Browse entries in the PDBbind-CN Database
HEADER 4MHA_COMPLEX COMPND 4MHA_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 16 VAL VAL ILE ASP ARG ASN LEU LEU ILE LEU GLY LYS ILE SEQRES 2 A 16 LEU GLY GLU SEQRES 1 A 60 GLY SER VAL MET GLU GLY ASN LEU LYS GLN GLU ASP GLY SEQRES 2 A 60 THR SER LEU LYS VAL ALA VAL LYS THR MET LYS LEU ASP SEQRES 3 A 60 ASN SER SER GLN ARG GLU ILE GLU GLU PHE LEU SER GLU SEQRES 4 A 60 ALA ALA CYS MET LYS ASP PHE SER HIS PRO ASN VAL ILE SEQRES 5 A 60 ARG LEU LEU GLY VAL CYS ILE GLU SEQRES 1 A 79 PRO LYS PRO MET VAL ILE LEU PRO PHE MET LYS TYR GLY SEQRES 2 A 79 ASP LEU HIS THR TYR LEU LEU TYR SER ARG LEU GLU THR SEQRES 3 A 79 GLY PRO LYS HIS ILE PRO LEU GLN THR LEU LEU LYS PHE SEQRES 4 A 79 MET VAL ASP ILE ALA LEU GLY MET GLU TYR LEU SER ASN SEQRES 5 A 79 ARG ASN PHE LEU HIS ARG ASP LEU ALA ALA ARG ASN CYS SEQRES 6 A 79 MET LEU ARG ASP ASP MET THR VAL CYS VAL ALA ASP PHE SEQRES 7 A 79 GLY SEQRES 1 A 101 PRO VAL LYS TRP ILE ALA ILE GLU SER LEU ALA ASP ARG SEQRES 2 A 101 VAL TYR THR SER LYS SER ASP VAL TRP ALA PHE GLY VAL SEQRES 3 A 101 THR MET TRP GLU ILE ALA THR ARG GLY MET THR PRO TYR SEQRES 4 A 101 PRO GLY VAL GLN ASN HIS GLU MET TYR ASP TYR LEU LEU SEQRES 5 A 101 HIS GLY HIS ARG LEU LYS GLN PRO GLU ASP CYS LEU ASP SEQRES 6 A 101 GLU LEU TYR GLU ILE MET TYR SER CYS TRP ARG THR ASP SEQRES 7 A 101 PRO LEU ASP ARG PRO THR PHE SER VAL LEU ARG LEU GLN SEQRES 8 A 101 LEU GLU LYS LEU LEU GLU SER LEU PRO ASP HET UNN A 264 65 ATOM 1 N VAL A 580 10.979 -12.653 31.803 1.00 33.76 N ATOM 2 CA VAL A 580 10.713 -11.493 30.961 1.00 54.44 C ATOM 3 C VAL A 580 11.622 -11.488 29.736 1.00 51.55 C ATOM 4 O VAL A 580 11.255 -10.971 28.681 1.00 54.46 O ATOM 5 CB VAL A 580 10.903 -10.172 31.738 1.00 57.86 C ATOM 6 CG1 VAL A 580 9.816 -10.011 32.793 1.00 65.41 C ATOM 7 CG2 VAL A 580 12.288 -10.115 32.375 1.00 55.23 C ATOM 8 HN3 VAL A 580 11.969 -12.629 32.121 1.00 0.00 H ATOM 9 HN2 VAL A 580 10.810 -13.522 31.257 1.00 0.00 H ATOM 10 HN1 VAL A 580 10.348 -12.632 32.629 1.00 0.00 H ATOM 11 N VAL A 581 12.806 -12.072 29.881 1.00 47.26 N ATOM 12 CA VAL A 581 13.779 -12.109 28.797 1.00 47.54 C ATOM 13 C VAL A 581 13.325 -13.056 27.690 1.00 33.05 C ATOM 14 O VAL A 581 12.800 -14.137 27.961 1.00 46.28 O ATOM 15 CB VAL A 581 15.167 -12.548 29.303 1.00 43.50 C ATOM 16 CG1 VAL A 581 16.179 -12.543 28.162 1.00 35.08 C ATOM 17 CG2 VAL A 581 15.637 -11.639 30.431 1.00 49.68 C ATOM 18 H VAL A 581 13.045 -12.514 30.792 1.00 0.00 H ATOM 19 N ILE A 582 13.533 -12.636 26.446 1.00 37.22 N ATOM 20 CA ILE A 582 13.219 -13.453 25.278 1.00 44.58 C ATOM 21 C ILE A 582 14.464 -13.577 24.408 1.00 43.42 C ATOM 22 O ILE A 582 15.253 -12.637 24.305 1.00 52.24 O ATOM 23 CB ILE A 582 12.062 -12.852 24.449 1.00 34.87 C ATOM 24 CG1 ILE A 582 10.813 -12.682 25.319 1.00 49.28 C ATOM 25 CG2 ILE A 582 11.753 -13.736 23.239 1.00 49.59 C ATOM 26 CD1 ILE A 582 9.677 -11.934 24.641 1.00 41.94 C ATOM 27 H ILE A 582 13.935 -11.688 26.299 1.00 0.00 H ATOM 28 N ASP A 583 14.638 -14.740 23.789 1.00 45.94 N ATOM 29 CA ASP A 583 15.778 -14.972 22.911 1.00 49.81 C ATOM 30 C ASP A 583 15.745 -14.005 21.731 1.00 39.95 C ATOM 31 O ASP A 583 14.714 -13.840 21.079 1.00 46.66 O ATOM 32 CB ASP A 583 15.788 -16.418 22.414 1.00 44.49 C ATOM 33 CG ASP A 583 15.842 -17.423 23.549 1.00 53.55 C ATOM 34 OD1 ASP A 583 16.430 -17.101 24.602 1.00 54.71 O ATOM 35 OD2 ASP A 583 15.296 -18.535 23.387 1.00 58.81 O ATOM 36 H ASP A 583 13.945 -15.502 23.934 1.00 0.00 H ATOM 37 N ARG A 584 16.881 -13.366 21.469 1.00 33.85 N ATOM 38 CA ARG A 584 16.976 -12.354 20.421 1.00 37.14 C ATOM 39 C ARG A 584 16.704 -12.934 19.035 1.00 40.98 C ATOM 40 O ARG A 584 16.253 -12.224 18.136 1.00 50.34 O ATOM 41 CB ARG A 584 18.360 -11.697 20.451 1.00 31.82 C ATOM 42 CG ARG A 584 18.616 -10.684 19.340 1.00 49.72 C ATOM 43 CD ARG A 584 17.592 -9.557 19.345 1.00 52.18 C ATOM 44 NE ARG A 584 17.836 -8.595 18.273 1.00 38.75 N ATOM 45 CZ ARG A 584 17.448 -8.758 17.011 1.00 58.73 C ATOM 46 NH1 ARG A 584 16.795 -9.853 16.643 1.00 54.53 N ATOM 47 NH2 ARG A 584 17.718 -7.824 16.110 1.00 57.27 N ATOM 48 HE ARG A 584 18.348 -7.722 18.513 1.00 0.00 H ATOM 49 HH12 ARG A 584 16.495 -9.972 15.654 1.00 0.00 H ATOM 50 HH11 ARG A 584 16.583 -10.592 17.343 1.00 0.00 H ATOM 51 HH22 ARG A 584 17.415 -7.950 15.123 1.00 0.00 H ATOM 52 HH21 ARG A 584 18.233 -6.965 16.390 1.00 0.00 H ATOM 53 H ARG A 584 17.728 -13.594 22.028 1.00 0.00 H ATOM 54 N ASN A 585 16.977 -14.225 18.872 1.00 43.21 N ATOM 55 CA ASN A 585 16.779 -14.899 17.594 1.00 44.69 C ATOM 56 C ASN A 585 15.309 -14.937 17.189 1.00 40.26 C ATOM 57 O ASN A 585 14.983 -15.085 16.011 1.00 41.06 O ATOM 58 CB ASN A 585 17.335 -16.322 17.657 1.00 46.27 C ATOM 59 CG ASN A 585 18.786 -16.362 18.094 1.00 43.92 C ATOM 60 OD1 ASN A 585 19.697 -16.253 17.273 1.00 44.40 O ATOM 61 ND2 ASN A 585 19.008 -16.519 19.394 1.00 38.00 N ATOM 62 HD22 ASN A 585 18.207 -16.607 20.051 1.00 0.00 H ATOM 63 HD21 ASN A 585 19.983 -16.554 19.755 1.00 0.00 H ATOM 64 H ASN A 585 17.342 -14.770 19.679 1.00 0.00 H ATOM 65 N LEU A 586 14.425 -14.801 18.173 1.00 34.34 N ATOM 66 CA LEU A 586 12.985 -14.841 17.930 1.00 37.83 C ATOM 67 C LEU A 586 12.435 -13.489 17.476 1.00 37.25 C ATOM 68 O LEU A 586 11.226 -13.340 17.287 1.00 35.84 O ATOM 69 CB LEU A 586 12.246 -15.295 19.194 1.00 37.09 C ATOM 70 CG LEU A 586 12.541 -16.707 19.707 1.00 39.93 C ATOM 71 CD1 LEU A 586 11.845 -16.941 21.039 1.00 40.07 C ATOM 72 CD2 LEU A 586 12.120 -17.760 18.692 1.00 31.60 C ATOM 73 H LEU A 586 14.769 -14.662 19.145 1.00 0.00 H ATOM 74 N LEU A 587 13.321 -12.510 17.300 1.00 34.48 N ATOM 75 CA LEU A 587 12.911 -11.152 16.950 1.00 40.37 C ATOM 76 C LEU A 587 13.613 -10.648 15.691 1.00 42.69 C ATOM 77 O LEU A 587 14.842 -10.649 15.610 1.00 41.90 O ATOM 78 CB LEU A 587 13.194 -10.200 18.116 1.00 35.17 C ATOM 79 CG LEU A 587 12.632 -8.781 17.983 1.00 42.66 C ATOM 80 CD1 LEU A 587 11.113 -8.791 18.092 1.00 41.16 C ATOM 81 CD2 LEU A 587 13.242 -7.861 19.030 1.00 49.53 C ATOM 82 H LEU A 587 14.333 -12.718 17.415 1.00 0.00 H ATOM 83 N ILE A 588 12.814 -10.222 14.716 1.00 39.16 N ATOM 84 CA ILE A 588 13.320 -9.614 13.490 1.00 45.76 C ATOM 85 C ILE A 588 12.841 -8.166 13.412 1.00 43.69 C ATOM 86 O ILE A 588 11.640 -7.907 13.356 1.00 39.14 O ATOM 87 CB ILE A 588 12.857 -10.387 12.232 1.00 40.38 C ATOM 88 CG1 ILE A 588 13.566 -11.741 12.136 1.00 38.61 C ATOM 89 CG2 ILE A 588 13.140 -9.587 10.966 1.00 42.37 C ATOM 90 CD1 ILE A 588 12.951 -12.831 12.987 1.00 54.68 C ATOM 91 H ILE A 588 11.786 -10.327 14.833 1.00 0.00 H ATOM 92 N LEU A 589 13.786 -7.229 13.405 1.00 42.78 N ATOM 93 CA LEU A 589 13.464 -5.804 13.393 1.00 22.14 C ATOM 94 C LEU A 589 13.301 -5.275 11.970 1.00 14.97 C ATOM 95 O LEU A 589 13.606 -5.972 11.002 1.00 52.13 O ATOM 96 CB LEU A 589 14.551 -5.013 14.125 1.00 35.48 C ATOM 97 CG LEU A 589 14.602 -5.228 15.640 1.00 44.85 C ATOM 98 CD1 LEU A 589 15.922 -4.738 16.218 1.00 49.79 C ATOM 99 CD2 LEU A 589 13.434 -4.527 16.317 1.00 35.32 C ATOM 100 H LEU A 589 14.784 -7.520 13.408 1.00 0.00 H ATOM 101 N GLY A 590 12.822 -4.040 11.851 1.00 27.82 N ATOM 102 CA GLY A 590 12.591 -3.432 10.553 1.00 42.24 C ATOM 103 C GLY A 590 12.616 -1.914 10.583 1.00 37.18 C ATOM 104 O GLY A 590 13.605 -1.307 10.996 1.00 37.94 O ATOM 105 H GLY A 590 12.607 -3.495 12.711 1.00 0.00 H ATOM 106 N LYS A 591 11.521 -1.302 10.143 1.00 45.50 N ATOM 107 CA LYS A 591 11.439 0.151 10.025 1.00 38.92 C ATOM 108 C LYS A 591 11.469 0.856 11.379 1.00 40.46 C ATOM 109 O LYS A 591 11.315 0.227 12.426 1.00 50.78 O ATOM 110 CB LYS A 591 10.165 0.552 9.278 1.00 44.75 C ATOM 111 CG LYS A 591 10.125 0.124 7.821 1.00 52.96 C ATOM 112 CD LYS A 591 8.811 0.529 7.169 1.00 53.97 C ATOM 113 CE LYS A 591 8.835 0.309 5.666 1.00 82.01 C ATOM 114 NZ LYS A 591 9.079 -1.114 5.306 1.00 56.21 N ATOM 115 HZ1 LYS A 591 9.997 -1.415 5.690 1.00 0.00 H ATOM 116 HZ2 LYS A 591 8.323 -1.706 5.706 1.00 0.00 H ATOM 117 HZ3 LYS A 591 9.086 -1.212 4.271 1.00 0.00 H ATOM 118 H LYS A 591 10.697 -1.876 9.874 1.00 0.00 H ATOM 119 N ILE A 592 11.668 2.171 11.335 1.00 35.19 N ATOM 120 CA ILE A 592 11.615 3.015 12.524 1.00 25.01 C ATOM 121 C ILE A 592 10.237 3.662 12.628 1.00 33.52 C ATOM 122 O ILE A 592 9.759 4.272 11.672 1.00 36.53 O ATOM 123 CB ILE A 592 12.694 4.118 12.491 1.00 28.02 C ATOM 124 CG1 ILE A 592 14.076 3.520 12.208 1.00 49.18 C ATOM 125 CG2 ILE A 592 12.704 4.900 13.800 1.00 26.64 C ATOM 126 CD1 ILE A 592 14.536 2.494 13.225 1.00 36.70 C ATOM 127 H ILE A 592 11.869 2.615 10.416 1.00 0.00 H ATOM 128 N LEU A 593 9.608 3.528 13.792 1.00 41.93 N ATOM 129 CA LEU A 593 8.267 4.063 14.010 1.00 36.67 C ATOM 130 C LEU A 593 8.318 5.423 14.701 1.00 38.15 C ATOM 131 O LEU A 593 7.448 6.268 14.493 1.00 42.74 O ATOM 132 CB LEU A 593 7.433 3.085 14.839 1.00 43.87 C ATOM 133 CG LEU A 593 7.318 1.666 14.276 1.00 31.57 C ATOM 134 CD1 LEU A 593 6.526 0.781 15.226 1.00 38.97 C ATOM 135 CD2 LEU A 593 6.678 1.678 12.895 1.00 34.49 C ATOM 136 H LEU A 593 10.085 3.028 14.569 1.00 0.00 H ATOM 137 N GLY A 594 9.341 5.624 15.526 1.00 44.48 N ATOM 138 CA GLY A 594 9.511 6.875 16.242 1.00 32.96 C ATOM 139 C GLY A 594 10.945 7.069 16.694 1.00 44.85 C ATOM 140 O GLY A 594 11.721 6.114 16.749 1.00 53.23 O ATOM 141 H GLY A 594 10.038 4.864 15.662 1.00 0.00 H ATOM 142 N GLU A 595 11.299 8.309 17.018 1.00 46.49 N ATOM 143 CA GLU A 595 12.655 8.626 17.452 1.00 60.61 C ATOM 144 C GLU A 595 12.699 9.975 18.162 1.00 38.74 C ATOM 145 O GLU A 595 11.887 10.859 17.888 1.00 66.97 O ATOM 146 CB GLU A 595 13.609 8.631 16.256 1.00 58.58 C ATOM 147 CG GLU A 595 14.971 8.024 16.550 1.00 56.70 C ATOM 148 CD GLU A 595 15.878 8.008 15.335 1.00 67.91 C ATOM 149 OE1 GLU A 595 15.495 8.588 14.297 1.00 66.98 O ATOM 150 OE2 GLU A 595 16.972 7.412 15.416 1.00 57.28 O ATOM 151 H GLU A 595 10.593 9.070 16.961 1.00 0.00 H TER 152 GLU A 595 ATOM 153 N GLY A 599 15.347 6.841 23.791 1.00 47.31 N ATOM 154 CA GLY A 599 15.891 5.964 22.771 1.00 61.56 C ATOM 155 C GLY A 599 15.156 6.101 21.451 1.00 59.15 C ATOM 156 O GLY A 599 15.086 7.190 20.880 1.00 67.96 O ATOM 157 HN3 GLY A 599 14.346 6.606 23.950 1.00 0.00 H ATOM 158 HN2 GLY A 599 15.427 7.829 23.476 1.00 0.00 H ATOM 159 HN1 GLY A 599 15.879 6.714 24.675 1.00 0.00 H ATOM 160 N SER A 600 14.607 4.991 20.969 1.00 54.84 N ATOM 161 CA SER A 600 13.880 4.975 19.705 1.00 65.19 C ATOM 162 C SER A 600 12.895 3.811 19.670 1.00 43.38 C ATOM 163 O SER A 600 12.905 2.955 20.556 1.00 52.72 O ATOM 164 CB SER A 600 14.854 4.881 18.528 1.00 62.35 C ATOM 165 OG SER A 600 15.622 3.691 18.594 1.00 64.17 O ATOM 166 HG SER A 600 16.141 3.681 19.437 1.00 0.00 H ATOM 167 H SER A 600 14.699 4.107 21.509 1.00 0.00 H ATOM 168 N VAL A 601 12.047 3.791 18.645 1.00 37.57 N ATOM 169 CA VAL A 601 11.045 2.742 18.478 1.00 44.84 C ATOM 170 C VAL A 601 11.207 2.071 17.116 1.00 38.17 C ATOM 171 O VAL A 601 11.514 2.733 16.124 1.00 50.72 O ATOM 172 CB VAL A 601 9.617 3.305 18.607 1.00 43.02 C ATOM 173 CG1 VAL A 601 8.592 2.182 18.556 1.00 26.84 C ATOM 174 CG2 VAL A 601 9.473 4.096 19.901 1.00 41.00 C ATOM 175 H VAL A 601 12.100 4.551 17.937 1.00 0.00 H ATOM 176 N MET A 602 10.996 0.758 17.076 1.00 45.12 N ATOM 177 CA MET A 602 11.166 -0.015 15.850 1.00 39.46 C ATOM 178 C MET A 602 10.102 -1.101 15.738 1.00 37.00 C ATOM 179 O MET A 602 9.717 -1.708 16.736 1.00 37.37 O ATOM 180 CB MET A 602 12.558 -0.653 15.806 1.00 35.25 C ATOM 181 CG MET A 602 13.708 0.312 16.072 1.00 45.52 C ATOM 182 SD MET A 602 15.318 -0.503 16.097 1.00 82.83 S ATOM 183 CE MET A 602 15.429 -1.116 14.417 1.00 39.95 C ATOM 184 H MET A 602 10.701 0.268 17.945 1.00 0.00 H ATOM 185 N GLU A 603 9.630 -1.344 14.519 1.00 36.51 N ATOM 186 CA GLU A 603 8.688 -2.429 14.275 1.00 30.88 C ATOM 187 C GLU A 603 9.438 -3.755 14.218 1.00 33.79 C ATOM 188 O GLU A 603 10.662 -3.775 14.086 1.00 39.57 O ATOM 189 CB GLU A 603 7.914 -2.199 12.975 1.00 27.28 C ATOM 190 CG GLU A 603 8.779 -2.190 11.724 1.00 53.37 C ATOM 191 CD GLU A 603 7.958 -2.083 10.454 1.00 46.58 C ATOM 192 OE1 GLU A 603 6.734 -1.854 10.552 1.00 68.56 O ATOM 193 OE2 GLU A 603 8.536 -2.232 9.356 1.00 46.33 O ATOM 194 H GLU A 603 9.939 -0.748 13.724 1.00 0.00 H ATOM 195 N GLY A 604 8.707 -4.860 14.315 1.00 27.93 N ATOM 196 CA GLY A 604 9.322 -6.171 14.248 1.00 38.42 C ATOM 197 C GLY A 604 8.330 -7.314 14.337 1.00 29.36 C ATOM 198 O GLY A 604 7.141 -7.099 14.573 1.00 27.82 O ATOM 199 H GLY A 604 7.678 -4.783 14.441 1.00 0.00 H ATOM 200 N ASN A 605 8.832 -8.532 14.144 1.00 30.99 N ATOM 201 CA ASN A 605 8.011 -9.738 14.202 1.00 34.46 C ATOM 202 C ASN A 605 8.504 -10.700 15.278 1.00 33.36 C ATOM 203 O ASN A 605 9.596 -11.258 15.170 1.00 39.55 O ATOM 204 CB ASN A 605 8.002 -10.442 12.844 1.00 26.45 C ATOM 205 CG ASN A 605 7.462 -9.562 11.735 1.00 43.25 C ATOM 206 OD1 ASN A 605 6.717 -8.614 11.984 1.00 33.32 O ATOM 207 ND2 ASN A 605 7.834 -9.875 10.499 1.00 24.11 N ATOM 208 HD22 ASN A 605 8.465 -10.685 10.335 1.00 0.00 H ATOM 209 HD21 ASN A 605 7.494 -9.310 9.695 1.00 0.00 H ATOM 210 H ASN A 605 9.848 -8.628 13.944 1.00 0.00 H ATOM 211 N LEU A 606 7.690 -10.890 16.312 1.00 38.56 N ATOM 212 CA LEU A 606 8.028 -11.791 17.409 1.00 34.54 C ATOM 213 C LEU A 606 7.504 -13.197 17.141 1.00 24.22 C ATOM 214 O LEU A 606 6.295 -13.416 17.074 1.00 21.93 O ATOM 215 CB LEU A 606 7.461 -11.262 18.729 1.00 30.89 C ATOM 216 CG LEU A 606 7.674 -12.143 19.963 1.00 24.57 C ATOM 217 CD1 LEU A 606 9.156 -12.341 20.243 1.00 19.87 C ATOM 218 CD2 LEU A 606 6.974 -11.539 21.168 1.00 23.72 C ATOM 219 H LEU A 606 6.784 -10.380 16.340 1.00 0.00 H ATOM 220 N LYS A 607 8.421 -14.148 16.991 1.00 30.46 N ATOM 221 CA LYS A 607 8.050 -15.539 16.763 1.00 38.31 C ATOM 222 C LYS A 607 7.641 -16.192 18.080 1.00 32.73 C ATOM 223 O LYS A 607 8.486 -16.518 18.915 1.00 45.52 O ATOM 224 CB LYS A 607 9.207 -16.303 16.115 1.00 37.76 C ATOM 225 CG LYS A 607 8.816 -17.656 15.544 1.00 52.69 C ATOM 226 CD LYS A 607 9.911 -18.212 14.647 1.00 55.96 C ATOM 227 CE LYS A 607 9.481 -19.508 13.978 1.00 58.84 C ATOM 228 NZ LYS A 607 9.247 -20.600 14.961 1.00 83.76 N ATOM 229 HZ1 LYS A 607 10.125 -20.784 15.488 1.00 0.00 H ATOM 230 HZ2 LYS A 607 8.497 -20.314 15.623 1.00 0.00 H ATOM 231 HZ3 LYS A 607 8.956 -21.462 14.457 1.00 0.00 H ATOM 232 H LYS A 607 9.428 -13.893 17.038 1.00 0.00 H ATOM 233 N GLN A 608 6.337 -16.376 18.258 1.00 43.66 N ATOM 234 CA GLN A 608 5.790 -16.900 19.505 1.00 39.09 C ATOM 235 C GLN A 608 6.128 -18.375 19.708 1.00 38.95 C ATOM 236 O GLN A 608 6.787 -18.995 18.873 1.00 28.19 O ATOM 237 CB GLN A 608 4.272 -16.712 19.531 1.00 40.09 C ATOM 238 CG GLN A 608 3.822 -15.261 19.496 1.00 36.77 C ATOM 239 CD GLN A 608 2.315 -15.124 19.393 1.00 49.01 C ATOM 240 OE1 GLN A 608 1.666 -15.846 18.636 1.00 50.61 O ATOM 241 NE2 GLN A 608 1.751 -14.200 20.161 1.00 50.86 N ATOM 242 HE22 GLN A 608 2.340 -13.613 20.786 1.00 0.00 H ATOM 243 HE21 GLN A 608 0.720 -14.063 20.138 1.00 0.00 H ATOM 244 H GLN A 608 5.685 -16.139 17.483 1.00 0.00 H ATOM 245 N GLU A 609 5.667 -18.926 20.827 1.00 44.27 N ATOM 246 CA GLU A 609 5.903 -20.328 21.154 1.00 56.72 C ATOM 247 C GLU A 609 5.005 -21.247 20.332 1.00 48.37 C ATOM 248 O GLU A 609 5.345 -22.407 20.093 1.00 34.80 O ATOM 249 CB GLU A 609 5.670 -20.572 22.647 1.00 60.43 C ATOM 250 CG GLU A 609 6.630 -19.821 23.555 1.00 67.89 C ATOM 251 CD GLU A 609 6.372 -20.086 25.026 1.00 91.61 C ATOM 252 OE1 GLU A 609 7.176 -19.627 25.864 1.00103.45 O ATOM 253 OE2 GLU A 609 5.365 -20.752 25.345 1.00 96.79 O ATOM 254 H GLU A 609 5.121 -18.339 21.490 1.00 0.00 H ATOM 255 N ASP A 610 3.861 -20.725 19.899 1.00 42.70 N ATOM 256 CA ASP A 610 2.911 -21.506 19.113 1.00 41.64 C ATOM 257 C ASP A 610 3.286 -21.534 17.630 1.00 25.49 C ATOM 258 O ASP A 610 2.507 -21.993 16.794 1.00 25.83 O ATOM 259 CB ASP A 610 1.489 -20.956 19.290 1.00 27.89 C ATOM 260 CG ASP A 610 1.397 -19.461 19.036 1.00 47.32 C ATOM 261 OD1 ASP A 610 2.209 -18.932 18.250 1.00 33.95 O ATOM 262 OD2 ASP A 610 0.507 -18.814 19.627 1.00 69.07 O ATOM 263 H ASP A 610 3.638 -19.735 20.126 1.00 0.00 H ATOM 264 N GLY A 611 4.479 -21.039 17.310 1.00 33.39 N ATOM 265 CA GLY A 611 4.991 -21.088 15.952 1.00 46.58 C ATOM 266 C GLY A 611 4.568 -19.909 15.095 1.00 32.44 C ATOM 267 O GLY A 611 5.130 -19.687 14.022 1.00 48.23 O ATOM 268 H GLY A 611 5.062 -20.604 18.054 1.00 0.00 H ATOM 269 N THR A 612 3.581 -19.152 15.564 1.00 30.85 N ATOM 270 CA THR A 612 3.065 -18.015 14.808 1.00 33.31 C ATOM 271 C THR A 612 3.884 -16.756 15.075 1.00 33.73 C ATOM 272 O THR A 612 4.282 -16.493 16.210 1.00 44.18 O ATOM 273 CB THR A 612 1.591 -17.729 15.150 1.00 38.16 C ATOM 274 OG1 THR A 612 1.495 -17.218 16.486 1.00 39.61 O ATOM 275 CG2 THR A 612 0.753 -18.994 15.024 1.00 29.50 C ATOM 276 HG1 THR A 612 1.856 -17.887 17.121 1.00 0.00 H ATOM 277 H THR A 612 3.167 -19.375 16.491 1.00 0.00 H ATOM 278 N SER A 613 4.130 -15.984 14.020 1.00 52.66 N ATOM 279 CA SER A 613 4.868 -14.731 14.133 1.00 21.49 C ATOM 280 C SER A 613 3.920 -13.574 14.432 1.00 21.67 C ATOM 281 O SER A 613 2.953 -13.349 13.702 1.00 30.69 O ATOM 282 CB SER A 613 5.650 -14.453 12.847 1.00 19.66 C ATOM 283 OG SER A 613 6.598 -15.476 12.596 1.00 51.58 O ATOM 284 HG SER A 613 7.089 -15.272 11.761 1.00 0.00 H ATOM 285 H SER A 613 3.785 -16.283 13.085 1.00 0.00 H ATOM 286 N LEU A 614 4.206 -12.845 15.508 1.00 26.31 N ATOM 287 CA LEU A 614 3.367 -11.733 15.942 1.00 23.07 C ATOM 288 C LEU A 614 4.011 -10.390 15.615 1.00 32.99 C ATOM 289 O LEU A 614 5.182 -10.164 15.919 1.00 23.14 O ATOM 290 CB LEU A 614 3.098 -11.825 17.447 1.00 37.67 C ATOM 291 CG LEU A 614 2.222 -10.722 18.049 1.00 28.37 C ATOM 292 CD1 LEU A 614 0.802 -10.802 17.508 1.00 32.92 C ATOM 293 CD2 LEU A 614 2.227 -10.802 19.567 1.00 42.26 C ATOM 294 H LEU A 614 5.057 -13.076 16.059 1.00 0.00 H ATOM 295 N LYS A 615 3.238 -9.502 14.998 1.00 32.54 N ATOM 296 CA LYS A 615 3.704 -8.151 14.713 1.00 20.23 C ATOM 297 C LYS A 615 3.835 -7.370 16.017 1.00 28.47 C ATOM 298 O LYS A 615 2.863 -7.229 16.761 1.00 29.23 O ATOM 299 CB LYS A 615 2.745 -7.440 13.755 1.00 27.15 C ATOM 300 CG LYS A 615 3.232 -6.082 13.267 1.00 12.20 C ATOM 301 CD LYS A 615 4.448 -6.211 12.364 1.00 27.11 C ATOM 302 CE LYS A 615 4.866 -4.864 11.798 1.00 48.98 C ATOM 303 NZ LYS A 615 6.043 -4.979 10.894 1.00 40.78 N ATOM 304 HZ1 LYS A 615 6.847 -5.373 11.422 1.00 0.00 H ATOM 305 HZ2 LYS A 615 5.808 -5.607 10.099 1.00 0.00 H ATOM 306 HZ3 LYS A 615 6.293 -4.037 10.531 1.00 0.00 H ATOM 307 H LYS A 615 2.277 -9.778 14.712 1.00 0.00 H ATOM 308 N VAL A 616 5.037 -6.869 16.287 1.00 20.98 N ATOM 309 CA VAL A 616 5.326 -6.190 17.546 1.00 