19.898 5.226 15.031 1.00 0.00 H ATOM 945 N LYS A 642 -21.239 3.104 13.373 1.00 65.93 N ATOM 946 CA LYS A 642 -20.956 1.988 12.470 1.00 70.39 C ATOM 947 C LYS A 642 -22.156 1.657 11.588 1.00 77.63 C ATOM 948 O LYS A 642 -21.994 1.333 10.405 1.00 78.80 O ATOM 949 CB LYS A 642 -20.517 0.754 13.264 1.00 72.32 C ATOM 950 CG LYS A 642 -21.649 -0.031 13.917 1.00 78.37 C ATOM 951 CD LYS A 642 -21.193 -1.400 14.392 1.00 80.74 C ATOM 952 CE LYS A 642 -20.234 -1.287 15.561 1.00 79.07 C ATOM 953 NZ LYS A 642 -19.917 -2.621 16.142 1.00 81.38 N ATOM 954 HZ1 LYS A 642 -20.794 -3.069 16.478 1.00 0.00 H ATOM 955 HZ2 LYS A 642 -19.478 -3.220 15.414 1.00 0.00 H ATOM 956 HZ3 LYS A 642 -19.259 -2.503 16.939 1.00 0.00 H ATOM 957 H LYS A 642 -21.161 2.970 14.401 1.00 0.00 H ATOM 958 N ASN A 643 -23.366 1.761 12.133 1.00 83.56 N ATOM 959 CA ASN A 643 -24.571 1.359 11.416 1.00 89.50 C ATOM 960 C ASN A 643 -24.916 2.279 10.248 1.00 90.44 C ATOM 961 O ASN A 643 -25.980 2.067 9.651 1.00 96.13 O ATOM 962 CB ASN A 643 -25.750 1.283 12.388 1.00 93.61 C ATOM 963 H ASN A 643 -23.455 2.140 13.098 1.00 0.00 H ATOM 964 N CYS A 644 -24.097 3.269 9.888 1.00 86.24 N ATOM 965 CA CYS A 644 -24.416 4.144 8.764 1.00 88.56 C ATOM 966 C CYS A 644 -23.138 4.634 8.088 1.00 80.98 C ATOM 967 O CYS A 644 -23.049 5.787 7.652 1.00 79.07 O ATOM 968 CB CYS A 644 -25.281 5.329 9.203 1.00 94.64 C ATOM 969 SG CYS A 644 -24.489 6.457 10.376 1.00 93.77 S ATOM 970 H CYS A 644 -23.215 3.420 10.418 1.00 0.00 H ATOM 971 N ILE A 645 -22.138 3.764 7.992 1.00 74.83 N ATOM 972 CA ILE A 645 -20.899 4.043 7.272 1.00 67.21 C ATOM 973 C ILE A 645 -20.728 2.958 6.219 1.00 65.46 C ATOM 974 O ILE A 645 -20.649 1.771 6.557 1.00 68.25 O ATOM 975 CB ILE A 645 -19.686 4.091 8.215 1.00 61.94 C ATOM 976 CG1 ILE A 645 -19.656 5.414 8.985 1.00 57.66 C ATOM 977 CG2 ILE A 645 -18.395 3.882 7.438 1.00 60.39 C ATOM 978 CD1 ILE A 645 -18.463 5.555 9.902 1.00 52.59 C ATOM 979 H ILE A 645 -22.243 2.838 8.453 1.00 0.00 H ATOM 980 N ASN A 646 -20.677 3.356 4.947 1.00 60.76 N ATOM 981 CA ASN A 646 -20.586 2.391 3.861 1.00 61.05 C ATOM 982 C ASN A 646 -19.179 2.387 3.260 1.00 58.12 C ATOM 983 O ASN A 646 -18.243 2.992 3.798 1.00 54.60 O ATOM 984 CB ASN A 646 -21.669 2.662 2.806 1.00 58.08 C ATOM 985 CG ASN A 646 -21.477 3.983 2.065 1.00 63.60 C ATOM 986 OD1 ASN A 646 -20.467 4.672 2.219 1.00 59.67 O ATOM 987 ND2 ASN A 646 -22.457 4.332 1.240 1.00 61.26 N ATOM 988 HD22 ASN A 646 -23.293 3.722 1.139 1.00 0.00 H ATOM 989 HD21 ASN A 646 -22.388 5.215 0.695 1.00 0.00 H ATOM 990 H ASN A 646 -20.703 4.372 4.728 1.00 0.00 H ATOM 991 N ILE A 647 -19.041 1.705 2.121 1.00 50.14 N ATOM 992 CA ILE A 647 -17.725 1.475 1.534 1.00 47.53 C ATOM 993 C ILE A 647 -17.142 2.768 0.973 1.00 45.64 C ATOM 994 O ILE A 647 -15.925 2.973 1.004 1.00 43.62 O ATOM 995 CB ILE A 647 -17.815 0.374 0.460 1.00 51.14 C ATOM 996 CG1 ILE A 647 -16.498 0.251 -0.318 1.00 53.31 C ATOM 997 CG2 ILE A 647 -18.983 0.637 -0.477 1.00 53.16 C ATOM 998 CD1 ILE A 647 -15.311 -0.163 0.533 1.00 52.24 C ATOM 999 H ILE A 647 -19.886 1.331 1.644 1.00 0.00 H ATOM 1000 N LEU A 648 -17.990 3.658 0.448 1.00 46.79 N ATOM 1001 CA LEU A 648 -17.485 4.902 -0.130 1.00 46.30 C ATOM 1002 C LEU A 648 -16.850 5.790 0.936 1.00 42.01 C ATOM 1003 O LEU A 648 -15.776 6.369 0.720 1.00 37.22 O ATOM 1004 CB LEU A 648 -18.619 5.639 -0.844 1.00 50.50 C ATOM 1005 CG LEU A 648 -19.241 4.920 -2.045 1.00 53.77 C ATOM 1006 CD1 LEU A 648 -20.705 5.300 -2.201 1.00 58.94 C ATOM 1007 CD2 LEU A 648 -18.473 5.243 -3.318 1.00 51.26 C ATOM 1008 H LEU A 648 -19.012 3.465 0.451 1.00 0.00 H ATOM 1009 N TRP A 649 -17.503 5.906 2.095 1.00 41.17 N ATOM 1010 CA TRP A 649 -16.948 6.658 3.217 1.00 38.29 C ATOM 1011 C TRP A 649 -15.588 6.102 3.626 1.00 36.35 C ATOM 1012 O TRP A 649 -14.594 6.840 3.722 1.00 34.60 O ATOM 1013 CB TRP A 649 -17.941 6.603 4.381 1.00 36.32 C ATOM 1014 CG TRP A 649 -17.642 7.476 5.558 1.00 37.11 C ATOM 1015 CD1 TRP A 649 -18.239 8.664 5.865 1.00 39.40 C ATOM 1016 CD2 TRP A 649 -16.700 7.218 6.607 1.00 35.12 C ATOM 1017 NE1 TRP A 649 -17.716 9.169 7.032 1.00 37.22 N ATOM 1018 CE2 TRP A 649 -16.769 8.300 7.505 1.00 35.76 C ATOM 1019 CE3 TRP A 649 -15.797 6.182 6.868 1.00 35.58 C ATOM 1020 CZ2 TRP A 649 -15.974 8.373 8.646 1.00 36.89 C ATOM 1021 CZ3 TRP A 649 -15.006 6.257 7.997 1.00 35.07 C ATOM 1022 CH2 TRP A 649 -15.098 7.346 8.874 1.00 36.61 C ATOM 1023 HE1 TRP A 649 -17.994 10.064 7.482 1.00 0.00 H ATOM 1024 H TRP A 649 -18.431 5.449 2.201 1.00 0.00 H ATOM 1025 N LYS A 650 -15.530 4.789 3.869 1.00 37.21 N ATOM 1026 CA LYS A 650 -14.274 4.137 4.229 1.00 35.57 C ATOM 1027 C LYS A 650 -13.206 4.362 3.168 1.00 33.82 C ATOM 1028 O LYS A 650 -12.031 4.558 3.492 1.00 31.71 O ATOM 1029 CB LYS A 650 -14.504 2.639 4.424 1.00 38.46 C ATOM 1030 CG LYS A 650 -15.448 2.272 5.553 1.00 41.85 C ATOM 1031 CD LYS A 650 -15.846 0.805 5.450 1.00 47.38 C ATOM 1032 CE LYS A 650 -14.720 -0.029 4.852 1.00 47.28 C ATOM 1033 NZ LYS A 650 -15.058 -1.478 4.743 1.00 49.67 N ATOM 1034 HZ1 LYS A 650 -15.263 -1.857 5.690 1.00 0.00 H ATOM 1035 HZ2 LYS A 650 -15.893 -1.593 4.134 1.00 0.00 H ATOM 1036 HZ3 LYS A 650 -14.253 -1.990 4.330 1.00 0.00 H ATOM 1037 H LYS A 650 -16.398 4.220 3.800 1.00 0.00 H ATOM 1038 N LEU A 651 -13.598 4.331 1.894 1.00 35.99 N ATOM 1039 CA LEU A 651 -12.633 4.469 0.811 1.00 37.69 C ATOM 1040 C LEU A 651 -12.073 5.884 0.755 1.00 37.58 C ATOM 1041 O LEU A 651 -10.878 6.075 0.503 1.00 36.16 O ATOM 1042 CB LEU A 651 -13.289 4.090 -0.517 1.00 43.31 C ATOM 1043 CG LEU A 651 -12.395 3.566 -1.642 1.00 45.12 C ATOM 1044 CD1 LEU A 651 -11.806 2.216 -1.275 1.00 43.66 C ATOM 1045 CD2 LEU A 651 -13.175 3.473 -2.945 1.00 49.12 C ATOM 1046 H LEU A 651 -14.606 4.207 1.670 1.00 0.00 H ATOM 1047 N GLU A 652 -12.922 6.889 0.996 1.00 37.63 N ATOM 1048 CA GLU A 652 -12.440 8.268 1.046 1.00 36.59 C ATOM 1049 C GLU A 652 -11.483 8.476 2.212 1.00 31.99 C ATOM 1050 O GLU A 652 -10.408 9.069 2.049 1.00 29.16 O ATOM 1051 CB GLU A 652 -13.618 9.235 1.144 1.00 43.22 C ATOM 1052 CG GLU A 652 -13.943 9.951 -0.153 1.00 53.27 C ATOM 1053 CD GLU A 652 -12.739 10.670 -0.745 1.00 60.01 C ATOM 1054 OE1 GLU A 652 -12.345 10.340 -1.886 1.00 63.32 O ATOM 1055 OE2 GLU A 652 -12.181 11.562 -0.068 1.00 60.36 O ATOM 1056 H GLU A 652 -13.931 6.688 1.149 1.00 0.00 H ATOM 1057 N VAL A 653 -11.858 8.000 3.404 1.00 31.83 N ATOM 1058 CA VAL A 653 -10.972 8.140 4.558 1.00 29.04 C ATOM 1059 C VAL A 653 -9.654 7.413 4.312 1.00 27.63 C ATOM 1060 O VAL A 653 -8.572 7.917 4.646 1.00 25.75 O ATOM 1061 CB VAL A 653 -11.678 7.640 5.834 1.00 32.05 C ATOM 1062 CG1 VAL A 653 -10.708 7.581 7.006 1.00 29.45 C ATOM 1063 CG2 VAL A 653 -12.849 8.552 6.165 1.00 33.21 C ATOM 1064 H VAL A 653 -12.780 7.530 3.510 1.00 0.00 H ATOM 1065 N ALA A 654 -9.723 6.227 3.701 1.00 29.76 N ATOM 1066 CA ALA A 654 -8.511 5.476 3.401 1.00 28.38 C ATOM 1067 C ALA A 654 -7.629 6.231 2.418 1.00 25.62 C ATOM 1068 O ALA A 654 -6.404 6.273 2.579 1.00 24.07 O ATOM 1069 CB ALA A 654 -8.870 4.097 2.848 1.00 32.51 C ATOM 1070 H ALA A 654 -10.650 5.836 3.437 1.00 0.00 H ATOM 1071 N LYS A 655 -8.237 6.842 1.398 1.00 26.83 N ATOM 1072 CA LYS A 655 -7.465 7.604 0.423 1.00 26.05 C ATOM 1073 C LYS A 655 -6.786 8.799 1.073 1.00 26.61 C ATOM 1074 O LYS A 655 -5.617 9.084 0.791 1.00 25.27 O ATOM 1075 CB LYS A 655 -8.366 8.053 -0.728 1.00 28.43 C ATOM 1076 CG LYS A 655 -8.726 6.935 -1.702 1.00 30.15 C ATOM 1077 CD LYS A 655 -9.616 7.444 -2.832 1.00 31.91 C ATOM 1078 CE LYS A 655 -10.174 6.289 -3.645 1.00 36.74 C ATOM 1079 NZ LYS A 655 -11.204 6.742 -4.620 1.00 42.56 N ATOM 1080 HZ1 LYS A 655 -11.991 7.190 -4.108 1.00 0.00 H ATOM 1081 HZ2 LYS A 655 -10.780 7.428 -5.277 1.00 0.00 H ATOM 1082 HZ3 LYS A 655 -11.558 5.923 -5.154 1.00 0.00 H ATOM 1083 H LYS A 655 -9.270 6.774 1.298 1.00 0.00 H ATOM 1084 N GLN A 656 -7.500 9.508 1.951 1.00 27.92 N ATOM 1085 CA GLN A 656 -6.906 10.657 2.630 1.00 26.02 C ATOM 1086 C GLN A 656 -5.730 10.233 3.504 1.00 26.57 C ATOM 1087 O GLN A 656 -4.654 10.844 3.458 1.00 24.78 O ATOM 1088 CB GLN A 656 -7.970 11.382 3.455 1.00 26.22 C ATOM 1089 CG GLN A 656 -9.089 11.978 2.611 1.00 24.24 C ATOM 1090 CD GLN A 656 -10.149 12.655 3.447 1.00 27.68 C ATOM 1091 OE1 GLN A 656 -9.880 13.115 4.556 1.00 30.02 O ATOM 1092 NE2 GLN A 656 -11.366 12.716 2.923 1.00 28.52 N ATOM 1093 HE22 GLN A 656 -11.548 12.313 1.981 1.00 0.00 H ATOM 1094 HE21 GLN A 656 -12.139 13.166 3.454 1.00 0.00 H ATOM 1095 H GLN A 656 -8.485 9.241 2.153 1.00 0.00 H ATOM 1096 N LEU A 657 -5.914 9.178 4.307 1.00 24.94 N ATOM 1097 CA LEU A 657 -4.813 8.690 5.134 1.00 23.87 C ATOM 1098 C LEU A 657 -3.622 8.275 4.274 1.00 25.08 C ATOM 1099 O LEU A 657 -2.470 8.621 4.573 1.00 24.85 O ATOM 1100 CB LEU A 657 -5.283 7.521 6.001 1.00 21.10 C ATOM 1101 CG LEU A 657 -4.191 6.906 6.871 1.00 22.33 C ATOM 1102 CD1 LEU A 657 -3.666 7.946 7.853 1.00 24.24 C ATOM 1103 CD2 LEU A 657 -4.710 5.679 7.624 1.00 24.73 C ATOM 1104 H LEU A 657 -6.840 8.706 4.342 1.00 0.00 H ATOM 1105 N ALA A 658 -3.885 7.541 3.189 1.00 19.21 N ATOM 1106 CA ALA A 658 -2.809 7.133 2.293 1.00 25.25 C ATOM 1107 C ALA A 658 -2.087 8.339 1.706 1.00 24.55 C ATOM 1108 O ALA A 658 -0.870 8.305 1.517 1.00 24.09 O ATOM 1109 CB ALA A 658 -3.357 6.245 1.177 1.00 26.34 C ATOM 1110 H ALA A 658 -4.864 7.259 2.982 1.00 0.00 H ATOM 1111 N ALA A 659 -2.822 9.412 1.408 1.00 24.78 N ATOM 1112 CA ALA A 659 -2.187 10.609 0.861 1.00 26.65 C ATOM 1113 C ALA A 659 -1.287 11.276 1.895 1.00 25.21 C ATOM 1114 O ALA A 659 -0.185 11.740 1.567 1.00 24.99 O ATOM 1115 CB ALA A 659 -3.253 11.585 0.363 1.00 25.63 C ATOM 1116 H ALA A 659 -3.850 9.396 1.566 1.00 0.00 H ATOM 1117 N ALA A 660 -1.738 11.328 3.148 1.00 22.80 N ATOM 1118 CA ALA A 660 -0.896 11.851 4.222 1.00 25.09 C ATOM 1119 C ALA A 660 0.382 11.033 4.360 1.00 27.56 C ATOM 1120 O ALA A 660 1.483 11.589 4.497 1.00 25.50 O ATOM 1121 CB ALA A 660 -1.676 11.853 5.541 1.00 26.70 C ATOM 1122 H ALA A 660 -2.699 10.993 3.364 1.00 0.00 H ATOM 1123 N MET A 661 0.253 9.700 4.326 1.00 24.92 N ATOM 1124 CA MET A 661 1.425 8.839 4.448 1.00 24.68 C ATOM 1125 C MET A 661 2.328 8.939 3.225 1.00 24.76 C ATOM 1126 O MET A 661 3.541 8.762 3.343 1.00 23.76 O ATOM 1127 CB MET A 661 0.997 7.387 4.668 1.00 21.90 C ATOM 1128 CG MET A 661 0.080 7.157 5.865 1.00 23.77 C ATOM 1129 SD MET A 661 0.720 7.918 7.367 1.00 32.38 S ATOM 1130 CE MET A 661 2.299 7.090 7.528 1.00 29.38 C ATOM 1131 H MET A 661 -0.690 9.276 4.212 1.00 0.00 H ATOM 1132 N HIS A 662 1.762 9.190 2.046 1.00 25.25 N ATOM 1133 CA HIS A 662 2.588 9.404 0.862 1.00 26.18 C ATOM 1134 C HIS A 662 3.399 10.685 1.007 1.00 26.71 C ATOM 1135 O HIS A 662 4.590 10.717 0.673 1.00 26.60 O ATOM 1136 CB HIS A 662 1.706 9.446 -0.384 1.00 23.07 C ATOM 1137 CG HIS A 662 2.450 9.757 -1.646 1.00 30.38 C ATOM 1138 ND1 HIS A 662 3.405 8.916 -2.176 1.00 31.58 N ATOM 1139 CD2 HIS A 662 2.369 10.813 -2.489 1.00 34.74 C ATOM 1140 CE1 HIS A 662 3.884 9.442 -3.290 1.00 32.87 C ATOM 1141 NE2 HIS A 662 3.273 10.593 -3.502 1.00 35.78 N ATOM 1142 H HIS A 662 0.726 9.234 1.969 1.00 0.00 H ATOM 1143 N PHE A 663 2.767 11.745 1.521 1.00 26.81 N ATOM 1144 CA PHE A 663 3.491 12.968 1.861 1.00 26.21 C ATOM 1145 C PHE A 663 4.644 12.678 2.815 1.00 24.90 C ATOM 1146 O PHE A 663 5.780 13.097 2.576 1.00 28.59 O ATOM 1147 CB PHE A 663 2.523 13.989 2.467 1.00 26.93 C ATOM 1148 CG PHE A 663 3.168 15.297 2.845 1.00 28.36 C ATOM 1149 CD1 PHE A 663 3.451 16.252 1.880 1.00 31.53 C ATOM 1150 CD2 PHE A 663 3.476 15.578 4.167 1.00 29.90 C ATOM 1151 CE1 PHE A 663 4.036 17.462 2.228 1.00 33.05 C ATOM 1152 CE2 PHE A 663 4.064 16.782 4.519 1.00 31.42 C ATOM 1153 CZ PHE A 663 4.347 17.724 3.548 1.00 29.41 C ATOM 1154 H PHE A 663 1.741 11.698 1.682 1.00 0.00 H ATOM 1155 N LEU A 664 4.377 11.942 3.895 1.00 26.47 N ATOM 1156 CA LEU A 664 5.443 11.599 4.838 1.00 30.17 C ATOM 1157 C LEU A 664 6.545 10.777 4.169 1.00 29.34 C ATOM 1158 O LEU A 664 7.737 11.035 4.374 1.00 27.17 O ATOM 1159 CB LEU A 664 4.862 10.844 6.037 1.00 30.45 C ATOM 1160 CG LEU A 664 3.976 11.676 6.967 1.00 30.18 C ATOM 1161 CD1 LEU A 664 3.499 10.835 8.157 1.00 27.43 C ATOM 1162 CD2 LEU A 664 4.716 12.917 7.438 1.00 32.74 C ATOM 1163 H LEU A 664 3.407 11.610 4.068 1.00 0.00 H ATOM 1164 N GLU A 665 6.165 9.781 3.365 1.00 21.52 N ATOM 1165 CA GLU A 665 7.156 8.907 2.742 1.00 28.15 C ATOM 1166 C GLU A 665 8.060 9.684 1.792 1.00 30.22 C ATOM 1167 O GLU A 665 9.284 9.515 1.812 1.00 31.67 O ATOM 1168 CB GLU A 665 6.457 7.758 2.009 1.00 28.52 C ATOM 1169 CG GLU A 665 7.398 6.863 1.207 1.00 33.20 C ATOM 1170 CD GLU A 