Browse entries in the PDBbind-CN Database
HEADER 5U7J_COMPLEX COMPND 5U7J_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 338 ASP ASP GLU TYR THR LYS LEU LEU HIS ASP GLY ILE GLN SEQRES 2 A 338 PRO VAL ALA ALA ILE ASP SER ASN PHE ALA SER PHE THR SEQRES 3 A 338 TYR THR PRO ARG SER LEU PRO GLU ASP ASP THR SER MET SEQRES 4 A 338 ALA ILE LEU SER MET LEU GLN ASP MET ASN PHE ILE ASN SEQRES 5 A 338 ASN TYR LYS ILE ASP CYS PRO THR LEU ALA ARG PHE CYS SEQRES 6 A 338 LEU MET VAL LYS LYS GLY TYR ARG ASP PRO PRO TYR HIS SEQRES 7 A 338 ASN TRP MET HIS ALA PHE SER VAL SER HIS PHE CYS TYR SEQRES 8 A 338 LEU LEU TYR LYS ASN LEU GLU LEU THR ASN TYR LEU GLU SEQRES 9 A 338 ASP ILE GLU ILE PHE ALA LEU PHE ILE SER CYS MET CYS SEQRES 10 A 338 HIS ASP LEU ASP HIS ARG GLY THR ASN ASN SER PHE GLN SEQRES 11 A 338 VAL ALA SER LYS SER VAL LEU ALA ALA LEU TYR SER SER SEQRES 12 A 338 GLU GLY SER VAL MET GLU ARG HIS HIS PHE ALA GLN ALA SEQRES 13 A 338 ILE ALA ILE LEU ASN THR HIS GLY CYS ASN ILE PHE ASP SEQRES 14 A 338 HIS PHE SER ARG LYS ASP TYR GLN ARG MET LEU ASP LEU SEQRES 15 A 338 MET ARG ASP ILE ILE LEU ALA THR ASP LEU ALA HIS HIS SEQRES 16 A 338 LEU ARG ILE PHE LYS ASP LEU GLN LYS MET ALA GLU VAL SEQRES 17 A 338 GLY TYR ASP ARG ASN ASN LYS GLN HIS HIS ARG LEU LEU SEQRES 18 A 338 LEU CYS LEU LEU MET THR SER CYS ASP LEU SER ASP GLN SEQRES 19 A 338 THR LYS GLY TRP LYS THR THR ARG LYS ILE ALA GLU LEU SEQRES 20 A 338 ILE TYR LYS GLU PHE PHE SER GLN GLY ASP LEU GLU LYS SEQRES 21 A 338 ALA MET GLY ASN ARG PRO MET GLU MET MET ASP ARG GLU SEQRES 22 A 338 LYS ALA TYR ILE PRO GLU LEU GLN ILE SER PHE MET GLU SEQRES 23 A 338 HIS ILE ALA MET PRO ILE TYR LYS LEU LEU GLN ASP LEU SEQRES 24 A 338 PHE PRO LYS ALA ALA GLU LEU TYR GLU ARG VAL ALA SER SEQRES 25 A 338 ASN ARG GLU HIS TRP THR LYS VAL SER HIS LYS PHE THR SEQRES 26 A 338 ILE ARG GLY LEU PRO SER ASN ASN SER LEU ASP PHE LEU HET ZN A 1 1 HET MG A 2 1 HET UNN A 677 46 ATOM 1 N ASP A 579 0.122 -27.988 -8.570 1.00 32.83 N ATOM 2 CA ASP A 579 0.219 -27.383 -7.243 1.00 31.50 C ATOM 3 C ASP A 579 -1.066 -27.549 -6.430 1.00 30.76 C ATOM 4 O ASP A 579 -2.167 -27.171 -6.865 1.00 27.04 O ATOM 5 CB ASP A 579 0.672 -25.915 -7.323 1.00 32.52 C ATOM 6 CG ASP A 579 0.780 -25.206 -5.990 1.00 46.72 C ATOM 7 OD1 ASP A 579 1.759 -25.481 -5.241 1.00 49.60 O ATOM 8 OD2 ASP A 579 -0.075 -24.338 -5.715 1.00 50.27 O ATOM 9 HN3 ASP A 579 -0.653 -27.539 -9.099 1.00 0.00 H ATOM 10 HN2 ASP A 579 -0.067 -29.006 -8.473 1.00 0.00 H ATOM 11 HN1 ASP A 579 1.018 -27.848 -9.080 1.00 0.00 H ATOM 12 N ASP A 580 -0.897 -28.167 -5.251 1.00 26.60 N ATOM 13 CA ASP A 580 -1.954 -28.462 -4.302 1.00 25.94 C ATOM 14 C ASP A 580 -2.644 -27.216 -3.750 1.00 25.04 C ATOM 15 O ASP A 580 -3.857 -27.267 -3.524 1.00 23.15 O ATOM 16 CB ASP A 580 -1.424 -29.352 -3.169 1.00 29.52 C ATOM 17 CG ASP A 580 -2.509 -29.966 -2.307 1.00 43.16 C ATOM 18 OD1 ASP A 580 -3.451 -30.578 -2.876 1.00 42.86 O ATOM 19 OD2 ASP A 580 -2.409 -29.856 -1.065 1.00 52.58 O ATOM 20 H ASP A 580 0.069 -28.458 -4.997 1.00 0.00 H ATOM 21 N GLU A 581 -1.894 -26.107 -3.536 1.00 19.25 N ATOM 22 CA GLU A 581 -2.475 -24.857 -3.028 1.00 18.74 C ATOM 23 C GLU A 581 -3.566 -24.385 -3.974 1.00 21.25 C ATOM 24 O GLU A 581 -4.668 -24.043 -3.533 1.00 20.90 O ATOM 25 CB GLU A 581 -1.408 -23.774 -2.861 1.00 20.05 C ATOM 26 CG GLU A 581 -1.618 -22.925 -1.622 1.00 39.19 C ATOM 27 CD GLU A 581 -0.595 -21.832 -1.363 1.00 56.43 C ATOM 28 OE1 GLU A 581 0.618 -22.107 -1.512 1.00 49.39 O ATOM 29 OE2 GLU A 581 -1.005 -20.713 -0.974 1.00 51.19 O ATOM 30 H GLU A 581 -0.874 -26.142 -3.738 1.00 0.00 H ATOM 31 N TYR A 582 -3.269 -24.429 -5.290 1.00 16.98 N ATOM 32 CA TYR A 582 -4.174 -24.051 -6.362 1.00 16.31 C ATOM 33 C TYR A 582 -5.415 -24.953 -6.362 1.00 20.42 C ATOM 34 O TYR A 582 -6.534 -24.435 -6.463 1.00 19.26 O ATOM 35 CB TYR A 582 -3.437 -24.104 -7.729 1.00 17.12 C ATOM 36 CG TYR A 582 -4.353 -24.057 -8.938 1.00 17.97 C ATOM 37 CD1 TYR A 582 -4.880 -22.855 -9.386 1.00 19.91 C ATOM 38 CD2 TYR A 582 -4.681 -25.216 -9.638 1.00 18.54 C ATOM 39 CE1 TYR A 582 -5.765 -22.810 -10.461 1.00 19.63 C ATOM 40 CE2 TYR A 582 -5.581 -25.188 -10.709 1.00 19.04 C ATOM 41 CZ TYR A 582 -6.099 -23.975 -11.131 1.00 26.30 C ATOM 42 OH TYR A 582 -6.934 -23.914 -12.213 1.00 26.36 O ATOM 43 HH TYR A 582 -7.738 -24.465 -12.039 1.00 0.00 H ATOM 44 H TYR A 582 -2.320 -24.759 -5.557 1.00 0.00 H ATOM 45 N THR A 583 -5.209 -26.292 -6.246 1.00 17.18 N ATOM 46 CA THR A 583 -6.277 -27.321 -6.274 1.00 18.31 C ATOM 47 C THR A 583 -7.359 -27.007 -5.236 1.00 23.98 C ATOM 48 O THR A 583 -8.546 -26.957 -5.571 1.00 23.30 O ATOM 49 CB THR A 583 -5.658 -28.722 -6.103 1.00 21.06 C ATOM 50 OG1 THR A 583 -4.935 -29.016 -7.295 1.00 19.83 O ATOM 51 CG2 THR A 583 -6.705 -29.802 -5.880 1.00 18.79 C ATOM 52 HG1 THR A 583 -4.523 -29.913 -7.217 1.00 0.00 H ATOM 53 H THR A 583 -4.229 -26.619 -6.129 1.00 0.00 H ATOM 54 N LYS A 584 -6.923 -26.758 -4.002 1.00 20.54 N ATOM 55 CA LYS A 584 -7.771 -26.416 -2.867 1.00 21.16 C ATOM 56 C LYS A 584 -8.455 -25.066 -3.066 1.00 25.16 C ATOM 57 O LYS A 584 -9.647 -24.964 -2.855 1.00 25.18 O ATOM 58 CB LYS A 584 -6.959 -26.419 -1.574 1.00 22.63 C ATOM 59 CG LYS A 584 -6.696 -27.813 -1.034 1.00 23.41 C ATOM 60 CD LYS A 584 -5.522 -27.788 -0.059 1.00 30.81 C ATOM 61 CE LYS A 584 -5.458 -29.011 0.810 1.00 37.19 C ATOM 62 NZ LYS A 584 -4.938 -30.207 0.099 1.00 45.38 N ATOM 63 HZ1 LYS A 584 -5.557 -30.426 -0.707 1.00 0.00 H ATOM 64 HZ2 LYS A 584 -3.975 -30.014 -0.244 1.00 0.00 H ATOM 65 HZ3 LYS A 584 -4.919 -31.016 0.752 1.00 0.00 H ATOM 66 H LYS A 584 -5.898 -26.812 -3.836 1.00 0.00 H ATOM 67 N LEU A 585 -7.715 -24.053 -3.497 1.00 23.50 N ATOM 68 CA LEU A 585 -8.231 -22.711 -3.734 1.00 23.14 C ATOM 69 C LEU A 585 -9.333 -22.704 -4.790 1.00 29.40 C ATOM 70 O LEU A 585 -10.295 -21.944 -4.663 1.00 31.37 O ATOM 71 CB LEU A 585 -7.052 -21.810 -4.148 1.00 22.17 C ATOM 72 CG LEU A 585 -7.112 -20.327 -3.823 1.00 25.78 C ATOM 73 CD1 LEU A 585 -7.262 -20.073 -2.312 1.00 27.03 C ATOM 74 CD2 LEU A 585 -5.881 -19.626 -4.353 1.00 23.87 C ATOM 75 H LEU A 585 -6.706 -24.227 -3.677 1.00 0.00 H ATOM 76 N LEU A 586 -9.234 -23.605 -5.789 1.00 25.27 N ATOM 77 CA LEU A 586 -10.191 -23.734 -6.880 1.00 24.67 C ATOM 78 C LEU A 586 -11.391 -24.642 -6.568 1.00 28.60 C ATOM 79 O LEU A 586 -12.525 -24.262 -6.865 1.00 30.97 O ATOM 80 CB LEU A 586 -9.474 -24.201 -8.167 1.00 25.07 C ATOM 81 CG LEU A 586 -10.343 -24.497 -9.401 1.00 30.06 C ATOM 82 CD1 LEU A 586 -11.070 -23.232 -9.904 1.00 29.11 C ATOM 83 CD2 LEU A 586 -9.519 -25.104 -10.501 1.00 32.45 C ATOM 84 H LEU A 586 -8.419 -24.251 -5.780 1.00 0.00 H ATOM 85 N HIS A 587 -11.154 -25.841 -6.011 1.00 21.14 N ATOM 86 CA HIS A 587 -12.220 -26.811 -5.787 1.00 21.38 C ATOM 87 C HIS A 587 -12.914 -26.758 -4.405 1.00 26.66 C ATOM 88 O HIS A 587 -14.029 -27.272 -4.298 1.00 26.95 O ATOM 89 CB HIS A 587 -11.711 -28.230 -6.083 1.00 21.92 C ATOM 90 CG HIS A 587 -11.289 -28.385 -7.511 1.00 24.30 C ATOM 91 ND1 HIS A 587 -12.203 -28.686 -8.502 1.00 26.17 N ATOM 92 CD2 HIS A 587 -10.073 -28.211 -8.076 1.00 24.32 C ATOM 93 CE1 HIS A 587 -11.510 -28.722 -9.626 1.00 25.30 C ATOM 94 NE2 HIS A 587 -10.222 -28.440 -9.415 1.00 24.59 N ATOM 95 H HIS A 587 -10.182 -26.085 -5.731 1.00 0.00 H ATOM 96 N ASP A 588 -12.306 -26.120 -3.384 1.00 24.20 N ATOM 97 CA ASP A 588 -12.899 -26.080 -2.031 1.00 25.33 C ATOM 98 C ASP A 588 -13.992 -25.032 -1.835 1.00 31.25 C ATOM 99 O ASP A 588 -14.748 -25.124 -0.867 1.00 33.45 O ATOM 100 CB ASP A 588 -11.832 -25.920 -0.926 1.00 26.35 C ATOM 101 CG ASP A 588 -10.983 -27.158 -0.607 1.00 34.56 C ATOM 102 OD1 ASP A 588 -11.348 -28.259 -1.044 1.00 35.26 O ATOM 103 OD2 ASP A 588 -9.950 -27.013 0.078 1.00 36.86 O ATOM 104 H ASP A 588 -11.397 -25.644 -3.553 1.00 0.00 H ATOM 105 N GLY A 589 -14.065 -24.052 -2.721 1.00 26.30 N ATOM 106 CA GLY A 589 -15.040 -22.974 -2.594 1.00 25.56 C ATOM 107 C GLY A 589 -14.481 -21.789 -1.833 1.00 27.36 C ATOM 108 O GLY A 589 -13.630 -21.960 -0.953 1.00 27.74 O ATOM 109 H GLY A 589 -13.410 -24.050 -3.529 1.00 0.00 H ATOM 110 N ILE A 590 -14.955 -20.581 -2.171 1.00 23.36 N ATOM 111 CA ILE A 590 -14.520 -19.333 -1.535 1.00 22.18 C ATOM 112 C ILE A 590 -15.226 -19.168 -0.186 1.00 26.50 C ATOM 113 O ILE A 590 -16.452 -19.044 -0.136 1.00 26.37 O ATOM 114 CB ILE A 590 -14.716 -18.096 -2.456 1.00 24.31 C ATOM 115 CG1 ILE A 590 -13.952 -18.254 -3.793 1.00 23.91 C ATOM 116 CG2 ILE A 590 -14.308 -16.805 -1.723 1.00 23.89 C ATOM 117 CD1 ILE A 590 -14.423 -17.370 -4.894 1.00 26.88 C ATOM 118 H ILE A 590 -15.670 -20.526 -2.925 1.00 0.00 H ATOM 119 N GLN A 591 -14.448 -19.165 0.898 1.00 23.47 N ATOM 120 CA GLN A 591 -14.976 -19.016 2.259 1.00 23.94 C ATOM 121 C GLN A 591 -15.628 -17.621 2.491 1.00 25.55 C ATOM 122 O GLN A 591 -15.177 -16.654 1.883 1.00 23.02 O ATOM 123 CB GLN A 591 -13.869 -19.303 3.300 1.00 26.29 C ATOM 124 CG GLN A 591 -13.278 -20.736 3.221 1.00 51.16 C ATOM 125 CD GLN A 591 -14.274 -21.882 3.030 1.00 69.08 C ATOM 126 OE1 GLN A 591 -15.229 -22.067 3.797 1.00 65.00 O ATOM 127 NE2 GLN A 591 -14.041 -22.709 2.015 1.00 56.76 N ATOM 128 HE22 GLN A 591 -13.235 -22.539 1.380 1.00 0.00 H ATOM 129 HE21 GLN A 591 -14.665 -23.526 1.856 1.00 0.00 H ATOM 130 H GLN A 591 -13.421 -19.273 0.773 1.00 0.00 H ATOM 131 N PRO A 592 -16.726 -17.511 3.284 1.00 23.68 N ATOM 132 CA PRO A 592 -17.326 -16.179 3.542 1.00 22.57 C ATOM 133 C PRO A 592 -16.380 -15.308 4.368 1.00 25.78 C ATOM 134 O PRO A 592 -15.710 -15.830 5.258 1.00 25.04 O ATOM 135 CB PRO A 592 -18.601 -16.499 4.331 1.00 25.51 C ATOM 136 CG PRO A 592 -18.761 -17.998 4.284 1.00 30.94 C ATOM 137 CD PRO A 592 -17.398 -18.564 4.075 1.00 26.14 C ATOM 138 N VAL A 593 -16.316 -13.995 4.065 1.00 24.10 N ATOM 139 CA VAL A 593 -15.457 -13.007 4.770 1.00 24.36 C ATOM 140 C VAL A 593 -15.582 -13.062 6.299 1.00 29.32 C ATOM 141 O VAL A 593 -14.566 -12.972 6.996 1.00 29.98 O ATOM 142 CB VAL A 593 -15.617 -11.530 4.286 1.00 28.20 C ATOM 143 CG1 VAL A 593 -14.672 -11.184 3.136 1.00 27.08 C ATOM 144 CG2 VAL A 593 -17.064 -11.175 3.975 1.00 28.29 C ATOM 145 H VAL A 593 -16.909 -13.650 3.284 1.00 0.00 H ATOM 146 N ALA A 594 -16.822 -13.187 6.820 1.00 28.52 N ATOM 147 CA ALA A 594 -17.112 -13.217 8.255 1.00 30.03 C ATOM 148 C ALA A 594 -16.485 -14.410 8.955 1.00 36.99 C ATOM 149 O ALA A 594 -16.226 -14.339 10.159 1.00 38.27 O ATOM 150 CB ALA A 594 -18.618 -13.220 8.477 1.00 32.25 C ATOM 151 H ALA A 594 -17.622 -13.267 6.160 1.00 0.00 H ATOM 152 N ALA A 595 -16.211 -15.498 8.186 1.00 33.42 N ATOM 153 CA ALA A 595 -15.597 -16.736 8.681 1.00 34.09 C ATOM 154 C ALA A 595 -14.139 -16.571 9.050 1.00 38.43 C ATOM 155 O ALA A 595 -13.604 -17.345 9.844 1.00 40.01 O ATOM 156 CB ALA A 595 -15.744 -17.846 7.660 1.00 34.85 C ATOM 157 H ALA A 595 -16.454 -15.449 7.176 1.00 0.00 H ATOM 158 N ILE A 596 -13.489 -15.581 8.452 1.00 33.01 N ATOM 159 CA ILE A 596 -12.079 -15.300 8.685 1.00 31.86 C ATOM 160 C ILE A 596 -11.888 -14.757 10.111 1.00 36.03 C ATOM 161 O ILE A 596 -11.093 -15.307 10.872 1.00 36.75 O ATOM 162 CB ILE A 596 -11.528 -14.357 7.609 1.00 33.84 C ATOM 163 CG1 ILE A 596 -11.783 -14.892 6.195 1.00 33.46 C ATOM 164 CG2 ILE A 596 -10.066 -14.126 7.831 1.00 35.58 C ATOM 165 CD1 ILE A 596 -11.641 -13.802 5.098 1.00 35.22 C ATOM 166 H ILE A 596 -14.011 -14.977 7.785 1.00 0.00 H ATOM 167 N ASP A 597 -12.648 -13.708 10.466 1.00 31.33 N ATOM 168 CA ASP A 597 -12.660 -13.072 11.783 1.00 31.54 C ATOM 169 C ASP A 597 -13.913 -12.232 11.873 1.00 35.14 C ATOM 170 O ASP A 597 -14.342 -11.662 10.869 1.00 33.20 O ATOM 171 CB ASP A 597 -11.424 -12.192 11.965 1.00 32.67 C ATOM 172 CG ASP A 597 -11.166 -11.754 13.396 1.00 39.66 C ATOM 173 OD1 ASP A 597 -11.796 -10.765 13.838 1.00 38.66 O ATOM 174 OD2 ASP A 597 -10.316 -12.385 14.064 1.00 48.46 O ATOM 175 H ASP A 597 -13.282 -13.314 9.742 1.00 0.00 H ATOM 176 N SER A 598 -14.520 -12.171 13.075 1.00 33.99 N ATOM 177 CA SER A 598 -15.745 -11.401 13.309 1.00 34.43 C ATOM 178 C SER A 598 -15.510 -9.886 13.154 1.00 37.89 C ATOM 179 O SER A 598 -16.447 -9.145 12.848 1.00 39.20 O ATOM 180 CB SER A 598 -16.316 -11.712 14.691 1.00 39.30 C ATOM 181 OG SER A 598 -15.413 -11.351 15.724 1.00 51.10 O ATOM 182 HG SER A 598 -15.815 -11.566 16.603 1.00 0.00 H ATOM 183 H SER A 598 -14.101 -12.693 13.871 1.00 0.00 H ATOM 184 N ASN A 599 -14.259 -9.443 13.328 1.00 31.72 N ATOM 185 CA ASN A 599 -13.872 -8.043 13.207 1.00 30.72 C ATOM 186 C ASN A 599 -13.138 -7.736 11.876 1.00 32.08 C ATOM 187 O ASN A 599 -12.603 -6.634 11.724 1.00 31.52 O ATOM 188 CB ASN A 599 -13.002 -7.665 14.416 1.00 33.67 C ATOM 189 CG ASN A 599 -13.054 -6.207 14.789 1.00 63.21 C ATOM 190 OD1 ASN A 599 -14.125 -5.604 14.912 1.00 58.88 O ATOM 191 ND2 ASN A 599 -11.888 -5.616 15.005 1.00 56.00 N ATOM 192 HD22 ASN A 599 -11.004 -6.153 14.893 1.00 0.00 H ATOM 193 HD21 ASN A 599 -11.856 -4.615 15.287 1.00 0.00 H ATOM 194 H ASN A 599 -13.521 -10.137 13.563 1.00 0.00 H ATOM 195 N PHE A 600 -13.151 -8.685 10.907 1.00 26.51 N ATOM 196 CA PHE A 600 -12.435 -8.577 9.615 1.00 24.59 C ATOM 197 C PHE A 600 -12.685 -7.281 8.845 1.00 26.94 C ATOM 198 O PHE A 600 -11.753 -6.761 8.243 1.00 25.01 O ATOM 199 CB PHE A 600 -12.706 -9.792 8.702 1.00 25.31 C ATOM 200 CG PHE A 600 -11.740 -9.930 7.544 1.00 24.65 C ATOM 201 CD1 PHE A 600 -10.471 -10.468 7.735 1.00 26.94 C ATOM 202 CD2 PHE A 600 -12.106 -9.540 6.259 1.00 24.27 C ATOM 203 CE1 PHE A 600 -9.573 -10.590 6.669 1.00 25.88 C ATOM 204 CE2 PHE A 600 -11.211 -9.668 5.190 1.00 25.70 C ATOM 205 CZ PHE A 600 -9.955 -10.206 5.398 1.00 23.65 C ATOM 206 H PHE A 600 -13.702 -9.549 11.084 1.00 0.00 H ATOM 207 N ALA A 601 -13.925 -6.775 8.845 1.00 23.91 N ATOM 208 CA ALA A 601 -14.315 -5.563 8.109 1.00 22.91 C ATOM 209 C ALA A 601 -14.217 -4.245 8.929 1.00 25.10 C ATOM 210 O ALA A 601 -14.707 -3.202 8.479 1.00 22.66 O ATOM 211 CB ALA A 601 -15.712 -5.739 7.525 1.00 24.16 C ATOM 212 H ALA A 601 -14.655 -7.268 9.398 1.00 0.00 H ATOM 213 N SER A 602 -13.530 -4.273 10.092 1.00 21.94 N ATOM 214 CA SER A 602 -13.365 -3.090 10.941 1.00 22.37 C ATOM 215 C SER A 602 -11.991 -2.462 10.804 1.00 26.00 C ATOM 216 O SER A 602 -11.008 -3.177 10.629 1.00 25.55 O ATOM 217 CB SER A 602 -13.604 -3.446 12.408 1.00 26.35 C ATOM 218 OG SER A 602 -13.229 -2.401 13.292 1.00 31.52 O ATOM 219 HG SER A 602 -13.403 -2.681 14.225 1.00 0.00 H ATOM 220 H SER A 602 -13.101 -5.170 10.397 1.00 0.00 H ATOM 221 N PHE A 603 -11.911 -1.126 10.966 1.00 22.76 N ATOM 222 CA PHE A 603 -10.648 -0.389 10.965 1.00 22.06 C ATOM 223 C PHE A 603 -9.718 -0.798 12.141 1.00 29.13 C ATOM 224 O PHE A 603 -8.514 -0.536 12.087 1.00 28.48 O ATOM 225 CB PHE A 603 -10.903 1.131 10.983 1.00 23.87 C ATOM 226 CG PHE A 603 -11.303 1.755 9.661 1.00 24.56 C ATOM 227 CD1 PHE A 603 -10.618 1.447 8.488 1.00 26.16 C ATOM 228 CD2 PHE A 603 -12.326 2.693 9.599 1.00 26.47 C ATOM 229 CE1 PHE A 603 -10.966 2.045 7.273 1.00 27.27 C ATOM 230 CE2 PHE A 603 -12.666 3.300 8.386 1.00 28.79 C ATOM 231 CZ PHE A 603 -11.985 2.969 7.230 1.00 26.54 C ATOM 232 H PHE A 603 -12.793 -0.592 11.099 1.00 0.00 H ATOM 233 N THR A 604 -10.270 -1.459 13.182 1.00 26.92 N ATOM 234 CA THR A 604 -9.491 -1.929 14.336 1.00 26.92 C ATOM 235 C THR A 604 -8.813 -3.283 14.072 1.00 28.93 C ATOM 236 O THR A 604 -7.917 -3.673 14.820 1.00 28.69 O ATOM 237 CB THR A 604 -10.345 -1.955 15.621 1.00 35.44 C ATOM 238 OG1 THR A 604 -11.398 -2.910 15.478 1.00 38.65 O ATOM 239 CG2 THR A 604 -10.906 -0.591 15.978 1.00 34.22 C ATOM 240 HG1 THR A 604 -11.968 -2.658 14.709 1.00 0.00 H ATOM 241 H THR A 604 -11.293 -1.644 13.166 1.00 0.00 H ATOM 242 N TYR A 605 -9.243 -4.006 13.027 1.00 24.44 N ATOM 243 CA TYR A 605 -8.662 -5.302 12.682 1.00 23.29 C ATOM 244 C TYR A 605 -7.240 -5.147 12.140 1.00 24.45 C ATOM 245 O TYR A 605 -6.979 -4.263 11.329 1.00 23.24 O ATOM 246 CB TYR A 605 -9.533 -6.027 11.653 1.00 23.89 C ATOM 247 CG TYR A 605 -9.033 -7.407 11.286 1.00 23.07 C ATOM 248 CD1 TYR A 605 -9.107 -8.460 12.190 1.00 24.28 C ATOM 249 CD2 TYR A 605 -8.477 -7.659 10.037 1.00 22.88 C ATOM 250 CE1 TYR A 605 -8.641 -9.732 11.859 1.00 23.45 C ATOM 251 CE2 TYR A 605 -8.006 -8.928 9.697 1.00 23.17 C ATOM 252 CZ TYR A 605 -8.108 -9.964 10.604 1.00 27.07 C ATOM 253 OH TYR A 605 -7.645 -11.205 10.258 1.00 28.08 O ATOM 254 HH TYR A 605 -7.790 -11.832 11.011 1.00 0.00 H ATOM 255 H TYR A 605 -10.017 -3.631 12.442 1.00 0.00 H ATOM 256 N THR A 606 -6.332 -6.029 12.584 1.00 20.80 N ATOM 257 CA THR A 606 -4.930 -6.041 12.158 1.00 18.93 C ATOM 258 C THR A 606 -4.737 -7.217 11.187 1.00 19.80 C ATOM 259 O THR A 606 -4.638 -8.358 11.646 1.00 19.53 O ATOM 260 CB THR A 606 -3.976 -6.088 13.371 1.00 21.90 C ATOM 261 OG1 THR A 606 -4.338 -7.174 14.197 1.00 23.62 O ATOM 262 CG2 THR A 606 -4.004 -4.809 14.195 1.00 22.20 C ATOM 263 HG1 THR A 606 -4.267 -8.017 13.682 1.00 0.00 H ATOM 264 H THR A 606 -6.641 -6.746 13.271 1.00 0.00 H ATOM 265 N PRO A 607 -4.714 -6.978 9.850 1.00 16.84 N ATOM 266 CA PRO A 607 -4.589 -8.104 8.901 1.00 17.09 C ATOM 267 C PRO A 607 -3.321 -8.933 9.058 1.00 23.12 C ATOM 268 O PRO A 607 -3.307 -10.097 8.675 1.00 24.42 O ATOM 269 CB PRO A 607 -4.689 -7.443 7.526 1.00 17.99 C ATOM 270 CG PRO A 607 -4.379 -6.005 7.779 1.00 21.35 C ATOM 271 CD PRO A 607 -4.855 -5.691 9.140 1.00 17.38 C ATOM 272 N ARG A 608 -2.273 -8.351 9.653 1.00 20.35 N ATOM 273 CA ARG A 608 -1.039 -9.091 9.917 1.00 20.20 C ATOM 274 C ARG A 608 -1.228 -10.237 10.933 1.00 24.09 C ATOM 275 O ARG A 608 -0.366 -11.105 11.022 1.00 25.37 O ATOM 276 CB ARG A 608 0.092 -8.150 10.329 1.00 22.39 C ATOM 277 CG ARG A 608 0.551 -7.285 9.177 1.00 23.21 C ATOM 278 CD ARG A 608 1.496 -6.211 9.658 1.00 22.51 C ATOM 279 NE ARG A 608 2.063 -5.473 8.529 1.00 21.66 N ATOM 280 CZ ARG A 608 3.131 -5.854 7.839 1.00 28.76 C ATOM 281 NH1 ARG A 608 3.759 -6.987 8.141 1.00 22.16 N ATOM 282 NH2 ARG A 608 3.599 -5.093 6.861 1.00 16.94 N ATOM 283 HE ARG A 608 1.596 -4.587 8.247 1.00 0.00 H ATOM 284 HH12 ARG A 608 4.595 -7.279 7.596 1.00 0.00 H ATOM 285 HH11 ARG A 608 3.414 -7.581 8.922 1.00 0.00 H ATOM 286 HH22 ARG A 608 4.436 -5.395 6.322 1.00 0.00 H ATOM 287 HH21 ARG A 608 3.129 -4.194 6.632 1.00 0.00 H ATOM 288 H ARG A 608 -2.337 -7.352 9.934 1.00 0.00 H ATOM 289 N SER A 609 -2.379 -10.275 11.650 1.00 21.40 N ATOM 290 CA SER A 609 -2.713 -11.338 12.605 1.00 22.34 C ATOM 291 C SER A 609 -3.174 -12.605 11.867 1.00 25.92 C ATOM 292 O SER A 609 -3.224 -13.685 12.459 1.00 25.55 O ATOM 293 CB SER A 609 -3.811 -10.879 13.560 1.00 25.17 C ATOM 294 OG SER A 609 -3.416 -9.722 14.275 1.00 34.51 O ATOM 295 HG SER A 609 -3.225 -8.990 13.636 1.00 0.00 H ATOM 296 H SER A 609 -3.065 -9.505 11.515 1.00 0.00 H ATOM 297 N LEU A 610 -3.546 -12.474 10.580 1.00 20.81 N ATOM 298 CA LEU A 610 -3.980 -13.629 9.816 1.00 19.87 C ATOM 299 C LEU A 610 -2.757 -14.472 9.389 1.00 22.72 C ATOM 300 O LEU A 610 -1.817 -13.909 8.835 1.00 20.73 O ATOM 301 CB LEU A 610 -4.811 -13.188 8.591 1.00 19.00 C ATOM 302 CG LEU A 610 -5.513 -14.308 7.839 1.00 22.34 C ATOM 303 CD1 LEU A 610 -6.662 -14.852 8.660 1.00 23.38 C ATOM 304 CD2 LEU A 610 -5.996 -13.847 6.501 1.00 18.09 C ATOM 305 H LEU A 610 -3.522 -11.537 10.129 1.00 0.00 H ATOM 306 N PRO A 611 -2.753 -15.809 9.639 1.00 20.59 N ATOM 307 CA PRO A 611 -1.615 -16.645 9.202 1.00 20.17 C ATOM 308 C PRO A 611 -1.404 -16.534 7.698 1.00 22.11 C ATOM 309 O PRO A 611 -2.386 -16.447 6.949 1.00 19.20 O ATOM 310 CB PRO A 611 -2.053 -18.065 9.592 1.00 23.73 C ATOM 311 CG PRO A 611 -3.022 -17.871 10.684 1.00 28.96 C ATOM 312 CD PRO A 611 -3.782 -16.632 10.309 1.00 23.62 C ATOM 313 N GLU A 612 -0.129 -16.486 7.250 1.00 20.01 N ATOM 314 CA GLU A 612 0.201 -16.328 5.827 1.00 20.64 C ATOM 315 C GLU A 612 -0.459 -17.379 4.925 1.00 25.71 C ATOM 316 O GLU A 612 -0.846 -17.053 3.795 1.00 25.42 O ATOM 317 CB GLU A 612 1.713 -16.307 5.624 1.00 22.69 C ATOM 318 CG GLU A 612 2.113 -15.632 4.327 1.00 33.27 C ATOM 319 CD GLU A 612 3.559 -15.202 4.191 1.00 49.85 C ATOM 320 OE1 GLU A 612 4.390 -15.537 5.067 1.00 47.10 O ATOM 321 OE2 GLU A 612 3.858 -14.519 3.188 1.00 43.30 O ATOM 322 H GLU A 612 0.647 -16.564 7.938 1.00 0.00 H ATOM 323 N ASP A 613 -0.616 -18.622 5.434 1.00 23.71 N ATOM 324 CA ASP A 613 -1.255 -19.721 4.691 1.00 23.40 C ATOM 325 C ASP A 613 -2.742 -19.479 4.366 1.00 25.19 C ATOM 326 O ASP A 613 -3.274 -20.129 3.453 1.00 26.73 O ATOM 327 CB ASP A 613 -1.068 -21.054 5.427 1.00 26.29 C ATOM 328 CG ASP A 613 0.345 -21.623 5.385 1.00 40.15 C ATOM 329 OD1 ASP A 613 1.183 -21.095 4.613 1.00 40.98 O ATOM 330 OD2 ASP A 613 0.601 -22.621 6.084 1.00 50.33 O ATOM 331 H ASP A 613 -0.269 -18.811 6.396 1.00 0.00 H ATOM 332 N ASP A 614 -3.399 -18.554 5.091 1.00 17.87 N ATOM 333 CA ASP A 614 -4.824 -18.213 4.897 1.00 18.20 C ATOM 334 C ASP A 614 -5.058 -16.943 4.061 1.00 20.30 C ATOM 335 O ASP A 614 -6.216 -16.589 3.790 1.00 17.63 O ATOM 336 CB ASP A 614 -5.510 -18.052 6.271 1.00 20.55 C ATOM 337 CG ASP A 614 -5.509 -19.307 7.135 1.00 37.19 C ATOM 338 OD1 ASP A 614 -5.649 -20.421 6.573 1.00 38.25 O ATOM 339 OD2 ASP A 614 -5.415 -19.172 8.373 1.00 41.23 O ATOM 340 H ASP A 614 -2.872 -18.049 5.832 1.00 0.00 H ATOM 341 N THR A 615 -3.977 -16.250 3.669 1.00 15.97 N ATOM 342 CA THR A 615 -4.088 -14.959 2.979 1.00 14.39 C ATOM 343 C THR A 615 -4.617 -15.049 1.547 1.00 17.79 C ATOM 344 O THR A 615 -5.397 -14.173 1.176 1.00 16.46 O ATOM 345 CB THR A 615 -2.789 -14.157 3.038 1.00 17.12 C ATOM 346 OG1 THR A 615 -1.751 -14.917 2.420 1.00 16.96 O ATOM 347 CG2 THR A 615 -2.409 -13.764 4.456 1.00 13.85 C ATOM 348 HG1 THR A 615 -1.639 -15.774 2.903 1.00 0.00 H ATOM 349 H THR A 615 -3.032 -16.640 3.860 1.00 0.00 H ATOM 350 N SER A 616 -4.212 -16.060 0.737 1.00 14.85 N ATOM 351 CA SER A 616 -4.723 -16.175 -0.645 1.00 14.36 C ATOM 352 C SER A 616 -6.240 -16.400 -0.646 1.00 17.68 C ATOM 353 O SER A 616 -6.941 -15.807 -1.470 1.00 17.49 O ATOM 354 CB SER A 616 -4.013 -17.283 -1.421 1.00 18.39 C ATOM 355 OG SER A 616 -2.684 -16.870 -1.710 1.00 24.03 O ATOM 356 HG SER A 616 -2.708 -16.044 -2.255 1.00 0.00 H ATOM 357 H SER A 616 -3.533 -16.763 1.093 1.00 0.00 H ATOM 358 N MET A 617 -6.750 -17.198 0.308 1.00 17.02 N ATOM 359 CA MET A 617 -8.191 -17.427 0.429 1.00 17.23 C ATOM 360 C MET A 617 -8.909 -16.149 0.880 1.00 17.19 C ATOM 361 O MET A 617 -10.005 -15.880 0.380 1.00 15.49 O ATOM 362 CB MET A 617 -8.498 -18.625 1.335 1.00 20.84 C ATOM 363 CG MET A 617 -9.993 -18.971 1.437 1.00 26.09 C ATOM 364 SD MET A 617 -10.879 -19.174 -0.145 1.00 30.12 S ATOM 365 CE MET A 617 -10.488 -20.932 -0.520 1.00 27.29 C ATOM 366 H MET A 617 -6.105 -17.664 0.977 1.00 0.00 H ATOM 367 N ALA A 618 -8.269 -15.338 1.769 1.00 13.61 N ATOM 368 CA ALA A 618 -8.831 -14.064 2.262 1.00 13.24 C ATOM 369 C ALA A 618 -8.972 -13.060 1.102 1.00 16.19 C ATOM 370 O ALA A 618 -9.951 -12.315 1.063 1.00 15.65 O ATOM 371 CB ALA A 618 -7.958 -13.480 3.361 1.00 14.29 C ATOM 372 H ALA A 618 -7.335 -15.632 2.119 1.00 0.00 H ATOM 373 N ILE A 619 -7.993 -13.048 0.165 1.00 13.12 N ATOM 374 CA ILE A 619 -8.039 -12.205 -1.042 1.00 12.82 C ATOM 375 C ILE A 619 -9.284 -12.590 -1.853 1.00 17.46 C ATOM 376 O ILE A 619 -10.030 -11.711 -2.260 1.00 18.70 O ATOM 377 CB ILE A 619 -6.741 -12.324 -1.905 1.00 14.78 C ATOM 378 CG1 ILE A 619 -5.499 -11.682 -1.203 1.00 13.94 C ATOM 379 CG2 ILE A 619 -6.945 -11.749 -3.343 1.00 16.12 C ATOM 380 CD1 ILE A 619 -5.526 -10.081 -0.984 1.00 21.39 C ATOM 381 H ILE A 619 -7.168 -13.665 0.305 1.00 0.00 H ATOM 382 N LEU A 620 -9.498 -13.905 -2.088 1.00 13.86 N ATOM 383 CA LEU A 620 -10.661 -14.385 -2.854 1.00 15.38 C ATOM 384 C LEU A 620 -11.959 -14.012 -2.161 1.00 17.03 C ATOM 385 O LEU A 620 -12.900 -13.592 -2.834 1.00 14.42 O ATOM 386 CB LEU A 620 -10.605 -15.903 -3.056 1.00 15.70 C ATOM 387 CG LEU A 620 -9.472 -16.466 -3.908 1.00 21.18 C ATOM 388 CD1 LEU A 620 -9.721 -17.920 -4.214 1.00 22.34 C ATOM 389 CD2 LEU A 620 -9.355 -15.739 -5.249 1.00 24.25 C ATOM 390 H LEU A 620 -8.819 -14.600 -1.716 1.00 0.00 H ATOM 391 N SER A 621 -11.998 -14.151 -0.818 1.00 13.19 N ATOM 392 CA SER A 621 -13.180 -13.797 -0.039 1.00 13.99 C ATOM 393 C SER A 621 -13.502 -12.303 -0.158 1.00 16.72 C ATOM 394 O SER A 621 -14.675 -11.966 -0.254 1.00 15.38 O ATOM 395 CB SER A 621 -12.990 -14.195 1.428 1.00 18.22 C ATOM 396 OG SER A 621 -12.793 -15.599 1.522 1.00 24.18 O ATOM 397 HG SER A 621 -13.584 -16.067 1.154 1.00 0.00 H ATOM 398 H SER A 621 -11.161 -14.521 -0.325 1.00 0.00 H ATOM 399 N MET A 622 -12.469 -11.409 -0.120 1.00 12.34 N ATOM 400 CA MET A 622 -12.659 -9.946 -0.208 1.00 12.15 C ATOM 401 C MET A 622 -13.164 -9.574 -1.585 1.00 17.09 C ATOM 402 O MET A 622 -14.105 -8.790 -1.682 1.00 16.81 O ATOM 403 CB MET A 622 -11.371 -9.186 0.122 1.00 13.89 C ATOM 404 CG MET A 622 -11.003 -9.234 1.606 1.00 17.96 C ATOM 405 SD MET A 622 -9.556 -8.224 2.019 1.00 21.19 S ATOM 406 CE MET A 622 -8.237 -9.316 1.600 1.00 17.38 C ATOM 407 H MET A 622 -11.501 -11.777 -0.024 1.00 0.00 H ATOM 408 N LEU A 623 -12.540 -10.158 -2.658 1.00 13.31 N ATOM 409 CA LEU A 623 -12.934 -9.953 -4.070 1.00 13.21 C ATOM 410 C LEU A 623 -14.398 -10.344 -4.285 1.00 19.43 C ATOM 411 O LEU A 623 -15.129 -9.622 -4.968 1.00 20.88 O ATOM 412 CB LEU A 623 -12.048 -10.774 -5.013 1.00 12.60 C ATOM 413 CG LEU A 623 -10.627 -10.253 -5.190 1.00 17.51 C ATOM 414 CD1 LEU A 623 -9.751 -11.322 -5.795 1.00 16.90 C ATOM 415 CD2 LEU A 623 -10.603 -8.943 -6.010 1.00 19.80 C ATOM 416 H LEU A 623 -11.735 -10.788 -2.466 1.00 0.00 H ATOM 417 N GLN A 624 -14.817 -11.476 -3.687 1.00 16.88 N ATOM 418 CA GLN A 624 -16.201 -11.966 -3.751 1.00 17.95 C ATOM 419 C GLN A 624 -17.143 -11.022 -2.963 1.00 22.74 C ATOM 420 O GLN A 624 -18.189 -10.638 -3.489 1.00 23.06 O ATOM 421 CB GLN A 624 -16.284 -13.425 -3.250 1.00 20.17 C ATOM 422 CG GLN A 624 -17.704 -14.025 -3.076 1.00 31.81 C ATOM 423 CD GLN A 624 -18.491 -14.222 -4.355 1.00 47.99 C ATOM 424 OE1 GLN A 624 -17.963 -14.128 -5.471 1.00 36.40 O ATOM 425 NE2 GLN A 624 -19.790 -14.494 -4.222 1.00 41.95 N ATOM 426 HE22 GLN A 624 -20.211 -14.568 -3.274 1.00 0.00 H ATOM 427 HE21 GLN A 624 -20.381 -14.632 -5.066 1.00 0.00 H ATOM 428 H GLN A 624 -14.123 -12.034 -3.150 1.00 0.00 H ATOM 429 N ASP A 625 -16.756 -10.616 -1.736 1.00 18.87 N ATOM 430 CA ASP A 625 -17.571 -9.707 -0.914 1.00 18.98 C ATOM 431 C ASP A 625 -17.781 -8.340 -1.581 1.00 24.16 C ATOM 432 O ASP A 625 -18.839 -7.727 -1.417 1.00 26.32 O ATOM 433 CB ASP A 625 -16.981 -9.548 0.499 1.00 20.00 C ATOM 434 CG ASP A 625 -17.954 -8.870 1.449 1.00 26.52 C ATOM 435 OD1 ASP A 625 -19.077 -9.390 1.619 1.00 28.59 O ATOM 436 OD2 ASP A 625 -17.598 -7.809 2.005 1.00 30.49 O ATOM 437 H ASP A 625 -15.850 -10.957 -1.358 1.00 0.00 H ATOM 438 N MET A 626 -16.791 -7.893 -2.366 1.00 19.21 N ATOM 439 CA MET A 626 -16.870 -6.635 -3.096 1.00 17.95 C ATOM 440 C MET A 626 -17.611 -6.792 -4.437 1.00 20.28 C ATOM 441 O MET A 626 -17.788 -5.802 -5.168 1.00 19.16 O ATOM 442 CB MET A 626 -15.472 -6.054 -3.299 1.00 19.34 C ATOM 443 CG MET A 626 -14.793 -5.680 -2.008 1.00 22.94 C ATOM 444 SD MET A 626 -13.244 -4.815 -2.315 1.00 26.39 S ATOM 445 CE MET A 626 -12.179 -6.128 -2.505 1.00 22.38 C ATOM 446 H MET A 626 -15.930 -8.469 -2.458 1.00 0.00 H ATOM 447 N ASN A 627 -18.062 -8.025 -4.743 1.00 17.48 N ATOM 448 CA ASN A 627 -18.817 -8.401 -5.947 1.00 18.46 C ATOM 449 C ASN A 627 -18.016 -8.311 -7.245 1.00 21.61 C ATOM 450 O ASN A 627 -18.617 -8.335 -8.321 1.00 19.13 O ATOM 451 CB ASN A 627 -20.142 -7.585 -6.074 1.00 22.98 C ATOM 452 CG ASN A 627 -21.008 -7.563 -4.846 1.00 50.08 C ATOM 453 OD1 ASN A 627 -21.312 -6.503 -4.278 1.00 52.24 O ATOM 454 ND2 ASN A 627 -21.441 -8.728 -4.427 1.00 37.93 N ATOM 455 HD22 ASN A 627 -21.165 -9.596 -4.929 1.00 0.00 H ATOM 456 HD21 ASN A 627 -22.060 -8.783 -3.593 1.00 0.00 H ATOM 457 H ASN A 627 -17.856 -8.783 -4.062 1.00 0.00 H ATOM 458 N PHE A 628 -16.674 -8.247 -7.159 1.00 17.81 N ATOM 459 CA PHE A 628 -15.816 -8.144 -8.335 1.00 17.15 C ATOM 460 C PHE A 628 -15.808 -9.395 -9.192 1.00 19.48 C ATOM 461 O PHE A 628 -15.832 -9.278 -10.416 1.00 16.63 O ATOM 462 CB PHE A 628 -14.384 -7.718 -7.967 1.00 18.61 C ATOM 463 CG PHE A 628 -14.256 -6.310 -7.413 1.00 20.47 C ATOM 464 CD1 PHE A 628 -15.052 -5.278 -7.897 1.00 25.44 C ATOM 465 CD2 PHE A 628 -13.275 -6.001 -6.476 1.00 23.11 C ATOM 466 CE1 PHE A 628 -14.929 -3.978 -7.390 1.00 27.12 C ATOM 467 CE2 PHE A 628 -13.140 -4.700 -5.983 1.00 25.43 C ATOM 468 CZ PHE A 628 -13.978 -3.703 -6.433 1.00 24.81 C ATOM 469 H PHE A 628 -16.232 -8.272 -6.218 1.00 0.00 H ATOM 470 N ILE A 629 -15.804 -10.593 -8.562 1.00 17.34 N ATOM 471 CA ILE A 629 -15.792 -11.863 -9.292 1.00 16.95 C ATOM 472 C ILE A 629 -16.994 -11.942 -10.235 1.00 20.86 C ATOM 473 O ILE A 629 -16.814 -12.139 -11.428 1.00 19.14 O ATOM 474 CB ILE A 629 -15.658 -13.099 -8.357 1.00 20.11 C ATOM 475 CG1 ILE A 629 -14.363 -13.001 -7.494 1.00 20.70 C ATOM 476 CG2 ILE A 629 -15.729 -14.425 -9.170 1.00 22.11 C ATOM 477 CD1 ILE A 629 -14.174 -14.064 -6.406 1.00 23.50 C ATOM 478 H ILE A 629 -15.810 -10.613 -7.522 1.00 0.00 H ATOM 479 N ASN A 630 -18.198 -11.698 -9.708 1.00 19.17 N ATOM 480 CA ASN A 630 -19.440 -11.744 -10.470 1.00 19.84 C ATOM 481 C ASN A 630 -19.615 -10.557 -11.434 1.00 21.30 C ATOM 482 O ASN A 630 -19.947 -10.771 -12.605 1.00 20.53 O ATOM 483 CB ASN A 630 -20.636 -11.899 -9.534 1.00 26.62 C ATOM 484 CG ASN A 630 -20.712 -13.251 -8.844 1.00 71.14 C ATOM 485 OD1 ASN A 630 -20.430 -14.313 -9.425 1.00 68.50 O ATOM 486 ND2 ASN A 630 -21.123 -13.248 -7.581 1.00 68.95 N ATOM 487 HD22 ASN A 630 -21.354 -12.349 -7.112 1.00 0.00 H ATOM 488 HD21 ASN A 630 -21.213 -14.144 -7.061 1.00 0.00 H ATOM 489 H ASN A 630 -18.252 -11.462 -8.697 1.00 0.00 H ATOM 490 N ASN A 631 -19.353 -9.324 -10.968 1.00 17.48 N ATOM 491 CA ASN A 631 -19.500 -8.125 -11.804 1.00 18.00 C ATOM 492 C ASN A 631 -18.658 -8.199 -13.065 1.00 23.70 C ATOM 493 O ASN A 631 -19.157 -7.936 -14.168 1.00 24.48 O ATOM 494 CB ASN A 631 -19.140 -6.833 -11.036 1.00 13.42 C ATOM 495 CG ASN A 631 -19.688 -5.590 -11.685 1.00 21.50 C ATOM 496 OD1 ASN A 631 -20.797 -5.586 -12.207 1.00 19.23 O ATOM 497 ND2 ASN A 631 -18.970 -4.485 -11.611 1.00 19.82 N ATOM 498 HD22 ASN A 631 -18.031 -4.504 -11.165 1.00 0.00 H ATOM 499 HD21 ASN A 631 -19.344 -3.595 -11.999 1.00 0.00 H ATOM 500 H ASN A 631 -19.036 -9.215 -9.984 1.00 0.00 H ATOM 501 N TYR A 632 -17.395 -8.596 -12.905 1.00 18.56 N ATOM 502 CA TYR A 632 -16.482 -8.626 -14.025 1.00 18.48 C ATOM 503 C TYR A 632 -16.322 -9.998 -14.639 1.00 23.53 C ATOM 504 O TYR A 632 -15.551 -10.127 -15.581 1.00 23.42 O ATOM 505 CB TYR A 632 -15.146 -8.005 -13.647 1.00 18.33 C ATOM 506 CG TYR A 632 -15.271 -6.525 -13.381 1.00 20.05 C ATOM 507 CD1 TYR A 632 -15.547 -5.631 -14.416 1.00 22.24 C ATOM 508 CD2 TYR A 632 -15.207 -6.026 -12.087 1.00 20.81 C ATOM 509 CE1 TYR A 632 -15.744 -4.278 -14.168 1.00 22.23 C ATOM 510 CE2 TYR A 632 -15.382 -4.669 -11.829 1.00 21.81 C ATOM 511 CZ TYR A 632 -15.646 -3.800 -12.877 1.00 22.76 C ATOM 512 OH TYR A 632 -15.838 -2.476 -12.631 1.00 22.41 O ATOM 513 HH TYR A 632 -16.014 -2.005 -13.484 1.00 0.00 H ATOM 514 H TYR A 632 -17.063 -8.887 -11.963 1.00 0.00 H ATOM 515 N LYS A 633 -17.123 -10.990 -14.187 1.00 18.87 N ATOM 516 CA LYS A 633 -17.126 -12.373 -14.682 1.00 17.78 C ATOM 517 C LYS A 633 -15.708 -12.955 -14.776 1.00 21.35 C ATOM 518 O LYS A 633 -15.295 -13.497 -15.809 1.00 20.72 O ATOM 519 CB LYS A 633 -17.921 -12.510 -16.005 1.00 19.88 C ATOM 520 CG LYS A 633 -19.436 -12.283 -15.862 1.00 28.08 C ATOM 521 CD LYS A 633 -20.154 -13.406 -15.088 1.00 35.07 C ATOM 522 CE LYS A 633 -21.645 -13.239 -14.988 1.00 45.99 C ATOM 523 NZ LYS A 633 -22.033 -12.074 -14.154 1.00 45.82 N ATOM 524 HZ1 LYS A 633 -21.659 -12.198 -13.191 1.00 0.00 H ATOM 525 HZ2 LYS A 633 -21.641 -11.205 -14.570 1.00 0.00 H ATOM 526 HZ3 LYS A 633 -23.070 -12.005 -14.118 1.00 0.00 H ATOM 527 H LYS A 633 -17.792 -10.754 -13.426 1.00 0.00 H ATOM 528 N ILE A 634 -14.962 -12.837 -13.656 1.00 17.89 N ATOM 529 CA ILE A 634 -13.594 -13.334 -13.549 1.00 17.23 C ATOM 530 C ILE A 634 -13.663 -14.842 -13.485 1.00 21.14 C ATOM 531 O ILE A 634 -14.436 -15.378 -12.694 1.00 20.34 O ATOM 532 CB ILE A 634 -12.826 -12.737 -12.322 1.00 19.77 C ATOM 533 CG1 ILE A 634 -12.959 -11.182 -12.228 1.00 20.89 C ATOM 534 CG2 ILE A 634 -11.347 -13.196 -12.308 1.00 20.10 C ATOM 535 CD1 ILE A 634 -12.491 -10.368 -13.441 1.00 27.34 C ATOM 536 H ILE A 634 -15.384 -12.369 -12.829 1.00 0.00 H ATOM 537 N ASP A 635 -12.882 -15.519 -14.343 1.00 19.44 N ATOM 538 CA ASP A 635 -12.800 -16.979 -14.393 1.00 20.70 C ATOM 539 C ASP A 635 -12.114 -17.427 -13.090 1.00 27.67 C ATOM 540 O ASP A 635 -11.095 -16.855 -12.737 1.00 24.47 O ATOM 541 CB ASP A 635 -11.984 -17.382 -15.635 1.00 22.10 C ATOM 542 CG ASP A 635 -11.750 -18.860 -15.771 1.00 29.34 C ATOM 543 OD1 ASP A 635 -12.727 -19.594 -16.056 1.00 28.01 O ATOM 544 OD2 ASP A 635 -10.589 -19.291 -15.589 1.00 29.83 O ATOM 545 H ASP A 635 -12.301 -14.973 -15.011 1.00 0.00 H ATOM 546 N CYS A 636 -12.700 -18.375 -12.343 1.00 29.76 N ATOM 547 CA CYS A 636 -12.133 -18.820 -11.059 1.00 32.18 C ATOM 548 C CYS A 636 -10.772 -19.527 -11.194 1.00 28.71 C ATOM 549 O CYS A 636 -9.864 -19.132 -10.459 1.00 25.72 O ATOM 550 CB CYS A 636 -13.129 -19.650 -10.265 1.00 36.84 C ATOM 551 SG CYS A 636 -14.465 -18.663 -9.566 1.00 43.15 S ATOM 552 H CYS A 636 -13.582 -18.809 -12.681 1.00 0.00 H ATOM 553 N PRO A 637 -10.552 -20.479 -12.140 1.00 23.54 N ATOM 554 CA PRO A 637 -9.199 -21.043 -12.296 1.00 22.80 C ATOM 555 C PRO A 637 -8.158 -19.939 -12.545 1.00 23.08 C ATOM 556 O PRO A 637 -7.094 -19.938 -11.913 1.00 21.53 O ATOM 557 CB PRO A 637 -9.342 -21.977 -13.512 1.00 25.28 C ATOM 558 CG PRO A 637 -10.761 -22.339 -13.554 1.00 29.94 C ATOM 559 CD PRO A 637 -11.495 -21.109 -13.095 1.00 25.71 C ATOM 560 N THR A 638 -8.489 -18.965 -13.414 1.00 17.60 N ATOM 561 CA THR A 638 -7.588 -17.836 -13.694 1.00 15.82 C ATOM 562 C THR A 638 -7.308 -17.002 -12.443 1.00 18.14 C ATOM 563 O THR A 638 -6.149 -16.642 -12.197 1.00 15.53 O ATOM 564 CB THR A 638 -8.133 -17.002 -14.866 1.00 21.55 C ATOM 565 OG1 THR A 638 -8.386 -17.886 -15.968 1.00 19.45 O ATOM 566 CG2 THR A 638 -7.156 -15.944 -15.318 1.00 18.27 C ATOM 567 HG1 THR A 638 -9.051 -18.567 -15.697 1.00 0.00 H ATOM 568 H THR A 638 -9.407 -19.012 -13.901 1.00 0.00 H ATOM 569 N LEU A 639 -8.359 -16.665 -11.665 1.00 15.65 N ATOM 570 CA LEU A 639 -8.207 -15.822 -10.470 1.00 15.35 C ATOM 571 C LEU A 639 -7.352 -16.497 -9.395 1.00 18.68 C ATOM 572 O LEU A 639 -6.478 -15.859 -8.805 1.00 16.61 O ATOM 573 CB LEU A 639 -9.583 -15.398 -9.920 1.00 14.92 C ATOM 574 CG LEU A 639 -9.576 -14.411 -8.745 1.00 19.09 C ATOM 575 CD1 LEU A 639 -8.835 -13.075 -9.098 1.00 19.15 C ATOM 576 CD2 LEU A 639 -10.985 -14.174 -8.279 1.00 18.08 C ATOM 577 H LEU A 639 -9.306 -17.013 -11.919 1.00 0.00 H ATOM 578 N ALA A 640 -7.598 -17.791 -9.170 1.00 15.04 N ATOM 579 CA ALA A 640 -6.842 -18.607 -8.218 1.00 14.44 C ATOM 580 C ALA A 640 -5.344 -18.607 -8.623 1.00 19.08 C ATOM 581 O ALA A 640 -4.500 -18.347 -7.772 1.00 20.15 O ATOM 582 CB ALA A 640 -7.402 -20.026 -8.222 1.00 14.85 C ATOM 583 H ALA A 640 -8.369 -18.244 -9.701 1.00 0.00 H ATOM 584 N ARG A 641 -5.033 -18.824 -9.938 1.00 16.18 N ATOM 585 CA ARG A 641 -3.649 -18.807 -10.451 1.00 16.60 C ATOM 586 C ARG A 641 -3.028 -17.422 -10.287 1.00 16.01 C ATOM 587 O ARG A 641 -1.904 -17.319 -9.798 1.00 14.99 O ATOM 588 CB ARG A 641 -3.544 -19.280 -11.912 1.00 19.91 C ATOM 589 CG ARG A 641 -3.416 -20.799 -12.048 1.00 35.39 C ATOM 590 CD ARG A 641 -3.106 -21.293 -13.456 1.00 44.08 C ATOM 591 NE ARG A 641 -4.098 -20.849 -14.440 1.00 50.97 N ATOM 592 CZ ARG A 641 -5.192 -21.524 -14.781 1.00 55.68 C ATOM 593 NH1 ARG A 641 -5.451 -22.703 -14.232 1.00 44.19 N ATOM 594 NH2 ARG A 641 -6.032 -21.026 -15.674 1.00 33.35 N ATOM 595 HE ARG A 641 -3.933 -19.935 -14.908 1.00 0.00 H ATOM 596 HH12 ARG A 641 -6.308 -23.226 -14.503 1.00 0.00 H ATOM 597 HH11 ARG A 641 -4.797 -23.105 -13.530 1.00 0.00 H ATOM 598 HH22 ARG A 641 -6.886 -21.558 -15.937 1.00 0.00 H ATOM 599 HH21 ARG A 641 -5.838 -20.103 -16.112 1.00 0.00 H ATOM 600 H ARG A 641 -5.808 -19.009 -10.607 1.00 0.00 H ATOM 601 N PHE A 642 -3.779 -16.360 -10.627 1.00 11.51 N ATOM 602 CA PHE A 642 -3.295 -14.980 -10.495 1.00 12.13 C ATOM 603 C PHE A 642 -2.898 -14.663 -9.051 1.00 17.45 C ATOM 604 O PHE A 642 -1.785 -14.171 -8.824 1.00 16.46 O ATOM 605 CB PHE A 642 -4.356 -13.988 -10.999 1.00 13.86 C ATOM 606 CG PHE A 642 -3.983 -12.540 -10.810 1.00 14.76 C ATOM 607 CD1 PHE A 642 -3.214 -11.877 -11.758 1.00 16.80 C ATOM 608 CD2 PHE A 642 -4.427 -11.824 -9.692 1.00 15.98 C ATOM 609 CE1 PHE A 642 -2.873 -10.530 -11.590 1.00 18.18 C ATOM 610 CE2 PHE A 642 -4.094 -10.474 -9.528 1.00 17.17 C ATOM 611 CZ PHE A 642 -3.312 -9.838 -10.475 1.00 16.56 C ATOM 612 H PHE A 642 -4.737 -16.522 -10.997 1.00 0.00 H ATOM 613 N CYS A 643 -3.802 -14.936 -8.081 1.00 16.56 N ATOM 614 CA CYS A 643 -3.566 -14.662 -6.659 1.00 16.79 C ATOM 615 C CYS A 643 -2.317 -15.367 -6.153 1.00 19.09 C ATOM 616 O CYS A 643 -1.513 -14.752 -5.443 1.00 17.77 O ATOM 617 CB CYS A 643 -4.794 -15.000 -5.818 1.00 18.19 C ATOM 618 SG CYS A 643 -6.222 -13.923 -6.148 1.00 22.61 S ATOM 619 H CYS A 643 -4.710 -15.361 -8.358 1.00 0.00 H ATOM 620 N LEU A 644 -2.128 -16.638 -6.551 1.00 14.61 N ATOM 621 CA LEU A 644 -0.952 -17.417 -6.133 1.00 14.96 C ATOM 622 C LEU A 644 0.335 -16.913 -6.779 1.00 18.00 C ATOM 623 O LEU A 644 1.366 -16.866 -6.103 1.00 16.86 O ATOM 624 CB LEU A 644 -1.145 -18.925 -6.399 1.00 15.92 C ATOM 625 CG LEU A 644 -2.228 -19.584 -5.553 1.00 20.35 C ATOM 626 CD1 LEU A 644 -2.537 -20.951 -6.083 1.00 20.88 C ATOM 627 CD2 LEU A 644 -1.835 -19.614 -4.051 1.00 20.10 C ATOM 628 H LEU A 644 -2.834 -17.083 -7.172 1.00 0.00 H ATOM 629 N MET A 645 0.258 -16.488 -8.050 1.00 15.64 N ATOM 630 CA MET A 645 1.377 -15.920 -8.791 1.00 18.16 C ATOM 631 C MET A 645 1.795 -14.570 -8.203 1.00 17.34 C ATOM 632 O MET A 645 2.980 -14.274 -8.187 1.00 16.21 O ATOM 633 CB MET A 645 1.018 -15.746 -10.267 1.00 22.25 C ATOM 634 CG MET A 645 1.111 -17.023 -11.051 1.00 30.13 C ATOM 635 SD MET A 645 2.749 -17.281 -11.721 1.00 38.26 S ATOM 636 CE MET A 645 2.804 -15.864 -12.923 1.00 33.62 C ATOM 637 H MET A 645 -0.658 -16.569 -8.536 1.00 0.00 H ATOM 638 N VAL A 646 0.832 -13.745 -7.748 1.00 14.38 N ATOM 639 CA VAL A 646 1.123 -12.445 -7.119 1.00 12.84 C ATOM 640 C VAL A 646 1.867 -12.686 -5.800 1.00 15.22 C ATOM 641 O VAL A 646 2.928 -12.095 -5.568 1.00 13.85 O ATOM 642 CB VAL A 646 -0.138 -11.555 -6.957 1.00 14.98 C ATOM 643 CG1 VAL A 646 0.147 -10.356 -6.049 1.00 14.83 C ATOM 644 CG2 VAL A 646 -0.615 -11.073 -8.316 1.00 13.69 C ATOM 645 H VAL A 646 -0.161 -14.039 -7.845 1.00 0.00 H ATOM 646 N LYS A 647 1.356 -13.610 -4.979 1.00 12.72 N ATOM 647 CA LYS A 647 1.982 -13.983 -3.706 1.00 13.75 C ATOM 648 C LYS A 647 3.423 -14.482 -3.921 1.00 18.25 C ATOM 649 O LYS A 647 4.332 -14.057 -3.204 1.00 18.34 O ATOM 650 CB LYS A 647 1.128 -15.044 -2.999 1.00 16.97 C ATOM 651 CG LYS A 647 1.600 -15.432 -1.610 1.00 25.52 C ATOM 652 CD LYS A 647 0.551 -16.309 -0.951 1.00 31.62 C ATOM 653 CE LYS A 647 0.930 -16.684 0.457 1.00 35.29 C ATOM 654 NZ LYS A 647 1.955 -17.758 0.485 1.00 37.21 N ATOM 655 HZ1 LYS A 647 1.581 -18.605 0.010 1.00 0.00 H ATOM 656 HZ2 LYS A 647 2.811 -17.432 -0.008 1.00 0.00 H ATOM 657 HZ3 LYS A 647 2.188 -17.987 1.472 1.00 0.00 H ATOM 658 H LYS A 647 0.474 -14.086 -5.256 1.00 0.00 H ATOM 659 N LYS A 648 3.631 -15.358 -4.922 1.00 15.44 N ATOM 660 CA LYS A 648 4.943 -15.918 -5.282 1.00 14.43 C ATOM 661 C LYS A 648 5.899 -14.822 -5.844 1.00 17.05 C ATOM 662 O LYS A 648 7.112 -14.993 -5.830 1.00 18.48 O ATOM 663 CB LYS A 648 4.752 -17.045 -6.312 1.00 15.81 C ATOM 664 CG LYS A 648 5.977 -17.902 -6.599 1.00 37.84 C ATOM 665 CD LYS A 648 5.742 -18.807 -7.802 1.00 47.42 C ATOM 666 CE LYS A 648 6.986 -19.580 -8.169 1.00 57.54 C ATOM 667 NZ LYS A 648 6.792 -20.381 -9.402 1.00 65.20 N ATOM 668 HZ1 LYS A 648 6.017 -21.059 -9.255 1.00 0.00 H ATOM 669 HZ2 LYS A 648 6.555 -19.747 -10.192 1.00 0.00 H ATOM 670 HZ3 LYS A 648 7.668 -20.897 -9.620 1.00 0.00 H ATOM 671 H LYS A 648 2.807 -15.660 -5.480 1.00 0.00 H ATOM 672 N GLY A 649 5.329 -13.727 -6.342 1.00 14.43 N ATOM 673 CA GLY A 649 6.075 -12.609 -6.900 1.00 14.36 C ATOM 674 C GLY A 649 6.750 -11.711 -5.880 1.00 15.95 C ATOM 675 O GLY A 649 7.493 -10.813 -6.264 1.00 15.28 O ATOM 676 H GLY A 649 4.291 -13.667 -6.332 1.00 0.00 H ATOM 677 N TYR A 650 6.460 -11.912 -4.586 1.00 12.55 N ATOM 678 CA TYR A 650 7.088 -11.175 -3.487 1.00 11.71 C ATOM 679 C TYR A 650 8.245 -11.969 -2.900 1.00 16.98 C ATOM 680 O TYR A 650 8.144 -13.172 -2.709 1.00 16.13 O ATOM 681 CB TYR A 650 6.087 -10.836 -2.368 1.00 10.87 C ATOM 682 CG TYR A 650 5.200 -9.682 -2.751 1.00 10.70 C ATOM 683 CD1 TYR A 650 5.595 -8.363 -2.514 1.00 12.00 C ATOM 684 CD2 TYR A 650 4.015 -9.891 -3.448 1.00 10.30 C ATOM 685 CE1 TYR A 650 4.787 -7.286 -2.906 1.00 10.47 C ATOM 686 CE2 TYR A 650 3.222 -8.825 -3.863 1.00 9.16 C ATOM 687 CZ TYR A 650 3.625 -7.523 -3.618 1.00 12.17 C ATOM 688 OH TYR A 650 2.849 -6.462 -4.052 1.00 8.85 O ATOM 689 HH TYR A 650 1.953 -6.517 -3.634 1.00 0.00 H ATOM 690 H TYR A 650 5.748 -12.633 -4.349 1.00 0.00 H ATOM 691 N ARG A 651 9.333 -11.279 -2.565 1.00 14.22 N ATOM 692 CA ARG A 651 10.482 -11.895 -1.949 1.00 15.31 C ATOM 693 C ARG A 651 10.286 -11.785 -0.440 1.00 18.29 C ATOM 694 O ARG A 651 9.211 -11.378 0.031 1.00 17.47 O ATOM 695 CB ARG A 651 11.762 -11.185 -2.406 1.00 14.47 C ATOM 696 CG ARG A 651 12.017 -11.355 -3.899 1.00 15.11 C ATOM 697 CD ARG A 651 13.389 -10.879 -4.230 1.00 19.82 C ATOM 698 NE ARG A 651 13.504 -10.586 -5.651 1.00 18.97 N ATOM 699 CZ ARG A 651 14.656 -10.504 -6.289 1.00 25.85 C ATOM 700 NH1 ARG A 651 15.799 -10.691 -5.635 1.00 14.85 N ATOM 701 NH2 ARG A 651 14.682 -10.211 -7.580 1.00 21.70 N ATOM 702 HE ARG A 651 12.630 -10.433 -6.193 1.00 0.00 H ATOM 703 HH12 ARG A 651 16.705 -10.625 -6.142 1.00 0.00 H ATOM 704 HH11 ARG A 651 15.787 -10.903 -4.617 1.00 0.00 H ATOM 705 HH22 ARG A 651 15.591 -10.147 -8.080 1.00 0.00 H ATOM 706 HH21 ARG A 651 13.793 -10.045 -8.094 1.00 0.00 H ATOM 707 H ARG A 651 9.355 -10.257 -2.755 1.00 0.00 H ATOM 708 N ASP A 652 11.298 -12.130 0.320 1.00 14.91 N ATOM 709 CA ASP A 652 11.153 -12.072 1.763 1.00 16.30 C ATOM 710 C ASP A 652 12.023 -10.996 2.463 1.00 19.38 C ATOM 711 O ASP A 652 12.630 -11.332 3.487 1.00 17.90 O ATOM 712 CB ASP A 652 11.383 -13.466 2.372 1.00 20.64 C ATOM 713 CG ASP A 652 10.751 -13.656 3.744 1.00 44.62 C ATOM 714 OD1 ASP A 652 9.619 -13.154 3.955 1.00 47.03 O ATOM 715 OD2 ASP A 652 11.381 -14.316 4.600 1.00 58.10 O ATOM 716 H ASP A 652 12.194 -12.441 -0.107 1.00 0.00 H ATOM 717 N PRO A 653 12.063 -9.686 2.036 1.00 16.32 N ATOM 718 CA PRO A 653 12.801 -8.707 2.848 1.00 15.37 C ATOM 719 C PRO A 653 12.004 -8.470 4.145 1.00 16.94 C ATOM 720 O PRO A 653 10.852 -8.916 4.215 1.00 13.65 O ATOM 721 CB PRO A 653 12.876 -7.472 1.947 1.00 17.37 C ATOM 722 CG PRO A 653 11.630 -7.547 1.132 1.00 20.37 C ATOM 723 CD PRO A 653 11.380 -9.021 0.903 1.00 16.51 C ATOM 724 N PRO A 654 12.543 -7.811 5.186 1.00 12.81 N ATOM 725 CA PRO A 654 11.754 -7.691 6.427 1.00 12.79 C ATOM 726 C PRO A 654 10.411 -6.992 6.303 1.00 14.54 C ATOM 727 O PRO A 654 9.463 -7.401 6.962 1.00 11.91 O ATOM 728 CB PRO A 654 12.686 -6.954 7.402 1.00 15.03 C ATOM 729 CG PRO A 654 14.059 -7.114 6.835 1.00 18.56 C ATOM 730 CD PRO A 654 13.894 -7.224 5.338 1.00 13.50 C ATOM 731 N TYR A 655 10.324 -5.948 5.480 1.00 13.32 N ATOM 732 CA TYR A 655 9.078 -5.220 5.377 1.00 13.13 C ATOM 733 C TYR A 655 8.342 -5.419 4.047 1.00 14.59 C ATOM 734 O TYR A 655 7.159 -5.744 4.067 1.00 12.36 O ATOM 735 CB TYR A 655 9.310 -3.718 5.671 1.00 14.47 C ATOM 736 CG TYR A 655 8.036 -2.896 5.607 1.00 16.61 C ATOM 737 CD1 TYR A 655 7.077 -2.978 6.616 1.00 20.56 C ATOM 738 CD2 TYR A 655 7.767 -2.070 4.518 1.00 17.01 C ATOM 739 CE1 TYR A 655 5.884 -2.259 6.546 1.00 20.51 C ATOM 740 CE2 TYR A 655 6.582 -1.333 4.441 1.00 17.29 C ATOM 741 CZ TYR A 655 5.650 -1.419 5.466 1.00 23.48 C ATOM 742 OH TYR A 655 4.493 -0.676 5.429 1.00 22.99 O ATOM 743 HH TYR A 655 3.954 -0.866 6.238 1.00 0.00 H ATOM 744 H TYR A 655 11.147 -5.658 4.915 1.00 0.00 H ATOM 745 N HIS A 656 9.016 -5.204 2.906 1.00 12.78 N ATOM 746 CA HIS A 656 8.374 -5.252 1.574 1.00 13.01 C ATOM 747 C HIS A 656 8.150 -6.677 1.051 1.00 16.60 C ATOM 748 O HIS A 656 8.683 -7.092 0.022 1.00 15.16 O ATOM 749 CB HIS A 656 9.143 -4.386 0.591 1.00 13.57 C ATOM 750 CG HIS A 656 8.996 -2.921 0.870 1.00 16.33 C ATOM 751 ND1 HIS A 656 10.037 -2.189 1.404 1.00 18.26 N ATOM 752 CD2 HIS A 656 7.928 -2.104 0.701 1.00 18.12 C ATOM 753 CE1 HIS A 656 9.591 -0.946 1.515 1.00 18.18 C ATOM 754 NE2 HIS A 656 8.326 -0.847 1.121 1.00 18.11 N ATOM 755 H HIS A 656 10.033 -4.995 2.961 1.00 0.00 H ATOM 756 N ASN A 657 7.343 -7.426 1.793 1.00 13.85 N ATOM 757 CA ASN A 657 7.045 -8.823 1.488 1.00 13.96 C ATOM 758 C ASN A 657 5.546 -9.000 1.210 1.00 15.64 C ATOM 759 O ASN A 657 4.797 -8.010 1.183 1.00 13.17 O ATOM 760 CB ASN A 657 7.518 -9.704 2.657 1.00 15.84 C ATOM 761 CG ASN A 657 7.042 -9.237 4.008 1.00 26.39 C ATOM 762 OD1 ASN A 657 5.861 -8.934 4.200 1.00 12.94 O ATOM 763 ND2 ASN A 657 7.946 -9.115 4.966 1.00 17.91 N ATOM 764 HD22 ASN A 657 8.936 -9.376 4.783 1.00 0.00 H ATOM 765 HD21 ASN A 657 7.667 -8.758 5.902 1.00 0.00 H ATOM 766 H ASN A 657 6.902 -6.997 2.632 1.00 0.00 H ATOM 767 N TRP A 658 5.095 -10.250 1.017 1.00 12.71 N ATOM 768 CA TRP A 658 3.686 -10.501 0.720 1.00 11.73 C ATOM 769 C TRP A 658 2.752 -10.061 1.841 1.00 16.41 C ATOM 770 O TRP A 658 1.670 -9.567 1.543 1.00 15.19 O ATOM 771 CB TRP A 658 3.425 -11.973 0.312 1.00 10.85 C ATOM 772 CG TRP A 658 1.971 -12.353 0.331 1.00 12.74 C ATOM 773 CD1 TRP A 658 1.350 -13.176 1.226 1.00 15.81 C ATOM 774 CD2 TRP A 658 0.937 -11.835 -0.522 1.00 12.68 C ATOM 775 NE1 TRP A 658 -0.006 -13.203 0.988 1.00 14.78 N ATOM 776 CE2 TRP A 658 -0.288 -12.399 -0.085 1.00 16.59 C ATOM 777 CE3 TRP A 658 0.921 -10.932 -1.596 1.00 13.73 C ATOM 778 CZ2 TRP A 658 -1.507 -12.112 -0.704 1.00 15.83 C ATOM 779 CZ3 TRP A 658 -0.295 -10.644 -2.208 1.00 14.98 C ATOM 780 CH2 TRP A 658 -1.486 -11.234 -1.767 1.00 16.12 C ATOM 781 HE1 TRP A 658 -0.704 -13.746 1.535 1.00 0.00 H ATOM 782 H TRP A 658 5.757 -11.050 1.080 1.00 0.00 H ATOM 783 N MET A 659 3.172 -10.190 3.125 1.00 14.10 N ATOM 784 CA MET A 659 2.314 -9.767 4.245 1.00 13.51 C ATOM 785 C MET A 659 2.012 -8.258 4.221 1.00 16.38 C ATOM 786 O MET A 659 0.908 -7.856 4.590 1.00 16.96 O ATOM 787 CB MET A 659 2.852 -10.225 5.606 1.00 16.00 C ATOM 788 CG MET A 659 2.628 -11.724 5.871 1.00 19.91 C ATOM 789 SD MET A 659 0.931 -12.322 5.561 1.00 23.82 S ATOM 790 CE MET A 659 0.007 -11.348 6.818 1.00 20.94 C ATOM 791 H MET A 659 4.111 -10.592 3.321 1.00 0.00 H ATOM 792 N HIS A 660 2.960 -7.445 3.717 1.00 11.09 N ATOM 793 CA HIS A 660 2.754 -6.010 3.502 1.00 10.74 C ATOM 794 C HIS A 660 1.714 -5.819 2.381 1.00 13.06 C ATOM 795 O HIS A 660 0.780 -5.051 2.572 1.00 13.22 O ATOM 796 CB HIS A 660 4.073 -5.312 3.094 1.00 10.47 C ATOM 797 CG HIS A 660 3.882 -3.916 2.579 1.00 12.86 C ATOM 798 ND1 HIS A 660 3.302 -2.935 3.355 1.00 13.54 N ATOM 799 CD2 HIS A 660 4.193 -3.394 1.368 1.00 14.27 C ATOM 800 CE1 HIS A 660 3.309 -1.834 2.614 1.00 13.23 C ATOM 801 NE2 HIS A 660 3.812 -2.063 1.396 1.00 13.60 N ATOM 802 H HIS A 660 3.883 -7.855 3.468 1.00 0.00 H ATOM 803 N ALA A 661 1.859 -6.518 1.241 1.00 11.75 N ATOM 804 CA ALA A 661 0.916 -6.405 0.120 1.00 12.67 C ATOM 805 C ALA A 661 -0.479 -6.838 0.546 1.00 14.73 C ATOM 806 O ALA A 661 -1.460 -6.165 0.214 1.00 12.78 O ATOM 807 CB ALA A 661 1.373 -7.218 -1.073 1.00 13.20 C ATOM 808 H ALA A 661 2.670 -7.163 1.150 1.00 0.00 H ATOM 809 N PHE A 662 -0.562 -7.917 1.324 1.00 12.43 N ATOM 810 CA PHE A 662 -1.859 -8.419 1.801 1.00 12.66 C ATOM 811 C PHE A 662 -2.522 -7.393 2.746 1.00 17.16 C ATOM 812 O PHE A 662 -3.733 -7.176 2.641 1.00 16.59 O ATOM 813 CB PHE A 662 -1.721 -9.789 2.508 1.00 13.53 C ATOM 814 CG PHE A 662 -3.002 -10.241 3.167 1.00 15.06 C ATOM 815 CD1 PHE A 662 -4.062 -10.723 2.403 1.00 16.66 C ATOM 816 CD2 PHE A 662 -3.175 -10.123 4.552 1.00 16.69 C ATOM 817 CE1 PHE A 662 -5.273 -11.074 3.002 1.00 18.06 C ATOM 818 CE2 PHE A 662 -4.384 -10.488 5.155 1.00 19.14 C ATOM 819 CZ PHE A 662 -5.425 -10.957 4.375 1.00 17.55 C ATOM 820 H PHE A 662 0.309 -8.414 1.599 1.00 0.00 H ATOM 821 N SER A 663 -1.750 -6.824 3.689 1.00 14.43 N ATOM 822 CA SER A 663 -2.267 -5.821 4.645 1.00 13.96 C ATOM 823 C SER A 663 -2.716 -4.538 3.932 1.00 16.09 C ATOM 824 O SER A 663 -3.716 -3.956 4.322 1.00 14.80 O ATOM 825 CB SER A 663 -1.282 -5.549 5.780 1.00 16.90 C ATOM 826 OG SER A 663 -0.035 -5.073 5.314 1.00 31.25 O ATOM 827 HG SER A 663 0.371 -5.747 4.713 1.00 0.00 H ATOM 828 H SER A 663 -0.749 -7.100 3.748 1.00 0.00 H ATOM 829 N VAL A 664 -1.990 -4.121 2.877 1.00 13.45 N ATOM 830 CA VAL A 664 -2.330 -2.953 2.045 1.00 13.88 C ATOM 831 C VAL A 664 -3.660 -3.233 1.313 1.00 17.76 C ATOM 832 O VAL A 664 -4.562 -2.385 1.319 1.00 18.39 O ATOM 833 CB VAL A 664 -1.159 -2.593 1.070 1.00 16.81 C ATOM 834 CG1 VAL A 664 -1.575 -1.565 0.021 1.00 16.71 C ATOM 835 CG2 VAL A 664 0.048 -2.077 1.849 1.00 16.67 C ATOM 836 H VAL A 664 -1.133 -4.658 2.634 1.00 0.00 H ATOM 837 N SER A 665 -3.806 -4.455 0.752 1.00 15.16 N ATOM 838 CA SER A 665 -5.032 -4.907 0.056 1.00 12.66 C ATOM 839 C SER A 665 -6.213 -4.942 1.003 1.00 15.62 C ATOM 840 O SER A 665 -7.287 -4.439 0.661 1.00 14.35 O ATOM 841 CB SER A 665 -4.826 -6.274 -0.580 1.00 13.75 C ATOM 842 OG SER A 665 -3.822 -6.164 -1.572 1.00 16.82 O ATOM 843 HG SER A 665 -2.979 -5.856 -1.154 1.00 0.00 H ATOM 844 H SER A 665 -3.007 -5.118 0.813 1.00 0.00 H ATOM 845 N HIS A 666 -5.998 -5.462 2.227 1.00 12.19 N ATOM 846 CA HIS A 666 -7.044 -5.519 3.246 1.00 12.49 C ATOM 847 C HIS A 666 -7.532 -4.100 3.585 1.00 15.08 C ATOM 848 O HIS A 666 -8.729 -3.915 3.753 1.00 15.88 O ATOM 849 CB HIS A 666 -6.549 -6.230 4.515 1.00 13.06 C ATOM 850 CG HIS A 666 -7.600 -6.260 5.579 1.00 16.88 C ATOM 851 ND1 HIS A 666 -7.606 -5.343 6.619 1.00 19.33 N ATOM 852 CD2 HIS A 666 -8.704 -7.029 5.665 1.00 19.19 C ATOM 853 CE1 HIS A 666 -8.681 -5.621 7.342 1.00 19.37 C ATOM 854 NE2 HIS A 666 -9.377 -6.625 6.808 1.00 19.94 N ATOM 855 H HIS A 666 -5.055 -5.836 2.455 1.00 0.00 H ATOM 856 N PHE A 667 -6.617 -3.108 3.672 1.00 13.21 N ATOM 857 CA PHE A 667 -7.029 -1.736 3.965 1.00 12.27 C ATOM 858 C PHE A 667 -7.872 -1.146 2.838 1.00 17.01 C ATOM 859 O PHE A 667 -8.838 -0.443 3.126 1.00 17.72 O ATOM 860 CB PHE A 667 -5.857 -0.836 4.320 1.00 12.44 C ATOM 861 CG PHE A 667 -6.290 0.479 4.938 1.00 14.98 C ATOM 862 CD1 PHE A 667 -6.621 0.559 6.291 1.00 18.30 C ATOM 863 CD2 PHE A 667 -6.312 1.645 4.185 1.00 18.15 C ATOM 864 CE1 PHE A 667 -6.959 1.786 6.873 1.00 19.99 C ATOM 865 CE2 PHE A 667 -6.644 2.871 4.769 1.00 22.16 C ATOM 866 CZ PHE A 667 -6.992 2.932 6.102 1.00 20.45 C ATOM 867 H PHE A 667 -5.610 -3.323 3.529 1.00 0.00 H ATOM 868 N CYS A 668 -7.549 -1.459 1.571 1.00 15.41 N ATOM 869 CA CYS A 668 -8.366 -1.027 0.422 1.00 16.10 C ATOM 870 C CYS A 668 -9.796 -1.576 0.596 1.00 17.43 C ATOM 871 O CYS A 668 -10.770 -0.835 0.426 1.00 15.31 O ATOM 872 CB CYS A 668 -7.757 -1.480 -0.900 1.00 16.69 C ATOM 873 SG CYS A 668 -8.786 -1.106 -2.343 1.00 21.09 S ATOM 874 H CYS A 668 -6.694 -2.025 1.395 1.00 0.00 H ATOM 875 N TYR A 669 -9.903 -2.854 0.997 1.00 14.09 N ATOM 876 CA TYR A 669 -11.173 -3.511 1.289 1.00 14.21 C ATOM 877 C TYR A 669 -11.912 -2.791 2.428 1.00 18.41 C ATOM 878 O TYR A 669 -13.116 -2.563 2.302 1.00 18.63 O ATOM 879 CB TYR A 669 -10.953 -4.999 1.585 1.00 15.70 C ATOM 880 CG TYR A 669 -12.160 -5.708 2.162 1.00 18.12 C ATOM 881 CD1 TYR A 669 -13.217 -6.105 1.345 1.00 20.90 C ATOM 882 CD2 TYR A 669 -12.233 -6.007 3.520 1.00 19.57 C ATOM 883 CE1 TYR A 669 -14.330 -6.760 1.869 1.00 23.02 C ATOM 884 CE2 TYR A 669 -13.345 -6.650 4.060 1.00 20.87 C ATOM 885 CZ TYR A 669 -14.391 -7.033 3.228 1.00 26.61 C ATOM 886 OH TYR A 669 -15.494 -7.672 3.745 1.00 26.36 O ATOM 887 HH TYR A 669 -16.133 -7.868 3.015 1.00 0.00 H ATOM 888 H TYR A 669 -9.029 -3.408 1.106 1.00 0.00 H ATOM 889 N LEU A 670 -11.196 -2.405 3.512 1.00 14.57 N ATOM 890 CA LEU A 670 -11.755 -1.625 4.628 1.00 15.43 C ATOM 891 C LEU A 670 -12.322 -0.289 4.157 1.00 21.83 C ATOM 892 O LEU A 670 -13.389 0.122 4.631 1.00 22.36 O ATOM 893 CB LEU A 670 -10.709 -1.347 5.724 1.00 14.20 C ATOM 894 CG LEU A 670 -10.267 -2.528 6.583 1.00 18.45 C ATOM 895 CD1 LEU A 670 -9.412 -2.062 7.733 1.00 17.87 C ATOM 896 CD2 LEU A 670 -11.449 -3.293 7.121 1.00 24.01 C ATOM 897 H LEU A 670 -10.193 -2.676 3.558 1.00 0.00 H ATOM 898 N LEU A 671 -11.602 0.400 3.246 1.00 19.34 N ATOM 899 CA LEU A 671 -12.050 1.680 2.689 1.00 19.21 C ATOM 900 C LEU A 671 -13.358 1.471 1.928 1.00 22.68 C ATOM 901 O LEU A 671 -14.302 2.222 2.134 1.00 21.43 O ATOM 902 CB LEU A 671 -10.976 2.334 1.802 1.00 18.17 C ATOM 903 CG LEU A 671 -9.664 2.783 2.517 1.00 21.60 C ATOM 904 CD1 LEU A 671 -8.665 3.352 1.529 1.00 21.62 C ATOM 905 CD2 LEU A 671 -9.931 3.786 3.633 1.00 25.15 C ATOM 906 H LEU A 671 -10.694 0.007 2.927 1.00 0.00 H ATOM 907 N TYR A 672 -13.436 0.411 1.111 1.00 20.38 N ATOM 908 CA TYR A 672 -14.652 0.051 0.383 1.00 20.13 C ATOM 909 C TYR A 672 -15.830 -0.191 1.361 1.00 26.38 C ATOM 910 O TYR A 672 -16.913 0.369 1.169 1.00 26.45 O ATOM 911 CB TYR A 672 -14.401 -1.205 -0.490 1.00 20.33 C ATOM 912 CG TYR A 672 -15.637 -1.728 -1.188 1.00 22.70 C ATOM 913 CD1 TYR A 672 -16.014 -1.243 -2.442 1.00 24.88 C ATOM 914 CD2 TYR A 672 -16.433 -2.704 -0.599 1.00 23.17 C ATOM 915 CE1 TYR A 672 -17.151 -1.717 -3.089 1.00 26.16 C ATOM 916 CE2 TYR A 672 -17.587 -3.166 -1.224 1.00 24.45 C ATOM 917 CZ TYR A 672 -17.935 -2.681 -2.477 1.00 31.27 C ATOM 918 OH TYR A 672 -19.051 -3.163 -3.122 1.00 33.66 O ATOM 919 HH TYR A 672 -19.147 -2.709 -3.997 1.00 0.00 H ATOM 920 H TYR A 672 -12.591 -0.184 0.989 1.00 0.00 H ATOM 921 N LYS A 673 -15.608 -1.012 2.407 1.00 23.37 N ATOM 922 CA LYS A 673 -16.642 -1.385 3.382 1.00 24.15 C ATOM 923 C LYS A 673 -17.095 -0.272 4.322 1.00 29.25 C ATOM 924 O LYS A 673 -18.246 -0.275 4.739 1.00 30.33 O ATOM 925 CB LYS A 673 -16.199 -2.604 4.219 1.00 25.60 C ATOM 926 CG LYS A 673 -15.993 -3.899 3.426 1.00 23.70 C ATOM 927 CD LYS A 673 -17.275 -4.511 2.834 1.00 30.23 C ATOM 928 CE LYS A 673 -18.187 -5.119 3.867 1.00 34.57 C ATOM 