25.97 C ATOM 310 C VAL A 616 6.156 -4.926 17.346 1.00 27.26 C ATOM 311 O VAL A 616 6.856 -4.780 16.343 1.00 26.17 O ATOM 312 CB VAL A 616 6.081 -7.120 18.520 1.00 42.66 C ATOM 313 CG1 VAL A 616 5.203 -8.293 18.927 1.00 32.16 C ATOM 314 CG2 VAL A 616 7.384 -7.610 17.895 1.00 25.00 C ATOM 315 H VAL A 616 5.794 -6.964 15.580 1.00 0.00 H ATOM 316 N ALA A 617 6.065 -4.020 18.315 1.00 38.98 N ATOM 317 CA ALA A 617 6.901 -2.827 18.350 1.00 25.74 C ATOM 318 C ALA A 617 8.052 -3.052 19.323 1.00 29.14 C ATOM 319 O ALA A 617 7.911 -3.792 20.299 1.00 41.30 O ATOM 320 CB ALA A 617 6.086 -1.614 18.756 1.00 21.83 C ATOM 321 H ALA A 617 5.372 -4.168 19.076 1.00 0.00 H ATOM 322 N VAL A 618 9.185 -2.411 19.054 1.00 18.78 N ATOM 323 CA VAL A 618 10.391 -2.602 19.851 1.00 26.55 C ATOM 324 C VAL A 618 11.005 -1.259 20.235 1.00 24.96 C ATOM 325 O VAL A 618 11.535 -0.541 19.385 1.00 26.48 O ATOM 326 CB VAL A 618 11.434 -3.444 19.093 1.00 29.84 C ATOM 327 CG1 VAL A 618 12.641 -3.720 19.975 1.00 32.91 C ATOM 328 CG2 VAL A 618 10.815 -4.754 18.620 1.00 25.76 C ATOM 329 H VAL A 618 9.212 -1.752 18.250 1.00 0.00 H ATOM 330 N LYS A 619 10.928 -0.932 21.522 1.00 34.22 N ATOM 331 CA LYS A 619 11.467 0.320 22.041 1.00 34.34 C ATOM 332 C LYS A 619 12.841 0.105 22.668 1.00 43.24 C ATOM 333 O LYS A 619 12.993 -0.694 23.593 1.00 32.37 O ATOM 334 CB LYS A 619 10.508 0.926 23.068 1.00 34.09 C ATOM 335 CG LYS A 619 11.050 2.159 23.780 1.00 53.05 C ATOM 336 CD LYS A 619 9.996 2.792 24.673 1.00 75.38 C ATOM 337 CE LYS A 619 10.586 3.896 25.536 1.00 79.36 C ATOM 338 NZ LYS A 619 11.240 4.960 24.725 1.00 75.37 N ATOM 339 HZ1 LYS A 619 12.010 4.543 24.164 1.00 0.00 H ATOM 340 HZ2 LYS A 619 10.539 5.389 24.088 1.00 0.00 H ATOM 341 HZ3 LYS A 619 11.626 5.689 25.358 1.00 0.00 H ATOM 342 H LYS A 619 10.468 -1.592 22.181 1.00 0.00 H ATOM 343 N THR A 620 13.838 0.823 22.161 1.00 48.66 N ATOM 344 CA THR A 620 15.189 0.750 22.704 1.00 54.91 C ATOM 345 C THR A 620 15.292 1.585 23.977 1.00 60.04 C ATOM 346 O THR A 620 14.541 2.543 24.159 1.00 68.67 O ATOM 347 CB THR A 620 16.237 1.236 21.685 1.00 57.08 C ATOM 348 OG1 THR A 620 15.963 2.595 21.321 1.00 75.93 O ATOM 349 CG2 THR A 620 16.217 0.362 20.438 1.00 48.06 C ATOM 350 HG1 THR A 620 15.061 2.652 20.917 1.00 0.00 H ATOM 351 H THR A 620 13.649 1.454 21.356 1.00 0.00 H ATOM 352 N MET A 621 16.226 1.213 24.850 1.00 67.99 N ATOM 353 CA MET A 621 16.409 1.891 26.130 1.00 68.64 C ATOM 354 C MET A 621 17.873 2.242 26.373 1.00 65.11 C ATOM 355 O MET A 621 18.725 1.358 26.481 1.00 72.93 O ATOM 356 CB MET A 621 15.890 1.013 27.272 1.00 77.09 C ATOM 357 CG MET A 621 14.387 0.782 27.242 1.00 77.91 C ATOM 358 SD MET A 621 13.430 2.284 27.530 1.00 87.33 S ATOM 359 CE MET A 621 13.835 2.631 29.241 1.00 83.38 C ATOM 360 H MET A 621 16.846 0.413 24.612 1.00 0.00 H ATOM 361 N LYS A 622 18.154 3.539 26.459 1.00 73.54 N ATOM 362 CA LYS A 622 19.496 4.025 26.762 1.00 74.00 C ATOM 363 C LYS A 622 19.654 4.226 28.266 1.00 62.44 C ATOM 364 O LYS A 622 19.245 5.252 28.811 1.00 55.30 O ATOM 365 CB LYS A 622 19.776 5.333 26.016 1.00 69.02 C ATOM 366 CG LYS A 622 21.089 6.014 26.396 1.00 75.54 C ATOM 367 CD LYS A 622 22.282 5.080 26.249 1.00 71.42 C ATOM 368 CE LYS A 622 23.582 5.785 26.599 1.00 75.30 C ATOM 369 NZ LYS A 622 24.755 4.872 26.514 1.00 79.50 N ATOM 370 HZ1 LYS A 622 24.626 4.081 27.177 1.00 0.00 H ATOM 371 HZ2 LYS A 622 24.836 4.504 25.545 1.00 0.00 H ATOM 372 HZ3 LYS A 622 25.619 5.396 26.761 1.00 0.00 H ATOM 373 H LYS A 622 17.392 4.230 26.305 1.00 0.00 H ATOM 374 N LEU A 623 20.249 3.237 28.926 1.00 65.13 N ATOM 375 CA LEU A 623 20.445 3.274 30.371 1.00 63.97 C ATOM 376 C LEU A 623 21.887 3.621 30.721 1.00 62.30 C ATOM 377 O LEU A 623 22.779 3.536 29.876 1.00 68.82 O ATOM 378 CB LEU A 623 20.067 1.928 30.994 1.00 64.59 C ATOM 379 CG LEU A 623 18.642 1.439 30.724 1.00 64.04 C ATOM 380 CD1 LEU A 623 18.447 0.043 31.293 1.00 53.30 C ATOM 381 CD2 LEU A 623 17.615 2.402 31.302 1.00 57.55 C ATOM 382 H LEU A 623 20.586 2.409 28.394 1.00 0.00 H ATOM 383 N ASP A 624 22.107 4.012 31.973 1.00 67.58 N ATOM 384 CA ASP A 624 23.443 4.329 32.459 1.00 55.81 C ATOM 385 C ASP A 624 24.142 3.046 32.904 1.00 58.21 C ATOM 386 O ASP A 624 23.885 2.531 33.992 1.00 47.88 O ATOM 387 CB ASP A 624 23.370 5.338 33.609 1.00 46.49 C ATOM 388 CG ASP A 624 24.696 6.029 33.868 1.00 53.35 C ATOM 389 OD1 ASP A 624 24.683 7.246 34.150 1.00 54.09 O ATOM 390 OD2 ASP A 624 25.748 5.363 33.787 1.00 60.09 O ATOM 391 H ASP A 624 21.301 4.094 32.625 1.00 0.00 H ATOM 392 N ASN A 625 25.024 2.534 32.052 1.00 58.20 N ATOM 393 CA ASN A 625 25.693 1.263 32.309 1.00 57.93 C ATOM 394 C ASN A 625 26.903 1.398 33.230 1.00 65.02 C ATOM 395 O ASN A 625 27.671 0.450 33.399 1.00 58.17 O ATOM 396 CB ASN A 625 26.121 0.621 30.989 1.00 68.01 C ATOM 397 CG ASN A 625 24.942 0.268 30.104 1.00 73.13 C ATOM 398 OD1 ASN A 625 23.870 0.865 30.211 1.00 73.92 O ATOM 399 ND2 ASN A 625 25.132 -0.709 29.226 1.00 74.23 N ATOM 400 HD22 ASN A 625 26.055 -1.186 29.170 1.00 0.00 H ATOM 401 HD21 ASN A 625 24.358 -0.998 28.594 1.00 0.00 H ATOM 402 H ASN A 625 25.243 3.053 31.178 1.00 0.00 H ATOM 403 N SER A 626 27.072 2.574 33.827 1.00 68.82 N ATOM 404 CA SER A 626 28.142 2.784 34.796 1.00 64.30 C ATOM 405 C SER A 626 27.862 1.993 36.071 1.00 57.21 C ATOM 406 O SER A 626 28.767 1.729 36.863 1.00 43.36 O ATOM 407 CB SER A 626 28.295 4.271 35.121 1.00 47.25 C ATOM 408 OG SER A 626 27.138 4.776 35.763 1.00 66.48 O ATOM 409 HG SER A 626 26.355 4.661 35.168 1.00 0.00 H ATOM 410 H SER A 626 26.429 3.359 33.599 1.00 0.00 H ATOM 411 N SER A 627 26.599 1.618 36.258 1.00 59.44 N ATOM 412 CA SER A 627 26.187 0.830 37.413 1.00 49.68 C ATOM 413 C SER A 627 24.927 0.035 37.085 1.00 55.57 C ATOM 414 O SER A 627 24.213 0.358 36.134 1.00 53.37 O ATOM 415 CB SER A 627 25.941 1.734 38.621 1.00 33.69 C ATOM 416 OG SER A 627 24.918 2.676 38.350 1.00 41.16 O ATOM 417 HG SER A 627 24.778 3.248 39.146 1.00 0.00 H ATOM 418 H SER A 627 25.883 1.896 35.557 1.00 0.00 H ATOM 419 N GLN A 628 24.660 -1.002 37.873 1.00 55.19 N ATOM 420 CA GLN A 628 23.473 -1.828 37.682 1.00 51.19 C ATOM 421 C GLN A 628 22.296 -1.289 38.493 1.00 62.94 C ATOM 422 O GLN A 628 21.489 -2.055 39.018 1.00 63.49 O ATOM 423 CB GLN A 628 23.760 -3.281 38.072 1.00 70.32 C ATOM 424 CG GLN A 628 24.770 -3.977 37.175 1.00 79.66 C ATOM 425 CD GLN A 628 24.907 -5.453 37.495 1.00 87.07 C ATOM 426 OE1 GLN A 628 24.560 -5.897 38.590 1.00 87.20 O ATOM 427 NE2 GLN A 628 25.407 -6.223 36.536 1.00 78.04 N ATOM 428 HE22 GLN A 628 25.687 -5.804 35.626 1.00 0.00 H ATOM 429 HE21 GLN A 628 25.519 -7.245 36.695 1.00 0.00 H ATOM 430 H GLN A 628 25.316 -1.231 38.647 1.00 0.00 H ATOM 431 N ARG A 629 22.204 0.034 38.591 1.00 58.85 N ATOM 432 CA ARG A 629 21.132 0.677 39.343 1.00 65.34 C ATOM 433 C ARG A 629 19.886 0.847 38.477 1.00 70.64 C ATOM 434 O ARG A 629 18.783 0.478 38.881 1.00 62.80 O ATOM 435 CB ARG A 629 21.593 2.038 39.874 1.00 58.83 C ATOM 436 CG ARG A 629 20.570 2.771 40.740 1.00 66.10 C ATOM 437 CD ARG A 629 20.788 2.518 42.225 1.00 76.89 C ATOM 438 NE ARG A 629 20.599 1.118 42.595 1.00 74.84 N ATOM 439 CZ ARG A 629 20.641 0.663 43.844 1.00 77.61 C ATOM 440 NH1 ARG A 629 20.862 1.497 44.852 1.00 66.19 N ATOM 441 NH2 ARG A 629 20.458 -0.627 44.088 1.00 81.60 N ATOM 442 HE ARG A 629 20.420 0.433 41.833 1.00 0.00 H ATOM 443 HH12 ARG A 629 20.894 1.137 45.827 1.00 0.00 H ATOM 444 HH11 ARG A 629 21.003 2.511 44.667 1.00 0.00 H ATOM 445 HH22 ARG A 629 20.491 -0.981 45.065 1.00 0.00 H ATOM 446 HH21 ARG A 629 20.281 -1.285 43.302 1.00 0.00 H ATOM 447 H ARG A 629 22.916 0.627 38.118 1.00 0.00 H ATOM 448 N GLU A 630 20.070 1.407 37.285 1.00 68.75 N ATOM 449 CA GLU A 630 18.953 1.692 36.391 1.00 64.04 C ATOM 450 C GLU A 630 18.369 0.420 35.784 1.00 56.43 C ATOM 451 O GLU A 630 17.152 0.287 35.664 1.00 58.23 O ATOM 452 CB GLU A 630 19.391 2.644 35.275 1.00 67.34 C ATOM 453 CG GLU A 630 19.804 4.024 35.767 1.00 74.12 C ATOM 454 CD GLU A 630 20.123 4.981 34.634 1.00 69.33 C ATOM 455 OE1 GLU A 630 19.995 4.581 33.458 1.00 61.43 O ATOM 456 OE2 GLU A 630 20.503 6.136 34.921 1.00 59.00 O ATOM 457 H GLU A 630 21.035 1.648 36.982 1.00 0.00 H ATOM 458 N ILE A 631 19.238 -0.510 35.400 1.00 54.18 N ATOM 459 CA ILE A 631 18.792 -1.749 34.773 1.00 57.53 C ATOM 460 C ILE A 631 18.063 -2.639 35.778 1.00 55.24 C ATOM 461 O ILE A 631 17.156 -3.386 35.410 1.00 49.35 O ATOM 462 CB ILE A 631 19.972 -2.531 34.155 1.00 45.01 C ATOM 463 CG1 ILE A 631 19.454 -3.755 33.394 1.00 55.96 C ATOM 464 CG2 ILE A 631 20.969 -2.945 35.230 1.00 47.80 C ATOM 465 CD1 ILE A 631 20.489 -4.406 32.500 1.00 63.53 C ATOM 466 H ILE A 631 20.255 -0.351 35.550 1.00 0.00 H ATOM 467 N GLU A 632 18.460 -2.556 37.044 1.00 67.55 N ATOM 468 CA GLU A 632 17.808 -3.325 38.099 1.00 47.49 C ATOM 469 C GLU A 632 16.358 -2.884 38.259 1.00 51.75 C ATOM 470 O GLU A 632 15.451 -3.712 38.337 1.00 55.87 O ATOM 471 CB GLU A 632 18.558 -3.168 39.424 1.00 48.82 C ATOM 472 CG GLU A 632 17.915 -3.894 40.598 1.00 71.57 C ATOM 473 CD GLU A 632 18.711 -3.748 41.879 1.00 75.69 C ATOM 474 OE1 GLU A 632 19.755 -3.062 41.856 1.00 83.30 O ATOM 475 OE2 GLU A 632 18.295 -4.318 42.910 1.00 67.22 O ATOM 476 H GLU A 632 19.253 -1.929 37.288 1.00 0.00 H ATOM 477 N GLU A 633 16.150 -1.572 38.309 1.00 58.56 N ATOM 478 CA GLU A 633 14.809 -1.013 38.410 1.00 62.02 C ATOM 479 C GLU A 633 14.028 -1.271 37.126 1.00 56.95 C ATOM 480 O GLU A 633 12.803 -1.389 37.145 1.00 50.81 O ATOM 481 CB GLU A 633 14.877 0.488 38.699 1.00 51.11 C ATOM 482 CG GLU A 633 13.523 1.145 38.914 1.00 69.22 C ATOM 483 CD GLU A 633 13.636 2.628 39.210 1.00 76.42 C ATOM 484 OE1 GLU A 633 14.774 3.127 39.334 1.00 70.22 O ATOM 485 OE2 GLU A 633 12.585 3.295 39.317 1.00 80.35 O ATOM 486 H GLU A 633 16.966 -0.928 38.275 1.00 0.00 H ATOM 487 N PHE A 634 14.747 -1.359 36.012 1.00 50.88 N ATOM 488 CA PHE A 634 14.130 -1.617 34.717 1.00 50.67 C ATOM 489 C PHE A 634 13.647 -3.060 34.618 1.00 43.97 C ATOM 490 O PHE A 634 12.583 -3.331 34.061 1.00 56.64 O ATOM 491 CB PHE A 634 15.117 -1.311 33.589 1.00 48.33 C ATOM 492 CG PHE A 634 14.599 -1.648 32.221 1.00 44.09 C ATOM 493 CD1 PHE A 634 13.731 -0.792 31.564 1.00 67.84 C ATOM 494 CD2 PHE A 634 14.985 -2.818 31.590 1.00 49.94 C ATOM 495 CE1 PHE A 634 13.254 -1.100 30.305 1.00 74.92 C ATOM 496 CE2 PHE A 634 14.513 -3.130 30.331 1.00 54.74 C ATOM 497 CZ PHE A 634 13.647 -2.270 29.687 1.00 64.65 C ATOM 498 H PHE A 634 15.779 -1.240 36.066 1.00 0.00 H ATOM 499 N LEU A 635 14.433 -3.983 35.164 1.00 49.15 N ATOM 500 CA LEU A 635 14.076 -5.397 35.156 1.00 52.09 C ATOM 501 C LEU A 635 12.972 -5.688 36.168 1.00 59.26 C ATOM 502 O LEU A 635 12.127 -6.556 35.944 1.00 61.67 O ATOM 503 CB LEU A 635 15.303 -6.261 35.457 1.00 47.70 C ATOM 504 CG LEU A 635 16.366 -6.336 34.359 1.00 51.06 C ATOM 505 CD1 LEU A 635 17.635 -6.981 34.893 1.00 61.54 C ATOM 506 CD2 LEU A 635 15.846 -7.104 33.152 1.00 45.34 C ATOM 507 H LEU A 635 15.326 -3.689 35.609 1.00 0.00 H ATOM 508 N SER A 636 12.986 -4.961 37.280 1.00 47.66 N ATOM 509 CA SER A 636 11.976 -5.131 38.319 1.00 53.58 C ATOM 510 C SER A 636 10.602 -4.721 37.805 1.00 59.44 C ATOM 511 O SER A 636 9.611 -5.418 38.026 1.00 77.36 O ATOM 512 CB SER A 636 12.339 -4.312 39.559 1.00 56.54 C ATOM 513 OG SER A 636 11.364 -4.469 40.576 1.00 42.53 O ATOM 514 HG SER A 636 11.622 -3.930 41.365 1.00 0.00 H ATOM 515 H SER A 636 13.736 -4.253 37.413 1.00 0.00 H ATOM 516 N GLU A 637 10.550 -3.587 37.115 1.00 45.36 N ATOM 517 CA GLU A 637 9.303 -3.090 36.549 1.00 43.65 C ATOM 518 C GLU A 637 8.813 -3.997 35.424 1.00 51.80 C ATOM 519 O GLU A 637 7.610 -4.195 35.256 1.00 61.72 O ATOM 520 CB GLU A 637 9.484 -1.662 36.033 1.00 50.32 C ATOM 521 CG GLU A 637 9.664 -0.628 37.134 1.00 62.59 C ATOM 522 CD GLU A 637 10.024 0.744 36.598 1.00 74.08 C ATOM 523 OE1 GLU A 637 10.725 0.819 35.567 1.00 90.24 O ATOM 524 OE2 GLU A 637 9.605 1.750 37.209 1.00 74.95 O ATOM 525 H GLU A 637 11.423 -3.039 36.975 1.00 0.00 H ATOM 526 N ALA A 638 9.751 -4.546 34.659 1.00 48.93 N ATOM 527 CA ALA A 638 9.415 -5.428 33.546 1.00 41.67 C ATOM 528 C ALA A 638 8.713 -6.689 34.039 1.00 59.51 C ATOM 529 O ALA A 638 7.828 -7.220 33.368 1.00 60.39 O ATOM 530 CB ALA A 638 10.667 -5.792 32.765 1.00 44.19 C ATOM 531 H ALA A 638 10.751 -4.342 34.859 1.00 0.00 H ATOM 532 N ALA A 639 9.113 -7.163 35.214 1.00 58.95 N ATOM 533 CA ALA A 639 8.511 -8.352 35.806 1.00 52.82 C ATOM 534 C ALA A 639 7.067 -8.080 36.216 1.00 62.68 C ATOM 535 O ALA A 639 6.221 -8.972 36.168 1.00 56.08 O ATOM 536 CB ALA A 639 9.324 -8.816 37.004 1.00 50.86 C ATOM 537 H ALA A 639 9.875 -6.673 35.725 1.00 0.00 H ATOM 538 N CYS A 640 6.794 -6.842 36.617 1.00 48.73 N ATOM 539 CA CYS A 640 5.453 -6.443 37.027 1.00 49.70 C ATOM 540 C CYS A 640 4.613 -6.030 35.823 1.00 52.39 C ATOM 541 O CYS A 640 3.431 -6.361 35.735 1.00 60.37 O ATOM 542 CB CYS A 640 5.522 -5.294 38.035 1.00 59.87 C ATOM 543 SG CYS A 640 6.373 -5.710 39.575 1.00 85.07 S ATOM 544 H CYS A 640 7.559 -6.138 36.639 1.00 0.00 H ATOM 545 N MET A 641 5.235 -5.309 34.895 1.00 41.09 N ATOM 546 CA MET A 641 4.544 -4.820 33.707 1.00 40.80 C ATOM 547 C MET A 641 4.107 -5.962 32.791 1.00 47.57 C ATOM 548 O MET A 641 3.253 -5.777 31.924 1.00 42.97 O ATOM 549 CB MET A 641 5.444 -3.849 32.938 1.00 39.80 C ATOM 550 CG MET A 641 5.628 -2.503 33.624 1.00 34.53 C ATOM 551 SD MET A 641 7.058 -1.587 33.015 1.00 53.55 S ATOM 552 CE MET A 641 6.631 -1.383 31.287 1.00 40.91 C ATOM 553 H MET A 641 6.243 -5.087 35.020 1.00 0.00 H ATOM 554 N LYS A 642 4.694 -7.139 32.990 1.00 41.89 N ATOM 555 CA LYS A 642 4.369 -8.307 32.178 1.00 50.13 C ATOM 556 C LYS A 642 3.160 -9.051 32.736 1.00 48.56 C ATOM 557 O LYS A 642 2.371 -9.623 31.984 1.00 55.11 O ATOM 558 CB LYS A 642 5.571 -9.250 32.096 1.00 46.74 C ATOM 559 CG LYS A 642 5.365 -10.435 31.167 1.00 37.79 C ATOM 560 CD LYS A 642 6.669 -11.168 30.903 1.00 47.54 C ATOM 561 CE LYS A 642 6.480 -12.290 29.897 1.00 67.13 C ATOM 562 NZ LYS A 642 7.770 -12.941 29.536 1.00 65.38 N ATOM 563 HZ1 LYS A 642 8.409 -12.234 29.118 1.00 0.00 H ATOM 564 HZ2 LYS A 642 8.206 -13.341 30.391 1.00 0.00 H ATOM 565 HZ3 LYS A 642 7.593 -13.700 28.848 1.00 0.00 H ATOM 566 H LYS A 642 5.404 -7.229 33.745 1.00 0.00 H ATOM 567 N ASP A 643 3.018 -9.039 34.058 1.00 36.27 N ATOM 568 CA ASP A 643 1.927 -9.748 34.717 1.00 53.33 C ATOM 569 C ASP A 643 0.609 -8.983 34.627 1.00 54.81 C ATOM 570 O ASP A 643 -0.452 -9.528 34.934 1.00 45.83 O ATOM 571 CB ASP A 643 2.276 -10.009 36.184 1.00 53.58 C ATOM 572 CG ASP A 643 3.496 -10.896 36.343 1.00 69.17 C ATOM 573 OD1 ASP A 643 3.737 -11.743 35.457 1.00 61.16 O ATOM 574 OD2 ASP A 643 4.213 -10.746 37.354 1.00 58.43 O ATOM 575 H ASP A 643 3.702 -8.511 34.637 1.00 0.00 H ATOM 576 N PHE A 644 0.676 -7.723 34.207 1.00 40.76 N ATOM 577 CA PHE A 644 -0.524 -6.908 34.063 1.00 34.09 C ATOM 578 C PHE A 644 -1.422 -7.452 32.957 1.00 51.46 C ATOM 579 O PHE A 644 -0.941 -7.920 31.924 1.00 49.31 O ATOM 580 CB PHE A 644 -0.160 -5.450 33.766 1.00 40.43 C ATOM 581 CG PHE A 644 0.557 -4.751 34.893 1.00 55.85 C ATOM 582 CD1 PHE A 644 0.580 -5.284 36.173 1.00 74.12 C ATOM 583 CD2 PHE A 644 1.204 -3.548 34.667 1.00 33.71 C ATOM 584 CE1 PHE A 644 1.241 -4.633 37.200 1.00 56.44 C ATOM 585 CE2 PHE A 644 1.866 -2.894 35.689 1.00 51.22 C ATOM 586 CZ PHE A 644 1.883 -3.437 36.956 1.00 59.61 C ATOM 587 H PHE A 644 1.603 -7.311 33.977 1.00 0.00 H ATOM 588 N SER A 645 -2.730 -7.390 33.187 1.00 43.95 N ATOM 589 CA SER A 645 -3.713 -7.857 32.217 1.00 44.74 C ATOM 590 C SER A 645 -4.980 -7.016 32.299 1.00 42.43 C ATOM 591 O SER A 645 -5.794 -7.188 33.206 1.00 62.39 O ATOM 592 CB SER A 645 -4.041 -9.332 32.453 1.00 45.99 C ATOM 593 OG SER A 645 -5.000 -9.795 31.518 1.00 48.35 O ATOM 594 HG SER A 645 -5.194 -10.750 31.692 1.00 0.00 H ATOM 595 H SER A 645 -3.063 -6.995 34.090 1.00 0.00 H ATOM 596 N HIS A 646 -5.138 -6.105 31.344 1.00 42.97 N ATOM 597 CA HIS A 646 -6.286 -5.208 31.316 1.00 26.36 C ATOM 598 C HIS A 646 -6.509 -4.707 29.889 1.00 32.87 C ATOM 599 O HIS A 646 -5.551 -4.335 29.210 1.00 30.43 O ATOM 600 CB HIS A 646 -6.067 -4.035 32.275 1.00 38.28 C ATOM 601 CG HIS A 646 -7.318 -3.287 32.615 1.00 27.45 C ATOM 602 ND1 HIS A 646 -7.673 -2.107 31.998 1.00 34.90 N ATOM 603 CD2 HIS A 646 -8.299 -3.552 33.512 1.00 26.70 C ATOM 604 CE1 HIS A 646 -8.817 -1.678 32.496 1.00 35.47 C ATOM 605 NE2 HIS A 646 -9.219 -2.536 33.417 1.00 32.07 N ATOM 606 H HIS A 646 -4.421 -6.030 30.594 1.00 0.00 H ATOM 607 N PRO A 647 -7.771 -4.695 29.423 1.00 34.08 N ATOM 608 CA PRO A 647 -8.026 -4.295 28.033 1.00 35.63 C ATOM 609 C PRO A 647 -7.682 -2.834 27.746 1.00 34.95 C ATOM 610 O PRO A 647 -7.514 -2.467 26.583 1.00 42.74 O ATOM 611 CB PRO A 647 -9.531 -4.539 27.868 1.00 30.14 C ATOM 612 CG PRO A 647 -10.082 -4.468 29.245 1.00 20.05 C ATOM 613 CD PRO A 647 -9.018 -5.032 30.133 1.00 18.35 C ATOM 614 N ASN A 648 -7.578 -2.022 28.795 1.00 28.21 N ATOM 615 CA ASN A 648 -7.247 -0.607 28.651 1.00 27.01 C ATOM 616 C ASN A 648 -5.816 -0.299 29.087 1.00 24.31 C ATOM 617 O ASN A 648 -5.467 0.857 29.330 1.00 15.52 O ATOM 618 CB ASN A 648 -8.227 0.249 29.454 1.00 24.20 C ATOM 619 CG ASN A 648 -9.669 0.028 29.040 1.00 29.57 C ATOM 620 OD1 ASN A 648 -10.511 -0.350 29.854 1.00 46.08 O ATOM 621 ND2 ASN A 648 -9.959 0.262 27.766 1.00 32.00 N ATOM 622 HD22 ASN A 648 -9.215 0.581 27.113 1.00 0.00 H ATOM 623 HD21 ASN A 648 -10.931 0.127 27.421 1.00 0.00 H ATOM 624 H ASN A 648 -7.738 -2.407 29.748 1.00 0.00 H ATOM 625 N VAL A 649 -4.997 -1.342 29.188 1.00 31.93 N ATOM 626 CA VAL A 649 -3.585 -1.197 29.523 1.00 21.99 C ATOM 627 C VAL A 649 -2.755 -2.034 28.557 1.00 28.55 C ATOM 628 O VAL A 649 -3.068 -3.199 28.312 1.00 32.44 O ATOM 629 CB VAL A 649 -3.292 -1.635 30.970 1.00 25.62 C ATOM 630 CG1 VAL A 649 -1.826 -1.405 31.314 1.00 13.74 C ATOM 631 CG2 VAL A 649 -4.190 -0.887 31.946 1.00 25.91 C ATOM 632 H VAL A 649 -5.377 -2.296 29.022 1.00 0.00 H ATOM 633 N ILE A 650 -1.700 -1.440 28.009 1.00 27.20 N ATOM 634 CA ILE A 650 -0.869 -2.132 27.032 1.00 29.99 C ATOM 635 C ILE A 650 -0.146 -3.311 27.677 1.00 34.63 C ATOM 636 O ILE A 650 0.278 -3.241 28.832 1.00 22.32 O ATOM 637 CB ILE A 650 0.164 -1.183 26.390 1.00 27.89 C ATOM 638 CG1 ILE A 650 0.880 -1.885 25.232 1.00 30.67 C ATOM 639 CG2 ILE A 650 1.168 -0.695 27.430 1.00 32.29 C ATOM 640 CD1 ILE A 650 1.672 -0.948 24.341 1.00 29.34 C ATOM 641 H ILE A 650 -1.463 -0.465 28.282 1.00 0.00 H ATOM 642 N ARG A 651 -0.015 -4.395 26.919 1.00 33.15 N ATOM 643 CA ARG A 651 0.647 -5.602 27.395 1.00 30.06 C ATOM 644 C ARG A 651 2.148 -5.531 27.137 1.00 26.27 C ATOM 