Browse entries in the PDBbind-CN Database
HEADER 3TWX_COMPLEX COMPND 3TWX_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 158 MET GLY ASN SER GLU ALA ASP ARG GLN LEU LEU GLU ALA SEQRES 2 A 158 ALA LYS ALA GLY ASP VAL GLU THR VAL LYS LYS LEU CYS SEQRES 3 A 158 THR VAL GLN SER VAL ASN CYS ARG ASP ILE GLU GLY ARG SEQRES 4 A 158 GLN SER THR PRO LEU HIS PHE ALA ALA GLY TYR ASN ARG SEQRES 5 A 158 VAL SER VAL VAL GLU TYR LEU LEU GLN HIS GLY ALA ASP SEQRES 6 A 158 VAL HIS ALA LYS ASP LYS GLY GLY LEU VAL PRO LEU HIS SEQRES 7 A 158 ASN ALA CYS SER TYR GLY HIS TYR GLU VAL ALA GLU LEU SEQRES 8 A 158 LEU VAL LYS HIS GLY ALA VAL VAL ASN VAL ALA ASP LEU SEQRES 9 A 158 TRP LYS PHE THR PRO LEU HIS GLU ALA ALA ALA LYS GLY SEQRES 10 A 158 LYS TYR GLU ILE CYS LYS LEU LEU LEU GLN HIS GLY ALA SEQRES 11 A 158 ASP PRO THR LYS LYS ASN ARG ASP GLY ASN THR PRO LEU SEQRES 12 A 158 ASP LEU VAL LYS ASP GLY ASP THR ASP ILE GLN ASP LEU SEQRES 13 A 158 LEU ARG HET GLN A 282 188 ATOM 1 N MET A 487 -10.091 -21.354 -62.123 1.00 74.16 N ATOM 2 CA MET A 487 -11.199 -21.802 -61.284 1.00 73.94 C ATOM 3 C MET A 487 -11.423 -20.858 -60.103 1.00 67.91 C ATOM 4 O MET A 487 -12.526 -20.353 -59.895 1.00 72.28 O ATOM 5 CB MET A 487 -10.950 -23.226 -60.781 1.00 76.89 C ATOM 6 CG MET A 487 -11.995 -23.734 -59.805 1.00 76.88 C ATOM 7 SD MET A 487 -11.613 -25.396 -59.232 1.00 97.00 S ATOM 8 CE MET A 487 -11.485 -26.279 -60.785 1.00 79.76 C ATOM 9 HA MET A 487 -12.100 -21.795 -61.897 1.00 0.00 H ATOM 10 HB2 MET A 487 -10.933 -23.894 -61.642 1.00 0.00 H ATOM 11 HB3 MET A 487 -9.980 -23.249 -60.285 1.00 0.00 H ATOM 12 HG2 MET A 487 -12.966 -23.745 -60.300 1.00 0.00 H ATOM 13 HG3 MET A 487 -12.033 -23.064 -58.946 1.00 0.00 H ATOM 14 HE1 MET A 487 -12.433 -26.211 -61.319 1.00 0.00 H ATOM 15 HE2 MET A 487 -10.693 -25.836 -61.389 1.00 0.00 H ATOM 16 HE3 MET A 487 -11.251 -27.325 -60.588 1.00 0.00 H ATOM 17 HN3 MET A 487 -9.220 -21.322 -61.556 1.00 0.00 H ATOM 18 HN2 MET A 487 -10.300 -20.405 -62.494 1.00 0.00 H ATOM 19 HN1 MET A 487 -9.967 -22.017 -62.914 1.00 0.00 H ATOM 20 N GLY A 488 -10.373 -20.627 -59.326 1.00 54.40 N ATOM 21 CA GLY A 488 -10.435 -19.661 -58.248 1.00 50.37 C ATOM 22 C GLY A 488 -9.464 -18.527 -58.504 1.00 44.98 C ATOM 23 O GLY A 488 -8.755 -18.519 -59.512 1.00 46.18 O ATOM 24 HA3 GLY A 488 -10.177 -20.151 -57.310 1.00 0.00 H ATOM 25 HA2 GLY A 488 -11.447 -19.261 -58.181 1.00 0.00 H ATOM 26 H GLY A 488 -9.489 -21.149 -59.494 1.00 0.00 H ATOM 27 N ASN A 489 -9.429 -17.560 -57.598 1.00 43.30 N ATOM 28 