665 6.740 5.582 0.711 1.00 35.60 C ATOM 1171 OE1 GLU A 665 5.597 5.632 0.211 1.00 34.86 O ATOM 1172 OE2 GLU A 665 7.376 4.517 0.828 1.00 38.08 O ATOM 1173 H GLU A 665 5.153 9.626 3.180 1.00 0.00 H ATOM 1174 N GLU A 666 7.475 10.548 0.959 1.00 34.32 N ATOM 1175 CA GLU A 666 8.274 11.370 0.054 1.00 38.81 C ATOM 1176 C GLU A 666 9.217 12.301 0.806 1.00 37.29 C ATOM 1177 O GLU A 666 10.253 12.693 0.261 1.00 38.07 O ATOM 1178 CB GLU A 666 7.355 12.179 -0.863 1.00 42.98 C ATOM 1179 CG GLU A 666 6.632 11.346 -1.908 1.00 46.68 C ATOM 1180 CD GLU A 666 7.479 11.100 -3.141 1.00 54.23 C ATOM 1181 OE1 GLU A 666 7.819 12.083 -3.833 1.00 57.51 O ATOM 1182 OE2 GLU A 666 7.811 9.927 -3.416 1.00 57.42 O ATOM 1183 H GLU A 666 6.439 10.637 0.955 1.00 0.00 H ATOM 1184 N ASN A 667 8.886 12.660 2.042 1.00 34.45 N ATOM 1185 CA ASN A 667 9.768 13.452 2.887 1.00 36.14 C ATOM 1186 C ASN A 667 10.629 12.586 3.799 1.00 35.21 C ATOM 1187 O ASN A 667 11.350 13.124 4.646 1.00 35.81 O ATOM 1188 CB ASN A 667 8.948 14.445 3.710 1.00 33.30 C ATOM 1189 CG ASN A 667 8.502 15.653 2.892 1.00 34.72 C ATOM 1190 OD1 ASN A 667 9.221 16.645 2.794 1.00 31.54 O ATOM 1191 ND2 ASN A 667 7.311 15.571 2.308 1.00 32.81 N ATOM 1192 HD22 ASN A 667 6.736 14.711 2.418 1.00 0.00 H ATOM 1193 HD21 ASN A 667 6.954 16.366 1.741 1.00 0.00 H ATOM 1194 H ASN A 667 7.963 12.364 2.419 1.00 0.00 H ATOM 1195 N THR A 668 10.572 11.262 3.634 1.00 31.89 N ATOM 1196 CA THR A 668 11.350 10.316 4.439 1.00 37.26 C ATOM 1197 C THR A 668 11.184 10.586 5.934 1.00 38.60 C ATOM 1198 O THR A 668 12.149 10.580 6.701 1.00 43.32 O ATOM 1199 CB THR A 668 12.827 10.342 4.043 1.00 45.40 C ATOM 1200 OG1 THR A 668 13.394 11.613 4.382 1.00 47.70 O ATOM 1201 CG2 THR A 668 12.985 10.109 2.542 1.00 47.30 C ATOM 1202 HG1 THR A 668 12.911 12.328 3.898 1.00 0.00 H ATOM 1203 H THR A 668 9.944 10.883 2.897 1.00 0.00 H ATOM 1204 N LEU A 669 9.948 10.834 6.353 1.00 34.00 N ATOM 1205 CA LEU A 669 9.635 11.103 7.751 1.00 36.15 C ATOM 1206 C LEU A 669 8.840 9.932 8.310 1.00 33.10 C ATOM 1207 O LEU A 669 7.767 9.602 7.795 1.00 32.97 O ATOM 1208 CB LEU A 669 8.858 12.411 7.902 1.00 40.51 C ATOM 1209 CG LEU A 669 8.985 13.062 9.279 1.00 46.87 C ATOM 1210 CD1 LEU A 669 10.453 13.304 9.616 1.00 50.77 C ATOM 1211 CD2 LEU A 669 8.199 14.364 9.336 1.00 48.01 C ATOM 1212 H LEU A 669 9.175 10.836 5.658 1.00 0.00 H ATOM 1213 N ILE A 670 9.371 9.307 9.355 1.00 34.41 N ATOM 1214 CA ILE A 670 8.698 8.188 10.007 1.00 32.19 C ATOM 1215 C ILE A 670 7.671 8.735 10.987 1.00 31.48 C ATOM 1216 O ILE A 670 7.983 9.609 11.806 1.00 31.77 O ATOM 1217 CB ILE A 670 9.719 7.286 10.719 1.00 35.63 C ATOM 1218 CG1 ILE A 670 10.722 6.713 9.716 1.00 38.50 C ATOM 1219 CG2 ILE A 670 9.012 6.170 11.493 1.00 35.89 C ATOM 1220 CD1 ILE A 670 11.863 5.966 10.370 1.00 41.81 C ATOM 1221 H ILE A 670 10.292 9.624 9.719 1.00 0.00 H ATOM 1222 N HIS A 671 6.437 8.235 10.899 1.00 28.85 N ATOM 1223 CA HIS A 671 5.436 8.595 11.899 1.00 29.82 C ATOM 1224 C HIS A 671 5.592 7.725 13.142 1.00 32.12 C ATOM 1225 O HIS A 671 5.894 8.224 14.232 1.00 30.65 O ATOM 1226 CB HIS A 671 4.026 8.469 11.315 1.00 28.14 C ATOM 1227 CG HIS A 671 2.948 8.926 12.248 1.00 31.06 C ATOM 1228 ND1 HIS A 671 2.324 8.079 13.138 1.00 31.25 N ATOM 1229 CD2 HIS A 671 2.390 10.146 12.435 1.00 31.69 C ATOM 1230 CE1 HIS A 671 1.427 8.756 13.832 1.00 31.58 C ATOM 1231 NE2 HIS A 671 1.446 10.013 13.424 1.00 31.50 N ATOM 1232 H HIS A 671 6.189 7.591 10.121 1.00 0.00 H ATOM 1233 N GLY A 672 5.404 6.412 12.988 1.00 28.40 N ATOM 1234 CA GLY A 672 5.685 5.461 14.039 1.00 28.54 C ATOM 1235 C GLY A 672 4.491 5.024 14.863 1.00 29.06 C ATOM 1236 O GLY A 672 4.638 4.122 15.698 1.00 26.51 O ATOM 1237 H GLY A 672 5.042 6.061 12.078 1.00 0.00 H ATOM 1238 N ASN A 673 3.320 5.632 14.669 1.00 28.38 N ATOM 1239 CA ASN A 673 2.147 5.211 15.427 1.00 31.03 C ATOM 1240 C ASN A 673 0.866 5.507 14.662 1.00 29.75 C ATOM 1241 O ASN A 673 -0.009 6.229 15.155 1.00 27.63 O ATOM 1242 CB ASN A 673 2.116 5.885 16.801 1.00 32.28 C ATOM 1243 CG ASN A 673 1.194 5.172 17.775 1.00 34.18 C ATOM 1244 OD1 ASN A 673 0.773 4.046 17.526 1.00 35.09 O ATOM 1245 ND2 ASN A 673 0.878 5.826 18.890 1.00 32.49 N ATOM 1246 HD22 ASN A 673 1.258 6.779 19.059 1.00 0.00 H ATOM 1247 HD21 ASN A 673 0.251 5.384 19.592 1.00 0.00 H ATOM 1248 H ASN A 673 3.243 6.405 13.978 1.00 0.00 H ATOM 1249 N VAL A 674 0.752 4.958 13.454 1.00 29.88 N ATOM 1250 CA VAL A 674 -0.478 5.066 12.680 1.00 27.33 C ATOM 1251 C VAL A 674 -1.505 4.112 13.280 1.00 24.64 C ATOM 1252 O VAL A 674 -1.254 2.910 13.393 1.00 26.97 O ATOM 1253 CB VAL A 674 -0.226 4.754 11.197 1.00 23.79 C ATOM 1254 CG1 VAL A 674 -1.517 4.861 10.411 1.00 23.34 C ATOM 1255 CG2 VAL A 674 0.811 5.717 10.622 1.00 28.12 C ATOM 1256 H VAL A 674 1.560 4.440 13.054 1.00 0.00 H ATOM 1257 N CYS A 675 -2.658 4.649 13.669 1.00 24.49 N ATOM 1258 CA CYS A 675 -3.761 3.860 14.204 1.00 25.98 C ATOM 1259 C CYS A 675 -5.013 4.723 14.162 1.00 25.77 C ATOM 1260 O CYS A 675 -4.934 5.950 14.087 1.00 24.28 O ATOM 1261 CB CYS A 675 -3.479 3.379 15.632 1.00 25.88 C ATOM 1262 SG CYS A 675 -3.181 4.720 16.809 1.00 26.24 S ATOM 1263 H CYS A 675 -2.778 5.679 13.588 1.00 0.00 H ATOM 1264 N ALA A 676 -6.175 4.066 14.219 1.00 26.52 N ATOM 1265 CA ALA A 676 -7.432 4.797 14.078 1.00 23.39 C ATOM 1266 C ALA A 676 -7.605 5.849 15.165 1.00 28.88 C ATOM 1267 O ALA A 676 -8.200 6.904 14.914 1.00 29.20 O ATOM 1268 CB ALA A 676 -8.615 3.830 14.083 1.00 24.19 C ATOM 1269 H ALA A 676 -6.185 3.036 14.363 1.00 0.00 H ATOM 1270 N LYS A 677 -7.087 5.591 16.371 1.00 25.45 N ATOM 1271 CA LYS A 677 -7.196 6.576 17.442 1.00 27.19 C ATOM 1272 C LYS A 677 -6.445 7.856 17.108 1.00 28.96 C ATOM 1273 O LYS A 677 -6.783 8.928 17.628 1.00 31.03 O ATOM 1274 CB LYS A 677 -6.677 5.989 18.756 1.00 26.64 C ATOM 1275 H LYS A 677 -6.605 4.686 16.546 1.00 0.00 H ATOM 1276 N ASN A 678 -5.415 7.769 16.268 1.00 27.50 N ATOM 1277 CA ASN A 678 -4.635 8.935 15.873 1.00 28.33 C ATOM 1278 C ASN A 678 -5.123 9.555 14.567 1.00 28.16 C ATOM 1279 O ASN A 678 -4.438 10.415 14.004 1.00 29.14 O ATOM 1280 CB ASN A 678 -3.152 8.572 15.759 1.00 25.12 C ATOM 1281 CG ASN A 678 -2.476 8.470 17.110 1.00 29.99 C ATOM 1282 OD1 ASN A 678 -2.950 9.046 18.093 1.00 33.85 O ATOM 1283 ND2 ASN A 678 -1.364 7.740 17.169 1.00 27.03 N ATOM 1284 HD22 ASN A 678 -1.003 7.273 16.313 1.00 0.00 H ATOM 1285 HD21 ASN A 678 -0.857 7.637 18.071 1.00 0.00 H ATOM 1286 H ASN A 678 -5.159 6.838 15.881 1.00 0.00 H ATOM 1287 N ILE A 679 -6.281 9.131 14.071 1.00 27.28 N ATOM 1288 CA ILE A 679 -6.953 9.793 12.962 1.00 28.12 C ATOM 1289 C ILE A 679 -8.142 10.549 13.530 1.00 30.18 C ATOM 1290 O ILE A 679 -8.914 10.001 14.327 1.00 29.11 O ATOM 1291 CB ILE A 679 -7.403 8.789 11.891 1.00 28.37 C ATOM 1292 CG1 ILE A 679 -6.220 7.952 11.415 1.00 28.87 C ATOM 1293 CG2 ILE A 679 -8.038 9.526 10.718 1.00 25.99 C ATOM 1294 CD1 ILE A 679 -6.613 6.927 10.390 1.00 31.96 C ATOM 1295 H ILE A 679 -6.726 8.291 14.493 1.00 0.00 H ATOM 1296 N LEU A 680 -8.288 11.806 13.127 1.00 25.99 N ATOM 1297 CA LEU A 680 -9.289 12.701 13.681 1.00 30.30 C ATOM 1298 C LEU A 680 -10.185 13.215 12.567 1.00 29.70 C ATOM 1299 O LEU A 680 -9.718 13.490 11.456 1.00 28.83 O ATOM 1300 CB LEU A 680 -8.612 13.853 14.416 1.00 34.69 C ATOM 1301 CG LEU A 680 -7.704 13.312 15.522 1.00 42.33 C ATOM 1302 CD1 LEU A 680 -6.528 14.226 15.757 1.00 47.50 C ATOM 1303 CD2 LEU A 680 -8.494 13.109 16.804 1.00 45.21 C ATOM 1304 H LEU A 680 -7.658 12.165 12.382 1.00 0.00 H ATOM 1305 N LEU A 681 -11.473 13.331 12.864 1.00 26.75 N ATOM 1306 CA LEU A 681 -12.482 13.680 11.870 1.00 29.75 C ATOM 1307 C LEU A 681 -12.782 15.173 11.972 1.00 30.62 C ATOM 1308 O LEU A 681 -13.473 15.618 12.890 1.00 33.49 O ATOM 1309 CB LEU A 681 -13.735 12.837 12.066 1.00 29.55 C ATOM 1310 CG LEU A 681 -14.770 12.948 10.949 1.00 35.40 C ATOM 1311 CD1 LEU A 681 -14.205 12.404 9.636 1.00 32.57 C ATOM 1312 CD2 LEU A 681 -16.032 12.219 11.339 1.00 38.48 C ATOM 1313 H LEU A 681 -11.775 13.166 13.845 1.00 0.00 H ATOM 1314 N ILE A 682 -12.258 15.939 11.010 1.00 28.35 N ATOM 1315 CA ILE A 682 -12.503 17.377 10.934 1.00 32.61 C ATOM 1316 C ILE A 682 -13.962 17.665 10.597 1.00 33.28 C ATOM 1317 O ILE A 682 -14.582 18.559 11.186 1.00 31.22 O ATOM 1318 CB ILE A 682 -11.550 18.018 9.904 1.00 38.32 C ATOM 1319 CG1 ILE A 682 -10.124 18.098 10.456 1.00 43.24 C ATOM 1320 CG2 ILE A 682 -12.045 19.400 9.480 1.00 40.32 C ATOM 1321 CD1 ILE A 682 -9.860 19.334 11.308 1.00 47.00 C ATOM 1322 H ILE A 682 -11.654 15.495 10.289 1.00 0.00 H ATOM 1323 N ARG A 683 -14.532 16.938 9.635 1.00 30.44 N ATOM 1324 CA ARG A 683 -15.923 17.159 9.266 1.00 36.76 C ATOM 1325 C ARG A 683 -16.530 15.865 8.746 1.00 36.03 C ATOM 1326 O ARG A 683 -15.833 15.012 8.190 1.00 31.98 O ATOM 1327 CB ARG A 683 -16.072 18.266 8.212 1.00 45.46 C ATOM 1328 CG ARG A 683 -15.604 17.871 6.832 1.00 49.82 C ATOM 1329 CD ARG A 683 -16.249 18.731 5.759 1.00 53.73 C ATOM 1330 NE ARG A 683 -16.094 18.131 4.439 1.00 55.20 N ATOM 1331 CZ ARG A 683 -15.128 18.443 3.584 1.00 58.55 C ATOM 1332 NH1 ARG A 683 -14.227 19.361 3.905 1.00 57.14 N ATOM 1333 NH2 ARG A 683 -15.063 17.838 2.406 1.00 61.97 N ATOM 1334 HE ARG A 683 -16.786 17.411 4.148 1.00 0.00 H ATOM 1335 HH12 ARG A 683 -13.471 19.604 3.234 1.00 0.00 H ATOM 1336 HH11 ARG A 683 -14.276 19.838 4.828 1.00 0.00 H ATOM 1337 HH22 ARG A 683 -14.306 18.083 1.737 1.00 0.00 H ATOM 1338 HH21 ARG A 683 -15.769 17.118 2.151 1.00 0.00 H ATOM 1339 H ARG A 683 -13.978 16.207 9.144 1.00 0.00 H ATOM 1340 N GLU A 684 -17.841 15.735 8.927 1.00 38.14 N ATOM 1341 CA GLU A 684 -18.543 14.517 8.558 1.00 39.84 C ATOM 1342 C GLU A 684 -18.970 14.551 7.096 1.00 43.86 C ATOM 1343 O GLU A 684 -19.065 15.609 6.468 1.00 42.95 O ATOM 1344 CB GLU A 684 -19.783 14.312 9.431 1.00 41.75 C ATOM 1345 CG GLU A 684 -19.567 14.553 10.908 1.00 42.17 C ATOM 1346 CD GLU A 684 -20.780 14.161 11.734 1.00 45.20 C ATOM 1347 OE1 GLU A 684 -20.809 13.020 12.243 1.00 43.71 O ATOM 1348 OE2 GLU A 684 -21.708 14.987 11.857 1.00 46.31 O ATOM 1349 H GLU A 684 -18.377 16.524 9.342 1.00 0.00 H ATOM 1350 N GLU A 685 -19.240 13.362 6.560 1.00 45.25 N ATOM 1351 CA GLU A 685 -19.845 13.259 5.241 1.00 47.85 C ATOM 1352 C GLU A 685 -21.240 13.872 5.254 1.00 51.76 C ATOM 1353 O GLU A 685 -22.025 13.657 6.182 1.00 51.70 O ATOM 1354 CB GLU A 685 -19.913 11.794 4.809 1.00 48.68 C ATOM 1355 CG GLU A 685 -20.844 11.518 3.639 1.00 54.26 C ATOM 1356 CD GLU A 685 -20.943 10.038 3.315 1.00 58.93 C ATOM 1357 OE1 GLU A 685 -20.048 9.519 2.613 1.00 59.56 O ATOM 1358 OE2 GLU A 685 -21.907 9.391 3.776 1.00 62.23 O ATOM 1359 H GLU A 685 -19.016 12.496 7.091 1.00 0.00 H ATOM 1360 N ASP A 686 -21.540 14.655 4.220 1.00 56.21 N ATOM 1361 CA ASP A 686 -22.860 15.252 4.032 1.00 64.12 C ATOM 1362 C ASP A 686 -23.336 14.867 2.636 1.00 70.11 C ATOM 1363 O ASP A 686 -22.967 15.512 1.650 1.00 72.61 O ATOM 1364 CB ASP A 686 -22.816 16.767 4.209 1.00 66.62 C ATOM 1365 CG ASP A 686 -24.159 17.427 3.939 1.00 72.65 C ATOM 1366 OD1 ASP A 686 -25.198 16.737 4.022 1.00 75.68 O ATOM 1367 OD2 ASP A 686 -24.172 18.638 3.636 1.00 74.34 O ATOM 1368 H ASP A 686 -20.801 14.850 3.514 1.00 0.00 H ATOM 1369 N ARG A 687 -24.154 13.813 2.555 1.00 74.99 N ATOM 1370 CA ARG A 687 -24.662 13.361 1.265 1.00 77.87 C ATOM 1371 C ARG A 687 -25.581 14.386 0.613 1.00 82.61 C ATOM 1372 O ARG A 687 -25.796 14.322 -0.602 1.00 84.56 O ATOM 1373 CB ARG A 687 -25.396 12.028 1.427 1.00 78.99 C ATOM 1374 H ARG A 687 -24.431 13.310 3.422 1.00 0.00 H ATOM 1375 N LYS A 688 -26.124 15.328 1.388 1.00 82.58 N ATOM 1376 CA LYS A 688 -26.974 16.361 0.808 1.00 84.74 C ATOM 1377 C LYS A 688 -26.186 17.290 -0.107 1.00 83.29 C ATOM 1378 O LYS A 688 -26.721 17.762 -1.116 1.00 86.37 O ATOM 1379 CB LYS A 688 -27.660 17.162 1.915 1.00 84.34 C ATOM 1380 H LYS A 688 -25.940 15.325 2.412 1.00 0.00 H ATOM 1381 N THR A 689 -24.923 17.563 0.224 1.00 79.89 N ATOM 1382 CA THR A 689 -24.077 18.437 -0.582 1.00 80.11 C ATOM 1383 C THR A 689 -22.889 17.701 -1.191 1.00 81.37 C ATOM 1384 O THR A 689 -21.972 18.349 -1.709 1.00 83.64 O ATOM 1385 CB THR A 689 -23.583 19.625 0.252 1.00 76.57 C ATOM 1386 OG1 THR A 689 -22.699 19.159 1.279 1.00 72.55 O ATOM 1387 CG2 THR A 689 -24.757 20.348 0.895 1.00 78.60 C ATOM 1388 HG1 THR A 689 -23.182 18.524 1.865 1.00 0.00 H ATOM 1389 H THR A 689 -24.527 17.138 1.087 1.00 0.00 H ATOM 1390 N GLY A 690 -22.876 16.369 -1.139 1.00 81.89 N ATOM 1391 CA GLY A 690 -21.807 15.581 -1.717 1.00 79.72 C ATOM 1392 C GLY A 690 -20.471 15.668 -1.014 1.00 76.30 C ATOM 1393 O GLY A 690 -19.511 15.038 -1.474 1.00 75.89 O ATOM 1394 H GLY A 690 -23.662 15.878 -0.666 1.00 0.00 H ATOM 1395 N ASN A 691 -20.375 16.414 0.083 1.00 73.35 N ATOM 1396 CA ASN A 691 -19.094 16.607 0.749 1.00 68.70 C ATOM 1397 C ASN A 691 -18.589 15.287 1.333 1.00 61.72 C ATOM 1398 O ASN A 691 -19.325 14.616 2.065 1.00 63.30 O ATOM 1399 CB ASN A 691 -19.215 17.648 1.860 1.00 72.98 C ATOM 1400 CG ASN A 691 -18.859 19.041 1.392 1.00 77.79 C ATOM 1401 OD1 ASN A 691 -18.134 19.211 0.411 1.00 80.52 O ATOM 1402 ND2 ASN A 691 -19.360 20.050 2.097 1.00 78.83 N ATOM 1403 HD22 ASN A 691 -19.968 19.859 2.919 1.00 0.00 H ATOM 1404 HD21 ASN A 691 -19.144 21.031 1.827 1.00 0.00 H ATOM 1405 H ASN A 691 -21.227 16.866 0.471 1.00 0.00 H ATOM 1406 N PRO A 692 -17.358 14.889 1.029 1.00 52.25 N ATOM 1407 CA PRO A 692 -16.782 13.713 1.681 1.00 47.73 C ATOM 1408 C PRO A 692 -16.354 14.040 3.093 1.00 43.91 C ATOM 1409 O PRO A 692 -16.236 15.222 3.459 1.00 40.59 O ATOM 1410 CB PRO A 692 -15.571 13.386 0.791 1.00 46.02 C ATOM 1411 CG PRO A 692 -15.172 14.706 0.230 1.00 46.48 C ATOM 1412 CD PRO A 692 -16.459 15.458 0.012 1.00 50.20 C ATOM 1413 N PRO A 693 -16.120 13.032 3.935 1.00 40.71 N ATOM 1414 CA PRO A 693 -15.479 13.292 5.224 1.00 36.91 C ATOM 1415 C PRO A 693 -14.062 13.802 5.015 1.00 36.12 C ATOM 1416 O PRO A 693 -13.454 13.614 3.959 1.00 36.96 O ATOM 1417 CB PRO A 693 -15.485 11.920 5.911 1.00 34.17 C ATOM 1418 CG PRO A 693 -15.525 10.947 4.780 1.00 33.34 C ATOM 1419 CD PRO A 693 -16.382 11.596 3.731 1.00 36.80 C ATOM 1420 N PHE A 694 -13.535 14.468 6.038 1.00 33.29 N ATOM 1421 CA PHE A 694 -12.166 14.962 5.999 1.00 30.93 C ATOM 1422 C PHE A 694 -11.483 14.593 7.303 1.00 30.75 C ATOM 1423 O PHE A 694 -12.033 14.836 8.379 1.00 30.76 O ATOM 1424 CB PHE A 694 -12.119 16.480 5.775 1.00 31.71 C ATOM 1425 CG PHE A 694 -10.761 16.986 5.390 1.00 30.77 C ATOM 1426 CD1 PHE A 694 -9.807 17.264 6.355 1.00 30.25 C ATOM 1427 CD2 PHE A 694 -10.429 17.161 4.057 1.00 34.13 C ATOM 1428 CE1 PHE A 694 -8.548 17.712 5.999 1.00 31.71 C ATOM 1429 CE2 PHE A 694 -9.174 17.610 3.692 1.00 34.48 C ATOM 1430 CZ PHE A 694 -8.235 17.896 4.664 1.00 33.53 C ATOM 1431 H PHE A 694 -14.114 14.640 6.885 1.00 0.00 H ATOM 1432 N ILE A 695 -10.290 14.007 7.208 1.00 23.87 N ATOM 1433 CA ILE A 695 -9.568 13.533 8.381 1.00 29.35 C ATOM 1434 C ILE A 695 -8.190 14.183 8.434 1.00 30.03 C ATOM 1435 O ILE A 695 -7.670 14.696 7.437 1.00 28.23 O ATOM 1436 CB ILE A 695 -9.438 11.991 8.409 1.00 30.78 C ATOM 1437 CG1 ILE A 695 -8.756 11.470 7.142 1.00 32.54 C ATOM 1438 CG2 ILE A 695 -10.798 11.334 8.571 1.00 28.75 C ATOM 1439 CD1 ILE A 695 -7.264 11.272 7.275 1.00 33.98 C ATOM 1440 H ILE A 695 -9.862 13.884 6.268 1.00 0.00 H ATOM 1441 N LYS A 696 -7.601 14.154 9.628 1.00 27.44 N ATOM 1442 CA LYS A 696 -6.223 14.558 9.853 1.00 26.15 C ATOM 1443 C LYS A 696 -5.528 13.498 10.692 1.00 26.00 C ATOM 1444 O LYS A 696 -6.149 12.855 11.540 1.00 26.13 O ATOM 1445 CB LYS A 696 -6.124 15.916 10.567 1.00 25.34 C ATOM 1446 CG LYS A 696 -6.278 17.137 9.661 1.00 29.78 C ATOM 1447 CD LYS A 696 -6.020 18.431 10.453 1.00 29.57 C ATOM 1448 CE LYS A 696 -6.086 19.666 9.574 1.00 32.62 C ATOM 1449 NZ LYS A 696 -5.620 20.890 10.305 1.00 33.56 N ATOM 1450 HZ1 LYS A 696 -6.224 21.046 11.137 1.00 0.00 H ATOM 1451 HZ2 LYS A 696 -4.635 20.756 10.610 1.00 0.00 H ATOM 1452 HZ3 LYS A 696 -5.679 21.714 9.673 1.00 0.00 H ATOM 1453 H LYS A 696 -8.157 13.825 10.443 1.00 0.00 H ATOM 1454 N LEU A 697 -4.234 13.327 10.452 1.00 23.86 N ATOM 1455 CA LEU A 697 -3.410 12.416 11.232 1.00 25.16 C ATOM 1456 C LEU A 697 -2.772 13.174 12.390 1.00 28.84 C ATOM 1457 O LEU A 697 -2.237 14.272 12.200 1.00 24.91 O ATOM 1458 CB LEU A 697 -2.335 11.785 10.347 1.00 28.35 C ATOM 1459 CG LEU A 697 -1.329 10.816 10.976 1.00 31.03 C ATOM 1460 CD1 LEU A 697 -2.015 9.600 11.624 1.00 29.21 C ATOM 1461 CD2 LEU A 697 -0.299 10.377 9.930 1.00 27.65 C ATOM 1462 H LEU A 697 -3.793 13.864 9.678 1.00 0.00 H ATOM 1463 N SER A 698 -2.839 12.594 13.589 1.00 35.75 N ATOM 1464 CA SER A 698 -2.296 13.238 14.774 1.00 36.90 C ATOM 1465 C SER A 698 -0.844 12.818 15.002 1.00 33.09 C ATOM 1466 O SER A 698 -0.303 11.956 14.307 1.00 29.57 O ATOM 1467 CB SER A 698 -3.150 12.923 15.999 1.00 45.10 C ATOM 1468 OG SER A 698 -2.689 13.655 17.122 1.00 51.23 O ATOM 1469 HG SER A 698 -3.252 13.441 17.908 1.00 0.00 H ATOM 1470 H SER A 698 -3.289 11.661 13.678 1.00 0.00 H ATOM 1471 N ASP A 699 -0.200 13.436 15.993 1.00 33.31 N ATOM 1472 CA ASP A 699 1.191 13.121 16.279 1.00 36.82 C ATOM 1473 C ASP A 699 1.298 11.738 16.924 1.00 36.29 C ATOM 1474 O ASP A 699 0.338 11.243 17.520 1.00 36.43 O ATOM 1475 CB ASP A 699 1.812 14.194 17.175 1.00 45.04 C ATOM 1476 CG ASP A 699 1.554 13.957 18.644 1.00 49.40 C ATOM 1477 OD1 ASP A 699 0.452 14.307 19.115 1.00 53.39 O ATOM 1478 OD2 ASP A 699 2.456 13.419 19.322 1.00 48.34 O ATOM 1479 H ASP A 699 -0.696 14.148 16.566 1.00 0.00 H ATOM 1480 N PRO A 700 2.456 11.079 16.794 1.00 34.48 N ATOM 1481 CA PRO A 700 2.557 9.676 17.220 1.00 32.11 C ATOM 1482 C PRO A 700 2.777 9.470 18.709 1.00 35.16 C ATOM 1483 O PRO A 700 2.753 8.314 19.157 1.00 34.73 O ATOM 1484 CB PRO A 700 3.766 9.167 16.428 1.00 31.87 C ATOM 1485 CG PRO A 700 4.621 10.371 16.272 1.00 31.93 C ATOM 1486 CD PRO A 700 3.676 11.525 16.095 1.00 33.14 C ATOM 1487 N GLY A 701 3.001 10.525 19.484 1.00 35.24 N ATOM 1488 CA GLY A 701 3.336 10.340 20.881 1.00 35.88 C ATOM 1489 C GLY A 701 4.742 9.780 21.055 1.00 36.48 C ATOM 1490 O GLY A 701 5.514 9.630 20.108 1.00 35.81 O ATOM 1491 H GLY A 701 2.936 11.484 19.088 1.00 0.00 H ATOM 1492 N ILE A 702 5.059 9.463 22.315 1.00 35.59 N ATOM 1493 CA ILE A 702 6.389 8.970 22.653 1.00 36.41 C ATOM 1494 C ILE A 702 6.750 7.786 21.761 1.00 35.95 C ATOM 1495 O ILE A 702 5.942 6.876 21.547 1.00 36.25 O ATOM 1496 CB ILE A 702 6.453 8.598 24.145 1.00 38.98 C ATOM 1497 CG1 ILE A 702 6.183 9.833 25.009 1.00 41.51 C ATOM 1498 CG2 ILE A 702 7.799 7.983 24.483 1.00 40.60 C ATOM 1499 CD1 ILE A 702 5.990 9.519 26.471 1.00 41.48 C ATOM 1500 H ILE A 702 4.346 9.570 23.065 1.00 0.00 H ATOM 1501 N SER A 703 7.972 7.809 21.231 1.00 34.92 N ATOM 1502 CA SER A 703 8.380 6.865 20.197 1.00 36.99 C ATOM 1503 C SER A 703 8.479 5.447 20.746 1.00 37.52 C ATOM 1504 O SER A 703 8.875 5.233 21.894 1.00 38.03 O ATOM 1505 CB SER A 703 9.726 7.290 19.607 1.00 40.70 C ATOM 1506 OG SER A 703 10.194 6.355 18.645 1.00 43.34 O ATOM 1507 HG SER A 703 11.064 6.661 18.285 1.00 0.00 H ATOM 1508 H SER A 703 8.654 8.520 21.564 1.00 0.00 H ATOM 1509 N ILE A 704 8.129 4.466 19.905 1.00 38.69 N ATOM 1510 CA ILE A 704 8.287 3.066 20.289 1.00 40.51 C ATOM 1511 C ILE A 704 9.752 2.703 20.467 1.00 41.51 C ATOM 1512 O ILE A 704 10.062 1.667 21.064 1.00 42.11 O ATOM 1513 CB ILE A 704 7.629 2.115 19.260 1.00 38.79 C ATOM 1514 CG1 ILE A 704 8.250 2.303 17.875 1.00 42.53 C ATOM 1515 CG2 ILE A 704 6.121 2.320 19.210 1.00 35.82 C ATOM 1516 CD1 ILE A 704 7.805 1.266 16.857 1.00 41.81 C ATOM 1517 H ILE A 704 7.741 4.703 18.970 1.00 0.00 H ATOM 1518 N THR A 705 10.670 3.530 19.959 1.00 40.08 N ATOM 1519 CA THR A 705 12.087 3.253 20.148 1.00 43.59 C ATOM 1520 C THR A 705 12.521 3.397 21.601 1.00 49.14 C ATOM 1521 O THR A 705 13.550 2.829 21.981 1.00 54.78 O ATOM 1522 CB THR A 705 12.932 4.165 19.255 1.00 45.38 C ATOM 1523 OG1 THR A 705 12.552 5.531 19.456 1.00 45.89 O ATOM 1524 CG2 THR A 705 12.739 3.801 17.789 1.00 44.55 C ATOM 1525 HG1 THR A 705 11.595 5.643 19.227 1.00 0.00 H ATOM 1526 H THR A 705 10.372 4.373 19.428 1.00 0.00 H ATOM 1527 N VAL A 706 11.763 4.122 22.425 1.00 46.69 N ATOM 1528 CA VAL A 706 12.122 4.332 23.824 1.00 49.82 C ATOM 1529 C VAL A 706 11.064 3.792 24.778 1.00 50.52 C ATOM 1530 O VAL A 706 11.202 3.949 25.993 1.00 54.96 O ATOM 1531 CB VAL A 706 12.401 5.815 24.120 1.00 51.92 C ATOM 1532 CG1 VAL A 706 13.475 6.353 23.191 1.00 53.78 C ATOM 1533 CG2 VAL A 706 11.121 6.630 24.003 1.00 48.63 C ATOM 1534 H VAL A 706 10.889 4.551 22.059 1.00 0.00 H ATOM 1535 N LEU A 707 10.012 3.160 24.268 1.00 47.91 N ATOM 1536 CA LEU A 707 8.969 2.706 25.176 1.00 47.25 C ATOM 1537 C LEU A 707 9.320 1.351 25.777 1.00 46.83 C ATOM 1538 O LEU A 707 10.071 0.569 25.186 1.00 44.23 O ATOM 1539 CB LEU A 707 7.631 2.631 24.445 1.00 45.40 C ATOM 1540 CG LEU A 707 6.873 3.957 24.331 1.00 44.44 C ATOM 1541 CD1 LEU A 707 5.593 3.775 23.536 1.00 43.23 C ATOM 1542 CD2 LEU A 707 6.571 4.525 25.707 1.00 44.21 C ATOM 1543 H LEU A 707 9.936 2.994 23.244 1.00 0.00 H ATOM 1544 N PRO A 708 8.804 1.049 26.970 1.00 48.29 N ATOM 1545 CA PRO A 708 9.084 -0.253 27.584 1.00 50.28 C ATOM 1546 C PRO A 708 8.508 -1.388 26.750 1.00 48.39 C ATOM 1547 O PRO A 708 7.525 -1.217 26.025 1.00 43.87 O ATOM 1548 CB PRO A 708 8.400 -0.159 28.953 1.00 53.15 C ATOM 1549 CG PRO A 708 8.230 1.305 29.203 1.00 53.64 C ATOM 1550 CD PRO A 708 8.004 1.914 27.855 1.00 47.98 C ATOM 1551 N LYS A 709 9.136 -2.562 26.871 1.00 53.65 N ATOM 1552 CA LYS A 709 8.803 -3.685 25.998 1.00 53.97 C ATOM 1553 C LYS A 709 7.341 -4.098 26.134 1.00 49.19 C ATOM 1554 O LYS A 709 6.702 -4.463 25.142 1.00 47.29 O ATOM 1555 CB LYS A 709 9.720 -4.871 26.299 1.00 61.95 C ATOM 1556 H LYS A 709 9.872 -2.677 27.597 1.00 0.00 H ATOM 1557 N ASP A 710 6.791 -4.045 27.351 1.00 50.09 N ATOM 1558 CA ASP A 710 5.421 -4.510 27.562 1.00 52.73 C ATOM 1559 C ASP A 710 4.408 -3.606 26.866 1.00 47.29 C ATOM 1560 O ASP A 710 3.372 -4.080 26.382 1.00 45.73 O ATOM 1561 CB ASP A 710 5.122 -4.612 29.059 1.00 63.79 C ATOM 1562 CG ASP A 710 5.488 -3.351 29.817 1.00 73.31 C ATOM 1563 OD1 ASP A 710 6.532 -2.743 29.497 1.00 76.78 O ATOM 1564 OD2 ASP A 710 4.733 -2.971 30.737 1.00 77.37 O ATOM 1565 H ASP A 710 7.340 -3.671 28.151 1.00 0.00 H ATOM 1566 N ILE A 711 4.682 -2.301 26.806 1.00 45.61 N ATOM 1567 CA ILE A 711 3.818 -1.407 26.041 1.00 44.28 C ATOM 1568 C ILE A 711 3.892 -1.743 24.556 1.00 42.58 C ATOM 1569 O ILE A 711 2.869 -1.778 23.860 1.00 41.93 O ATOM 1570 CB ILE A 711 4.191 0.064 26.306 1.00 46.51 C ATOM 1571 CG1 ILE A 711 4.041 0.401 27.789 1.00 51.17 C ATOM 1572 CG2 ILE A 711 3.325 0.993 25.466 1.00 43.09 C ATOM 1573 CD1 ILE A 711 2.613 0.383 28.277 1.00 52.60 C ATOM 1574 H ILE A 711 5.512 -1.921 27.305 1.00 0.00 H ATOM 1575 N LEU A 712 5.101 -1.993 24.047 1.00 43.56 N ATOM 1576 CA LEU A 712 5.259 -2.414 22.659 1.00 40.78 C ATOM 1577 C LEU A 712 4.448 -3.670 22.370 1.00 37.10 C ATOM 1578 O LEU A 712 3.730 -3.744 21.368 1.00 35.66 O ATOM 1579 CB LEU A 712 6.739 -2.649 22.348 1.00 43.64 C ATOM 1580 CG LEU A 712 7.462 -1.565 21.549 1.00 47.08 C ATOM 1581 CD1 LEU A 712 7.292 -0.204 22.204 1.00 49.02 C ATOM 1582 CD2 LEU A 712 8.936 -1.908 21.397 1.00 49.55 C ATOM 1583 H LEU A 712 5.942 -1.886 24.649 1.00 0.00 H ATOM 1584 N GLN A 713 4.546 -4.669 23.249 1.00 35.78 N ATOM 1585 CA GLN A 713 3.827 -5.918 23.017 1.00 38.05 C ATOM 1586 C GLN A 713 2.321 -5.705 23.085 1.00 38.53 C ATOM 1587 O GLN A 713 1.570 -6.299 22.303 1.00 36.31 O ATOM 1588 CB GLN A 713 4.278 -6.979 24.020 1.00 42.73 C ATOM 1589 CG GLN A 713 5.683 -7.496 23.756 1.00 47.14 C ATOM 1590 CD GLN A 713 6.138 -8.525 24.769 1.00 54.60 C ATOM 1591 OE1 GLN A 713 5.342 -9.037 25.560 1.00 56.84 O ATOM 1592 NE2 GLN A 713 7.430 -8.833 24.752 1.00 57.77 N ATOM 1593 HE22 GLN A 713 8.065 -8.376 24.067 1.00 0.00 H ATOM 1594 HE21 GLN A 713 7.807 -9.532 25.424 1.00 0.00 H ATOM 1595 H GLN A 713 5.135 -4.558 24.099 1.00 0.00 H ATOM 1596 N GLU A 714 1.861 -4.845 23.998 1.00 36.58 N ATOM 1597 CA GLU A 714 0.438 -4.530 24.063 1.00 38.65 C ATOM 1598 C GLU A 714 -0.054 -3.872 22.777 1.00 38.64 C ATOM 1599 O GLU A 714 -1.247 -3.946 22.461 1.00 40.56 O ATOM 1600 CB GLU A 714 0.155 -3.623 25.268 1.00 35.59 C ATOM 1601 H GLU A 714 2.521 -4.398 24.666 1.00 0.00 H ATOM 1602 N ARG A 715 0.839 -3.224 22.030 1.00 35.07 N ATOM 1603 CA ARG A 715 0.473 -2.524 20.805 1.00 33.13 C ATOM 1604 C ARG A 715 0.529 -3.406 19.563 1.00 33.95 C ATOM 1605 O ARG A 715 0.313 -2.906 18.454 1.00 30.88 O ATOM 1606 CB ARG A 715 1.373 -1.306 20.603 1.00 33.75 C ATOM 1607 CG ARG A 715 1.139 -0.195 21.619 1.00 38.12 C ATOM 1608 CD ARG A 715 1.924 1.028 21.213 1.00 41.01 C ATOM 1609 NE ARG A 715 1.702 2.157 22.104 1.00 41.71 N ATOM 1610 CZ ARG A 715 2.174 3.376 21.878 1.00 40.53 C ATOM 1611 NH1 ARG A 715 2.888 3.609 20.784 1.00 34.42 N ATOM 1612 NH2 ARG A 715 1.935 4.357 22.742 1.00 39.68 N ATOM 1613 HE ARG A 715 1.142 1.999 22.966 1.00 0.00 H ATOM 1614 HH12 ARG A 715 3.261 4.562 20.600 1.00 0.00 H ATOM 1615 HH11 ARG A 715 3.074 2.839 20.111 1.00 0.00 H ATOM 1616 HH22 ARG A 715 2.307 5.311 22.561 1.00 0.00 H ATOM 1617 HH21 ARG A 715 1.376 4.170 23.599 