645 O ARG A 651 2.590 -4.880 26.190 1.00 39.79 O ATOM 646 CB ARG A 651 0.047 -6.836 26.713 1.00 43.58 C ATOM 647 CG ARG A 651 0.843 -8.126 26.908 1.00 62.55 C ATOM 648 CD ARG A 651 0.177 -9.319 26.235 1.00 61.35 C ATOM 649 NE ARG A 651 -0.115 -9.067 24.825 1.00 84.45 N ATOM 650 CZ ARG A 651 -0.269 -10.015 23.904 1.00 79.56 C ATOM 651 NH1 ARG A 651 -0.151 -11.297 24.227 1.00 86.02 N ATOM 652 NH2 ARG A 651 -0.535 -9.677 22.650 1.00 55.92 N ATOM 653 HE ARG A 651 -0.209 -8.077 24.520 1.00 0.00 H ATOM 654 HH12 ARG A 651 -0.273 -12.030 23.499 1.00 0.00 H ATOM 655 HH11 ARG A 651 0.064 -11.569 25.208 1.00 0.00 H ATOM 656 HH22 ARG A 651 -0.656 -10.415 21.927 1.00 0.00 H ATOM 657 HH21 ARG A 651 -0.623 -8.674 22.389 1.00 0.00 H ATOM 658 H ARG A 651 -0.399 -4.381 25.952 1.00 0.00 H ATOM 659 N LEU A 652 2.923 -6.196 27.989 1.00 34.60 N ATOM 660 CA LEU A 652 4.364 -6.317 27.797 1.00 39.82 C ATOM 661 C LEU A 652 4.715 -7.767 27.489 1.00 41.88 C ATOM 662 O LEU A 652 4.465 -8.661 28.298 1.00 45.70 O ATOM 663 CB LEU A 652 5.121 -5.829 29.034 1.00 44.11 C ATOM 664 CG LEU A 652 6.646 -5.794 28.903 1.00 44.62 C ATOM 665 CD1 LEU A 652 7.212 -4.582 29.622 1.00 42.94 C ATOM 666 CD2 LEU A 652 7.275 -7.068 29.445 1.00 40.53 C ATOM 667 H LEU A 652 2.487 -6.645 28.820 1.00 0.00 H ATOM 668 N LEU A 653 5.294 -7.993 26.315 1.00 32.28 N ATOM 669 CA LEU A 653 5.600 -9.342 25.857 1.00 28.31 C ATOM 670 C LEU A 653 6.907 -9.860 26.455 1.00 29.50 C ATOM 671 O LEU A 653 7.010 -11.034 26.811 1.00 49.45 O ATOM 672 CB LEU A 653 5.665 -9.375 24.328 1.00 24.54 C ATOM 673 CG LEU A 653 4.361 -8.999 23.618 1.00 19.85 C ATOM 674 CD1 LEU A 653 4.589 -8.822 22.126 1.00 34.21 C ATOM 675 CD2 LEU A 653 3.282 -10.043 23.871 1.00 14.32 C ATOM 676 H LEU A 653 5.535 -7.185 25.706 1.00 0.00 H ATOM 677 N GLY A 654 7.901 -8.984 26.566 1.00 42.47 N ATOM 678 CA GLY A 654 9.177 -9.361 27.148 1.00 37.37 C ATOM 679 C GLY A 654 10.295 -8.386 26.832 1.00 33.25 C ATOM 680 O GLY A 654 10.048 -7.228 26.494 1.00 28.62 O ATOM 681 H GLY A 654 7.762 -8.010 26.229 1.00 0.00 H ATOM 682 N VAL A 655 11.530 -8.867 26.952 1.00 32.36 N ATOM 683 CA VAL A 655 12.719 -8.054 26.713 1.00 33.24 C ATOM 684 C VAL A 655 13.750 -8.854 25.921 1.00 43.01 C ATOM 685 O VAL A 655 13.837 -10.074 26.063 1.00 34.73 O ATOM 686 CB VAL A 655 13.348 -7.579 28.037 1.00 40.57 C ATOM 687 CG1 VAL A 655 14.517 -6.640 27.774 1.00 51.91 C ATOM 688 CG2 VAL A 655 12.304 -6.893 28.908 1.00 43.33 C ATOM 689 H VAL A 655 11.653 -9.862 27.227 1.00 0.00 H ATOM 690 N CYS A 656 14.531 -8.161 25.095 1.00 41.96 N ATOM 691 CA CYS A 656 15.564 -8.802 24.286 1.00 46.54 C ATOM 692 C CYS A 656 16.879 -8.034 24.380 1.00 52.02 C ATOM 693 O CYS A 656 16.889 -6.802 24.393 1.00 51.39 O ATOM 694 CB CYS A 656 15.116 -8.904 22.825 1.00 42.93 C ATOM 695 SG CYS A 656 13.608 -9.872 22.572 1.00 70.13 S ATOM 696 H CYS A 656 14.401 -7.132 25.024 1.00 0.00 H ATOM 697 N ILE A 657 17.983 -8.774 24.446 1.00 64.25 N ATOM 698 CA ILE A 657 19.312 -8.184 24.566 1.00 46.76 C ATOM 699 C ILE A 657 20.110 -8.389 23.282 1.00 67.40 C ATOM 700 O ILE A 657 20.058 -9.458 22.672 1.00 74.30 O ATOM 701 CB ILE A 657 20.098 -8.792 25.746 1.00 64.13 C ATOM 702 CG1 ILE A 657 19.228 -8.852 27.007 1.00 53.19 C ATOM 703 CG2 ILE A 657 21.371 -7.996 26.007 1.00 70.20 C ATOM 704 CD1 ILE A 657 18.677 -7.510 27.453 1.00 55.83 C ATOM 705 H ILE A 657 17.895 -9.810 24.411 1.00 0.00 H ATOM 706 N GLU A 658 20.850 -7.361 22.877 1.00 74.64 N ATOM 707 CA GLU A 658 21.695 -7.443 21.692 1.00 81.58 C ATOM 708 C GLU A 658 23.003 -8.162 22.008 1.00 82.84 C ATOM 709 O GLU A 658 23.836 -7.655 22.759 1.00 68.33 O ATOM 710 CB GLU A 658 21.984 -6.044 21.142 1.00 78.68 C ATOM 711 CG GLU A 658 20.789 -5.378 20.472 1.00 75.56 C ATOM 712 CD GLU A 658 20.397 -6.038 19.162 1.00 77.87 C ATOM 713 OE1 GLU A 658 19.346 -5.663 18.601 1.00 74.61 O ATOM 714 OE2 GLU A 658 21.137 -6.927 18.690 1.00 82.74 O ATOM 715 H GLU A 658 20.825 -6.475 23.420 1.00 0.00 H TER 716 GLU A 658 ATOM 717 N PRO A 665 25.607 -3.931 25.264 1.00 85.51 N ATOM 718 CA PRO A 665 24.447 -4.714 25.699 1.00 94.23 C ATOM 719 C PRO A 665 23.246 -3.834 26.039 1.00 82.15 C ATOM 720 O PRO A 665 23.109 -3.396 27.182 1.00 77.49 O ATOM 721 CB PRO A 665 24.969 -5.443 26.940 1.00 89.32 C ATOM 722 CG PRO A 665 26.014 -4.537 27.486 1.00 76.82 C ATOM 723 CD PRO A 665 26.665 -3.897 26.290 1.00 70.35 C ATOM 724 HN2 PRO A 665 25.300 -2.957 25.065 1.00 0.00 H ATOM 725 HN1 PRO A 665 25.993 -4.356 24.397 1.00 0.00 H ATOM 726 N LYS A 666 22.394 -3.580 25.048 1.00 76.02 N ATOM 727 CA LYS A 666 21.207 -2.753 25.240 1.00 66.44 C ATOM 728 C LYS A 666 19.947 -3.610 25.352 1.00 60.48 C ATOM 729 O LYS A 666 19.792 -4.577 24.604 1.00 60.81 O ATOM 730 CB LYS A 666 21.049 -1.763 24.087 1.00 68.36 C ATOM 731 CG LYS A 666 22.064 -0.636 24.093 1.00 81.71 C ATOM 732 CD LYS A 666 21.618 0.504 23.195 1.00 85.51 C ATOM 733 CE LYS A 666 22.552 1.695 23.297 1.00 92.21 C ATOM 734 NZ LYS A 666 22.007 2.885 22.589 1.00 81.84 N ATOM 735 HZ1 LYS A 666 21.875 2.658 21.583 1.00 0.00 H ATOM 736 HZ2 LYS A 666 21.093 3.148 23.009 1.00 0.00 H ATOM 737 HZ3 LYS A 666 22.674 3.678 22.682 1.00 0.00 H ATOM 738 H LYS A 666 22.580 -3.984 24.108 1.00 0.00 H ATOM 739 N PRO A 667 19.039 -3.264 26.285 1.00 60.87 N ATOM 740 CA PRO A 667 17.757 -3.974 26.322 1.00 48.70 C ATOM 741 C PRO A 667 16.763 -3.394 25.321 1.00 56.81 C ATOM 742 O PRO A 667 16.985 -2.298 24.806 1.00 57.76 O ATOM 743 CB PRO A 667 17.268 -3.766 27.765 1.00 53.46 C ATOM 744 CG PRO A 667 18.262 -2.829 28.423 1.00 50.04 C ATOM 745 CD PRO A 667 19.115 -2.247 27.347 1.00 54.60 C ATOM 746 N MET A 668 15.684 -4.123 25.053 1.00 60.82 N ATOM 747 CA MET A 668 14.654 -3.665 24.127 1.00 51.39 C ATOM 748 C MET A 668 13.273 -4.136 24.568 1.00 34.68 C ATOM 749 O MET A 668 12.992 -5.334 24.597 1.00 43.08 O ATOM 750 CB MET A 668 14.950 -4.159 22.710 1.00 40.37 C ATOM 751 CG MET A 668 16.080 -3.410 22.017 1.00 46.37 C ATOM 752 SD MET A 668 16.302 -3.901 20.296 1.00 74.72 S ATOM 753 CE MET A 668 16.819 -5.606 20.484 1.00 44.17 C ATOM 754 H MET A 668 15.571 -5.047 25.517 1.00 0.00 H ATOM 755 N VAL A 669 12.415 -3.180 24.909 1.00 33.95 N ATOM 756 CA VAL A 669 11.066 -3.485 25.371 1.00 29.87 C ATOM 757 C VAL A 669 10.180 -3.910 24.204 1.00 23.19 C ATOM 758 O VAL A 669 9.932 -3.128 23.285 1.00 21.94 O ATOM 759 CB VAL A 669 10.424 -2.275 26.079 1.00 29.92 C ATOM 760 CG1 VAL A 669 9.070 -2.652 26.664 1.00 33.02 C ATOM 761 CG2 VAL A 669 11.342 -1.749 27.172 1.00 36.05 C ATOM 762 H VAL A 669 12.714 -2.186 24.844 1.00 0.00 H ATOM 763 N ILE A 670 9.706 -5.151 24.250 1.00 23.22 N ATOM 764 CA ILE A 670 8.833 -5.683 23.211 1.00 30.09 C ATOM 765 C ILE A 670 7.374 -5.412 23.565 1.00 19.75 C ATOM 766 O ILE A 670 6.913 -5.787 24.644 1.00 24.28 O ATOM 767 CB ILE A 670 9.039 -7.200 23.018 1.00 33.40 C ATOM 768 CG1 ILE A 670 10.532 -7.542 22.956 1.00 30.70 C ATOM 769 CG2 ILE A 670 8.325 -7.681 21.762 1.00 24.54 C ATOM 770 CD1 ILE A 670 11.298 -6.809 21.871 1.00 30.21 C ATOM 771 H ILE A 670 9.966 -5.761 25.051 1.00 0.00 H ATOM 772 N LEU A 671 6.656 -4.762 22.653 1.00 32.03 N ATOM 773 CA LEU A 671 5.254 -4.415 22.870 1.00 24.66 C ATOM 774 C LEU A 671 4.413 -4.741 21.636 1.00 23.19 C ATOM 775 O LEU A 671 4.944 -4.829 20.529 1.00 28.09 O ATOM 776 CB LEU A 671 5.119 -2.931 23.218 1.00 35.48 C ATOM 777 CG LEU A 671 5.837 -2.469 24.488 1.00 32.97 C ATOM 778 CD1 LEU A 671 5.847 -0.951 24.572 1.00 33.13 C ATOM 779 CD2 LEU A 671 5.185 -3.067 25.726 1.00 36.42 C ATOM 780 H LEU A 671 7.108 -4.492 21.756 1.00 0.00 H ATOM 781 N PRO A 672 3.093 -4.923 21.822 1.00 18.76 N ATOM 782 CA PRO A 672 2.204 -5.194 20.685 1.00 24.18 C ATOM 783 C PRO A 672 2.196 -4.067 19.655 1.00 34.50 C ATOM 784 O PRO A 672 2.508 -2.925 19.992 1.00 30.85 O ATOM 785 CB PRO A 672 0.825 -5.335 21.340 1.00 17.99 C ATOM 786 CG PRO A 672 1.101 -5.682 22.754 1.00 33.45 C ATOM 787 CD PRO A 672 2.372 -4.980 23.106 1.00 24.81 C ATOM 788 N PHE A 673 1.837 -4.394 18.416 1.00 41.79 N ATOM 789 CA PHE A 673 1.771 -3.407 17.343 1.00 22.60 C ATOM 790 C PHE A 673 0.355 -2.857 17.202 1.00 32.75 C ATOM 791 O PHE A 673 -0.623 -3.591 17.355 1.00 30.76 O ATOM 792 CB PHE A 673 2.232 -4.025 16.022 1.00 26.79 C ATOM 793 CG PHE A 673 2.265 -3.052 14.879 1.00 30.74 C ATOM 794 CD1 PHE A 673 3.377 -2.257 14.662 1.00 17.80 C ATOM 795 CD2 PHE A 673 1.185 -2.934 14.023 1.00 25.76 C ATOM 796 CE1 PHE A 673 3.410 -1.361 13.611 1.00 16.37 C ATOM 797 CE2 PHE A 673 1.212 -2.040 12.971 1.00 24.86 C ATOM 798 CZ PHE A 673 2.326 -1.253 12.765 1.00 32.83 C ATOM 799 H PHE A 673 1.596 -5.384 18.206 1.00 0.00 H ATOM 800 N MET A 674 0.257 -1.562 16.908 1.00 39.56 N ATOM 801 CA MET A 674 -1.029 -0.879 16.801 1.00 28.94 C ATOM 802 C MET A 674 -1.112 -0.117 15.477 1.00 27.28 C ATOM 803 O MET A 674 -0.619 1.006 15.361 1.00 36.58 O ATOM 804 CB MET A 674 -1.228 0.076 17.984 1.00 38.23 C ATOM 805 CG MET A 674 -0.706 -0.457 19.316 1.00 53.53 C ATOM 806 SD MET A 674 -1.515 -1.973 19.859 1.00 65.76 S ATOM 807 CE MET A 674 -2.887 -1.304 20.792 1.00 30.21 C ATOM 808 H MET A 674 1.128 -1.017 16.749 1.00 0.00 H ATOM 809 N LYS A 675 -1.737 -0.735 14.480 1.00 25.56 N ATOM 810 CA LYS A 675 -1.809 -0.156 13.141 1.00 32.30 C ATOM 811 C LYS A 675 -2.539 1.185 13.126 1.00 15.12 C ATOM 812 O LYS A 675 -2.259 2.041 12.286 1.00 32.91 O ATOM 813 CB LYS A 675 -2.493 -1.128 12.175 1.00 34.11 C ATOM 814 CG LYS A 675 -3.854 -1.626 12.634 1.00 22.61 C ATOM 815 CD LYS A 675 -4.501 -2.504 11.575 1.00 27.71 C ATOM 816 CE LYS A 675 -5.755 -3.182 12.099 1.00 29.48 C ATOM 817 NZ LYS A 675 -6.408 -4.022 11.058 1.00 33.79 N ATOM 818 HZ1 LYS A 675 -6.674 -3.425 10.249 1.00 0.00 H ATOM 819 HZ2 LYS A 675 -5.745 -4.759 10.743 1.00 0.00 H ATOM 820 HZ3 LYS A 675 -7.259 -4.466 11.457 1.00 0.00 H ATOM 821 H LYS A 675 -2.187 -1.656 14.658 1.00 0.00 H ATOM 822 N TYR A 676 -3.473 1.368 14.055 1.00 22.11 N ATOM 823 CA TYR A 676 -4.211 2.623 14.154 1.00 33.35 C ATOM 824 C TYR A 676 -3.361 3.712 14.806 1.00 26.22 C ATOM 825 O TYR A 676 -3.716 4.891 14.774 1.00 37.71 O ATOM 826 CB TYR A 676 -5.508 2.420 14.942 1.00 22.74 C ATOM 827 CG TYR A 676 -6.506 1.500 14.270 1.00 26.64 C ATOM 828 CD1 TYR A 676 -6.579 1.406 12.885 1.00 35.89 C ATOM 829 CD2 TYR A 676 -7.377 0.724 15.021 1.00 22.62 C ATOM 830 CE1 TYR A 676 -7.489 0.568 12.270 1.00 30.54 C ATOM 831 CE2 TYR A 676 -8.290 -0.119 14.415 1.00 28.17 C ATOM 832 CZ TYR A 676 -8.342 -0.193 13.040 1.00 44.88 C ATOM 833 OH TYR A 676 -9.249 -1.029 12.430 1.00 56.70 O ATOM 834 HH TYR A 676 -9.151 -0.959 11.447 1.00 0.00 H ATOM 835 H TYR A 676 -3.682 0.600 14.725 1.00 0.00 H ATOM 836 N GLY A 677 -2.241 3.312 15.400 1.00 23.15 N ATOM 837 CA GLY A 677 -1.296 4.259 15.964 1.00 15.78 C ATOM 838 C GLY A 677 -1.791 4.928 17.232 1.00 16.27 C ATOM 839 O GLY A 677 -2.747 4.470 17.859 1.00 26.48 O ATOM 840 H GLY A 677 -2.036 2.294 15.462 1.00 0.00 H ATOM 841 N ASP A 678 -1.132 6.020 17.606 1.00 32.98 N ATOM 842 CA ASP A 678 -1.471 6.750 18.823 1.00 20.48 C ATOM 843 C ASP A 678 -2.808 7.471 18.686 1.00 24.71 C ATOM 844 O ASP A 678 -3.381 7.540 17.598 1.00 33.09 O ATOM 845 CB ASP A 678 -0.367 7.753 19.166 1.00 24.07 C ATOM 846 CG ASP A 678 -0.136 8.767 18.063 1.00 27.99 C ATOM 847 OD1 ASP A 678 0.682 8.492 17.160 1.00 55.73 O ATOM 848 OD2 ASP A 678 -0.771 9.842 18.099 1.00 40.81 O ATOM 849 H ASP A 678 -0.350 6.365 17.013 1.00 0.00 H ATOM 850 N LEU A 679 -3.296 8.009 19.799 1.00 23.23 N ATOM 851 CA LEU A 679 -4.584 8.692 19.827 1.00 24.78 C ATOM 852 C LEU A 679 -4.464 10.140 19.360 1.00 31.90 C ATOM 853 O LEU A 679 -5.333 10.641 18.648 1.00 26.06 O ATOM 854 CB LEU A 679 -5.177 8.649 21.239 1.00 14.40 C ATOM 855 CG LEU A 679 -6.511 9.372 21.446 1.00 20.23 C ATOM 856 CD1 LEU A 679 -7.602 8.767 20.575 1.00 19.14 C ATOM 857 CD2 LEU A 679 -6.912 9.335 22.911 1.00 37.87 C ATOM 858 H LEU A 679 -2.742 7.941 20.677 1.00 0.00 H ATOM 859 N HIS A 680 -3.385 10.804 19.765 1.00 22.44 N ATOM 860 CA HIS A 680 -3.188 12.219 19.461 1.00 29.45 C ATOM 861 C HIS A 680 -3.201 12.488 17.960 1.00 23.13 C ATOM 862 O HIS A 680 -3.765 13.483 17.505 1.00 36.31 O ATOM 863 CB HIS A 680 -1.871 12.712 20.064 1.00 26.08 C ATOM 864 CG HIS A 680 -1.611 14.169 19.837 1.00 22.67 C ATOM 865 ND1 HIS A 680 -0.708 14.628 18.903 1.00 31.72 N ATOM 866 CD2 HIS A 680 -2.139 15.270 20.422 1.00 29.27 C ATOM 867 CE1 HIS A 680 -0.689 15.949 18.924 1.00 28.44 C ATOM 868 NE2 HIS A 680 -1.548 16.363 19.837 1.00 31.57 N ATOM 869 H HIS A 680 -2.660 10.301 20.315 1.00 0.00 H ATOM 870 N THR A 681 -2.578 11.599 17.194 1.00 27.45 N ATOM 871 CA THR A 681 -2.526 11.745 15.745 1.00 25.26 C ATOM 872 C THR A 681 -3.893 11.468 15.123 1.00 30.09 C ATOM 873 O THR A 681 -4.270 12.090 14.129 1.00 33.35 O ATOM 874 CB THR A 681 -1.483 10.799 15.122 1.00 24.48 C ATOM 875 OG1 THR A 681 -0.214 10.998 15.756 1.00 24.58 O ATOM 876 CG2 THR A 681 -1.344 11.057 13.629 1.00 29.09 C ATOM 877 HG1 THR A 681 -0.296 10.806 16.724 1.00 0.00 H ATOM 878 H THR A 681 -2.117 10.780 17.639 1.00 0.00 H ATOM 879 N TYR A 682 -4.629 10.533 15.715 1.00 20.43 N ATOM 880 CA TYR A 682 -5.950 10.165 15.219 1.00 23.25 C ATOM 881 C TYR A 682 -6.926 11.332 15.338 1.00 18.93 C ATOM 882 O TYR A 682 -7.853 11.463 14.539 1.00 27.97 O ATOM 883 CB TYR A 682 -6.485 8.952 15.984 1.00 23.07 C ATOM 884 CG TYR A 682 -7.802 8.425 15.460 1.00 25.34 C ATOM 885 CD1 TYR A 682 -7.838 7.469 14.454 1.00 43.10 C ATOM 886 CD2 TYR A 682 -9.009 8.879 15.975 1.00 20.27 C ATOM 887 CE1 TYR A 682 -9.038 6.982 13.973 1.00 40.18 C ATOM 888 CE2 TYR A 682 -10.214 8.398 15.500 1.00 35.18 C ATOM 889 CZ TYR A 682 -10.223 7.450 14.499 1.00 25.64 C ATOM 890 OH TYR A 682 -11.420 6.967 14.022 1.00 33.40 O ATOM 891 HH TYR A 682 -11.246 6.299 13.312 1.00 0.00 H ATOM 892 H TYR A 682 -4.252 10.050 16.556 1.00 0.00 H ATOM 893 N LEU A 683 -6.710 12.178 16.341 1.00 23.99 N ATOM 894 CA LEU A 683 -7.566 13.337 16.566 1.00 26.27 C ATOM 895 C LEU A 683 -7.290 14.436 15.544 1.00 19.35 C ATOM 896 O LEU A 683 -8.174 15.228 15.218 1.00 29.05 O ATOM 897 CB LEU A 683 -7.367 13.879 17.982 1.00 40.30 C ATOM 898 CG LEU A 683 -7.753 12.932 19.120 1.00 32.79 C ATOM 899 CD1 LEU A 683 -7.250 13.471 20.449 1.00 29.39 C ATOM 900 CD2 LEU A 683 -9.259 12.717 19.163 1.00 25.55 C ATOM 901 H LEU A 683 -5.909 12.009 16.982 1.00 0.00 H ATOM 902 N LEU A 684 -6.059 14.481 15.043 1.00 20.31 N ATOM 903 CA LEU A 684 -5.674 15.476 14.049 1.00 24.40 C ATOM 904 C LEU A 684 -6.166 15.076 12.661 1.00 29.84 C ATOM 905 O LEU A 684 -6.491 15.932 11.838 1.00 37.55 O ATOM 906 CB LEU A 684 -4.155 15.662 14.040 1.00 26.75 C ATOM 907 CG LEU A 684 -3.541 16.183 15.343 1.00 25.15 C ATOM 908 CD1 LEU A 684 -2.022 16.152 15.269 1.00 26.02 C ATOM 909 CD2 LEU A 684 -4.030 17.590 15.658 1.00 30.90 C ATOM 910 H LEU A 684 -5.353 13.790 15.368 1.00 0.00 H ATOM 911 N TYR A 685 -6.219 13.772 12.407 1.00 21.50 N ATOM 912 CA TYR A 685 -6.713 13.260 11.133 1.00 27.68 C ATOM 913 C TYR A 685 -8.233 13.377 11.042 1.00 24.92 C ATOM 914 O TYR A 685 -8.793 13.441 9.947 1.00 29.04 O ATOM 915 CB TYR A 685 -6.296 11.798 10.937 1.00 28.87 C ATOM 916 CG TYR A 685 -4.810 11.571 10.742 1.00 29.57 C ATOM 917 CD1 TYR A 685 -3.949 12.625 10.458 1.00 33.99 C ATOM 918 CD2 TYR A 685 -4.271 10.294 10.830 1.00 43.03 C ATOM 919 CE1 TYR A 685 -2.594 12.412 10.276 1.00 46.11 C ATOM 920 CE2 TYR A 685 -2.919 10.073 10.649 1.00 38.22 C ATOM 921 CZ TYR A 685 -2.086 11.134 10.372 1.00 43.23 C ATOM 922 OH TYR A 685 -0.739 10.917 10.192 1.00 51.73 O ATOM 923 HH TYR A 685 -0.290 11.779 10.002 1.00 0.00 H ATOM 924 H TYR A 685 -5.900 13.100 13.134 1.00 0.00 H ATOM 925 N SER A 686 -8.898 13.399 12.193 1.00 20.57 N ATOM 926 CA SER A 686 -10.355 13.477 12.232 1.00 32.49 C ATOM 927 C SER A 686 -10.850 14.814 11.689 1.00 34.77 C ATOM 928 O SER A 686 -11.945 14.901 11.131 1.00 53.69 O ATOM 929 CB SER A 686 -10.864 13.274 13.659 1.00 38.68 C ATOM 930 OG SER A 686 -10.451 14.334 14.503 1.00 27.21 O ATOM 931 HG SER A 686 -9.462 14.373 14.521 1.00 0.00 H ATOM 932 H SER A 686 -8.368 13.360 13.087 1.00 0.00 H ATOM 933 N ARG A 687 -10.035 15.852 11.854 1.00 33.96 N ATOM 934 CA ARG A 687 -10.378 17.189 11.379 1.00 46.00 C ATOM 935 C ARG A 687 -9.981 17.379 9.916 1.00 25.75 C ATOM 936 O ARG A 687 -10.028 18.492 9.390 1.00 31.03 O ATOM 937 CB ARG A 687 -9.701 18.247 12.250 1.00 32.72 C ATOM 938 CG ARG A 687 -10.120 18.197 13.710 1.00 31.38 C ATOM 939 CD ARG A 687 -9.106 18.889 14.601 1.00 30.82 C ATOM 940 NE ARG A 687 -8.992 20.315 14.308 1.00 54.02 N ATOM 941 CZ ARG A 687 -8.053 21.109 14.813 1.00 57.25 C ATOM 942 NH1 ARG A 687 -8.029 22.395 14.492 1.00 44.11 N ATOM 943 NH2 ARG A 687 -7.133 20.619 15.634 1.00 43.52 N ATOM 944 HE ARG A 687 -9.690 20.737 13.663 1.00 0.00 H ATOM 945 HH12 ARG A 687 -7.294 23.016 14.887 1.00 0.00 H ATOM 946 HH11 ARG A 687 -8.745 22.783 13.845 1.00 0.00 H ATOM 947 HH22 ARG A 687 -6.400 21.244 16.027 1.00 0.00 H ATOM 948 HH21 ARG A 687 -7.144 19.610 15.885 1.00 0.00 H ATOM 949 H ARG A 687 -9.125 15.707 12.336 1.00 0.00 H ATOM 950 N LEU A 688 -9.592 16.283 9.270 1.00 34.59 N ATOM 951 CA LEU A 688 -9.226 16.289 7.859 1.00 41.85 C ATOM 952 C LEU A 688 -10.045 15.238 7.119 1.00 42.68 C ATOM 953 O LEU A 688 -10.367 14.190 7.679 1.00 50.48 O ATOM 954 CB LEU A 688 -7.730 16.014 7.686 1.00 32.21 C ATOM 955 CG LEU A 688 -6.777 16.893 8.501 1.00 52.63 C ATOM 956 CD1 LEU A 688 -5.355 16.358 8.418 1.00 42.29 C ATOM 957 CD2 LEU A 688 -6.832 18.337 8.030 1.00 35.90 C ATOM 958 H LEU A 688 -9.547 15.385 9.793 1.00 0.00 H ATOM 959 N GLU A 689 -10.385 15.516 5.864 1.00 50.58 N ATOM 960 CA GLU A 689 -11.120 14.554 5.049 1.00 55.43 C ATOM 961 C GLU A 689 -10.241 13.345 4.737 1.00 62.28 C ATOM 962 O GLU A 689 -9.082 13.291 5.149 1.00 78.16 O ATOM 963 CB GLU A 689 -11.617 15.205 3.756 1.00 60.51 C ATOM 964 CG GLU A 689 -12.737 16.215 3.967 1.00 52.51 C ATOM 965 CD GLU A 689 -13.317 16.729 2.664 1.00 77.78 C ATOM 966 OE1 GLU A 689 -12.780 16.382 1.592 1.00 84.14 O ATOM 967 OE2 GLU A 689 -14.315 17.479 2.713 1.00 91.92 O ATOM 968 H GLU A 689 -10.122 16.436 5.456 1.00 0.00 H ATOM 969 N THR A 690 -10.800 12.379 4.010 1.00 70.78 N ATOM 970 CA THR A 690 -10.134 11.103 3.730 1.00 88.05 C ATOM 971 C THR A 690 -9.961 10.281 5.007 1.00 84.55 C ATOM 972 O THR A 690 -10.371 9.122 5.065 1.00 98.53 O ATOM 973 CB THR A 690 -8.747 11.296 3.072 1.00 75.27 C ATOM 974 OG1 THR A 690 -7.772 11.633 4.069 1.00 55.60 O ATOM 975 CG2 THR A 690 -8.794 12.384 2.004 1.00 72.92 C ATOM 976 HG1 THR A 690 -8.039 12.473 4.519 1.00 0.00 H ATOM 977 H THR A 690 -11.752 12.537 3.623 1.00 0.00 H ATOM 978 N GLY A 691 -9.347 10.880 6.023 1.00 69.61 N ATOM 979 CA