929 NZ LYS A 673 -19.409 -5.678 3.235 1.00 42.08 N ATOM 930 HZ1 LYS A 673 -19.921 -4.919 2.742 1.00 0.00 H ATOM 931 HZ2 LYS A 673 -19.139 -6.415 2.553 1.00 0.00 H ATOM 932 HZ3 LYS A 673 -20.020 -6.090 3.969 1.00 0.00 H ATOM 933 H LYS A 673 -14.652 -1.403 2.531 1.00 0.00 H ATOM 934 N ASN A 674 -16.192 0.633 4.702 1.00 25.54 N ATOM 935 CA ASN A 674 -16.503 1.673 5.685 1.00 26.01 C ATOM 936 C ASN A 674 -16.729 3.080 5.114 1.00 29.72 C ATOM 937 O ASN A 674 -17.415 3.869 5.761 1.00 30.51 O ATOM 938 CB ASN A 674 -15.413 1.720 6.771 1.00 25.01 C ATOM 939 CG ASN A 674 -15.263 0.454 7.579 1.00 40.92 C ATOM 940 OD1 ASN A 674 -15.793 0.332 8.680 1.00 40.19 O ATOM 941 ND2 ASN A 674 -14.504 -0.501 7.080 1.00 24.26 N ATOM 942 HD22 ASN A 674 -14.063 -0.380 6.146 1.00 0.00 H ATOM 943 HD21 ASN A 674 -14.346 -1.375 7.620 1.00 0.00 H ATOM 944 H ASN A 674 -15.239 0.599 4.288 1.00 0.00 H ATOM 945 N LEU A 675 -16.167 3.410 3.935 1.00 24.83 N ATOM 946 CA LEU A 675 -16.238 4.779 3.392 1.00 24.93 C ATOM 947 C LEU A 675 -17.150 5.043 2.180 1.00 31.61 C ATOM 948 O LEU A 675 -17.118 6.170 1.674 1.00 32.54 O ATOM 949 CB LEU A 675 -14.822 5.272 3.024 1.00 23.65 C ATOM 950 CG LEU A 675 -13.799 5.454 4.136 1.00 27.45 C ATOM 951 CD1 LEU A 675 -12.571 6.102 3.587 1.00 26.91 C ATOM 952 CD2 LEU A 675 -14.341 6.290 5.277 1.00 30.32 C ATOM 953 H LEU A 675 -15.668 2.677 3.391 1.00 0.00 H ATOM 954 N GLU A 676 -17.955 4.060 1.718 1.00 28.71 N ATOM 955 CA GLU A 676 -18.875 4.181 0.551 1.00 29.70 C ATOM 956 C GLU A 676 -18.193 4.868 -0.680 1.00 30.88 C ATOM 957 O GLU A 676 -18.594 5.942 -1.141 1.00 29.66 O ATOM 958 CB GLU A 676 -20.258 4.809 0.913 1.00 32.99 C ATOM 959 CG GLU A 676 -20.272 6.163 1.616 1.00 49.18 C ATOM 960 CD GLU A 676 -21.398 6.433 2.602 1.00 74.39 C ATOM 961 OE1 GLU A 676 -22.463 5.778 2.512 1.00 64.85 O ATOM 962 OE2 GLU A 676 -21.225 7.342 3.445 1.00 72.65 O ATOM 963 H GLU A 676 -17.931 3.147 2.216 1.00 0.00 H ATOM 964 N LEU A 677 -17.131 4.205 -1.182 1.00 26.47 N ATOM 965 CA LEU A 677 -16.299 4.653 -2.305 1.00 24.90 C ATOM 966 C LEU A 677 -17.074 4.787 -3.599 1.00 28.57 C ATOM 967 O LEU A 677 -16.730 5.599 -4.443 1.00 28.02 O ATOM 968 CB LEU A 677 -15.128 3.687 -2.509 1.00 23.95 C ATOM 969 CG LEU A 677 -14.054 3.661 -1.420 1.00 27.91 C ATOM 970 CD1 LEU A 677 -12.897 2.793 -1.841 1.00 28.01 C ATOM 971 CD2 LEU A 677 -13.568 5.059 -1.074 1.00 29.62 C ATOM 972 H LEU A 677 -16.881 3.300 -0.735 1.00 0.00 H ATOM 973 N THR A 678 -18.121 3.984 -3.747 1.00 24.44 N ATOM 974 CA THR A 678 -19.013 3.944 -4.910 1.00 24.23 C ATOM 975 C THR A 678 -19.702 5.304 -5.141 1.00 28.44 C ATOM 976 O THR A 678 -20.198 5.544 -6.237 1.00 28.87 O ATOM 977 CB THR A 678 -19.973 2.742 -4.792 1.00 29.08 C ATOM 978 OG1 THR A 678 -20.693 2.853 -3.560 1.00 39.13 O ATOM 979 CG2 THR A 678 -19.237 1.396 -4.806 1.00 23.56 C ATOM 980 HG1 THR A 678 -21.314 2.087 -3.472 1.00 0.00 H ATOM 981 H THR A 678 -18.327 3.325 -2.969 1.00 0.00 H ATOM 982 N ASN A 679 -19.692 6.213 -4.147 1.00 26.10 N ATOM 983 CA ASN A 679 -20.249 7.563 -4.317 1.00 27.20 C ATOM 984 C ASN A 679 -19.194 8.499 -4.931 1.00 31.18 C ATOM 985 O ASN A 679 -19.524 9.596 -5.382 1.00 32.68 O ATOM 986 CB ASN A 679 -20.696 8.135 -2.967 1.00 30.88 C ATOM 987 CG ASN A 679 -21.916 7.487 -2.364 1.00 42.11 C ATOM 988 OD1 ASN A 679 -22.771 6.931 -3.051 1.00 38.28 O ATOM 989 ND2 ASN A 679 -22.057 7.611 -1.060 1.00 27.74 N ATOM 990 HD22 ASN A 679 -21.320 8.085 -0.500 1.00 0.00 H ATOM 991 HD21 ASN A 679 -22.905 7.235 -0.591 1.00 0.00 H ATOM 992 H ASN A 679 -19.277 5.952 -3.230 1.00 0.00 H ATOM 993 N TYR A 680 -17.939 8.050 -4.952 1.00 26.91 N ATOM 994 CA TYR A 680 -16.775 8.818 -5.385 1.00 25.94 C ATOM 995 C TYR A 680 -16.114 8.287 -6.644 1.00 25.59 C ATOM 996 O TYR A 680 -15.731 9.069 -7.506 1.00 24.30 O ATOM 997 CB TYR A 680 -15.748 8.853 -4.245 1.00 27.23 C ATOM 998 CG TYR A 680 -16.248 9.504 -2.973 1.00 31.27 C ATOM 999 CD1 TYR A 680 -17.041 8.800 -2.070 1.00 33.48 C ATOM 1000 CD2 TYR A 680 -15.856 10.792 -2.628 1.00 33.83 C ATOM 1001 CE1 TYR A 680 -17.508 9.395 -0.899 1.00 35.04 C ATOM 1002 CE2 TYR A 680 -16.296 11.391 -1.445 1.00 36.27 C ATOM 1003 CZ TYR A 680 -17.125 10.688 -0.584 1.00 45.79 C ATOM 1004 OH TYR A 680 -17.548 11.259 0.595 1.00 51.17 O ATOM 1005 HH TYR A 680 -16.761 11.482 1.153 1.00 0.00 H ATOM 1006 H TYR A 680 -17.776 7.073 -4.634 1.00 0.00 H ATOM 1007 N LEU A 681 -15.957 6.971 -6.744 1.00 21.06 N ATOM 1008 CA LEU A 681 -15.243 6.351 -7.856 1.00 19.43 C ATOM 1009 C LEU A 681 -16.084 5.381 -8.658 1.00 23.19 C ATOM 1010 O LEU A 681 -17.061 4.839 -8.161 1.00 21.71 O ATOM 1011 CB LEU A 681 -14.013 5.612 -7.314 1.00 18.43 C ATOM 1012 CG LEU A 681 -12.981 6.445 -6.546 1.00 22.00 C ATOM 1013 CD1 LEU A 681 -12.111 5.558 -5.710 1.00 20.54 C ATOM 1014 CD2 LEU A 681 -12.155 7.327 -7.491 1.00 23.62 C ATOM 1015 H LEU A 681 -16.357 6.361 -6.003 1.00 0.00 H ATOM 1016 N GLU A 682 -15.665 5.140 -9.889 1.00 19.65 N ATOM 1017 CA GLU A 682 -16.285 4.180 -10.787 1.00 19.51 C ATOM 1018 C GLU A 682 -15.937 2.789 -10.256 1.00 20.49 C ATOM 1019 O GLU A 682 -14.920 2.631 -9.580 1.00 17.03 O ATOM 1020 CB GLU A 682 -15.699 4.349 -12.195 1.00 21.28 C ATOM 1021 CG GLU A 682 -16.207 5.579 -12.926 1.00 35.27 C ATOM 1022 CD GLU A 682 -15.441 5.985 -14.170 1.00 68.64 C ATOM 1023 OE1 GLU A 682 -14.734 5.129 -14.752 1.00 67.15 O ATOM 1024 OE2 GLU A 682 -15.566 7.164 -14.576 1.00 73.20 O ATOM 1025 H GLU A 682 -14.841 5.670 -10.236 1.00 0.00 H ATOM 1026 N ASP A 683 -16.769 1.782 -10.559 1.00 17.86 N ATOM 1027 CA ASP A 683 -16.495 0.412 -10.108 1.00 17.35 C ATOM 1028 C ASP A 683 -15.169 -0.133 -10.611 1.00 19.22 C ATOM 1029 O ASP A 683 -14.464 -0.810 -9.853 1.00 19.95 O ATOM 1030 CB ASP A 683 -17.655 -0.527 -10.449 1.00 20.23 C ATOM 1031 CG ASP A 683 -18.683 -0.562 -9.328 1.00 46.88 C ATOM 1032 OD1 ASP A 683 -18.336 -1.043 -8.202 1.00 51.13 O ATOM 1033 OD2 ASP A 683 -19.816 -0.083 -9.551 1.00 54.51 O ATOM 1034 H ASP A 683 -17.622 1.975 -11.122 1.00 0.00 H ATOM 1035 N ILE A 684 -14.808 0.190 -11.874 1.00 14.53 N ATOM 1036 CA ILE A 684 -13.534 -0.249 -12.469 1.00 13.75 C ATOM 1037 C ILE A 684 -12.334 0.371 -11.742 1.00 16.19 C ATOM 1038 O ILE A 684 -11.306 -0.296 -11.596 1.00 14.38 O ATOM 1039 CB ILE A 684 -13.503 -0.036 -14.004 1.00 17.61 C ATOM 1040 CG1 ILE A 684 -12.522 -1.044 -14.669 1.00 17.45 C ATOM 1041 CG2 ILE A 684 -13.252 1.439 -14.397 1.00 19.65 C ATOM 1042 CD1 ILE A 684 -12.541 -1.072 -16.216 1.00 21.27 C ATOM 1043 H ILE A 684 -15.454 0.770 -12.446 1.00 0.00 H ATOM 1044 N GLU A 685 -12.482 1.625 -11.254 1.00 12.66 N ATOM 1045 CA GLU A 685 -11.422 2.297 -10.481 1.00 12.22 C ATOM 1046 C GLU A 685 -11.213 1.640 -9.113 1.00 16.02 C ATOM 1047 O GLU A 685 -10.075 1.511 -8.667 1.00 13.94 O ATOM 1048 CB GLU A 685 -11.739 3.783 -10.293 1.00 13.38 C ATOM 1049 CG GLU A 685 -11.761 4.538 -11.609 1.00 21.93 C ATOM 1050 CD GLU A 685 -12.173 5.993 -11.488 1.00 34.62 C ATOM 1051 OE1 GLU A 685 -13.128 6.281 -10.734 1.00 24.98 O ATOM 1052 OE2 GLU A 685 -11.545 6.846 -12.154 1.00 29.19 O ATOM 1053 H GLU A 685 -13.373 2.131 -11.430 1.00 0.00 H ATOM 1054 N ILE A 686 -12.308 1.249 -8.436 1.00 14.18 N ATOM 1055 CA ILE A 686 -12.200 0.584 -7.121 1.00 13.56 C ATOM 1056 C ILE A 686 -11.538 -0.790 -7.304 1.00 16.22 C ATOM 1057 O ILE A 686 -10.700 -1.179 -6.495 1.00 15.93 O ATOM 1058 CB ILE A 686 -13.575 0.516 -6.394 1.00 17.56 C ATOM 1059 CG1 ILE A 686 -14.154 1.943 -6.187 1.00 17.88 C ATOM 1060 CG2 ILE A 686 -13.445 -0.222 -5.026 1.00 18.56 C ATOM 1061 CD1 ILE A 686 -15.630 1.970 -5.909 1.00 23.48 C ATOM 1062 H ILE A 686 -13.249 1.418 -8.846 1.00 0.00 H ATOM 1063 N PHE A 687 -11.911 -1.512 -8.376 1.00 13.01 N ATOM 1064 CA PHE A 687 -11.340 -2.817 -8.712 1.00 13.61 C ATOM 1065 C PHE A 687 -9.854 -2.679 -9.042 1.00 17.00 C ATOM 1066 O PHE A 687 -9.045 -3.448 -8.538 1.00 15.71 O ATOM 1067 CB PHE A 687 -12.106 -3.450 -9.879 1.00 16.08 C ATOM 1068 CG PHE A 687 -11.724 -4.862 -10.274 1.00 17.95 C ATOM 1069 CD1 PHE A 687 -11.316 -5.791 -9.317 1.00 20.98 C ATOM 1070 CD2 PHE A 687 -11.793 -5.271 -11.599 1.00 19.94 C ATOM 1071 CE1 PHE A 687 -10.967 -7.090 -9.687 1.00 20.87 C ATOM 1072 CE2 PHE A 687 -11.453 -6.578 -11.962 1.00 22.49 C ATOM 1073 CZ PHE A 687 -11.092 -7.487 -11.000 1.00 20.16 C ATOM 1074 H PHE A 687 -12.645 -1.121 -9.000 1.00 0.00 H ATOM 1075 N ALA A 688 -9.491 -1.652 -9.812 1.00 14.83 N ATOM 1076 CA ALA A 688 -8.095 -1.393 -10.157 1.00 15.13 C ATOM 1077 C ALA A 688 -7.276 -1.047 -8.928 1.00 17.18 C ATOM 1078 O ALA A 688 -6.139 -1.501 -8.820 1.00 16.16 O ATOM 1079 CB ALA A 688 -8.003 -0.281 -11.179 1.00 16.36 C ATOM 1080 H ALA A 688 -10.226 -1.014 -10.179 1.00 0.00 H ATOM 1081 N LEU A 689 -7.870 -0.289 -7.977 1.00 13.79 N ATOM 1082 CA LEU A 689 -7.187 0.083 -6.741 1.00 12.63 C ATOM 1083 C LEU A 689 -6.849 -1.178 -5.954 1.00 14.47 C ATOM 1084 O LEU A 689 -5.706 -1.335 -5.559 1.00 13.26 O ATOM 1085 CB LEU A 689 -8.064 1.051 -5.913 1.00 13.63 C ATOM 1086 CG LEU A 689 -7.496 1.533 -4.576 1.00 17.25 C ATOM 1087 CD1 LEU A 689 -6.199 2.371 -4.763 1.00 16.59 C ATOM 1088 CD2 LEU A 689 -8.528 2.320 -3.810 1.00 16.20 C ATOM 1089 H LEU A 689 -8.845 0.039 -8.132 1.00 0.00 H ATOM 1090 N PHE A 690 -7.817 -2.108 -5.796 1.00 13.71 N ATOM 1091 CA PHE A 690 -7.593 -3.370 -5.085 1.00 12.31 C ATOM 1092 C PHE A 690 -6.521 -4.239 -5.725 1.00 14.63 C ATOM 1093 O PHE A 690 -5.632 -4.728 -5.012 1.00 15.94 O ATOM 1094 CB PHE A 690 -8.891 -4.162 -4.868 1.00 13.25 C ATOM 1095 CG PHE A 690 -8.710 -5.360 -3.960 1.00 13.01 C ATOM 1096 CD1 PHE A 690 -8.783 -5.224 -2.583 1.00 14.01 C ATOM 1097 CD2 PHE A 690 -8.454 -6.628 -4.486 1.00 15.20 C ATOM 1098 CE1 PHE A 690 -8.608 -6.330 -1.746 1.00 14.65 C ATOM 1099 CE2 PHE A 690 -8.275 -7.736 -3.643 1.00 17.04 C ATOM 1100 CZ PHE A 690 -8.369 -7.578 -2.277 1.00 13.23 C ATOM 1101 H PHE A 690 -8.759 -1.921 -6.195 1.00 0.00 H ATOM 1102 N ILE A 691 -6.603 -4.465 -7.042 1.00 11.84 N ATOM 1103 CA ILE A 691 -5.603 -5.277 -7.757 1.00 11.10 C ATOM 1104 C ILE A 691 -4.228 -4.599 -7.670 1.00 13.82 C ATOM 1105 O ILE A 691 -3.226 -5.293 -7.501 1.00 13.56 O ATOM 1106 CB ILE A 691 -6.022 -5.604 -9.218 1.00 13.49 C ATOM 1107 CG1 ILE A 691 -7.353 -6.439 -9.266 1.00 12.03 C ATOM 1108 CG2 ILE A 691 -4.881 -6.314 -9.990 1.00 16.11 C ATOM 1109 CD1 ILE A 691 -7.332 -7.866 -8.499 1.00 19.03 C ATOM 1110 H ILE A 691 -7.396 -4.055 -7.576 1.00 0.00 H ATOM 1111 N SER A 692 -4.187 -3.261 -7.755 1.00 10.41 N ATOM 1112 CA SER A 692 -2.923 -2.516 -7.640 1.00 10.42 C ATOM 1113 C SER A 692 -2.319 -2.684 -6.252 1.00 14.63 C ATOM 1114 O SER A 692 -1.110 -2.880 -6.160 1.00 15.02 O ATOM 1115 CB SER A 692 -3.123 -1.038 -7.949 1.00 15.49 C ATOM 1116 OG SER A 692 -3.542 -0.862 -9.290 1.00 19.97 O ATOM 1117 HG SER A 692 -4.398 -1.339 -9.432 1.00 0.00 H ATOM 1118 H SER A 692 -5.072 -2.736 -7.906 1.00 0.00 H ATOM 1119 N CYS A 693 -3.147 -2.673 -5.182 1.00 12.12 N ATOM 1120 CA CYS A 693 -2.676 -2.914 -3.806 1.00 13.08 C ATOM 1121 C CYS A 693 -1.954 -4.267 -3.723 1.00 14.01 C ATOM 1122 O CYS A 693 -0.879 -4.357 -3.122 1.00 11.38 O ATOM 1123 CB CYS A 693 -3.834 -2.853 -2.811 1.00 15.00 C ATOM 1124 SG CYS A 693 -4.397 -1.177 -2.434 1.00 19.88 S ATOM 1125 H CYS A 693 -4.158 -2.487 -5.337 1.00 0.00 H ATOM 1126 N MET A 694 -2.537 -5.323 -4.336 1.00 10.18 N ATOM 1127 CA MET A 694 -1.913 -6.663 -4.324 1.00 10.96 C ATOM 1128 C MET A 694 -0.535 -6.684 -4.989 1.00 14.66 C ATOM 1129 O MET A 694 0.362 -7.367 -4.505 1.00 13.56 O ATOM 1130 CB MET A 694 -2.798 -7.674 -5.073 1.00 13.44 C ATOM 1131 CG MET A 694 -4.109 -7.954 -4.412 1.00 17.42 C ATOM 1132 SD MET A 694 -5.092 -9.113 -5.408 1.00 20.45 S ATOM 1133 CE MET A 694 -4.009 -10.584 -5.389 1.00 17.44 C ATOM 1134 H MET A 694 -3.444 -5.189 -4.826 1.00 0.00 H ATOM 1135 N CYS A 695 -0.392 -5.957 -6.106 1.00 13.84 N ATOM 1136 CA CYS A 695 0.788 -5.925 -6.985 1.00 13.47 C ATOM 1137 C CYS A 695 1.808 -4.821 -6.707 1.00 14.94 C ATOM 1138 O CYS A 695 2.876 -4.839 -7.319 1.00 16.28 O ATOM 1139 CB CYS A 695 0.315 -5.828 -8.438 1.00 13.58 C ATOM 1140 SG CYS A 695 -0.795 -7.170 -8.978 1.00 17.56 S ATOM 1141 H CYS A 695 -1.195 -5.355 -6.379 1.00 0.00 H ATOM 1142 N HIS A 696 1.474 -3.831 -5.874 1.00 10.37 N ATOM 1143 CA HIS A 696 2.194 -2.550 -5.800 1.00 8.94 C ATOM 1144 C HIS A 696 3.671 -2.622 -5.392 1.00 13.93 C ATOM 1145 O HIS A 696 4.400 -1.675 -5.707 1.00 13.16 O ATOM 1146 CB HIS A 696 1.447 -1.517 -4.943 1.00 8.64 C ATOM 1147 CG HIS A 696 1.752 -1.625 -3.487 1.00 10.80 C ATOM 1148 ND1 HIS A 696 1.166 -2.591 -2.709 1.00 12.21 N ATOM 1149 CD2 HIS A 696 2.620 -0.914 -2.734 1.00 12.12 C ATOM 1150 CE1 HIS A 696 1.673 -2.423 -1.495 1.00 12.54 C ATOM 1151 NE2 HIS A 696 2.562 -1.436 -1.476 1.00 12.49 N ATOM 1152 H HIS A 696 0.660 -3.974 -5.243 1.00 0.00 H ATOM 1153 N ASP A 697 4.110 -3.702 -4.711 1.00 11.66 N ATOM 1154 CA ASP A 697 5.516 -3.838 -4.320 1.00 11.16 C ATOM 1155 C ASP A 697 6.146 -5.130 -4.874 1.00 12.48 C ATOM 1156 O ASP A 697 7.150 -5.592 -4.335 1.00 10.44 O ATOM 1157 CB ASP A 697 5.658 -3.769 -2.785 1.00 12.40 C ATOM 1158 CG ASP A 697 5.792 -2.357 -2.220 1.00 14.63 C ATOM 1159 OD1 ASP A 697 6.424 -1.499 -2.885 1.00 11.68 O ATOM 1160 OD2 ASP A 697 5.344 -2.132 -1.089 1.00 13.18 O ATOM 1161 H ASP A 697 3.436 -4.453 -4.459 1.00 0.00 H ATOM 1162 N LEU A 698 5.569 -5.699 -5.945 1.00 8.85 N ATOM 1163 CA LEU A 698 6.054 -6.967 -6.532 1.00 10.10 C ATOM 1164 C LEU A 698 7.557 -6.994 -6.790 1.00 15.48 C ATOM 1165 O LEU A 698 8.103 -6.046 -7.347 1.00 14.75 O ATOM 1166 CB LEU A 698 5.323 -7.296 -7.847 1.00 9.35 C ATOM 1167 CG LEU A 698 3.979 -7.991 -7.757 1.00 14.16 C ATOM 1168 CD1 LEU A 698 3.267 -7.881 -9.093 1.00 13.86 C ATOM 1169 CD2 LEU A 698 4.124 -9.459 -7.384 1.00 16.57 C ATOM 1170 H LEU A 698 4.749 -5.229 -6.379 1.00 0.00 H ATOM 1171 N ASP A 699 8.230 -8.079 -6.337 1.00 13.33 N ATOM 1172 CA ASP A 699 9.660 -8.313 -6.533 1.00 11.89 C ATOM 1173 C ASP A 699 10.556 -7.242 -5.859 1.00 15.12 C ATOM 1174 O ASP A 699 11.675 -7.026 -6.307 1.00 15.53 O ATOM 1175 CB ASP A 699 9.979 -8.486 -8.043 1.00 13.50 C ATOM 1176 CG ASP A 699 11.321 -9.155 -8.328 1.00 17.10 C ATOM 1177 OD1 ASP A 699 11.639 -10.143 -7.660 1.00 16.75 O ATOM 1178 OD2 ASP A 699 12.039 -8.682 -9.223 1.00 24.11 O ATOM 1179 H ASP A 699 7.691 -8.797 -5.812 1.00 0.00 H ATOM 1180 N HIS A 700 10.078 -6.615 -4.763 1.00 11.91 N ATOM 1181 CA HIS A 700 10.873 -5.649 -4.003 1.00 11.65 C ATOM 1182 C HIS A 700 12.117 -6.367 -3.446 1.00 17.54 C ATOM 1183 O HIS A 700 12.023 -7.505 -2.980 1.00 16.85 O ATOM 1184 CB HIS A 700 10.059 -5.026 -2.871 1.00 11.59 C ATOM 1185 CG HIS A 700 10.555 -3.681 -2.439 1.00 14.56 C ATOM 1186 ND1 HIS A 700 11.678 -3.550 -1.634 1.00 16.74 N ATOM 1187 CD2 HIS A 700 10.034 -2.449 -2.670 1.00 15.08 C ATOM 1188 CE1 HIS A 700 11.800 -2.254 -1.402 1.00 15.27 C ATOM 1189 NE2 HIS A 700 10.846 -1.554 -2.013 1.00 15.19 N ATOM 1190 H HIS A 700 9.110 -6.826 -4.447 1.00 0.00 H ATOM 1191 N ARG A 701 13.282 -5.726 -3.552 1.00 15.60 N ATOM 1192 CA ARG A 701 14.554 -6.324 -3.114 1.00 16.66 C ATOM 1193 C ARG A 701 15.051 -5.775 -1.778 1.00 21.57 C ATOM 1194 O ARG A 701 16.198 -6.039 -1.406 1.00 22.81 O ATOM 1195 CB ARG A 701 15.629 -6.189 -4.219 1.00 16.90 C ATOM 1196 CG ARG A 701 15.291 -6.918 -5.528 1.00 18.13 C ATOM 1197 CD ARG A 701 14.693 -5.989 -6.585 1.00 18.05 C ATOM 1198 NE ARG A 701 14.251 -6.734 -7.767 1.00 16.28 N ATOM 1199 CZ ARG A 701 15.025 -6.958 -8.824 1.00 29.16 C ATOM 1200 NH1 ARG A 701 16.253 -6.455 -8.876 1.00 25.97 N ATOM 1201 NH2 ARG A 701 14.570 -7.659 -9.847 1.00 21.55 N ATOM 1202 HE ARG A 701 13.280 -7.107 -7.779 1.00 0.00 H ATOM 1203 HH12 ARG A 701 16.854 -6.634 -9.706 1.00 0.00 H ATOM 1204 HH11 ARG A 701 16.614 -5.882 -8.087 1.00 0.00 H ATOM 1205 HH22 ARG A 701 15.180 -7.831 -10.672 1.00 0.00 H ATOM 1206 HH21 ARG A 701 13.602 -8.039 -9.828 1.00 0.00 H ATOM 1207 H ARG A 701 13.292 -4.769 -3.959 1.00 0.00 H ATOM 1208 N GLY A 702 14.189 -5.035 -1.072 1.00 18.82 N ATOM 1209 CA GLY A 702 14.491 -4.443 0.223 1.00 19.06 C ATOM 1210 C GLY A 702 15.361 -3.199 0.150 1.00 21.17 C ATOM 1211 O GLY A 702 15.915 -2.786 1.165 1.00 21.29 O ATOM 1212 H GLY A 702 13.244 -4.872 -1.474 1.00 0.00 H ATOM 1213 N THR A 703 15.507 -2.604 -1.045 1.00 16.02 N ATOM 1214 CA THR A 703 16.273 -1.367 -1.262 1.00 15.44 C ATOM 1215 C THR A 703 15.422 -0.357 -2.012 1.00 18.74 C ATOM 1216 O THR A 703 14.562 -0.758 -2.802 1.00 18.90 O ATOM 1217 CB THR A 703 17.617 -1.640 -1.928 1.00 21.58 C ATOM 1218 OG1 THR A 703 17.415 -2.316 -3.170 1.00 23.90 O ATOM 1219 CG2 THR A 703 18.587 -2.429 -1.013 1.00 17.71 C ATOM 1220 HG1 THR A 703 18.292 -2.490 -3.596 1.00 0.00 H ATOM 1221 H THR A 703 15.050 -3.045 -1.868 1.00 0.00 H ATOM 1222 N ASN A 704 15.632 0.941 -1.764 1.00 13.53 N ATOM 1223 CA ASN A 704 14.814 2.014 -2.355 1.00 12.20 C ATOM 1224 C ASN A 704 15.305 2.467 -3.740 1.00 16.67 C ATOM 1225 O ASN A 704 16.251 1.884 -4.272 1.00 15.84 O ATOM 1226 CB ASN A 704 14.689 3.185 -1.372 1.00 10.64 C ATOM 1227 CG ASN A 704 15.966 3.930 -1.077 1.00 28.67 C ATOM 1228 OD1 ASN A 704 17.001 3.764 -1.731 1.00 18.41 O ATOM 1229 ND2 ASN A 704 15.904 4.799 -0.086 1.00 27.55 N ATOM 1230 HD22 ASN A 704 15.019 4.917 0.447 1.00 0.00 H ATOM 1231 HD21 ASN A 704 16.740 5.366 0.162 1.00 0.00 H ATOM 1232 H ASN A 704 16.409 1.204 -1.124 1.00 0.00 H ATOM 1233 N ASN A 705 14.683 3.513 -4.307 1.00 14.25 N ATOM 1234 CA ASN A 705 15.011 4.060 -5.638 1.00 14.87 C ATOM 1235 C ASN A 705 16.420 4.615 -5.738 1.00 19.29 C ATOM 1236 O ASN A 705 17.126 4.326 -6.714 1.00 19.37 O ATOM 1237 CB ASN A 705 13.962 5.099 -6.079 1.00 14.13 C ATOM 1238 CG ASN A 705 12.646 4.457 -6.412 1.00 22.78 C ATOM 1239 OD1 ASN A 705 12.594 3.280 -6.738 1.00 19.38 O ATOM 1240 ND2 ASN A 705 11.545 5.183 -6.303 1.00 19.46 N ATOM 1241 HD22 ASN A 705 11.607 6.183 -6.025 1.00 0.00 H ATOM 1242 HD21 ASN A 705 10.618 4.753 -6.496 1.00 0.00 H ATOM 1243 H ASN A 705 13.917 3.969 -3.771 1.00 0.00 H ATOM 1244 N SER A 706 16.848 5.361 -4.714 1.00 17.24 N ATOM 1245 CA SER A 706 18.189 5.951 -4.652 1.00 17.61 C ATOM 1246 C SER A 706 19.272 4.877 -4.713 1.00 19.48 C ATOM 1247 O SER A 706 20.279 5.059 -5.408 1.00 20.81 O ATOM 1248 CB SER A 706 18.326 6.829 -3.407 1.00 22.57 C ATOM 1249 OG SER A 706 19.632 6.727 -2.862 1.00 37.41 O ATOM 1250 HG SER A 706 20.294 7.022 -3.537 1.00 0.00 H ATOM 1251 H SER A 706 16.197 5.531 -3.921 1.00 0.00 H ATOM 1252 N PHE A 707 19.047 3.747 -4.023 1.00 14.96 N ATOM 1253 CA PHE A 707 19.986 2.614 -4.028 1.00 14.93 C ATOM 1254 C PHE A 707 20.118 1.993 -5.419 1.00 20.15 C ATOM 1255 O PHE A 707 21.224 1.647 -5.825 1.00 21.45 O ATOM 1256 CB PHE A 707 19.599 1.550 -3.003 1.00 16.49 C ATOM 1257 CG PHE A 707 20.653 0.479 -2.862 1.00 17.97 C ATOM 1258 CD1 PHE A 707 21.758 0.673 -2.043 1.00 20.65 C ATOM 1259 CD2 PHE A 707 20.574 -0.697 -3.602 1.00 19.70 C ATOM 1260 CE1 PHE A 707 22.745 -0.307 -1.933 1.00 21.54 C ATOM 1261 CE2 PHE A 707 21.553 -1.684 -3.484 1.00 22.60 C ATOM 1262 CZ PHE A 707 22.636 -1.480 -2.657 1.00 21.09 C ATOM 1263 H PHE A 707 18.174 3.670 -3.463 1.00 0.00 H ATOM 1264 N GLN A 708 18.999 1.854 -6.148 1.00 15.95 N ATOM 1265 CA GLN A 708 19.011 1.302 -7.501 1.00 16.00 C ATOM 1266 C GLN A 708 19.947 2.088 -8.404 1.00 18.94 C ATOM 1267 O GLN A 708 20.799 1.509 -9.081 1.00 19.96 O ATOM 1268 CB GLN A 708 17.579 1.230 -8.098 1.00 16.85 C ATOM 1269 CG GLN A 708 16.619 0.382 -7.286 1.00 17.33 C ATOM 1270 CD GLN A 708 17.116 -1.019 -7.046 1.00 27.53 C ATOM 1271 OE1 GLN A 708 17.535 -1.700 -7.957 1.00 18.39 O ATOM 1272 NE2 GLN A 708 17.080 -1.482 -5.810 1.00 31.27 N ATOM 1273 HE22 GLN A 708 16.717 -0.883 -5.041 1.00 0.00 H ATOM 1274 HE21 GLN A 708 17.414 -2.445 -5.606 1.00 0.00 H ATOM 1275 H GLN A 708 18.091 2.150 -5.735 1.00 0.00 H ATOM 1276 N VAL A 709 19.827 3.415 -8.347 1.00 16.30 N ATOM 1277 CA VAL A 709 20.622 4.351 -9.137 1.00 19.36 C ATOM 1278 C VAL A 709 22.095 4.315 -8.705 1.00 25.16 C ATOM 1279 O VAL A 709 22.972 4.151 -9.563 1.00 26.15 O ATOM 1280 CB VAL A 709 20.000 5.783 -9.112 1.00 24.89 C ATOM 1281 CG1 VAL A 709 20.829 6.763 -9.943 1.00 25.88 C ATOM 1282 CG2 VAL A 709 18.549 5.752 -9.613 1.00 24.42 C ATOM 1283 H VAL A 709 19.119 3.810 -7.696 1.00 0.00 H ATOM 1284 N ALA A 710 22.362 4.421 -7.384 1.00 21.70 N ATOM 1285 CA ALA A 710 23.726 4.425 -6.842 1.00 22.65 C ATOM 1286 C ALA A 710 24.458 3.106 -7.129 1.00 25.42 C ATOM 1287 O ALA A 710 25.627 3.129 -7.493 1.00 26.05 O ATOM 1288 CB ALA A 710 23.706 4.714 -5.346 1.00 23.20 C ATOM 1289 H ALA A 710 21.565 4.503 -6.722 1.00 0.00 H ATOM 1290 N SER A 711 23.762 1.972 -7.016 1.00 19.94 N ATOM 1291 CA SER A 711 24.362 0.659 -7.266 1.00 19.59 C ATOM 1292 C SER A 711 24.378 0.260 -8.751 1.00 24.31 C ATOM 1293 O SER A 711 24.853 -0.828 -9.072 1.00 23.57 O ATOM 1294 CB SER A 711 23.667 -0.417 -6.438 1.00 19.77 C ATOM 1295 OG SER A 711 22.327 -0.612 -6.858 1.00 27.77 O ATOM 1296 HG SER A 711 21.824 0.235 -6.757 1.00 0.00 H ATOM 1297 H SER A 711 22.760 2.023 -6.741 1.00 0.00 H ATOM 1298 N LYS A 712 23.837 1.130 -9.645 1.00 21.61 N ATOM 1299 CA LYS A 712 23.732 0.910 -11.092 1.00 21.18 C ATOM 1300 C LYS A 712 23.097 -0.455 -11.393 1.00 23.86 C ATOM 1301 O LYS A 712 23.626 -1.242 -12.178 1.00 26.20 O ATOM 1302 CB LYS A 712 25.095 1.095 -11.801 1.00 25.77 C ATOM 1303 CG LYS A 712 25.709 2.471 -11.563 1.00 31.03 C ATOM 1304 CD LYS A 712 26.905 2.749 -12.468 1.00 43.04 C ATOM 1305 CE LYS A 712 27.542 4.090 -12.173 1.00 49.61 C ATOM 1306 NZ LYS A 712 26.631 5.232 -12.475 1.00 58.81 N ATOM 1307 HZ1 LYS A 712 26.375 5.212 -13.483 1.00 0.00 H ATOM 1308 HZ2 LYS A 712 25.771 5.150 -11.896 1.00 0.00 H ATOM 1309 HZ3 LYS A 712 27.114 6.127 -12.256 1.00 0.00 H ATOM 1310 H LYS A 712 23.466 2.027 -9.272 1.00 0.00 H ATOM 1311 N SER A 713 21.974 -0.745 -10.722 1.00 19.10 N ATOM 1312 CA SER A 713 21.259 -2.006 -10.902 1.00 17.50 C ATOM 1313 C SER A 713 20.629 -2.066 -12.306 1.00 20.70 C ATOM 1314 O SER A 713 20.477 -1.021 -12.939 1.00 17.35 O ATOM 1315 CB SER A 713 20.166 -2.132 -9.851 1.00 18.96 C ATOM 1316 OG SER A 713 19.076 -1.254 -10.117 1.00 22.63 O ATOM 1317 HG SER A 713 18.387 -1.363 -9.415 1.00 0.00 H ATOM 1318 H SER A 713 21.598 -0.047 -10.049 1.00 0.00 H ATOM 1319 N VAL A 714 20.215 -3.279 -12.760 1.00 18.80 N ATOM 1320 CA VAL A 714 19.528 -3.457 -14.052 1.00 20.65 C ATOM 1321 C VAL A 714 18.232 -2.626 -14.062 1.00 20.30 C ATOM 1322 O VAL A 714 17.913 -2.014 -15.070 1.00 17.71 O ATOM 1323 CB VAL A 714 19.325 -4.940 -14.517 1.00 26.76 C ATOM 1324 CG1 VAL A 714 19.549 -5.953 -13.411 1.00 27.65 C ATOM 1325 CG2 VAL A 714 17.985 -5.175 -15.202 1.00 25.87 C ATOM 1326 H VAL A 714 20.391 -4.117 -12.170 1.00 0.00 H ATOM 1327 N LEU A 715 17.539 -2.550 -12.912 1.00 18.33 N ATOM 1328 CA LEU A 715 16.317 -1.758 -12.805 1.00 18.56 C ATOM 1329 C LEU A 715 16.561 -0.287 -13.108 1.00 20.59 C ATOM 1330 O LEU A 715 15.767 0.309 -13.832 1.00 20.75 O ATOM 1331 CB LEU A 715 15.653 -1.937 -11.434 1.00 19.36 C ATOM 1332 CG LEU A 715 15.232 -3.367 -11.069 1.00 23.07 C ATOM 1333 CD1 LEU A 715 14.442 -3.375 -9.797 1.00 23.26 C ATOM 1334 CD2 LEU A 715 14.417 -3.998 -12.159 1.00 24.97 C ATOM 1335 H LEU A 715 17.882 -3.068 -12.078 1.00 0.00 H ATOM 1336 N ALA A 716 17.685 0.267 -12.605 1.00 16.37 N ATOM 1337 CA ALA A 716 18.071 1.655 -12.862 1.00 16.44 C ATOM 1338 C ALA A 716 18.417 1.813 -14.367 1.00 16.87 C ATOM 1339 O ALA A 716 17.978 2.776 -14.979 1.00 14.78 O ATOM 1340 CB ALA A 716 19.257 2.055 -11.989 1.00 18.05 C ATOM 1341 H ALA A 716 18.304 -0.319 -12.009 1.00 0.00 H ATOM 1342 N ALA A 717 19.139 0.839 -14.974 1.00 13.92 N ATOM 1343 CA ALA A 717 19.453 0.884 -16.413 1.00 15.71 C ATOM 1344 C ALA A 717 18.151 0.942 -17.234 1.00 19.18 C ATOM 1345 O ALA A 717 18.076 1.668 -18.217 1.00 18.10 O ATOM 1346 CB ALA A 717 20.258 -0.339 -16.817 1.00 17.10 C ATOM 1347 H ALA A 717 19.481 0.037 -14.407 1.00 0.00 H ATOM 1348 N LEU A 718 17.112 0.223 -16.787 1.00 16.08 N ATOM 1349 CA LEU A 718 15.825 0.211 -17.482 1.00 16.25 C ATOM 1350 C LEU A 718 14.970 1.468 -17.252 1.00 19.45 C ATOM 1351 O LEU A 718 14.368 1.967 -18.218 1.00 17.13 O ATOM 1352 CB LEU A 718 14.988 -1.030 -17.067 1.00 16.05 C ATOM 1353 CG LEU A 718 15.559 -2.413 -17.396 1.00 21.56 C ATOM 1354 CD1 LEU A 718 14.725 -3.518 -16.758 1.00 21.72 C ATOM 1355 CD2 LEU A 718 15.666 -2.617 -18.851 1.00 25.31 C ATOM 1356 H LEU A 718 17.224 -0.342 -15.921 1.00 0.00 H ATOM 1357 N TYR A 719 14.882 1.946 -15.993 1.00 14.97 N ATOM 1358 CA TYR A 719 13.926 2.990 -15.609 1.00 15.06 C ATOM 1359 C TYR A 719 14.430 4.301 -14.992 1.00 21.25 C ATOM 1360 O TYR A 719 13.584 5.170 -14.755 1.00 22.42 O ATOM 1361 CB TYR A 719 12.920 2.386 -14.606 1.00 14.42 C ATOM 1362 CG TYR A 719 12.309 1.073 -15.053 1.00 15.03 C ATOM 1363 CD1 TYR A 719 11.577 0.988 -16.233 1.00 16.10 C ATOM 1364 CD2 TYR A 719 12.460 -0.082 -14.292 1.00 15.51 C ATOM 1365 CE1 TYR A 719 11.023 -0.217 -16.656 1.00 18.16 C ATOM 1366 CE2 TYR A 719 11.895 -1.293 -14.697 1.00 16.34 C ATOM 1367 CZ TYR A 719 11.162 -1.349 -15.872 1.00 20.50 C ATOM 1368 OH TYR A 719 10.637 -2.534 -16.328 1.00 17.75 O ATOM 1369 HH TYR A 719 11.371 -3.180 -16.485 1.00 0.00 H ATOM 1370 H TYR A 719 15.517 1.559 -15.266 1.00 0.00 H ATOM 1371 N SER A 720 15.739 4.464 -14.691 1.00 17.56 N ATOM 1372 CA SER A 720 16.192 5.696 -14.007 1.00 18.80 C ATOM 1373 C SER A 720 15.896 7.003 -14.758 1.00 26.04 C ATOM 1374 O SER A 720 15.624 8.014 -14.109 1.00 26.45 O ATOM 1375 CB SER A 720 17.670 5.635 -13.638 1.00 21.95 C ATOM 1376 OG SER A 720 18.445 5.530 -14.817 1.00 29.32 O ATOM 1377 HG SER A 720 18.191 4.707 -15.305 1.00 0.00 H ATOM 1378 H SER A 720 16.426 3.724 -14.940 1.00 0.00 H ATOM 1379 N SER A 721 15.932 6.983 -16.103 1.00 23.03 N ATOM 1380 CA SER A 721 15.662 8.169 -16.925 1.00 24.66 C ATOM 1381 C SER A 721 14.202 8.665 -16.796 1.00 27.61 C ATOM 1382 O SER A 721 13.942 9.841 -17.047 1.00 27.02 O ATOM 1383 CB SER A 721 16.027 7.909 -18.386 1.00 29.39 C ATOM 1384 OG SER A 721 15.034 7.128 -19.029 1.00 36.31 O ATOM 1385 HG SER A 721 14.948 6.258 -18.564 1.00 0.00 H ATOM 1386 H SER A 721 16.161 6.088 -16.581 1.00 0.00 H ATOM 1387 N GLU A 722 13.272 7.779 -16.378 1.00 23.79 N ATOM 1388 CA GLU A 722 11.856 8.134 -16.196 1.00 24.00 C ATOM 1389 C GLU A 722 11.524 8.422 -14.734 1.00 27.74 C ATOM 1390 O GLU A 722 10.540 9.108 -14.454 1.00 29.24 O ATOM 1391 CB GLU A 722 10.932 7.031 -16.744 1.00 25.26 C ATOM 1392 CG GLU A 722 10.390 7.293 -18.142 1.00 37.54 C ATOM 1393 CD GLU A 722 11.331 7.025 -19.304 1.00 69.66 C ATOM 1394 OE1 GLU A 722 12.404 6.414 -19.086 1.00 61.62 O ATOM 1395 OE2 GLU A 722 10.981 7.411 -20.444 1.00 69.89 O ATOM 1396 H GLU A 722 13.570 6.803 -16.176 1.00 0.00 H ATOM 1397 N GLY A 723 12.345 7.911 -13.823 1.00 22.13 N ATOM 1398 CA GLY A 723 12.134 8.061 -12.385 1.00 21.29 C ATOM 1399 C GLY A 723 11.253 6.954 -11.816 1.00 22.09 C ATOM 1400 O GLY A 723 10.758 6.113 -12.573 1.00 21.51 O ATOM 1401 H GLY A 723 13.177 7.379 -14.149 1.00 0.00 H ATOM 1402 N SER A 724 11.040 6.947 -10.468 1.00 14.68 N ATOM 1403 CA SER A 724 10.232 5.938 -9.744 1.00 13.55 C ATOM 1404 C SER A 724 10.632 4.528 -10.207 1.00 17.39 C ATOM 1405 O SER A 724 9.788 3.768 -10.709 1.00 18.15 O ATOM 1406 CB SER A 724 8.733 6.155 -9.969 1.00 15.07 C ATOM 1407 OG SER A 724 8.293 7.435 -9.546 1.00 21.75 O ATOM 1408 HG SER A 724 7.321 7.521 -9.714 1.00 0.00 H ATOM 1409 H SER A 724 11.477 7.706 -9.907 1.00 0.00 H ATOM 1410 N VAL A 725 11.932 4.229 -10.111 1.00 12.65 N ATOM 1411 CA VAL A 725 12.564 2.986 -10.607 1.00 13.41 C ATOM 1412 C VAL A 725 11.833 1.736 -10.119 1.00 16.86 C ATOM 1413 O VAL A 725 11.395 0.935 -10.944 1.00 14.91 O ATOM 1414 CB VAL A 725 14.079 2.949 -10.298 1.00 17.69 C ATOM 1415 CG1 VAL A 725 14.684 1.573 -10.592 1.00 16.57 C ATOM 1416 CG2 VAL A 725 14.835 4.026 -11.069 1.00 18.77 C ATOM 1417 H VAL A 725 12.550 4.927 -9.650 1.00 0.00 H ATOM 1418 N MET A 726 11.690 1.577 -8.780 1.00 12.34 N ATOM 1419 CA MET A 726 11.043 0.397 -8.223 1.00 11.37 C ATOM 1420 C MET A 726 9.584 0.286 -8.621 1.00 13.69 C ATOM 1421 O MET A 726 9.160 -0.793 -9.009 1.00 11.84 O ATOM 1422 CB MET A 726 11.180 0.319 -6.699 1.00 13.22 C ATOM 1423 CG MET A 726 12.584 -0.014 -6.204 1.00 16.66 C ATOM 1424 SD MET A 726 13.413 -1.410 -7.005 1.00 20.92 S ATOM 1425 CE MET A 726 12.170 -2.755 -6.834 1.00 15.62 C ATOM 1426 H MET A 726 12.049 2.312 -8.138 1.00 0.00 H ATOM 1427 N GLU A 727 8.836 1.398 -8.572 1.00 11.01 N ATOM 1428 CA GLU A 727 7.408 1.416 -8.930 1.00 11.41 C ATOM 1429 C GLU A 727 7.179 1.025 -10.391 1.00 14.61 C ATOM 1430 O GLU A 727 6.249 0.256 -10.668 1.00 12.67 O ATOM 1431 CB GLU A 727 6.729 2.748 -8.544 1.00 12.66 C ATOM 1432 CG GLU A 727 6.797 3.061 -7.046 1.00 12.78 C ATOM 1433 CD GLU A 727 8.137 3.524 -6.466 1.00 22.64 C ATOM 1434 OE1 GLU A 727 9.040 3.935 -7.228 1.00 16.12 O ATOM 1435 OE2 GLU A 727 8.290 3.461 -5.231 1.00 20.56 O ATOM 1436 H GLU A 727 9.284 2.286 -8.268 1.00 0.00 H ATOM 1437 N ARG A 728 8.084 1.443 -11.310 1.00 13.56 N ATOM 1438 CA ARG A 728 8.015 1.008 -12.705 1.00 14.13 C ATOM 1439 C ARG A 728 8.252 -0.496 -12.811 1.00 16.91 C ATOM 1440 O ARG A 728 7.565 -1.167 -13.573 1.00 16.88 O ATOM 1441 CB ARG A 728 8.960 1.801 -13.610 1.00 14.21 C ATOM 1442 CG ARG A 728 8.406 3.197 -13.875 1.00 13.44 C ATOM 1443 CD ARG A 728 9.264 4.027 -14.826 1.00 23.64 C ATOM 1444 NE ARG A 728 8.446 4.923 -15.644 1.00 27.63 N ATOM 1445 CZ ARG A 728 7.921 6.064 -15.209 1.00 38.07 C ATOM 1446 NH1 ARG A 728 8.160 6.484 -13.976 1.00 27.89 N ATOM 1447 NH2 ARG A 728 7.157 6.793 -16.005 1.00 36.07 N ATOM 1448 HE ARG A 728 8.263 4.649 -16.631 1.00 0.00 H ATOM 1449 HH12 ARG A 728 7.746 7.378 -13.642 1.00 0.00 H ATOM 1450 HH11 ARG A 728 8.761 5.920 -13.342 1.00 0.00 H ATOM 1451 HH22 ARG A 728 6.749 7.685 -15.660 1.00 0.00 H ATOM 1452 HH21 ARG A 728 6.965 6.474 -16.976 1.00 0.00 H ATOM 1453 H ARG A 728 8.845 2.088 -11.016 1.00 0.00 H ATOM 1454 N HIS A 729 9.158 -1.031 -12.002 1.00 12.60 N ATOM 1455 CA HIS A 729 9.419 -2.472 -11.965 1.00 10.77 C ATOM 1456 C HIS A 729 8.207 -3.249 -11.400 1.00 14.96 C ATOM 1457 O HIS A 729 7.836 -4.281 -11.967 1.00 14.61 O ATOM 1458 CB HIS A 729 10.678 -2.778 -11.148 1.00 9.98 C ATOM 1459 CG HIS A 729 10.987 -4.243 -11.074 1.00 12.24 C ATOM 1460 ND1 HIS A 729 11.207 -4.990 -12.207 1.00 14.56 N ATOM 1461 CD2 HIS A 729 11.121 -5.037 -9.994 1.00 13.58 C ATOM 1462 CE1 HIS A 729 11.481 -6.212 -11.784 1.00 14.26 C ATOM 1463 NE2 HIS A 729 11.425 -6.284 -10.454 1.00 13.92 N ATOM 1464 H HIS A 729 9.701 -0.406 -11.373 1.00 0.00 H ATOM 1465 N HIS A 730 7.590 -2.748 -10.301 1.00 10.35 N ATOM 1466 CA HIS A 730 6.394 -3.378 -9.699 1.00 8.52 C ATOM 1467 C HIS A 730 5.276 -3.515 -10.742 1.00 12.73 C ATOM 1468 O HIS A 730 4.705 -4.601 -10.899 1.00 10.85 O ATOM 1469 CB HIS A 730 5.909 -2.584 -8.481 1.00 8.20 C ATOM 1470 CG HIS A 730 6.949 -2.390 -7.406 1.00 10.49 C ATOM 1471 ND1 HIS A 730 7.825 -3.407 -7.057 1.00 11.66 N ATOM 1472 CD2 HIS A 730 7.215 -1.308 -6.633 1.00 12.15 C ATOM 1473 CE1 HIS A 730 8.584 -2.918 -6.085 1.00 11.16 C ATOM 1474 NE2 HIS A 730 8.244 -1.660 -5.794 1.00 11.52 N ATOM 1475 H HIS A 730 7.973 -1.886 -9.863 1.00 0.00 H ATOM 1476 N PHE A 731 4.999 -2.423 -11.481 1.00 9.66 N ATOM 1477 CA PHE A 731 4.007 -2.419 -12.542 1.00 11.04 C ATOM 1478 C PHE A 731 4.377 -3.415 -13.651 1.00 14.75 C ATOM 1479 O PHE A 731 3.506 -4.185 -14.065 1.00 12.60 O ATOM 1480 CB PHE A 731 3.822 -1.001 -13.120 1.00 13.62 C ATOM 1481 CG PHE A 731 2.949 -0.953 -14.360 1.00 16.30 C ATOM 1482 CD1 PHE A 731 1.581 -1.203 -14.281 1.00 19.58 C ATOM 1483 CD2 PHE A 731 3.502 -0.677 -15.606 1.00 18.03 C ATOM 1484 CE1 PHE A 731 0.778 -1.155 -15.430 1.00 20.14 C ATOM 1485 CE2 PHE A 731 2.701 -0.639 -16.748 1.00 21.25 C ATOM 1486 CZ PHE A 731 1.349 -0.880 -16.652 1.00 19.17 C ATOM 1487 H PHE A 731 5.518 -1.544 -11.283 1.00 0.00 H ATOM 1488 N ALA A 732 5.653 -3.420 -14.113 1.00 13.89 N ATOM 1489 CA ALA A 732 6.105 -4.334 -15.171 1.00 15.08 C ATOM 1490 C ALA A 732 5.967 -5.795 -14.728 1.00 15.91 C ATOM 1491 O ALA A 732 5.600 -6.638 -15.535 1.00 15.97 O ATOM 1492 CB ALA A 732 7.538 -4.042 -15.546 1.00 16.18 C ATOM 1493 H ALA A 732 6.336 -2.752 -13.703 1.00 0.00 H ATOM 1494 N GLN A 733 6.187 -6.071 -13.430 1.00 11.46 N ATOM 1495 CA GLN A 733 6.018 -7.416 -12.876 1.00 11.07 C ATOM 1496 C GLN A 733 4.546 -7.826 -12.887 1.00 13.97 C ATOM 1497 O GLN A 733 4.238 -8.987 -13.137 1.00 12.44 O ATOM 1498 CB GLN A 733 6.574 -7.499 -11.438 1.00 11.48 C ATOM 1499 CG GLN A 733 8.100 -7.445 -11.350 1.00 13.47 C ATOM 1500 CD GLN A 733 8.772 -8.629 -12.003 1.00 27.91 C ATOM 1501 OE1 GLN A 733 9.199 -8.576 -13.163 1.00 22.86 O ATOM 1502 NE2 GLN A 733 8.889 -9.717 -11.264 1.00 19.96 N ATOM 1503 HE22 GLN A 733 8.519 -9.728 -10.292 1.00 0.00 H ATOM 1504 HE21 GLN A 733 9.351 -10.563 -11.654 1.00 0.00 H ATOM 1505 H GLN A 733 6.488 -5.302 -12.798 1.00 0.00 H ATOM 1506 N ALA A 734 3.651 -6.881 -12.577 1.00 11.60 N ATOM 1507 CA ALA A 734 2.211 -7.127 -12.548 1.00 12.13 C ATOM 1508 C ALA A 734 1.724 -7.486 -13.956 1.00 17.85 C ATOM 1509 O ALA A 734 0.947 -8.435 -14.104 1.00 17.11 O ATOM 1510 CB ALA A 734 1.481 -5.889 -12.032 1.00 12.41 C ATOM 1511 H ALA A 734 3.996 -5.928 -12.346 1.00 0.00 H ATOM 1512 N ILE A 735 2.207 -6.739 -14.983 1.00 15.80 N ATOM 1513 CA ILE A 735 1.883 -6.969 -16.408 1.00 16.25 C ATOM 1514 C ILE A 735 2.405 -8.348 -16.830 1.00 19.26 C ATOM 1515 O ILE A 735 1.678 -9.105 -17.495 1.00 20.24 O ATOM 1516 CB ILE A 735 2.402 -5.820 -17.324 1.00 20.25 C ATOM 1517 CG1 ILE A 735 1.780 -4.441 -16.952 1.00 20.41 C ATOM 1518 CG2 ILE A 735 2.178 -6.118 -18.805 1.00 22.16 C ATOM 1519 CD1 ILE A 735 0.220 -4.415 -16.815 1.00 29.12 C ATOM 1520 H ILE A 735 2.847 -5.953 -14.752 1.00 0.00 H ATOM 1521 N ALA A 736 3.644 -8.662 -16.445 1.00 14.00 N ATOM 1522 CA ALA A 736 4.310 -9.950 -16.720 1.00 14.92 C ATOM 1523 C ALA A 736 3.476 -11.128 -16.158 1.00 17.73 C ATOM 1524 O ALA A 736 3.413 -12.184 -16.796 1.00 17.69 O ATOM 1525 CB ALA A 736 5.717 -9.969 -16.123 1.00 16.08 C ATOM 1526 H ALA A 736 4.179 -7.947 -15.912 1.00 0.00 H ATOM 1527 N ILE A 737 2.817 -10.940 -14.992 1.00 15.23 N ATOM 1528 CA ILE A 737 1.965 -12.004 -14.407 1.00 14.81 C ATOM 1529 C ILE A 737 0.729 -12.178 -15.274 1.00 18.25 C ATOM 1530 O ILE A 737 0.375 -13.310 -15.613 1.00 18.01 O ATOM 1531 CB ILE A 737 1.616 -11.775 -12.899 1.00 16.91 C ATOM 1532 CG1 ILE A 737 2.858 -12.043 -12.024 1.00 17.28 C ATOM 1533 CG2 ILE A 737 0.447 -12.703 -12.459 1.00 16.30 C ATOM 1534 CD1 ILE A 737 2.755 -11.575 -10.586 1.00 21.60 C ATOM 1535 H ILE A 737 2.910 -10.031 -14.495 1.00 0.00 H ATOM 1536 N LEU A 738 0.075 -11.054 -15.650 1.00 15.78 N ATOM 1537 CA LEU A 738 -1.108 -11.061 -16.519 1.00 15.67 C ATOM 1538 C LEU A 738 -0.764 -11.688 -17.881 1.00 21.13 C ATOM 1539 O LEU A 738 -1.580 -12.428 -18.439 1.00 20.37 O ATOM 1540 CB LEU A 738 -1.656 -9.634 -16.705 1.00 14.71 C ATOM 1541 CG LEU A 738 -2.331 -8.997 -15.487 1.00 18.00 C ATOM 1542 CD1 LEU A 738 -2.491 -7.493 -15.670 1.00 19.62 C ATOM 1543 CD2 LEU A 738 -3.674 -9.652 -15.163 1.00 15.90 C ATOM 1544 H LEU A 738 0.429 -10.139 -15.306 1.00 0.00 H ATOM 1545 N ASN A 739 0.474 -11.472 -18.362 1.00 19.19 N ATOM 1546 CA ASN A 739 0.929 -12.039 -19.637 1.00 21.13 C ATOM 1547 C ASN A 739 1.413 -13.498 -19.533 1.00 25.53 C ATOM 1548 O ASN A 739 1.767 -14.085 -20.558 1.00 25.61 O ATOM 1549 CB ASN A 739 1.955 -11.137 -20.312 1.00 20.88 C ATOM 1550 CG ASN A 739 1.311 -9.870 -20.831 1.00 42.50 C ATOM 1551 OD1 ASN A 739 0.170 -9.853 -21.329 1.00 34.10 O ATOM 1552 ND2 ASN A 739 2.042 -8.786 -20.747 1.00 31.27 N ATOM 1553 HD22 ASN A 739 2.992 -8.831 -20.326 1.00 0.00 H ATOM 1554 HD21 ASN A 739 1.672 -7.881 -21.101 1.00 0.00 H ATOM 1555 H ASN A 739 1.131 -10.883 -17.811 1.00 0.00 H ATOM 1556 N THR A 740 1.352 -14.104 -18.327 1.00 21.88 N ATOM 1557 CA THR A 740 1.672 -15.517 -18.127 1.00 21.41 C ATOM 1558 C THR A 740 0.396 -16.292 -18.479 1.00 25.38 C ATOM 1559 O THR A 740 -0.704 -15.921 -18.040 1.00 23.84 O ATOM 1560 CB THR A 740 2.144 -15.790 -16.700 1.00 24.22 C ATOM 1561 OG1 THR A 740 3.250 -14.943 -16.400 1.00 25.99 O ATOM 1562 CG2 THR A 740 2.504 -17.252 -16.466 1.00 19.23 C ATOM 1563 HG1 THR A 740 2.971 -13.997 -16.482 1.00 0.00 H ATOM 1564 H THR A 740 1.064 -13.539 -17.502 1.00 0.00 H ATOM 1565 N HIS A 741 0.545 -17.360 -19.270 1.00 23.17 N ATOM 1566 CA HIS A 741 -0.590 -18.167 -19.725 1.00 23.36 C ATOM 1567 C HIS A 741 -1.403 -18.683 -18.566 1.00 24.50 C ATOM 1568 O HIS A 741 -0.851 -19.238 -17.624 1.00 23.47 O ATOM 1569 CB HIS A 741 -0.121 -19.318 -20.622 1.00 25.79 C ATOM 1570 CG HIS A 741 -1.248 -20.179 -21.105 1.00 30.28 C ATOM 1571 ND1 HIS A 741 -2.091 -19.763 -22.119 1.00 32.50 N ATOM 1572 CD2 HIS A 741 -1.638 -21.405 -20.687 1.00 32.97 C ATOM 1573 CE1 HIS A 741 -2.957 -20.747 -22.290 1.00 32.35 C ATOM 1574 NE2 HIS A 741 -2.724 -21.756 -21.455 1.00 32.96 N ATOM 1575 H HIS A 741 1.503 -17.628 -19.574 1.00 0.00 H ATOM 1576 N GLY A 742 -2.702 -18.461 -18.632 1.00 22.04 N ATOM 1577 CA GLY A 742 -3.625 -18.903 -17.595 1.00 21.84 C ATOM 1578 C GLY A 742 -3.790 -17.966 -16.418 1.00 23.56 C ATOM 1579 O GLY A 742 -4.536 -18.293 -15.496 1.00 21.20 O ATOM 1580 H GLY A 742 -3.081 -17.951 -19.455 1.00 0.00 H ATOM 1581 N CYS A 743 -3.115 -16.782 -16.433 1.00 19.51 N ATOM 1582 CA CYS A 743 -3.169 -15.814 -15.334 1.00 19.30 C ATOM 1583 C CYS A 743 -3.872 -14.495 -15.681 1.00 20.21 C ATOM 1584 O CYS A 743 -3.964 -13.638 -14.802 1.00 20.96 O ATOM 1585 CB CYS A 743 -1.765 -15.549 -14.792 1.00 19.96 C ATOM 1586 SG CYS A 743 -0.945 -17.004 -14.093 1.00 24.92 S ATOM 1587 H CYS A 743 -2.533 -16.554 -17.265 1.00 0.00 H ATOM 1588 N ASN A 744 -4.323 -14.304 -16.936 1.00 15.36 N ATOM 1589 CA ASN A 744 -4.917 -13.012 -17.295 1.00 15.21 C ATOM 1590 C ASN A 744 -6.374 -12.890 -16.866 1.00 18.61 C ATOM 1591 O ASN A 744 -7.290 -13.257 -17.609 1.00 17.84 O ATOM 1592 CB ASN A 744 -4.729 -12.671 -18.765 1.00 13.74 C ATOM 1593 CG ASN A 744 -4.792 -11.205 -19.051 1.00 25.91 C ATOM 1594 OD1 ASN A 744 -5.428 -10.415 -18.336 1.00 18.39 O ATOM 1595 ND2 ASN A 744 -4.117 -10.801 -20.103 1.00 22.20 N ATOM 1596 HD22 ASN A 744 -3.594 -11.489 -20.681 1.00 0.00 H ATOM 1597 HD21 ASN A 744 -4.105 -9.793 -20.358 1.00 0.00 H ATOM 1598 H ASN A 744 -4.251 -15.064 -17.642 1.00 0.00 H ATOM 1599 N ILE A 745 -6.579 -12.325 -15.665 1.00 14.92 N ATOM 1600 CA ILE A 745 -7.912 -12.166 -15.077 1.00 14.40 C ATOM 1601 C ILE A 745 -8.809 -11.167 -15.859 1.00 19.10 C ATOM 1602 O ILE A 745 -10.026 -11.151 -15.626 1.00 18.13 O ATOM 1603 CB ILE A 745 -7.846 -11.843 -13.554 1.00 15.94 C ATOM 1604 CG1 ILE A 745 -7.019 -10.548 -13.261 1.00 15.05 C ATOM 1605 CG2 ILE A 745 -7.294 -13.057 -12.781 1.00 15.66 C ATOM 1606 CD1 ILE A 745 -7.174 -9.977 -11.844 1.00 17.45 C ATOM 1607 H ILE A 745 -5.755 -11.985 -15.128 1.00 0.00 H ATOM 1608 N PHE A 746 -8.216 -10.390 -16.802 1.00 17.31 N ATOM 1609 CA PHE A 746 -8.927 -9.391 -17.638 1.00 17.18 C ATOM 1610 C PHE A 746 -8.949 -9.727 -19.131 1.00 23.14 C ATOM 1611 O PHE A 746 -9.363 -8.879 -19.925 1.00 21.14 O ATOM 1612 CB PHE A 746 -8.281 -7.995 -17.485 1.00 17.57 C ATOM 1613 CG PHE A 746 -7.840 -7.562 -16.109 1.00 17.00 C ATOM 1614 CD1 PHE A 746 -8.749 -7.490 -15.060 1.00 19.37 C ATOM 1615 CD2 PHE A 746 -6.540 -7.122 -15.888 1.00 18.12 C ATOM 1616 CE1 PHE A 746 -8.338 -7.060 -13.789 1.00 19.62 C ATOM 1617 CE2 PHE A 746 -6.139 -6.685 -14.625 1.00 20.94 C ATOM 1618 CZ PHE A 746 -7.044 -6.655 -13.590 1.00 18.46 C ATOM 1619 H PHE A 746 -7.193 -10.503 -16.948 1.00 0.00 H ATOM 1620 N ASP A 747 -8.511 -10.936 -19.532 1.00 23.46 N ATOM 1621 CA ASP A 747 -8.399 -11.289 -20.954 1.00 24.74 C ATOM 1622 C ASP A 747 -9.736 -11.280 -21.730 1.00 30.30 C ATOM 1623 O ASP A 747 -9.708 -11.114 -22.948 1.00 31.28 O ATOM 1624 CB ASP A 747 -7.643 -12.620 -21.166 1.00 27.49 C ATOM 1625 CG ASP A 747 -8.208 -13.862 -20.509 1.00 43.35 C ATOM 1626 OD1 ASP A 747 -9.336 -13.798 -19.978 1.00 45.16 O ATOM 1627 OD2 ASP A 747 -7.510 -14.898 -20.508 1.00 55.90 O ATOM 1628 H ASP A 747 -8.244 -11.640 -18.814 1.00 0.00 H ATOM 1629 N HIS A 748 -10.885 -11.408 -21.031 1.00 25.63 N ATOM 1630 CA HIS A 748 -12.229 -11.388 -21.629 1.00 24.88 C ATOM 1631 C HIS A 748 -12.794 -9.962 -21.679 1.00 27.81 C ATOM 1632 O HIS A 748 -13.854 -9.759 -22.258 1.00 29.10 O ATOM 1633 CB HIS A 748 -13.180 -12.298 -20.827 1.00 25.73 C ATOM 1634 CG HIS A 748 -13.340 -11.849 -19.411 1.00 28.37 C ATOM 1635 ND1 HIS A 748 -12.271 -11.883 -18.519 1.00 29.17 N ATOM 1636 CD2 HIS A 748 -14.406 -11.293 -18.797 1.00 29.37 C ATOM 1637 CE1 HIS A 748 -12.731 -11.375 -17.393 1.00 28.09 C ATOM 1638 NE2 HIS A 748 -14.013 -11.014 -17.512 1.00 28.72 N ATOM 1639 H HIS A 748 -10.815 -11.529 -20.000 1.00 0.00 H ATOM 1640 N PHE A 749 -12.106 -8.967 -21.056 1.00 22.49 N ATOM 1641 CA PHE A 749 -12.578 -7.576 -21.062 1.00 22.02 C ATOM 1642 C PHE A 749 -12.547 -7.009 -22.475 1.00 27.14 C ATOM 1643 O PHE A 749 -11.755 -7.461 -23.304 1.00 26.65 O ATOM 1644 CB PHE A 749 -11.683 -6.684 -20.162 1.00 23.04 C ATOM 1645 CG PHE A 749 -11.914 -6.657 -18.669 1.00 23.17 C ATOM 1646 CD1 PHE A 749 -12.550 -7.719 -18.018 1.00 25.36 C ATOM 1647 CD2 PHE A 749 -11.434 -5.600 -17.897 1.00 23.46 C ATOM 1648 CE1 PHE A 749 -12.727 -7.708 -16.633 1.00 25.72 C ATOM 1649 CE2 PHE A 749 -11.608 -5.593 -16.511 1.00 25.56 C ATOM 1650 CZ PHE A 749 -12.244 -6.653 -15.887 1.00 24.35 C ATOM 1651 H PHE A 749 -11.221 -9.198 -20.561 1.00 0.00 H ATOM 1652 N SER A 750 -13.386 -5.995 -22.750 1.00 26.99 N ATOM 1653 CA SER A 750 -13.360 -5.308 -24.039 1.00 28.34 C ATOM 1654 C SER A 750 -12.008 -4.573 -24.131 1.00 33.80 C ATOM 1655 O SER A 750 -11.401 -4.275 -23.092 1.00 31.69 O ATOM 1656 CB SER A 750 -14.505 -4.300 -24.136 1.00 31.46 C ATOM 1657 OG SER A 750 -14.301 -3.195 -23.271 1.00 35.49 O ATOM 1658 HG SER A 750 -14.244 -3.515 -22.336 1.00 0.00 H ATOM 1659 H SER A 750 -14.070 -5.692 -22.028 1.00 0.00 H ATOM 1660 N ARG A 751 -11.544 -4.299 -25.365 1.00 31.44 N ATOM 1661 CA ARG A 751 -10.294 -3.594 -25.652 1.00 31.85 C ATOM 1662 C ARG A 751 -10.190 -2.303 -24.843 1.00 33.53 C ATOM 1663 O ARG A 751 -9.137 -2.040 -24.269 1.00 31.78 O ATOM 1664 CB ARG A 751 -10.240 -3.273 -27.146 1.00 35.24 C ATOM 1665 CG ARG A 751 -8.851 -3.055 -27.699 1.00 49.38 C ATOM 1666 CD ARG A 751 -8.821 -2.016 -28.803 1.00 60.88 C ATOM 1667 NE ARG A 751 -9.586 -2.402 -29.993 1.00 66.49 N ATOM 1668 CZ ARG A 751 -10.755 -1.870 -30.342 1.00 73.21 C ATOM 1669 NH1 ARG A 751 -11.326 -0.945 -29.577 1.00 54.63 N ATOM 1670 NH2 ARG A 751 -11.373 -2.276 -31.443 1.00 53.41 N ATOM 1671 HE ARG A 751 -9.188 -3.142 -30.606 1.00 0.00 H ATOM 1672 HH12 ARG A 751 -12.240 -0.532 -29.854 1.00 0.00 H ATOM 1673 HH11 ARG A 751 -10.859 -0.634 -28.701 1.00 0.00 H ATOM 1674 HH22 ARG A 751 -12.286 -1.857 -31.711 1.00 0.00 H ATOM 1675 HH21 ARG A 751 -10.944 -3.013 -32.038 1.00 0.00 H ATOM 1676 H ARG A 751 -12.117 -4.612 -26.175 1.00 0.00 H ATOM 1677 N LYS A 752 -11.286 -1.521 -24.781 1.00 29.95 N ATOM 1678 CA LYS A 752 -11.367 -0.271 -24.022 1.00 30.05 C ATOM 1679 C LYS A 752 -11.262 -0.501 -22.519 1.00 32.43 C ATOM 1680 O LYS A 752 -10.540 0.248 -21.853 1.00 31.73 O ATOM 1681 CB LYS A 752 -12.648 0.513 -24.357 1.00 33.58 C ATOM 1682 CG LYS A 752 -12.522 1.362 -25.617 1.00 48.21 C ATOM 1683 CD LYS A 752 -13.678 2.344 -25.772 1.00 60.92 C ATOM 1684 CE LYS A 752 -13.466 3.266 -26.946 1.00 74.03 C ATOM 1685 NZ LYS A 752 -14.569 4.249 -27.071 1.00 86.75 N ATOM 1686 HZ1 LYS A 752 -15.468 3.744 -27.206 1.00 0.00 H ATOM 1687 HZ2 LYS A 752 -14.620 4.823 -26.205 1.00 0.00 H ATOM 1688 HZ3 LYS A 752 -14.390 4.867 -27.888 1.00 0.00 H ATOM 1689 H LYS A 752 -12.130 -1.825 -25.307 1.00 0.00 H ATOM 1690 N ASP A 753 -11.974 -1.522 -21.973 1.00 25.50 N ATOM 1691 CA ASP A 753 -11.917 -1.801 -20.531 1.00 24.15 C ATOM 1692 C ASP A 753 -10.566 -2.363 -20.111 1.00 23.25 C ATOM 1693 O ASP A 753 -10.101 -2.053 -19.021 1.00 20.50 O ATOM 1694 CB ASP A 753 -13.065 -2.720 -20.073 1.00 26.90 C ATOM 1695 CG ASP A 753 -14.442 -2.070 -20.160 1.00 43.80 C ATOM 1696 OD1 ASP A 753 -14.541 -0.846 -19.919 1.00 45.23 O ATOM 1697 OD2 ASP A 753 -15.421 -2.789 -20.457 1.00 49.60 O ATOM 1698 H ASP A 753 -12.569 -2.116 -22.586 1.00 0.00 H ATOM 1699 N TYR A 754 -9.933 -3.170 -20.981 1.00 20.54 N ATOM 1700 CA TYR A 754 -8.615 -3.754 -20.720 1.00 19.73 C ATOM 1701 C TYR A 754 -7.569 -2.639 -20.669 1.00 21.09 C ATOM 1702 O TYR A 754 -6.724 -2.608 -19.761 1.00 16.68 O ATOM 1703 CB TYR A 754 -8.262 -4.776 -21.810 1.00 21.84 C ATOM 1704 CG TYR A 754 -6.997 -5.547 -21.526 1.00 22.61 C ATOM 1705 CD1 TYR A 754 -6.989 -6.602 -20.618 1.00 24.82 C ATOM 1706 CD2 TYR A 754 -5.801 -5.218 -22.159 1.00 23.23 C ATOM 1707 CE1 TYR A 754 -5.825 -7.313 -20.348 1.00 23.06 C ATOM 1708 CE2 TYR A 754 -4.633 -5.933 -21.911 1.00 24.13 C ATOM 1709 CZ TYR A 754 -4.644 -6.966 -20.985 1.00 30.25 C ATOM 1710 OH TYR A 754 -3.504 -7.682 -20.714 1.00 28.90 O ATOM 1711 HH TYR A 754 -2.805 -7.070 -20.371 1.00 0.00 H ATOM 1712 H TYR A 754 -10.402 -3.390 -21.883 1.00 0.00 H ATOM 1713 N GLN A 755 -7.624 -1.731 -21.674 1.00 19.88 N ATOM 1714 CA GLN A 755 -6.748 -0.568 -21.799 1.00 21.03 C ATOM 1715 C GLN A 755 -6.905 0.298 -20.557 1.00 23.83 C ATOM 1716 O GLN A 755 -5.894 0.715 -19.990 1.00 23.02 O ATOM 1717 CB GLN A 755 -7.063 0.216 -23.094 1.00 23.80 C ATOM 1718 CG GLN A 755 -5.990 1.217 -23.501 1.00 45.92 C ATOM 1719 CD GLN A 755 -6.450 2.078 -24.656 1.00 77.12 C ATOM 1720 OE1 GLN A 755 -6.612 1.609 -25.792 1.00 76.44 O ATOM 1721 NE2 GLN A 755 -6.633 3.368 -24.403 1.00 70.72 N ATOM 1722 HE22 GLN A 755 -6.490 3.734 -23.440 1.00 0.00 H ATOM 1723 HE21 GLN A 755 -6.919 4.012 -25.167 1.00 0.00 H ATOM 1724 H GLN A 755 -8.344 -1.873 -22.411 1.00 0.00 H ATOM 1725 N ARG A 756 -8.160 0.535 -20.113 1.00 20.08 N ATOM 1726 CA ARG A 756 -8.465 1.328 -18.915 1.00 19.57 C ATOM 1727 C ARG A 756 -7.865 0.709 -17.641 1.00 19.93 C ATOM 1728 O ARG A 756 -7.206 1.425 -16.879 1.00 18.15 O ATOM 1729 CB ARG A 756 -9.987 1.570 -18.793 1.00 19.70 C ATOM 1730 CG ARG A 756 -10.445 2.338 -17.548 1.00 26.74 C ATOM 1731 CD ARG A 756 -10.203 3.840 -17.600 1.00 30.13 C ATOM 1732 NE ARG A 756 -10.912 4.512 -16.507 1.00 34.23 N ATOM 1733 CZ ARG A 756 -10.419 5.503 -15.768 1.00 37.00 C ATOM 1734 NH1 ARG A 756 -11.144 6.032 -14.792 1.00 26.28 N ATOM 1735 NH2 ARG A 756 -9.202 5.977 -16.003 1.00 9.64 N ATOM 1736 HE ARG A 756 -11.877 4.189 -16.292 1.00 0.00 H ATOM 1737 HH12 ARG A 756 -10.755 6.806 -14.217 1.00 0.00 H ATOM 1738 HH11 ARG A 756 -12.101 5.673 -14.602 1.00 0.00 H ATOM 1739 HH22 ARG A 756 -8.824 6.752 -15.421 1.00 0.00 H ATOM 1740 HH21 ARG A 756 -8.626 5.574 -16.769 1.00 0.00 H ATOM 1741 H ARG A 756 -8.954 0.133 -20.650 1.00 0.00 H ATOM 1742 N MET A 757 -8.047 -0.619 -17.439 1.00 15.01 N ATOM 1743 CA MET A 757 -7.522 -1.348 -16.277 1.00 15.36 C ATOM 1744 C MET A 757 -6.014 -1.206 -16.179 1.00 18.06 C ATOM 1745 O MET A 757 -5.506 -0.894 -15.111 1.00 17.72 O ATOM 1746 CB MET A 757 -7.890 -2.848 -16.336 1.00 18.09 C ATOM 1747 CG MET A 757 -7.427 -3.609 -15.147 1.00 23.09 C ATOM 1748 SD MET A 757 -8.034 -3.057 -13.509 1.00 29.02 S ATOM 1749 CE MET A 757 -9.751 -3.273 -13.733 1.00 24.70 C ATOM 1750 H MET A 757 -8.590 -1.153 -18.148 1.00 0.00 H ATOM 1751 N LEU A 758 -5.302 -1.417 -17.302 1.00 16.80 N ATOM 1752 CA LEU A 758 -3.859 -1.378 -17.261 1.00 18.01 C ATOM 1753 C LEU A 758 -3.315 0.043 -17.051 1.00 20.40 C ATOM 1754 O LEU A 758 -2.295 0.199 -16.373 1.00 19.99 O ATOM 1755 CB LEU A 758 -3.270 -2.087 -18.477 1.00 19.40 C ATOM 1756 CG LEU A 758 -3.014 -3.600 -18.292 1.00 24.50 C ATOM 1757 CD1 LEU A 758 -4.268 -4.383 -17.874 1.00 24.29 C ATOM 1758 CD2 LEU A 758 -2.483 -4.199 -19.558 1.00 27.99 C ATOM 1759 H LEU A 758 -5.791 -1.608 -18.199 1.00 0.00 H ATOM 1760 N ASP A 759 -4.034 1.067 -17.538 1.00 16.87 N ATOM 1761 CA ASP A 759 -3.683 2.471 -17.353 1.00 17.87 C ATOM 1762 C ASP A 759 -3.908 2.875 -15.896 1.00 19.23 C ATOM 1763 O ASP A 759 -3.067 3.586 -15.326 1.00 18.95 O ATOM 1764 CB ASP A 759 -4.537 3.355 -18.270 1.00 20.89 C ATOM 1765 CG ASP A 759 -4.036 4.779 -18.378 1.00 34.89 C ATOM 1766 OD1 ASP A 759 -2.880 4.969 -18.808 1.00 36.30 O ATOM 1767 OD2 ASP A 759 -4.823 5.709 -18.088 1.00 40.85 O ATOM 1768 H ASP A 759 -4.894 0.846 -18.080 1.00 0.00 H ATOM 1769 N LEU A 760 -5.053 2.444 -15.291 1.00 13.27 N ATOM 1770 CA LEU A 760 -5.322 2.708 -13.868 1.00 12.79 C ATOM 1771 C LEU A 760 -4.240 2.050 -13.020 1.00 15.84 C ATOM 1772 O LEU A 760 -3.689 2.687 -12.136 1.00 14.64 O ATOM 1773 CB LEU A 760 -6.703 2.176 -13.449 1.00 12.86 C ATOM 1774 CG LEU A 760 -7.919 3.001 -13.899 1.00 17.68 C ATOM 1775 CD1 LEU A 760 -9.202 2.169 -13.808 1.00 16.05 C ATOM 1776 CD2 LEU A 760 -8.067 4.246 -13.044 1.00 21.59 C ATOM 1777 H LEU A 760 -5.753 1.916 -15.850 1.00 0.00 H ATOM 1778 N MET A 761 -3.876 0.807 -13.346 1.00 13.32 N ATOM 1779 CA MET A 761 -2.841 0.070 -12.621 1.00 12.53 C ATOM 1780 C MET A 761 -1.509 0.809 -12.646 1.00 16.23 C ATOM 1781 O MET A 761 -0.892 0.994 -11.596 1.00 13.00 O ATOM 1782 CB MET A 761 -2.722 -1.347 -13.176 1.00 14.62 C ATOM 1783 CG MET A 761 -3.849 -2.243 -12.720 1.00 18.17 C ATOM 1784 SD MET A 761 -3.607 -3.960 -13.199 1.00 22.97 S ATOM 1785 CE MET A 761 -2.039 -4.342 -12.366 1.00 20.42 C ATOM 1786 H MET A 761 -4.348 0.344 -14.149 1.00 0.00 H ATOM 1787 N ARG A 762 -1.112 1.316 -13.822 1.00 14.49 N ATOM 1788 CA ARG A 762 0.109 2.114 -13.944 1.00 14.65 C ATOM 1789 C ARG A 762 0.052 3.349 -13.018 1.00 19.09 C ATOM 1790 O ARG A 762 0.946 3.549 -12.196 1.00 16.68 O ATOM 1791 CB ARG A 762 0.311 2.542 -15.408 1.00 14.54 C ATOM 1792 CG ARG A 762 1.436 3.553 -15.581 1.00 23.55 C ATOM 1793 CD ARG A 762 1.025 4.696 -16.505 1.00 33.61 C ATOM 1794 NE ARG A 762 2.198 5.478 -16.903 1.00 40.83 N ATOM 1795 CZ ARG A 762 2.526 6.668 -16.405 1.00 54.98 C ATOM 1796 NH1 ARG A 762 1.754 7.252 -15.493 1.00 43.06 N ATOM 1797 NH2 ARG A 762 3.634 7.279 -16.807 1.00 34.95 N ATOM 1798 HE ARG A 762 2.822 5.073 -17.630 1.00 0.00 H ATOM 1799 HH12 ARG A 762 2.016 8.182 -15.108 1.00 0.00 H ATOM 1800 HH11 ARG A 762 0.888 6.779 -15.165 1.00 0.00 H ATOM 1801 HH22 ARG A 762 3.887 8.209 -16.415 1.00 0.00 H ATOM 1802 HH21 ARG A 762 4.249 6.828 -17.514 1.00 0.00 H ATOM 1803 H ARG A 762 -1.687 1.138 -14.670 1.00 0.00 H ATOM 1804 N ASP A 763 -0.985 4.173 -13.174 1.00 16.98 N ATOM 1805 CA ASP A 763 -1.155 5.396 -12.390 1.00 17.21 C ATOM 1806 C ASP A 763 -1.125 5.133 -10.891 1.00 17.78 C ATOM 1807 O ASP A 763 -0.443 5.855 -10.164 1.00 17.56 O ATOM 1808 CB ASP A 763 -2.462 6.111 -12.770 1.00 20.22 C ATOM 1809 CG ASP A 763 -2.515 6.685 -14.186 1.00 30.25 C ATOM 1810 OD1 ASP A 763 -1.474 6.667 -14.881 1.00 32.36 O ATOM 1811 OD2 ASP A 763 -3.583 7.185 -14.578 1.00 35.66 O ATOM 1812 H ASP A 763 -1.705 3.935 -13.885 1.00 0.00 H ATOM 1813 N ILE A 764 -1.883 4.126 -10.437 1.00 11.96 N ATOM 1814 CA ILE A 764 -1.995 3.774 -9.016 1.00 11.75 C ATOM 1815 C ILE A 764 -0.669 3.213 -8.507 1.00 15.49 C ATOM 1816 O ILE A 764 -0.219 3.634 -7.446 1.00 15.86 O ATOM 1817 CB ILE A 764 -3.205 2.815 -8.760 1.00 13.68 C ATOM 1818 CG1 ILE A 764 -4.551 3.500 -9.166 1.00 14.05 C ATOM 1819 CG2 ILE A 764 -3.284 2.364 -7.297 1.00 12.70 C ATOM 1820 CD1 ILE A 764 -5.716 2.548 -9.308 1.00 20.66 C ATOM 1821 H ILE A 764 -2.420 3.564 -11.128 1.00 0.00 H ATOM 1822 N ILE A 765 -0.034 2.265 -9.242 1.00 12.32 N ATOM 1823 CA ILE A 765 1.254 1.736 -8.739 1.00 11.62 C ATOM 1824 C ILE A 765 2.328 2.859 -8.700 1.00 15.49 C ATOM 1825 O ILE A 765 3.074 2.940 -7.727 1.00 15.82 O ATOM 1826 CB ILE A 765 1.695 0.449 -9.484 1.00 15.18 C ATOM 1827 CG1 ILE A 765 0.689 -0.722 -9.175 1.00 14.92 C ATOM 1828 CG2 ILE A 765 3.150 0.066 -9.130 1.00 17.40 C ATOM 1829 CD1 ILE A 765 0.840 -1.984 -10.010 1.00 18.92 C ATOM 1830 H ILE A 765 -0.441 1.920 -10.134 1.00 0.00 H ATOM 1831 N LEU A 766 2.370 3.742 -9.718 1.00 12.00 N ATOM 1832 CA LEU A 766 3.330 4.852 -9.721 1.00 11.79 C ATOM 1833 C LEU A 766 3.053 5.850 -8.591 1.00 15.11 C ATOM 1834 O LEU A 766 3.993 6.447 -8.060 1.00 15.79 O ATOM 1835 CB LEU A 766 3.355 5.565 -11.080 1.00 12.05 C ATOM 1836 CG LEU A 766 4.099 4.853 -12.214 1.00 15.37 C ATOM 1837 CD1 LEU A 766 3.876 5.565 -13.514 1.00 16.11 C ATOM 1838 CD2 LEU A 766 5.609 4.796 -11.947 1.00 16.40 C ATOM 1839 H LEU A 766 1.711 3.635 -10.515 1.00 0.00 H ATOM 1840 N ALA A 767 1.771 5.984 -8.187 1.00 11.61 N ATOM 1841 CA ALA A 767 1.371 6.885 -7.086 1.00 12.57 C ATOM 1842 C ALA A 767 1.932 6.412 -5.726 1.00 16.05 C ATOM 1843 O ALA A 767 1.986 7.216 -4.790 1.00 16.01 O ATOM 1844 CB ALA A 767 -0.139 7.007 -7.018 1.00 12.66 C ATOM 1845 H ALA A 767 1.035 5.430 -8.671 1.00 0.00 H ATOM 1846 N THR A 768 2.391 5.135 -5.628 1.00 12.91 N ATOM 1847 CA THR A 768 2.972 4.592 -4.394 1.00 12.41 C ATOM 1848 C THR A 768 4.379 5.172 -4.118 1.00 17.25 C ATOM 1849 O THR A 768 4.901 4.970 -3.024 1.00 17.42 O ATOM 1850 CB THR A 768 2.991 3.052 -4.343 1.00 17.92 C ATOM 1851 OG1 THR A 768 3.905 2.570 -5.311 1.00 15.61 O ATOM 1852 CG2 THR A 768 1.645 2.433 -4.526 1.00 14.67 C ATOM 1853 HG1 THR A 768 3.621 2.871 -6.210 1.00 0.00 H ATOM 1854 H THR A 768 2.328 4.518 -6.462 1.00 0.00 H ATOM 1855 N ASP A 769 5.010 5.843 -5.118 1.00 14.17 N ATOM 1856 CA ASP A 769 6.290 6.513 -4.872 1.00 13.94 C ATOM 1857 C ASP A 769 5.937 7.732 -4.015 1.00 19.39 C ATOM 1858 O ASP A 769 5.171 8.589 -4.458 1.00 18.63 O ATOM 1859 CB ASP A 769 6.979 6.940 -6.186 1.00 15.26 C ATOM 1860 CG ASP A 769 8.375 7.544 -6.009 1.00 19.52 C ATOM 1861 OD1 ASP A 769 8.785 7.786 -4.857 1.00 22.26 O ATOM 1862 OD2 ASP A 769 9.044 7.779 -7.014 1.00 20.87 O ATOM 1863 H ASP A 769 4.581 5.881 -6.065 1.00 0.00 H ATOM 1864 N LEU A 770 6.434 7.783 -2.767 1.00 19.51 N ATOM 1865 CA LEU A 770 6.154 8.909 -1.876 1.00 20.06 C ATOM 1866 C LEU A 770 6.645 10.251 -2.439 1.00 22.79 C ATOM 1867 O LEU A 770 6.074 11.285 -2.099 1.00 22.87 O ATOM 1868 CB LEU A 770 6.653 8.674 -0.437 1.00 20.55 C ATOM 1869 CG LEU A 770 5.750 7.729 0.386 1.00 26.28 C ATOM 1870 CD1 LEU A 770 6.474 7.189 1.602 1.00 27.22 C ATOM 1871 CD2 LEU A 770 4.418 8.391 0.782 1.00 28.55 C ATOM 1872 H LEU A 770 7.032 7.003 -2.427 1.00 0.00 H ATOM 1873 N ALA A 771 7.621 10.234 -3.368 1.00 19.06 N ATOM 1874 CA ALA A 771 8.096 11.449 -4.044 1.00 19.23 C ATOM 1875 C ALA A 771 6.958 11.992 -4.932 1.00 22.94 C ATOM 1876 O ALA A 771 6.765 13.206 -5.011 1.00 22.83 O ATOM 1877 CB ALA A 771 9.332 11.146 -4.889 1.00 20.45 C ATOM 1878 H ALA A 771 8.056 9.323 -3.617 1.00 0.00 H ATOM 1879 N HIS A 772 6.169 11.087 -5.545 1.00 18.18 N ATOM 1880 CA HIS A 772 5.005 11.468 -6.354 1.00 18.26 C ATOM 1881 C HIS A 772 3.945 12.070 -5.423 1.00 19.54 C ATOM 1882 O HIS A 772 3.372 13.104 -5.753 1.00 20.23 O ATOM 1883 CB HIS A 772 4.422 10.253 -7.117 1.00 18.31 C ATOM 1884 CG HIS A 772 3.202 10.597 -7.917 1.00 22.53 C ATOM 1885 ND1 HIS A 772 1.936 10.528 -7.365 1.00 24.49 N ATOM 1886 CD2 HIS A 772 3.100 11.047 -9.191 1.00 25.71 C ATOM 1887 CE1 HIS A 772 1.100 10.910 -8.319 1.00 25.17 C ATOM 1888 NE2 HIS A 772 1.754 11.228 -9.442 1.00 25.97 N ATOM 1889 H HIS A 772 6.394 10.077 -5.440 1.00 0.00 H ATOM 1890 N HIS A 773 3.708 11.434 -4.248 1.00 16.26 N ATOM 1891 CA HIS A 773 2.734 11.941 -3.275 1.00 16.46 C ATOM 1892 C HIS A 773 3.078 13.380 -2.864 1.00 22.50 C ATOM 1893 O HIS A 773 2.198 14.244 -2.836 1.00 23.20 O ATOM 1894 CB HIS A 773 2.639 11.030 -2.027 1.00 16.06 C ATOM 1895 CG HIS A 773 1.890 11.674 -0.900 1.00 20.19 C ATOM 1896 ND1 HIS A 773 0.518 11.880 -0.966 1.00 21.91 N ATOM 1897 CD2 HIS A 773 2.362 12.244 0.237 1.00 23.07 C ATOM 1898 CE1 HIS A 773 0.202 12.541 0.134 1.00 22.63 C ATOM 1899 NE2 HIS A 773 1.277 12.781 0.890 1.00 22.96 N ATOM 1900 H HIS A 773 4.232 10.562 -4.031 1.00 0.00 H ATOM 1901 N LEU A 774 4.359 13.627 -2.549 1.00 21.13 N ATOM 1902 CA LEU A 774 4.815 14.947 -2.129 1.00 21.80 C ATOM 1903 C LEU A 774 4.671 15.987 -3.231 1.00 25.11 C ATOM 1904 O LEU A 774 4.334 17.129 -2.923 1.00 25.44 O ATOM 1905 CB LEU A 774 6.234 14.910 -1.545 1.00 22.13 C ATOM 1906 CG LEU A 774 6.384 14.090 -0.255 1.00 26.37 C ATOM 1907 CD1 LEU A 774 7.828 13.707 -0.007 1.00 26.02 C ATOM 1908 CD2 LEU A 774 5.774 14.794 0.937 1.00 30.93 C ATOM 1909 H LEU A 774 5.049 12.851 -2.606 1.00 0.00 H ATOM 1910 N ARG A 775 4.849 15.584 -4.508 1.00 21.76 N ATOM 1911 CA ARG A 775 4.669 16.470 -5.665 1.00 22.84 C ATOM 1912 C ARG A 775 3.199 16.882 -5.826 1.00 26.58 C ATOM 1913 O ARG A 775 2.928 18.037 -6.154 1.00 26.35 O ATOM 1914 CB ARG A 775 5.150 15.796 -6.963 1.00 25.02 C ATOM 1915 CG ARG A 775 6.661 15.800 -7.155 1.00 40.56 C ATOM 1916 CD ARG A 775 7.078 15.530 -8.598 1.00 49.55 C ATOM 1917 NE ARG A 775 6.581 14.251 -9.126 1.00 49.59 N ATOM 1918 CZ ARG A 775 7.187 13.075 -8.967 1.00 58.14 C ATOM 1919 NH1 ARG A 775 8.313 12.987 -8.271 1.00 44.35 N ATOM 1920 NH2 ARG A 775 6.663 11.976 -9.495 1.00 45.35 N ATOM 1921 HE ARG A 775 5.691 14.265 -9.663 1.00 0.00 H ATOM 1922 HH12 ARG A 775 8.780 12.065 -8.152 1.00 0.00 H ATOM 1923 HH11 ARG A 775 8.729 13.840 -7.845 1.00 0.00 H ATOM 1924 HH22 ARG A 775 7.139 11.060 -9.368 1.00 0.00 H ATOM 1925 HH21 ARG A 775 5.776 12.031 -10.035 1.00 0.00 H ATOM 1926 H ARG A 775 5.127 14.597 -4.680 1.00 0.00 H ATOM 1927 N ILE A 776 2.252 15.942 -5.621 1.00 21.29 N ATOM 1928 CA ILE A 776 0.816 16.225 -5.806 1.00 20.75 C ATOM 1929 C ILE A 776 0.110 16.712 -4.533 1.00 23.63 C ATOM 1930 O ILE A 776 -1.090 16.996 -4.595 1.00 21.48 O ATOM 1931 CB ILE A 776 0.055 15.019 -6.443 1.00 22.26 C ATOM 1932 CG1 ILE A 776 -0.058 13.815 -5.468 1.00 21.23 C ATOM 1933 CG2 ILE A 776 0.674 14.612 -7.797 1.00 22.97 C ATOM 1934 CD1 ILE A 776 -1.289 12.894 -5.773 1.00 16.38 C ATOM 1935 H ILE A 776 2.544 14.989 -5.324 1.00 0.00 H ATOM 1936 N PHE A 777 0.828 16.791 -3.392 1.00 20.89 N ATOM 1937 CA PHE A 777 0.239 17.179 -2.103 1.00 21.89 C ATOM 1938 C PHE A 777 -0.607 18.466 -2.153 1.00 26.57 C ATOM 1939 O PHE A 777 -1.721 18.479 -1.615 1.00 24.75 O ATOM 1940 CB PHE A 777 1.305 17.261 -0.988 1.00 24.04 C ATOM 1941 CG PHE A 777 0.686 17.375 0.387 1.00 26.05 C ATOM 1942 CD1 PHE A 777 0.147 16.261 1.018 1.00 29.52 C ATOM 1943 CD2 PHE A 777 0.627 18.601 1.043 1.00 29.76 C ATOM 1944 CE1 PHE A 777 -0.440 16.374 2.283 1.00 30.47 C ATOM 1945 CE2 PHE A 777 0.048 18.710 2.309 1.00 33.07 C ATOM 1946 CZ PHE A 777 -0.499 17.602 2.911 1.00 30.61 C ATOM 1947 H PHE A 777 1.843 16.567 -3.427 1.00 0.00 H ATOM 1948 N LYS A 778 -0.106 19.530 -2.812 1.00 24.70 N ATOM 1949 CA LYS A 778 -0.860 20.788 -2.916 1.00 25.47 C ATOM 1950 C LYS A 778 -2.141 20.631 -3.751 1.00 28.28 C ATOM 1951 O LYS A 778 -3.150 21.239 -3.412 1.00 26.75 O ATOM 1952 CB LYS A 778 0.020 21.956 -3.406 1.00 29.65 C ATOM 1953 CG LYS A 778 1.046 22.370 -2.364 1.00 48.81 C ATOM 1954 CD LYS A 778 1.669 23.709 -2.655 1.00 64.61 C ATOM 1955 CE LYS A 778 2.548 24.130 -1.506 1.00 75.79 C ATOM 1956 NZ LYS A 778 3.304 25.360 -1.829 1.00 87.23 N ATOM 1957 HZ1 LYS A 778 3.905 25.188 -2.660 1.00 0.00 H ATOM 1958 HZ2 LYS A 778 2.637 26.131 -2.036 1.00 0.00 H ATOM 1959 HZ3 LYS A 778 3.899 25.623 -1.018 1.00 0.00 H ATOM 1960 H LYS A 778 0.832 19.460 -3.255 1.00 0.00 H ATOM 1961 N ASP A 779 -2.121 19.764 -4.788 1.00 24.99 N ATOM 1962 CA ASP A 779 -3.316 19.498 -5.600 1.00 25.05 C ATOM 1963 C ASP A 779 -4.356 18.735 -4.771 1.00 27.70 C ATOM 1964 O ASP A 779 -5.552 18.988 -4.913 1.00 26.44 O ATOM 1965 CB ASP A 779 -2.964 18.735 -6.891 1.00 27.05 C ATOM 1966 CG ASP A 779 -2.036 19.491 -7.828 1.00 45.72 C ATOM 1967 OD1 ASP A 779 -2.299 20.689 -8.090 1.00 48.41 O ATOM 1968 OD2 ASP A 779 -1.039 18.886 -8.294 1.00 54.44 O ATOM 1969 H ASP A 779 -1.234 19.271 -5.017 1.00 0.00 H ATOM 1970 N LEU A 780 -3.889 17.836 -3.876 1.00 22.67 N ATOM 1971 CA LEU A 780 -4.742 17.079 -2.955 1.00 21.07 C ATOM 1972 C LEU A 780 -5.413 18.013 -1.953 1.00 26.99 C ATOM 1973 O LEU A 780 -6.614 17.876 -1.711 1.00 26.55 O ATOM 1974 CB LEU A 780 -3.954 15.975 -2.224 1.00 19.65 C ATOM 1975 CG LEU A 780 -3.467 14.791 -3.069 1.00 21.13 C ATOM 1976 CD1 LEU A 780 -2.543 13.914 -2.276 1.00 19.81 C ATOM 1977 CD2 LEU A 780 -4.632 13.968 -3.601 1.00 23.15 C ATOM 1978 H LEU A 780 -2.863 17.672 -3.839 1.00 0.00 H ATOM 1979 N GLN A 781 -4.646 18.976 -1.396 1.00 25.49 N ATOM 1980 CA GLN A 781 -5.154 19.990 -0.458 1.00 26.85 C ATOM 1981 C GLN A 781 -6.216 20.857 -1.145 1.00 31.80 C ATOM 1982 O GLN A 781 -7.265 21.129 -0.555 1.00 31.39 O ATOM 1983 CB GLN A 781 -4.021 20.899 0.045 1.00 28.85 C ATOM 1984 CG GLN A 781 -3.015 20.240 0.971 1.00 38.18 C ATOM 1985 CD GLN A 781 -2.054 21.264 1.522 1.00 47.29 C ATOM 1986 OE1 GLN A 781 -1.278 21.897 0.786 1.00 35.76 O ATOM 1987 NE2 GLN A 781 -2.071 21.442 2.837 1.00 37.11 N ATOM 1988 HE22 GLN A 781 -2.732 20.897 3.427 1.00 0.00 H ATOM 1989 HE21 GLN A 781 -1.423 22.126 3.278 1.00 0.00 H ATOM 1990 H GLN A 781 -3.637 19.002 -1.645 1.00 0.00 H ATOM 1991 N LYS A 782 -5.941 21.287 -2.389 1.00 28.72 N ATOM 1992 CA LYS A 782 -6.856 22.120 -3.170 1.00 29.66 C ATOM 1993 C LYS A 782 -8.197 21.393 -3.427 1.00 30.44 C ATOM 1994 O LYS A 782 -9.253 21.992 -3.261 1.00 30.54 O ATOM 1995 CB LYS A 782 -6.196 22.551 -4.493 1.00 33.23 C ATOM 1996 CG LYS A 782 -6.874 23.769 -5.113 1.00 46.52 C ATOM 1997 CD LYS A 782 -5.987 24.582 -6.030 1.00 59.62 C ATOM 1998 CE LYS A 782 -6.577 25.964 -6.196 1.00 75.55 C ATOM 1999 NZ LYS A 782 -5.633 27.040 -5.779 1.00 88.19 N ATOM 2000 HZ1 LYS A 782 -5.387 26.914 -4.776 1.00 0.00 H ATOM 2001 HZ2 LYS A 782 -4.771 26.987 -6.358 1.00 0.00 H ATOM 2002 HZ3 LYS A 782 -6.085 27.967 -5.912 1.00 0.00 H ATOM 2003 H LYS A 782 -5.033 21.014 -2.817 1.00 0.00 H ATOM 2004 N MET A 783 -8.146 20.100 -3.785 1.00 24.76 N ATOM 2005 CA MET A 783 -9.337 19.268 -4.019 1.00 23.51 C ATOM 2006 C MET A 783 -10.199 19.153 -2.746 1.00 28.19 C ATOM 2007 O MET A 783 -11.423 19.259 -2.831 1.00 28.13 O ATOM 2008 CB MET A 783 -8.945 17.874 -4.535 1.00 23.92 C ATOM 2009 CG MET A 783 -10.129 16.925 -4.663 1.00 26.55 C ATOM 2010 SD MET A 783 -9.700 15.310 -5.331 1.00 28.77 S ATOM 2011 CE MET A 783 -8.858 14.560 -3.924 1.00 24.16 C ATOM 2012 H MET A 783 -7.211 19.661 -3.904 1.00 0.00 H ATOM 2013 N ALA A 784 -9.555 18.953 -1.586 1.00 26.08 N ATOM 2014 CA ALA A 784 -10.217 18.854 -0.286 1.00 26.39 C ATOM 2015 C ALA A 784 -10.872 20.193 0.087 1.00 33.71 C ATOM 2016 O ALA A 784 -11.942 20.204 0.684 1.00 33.84 O ATOM 2017 CB ALA A 784 -9.202 18.450 0.779 1.00 26.55 C ATOM 2018 H ALA A 784 -8.519 18.863 -1.613 1.00 0.00 H ATOM 2019 N GLU A 785 -10.230 21.315 -0.293 1.00 33.65 N ATOM 2020 CA GLU A 785 -10.653 22.707 -0.035 1.00 35.67 C ATOM 2021 C GLU A 785 -11.908 23.061 -0.847 1.00 40.88 C ATOM 2022 O GLU A 785 -12.857 23.598 -0.279 1.00 42.10 O ATOM 2023 CB GLU A 785 -9.473 23.608 -0.423 1.00 37.79 C ATOM 2024 CG GLU A 785 -9.431 25.076 -0.077 1.00 52.10 C ATOM 2025 CD GLU A 785 -8.202 25.722 -0.701 1.00 78.42 C ATOM 2026 OE1 GLU A 785 -7.109 25.106 -0.664 1.00 75.77 O ATOM 2027 OE2 GLU A 785 -8.344 26.825 -1.277 1.00 76.52 O ATOM 2028 H GLU A 785 -9.344 21.188 -0.823 1.00 0.00 H ATOM 2029 N VAL A 786 -11.912 22.763 -2.167 1.00 36.59 N ATOM 2030 CA VAL A 786 -13.031 23.063 -3.066 1.00 37.21 C ATOM 2031 C VAL A 786 -14.153 22.036 -2.935 1.00 40.09 C ATOM 2032 O VAL A 786 -15.304 22.345 -3.241 1.00 40.46 O ATOM 2033 CB VAL A 786 -12.602 23.272 -4.548 1.00 41.13 C ATOM 2034 CG1 VAL A 786 -11.632 24.439 -4.685 1.00 41.89 C ATOM 2035 CG2 VAL A 786 -12.028 21.992 -5.172 1.00 39.48 C ATOM 2036 H VAL A 786 -11.074 22.295 -2.567 1.00 0.00 H ATOM 2037 N GLY A 787 -13.796 20.835 -2.496 1.00 35.43 N ATOM 2038 CA GLY A 787 -14.722 19.729 -2.340 1.00 34.37 C ATOM 2039 C GLY A 787 -14.627 18.801 -3.528 1.00 36.16 C ATOM 2040 O GLY A 787 -14.489 19.255 -4.670 1.00 36.16 O ATOM 2041 H GLY A 787 -12.798 20.678 -2.250 1.00 0.00 H ATOM 2042 N TYR A 788 -14.693 17.503 -3.262 1.00 29.49 N ATOM 2043 CA TYR A 788 -14.620 16.480 -4.292 1.00 27.52 C ATOM 2044 C TYR A 788 -15.750 16.623 -5.321 1.00 30.77 C ATOM 2045 O TYR A 788 -16.924 16.713 -4.952 1.00 30.49 O ATOM 2046 CB TYR A 788 -14.626 15.084 -3.650 1.00 27.06 C ATOM 2047 CG TYR A 788 -14.396 13.972 -4.643 1.00 24.66 C ATOM 2048 CD1 TYR A 788 -13.116 13.676 -5.104 1.00 24.96 C ATOM 2049 CD2 TYR A 788 -15.458 13.227 -5.141 1.00 24.60 C ATOM 2050 CE1 TYR A 788 -12.902 12.667 -6.039 1.00 24.38 C ATOM 2051 CE2 TYR A 788 -15.252 12.204 -6.064 1.00 24.06 C ATOM 2052 CZ TYR A 788 -13.971 11.928 -6.509 1.00 27.12 C ATOM 2053 OH TYR A 788 -13.765 10.905 -7.403 1.00 25.58 O ATOM 2054 HH TYR A 788 -14.071 10.053 -7.004 1.00 0.00 H ATOM 2055 H TYR A 788 -14.802 17.204 -2.272 1.00 0.00 H ATOM 2056 N ASP A 789 -15.376 16.682 -6.603 1.00 25.98 N ATOM 2057 CA ASP A 789 -16.308 16.783 -7.720 1.00 25.87 C ATOM 2058 C ASP A 789 -16.278 15.462 -8.494 1.00 30.15 C ATOM 2059 O ASP A 789 -15.344 15.213 -9.252 1.00 29.87 O ATOM 2060 CB ASP A 789 -15.979 17.992 -8.620 1.00 27.69 C ATOM 2061 CG ASP A 789 -16.883 18.211 -9.837 1.00 34.75 C ATOM 2062 OD1 ASP A 789 -17.860 17.435 -10.014 1.00 32.01 O ATOM 2063 OD2 ASP A 789 -16.611 19.151 -10.615 1.00 41.37 O ATOM 2064 H ASP A 789 -14.359 16.654 -6.817 1.00 0.00 H ATOM 2065 N ARG A 790 -17.304 14.619 -8.302 1.00 28.25 N ATOM 2066 CA ARG A 790 -17.456 13.318 -8.963 1.00 28.51 C ATOM 2067 C ARG A 790 -17.457 13.408 -10.500 1.00 32.31 C ATOM 2068 O ARG A 790 -17.196 12.408 -11.161 1.00 31.60 O ATOM 2069 CB ARG A 790 -18.738 12.618 -8.480 1.00 30.99 C ATOM 2070 CG ARG A 790 -18.571 11.113 -8.328 1.00 41.35 C ATOM 2071 CD ARG A 790 -19.602 10.342 -9.126 1.00 53.77 C ATOM 2072 NE ARG A 790 -19.734 8.955 -8.670 1.00 55.44 N ATOM 2073 CZ ARG A 790 -19.171 7.906 -9.262 1.00 65.85 C ATOM 2074 NH1 ARG A 790 -18.415 8.069 -10.344 1.00 43.16 N ATOM 2075 NH2 ARG A 790 -19.360 6.686 -8.779 1.00 57.59 N ATOM 2076 HE ARG A 790 -20.310 8.779 -7.822 1.00 0.00 H ATOM 2077 HH12 ARG A 790 -17.978 7.244 -10.802 1.00 0.00 H ATOM 2078 HH11 ARG A 790 -18.261 9.021 -10.732 1.00 0.00 H ATOM 2079 HH22 ARG A 790 -18.918 5.868 -9.245 1.00 0.00 H ATOM 2080 HH21 ARG A 790 -19.950 6.547 -7.934 1.00 0.00 H ATOM 2081 H ARG A 790 -18.047 14.909 -7.635 1.00 0.00 H ATOM 2082 N ASN A 791 -17.771 14.587 -11.066 1.00 29.21 N ATOM 2083 CA ASN A 791 -17.779 14.796 -12.518 1.00 29.26 C ATOM 2084 C ASN A 791 -16.433 15.331 -13.040 1.00 34.23 C ATOM 2085 O ASN A 791 -16.296 15.595 -14.239 1.00 34.57 O ATOM 2086 CB ASN A 791 -18.932 15.725 -12.913 1.00 30.73 C ATOM 2087 CG ASN A 791 -20.290 15.186 -12.531 1.00 55.13 C ATOM 2088 OD1 ASN A 791 -20.626 14.017 -12.773 1.00 46.67 O ATOM 2089 ND2 ASN A 791 -21.105 16.031 -11.929 1.00 47.96 N ATOM 2090 HD22 ASN A 791 -20.796 17.006 -11.739 1.00 0.00 H ATOM 2091 HD21 ASN A 791 -22.057 15.722 -11.645 1.00 0.00 H ATOM 2092 H ASN A 791 -18.019 15.385 -10.447 1.00 0.00 H ATOM 2093 N ASN A 792 -15.449 15.495 -12.137 1.00 29.16 N ATOM 2094 CA ASN A 792 -14.121 15.983 -12.482 1.00 27.77 C ATOM 2095 C ASN A 792 -13.163 14.783 -12.540 1.00 27.92 C ATOM 2096 O ASN A 792 -12.894 14.149 -11.515 1.00 25.24 O ATOM 2097 CB ASN A 792 -13.662 17.054 -11.469 1.00 28.29 C ATOM 2098 CG ASN A 792 -12.343 17.719 -11.768 1.00 40.06 C ATOM 2099 OD1 ASN A 792 -11.404 17.120 -12.289 1.00 33.13 O ATOM 2100 ND2 ASN A 792 -12.233 18.977 -11.414 1.00 33.67 N ATOM 2101 HD22 ASN A 792 -13.039 19.466 -10.975 1.00 0.00 H ATOM 2102 HD21 ASN A 792 -11.340 19.486 -11.573 1.00 0.00 H ATOM 2103 H ASN A 792 -15.647 15.262 -11.143 1.00 0.00 H ATOM 2104 N LYS A 793 -12.665 14.472 -13.751 1.00 24.37 N ATOM 2105 CA LYS A 793 -11.762 13.336 -13.989 1.00 22.90 C ATOM 2106 C LYS A 793 -10.427 13.495 -13.263 1.00 22.82 C ATOM 2107 O LYS A 793 -9.843 12.498 -12.829 1.00 21.26 O ATOM 2108 CB LYS A 793 -11.537 13.103 -15.495 1.00 25.84 C ATOM 2109 CG LYS A 793 -12.789 12.651 -16.251 1.00 43.73 C ATOM 2110 CD LYS A 793 -12.443 11.958 -17.564 1.00 60.05 C ATOM 2111 CE LYS A 793 -13.470 12.188 -18.655 1.00 79.75 C ATOM 2112 NZ LYS A 793 -13.219 13.451 -19.407 1.00 92.97 N ATOM 2113 HZ1 LYS A 793 -13.257 14.257 -18.751 1.00 0.00 H ATOM 2114 HZ2 LYS A 793 -12.279 13.408 -19.851 1.00 0.00 H ATOM 2115 HZ3 LYS A 793 -13.946 13.566 -20.142 1.00 0.00 H ATOM 2116 H LYS A 793 -12.933 15.066 -14.561 1.00 0.00 H ATOM 2117 N GLN A 794 -9.956 14.747 -13.096 1.00 18.87 N ATOM 2118 CA GLN A 794 -8.711 14.993 -12.367 1.00 17.79 C ATOM 2119 C GLN A 794 -8.913 14.699 -10.871 1.00 22.52 C ATOM 2120 O GLN A 794 -7.997 14.182 -10.226 1.00 20.35 O ATOM 2121 CB GLN A 794 -8.176 16.423 -12.644 1.00 19.51 C ATOM 2122 CG GLN A 794 -6.912 16.828 -11.881 1.00 30.11 C ATOM 2123 CD GLN A 794 -5.659 16.013 -12.124 1.00 44.91 C ATOM 2124 OE1 GLN A 794 -5.583 15.119 -12.976 1.00 36.35 O ATOM 2125 NE2 GLN A 794 -4.629 16.329 -11.368 1.00 41.97 N ATOM 2126 HE22 GLN A 794 -4.717 17.084 -10.658 1.00 0.00 H ATOM 2127 HE21 GLN A 794 -3.727 15.823 -11.480 1.00 0.00 H ATOM 2128 H GLN A 794 -10.485 15.550 -13.491 1.00 0.00 H ATOM 2129 N HIS A 795 -10.135 14.961 -10.336 1.00 20.01 N ATOM 2130 CA HIS A 795 -10.444 14.633 -8.937 1.00 19.70 C ATOM 2131 C HIS A 795 -10.428 13.106 -8.701 1.00 20.91 C ATOM 2132 O HIS A 795 -9.963 12.650 -7.653 1.00 21.28 O ATOM 2133 CB HIS A 795 -11.777 15.257 -8.514 1.00 21.43 C ATOM 2134 CG HIS A 795 -11.684 16.711 -8.116 1.00 25.76 C ATOM 2135 ND1 HIS A 795 -12.702 17.327 -7.411 1.00 28.60 N ATOM 2136 CD2 HIS A 795 -10.692 17.612 -8.318 1.00 27.68 C ATOM 2137 CE1 HIS A 795 -12.312 18.580 -7.224 1.00 29.27 C ATOM 2138 NE2 HIS A 795 -11.114 18.800 -7.757 1.00 29.31 N ATOM 2139 H HIS A 795 -10.866 15.403 -10.929 1.00 0.00 H ATOM 2140 N HIS A 796 -10.899 12.324 -9.690 1.00 18.13 N ATOM 2141 CA HIS A 796 -10.876 10.856 -9.639 1.00 16.47 C ATOM 2142 C HIS A 796 -9.440 10.369 -9.548 1.00 20.08 C ATOM 2143 O HIS A 796 -9.151 9.514 -8.695 1.00 18.51 O ATOM 2144 CB HIS A 796 -11.566 10.243 -10.870 1.00 17.18 C ATOM 2145 CG HIS A 796 -13.052 10.188 -10.751 1.00 21.87 C ATOM 2146 ND1 HIS A 796 -13.719 8.980 -10.627 1.00 23.81 N ATOM 2147 CD2 HIS A 796 -13.960 11.191 -10.759 1.00 25.54 C ATOM 2148 CE1 HIS A 796 -15.005 9.287 -10.565 1.00 24.22 C ATOM 2149 NE2 HIS A 796 -15.198 10.604 -10.634 1.00 25.42 N ATOM 2150 H HIS A 796 -11.300 12.782 -10.533 1.00 0.00 H ATOM 2151 N ARG A 797 -8.545 10.906 -10.413 1.00 16.38 N ATOM 2152 CA ARG A 797 -7.123 10.552 -10.458 1.00 15.89 C ATOM 2153 C ARG A 797 -6.446 10.877 -9.126 1.00 18.37 C ATOM 2154 O ARG A 797 -5.712 10.043 -8.592 1.00 16.79 O ATOM 2155 CB ARG A 797 -6.408 11.288 -11.609 1.00 17.35 C ATOM 2156 CG ARG A 797 -6.873 10.869 -13.010 1.00 30.69 C ATOM 2157 CD ARG A 797 -5.922 11.323 -14.108 1.00 42.15 C ATOM 2158 NE ARG A 797 -6.037 12.753 -14.404 1.00 49.64 N ATOM 2159 CZ ARG A 797 -6.785 13.266 -15.377 1.00 60.06 C ATOM 2160 NH1 ARG A 797 -7.501 12.470 -16.164 1.00 47.31 N ATOM 2161 NH2 ARG A 797 -6.829 14.577 -15.568 1.00 45.86 N ATOM 2162 HE ARG A 797 -5.495 13.414 -13.811 1.00 0.00 H ATOM 2163 HH12 ARG A 797 -8.084 12.877 -16.923 1.00 0.00 H ATOM 2164 HH11 ARG A 797 -7.478 11.440 -16.021 1.00 0.00 H ATOM 2165 HH22 ARG A 797 -7.416 14.972 -16.330 1.00 0.00 H ATOM 2166 HH21 ARG A 797 -6.277 15.211 -14.955 1.00 0.00 H ATOM 2167 H ARG A 797 -8.890 11.616 -11.090 1.00 0.00 H ATOM 2168 N LEU A 798 -6.726 12.075 -8.576 1.00 15.30 N ATOM 2169 CA LEU A 798 -6.158 12.527 -7.298 1.00 15.77 C ATOM 2170 C LEU A 798 -6.621 11.676 -6.134 1.00 18.00 C ATOM 2171 O LEU A 798 -5.785 11.296 -5.307 1.00 15.26 O ATOM 2172 CB LEU A 798 -6.439 14.016 -7.038 1.00 17.56 C ATOM 2173 CG LEU A 798 -5.707 15.041 -7.917 1.00 23.84 C ATOM 2174 CD1 LEU A 798 -6.263 16.439 -7.694 1.00 25.91 C ATOM 2175 CD2 LEU A 798 -4.199 15.049 -7.638 1.00 25.17 C ATOM 2176 H LEU A 798 -7.376 12.711 -9.081 1.00 0.00 H ATOM 2177 N LEU A 799 -7.932 11.351 -6.071 1.00 14.95 N ATOM 2178 CA LEU A 799 -8.487 10.525 -4.993 1.00 13.76 C ATOM 2179 C LEU A 799 -7.875 9.122 -5.015 1.00 16.68 C ATOM 2180 O LEU A 799 -7.498 8.600 -3.962 1.00 13.07 O ATOM 2181 CB LEU A 799 -10.030 10.470 -5.058 1.00 14.01 C ATOM 2182 CG LEU A 799 -10.712 9.641 -3.942 1.00 19.65 C ATOM 2183 CD1 LEU A 799 -10.357 10.131 -2.554 1.00 20.90 C ATOM 2184 CD2 LEU A 799 -12.215 9.572 -4.132 1.00 17.58 C ATOM 2185 H LEU A 799 -8.571 11.699 -6.814 1.00 0.00 H ATOM 2186 N LEU A 800 -7.703 8.544 -6.218 1.00 14.58 N ATOM 2187 CA LEU A 800 -7.059 7.229 -6.357 1.00 14.26 C ATOM 2188 C LEU A 800 -5.647 7.233 -5.785 1.00 18.70 C ATOM 2189 O LEU A 800 -5.278 6.296 -5.060 1.00 16.84 O ATOM 2190 CB LEU A 800 -7.078 6.738 -7.810 1.00 14.24 C ATOM 2191 CG LEU A 800 -8.449 6.200 -8.272 1.00 17.96 C ATOM 2192 CD1 LEU A 800 -8.487 6.065 -9.777 1.00 18.56 C ATOM 2193 CD2 LEU A 800 -8.772 4.846 -7.635 1.00 18.40 C ATOM 2194 H LEU A 800 -8.034 9.039 -7.071 1.00 0.00 H ATOM 2195 N CYS A 801 -4.894 8.319 -6.043 1.00 15.96 N ATOM 2196 CA CYS A 801 -3.540 8.519 -5.516 1.00 15.26 C ATOM 2197 C CYS A 801 -3.562 8.563 -3.995 1.00 18.12 C ATOM 2198 O CYS A 801 -2.812 7.819 -3.364 1.00 15.80 O ATOM 2199 CB CYS A 801 -2.908 9.778 -6.101 1.00 16.31 C ATOM 2200 SG CYS A 801 -2.471 9.641 -7.852 1.00 20.56 S ATOM 2201 H CYS A 801 -5.296 9.060 -6.652 1.00 0.00 H ATOM 2202 N LEU A 802 -4.432 9.416 -3.408 1.00 15.03 N ATOM 2203 CA LEU A 802 -4.567 9.547 -1.951 1.00 15.26 C ATOM 2204 C LEU A 802 -4.971 8.228 -1.271 1.00 16.89 C ATOM 2205 O LEU A 802 -4.406 7.874 -0.227 1.00 14.82 O ATOM 2206 CB LEU A 802 -5.582 10.652 -1.588 1.00 16.88 C ATOM 2207 CG LEU A 802 -5.835 10.885 -0.090 1.00 22.93 C ATOM 2208 CD1 LEU A 802 -4.585 11.403 0.634 1.00 23.82 C ATOM 2209 CD2 LEU A 802 -6.963 11.852 0.107 1.00 25.59 C ATOM 2210 H LEU A 802 -5.034 10.007 -4.017 1.00 0.00 H ATOM 2211 N LEU A 803 -5.936 7.498 -1.862 1.00 15.38 N ATOM 2212 CA LEU A 803 -6.396 6.224 -1.297 1.00 14.36 C ATOM 2213 C LEU A 803 -5.286 5.186 -1.333 1.00 18.69 C ATOM 2214 O LEU A 803 -5.114 4.470 -0.346 1.00 19.63 O ATOM 2215 CB LEU A 803 -7.655 5.706 -2.000 1.00 14.16 C ATOM 2216 CG LEU A 803 -8.912 6.573 -1.882 1.00 19.37 C ATOM 2217 CD1 LEU A 803 -9.978 6.086 -2.833 1.00 18.52 C ATOM 2218 CD2 LEU A 803 -9.446 6.599 -0.450 1.00 21.73 C ATOM 2219 H LEU A 803 -6.367 7.846 -2.742 1.00 0.00 H ATOM 2220 N MET A 804 -4.504 5.132 -2.439 1.00 14.21 N ATOM 2221 CA MET A 804 -3.390 4.195 -2.558 1.00 13.44 C ATOM 2222 C MET A 804 -2.339 4.501 -1.474 1.00 15.76 C ATOM 2223 O MET A 804 -1.881 3.589 -0.787 1.00 12.86 O ATOM 2224 CB MET A 804 -2.771 4.234 -3.963 1.00 15.45 C ATOM 2225 CG MET A 804 -1.630 3.249 -4.136 1.00 18.03 C ATOM 2226 SD MET A 804 -2.103 1.486 -4.109 1.00 20.05 S ATOM 2227 CE MET A 804 -1.195 0.903 -2.677 1.00 18.24 C ATOM 2228 H MET A 804 -4.704 5.779 -3.228 1.00 0.00 H ATOM 2229 N THR A 805 -1.997 5.787 -1.290 1.00 13.75 N ATOM 2230 CA THR A 805 -1.030 6.187 -0.236 1.00 13.57 C ATOM 2231 C THR A 805 -1.558 5.802 1.142 1.00 17.99 C ATOM 2232 O THR A 805 -0.798 5.264 1.954 1.00 16.69 O ATOM 2233 CB THR A 805 -0.661 7.660 -0.345 1.00 17.31 C ATOM 2234 OG1 THR A 805 -0.211 7.896 -1.671 1.00 18.56 O ATOM 2235 CG2 THR A 805 0.447 8.048 0.614 1.00 18.51 C ATOM 2236 HG1 THR A 805 0.579 7.328 -1.856 1.00 0.00 H ATOM 2237 H THR A 805 -2.418 6.518 -1.898 1.00 0.00 H ATOM 2238 N SER A 806 -2.874 6.032 1.382 1.00 14.85 N ATOM 2239 CA SER A 806 -3.556 5.685 2.635 1.00 14.95 C ATOM 2240 C SER A 806 -3.472 4.168 2.897 1.00 18.99 C ATOM 2241 O SER A 806 -3.315 3.764 4.041 1.00 19.49 O ATOM 2242 CB SER A 806 -5.021 6.119 2.582 1.00 18.74 C ATOM 2243 OG SER A 806 -5.071 7.538 2.560 1.00 23.83 O ATOM 2244 HG SER A 806 -4.590 7.872 1.761 1.00 0.00 H ATOM 2245 H SER A 806 -3.435 6.483 0.631 1.00 0.00 H ATOM 2246 N CYS A 807 -3.592 3.338 1.852 1.00 16.10 N ATOM 2247 CA CYS A 807 -3.469 1.879 2.005 1.00 15.23 C ATOM 2248 C CYS A 807 -2.032 1.491 2.324 1.00 17.87 C ATOM 2249 O CYS A 807 -1.804 0.661 3.201 1.00 15.98 O ATOM 2250 CB CYS A 807 -3.968 1.153 0.768 1.00 15.23 C ATOM 2251 SG CYS A 807 -5.723 1.375 0.455 1.00 18.96 S ATOM 2252 H CYS A 807 -3.777 3.735 0.909 1.00 0.00 H ATOM 2253 N ASP A 808 -1.068 2.071 1.581 1.00 13.86 N ATOM 2254 CA ASP A 808 0.357 1.770 1.747 1.00 13.28 C ATOM 2255 C ASP A 808 0.871 2.092 3.145 1.00 14.44 C ATOM 2256 O ASP A 808 1.717 1.362 3.644 1.00 15.06 O ATOM 2257 CB ASP A 808 1.175 2.526 0.706 1.00 14.34 C ATOM 2258 CG ASP A 808 2.434 1.840 0.201 1.00 20.71 C ATOM 2259 OD1 ASP A 808 2.729 0.708 0.657 1.00 17.74 O ATOM 2260 OD2 ASP A 808 3.089 2.402 -0.696 1.00 25.17 O ATOM 2261 H ASP A 808 -1.348 2.763 0.857 1.00 0.00 H ATOM 2262 N LEU A 809 0.353 3.161 3.787 1.00 12.07 N ATOM 2263 CA LEU A 809 0.809 3.541 5.140 1.00 13.67 C ATOM 2264 C LEU A 809 -0.140 3.088 6.264 1.00 19.07 C ATOM 2265 O LEU A 809 0.028 3.500 7.415 1.00 17.83 O ATOM 2266 CB LEU A 809 0.990 5.078 5.221 1.00 15.47 C ATOM 2267 CG LEU A 809 1.902 5.765 4.207 1.00 20.47 C ATOM 2268 CD1 LEU A 809 2.127 7.205 4.590 1.00 21.12 C ATOM 2269 CD2 LEU A 809 3.241 5.068 4.083 1.00 23.16 C ATOM 2270 H LEU A 809 -0.382 3.729 3.319 1.00 0.00 H ATOM 2271 N SER A 810 -1.138 2.260 5.936 1.00 16.27 N ATOM 2272 CA SER A 810 -2.192 1.844 6.863 1.00 15.89 C ATOM 2273 C SER A 810 -1.725 1.124 8.139 1.00 20.53 C ATOM 2274 O SER A 810 -2.484 1.105 9.100 1.00 21.89 O ATOM 2275 CB SER A 810 -3.248 1.021 6.142 1.00 15.10 C ATOM 2276 OG SER A 810 -2.738 -0.207 5.661 1.00 14.74 O ATOM 2277 HG SER A 810 -2.000 -0.030 5.025 1.00 0.00 H ATOM 2278 H SER A 810 -1.167 1.890 4.965 1.00 0.00 H ATOM 2279 N ASP A 811 -0.495 0.578 8.185 1.00 19.57 N ATOM 2280 CA ASP A 811 0.027 -0.032 9.419 1.00 20.33 C ATOM 2281 C ASP A 811 0.103 0.991 10.540 1.00 25.51 C ATOM 2282 O ASP A 811 0.150 0.600 11.698 1.00 27.92 O ATOM 2283 CB ASP A 811 1.425 -0.623 9.219 1.00 22.27 C ATOM 2284 CG ASP A 811 1.515 -1.857 8.349 1.00 30.50 C ATOM 2285 OD1 ASP A 811 0.684 -2.772 8.526 1.00 30.79 O ATOM 2286 OD2 ASP A 811 2.479 -1.953 7.561 1.00 32.25 O ATOM 2287 H ASP A 811 0.099 0.587 7.331 1.00 0.00 H ATOM 2288 N GLN A 812 0.112 2.293 10.201 1.00 22.06 N ATOM 2289 CA GLN A 812 0.182 3.399 11.163 1.00 20.92 C ATOM 2290 C GLN A 812 -1.171 3.751 11.776 1.00 23.85 C ATOM 2291 O GLN A 812 -1.221 4.532 12.731 1.00 23.26 O ATOM 2292 CB GLN A 812 0.827 4.643 10.501 1.00 21.53 C ATOM 2293 CG GLN A 812 2.200 4.362 9.850 1.00 22.96 C ATOM 2294 CD GLN A 812 3.188 3.765 10.839 1.00 28.34 C ATOM 2295 OE1 GLN A 812 3.360 4.251 11.951 1.00 25.25 O ATOM 2296 NE2 GLN A 812 3.826 2.676 10.479 1.00 25.36 N ATOM 2297 HE22 GLN A 812 3.673 2.272 9.533 1.00 0.00 H ATOM 2298 HE21 GLN A 812 4.485 2.217 11.140 1.00 0.00 H ATOM 2299 H GLN A 812 0.066 2.532 9.190 1.00 0.00 H ATOM 2300 N THR A 813 -2.270 3.186 11.228 1.00 21.74 N ATOM 2301 CA THR A 813 -3.640 3.437 11.699 1.00 21.99 C ATOM 2302 C THR A 813 -4.135 2.401 12.725 1.00 27.10 C ATOM 2303 O THR A 813 -5.281 2.478 13.170 1.00 27.09 O ATOM 2304 CB THR A 813 -4.614 3.522 10.519 1.00 23.56 C ATOM 2305 OG1 THR A 813 -4.722 2.247 9.898 1.00 19.52 O ATOM 2306 CG2 THR A 813 -4.214 4.568 9.503 1.00 20.89 C ATOM 2307 HG1 THR A 813 -3.831 1.964 9.571 1.00 0.00 H ATOM 2308 H THR A 813 -2.139 2.536 10.427 1.00 0.00 H ATOM 2309 N LYS A 814 -3.301 1.412 13.056 1.00 23.09 N ATOM 2310 CA LYS A 814 -3.668 0.377 14.018 1.00 23.62 C ATOM 2311 C LYS A 814 -3.150 0.802 15.396 1.00 30.71 C ATOM 2312 O LYS A 814 -2.892 1.993 15.613 1.00 33.51 O ATOM 2313 CB LYS A 814 -3.129 -1.013 13.582 1.00 24.64 C ATOM 2314 CG LYS A 814 -3.315 -1.364 12.089 1.00 20.25 C ATOM 2315 CD LYS A 814 -4.780 -1.534 11.687 1.00 20.87 C ATOM 2316 CE LYS A 814 -4.945 -1.808 10.214 1.00 24.24 C ATOM 2317 NZ LYS A 814 -6.384 -1.930 9.837 1.00 18.16 N ATOM 2318 HZ1 LYS A 814 -6.815 -2.713 10.368 1.00 0.00 H ATOM 2319 HZ2 LYS A 814 -6.877 -1.043 10.064 1.00 0.00 H ATOM 2320 HZ3 LYS A 814 -6.459 -2.118 8.817 1.00 0.00 H ATOM 2321 H LYS A 814 -2.360 1.378 12.614 1.00 0.00 H ATOM 2322 N GLY A 815 -2.992 -0.140 16.308 1.00 26.53 N ATOM 2323 CA GLY A 815 -2.513 0.192 17.653 1.00 26.43 C ATOM 2324 C GLY A 815 -1.015 0.405 17.738 1.00 28.70 C ATOM 2325 O GLY A 815 -0.289 0.246 16.752 1.00 25.38 O ATOM 2326 H GLY A 815 -3.210 -1.128 16.069 1.00 0.00 H ATOM 2327 N TRP A 816 -0.536 0.741 18.947 1.00 26.70 N ATOM 2328 CA TRP A 816 0.883 0.943 19.216 1.00 27.54 C ATOM 2329 C TRP A 816 1.695 -0.298 18.862 1.00 28.98 C ATOM 2330 O TRP A 816 2.754 -0.164 18.273 1.00 27.96 O ATOM 2331 CB TRP A 816 1.109 1.329 20.693 1.00 28.15 C ATOM 2332 CG TRP A 816 2.532 1.162 21.143 1.00 30.35 C ATOM 2333 CD1 TRP A 816 3.018 0.210 21.990 1.00 34.10 C ATOM 2334 CD2 TRP A 816 3.661 1.919 20.698 1.00 30.24 C ATOM 2335 NE1 TRP A 816 4.381 0.341 22.118 1.00 33.81 N ATOM 2336 CE2 TRP A 816 4.801 1.395 21.350 1.00 34.91 C ATOM 2337 CE3 TRP A 816 3.819 3.007 19.821 1.00 31.21 C ATOM 2338 CZ2 TRP A 816 6.082 1.924 21.159 1.00 34.54 C ATOM 2339 CZ3 TRP A 816 5.081 3.534 19.635 1.00 32.96 C ATOM 2340 CH2 TRP A 816 6.199 2.995 20.296 1.00 34.32 C ATOM 2341 HE1 TRP A 816 4.994 -0.262 22.703 1.00 0.00 H ATOM 2342 H TRP A 816 -1.210 0.863 19.730 1.00 0.00 H ATOM 2343 N LYS A 817 1.192 -1.495 19.214 1.00 26.16 N ATOM 2344 CA LYS A 817 1.845 -2.781 18.978 1.00 25.41 C ATOM 2345 C LYS A 817 2.223 -2.973 17.510 1.00 24.99 C ATOM 2346 O LYS A 817 3.326 -3.448 17.228 1.00 21.07 O ATOM 2347 CB LYS A 817 0.966 -3.926 19.479 1.00 29.53 C ATOM 2348 CG LYS A 817 1.666 -4.844 20.463 1.00 53.95 C ATOM 2349 CD LYS A 817 0.700 -5.848 21.074 1.00 68.39 C ATOM 2350 CE LYS A 817 1.314 -7.220 21.097 1.00 79.30 C ATOM 2351 NZ LYS A 817 1.227 -7.908 19.780 1.00 83.57 N ATOM 2352 HZ1 LYS A 817 0.228 -8.009 19.508 1.00 0.00 H ATOM 2353 HZ2 LYS A 817 1.728 -7.345 19.063 1.00 0.00 H ATOM 2354 HZ3 LYS A 817 1.665 -8.849 19.852 1.00 0.00 H ATOM 2355 H LYS A 817 0.268 -1.506 19.691 1.00 0.00 H ATOM 2356 N THR A 818 1.320 -2.565 16.573 1.00 21.81 N ATOM 2357 CA THR A 818 1.578 -2.636 15.140 1.00 21.66 C ATOM 2358 C THR A 818 2.656 -1.635 14.722 1.00 25.70 C ATOM 2359 O THR A 818 