1.00 0.00 H ATOM 1618 H ARG A 715 1.834 -3.217 22.332 1.00 0.00 H ATOM 1619 N ILE A 716 0.837 -4.689 19.714 1.00 34.30 N ATOM 1620 CA ILE A 716 0.587 -5.617 18.606 1.00 32.44 C ATOM 1621 C ILE A 716 -0.910 -5.625 18.320 1.00 31.07 C ATOM 1622 O ILE A 716 -1.720 -5.639 19.273 1.00 31.04 O ATOM 1623 CB ILE A 716 1.101 -7.024 18.966 1.00 32.19 C ATOM 1624 CG1 ILE A 716 2.620 -6.998 19.158 1.00 32.21 C ATOM 1625 CG2 ILE A 716 0.707 -8.056 17.920 1.00 31.42 C ATOM 1626 CD1 ILE A 716 3.201 -8.315 19.622 1.00 32.48 C ATOM 1627 H ILE A 716 1.250 -5.031 20.605 1.00 0.00 H ATOM 1628 N PRO A 717 -1.354 -5.608 17.052 1.00 28.15 N ATOM 1629 CA PRO A 717 -0.553 -5.665 15.825 1.00 26.22 C ATOM 1630 C PRO A 717 -0.360 -4.338 15.074 1.00 28.60 C ATOM 1631 O PRO A 717 -0.240 -4.359 13.847 1.00 28.11 O ATOM 1632 CB PRO A 717 -1.353 -6.641 14.969 1.00 27.88 C ATOM 1633 CG PRO A 717 -2.783 -6.313 15.318 1.00 27.82 C ATOM 1634 CD PRO A 717 -2.783 -5.820 16.764 1.00 28.14 C ATOM 1635 N TRP A 718 -0.330 -3.208 15.783 1.00 28.41 N ATOM 1636 CA TRP A 718 0.065 -1.964 15.125 1.00 30.71 C ATOM 1637 C TRP A 718 1.580 -1.876 15.008 1.00 30.10 C ATOM 1638 O TRP A 718 2.104 -1.464 13.968 1.00 27.18 O ATOM 1639 CB TRP A 718 -0.476 -0.752 15.885 1.00 28.28 C ATOM 1640 CG TRP A 718 -1.969 -0.636 15.875 1.00 27.96 C ATOM 1641 CD1 TRP A 718 -2.731 0.072 14.992 1.00 26.41 C ATOM 1642 CD2 TRP A 718 -2.882 -1.254 16.789 1.00 27.32 C ATOM 1643 NE1 TRP A 718 -4.063 -0.060 15.304 1.00 25.21 N ATOM 1644 CE2 TRP A 718 -4.183 -0.874 16.399 1.00 27.89 C ATOM 1645 CE3 TRP A 718 -2.726 -2.087 17.900 1.00 30.57 C ATOM 1646 CZ2 TRP A 718 -5.322 -1.295 17.085 1.00 27.49 C ATOM 1647 CZ3 TRP A 718 -3.858 -2.506 18.581 1.00 33.72 C ATOM 1648 CH2 TRP A 718 -5.139 -2.107 18.172 1.00 32.82 C ATOM 1649 HE1 TRP A 718 -4.851 0.385 14.792 1.00 0.00 H ATOM 1650 H TRP A 718 -0.585 -3.212 16.791 1.00 0.00 H ATOM 1651 N VAL A 719 2.290 -2.267 16.060 1.00 31.67 N ATOM 1652 CA VAL A 719 3.747 -2.333 16.042 1.00 32.68 C ATOM 1653 C VAL A 719 4.151 -3.540 15.203 1.00 31.68 C ATOM 1654 O VAL A 719 3.751 -4.671 15.511 1.00 32.65 O ATOM 1655 CB VAL A 719 4.316 -2.412 17.467 1.00 33.71 C ATOM 1656 CG1 VAL A 719 5.804 -2.682 17.426 1.00 33.28 C ATOM 1657 CG2 VAL A 719 4.032 -1.111 18.217 1.00 34.82 C ATOM 1658 H VAL A 719 1.788 -2.536 16.930 1.00 0.00 H ATOM 1659 N PRO A 720 4.939 -3.348 14.148 1.00 34.28 N ATOM 1660 CA PRO A 720 5.231 -4.450 13.219 1.00 32.59 C ATOM 1661 C PRO A 720 6.183 -5.455 13.835 1.00 35.64 C ATOM 1662 O PRO A 720 6.879 -5.145 14.815 1.00 40.76 O ATOM 1663 CB PRO A 720 5.873 -3.733 12.020 1.00 34.73 C ATOM 1664 CG PRO A 720 6.475 -2.515 12.601 1.00 35.90 C ATOM 1665 CD PRO A 720 5.566 -2.086 13.725 1.00 31.28 C ATOM 1666 N PRO A 721 6.250 -6.672 13.283 1.00 33.11 N ATOM 1667 CA PRO A 721 7.086 -7.721 13.895 1.00 34.37 C ATOM 1668 C PRO A 721 8.538 -7.328 14.098 1.00 34.81 C ATOM 1669 O PRO A 721 9.114 -7.629 15.151 1.00 36.20 O ATOM 1670 CB PRO A 721 6.959 -8.887 12.901 1.00 34.82 C ATOM 1671 CG PRO A 721 5.671 -8.660 12.215 1.00 34.90 C ATOM 1672 CD PRO A 721 5.503 -7.168 12.115 1.00 32.95 C ATOM 1673 N GLU A 722 9.151 -6.664 13.119 1.00 34.35 N ATOM 1674 CA GLU A 722 10.571 -6.357 13.223 1.00 37.41 C ATOM 1675 C GLU A 722 10.860 -5.336 14.314 1.00 37.09 C ATOM 1676 O GLU A 722 11.989 -5.283 14.814 1.00 40.91 O ATOM 1677 CB GLU A 722 11.111 -5.860 11.876 1.00 37.46 C ATOM 1678 CG GLU A 722 10.584 -4.494 11.432 1.00 37.59 C ATOM 1679 CD GLU A 722 9.250 -4.569 10.702 1.00 35.84 C ATOM 1680 OE1 GLU A 722 8.600 -5.632 10.746 1.00 35.09 O ATOM 1681 OE2 GLU A 722 8.849 -3.560 10.080 1.00 34.74 O ATOM 1682 H GLU A 722 8.615 -6.365 12.280 1.00 0.00 H ATOM 1683 N CYS A 723 9.874 -4.523 14.693 1.00 34.67 N ATOM 1684 CA CYS A 723 10.072 -3.613 15.813 1.00 36.62 C ATOM 1685 C CYS A 723 9.890 -4.322 17.148 1.00 38.64 C ATOM 1686 O CYS A 723 10.489 -3.913 18.149 1.00 39.66 O ATOM 1687 CB CYS A 723 9.119 -2.424 15.707 1.00 36.56 C ATOM 1688 SG CYS A 723 9.501 -1.308 14.337 1.00 40.78 S ATOM 1689 H CYS A 723 8.964 -4.538 14.189 1.00 0.00 H ATOM 1690 N ILE A 724 9.069 -5.374 17.184 1.00 38.87 N ATOM 1691 CA ILE A 724 9.012 -6.222 18.370 1.00 40.81 C ATOM 1692 C ILE A 724 10.328 -6.966 18.542 1.00 47.13 C ATOM 1693 O ILE A 724 10.820 -7.138 19.664 1.00 52.30 O ATOM 1694 CB ILE A 724 7.817 -7.189 18.284 1.00 36.97 C ATOM 1695 CG1 ILE A 724 6.497 -6.417 18.276 1.00 34.40 C ATOM 1696 CG2 ILE A 724 7.834 -8.165 19.450 1.00 39.73 C ATOM 1697 CD1 ILE A 724 6.235 -5.644 19.551 1.00 33.73 C ATOM 1698 H ILE A 724 8.468 -5.590 16.363 1.00 0.00 H ATOM 1699 N GLU A 725 10.927 -7.411 17.434 1.00 45.11 N ATOM 1700 CA GLU A 725 12.231 -8.062 17.514 1.00 44.13 C ATOM 1701 C GLU A 725 13.315 -7.074 17.931 1.00 44.59 C ATOM 1702 O GLU A 725 14.203 -7.415 18.720 1.00 46.35 O ATOM 1703 CB GLU A 725 12.578 -8.707 16.172 1.00 43.07 C ATOM 1704 H GLU A 725 10.463 -7.293 16.511 1.00 0.00 H ATOM 1705 N ASN A 726 13.258 -5.847 17.414 1.00 42.53 N ATOM 1706 CA ASN A 726 14.215 -4.801 17.752 1.00 43.52 C ATOM 1707 C ASN A 726 13.554 -3.446 17.534 1.00 43.37 C ATOM 1708 O ASN A 726 13.233 -3.092 16.393 1.00 42.55 O ATOM 1709 CB ASN A 726 15.488 -4.926 16.907 1.00 45.07 C ATOM 1710 CG ASN A 726 16.609 -4.009 17.384 1.00 48.80 C ATOM 1711 OD1 ASN A 726 16.370 -3.006 18.057 1.00 50.59 O ATOM 1712 ND2 ASN A 726 17.840 -4.349 17.024 1.00 51.45 N ATOM 1713 HD22 ASN A 726 17.998 -5.205 16.455 1.00 0.00 H ATOM 1714 HD21 ASN A 726 18.647 -3.759 17.311 1.00 0.00 H ATOM 1715 H ASN A 726 12.497 -5.626 16.740 1.00 0.00 H ATOM 1716 N PRO A 727 13.328 -2.665 18.594 1.00 44.07 N ATOM 1717 CA PRO A 727 12.652 -1.371 18.409 1.00 43.13 C ATOM 1718 C PRO A 727 13.456 -0.383 17.584 1.00 46.54 C ATOM 1719 O PRO A 727 12.866 0.523 16.983 1.00 47.19 O ATOM 1720 CB PRO A 727 12.445 -0.870 19.846 1.00 42.07 C ATOM 1721 CG PRO A 727 12.570 -2.091 20.703 1.00 44.12 C ATOM 1722 CD PRO A 727 13.575 -2.960 20.014 1.00 45.09 C ATOM 1723 N LYS A 728 14.782 -0.524 17.535 1.00 52.40 N ATOM 1724 CA LYS A 728 15.596 0.318 16.666 1.00 55.41 C ATOM 1725 C LYS A 728 15.407 -0.003 15.189 1.00 54.73 C ATOM 1726 O LYS A 728 16.007 0.673 14.346 1.00 56.41 O ATOM 1727 CB LYS A 728 17.073 0.187 17.043 1.00 59.77 C ATOM 1728 H LYS A 728 15.242 -1.246 18.126 1.00 0.00 H ATOM 1729 N ASN A 729 14.603 -1.012 14.856 1.00 52.21 N ATOM 1730 CA ASN A 729 14.238 -1.304 13.476 1.00 50.88 C ATOM 1731 C ASN A 729 13.158 -0.371 12.948 1.00 48.41 C ATOM 1732 O ASN A 729 12.646 -0.605 11.846 1.00 46.84 O ATOM 1733 CB ASN A 729 13.769 -2.757 13.343 1.00 50.23 C ATOM 1734 CG ASN A 729 14.920 -3.736 13.192 1.00 52.95 C ATOM 1735 OD1 ASN A 729 16.015 -3.364 12.768 1.00 54.93 O ATOM 1736 ND2 ASN A 729 14.672 -5.000 13.525 1.00 52.48 N ATOM 1737 HD22 ASN A 729 13.732 -5.270 13.879 1.00 0.00 H ATOM 1738 HD21 ASN A 729 15.418 -5.718 13.431 1.00 0.00 H ATOM 1739 H ASN A 729 14.221 -1.616 15.612 1.00 0.00 H ATOM 1740 N LEU A 730 12.797 0.664 13.707 1.00 48.10 N ATOM 1741 CA LEU A 730 11.801 1.623 13.248 1.00 45.66 C ATOM 1742 C LEU A 730 12.246 2.226 11.923 1.00 45.56 C ATOM 1743 O LEU A 730 13.386 2.676 11.782 1.00 50.12 O ATOM 1744 CB LEU A 730 11.586 2.714 14.299 1.00 45.99 C ATOM 1745 CG LEU A 730 10.507 3.757 13.995 1.00 43.67 C ATOM 1746 CD1 LEU A 730 9.145 3.111 13.832 1.00 39.08 C ATOM 1747 CD2 LEU A 730 10.462 4.813 15.084 1.00 47.61 C ATOM 1748 H LEU A 730 13.234 0.789 14.643 1.00 0.00 H ATOM 1749 N ASN A 731 11.343 2.216 10.947 1.00 42.95 N ATOM 1750 CA ASN A 731 11.713 2.436 9.556 1.00 45.00 C ATOM 1751 C ASN A 731 10.500 2.993 8.824 1.00 40.94 C ATOM 1752 O ASN A 731 9.414 3.116 9.393 1.00 41.61 O ATOM 1753 CB ASN A 731 12.205 1.126 8.926 1.00 54.79 C ATOM 1754 CG ASN A 731 12.983 1.342 7.653 1.00 67.19 C ATOM 1755 OD1 ASN A 731 12.422 1.307 6.556 1.00 71.17 O ATOM 1756 ND2 ASN A 731 14.288 1.557 7.786 1.00 73.60 N ATOM 1757 HD22 ASN A 731 14.718 1.578 8.733 1.00 0.00 H ATOM 1758 HD21 ASN A 731 14.879 1.704 6.943 1.00 0.00 H ATOM 1759 H ASN A 731 10.345 2.046 11.184 1.00 0.00 H ATOM 1760 N LEU A 732 10.693 3.334 7.548 1.00 38.65 N ATOM 1761 CA LEU A 732 9.559 3.758 6.732 1.00 36.33 C ATOM 1762 C LEU A 732 8.556 2.622 6.545 1.00 36.99 C ATOM 1763 O LEU A 732 7.341 2.854 6.541 1.00 34.99 O ATOM 1764 CB LEU A 732 10.041 4.285 5.377 1.00 37.85 C ATOM 1765 CG LEU A 732 10.598 5.712 5.341 1.00 40.99 C ATOM 1766 CD1 LEU A 732 11.096 6.075 3.947 1.00 40.39 C ATOM 1767 CD2 LEU A 732 9.547 6.704 5.813 1.00 38.93 C ATOM 1768 H LEU A 732 11.648 3.298 7.137 1.00 0.00 H ATOM 1769 N ALA A 733 9.045 1.383 6.407 1.00 38.75 N ATOM 1770 CA ALA A 733 8.157 0.234 6.211 1.00 36.06 C ATOM 1771 C ALA A 733 7.220 0.020 7.398 1.00 31.67 C ATOM 1772 O ALA A 733 6.102 -0.509 7.233 1.00 33.31 O ATOM 1773 CB ALA A 733 8.991 -1.023 5.964 1.00 37.01 C ATOM 1774 H ALA A 733 10.074 1.234 6.440 1.00 0.00 H ATOM 1775 N THR A 734 7.671 0.411 8.596 1.00 34.30 N ATOM 1776 CA THR A 734 6.831 0.370 9.790 1.00 32.27 C ATOM 1777 C THR A 734 5.453 0.957 9.514 1.00 33.15 C ATOM 1778 O THR A 734 4.420 0.330 9.796 1.00 31.30 O ATOM 1779 CB THR A 734 7.508 1.145 10.927 1.00 37.28 C ATOM 1780 OG1 THR A 734 8.709 0.476 11.334 1.00 42.37 O ATOM 1781 CG2 THR A 734 6.561 1.304 12.120 1.00 34.91 C ATOM 1782 HG1 THR A 734 9.330 0.418 10.565 1.00 0.00 H ATOM 1783 H THR A 734 8.649 0.754 8.679 1.00 0.00 H ATOM 1784 N ASP A 735 5.426 2.168 8.950 1.00 29.29 N ATOM 1785 CA ASP A 735 4.165 2.868 8.753 1.00 27.62 C ATOM 1786 C ASP A 735 3.292 2.171 7.721 1.00 25.40 C ATOM 1787 O ASP A 735 2.066 2.311 7.758 1.00 25.50 O ATOM 1788 CB ASP A 735 4.433 4.324 8.359 1.00 28.96 C ATOM 1789 CG ASP A 735 4.953 5.158 9.529 1.00 31.10 C ATOM 1790 OD1 ASP A 735 4.665 4.792 10.686 1.00 32.80 O ATOM 1791 OD2 ASP A 735 5.645 6.174 9.299 1.00 35.56 O ATOM 1792 H ASP A 735 6.315 2.615 8.649 1.00 0.00 H ATOM 1793 N LYS A 736 3.892 1.423 6.794 1.00 23.26 N ATOM 1794 CA LYS A 736 3.080 0.648 5.865 1.00 21.11 C ATOM 1795 C LYS A 736 2.360 -0.478 6.598 1.00 26.03 C ATOM 1796 O LYS A 736 1.144 -0.674 6.423 1.00 22.89 O ATOM 1797 CB LYS A 736 3.955 0.105 4.734 1.00 25.67 C ATOM 1798 CG LYS A 736 4.612 1.199 3.875 1.00 26.70 C ATOM 1799 CD LYS A 736 5.689 0.614 2.979 1.00 34.85 C ATOM 1800 CE LYS A 736 6.183 1.617 1.931 1.00 37.88 C ATOM 1801 NZ LYS A 736 6.822 2.811 2.550 1.00 36.96 N ATOM 1802 HZ1 LYS A 736 6.132 3.295 3.160 1.00 0.00 H ATOM 1803 HZ2 LYS A 736 7.639 2.510 3.119 1.00 0.00 H ATOM 1804 HZ3 LYS A 736 7.140 3.460 1.802 1.00 0.00 H ATOM 1805 H LYS A 736 4.930 1.393 6.735 1.00 0.00 H ATOM 1806 N TRP A 737 3.085 -1.201 7.458 1.00 24.38 N ATOM 1807 CA TRP A 737 2.423 -2.218 8.276 1.00 24.87 C ATOM 1808 C TRP A 737 1.287 -1.612 9.100 1.00 25.14 C ATOM 1809 O TRP A 737 0.130 -2.070 9.038 1.00 24.00 O ATOM 1810 CB TRP A 737 3.445 -2.903 9.184 1.00 27.88 C ATOM 1811 CG TRP A 737 2.836 -3.919 10.106 1.00 29.17 C ATOM 1812 CD1 TRP A 737 2.099 -3.672 11.232 1.00 30.15 C ATOM 1813 CD2 TRP A 737 2.916 -5.342 9.985 1.00 29.97 C ATOM 1814 NE1 TRP A 737 1.714 -4.854 11.815 1.00 29.27 N ATOM 1815 CE2 TRP A 737 2.201 -5.894 11.069 1.00 32.17 C ATOM 1816 CE3 TRP A 737 3.523 -6.204 9.068 1.00 30.05 C ATOM 1817 CZ2 TRP A 737 2.076 -7.267 11.259 1.00 31.58 C ATOM 1818 CZ3 TRP A 737 3.396 -7.567 9.255 1.00 31.68 C ATOM 1819 CH2 TRP A 737 2.676 -8.087 10.339 1.00 31.50 C ATOM 1820 HE1 TRP A 737 1.146 -4.945 12.681 1.00 0.00 H ATOM 1821 H TRP A 737 4.109 -1.042 7.545 1.00 0.00 H ATOM 1822 N SER A 738 1.603 -0.575 9.885 1.00 22.61 N ATOM 1823 CA SER A 738 0.601 0.031 10.757 1.00 23.72 C ATOM 1824 C SER A 738 -0.571 0.594 9.965 1.00 26.14 C ATOM 1825 O SER A 738 -1.709 0.582 10.447 1.00 24.37 O ATOM 1826 CB SER A 738 1.241 1.130 11.605 1.00 26.18 C ATOM 1827 OG SER A 738 2.361 0.624 12.310 1.00 28.69 O ATOM 1828 HG SER A 738 2.070 -0.113 12.904 1.00 0.00 H ATOM 1829 H SER A 738 2.572 -0.197 9.874 1.00 0.00 H ATOM 1830 N PHE A 739 -0.313 1.102 8.758 1.00 23.09 N ATOM 1831 CA PHE A 739 -1.401 1.522 7.885 1.00 21.97 C ATOM 1832 C PHE A 739 -2.324 0.354 7.565 1.00 23.85 C ATOM 1833 O PHE A 739 -3.551 0.513 7.537 1.00 25.25 O ATOM 1834 CB PHE A 739 -0.832 2.131 6.602 1.00 22.55 C ATOM 1835 CG PHE A 739 -1.869 2.456 5.563 1.00 25.28 C ATOM 1836 CD1 PHE A 739 -2.514 3.682 5.562 1.00 28.59 C ATOM 1837 CD2 PHE A 739 -2.178 1.544 4.567 1.00 27.00 C ATOM 1838 CE1 PHE A 739 -3.460 3.987 4.594 1.00 28.85 C ATOM 1839 CE2 PHE A 739 -3.119 1.838 3.601 1.00 26.49 C ATOM 1840 CZ PHE A 739 -3.763 3.059 3.612 1.00 27.80 C ATOM 1841 H PHE A 739 0.672 1.199 8.438 1.00 0.00 H ATOM 1842 N GLY A 740 -1.756 -0.830 7.311 