GLY A 691 -9.184 10.238 7.316 1.00 69.97 C ATOM 980 C GLY A 691 -10.499 10.077 8.059 1.00 58.89 C ATOM 981 O GLY A 691 -11.569 10.191 7.462 1.00 69.49 O ATOM 982 H GLY A 691 -8.971 11.840 5.888 1.00 0.00 H ATOM 983 N PRO A 692 -10.426 9.808 9.374 1.00 49.81 N ATOM 984 CA PRO A 692 -11.613 9.593 10.213 1.00 47.63 C ATOM 985 C PRO A 692 -12.631 10.731 10.148 1.00 56.76 C ATOM 986 O PRO A 692 -12.284 11.862 9.808 1.00 64.17 O ATOM 987 CB PRO A 692 -11.026 9.479 11.623 1.00 49.83 C ATOM 988 CG PRO A 692 -9.640 8.998 11.416 1.00 44.63 C ATOM 989 CD PRO A 692 -9.179 9.633 10.139 1.00 49.17 C ATOM 990 N LYS A 693 -13.880 10.415 10.476 1.00 47.68 N ATOM 991 CA LYS A 693 -14.962 11.394 10.474 1.00 52.76 C ATOM 992 C LYS A 693 -14.907 12.245 11.741 1.00 50.93 C ATOM 993 O LYS A 693 -14.225 11.890 12.703 1.00 42.10 O ATOM 994 CB LYS A 693 -16.314 10.679 10.357 1.00 63.54 C ATOM 995 CG LYS A 693 -17.538 11.584 10.258 1.00 79.31 C ATOM 996 CD LYS A 693 -17.466 12.518 9.059 1.00 68.26 C ATOM 997 CE LYS A 693 -18.739 13.338 8.918 1.00 77.25 C ATOM 998 NZ LYS A 693 -19.013 14.169 10.123 1.00 65.82 N ATOM 999 HZ1 LYS A 693 -19.118 13.551 10.953 1.00 0.00 H ATOM 1000 HZ2 LYS A 693 -18.222 14.826 10.277 1.00 0.00 H ATOM 1001 HZ3 LYS A 693 -19.890 14.709 9.978 1.00 0.00 H ATOM 1002 H LYS A 693 -14.094 9.433 10.744 1.00 0.00 H ATOM 1003 N HIS A 694 -15.613 13.374 11.727 1.00 53.75 N ATOM 1004 CA HIS A 694 -15.722 14.238 12.899 1.00 34.98 C ATOM 1005 C HIS A 694 -16.172 13.444 14.120 1.00 43.12 C ATOM 1006 O HIS A 694 -17.326 13.027 14.215 1.00 59.86 O ATOM 1007 CB HIS A 694 -16.698 15.384 12.629 1.00 37.08 C ATOM 1008 CG HIS A 694 -17.000 16.217 13.835 1.00 34.05 C ATOM 1009 ND1 HIS A 694 -18.017 15.913 14.714 1.00 37.98 N ATOM 1010 CD2 HIS A 694 -16.421 17.347 14.306 1.00 47.27 C ATOM 1011 CE1 HIS A 694 -18.050 16.818 15.676 1.00 50.54 C ATOM 1012 NE2 HIS A 694 -17.092 17.700 15.451 1.00 56.42 N ATOM 1013 H HIS A 694 -16.103 13.650 10.852 1.00 0.00 H ATOM 1014 N ILE A 695 -15.247 13.238 15.052 1.00 51.60 N ATOM 1015 CA ILE A 695 -15.508 12.422 16.231 1.00 33.22 C ATOM 1016 C ILE A 695 -16.536 13.106 17.138 1.00 33.92 C ATOM 1017 O ILE A 695 -16.300 14.219 17.609 1.00 30.87 O ATOM 1018 CB ILE A 695 -14.213 12.159 17.030 1.00 25.69 C ATOM 1019 CG1 ILE A 695 -13.145 11.539 16.125 1.00 27.07 C ATOM 1020 CG2 ILE A 695 -14.492 11.238 18.213 1.00 30.39 C ATOM 1021 CD1 ILE A 695 -11.781 11.423 16.767 1.00 43.28 C ATOM 1022 H ILE A 695 -14.309 13.672 14.936 1.00 0.00 H ATOM 1023 N PRO A 696 -17.682 12.445 17.388 1.00 35.01 N ATOM 1024 CA PRO A 696 -18.690 13.056 18.264 1.00 36.87 C ATOM 1025 C PRO A 696 -18.266 13.049 19.731 1.00 35.38 C ATOM 1026 O PRO A 696 -17.311 12.361 20.087 1.00 43.64 O ATOM 1027 CB PRO A 696 -19.924 12.177 18.045 1.00 37.58 C ATOM 1028 CG PRO A 696 -19.373 10.851 17.673 1.00 40.56 C ATOM 1029 CD PRO A 696 -18.121 11.128 16.887 1.00 28.18 C ATOM 1030 N LEU A 697 -18.976 13.803 20.564 1.00 29.76 N ATOM 1031 CA LEU A 697 -18.633 13.924 21.978 1.00 37.29 C ATOM 1032 C LEU A 697 -18.702 12.578 22.693 1.00 38.59 C ATOM 1033 O LEU A 697 -17.932 12.319 23.617 1.00 39.60 O ATOM 1034 CB LEU A 697 -19.564 14.925 22.666 1.00 33.05 C ATOM 1035 CG LEU A 697 -19.291 15.202 24.148 1.00 31.90 C ATOM 1036 CD1 LEU A 697 -17.936 15.871 24.335 1.00 41.88 C ATOM 1037 CD2 LEU A 697 -20.399 16.055 24.745 1.00 26.84 C ATOM 1038 H LEU A 697 -19.800 14.322 20.198 1.00 0.00 H ATOM 1039 N GLN A 698 -19.624 11.724 22.260 1.00 30.61 N ATOM 1040 CA GLN A 698 -19.821 10.424 22.894 1.00 34.03 C ATOM 1041 C GLN A 698 -18.584 9.545 22.743 1.00 32.60 C ATOM 1042 O GLN A 698 -18.200 8.832 23.670 1.00 31.54 O ATOM 1043 CB GLN A 698 -21.040 9.711 22.300 1.00 32.40 C ATOM 1044 CG GLN A 698 -22.380 10.340 22.661 1.00 46.97 C ATOM 1045 CD GLN A 698 -22.655 11.632 21.913 1.00 53.01 C ATOM 1046 OE1 GLN A 698 -21.830 12.099 21.128 1.00 54.64 O ATOM 1047 NE2 GLN A 698 -23.823 12.216 22.155 1.00 41.13 N ATOM 1048 HE22 GLN A 698 -24.490 11.786 22.827 1.00 0.00 H ATOM 1049 HE21 GLN A 698 -24.070 13.104 21.673 1.00 0.00 H ATOM 1050 H GLN A 698 -20.220 11.989 21.450 1.00 0.00 H ATOM 1051 N THR A 699 -17.966 9.602 21.568 1.00 39.14 N ATOM 1052 CA THR A 699 -16.782 8.801 21.285 1.00 27.70 C ATOM 1053 C THR A 699 -15.557 9.367 21.999 1.00 30.52 C ATOM 1054 O THR A 699 -14.675 8.619 22.422 1.00 28.55 O ATOM 1055 CB THR A 699 -16.504 8.734 19.773 1.00 23.50 C ATOM 1056 OG1 THR A 699 -17.678 8.279 19.089 1.00 36.79 O ATOM 1057 CG2 THR A 699 -15.350 7.789 19.475 1.00 20.64 C ATOM 1058 HG1 THR A 699 -17.497 8.237 18.117 1.00 0.00 H ATOM 1059 H THR A 699 -18.337 10.235 20.831 1.00 0.00 H ATOM 1060 N LEU A 700 -15.508 10.690 22.128 1.00 31.06 N ATOM 1061 CA LEU A 700 -14.394 11.356 22.794 1.00 34.58 C ATOM 1062 C LEU A 700 -14.346 11.005 24.278 1.00 21.52 C ATOM 1063 O LEU A 700 -13.268 10.883 24.860 1.00 18.79 O ATOM 1064 CB LEU A 700 -14.496 12.874 22.622 1.00 23.05 C ATOM 1065 CG LEU A 700 -14.333 13.418 21.201 1.00 34.05 C ATOM 1066 CD1 LEU A 700 -14.653 14.905 21.161 1.00 32.73 C ATOM 1067 CD2 LEU A 700 -12.930 13.162 20.671 1.00 24.23 C ATOM 1068 H LEU A 700 -16.285 11.265 21.744 1.00 0.00 H ATOM 1069 N LEU A 701 -15.517 10.845 24.885 1.00 22.43 N ATOM 1070 CA LEU A 701 -15.602 10.519 26.304 1.00 23.31 C ATOM 1071 C LEU A 701 -15.210 9.068 26.561 1.00 26.13 C ATOM 1072 O LEU A 701 -14.629 8.753 27.599 1.00 34.43 O ATOM 1073 CB LEU A 701 -17.015 10.780 26.831 1.00 21.90 C ATOM 1074 CG LEU A 701 -17.454 12.245 26.891 1.00 31.20 C ATOM 1075 CD1 LEU A 701 -18.932 12.340 27.238 1.00 46.65 C ATOM 1076 CD2 LEU A 701 -16.620 13.029 27.893 1.00 24.82 C ATOM 1077 H LEU A 701 -16.393 10.955 24.336 1.00 0.00 H ATOM 1078 N LYS A 702 -15.529 8.189 25.615 1.00 21.31 N ATOM 1079 CA LYS A 702 -15.197 6.774 25.746 1.00 36.17 C ATOM 1080 C LYS A 702 -13.688 6.587 25.849 1.00 34.15 C ATOM 1081 O LYS A 702 -13.211 5.669 26.514 1.00 28.73 O ATOM 1082 CB LYS A 702 -15.748 5.976 24.561 1.00 27.95 C ATOM 1083 CG LYS A 702 -15.516 4.470 24.648 1.00 31.16 C ATOM 1084 CD LYS A 702 -16.234 3.854 25.841 1.00 38.52 C ATOM 1085 CE LYS A 702 -16.041 2.346 25.894 1.00 42.66 C ATOM 1086 NZ LYS A 702 -14.614 1.969 26.091 1.00 45.13 N ATOM 1087 HZ1 LYS A 702 -14.046 2.341 25.303 1.00 0.00 H ATOM 1088 HZ2 LYS A 702 -14.271 2.371 26.987 1.00 0.00 H ATOM 1089 HZ3 LYS A 702 -14.531 0.933 26.121 1.00 0.00 H ATOM 1090 H LYS A 702 -16.026 8.518 24.763 1.00 0.00 H ATOM 1091 N PHE A 703 -12.941 7.464 25.184 1.00 19.67 N ATOM 1092 CA PHE A 703 -11.487 7.442 25.266 1.00 26.47 C ATOM 1093 C PHE A 703 -11.037 7.742 26.692 1.00 18.55 C ATOM 1094 O PHE A 703 -10.111 7.116 27.206 1.00 28.82 O ATOM 1095 CB PHE A 703 -10.873 8.458 24.298 1.00 32.98 C ATOM 1096 CG PHE A 703 -11.201 8.204 22.851 1.00 27.41 C ATOM 1097 CD1 PHE A 703 -11.597 6.948 22.416 1.00 37.65 C ATOM 1098 CD2 PHE A 703 -11.108 9.227 21.924 1.00 27.79 C ATOM 1099 CE1 PHE A 703 -11.894 6.722 21.085 1.00 20.75 C ATOM 1100 CE2 PHE A 703 -11.405 9.007 20.593 1.00 23.43 C ATOM 1101 CZ PHE A 703 -11.798 7.753 20.173 1.00 16.56 C ATOM 1102 H PHE A 703 -13.406 8.182 24.592 1.00 0.00 H ATOM 1103 N MET A 704 -11.705 8.700 27.328 1.00 26.56 N ATOM 1104 CA MET A 704 -11.358 9.105 28.685 1.00 25.80 C ATOM 1105 C MET A 704 -11.654 7.992 29.685 1.00 18.50 C ATOM 1106 O MET A 704 -10.899 7.784 30.634 1.00 46.21 O ATOM 1107 CB MET A 704 -12.118 10.374 29.075 1.00 29.37 C ATOM 1108 CG MET A 704 -11.937 11.531 28.104 1.00 20.92 C ATOM 1109 SD MET A 704 -12.861 13.000 28.596 1.00 31.47 S ATOM 1110 CE MET A 704 -12.480 14.113 27.246 1.00 19.86 C ATOM 1111 H MET A 704 -12.495 9.173 26.845 1.00 0.00 H ATOM 1112 N VAL A 705 -12.756 7.280 29.468 1.00 28.74 N ATOM 1113 CA VAL A 705 -13.133 6.169 30.334 1.00 29.01 C ATOM 1114 C VAL A 705 -12.095 5.052 30.253 1.00 23.62 C ATOM 1115 O VAL A 705 -11.727 4.460 31.267 1.00 37.22 O ATOM 1116 CB VAL A 705 -14.519 5.606 29.959 1.00 28.28 C ATOM 1117 CG1 VAL A 705 -14.852 4.383 30.804 1.00 40.63 C ATOM 1118 CG2 VAL A 705 -15.591 6.673 30.128 1.00 32.51 C ATOM 1119 H VAL A 705 -13.365 7.522 28.660 1.00 0.00 H ATOM 1120 N ASP A 706 -11.634 4.768 29.039 1.00 23.57 N ATOM 1121 CA ASP A 706 -10.623 3.740 28.820 1.00 34.77 C ATOM 1122 C ASP A 706 -9.315 4.109 29.511 1.00 28.76 C ATOM 1123 O ASP A 706 -8.756 3.313 30.265 1.00 36.92 O ATOM 1124 CB ASP A 706 -10.384 3.532 27.323 1.00 28.73 C ATOM 1125 CG ASP A 706 -11.620 3.038 26.595 1.00 45.33 C ATOM 1126 OD1 ASP A 706 -12.442 2.334 27.219 1.00 50.04 O ATOM 1127 OD2 ASP A 706 -11.768 3.353 25.396 1.00 47.96 O ATOM 1128 H ASP A 706 -12.005 5.294 28.222 1.00 0.00 H ATOM 1129 N ILE A 707 -8.831 5.319 29.249 1.00 19.72 N ATOM 1130 CA ILE A 707 -7.606 5.809 29.871 1.00 27.23 C ATOM 1131 C ILE A 707 -7.746 5.816 31.391 1.00 32.55 C ATOM 1132 O ILE A 707 -6.823 5.433 32.108 1.00 27.94 O ATOM 1133 CB ILE A 707 -7.252 7.228 29.381 1.00 22.73 C ATOM 1134 CG1 ILE A 707 -7.011 7.225 27.870 1.00 15.16 C ATOM 1135 CG2 ILE A 707 -6.006 7.749 30.094 1.00 16.61 C ATOM 1136 CD1 ILE A 707 -7.042 8.604 27.239 1.00 30.15 C ATOM 1137 H ILE A 707 -9.340 5.933 28.582 1.00 0.00 H ATOM 1138 N ALA A 708 -8.904 6.257 31.873 1.00 17.80 N ATOM 1139 CA ALA A 708 -9.182 6.279 33.304 1.00 21.51 C ATOM 1140 C ALA A 708 -9.180 4.865 33.876 1.00 33.36 C ATOM 1141 O ALA A 708 -8.654 4.627 34.963 1.00 34.14 O ATOM 1142 CB ALA A 708 -10.515 6.959 33.575 1.00 30.31 C ATOM 1143 H ALA A 708 -9.631 6.595 31.211 1.00 0.00 H ATOM 1144 N LEU A 709 -9.774 3.933 33.138 1.00 32.34 N ATOM 1145 CA LEU A 709 -9.798 2.532 33.544 1.00 34.34 C ATOM 1146 C LEU A 709 -8.390 1.948 33.562 1.00 27.21 C ATOM 1147 O LEU A 709 -8.065 1.111 34.405 1.00 42.00 O ATOM 1148 CB LEU A 709 -10.692 1.717 32.607 1.00 26.11 C ATOM 1149 CG LEU A 709 -12.197 1.797 32.870 1.00 28.99 C ATOM 1150 CD1 LEU A 709 -12.975 1.265 31.677 1.00 24.91 C ATOM 1151 CD2 LEU A 709 -12.561 1.025 34.129 1.00 39.52 C ATOM 1152 H LEU A 709 -10.234 4.210 32.247 1.00 0.00 H ATOM 1153 N GLY A 710 -7.557 2.393 32.627 1.00 24.15 N ATOM 1154 CA GLY A 710 -6.184 1.932 32.548 1.00 33.24 C ATOM 1155 C GLY A 710 -5.359 2.418 33.723 1.00 29.68 C ATOM 1156 O GLY A 710 -4.585 1.660 34.306 1.00 16.83 O ATOM 1157 H GLY A 710 -7.898 3.090 31.934 1.00 0.00 H ATOM 1158 N MET A 711 -5.528 3.689 34.071 1.00 21.27 N ATOM 1159 CA MET A 711 -4.810 4.278 35.195 1.00 23.34 C ATOM 1160 C MET A 711 -5.383 3.784 36.519 1.00 16.05 C ATOM 1161 O MET A 711 -4.671 3.700 37.520 1.00 26.43 O ATOM 1162 CB MET A 711 -4.874 5.805 35.128 1.00 22.07 C ATOM 1163 CG MET A 711 -4.193 6.403 33.903 1.00 20.60 C ATOM 1164 SD MET A 711 -2.438 6.003 33.787 1.00 34.16 S ATOM 1165 CE MET A 711 -1.801 6.828 35.243 1.00 28.91 C ATOM 1166 H MET A 711 -6.190 4.279 33.527 1.00 0.00 H ATOM 1167 N GLU A 712 -6.672 3.460 36.519 1.00 17.19 N ATOM 1168 CA GLU A 712 -7.322 2.914 37.705 1.00 28.03 C ATOM 1169 C GLU A 712 -6.741 1.544 38.037 1.00 31.35 C ATOM 1170 O GLU A 712 -6.647 1.163 39.203 1.00 35.52 O ATOM 1171 CB GLU A 712 -8.834 2.814 37.493 1.00 26.50 C ATOM 1172 CG GLU A 712 -9.603 2.303 38.701 1.00 33.78 C ATOM 1173 CD GLU A 712 -11.098 2.245 38.454 1.00 38.07 C ATOM 1174 OE1 GLU A 712 -11.518 2.440 37.294 1.00 42.85 O ATOM 1175 OE2 GLU A 712 -11.854 2.008 39.420 1.00 39.83 O ATOM 1176 H GLU A 712 -7.230 3.599 35.653 1.00 0.00 H ATOM 1177 N TYR A 713 -6.353 0.810 36.999 1.00 31.19 N ATOM 1178 CA TYR A 713 -5.750 -0.506 37.167 1.00 24.76 C ATOM 1179 C TYR A 713 -4.337 -0.386 37.730 1.00 29.14 C ATOM 1180 O TYR A 713 -3.896 -1.227 38.513 1.00 33.72 O ATOM 1181 CB TYR A 713 -5.727 -1.250 35.830 1.00 25.25 C ATOM 1182 CG TYR A 713 -5.081 -2.615 35.890 1.00 38.82 C ATOM 1183 CD1 TYR A 713 -5.827 -3.745 36.198 1.00 27.45 C ATOM 1184 CD2 TYR A 713 -3.726 -2.776 35.630 1.00 32.61 C ATOM 1185 CE1 TYR A 713 -5.241 -4.995 36.250 1.00 31.59 C ATOM 1186 CE2 TYR A 713 -3.132 -4.021 35.681 1.00 45.65 C ATOM 1187 CZ TYR A 713 -3.893 -5.127 35.990 1.00 43.91 C ATOM 1188 OH TYR A 713 -3.305 -6.369 36.042 1.00 46.06 O ATOM 1189 HH TYR A 713 -3.988 -7.047 36.276 1.00 0.00 H ATOM 1190 H TYR A 713 -6.484 1.186 36.038 1.00 0.00 H ATOM 1191 N LEU A 714 -3.635 0.668 37.325 1.00 28.21 N ATOM 1192 CA LEU A 714 -2.264 0.899 37.768 1.00 28.73 C ATOM 1193 C LEU A 714 -2.226 1.526 39.159 1.00 23.44 C ATOM 1194 O LEU A 714 -1.292 1.294 39.927 1.00 32.85 O ATOM 1195 CB LEU A 714 -1.530 1.797 36.770 1.00 27.10 C ATOM 1196 CG LEU A 714 -1.344 1.229 35.360 1.00 32.34 C ATOM 1197 CD1 LEU A 714 -0.788 2.295 34.429 1.00 28.19 C ATOM 1198 CD2 LEU A 714 -0.433 0.010 35.378 1.00 33.89 C ATOM 1199 H LEU A 714 -4.076 1.348 36.673 1.00 0.00 H ATOM 1200 N SER A 715 -3.242 2.321 39.476 1.00 27.96 N ATOM 1201 CA SER A 715 -3.309 3.001 40.765 1.00 37.07 C ATOM 1202 C SER A 715 -3.502 2.007 41.907 1.00 39.76 C ATOM 1203 O SER A 715 -2.951 2.183 42.993 1.00 43.08 O ATOM 1204 CB SER A 715 -4.444 4.027 40.770 1.00 25.60 C ATOM 1205 OG SER A 715 -4.519 4.696 42.017 1.00 51.13 O ATOM 1206 HG SER A 715 -4.685 4.035 42.735 1.00 0.00 H ATOM 1207 H SER A 715 -4.009 2.462 38.788 1.00 0.00 H ATOM 1208 N ASN A 716 -4.288 0.965 41.655 1.00 40.69 N ATOM 1209 CA ASN A 716 -4.543 -0.062 42.658 1.00 46.50 C ATOM 1210 C ASN A 716 -3.272 -0.825 43.016 1.00 33.49 C ATOM 1211 O ASN A 716 -3.110 -1.284 44.147 1.00 57.17 O ATOM 1212 CB ASN A 716 -5.614 -1.035 42.161 1.00 38.37 C ATOM 1213 CG ASN A 716 -6.946 -0.355 41.902 1.00 48.98 C ATOM 1214 OD1 ASN A 716 -7.284 0.639 42.544 1.00 60.84 O ATOM 1215 ND2 ASN A 716 -7.710 -0.892 40.959 1.00 49.55 N ATOM 1216 HD22 ASN A 716 -7.383 -1.733 40.441 1.00 0.00 H ATOM 1217 HD21 ASN A 716 -8.635 -0.472 40.738 1.00 0.00 H ATOM 1218 H ASN A 716 -4.732 0.880 40.719 1.00 0.00 H ATOM 1219 N ARG A 717 -2.376 -0.953 42.042 1.00 31.93 N ATOM 1220 CA ARG A 717 -1.105 -1.645 42.237 1.00 31.07 C ATOM 1221 C ARG A 717 0.030 -0.657 42.499 1.00 34.76 C ATOM 1222 O ARG A 717 1.203 -1.031 42.492 1.00 34.78 O ATOM 1223 CB ARG A 717 -0.785 -2.512 41.018 1.00 30.31 C ATOM 1224 CG ARG A 717 -1.724 -3.695 40.854 1.00 49.79 C ATOM 1225 CD ARG A 717 -1.595 -4.334 39.484 1.00 46.72 C ATOM 1226 NE ARG A 717 -2.399 -5.548 39.373 1.00 54.74 N ATOM 1227 CZ ARG A 717 -3.722 -5.563 39.240 1.00 57.18 C ATOM 1228 NH1 ARG A 717 -4.407 -4.427 39.207 1.00 46.82 N ATOM 1229 NH2 ARG A 717 -4.365 -6.718 39.145 1.00 54.16 N ATOM 1230 HE ARG A 717 -1.904 -6.462 39.400 1.00 0.00 H ATOM 1231 HH12 ARG A 717 -5.442 -4.446 39.103 1.00 0.00 H ATOM 1232 HH11 ARG A 717 -3.909 -3.517 39.285 1.00 0.00 H ATOM 1233 HH22 ARG A 717 -5.400 -6.730 39.041 1.00 0.00 H ATOM 1234 HH21 ARG A 717 -3.835 -7.612 39.174 1.00 0.00 H ATOM 1235 H ARG A 717 -2.588 -0.546 41.109 1.00 0.00 H ATOM 1236 N ASN A 718 -0.330 0.603 42.731 1.00 33.33 N ATOM 1237 CA ASN A 718 0.641 1.652 43.038 1.00 36.83 C ATOM 1238 C ASN A 718 1.716 1.791 41.963 1.00 42.21 C ATOM 1239 O ASN A 718 2.901 1.926 42.274 1.00 39.27 O ATOM 1240 CB ASN A 718 1.298 1.383 44.395 1.00 44.27 C ATOM 1241 CG ASN A 718 0.290 1.301 45.525 1.00 51.81 C ATOM 1242 OD1 ASN A 718 -0.055 2.311 46.139 1.00 59.31 O ATOM 1243 ND2 ASN A 718 -0.188 0.094 45.807 1.00 58.25 N ATOM 1244 HD22 ASN A 718 0.132 -0.732 45.262 1.00 0.00 H ATOM 1245 HD21 ASN A 718 -0.882 -0.025 46.573 1.00 0.00 H ATOM 1246 H ASN A 718 -1.339 0.851 42.692 1.00 0.00 H ATOM 1247 N PHE A 719 1.294 1.758 40.702 1.00 35.24 N ATOM 1248 CA PHE A 719 2.208 1.904 39.574 1.00 37.03 C ATOM 1249 C PHE A 719 2.043 3.277 38.927 1.00 38.42 C ATOM 1250 O PHE A 719 0.943 3.651 38.520 1.00 37.04 O ATOM 1251 CB PHE A 719 1.968 0.802 38.540 1.00 38.38 C ATOM 1252 CG PHE A 719 3.039 0.714 37.490 1.00 49.38 C ATOM 1253 CD1 PHE A 719 4.129 -0.122 37.665 1.00 43.64 C ATOM 1254 CD2 PHE A 719 2.957 1.468 36.331 1.00 52.78 C ATOM 1255 CE1 PHE A 719 5.116 -0.206 36.703 1.00 53.60 C ATOM 1256 CE2 PHE A 719 3.942 1.388 35.366 1.00 40.57 C ATOM 1257 CZ PHE A 719 5.024 0.550 35.552 1.00 46.88 C ATOM 1258 H PHE A 719 0.280 1.624 40.514 1.00 0.00 H ATOM 1259 N LEU A 720 3.144 4.018 38.834 1.00 40.97 N ATOM 1260 CA LEU A 720 3.124 5.369 38.282 1.00 37.40 C ATOM 1261 C LEU A 720 3.503 5.368 36.803 1.00 41.73 C ATOM 1262 O LEU A 720 4.341 4.579 36.367 1.00 59.75 O ATOM 1263 CB LEU A 720 4.076 6.277 39.065 1.00 55.75 C ATOM 1264 CG LEU A 720 3.885 6.301 40.584 1.00 50.62 C ATOM 1265 CD1 LEU A 720 4.858 7.276 41.227 1.00 45.98 C ATOM 1266 CD2 LEU A 720 2.451 6.654 40.956 1.00 46.10 C ATOM 1267 H LEU A 720 4.047 3.622 39.165 1.00 0.00 H ATOM 1268 N HIS A 721 2.879 6.262 36.040 1.00 33.97 N ATOM 1269 CA HIS A 721 3.141 6.379 34.609 1.00 37.04 C ATOM 1270 C HIS A 721 4.258 7.385 34.350 1.00 41.17 C ATOM 1271 O HIS A 721 5.189 7.112 33.592 1.00 46.35 O ATOM 1272 CB HIS A 721 1.870 6.798 33.867 1.00 36.74 C ATOM 1273 CG HIS A 721 1.943 6.601 32.386 1.00 33.62 C ATOM 1274 ND1 HIS A 721 2.884 7.225 31.595 1.00 26.78 N ATOM 1275 CD2 HIS A 721 1.190 5.848 31.549 1.00 31.47 C ATOM 1276 CE1 HIS A 721 2.708 6.865 30.338 1.00 39.52 C ATOM 1277 NE2 HIS A 721 1.686 6.030 30.282 1.00 37.97 N ATOM 1278 H HIS A 721 2.182 6.898 36.478 1.00 0.00 H ATOM 1279 N ARG A 722 4.145 8.551 34.981 1.00 37.86 N ATOM 1280 CA ARG A 722 5.171 9.591 34.916 1.00 32.91 C ATOM 1281 C ARG A 722 5.364 10.147 33.506 1.00 33.23 C ATOM 1282 O ARG A 722 6.350 10.833 33.237 1.00 51.06 O ATOM 1283 CB ARG A 722 6.507 9.054 35.439 1.00 43.09 C ATOM 1284 CG ARG A 722 6.408 8.298 36.755 1.00 55.85 C ATOM 1285 CD ARG A 722 7.766 7.769 37.186 1.00 70.44 C ATOM 1286 NE ARG A 722 8.650 8.836 37.655 1.00 82.59 N ATOM 1287 CZ ARG A 722 8.740 9.248 38.918 1.00 89.20 C ATOM 1288 NH1 ARG A 722 7.999 8.693 39.870 1.00 87.20 N ATOM 1289 NH2 ARG A 722 9.580 10.225 39.232 1.00 93.67 N ATOM 1290 HE ARG A 722 9.252 9.307 36.950 1.00 0.00 H ATOM 1291 HH12 ARG A 722 8.080 9.025 40.852 1.00 0.00 H ATOM 1292 HH11 ARG A 722 7.338 7.926 39.633 1.00 0.00 H ATOM 1293 HH22 ARG A 722 9.654 10.551 40.217 1.00 0.00 H ATOM 1294 HH21 ARG A 722 10.165 10.666 38.493 1.00 0.00 H ATOM 1295 H ARG A 722 3.290 8.731 35.545 1.00 0.00 H ATOM 1296 N ASP A 723 4.425 9.859 32.609 1.00 33.10 N ATOM 1297 CA ASP A 723 4.519 10.336 31.233 1.00 36.45 C ATOM 1298 C ASP A 723 3.194 10.142 30.500 1.00 30.33 C ATOM 1299 O ASP A 723 3.166 9.673 29.364 1.00 34.96 O ATOM 1300 CB ASP A 723 5.647 9.608 30.490 1.00 26.03 C ATOM 1301 CG ASP A 723 5.994 10.259 29.161 1.00 37.19 C ATOM 1302 OD1 ASP A 723 5.890 11.500 29.052 1.00 43.84 O ATOM 1303 OD2 ASP A 723 6.370 9.526 28.223 1.00 46.91 O ATOM 1304 H ASP A 723 3.608 9.282 32.894 1.00 0.00 H ATOM 1305 N LEU A 724 2.097 10.507 31.155 1.00 32.68 N ATOM 1306 CA LEU A 724 0.770 10.344 30.570 1.00 22.37 C ATOM 