3.577 -2.026 14.021 1.00 26.01 O ATOM 2360 CB THR A 818 0.273 -2.507 14.331 1.00 26.53 C ATOM 2361 OG1 THR A 818 -0.587 -3.588 14.695 1.00 26.27 O ATOM 2362 CG2 THR A 818 0.502 -2.519 12.812 1.00 24.29 C ATOM 2363 HG1 THR A 818 -0.781 -3.541 15.665 1.00 0.00 H ATOM 2364 H THR A 818 0.407 -2.186 16.895 1.00 0.00 H ATOM 2365 N THR A 819 2.527 -0.366 15.133 1.00 24.20 N ATOM 2366 CA THR A 819 3.487 0.705 14.839 1.00 24.57 C ATOM 2367 C THR A 819 4.905 0.273 15.220 1.00 26.46 C ATOM 2368 O THR A 819 5.815 0.382 14.399 1.00 24.61 O ATOM 2369 CB THR A 819 3.090 1.979 15.604 1.00 34.70 C ATOM 2370 OG1 THR A 819 1.725 2.235 15.343 1.00 42.46 O ATOM 2371 CG2 THR A 819 3.874 3.186 15.178 1.00 30.50 C ATOM 2372 HG1 THR A 819 1.182 1.467 15.651 1.00 0.00 H ATOM 2373 H THR A 819 1.689 -0.123 15.699 1.00 0.00 H ATOM 2374 N ARG A 820 5.076 -0.215 16.467 1.00 22.67 N ATOM 2375 CA ARG A 820 6.355 -0.663 17.026 1.00 22.42 C ATOM 2376 C ARG A 820 6.954 -1.799 16.194 1.00 25.01 C ATOM 2377 O ARG A 820 8.125 -1.727 15.831 1.00 23.93 O ATOM 2378 CB ARG A 820 6.159 -1.104 18.474 1.00 22.41 C ATOM 2379 CG ARG A 820 7.427 -1.206 19.285 1.00 35.13 C ATOM 2380 CD ARG A 820 7.032 -1.696 20.655 1.00 54.14 C ATOM 2381 NE ARG A 820 7.433 -3.077 20.875 1.00 71.21 N ATOM 2382 CZ ARG A 820 6.719 -4.160 20.565 1.00 94.58 C ATOM 2383 NH1 ARG A 820 5.531 -4.041 19.980 1.00 85.84 N ATOM 2384 NH2 ARG A 820 7.204 -5.369 20.804 1.00 84.22 N ATOM 2385 HE ARG A 820 8.362 -3.234 21.315 1.00 0.00 H ATOM 2386 HH12 ARG A 820 4.981 -4.891 19.742 1.00 0.00 H ATOM 2387 HH11 ARG A 820 5.152 -3.098 19.761 1.00 0.00 H ATOM 2388 HH22 ARG A 820 6.644 -6.211 20.561 1.00 0.00 H ATOM 2389 HH21 ARG A 820 8.145 -5.476 21.235 1.00 0.00 H ATOM 2390 H ARG A 820 4.236 -0.278 17.078 1.00 0.00 H ATOM 2391 N LYS A 821 6.147 -2.831 15.883 1.00 23.63 N ATOM 2392 CA LYS A 821 6.579 -3.982 15.081 1.00 23.07 C ATOM 2393 C LYS A 821 6.978 -3.561 13.664 1.00 22.66 C ATOM 2394 O LYS A 821 7.994 -4.032 13.152 1.00 21.20 O ATOM 2395 CB LYS A 821 5.499 -5.079 15.056 1.00 25.47 C ATOM 2396 CG LYS A 821 5.852 -6.328 14.237 1.00 36.49 C ATOM 2397 CD LYS A 821 7.133 -7.043 14.710 1.00 43.71 C ATOM 2398 CE LYS A 821 7.458 -8.225 13.835 1.00 57.02 C ATOM 2399 NZ LYS A 821 8.702 -8.907 14.278 1.00 70.47 N ATOM 2400 HZ1 LYS A 821 9.497 -8.238 14.236 1.00 0.00 H ATOM 2401 HZ2 LYS A 821 8.582 -9.244 15.255 1.00 0.00 H ATOM 2402 HZ3 LYS A 821 8.894 -9.715 13.653 1.00 0.00 H ATOM 2403 H LYS A 821 5.166 -2.812 16.229 1.00 0.00 H ATOM 2404 N ILE A 822 6.191 -2.665 13.052 1.00 17.78 N ATOM 2405 CA ILE A 822 6.449 -2.148 11.710 1.00 17.83 C ATOM 2406 C ILE A 822 7.727 -1.313 11.690 1.00 21.05 C ATOM 2407 O ILE A 822 8.504 -1.451 10.747 1.00 21.26 O ATOM 2408 CB ILE A 822 5.212 -1.434 11.115 1.00 21.24 C ATOM 2409 CG1 ILE A 822 4.043 -2.437 10.881 1.00 21.18 C ATOM 2410 CG2 ILE A 822 5.514 -0.634 9.839 1.00 18.88 C ATOM 2411 CD1 ILE A 822 4.366 -3.855 10.437 1.00 27.35 C ATOM 2412 H ILE A 822 5.352 -2.319 13.560 1.00 0.00 H ATOM 2413 N ALA A 823 7.991 -0.522 12.758 1.00 17.48 N ATOM 2414 CA ALA A 823 9.236 0.253 12.859 1.00 16.34 C ATOM 2415 C ALA A 823 10.431 -0.707 12.869 1.00 21.18 C ATOM 2416 O ALA A 823 11.410 -0.449 12.182 1.00 19.57 O ATOM 2417 CB ALA A 823 9.233 1.105 14.124 1.00 16.76 C ATOM 2418 H ALA A 823 7.294 -0.462 13.527 1.00 0.00 H ATOM 2419 N GLU A 824 10.334 -1.831 13.605 1.00 20.10 N ATOM 2420 CA GLU A 824 11.415 -2.834 13.668 1.00 20.61 C ATOM 2421 C GLU A 824 11.712 -3.389 12.272 1.00 21.87 C ATOM 2422 O GLU A 824 12.876 -3.476 11.886 1.00 22.92 O ATOM 2423 CB GLU A 824 11.018 -4.010 14.562 1.00 23.11 C ATOM 2424 CG GLU A 824 11.049 -3.785 16.057 1.00 37.34 C ATOM 2425 CD GLU A 824 10.551 -4.977 16.856 1.00 56.18 C ATOM 2426 OE1 GLU A 824 10.842 -6.130 16.461 1.00 47.45 O ATOM 2427 OE2 GLU A 824 9.868 -4.756 17.881 1.00 47.15 O ATOM 2428 H GLU A 824 9.464 -1.999 14.150 1.00 0.00 H ATOM 2429 N LEU A 825 10.657 -3.774 11.525 1.00 16.59 N ATOM 2430 CA LEU A 825 10.755 -4.317 10.172 1.00 14.92 C ATOM 2431 C LEU A 825 11.359 -3.306 9.184 1.00 18.70 C ATOM 2432 O LEU A 825 12.264 -3.660 8.439 1.00 17.20 O ATOM 2433 CB LEU A 825 9.393 -4.840 9.659 1.00 14.50 C ATOM 2434 CG LEU A 825 8.724 -5.961 10.466 1.00 20.38 C ATOM 2435 CD1 LEU A 825 7.377 -6.363 9.839 1.00 19.25 C ATOM 2436 CD2 LEU A 825 9.668 -7.176 10.653 1.00 21.06 C ATOM 2437 H LEU A 825 9.709 -3.678 11.941 1.00 0.00 H ATOM 2438 N ILE A 826 10.841 -2.072 9.169 1.00 15.71 N ATOM 2439 CA ILE A 826 11.300 -0.991 8.285 1.00 15.84 C ATOM 2440 C ILE A 826 12.769 -0.657 8.535 1.00 17.77 C ATOM 2441 O ILE A 826 13.549 -0.619 7.575 1.00 17.53 O ATOM 2442 CB ILE A 826 10.356 0.244 8.362 1.00 19.52 C ATOM 2443 CG1 ILE A 826 9.087 -0.041 7.537 1.00 19.76 C ATOM 2444 CG2 ILE A 826 11.053 1.551 7.902 1.00 19.75 C ATOM 2445 CD1 ILE A 826 8.007 0.858 7.709 1.00 32.05 C ATOM 2446 H ILE A 826 10.062 -1.864 9.826 1.00 0.00 H ATOM 2447 N TYR A 827 13.152 -0.460 9.800 1.00 16.24 N ATOM 2448 CA TYR A 827 14.541 -0.118 10.113 1.00 16.29 C ATOM 2449 C TYR A 827 15.478 -1.306 9.885 1.00 19.81 C ATOM 2450 O TYR A 827 16.592 -1.067 9.448 1.00 19.30 O ATOM 2451 CB TYR A 827 14.693 0.543 11.494 1.00 18.87 C ATOM 2452 CG TYR A 827 14.055 1.910 11.471 1.00 21.85 C ATOM 2453 CD1 TYR A 827 14.567 2.926 10.664 1.00 23.98 C ATOM 2454 CD2 TYR A 827 12.855 2.149 12.132 1.00 23.49 C ATOM 2455 CE1 TYR A 827 13.907 4.143 10.529 1.00 26.63 C ATOM 2456 CE2 TYR A 827 12.202 3.373 12.026 1.00 24.59 C ATOM 2457 CZ TYR A 827 12.734 4.368 11.226 1.00 31.59 C ATOM 2458 OH TYR A 827 12.091 5.571 11.106 1.00 34.92 O ATOM 2459 HH TYR A 827 12.606 6.160 10.500 1.00 0.00 H ATOM 2460 H TYR A 827 12.458 -0.550 10.569 1.00 0.00 H ATOM 2461 N LYS A 828 15.013 -2.572 10.044 1.00 16.92 N ATOM 2462 CA LYS A 828 15.867 -3.729 9.723 1.00 16.72 C ATOM 2463 C LYS A 828 16.201 -3.655 8.226 1.00 20.69 C ATOM 2464 O LYS A 828 17.363 -3.785 7.846 1.00 21.90 O ATOM 2465 CB LYS A 828 15.176 -5.066 10.051 1.00 19.14 C ATOM 2466 CG LYS A 828 16.117 -6.252 9.874 1.00 27.70 C ATOM 2467 CD LYS A 828 15.501 -7.592 10.248 1.00 34.65 C ATOM 2468 CE LYS A 828 16.283 -8.712 9.602 1.00 42.91 C ATOM 2469 NZ LYS A 828 15.809 -10.050 10.048 1.00 54.62 N ATOM 2470 HZ1 LYS A 828 15.918 -10.129 11.079 1.00 0.00 H ATOM 2471 HZ2 LYS A 828 14.807 -10.164 9.794 1.00 0.00 H ATOM 2472 HZ3 LYS A 828 16.372 -10.789 9.581 1.00 0.00 H ATOM 2473 H LYS A 828 14.046 -2.726 10.395 1.00 0.00 H ATOM 2474 N GLU A 829 15.183 -3.400 7.390 1.00 15.89 N ATOM 2475 CA GLU A 829 15.344 -3.274 5.954 1.00 14.95 C ATOM 2476 C GLU A 829 16.245 -2.083 5.587 1.00 19.05 C ATOM 2477 O GLU A 829 17.173 -2.252 4.794 1.00 18.23 O ATOM 2478 CB GLU A 829 13.973 -3.153 5.278 1.00 15.82 C ATOM 2479 CG GLU A 829 13.996 -3.754 3.897 1.00 21.29 C ATOM 2480 CD GLU A 829 12.636 -3.740 3.240 1.00 27.43 C ATOM 2481 OE1 GLU A 829 12.390 -2.800 2.463 1.00 22.91 O ATOM 2482 OE2 GLU A 829 11.831 -4.670 3.466 1.00 22.00 O ATOM 2483 H GLU A 829 14.230 -3.287 7.792 1.00 0.00 H ATOM 2484 N PHE A 830 15.988 -0.889 6.164 1.00 16.38 N ATOM 2485 CA PHE A 830 16.784 0.316 5.902 1.00 16.96 C ATOM 2486 C PHE A 830 18.247 0.149 6.313 1.00 21.01 C ATOM 2487 O PHE A 830 19.122 0.583 5.573 1.00 20.79 O ATOM 2488 CB PHE A 830 16.210 1.532 6.649 1.00 19.85 C ATOM 2489 CG PHE A 830 14.950 2.174 6.090 1.00 21.76 C ATOM 2490 CD1 PHE A 830 14.298 1.635 4.981 1.00 25.19 C ATOM 2491 CD2 PHE A 830 14.419 3.319 6.673 1.00 24.70 C ATOM 2492 CE1 PHE A 830 13.139 2.236 4.466 1.00 25.35 C ATOM 2493 CE2 PHE A 830 13.271 3.923 6.153 1.00 27.16 C ATOM 2494 CZ PHE A 830 12.634 3.375 5.057 1.00 24.03 C ATOM 2495 H PHE A 830 15.188 -0.820 6.825 1.00 0.00 H ATOM 2496 N PHE A 831 18.514 -0.426 7.508 1.00 16.45 N ATOM 2497 CA PHE A 831 19.884 -0.588 8.001 1.00 16.97 C ATOM 2498 C PHE A 831 20.657 -1.589 7.164 1.00 21.06 C ATOM 2499 O PHE A 831 21.844 -1.399 6.979 1.00 20.47 O ATOM 2500 CB PHE A 831 19.932 -0.930 9.499 1.00 18.46 C ATOM 2501 CG PHE A 831 19.296 0.090 10.405 1.00 19.14 C ATOM 2502 CD1 PHE A 831 19.211 1.428 10.028 1.00 21.26 C ATOM 2503 CD2 PHE A 831 18.797 -0.279 11.649 1.00 21.50 C ATOM 2504 CE1 PHE A 831 18.603 2.368 10.859 1.00 23.03 C ATOM 2505 CE2 PHE A 831 18.202 0.667 12.489 1.00 24.01 C ATOM 2506 CZ PHE A 831 18.113 1.985 12.093 1.00 22.13 C ATOM 2507 H PHE A 831 17.724 -0.763 8.094 1.00 0.00 H ATOM 2508 N SER A 832 19.970 -2.596 6.576 1.00 18.29 N ATOM 2509 CA SER A 832 20.607 -3.560 5.678 1.00 19.08 C ATOM 2510 C SER A 832 21.105 -2.817 4.426 1.00 24.07 C ATOM 2511 O SER A 832 22.229 -3.062 3.979 1.00 24.59 O ATOM 2512 CB SER A 832 19.621 -4.657 5.288 1.00 22.41 C ATOM 2513 OG SER A 832 19.644 -5.692 6.253 1.00 30.14 O ATOM 2514 HG SER A 832 19.002 -6.399 5.992 1.00 0.00 H ATOM 2515 H SER A 832 18.952 -2.688 6.769 1.00 0.00 H ATOM 2516 N GLN A 833 20.287 -1.868 3.902 1.00 19.07 N ATOM 2517 CA GLN A 833 20.649 -1.035 2.753 1.00 17.56 C ATOM 2518 C GLN A 833 21.826 -0.141 3.118 1.00 23.30 C ATOM 2519 O GLN A 833 22.776 -0.057 2.348 1.00 24.64 O ATOM 2520 CB GLN A 833 19.456 -0.195 2.266 1.00 17.67 C ATOM 2521 CG GLN A 833 19.828 0.694 1.079 1.00 23.30 C ATOM 2522 CD GLN A 833 18.710 1.529 0.550 1.00 29.06 C ATOM 2523 OE1 GLN A 833 17.568 1.079 0.434 1.00 19.10 O ATOM 2524 NE2 GLN A 833 19.038 2.761 0.155 1.00 16.62 N ATOM 2525 HE22 GLN A 833 20.014 3.102 0.271 1.00 0.00 H ATOM 2526 HE21 GLN A 833 18.318 3.380 -0.269 1.00 0.00 H ATOM 2527 H GLN A 833 19.354 -1.725 4.340 1.00 0.00 H ATOM 2528 N GLY A 834 21.744 0.509 4.289 1.00 20.82 N ATOM 2529 CA GLY A 834 22.797 1.388 4.808 1.00 21.87 C ATOM 2530 C GLY A 834 24.142 0.698 4.890 1.00 26.13 C ATOM 2531 O GLY A 834 25.157 1.283 4.516 1.00 26.72 O ATOM 2532 H GLY A 834 20.885 0.382 4.861 1.00 0.00 H ATOM 2533 N ASP A 835 24.147 -0.580 5.315 1.00 23.78 N ATOM 2534 CA ASP A 835 25.349 -1.414 5.399 1.00 24.89 C ATOM 2535 C ASP A 835 25.925 -1.677 4.001 1.00 28.60 C ATOM 2536 O ASP A 835 27.141 -1.627 3.827 1.00 29.58 O ATOM 2537 CB ASP A 835 25.042 -2.740 6.121 1.00 26.75 C ATOM 2538 CG ASP A 835 24.723 -2.635 7.604 1.00 30.80 C ATOM 2539 OD1 ASP A 835 24.916 -1.544 8.179 1.00 30.29 O ATOM 2540 OD2 ASP A 835 24.253 -3.636 8.180 1.00 34.38 O ATOM 2541 H ASP A 835 23.241 -1.002 5.602 1.00 0.00 H ATOM 2542 N LEU A 836 25.051 -1.908 3.000 1.00 23.53 N ATOM 2543 CA LEU A 836 25.483 -2.121 1.615 1.00 23.42 C ATOM 2544 C LEU A 836 26.098 -0.845 1.043 1.00 26.16 C ATOM 2545 O LEU A 836 27.138 -0.914 0.385 1.00 27.43 O ATOM 2546 CB LEU A 836 24.335 -2.603 0.722 1.00 23.16 C ATOM 2547 CG LEU A 836 23.786 -3.994 0.980 1.00 28.34 C ATOM 2548 CD1 LEU A 836 22.581 -4.240 0.121 1.00 27.15 C ATOM 2549 CD2 LEU A 836 24.853 -5.073 0.751 1.00 33.04 C ATOM 2550 H LEU A 836 24.035 -1.936 3.218 1.00 0.00 H ATOM 2551 N GLU A 837 25.490 0.317 1.349 1.00 21.50 N ATOM 2552 CA GLU A 837 25.956 1.646 0.925 1.00 22.33 C ATOM 2553 C GLU A 837 27.357 1.965 1.455 1.00 31.08 C ATOM 2554 O GLU A 837 28.180 2.494 0.704 1.00 32.09 O ATOM 2555 CB GLU A 837 24.949 2.742 1.307 1.00 22.77 C ATOM 2556 CG GLU A 837 23.657 2.672 0.498 1.00 25.53 C ATOM 2557 CD GLU A 837 22.515 3.585 0.910 1.00 39.75 C ATOM 2558 OE1 GLU A 837 22.464 3.978 2.094 1.00 36.69 O ATOM 2559 OE2 GLU A 837 21.617 3.830 0.075 1.00 34.50 O ATOM 2560 H GLU A 837 24.627 0.271 1.928 1.00 0.00 H ATOM 2561 N LYS A 838 27.631 1.607 2.728 1.00 29.20 N ATOM 2562 CA LYS A 838 28.939 1.786 3.370 1.00 29.71 C ATOM 2563 C LYS A 838 29.983 0.909 2.671 1.00 35.70 C ATOM 2564 O LYS A 838 31.073 1.394 2.390 1.00 36.15 O ATOM 2565 CB LYS A 838 28.874 1.452 4.867 1.00 30.41 C ATOM 2566 CG LYS A 838 28.130 2.486 5.688 1.00 28.62 C ATOM 2567 CD LYS A 838 28.016 2.049 7.129 1.00 33.65 C ATOM 2568 CE LYS A 838 27.289 3.066 7.968 1.00 39.15 C ATOM 2569 NZ LYS A 838 27.216 2.656 9.396 1.00 33.54 N ATOM 2570 HZ1 LYS A 838 26.710 1.750 9.470 1.00 0.00 H ATOM 2571 HZ2 LYS A 838 28.179 2.549 9.774 1.00 0.00 H ATOM 2572 HZ3 LYS A 838 26.708 3.383 9.939 1.00 0.00 H ATOM 2573 H LYS A 838 26.868 1.178 3.289 1.00 0.00 H ATOM 2574 N ALA A 839 29.619 -0.352 2.333 1.00 32.91 N ATOM 2575 CA ALA A 839 30.480 -1.315 1.633 1.00 34.27 C ATOM 2576 C ALA A 839 30.799 -0.857 0.201 1.00 42.04 C ATOM 2577 O ALA A 839 31.798 -1.293 -0.370 1.00 43.98 O ATOM 2578 CB ALA A 839 29.833 -2.691 1.616 1.00 33.81 C ATOM 2579 H ALA A 839 28.659 -0.661 2.588 1.00 0.00 H ATOM 2580 N MET A 840 29.957 0.025 -0.367 1.00 38.47 N ATOM 2581 CA MET A 840 30.115 0.626 -1.699 1.00 38.77 C ATOM 2582 C MET A 840 30.994 1.883 -1.621 1.00 42.32 C ATOM 2583 O MET A 840 31.350 2.446 -2.654 1.00 41.65 O ATOM 2584 CB MET A 840 28.746 1.039 -2.255 1.00 40.08 C ATOM 2585 CG MET A 840 27.961 -0.078 -2.873 1.00 43.65 C ATOM 2586 SD MET A 840 26.315 0.508 -3.373 1.00 47.00 S ATOM 2587 CE MET A 840 26.755 1.683 -4.630 1.00 43.96 C ATOM 2588 H MET A 840 29.121 0.306 0.184 1.00 0.00 H ATOM 2589 N GLY A 841 31.264 2.344 -0.402 1.00 39.75 N ATOM 2590 CA GLY A 841 32.062 3.540 -0.154 1.00 40.72 C ATOM 2591 C GLY A 841 31.241 4.813 -0.097 1.00 44.36 C ATOM 2592 O GLY A 841 31.794 5.916 -0.114 1.00 44.35 O ATOM 2593 H GLY A 841 30.887 1.825 0.416 1.00 0.00 H ATOM 2594 N ASN A 842 29.909 4.670 -0.026 1.00 40.33 N ATOM 2595 CA ASN A 842 28.990 5.802 0.036 1.00 40.10 C ATOM 2596 C ASN A 842 28.560 6.083 1.478 1.00 44.60 C ATOM 2597 O ASN A 842 28.623 5.192 2.329 1.00 44.90 O ATOM 2598 CB ASN A 842 27.766 5.539 -0.849 1.00 42.32 C ATOM 2599 CG ASN A 842 28.063 5.388 -2.324 1.00 63.62 C ATOM 2600 OD1 ASN A 842 29.141 5.731 -2.823 1.00 56.40 O ATOM 2601 ND2 ASN A 842 27.093 4.884 -3.066 1.00 57.93 N ATOM 2602 HD22 ASN A 842 26.194 4.602 -2.625 1.00 0.00 H ATOM 2603 HD21 ASN A 842 27.228 4.769 -4.091 1.00 0.00 H ATOM 2604 H ASN A 842 29.513 3.708 -0.015 1.00 0.00 H ATOM 2605 N ARG A 843 28.150 7.325 1.754 1.00 40.59 N ATOM 2606 CA ARG A 843 27.672 7.709 3.074 1.00 40.53 C ATOM 2607 C ARG A 843 26.147 7.594 3.048 1.00 41.96 C ATOM 2608 O ARG A 843 25.491 8.380 2.353 1.00 41.68 O ATOM 2609 CB ARG A 843 28.120 9.135 3.468 1.00 44.61 C ATOM 2610 CG ARG A 843 29.636 9.360 3.494 1.00 63.46 C ATOM 2611 CD ARG A 843 30.290 8.847 4.766 1.00 80.96 C ATOM 2612 NE ARG A 843 31.749 8.866 4.676 1.00 94.91 N ATOM 2613 CZ ARG A 843 32.511 9.882 5.067 1.00113.16 C ATOM 2614 NH1 ARG A 843 31.961 10.976 5.580 1.00102.07 N ATOM 2615 NH2 ARG A 843 33.829 9.813 4.946 1.00101.89 N ATOM 2616 HE ARG A 843 32.222 8.029 4.280 1.00 0.00 H ATOM 2617 HH12 ARG A 843 32.563 11.767 5.884 1.00 0.00 H ATOM 2618 HH11 ARG A 843 30.928 11.042 5.678 1.00 0.00 H ATOM 2619 HH22 ARG A 843 34.422 10.610 5.253 1.00 0.00 H ATOM 2620 HH21 ARG A 843 34.270 8.962 4.544 1.00 0.00 H ATOM 2621 H ARG A 843 28.173 8.041 1.000 1.00 0.00 H ATOM 2622 N PRO A 844 25.556 6.590 3.740 1.00 35.30 N ATOM 2623 CA PRO A 844 24.090 6.470 3.734 1.00 33.87 C ATOM 2624 C PRO A 844 23.403 7.622 4.460 1.00 38.04 C ATOM 2625 O PRO A 844 24.026 8.268 5.305 1.00 37.43 O ATOM 2626 CB PRO A 844 23.849 5.153 4.478 1.00 35.08 C ATOM 2627 CG PRO A 844 25.027 4.972 5.329 1.00 39.88 C ATOM 2628 CD PRO A 844 26.176 5.563 4.599 1.00 36.33 C ATOM 2629 N MET A 845 22.106 7.839 4.177 1.00 36.14 N ATOM 2630 CA MET A 845 21.293 8.850 4.863 1.00 37.06 C ATOM 2631 C MET A 845 21.206 8.442 6.336 1.00 36.88 C ATOM 2632 O MET A 845 21.277 7.250 6.629 1.00 33.05 O ATOM 2633 CB MET A 845 19.874 8.870 4.286 1.00 39.82 C ATOM 2634 CG MET A 845 19.617 9.989 3.308 1.00 45.35 C ATOM 2635 SD MET A 845 17.834 10.256 3.077 1.00 51.20 S ATOM 2636 CE MET A 845 17.332 8.673 2.480 1.00 46.84 C ATOM 2637 H MET A 845 21.658 7.263 3.436 1.00 0.00 H ATOM 2638 N GLU A 846 21.049 9.414 7.254 1.00 34.29 N ATOM 2639 CA GLU A 846 20.971 9.154 8.699 1.00 34.28 C ATOM 2640 C GLU A 846 20.017 8.003 9.046 1.00 33.50 C ATOM 2641 O GLU A 846 20.415 7.088 9.768 1.00 31.32 O ATOM 2642 CB GLU A 846 20.584 10.435 9.468 1.00 36.91 C ATOM 2643 CG GLU A 846 20.803 10.342 10.965 1.00 53.35 C ATOM 2644 CD GLU A 846 21.025 11.682 11.631 1.00 82.00 C ATOM 2645 OE1 GLU A 846 20.024 12.393 11.878 1.00 88.82 O ATOM 2646 OE2 GLU A 846 22.199 12.027 11.899 1.00 73.80 O ATOM 2647 H GLU A 846 20.979 10.398 6.925 1.00 0.00 H ATOM 2648 N MET A 847 18.785 8.021 8.472 1.00 28.54 N ATOM 2649 CA MET A 847 17.757 7.006 8.713 1.00 27.05 C ATOM 2650 C MET A 847 18.151 5.602 8.255 1.00 31.12 C ATOM 2651 O MET A 847 17.524 4.627 8.686 1.00 30.43 O ATOM 2652 CB MET A 847 16.403 7.431 8.107 1.00 28.79 C ATOM 2653 CG MET A 847 16.362 7.462 6.572 1.00 31.88 C ATOM 2654 SD MET A 847 14.662 7.620 5.955 1.00 35.29 S ATOM 2655 CE MET A 847 14.341 9.345 6.331 1.00 33.14 C ATOM 2656 H MET A 847 18.559 8.802 7.823 1.00 0.00 H ATOM 2657 N MET A 848 19.178 5.497 7.379 1.00 27.79 N ATOM 2658 CA MET A 848 19.654 4.217 6.841 1.00 27.46 C ATOM 2659 C MET A 848 20.894 3.735 7.594 1.00 25.96 C ATOM 2660 O MET A 848 21.321 2.598 7.412 1.00 22.83 O ATOM 2661 CB MET A 848 19.999 4.348 5.340 1.00 30.67 C ATOM 2662 CG MET A 848 18.982 5.116 4.520 1.00 35.86 C ATOM 2663 SD MET A 848 17.495 4.150 4.291 1.00 41.28 S ATOM 2664 CE MET A 848 16.532 5.246 3.351 1.00 38.90 C ATOM 2665 H MET A 848 19.654 6.369 7.071 1.00 0.00 H ATOM 2666 N ASP A 849 21.459 4.590 8.452 1.00 24.35 N ATOM 2667 CA ASP A 849 22.707 4.331 9.170 1.00 24.69 C ATOM 2668 C ASP A 849 22.414 3.848 10.587 1.00 28.89 C ATOM 2669 O ASP A 849 22.030 4.652 11.438 1.00 27.90 O ATOM 2670 CB ASP A 849 23.560 5.618 9.187 1.00 26.17 C ATOM 2671 CG ASP A 849 25.006 5.454 9.606 1.00 30.18 C ATOM 2672 OD1 ASP A 849 25.310 4.488 10.337 1.00 30.08 O ATOM 2673 OD2 ASP A 849 25.833 6.297 9.213 1.00 34.44 O ATOM 2674 H ASP A 849 20.981 5.498 8.620 1.00 0.00 H ATOM 2675 N ARG A 850 22.643 2.541 10.850 1.00 26.09 N ATOM 2676 CA ARG A 850 22.390 1.930 12.157 1.00 26.22 C ATOM 2677 C ARG A 850 23.213 2.535 13.294 1.00 30.07 C ATOM 2678 O ARG A 850 22.844 2.375 14.458 1.00 30.11 O ATOM 2679 CB ARG A 850 22.546 0.401 12.111 1.00 26.84 C ATOM 2680 CG ARG A 850 23.979 -0.119 12.047 1.00 23.47 C ATOM 2681 CD ARG A 850 24.032 -1.624 12.212 1.00 25.13 C ATOM 2682 NE ARG A 850 23.542 -2.358 11.035 1.00 20.84 N ATOM 2683 CZ ARG A 850 22.371 -2.980 10.968 1.00 32.94 C ATOM 2684 NH1 ARG A 850 21.525 -2.928 11.992 1.00 21.15 N ATOM 2685 NH2 ARG A 850 22.029 -3.649 9.873 1.00 24.17 N ATOM 2686 HE ARG A 850 24.156 -2.392 10.196 1.00 0.00 H ATOM 2687 HH12 ARG A 850 20.609 -3.417 11.935 1.00 0.00 H ATOM 2688 HH11 ARG A 850 21.779 -2.398 12.850 1.00 0.00 H ATOM 2689 HH22 ARG A 850 21.110 -4.134 9.826 1.00 0.00 H ATOM 2690 HH21 ARG A 850 22.680 -3.687 9.063 1.00 0.00 H ATOM 2691 H ARG A 850 23.017 1.941 10.087 1.00 0.00 H ATOM 2692 N GLU A 851 24.298 3.245 12.958 1.00 26.97 N ATOM 2693 CA GLU A 851 25.161 3.897 13.946 1.00 28.04 C ATOM 2694 C GLU A 851 24.684 5.316 14.271 1.00 32.72 C ATOM 2695 O GLU A 851 25.058 5.853 15.310 1.00 34.67 O ATOM 2696 CB GLU A 851 26.628 3.936 13.450 1.00 30.06 C ATOM 2697 CG GLU A 851 27.291 2.575 13.271 1.00 39.08 C ATOM 2698 CD GLU A 851 27.266 1.655 14.477 1.00 73.15 C ATOM 2699 OE1 GLU A 851 27.758 2.062 15.556 1.00 78.05 O ATOM 2700 OE2 GLU A 851 26.755 0.519 14.340 1.00 70.22 O ATOM 2701 H GLU A 851 24.539 3.338 11.950 1.00 0.00 H ATOM 2702 N LYS A 852 23.870 5.923 13.388 1.00 28.88 N ATOM 2703 CA LYS A 852 23.405 7.308 13.539 1.00 28.96 C ATOM 2704 C LYS A 852 21.920 7.472 13.784 1.00 31.22 C ATOM 2705 O LYS A 852 21.529 8.432 14.449 1.00 30.78 O ATOM 2706 CB LYS A 852 23.822 8.153 12.318 1.00 31.97 C ATOM 2707 CG LYS A 852 25.318 8.437 12.257 1.00 47.53 C ATOM 2708 CD LYS A 852 25.697 9.187 10.993 1.00 59.54 C ATOM 2709 CE LYS A 852 27.196 9.296 10.837 1.00 72.80 C ATOM 2710 NZ LYS A 852 27.580 9.830 9.502 1.00 80.66 N ATOM 2711 HZ1 LYS A 852 27.221 9.196 8.760 1.00 0.00 H ATOM 2712 HZ2 LYS A 852 27.170 10.778 9.378 1.00 0.00 H ATOM 2713 HZ3 LYS A 852 28.616 9.888 9.438 1.00 0.00 H ATOM 2714 H LYS A 852 23.554 5.384 12.556 1.00 0.00 H ATOM 2715 N ALA A 853 21.086 6.572 13.222 1.00 26.48 N ATOM 2716 CA ALA A 853 19.632 6.626 13.313 1.00 25.37 C ATOM 2717 C ALA A 853 19.097 6.582 14.736 1.00 28.86 C ATOM 2718 O ALA A 853 19.491 5.727 15.517 1.00 28.41 O ATOM 2719 CB ALA A 853 19.012 5.519 12.480 1.00 25.09 C ATOM 2720 H ALA A 853 21.509 5.787 12.688 1.00 0.00 H ATOM 2721 N TYR A 854 18.198 7.514 15.063 1.00 24.42 N ATOM 2722 CA TYR A 854 17.540 7.566 16.358 1.00 24.00 C ATOM 2723 C TYR A 854 16.060 7.381 16.089 1.00 25.84 C ATOM 2724 O TYR A 854 15.341 8.341 15.781 1.00 25.33 O ATOM 2725 CB TYR A 854 17.883 8.867 17.108 1.00 26.17 C ATOM 2726 CG TYR A 854 17.277 8.953 18.487 1.00 28.51 C ATOM 2727 CD1 TYR A 854 17.616 8.036 19.481 1.00 30.66 C ATOM 2728 CD2 TYR A 854 16.374 9.959 18.809 1.00 30.41 C ATOM 2729 CE1 TYR A 854 17.067 8.118 20.761 1.00 32.78 C ATOM 2730 CE2 TYR A 854 15.821 10.057 20.089 1.00 32.77 C ATOM 2731 CZ TYR A 854 16.176 9.138 21.064 1.00 42.45 C ATOM 2732 OH TYR A 854 15.634 9.218 22.330 1.00 46.15 O ATOM 2733 HH TYR A 854 15.998 8.487 22.890 1.00 0.00 H ATOM 2734 H TYR A 854 17.957 8.238 14.356 1.00 0.00 H ATOM 2735 N ILE A 855 15.629 6.101 16.137 1.00 20.44 N ATOM 2736 CA ILE A 855 14.306 5.597 15.781 1.00 20.34 C ATOM 2737 C ILE A 855 13.136 6.453 16.327 1.00 26.76 C ATOM 2738 O ILE A 855 12.303 6.812 15.483 1.00 26.52 O ATOM 2739 CB ILE A 855 14.140 4.081 16.089 1.00 22.69 C ATOM 2740 CG1 ILE A 855 15.105 3.257 15.178 1.00 22.95 C ATOM 2741 CG2 ILE A 855 12.685 3.627 15.899 1.00 21.05 C ATOM 2742 CD1 ILE A 855 15.161 1.777 15.398 1.00 29.97 C ATOM 2743 H ILE A 855 16.318 5.395 16.465 1.00 0.00 H ATOM 2744 N PRO A 856 13.016 6.818 17.635 1.00 25.59 N ATOM 2745 CA PRO A 856 11.845 7.618 18.045 1.00 26.34 C ATOM 2746 C PRO A 856 11.691 8.965 17.305 1.00 28.72 C ATOM 2747 O PRO A 856 10.595 9.293 16.860 1.00 25.33 O ATOM 2748 CB PRO A 856 12.009 7.760 19.565 1.00 29.31 C ATOM 2749 CG PRO A 856 13.366 7.392 19.864 1.00 34.20 C ATOM 2750 CD PRO A 856 13.863 6.481 18.805 1.00 27.89 C ATOM 2751 N GLU A 857 12.795 9.679 17.099 1.00 26.34 N ATOM 2752 CA GLU A 857 12.842 10.957 16.374 1.00 25.81 C ATOM 2753 C GLU A 857 12.448 10.769 14.892 1.00 28.08 C ATOM 2754 O GLU A 857 11.663 11.557 14.350 1.00 27.26 O ATOM 2755 CB GLU A 857 14.257 11.517 16.461 1.00 27.54 C ATOM 2756 CG GLU A 857 14.401 13.008 16.243 1.00 41.88 C ATOM 2757 CD GLU A 857 15.784 13.486 16.649 1.00 71.56 C ATOM 2758 OE1 GLU A 857 16.667 13.570 15.765 1.00 64.42 O ATOM 2759 OE2 GLU A 857 16.007 13.703 17.864 1.00 66.71 O ATOM 2760 H GLU A 857 13.689 9.306 17.478 1.00 0.00 H ATOM 2761 N LEU A 858 12.988 9.717 14.251 1.00 22.72 N ATOM 2762 CA LEU A 858 12.678 9.386 12.859 1.00 22.10 C ATOM 2763 C LEU A 858 11.214 9.017 12.696 1.00 25.56 C ATOM 2764 O LEU A 858 10.567 9.479 11.749 1.00 25.53 O ATOM 2765 CB LEU A 858 13.590 8.277 12.325 1.00 21.71 C ATOM 2766 CG LEU A 858 15.078 8.633 12.233 1.00 27.20 C ATOM 2767 CD1 LEU A 858 15.895 7.392 12.055 1.00 27.94 C ATOM 2768 CD2 LEU A 858 15.359 9.627 11.093 1.00 28.59 C ATOM 2769 H LEU A 858 13.656 9.111 14.768 1.00 0.00 H ATOM 2770 N GLN A 859 10.673 8.233 13.650 1.00 21.37 N ATOM 2771 CA GLN A 859 9.267 7.850 13.638 1.00 20.74 C ATOM 2772 C GLN A 859 8.343 9.051 13.845 1.00 24.98 C ATOM 2773 O GLN A 859 7.381 9.207 13.090 1.00 23.34 O ATOM 2774 CB GLN A 859 8.991 6.730 14.649 1.00 22.70 C ATOM 2775 CG GLN A 859 9.458 5.361 14.148 1.00 23.28 C ATOM 2776 CD GLN A 859 8.628 4.900 12.984 1.00 38.01 C ATOM 2777 OE1 GLN A 859 7.467 4.537 13.144 1.00 33.23 O ATOM 2778 NE2 GLN A 859 9.186 4.978 11.780 1.00 25.92 N ATOM 2779 HE22 GLN A 859 10.173 5.290 11.684 1.00 0.00 H ATOM 2780 HE21 GLN A 859 8.635 4.727 10.934 1.00 0.00 H ATOM 2781 H GLN A 859 11.280 7.890 14.421 1.00 0.00 H ATOM 2782 N ILE A 860 8.677 9.940 14.802 1.00 22.25 N ATOM 2783 CA ILE A 860 7.887 11.158 15.057 1.00 22.82 C ATOM 2784 C ILE A 860 7.868 12.045 13.787 1.00 26.89 C ATOM 2785 O ILE A 860 6.805 12.537 13.386 1.00 24.88 O ATOM 2786 CB ILE A 860 8.389 11.918 16.320 1.00 27.23 C ATOM 2787 CG1 ILE A 860 8.017 11.152 17.623 1.00 27.58 C ATOM 2788 CG2 ILE A 860 7.848 13.359 16.359 1.00 28.25 C ATOM 2789 CD1 ILE A 860 8.939 11.480 18.857 1.00 32.16 C ATOM 2790 H ILE A 860 9.522 9.760 15.381 1.00 0.00 H ATOM 2791 N SER A 861 9.041 12.207 13.143 1.00 24.52 N ATOM 2792 CA SER A 861 9.199 12.994 11.914 1.00 23.30 C ATOM 2793 C SER A 861 8.348 12.427 10.771 1.00 24.23 C ATOM 2794 O SER A 861 7.638 13.187 10.102 1.00 21.84 O ATOM 2795 CB SER A 861 10.666 13.082 11.519 1.00 28.26 C ATOM 2796 OG SER A 861 10.824 13.701 10.252 1.00 44.94 O ATOM 2797 HG SER A 861 10.451 14.618 10.285 1.00 0.00 H ATOM 2798 H SER A 861 9.885 11.747 13.541 1.00 0.00 H ATOM 2799 N PHE A 862 8.404 11.097 10.551 1.00 20.67 N ATOM 2800 CA PHE A 862 7.578 10.464 9.521 1.00 19.69 C ATOM 2801 C PHE A 862 6.079 10.675 9.801 1.00 25.89 C ATOM 2802 O PHE A 862 5.326 10.949 8.871 1.00 25.60 O ATOM 2803 CB PHE A 862 7.900 8.970 9.388 1.00 19.81 C ATOM 2804 CG PHE A 862 7.134 8.324 8.261 1.00 20.25 C ATOM 2805 CD1 PHE A 862 7.527 8.504 6.941 1.00 22.84 C ATOM 2806 CD2 PHE A 862 5.989 7.579 8.514 1.00 21.74 C ATOM 2807 CE1 PHE A 862 6.794 7.934 5.898 1.00 23.79 C ATOM 2808 CE2 PHE A 862 5.259 7.010 7.466 1.00 24.38 C ATOM 2809 CZ PHE A 862 5.668 7.191 6.172 1.00 22.43 C ATOM 2810 H PHE A 862 9.045 10.511 11.123 1.00 0.00 H ATOM 2811 N MET A 863 5.663 10.591 11.086 1.00 25.86 N ATOM 2812 CA MET A 863 4.276 10.780 11.514 1.00 25.90 C ATOM 2813 C MET A 863 3.809 12.199 11.249 1.00 28.80 C ATOM 2814 O MET A 863 2.766 12.400 10.654 1.00 28.43 O ATOM 2815 CB MET A 863 4.099 10.454 13.008 1.00 29.53 C ATOM 2816 CG MET A 863 4.056 8.980 13.343 1.00 33.82 C ATOM 2817 SD MET A 863 3.120 7.980 12.169 1.00 38.36 S ATOM 2818 CE MET A 863 2.178 6.953 13.313 1.00 35.83 C ATOM 2819 H MET A 863 6.373 10.379 11.815 1.00 0.00 H ATOM 2820 N GLU A 864 4.583 13.180 11.700 1.00 26.81 N ATOM 2821 CA GLU A 864 4.250 14.592 11.568 1.00 27.14 C ATOM 2822 C GLU A 864 4.234 15.087 10.141 1.00 31.30 C ATOM 2823 O GLU A 864 3.336 15.841 9.784 1.00 30.91 O ATOM 2824 CB GLU A 864 5.258 15.437 12.344 1.00 29.35 C ATOM 2825 CG GLU A 864 4.758 15.894 13.685 1.00 43.74 C ATOM 2826 CD GLU A 864 5.652 16.966 14.259 1.00 73.97 C ATOM 2827 OE1 GLU A 864 6.681 16.610 14.876 1.00 53.99 O ATOM 2828 OE2 GLU A 864 5.300 18.160 14.131 1.00 82.58 O ATOM 2829 H GLU A 864 5.474 12.926 12.172 1.00 0.00 H ATOM 2830 N HIS A 865 5.235 14.714 9.334 1.00 28.63 N ATOM 2831 CA HIS A 865 5.369 15.282 7.999 1.00 29.78 C ATOM 2832 C HIS A 865 4.800 14.442 6.860 1.00 28.97 C ATOM 2833 O HIS A 865 4.536 15.003 5.797 1.00 27.14 O ATOM 2834 CB HIS A 865 6.838 15.648 7.742 1.00 32.66 C ATOM 2835 CG HIS A 865 7.409 16.490 8.844 1.00 38.40 C ATOM 2836 ND1 HIS A 865 8.325 15.972 9.730 1.00 41.19 N ATOM 2837 CD2 HIS A 865 7.105 17.757 9.225 1.00 42.14 C ATOM 2838 CE1 HIS A 865 8.575 16.938 10.600 1.00 41.79 C ATOM 2839 NE2 HIS A 865 7.866 18.032 10.336 1.00 42.75 N ATOM 2840 H HIS A 865 5.926 14.010 9.664 1.00 0.00 H ATOM 2841 N ILE A 866 4.598 13.140 7.065 1.00 23.90 N ATOM 2842 CA ILE A 866 4.061 12.278 6.011 1.00 22.27 C ATOM 2843 C ILE A 866 2.689 11.688 6.366 1.00 24.56 C ATOM 2844 O ILE A 866 1.705 12.006 5.694 1.00 24.41 O ATOM 2845 CB ILE A 866 5.091 11.169 5.581 1.00 24.99 C ATOM 2846 