1.00 21.19 N ATOM 1843 CA GLY A 740 -2.611 -1.994 7.123 1.00 23.68 C ATOM 1844 C GLY A 740 -3.495 -2.257 8.331 1.00 26.55 C ATOM 1845 O GLY A 740 -4.714 -2.450 8.201 1.00 24.82 O ATOM 1846 H GLY A 740 -0.722 -0.918 7.249 1.00 0.00 H ATOM 1847 N THR A 741 -2.903 -2.230 9.532 1.00 27.27 N ATOM 1848 CA THR A 741 -3.701 -2.448 10.740 1.00 27.10 C ATOM 1849 C THR A 741 -4.804 -1.399 10.872 1.00 27.80 C ATOM 1850 O THR A 741 -5.938 -1.709 11.269 1.00 24.34 O ATOM 1851 CB THR A 741 -2.796 -2.435 11.972 1.00 28.55 C ATOM 1852 OG1 THR A 741 -1.652 -3.264 11.729 1.00 29.83 O ATOM 1853 CG2 THR A 741 -3.551 -2.946 13.212 1.00 27.28 C ATOM 1854 HG1 THR A 741 -1.065 -3.256 12.526 1.00 0.00 H ATOM 1855 H THR A 741 -1.881 -2.055 9.606 1.00 0.00 H ATOM 1856 N THR A 742 -4.495 -0.155 10.512 1.00 24.66 N ATOM 1857 CA THR A 742 -5.479 0.913 10.633 1.00 24.80 C ATOM 1858 C THR A 742 -6.626 0.716 9.655 1.00 22.85 C ATOM 1859 O THR A 742 -7.786 0.976 9.991 1.00 24.75 O ATOM 1860 CB THR A 742 -4.803 2.263 10.410 1.00 27.02 C ATOM 1861 OG1 THR A 742 -3.737 2.416 11.357 1.00 22.19 O ATOM 1862 CG2 THR A 742 -5.811 3.393 10.573 1.00 29.93 C ATOM 1863 HG1 THR A 742 -3.078 1.688 11.231 1.00 0.00 H ATOM 1864 H THR A 742 -3.546 0.056 10.142 1.00 0.00 H ATOM 1865 N LEU A 743 -6.323 0.261 8.439 1.00 23.54 N ATOM 1866 CA LEU A 743 -7.383 -0.108 7.506 1.00 26.09 C ATOM 1867 C LEU A 743 -8.276 -1.191 8.089 1.00 25.98 C ATOM 1868 O LEU A 743 -9.505 -1.142 7.937 1.00 24.93 O ATOM 1869 CB LEU A 743 -6.787 -0.587 6.183 1.00 27.73 C ATOM 1870 CG LEU A 743 -6.153 0.437 5.255 1.00 35.75 C ATOM 1871 CD1 LEU A 743 -5.869 -0.254 3.941 1.00 39.55 C ATOM 1872 CD2 LEU A 743 -7.064 1.632 5.062 1.00 37.30 C ATOM 1873 H LEU A 743 -5.327 0.169 8.154 1.00 0.00 H ATOM 1874 N TRP A 744 -7.674 -2.195 8.737 1.00 26.11 N ATOM 1875 CA TRP A 744 -8.483 -3.210 9.408 1.00 28.37 C ATOM 1876 C TRP A 744 -9.432 -2.569 10.418 1.00 29.17 C ATOM 1877 O TRP A 744 -10.621 -2.917 10.475 1.00 30.54 O ATOM 1878 CB TRP A 744 -7.578 -4.237 10.086 1.00 26.26 C ATOM 1879 CG TRP A 744 -8.293 -5.481 10.548 1.00 29.62 C ATOM 1880 CD1 TRP A 744 -8.356 -6.682 9.898 1.00 34.04 C ATOM 1881 CD2 TRP A 744 -9.040 -5.643 11.761 1.00 34.15 C ATOM 1882 NE1 TRP A 744 -9.098 -7.578 10.630 1.00 33.45 N ATOM 1883 CE2 TRP A 744 -9.525 -6.967 11.780 1.00 33.21 C ATOM 1884 CE3 TRP A 744 -9.339 -4.799 12.836 1.00 29.69 C ATOM 1885 CZ2 TRP A 744 -10.299 -7.465 12.827 1.00 32.88 C ATOM 1886 CZ3 TRP A 744 -10.110 -5.296 13.875 1.00 31.26 C ATOM 1887 CH2 TRP A 744 -10.580 -6.615 13.861 1.00 34.81 C ATOM 1888 HE1 TRP A 744 -9.302 -8.560 10.356 1.00 0.00 H ATOM 1889 H TRP A 744 -6.636 -2.253 8.763 1.00 0.00 H ATOM 1890 N GLU A 745 -8.928 -1.615 11.211 1.00 27.21 N ATOM 1891 CA GLU A 745 -9.789 -0.897 12.150 1.00 28.10 C ATOM 1892 C GLU A 745 -10.940 -0.204 11.430 1.00 32.45 C ATOM 1893 O GLU A 745 -12.109 -0.355 11.807 1.00 32.58 O ATOM 1894 CB GLU A 745 -8.975 0.134 12.928 1.00 28.73 C ATOM 1895 CG GLU A 745 -8.070 -0.422 14.001 1.00 29.85 C ATOM 1896 CD GLU A 745 -7.325 0.686 14.725 1.00 32.40 C ATOM 1897 OE1 GLU A 745 -6.340 1.211 14.157 1.00 29.50 O ATOM 1898 OE2 GLU A 745 -7.743 1.053 15.845 1.00 29.21 O ATOM 1899 H GLU A 745 -7.916 -1.383 11.159 1.00 0.00 H ATOM 1900 N ILE A 746 -10.617 0.583 10.399 1.00 28.03 N ATOM 1901 CA ILE A 746 -11.622 1.344 9.658 1.00 29.52 C ATOM 1902 C ILE A 746 -12.704 0.423 9.107 1.00 32.98 C ATOM 1903 O ILE A 746 -13.894 0.768 9.101 1.00 34.02 O ATOM 1904 CB ILE A 746 -10.937 2.155 8.538 1.00 29.69 C ATOM 1905 CG1 ILE A 746 -10.114 3.300 9.135 1.00 28.08 C ATOM 1906 CG2 ILE A 746 -11.957 2.670 7.538 1.00 31.81 C ATOM 1907 CD1 ILE A 746 -9.228 4.005 8.131 1.00 28.89 C ATOM 1908 H ILE A 746 -9.619 0.656 10.115 1.00 0.00 H ATOM 1909 N CYS A 747 -12.313 -0.771 8.653 1.00 29.24 N ATOM 1910 CA CYS A 747 -13.267 -1.728 8.109 1.00 35.16 C ATOM 1911 C CYS A 747 -14.010 -2.521 9.174 1.00 38.60 C ATOM 1912 O CYS A 747 -15.019 -3.156 8.851 1.00 39.66 O ATOM 1913 CB CYS A 747 -12.557 -2.704 7.173 1.00 36.84 C ATOM 1914 SG CYS A 747 -12.037 -1.959 5.634 1.00 37.69 S ATOM 1915 H CYS A 747 -11.305 -1.023 8.689 1.00 0.00 H ATOM 1916 N SER A 748 -13.543 -2.514 10.424 1.00 38.36 N ATOM 1917 CA SER A 748 -14.127 -3.357 11.462 1.00 39.12 C ATOM 1918 C SER A 748 -14.981 -2.576 12.456 1.00 43.36 C ATOM 1919 O SER A 748 -15.155 -3.018 13.595 1.00 40.67 O ATOM 1920 CB SER A 748 -13.026 -4.121 12.193 1.00 37.35 C ATOM 1921 OG SER A 748 -12.323 -4.963 11.297 1.00 35.55 O ATOM 1922 HG SER A 748 -12.952 -5.613 10.895 1.00 0.00 H ATOM 1923 H SER A 748 -12.744 -1.893 10.664 1.00 0.00 H ATOM 1924 N GLY A 749 -15.518 -1.427 12.051 1.00 49.48 N ATOM 1925 CA GLY A 749 -16.415 -0.672 12.904 1.00 54.01 C ATOM 1926 C GLY A 749 -15.823 -0.199 14.211 1.00 56.24 C ATOM 1927 O GLY A 749 -16.566 0.029 15.169 1.00 58.41 O ATOM 1928 H GLY A 749 -15.289 -1.064 11.104 1.00 0.00 H ATOM 1929 N GLY A 750 -14.505 -0.043 14.283 1.00 53.18 N ATOM 1930 CA GLY A 750 -13.864 0.387 15.505 1.00 52.92 C ATOM 1931 C GLY A 750 -13.425 -0.728 16.430 1.00 50.26 C ATOM 1932 O GLY A 750 -12.905 -0.437 17.515 1.00 49.93 O ATOM 1933 H GLY A 750 -13.923 -0.234 13.443 1.00 0.00 H ATOM 1934 N ASP A 751 -13.628 -1.989 16.050 1.00 45.34 N ATOM 1935 CA ASP A 751 -13.069 -3.093 16.816 1.00 43.13 C ATOM 1936 C ASP A 751 -11.545 -3.019 16.798 1.00 36.75 C ATOM 1937 O ASP A 751 -10.932 -2.443 15.895 1.00 31.65 O ATOM 1938 CB ASP A 751 -13.530 -4.438 16.253 1.00 45.80 C ATOM 1939 CG ASP A 751 -15.033 -4.620 16.320 1.00 54.45 C ATOM 1940 OD1 ASP A 751 -15.675 -3.962 17.164 1.00 59.39 O ATOM 1941 OD2 ASP A 751 -15.572 -5.426 15.530 1.00 57.55 O ATOM 1942 H ASP A 751 -14.191 -2.186 15.198 1.00 0.00 H ATOM 1943 N LYS A 752 -10.930 -3.611 17.816 1.00 37.04 N ATOM 1944 CA LYS A 752 -9.483 -3.604 17.943 1.00 30.97 C ATOM 1945 C LYS A 752 -8.949 -4.983 17.595 1.00 29.48 C ATOM 1946 O LYS A 752 -9.310 -5.964 18.263 1.00 30.85 O ATOM 1947 CB LYS A 752 -9.069 -3.205 19.360 1.00 35.08 C ATOM 1948 CG LYS A 752 -9.494 -1.778 19.756 1.00 35.42 C ATOM 1949 CD LYS A 752 -8.804 -0.736 18.876 1.00 38.75 C ATOM 1950 CE LYS A 752 -9.120 0.697 19.330 1.00 37.34 C ATOM 1951 NZ LYS A 752 -10.517 1.098 19.016 1.00 34.17 N ATOM 1952 HZ1 LYS A 752 -10.669 1.046 17.988 1.00 0.00 H ATOM 1953 HZ2 LYS A 752 -11.178 0.455 19.498 1.00 0.00 H ATOM 1954 HZ3 LYS A 752 -10.678 2.072 19.343 1.00 0.00 H ATOM 1955 H LYS A 752 -11.500 -4.092 18.541 1.00 0.00 H ATOM 1956 N PRO A 753 -8.097 -5.107 16.578 1.00 28.07 N ATOM 1957 CA PRO A 753 -7.603 -6.434 16.189 1.00 29.30 C ATOM 1958 C PRO A 753 -6.836 -7.093 17.324 1.00 29.79 C ATOM 1959 O PRO A 753 -6.024 -6.458 18.001 1.00 28.76 O ATOM 1960 CB PRO A 753 -6.697 -6.133 14.988 1.00 28.40 C ATOM 1961 CG PRO A 753 -6.286 -4.698 15.182 1.00 27.63 C ATOM 1962 CD PRO A 753 -7.474 -4.025 15.795 1.00 24.96 C ATOM 1963 N LEU A 754 -7.113 -8.381 17.532 1.00 29.98 N ATOM 1964 CA LEU A 754 -6.442 -9.224 18.517 1.00 31.50 C ATOM 1965 C LEU A 754 -6.666 -8.751 19.951 1.00 35.17 C ATOM 1966 O LEU A 754 -5.880 -9.087 20.845 1.00 36.16 O ATOM 1967 CB LEU A 754 -4.939 -9.329 18.230 1.00 30.13 C ATOM 1968 CG LEU A 754 -4.508 -9.724 16.807 1.00 32.97 C ATOM 1969 CD1 LEU A 754 -2.998 -9.837 16.729 1.00 31.35 C ATOM 1970 CD2 LEU A 754 -5.165 -11.032 16.367 1.00 29.41 C ATOM 1971 H LEU A 754 -7.859 -8.815 16.952 1.00 0.00 H ATOM 1972 N SER A 755 -7.734 -7.987 20.202 1.00 33.73 N ATOM 1973 CA SER A 755 -7.980 -7.493 21.554 1.00 33.50 C ATOM 1974 C SER A 755 -8.208 -8.630 22.542 1.00 35.07 C ATOM 1975 O SER A 755 -7.955 -8.468 23.741 1.00 37.17 O ATOM 1976 CB SER A 755 -9.181 -6.549 21.566 1.00 33.47 C ATOM 1977 OG SER A 755 -10.360 -7.226 21.173 1.00 36.39 O ATOM 1978 HG SER A 755 -10.535 -7.972 21.800 1.00 0.00 H ATOM 1979 H SER A 755 -8.391 -7.744 19.433 1.00 0.00 H ATOM 1980 N ALA A 756 -8.684 -9.784 22.069 1.00 33.99 N ATOM 1981 CA ALA A 756 -8.900 -10.910 22.970 1.00 36.73 C ATOM 1982 C ALA A 756 -7.610 -11.630 23.336 1.00 37.70 C ATOM 1983 O ALA A 756 -7.639 -12.506 24.204 1.00 40.30 O ATOM 1984 CB ALA A 756 -9.882 -11.909 22.356 1.00 42.61 C ATOM 1985 H ALA A 756 -8.901 -9.880 21.056 1.00 0.00 H ATOM 1986 N LEU A 757 -6.487 -11.286 22.706 1.00 36.04 N ATOM 1987 CA LEU A 757 -5.209 -11.915 23.013 1.00 41.20 C ATOM 1988 C LEU A 757 -4.441 -11.071 24.023 1.00 43.02 C ATOM 1989 O LEU A 757 -4.282 -9.862 23.830 1.00 36.63 O ATOM 1990 CB LEU A 757 -4.373 -12.093 21.744 1.00 35.69 C ATOM 1991 CG LEU A 757 -4.949 -12.950 20.611 1.00 35.14 C ATOM 1992 CD1 LEU A 757 -3.877 -13.238 19.572 1.00 34.44 C ATOM 1993 CD2 LEU A 757 -5.533 -14.250 21.149 1.00 37.78 C ATOM 1994 H LEU A 757 -6.524 -10.548 21.975 1.00 0.00 H ATOM 1995 N ASP A 758 -3.948 -11.708 25.085 1.00 41.15 N ATOM 1996 CA ASP A 758 -3.046 -11.011 25.990 1.00 44.78 C ATOM 1997 C ASP A 758 -1.670 -10.872 25.336 1.00 45.56 C ATOM 1998 O ASP A 758 -1.448 -11.298 24.202 1.00 44.45 O ATOM 1999 CB ASP A 758 -2.973 -11.726 27.339 1.00 46.42 C ATOM 2000 CG ASP A 758 -2.401 -13.131 27.242 1.00 62.87 C ATOM 2001 OD1 ASP A 758 -2.435 -13.736 26.150 1.00 60.68 O ATOM 2002 OD2 ASP A 758 -1.929 -13.640 28.277 1.00 67.06 O ATOM 2003 H ASP A 758 -4.207 -12.699 25.266 1.00 0.00 H ATOM 2004 N SER A 759 -0.729 -10.259 26.059 1.00 49.71 N ATOM 2005 CA SER A 759 0.562 -9.921 25.458 1.00 51.42 C ATOM 2006 C SER A 759 1.308 -11.160 24.975 1.00 51.55 C ATOM 2007 O SER A 759 1.878 -11.163 23.874 1.00 47.95 O ATOM 2008 CB SER A 759 1.417 -9.139 26.455 1.00 56.52 C ATOM 2009 OG SER A 759 1.041 -7.774 26.467 1.00 57.20 O ATOM 2010 HG SER A 759 1.604 -7.284 27.117 1.00 0.00 H ATOM 2011 H SER A 759 -0.915 -10.021 27.054 1.00 0.00 H ATOM 2012 N GLN A 760 1.318 -12.223 25.784 1.00 47.49 N ATOM 2013 CA GLN A 760 2.016 -13.444 25.394 1.00 56.07 C ATOM 2014 C GLN A 760 1.434 -14.030 24.112 1.00 53.02 C ATOM 2015 O GLN A 760 2.178 -14.472 23.227 1.00 51.10 O ATOM 2016 CB GLN A 760 1.956 -14.467 26.531 1.00 53.01 C ATOM 2017 H GLN A 760 0.825 -12.180 26.699 1.00 0.00 H ATOM 2018 N ARG A 761 0.105 -14.032 23.990 1.00 44.98 N ATOM 2019 CA ARG A 761 -0.526 -14.558 22.787 1.00 48.16 C ATOM 2020 C ARG A 761 -0.374 -13.626 21.591 1.00 43.50 C ATOM 2021 O ARG A 761 -0.463 -14.089 20.450 1.00 40.44 O ATOM 2022 CB ARG A 761 -2.003 -14.847 23.056 1.00 42.83 C ATOM 2023 CG ARG A 761 -2.201 -16.049 23.984 1.00 46.30 C ATOM 2024 CD ARG A 761 -3.651 -16.273 24.369 1.00 52.14 C ATOM 2025 NE ARG A 761 -3.814 -17.574 25.021 1.00 57.48 N ATOM 2026 CZ ARG A 761 -4.803 -17.890 25.853 1.00 61.52 C ATOM 2027 NH1 ARG A 761 -5.732 -16.993 26.161 1.00 57.44 N ATOM 2028 NH2 ARG A 761 -4.854 -19.105 26.388 1.00 69.60 N ATOM 2029 HE ARG A 761 -3.103 -18.306 24.819 1.00 0.00 H ATOM 2030 HH12 ARG A 761 -6.503 -17.245 26.812 1.00 0.00 H ATOM 2031 HH11 ARG A 761 -5.689 -16.038 25.751 1.00 0.00 H ATOM 2032 HH22 ARG A 761 -5.626 -19.355 27.039 1.00 0.00 H ATOM 2033 HH21 ARG A 761 -4.122 -19.806 26.156 1.00 0.00 H ATOM 2034 H ARG A 761 -0.485 -13.655 24.759 1.00 0.00 H ATOM 2035 N LYS A 762 -0.154 -12.330 21.817 1.00 39.26 N ATOM 2036 CA LYS A 762 0.160 -11.442 20.700 1.00 36.01 C ATOM 2037 C LYS A 762 1.562 -11.714 20.168 1.00 40.29 C ATOM 2038 O LYS A 762 1.774 -11.795 18.944 1.00 38.55 O ATOM 2039 CB LYS A 762 0.014 -9.984 21.135 1.00 36.06 C ATOM 2040 CG LYS A 762 -1.413 -9.574 21.465 1.00 40.09 C ATOM 2041 CD LYS A 762 -1.555 -8.049 21.571 1.00 45.60 C ATOM 2042 CE LYS A 762 -2.985 -7.638 21.887 1.00 51.91 C ATOM 2043 NZ LYS A 762 -3.263 -6.206 21.541 1.00 53.11 N ATOM 2044 HZ1 LYS A 762 -2.625 -5.589 22.084 1.00 0.00 H ATOM 2045 HZ2 LYS A 762 -3.105 -6.060 20.523 1.00 0.00 H ATOM 2046 HZ3 LYS A 762 -4.250 -5.979 21.776 1.00 0.00 H ATOM 2047 H LYS A 762 -0.206 -11.953 22.785 1.00 0.00 H ATOM 2048 N LEU A 763 2.532 -11.860 21.080 1.00 42.46 N ATOM 2049 CA LEU A 763 3.852 -12.347 20.696 1.00 45.54 C ATOM 2050 C LEU A 763 3.740 -13.628 19.883 1.00 45.36 C ATOM 2051 O LEU A 763 4.291 -13.729 18.781 1.00 42.38 O ATOM 2052 CB LEU A 763 4.713 -12.592 21.936 1.00 51.93 C ATOM 2053 CG LEU A 763 5.532 -11.446 22.529 1.00 55.39 C ATOM 2054 CD1 LEU A 763 6.299 -11.942 23.751 1.00 60.08 C ATOM 2055 CD2 LEU A 763 6.483 -10.866 21.499 1.00 53.65 C ATOM 2056 H LEU A 763 2.341 -11.623 22.075 1.00 0.00 H ATOM 2057 N GLN A 764 3.021 -14.620 20.418 1.00 47.52 N ATOM 2058 CA GLN A 764 2.874 -15.888 19.712 1.00 50.71 C ATOM 2059 C GLN A 764 2.223 -15.689 18.348 1.00 47.44 C ATOM 2060 O GLN A 764 2.568 -16.380 17.381 1.00 47.01 O ATOM 2061 CB GLN A 764 2.067 -16.869 20.560 1.00 56.73 C ATOM 2062 CG GLN A 764 2.221 -18.321 20.130 1.00 64.61 C