1307 C LEU A 724 0.450 11.480 29.605 1.00 34.26 C ATOM 1308 O LEU A 724 0.623 12.655 29.931 1.00 18.65 O ATOM 1309 CB LEU A 724 -0.292 10.271 31.670 1.00 20.62 C ATOM 1310 CG LEU A 724 -1.746 10.110 31.216 1.00 22.75 C ATOM 1311 CD1 LEU A 724 -1.933 8.842 30.395 1.00 23.63 C ATOM 1312 CD2 LEU A 724 -2.671 10.105 32.422 1.00 32.94 C ATOM 1313 H LEU A 724 2.186 10.918 32.106 1.00 0.00 H ATOM 1314 N ALA A 725 -0.021 11.118 28.416 1.00 26.11 N ATOM 1315 CA ALA A 725 -0.377 12.093 27.392 1.00 24.27 C ATOM 1316 C ALA A 725 -1.181 11.418 26.282 1.00 20.35 C ATOM 1317 O ALA A 725 -1.321 10.194 26.263 1.00 33.60 O ATOM 1318 CB ALA A 725 0.874 12.752 26.824 1.00 23.70 C ATOM 1319 H ALA A 725 -0.140 10.106 28.209 1.00 0.00 H ATOM 1320 N ALA A 726 -1.707 12.220 25.360 1.00 19.44 N ATOM 1321 CA ALA A 726 -2.516 11.705 24.259 1.00 26.30 C ATOM 1322 C ALA A 726 -1.648 10.963 23.244 1.00 29.08 C ATOM 1323 O ALA A 726 -2.097 10.011 22.604 1.00 26.42 O ATOM 1324 CB ALA A 726 -3.270 12.841 23.582 1.00 29.89 C ATOM 1325 H ALA A 726 -1.537 13.244 25.425 1.00 0.00 H ATOM 1326 N ARG A 727 -0.403 11.411 23.103 1.00 23.54 N ATOM 1327 CA ARG A 727 0.547 10.798 22.179 1.00 30.33 C ATOM 1328 C ARG A 727 0.953 9.394 22.637 1.00 34.44 C ATOM 1329 O ARG A 727 1.392 8.571 21.831 1.00 37.19 O ATOM 1330 CB ARG A 727 1.792 11.684 22.030 1.00 32.08 C ATOM 1331 CG ARG A 727 2.528 11.964 23.329 1.00 39.71 C ATOM 1332 CD ARG A 727 3.782 12.794 23.095 1.00 59.25 C ATOM 1333 NE ARG A 727 4.685 12.721 24.242 1.00 61.92 N ATOM 1334 CZ ARG A 727 4.643 13.539 25.291 1.00 64.91 C ATOM 1335 NH1 ARG A 727 3.746 14.515 25.354 1.00 28.42 N ATOM 1336 NH2 ARG A 727 5.507 13.381 26.284 1.00 67.40 N ATOM 1337 HE ARG A 727 5.412 11.977 24.238 1.00 0.00 H ATOM 1338 HH12 ARG A 727 3.723 15.148 26.179 1.00 0.00 H ATOM 1339 HH11 ARG A 727 3.066 14.647 24.578 1.00 0.00 H ATOM 1340 HH22 ARG A 727 5.477 14.018 27.105 1.00 0.00 H ATOM 1341 HH21 ARG A 727 6.214 12.620 26.242 1.00 0.00 H ATOM 1342 H ARG A 727 -0.096 12.226 23.671 1.00 0.00 H ATOM 1343 N ASN A 728 0.797 9.130 23.933 1.00 35.83 N ATOM 1344 CA ASN A 728 1.170 7.847 24.526 1.00 28.68 C ATOM 1345 C ASN A 728 0.019 6.837 24.520 1.00 30.39 C ATOM 1346 O ASN A 728 0.243 5.631 24.633 1.00 30.49 O ATOM 1347 CB ASN A 728 1.665 8.056 25.963 1.00 29.22 C ATOM 1348 CG ASN A 728 2.962 8.845 26.029 1.00 29.37 C ATOM 1349 OD1 ASN A 728 3.771 8.809 25.102 1.00 34.82 O ATOM 1350 ND2 ASN A 728 3.168 9.556 27.133 1.00 36.91 N ATOM 1351 HD22 ASN A 728 2.456 9.557 27.891 1.00 0.00 H ATOM 1352 HD21 ASN A 728 4.041 10.111 27.239 1.00 0.00 H ATOM 1353 H ASN A 728 0.394 9.866 24.548 1.00 0.00 H ATOM 1354 N CYS A 729 -1.209 7.333 24.391 1.00 28.47 N ATOM 1355 CA CYS A 729 -2.388 6.469 24.370 1.00 18.17 C ATOM 1356 C CYS A 729 -2.611 5.869 22.982 1.00 32.67 C ATOM 1357 O CYS A 729 -2.950 6.578 22.034 1.00 36.34 O ATOM 1358 CB CYS A 729 -3.627 7.250 24.816 1.00 20.46 C ATOM 1359 SG CYS A 729 -3.685 7.589 26.597 1.00 32.37 S ATOM 1360 H CYS A 729 -1.333 8.362 24.303 1.00 0.00 H ATOM 1361 N MET A 730 -2.423 4.555 22.882 1.00 27.98 N ATOM 1362 CA MET A 730 -2.566 3.838 21.619 1.00 25.84 C ATOM 1363 C MET A 730 -3.992 3.332 21.444 1.00 32.30 C ATOM 1364 O MET A 730 -4.725 3.161 22.420 1.00 34.38 O ATOM 1365 CB MET A 730 -1.586 2.664 21.552 1.00 17.34 C ATOM 1366 CG MET A 730 -0.160 3.015 21.949 1.00 20.39 C ATOM 1367 SD MET A 730 0.521 4.386 20.997 1.00 24.67 S ATOM 1368 CE MET A 730 0.568 3.674 19.354 1.00 35.67 C ATOM 1369 H MET A 730 -2.165 4.020 23.735 1.00 0.00 H ATOM 1370 N LEU A 731 -4.372 3.094 20.192 1.00 35.73 N ATOM 1371 CA LEU A 731 -5.692 2.571 19.857 1.00 31.71 C ATOM 1372 C LEU A 731 -5.610 1.104 19.449 1.00 29.48 C ATOM 1373 O LEU A 731 -4.853 0.745 18.546 1.00 26.42 O ATOM 1374 CB LEU A 731 -6.319 3.389 18.725 1.00 34.90 C ATOM 1375 CG LEU A 731 -6.747 4.817 19.066 1.00 30.20 C ATOM 1376 CD1 LEU A 731 -7.069 5.596 17.800 1.00 25.16 C ATOM 1377 CD2 LEU A 731 -7.946 4.801 19.999 1.00 28.65 C ATOM 1378 H LEU A 731 -3.702 3.288 19.421 1.00 0.00 H ATOM 1379 N ARG A 732 -6.391 0.262 20.118 1.00 31.18 N ATOM 1380 CA ARG A 732 -6.444 -1.157 19.789 1.00 24.78 C ATOM 1381 C ARG A 732 -7.206 -1.377 18.487 1.00 43.94 C ATOM 1382 O ARG A 732 -7.787 -0.444 17.932 1.00 36.82 O ATOM 1383 CB ARG A 732 -7.099 -1.949 20.922 1.00 31.89 C ATOM 1384 CG ARG A 732 -6.313 -1.944 22.224 1.00 32.30 C ATOM 1385 CD ARG A 732 -6.873 -2.950 23.217 1.00 49.00 C ATOM 1386 NE ARG A 732 -6.084 -3.003 24.446 1.00 53.37 N ATOM 1387 CZ ARG A 732 -4.956 -3.695 24.588 1.00 59.04 C ATOM 1388 NH1 ARG A 732 -4.464 -4.398 23.575 1.00 47.65 N ATOM 1389 NH2 ARG A 732 -4.313 -3.680 25.747 1.00 43.42 N ATOM 1390 HE ARG A 732 -6.427 -2.463 25.266 1.00 0.00 H ATOM 1391 HH12 ARG A 732 -3.582 -4.936 23.695 1.00 0.00 H ATOM 1392 HH11 ARG A 732 -4.961 -4.411 22.661 1.00 0.00 H ATOM 1393 HH22 ARG A 732 -3.431 -4.220 25.860 1.00 0.00 H ATOM 1394 HH21 ARG A 732 -4.690 -3.128 26.544 1.00 0.00 H ATOM 1395 H ARG A 732 -6.979 0.625 20.896 1.00 0.00 H ATOM 1396 N ASP A 733 -7.206 -2.617 18.007 1.00 41.00 N ATOM 1397 CA ASP A 733 -7.857 -2.954 16.745 1.00 30.44 C ATOM 1398 C ASP A 733 -9.372 -2.767 16.821 1.00 40.83 C ATOM 1399 O ASP A 733 -10.030 -2.567 15.800 1.00 47.29 O ATOM 1400 CB ASP A 733 -7.529 -4.395 16.347 1.00 43.04 C ATOM 1401 CG ASP A 733 -6.040 -4.627 16.164 1.00 41.80 C ATOM 1402 OD1 ASP A 733 -5.328 -3.674 15.781 1.00 34.27 O ATOM 1403 OD2 ASP A 733 -5.581 -5.764 16.402 1.00 44.22 O ATOM 1404 H ASP A 733 -6.729 -3.368 18.546 1.00 0.00 H ATOM 1405 N ASP A 734 -9.918 -2.835 18.033 1.00 40.33 N ATOM 1406 CA ASP A 734 -11.352 -2.650 18.245 1.00 37.76 C ATOM 1407 C ASP A 734 -11.670 -1.208 18.636 1.00 45.31 C ATOM 1408 O ASP A 734 -12.712 -0.934 19.233 1.00 45.96 O ATOM 1409 CB ASP A 734 -11.861 -3.611 19.322 1.00 49.16 C ATOM 1410 CG ASP A 734 -11.225 -3.362 20.675 1.00 53.99 C ATOM 1411 OD1 ASP A 734 -10.048 -2.946 20.712 1.00 59.30 O ATOM 1412 OD2 ASP A 734 -11.902 -3.581 21.702 1.00 47.33 O ATOM 1413 H ASP A 734 -9.307 -3.025 18.853 1.00 0.00 H ATOM 1414 N MET A 735 -10.765 -0.295 18.292 1.00 50.37 N ATOM 1415 CA MET A 735 -10.937 1.130 18.571 1.00 45.93 C ATOM 1416 C MET A 735 -11.163 1.400 20.058 1.00 45.81 C ATOM 1417 O MET A 735 -12.075 2.140 20.433 1.00 46.96 O ATOM 1418 CB MET A 735 -12.104 1.696 17.756 1.00 43.73 C ATOM 1419 CG MET A 735 -11.944 1.546 16.248 1.00 51.02 C ATOM 1420 SD MET A 735 -10.410 2.254 15.613 1.00 66.54 S ATOM 1421 CE MET A 735 -10.570 3.963 16.128 1.00 22.20 C ATOM 1422 H MET A 735 -9.901 -0.608 17.805 1.00 0.00 H ATOM 1423 N THR A 736 -10.328 0.792 20.896 1.00 35.41 N ATOM 1424 CA THR A 736 -10.349 1.040 22.334 1.00 31.31 C ATOM 1425 C THR A 736 -8.986 1.552 22.787 1.00 46.05 C ATOM 1426 O THR A 736 -7.950 0.983 22.440 1.00 52.82 O ATOM 1427 CB THR A 736 -10.715 -0.228 23.129 1.00 43.10 C ATOM 1428 OG1 THR A 736 -9.815 -1.289 22.787 1.00 45.14 O ATOM 1429 CG2 THR A 736 -12.142 -0.656 22.822 1.00 52.25 C ATOM 1430 HG1 THR A 736 -9.883 -1.478 21.818 1.00 0.00 H ATOM 1431 H THR A 736 -9.636 0.116 20.513 1.00 0.00 H ATOM 1432 N VAL A 737 -8.995 2.630 23.563 1.00 31.80 N ATOM 1433 CA VAL A 737 -7.763 3.281 23.989 1.00 40.11 C ATOM 1434 C VAL A 737 -7.055 2.468 25.070 1.00 35.93 C ATOM 1435 O VAL A 737 -7.699 1.817 25.893 1.00 32.41 O ATOM 1436 CB VAL A 737 -8.037 4.701 24.525 1.00 27.24 C ATOM 1437 CG1 VAL A 737 -6.733 5.428 24.804 1.00 24.52 C ATOM 1438 CG2 VAL A 737 -8.878 5.492 23.533 1.00 27.86 C ATOM 1439 H VAL A 737 -9.907 3.020 23.875 1.00 0.00 H ATOM 1440 N CYS A 738 -5.726 2.513 25.057 1.00 27.24 N ATOM 1441 CA CYS A 738 -4.920 1.839 26.067 1.00 14.34 C ATOM 1442 C CYS A 738 -3.671 2.656 26.373 1.00 25.33 C ATOM 1443 O CYS A 738 -2.980 3.114 25.463 1.00 24.26 O ATOM 1444 CB CYS A 738 -4.536 0.430 25.603 1.00 23.08 C ATOM 1445 SG CYS A 738 -3.596 0.368 24.056 1.00 45.08 S ATOM 1446 H CYS A 738 -5.247 3.046 24.303 1.00 0.00 H ATOM 1447 N VAL A 739 -3.395 2.849 27.659 1.00 23.04 N ATOM 1448 CA VAL A 739 -2.215 3.592 28.081 1.00 27.23 C ATOM 1449 C VAL A 739 -0.950 2.806 27.756 1.00 17.75 C ATOM 1450 O VAL A 739 -0.984 1.580 27.644 1.00 20.36 O ATOM 1451 CB VAL A 739 -2.250 3.908 29.592 1.00 25.64 C ATOM 1452 CG1 VAL A 739 -3.424 4.820 29.915 1.00 33.00 C ATOM 1453 CG2 VAL A 739 -2.318 2.625 30.417 1.00 24.75 C ATOM 1454 H VAL A 739 -4.036 2.461 28.380 1.00 0.00 H ATOM 1455 N ALA A 740 0.164 3.515 27.605 1.00 18.51 N ATOM 1456 CA ALA A 740 1.434 2.881 27.270 1.00 21.34 C ATOM 1457 C ALA A 740 2.604 3.830 27.506 1.00 33.46 C ATOM 1458 O ALA A 740 2.420 4.952 27.976 1.00 40.08 O ATOM 1459 CB ALA A 740 1.421 2.408 25.823 1.00 26.82 C ATOM 1460 H ALA A 740 0.129 4.547 27.729 1.00 0.00 H ATOM 1461 N ASP A 741 3.804 3.360 27.178 1.00 44.84 N ATOM 1462 CA ASP A 741 5.022 4.162 27.273 1.00 53.48 C ATOM 1463 C ASP A 741 5.354 4.535 28.718 1.00 38.92 C ATOM 1464 O ASP A 741 6.066 5.508 28.964 1.00 41.42 O ATOM 1465 CB ASP A 741 4.891 5.431 26.421 1.00 39.53 C ATOM 1466 CG ASP A 741 6.233 6.073 26.110 1.00 46.62 C ATOM 1467 OD1 ASP A 741 7.218 5.335 25.890 1.00 63.32 O ATOM 1468 OD2 ASP A 741 6.303 7.320 26.087 1.00 61.23 O ATOM 1469 H ASP A 741 3.879 2.380 26.839 1.00 0.00 H ATOM 1470 N PHE A 742 4.842 3.760 29.671 1.00 31.87 N ATOM 1471 CA PHE A 742 5.187 3.967 31.076 1.00 36.61 C ATOM 1472 C PHE A 742 6.485 3.233 31.398 1.00 52.39 C ATOM 1473 O PHE A 742 6.530 2.004 31.428 1.00 64.19 O ATOM 1474 CB PHE A 742 4.058 3.511 32.017 1.00 40.40 C ATOM 1475 CG PHE A 742 3.365 2.243 31.594 1.00 39.80 C ATOM 1476 CD1 PHE A 742 3.825 1.007 32.017 1.00 42.53 C ATOM 1477 CD2 PHE A 742 2.236 2.292 30.793 1.00 35.48 C ATOM 1478 CE1 PHE A 742 3.182 -0.155 31.635 1.00 45.69 C ATOM 1479 CE2 PHE A 742 1.590 1.134 30.410 1.00 35.26 C ATOM 1480 CZ PHE A 742 2.063 -0.091 30.831 1.00 31.72 C ATOM 1481 H PHE A 742 4.186 2.995 29.412 1.00 0.00 H ATOM 1482 N GLY A 743 7.545 4.003 31.625 1.00 57.75 N ATOM 1483 CA GLY A 743 8.856 3.444 31.895 1.00 42.24 C ATOM 1484 C GLY A 743 8.894 2.653 33.187 1.00 52.58 C ATOM 1485 O GLY A 743 9.302 1.492 33.201 1.00 61.20 O ATOM 1486 H GLY A 743 7.431 5.037 31.608 1.00 0.00 H TER 1487 GLY A 743 ATOM 1488 N PRO A 763 8.232 17.838 28.372 1.00 62.57 N ATOM 1489 CA PRO A 763 6.777 17.846 28.545 1.00 55.29 C ATOM 1490 C PRO A 763 6.361 18.537 29.845 1.00 51.84 C ATOM 1491 O PRO A 763 5.620 17.974 30.650 1.00 64.43 O ATOM 1492 CB PRO A 763 6.429 16.355 28.553 1.00 66.67 C ATOM 1493 CG PRO A 763 7.630 15.706 29.144 1.00 78.48 C ATOM 1494 CD PRO A 763 8.810 16.512 28.657 1.00 74.72 C ATOM 1495 HN2 PRO A 763 8.652 18.535 29.020 1.00 0.00 H ATOM 1496 HN1 PRO A 763 8.456 18.099 27.391 1.00 0.00 H ATOM 1497 N VAL A 764 6.842 19.762 30.036 1.00 34.03 N ATOM 1498 CA VAL A 764 6.577 20.519 31.255 1.00 40.61 C ATOM 1499 C VAL A 764 5.090 20.820 31.419 1.00 35.26 C ATOM 1500 O VAL A 764 4.576 20.870 32.537 1.00 44.98 O ATOM 1501 CB VAL A 764 7.357 21.850 31.267 1.00 49.06 C ATOM 1502 CG1 VAL A 764 7.106 22.611 32.564 1.00 48.76 C ATOM 1503 CG2 VAL A 764 8.848 21.598 31.082 1.00 48.33 C ATOM 1504 H VAL A 764 7.426 20.195 29.292 1.00 0.00 H ATOM 1505 N LYS A 765 4.403 21.022 30.299 1.00 35.72 N ATOM 1506 CA LYS A 765 2.992 21.392 30.317 1.00 48.22 C ATOM 1507 C LYS A 765 2.089 20.251 30.785 1.00 51.91 C ATOM 1508 O LYS A 765 0.904 20.461 31.045 1.00 40.33 O ATOM 1509 CB LYS A 765 2.557 21.862 28.928 1.00 39.46 C ATOM 1510 CG LYS A 765 3.237 23.145 28.472 1.00 37.81 C ATOM 1511 CD LYS A 765 2.614 23.683 27.195 1.00 24.92 C ATOM 1512 CE LYS A 765 3.153 25.063 26.851 1.00 43.83 C ATOM 1513 NZ LYS A 765 2.509 25.627 25.633 1.00 36.26 N ATOM 1514 HZ1 LYS A 765 2.688 24.998 24.825 1.00 0.00 H ATOM 1515 HZ2 LYS A 765 1.484 25.708 25.790 1.00 0.00 H ATOM 1516 HZ3 LYS A 765 2.907 26.568 25.436 1.00 0.00 H ATOM 1517 H LYS A 765 4.885 20.913 29.384 1.00 0.00 H ATOM 1518 N TRP A 766 2.651 19.049 30.886 1.00 50.90 N ATOM 1519 CA TRP A 766 1.914 17.888 31.379 1.00 48.65 C ATOM 1520 C TRP A 766 2.282 17.566 32.826 1.00 35.94 C ATOM 1521 O TRP A 766 1.552 16.855 33.518 1.00 38.43 O ATOM 1522 CB TRP A 766 2.177 16.671 30.490 1.00 42.03 C ATOM 1523 CG TRP A 766 1.376 16.668 29.223 1.00 53.74 C ATOM 1524 CD1 TRP A 766 0.169 16.066 29.018 1.00 34.56 C ATOM 1525 CD2 TRP A 766 1.723 17.299 27.982 1.00 33.32 C ATOM 1526 NE1 TRP A 766 -0.257 16.281 27.730 1.00 22.50 N ATOM 1527 CE2 TRP A 766 0.679 17.035 27.074 1.00 40.94 C ATOM 1528 CE3 TRP A 766 2.815 18.060 27.555 1.00 32.01 C ATOM 1529 CZ2 TRP A 766 0.695 17.505 25.762 1.00 35.55 C ATOM 1530 CZ3 TRP A 766 2.828 18.526 26.251 1.00 36.86 C ATOM 1531 CH2 TRP A 766 1.776 18.247 25.371 1.00 36.10 C ATOM 1532 HE1 TRP A 766 -1.145 15.929 27.320 1.00 0.00 H ATOM 1533 H TRP A 766 3.646 18.933 30.605 1.00 0.00 H ATOM 1534 N ILE A 767 3.415 18.093 33.278 1.00 38.76 N ATOM 1535 CA ILE A 767 3.885 17.859 34.639 1.00 40.06 C ATOM 1536 C ILE A 767 3.114 18.728 35.632 1.00 41.85 C ATOM 1537 O ILE A 767 2.806 19.885 35.348 1.00 45.18 O ATOM 1538 CB ILE A 767 5.398 18.142 34.759 1.00 53.09 C ATOM 1539 CG1 ILE A 767 6.183 17.174 33.870 1.00 46.66 C ATOM 1540 CG2 ILE A 767 5.861 18.003 36.202 1.00 51.10 C ATOM 1541 CD1 ILE A 767 7.657 17.506 33.730 1.00 46.08 C ATOM 1542 H ILE A 767 3.983 18.690 32.643 1.00 0.00 H ATOM 1543 N ALA A 768 2.807 18.162 36.796 1.00 39.16 N ATOM 1544 CA ALA A 768 2.041 18.868 37.819 1.00 29.40 C ATOM 1545 C ALA A 768 2.887 19.943 38.495 1.00 37.85 C ATOM 1546 O ALA A 768 4.113 19.850 38.524 1.00 39.56 O ATOM 1547 CB ALA A 768 1.509 17.886 38.851 1.00 28.56 C ATOM 1548 H ALA A 768 3.122 17.189 36.983 1.00 0.00 H ATOM 1549 N ILE A 769 2.222 20.957 39.043 1.00 35.91 N ATOM 1550 CA ILE A 769 2.906 22.104 39.635 1.00 38.22 C ATOM 1551 C ILE A 769 3.835 21.702 40.780 1.00 41.87 C ATOM 1552 O ILE A 769 4.909 22.283 40.946 1.00 51.23 O ATOM 1553 CB ILE A 769 1.895 23.155 40.153 1.00 35.75 C ATOM 1554 CG1 ILE A 769 2.634 24.364 40.733 1.00 44.44 C ATOM 1555 CG2 ILE A 769 0.959 22.546 41.197 1.00 18.81 C ATOM 1556 CD1 ILE A 769 1.745 25.564 40.983 1.00 38.82 C ATOM 1557 H ILE A 769 1.182 20.932 39.050 1.00 0.00 H ATOM 1558 N GLU A 770 3.425 20.713 41.568 1.00 40.56 N ATOM 1559 CA GLU A 770 4.240 20.252 42.688 1.00 32.87 C ATOM 1560 C GLU A 770 5.447 19.462 42.191 1.00 37.67 C ATOM 1561 O GLU A 770 6.466 19.371 42.877 1.00 44.16 O ATOM 1562 CB GLU A 770 3.413 19.397 43.658 1.00 36.26 C ATOM 1563 CG GLU A 770 2.928 18.051 43.114 1.00 43.59 C ATOM 1564 CD GLU A 770 1.708 18.168 42.216 1.00 46.80 C ATOM 1565 OE1 GLU A 770 1.282 19.306 41.923 1.00 52.50 O ATOM 1566 OE2 GLU A 770 1.171 17.116 41.807 1.00 43.73 O ATOM 1567 H GLU A 770 2.507 20.260 41.383 1.00 0.00 H ATOM 1568 N SER A 771 5.322 18.895 40.996 1.00 40.87 N ATOM 1569 CA SER A 771 6.390 18.101 40.401 1.00 35.65 C ATOM 1570 C SER A 771 7.404 18.976 39.664 1.00 51.22 C ATOM 1571 O SER A 771 8.383 18.472 39.111 1.00 55.09 O ATOM 1572 CB SER A 771 5.801 17.063 39.445 1.00 56.45 C ATOM 1573 OG SER A 771 4.902 16.199 40.118 1.00 48.93 O ATOM 1574 HG SER A 771 5.382 15.725 40.843 1.00 0.00 H ATOM 1575 H SER A 771 4.435 19.022 40.469 1.00 0.00 H ATOM 1576 N LEU A 772 7.163 20.284 39.656 1.00 44.65 N ATOM 1577 CA LEU A 772 8.078 21.239 39.035 1.00 65.27 C ATOM 1578 C LEU A 772 8.980 21.881 40.085 1.00 67.50 C ATOM 1579 O LEU A 772 10.131 22.221 39.807 1.00 67.57 O ATOM 1580 CB LEU A 772 7.300 22.321 38.281 1.00 53.65 C ATOM 1581 CG LEU A 772 6.458 21.853 37.090 1.00 36.00 C ATOM 1582 CD1 LEU A 772 5.630 23.005 36.541 1.00 33.58 C ATOM 1583 CD2 LEU A 772 7.333 21.257 35.997 1.00 46.21 C ATOM 1584 H LEU A 772 6.295 20.638 40.106 1.00 0.00 H ATOM 1585 N ALA A 773 8.448 22.042 41.293 1.00 61.75 N ATOM 1586 CA ALA A 773 9.187 22.663 42.387 1.00 62.12 C ATOM 1587 C ALA A 773 9.969 21.624 43.185 1.00 68.79 C ATOM 1588 O ALA A 773 11.200 21.621 43.177 1.00 81.10 O ATOM 1589 CB ALA A 773 8.235 23.421 43.299 1.00 52.40 C ATOM 1590 H ALA A 773 7.475 21.715 41.463 1.00 0.00 H ATOM 1591 N ASP A 774 9.246 20.745 43.872 1.00 62.34 N ATOM 1592 CA ASP A 774 9.866 19.732 44.719 1.00 76.03 C ATOM 1593 C ASP A 774 10.320 18.516 43.915 1.00 75.16 C ATOM 1594 O ASP A 774 11.059 17.672 44.423 1.00 69.43 O ATOM 1595 CB ASP A 774 8.892 19.294 45.814 1.00 81.70 C ATOM 1596 CG ASP A 774 8.411 20.454 46.662 1.00 90.04 C ATOM 1597 OD1 ASP A 774 8.316 21.580 46.130 1.00 79.70 O ATOM 1598 OD2 ASP A 774 8.128 20.242 47.860 1.00 87.25 O ATOM 1599 H ASP A 774 8.209 20.781 43.804 1.00 0.00 H ATOM 1600 N ARG A 775 9.878 18.437 42.662 1.00 68.35 N ATOM 1601 CA ARG A 775 10.213 17.317 41.783 1.00 72.54 C ATOM 1602 C ARG A 775 9.797 15.983 42.402 1.00 78.28 C ATOM 1603 O ARG A 775 10.549 15.007 42.367 1.00 79.48 O ATOM 1604 CB ARG A 775 11.711 17.315 41.460 1.00 76.05 C ATOM 1605 CG ARG A 775 12.171 18.549 40.700 1.00 77.99 C ATOM 1606 CD ARG A 775 13.653 18.490 40.367 1.00 90.57 C ATOM 1607 NE ARG A 775 14.073 19.627 39.553 1.00115.02 N ATOM 1608 CZ ARG A 775 15.319 19.834 39.137 1.00117.81 C ATOM 1609 NH1 ARG A 775 16.283 18.981 39.457 1.00120.25 N ATOM 1610 NH2 ARG A 775 15.602 20.898 38.399 1.00114.30 N ATOM 1611 HE ARG A 775 13.349 20.322 39.280 1.00 0.00 H ATOM 1612 HH12 ARG A 775 17.256 19.148 39.129 1.00 0.00 H ATOM 1613 HH11 ARG A 775 16.066 18.145 40.036 1.00 0.00 H ATOM 1614 HH22 ARG A 775 16.576 21.061 38.073 1.00 0.00 H ATOM 1615 HH21 ARG A 775 14.850 21.570 38.146 1.00 0.00 H ATOM 1616 H ARG A 775 9.273 19.199 42.295 1.00 0.00 H ATOM 1617 N VAL A 776 8.594 15.959 42.969 1.00 71.44 N ATOM 1618 CA VAL A 776 8.020 14.748 43.543 1.00 63.93 C ATOM 1619 C VAL A 776 6.923 14.220 42.621 1.00 66.41 C ATOM 1620 O VAL A 776 6.246 14.999 41.951 1.00 67.58 O ATOM 1621 CB VAL A 776 7.442 15.007 44.954 1.00 68.60 C ATOM 1622 CG1 VAL A 776 6.335 16.057 44.906 1.00 48.09 C ATOM 1623 CG2 VAL A 776 6.931 13.714 45.574 1.00 74.25 C ATOM 1624 H VAL A 776 8.041 16.839 43.004 1.00 0.00 H ATOM 1625 N TYR A 777 6.752 12.900 42.590 1.00 72.87 N ATOM 1626 CA TYR A 777 5.751 12.274 41.730 1.00 57.73 C ATOM 1627 C TYR A 777 4.907 11.257 42.494 1.00 54.92 C ATOM 1628 O TYR A 777 5.407 10.218 42.927 1.00 75.94 O ATOM 1629 CB TYR A 777 6.422 11.600 40.532 1.00 68.22 C ATOM 1630 CG TYR A 777 6.972 12.575 39.514 1.00 81.73 C ATOM 1631 CD1 TYR A 777 6.205 12.984 38.430 1.00 81.96 C ATOM 1632 CD2 TYR A 777 8.256 13.089 39.638 1.00 85.04 C ATOM 1633 CE1 TYR A 777 6.703 13.876 37.497 1.00104.76 C ATOM 1634 CE2 TYR A 777 8.762 13.981 38.711 1.00 87.44 C ATOM 1635 CZ TYR A 777 7.982 14.370 37.643 1.00107.63 C ATOM 1636 OH TYR A 777 8.483 15.258 36.719 1.00112.71 O ATOM 1637 HH TYR A 777 7.800 15.429 36.023 1.00 0.00 H ATOM 1638 H TYR A 