CG1 ILE A 866 6.505 11.754 5.252 1.00 26.14 C ATOM 2847 CG2 ILE A 866 4.549 10.298 4.427 1.00 25.94 C ATOM 2848 CD1 ILE A 866 6.633 12.619 3.988 1.00 30.10 C ATOM 2849 H ILE A 866 4.827 12.729 7.992 1.00 0.00 H ATOM 2850 N ALA A 867 2.622 10.810 7.385 1.00 19.91 N ATOM 2851 CA ALA A 867 1.399 10.074 7.704 1.00 19.72 C ATOM 2852 C ALA A 867 0.235 10.940 8.165 1.00 22.41 C ATOM 2853 O ALA A 867 -0.824 10.851 7.562 1.00 21.95 O ATOM 2854 CB ALA A 867 1.676 8.964 8.709 1.00 20.75 C ATOM 2855 H ALA A 867 3.470 10.650 7.966 1.00 0.00 H ATOM 2856 N MET A 868 0.420 11.767 9.225 1.00 20.22 N ATOM 2857 CA MET A 868 -0.657 12.617 9.750 1.00 20.41 C ATOM 2858 C MET A 868 -1.276 13.523 8.679 1.00 27.29 C ATOM 2859 O MET A 868 -2.502 13.485 8.566 1.00 28.81 O ATOM 2860 CB MET A 868 -0.232 13.405 11.000 1.00 22.91 C ATOM 2861 CG MET A 868 -0.137 12.535 12.239 1.00 26.69 C ATOM 2862 SD MET A 868 0.717 13.351 13.603 1.00 32.61 S ATOM 2863 CE MET A 868 -0.496 14.611 14.017 1.00 30.78 C ATOM 2864 H MET A 868 1.354 11.800 9.680 1.00 0.00 H ATOM 2865 N PRO A 869 -0.504 14.239 7.809 1.00 24.42 N ATOM 2866 CA PRO A 869 -1.163 15.041 6.759 1.00 24.70 C ATOM 2867 C PRO A 869 -1.996 14.210 5.761 1.00 27.73 C ATOM 2868 O PRO A 869 -3.025 14.696 5.290 1.00 27.93 O ATOM 2869 CB PRO A 869 0.013 15.771 6.090 1.00 26.51 C ATOM 2870 CG PRO A 869 1.106 15.790 7.140 1.00 30.07 C ATOM 2871 CD PRO A 869 0.963 14.454 7.789 1.00 24.89 C ATOM 2872 N ILE A 870 -1.572 12.954 5.464 1.00 23.01 N ATOM 2873 CA ILE A 870 -2.307 12.041 4.561 1.00 22.25 C ATOM 2874 C ILE A 870 -3.674 11.691 5.161 1.00 25.13 C ATOM 2875 O ILE A 870 -4.693 11.840 4.489 1.00 24.80 O ATOM 2876 CB ILE A 870 -1.481 10.768 4.193 1.00 23.79 C ATOM 2877 CG1 ILE A 870 -0.387 11.121 3.200 1.00 24.22 C ATOM 2878 CG2 ILE A 870 -2.353 9.628 3.623 1.00 22.41 C ATOM 2879 CD1 ILE A 870 0.847 10.198 3.236 1.00 24.36 C ATOM 2880 H ILE A 870 -0.686 12.617 5.893 1.00 0.00 H ATOM 2881 N TYR A 871 -3.693 11.243 6.425 1.00 21.63 N ATOM 2882 CA TYR A 871 -4.943 10.866 7.066 1.00 21.47 C ATOM 2883 C TYR A 871 -5.810 12.072 7.427 1.00 25.46 C ATOM 2884 O TYR A 871 -7.024 11.911 7.517 1.00 27.08 O ATOM 2885 CB TYR A 871 -4.707 9.916 8.242 1.00 21.87 C ATOM 2886 CG TYR A 871 -4.161 8.593 7.746 1.00 20.62 C ATOM 2887 CD1 TYR A 871 -4.986 7.670 7.098 1.00 21.39 C ATOM 2888 CD2 TYR A 871 -2.800 8.317 7.809 1.00 20.75 C ATOM 2889 CE1 TYR A 871 -4.467 6.487 6.559 1.00 20.70 C ATOM 2890 CE2 TYR A 871 -2.280 7.122 7.320 1.00 20.09 C ATOM 2891 CZ TYR A 871 -3.113 6.222 6.674 1.00 22.94 C ATOM 2892 OH TYR A 871 -2.593 5.051 6.193 1.00 19.84 O ATOM 2893 HH TYR A 871 -3.312 4.524 5.763 1.00 0.00 H ATOM 2894 H TYR A 871 -2.801 11.164 6.954 1.00 0.00 H ATOM 2895 N LYS A 872 -5.208 13.284 7.546 1.00 22.00 N ATOM 2896 CA LYS A 872 -5.976 14.507 7.793 1.00 22.00 C ATOM 2897 C LYS A 872 -6.742 14.847 6.504 1.00 25.68 C ATOM 2898 O LYS A 872 -7.915 15.202 6.583 1.00 25.71 O ATOM 2899 CB LYS A 872 -5.082 15.687 8.243 1.00 24.45 C ATOM 2900 CG LYS A 872 -5.892 16.901 8.707 1.00 31.87 C ATOM 2901 CD LYS A 872 -6.370 16.720 10.152 1.00 50.13 C ATOM 2902 CE LYS A 872 -7.683 17.402 10.437 1.00 67.57 C ATOM 2903 NZ LYS A 872 -8.123 17.169 11.841 1.00 77.03 N ATOM 2904 HZ1 LYS A 872 -8.239 16.148 12.002 1.00 0.00 H ATOM 2905 HZ2 LYS A 872 -7.407 17.545 12.494 1.00 0.00 H ATOM 2906 HZ3 LYS A 872 -9.030 17.652 12.004 1.00 0.00 H ATOM 2907 H LYS A 872 -4.173 13.345 7.459 1.00 0.00 H ATOM 2908 N LEU A 873 -6.088 14.684 5.325 1.00 22.26 N ATOM 2909 CA LEU A 873 -6.700 14.883 4.010 1.00 22.78 C ATOM 2910 C LEU A 873 -7.834 13.882 3.811 1.00 25.75 C ATOM 2911 O LEU A 873 -8.896 14.261 3.323 1.00 27.43 O ATOM 2912 CB LEU A 873 -5.663 14.692 2.880 1.00 22.71 C ATOM 2913 CG LEU A 873 -4.776 15.874 2.511 1.00 27.54 C ATOM 2914 CD1 LEU A 873 -3.760 15.441 1.492 1.00 26.18 C ATOM 2915 CD2 LEU A 873 -5.592 17.058 1.965 1.00 33.29 C ATOM 2916 H LEU A 873 -5.088 14.400 5.358 1.00 0.00 H ATOM 2917 N LEU A 874 -7.613 12.609 4.202 1.00 20.31 N ATOM 2918 CA LEU A 874 -8.605 11.530 4.099 1.00 18.88 C ATOM 2919 C LEU A 874 -9.825 11.853 4.961 1.00 24.10 C ATOM 2920 O LEU A 874 -10.949 11.673 4.507 1.00 24.75 O ATOM 2921 CB LEU A 874 -7.995 10.178 4.502 1.00 17.37 C ATOM 2922 CG LEU A 874 -8.755 8.915 4.076 1.00 22.57 C ATOM 2923 CD1 LEU A 874 -8.787 8.774 2.541 1.00 21.90 C ATOM 2924 CD2 LEU A 874 -8.135 7.673 4.687 1.00 25.59 C ATOM 2925 H LEU A 874 -6.681 12.377 4.602 1.00 0.00 H ATOM 2926 N GLN A 875 -9.604 12.375 6.180 1.00 21.75 N ATOM 2927 CA GLN A 875 -10.673 12.785 7.087 1.00 23.19 C ATOM 2928 C GLN A 875 -11.477 13.953 6.481 1.00 30.01 C ATOM 2929 O GLN A 875 -12.708 13.942 6.560 1.00 30.64 O ATOM 2930 CB GLN A 875 -10.080 13.180 8.454 1.00 25.35 C ATOM 2931 CG GLN A 875 -11.099 13.643 9.468 1.00 40.79 C ATOM 2932 CD GLN A 875 -10.430 14.277 10.652 1.00 53.41 C ATOM 2933 OE1 GLN A 875 -9.705 13.631 11.412 1.00 42.95 O ATOM 2934 NE2 GLN A 875 -10.669 15.562 10.833 1.00 52.55 N ATOM 2935 HE22 GLN A 875 -11.286 16.074 10.171 1.00 0.00 H ATOM 2936 HE21 GLN A 875 -10.240 16.062 11.638 1.00 0.00 H ATOM 2937 H GLN A 875 -8.620 12.493 6.494 1.00 0.00 H ATOM 2938 N ASP A 876 -10.790 14.939 5.859 1.00 28.04 N ATOM 2939 CA ASP A 876 -11.434 16.109 5.237 1.00 29.19 C ATOM 2940 C ASP A 876 -12.390 15.704 4.111 1.00 32.69 C ATOM 2941 O ASP A 876 -13.440 16.326 3.936 1.00 31.62 O ATOM 2942 CB ASP A 876 -10.374 17.098 4.718 1.00 30.98 C ATOM 2943 CG ASP A 876 -9.512 17.765 5.785 1.00 42.38 C ATOM 2944 OD1 ASP A 876 -9.943 17.810 6.967 1.00 42.28 O ATOM 2945 OD2 ASP A 876 -8.411 18.259 5.436 1.00 48.60 O ATOM 2946 H ASP A 876 -9.753 14.867 5.818 1.00 0.00 H ATOM 2947 N LEU A 877 -12.026 14.643 3.362 1.00 27.93 N ATOM 2948 CA LEU A 877 -12.820 14.110 2.259 1.00 28.95 C ATOM 2949 C LEU A 877 -13.876 13.099 2.716 1.00 35.73 C ATOM 2950 O LEU A 877 -14.967 13.060 2.151 1.00 36.80 O ATOM 2951 CB LEU A 877 -11.898 13.500 1.198 1.00 28.10 C ATOM 2952 CG LEU A 877 -11.057 14.525 0.431 1.00 34.17 C ATOM 2953 CD1 LEU A 877 -9.774 13.914 -0.032 1.00 33.97 C ATOM 2954 CD2 LEU A 877 -11.845 15.180 -0.746 1.00 38.21 C ATOM 2955 H LEU A 877 -11.124 14.176 3.584 1.00 0.00 H ATOM 2956 N PHE A 878 -13.560 12.294 3.739 1.00 32.46 N ATOM 2957 CA PHE A 878 -14.466 11.279 4.273 1.00 32.24 C ATOM 2958 C PHE A 878 -14.588 11.454 5.790 1.00 36.21 C ATOM 2959 O PHE A 878 -13.702 10.997 6.518 1.00 35.84 O ATOM 2960 CB PHE A 878 -13.960 9.860 3.944 1.00 32.66 C ATOM 2961 CG PHE A 878 -13.675 9.580 2.487 1.00 33.87 C ATOM 2962 CD1 PHE A 878 -14.655 9.047 1.661 1.00 36.40 C ATOM 2963 CD2 PHE A 878 -12.408 9.795 1.956 1.00 36.11 C ATOM 2964 CE1 PHE A 878 -14.382 8.758 0.321 1.00 36.58 C ATOM 2965 CE2 PHE A 878 -12.137 9.512 0.616 1.00 38.10 C ATOM 2966 CZ PHE A 878 -13.129 9.004 -0.196 1.00 36.12 C ATOM 2967 H PHE A 878 -12.622 12.397 4.176 1.00 0.00 H ATOM 2968 N PRO A 879 -15.677 12.085 6.305 1.00 33.42 N ATOM 2969 CA PRO A 879 -15.805 12.261 7.769 1.00 33.23 C ATOM 2970 C PRO A 879 -15.658 10.973 8.582 1.00 34.48 C ATOM 2971 O PRO A 879 -15.102 11.026 9.671 1.00 33.87 O ATOM 2972 CB PRO A 879 -17.190 12.894 7.925 1.00 36.25 C ATOM 2973 CG PRO A 879 -17.397 13.621 6.647 1.00 41.01 C ATOM 2974 CD PRO A 879 -16.812 12.708 5.598 1.00 35.24 C ATOM 2975 N LYS A 880 -16.086 9.817 8.023 1.00 29.67 N ATOM 2976 CA LYS A 880 -15.971 8.486 8.651 1.00 29.19 C ATOM 2977 C LYS A 880 -14.505 8.027 8.840 1.00 32.82 C ATOM 2978 O LYS A 880 -14.262 7.095 9.611 1.00 34.46 O ATOM 2979 CB LYS A 880 -16.770 7.423 7.862 1.00 31.08 C ATOM 2980 CG LYS A 880 -18.285 7.544 8.006 1.00 45.54 C ATOM 2981 CD LYS A 880 -18.979 6.400 7.289 1.00 54.31 C ATOM 2982 CE LYS A 880 -20.421 6.671 6.966 1.00 70.80 C ATOM 2983 NZ LYS A 880 -20.898 5.731 5.929 1.00 78.95 N ATOM 2984 HZ1 LYS A 880 -20.328 5.849 5.067 1.00 0.00 H ATOM 2985 HZ2 LYS A 880 -20.804 4.756 6.277 1.00 0.00 H ATOM 2986 HZ3 LYS A 880 -21.896 5.930 5.715 1.00 0.00 H ATOM 2987 H LYS A 880 -16.528 9.870 7.083 1.00 0.00 H ATOM 2988 N ALA A 881 -13.539 8.667 8.142 1.00 26.26 N ATOM 2989 CA ALA A 881 -12.112 8.343 8.251 1.00 24.63 C ATOM 2990 C ALA A 881 -11.433 9.086 9.424 1.00 27.99 C ATOM 2991 O ALA A 881 -10.221 8.976 9.586 1.00 28.33 O ATOM 2992 CB ALA A 881 -11.392 8.635 6.935 1.00 24.55 C ATOM 2993 H ALA A 881 -13.823 9.429 7.494 1.00 0.00 H ATOM 2994 N ALA A 882 -12.216 9.819 10.259 1.00 24.67 N ATOM 2995 CA ALA A 882 -11.715 10.568 11.420 1.00 25.44 C ATOM 2996 C ALA A 882 -10.885 9.714 12.390 1.00 29.75 C ATOM 2997 O ALA A 882 -9.829 10.161 12.842 1.00 29.29 O ATOM 2998 CB ALA A 882 -12.873 11.226 12.162 1.00 27.41 C ATOM 2999 H ALA A 882 -13.237 9.852 10.063 1.00 0.00 H ATOM 3000 N GLU A 883 -11.363 8.492 12.698 1.00 26.66 N ATOM 3001 CA GLU A 883 -10.690 7.572 13.619 1.00 26.58 C ATOM 3002 C GLU A 883 -9.273 7.177 13.163 1.00 28.06 C ATOM 3003 O GLU A 883 -8.412 6.933 14.009 1.00 26.77 O ATOM 3004 CB GLU A 883 -11.559 6.335 13.913 1.00 28.42 C ATOM 3005 CG GLU A 883 -11.785 5.393 12.734 1.00 40.12 C ATOM 3006 CD GLU A 883 -12.702 4.234 13.055 1.00 63.29 C ATOM 3007 OE1 GLU A 883 -12.215 3.227 13.617 1.00 51.76 O ATOM 3008 OE2 GLU A 883 -13.919 4.351 12.786 1.00 61.88 O ATOM 3009 H GLU A 883 -12.255 8.186 12.260 1.00 0.00 H ATOM 3010 N LEU A 884 -9.033 7.138 11.839 1.00 22.99 N ATOM 3011 CA LEU A 884 -7.727 6.796 11.275 1.00 21.53 C ATOM 3012 C LEU A 884 -6.703 7.869 11.599 1.00 26.30 C ATOM 3013 O LEU A 884 -5.610 7.543 12.063 1.00 26.40 O ATOM 3014 CB LEU A 884 -7.822 6.567 9.754 1.00 19.94 C ATOM 3015 CG LEU A 884 -8.798 5.472 9.282 1.00 23.43 C ATOM 3016 CD1 LEU A 884 -9.009 5.556 7.784 1.00 21.78 C ATOM 3017 CD2 LEU A 884 -8.305 4.081 9.674 1.00 25.23 C ATOM 3018 H LEU A 884 -9.812 7.361 11.187 1.00 0.00 H ATOM 3019 N TYR A 885 -7.068 9.145 11.403 1.00 23.91 N ATOM 3020 CA TYR A 885 -6.196 10.281 11.723 1.00 24.36 C ATOM 3021 C TYR A 885 -5.874 10.301 13.220 1.00 28.32 C ATOM 3022 O TYR A 885 -4.709 10.492 13.589 1.00 26.32 O ATOM 3023 CB TYR A 885 -6.814 11.632 11.281 1.00 27.03 C ATOM 3024 CG TYR A 885 -6.026 12.828 11.782 1.00 30.55 C ATOM 3025 CD1 TYR A 885 -4.815 13.191 11.190 1.00 32.04 C ATOM 3026 CD2 TYR A 885 -6.446 13.545 12.896 1.00 33.27 C ATOM 3027 CE1 TYR A 885 -4.054 14.249 11.690 1.00 33.78 C ATOM 3028 CE2 TYR A 885 -5.698 14.608 13.400 1.00 35.23 C ATOM 3029 CZ TYR A 885 -4.503 14.960 12.794 1.00 43.26 C ATOM 3030 OH TYR A 885 -3.779 16.013 13.298 1.00 46.53 O ATOM 3031 HH TYR A 885 -2.958 16.136 12.758 1.00 0.00 H ATOM 3032 H TYR A 885 -8.010 9.337 11.007 1.00 0.00 H ATOM 3033 N GLU A 886 -6.907 10.107 14.068 1.00 26.22 N ATOM 3034 CA GLU A 886 -6.774 10.093 15.527 1.00 26.95 C ATOM 3035 C GLU A 886 -5.827 8.973 16.002 1.00 29.67 C ATOM 3036 O GLU A 886 -5.070 9.200 16.937 1.00 28.92 O ATOM 3037 CB GLU A 886 -8.144 10.037 16.229 1.00 29.75 C ATOM 3038 CG GLU A 886 -9.074 11.219 15.956 1.00 45.67 C ATOM 3039 CD GLU A 886 -8.905 12.503 16.756 1.00 80.47 C ATOM 3040 OE1 GLU A 886 -7.830 13.136 16.640 1.00 67.87 O ATOM 3041 OE2 GLU A 886 -9.874 12.914 17.435 1.00 89.38 O ATOM 3042 H GLU A 886 -7.853 9.959 13.661 1.00 0.00 H ATOM 3043 N ARG A 887 -5.844 7.792 15.349 1.00 25.42 N ATOM 3044 CA ARG A 887 -4.935 6.693 15.700 1.00 24.67 C ATOM 3045 C ARG A 887 -3.497 7.033 15.324 1.00 27.13 C ATOM 3046 O ARG A 887 -2.584 6.792 16.122 1.00 25.89 O ATOM 3047 CB ARG A 887 -5.365 5.367 15.056 1.00 22.91 C ATOM 3048 CG ARG A 887 -6.189 4.518 16.003 1.00 33.05 C ATOM 3049 CD ARG A 887 -7.338 3.891 15.267 1.00 37.46 C ATOM 3050 NE ARG A 887 -8.486 3.653 16.137 1.00 46.15 N ATOM 3051 CZ ARG A 887 -9.591 3.036 15.742 1.00 58.89 C ATOM 3052 NH1 ARG A 887 -9.693 2.575 14.501 1.00 35.80 N ATOM 3053 NH2 ARG A 887 -10.598 2.863 16.587 1.00 53.42 N ATOM 3054 HE ARG A 887 -8.434 3.986 17.121 1.00 0.00 H ATOM 3055 HH12 ARG A 887 -10.562 2.092 14.196 1.00 0.00 H ATOM 3056 HH11 ARG A 887 -8.904 2.697 13.834 1.00 0.00 H ATOM 3057 HH22 ARG A 887 -11.463 2.378 16.273 1.00 0.00 H ATOM 3058 HH21 ARG A 887 -10.523 3.212 17.564 1.00 0.00 H ATOM 3059 H ARG A 887 -6.522 7.656 14.573 1.00 0.00 H ATOM 3060 N VAL A 888 -3.302 7.628 14.127 1.00 23.43 N ATOM 3061 CA VAL A 888 -1.963 8.041 13.660 1.00 24.78 C ATOM 3062 C VAL A 888 -1.416 9.132 14.626 1.00 28.91 C ATOM 3063 O VAL A 888 -0.270 9.036 15.068 1.00 28.47 O ATOM 3064 CB VAL A 888 -1.926 8.466 12.172 1.00 29.12 C ATOM 3065 CG1 VAL A 888 -0.517 8.858 11.748 1.00 29.64 C ATOM 3066 CG2 VAL A 888 -2.443 7.354 11.269 1.00 28.38 C ATOM 3067 H VAL A 888 -4.123 7.801 13.513 1.00 0.00 H ATOM 3068 N ALA A 889 -2.267 10.103 15.012 1.00 26.31 N ATOM 3069 CA ALA A 889 -1.874 11.160 15.960 1.00 28.07 C ATOM 3070 C ALA A 889 -1.507 10.583 17.326 1.00 32.12 C ATOM 3071 O ALA A 889 -0.516 11.023 17.924 1.00 31.74 O ATOM 3072 CB ALA A 889 -2.984 12.177 16.110 1.00 30.12 C ATOM 3073 H ALA A 889 -3.233 10.106 14.628 1.00 0.00 H ATOM 3074 N SER A 890 -2.280 9.575 17.802 1.00 30.36 N ATOM 3075 CA SER A 890 -2.044 8.914 19.092 1.00 32.23 C ATOM 3076 C SER A 890 -0.764 8.096 19.043 1.00 36.85 C ATOM 3077 O SER A 890 -0.019 8.099 20.017 1.00 37.53 O ATOM 3078 CB SER A 890 -3.219 8.024 19.486 1.00 36.72 C ATOM 3079 OG SER A 890 -4.365 8.783 19.829 1.00 49.80 O ATOM 3080 HG SER A 890 -4.639 9.334 19.053 1.00 0.00 H ATOM 3081 H SER A 890 -3.082 9.253 17.223 1.00 0.00 H ATOM 3082 N ASN A 891 -0.486 7.436 17.904 1.00 32.56 N ATOM 3083 CA ASN A 891 0.732 6.640 17.735 1.00 32.87 C ATOM 3084 C ASN A 891 1.987 7.534 17.780 1.00 37.85 C ATOM 3085 O ASN A 891 2.968 7.144 18.407 1.00 38.33 O ATOM 3086 CB ASN A 891 0.654 5.722 16.494 1.00 31.94 C ATOM 3087 CG ASN A 891 -0.298 4.544 16.658 1.00 51.21 C ATOM 3088 OD1 ASN A 891 -0.431 3.955 17.743 1.00 43.99 O ATOM 3089 ND2 ASN A 891 -0.983 4.161 15.577 1.00 38.88 N ATOM 3090 HD22 ASN A 891 -0.859 4.666 14.677 1.00 0.00 H ATOM 3091 HD21 ASN A 891 -1.641 3.357 15.636 1.00 0.00 H ATOM 3092 H ASN A 891 -1.161 7.493 17.115 1.00 0.00 H ATOM 3093 N ARG A 892 1.909 8.766 17.228 1.00 34.21 N ATOM 3094 CA ARG A 892 2.962 9.787 17.264 1.00 33.99 C ATOM 3095 C ARG A 892 3.233 10.241 18.730 1.00 39.75 C ATOM 3096 O ARG A 892 4.388 10.480 19.105 1.00 40.42 O ATOM 3097 CB ARG A 892 2.547 10.987 16.387 1.00 33.42 C ATOM 3098 CG ARG A 892 3.572 12.125 16.330 1.00 44.86 C ATOM 3099 CD ARG A 892 2.934 13.457 16.671 1.00 59.21 C ATOM 3100 NE ARG A 892 3.938 14.496 16.898 1.00 72.75 N ATOM 3101 CZ ARG A 892 4.510 14.744 18.073 1.00 92.83 C ATOM 3102 NH1 ARG A 892 4.178 14.034 19.146 1.00 82.30 N ATOM 3103 NH2 ARG A 892 5.420 15.703 18.184 1.00 83.03 N ATOM 3104 HE ARG A 892 4.224 15.080 16.086 1.00 0.00 H ATOM 3105 HH12 ARG A 892 4.629 14.233 20.062 1.00 0.00 H ATOM 3106 HH11 ARG A 892 3.467 13.279 19.070 1.00 0.00 H ATOM 3107 HH22 ARG A 892 5.865 15.894 19.105 1.00 0.00 H ATOM 3108 HH21 ARG A 892 5.689 16.264 17.351 1.00 0.00 H ATOM 3109 H ARG A 892 1.026 9.011 16.735 1.00 0.00 H ATOM 3110 N GLU A 893 2.165 10.354 19.547 1.00 37.15 N ATOM 3111 CA GLU A 893 2.267 10.723 20.966 1.00 38.61 C ATOM 3112 C GLU A 893 2.884 9.585 21.779 1.00 42.40 C ATOM 3113 O GLU A 893 3.583 9.853 22.761 1.00 42.07 O ATOM 3114 CB GLU A 893 0.901 11.134 21.546 1.00 41.01 C ATOM 3115 CG GLU A 893 0.376 12.475 21.048 1.00 52.92 C ATOM 3116 CD GLU A 893 1.196 13.707 21.397 1.00 81.21 C ATOM 3117 OE1 GLU A 893 1.534 13.891 22.590 1.00 92.39 O ATOM 3118 OE2 GLU A 893 1.492 14.499 20.474 1.00 71.79 O ATOM 3119 H GLU A 893 1.221 10.170 19.152 1.00 0.00 H ATOM 3120 N HIS A 894 2.654 8.325 21.357 1.00 38.96 N ATOM 3121 CA HIS A 894 3.214 7.140 22.015 1.00 39.70 C ATOM 3122 C HIS A 894 4.733 7.085 21.826 1.00 39.94 C ATOM 3123 O HIS A 894 5.449 6.724 22.764 1.00 40.57 O ATOM 3124 CB HIS A 894 2.577 5.851 21.485 1.00 40.97 C ATOM 3125 CG HIS A 894 2.333 4.793 22.520 1.00 46.54 C ATOM 3126 ND1 HIS A 894 1.067 4.246 22.663 1.00 49.24 N ATOM 3127 CD2 HIS A 894 3.152 4.231 23.448 1.00 49.93 C ATOM 3128 CE1 HIS A 894 1.153 3.371 23.652 1.00 49.86 C ATOM 3129 NE2 HIS A 894 2.380 3.327 24.164 1.00 50.57 N ATOM 3130 H HIS A 894 2.049 8.187 20.523 1.00 0.00 H ATOM 3131 N TRP A 895 5.229 7.464 20.626 1.00 33.29 N ATOM 3132 CA TRP A 895 6.665 7.497 20.345 1.00 31.50 C ATOM 3133 C TRP A 895 7.356 8.555 21.215 1.00 37.07 C ATOM 3134 O TRP A 895 8.433 8.288 21.739 1.00 36.80 O ATOM 3135 CB TRP A 895 6.946 7.744 18.850 1.00 28.22 C ATOM 3136 CG TRP A 895 6.812 6.516 17.988 1.00 27.37 C ATOM 3137 CD1 TRP A 895 5.838 6.260 17.076 1.00 29.56 C ATOM 3138 CD2 TRP A 895 7.685 5.380 17.972 1.00 26.29 C ATOM 3139 NE1 TRP A 895 6.048 5.033 16.487 1.00 27.81 N ATOM 3140 CE2 TRP A 895 7.181 4.475 17.012 1.00 28.59 C ATOM 3141 CE3 TRP A 895 8.842 5.031 18.685 1.00 27.40 C ATOM 3142 CZ2 TRP A 895 7.781 3.239 16.760 1.00 26.74 C ATOM 3143 CZ3 TRP A 895 9.454 3.817 18.411 1.00 27.76 C ATOM 3144 CH2 TRP A 895 8.932 2.943 17.449 1.00 27.22 C ATOM 3145 HE1 TRP A 895 5.443 4.600 15.760 1.00 0.00 H ATOM 3146 H TRP A 895 4.565 7.742 19.875 1.00 0.00 H ATOM 3147 N THR A 896 6.713 9.738 21.403 1.00 34.33 N ATOM 3148 CA THR A 896 7.222 10.827 22.255 1.00 35.42 C ATOM 3149 C THR A 896 7.302 10.310 23.705 1.00 38.54 C ATOM 3150 O THR A 896 8.307 10.525 24.378 1.00 36.41 O ATOM 3151 CB THR A 896 6.315 12.090 22.154 1.00 47.10 C ATOM 3152 OG1 THR A 896 6.154 12.528 20.801 1.00 47.54 O ATOM 3153 CG2 THR A 896 6.772 13.237 23.033 1.00 49.43 C ATOM 3154 HG1 THR A 896 5.738 11.805 20.268 1.00 0.00 H ATOM 3155 H THR A 896 5.806 9.883 20.915 1.00 0.00 H ATOM 3156 N LYS A 897 6.257 9.581 24.140 1.00 37.25 N ATOM 3157 CA LYS A 897 6.113 9.003 25.477 1.00 38.98 C ATOM 3158 C LYS A 897 7.186 7.953 25.796 1.00 43.62 C ATOM 3159 O LYS A 897 7.597 7.861 26.953 1.00 45.47 O ATOM 3160 CB LYS A 897 4.701 8.408 25.647 1.00 41.98 C ATOM 3161 CG LYS A 897 4.243 8.300 27.094 1.00 64.55 C ATOM 3162 CD LYS A 897 2.940 7.520 27.186 1.00 78.34 C ATOM 3163 CE LYS A 897 2.517 7.215 28.609 1.00 90.68 C ATOM 3164 NZ LYS A 897 1.978 8.407 29.322 1.00 99.53 N ATOM 3165 HZ1 LYS A 897 2.708 9.146 29.360 1.00 0.00 H ATOM 3166 HZ2 LYS A 897 1.145 8.766 28.813 1.00 0.00 H ATOM 3167 HZ3 LYS A 897 1.706 8.137 30.289 1.00 0.00 H ATOM 3168 H LYS A 897 5.483 9.414 23.466 1.00 0.00 H ATOM 3169 N VAL A 898 7.641 7.170 24.789 1.00 38.06 N ATOM 3170 CA VAL A 898 8.628 6.105 25.025 1.00 36.99 C ATOM 3171 C VAL A 898 10.071 6.502 24.674 1.00 37.04 C ATOM 3172 O VAL A 898 10.962 5.685 24.898 1.00 36.36 O ATOM 3173 CB VAL A 898 8.245 4.749 24.356 1.00 40.17 C ATOM 3174 CG1 VAL A 898 6.940 4.200 24.921 1.00 40.96 C ATOM 3175 CG2 VAL A 898 8.183 4.846 22.829 1.00 38.38 C ATOM 3176 H VAL A 898 7.284 7.326 23.825 1.00 0.00 H ATOM 3177 N SER A 899 10.316 7.722 24.139 1.00 32.41 N ATOM 3178 CA SER A 899 11.653 8.166 23.715 1.00 32.46 C ATOM 3179 C SER A 899 12.712 8.077 24.822 1.00 37.82 C ATOM 3180 O SER A 899 13.850 7.707 24.539 1.00 36.36 O ATOM 3181 CB SER A 899 11.609 9.574 23.135 1.00 35.77 C ATOM 3182 OG SER A 899 10.773 9.622 21.993 1.00 47.40 O ATOM 3183 HG SER A 899 9.855 9.352 22.246 1.00 0.00 H ATOM 3184 H SER A 899 9.518 8.379 24.022 1.00 0.00 H ATOM 3185 N HIS A 900 12.325 8.373 26.079 1.00 37.18 N ATOM 3186 CA HIS A 900 13.211 8.310 27.249 1.00 38.05 C ATOM 3187 C HIS A 900 13.822 6.914 27.468 1.00 40.93 C ATOM 3188 O HIS A 900 14.936 6.811 27.982 1.00 41.69 O ATOM 3189 CB HIS A 900 12.484 8.807 28.517 1.00 40.46 C ATOM 3190 CG HIS A 900 11.460 7.849 29.040 1.00 44.24 C ATOM 3191 ND1 HIS A 900 10.291 7.579 28.347 1.00 45.43 N ATOM 3192 CD2 HIS A 900 11.482 7.102 30.164 1.00 46.74 C ATOM 3193 CE1 HIS A 900 9.646 6.679 29.071 1.00 44.95 C ATOM 3194 NE2 HIS A 900 10.318 6.370 30.176 1.00 46.25 N ATOM 3195 H HIS A 900 11.338 8.664 26.230 1.00 0.00 H ATOM 3196 N LYS A 901 13.115 5.860 27.044 1.00 37.16 N ATOM 3197 CA LYS A 901 13.570 4.476 27.155 1.00 36.88 C ATOM 3198 C LYS A 901 14.775 4.161 26.241 1.00 40.40 C ATOM 3199 O LYS A 901 15.454 3.161 26.452 1.00 41.43 O ATOM 3200 CB LYS A 901 12.411 3.488 26.931 1.00 37.70 C ATOM 3201 CG LYS A 901 11.354 3.508 28.026 1.00 43.38 C ATOM 3202 CD LYS A 901 10.391 2.362 27.871 1.00 54.97 C ATOM 3203 CE LYS A 901 9.388 2.319 28.984 1.00 64.25 C ATOM 3204 NZ LYS A 901 8.444 1.214 28.763 1.00 69.94 N ATOM 3205 HZ1 LYS A 901 7.949 1.358 27.860 1.00 0.00 H ATOM 3206 HZ2 LYS A 901 8.965 0.315 28.735 1.00 0.00 H ATOM 3207 HZ3 LYS A 901 7.752 1.191 29.539 1.00 0.00 H ATOM 3208 H LYS A 901 12.187 6.036 26.610 1.00 0.00 H ATOM 3209 N PHE A 902 15.056 5.030 25.256 1.00 34.84 N ATOM 3210 CA PHE A 902 16.191 4.880 24.357 1.00 32.32 C ATOM 3211 C PHE A 902 17.498 5.386 25.016 1.00 35.13 C ATOM 3212 O PHE A 902 18.566 5.186 24.457 1.00 33.12 O ATOM 3213 CB PHE A 902 15.902 5.505 22.977 1.00 31.97 C ATOM 3214 CG PHE A 902 15.020 4.656 22.080 1.00 31.17 C ATOM 3215 CD1 PHE A 902 13.642 4.653 22.233 1.00 34.12 C ATOM 3216 CD2 PHE A 902 15.573 3.879 21.064 1.00 31.34 C ATOM 3217 CE1 PHE A 902 12.827 3.899 21.370 1.00 33.16 C ATOM 3218 CE2 PHE A 902 14.764 3.118 20.211 1.00 33.37 C ATOM 3219 CZ PHE A 902 13.397 3.128 20.372 1.00 31.50 C ATOM 3220 H PHE A 902 14.431 5.852 25.129 1.00 0.00 H ATOM 3221 N THR A 903 17.414 5.983 26.228 1.00 32.20 N ATOM 3222 CA THR A 903 18.571 6.416 27.016 1.00 34.08 C ATOM 3223 C THR A 903 18.789 5.385 28.137 1.00 38.72 C ATOM 3224 O THR A 903 17.862 5.072 28.892 1.00 38.32 O ATOM 3225 CB THR A 903 18.406 7.873 27.521 1.00 42.17 C ATOM 3226 OG1 THR A 903 18.398 8.743 26.392 1.00 41.01 O ATOM 3227 CG2 THR A 903 19.535 8.324 28.444 1.00 43.56 C ATOM 3228 HG1 THR A 903 17.644 8.503 25.797 1.00 0.00 H ATOM 3229 H THR A 903 16.467 6.145 26.626 1.00 0.00 H ATOM 3230 N ILE A 904 20.027 4.863 28.225 1.00 35.16 N ATOM 3231 CA ILE A 904 20.453 3.887 29.231 1.00 35.05 C ATOM 3232 C ILE A 904 20.651 4.591 30.578 1.00 40.82 C ATOM 3233 O ILE A 904 21.622 5.339 30.774 1.00 40.09 O ATOM 3234 CB ILE A 904 21.712 3.059 28.808 1.00 38.23 C ATOM 3235 CG1 ILE A 904 21.452 2.271 27.497 1.00 37.67 C ATOM 3236 CG2 ILE A 904 22.194 2.123 29.956 1.00 39.13 C ATOM 3237 CD1 ILE A 904 22.754 1.951 26.698 1.00 48.39 C ATOM 3238 H ILE A 904 20.732 5.176 27.528 1.00 0.00 H ATOM 3239 N ARG A 905 19.718 4.342 31.500 1.00 39.06 N ATOM 3240 CA ARG A 905 19.778 4.889 32.855 1.00 40.73 C ATOM 3241 C ARG A 905 20.229 3.781 33.800 1.00 45.33 C ATOM 3242 O ARG A 905 19.848 2.630 33.613 1.00 46.25 O ATOM 3243 CB ARG A 905 18.442 5.543 33.259 1.00 42.21 C ATOM 3244 CG ARG A 905 18.122 6.744 32.373 1.00 50.76 C ATOM 3245 CD ARG A 905 17.233 7.801 32.970 1.00 58.85 C ATOM 3246 NE ARG A 905 17.066 8.908 32.027 1.00 63.07 N ATOM 3247 CZ ARG A 905 17.854 9.977 31.972 1.00 79.62 C ATOM 3248 NH1 ARG A 905 18.842 10.129 32.846 1.00 69.25 N ATOM 3249 NH2 ARG A 905 17.639 10.919 31.064 1.00 65.64 N ATOM 3250 HE ARG A 905 16.276 8.854 31.353 1.00 0.00 H ATOM 3251 HH12 ARG A 905 19.455 10.968 32.797 1.00 0.00 H ATOM 3252 HH11 ARG A 905 19.003 9.409 33.579 1.00 0.00 H ATOM 3253 HH22 ARG A 905 18.258 11.754 31.024 1.00 0.00 H ATOM 3254 HH21 ARG A 905 16.852 10.823 30.392 1.00 0.00 H ATOM 3255 H ARG A 905 18.915 3.733 31.244 1.00 0.00 H ATOM 3256 N GLY A 906 21.087 4.122 34.753 1.00 41.90 N ATOM 3257 CA GLY A 906 21.716 3.165 35.656 1.00 41.31 C ATOM 3258 C GLY A 906 22.693 2.310 34.866 1.00 41.91 C ATOM 3259 O GLY A 906 23.301 2.795 33.907 1.00 38.51 O ATOM 3260 H GLY A 906 21.324 5.129 34.862 1.00 0.00 H ATOM 3261 N LEU A 907 22.801 1.021 35.216 1.00 39.84 N ATOM 3262 CA LEU A 907 23.657 0.074 34.499 1.00 39.51 C ATOM 3263 C LEU A 907 22.796 -0.850 33.628 1.00 46.32 C ATOM 3264 O LEU A 907 21.654 -1.120 34.007 1.00 46.66 O ATOM 3265 CB LEU A 907 24.452 -0.799 35.489 1.00 40.77 C ATOM 3266 CG LEU A 907 25.677 -0.187 36.155 1.00 45.30 C ATOM 3267 CD1 LEU A 907 26.032 -0.949 37.400 1.00 46.82 C ATOM 3268 CD2 LEU A 907 26.867 -0.182 35.218 1.00 46.24 C ATOM 3269 H LEU A 907 22.254 0.679 36.031 1.00 0.00 H ATOM 3270 N PRO A 908 23.333 -1.434 32.525 1.00 44.02 N ATOM 3271 CA PRO A 908 22.560 -2.442 31.782 1.00 43.77 C ATOM 3272 C PRO A 908 22.357 -3.716 32.630 1.00 51.31 C ATOM 3273 O PRO A 908 22.997 -3.854 33.681 1.00 53.08 O ATOM 3274 CB PRO A 908 23.422 -2.708 30.534 1.00 44.48 C ATOM 3275 CG PRO A 908 24.448 -1.619 30.505 1.00 48.86 C ATOM 3276 CD PRO A 908 24.678 -1.272 31.942 1.00 45.99 C ATOM 3277 N SER A 909 21.446 -4.627 32.195 1.00 49.58 N ATOM 3278 CA SER A 909 21.058 -5.870 32.888 1.00 50.77 C ATOM 3279 C SER A 909 22.218 -6.702 33.441 1.00 57.07 C ATOM 3280 O SER A 909 22.145 -7.159 34.587 1.00 57.90 O ATOM 3281 CB SER A 909 20.180 -6.733 31.990 1.00 54.08 C ATOM 3282 OG SER A 909 19.013 -6.031 31.591 1.00 64.71 O ATOM 3283 HG SER A 909 18.462 -6.613 31.010 1.00 0.00 H ATOM 3284 H SER A 909 20.978 -4.429 31.288 1.00 0.00 H ATOM 3285 N ASN A 910 23.293 -6.872 32.642 1.00 53.98 N ATOM 3286 CA ASN A 910 24.501 -7.627 33.022 1.00 54.74 C ATOM 3287 C ASN A 910 25.353 -6.935 34.080 1.00 58.23 C ATOM 3288 O ASN A 910 26.294 -7.551 34.590 1.00 60.19 O ATOM 3289 CB ASN A 910 25.357 -7.955 31.786 1.00 57.80 C ATOM 3290 CG ASN A 910 25.609 -6.805 30.824 1.00 80.89 C ATOM 3291 OD1 ASN A 910 25.562 -5.616 31.179 1.00 74.39 O ATOM 3292 ND2 ASN A 910 25.897 -7.143 29.574 1.00 70.53 N ATOM 3293 HD22 ASN A 910 25.930 -8.146 29.301 1.00 0.00 H ATOM 3294 HD21 ASN A 910 26.089 -6.405 28.867 1.00 0.00 H ATOM 3295 H ASN A 910 23.267 -6.442 31.696 1.00 0.00 H ATOM 3296 N ASN A 911 25.028 -5.661 34.406 1.00 52.02 N ATOM 3297 CA ASN A 911 25.720 -4.802 35.380 1.00 51.90 C ATOM 3298 C ASN A 911 27.118 -4.372 34.932 1.00 53.01 C ATOM 3299 O ASN A 911 27.880 -3.854 35.744 1.00 51.75 O ATOM 3300 CB ASN A 911 25.765 -5.421 36.794 1.00 54.29 C ATOM 3301 CG ASN A 911 24.497 -5.329 37.598 1.00 69.78 C ATOM 3302 OD1 ASN A 911 24.317 -6.068 38.559 1.00 68.35 O ATOM 3303 ND2 ASN A 911 23.602 -4.418 37.254 1.00 61.13 N ATOM 3304 HD22 ASN A 911 23.776 -3.802 36.435 1.00 0.00 H ATOM 3305 HD21 ASN A 911 22.724 -4.318 37.803 1.00 0.00 H ATOM 3306 H ASN A 911 24.207 -5.249 33.919 1.00 0.00 H ATOM 3307 N SER A 912 27.447 -4.535 33.648 1.00 48.83 N ATOM 3308 CA SER A 912 28.768 -4.137 33.174 1.00 49.31 C ATOM 3309 C SER A 912 28.715 -3.008 32.144 1.00 51.20 C ATOM 3310 O SER A 912 27.699 -2.805 31.493 1.00 48.09 O ATOM 3311 CB SER A 912 29.556 -5.343 32.665 1.00 53.26 C ATOM 3312 OG SER A 912 29.404 -5.543 31.271 1.00 58.75 O ATOM 3313 HG SER A 912 29.932 -6.333 30.993 1.00 0.00 H ATOM 3314 H SER A 912 26.760 -4.947 32.985 1.00 0.00 H ATOM 3315 N LEU A 913 29.816 -2.256 32.030 1.00 49.22 N ATOM 3316 CA LEU A 913 29.930 -1.159 31.079 1.00 47.78 C ATOM 3317 C LEU A 913 30.763 -1.596 29.872 1.00 54.70 C ATOM 3318 O LEU A 913 31.250 -0.742 29.127 1.00 53.54 O ATOM 3319 CB LEU A 913 30.548 0.084 31.753 1.00 47.93 C ATOM 3320 CG LEU A 913 29.705 0.809 32.803 1.00 51.51 C ATOM 3321 CD1 LEU A 913 30.545 1.830 33.547 1.00 52.08 C ATOM 3322 CD2 LEU A 913 28.474 1.473 32.181 1.00 50.81 C ATOM 3323 H LEU A 913 30.626 -2.464 32.648 1.00 0.00 H ATOM 3324 N ASP A 914 30.882 -2.932 29.651 1.00 54.37 N ATOM 3325 CA ASP A 914 31.647 -3.524 28.545 1.00 54.97 C ATOM 3326 C ASP A 914 31.303 -2.981 27.176 1.00 58.17 C ATOM 3327 O ASP A 914 32.197 -2.917 26.329 1.00 58.88 O ATOM 3328 CB ASP A 914 31.548 -5.057 28.532 1.00 57.55 C ATOM 3329 CG ASP A 914 32.185 -5.757 29.704 1.00 77.39 C ATOM 3330 OD1 ASP A 914 33.228 -5.266 30.202 1.00 80.86 O ATOM 3331 OD2 ASP A 914 31.669 -6.814 30.106 1.00 86.63 O ATOM 3332 H ASP A 914 30.400 -3.578 30.308 1.00 0.00 H ATOM 3333 N PHE A 915 30.028 -2.569 26.957 1.00 52.83 N ATOM 3334 CA PHE A 915 29.529 -2.021 25.694 1.00 50.01 C ATOM 3335 C PHE A 915 30.252 -0.719 25.276 1.00 53.48 C ATOM 3336 O PHE A 915 30.174 -0.329 24.115 1.00 54.04 O ATOM 3337 CB PHE A 915 27.991 -1.855 25.740 1.00 50.46 C ATOM 3338 CG PHE A 915 27.456 -0.647 26.477 1.00 51.44 C ATOM 3339 CD1 PHE A 915 27.360 -0.642 27.864 1.00 55.55 C ATOM 3340 CD2 PHE A 915 27.019 0.474 25.782 1.00 51.47 C ATOM 3341 CE1 PHE A 915 26.868 0.479 28.541 1.00 56.29 C ATOM 3342 CE2 PHE A 915 26.525 1.590 26.460 1.00 54.63 C ATOM 3343 CZ PHE A 915 26.452 1.587 27.833 1.00 53.99 C ATOM 3344 H PHE A 915 29.355 -2.649 27.746 1.00 0.00 H ATOM 3345 N LEU A 916 30.969 -0.072 26.210 1.00 49.72 N ATOM 3346 CA LEU A 916 31.712 1.161 25.957 1.00 60.23 C ATOM 3347 C LEU A 916 33.052 0.890 25.274 1.00 94.75 C ATOM 3348 O LEU A 916 33.581 1.761 24.587 1.00 58.79 O ATOM 3349 CB LEU A 916 31.918 1.956 27.260 1.00 61.49 C ATOM 3350 CG LEU A 916 30.655 2.471 27.958 1.00 65.63 C ATOM 3351 CD1 LEU A 916 30.988 3.050 29.315 1.00 67.44 C ATOM 3352 CD2 LEU A 916 29.933 3.512 27.099 1.00 66.61 C ATOM 3353 H LEU A 916 30.997 -0.472 27.170 1.00 0.00 H TER 3354 LEU A 916 HETATM 3355 ZN ZN A 1 4.098 -0.716 -0.186 1.00 19.14 ZN HETATM 3356 MG MG A 2 6.551 0.568 -2.809 1.00 11.77 MG HETATM 3357 O HOH 3 -0.465 1.558 14.033 1.00 38.51 O HETATM 3358 O HOH 4 -1.809 -3.347 9.033 1.00 17.32 O HETATM 3359 O HOH 5 17.378 -4.065 2.928 1.00 20.79 O HETATM 3360 O HOH 6 22.032 4.728 -2.347 1.00 28.67 O HETATM 3361 O HOH 7 -12.988 -29.786 -2.399 1.00 21.97 O HETATM 3362 O HOH 8 5.415 0.559 -4.561 1.00 13.36 O HETATM 3363 O HOH 9 11.175 -4.702 -14.938 1.00 24.18 O HETATM 3364 O HOH 10 16.206 8.932 24.896 1.00 40.42 O HETATM 3365 O HOH 11 -9.420 -24.609 1.046 1.00 34.73 O HETATM 3366 O HOH 12 -17.065 -15.737 -12.794 1.00 28.50 O HETATM 3367 O HOH 13 5.109 0.899 -1.544 1.00 13.53 O HETATM 3368 O HOH 14 -17.891 -16.660 -6.276 1.00 35.45 O HETATM 3369 O HOH 15 -19.130 3.173 -8.251 1.00 22.54 O HETATM 3370 O HOH 16 5.632 -14.674 -0.960 1.00 16.72 O HETATM 3371 O HOH 17 3.201 5.067 -0.632 1.00 17.55 O HETATM 3372 O HOH 18 14.740 4.477 -19.128 1.00 47.99 O HETATM 3373 O HOH 19 -14.552 0.168 11.038 1.00 28.53 O HETATM 3374 O HOH 20 -14.900 -11.316 -24.161 1.00 51.26 O HETATM 3375 O HOH 21 11.274 7.787 -3.885 1.00 50.57 O HETATM 3376 O HOH 22 -3.274 -31.099 -7.085 1.00 33.21 O HETATM 3377 O HOH 23 -2.555 -14.369 -3.011 1.00 20.55 O HETATM 3378 O HOH 24 6.310 -6.684 -18.114 1.00 28.27 O HETATM 3379 O HOH 25 -10.000 10.057 -13.920 1.00 25.18 O HETATM 3380 O HOH 26 1.753 0.364 6.130 1.00 29.24 O HETATM 3381 O HOH 27 -17.458 -1.382 -14.465 1.00 18.18 O HETATM 3382 O HOH 28 -17.909 -16.917 -0.883 1.00 36.70 O HETATM 3383 O HOH 29 5.706 8.133 -9.656 1.00 17.76 O HETATM 3384 O HOH 30 1.275 -2.675 5.276 1.00 49.27 O HETATM 3385 O HOH 31 -1.145 -7.084 -21.845 1.00 38.16 O HETATM 3386 O HOH 32 -15.327 -5.446 -20.825 1.00 29.31 O HETATM 3387 O HOH 33 -9.120 7.733 -12.887 1.00 26.25 O HETATM 3388 O HOH 34 9.668 -11.698 6.210 1.00 42.09 O HETATM 3389 O HOH 35 -6.653 20.009 -7.140 1.00 28.74 O HETATM 3390 O HOH 36 5.308 5.981 13.828 1.00 62.38 O HETATM 3391 O HOH 37 4.977 -12.975 -18.833 1.00 28.68 O HETATM 3392 O HOH 38 9.842 4.124 -3.139 1.00 42.46 O HETATM 3393 O HOH 39 15.175 7.400 30.594 1.00 46.70 O HETATM 3394 O HOH 40 32.907 4.320 -3.792 1.00 35.43 O HETATM 3395 O HOH 41 -2.474 17.965 11.984 1.00 52.97 O HETATM 3396 O HOH 42 -7.829 -26.218 -13.280 1.00 32.98 O HETATM 3397 O HOH 43 9.043 -9.824 8.061 1.00 25.10 O HETATM 3398 O HOH 44 -3.492 -2.547 6.764 1.00 19.93 O HETATM 3399 O HOH 45 -11.407 -14.573 -18.437 1.00 50.44 O HETATM 3400 O HOH 46 -5.954 6.244 -15.449 1.00 46.70 O HETATM 3401 O HOH 47 -13.688 1.681 -19.522 1.00 39.55 O HETATM 3402 O HOH 48 2.393 7.266 -1.996 1.00 28.97 O HETATM 3403 O HOH 49 5.421 -12.383 3.722 1.00 25.73 O HETATM 3404 O HOH 50 4.449 20.140 -6.900 1.00 66.66 O HETATM 3405 O HOH 51 1.273 17.130 10.957 1.00 31.01 O HETATM 3406 O HOH 52 -5.757 10.926 18.952 1.00 36.31 O HETATM 3407 O HOH 53 0.446 8.325 -10.806 1.00 29.17 O HETATM 3408 O HOH 54 23.514 -5.987 7.067 1.00 45.71 O HETATM 3409 O HOH 55 4.863 18.175 -0.486 1.00 26.57 O HETATM 3410 O HOH 56 -23.270 3.574 3.857 1.00 49.85 O HETATM 3411 O HOH 57 -21.738 -9.425 -14.617 1.00 29.34 O HETATM 3412 O HOH 58 -21.406 0.449 -11.677 1.00 39.09 O HETATM 3413 O HOH 59 -7.457 0.833 14.174 1.00 61.32 O HETATM 3414 O HOH 60 -15.536 -20.948 6.247 1.00 44.22 O HETATM 3415 O HOH 61 -13.584 18.120 1.243 1.00 40.52 O HETATM 3416 O HOH 62 7.306 -10.408 -8.942 1.00 21.37 O HETATM 3417 O HOH 63 -13.542 -22.248 -5.353 1.00 47.85 O HETATM 3418 O HOH 64 -13.351 -22.235 -16.183 1.00 38.05 O HETATM 3419 O HOH 65 -3.284 -7.530 16.676 1.00 38.35 O HETATM 3420 O HOH 66 -17.994 8.536 2.684 1.00 40.35 O HETATM 3421 O HOH 67 -6.154 -1.959 15.980 1.00 47.01 O HETATM 3422 O HOH 68 -8.316 1.054 -27.837 1.00 48.70 O HETATM 3423 O HOH 69 -14.585 15.481 7.786 1.00 45.22 O HETATM 3424 O HOH 70 21.224 -7.324 7.750 1.00 57.56 O HETATM 3425 O HOH 71 5.985 -11.068 -12.993 1.00 22.95 O HETATM 3426 O HOH 72 -2.225 23.368 -8.567 1.00 57.57 O HETATM 3427 O HOH 73 -1.208 3.184 -20.004 1.00 45.17 O HETATM 3428 O HOH 74 -6.676 -2.779 -25.169 1.00 48.55 O HETATM 3429 O HOH 75 -7.436 21.296 2.158 1.00 34.10 O HETATM 3430 O HOH 76 29.169 -2.406 5.470 1.00 31.46 O HETATM 3431 O HOH 77 26.844 -0.120 9.475 1.00 36.65 O HETATM 3432 O HOH 78 3.549 1.964 7.736 1.00 30.52 O HETATM 3433 O HOH 79 9.555 -6.860 -15.254 1.00 29.96 O HETATM 3434 O HOH 80 4.519 -14.365 7.528 1.00 38.53 O HETATM 3435 O HOH 81 11.578 9.962 9.259 1.00 34.47 O HETATM 3436 O HOH 82 13.431 -0.570 1.280 1.00 25.62 O HETATM 3437 O HOH 83 0.596 -13.841 10.113 1.00 31.84 O HETATM 3438 O HOH 84 -5.127 -23.237 -0.962 1.00 22.85 O HETATM 3439 O HOH 85 2.010 -18.673 -4.156 1.00 32.83 O HETATM 3440 O HOH 86 6.805 -12.548 0.591 1.00 10.85 O HETATM 3441 O HOH 87 -11.817 -19.397 9.584 1.00 47.13 O HETATM 3442 O HOH 88 1.690 13.642 3.504 1.00 23.52 O HETATM 3443 O HOH 89 -22.355 -0.079 -8.536 1.00 52.75 O HETATM 3444 O HOH 90 8.721 15.088 -4.677 1.00 25.21 O HETATM 3445 O HOH 91 -8.632 -17.221 4.905 1.00 26.15 O HETATM 3446 O HOH 92 -19.522 -14.920 -11.933 1.00 54.20 O HETATM 3447 O HOH 93 21.041 6.314 2.057 1.00 53.40 O HETATM 3448 O HOH 94 -9.836 2.738 -22.743 1.00 33.03 O HETATM 3449 O HOH 95 -6.848 -17.837 -18.231 1.00 45.54 O HETATM 3450 O HOH 96 5.297 -14.729 -9.571 1.00 20.41 O HETATM 3451 O HOH 97 -9.529 -21.348 -17.051 1.00 43.19 O HETATM 3452 O HOH 98 6.061 2.318 12.363 1.00 19.52 O HETATM 3453 O HOH 99 18.621 -4.773 -3.334 1.00 28.69 O HETATM 3454 O HOH 100 -1.104 -8.247 14.214 1.00 27.93 O HETATM 3455 O HOH 101 5.714 -6.860 6.115 1.00 18.78 O HETATM 3456 O HOH 102 8.354 0.426 -4.014 1.00 13.92 O HETATM 3457 O HOH 103 0.234 -15.528 -22.322 1.00 55.13 O HETATM 3458 O HOH 104 19.378 -4.924 9.330 1.00 20.99 O HETATM 3459 O HOH 105 0.836 9.726 -4.969 1.00 15.38 O HETATM 3460 O HOH 106 27.705 -0.816 12.124 1.00 51.68 O HETATM 3461 O HOH 107 21.952 -3.342 -6.814 1.00 35.01 O HETATM 3462 O HOH 108 -2.390 1.704 20.839 1.00 36.23 O HETATM 3463 O HOH 109 -1.824 -3.045 17.099 1.00 17.48 O HETATM 3464 O HOH 110 23.415 0.732 8.595 1.00 19.46 O HETATM 3465 O HOH 111 -5.855 -21.003 10.389 1.00 33.81 O HETATM 3466 O HOH 112 5.890 0.448 1.149 1.00 15.73 O HETATM 3467 O HOH 113 27.443 4.645 -6.071 1.00 39.34 O HETATM 3468 O HOH 114 2.790 16.060 3.932 1.00 39.22 O HETATM 3469 O HOH 115 -14.574 -29.992 -7.939 1.00 21.52 O HETATM 3470 O HOH 116 9.499 -13.630 -5.495 1.00 22.76 O HETATM 3471 O HOH 117 -17.930 1.355 -1.213 1.00 30.97 O HETATM 3472 O HOH 118 -18.401 -11.762 -6.943 1.00 16.59 O HETATM 3473 O HOH 119 6.761 2.649 -3.057 1.00 15.09 O HETATM 3474 O HOH 120 9.398 -8.507 -2.372 1.00 13.43 O HETATM 3475 O HOH 121 23.419 -2.920 39.589 1.00 32.30 O HETATM 3476 O HOH 122 36.048 10.309 6.546 1.00 53.73 O HETATM 3477 O HOH 123 -0.786 10.311 -2.923 1.00 18.76 O HETATM 3478 O HOH 124 24.986 3.257 -2.263 1.00 42.21 O HETATM 3479 O HOH 125 -9.555 -14.973 13.383 1.00 47.91 O HETATM 3480 O HOH 126 6.949 -16.377 4.357 1.00 38.38 O HETATM 3481 O HOH 127 4.208 -18.495 -0.979 1.00 51.81 O HETATM 3482 O HOH 128 -6.198 -2.953 7.250 1.00 17.90 O HETATM 3483 O HOH 129 -7.170 0.805 10.038 1.00 21.48 O HETATM 3484 O HOH 130 -16.467 -9.796 10.129 1.00 41.43 O HETATM 3485 O HOH 131 -15.254 -19.300 -13.008 1.00 27.10 O HETATM 3486 O HOH 132 18.092 9.941 13.675 1.00 31.12 O HETATM 3487 O HOH 133 21.119 7.706 -5.760 1.00 31.24 O HETATM 3488 O HOH 134 -5.071 -19.423 1.425 1.00 20.62 O HETATM 3489 O HOH 135 4.764 1.690 3.270 1.00 20.10 O HETATM 3490 O HOH 136 -21.237 -10.689 -6.443 1.00 35.08 O HETATM 3491 O HOH 137 0.599 19.627 -6.143 1.00 32.58 O HETATM 3492 O HOH 138 -4.765 22.005 -7.840 1.00 50.77 O HETATM 3493 O HOH 139 21.478 -2.948 36.155 1.00 31.00 O HETATM 3494 O HOH 140 14.336 -3.155 -4.247 1.00 15.76 O HETATM 3495 O HOH 141 -0.345 -5.820 13.007 1.00 17.68 O HETATM 3496 O HOH 142 12.837 -14.163 -0.862 1.00 21.57 O HETATM 3497 O HOH 143 7.078 -6.062 18.077 1.00 46.07 O HETATM 3498 O HOH 144 -6.453 -31.655 -1.786 1.00 40.77 O HETATM 3499 O HOH 145 19.132 -4.418 11.981 1.00 36.31 O HETATM 3500 O HOH 146 -20.797 -6.796 5.426 1.00 43.25 O HETATM 3501 O HOH 147 -5.375 -28.792 -10.076 1.00 23.65 O HETATM 3502 O HOH 148 17.384 -7.385 6.119 1.00 42.63 O HETATM 3503 O HOH 149 24.795 4.820 -14.594 1.00 53.05 O HETATM 3504 O HOH 150 4.396 -16.328 0.790 1.00 28.74 O HETATM 3505 O HOH 151 8.579 9.460 -11.527 1.00 38.10 O HETATM 3506 O HOH 152 10.224 -12.195 -11.715 1.00 32.89 O HETATM 3507 O HOH 153 -2.403 -18.104 1.561 1.00 24.63 O HETATM 3508 O HOH 154 15.853 -0.103 2.383 1.00 26.61 O HETATM 3509 O HOH 155 12.471 7.298 8.867 1.00 29.00 O HETATM 3510 O HOH 156 23.788 5.439 32.951 1.00 31.31 O HETATM 3511 O HOH 157 -10.876 -14.106 -15.810 1.00 28.47 O HETATM 3512 O HOH 158 23.380 -2.330 -14.812 1.00 29.03 O HETATM 3513 O HOH 159 21.128 -1.821 14.601 1.00 27.82 O HETATM 3514 O HOH 160 9.072 -11.009 -14.680 1.00 38.34 O HETATM 3515 O HOH 161 6.640 8.859 -13.431 1.00 44.75 O HETATM 3516 O HOH 162 -0.838 0.787 -18.784 1.00 30.13 O HETATM 3517 O HOH 163 7.913 0.781 -1.216 1.00 12.66 O HETATM 3518 O HOH 164 10.607 1.305 -1.786 1.00 15.96 O HETATM 3519 O HOH 165 16.166 -7.920 0.775 1.00 34.60 O HETATM 3520 O HOH 166 14.245 -14.552 4.341 1.00 41.01 O HETATM 3521 O HOH 167 2.048 -16.211 9.124 1.00 29.28 O HETATM 3522 O HOH 168 3.080 -18.168 -20.391 1.00 28.98 O HETATM 3523 O HOH 169 -2.197 14.851 -10.856 1.00 55.65 O HETATM 3524 O HOH 170 -5.136 -15.995 -19.267 1.00 32.01 O HETATM 3525 O HOH 171 -9.896 -7.492 15.950 1.00 43.56 O HETATM 3526 O HOH 172 -2.562 -12.246 -22.074 1.00 41.20 O HETATM 3527 O HOH 173 9.957 10.048 26.715 1.00 39.59 O HETATM 3528 O HOH 174 16.080 7.755 -11.254 1.00 41.41 O HETATM 3529 O HOH 175 -16.330 -7.159 10.733 1.00 36.42 O HETATM 3530 O HOH 176 2.744 19.543 -3.382 1.00 26.74 O HETATM 3531 O HOH 177 15.842 -7.626 -12.462 1.00 42.58 O HETATM 3532 O HOH 178 -10.622 -5.057 -30.591 1.00 49.95 O HETATM 3533 O HOH 179 3.485 -9.465 9.648 1.00 48.13 O HETATM 3534 O HOH 180 -3.340 17.567 5.697 1.00 28.37 O HETATM 3535 O HOH 181 15.693 9.739 29.221 1.00 48.87 O HETATM 3536 O HOH 182 -19.965 18.732 -11.818 1.00 41.17 O HETATM 3537 O HOH 183 0.814 -19.648 7.783 1.00 25.02 O HETATM 3538 O HOH 184 -19.141 15.065 -5.945 1.00 45.12 O HETATM 3539 O HOH 185 -3.372 23.842 -2.052 1.00 39.11 O HETATM 3540 O HOH 186 -12.436 8.913 -14.057 1.00 33.09 O HETATM 3541 O HOH 187 6.010 -1.377 23.888 1.00 46.15 O HETATM 3542 O HOH 188 23.317 -5.785 4.370 1.00 27.21 O HETATM 3543 O HOH 189 -1.848 -14.435 -20.603 1.00 29.15 O HETATM 3544 O HOH 190 -9.492 -17.069 -20.066 1.00 48.21 O HETATM 3545 O HOH 191 -9.370 21.201 -7.575 1.00 34.41 O HETATM 3546 O HOH 192 30.189 5.456 4.850 1.00 73.76 O HETATM 3547 O HOH 193 11.070 14.326 15.279 1.00 36.90 O HETATM 3548 O HOH 194 -19.442 1.663 2.692 1.00 40.05 O HETATM 3549 O HOH 195 -1.911 -5.521 10.529 1.00 14.26 O HETATM 3550 O HOH 196 17.614 10.965 23.727 1.00 54.36 O HETATM 3551 O HOH 197 22.016 1.376 -13.851 1.00 28.17 O HETATM 3552 O HOH 198 2.471 -6.132 16.210 1.00 41.17 O HETATM 3553 O HOH 199 -2.756 12.348 -11.775 1.00 54.02 O HETATM 3554 O HOH 200 -8.060 -28.609 -11.487 1.00 33.25 O HETATM 3555 O HOH 201 -16.964 -13.733 0.551 1.00 25.81 O HETATM 3556 O HOH 202 8.472 -10.989 12.125 1.00 51.93 O HETATM 3557 O HOH 203 17.173 4.517 -17.898 1.00 40.10 O HETATM 3558 O HOH 204 9.665 -3.779 -18.886 1.00 36.43 O HETATM 3559 O HOH 205 -20.584 -5.274 -1.429 1.00 42.96 O HETATM 3560 O HOH 206 -13.151 16.341 -16.068 1.00 29.66 O HETATM 3561 O HOH 207 16.069 7.785 -0.500 1.00 35.78 O HETATM 3562 O HOH 208 -4.016 -20.779 -0.705 1.00 27.88 O HETATM 3563 O HOH 209 28.496 5.498 10.404 1.00 42.55 O HETATM 3564 O HOH 210 -5.518 19.045 4.974 1.00 48.81 O HETATM 3565 O HOH 211 -19.678 5.690 -11.740 1.00 50.99 O HETATM 3566 O HOH 212 20.491 -8.472 5.376 1.00 53.20 O HETATM 3567 O HOH 213 20.414 12.275 6.454 1.00 33.31 O HETATM 3568 O HOH 214 4.950 -8.503 -19.902 1.00 25.00 O HETATM 3569 O HOH 215 -21.379 4.431 -9.085 1.00 45.16 O HETATM 3570 O HOH 216 -19.305 3.069 8.013 1.00 51.03 O HETATM 3571 O HOH 217 18.508 6.158 0.725 1.00 35.90 O HETATM 3572 O HOH 218 18.277 -4.885 -10.531 1.00 43.97 O HETATM 3573 O HOH 219 -19.190 2.498 -12.282 1.00 20.95 O HETATM 3574 O HOH 220 -15.162 16.652 -0.362 1.00 30.73 O HETATM 3575 O HOH 221 -16.891 1.199 -13.890 1.00 19.99 O HETATM 3576 O HOH 222 -19.882 -2.152 -13.395 1.00 14.17 O HETATM 3577 O HOH 223 17.790 10.518 6.973 1.00 39.24 O HETATM 3578 O HOH 224 -4.455 8.030 -10.555 1.00 18.81 O HETATM 3579 O HOH 225 17.776 1.985 31.080 1.00 33.96 O HETATM 3580 O HOH 226 -16.231 -4.846 -18.308 1.00 47.93 O HETATM 3581 O HOH 227 -13.106 -5.320 -27.831 1.00 38.62 O HETATM 3582 O HOH 228 21.238 -5.345 -10.674 1.00 34.83 O HETATM 3583 O HOH 229 17.749 -10.143 -8.095 1.00 20.53 O HETATM 3584 O HOH 230 14.860 6.535 -2.620 1.00 27.08 O HETATM 3585 O HOH 231 28.759 -6.729 28.409 1.00 41.53 O HETATM 3586 O HOH 232 8.369 5.711 -1.466 1.00 18.82 O HETATM 3587 O HOH 233 -7.287 -7.510 15.172 1.00 40.00 O HETATM 3588 O HOH 234 -17.329 9.405 5.186 1.00 32.47 O HETATM 3589 O HOH 235 13.857 6.682 -9.142 1.00 20.27 O HETATM 3590 O HOH 236 3.269 -18.542 3.210 1.00 44.90 O HETATM 3591 O HOH 237 -6.919 7.331 18.763 1.00 47.81 O HETATM 3592 O HOH 238 -21.071 -14.506 -1.355 1.00 38.51 O HETATM 3593 O HOH 239 25.972 -3.081 -11.153 1.00 40.05 O HETATM 3594 O HOH 240 4.872 3.942 1.400 1.00 35.38 O HETATM 3595 O HOH 241 12.149 8.515 -7.959 1.00 37.63 O HETATM 3596 O HOH 242 27.359 -3.388 -1.587 1.00 44.06 O HETATM 3597 O HOH 243 12.336 5.088 -2.868 1.00 31.82 O HETATM 3598 O HOH 244 -7.503 -23.969 -16.302 1.00 48.14 O HETATM 3599 O HOH 245 -9.477 28.354 -3.826 1.00 47.69 O HETATM 3600 O HOH 246 20.141 12.879 30.835 1.00 52.45 O HETATM 3601 O HOH 247 -5.274 19.222 -10.188 1.00 41.68 O HETATM 3602 O HOH 248 -0.065 -19.895 -10.230 1.00 36.49 O HETATM 3603 O HOH 249 -23.135 -7.654 -12.890 1.00 39.39 O HETATM 3604 O HOH 250 -15.711 21.229 -6.870 1.00 41.77 O HETATM 3605 O HOH 251 -1.856 -1.679 20.594 1.00 33.92 O HETATM 3606 O HOH 252 -14.509 -16.037 12.636 1.00 40.03 O HETATM 3607 O HOH 253 -11.925 -9.853 -25.443 1.00 56.14 O HETATM 3608 O HOH 254 -1.488 -17.054 -23.775 1.00 48.27 O HETATM 3609 O HOH 255 -15.522 -17.984 -16.345 1.00 45.19 O HETATM 3610 O HOH 256 -16.001 4.415 10.183 1.00 51.63 O HETATM 3611 O HOH 257 -1.344 16.512 9.984 1.00 40.04 O HETATM 3612 O HOH 258 6.327 16.997 3.924 1.00 38.97 O HETATM 3613 O HOH 259 12.965 4.327 1.296 1.00 23.99 O HETATM 3614 O HOH 260 8.756 14.802 -11.530 1.00 56.49 O HETATM 3615 O HOH 261 -15.467 11.783 -13.890 1.00 41.04 O HETATM 3616 O HOH 262 12.636 -9.811 9.171 1.00 39.23 O HETATM 3617 O HOH 263 -4.251 15.327 16.505 1.00 63.72 O HETATM 3618 O HOH 264 -0.722 14.627 18.010 1.00 52.58 O HETATM 3619 O HOH 265 -20.688 -3.160 1.489 1.00 48.22 O HETATM 3620 O HOH 266 -16.696 15.773 3.582 1.00 51.31 O HETATM 3621 O HOH 267 -3.107 -21.515 8.994 1.00 56.31 O HETATM 3622 O HOH 268 -2.145 9.519 -11.439 1.00 26.95 O HETATM 3623 O HOH 269 -21.230 0.822 -0.931 1.00 43.48 O HETATM 3624 O HOH 270 -9.187 20.327 -11.896 1.00 42.36 O HETATM 3625 O HOH 271 -13.482 -2.155 -27.279 1.00 43.25 O HETATM 3626 O HOH 272 2.541 -12.023 9.506 1.00 35.74 O HETATM 3627 O HOH 273 2.070 9.289 -12.759 1.00 49.77 O HETATM 3628 O HOH 274 -6.282 7.317 -12.420 1.00 21.60 O HETATM 3629 O HOH 275 -5.439 0.836 19.346 1.00 57.44 O HETATM 3630 O HOH 276 -6.434 -5.699 17.218 1.00 44.58 O HETATM 3631 O HOH 277 6.826 3.737 -0.399 1.00 38.70 O HETATM 3632 O HOH 278 30.438 3.545 10.369 1.00 45.36 O HETATM 3633 O HOH 279 11.015 18.473 11.836 1.00 73.32 O HETATM 3634 O HOH 280 -1.762 9.353 -18.159 1.00 48.37 O HETATM 3635 O HOH 281 -12.694 8.124 -17.558 1.00 57.57 O HETATM 3636 O HOH 282 -19.649 19.087 -7.404 1.00 52.10 O HETATM 3637 O HOH 283 1.832 17.447 13.630 1.00 39.59 O HETATM 3638 O HOH 284 13.616 11.777 9.099 1.00 57.34 O HETATM 3639 O HOH 285 -6.951 0.492 16.836 1.00 47.01 O HETATM 3640 O HOH 286 15.140 8.507 -4.474 1.00 36.78 O HETATM 3641 O HOH 287 28.492 4.264 -15.390 1.00 41.22 O HETATM 3642 O HOH 288 5.873 -9.917 7.992 1.00 34.86 O HETATM 3643 O HOH 289 31.775 -1.698 4.926 1.00 40.66 O HETATM 3644 O HOH 290 1.194 -13.068 13.682 1.00 45.41 O HETATM 3645 O HOH 291 13.703 6.846 2.051 1.00 49.40 O HETATM 3646 O HOH 292 13.376 8.979 32.001 1.00 48.80 O HETATM 3647 O HOH 293 -14.705 18.903 -14.730 1.00 64.88 O HETATM 3648 O HOH 294 14.155 13.066 11.803 1.00 38.52 O HETATM 3649 O HOH 295 -6.673 -21.338 2.507 1.00 43.59 O HETATM 3650 O HOH 296 -24.191 4.532 7.296 1.00 83.93 O HETATM 3651 O HOH 297 -16.303 -7.554 -18.228 1.00 52.06 O HETATM 3652 O HOH 298 -19.900 -13.799 2.885 1.00 41.57 O HETATM 3653 O HOH 299 2.471 -14.609 -24.281 1.00 71.39 O HETATM 3654 O HOH 300 5.983 -12.138 6.375 1.00 29.83 O HETATM 3655 O HOH 301 6.037 -13.656 -13.986 1.00 44.65 O HETATM 3656 O HOH 302 29.037 6.689 7.006 1.00 48.01 O HETATM 3657 O HOH 303 -23.008 -4.338 2.376 1.00 57.47 O HETATM 3658 O HOH 304 28.845 -1.623 8.449 1.00 34.41 O HETATM 3659 O HOH 305 4.595 9.458 -11.727 1.00 25.04 O HETATM 3660 O HOH 306 18.629 -5.111 -6.020 1.00 37.10 O HETATM 3661 O HOH 307 13.573 -6.599 -15.072 1.00 49.52 O HETATM 3662 O HOH 308 16.125 -10.271 5.357 1.00 49.12 O HETATM 3663 O HOH 309 -7.346 -23.063 0.480 1.00 29.43 O HETATM 3664 O HOH 310 2.103 -20.147 -8.624 1.00 34.69 O HETATM 3665 O HOH 311 10.169 16.372 -9.786 1.00 46.69 O HETATM 3666 O HOH 312 8.385 17.695 -3.948 1.00 43.21 O HETATM 3667 O HOH 313 8.725 -7.892 -17.985 1.00 35.09 O HETATM 3668 O HOH 314 -10.092 -20.293 -19.605 1.00 40.10 O HETATM 3669 O HOH 315 -9.412 -17.986 7.658 1.00 35.89 O HETATM 3670 O HOH 316 16.454 -6.571 3.182 1.00 27.24 O HETATM 3671 O HOH 317 2.465 -6.350 13.309 1.00 32.39 O HETATM 3672 O HOH 318 23.408 8.620 -6.923 1.00 52.54 O HETATM 3673 O HOH 319 12.063 1.617 0.715 1.00 19.38 O HETATM 3674 O HOH 320 19.029 8.955 -7.008 1.00 41.24 O HETATM 3675 O HOH 321 3.790 20.992 -0.876 1.00 48.69 O HETATM 3676 O HOH 322 4.143 17.915 2.508 1.00 33.81 O HETATM 3677 O HOH 323 -1.839 18.446 7.773 1.00 26.77 O HETATM 3678 O HOH 324 -6.934 31.131 -4.576 1.00 54.66 O HETATM 3679 O HOH 325 3.406 -8.653 12.292 1.00 30.60 O HETATM 3680 O HOH 326 5.992 -10.963 -20.331 1.00 31.69 O HETATM 3681 O HOH 327 -18.234 -17.129 -15.813 1.00 65.79 O HETATM 3682 O HOH 328 7.378 19.626 -5.547 1.00 54.58 O HETATM 3683 O HOH 329 -21.457 -16.924 2.453 1.00 30.45 O HETATM 3684 O HOH 330 6.479 21.795 -2.661 1.00 42.88 O HETATM 3685 O HOH 331 9.042 -10.766 -17.630 1.00 58.67 O HETATM 3686 O HOH 332 11.227 13.631 -2.332 1.00 59.72 O HETATM 3687 O HOH 333 3.291 20.468 2.837 1.00 50.73 O HETATM 3688 O HOH 334 -3.787 20.281 9.087 1.00 46.50 O HETATM 3689 O HOH 335 21.067 11.152 -8.399 1.00 67.46 O HETATM 3690 O HOH 336 23.949 11.288 -6.699 1.00 61.15 O HETATM 3691 O HOH 337 10.336 16.905 1.344 1.00 28.44 O HETATM 3692 O HOH 338 12.014 16.553 -1.033 1.00 47.22 O HETATM 3693 N3 UNN A 339 7.525 4.378 6.321 1.00 -0.13 N HETATM 3694 C7 UNN A 339 8.622 5.047 6.848 1.00 0.27 C HETATM 3695 C8 UNN A 339 8.749 5.078 8.249 1.00 0.06 C HETATM 3696 N4 UNN A 339 7.851 4.494 9.105 1.00 -0.31 N HETATM 3697 C9 UNN A 339 6.803 3.892 8.610 1.00 0.05 C HETATM 3698 C6 UNN A 339 6.587 3.815 7.197 1.00 0.18 C HETATM 3699 N2 UNN A 339 5.622 3.240 6.509 1.00 -0.28 N HETATM 3700 N1 UNN A 339 5.917 3.408 5.158 1.00 -0.27 N HETATM 3701 C5 UNN A 339 7.044 4.067 5.065 1.00 0.16 C HETATM 3702 C4 UNN A 339 7.789 4.356 3.798 1.00 0.03 C HETATM 3703 C2 UNN A 339 8.972 3.429 3.529 1.00 -0.03 C HETATM 3704 C1 UNN A 339 8.519 1.998 3.349 1.00 -0.06 C HETATM 3705 H10 UNN A 339 9.393 1.358 3.157 1.00 0.02 H HETATM 3706 H11 UNN A 339 7.826 1.937 2.497 1.00 0.02 H HETATM 3707 H12 UNN A 339 8.008 1.657 4.262 1.00 0.02 H HETATM 3708 C3 UNN A 339 9.735 3.890 2.310 1.00 -0.06 C HETATM 3709 H14 UNN A 339 10.059 4.931 2.453 1.00 0.02 H HETATM 3710 H15 UNN A 339 9.085 3.826 1.425 1.00 0.02 H HETATM 3711 H16 UNN A 339 10.617 3.248 2.165 1.00 0.02 H HETATM 3712 H13 UNN A 339 9.646 3.471 4.397 1.00 0.03 H HETATM 3713 H1 UNN A 339 7.085 4.266 2.958 1.00 0.05 H HETATM 3714 H2 UNN A 339 8.167 5.388 3.850 1.00 0.05 H HETATM 3715 H3 UNN A 339 6.079 3.439 9.286 1.00 0.09 H HETATM 3716 H5 UNN A 339 9.607 5.594 8.677 1.00 0.06 H HETATM 3717 O1 UNN A 339 9.418 5.611 5.913 1.00 -0.27 O HETATM 3718 C10 UNN A 339 10.461 6.510 6.381 1.00 0.09 C HETATM 3719 C11 UNN A 339 11.207 7.062 5.187 1.00 0.01 C HETATM 3720 C12 UNN A 339 10.453 8.084 4.355 1.00 -0.01 C HETATM 3721 C13 UNN A 339 10.053 7.749 3.064 1.00 -0.07 C HETATM 3722 C14 UNN A 339 9.519 8.700 2.211 1.00 -0.08 C HETATM 3723 C15 UNN A 339 9.332 9.993 2.647 1.00 -0.08 C HETATM 3724 C16 UNN A 339 9.692 10.350 3.935 1.00 -0.04 C HETATM 3725 C17 UNN A 339 10.275 9.406 4.778 1.00 0.09 C HETATM 3726 O2 UNN A 339 10.775 9.700 6.019 1.00 -0.33 O HETATM 3727 C18 UNN A 339 10.809 11.073 6.422 1.00 0.06 C HETATM 3728 H6 UNN A 339 11.233 11.148 7.434 1.00 0.06 H HETATM 3729 H7 UNN A 339 9.787 11.481 6.422 1.00 0.06 H HETATM 3730 H8 UNN A 339 11.432 11.646 5.720 1.00 0.06 H HETATM 3731 H9 UNN A 339 9.521 11.361 4.287 1.00 0.05 H HETATM 3732 H22 UNN A 339 8.902 10.732 1.981 1.00 0.05 H HETATM 3733 H21 UNN A 339 9.248 8.426 1.198 1.00 0.05 H HETATM 3734 H4 UNN A 339 10.162 6.726 2.721 1.00 0.05 H HETATM 3735 H19 UNN A 339 11.467 6.218 4.531 1.00 0.04 H HETATM 3736 H20 UNN A 339 12.128 7.538 5.554 1.00 0.04 H HETATM 3737 H17 UNN A 339 11.159 5.960 7.030 1.00 0.07 H HETATM 3738 H18 UNN A 339 10.008 7.337 6.948 1.00 0.07 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 801 799 800 3355 CONECT 1151 1149 1150 3355 CONECT 1159 1158 3356 CONECT 1160 1158 3355 CONECT 2259 2258 3355 CONECT 3355 801 1151 1160 2259 CONECT 3356 1159 CONECT 3693 3694 3698 3701 CONECT 3694 3693 3695 3717 CONECT 3695 3694 3696 3716 CONECT 3696 3695 3697 CONECT 3697 3696 3698 3715 CONECT 3698 3693 3697 3699 CONECT 3699 3698 3700 CONECT 3700 3699 3701 CONECT 3701 3693 3700 3702 CONECT 3702 3701 3703 3713 3714 CONECT 3703 3702 3704 3708 3712 CONECT 3704 3703 3705 3706 3707 CONECT 3705 3704 CONECT 3706 3704 CONECT 3707 3704 CONECT 3708 3703 3709 3710 3711 CONECT 3709 3708 CONECT 3710 3708 CONECT 3711 3708 CONECT 3712 3703 CONECT 3713 3702 CONECT 3714 3702 CONECT 3715 3697 CONECT 3716 3695 CONECT 3717 3694 3718 CONECT 3718 3717 3719 3737 3738 CONECT 3719 3718 3720 3735 3736 CONECT 3720 3719 3721 3725 CONECT 3721 3720 3722 3734 CONECT 3722 3721 3723 3733 CONECT 3723 3722 3724 3732 CONECT 3724 3723 3725 3731 CONECT 3725 3720 3724 3726 CONECT 3726 3725 3727 CONECT 3727 3726 3728 3729 3730 CONECT 3728 3727 CONECT 3729 3727 CONECT 3730 3727 CONECT 3731 3724 CONECT 3732 3723 CONECT 3733 3722 CONECT 3734 3721 CONECT 3735 3719 CONECT 3736 3719 CONECT 3737 3718 CONECT 3738 3718 MASTER 0 0 0 0 0 0 0 0 3737 1 57 26 END
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Structure:
Ligand 2D
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Protein
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Related entries of code: 5u7j
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
3itu
RCSB PDB
PDBbind
345aa, >3ITU_1|Chains... at 98%
4d08
RCSB PDB
PDBbind
353aa, >4D08_1|Chains... at 96%
4d09
RCSB PDB
PDBbind
353aa, >4D09_1|Chains... at 96%
4htx
RCSB PDB
PDBbind
342aa, >4HTX_1|Chains... at 100%
4jib
RCSB PDB
PDBbind
345aa, >4JIB_1|Chains... at 98%
5tz3
RCSB PDB
PDBbind
344aa, >5TZ3_1|Chains... at 99%
5tza
RCSB PDB
PDBbind
344aa, >5TZA_1|Chains... at 99%
5tzc
RCSB PDB
PDBbind
344aa, >5TZC_1|Chains... at 99%
5tzh
RCSB PDB
PDBbind
344aa, >5TZH_1|Chains... at 99%
5tzw
RCSB PDB
PDBbind
344aa, >5TZW_1|Chains... at 99%
5tzx
RCSB PDB
PDBbind
344aa, >5TZX_1|Chains... at 99%
5tzz
RCSB PDB
PDBbind
344aa, >5TZZ_1|Chains... at 99%
5u00
RCSB PDB
PDBbind
344aa, >5U00_1|Chains... at 99%
5u7d
RCSB PDB
PDBbind
345aa, >5U7D_1|Chains... at 98%
5u7i
RCSB PDB
PDBbind
345aa, >5U7I_1|Chains... at 98%
5u7k
RCSB PDB
PDBbind
345aa, >5U7K_1|Chains... at 98%
5u7l
RCSB PDB
PDBbind
345aa, >5U7L_1|Chains... at 98%
5vp0
RCSB PDB
PDBbind
345aa, >5VP0_1|Chains... at 99%
5vp1
RCSB PDB
PDBbind
345aa, >5VP1_1|Chains... at 99%
5xkm
RCSB PDB
PDBbind
345aa, >5XKM_1|Chains... at 99%
6b96
RCSB PDB
PDBbind
373aa, >6B96_1|Chains... *
6b97
RCSB PDB
PDBbind
373aa, >6B97_1|Chains... at 100%
6b98
RCSB PDB
PDBbind
373aa, >6B98_1|Chains... at 100%
6c7d
RCSB PDB
PDBbind
342aa, >6C7D_1|Chains... at 99%
6c7e
RCSB PDB
PDBbind
342aa, >6C7E_1|Chains... at 99%
6c7f
RCSB PDB
PDBbind
342aa, >6C7F_1|Chains... at 99%
6c7g
RCSB PDB
PDBbind
342aa, >6C7G_1|Chains... at 99%
6c7i
RCSB PDB
PDBbind
342aa, >6C7I_1|Chains... at 99%
6c7j
RCSB PDB
PDBbind
342aa, >6C7J_1|Chains... at 99%
6cyb
RCSB PDB
PDBbind
373aa, >6CYB_1|Chains... at 100%
6cyc
RCSB PDB
PDBbind
373aa, >6CYC_1|Chains... at 100%
6cyd
RCSB PDB
PDBbind
373aa, >6CYD_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5u7j
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Phosphodiesterase 2A
Ligand Name
7XV
EC.Number
E.C.-.-.-.-
Resolution
1.9(Å)
Affinity (Kd/Ki/IC50)
IC50=389.6nM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) J. Med. Chem. Vol. 60: pp. 5673-5698
Ligand Properties
Formula
C
1
8
H
2
2
N
4
O
2
Molecular Weight
326.393
Exact Mass
326.174
No. of atoms
46
No. of bonds
48
Polar Surface Area
61.54
LOGP Value
3.96 (
Computed with XLOGP3
)
2.95 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 3
Canonical SMILES
COc1ccccc1CCOc1cncc2n1c(nn2)CC(C)C
InChI String
InChI=1S/C18H22N4O2/c1-13(2)10-16-20-21-17-11-19-12-18(22(16)17)24-9-8-14-6-4-5-7-15(14)23-3/h4-7,11-13H,8-10H2,1-3H3
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UniProtKB AC
UniProt accession number (AC):
O00408
Entrez Gene ID
NCBI Entrez Gene ID:
5138
ASD
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