CA ASN A 489 -8.461 -16.478 -57.706 1.00 36.72 C ATOM 29 C ASN A 489 -7.047 -16.999 -57.529 1.00 41.27 C ATOM 30 O ASN A 489 -6.848 -18.055 -56.933 1.00 39.59 O ATOM 31 CB ASN A 489 -8.761 -15.399 -56.676 1.00 33.76 C ATOM 32 CG ASN A 489 -9.980 -14.598 -57.039 1.00 32.79 C ATOM 33 OD1 ASN A 489 -10.999 -14.647 -56.352 1.00 33.64 O ATOM 34 ND2 ASN A 489 -9.896 -13.876 -58.148 1.00 37.97 N ATOM 35 HA ASN A 489 -8.541 -16.044 -58.703 1.00 0.00 H ATOM 36 HB2 ASN A 489 -8.926 -15.872 -55.708 1.00 0.00 H ATOM 37 HB3 ASN A 489 -7.905 -14.727 -56.610 1.00 0.00 H ATOM 38 HD22 ASN A 489 -9.012 -13.866 -58.696 1.00 0.00 H ATOM 39 HD21 ASN A 489 -10.714 -13.320 -58.470 1.00 0.00 H ATOM 40 H ASN A 489 -10.099 -17.574 -56.803 1.00 0.00 H ATOM 41 N SER A 490 -6.069 -16.274 -58.062 1.00 35.66 N ATOM 42 CA SER A 490 -4.677 -16.572 -57.756 1.00 38.84 C ATOM 43 C SER A 490 -4.476 -16.452 -56.245 1.00 30.93 C ATOM 44 O SER A 490 -5.255 -15.790 -55.550 1.00 25.99 O ATOM 45 CB SER A 490 -3.753 -15.588 -58.461 1.00 37.64 C ATOM 46 OG SER A 490 -3.905 -14.287 -57.908 1.00 29.74 O ATOM 47 HA SER A 490 -4.441 -17.580 -58.098 1.00 0.00 H ATOM 48 HB2 SER A 490 -4.000 -15.559 -59.522 1.00 0.00 H ATOM 49 HB3 SER A 490 -2.720 -15.913 -58.338 1.00 0.00 H ATOM 50 HG SER A 490 -3.679 -14.311 -56.944 1.00 0.00 H ATOM 51 H SER A 490 -6.300 -15.488 -58.703 1.00 0.00 H ATOM 52 N GLU A 491 -3.423 -17.077 -55.734 1.00 35.25 N ATOM 53 CA GLU A 491 -3.149 -16.985 -54.309 1.00 35.92 C ATOM 54 C GLU A 491 -2.901 -15.539 -53.906 1.00 35.73 C ATOM 55 O GLU A 491 -3.346 -15.097 -52.847 1.00 29.56 O ATOM 56 CB GLU A 491 -1.953 -17.849 -53.919 1.00 40.74 C ATOM 57 CG GLU A 491 -1.759 -17.932 -52.413 1.00 42.28 C ATOM 58 CD GLU A 491 -2.963 -18.539 -51.711 1.00 52.24 C ATOM 59 OE1 GLU A 491 -3.752 -19.247 -52.379 1.00 62.60 O ATOM 60 OE2 GLU A 491 -3.123 -18.309 -50.493 1.00 50.62 O ATOM 61 HA GLU A 491 -4.025 -17.356 -53.778 1.00 0.00 H ATOM 62 HB2 GLU A 491 -2.107 -18.856 -54.308 1.00 0.00 H ATOM 63 HB3 GLU A 491 -1.054 -17.423 -54.364 1.00 0.00 H ATOM 64 HG2 GLU A 491 -0.884 -18.548 -52.205 1.00 0.00 H ATOM 65 HG3 GLU A 491 -1.595 -16.927 -52.024 1.00 0.00 H ATOM 66 H GLU A 491 -2.795 -17.631 -56.351 1.00 0.00 H ATOM 67 N ALA A 492 -2.194 -14.797 -54.752 1.00 36.58 N ATOM 68 CA ALA A 492 -1.907 -13.399 -54.455 1.00 32.21 C ATOM 69 C ALA A 492 -3.191 -12.581 -54.305 1.00 31.19 C ATOM 70 O ALA A 492 -3.327 -11.803 -53.363 1.00 26.59 O ATOM 71 CB ALA A 492 -1.014 -12.795 -55.526 1.00 34.87 C ATOM 72 HA ALA A 492 -1.379 -13.367 -53.502 1.00 0.00 H ATOM 73 HB1 ALA A 492 -0.075 -13.347 -55.568 1.00 0.00 H ATOM 74 HB2 ALA A 492 -1.516 -12.855 -56.492 1.00 0.00 H ATOM 75 HB3 ALA A 492 -0.813 -11.751 -55.284 1.00 0.00 H ATOM 76 H ALA A 492 -1.842 -15.218 -55.635 1.00 0.00 H ATOM 77 N ASP A 493 -4.130 -12.757 -55.232 1.00 27.24 N ATOM 78 CA ASP A 493 -5.379 -11.994 -55.201 1.00 23.09 C ATOM 79 C ASP A 493 -6.255 -12.430 -54.039 1.00 21.73 C ATOM 80 O ASP A 493 -6.883 -11.605 -53.391 1.00 22.66 O ATOM 81 CB ASP A 493 -6.151 -12.129 -56.520 1.00 23.54 C ATOM 82 CG ASP A 493 -5.447 -11.441 -57.683 1.00 28.33 C ATOM 83 OD1 ASP A 493 -4.490 -10.677 -57.430 1.00 27.85 O ATOM 84 OD2 ASP A 493 -5.856 -11.661 -58.844 1.00 29.08 O ATOM 85 HA ASP A 493 -5.114 -10.945 -55.065 1.00 0.00 H ATOM 86 HB2 ASP A 493 -6.260 -13.188 -56.754 1.00 0.00 H ATOM 87 HB3 ASP A 493 -7.137 -11.682 -56.395 1.00 0.00 H ATOM 88 H ASP A 493 -3.973 -13.449 -55.992 1.00 0.00 H ATOM 89 N ARG A 494 -6.303 -13.734 -53.784 1.00 23.35 N ATOM 90 CA ARG A 494 -7.049 -14.230 -52.644 1.00 21.12 C ATOM 91 C ARG A 494 -6.512 -13.613 -51.350 1.00 23.48 C ATOM 92 O ARG A 494 -7.283 -13.216 -50.483 1.00 22.69 O ATOM 93 CB ARG A 494 -6.971 -15.752 -52.558 1.00 24.09 C ATOM 94 CG ARG A 494 -7.779 -16.320 -51.422 1.00 33.17 C ATOM 95 CD ARG A 494 -7.345 -17.749 -51.094 1.00 38.23 C ATOM 96 NE ARG A 494 -6.065 -17.784 -50.391 1.00 49.67 N ATOM 97 CZ ARG A 494 -5.926 -17.567 -49.084 1.00 55.11 C ATOM 98 NH1 ARG A 494 -6.989 -17.291 -48.339 1.00 58.18 N ATOM 99 NH2 ARG A 494 -4.728 -17.619 -48.513 1.00 53.38 N ATOM 100 HA ARG A 494 -8.092 -13.943 -52.775 1.00 0.00 H ATOM 101 HB2 ARG A 494 -7.342 -16.172 -53.493 1.00 0.00 H ATOM 102 HB3 ARG A 494 -5.929 -16.039 -52.421 1.00 0.00 H ATOM 103 HG2 ARG A 494 -7.641 -15.695 -50.540 1.00 0.00 H ATOM 104 HG3 ARG A 494 -8.832 -16.324 -51.702 1.00 0.00 H ATOM 105 HD2 ARG A 494 -7.252 -18.311 -52.023 1.00 0.00 H ATOM 106 HD3 ARG A 494 -8.105 -18.212 -50.465 1.00 0.00 H ATOM 107 HE ARG A 494 -5.210 -17.991 -50.945 1.00 0.00 H ATOM 108 HH12 ARG A 494 -6.879 -17.122 -47.319 1.00 0.00 H ATOM 109 HH11 ARG A 494 -7.932 -17.244 -48.775 1.00 0.00 H ATOM 110 HH22 ARG A 494 -4.631 -17.448 -47.492 1.00 0.00 H ATOM 111 HH21 ARG A 494 -3.887 -17.831 -49.087 1.00 0.00 H ATOM 112 H ARG A 494 -5.803 -14.401 -54.405 1.00 0.00 H ATOM 113 N GLN A 495 -5.188 -13.552 -51.220 1.00 21.66 N ATOM 114 CA GLN A 495 -4.563 -12.988 -50.027 1.00 22.18 C ATOM 115 C GLN A 495 -4.808 -11.483 -49.916 1.00 23.93 C ATOM 116 O GLN A 495 -4.980 -10.942 -48.814 1.00 23.67 O ATOM 117 CB GLN A 495 -3.061 -13.276 -50.017 1.00 22.70 C ATOM 118 CG GLN A 495 -2.689 -14.721 -49.719 1.00 27.96 C ATOM 119 CD GLN A 495 -1.194 -14.948 -49.800 1.00 38.44 C ATOM 120 OE1 GLN A 495 -0.442 -14.051 -50.183 1.00 40.23 O ATOM 121 NE2 GLN A 495 -0.753 -16.149 -49.439 1.00 42.49 N ATOM 122 HA GLN A 495 -5.024 -13.468 -49.163 1.00 0.00 H ATOM 123 HB2 GLN A 495 -2.660 -13.018 -50.997 1.00 0.00 H ATOM 124 HB3 GLN A 495 -2.599 -12.644 -49.259 1.00 0.00 H ATOM 125 HG2 GLN A 495 -3.030 -14.973 -48.715 1.00 0.00 H ATOM 126 HG3 GLN A 495 -3.184 -15.369 -50.443 1.00 0.00 H ATOM 127 HE22 GLN A 495 -1.425 -16.876 -49.122 1.00 0.00 H ATOM 128 HE21 GLN A 495 0.264 -16.361 -49.474 1.00 0.00 H ATOM 129 H GLN A 495 -4.585 -13.915 -51.986 1.00 0.00 H ATOM 130 N LEU A 496 -4.817 -10.802 -51.052 1.00 23.89 N ATOM 131 CA LEU A 496 -5.076 -9.361 -51.063 1.00 18.82 C ATOM 132 C LEU A 496 -6.506 -9.069 -50.610 1.00 19.04 C ATOM 133 O LEU A 496 -6.755 -8.151 -49.809 1.00 16.28 O ATOM 134 CB LEU A 496 -4.846 -8.792 -52.465 1.00 14.16 C ATOM 135 CG LEU A 496 -5.260 -7.329 -52.677 1.00 14.65 C ATOM 136 CD1 LEU A 496 -4.561 -6.412 -51.663 1.00 16.23 C ATOM 137 CD2 LEU A 496 -4.993 -6.858 -54.117 1.00 18.09 C ATOM 138 HA LEU A 496 -4.385 -8.883 -50.368 1.00 0.00 H ATOM 139 HB2 LEU A 496 -3.782 -8.873 -52.687 1.00 0.00 H ATOM 140 HB3 LEU A 496 -5.410 -9.403 -53.169 1.00 0.00 H ATOM 141 HG LEU A 496 -6.336 -7.270 -52.512 1.00 0.00 H ATOM 142 HD21 LEU A 496 -3.929 -6.947 -54.335 1.00 0.00 H ATOM 143 HD22 LEU A 496 -5.561 -7.477 -54.812 1.00 0.00 H ATOM 144 HD23 LEU A 496 -5.301 -5.818 -54.221 1.00 0.00 H ATOM 145 HD11 LEU A 496 -4.837 -6.713 -50.652 1.00 0.00 H ATOM 146 HD12 LEU A 496 -3.481 -6.493 -51.786 1.00 0.00 H ATOM 147 HD13 LEU A 496 -4.871 -5.381 -51.834 1.00 0.00 H ATOM 148 H LEU A 496 -4.638 -11.298 -51.949 1.00 0.00 H ATOM 149 N LEU A 497 -7.445 -9.850 -51.137 1.00 17.27 N ATOM 150 CA LEU A 497 -8.849 -9.706 -50.794 1.00 15.24 C ATOM 151 C LEU A 497 -9.051 -9.978 -49.312 1.00 18.34 C ATOM 152 O LEU A 497 -9.751 -9.233 -48.633 1.00 18.48 O ATOM 153 CB LEU A 497 -9.708 -10.659 -51.635 1.00 17.95 C ATOM 154 CG LEU A 497 -9.844 -10.280 -53.114 1.00 16.82 C ATOM 155 CD1 LEU A 497 -10.359 -11.439 -53.963 1.00 22.59 C ATOM 156 CD2 LEU A 497 -10.754 -9.080 -53.285 1.00 14.43 C ATOM 157 HA LEU A 497 -9.160 -8.684 -51.010 1.00 0.00 H ATOM 158 HB2 LEU A 497 -9.262 -11.652 -51.580 1.00 0.00 H ATOM 159 HB3 LEU A 497 -10.707 -10.686 -51.200 1.00 0.00 H ATOM 160 HG