777 7.347 12.298 43.194 1.00 0.00 H ATOM 1639 N THR A 778 3.626 11.576 42.653 1.00 55.74 N ATOM 1640 CA THR A 778 2.669 10.688 43.304 1.00 45.02 C ATOM 1641 C THR A 778 1.612 10.242 42.299 1.00 35.29 C ATOM 1642 O THR A 778 1.756 10.465 41.097 1.00 39.81 O ATOM 1643 CB THR A 778 1.984 11.374 44.503 1.00 45.50 C ATOM 1644 OG1 THR A 778 1.265 12.531 44.054 1.00 54.66 O ATOM 1645 CG2 THR A 778 3.014 11.790 45.543 1.00 45.78 C ATOM 1646 HG1 THR A 778 0.828 12.967 44.828 1.00 0.00 H ATOM 1647 H THR A 778 3.293 12.495 42.299 1.00 0.00 H ATOM 1648 N SER A 779 0.553 9.608 42.792 1.00 44.26 N ATOM 1649 CA SER A 779 -0.538 9.166 41.933 1.00 40.29 C ATOM 1650 C SER A 779 -1.311 10.361 41.382 1.00 28.63 C ATOM 1651 O SER A 779 -1.763 10.345 40.238 1.00 33.99 O ATOM 1652 CB SER A 779 -1.483 8.239 42.699 1.00 31.49 C ATOM 1653 OG SER A 779 -0.803 7.085 43.159 1.00 73.76 O ATOM 1654 HG SER A 779 -1.436 6.504 43.650 1.00 0.00 H ATOM 1655 H SER A 779 0.502 9.423 43.814 1.00 0.00 H ATOM 1656 N LYS A 780 -1.455 11.396 42.204 1.00 49.98 N ATOM 1657 CA LYS A 780 -2.195 12.590 41.812 1.00 40.57 C ATOM 1658 C LYS A 780 -1.434 13.402 40.769 1.00 35.31 C ATOM 1659 O LYS A 780 -2.007 14.266 40.104 1.00 43.89 O ATOM 1660 CB LYS A 780 -2.492 13.457 43.038 1.00 40.63 C ATOM 1661 CG LYS A 780 -3.254 12.735 44.142 1.00 23.84 C ATOM 1662 CD LYS A 780 -4.591 12.197 43.648 1.00 26.53 C ATOM 1663 CE LYS A 780 -5.381 11.544 44.769 1.00 22.87 C ATOM 1664 NZ LYS A 780 -5.781 12.519 45.820 1.00 37.97 N ATOM 1665 HZ1 LYS A 780 -4.930 12.950 46.234 1.00 0.00 H ATOM 1666 HZ2 LYS A 780 -6.375 13.260 45.396 1.00 0.00 H ATOM 1667 HZ3 LYS A 780 -6.317 12.026 46.562 1.00 0.00 H ATOM 1668 H LYS A 780 -1.029 11.353 43.152 1.00 0.00 H ATOM 1669 N SER A 781 -0.141 13.128 40.630 1.00 33.92 N ATOM 1670 CA SER A 781 0.669 13.786 39.613 1.00 21.45 C ATOM 1671 C SER A 781 0.286 13.274 38.228 1.00 29.61 C ATOM 1672 O SER A 781 0.406 13.990 37.234 1.00 41.75 O ATOM 1673 CB SER A 781 2.157 13.555 39.874 1.00 42.98 C ATOM 1674 OG SER A 781 2.526 14.031 41.156 1.00 55.32 O ATOM 1675 HG SER A 781 2.340 15.002 41.213 1.00 0.00 H ATOM 1676 H SER A 781 0.302 12.429 41.260 1.00 0.00 H ATOM 1677 N ASP A 782 -0.176 12.028 38.174 1.00 29.94 N ATOM 1678 CA ASP A 782 -0.653 11.438 36.928 1.00 29.31 C ATOM 1679 C ASP A 782 -2.071 11.912 36.627 1.00 30.05 C ATOM 1680 O ASP A 782 -2.474 11.995 35.467 1.00 32.15 O ATOM 1681 CB ASP A 782 -0.609 9.911 37.005 1.00 33.31 C ATOM 1682 CG ASP A 782 0.792 9.379 37.234 1.00 38.82 C ATOM 1683 OD1 ASP A 782 1.757 10.028 36.779 1.00 43.50 O ATOM 1684 OD2 ASP A 782 0.928 8.313 37.869 1.00 28.52 O ATOM 1685 H ASP A 782 -0.198 11.459 39.044 1.00 0.00 H ATOM 1686 N VAL A 783 -2.822 12.217 37.680 1.00 17.36 N ATOM 1687 CA VAL A 783 -4.166 12.761 37.533 1.00 24.35 C ATOM 1688 C VAL A 783 -4.097 14.120 36.844 1.00 30.11 C ATOM 1689 O VAL A 783 -4.976 14.476 36.060 1.00 38.02 O ATOM 1690 CB VAL A 783 -4.871 12.906 38.896 1.00 18.10 C ATOM 1691 CG1 VAL A 783 -6.251 13.521 38.725 1.00 31.69 C ATOM 1692 CG2 VAL A 783 -4.975 11.555 39.589 1.00 21.14 C ATOM 1693 H VAL A 783 -2.440 12.063 38.635 1.00 0.00 H ATOM 1694 N TRP A 784 -3.047 14.876 37.153 1.00 21.31 N ATOM 1695 CA TRP A 784 -2.795 16.155 36.499 1.00 25.18 C ATOM 1696 C TRP A 784 -2.606 15.948 35.002 1.00 29.43 C ATOM 1697 O TRP A 784 -3.254 16.605 34.188 1.00 31.78 O ATOM 1698 CB TRP A 784 -1.560 16.834 37.098 1.00 34.60 C ATOM 1699 CG TRP A 784 -1.250 18.179 36.496 1.00 28.06 C ATOM 1700 CD1 TRP A 784 -0.685 18.422 35.276 1.00 36.67 C ATOM 1701 CD2 TRP A 784 -1.480 19.462 37.093 1.00 26.76 C ATOM 1702 NE1 TRP A 784 -0.555 19.775 35.075 1.00 43.36 N ATOM 1703 CE2 TRP A 784 -1.034 20.435 36.175 1.00 24.14 C ATOM 1704 CE3 TRP A 784 -2.019 19.881 38.312 1.00 39.63 C ATOM 1705 CZ2 TRP A 784 -1.114 21.801 36.440 1.00 37.74 C ATOM 1706 CZ3 TRP A 784 -2.097 21.239 38.572 1.00 31.58 C ATOM 1707 CH2 TRP A 784 -1.646 22.182 37.640 1.00 33.55 C ATOM 1708 HE1 TRP A 784 -0.157 20.225 34.226 1.00 0.00 H ATOM 1709 H TRP A 784 -2.385 14.545 37.884 1.00 0.00 H ATOM 1710 N ALA A 785 -1.710 15.031 34.649 1.00 16.53 N ATOM 1711 CA ALA A 785 -1.443 14.714 33.252 1.00 24.93 C ATOM 1712 C ALA A 785 -2.686 14.138 32.584 1.00 31.23 C ATOM 1713 O ALA A 785 -2.926 14.366 31.398 1.00 35.47 O ATOM 1714 CB ALA A 785 -0.283 13.740 33.144 1.00 20.21 C ATOM 1715 H ALA A 785 -1.185 14.526 35.391 1.00 0.00 H ATOM 1716 N PHE A 786 -3.472 13.390 33.351 1.00 24.44 N ATOM 1717 CA PHE A 786 -4.721 12.831 32.849 1.00 18.43 C ATOM 1718 C PHE A 786 -5.713 13.948 32.545 1.00 18.42 C ATOM 1719 O PHE A 786 -6.519 13.841 31.622 1.00 26.18 O ATOM 1720 CB PHE A 786 -5.318 11.850 33.860 1.00 20.76 C ATOM 1721 CG PHE A 786 -6.672 11.330 33.474 1.00 19.93 C ATOM 1722 CD1 PHE A 786 -6.825 10.501 32.375 1.00 27.06 C ATOM 1723 CD2 PHE A 786 -7.793 11.666 34.214 1.00 29.40 C ATOM 1724 CE1 PHE A 786 -8.071 10.021 32.020 1.00 24.94 C ATOM 1725 CE2 PHE A 786 -9.041 11.188 33.865 1.00 28.40 C ATOM 1726 CZ PHE A 786 -9.180 10.365 32.766 1.00 17.09 C ATOM 1727 H PHE A 786 -3.189 13.199 34.333 1.00 0.00 H ATOM 1728 N GLY A 787 -5.644 15.021 33.327 1.00 21.80 N ATOM 1729 CA GLY A 787 -6.489 16.179 33.106 1.00 15.17 C ATOM 1730 C GLY A 787 -6.151 16.860 31.795 1.00 25.86 C ATOM 1731 O GLY A 787 -7.040 17.292 31.061 1.00 25.22 O ATOM 1732 H GLY A 787 -4.967 15.030 34.117 1.00 0.00 H ATOM 1733 N VAL A 788 -4.858 16.954 31.501 1.00 16.31 N ATOM 1734 CA VAL A 788 -4.398 17.548 30.252 1.00 29.26 C ATOM 1735 C VAL A 788 -4.750 16.641 29.078 1.00 26.66 C ATOM 1736 O VAL A 788 -5.072 17.117 27.991 1.00 24.37 O ATOM 1737 CB VAL A 788 -2.877 17.798 30.268 1.00 30.56 C ATOM 1738 CG1 VAL A 788 -2.431 18.474 28.976 1.00 28.20 C ATOM 1739 CG2 VAL A 788 -2.488 18.645 31.470 1.00 24.87 C ATOM 1740 H VAL A 788 -4.157 16.594 32.180 1.00 0.00 H ATOM 1741 N THR A 789 -4.679 15.332 29.305 1.00 27.27 N ATOM 1742 CA THR A 789 -5.032 14.355 28.283 1.00 21.69 C ATOM 1743 C THR A 789 -6.484 14.538 27.855 1.00 20.08 C ATOM 1744 O THR A 789 -6.811 14.439 26.673 1.00 35.32 O ATOM 1745 CB THR A 789 -4.827 12.912 28.784 1.00 33.07 C ATOM 1746 OG1 THR A 789 -3.486 12.754 29.263 1.00 19.07 O ATOM 1747 CG2 THR A 789 -5.084 11.908 27.667 1.00 15.86 C ATOM 1748 HG1 THR A 789 -3.326 13.387 30.007 1.00 0.00 H ATOM 1749 H THR A 789 -4.363 14.997 30.237 1.00 0.00 H ATOM 1750 N MET A 790 -7.349 14.805 28.827 1.00 21.82 N ATOM 1751 CA MET A 790 -8.760 15.052 28.556 1.00 32.79 C ATOM 1752 C MET A 790 -8.944 16.342 27.764 1.00 28.77 C ATOM 1753 O MET A 790 -9.901 16.483 27.003 1.00 21.77 O ATOM 1754 CB MET A 790 -9.548 15.124 29.865 1.00 28.88 C ATOM 1755 CG MET A 790 -9.613 13.808 30.623 1.00 27.95 C ATOM 1756 SD MET A 790 -10.019 14.029 32.367 1.00 30.00 S ATOM 1757 CE MET A 790 -11.604 14.853 32.250 1.00 9.45 C ATOM 1758 H MET A 790 -7.010 14.839 29.810 1.00 0.00 H ATOM 1759 N TRP A 791 -8.021 17.282 27.947 1.00 31.52 N ATOM 1760 CA TRP A 791 -8.088 18.565 27.259 1.00 31.67 C ATOM 1761 C TRP A 791 -7.707 18.413 25.789 1.00 25.93 C ATOM 1762 O TRP A 791 -8.290 19.060 24.920 1.00 27.94 O ATOM 1763 CB TRP A 791 -7.172 19.586 27.939 1.00 39.17 C ATOM 1764 CG TRP A 791 -7.356 20.985 27.439 1.00 33.12 C ATOM 1765 CD1 TRP A 791 -8.274 21.896 27.874 1.00 32.97 C ATOM 1766 CD2 TRP A 791 -6.600 21.637 26.412 1.00 25.24 C ATOM 1767 NE1 TRP A 791 -8.138 23.074 27.180 1.00 17.02 N ATOM 1768 CE2 TRP A 791 -7.116 22.940 26.276 1.00 34.46 C ATOM 1769 CE3 TRP A 791 -5.536 21.244 25.593 1.00 19.74 C ATOM 1770 CZ2 TRP A 791 -6.607 23.853 25.356 1.00 22.08 C ATOM 1771 CZ3 TRP A 791 -5.032 22.151 24.680 1.00 30.20 C ATOM 1772 CH2 TRP A 791 -5.567 23.441 24.569 1.00 23.89 C ATOM 1773 HE1 TRP A 791 -8.716 23.928 27.318 1.00 0.00 H ATOM 1774 H TRP A 791 -7.231 17.097 28.598 1.00 0.00 H ATOM 1775 N GLU A 792 -6.728 17.555 25.518 1.00 32.68 N ATOM 1776 CA GLU A 792 -6.279 17.310 24.151 1.00 23.39 C ATOM 1777 C GLU A 792 -7.361 16.607 23.337 1.00 28.25 C ATOM 1778 O GLU A 792 -7.543 16.892 22.154 1.00 35.58 O ATOM 1779 CB GLU A 792 -4.997 16.474 24.148 1.00 22.34 C ATOM 1780 CG GLU A 792 -3.809 17.154 24.810 1.00 25.84 C ATOM 1781 CD GLU A 792 -2.560 16.296 24.787 1.00 24.41 C ATOM 1782 OE1 GLU A 792 -2.037 15.976 25.876 1.00 35.52 O ATOM 1783 OE2 GLU A 792 -2.097 15.946 23.681 1.00 33.94 O ATOM 1784 H GLU A 792 -6.270 17.045 26.300 1.00 0.00 H ATOM 1785 N ILE A 793 -8.074 15.688 23.979 1.00 26.29 N ATOM 1786 CA ILE A 793 -9.137 14.940 23.318 1.00 28.03 C ATOM 1787 C ILE A 793 -10.322 15.850 23.004 1.00 22.04 C ATOM 1788 O ILE A 793 -10.889 15.789 21.912 1.00 25.02 O ATOM 1789 CB ILE A 793 -9.610 13.756 24.186 1.00 16.76 C ATOM 1790 CG1 ILE A 793 -8.459 12.773 24.415 1.00 25.43 C ATOM 1791 CG2 ILE A 793 -10.778 13.033 23.521 1.00 33.34 C ATOM 1792 CD1 ILE A 793 -8.721 11.756 25.510 1.00 20.23 C ATOM 1793 H ILE A 793 -7.868 15.497 24.980 1.00 0.00 H ATOM 1794 N ALA A 794 -10.693 16.688 23.966 1.00 23.61 N ATOM 1795 CA ALA A 794 -11.810 17.611 23.794 1.00 18.85 C ATOM 1796 C ALA A 794 -11.491 18.668 22.741 1.00 28.02 C ATOM 1797 O ALA A 794 -12.388 19.170 22.062 1.00 46.30 O ATOM 1798 CB ALA A 794 -12.155 18.274 25.119 1.00 26.92 C ATOM 1799 H ALA A 794 -10.173 16.686 24.867 1.00 0.00 H ATOM 1800 N THR A 795 -10.210 18.999 22.612 1.00 20.34 N ATOM 1801 CA THR A 795 -9.759 20.005 21.654 1.00 26.98 C ATOM 1802 C THR A 795 -9.273 19.376 20.349 1.00 30.12 C ATOM 1803 O THR A 795 -8.907 20.083 19.411 1.00 24.26 O ATOM 1804 CB THR A 795 -8.625 20.861 22.241 1.00 20.68 C ATOM 1805 OG1 THR A 795 -7.563 20.012 22.694 1.00 35.04 O ATOM 1806 CG2 THR A 795 -9.136 21.706 23.400 1.00 23.91 C ATOM 1807 HG1 THR A 795 -7.907 19.399 23.391 1.00 0.00 H ATOM 1808 H THR A 795 -9.506 18.526 23.213 1.00 0.00 H ATOM 1809 N ARG A 796 -9.268 18.046 20.303 1.00 34.94 N ATOM 1810 CA ARG A 796 -8.878 17.302 19.106 1.00 26.68 C ATOM 1811 C ARG A 796 -7.455 17.628 18.650 1.00 24.46 C ATOM 1812 O ARG A 796 -7.226 17.955 17.484 1.00 27.43 O ATOM 1813 CB ARG A 796 -9.865 17.573 17.964 1.00 33.28 C ATOM 1814 CG ARG A 796 -11.281 17.104 18.248 1.00 40.22 C ATOM 1815 CD ARG A 796 -12.217 17.444 17.100 1.00 52.62 C ATOM 1816 NE ARG A 796 -13.541 16.849 17.275 1.00 49.66 N ATOM 1817 CZ ARG A 796 -14.512 17.373 18.018 1.00 36.24 C ATOM 1818 NH1 ARG A 796 -14.321 18.511 18.674 1.00 34.14 N ATOM 1819 NH2 ARG A 796 -15.680 16.753 18.109 1.00 32.58 N ATOM 1820 HE ARG A 796 -13.737 15.953 16.784 1.00 0.00 H ATOM 1821 HH12 ARG A 796 -15.086 18.913 19.252 1.00 0.00 H ATOM 1822 HH11 ARG A 796 -13.406 19.001 18.610 1.00 0.00 H ATOM 1823 HH22 ARG A 796 -16.441 17.160 18.689 1.00 0.00 H ATOM 1824 HH21 ARG A 796 -15.835 15.859 17.600 1.00 0.00 H ATOM 1825 H ARG A 796 -9.552 17.515 21.151 1.00 0.00 H ATOM 1826 N GLY A 797 -6.505 17.542 19.577 1.00 25.68 N ATOM 1827 CA GLY A 797 -5.094 17.627 19.242 1.00 26.20 C ATOM 1828 C GLY A 797 -4.468 19.006 19.358 1.00 21.07 C ATOM 1829 O GLY A 797 -3.471 19.291 18.693 1.00 33.81 O ATOM 1830 H GLY A 797 -6.781 17.410 20.571 1.00 0.00 H ATOM 1831 N MET A 798 -5.039 19.863 20.199 1.00 22.65 N ATOM 1832 CA MET A 798 -4.446 21.173 20.458 1.00 14.79 C ATOM 1833 C MET A 798 -3.298 21.051 21.452 1.00 14.76 C ATOM 1834 O MET A 798 -3.339 20.224 22.363 1.00 18.57 O ATOM 1835 CB MET A 798 -5.489 22.155 20.996 1.00 15.40 C ATOM 1836 CG MET A 798 -6.413 22.731 19.936 1.00 26.85 C ATOM 1837 SD MET A 798 -7.592 23.929 20.594 1.00 37.66 S ATOM 1838 CE MET A 798 -6.499 25.202 21.224 1.00 19.38 C ATOM 1839 H MET A 798 -5.922 19.597 20.680 1.00 0.00 H ATOM 1840 N THR A 799 -2.275 21.880 21.274 1.00 13.55 N ATOM 1841 CA THR A 799 -1.153 21.911 22.202 1.00 11.05 C ATOM 1842 C THR A 799 -1.584 22.615 23.489 1.00 24.45 C ATOM 1843 O THR A 799 -2.249 23.650 23.428 1.00 31.08 O ATOM 1844 CB THR A 799 0.064 22.634 21.598 1.00 26.55 C ATOM 1845 OG1 THR A 799 0.372 22.075 20.314 1.00 24.77 O ATOM 1846 CG2 THR A 799 1.276 22.501 22.513 1.00 24.12 C ATOM 1847 HG1 THR A 799 1.155 22.544 19.931 1.00 0.00 H ATOM 1848 H THR A 799 -2.276 22.520 20.455 1.00 0.00 H ATOM 1849 N PRO A 800 -1.217 22.058 24.658 1.00 28.95 N ATOM 1850 CA PRO A 800 -1.617 22.702 25.916 1.00 30.59 C ATOM 1851 C PRO A 800 -1.075 24.120 26.066 1.00 26.24 C ATOM 1852 O PRO A 800 0.031 24.409 25.609 1.00 32.35 O ATOM 1853 CB PRO A 800 -1.018 21.785 26.990 1.00 30.74 C ATOM 1854 CG PRO A 800 -0.828 20.478 26.323 1.00 45.02 C ATOM 1855 CD PRO A 800 -0.503 20.790 24.898 1.00 25.05 C ATOM 1856 N TYR A 801 -1.862 24.988 26.695 1.00 29.51 N ATOM 1857 CA TYR A 801 -1.431 26.341 27.035 1.00 34.94 C ATOM 1858 C TYR A 801 -0.932 27.120 25.820 1.00 35.44 C ATOM 1859 O TYR A 801 0.259 27.414 25.714 1.00 36.98 O ATOM 1860 CB TYR A 801 -0.332 26.290 28.098 1.00 26.93 C ATOM 1861 CG TYR A 801 -0.721 25.530 29.345 1.00 29.63 C ATOM 1862 CD1 TYR A 801 -1.484 26.130 30.339 1.00 30.44 C ATOM 1863 CD2 TYR A 801 -0.316 24.216 29.535 1.00 18.33 C ATOM 1864 CE1 TYR A 801 -1.838 25.439 31.482 1.00 28.22 C ATOM 1865 CE2 TYR A 801 -0.664 23.518 30.675 1.00 25.55 C ATOM 1866 CZ TYR A 801 -1.424 24.134 31.646 1.00 17.29 C ATOM 1867 OH TYR A 801 -1.774 23.441 32.782 1.00 28.31 O ATOM 1868 HH TYR A 801 -0.955 23.158 33.260 1.00 0.00 H ATOM 1869 H TYR A 801 -2.824 24.691 26.955 1.00 0.00 H ATOM 1870 N PRO A 802 -1.844 27.456 24.896 1.00 25.70 N ATOM 1871 CA PRO A 802 -1.470 28.256 23.725 1.00 41.39 C ATOM 1872 C PRO A 802 -1.097 29.686 24.103 1.00 40.93 C ATOM 1873 O PRO A 802 -1.843 30.342 24.830 1.00 34.96 O ATOM 1874 CB PRO A 802 -2.734 28.225 22.859 1.00 34.22 C ATOM 1875 CG PRO A 802 -3.844 27.975 23.817 1.00 23.78 C ATOM 1876 CD PRO A 802 -3.272 27.097 24.888 1.00 25.98 C ATOM 1877 N GLY A 803 0.049 30.153 23.613 1.00 35.27 N ATOM 1878 CA GLY A 803 0.529 31.491 23.912 1.00 27.28 C ATOM 1879 C GLY A 803 1.563 31.505 25.023 1.00 31.82 C ATOM 1880 O GLY A 803 2.306 32.476 25.174 1.00 50.96 O ATOM 1881 H GLY A 803 0.619 29.540 22.996 1.00 0.00 H ATOM 1882 N VAL A 804 1.611 30.425 25.799 1.00 32.35 N ATOM 1883 CA VAL A 804 2.553 30.304 26.907 1.00 43.75 C ATOM 1884 C VAL A 804 3.707 29.377 26.533 1.00 37.92 C ATOM 1885 O VAL A 804 3.503 28.355 25.877 1.00 44.48 O ATOM 1886 CB VAL A 804 1.863 29.768 28.176 1.00 29.46 C ATOM 1887 CG1 VAL A 804 2.812 29.823 29.364 1.00 37.08 C ATOM 1888 CG2 VAL A 804 0.599 30.565 28.471 1.00 28.88 C ATOM 1889 H VAL A 804 0.955 29.641 25.609 1.00 0.00 H ATOM 1890 N GLN A 805 4.914 29.740 26.957 1.00 48.25 N ATOM 1891 CA GLN A 805 6.104 28.944 26.672 1.00 54.86 C ATOM 1892 C GLN A 805 6.399 27.979 27.817 1.00 51.93 C ATOM 1893 O GLN A 805 5.881 28.135 28.923 1.00 53.51 O ATOM 1894 CB GLN A 805 7.309 29.855 26.424 1.00 60.62 C ATOM 1895 CG GLN A 805 7.090 30.886 25.325 1.00 44.82 C ATOM 1896 CD GLN A 805 6.780 30.255 23.980 1.00 43.69 C ATOM 1897 OE1 GLN A 805 7.162 29.116 23.712 1.00 68.02 O ATOM 1898 NE2 GLN A 805 6.081 30.996 23.127 1.00 54.13 N ATOM 1899 HE22 GLN A 805 5.779 31.954 23.397 1.00 0.00 H ATOM 1900 HE21 GLN A 805 5.836 30.618 22.190 1.00 0.00 H ATOM 1901 H GLN A 805 5.013 30.617 27.508 1.00 0.00 H ATOM 1902 N ASN A 806 7.239 26.985 27.547 1.00 50.00 N ATOM 1903 CA ASN A 806 7.555 25.953 28.530 1.00 47.48 C ATOM 1904 C ASN A 806 8.303 26.492 29.747 1.00 39.73 C ATOM 1905 O ASN A 806 8.309 25.862 30.805 1.00 56.73 O ATOM 1906 CB ASN A 806 8.380 24.842 27.877 1.00 55.99 C ATOM 1907 CG ASN A 806 7.599 24.074 26.827 1.00 46.04 C ATOM 1908 OD1 ASN A 806 6.385 23.908 26.937 1.00 52.27 O ATOM 1909 ND2 ASN A 806 8.296 23.598 25.802 1.00 47.78 N ATOM 1910 HD22 ASN A 806 9.322 23.762 25.750 1.00 0.00 H ATOM 1911 HD21 ASN A 806 7.816 23.061 25.052 1.00 0.00 H ATOM 1912 H ASN A 806 7.684 26.941 26.608 1.00 0.00 H ATOM 1913 N HIS A 807 8.931 27.655 29.596 1.00 41.58 N ATOM 1914 CA HIS A 807 9.720 28.246 30.675 1.00 49.59 C ATOM 1915 C HIS A 807 8.914 29.253 31.496 1.00 41.78 C ATOM 1916 O HIS A 807 9.435 29.848 32.440 1.00 55.16 O ATOM 1917 CB HIS A 807 10.971 28.923 30.107 1.00 57.62 C ATOM 1918 CG HIS A 807 10.677 30.036 29.150 1.00 54.93 C ATOM 1919 ND1 HIS A 807 10.565 29.838 27.790 1.00 67.46 N ATOM 1920 CD2 HIS A 807 10.476 31.359 29.355 1.00 43.74 C ATOM 1921 CE1 HIS A 807 10.305 30.991 27.200 1.00 63.31 C ATOM 1922 NE2 HIS A 807 10.245 31.930 28.127 1.00 36.00 N ATOM 1923 H HIS A 807 8.859 28.156 28.688 1.00 0.00 H ATOM 1924 N GLU A 808 7.646 29.437 31.134 1.00 47.65 N ATOM 1925 CA GLU A 808 6.758 30.353 31.847 1.00 54.25 C ATOM 1926 C GLU A 808 5.648 29.602 32.578 1.00 56.74 C ATOM 1927 O GLU A 808 4.736 30.214 33.134 1.00 58.55 O ATOM 1928 CB GLU A 808 6.141 31.363 30.876 1.00 43.59 C ATOM 1929 CG GLU A 808 7.154 32.237 30.156 1.00 58.20 C ATOM 1930 CD GLU A 808 6.500 33.240 29.226 1.00 59.75 C ATOM 1931 OE1 GLU A 808 7.223 34.073 28.642 1.00 70.82 O ATOM 1932 OE2 GLU A 808 5.260 33.194 29.079 1.00 58.36 O ATOM 1933 H GLU A 808 7.275 28.911 30.317 1.00 0.00 H ATOM 1934 N MET A 809 5.730 28.275 32.581 1.00 52.79 N ATOM 1935 CA MET A 809 4.656 27.442 33.111 1.00 47.29 C ATOM 1936 C MET A 809 4.547 27.507 34.632 1.00 46.96 C ATOM 1937 O MET A 809 3.451 27.661 35.173 1.00 43.29 O ATOM 1938 CB MET A 809 4.859 25.988 32.679 1.00 46.61 C ATOM 1939 CG MET A 809 4.908 25.785 31.173 1.00 58.18 C ATOM 1940 SD MET A 809 3.547 26.576 30.291 1.00 71.82 S ATOM 1941 CE MET A 809 2.131 25.980 31.214 1.00 15.59 C ATOM 1942 H MET A 809 6.582 27.819 32.196 1.00 0.00 H ATOM 1943 N TYR A 810 5.679 27.384 35.317 1.00 52.00 N ATOM 1944 CA TYR A 810 5.685 27.315 36.775 1.00 55.59 C ATOM 1945 C TYR A 810 5.095 28.571 37.410 1.00 50.55 C ATOM 1946 O TYR A 810 4.425 28.496 38.440 1.00 59.68 O ATOM 1947 CB TYR A 810 7.107 27.090 37.290 1.00 44.75 C ATOM 1948 CG TYR A 810 7.196 26.989 38.795 1.00 52.73 C ATOM 1949 CD1 TYR A 810 6.524 25.988 39.484 1.00 57.13 C ATOM 1950 CD2 TYR A 810 7.958 27.890 39.527 1.00 63.95 C ATOM 1951 CE1 TYR A 810 6.601 25.891 40.860 1.00 62.82 C ATOM 1952 CE2 TYR A 810 8.043 27.800 40.904 1.00 69.75 C ATOM 1953 CZ TYR A 810 7.363 26.799 41.565 1.00 57.78 C ATOM 1954 OH TYR A 810 7.444 26.704 42.935 1.00 68.59 O ATOM 1955 HH TYR A 810 6.901 25.936 43.244 1.00 0.00 H ATOM 1956 H TYR A 810 6.581 27.336 34.802 1.00 0.00 H ATOM 1957 N ASP A 811 5.341 29.721 36.792 1.00 58.00 N ATOM 1958 CA ASP A 811 4.808 30.983 37.291 1.00 54.44 C ATOM 1959 C ASP A 811 3.356 31.173 36.863 1.00 46.99 C ATOM 1960 O ASP A 811 2.579 31.838 37.547 1.00 61.77 O ATOM 1961 CB ASP A 811 5.658 32.155 36.800 1.00 61.60 C ATOM 1962 CG ASP A 811 7.058 32.142 37.381 1.00 67.15 C ATOM 1963 OD1 ASP A 811 7.261 32.741 38.458 1.00 69.50 O ATOM 1964 OD2 ASP A 811 7.955 31.530 36.764 1.00 60.03 O ATOM 1965 H ASP A 811 5.927 29.721 