ATOM 2063 CD GLN A 764 3.675 -18.755 20.023 1.00 71.22 C ATOM 2064 OE1 GLN A 764 4.534 -18.306 20.787 1.00 74.96 O ATOM 2065 NE2 GLN A 764 3.957 -19.631 19.066 1.00 71.36 N ATOM 2066 HE22 GLN A 764 3.201 -19.983 18.444 1.00 0.00 H ATOM 2067 HE21 GLN A 764 4.934 -19.965 18.938 1.00 0.00 H ATOM 2068 H GLN A 764 2.564 -14.487 21.343 1.00 0.00 H ATOM 2069 N PHE A 765 1.284 -14.745 18.253 1.00 41.34 N ATOM 2070 CA PHE A 765 0.666 -14.421 16.973 1.00 39.86 C ATOM 2071 C PHE A 765 1.722 -14.023 15.951 1.00 40.85 C ATOM 2072 O PHE A 765 1.701 -14.489 14.806 1.00 39.35 O ATOM 2073 CB PHE A 765 -0.361 -13.302 17.163 1.00 36.91 C ATOM 2074 CG PHE A 765 -1.040 -12.863 15.893 1.00 37.92 C ATOM 2075 CD1 PHE A 765 -0.493 -11.860 15.107 1.00 34.14 C ATOM 2076 CD2 PHE A 765 -2.243 -13.428 15.505 1.00 38.72 C ATOM 2077 CE1 PHE A 765 -1.123 -11.442 13.950 1.00 33.30 C ATOM 2078 CE2 PHE A 765 -2.880 -13.012 14.347 1.00 33.79 C ATOM 2079 CZ PHE A 765 -2.317 -12.021 13.568 1.00 31.59 C ATOM 2080 H PHE A 765 0.988 -14.231 19.108 1.00 0.00 H ATOM 2081 N TYR A 766 2.669 -13.168 16.350 1.00 40.17 N ATOM 2082 CA TYR A 766 3.751 -12.848 15.419 1.00 39.16 C ATOM 2083 C TYR A 766 4.684 -14.034 15.198 1.00 43.32 C ATOM 2084 O TYR A 766 5.243 -14.186 14.104 1.00 42.64 O ATOM 2085 CB TYR A 766 4.544 -11.639 15.912 1.00 38.62 C ATOM 2086 CG TYR A 766 3.928 -10.306 15.545 1.00 34.13 C ATOM 2087 CD1 TYR A 766 2.830 -10.232 14.697 1.00 30.75 C ATOM 2088 CD2 TYR A 766 4.453 -9.124 16.040 1.00 33.01 C ATOM 2089 CE1 TYR A 766 2.267 -9.015 14.359 1.00 28.41 C ATOM 2090 CE2 TYR A 766 3.899 -7.904 15.710 1.00 32.37 C ATOM 2091 CZ TYR A 766 2.811 -7.852 14.865 1.00 31.06 C ATOM 2092 OH TYR A 766 2.264 -6.626 14.533 1.00 28.78 O ATOM 2093 HH TYR A 766 2.949 -6.071 14.083 1.00 0.00 H ATOM 2094 H TYR A 766 2.637 -12.741 17.298 1.00 0.00 H ATOM 2095 N GLU A 767 4.863 -14.883 16.212 1.00 44.71 N ATOM 2096 CA GLU A 767 5.796 -15.998 16.096 1.00 48.85 C ATOM 2097 C GLU A 767 5.307 -17.040 15.095 1.00 50.42 C ATOM 2098 O GLU A 767 6.121 -17.658 14.400 1.00 50.92 O ATOM 2099 CB GLU A 767 6.021 -16.631 17.473 1.00 51.76 C ATOM 2100 H GLU A 767 4.331 -14.748 17.095 1.00 0.00 H ATOM 2101 N ASP A 768 3.995 -17.241 15.001 1.00 49.81 N ATOM 2102 CA ASP A 768 3.412 -18.169 14.043 1.00 49.80 C ATOM 2103 C ASP A 768 3.076 -17.509 12.709 1.00 48.57 C ATOM 2104 O ASP A 768 2.487 -18.163 11.842 1.00 51.31 O ATOM 2105 CB ASP A 768 2.160 -18.816 14.640 1.00 50.10 C ATOM 2106 CG ASP A 768 2.475 -19.677 15.850 1.00 57.50 C ATOM 2107 OD1 ASP A 768 3.545 -20.323 15.858 1.00 60.97 O ATOM 2108 OD2 ASP A 768 1.659 -19.706 16.796 1.00 59.53 O ATOM 2109 H ASP A 768 3.362 -16.715 15.636 1.00 0.00 H ATOM 2110 N ARG A 769 3.434 -16.236 12.531 1.00 44.63 N ATOM 2111 CA ARG A 769 3.299 -15.543 11.247 1.00 43.72 C ATOM 2112 C ARG A 769 1.848 -15.516 10.774 1.00 41.16 C ATOM 2113 O ARG A 769 1.558 -15.715 9.594 1.00 42.01 O ATOM 2114 CB ARG A 769 4.200 -16.176 10.181 1.00 49.80 C ATOM 2115 CG ARG A 769 5.674 -16.277 10.555 1.00 58.67 C ATOM 2116 CD ARG A 769 6.336 -14.911 10.603 1.00 64.33 C ATOM 2117 NE ARG A 769 7.794 -15.000 10.653 1.00 72.89 N ATOM 2118 CZ ARG A 769 8.596 -14.819 9.607 1.00 76.65 C ATOM 2119 NH1 ARG A 769 8.089 -14.530 8.415 1.00 74.96 N ATOM 2120 NH2 ARG A 769 9.910 -14.923 9.755 1.00 81.01 N ATOM 2121 HE ARG A 769 8.235 -15.220 11.569 1.00 0.00 H ATOM 2122 HH12 ARG A 769 8.721 -14.390 7.601 1.00 0.00 H ATOM 2123 HH11 ARG A 769 7.060 -14.444 8.295 1.00 0.00 H ATOM 2124 HH22 ARG A 769 10.538 -14.782 8.938 1.00 0.00 H ATOM 2125 HH21 ARG A 769 10.312 -15.146 10.688 1.00 0.00 H ATOM 2126 H ARG A 769 3.826 -15.712 13.339 1.00 0.00 H ATOM 2127 N HIS A 770 0.924 -15.281 11.699 1.00 38.51 N ATOM 2128 CA HIS A 770 -0.481 -15.200 11.336 1.00 38.37 C ATOM 2129 C HIS A 770 -0.806 -13.829 10.751 1.00 34.80 C ATOM 2130 O HIS A 770 -0.112 -12.839 10.993 1.00 33.63 O ATOM 2131 CB HIS A 770 -1.379 -15.461 12.549 1.00 41.26 C ATOM 2132 CG HIS A 770 -1.355 -16.876 13.036 1.00 46.92 C ATOM 2133 ND1 HIS A 770 -1.752 -17.942 12.257 1.00 51.25 N ATOM 2134 CD2 HIS A 770 -0.998 -17.398 14.233 1.00 51.69 C ATOM 2135 CE1 HIS A 770 -1.631 -19.060 12.951 1.00 54.28 C ATOM 2136 NE2 HIS A 770 -1.175 -18.758 14.153 1.00 53.07 N ATOM 2137 H HIS A 770 1.208 -15.154 12.691 1.00 0.00 H ATOM 2138 N GLN A 771 -1.888 -13.781 9.983 1.00 33.26 N ATOM 2139 CA GLN A 771 -2.444 -12.541 9.466 1.00 35.85 C ATOM 2140 C GLN A 771 -3.783 -12.264 10.137 1.00 36.01 C ATOM 2141 O GLN A 771 -4.437 -13.167 10.663 1.00 37.18 O ATOM 2142 CB GLN A 771 -2.622 -12.610 7.946 1.00 40.30 C ATOM 2143 CG GLN A 771 -1.370 -13.038 7.188 1.00 41.45 C ATOM 2144 CD GLN A 771 -0.317 -11.938 7.088 1.00 42.66 C ATOM 2145 OE1 GLN A 771 0.836 -12.212 6.742 1.00 43.45 O ATOM 2146 NE2 GLN A 771 -0.709 -10.687 7.377 1.00 36.22 N ATOM 2147 HE22 GLN A 771 -1.691 -10.503 7.664 1.00 0.00 H ATOM 2148 HE21 GLN A 771 -0.030 -9.902 7.313 1.00 0.00 H ATOM 2149 H GLN A 771 -2.361 -14.674 9.739 1.00 0.00 H ATOM 2150 N LEU A 772 -4.186 -10.999 10.122 1.00 32.57 N ATOM 2151 CA LEU A 772 -5.481 -10.647 10.676 1.00 34.56 C ATOM 2152 C LEU A 772 -6.592 -11.271 9.832 1.00 37.50 C ATOM 2153 O LEU A 772 -6.444 -11.423 8.617 1.00 35.88 O ATOM 2154 CB LEU A 772 -5.653 -9.130 10.732 1.00 29.72 C ATOM 2155 CG LEU A 772 -4.711 -8.373 11.667 1.00 28.95 C ATOM 2156 CD1 LEU A 772 -5.013 -6.884 11.639 1.00 26.42 C ATOM 2157 CD2 LEU A 772 -4.816 -8.917 13.088 1.00 30.72 C ATOM 2158 H LEU A 772 -3.576 -10.262 9.714 1.00 0.00 H ATOM 2159 N PRO A 773 -7.708 -11.661 10.450 1.00 36.69 N ATOM 2160 CA PRO A 773 -8.831 -12.166 9.657 1.00 33.96 C ATOM 2161 C PRO A 773 -9.399 -11.041 8.809 1.00 35.30 C ATOM 2162 O PRO A 773 -9.321 -9.866 9.172 1.00 32.59 O ATOM 2163 CB PRO A 773 -9.832 -12.632 10.717 1.00 37.78 C ATOM 2164 CG PRO A 773 -9.579 -11.701 11.868 1.00 38.98 C ATOM 2165 CD PRO A 773 -8.085 -11.437 11.861 1.00 36.26 C ATOM 2166 N ALA A 774 -9.958 -11.402 7.663 1.00 33.84 N ATOM 2167 CA ALA A 774 -10.610 -10.395 6.841 1.00 33.42 C ATOM 2168 C ALA A 774 -11.830 -9.845 7.577 1.00 40.63 C ATOM 2169 O ALA A 774 -12.575 -10.604 8.198 1.00 40.19 O ATOM 2170 CB ALA A 774 -11.031 -10.983 5.497 1.00 39.25 C ATOM 2171 H ALA A 774 -9.931 -12.395 7.355 1.00 0.00 H ATOM 2172 N PRO A 775 -12.047 -8.531 7.550 1.00 43.12 N ATOM 2173 CA PRO A 775 -13.288 -7.992 8.117 1.00 45.14 C ATOM 2174 C PRO A 775 -14.491 -8.503 7.339 1.00 51.73 C ATOM 2175 O PRO A 775 -14.391 -8.857 6.160 1.00 55.02 O ATOM 2176 CB PRO A 775 -13.125 -6.474 7.966 1.00 41.02 C ATOM 2177 CG PRO A 775 -11.650 -6.254 7.777 1.00 39.98 C ATOM 2178 CD PRO A 775 -11.152 -7.478 7.048 1.00 38.14 C ATOM 2179 N LYS A 776 -15.638 -8.566 8.025 1.00 53.08 N ATOM 2180 CA LYS A 776 -16.872 -8.968 7.355 1.00 53.76 C ATOM 2181 C LYS A 776 -17.152 -8.090 6.144 1.00 55.06 C ATOM 2182 O LYS A 776 -17.679 -8.572 5.133 1.00 59.73 O ATOM 2183 CB LYS A 776 -18.045 -8.922 8.333 1.00 54.49 C ATOM 2184 H LYS A 776 -15.651 -8.328 9.037 1.00 0.00 H ATOM 2185 N ALA A 777 -16.804 -6.805 6.223 1.00 50.07 N ATOM 2186 CA ALA A 777 -16.727 -5.940 5.049 1.00 48.17 C ATOM 2187 C ALA A 777 -15.314 -6.091 4.500 1.00 47.89 C ATOM 2188 O ALA A 777 -14.381 -5.404 4.919 1.00 47.08 O ATOM 2189 CB ALA A 777 -17.061 -4.498 5.408 1.00 44.83 C ATOM 2190 H ALA A 777 -16.579 -6.404 7.156 1.00 0.00 H ATOM 2191 N ALA A 778 -15.156 -7.008 3.548 1.00 48.32 N ATOM 2192 CA ALA A 778 -13.850 -7.517 3.154 1.00 45.00 C ATOM 2193 C ALA A 778 -13.230 -6.782 1.968 1.00 44.62 C ATOM 2194 O ALA A 778 -12.188 -7.220 1.471 1.00 44.19 O ATOM 2195 CB ALA A 778 -13.956 -9.011 2.836 1.00 47.29 C ATOM 2196 H ALA A 778 -16.001 -7.376 3.066 1.00 0.00 H ATOM 2197 N GLU A 779 -13.820 -5.667 1.524 1.00 44.61 N ATOM 2198 CA GLU A 779 -13.387 -5.043 0.274 1.00 46.19 C ATOM 2199 C GLU A 779 -11.915 -4.638 0.300 1.00 42.51 C ATOM 2200 O GLU A 779 -11.279 -4.554 -0.757 1.00 43.69 O ATOM 2201 CB GLU A 779 -14.260 -3.826 -0.042 1.00 50.18 C ATOM 2202 CG GLU A 779 -15.721 -4.147 -0.322 1.00 57.71 C ATOM 2203 CD GLU A 779 -16.555 -4.266 0.943 1.00 64.97 C ATOM 2204 OE1 GLU A 779 -15.973 -4.298 2.050 1.00 64.51 O ATOM 2205 OE2 GLU A 779 -17.798 -4.326 0.829 1.00 71.07 O ATOM 2206 H GLU A 779 -14.594 -5.240 2.072 1.00 0.00 H ATOM 2207 N LEU A 780 -11.355 -4.389 1.483 1.00 39.81 N ATOM 2208 CA LEU A 780 -9.965 -3.969 1.613 1.00 37.32 C ATOM 2209 C LEU A 780 -9.069 -5.061 2.189 1.00 34.69 C ATOM 2210 O LEU A 780 -7.914 -4.782 2.528 1.00 35.69 O ATOM 2211 CB LEU A 780 -9.870 -2.711 2.481 1.00 34.19 C ATOM 2212 CG LEU A 780 -10.592 -1.449 1.994 1.00 36.84 C ATOM 2213 CD1 LEU A 780 -10.336 -0.292 2.955 1.00 37.72 C ATOM 2214 CD2 LEU A 780 -10.161 -1.071 0.588 1.00 37.22 C ATOM 2215 H LEU A 780 -11.929 -4.498 2.343 1.00 0.00 H ATOM 2216 N ALA A 781 -9.566 -6.295 2.300 1.00 33.32 N ATOM 2217 CA ALA A 781 -8.802 -7.339 2.977 1.00 31.18 C ATOM 2218 C ALA A 781 -7.476 -7.606 2.275 1.00 31.24 C ATOM 2219 O ALA A 781 -6.434 -7.736 2.930 1.00 30.92 O ATOM 2220 CB ALA A 781 -9.633 -8.619 3.069 1.00 32.29 C ATOM 2221 H ALA A 781 -10.502 -6.514 1.902 1.00 0.00 H ATOM 2222 N ASN A 782 -7.491 -7.678 0.941 1.00 30.92 N ATOM 2223 CA ASN A 782 -6.257 -7.934 0.207 1.00 30.28 C ATOM 2224 C ASN A 782 -5.241 -6.821 0.430 1.00 31.19 C ATOM 2225 O ASN A 782 -4.051 -7.091 0.621 1.00 30.24 O ATOM 2226 CB ASN A 782 -6.556 -8.107 -1.282 1.00 29.35 C ATOM 2227 CG ASN A 782 -7.278 -9.411 -1.582 1.00 35.21 C ATOM 2228 OD1 ASN A 782 -7.122 -10.399 -0.861 1.00 35.42 O ATOM 2229 ND2 ASN A 782 -8.076 -9.418 -2.645 1.00 35.18 N ATOM 2230 HD22 ASN A 782 -8.177 -8.561 -3.225 1.00 0.00 H ATOM 2231 HD21 ASN A 782 -8.599 -10.281 -2.897 1.00 0.00 H ATOM 2232 H ASN A 782 -8.385 -7.551 0.425 1.00 0.00 H ATOM 2233 N LEU A 783 -5.693 -5.566 0.416 1.00 29.37 N ATOM 2234 CA LEU A 783 -4.786 -4.447 0.660 1.00 28.15 C ATOM 2235 C LEU A 783 -4.205 -4.513 2.066 1.00 24.55 C ATOM 2236 O LEU A 783 -3.003 -4.292 2.270 1.00 22.17 O ATOM 2237 CB LEU A 783 -5.524 -3.126 0.447 1.00 27.68 C ATOM 2238 CG LEU A 783 -4.666 -1.872 0.585 1.00 33.64 C ATOM 2239 CD1 LEU A 783 -3.570 -1.856 -0.470 1.00 34.06 C ATOM 2240 CD2 LEU A 783 -5.529 -0.634 0.474 1.00 32.11 C ATOM 2241 H LEU A 783 -6.700 -5.383 0.230 1.00 0.00 H ATOM 2242 N ILE A 784 -5.053 -4.818 3.051 1.00 25.66 N ATOM 2243 CA ILE A 784 -4.601 -4.967 4.433 1.00 29.60 C ATOM 2244 C ILE A 784 -3.510 -6.027 4.526 1.00 26.17 C ATOM 2245 O ILE A 784 -2.459 -5.813 5.141 1.00 26.89 O ATOM 2246 CB ILE A 784 -5.793 -5.301 5.349 1.00 30.79 C ATOM 2247 CG1 ILE A 784 -6.696 -4.072 5.511 1.00 30.68 C ATOM 2248 CG2 ILE A 784 -5.308 -5.807 6.700 1.00 32.65 C ATOM 2249 CD1 ILE A 784 -8.064 -4.383 6.085 1.00 29.57 C ATOM 2250 H ILE A 784 -6.060 -4.953 2.830 1.00 0.00 H ATOM 2251 N ASN A 785 -3.740 -7.183 3.904 1.00 25.72 N ATOM 2252 CA ASN A 785 -2.750 -8.250 3.983 1.00 28.60 C ATOM 2253 C ASN A 785 -1.483 -7.913 3.202 1.00 30.74 C ATOM 2254 O ASN A 785 -0.387 -8.311 3.608 1.00 30.63 O ATOM 2255 CB ASN A 785 -3.358 -9.561 3.493 1.00 32.09 C ATOM 2256 CG ASN A 785 -4.371 -10.127 4.475 1.00 36.55 C ATOM 2257 OD1 ASN A 785 -4.430 -9.705 5.635 1.00 42.71 O ATOM 2258 ND2 ASN A 785 -5.175 -11.078 4.017 1.00 33.69 N ATOM 2259 HD22 ASN A 785 -5.089 -11.402 3.033 1.00 0.00 H ATOM 2260 HD21 ASN A 785 -5.891 -11.499 4.642 1.00 0.00 H ATOM 2261 H ASN A 785 -4.619 -7.323 3.366 1.00 0.00 H ATOM 2262 N ASN A 786 -1.604 -7.172 2.096 1.00 29.02 N ATOM 2263 CA ASN A 786 -0.420 -6.771 1.341 1.00 28.52 C ATOM 2264 C ASN A 786 0.433 -5.786 2.129 1.00 27.17 C ATOM 2265 O ASN A 786 1.665 -5.802 2.026 1.00 25.57 O ATOM 2266 CB ASN A 786 -0.825 -6.163 -0.002 1.00 28.11 C ATOM 2267 CG ASN A 786 -1.253 -7.211 -1.012 1.00 34.85 C ATOM 2268 OD1 ASN A 786 -1.018 -8.410 -0.827 1.00 33.96 O ATOM 2269 ND2 ASN A 786 -1.882 -6.761 -2.095 1.00 33.66 N ATOM 2270 HD22 ASN A 786 -2.058 -5.742 -2.208 1.00 0.00 H ATOM 2271 HD21 ASN A 786 -2.197 -7.428 -2.828 1.00 0.00 H ATOM 2272 H ASN A 786 -2.548 -6.879 1.771 1.00 0.00 H ATOM 2273 N CYS A 787 -0.205 -4.913 2.912 1.00 24.67 N ATOM 2274 CA CYS A 787 0.551 -3.960 3.718 1.00 27.56 C ATOM 2275 C CYS A 787 1.171 -4.628 4.937 1.00 32.02 C ATOM 2276 O CYS A 787 2.276 -4.258 5.354 1.00 33.11 O ATOM 2277 CB CYS A 787 -0.351 -2.803 4.149 1.00 27.95 C ATOM 2278 SG CYS A 787 -0.881 -1.760 2.770 1.00 29.40 S ATOM 2279 H CYS A 787 -1.244 -4.912 2.948 1.00 0.00 H ATOM 2280 N MET A 788 0.472 -5.599 5.533 1.00 28.24 N ATOM 2281 CA MET A 788 0.965 -6.286 6.727 1.00 30.29 C ATOM 2282 C MET A 788 1.841 -7.471 6.325 1.00 28.94 C ATOM 2283 O MET A 788 1.622 -8.622 6.704 1.00 30.00 O