35.933 1.00 0.00 H ATOM 1966 N TYR A 812 2.994 30.582 35.729 1.00 37.05 N ATOM 1967 CA TYR A 812 1.636 30.689 35.209 1.00 42.30 C ATOM 1968 C TYR A 812 0.661 29.916 36.092 1.00 43.07 C ATOM 1969 O TYR A 812 -0.411 30.414 36.433 1.00 38.78 O ATOM 1970 CB TYR A 812 1.575 30.174 33.769 1.00 38.88 C ATOM 1971 CG TYR A 812 0.290 30.500 33.045 1.00 40.13 C ATOM 1972 CD1 TYR A 812 0.090 31.752 32.480 1.00 40.44 C ATOM 1973 CD2 TYR A 812 -0.718 29.553 32.915 1.00 37.23 C ATOM 1974 CE1 TYR A 812 -1.080 32.056 31.813 1.00 45.60 C ATOM 1975 CE2 TYR A 812 -1.893 29.849 32.248 1.00 34.98 C ATOM 1976 CZ TYR A 812 -2.068 31.102 31.699 1.00 39.69 C ATOM 1977 OH TYR A 812 -3.234 31.403 31.034 1.00 25.49 O ATOM 1978 HH TYR A 812 -3.194 32.336 30.706 1.00 0.00 H ATOM 1979 H TYR A 812 3.697 30.029 35.199 1.00 0.00 H ATOM 1980 N LEU A 813 1.046 28.699 36.465 1.00 37.46 N ATOM 1981 CA LEU A 813 0.200 27.844 37.289 1.00 31.22 C ATOM 1982 C LEU A 813 0.178 28.311 38.742 1.00 36.93 C ATOM 1983 O LEU A 813 -0.844 28.208 39.420 1.00 37.74 O ATOM 1984 CB LEU A 813 0.682 26.393 37.217 1.00 32.80 C ATOM 1985 CG LEU A 813 0.701 25.759 35.824 1.00 32.30 C ATOM 1986 CD1 LEU A 813 1.371 24.395 35.873 1.00 14.94 C ATOM 1987 CD2 LEU A 813 -0.707 25.644 35.260 1.00 29.28 C ATOM 1988 H LEU A 813 1.976 28.347 36.161 1.00 0.00 H ATOM 1989 N LEU A 814 1.311 28.821 39.215 1.00 47.04 N ATOM 1990 CA LEU A 814 1.431 29.272 40.597 1.00 48.57 C ATOM 1991 C LEU A 814 0.529 30.471 40.872 1.00 43.40 C ATOM 1992 O LEU A 814 0.083 30.676 42.001 1.00 40.25 O ATOM 1993 CB LEU A 814 2.886 29.624 40.917 1.00 40.57 C ATOM 1994 CG LEU A 814 3.172 30.169 42.320 1.00 56.42 C ATOM 1995 CD1 LEU A 814 2.728 29.184 43.392 1.00 37.63 C ATOM 1996 CD2 LEU A 814 4.651 30.492 42.471 1.00 46.49 C ATOM 1997 H LEU A 814 2.133 28.900 38.583 1.00 0.00 H ATOM 1998 N HIS A 815 0.263 31.260 39.835 1.00 41.21 N ATOM 1999 CA HIS A 815 -0.588 32.438 39.968 1.00 35.09 C ATOM 2000 C HIS A 815 -2.073 32.075 39.925 1.00 40.75 C ATOM 2001 O HIS A 815 -2.934 32.941 40.089 1.00 43.75 O ATOM 2002 CB HIS A 815 -0.263 33.453 38.870 1.00 29.95 C ATOM 2003 CG HIS A 815 1.055 34.136 39.052 1.00 51.39 C ATOM 2004 ND1 HIS A 815 2.242 33.443 39.192 1.00 60.57 N ATOM 2005 CD2 HIS A 815 1.382 35.448 39.120 1.00 40.88 C ATOM 2006 CE1 HIS A 815 3.235 34.298 39.337 1.00 51.40 C ATOM 2007 NE2 HIS A 815 2.740 35.525 39.297 1.00 31.81 N ATOM 2008 H HIS A 815 0.672 31.032 38.906 1.00 0.00 H ATOM 2009 N GLY A 816 -2.364 30.796 39.700 1.00 34.70 N ATOM 2010 CA GLY A 816 -3.728 30.295 39.743 1.00 32.91 C ATOM 2011 C GLY A 816 -4.347 30.053 38.378 1.00 28.88 C ATOM 2012 O GLY A 816 -5.483 29.586 38.284 1.00 35.28 O ATOM 2013 H GLY A 816 -1.591 30.134 39.487 1.00 0.00 H ATOM 2014 N HIS A 817 -3.608 30.364 37.318 1.00 31.84 N ATOM 2015 CA HIS A 817 -4.110 30.172 35.960 1.00 33.75 C ATOM 2016 C HIS A 817 -4.040 28.703 35.554 1.00 27.56 C ATOM 2017 O HIS A 817 -3.145 27.974 35.983 1.00 24.46 O ATOM 2018 CB HIS A 817 -3.321 31.028 34.967 1.00 33.56 C ATOM 2019 CG HIS A 817 -3.292 32.484 35.314 1.00 46.16 C ATOM 2020 ND1 HIS A 817 -4.370 33.318 35.109 1.00 29.31 N ATOM 2021 CD2 HIS A 817 -2.315 33.255 35.846 1.00 34.28 C ATOM 2022 CE1 HIS A 817 -4.058 34.541 35.504 1.00 56.74 C ATOM 2023 NE2 HIS A 817 -2.818 34.529 35.954 1.00 53.54 N ATOM 2024 H HIS A 817 -2.653 30.752 37.458 1.00 0.00 H ATOM 2025 N ARG A 818 -4.991 28.280 34.727 1.00 26.00 N ATOM 2026 CA ARG A 818 -5.053 26.902 34.247 1.00 22.52 C ATOM 2027 C ARG A 818 -5.499 26.864 32.788 1.00 23.05 C ATOM 2028 O ARG A 818 -5.705 27.908 32.167 1.00 26.71 O ATOM 2029 CB ARG A 818 -6.006 26.074 35.113 1.00 23.03 C ATOM 2030 CG ARG A 818 -5.537 25.864 36.545 1.00 19.83 C ATOM 2031 CD ARG A 818 -4.289 24.996 36.602 1.00 28.80 C ATOM 2032 NE ARG A 818 -3.941 24.625 37.973 1.00 25.80 N ATOM 2033 CZ ARG A 818 -3.196 25.363 38.791 1.00 36.51 C ATOM 2034 NH1 ARG A 818 -2.706 26.530 38.393 1.00 28.50 N ATOM 2035 NH2 ARG A 818 -2.939 24.931 40.018 1.00 29.83 N ATOM 2036 HE ARG A 818 -4.302 23.719 38.334 1.00 0.00 H ATOM 2037 HH12 ARG A 818 -2.125 27.098 39.042 1.00 0.00 H ATOM 2038 HH11 ARG A 818 -2.903 26.876 37.432 1.00 0.00 H ATOM 2039 HH22 ARG A 818 -2.357 25.506 40.660 1.00 0.00 H ATOM 2040 HH21 ARG A 818 -3.320 24.018 40.338 1.00 0.00 H ATOM 2041 H ARG A 818 -5.717 28.954 34.411 1.00 0.00 H ATOM 2042 N LEU A 819 -5.644 25.659 32.245 1.00 22.63 N ATOM 2043 CA LEU A 819 -6.087 25.488 30.867 1.00 15.05 C ATOM 2044 C LEU A 819 -7.508 26.008 30.684 1.00 21.31 C ATOM 2045 O LEU A 819 -8.395 25.726 31.490 1.00 26.60 O ATOM 2046 CB LEU A 819 -6.009 24.016 30.456 1.00 22.96 C ATOM 2047 CG LEU A 819 -4.604 23.460 30.212 1.00 22.74 C ATOM 2048 CD1 LEU A 819 -4.634 21.943 30.102 1.00 25.85 C ATOM 2049 CD2 LEU A 819 -3.993 24.069 28.959 1.00 22.18 C ATOM 2050 H LEU A 819 -5.436 24.817 32.818 1.00 0.00 H ATOM 2051 N LYS A 820 -7.714 26.771 29.616 1.00 22.45 N ATOM 2052 CA LYS A 820 -9.012 27.373 29.336 1.00 29.88 C ATOM 2053 C LYS A 820 -10.037 26.322 28.925 1.00 34.01 C ATOM 2054 O LYS A 820 -9.679 25.220 28.506 1.00 29.10 O ATOM 2055 CB LYS A 820 -8.879 28.428 28.237 1.00 26.25 C ATOM 2056 CG LYS A 820 -7.919 29.557 28.574 1.00 35.63 C ATOM 2057 CD LYS A 820 -7.680 30.457 27.373 1.00 64.46 C ATOM 2058 CE LYS A 820 -6.710 31.579 27.703 1.00 60.37 C ATOM 2059 NZ LYS A 820 -6.409 32.424 26.514 1.00 68.13 N ATOM 2060 HZ1 LYS A 820 -5.984 31.835 25.770 1.00 0.00 H ATOM 2061 HZ2 LYS A 820 -7.290 32.849 26.160 1.00 0.00 H ATOM 2062 HZ3 LYS A 820 -5.744 33.176 26.784 1.00 0.00 H ATOM 2063 H LYS A 820 -6.926 26.944 28.960 1.00 0.00 H ATOM 2064 N GLN A 821 -11.313 26.674 29.045 1.00 27.61 N ATOM 2065 CA GLN A 821 -12.399 25.784 28.655 1.00 28.60 C ATOM 2066 C GLN A 821 -12.629 25.864 27.145 1.00 31.31 C ATOM 2067 O GLN A 821 -12.735 26.963 26.599 1.00 49.10 O ATOM 2068 CB GLN A 821 -13.681 26.148 29.407 1.00 30.73 C ATOM 2069 CG GLN A 821 -14.871 25.256 29.084 1.00 26.65 C ATOM 2070 CD GLN A 821 -16.120 25.656 29.845 1.00 23.22 C ATOM 2071 OE1 GLN A 821 -16.077 26.519 30.722 1.00 43.15 O ATOM 2072 NE2 GLN A 821 -17.242 25.028 29.513 1.00 30.64 N ATOM 2073 HE22 GLN A 821 -17.232 24.305 28.765 1.00 0.00 H ATOM 2074 HE21 GLN A 821 -18.131 25.259 30.001 1.00 0.00 H ATOM 2075 H GLN A 821 -11.543 27.613 29.429 1.00 0.00 H ATOM 2076 N PRO A 822 -12.699 24.706 26.461 1.00 36.64 N ATOM 2077 CA PRO A 822 -12.969 24.746 25.017 1.00 48.87 C ATOM 2078 C PRO A 822 -14.322 25.370 24.682 1.00 57.84 C ATOM 2079 O PRO A 822 -15.162 25.539 25.565 1.00 62.15 O ATOM 2080 CB PRO A 822 -12.937 23.270 24.606 1.00 43.50 C ATOM 2081 CG PRO A 822 -12.140 22.592 25.659 1.00 41.68 C ATOM 2082 CD PRO A 822 -12.414 23.336 26.927 1.00 34.85 C ATOM 2083 N GLU A 823 -14.524 25.697 23.410 1.00 57.65 N ATOM 2084 CA GLU A 823 -15.736 26.381 22.974 1.00 71.84 C ATOM 2085 C GLU A 823 -16.972 25.494 23.110 1.00 58.61 C ATOM 2086 O GLU A 823 -18.006 25.935 23.612 1.00 68.53 O ATOM 2087 CB GLU A 823 -15.587 26.841 21.521 1.00 68.70 C ATOM 2088 CG GLU A 823 -16.672 27.801 21.048 1.00 68.66 C ATOM 2089 CD GLU A 823 -16.591 29.163 21.714 1.00 84.26 C ATOM 2090 OE1 GLU A 823 -15.596 29.429 22.422 1.00 92.03 O ATOM 2091 OE2 GLU A 823 -17.525 29.971 21.527 1.00 77.86 O ATOM 2092 H GLU A 823 -13.797 25.458 22.705 1.00 0.00 H ATOM 2093 N ASP A 824 -16.856 24.247 22.663 1.00 60.43 N ATOM 2094 CA ASP A 824 -17.991 23.327 22.637 1.00 74.92 C ATOM 2095 C ASP A 824 -18.004 22.371 23.829 1.00 55.14 C ATOM 2096 O ASP A 824 -18.931 21.576 23.981 1.00 58.51 O ATOM 2097 CB ASP A 824 -17.981 22.520 21.336 1.00 77.35 C ATOM 2098 CG ASP A 824 -16.742 21.658 21.194 1.00 88.76 C ATOM 2099 OD1 ASP A 824 -15.679 22.052 21.718 1.00 73.45 O ATOM 2100 OD2 ASP A 824 -16.832 20.585 20.560 1.00 92.21 O ATOM 2101 H ASP A 824 -15.931 23.917 22.322 1.00 0.00 H ATOM 2102 N CYS A 825 -16.978 22.446 24.671 1.00 53.97 N ATOM 2103 CA CYS A 825 -16.883 21.564 25.830 1.00 46.31 C ATOM 2104 C CYS A 825 -17.952 21.902 26.863 1.00 39.97 C ATOM 2105 O CYS A 825 -18.175 23.070 27.183 1.00 44.68 O ATOM 2106 CB CYS A 825 -15.495 21.657 26.465 1.00 45.10 C ATOM 2107 SG CYS A 825 -15.271 20.601 27.915 1.00 47.99 S ATOM 2108 H CYS A 825 -16.229 23.147 24.501 1.00 0.00 H ATOM 2109 N LEU A 826 -18.611 20.870 27.380 1.00 45.79 N ATOM 2110 CA LEU A 826 -19.664 21.049 28.372 1.00 47.48 C ATOM 2111 C LEU A 826 -19.089 21.557 29.689 1.00 43.07 C ATOM 2112 O LEU A 826 -17.951 21.246 30.042 1.00 45.06 O ATOM 2113 CB LEU A 826 -20.414 19.734 28.597 1.00 30.71 C ATOM 2114 CG LEU A 826 -21.050 19.103 27.357 1.00 60.05 C ATOM 2115 CD1 LEU A 826 -21.638 17.741 27.695 1.00 48.27 C ATOM 2116 CD2 LEU A 826 -22.116 20.014 26.767 1.00 64.18 C ATOM 2117 H LEU A 826 -18.369 19.908 27.068 1.00 0.00 H ATOM 2118 N ASP A 827 -19.883 22.340 30.412 1.00 47.20 N ATOM 2119 CA ASP A 827 -19.464 22.880 31.699 1.00 42.15 C ATOM 2120 C ASP A 827 -19.265 21.767 32.723 1.00 35.09 C ATOM 2121 O ASP A 827 -18.517 21.925 33.686 1.00 44.54 O ATOM 2122 CB ASP A 827 -20.492 23.888 32.217 1.00 52.02 C ATOM 2123 CG ASP A 827 -20.662 25.078 31.291 1.00 44.71 C ATOM 2124 OD1 ASP A 827 -19.676 25.466 30.630 1.00 64.65 O ATOM 2125 OD2 ASP A 827 -21.782 25.625 31.226 1.00 77.69 O ATOM 2126 H ASP A 827 -20.829 22.574 30.049 1.00 0.00 H ATOM 2127 N GLU A 828 -19.938 20.641 32.508 1.00 36.90 N ATOM 2128 CA GLU A 828 -19.844 19.506 33.420 1.00 44.26 C ATOM 2129 C GLU A 828 -18.517 18.774 33.250 1.00 43.43 C ATOM 2130 O GLU A 828 -17.979 18.217 34.206 1.00 46.34 O ATOM 2131 CB GLU A 828 -21.007 18.535 33.197 1.00 39.08 C ATOM 2132 CG GLU A 828 -22.368 19.068 33.632 1.00 54.90 C ATOM 2133 CD GLU A 828 -22.885 20.185 32.743 1.00 61.65 C ATOM 2134 OE1 GLU A 828 -23.946 20.758 33.069 1.00 74.70 O ATOM 2135 OE2 GLU A 828 -22.236 20.490 31.721 1.00 56.20 O ATOM 2136 H GLU A 828 -20.547 20.567 31.668 1.00 0.00 H ATOM 2137 N LEU A 829 -17.994 18.779 32.027 1.00 41.51 N ATOM 2138 CA LEU A 829 -16.748 18.084 31.723 1.00 35.73 C ATOM 2139 C LEU A 829 -15.533 18.897 32.157 1.00 28.35 C ATOM 2140 O LEU A 829 -14.526 18.337 32.589 1.00 37.99 O ATOM 2141 CB LEU A 829 -16.664 17.776 30.225 1.00 30.90 C ATOM 2142 CG LEU A 829 -15.378 17.107 29.731 1.00 33.34 C ATOM 2143 CD1 LEU A 829 -15.111 15.806 30.476 1.00 36.86 C ATOM 2144 CD2 LEU A 829 -15.456 16.857 28.232 1.00 9.31 C ATOM 2145 H LEU A 829 -18.486 19.292 31.268 1.00 0.00 H ATOM 2146 N TYR A 830 -15.631 20.217 32.042 1.00 37.16 N ATOM 2147 CA TYR A 830 -14.528 21.097 32.409 1.00 25.71 C ATOM 2148 C TYR A 830 -14.294 21.081 33.917 1.00 23.21 C ATOM 2149 O TYR A 830 -13.163 21.234 34.378 1.00 30.82 O ATOM 2150 CB TYR A 830 -14.798 22.524 31.932 1.00 25.46 C ATOM 2151 CG TYR A 830 -13.686 23.496 32.255 1.00 27.92 C ATOM 2152 CD1 TYR A 830 -12.516 23.515 31.507 1.00 21.52 C ATOM 2153 CD2 TYR A 830 -13.806 24.396 33.305 1.00 26.36 C ATOM 2154 CE1 TYR A 830 -11.497 24.401 31.798 1.00 41.22 C ATOM 2155 CE2 TYR A 830 -12.793 25.286 33.603 1.00 26.32 C ATOM 2156 CZ TYR A 830 -11.641 25.285 32.847 1.00 26.68 C ATOM 2157 OH TYR A 830 -10.630 26.170 33.141 1.00 36.77 O ATOM 2158 HH TYR A 830 -9.882 26.037 32.507 1.00 0.00 H ATOM 2159 H TYR A 830 -16.514 20.632 31.682 1.00 0.00 H ATOM 2160 N GLU A 831 -15.367 20.896 34.679 1.00 25.85 N ATOM 2161 CA GLU A 831 -15.264 20.811 36.131 1.00 39.46 C ATOM 2162 C GLU A 831 -14.457 19.584 36.541 1.00 26.10 C ATOM 2163 O GLU A 831 -13.638 19.648 37.458 1.00 18.08 O ATOM 2164 CB GLU A 831 -16.654 20.766 36.767 1.00 31.95 C ATOM 2165 CG GLU A 831 -17.376 22.103 36.762 1.00 62.33 C ATOM 2166 CD GLU A 831 -18.799 21.997 37.275 1.00 85.86 C ATOM 2167 OE1 GLU A 831 -19.201 20.890 37.689 1.00 83.53 O ATOM 2168 OE2 GLU A 831 -19.514 23.021 37.264 1.00 88.67 O ATOM 2169 H GLU A 831 -16.301 20.810 34.230 1.00 0.00 H ATOM 2170 N ILE A 832 -14.694 18.470 35.857 1.00 25.55 N ATOM 2171 CA ILE A 832 -13.930 17.252 36.092 1.00 19.83 C ATOM 2172 C ILE A 832 -12.484 17.471 35.664 1.00 27.76 C ATOM 2173 O ILE A 832 -11.554 16.971 36.295 1.00 21.75 O ATOM 2174 CB ILE A 832 -14.517 16.048 35.326 1.00 20.38 C ATOM 2175 CG1 ILE A 832 -15.982 15.830 35.715 1.00 32.45 C ATOM 2176 CG2 ILE A 832 -13.702 14.786 35.608 1.00 20.29 C ATOM 2177 CD1 ILE A 832 -16.705 14.810 34.857 1.00 17.50 C ATOM 2178 H ILE A 832 -15.443 18.467 35.136 1.00 0.00 H ATOM 2179 N MET A 833 -12.307 18.226 34.585 1.00 36.49 N ATOM 2180 CA MET A 833 -10.981 18.515 34.057 1.00 22.27 C ATOM 2181 C MET A 833 -10.234 19.483 34.971 1.00 23.90 C ATOM 2182 O MET A 833 -9.015 19.397 35.116 1.00 25.16 O ATOM 2183 CB MET A 833 -11.087 19.100 32.647 1.00 30.67 C ATOM 2184 CG MET A 833 -9.972 18.664 31.711 1.00 33.66 C ATOM 2185 SD MET A 833 -9.969 19.565 30.148 1.00 40.81 S ATOM 2186 CE MET A 833 -11.582 19.137 29.498 1.00 18.17 C ATOM 2187 H MET A 833 -13.140 18.622 34.104 1.00 0.00 H ATOM 2188 N TYR A 834 -10.975 20.400 35.585 1.00 26.13 N ATOM 2189 CA TYR A 834 -10.383 21.416 36.450 1.00 31.94 C ATOM 2190 C TYR A 834 -10.094 20.863 37.843 1.00 20.26 C ATOM 2191 O TYR A 834 -9.215 21.362 38.546 1.00 26.55 O ATOM 2192 CB TYR A 834 -11.306 22.633 36.550 1.00 25.49 C ATOM 2193 CG TYR A 834 -10.655 23.847 37.175 1.00 34.07 C ATOM 2194 CD1 TYR A 834 -9.822 24.671 36.430 1.00 32.60 C ATOM 2195 CD2 TYR A 834 -10.877 24.172 38.506 1.00 43.69 C ATOM 2196 CE1 TYR A 834 -9.225 25.782 36.993 1.00 41.56 C ATOM 2197 CE2 TYR A 834 -10.284 25.283 39.079 1.00 38.55 C ATOM 2198 CZ TYR A 834 -9.459 26.084 38.318 1.00 40.37 C ATOM 2199 OH TYR A 834 -8.867 27.190 38.882 1.00 34.80 O ATOM 2200 HH TYR A 834 -8.312 27.649 38.202 1.00 0.00 H ATOM 2201 H TYR A 834 -12.006 20.393 35.445 1.00 0.00 H ATOM 2202 N SER A 835 -10.836 19.834 38.237 1.00 26.67 N ATOM 2203 CA SER A 835 -10.642 19.208 39.541 1.00 33.78 C ATOM 2204 C SER A 835 -9.295 18.495 39.609 1.00 32.44 C ATOM 2205 O SER A 835 -8.744 18.292 40.691 1.00 36.86 O ATOM 2206 CB SER A 835 -11.774 18.222 39.837 1.00 31.32 C ATOM 2207 OG SER A 835 -11.770 17.148 38.913 1.00 33.94 O ATOM 2208 HG SER A 835 -11.890 17.502 37.996 1.00 0.00 H ATOM 2209 H SER A 835 -11.572 19.466 37.601 1.00 0.00 H ATOM 2210 N CYS A 836 -8.770 18.120 38.447 1.00 27.00 N ATOM 2211 CA CYS A 836 -7.482 17.442 38.364 1.00 30.64 C ATOM 2212 C CYS A 836 -6.315 18.428 38.378 1.00 31.43 C ATOM 2213 O CYS A 836 -5.152 18.020 38.357 1.00 31.20 O ATOM 2214 CB CYS A 836 -7.420 16.586 37.098 1.00 21.11 C ATOM 2215 SG CYS A 836 -8.579 15.196 37.080 1.00 29.85 S ATOM 2216 H CYS A 836 -9.294 18.316 37.570 1.00 0.00 H ATOM 2217 N TRP A 837 -6.631 19.720 38.420 1.00 29.03 N ATOM 2218 CA TRP A 837 -5.618 20.771 38.350 1.00 25.32 C ATOM 2219 C TRP A 837 -5.605 21.644 39.602 1.00 30.33 C ATOM 2220 O TRP A 837 -5.021 22.728 39.608 1.00 35.48 O ATOM 2221 CB TRP A 837 -5.854 21.643 37.116 1.00 22.98 C ATOM 2222 CG TRP A 837 -5.822 20.877 35.831 1.00 17.75 C ATOM 2223 CD1 TRP A 837 -5.096 19.753 35.563 1.00 22.83 C ATOM 2224 CD2 TRP A 837 -6.555 21.176 34.638 1.00 20.71 C ATOM 2225 NE1 TRP A 837 -5.330 19.336 34.275 1.00 22.16 N ATOM 2226 CE2 TRP A 837 -6.221 20.191 33.687 1.00 14.67 C ATOM 2227 CE3 TRP A 837 -7.460 22.180 34.283 1.00 16.77 C ATOM 2228 CZ2 TRP A 837 -6.762 20.184 32.403 1.00 20.72 C ATOM 2229 CZ3 TRP A 837 -7.994 22.170 33.009 1.00 23.05 C ATOM 2230 CH2 TRP A 837 -7.643 21.179 32.084 1.00 27.81 C ATOM 2231 HE1 TRP A 837 -4.900 18.505 33.821 1.00 0.00 H ATOM 2232 H TRP A 837 -7.632 19.991 38.505 1.00 0.00 H ATOM 2233 N ARG A 838 -6.252 21.169 40.661 1.00 20.84 N ATOM 2234 CA ARG A 838 -6.288 21.900 41.921 1.00 33.54 C ATOM 2235 C ARG A 838 -4.894 21.959 42.537 1.00 31.85 C ATOM 2236 O ARG A 838 -4.100 21.030 42.388 1.00 19.74 O ATOM 2237 CB ARG A 838 -7.282 21.251 42.885 1.00 30.58 C ATOM 2238 CG ARG A 838 -8.728 21.374 42.427 1.00 27.79 C ATOM 2239 CD ARG A 838 -9.658 20.459 43.206 1.00 40.53 C ATOM 2240 NE ARG A 838 -11.036 20.565 42.732 1.00 60.22 N ATOM 2241 CZ ARG A 838 -12.025 19.761 43.108 1.00 56.84 C ATOM 2242 NH1 ARG A 838 -11.800 18.776 43.967 1.00 48.43 N ATOM 2243 NH2 ARG A 838 -13.245 19.940 42.620 1.00 57.61 N ATOM 2244 HE ARG A 838 -11.258 21.322 42.054 1.00 0.00 H ATOM 2245 HH12 ARG A 838 -12.579 18.151 44.257 1.00 0.00 H ATOM 2246 HH11 ARG A 838 -10.845 18.629 44.351 1.00 0.00 H ATOM 2247 HH22 ARG A 838 -14.020 19.311 42.913 1.00 0.00 H ATOM 2248 HH21 ARG A 838 -13.427 20.709 41.944 1.00 0.00 H ATOM 2249 H ARG A 838 -6.744 20.255 40.589 1.00 0.00 H ATOM 2250 N THR A 839 -4.603 23.062 43.220 1.00 29.01 N ATOM 2251 CA THR A 839 -3.271 23.310 43.765 1.00 37.84 C ATOM 2252 C THR A 839 -2.836 22.213 44.731 1.00 45.42 C ATOM 2253 O THR A 839 -1.694 21.756 44.686 1.00 34.47 O ATOM 2254 CB THR A 839 -3.213 24.667 44.493 1.00 51.98 C ATOM 2255 OG1 THR A 839 -3.789 25.684 43.664 1.00 32.72 O ATOM 2256 CG2 THR A 839 -1.774 25.041 44.823 1.00 37.75 C ATOM 2257 HG1 THR A 839 -3.750 26.554 44.135 1.00 0.00 H ATOM 2258 H THR A 839 -5.348 23.771 43.371 1.00 0.00 H ATOM 2259 N ASP A 840 -3.750 21.794 45.600 1.00 44.72 N ATOM 2260 CA ASP A 840 -3.462 20.750 46.577 1.00 31.99 C ATOM 2261 C ASP A 840 -3.748 19.373 45.974 1.00 40.04 C ATOM 2262 O ASP A 840 -4.878 19.106 45.565 1.00 42.85 O ATOM 2263 CB ASP A 840 -4.297 20.957 47.843 1.00 31.49 C ATOM 2264 CG ASP A 840 -3.758 20.183 49.032 1.00 39.91 C ATOM 2265 OD1 ASP A 840 -3.144 19.115 48.827 1.00 32.41 O ATOM 2266 OD2 ASP A 840 -3.947 20.646 50.177 1.00 62.35 O ATOM 2267 H ASP A 840 -4.697 22.223 45.583 1.00 0.00 H ATOM 2268 N PRO A 841 -2.727 18.495 45.911 1.00 35.68 N ATOM 2269 CA PRO A 841 -2.956 17.147 45.373 1.00 34.15 C ATOM 2270 C PRO A 841 -4.016 16.361 46.142 1.00 40.74 C ATOM 2271 O PRO A 841 -4.686 15.505 45.563 1.00 37.80 O ATOM 2272 CB PRO A 841 -1.585 16.475 45.511 1.00 26.59 C ATOM 2273 CG PRO A 841 -0.613 17.593 45.517 1.00 36.75 C ATOM 2274 CD PRO A 841 -1.302 18.724 46.215 1.00 28.62 C ATOM 2275 N LEU A 842 -4.160 16.652 47.430 1.00 40.72 N ATOM 2276 CA LEU A 842 -5.114 15.941 48.273 1.00 41.00 C ATOM 2277 C LEU A 842 -6.554 16.274 47.888 1.00 42.98 C ATOM 2278 O LEU A 842 -7.467 15.481 48.123 1.00 30.30 O ATOM 2279 CB LEU A 842 -4.874 16.276 49.746 1.00 40.18 C ATOM 2280 CG LEU A 842 -3.449 16.048 50.259 1.00 59.00 C ATOM 2281 CD1 LEU A 842 -3.348 16.418 51.731 1.00 56.47 C ATOM 2282 CD2 LEU A 842 -3.005 14.608 50.037 1.00 21.61 C ATOM 2283 H LEU A 842 -3.578 17.406 47.848 1.00 0.00 H ATOM 2284 N ASP A 843 -6.752 17.448 47.297 1.00 38.75 N ATOM 2285 CA ASP A 843 -8.077 17.875 46.862 1.00 48.53 C ATOM 2286 C ASP A 843 -8.442 17.265 45.511 1.00 32.51 C ATOM 2287 O ASP A 843 -9.611 17.259 45.122 1.00 27.85 O ATOM 2288 CB ASP A 843 -8.149 19.402 46.779 1.00 42.39 C ATOM 2289 CG ASP A 843 -7.984 20.071 48.131 1.00 48.38 C ATOM 2290 OD1 ASP A 843 -8.229 19.408 49.161 1.00 61.53 O ATOM 2291 OD2 ASP A 843 -7.613 21.263 48.163 1.00 49.21 O ATOM 2292 H ASP A 843 -5.940 18.079 47.141 1.00 0.00 H ATOM 2293 N ARG A 844 -7.442 16.757 44.798 1.00 23.48 N ATOM 2294 CA ARG A 844 -7.668 16.148 43.492 1.00 25.98 C ATOM 2295 C ARG A 844 -8.303 14.767 43.649 1.00 37.22 C ATOM 2296 O ARG A 844 -7.985 14.045 44.594 1.00 44.85 O ATOM 2297 CB ARG A 844 -6.356 16.037 42.716 1.00 25.22 C ATOM 2298 CG ARG A 844 -5.607 17.351 42.570 1.00 40.65 C ATOM 2299 CD ARG A 844 -4.243 17.148 41.931 1.00 29.34 C ATOM 2300 NE ARG A 844 -3.397 18.331 42.063 1.00 32.84 N ATOM 2301 CZ ARG A 844 -2.101 18.365 41.769 1.00 31.00 C ATOM 2302 NH1 ARG A 844 -1.486 17.277 41.323 1.00 34.82 N ATOM 2303 NH2 ARG A 844 -1.416 19.489 41.923 1.00 39.76 N ATOM 2304 HE ARG A 844 -3.838 19.206 42.411 1.00 0.00 H ATOM 2305 HH12 ARG A 844 -0.472 17.310 41.095 1.00 0.00 H ATOM 2306 HH11 ARG A 844 -2.018 16.392 41.202 1.00 0.00 H ATOM 2307 HH22 ARG A 844 -0.402 19.516 41.693 1.00 0.00 H ATOM 2308 HH21 ARG A 844 -1.892 20.344 42.274 1.00 0.00 H ATOM 2309 H ARG A 844 -6.476 16.795 45.180 1.00 0.00 H ATOM 2310 N PRO A 845 -9.204 14.393 42.724 1.00 39.85 N ATOM 2311 CA PRO A 845 -9.861 13.084 42.807 1.00 27.92 C ATOM 2312 C PRO A 845 -9.000 11.952 42.253 1.00 20.09 C ATOM 2313 O PRO A 845 -8.091 12.202 41.461 1.00 22.89 O ATOM 2314 CB PRO A 845 -11.115 13.277 41.955 1.00 28.22 C ATOM 2315 CG PRO A 845 -10.691 14.252 40.914 1.00 42.42 C ATOM 2316 CD PRO A 845 -9.702 15.179 41.579 1.00 37.97 C ATOM 2317 N THR A 846 -9.289 10.723 42.669 1.00 28.64 N ATOM 2318 CA THR A 846 -8.577 9.554 42.165 1.00 28.94 C ATOM 2319 C THR A 846 -9.158 9.123 40.823 1.00 26.00 C ATOM 2320 O THR A 846 -10.218 9.597 40.416 1.00 23.30 O ATOM 2321 CB THR A 846 -8.650 8.374 43.152 1.00 33.43 C ATOM 2322 OG1 THR A 846 -10.019 8.001 43.358 1.00 27.69 O ATOM 2323 CG2 THR A 846 -8.022 8.751 44.485 1.00 12.70 C ATOM 2324 HG1 THR A 846 -10.061 7.242 43.993 1.00 0.00 H ATOM 2325 H THR A 846 -10.043 10.591 43.373 1.00 0.00 H ATOM 2326 N PHE A 847 -8.459 8.223 40.138 1.00 23.07 N ATOM 2327 CA PHE A 847 -8.916 7.727 38.845 1.00 23.79 C ATOM 2328 C PHE A 847 -10.204 6.922 38.987 1.00 28.66 C ATOM 2329 O PHE A 847 -11.005 6.849 38.056 1.00 29.99 O ATOM 2330 CB PHE A 847 -7.834 6.870 38.185 1.00 21.41 C ATOM 2331 CG PHE A 847 -6.642 7.655 37.720 1.00 16.64 C ATOM 2332 CD1 PHE A 847 -6.675 8.342 36.518 1.00 33.22 C ATOM 2333 CD2 PHE A 847 -5.487 7.703 38.482 1.00 17.96 C ATOM 2334 CE1 PHE A 847 -5.579 9.064 36.085 1.00 33.51 C ATOM 2335 CE2 PHE A 847 -4.388 8.424 38.055 1.00 27.18 C ATOM 2336 CZ PHE A 847 -4.434 9.105 36.855 1.00 32.06 C ATOM 2337 H PHE A 847 -7.566 7.865 40.533 1.00 0.00 H ATOM 2338 N SER A 848 -10.396 6.319 40.156 1.00 29.67 N ATOM 2339 CA SER A 848 -11.600 5.543 40.427 1.00 28.47 C ATOM 2340 C SER A 848 -12.831 6.444 40.421 1.00 32.72 C ATOM 2341 O SER A 848 -13.907 6.040 39.980 1.00 29.74 O ATOM 2342 CB SER A 848 -11.480 4.820 41.769 1.00 23.64 C ATOM 2343 OG SER A 848 -12.611 4.002 42.011 1.00 30.38 O ATOM 2344 HG SER A 848 -12.687 3.326 41.292 1.00 0.00 H ATOM 2345 H SER A 848 -9.669 6.403 40.895 1.00 0.00 H ATOM 2346 N VAL A 849 -12.662 7.667 40.914 1.00 29.71 N ATOM 2347 CA VAL A 849 -13.736 8.652 40.915 1.00 23.94 C ATOM 2348 C VAL A 849 -13.943 9.202 39.508 1.00 26.32 C ATOM 2349 O VAL A 849 -15.070 9.275 39.019 1.00 36.57 O ATOM 2350 CB VAL A 849 -13.435 9.814 41.884 1.00 31.60 C ATOM 2351 CG1 VAL A 849 -14.551 10.853 41.853 1.00 31.27 C ATOM 2352 CG2 VAL A 849 -13.240 9.289 43.298 1.00 22.24 C ATOM 2353 H VAL A 849 -11.737 7.928 41.310 1.00 0.00 H ATOM 2354 N LEU A 850 -12.845 9.587 38.866 1.00 22.72 N ATOM 2355 CA LEU A 850 -12.889 10.144 37.519 1.00 31.92 C ATOM 2356 C LEU A 850 -13.466 9.147 36.519 1.00 26.86 C ATOM 2357 O LEU A 850 -14.157 9.532 35.577 1.00 32.13 O ATOM 2358 CB LEU A 850 -11.488 10.572 37.077 1.00 24.73 C ATOM 2359 CG LEU A 850 -10.861 11.716 37.876 1.00 26.98 C ATOM 2360 CD1 LEU A 850 -9.377 11.827 37.573 1.00 24.70 C ATOM 2361 CD2 LEU A 850 -11.569 13.029 37.575 1.00 27.84 C ATOM 2362 H LEU A 850 -11.924 9.488 39.340 1.00 0.00 H ATOM 2363 N ARG A 851 -13.176 7.868 36.728 1.00 33.71 N ATOM 2364 CA ARG A 851 -13.670 6.819 35.845 1.00 31.92 C ATOM 2365 C ARG A 851 -15.192 6.740 35.889 1.00 26.11 C ATOM 2366 O ARG A 851 -15.842 6.584 34.856 1.00 27.75 O ATOM 2367 CB ARG A 851 -13.057 5.468 36.227 1.00 25.72 C ATOM 2368 CG ARG A 851 -13.555 4.292 35.396 1.00 25.96 C ATOM 2369 CD ARG A 851 -14.687 3.537 36.081 1.00 28.94 C ATOM 2370 NE ARG A 851 -14.268 2.953 37.352 1.00 29.68 N ATOM 2371 CZ ARG A 851 -15.071 2.277 38.168 1.00 31.67 C ATOM 2372 NH1 ARG A 851 -16.347 2.096 37.855 1.00 51.59 N ATOM 2373 NH2 ARG A 851 -14.598 1.782 39.303 1.00 44.40 N ATOM 2374 HE ARG A 851 -13.275 3.074 37.638 1.00 0.00 H ATOM 2375 HH12 ARG A 851 -16.970 1.566 38.498 1.00 0.00 H ATOM 2376 HH11 ARG A 851 -16.725 2.484 36.967 1.00 0.00 H ATOM 2377 HH22 ARG A 851 -15.226 1.253 39.941 1.00 0.00 H ATOM 2378 HH21 ARG A 851 -13.599 1.922 39.555 1.00 0.00 H ATOM 2379 H ARG A 851 -12.582 7.609 37.541 1.00 0.00 H ATOM 2380 N LEU A 852 -15.754 6.854 37.088 1.00 21.90 N ATOM 2381 CA LEU A 852 -17.197 6.741 37.270 1.00 29.99 C ATOM 2382 C LEU A 852 -17.915 8.029 36.876 1.00 26.39 C ATOM 2383 O LEU A 852 -19.051 7.993 36.401 1.00 20.98 O ATOM 2384 CB LEU A 852 -17.521 6.382 38.722 1.00 28.48 C ATOM 2385 CG LEU A 852 -19.002 6.223 39.072 1.00 37.43 C ATOM 2386 CD1 LEU A 852 -19.654 5.148 38.214 1.00 21.70 C ATOM 2387 CD2 LEU A 852 -19.164 5.900 40.550 1.00 38.84 C ATOM 2388 H LEU A 852 -15.150 7.028 37.917 1.00 0.00 H ATOM 2389 N GLN A 853 -17.253 9.164 37.079 1.00 35.62 N ATOM 2390 CA GLN A 853 -17.821 10.457 36.709 1.00 26.52 C ATOM 2391 C GLN A 853 -18.015 10.555 35.200 1.00 23.86 C ATOM 2392 O GLN A 853 -19.047 11.029 34.725 1.00 31.21 O ATOM 2393 CB GLN A 853 -16.926 11.599 37.194 1.00 29.36 C ATOM 2394 CG GLN A 853 -17.031 11.887 38.683 1.00 34.46 C ATOM 2395 CD GLN A 853 -16.103 13.001 39.127 1.00 29.34 C ATOM 2396 OE1 GLN A 853 -15.224 13.428 38.379 1.00 20.77 O ATOM 2397 NE2 GLN A 853 -16.298 13.481 40.350 1.00 19.67 N ATOM 2398 HE22 GLN A 853 -17.054 13.090 40.948 1.00 0.00 H ATOM 2399 HE21 GLN A 853 -15.695 14.248 40.710 1.00 0.00 H ATOM 2400 H GLN A 853 -16.308 9.130 37.512 1.00 0.00 H ATOM 2401 N LEU A 854 -17.013 10.104 34.452 1.00 33.69 N ATOM 2402 CA LEU A 854 -17.060 10.144 32.996 1.00 22.89 C ATOM 2403 C LEU A 854 -18.075 9.145 32.452 1.00 27.63 C ATOM 2404 O LEU A 854 -18.753 9.414 31.460 1.00 24.97 O ATOM 2405 CB LEU A 854 -15.675 9.860 32.415 1.00 25.21 C ATOM 2406 CG LEU A 854 -14.602 10.893 32.766 1.00 29.88 C ATOM 2407 CD1 LEU A 854 -13.215 10.321 32.528 1.00 26.72 C ATOM 2408 CD2 LEU A 854 -14.803 12.171 31.966 1.00 22.24 C ATOM 2409 H LEU A 854 -16.171 9.711 34.919 1.00 0.00 H ATOM 2410 N GLU A 855 -18.174 7.991 33.105 1.00 30.01 N ATOM 2411 CA GLU A 855 -19.141 6.973 32.715 1.00 30.69 C ATOM 2412 C GLU A 855 -20.565 7.459 32.961 1.00 36.86 C ATOM 2413 O GLU A 855 -21.474 7.161 32.188 1.00 38.31 O ATOM 2414 CB GLU A 855 -18.892 5.671 33.479 1.00 23.20 C ATOM 2415 CG GLU A 855 -17.731 4.849 32.940 1.00 24.45 C ATOM 2416 CD GLU A 855 -17.469 3.601 33.761 1.00 52.43 C ATOM 2417 OE1 GLU A 855 -18.168 3.396 34.776 1.00 56.29 O ATOM 2418 OE2 GLU A 855 -16.564 2.824 33.390 1.00 53.01 O ATOM 2419 H GLU A 855 -17.546 7.810 33.914 1.00 0.00 H ATOM 2420 N LYS A 856 -20.751 8.210 34.042 1.00 36.08 N ATOM 2421 CA LYS A 856 -22.065 8.743 34.382 1.00 36.04 C ATOM 2422 C LYS A 856 -22.466 9.835 33.395 1.00 37.94 C ATOM 2423 O LYS A 856 -23.624 9.920 32.986 1.00 44.14 O ATOM 2424 CB LYS A 856 -22.070 9.293 35.810 1.00 35.99 C ATOM 2425 CG LYS A 856 -23.454 9.635 36.346 1.00 47.05 C ATOM 2426 CD LYS A 856 -24.300 8.387 36.553 1.00 64.10 C ATOM 2427 CE LYS A 856 -25.655 8.724 37.152 1.00 58.62 C ATOM 2428 NZ LYS A 856 -26.489 7.507 37.357 1.00 70.34 N ATOM 2429 HZ1 LYS A 856 -26.644 7.036 36.443 1.00 0.00 H ATOM 2430 HZ2 LYS A 856 -25.998 6.857 38.004 1.00 0.00 H ATOM 2431 HZ3 LYS A 856 -27.405 7.781 37.767 1.00 0.00 H ATOM 2432 H LYS A 856 -19.941 8.422 34.659 1.00 0.00 H ATOM 2433 N LEU A 857 -21.501 10.668 33.019 1.00 44.75 N ATOM 2434 CA LEU A 857 -21.742 11.739 32.059 1.00 38.89 C ATOM 2435 C LEU A 857 -21.930 11.172 30.656 1.00 29.70 C ATOM 2436 O LEU A 857 -22.654 11.742 29.839 1.00 45.44 O ATOM 2437 CB LEU A 857 -20.586 12.742 32.072 1.00 21.15 C ATOM 2438 CG LEU A 857 -20.722 13.950 31.141 1.00 40.40 C ATOM 2439 CD1 LEU A 857 -21.892 14.831 31.557 1.00 31.09 C ATOM 2440 CD2 LEU A 857 -19.430 14.750 31.111 1.00 39.20 C ATOM 2441 H LEU A 857 -20.548 10.553 33.420 1.00 0.00 H ATOM 2442 N LEU A 858 -21.275 10.049 30.382 1.00 31.11 N ATOM 2443 CA LEU A 858 -21.367 9.405 29.077 1.00 38.59 C ATOM 2444 C LEU A 858 -22.749 8.800 28.855 1.00 38.83 C ATOM 2445 O LEU A 858 -23.326 8.926 27.775 1.00 41.72 O ATOM 2446 CB LEU A 858 -20.292 8.323 28.940 1.00 29.30 C ATOM 2447 CG LEU A 858 -20.342 7.462 27.674 1.00 38.09 C ATOM 2448 CD1 LEU A 858 -20.257 8.322 26.421 1.00 28.50 C ATOM 2449 CD2 LEU A 858 -19.224 6.431 27.693 1.00 18.98 C ATOM 2450 H LEU A 858 -20.681 9.618 31.118 1.00 0.00 H ATOM 2451 N GLU A 859 -23.275 8.143 29.884 1.00 32.84 N ATOM 2452 CA GLU A 859 -24.571 7.481 29.788 1.00 49.07 C ATOM 2453 C GLU A 859 -25.720 8.485 29.753 1.00 43.43 C ATOM 2454 O GLU A 859 -26.804 8.179 29.257 1.00 58.60 O ATOM 2455 CB GLU A 859 -24.758 6.514 30.959 1.00 50.26 C ATOM 2456 CG GLU A 859 -23.844 5.296 30.912 1.00 54.67 C ATOM 2457 CD GLU A 859 -24.160 4.361 29.757 1.00 52.24 C ATOM 2458 OE1 GLU A 859 -25.235 4.511 29.139 1.00 60.54 O ATOM 2459 OE2 GLU A 859 -23.329 3.474 29.468 1.00 49.71 O ATOM 2460 H GLU A 859 -22.749 8.100 30.780 1.00 0.00 H ATOM 2461 N SER A 860 -25.482 9.681 30.281 1.00 38.80 N ATOM 2462 CA SER A 860 -26.500 10.726 30.286 1.00 48.70 C ATOM 2463 C SER A 860 -26.755 11.242 28.872 1.00 52.87 C ATOM 2464 O SER A 860 -27.806 11.821 28.594 1.00 57.72 O ATOM 2465 CB SER A 860 -26.083 11.880 31.199 1.00 53.21 C ATOM 2466 OG SER A 860 -24.947 12.552 30.687 1.00 52.91 O ATOM 2467 HG SER A 860 -24.192 11.915 30.617 1.00 0.00 H ATOM 2468 H SER A 860 -24.550 9.876 30.700 1.00 0.00 H ATOM 2469 N LEU A 861 -25.788 11.027 27.985 1.00 55.69 N ATOM 2470 CA LEU A 861 -25.901 11.457 26.595 1.00 54.93 C ATOM 2471 C LEU A 861 -26.547 10.368 25.740 1.00 51.20 C ATOM 2472 O LEU A 861 -26.499 9.191 26.096 1.00 68.39 O ATOM 2473 CB LEU A 861 -24.523 11.812 26.033 1.00 40.39 C ATOM 2474 CG LEU A 861 -23.759 12.922 26.757 1.00 36.59 C ATOM 2475 CD1 LEU A 861 -22.352 13.048 26.193 1.00 39.78 C ATOM 2476 CD2 LEU A 861 -24.497 14.248 26.656 1.00 47.66 C ATOM 2477 H LEU A 861 -24.924 10.537 28.292 1.00 0.00 H ATOM 2478 N PRO A 862 -27.156 10.758 24.608 1.00 64.39 N ATOM 2479 CA PRO A 862 -27.748 9.779 23.691 1.00 61.03 C ATOM 2480 C PRO A 862 -26.692 9.082 22.836 1.00 77.84 C ATOM 2481 O PRO A 862 -25.499 9.283 23.058 1.00 84.18 O ATOM 2482 CB PRO A 862 -28.681 10.631 22.829 1.00 56.18 C ATOM 2483 CG PRO A 862 -28.033 11.968 22.804 1.00 66.82 C ATOM 2484 CD PRO A 862 -27.379 12.142 24.149 1.00 51.41 C ATOM 2485 N ASP A 863 -27.128 8.272 21.877 1.00 73.16 N ATOM 2486 CA ASP A 863 -26.205 7.578 20.987 1.00 70.42 C ATOM 2487 C ASP A 863 -25.686 8.515 19.901 1.00 62.45 C ATOM 2488 O ASP A 863 -26.292 8.647 18.838 1.00 58.92 O ATOM 2489 CB ASP A 863 -26.885 6.362 20.355 1.00 77.01 C ATOM 2490 CG ASP A 863 -27.336 5.347 21.385 1.00 96.30 C ATOM 2491 OD1 ASP A 863 -26.680 5.238 22.443 1.00 88.17 O ATOM 2492 OD2 ASP A 863 -28.348 4.658 21.140 1.00104.43 O ATOM 2493 H ASP A 863 -28.151 8.130 21.759 1.00 0.00 H TER 2494 ASP A 863 HETATM 2495 O HOH 1 0.508 21.416 33.203 1.00 19.99 O HETATM 2496 O HOH 2 -6.402 22.962 46.589 1.00 19.29 O HETATM 2497 O HOH 3 -13.088 20.669 19.156 1.00 28.68 O HETATM 2498 O HOH 4 -11.022 10.922 45.361 1.00 13.07 O HETATM 2499 O HOH 5 -12.552 -2.747 34.099 1.00 27.36 O HETATM 2500 O HOH 6 -2.137 -5.184 24.981 1.00 31.62 O HETATM 2501 O HOH 7 3.534 34.330 24.363 1.00 31.73 O HETATM 2502 C01 UNN A 8 4.553 3.305 23.614 1.00 -0.07 C HETATM 2503 C02 UNN A 8 4.642 2.313 22.450 1.00 -0.05 C HETATM 2504 C03 UNN A 8 3.280 1.987 21.865 1.00 -0.03 C HETATM 2505 C04 UNN A 8 3.084 0.477 21.582 1.00 0.03 C HETATM 2506 N05 UNN A 8 3.597 0.068 20.302 1.00 -0.29 N HETATM 2507 C06 UNN A 8 3.351 0.857 19.092 1.00 0.18 C HETATM 2508 N07 UNN A 8 2.291 0.556 18.307 1.00 -0.27 N HETATM 2509 C08 UNN A 8 2.050 1.288 17.177 1.00 0.02 C HETATM 2510 C09 UNN A 8 2.892 2.355 16.824 1.00 0.10 C HETATM 2511 C10 UNN A 8 2.610 3.175 15.548 1.00 0.20 C HETATM 2512 O11 UNN A 8 3.171 4.237 15.369 1.00 -0.39 O HETATM 2513 N12 UNN A 8 1.665 2.649 14.568 1.00 -0.28 N HETATM 2514 C13 UNN A 8 1.349 3.355 13.359 1.00 0.06 C HETATM 2515 C14 UNN A 8 1.792 2.522 12.133 1.00 -0.02 C HETATM 2516 C15 UNN A 8 3.099 2.113 12.025 1.00 -0.06 C HETATM 2517 C16 UNN A 8 3.507 1.363 10.921 1.00 -0.04 C HETATM 2518 C17 UNN A 8 2.589 1.026 9.936 1.00 0.10 C HETATM 2519 C18 UNN A 8 1.277 1.435 10.044 1.00 -0.04 C HETATM 2520 C19 UNN A 8 0.871 2.188 11.146 1.00 -0.06 C HETATM 2521 H UNN A 8 -0.160 2.512 11.233 1.00 0.06 H HETATM 2522 H UNN A 8 0.561 1.172 9.273 1.00 0.06 H HETATM 2523 S20 UNN A 8 3.110 0.069 8.535 1.00 0.06 S HETATM 2524 O21 UNN A 8 4.508 0.246 8.278 1.00 -0.15 O HETATM 2525 O22 UNN A 8 2.537 0.567 7.323 1.00 -0.15 O HETATM 2526 N23 UNN A 8 2.741 -1.526 8.768 1.00 -0.26 N HETATM 2527 H UNN A 8 2.971 -2.200 8.066 1.00 0.16 H HETATM 2528 H UNN A 8 2.288 -1.817 9.611 1.00 0.16 H HETATM 2529 H UNN A 8 4.539 1.044 10.833 1.00 0.06 H HETATM 2530 H UNN A 8 3.814 2.373 12.797 1.00 0.06 H HETATM 2531 H UNN A 8 1.875 4.321 13.353 1.00 0.07 H HETATM 2532 H UNN A 8 0.264 3.527 13.310 1.00 0.07 H HETATM 2533 H UNN A 8 1.224 1.769 14.744 1.00 0.19 H HETATM 2534 C24 UNN A 8 4.000 2.648 17.674 1.00 0.13 C HETATM 2535 N25 UNN A 8 4.911 3.739 17.361 1.00 -0.30 N HETATM 2536 C26 UNN A 8 4.774 5.021 17.978 1.00 0.04 C HETATM 2537 C27 UNN A 8 6.081 5.771 17.777 1.00 -0.03 C HETATM 2538 C28 UNN A 8 6.145 7.057 18.570 1.00 -0.02 C HETATM 2539 C29 UNN A 8 5.834 6.834 20.043 1.00 0.06 C HETATM 2540 O30 UNN A 8 5.800 8.089 20.708 1.00 -0.39 O HETATM 2541 H UNN A 8 5.606 7.954 21.628 1.00 0.21 H HETATM 2542 C31 UNN A 8 4.500 6.138 20.231 1.00 -0.02 C HETATM 2543 C32 UNN A 8 4.417 4.841 19.451 1.00 -0.03 C HETATM 2544 H UNN A 8 5.114 4.116 19.897 1.00 0.03 H HETATM 2545 H UNN A 8 3.390 4.453 19.520 1.00 0.03 H HETATM 2546 H UNN A 8 3.699 6.809 19.889 1.00 0.03 H HETATM 2547 H UNN A 8 4.362 5.918 21.300 1.00 0.03 H HETATM 2548 H UNN A 8 6.626 6.210 20.483 1.00 0.06 H HETATM 2549 H UNN A 8 5.413 7.766 18.156 1.00 0.03 H HETATM 2550 H UNN A 8 7.157 7.479 18.481 1.00 0.03 H HETATM 2551 H UNN A 8 6.188 6.011 16.709 1.00 0.03 H HETATM 2552 H UNN A 8 6.911 5.122 18.092 1.00 0.03 H HETATM 2553 H UNN A 8 3.964 5.580 17.488 1.00 0.06 H HETATM 2554 H UNN A 8 5.669 3.584 16.681 1.00 0.19 H HETATM 2555 N33 UNN A 8 4.199 1.897 18.775 1.00 -0.24 N HETATM 2556 H UNN A 8 1.202 1.042 16.549 1.00 0.09 H HETATM 2557 H UNN A 8 4.149 -0.799 20.234 1.00 0.19 H HETATM 2558 H UNN A 8 2.008 0.252 21.615 1.00 0.05 H HETATM 2559 H UNN A 8 3.603 -0.096 22.365 1.00 0.05 H HETATM 2560 H UNN A 8 3.164 2.538 20.920 1.00 0.03 H HETATM 2561 H UNN A 8 2.507 2.313 22.576 1.00 0.03 H HETATM 2562 H UNN A 8 5.103 1.383 22.813 1.00 0.03 H HETATM 2563 H UNN A 8 5.271 2.750 21.660 1.00 0.03 H HETATM 2564 H UNN A 8 5.562 3.507 24.001 1.00 0.02 H HETATM 2565 H UNN A 8 3.933 2.876 24.415 1.00 0.02 H HETATM 2566 H UNN A 8 4.100 4.244 23.262 1.00 0.02 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 153 154 157 158 159 CONECT 157 153 CONECT 158 153 CONECT 159 153 CONECT 717 718 723 724 725 CONECT 724 717 CONECT 725 717 CONECT 1488 1489 1494 1495 1496 CONECT 1495 1488 CONECT 1496 1488 CONECT 2502 2503 2564 2565 2566 CONECT 2503 2502 2504 2562 2563 CONECT 2504 2503 2505 2560 2561 CONECT 2505 2504 2506 2558 2559 CONECT 2506 2505 2507 2557 CONECT 2507 2506 2508 2555 CONECT 2508 2507 2509 CONECT 2509 2508 2510 2556 CONECT 2510 2509 2511 2534 CONECT 2511 2510 2512 2513 CONECT 2512 2511 CONECT 2513 2511 2514 2533 CONECT 2514 2513 2515 2531 2532 CONECT 2515 2514 2516 2520 CONECT 2516 2515 2517 2530 CONECT 2517 2516 2518 2529 CONECT 2518 2517 2519 2523 CONECT 2519 2518 2520 2522 CONECT 2520 2515 2519 2521 CONECT 2521 2520 CONECT 2522 2519 CONECT 2523 2518 2524 2525 2526 CONECT 2524 2523 CONECT 2525 2523 CONECT 2526 2523 2527 2528 CONECT 2527 2526 CONECT 2528 2526 CONECT 2529 2517 CONECT 2530 2516 CONECT 2531 2514 CONECT 2532 2514 CONECT 2533 2513 CONECT 2534 2510 2535 2555 CONECT 2535 2534 2536 2554 CONECT 2536 2535 2537 2543 2553 CONECT 2537 2536 2538 2551 2552 CONECT 2538 2537 2539 2549 2550 CONECT 2539 2538 2540 2542 2548 CONECT 2540 2539 2541 CONECT 2541 2540 CONECT 2542 2539 2543 2546 2547 CONECT 2543 2536 2542 2544 2545 CONECT 2544 2543 CONECT 2545 2543 CONECT 2546 2542 CONECT 2547 2542 CONECT 2548 2539 CONECT 2549 2538 CONECT 2550 2538 CONECT 2551 2537 CONECT 2552 2537 CONECT 2553 2536 CONECT 2554 2535 CONECT 2555 2507 2534 CONECT 2556 2509 CONECT 2557 2506 CONECT 2558 2505 CONECT 2559 2505 CONECT 2560 2504 CONECT 2561 2504 CONECT 2562 2503 CONECT 2563 2503 CONECT 2564 2502 CONECT 2565 2502 CONECT 2566 2502 MASTER 0 0 0 0 0 0 0 0 2562 4 79 22 END
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
4mha
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
catalytic domain of the proto-oncogene tyrosine-protein kinase MER
Ligand Name
4MH
EC.Number
E.C.2.7.10.1
Resolution
2.59(Å)
Affinity (Kd/Ki/IC50)
IC50=0.0052uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2013) J.Med.Chem. Vol. 56: pp. 9693-9700
Ligand Properties
Formula
C
2
2
H
3
2
N
6
O
4
S
Molecular Weight
476.592
Exact Mass
476.221
No. of atoms
65
No. of bonds
67
Polar Surface Area
167.71
LOGP Value
2.63 (
Computed with XLOGP3
)
4.30 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 3
Canonical SMILES
CCCCNc1ncc(c(n1)N[C@@H]1CC[C@H](CC1)O)C(=O)NCc1ccc(cc1)S(=O)(=O)N
InChI String
InChI=1S/C22H32N6O4S/c1-2-3-12-24-22-26-14-19(20(28-22)27-16-6-8-17(29)9-7-16)21(30)25-13-15-4-10-18(11-5-15)33(23,31)32/h4-5,10-11,14,16-17,29H,2-3,6-9,12-13H2,1H3,(H,25,30)(H2,23,31,32)(H2,24,26,27,28)/t16-,17-
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):
Q12866
Entrez Gene ID
NCBI Entrez Gene ID:
10461
ASD
Information of known allosteric effects of PDB entries
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