ATOM 2284 CB MET A 788 -0.198 -6.721 7.614 1.00 28.94 C ATOM 2285 CG MET A 788 -1.040 -5.551 8.107 1.00 27.12 C ATOM 2286 SD MET A 788 -2.413 -6.049 9.155 1.00 28.68 S ATOM 2287 CE MET A 788 -1.522 -6.620 10.607 1.00 30.53 C ATOM 2288 H MET A 788 -0.449 -5.874 5.136 1.00 0.00 H ATOM 2289 N ASP A 789 2.855 -7.157 5.529 1.00 27.95 N ATOM 2290 CA ASP A 789 3.795 -8.156 5.049 1.00 27.70 C ATOM 2291 C ASP A 789 4.883 -8.336 6.094 1.00 29.42 C ATOM 2292 O ASP A 789 5.463 -7.353 6.569 1.00 31.05 O ATOM 2293 CB ASP A 789 4.395 -7.729 3.708 1.00 26.80 C ATOM 2294 CG ASP A 789 5.007 -8.890 2.944 1.00 32.75 C ATOM 2295 OD1 ASP A 789 5.743 -9.690 3.555 1.00 34.34 O ATOM 2296 OD2 ASP A 789 4.754 -8.995 1.726 1.00 34.01 O ATOM 2297 H ASP A 789 2.981 -6.166 5.240 1.00 0.00 H ATOM 2298 N TYR A 790 5.142 -9.591 6.469 1.00 29.27 N ATOM 2299 CA TYR A 790 6.182 -9.851 7.454 1.00 30.79 C ATOM 2300 C TYR A 790 7.563 -9.477 6.937 1.00 30.66 C ATOM 2301 O TYR A 790 8.490 -9.305 7.736 1.00 33.48 O ATOM 2302 CB TYR A 790 6.139 -11.317 7.883 1.00 33.71 C ATOM 2303 CG TYR A 790 5.115 -11.587 8.966 1.00 34.94 C ATOM 2304 CD1 TYR A 790 3.779 -11.799 8.652 1.00 34.41 C ATOM 2305 CD2 TYR A 790 5.485 -11.617 10.304 1.00 33.37 C ATOM 2306 CE1 TYR A 790 2.838 -12.042 9.645 1.00 34.99 C ATOM 2307 CE2 TYR A 790 4.554 -11.860 11.301 1.00 36.42 C ATOM 2308 CZ TYR A 790 3.233 -12.069 10.966 1.00 35.71 C ATOM 2309 OH TYR A 790 2.309 -12.310 11.961 1.00 38.01 O ATOM 2310 HH TYR A 790 1.415 -12.438 11.556 1.00 0.00 H ATOM 2311 H TYR A 790 4.603 -10.380 6.059 1.00 0.00 H ATOM 2312 N GLU A 791 7.717 -9.328 5.623 1.00 29.42 N ATOM 2313 CA GLU A 791 8.971 -8.872 5.047 1.00 34.78 C ATOM 2314 C GLU A 791 8.886 -7.370 4.809 1.00 33.28 C ATOM 2315 O GLU A 791 8.174 -6.940 3.889 1.00 30.78 O ATOM 2316 CB GLU A 791 9.259 -9.612 3.742 1.00 39.95 C ATOM 2317 CG GLU A 791 10.504 -9.141 3.014 1.00 45.94 C ATOM 2318 CD GLU A 791 11.702 -8.988 3.926 1.00 51.36 C ATOM 2319 OE1 GLU A 791 12.096 -7.830 4.198 1.00 51.81 O ATOM 2320 OE2 GLU A 791 12.250 -10.017 4.373 1.00 52.66 O ATOM 2321 H GLU A 791 6.919 -9.544 4.992 1.00 0.00 H ATOM 2322 N PRO A 792 9.576 -6.542 5.604 1.00 34.45 N ATOM 2323 CA PRO A 792 9.415 -5.081 5.461 1.00 32.58 C ATOM 2324 C PRO A 792 9.753 -4.555 4.075 1.00 36.72 C ATOM 2325 O PRO A 792 9.106 -3.611 3.602 1.00 34.00 O ATOM 2326 CB PRO A 792 10.377 -4.524 6.519 1.00 30.42 C ATOM 2327 CG PRO A 792 10.537 -5.633 7.516 1.00 37.35 C ATOM 2328 CD PRO A 792 10.466 -6.901 6.721 1.00 34.98 C ATOM 2329 N ASP A 793 10.756 -5.137 3.410 1.00 38.72 N ATOM 2330 CA ASP A 793 11.167 -4.669 2.092 1.00 39.07 C ATOM 2331 C ASP A 793 10.127 -4.936 1.015 1.00 34.62 C ATOM 2332 O ASP A 793 10.226 -4.357 -0.070 1.00 33.61 O ATOM 2333 CB ASP A 793 12.496 -5.317 1.696 1.00 48.88 C ATOM 2334 CG ASP A 793 13.697 -4.631 2.330 1.00 61.59 C ATOM 2335 OD1 ASP A 793 13.509 -3.588 2.991 1.00 65.55 O ATOM 2336 OD2 ASP A 793 14.833 -5.131 2.165 1.00 68.97 O ATOM 2337 H ASP A 793 11.254 -5.941 3.842 1.00 0.00 H ATOM 2338 N HIS A 794 9.144 -5.793 1.278 1.00 31.01 N ATOM 2339 CA HIS A 794 8.136 -6.136 0.287 1.00 31.22 C ATOM 2340 C HIS A 794 6.846 -5.357 0.463 1.00 28.62 C ATOM 2341 O HIS A 794 5.929 -5.513 -0.349 1.00 29.04 O ATOM 2342 CB HIS A 794 7.832 -7.634 0.335 1.00 35.95 C ATOM 2343 CG HIS A 794 9.011 -8.497 0.024 1.00 36.58 C ATOM 2344 ND1 HIS A 794 9.005 -9.863 0.222 1.00 32.37 N ATOM 2345 CD2 HIS A 794 10.234 -8.194 -0.470 1.00 37.56 C ATOM 2346 CE1 HIS A 794 10.172 -10.362 -0.138 1.00 35.03 C ATOM 2347 NE2 HIS A 794 10.937 -9.372 -0.565 1.00 40.37 N ATOM 2348 H HIS A 794 9.095 -6.231 2.220 1.00 0.00 H ATOM 2349 N ARG A 795 6.743 -4.537 1.504 1.00 25.05 N ATOM 2350 CA ARG A 795 5.537 -3.756 1.692 1.00 22.97 C ATOM 2351 C ARG A 795 5.431 -2.710 0.581 1.00 29.43 C ATOM 2352 O ARG A 795 6.433 -2.091 0.211 1.00 26.74 O ATOM 2353 CB ARG A 795 5.539 -3.101 3.074 1.00 23.71 C ATOM 2354 CG ARG A 795 5.423 -4.132 4.202 1.00 25.85 C ATOM 2355 CD ARG A 795 5.601 -3.552 5.609 1.00 25.39 C ATOM 2356 NE ARG A 795 5.912 -4.632 6.546 1.00 27.27 N ATOM 2357 CZ ARG A 795 6.528 -4.472 7.711 1.00 29.11 C ATOM 2358 NH1 ARG A 795 6.904 -3.264 8.113 1.00 30.03 N ATOM 2359 NH2 ARG A 795 6.777 -5.530 8.470 1.00 30.03 N ATOM 2360 HE ARG A 795 5.629 -5.597 6.279 1.00 0.00 H ATOM 2361 HH12 ARG A 795 7.386 -3.147 9.027 1.00 0.00 H ATOM 2362 HH11 ARG A 795 6.716 -2.435 7.514 1.00 0.00 H ATOM 2363 HH22 ARG A 795 7.259 -5.412 9.384 1.00 0.00 H ATOM 2364 HH21 ARG A 795 6.490 -6.478 8.152 1.00 0.00 H ATOM 2365 H ARG A 795 7.527 -4.456 2.183 1.00 0.00 H ATOM 2366 N PRO A 796 4.245 -2.519 0.011 1.00 29.54 N ATOM 2367 CA PRO A 796 4.119 -1.631 -1.150 1.00 30.09 C ATOM 2368 C PRO A 796 4.277 -0.164 -0.781 1.00 31.00 C ATOM 2369 O PRO A 796 3.895 0.275 0.306 1.00 29.53 O ATOM 2370 CB PRO A 796 2.702 -1.918 -1.657 1.00 31.52 C ATOM 2371 CG PRO A 796 1.960 -2.376 -0.441 1.00 31.52 C ATOM 2372 CD PRO A 796 2.962 -3.139 0.388 1.00 28.50 C ATOM 2373 N SER A 797 4.843 0.599 -1.717 1.00 29.25 N ATOM 2374 CA SER A 797 4.925 2.043 -1.547 1.00 31.08 C ATOM 2375 C SER A 797 3.524 2.635 -1.421 1.00 32.11 C ATOM 2376 O SER A 797 2.534 2.054 -1.874 1.00 33.73 O ATOM 2377 CB SER A 797 5.654 2.690 -2.727 1.00 31.17 C ATOM 2378 OG SER A 797 4.766 2.893 -3.811 1.00 30.28 O ATOM 2379 HG SER A 797 5.255 3.312 -4.563 1.00 0.00 H ATOM 2380 H SER A 797 5.229 0.159 -2.576 1.00 0.00 H ATOM 2381 N PHE A 798 3.442 3.814 -0.798 1.00 30.27 N ATOM 2382 CA PHE A 798 2.135 4.441 -0.649 1.00 28.61 C ATOM 2383 C PHE A 798 1.581 4.945 -1.975 1.00 27.90 C ATOM 2384 O PHE A 798 0.360 5.075 -2.109 1.00 28.68 O ATOM 2385 CB PHE A 798 2.195 5.561 0.396 1.00 27.99 C ATOM 2386 CG PHE A 798 2.001 5.061 1.796 1.00 25.50 C ATOM 2387 CD1 PHE A 798 0.747 4.664 2.224 1.00 25.27 C ATOM 2388 CD2 PHE A 798 3.073 4.927 2.662 1.00 27.05 C ATOM 2389 CE1 PHE A 798 0.555 4.156 3.499 1.00 24.59 C ATOM 2390 CE2 PHE A 798 2.887 4.427 3.947 1.00 27.19 C ATOM 2391 CZ PHE A 798 1.625 4.043 4.363 1.00 25.64 C ATOM 2392 H PHE A 798 4.296 4.276 -0.426 1.00 0.00 H ATOM 2393 N ARG A 799 2.435 5.203 -2.966 1.00 31.62 N ATOM 2394 CA ARG A 799 1.925 5.502 -4.300 1.00 34.88 C ATOM 2395 C ARG A 799 1.183 4.301 -4.878 1.00 36.07 C ATOM 2396 O ARG A 799 0.094 4.445 -5.451 1.00 32.90 O ATOM 2397 CB ARG A 799 3.075 5.926 -5.214 1.00 42.28 C ATOM 2398 CG ARG A 799 2.665 6.203 -6.652 1.00 49.08 C ATOM 2399 CD ARG A 799 3.863 6.583 -7.514 1.00 58.88 C ATOM 2400 NE ARG A 799 4.126 8.019 -7.492 1.00 66.20 N ATOM 2401 CZ ARG A 799 4.990 8.615 -6.675 1.00 68.15 C ATOM 2402 NH1 ARG A 799 5.689 7.899 -5.805 1.00 66.21 N ATOM 2403 NH2 ARG A 799 5.155 9.930 -6.733 1.00 69.79 N ATOM 2404 HE ARG A 799 3.601 8.617 -8.162 1.00 0.00 H ATOM 2405 HH12 ARG A 799 6.364 8.369 -5.168 1.00 0.00 H ATOM 2406 HH11 ARG A 799 5.563 6.868 -5.760 1.00 0.00 H ATOM 2407 HH22 ARG A 799 5.830 10.398 -6.095 1.00 0.00 H ATOM 2408 HH21 ARG A 799 4.609 10.493 -7.416 1.00 0.00 H ATOM 2409 H ARG A 799 3.460 5.191 -2.789 1.00 0.00 H ATOM 2410 N ALA A 800 1.749 3.102 -4.713 1.00 35.85 N ATOM 2411 CA ALA A 800 1.076 1.897 -5.184 1.00 38.33 C ATOM 2412 C ALA A 800 -0.189 1.626 -4.379 1.00 35.50 C ATOM 2413 O ALA A 800 -1.202 1.182 -4.933 1.00 34.93 O ATOM 2414 CB ALA A 800 2.031 0.703 -5.114 1.00 39.79 C ATOM 2415 H ALA A 800 2.675 3.028 -4.246 1.00 0.00 H ATOM 2416 N ILE A 801 -0.150 1.894 -3.072 1.00 35.24 N ATOM 2417 CA ILE A 801 -1.345 1.754 -2.242 1.00 30.37 C ATOM 2418 C ILE A 801 -2.451 2.674 -2.752 1.00 32.01 C ATOM 2419 O ILE A 801 -3.610 2.266 -2.884 1.00 34.32 O ATOM 2420 CB ILE A 801 -1.004 2.036 -0.767 1.00 29.43 C ATOM 2421 CG1 ILE A 801 -0.005 0.997 -0.234 1.00 26.24 C ATOM 2422 CG2 ILE A 801 -2.280 2.095 0.091 1.00 28.19 C ATOM 2423 CD1 ILE A 801 0.410 1.261 1.203 1.00 23.83 C ATOM 2424 H ILE A 801 0.742 2.206 -2.639 1.00 0.00 H ATOM 2425 N ILE A 802 -2.102 3.922 -3.067 1.00 28.44 N ATOM 2426 CA ILE A 802 -3.097 4.872 -3.563 1.00 32.56 C ATOM 2427 C ILE A 802 -3.658 4.408 -4.900 1.00 34.64 C ATOM 2428 O ILE A 802 -4.870 4.490 -5.144 1.00 37.44 O ATOM 2429 CB ILE A 802 -2.488 6.286 -3.649 1.00 30.60 C ATOM 2430 CG1 ILE A 802 -2.331 6.873 -2.243 1.00 30.15 C ATOM 2431 CG2 ILE A 802 -3.336 7.212 -4.535 1.00 31.11 C ATOM 2432 CD1 ILE A 802 -1.615 8.198 -2.204 1.00 36.33 C ATOM 2433 H ILE A 802 -1.112 4.223 -2.959 1.00 0.00 H ATOM 2434 N ARG A 803 -2.795 3.894 -5.778 1.00 33.52 N ATOM 2435 CA ARG A 803 -3.277 3.346 -7.043 1.00 41.10 C ATOM 2436 C ARG A 803 -4.298 2.237 -6.805 1.00 43.13 C ATOM 2437 O ARG A 803 -5.398 2.248 -7.378 1.00 45.68 O ATOM 2438 CB ARG A 803 -2.098 2.836 -7.872 1.00 41.96 C ATOM 2439 H ARG A 803 -1.778 3.884 -5.561 1.00 0.00 H ATOM 2440 N ASP A 804 -3.955 1.280 -5.937 1.00 44.88 N ATOM 2441 CA ASP A 804 -4.878 0.200 -5.599 1.00 45.26 C ATOM 2442 C ASP A 804 -6.206 0.744 -5.083 1.00 38.86 C ATOM 2443 O ASP A 804 -7.279 0.330 -5.535 1.00 37.95 O ATOM 2444 CB ASP A 804 -4.235 -0.722 -4.560 1.00 52.73 C ATOM 2445 CG ASP A 804 -4.105 -2.148 -5.050 1.00 64.31 C ATOM 2446 OD1 ASP A 804 -5.129 -2.732 -5.467 1.00 68.98 O ATOM 2447 OD2 ASP A 804 -2.975 -2.681 -5.033 1.00 66.29 O ATOM 2448 H ASP A 804 -3.014 1.305 -5.495 1.00 0.00 H ATOM 2449 N LEU A 805 -6.146 1.680 -4.130 1.00 33.38 N ATOM 2450 CA LEU A 805 -7.359 2.284 -3.585 1.00 33.47 C ATOM 2451 C LEU A 805 -8.227 2.873 -4.687 1.00 36.70 C ATOM 2452 O LEU A 805 -9.441 2.646 -4.728 1.00 40.27 O ATOM 2453 CB LEU A 805 -6.993 3.362 -2.561 1.00 31.60 C ATOM 2454 CG LEU A 805 -6.485 2.850 -1.215 1.00 30.92 C ATOM 2455 CD1 LEU A 805 -6.038 4.011 -0.331 1.00 28.38 C ATOM 2456 CD2 LEU A 805 -7.580 2.048 -0.527 1.00 33.73 C ATOM 2457 H LEU A 805 -5.219 1.983 -3.770 1.00 0.00 H ATOM 2458 N ASN A 806 -7.617 3.636 -5.595 1.00 36.19 N ATOM 2459 CA ASN A 806 -8.377 4.236 -6.683 1.00 44.71 C ATOM 2460 C ASN A 806 -8.931 3.197 -7.649 1.00 47.30 C ATOM 2461 O ASN A 806 -9.901 3.489 -8.356 1.00 48.70 O ATOM 2462 CB ASN A 806 -7.506 5.239 -7.443 1.00 49.69 C ATOM 2463 CG ASN A 806 -7.142 6.449 -6.602 1.00 53.08 C ATOM 2464 OD1 ASN A 806 -7.971 6.980 -5.864 1.00 53.13 O ATOM 2465 ND2 ASN A 806 -5.896 6.892 -6.712 1.00 55.76 N ATOM 2466 HD22 ASN A 806 -5.228 6.412 -7.348 1.00 0.00 H ATOM 2467 HD21 ASN A 806 -5.588 7.719 -6.162 1.00 0.00 H ATOM 2468 H ASN A 806 -6.593 3.803 -5.526 1.00 0.00 H ATOM 2469 N SER A 807 -8.354 1.994 -7.688 1.00 49.04 N ATOM 2470 CA SER A 807 -8.808 0.977 -8.633 1.00 56.79 C ATOM 2471 C SER A 807 -10.114 0.299 -8.227 1.00 62.73 C ATOM 2472 O SER A 807 -10.591 -0.570 -8.965 1.00 66.97 O ATOM 2473 CB SER A 807 -7.728 -0.090 -8.817 1.00 55.69 C ATOM 2474 OG SER A 807 -7.693 -0.971 -7.709 1.00 54.62 O ATOM 2475 HG SER A 807 -7.496 -0.457 -6.886 1.00 0.00 H ATOM 2476 H SER A 807 -7.572 1.778 -7.038 1.00 0.00 H ATOM 2477 N LEU A 808 -10.708 0.662 -7.093 1.00 65.61 N ATOM 2478 CA LEU A 808 -11.920 0.007 -6.601 1.00 69.43 C ATOM 2479 C LEU A 808 -13.125 0.894 -6.910 1.00 76.27 C ATOM 2480 O LEU A 808 -13.445 1.814 -6.153 1.00 76.90 O ATOM 2481 CB LEU A 808 -11.795 -0.283 -5.110 1.00 67.10 C ATOM 2482 CG LEU A 808 -10.557 -1.113 -4.756 1.00 65.61 C ATOM 2483 CD1 LEU A 808 -10.404 -1.262 -3.252 1.00 63.98 C ATOM 2484 CD2 LEU A 808 -10.616 -2.478 -5.430 1.00 67.53 C ATOM 2485 H LEU A 808 -10.296 1.438 -6.537 1.00 0.00 H ATOM 2486 N PHE A 809 -13.793 0.607 -8.024 1.00 81.66 N ATOM 2487 CA PHE A 809 -14.976 1.355 -8.442 1.00 85.03 C ATOM 2488 C PHE A 809 -15.743 0.593 -9.518 1.00 88.58 C ATOM 2489 O PHE A 809 -15.842 -0.633 -9.474 1.00 87.73 O ATOM 2490 CB PHE A 809 -14.584 2.743 -8.955 1.00 84.55 C ATOM 2491 H PHE A 809 -13.461 -0.179 -8.619 1.00 0.00 H TER 2492 PHE A 809 HETATM 2493 O HOH 1 4.998 6.642 -1.704 1.00 36.53 O HETATM 2494 O HOH 2 4.540 6.113 19.753 1.00 33.78 O HETATM 2495 O HOH 3 -16.185 0.188 9.603 1.00 52.19 O HETATM 2496 O HOH 4 -0.459 13.813 32.777 1.00 47.44 O HETATM 2497 O HOH 5 -5.275 -5.537 20.263 1.00 38.02 O HETATM 2498 O HOH 6 -0.146 3.289 27.046 1.00 50.99 O HETATM 2499 O HOH 7 0.437 17.575 16.001 1.00 52.11 O HETATM 2500 O HOH 8 10.192 -1.425 9.970 1.00 49.06 O HETATM 2501 O HOH 9 -7.961 24.470 17.542 1.00 33.48 O HETATM 2502 O HOH 10 -6.500 2.746 17.324 1.00 27.63 O HETATM 2503 O HOH 11 2.571 -6.274 27.891 1.00 52.29 O HETATM 2504 O HOH 12 -14.510 10.484 17.931 1.00 31.08 O HETATM 2505 O HOH 13 -2.831 20.961 8.801 1.00 41.74 O HETATM 2506 O HOH 14 9.244 21.371 33.493 1.00 52.19 O HETATM 2507 O HOH 15 1.905 -14.899 7.136 1.00 41.22 O HETATM 2508 O HOH 16 -13.315 -7.337 11.777 1.00 37.82 O HETATM 2509 O HOH 17 5.979 7.578 7.112 1.00 42.16 O HETATM 2510 O HOH 18 -3.179 -17.130 10.183 1.00 45.71 O HETATM 2511 O HOH 19 -0.811 -20.587 16.393 1.00 56.90 O HETATM 2512 O HOH 20 -8.675 3.737 21.313 1.00 39.74 O HETATM 2513 O HOH 21 2.861 -7.469 0.327 1.00 33.32 O HETATM 2514 O HOH 22 -8.240 44.143 18.563 1.00 41.80 O HETATM 2515 O HOH 23 -13.124 33.635 20.250 1.00 69.88 O HETATM 2516 O HOH 24 -10.088 23.808 16.143 1.00 51.35 O HETATM 2517 O HOH 25 -6.075 -14.172 25.622 1.00 36.91 O HETATM 2518 O HOH 26 -10.872 -8.134 17.911 1.00 48.79 O HETATM 2519 O HOH 27 -6.798 20.732 6.469 1.00 36.66 O HETATM 2520 O HOH 28 -21.928 17.526 10.941 1.00 52.11 O HETATM 2521 O HOH 29 -10.432 0.878 16.317 1.00 39.07 O HETATM 2522 O HOH 30 -0.853 -0.473 -7.050 1.00 46.07 O HETATM 2523 O HOH 31 9.640 -8.766 10.146 1.00 53.59 O HETATM 2524 O HOH 32 -19.595 11.178 8.411 1.00 42.81 O HETATM 2525 O HOH 33 6.325 4.584 4.676 1.00 36.23 O HETATM 2526 O HOH 34 -0.040 13.256 -0.710 1.00 40.23 O HETATM 2527 O HOH 35 5.490 21.375 4.333 1.00 51.00 O HETATM 2528 O HOH 36 -10.631 25.355 34.368 1.00 31.24 O HETATM 2529 O HOH 37 2.741 9.094 24.386 1.00 42.90 O HETATM 2530 O HOH 38 6.396 5.331 17.453 1.00 38.38 O HETATM 2531 O HOH 39 3.219 3.478 12.642 1.00 27.20 O HETATM 2532 O HOH 40 -8.521 44.527 15.379 1.00 36.37 O HETATM 2533 O HOH 41 -0.213 1.738 24.074 1.00 43.23 O HETATM 2534 O HOH 42 8.495 -1.353 1.922 1.00 34.02 O HETATM 2535 O HOH 43 5.400 -12.449 3.499 1.00 47.42 O HETATM 2536 O HOH 44 -8.078 -5.013 -0.914 1.00 33.62 O HETATM 2537 O HOH 45 0.127 29.380 17.625 1.00 47.09 O HETATM 2538 O HOH 46 -15.174 14.657 28.413 1.00 38.70 O HETATM 2539 O HOH 47 1.569 -8.710 -1.848 1.00 29.07 O HETATM 2540 O HOH 48 0.780 32.145 18.223 1.00 57.67 O HETATM 2541 O HOH 49 -6.599 -0.043 21.376 1.00 42.05 O HETATM 2542 O HOH 50 -0.892 4.716 20.771 1.00 53.33 O HETATM 2543 O HOH 51 -2.924 -9.171 8.221 1.00 28.08 O HETATM 2544 O HOH 52 1.343 19.825 11.274 1.00 56.03 O HETATM 2545 O HOH 53 -5.616 -11.523 1.258 1.00 31.09 O HETATM 2546 O HOH 54 0.194 5.663 30.730 1.00 50.95 O HETATM 2547 O HOH 55 -15.663 -7.350 10.595 1.00 48.50 O HETATM 2548 O HOH 56 3.480 1.516 15.618 1.00 38.87 O HETATM 2549 O HOH 57 -10.220 11.832 20.415 1.00 37.55 O HETATM 2550 O HOH 58 -1.726 8.357 31.367 1.00 51.45 O HETATM 2551 O HOH 59 -5.788 -6.791 24.591 1.00 33.76 O HETATM 2552 O HOH 60 -5.046 9.495 -1.991 1.00 41.02 O HETATM 2553 O HOH 61 2.753 2.067 18.178 1.00 39.35 O HETATM 2554 O HOH 62 -11.974 -8.462 23.216 1.00 34.30 O HETATM 2555 O HOH 63 -19.953 18.236 7.255 1.00 52.33 O HETATM 2556 O HOH 64 -12.874 -13.475 8.267 1.00 55.34 O HETATM 2557 O HOH 65 -8.788 -9.730 15.604 1.00 34.29 O HETATM 2558 O HOH 66 3.331 -11.492 5.258 1.00 35.31 O HETATM 2559 O HOH 67 -19.352 18.138 9.481 1.00 41.76 O HETATM 2560 O HOH 68 -12.147 -5.070 20.003 1.00 51.93 O HETATM 2561 O HOH 69 -7.010 -9.000 6.784 1.00 49.69 O HETATM 2562 O HOH 70 -6.915 -12.726 6.047 1.00 45.20 O HETATM 2563 O HOH 71 2.059 22.081 13.157 1.00 40.26 O HETATM 2564 O HOH 72 3.098 7.022 22.401 1.00 39.41 O HETATM 2565 O HOH 73 -10.093 22.164 13.744 1.00 50.89 O HETATM 2566 O HOH 74 -6.840 13.942 0.137 1.00 35.00 O HETATM 2567 O HOH 75 8.429 -10.698 26.788 1.00 58.25 O HETATM 2568 O HOH 76 0.849 2.129 15.294 1.00 41.67 O HETATM 2569 O HOH 77 -2.155 15.398 -0.337 1.00 38.28 O HETATM 2570 O HOH 78 7.516 7.163 16.466 1.00 50.63 O HETATM 2571 O HOH 79 -6.723 25.862 33.787 1.00 40.84 O HETATM 2572 O HOH 80 9.127 0.989 2.945 1.00 52.26 O HETATM 2573 O HOH 81 5.155 6.976 5.096 1.00 47.02 O HETATM 2574 O HOH 82 -10.320 42.294 19.726 1.00 48.64 O HETATM 2575 O HOH 83 5.742 -0.694 -4.263 1.00 31.71 O HETATM 2576 O HOH 84 3.800 13.383 22.171 1.00 43.61 O HETATM 2577 O HOH 85 -16.873 -5.621 8.974 1.00 51.38 O HETATM 2578 O HOH 86 -12.484 11.319 29.580 1.00 53.95 O HETATM 2579 O HOH 87 -1.256 -3.795 -2.598 1.00 37.51 O HETATM 2580 O HOH 88 5.715 27.907 28.662 1.00 64.88 O HETATM 2581 O HOH 89 -13.033 10.623 20.249 1.00 49.63 O HETATM 2582 O HOH 90 -9.703 -10.470 19.223 1.00 30.05 O HETATM 2583 O HOH 91 -0.009 20.793 9.125 1.00 32.03 O HETATM 2584 O HOH 92 -6.408 -4.303 -3.109 1.00 45.47 O HETATM 2585 O HOH 93 -0.360 9.210 19.878 1.00 44.16 O HETATM 2586 O HOH 94 -17.274 -1.280 7.459 1.00 56.74 O HETATM 2587 O HOH 95 8.523 2.331 -1.289 1.00 61.29 O HETATM 2588 O HOH 96 -10.196 -14.590 7.037 1.00 67.52 O HETATM 2589 O HOH 97 -11.068 14.832 -0.450 1.00 47.06 O HETATM 2590 O HOH 98 -4.342 14.692 -1.408 1.00 38.58 O HETATM 2591 O HOH 99 -4.755 -14.519 4.810 1.00 47.87 O HETATM 2592 O HOH 100 -4.923 10.281 -6.107 1.00 48.64 O HETATM 2593 O HOH 101 -0.016 7.409 22.453 1.00 62.48 O HETATM 2594 O HOH 102 -4.645 -13.554 30.834 1.00 57.77 O HETATM 2595 O HOH 103 2.359 11.732 23.632 1.00 57.35 O HETATM 2596 O HOH 104 1.552 -5.516 -3.222 1.00 57.82 O HETATM 2597 O HOH 105 -4.554 -13.938 1.470 1.00 42.13 O HETATM 2598 O HOH 106 -17.747 20.821 10.694 1.00 60.72 O HETATM 2599 O HOH 107 -10.461 43.504 14.735 1.00 57.55 O HETATM 2600 O HOH 108 -8.040 11.909 -1.215 1.00 47.77 O HETATM 2601 O HOH 109 -8.833 10.988 -3.922 1.00 49.76 O HETATM 2602 O HOH 110 2.274 14.523 -1.481 1.00 41.90 O HETATM 2603 O HOH 111 -3.284 11.162 -3.279 1.00 45.26 O HETATM 2604 F1 DQX A 112 -8.333 11.796 24.067 1.00 -0.19 F HETATM 2605 C2 DQX A 112 -7.725 11.676 22.845 1.00 0.14 C HETATM 2606 C3 DQX A 112 -7.268 10.411 22.394 1.00 0.07 C HETATM 2607 C4 DQX A 112 -6.638 10.329 21.143 1.00 0.14 C HETATM 2608 C5 DQX A 112 -6.482 11.478 20.335 1.00 -0.03 C HETATM 2609 C7 DQX A 112 -6.950 12.720 20.778 1.00 -0.02 C HETATM 2610 C8 DQX A 112 -7.561 12.805 22.044 1.00 -0.03 C HETATM 2611 H2 DQX A 112 -7.910 13.767 22.402 1.00 0.06 H HETATM 2612 C10 DQX A 112 -6.782 14.024 19.938 1.00 0.00 C HETATM 2613 C11 DQX A 112 -7.889 14.900 19.712 1.00 0.07 C HETATM 2614 N12 DQX A 112 -9.145 14.599 20.199 1.00 -0.28 N HETATM 2615 C13 DQX A 112 -10.166 15.418 19.987 1.00 0.06 C HETATM 2616 C14 DQX A 112 -9.969 16.600 19.234 1.00 0.04 C HETATM 2617 N16 DQX A 112 -8.751 16.895 18.759 1.00 -0.27 N HETATM 2618 C17 DQX A 112 -7.706 16.063 18.982 1.00 0.07 C HETATM 2619 C18 DQX A 112 -6.386 16.397 18.452 1.00 -0.04 C HETATM 2620 C20 DQX A 112 -5.304 15.549 18.679 1.00 -0.05 C HETATM 2621 C22 DQX A 112 -5.492 14.361 19.429 1.00 -0.05 C HETATM 2622 H6 DQX A 112 -4.650 13.704 19.617 1.00 0.07 H HETATM 2623 H5 DQX A 112 -4.325 15.796 18.285 1.00 0.06 H HETATM 2624 H4 DQX A 112 -6.248 17.308 17.880 1.00 0.07 H HETATM 2625 H3 DQX A 112 -10.802 17.266 19.042 1.00 0.09 H HETATM 2626 C24 DQX A 112 -11.599 15.069 20.520 1.00 0.03 C HETATM 2627 C25 DQX A 112 -12.790 15.615 20.022 1.00 0.07 C HETATM 2628 N27 DQX A 112 -13.800 15.055 20.702 1.00 -0.19 N HETATM 2629 N28 DQX A 112 -13.309 14.147 21.646 1.00 -0.21 N HETATM 2630 C29 DQX A 112 -11.946 14.144 21.542 1.00 0.01 C HETATM 2631 H8 DQX A 112 -11.255 13.544 22.132 1.00 0.07 H HETATM 2632 C31 DQX A 112 -15.222 15.379 20.452 1.00 0.09 C HETATM 2633 C33 DQX A 112 -16.109 14.308 19.889 1.00 0.02 C HETATM 2634 C36 DQX A 112 -17.419 13.988 20.625 1.00 -0.03 C HETATM 2635 N39 DQX A 112 -17.842 15.076 21.523 1.00 0.23 N HETATM 2636 C41 DQX A 112 -16.759 15.367 22.495 1.00 -0.03 C HETATM 2637 C44 DQX A 112 -15.542 15.966 21.790 1.00 0.02 C HETATM 2638 H18 DQX A 112 -15.725 17.042 21.654 1.00 0.03 H HETATM 2639 H19 DQX A 112 -14.668 15.822 22.442 1.00 0.03 H HETATM 2640 H16 DQX A 112 -16.462 14.433 22.995 1.00 0.08 H HETATM 2641 H17 DQX A 112 -17.130 16.082 23.244 1.00 0.08 H HETATM 2642 H14 DQX A 112 -18.673 14.797 22.020 1.00 0.20 H HETATM 2643 H15 DQX A 112 -18.037 15.903 20.980 1.00 0.20 H HETATM 2644 H12 DQX A 112 -17.275 13.075 21.221 1.00 0.08 H HETATM 2645 H13 DQX A 112 -18.210 13.818 19.880 1.00 0.08 H HETATM 2646 H10 DQX A 112 -15.519 13.380 19.855 1.00 0.03 H HETATM 2647 H11 DQX A 112 -16.376 14.610 18.866 1.00 0.03 H HETATM 2648 H9 DQX A 112 -15.265 16.186 19.706 1.00 0.07 H HETATM 2649 H7 DQX A 112 -12.878 16.357 19.230 1.00 0.11 H HETATM 2650 H1 DQX A 112 -5.998 11.397 19.369 1.00 0.06 H HETATM 2651 F47 DQX A 112 -6.192 9.147 20.698 1.00 -0.19 F HETATM 2652 C48 DQX A 112 -7.442 9.148 23.304 1.00 0.00 C HETATM 2653 N51 DQX A 112 -8.551 8.467 23.132 1.00 0.25 N HETATM 2654 C52 DQX A 112 -8.793 8.049 21.827 1.00 -0.01 C HETATM 2655 C55 DQX A 112 -10.066 7.204 21.695 1.00 0.09 C HETATM 2656 O58 DQX A 112 -11.144 7.816 22.292 1.00 -0.37 O HETATM 2657 C59 DQX A 112 -10.890 8.144 23.625 1.00 0.09 C HETATM 2658 C62 DQX A 112 -9.643 9.017 23.772 1.00 -0.01 C HETATM 2659 H29 DQX A 112 -9.848 10.007 23.338 1.00 0.08 H HETATM 2660 H30 DQX A 112 -9.410 9.127 24.841 1.00 0.08 H HETATM 2661 H27 DQX A 112 -10.743 7.216 24.198 1.00 0.06 H HETATM 2662 H28 DQX A 112 -11.756 8.691 24.027 1.00 0.06 H HETATM 2663 H25 DQX A 112 -9.898 6.229 22.175 1.00 0.06 H HETATM 2664 H26 DQX A 112 -10.286 7.055 20.628 1.00 0.06 H HETATM 2665 H23 DQX A 112 -7.937 7.448 21.487 1.00 0.08 H HETATM 2666 H24 DQX A 112 -8.895 8.938 21.187 1.00 0.08 H HETATM 2667 H22 DQX A 112 -8.385 7.607 23.630 1.00 0.20 H HETATM 2668 H20 DQX A 112 -7.410 9.480 24.352 1.00 0.10 H HETATM 2669 H21 DQX A 112 -6.597 8.472 23.107 1.00 0.10 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 2604 2605 CONECT 2605 2604 2606 2610 CONECT 2606 2605 2607 2652 CONECT 2607 2606 2608 2651 CONECT 2608 2607 2609 2650 CONECT 2609 2608 2610 2612 CONECT 2610 2605 2609 2611 CONECT 2611 2610 CONECT 2612 2609 2613 2621 CONECT 2613 2612 2614 2618 CONECT 2614 2613 2615 CONECT 2615 2614 2616 2626 CONECT 2616 2615 2617 2625 CONECT 2617 2616 2618 CONECT 2618 2613 2617 2619 CONECT 2619 2618 2620 2624 CONECT 2620 2619 2621 2623 CONECT 2621 2612 2620 2622 CONECT 2622 2621 CONECT 2623 2620 CONECT 2624 2619 CONECT 2625 2616 CONECT 2626 2615 2627 2630 CONECT 2627 2626 2628 2649 CONECT 2628 2627 2629 2632 CONECT 2629 2628 2630 CONECT 2630 2626 2629 2631 CONECT 2631 2630 CONECT 2632 2628 2633 2637 2648 CONECT 2633 2632 2634 2646 2647 CONECT 2634 2633 2635 2644 2645 CONECT 2635 2634 2636 2642 2643 CONECT 2636 2635 2637 2640 2641 CONECT 2637 2632 2636 2638 2639 CONECT 2638 2637 CONECT 2639 2637 CONECT 2640 2636 CONECT 2641 2636 CONECT 2642 2635 CONECT 2643 2635 CONECT 2644 2634 CONECT 2645 2634 CONECT 2646 2633 CONECT 2647 2633 CONECT 2648 2632 CONECT 2649 2627 CONECT 2650 2608 CONECT 2651 2607 CONECT 2652 2606 2653 2668 2669 CONECT 2653 2652 2654 2658 2667 CONECT 2654 2653 2655 2665 2666 CONECT 2655 2654 2656 2663 2664 CONECT 2656 2655 2657 CONECT 2657 2656 2658 2661 2662 CONECT 2658 2653 2657 2659 2660 CONECT 2659 2658 CONECT 2660 2658 CONECT 2661 2657 CONECT 2662 2657 CONECT 2663 2655 CONECT 2664 2655 CONECT 2665 2654 CONECT 2666 2654 CONECT 2667 2653 CONECT 2668 2652 CONECT 2669 2652 MASTER 0 0 0 0 0 0 0 0 2668 1 70 21 END
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Related entries of code: 5ut4
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
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PDBbind
289aa, >4FVQ_1|Chain... *
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289aa, >4FVR_1|Chain... at 99%
5usz
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PDBbind
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5ut0
RCSB PDB
PDBbind
289aa, >5UT0_1|Chain... at 100%
5ut6
RCSB PDB
PDBbind
289aa, >5UT6_1|Chain... at 100%
6g3c
RCSB PDB
PDBbind
272aa, >6G3C_1|Chains... at 99%
5win
RCSB PDB
PDBbind
277aa, >5WIN_1|Chain... at 100%
5wik
RCSB PDB
PDBbind
277aa, >5WIK_1|Chain... at 100%
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RCSB PDB
PDBbind
277aa, >5WIJ_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
3krr
RCSB PDB
PDBbind
DQX
Entry Information
PDB ID
5ut4
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Tyrosine-protein kinase JAK2
Ligand Name
DQX
EC.Number
E.C.-.-.-.-
Resolution
2(Å)
Affinity (Kd/Ki/IC50)
Kd=42uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) ACS Med Chem Lett Vol. 8: pp. 614-617
Ligand Properties
Formula
C
2
7
H
3
0
F
2
N
6
O
Molecular Weight
492.564
Exact Mass
492.245
No. of atoms
66
No. of bonds
71
Polar Surface Area
73.88
LOGP Value
2.50 (
Computed with XLOGP3
)
4.89 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 6
Canonical SMILES
Fc1cc(cc(c1C[NH+]1CCOCC1)F)c1cccc2c1nc(cn2)c1cnn(c1)C1CC[NH2+]CC1
InChI String
InChI=1S/C27H28F2N6O/c28-23-12-18(13-24(29)22(23)17-34-8-10-36-11-9-34)21-2-1-3-25-27(21)33-26(15-31-25)19-14-32-35(16-19)20-4-6-30-7-5-20/h1-3,12-16,20,30H,4-11,17H2/p+2
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):
O60674
Entrez Gene ID
NCBI Entrez Gene ID:
3717
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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