LEU A 497 -8.843 -10.027 -53.463 1.00 0.00 H ATOM 161 HD21 LEU A 497 -11.743 -9.316 -52.891 1.00 0.00 H ATOM 162 HD22 LEU A 497 -10.339 -8.231 -52.742 1.00 0.00 H ATOM 163 HD23 LEU A 497 -10.832 -8.833 -54.344 1.00 0.00 H ATOM 164 HD11 LEU A 497 -9.666 -12.277 -53.891 1.00 0.00 H ATOM 165 HD12 LEU A 497 -11.340 -11.745 -53.600 1.00 0.00 H ATOM 166 HD13 LEU A 497 -10.438 -11.120 -55.002 1.00 0.00 H ATOM 167 H LEU A 497 -7.165 -10.587 -51.816 1.00 0.00 H ATOM 168 N GLU A 498 -8.443 -11.051 -48.810 1.00 20.20 N ATOM 169 CA GLU A 498 -8.570 -11.382 -47.393 1.00 23.32 C ATOM 170 C GLU A 498 -7.959 -10.284 -46.521 1.00 20.78 C ATOM 171 O GLU A 498 -8.507 -9.934 -45.474 1.00 20.66 O ATOM 172 CB GLU A 498 -7.916 -12.737 -47.087 1.00 23.87 C ATOM 173 CG GLU A 498 -8.726 -13.937 -47.562 1.00 27.05 C ATOM 174 CD GLU A 498 -9.870 -14.300 -46.628 1.00 37.50 C ATOM 175 OE1 GLU A 498 -10.010 -13.658 -45.562 1.00 37.33 O ATOM 176 OE2 GLU A 498 -10.626 -15.239 -46.961 1.00 44.76 O ATOM 177 HA GLU A 498 -9.632 -11.454 -47.159 1.00 0.00 H ATOM 178 HB2 GLU A 498 -6.942 -12.766 -47.575 1.00 0.00 H ATOM 179 HB3 GLU A 498 -7.783 -12.818 -46.008 1.00 0.00 H ATOM 180 HG2 GLU A 498 -9.140 -13.708 -48.544 1.00 0.00 H ATOM 181 HG3 GLU A 498 -8.059 -14.795 -47.642 1.00 0.00 H ATOM 182 H GLU A 498 -7.873 -11.659 -49.432 1.00 0.00 H ATOM 183 N ALA A 499 -6.829 -9.741 -46.957 1.00 21.06 N ATOM 184 CA ALA A 499 -6.157 -8.685 -46.200 1.00 23.59 C ATOM 185 C ALA A 499 -6.998 -7.404 -46.158 1.00 21.92 C ATOM 186 O ALA A 499 -7.065 -6.737 -45.126 1.00 19.54 O ATOM 187 CB ALA A 499 -4.784 -8.405 -46.782 1.00 19.11 C ATOM 188 HA ALA A 499 -6.036 -9.035 -45.175 1.00 0.00 H ATOM 189 HB1 ALA A 499 -4.180 -9.312 -46.738 1.00 0.00 H ATOM 190 HB2 ALA A 499 -4.889 -8.086 -47.819 1.00 0.00 H ATOM 191 HB3 ALA A 499 -4.300 -7.617 -46.205 1.00 0.00 H ATOM 192 H ALA A 499 -6.415 -10.072 -47.852 1.00 0.00 H ATOM 193 N ALA A 500 -7.615 -7.052 -47.285 1.00 19.04 N ATOM 194 CA ALA A 500 -8.547 -5.925 -47.326 1.00 15.92 C ATOM 195 C ALA A 500 -9.690 -6.123 -46.331 1.00 20.73 C ATOM 196 O ALA A 500 -10.029 -5.205 -45.581 1.00 23.22 O ATOM 197 CB ALA A 500 -9.089 -5.712 -48.748 1.00 13.29 C ATOM 198 HA ALA A 500 -8.001 -5.028 -47.036 1.00 0.00 H ATOM 199 HB1 ALA A 500 -8.260 -5.506 -49.425 1.00 0.00 H ATOM 200 HB2 ALA A 500 -9.611 -6.611 -49.075 1.00 0.00 H ATOM 201 HB3 ALA A 500 -9.779 -4.868 -48.750 1.00 0.00 H ATOM 202 H ALA A 500 -7.430 -7.590 -48.155 1.00 0.00 H ATOM 203 N LYS A 501 -10.286 -7.317 -46.326 1.00 16.39 N ATOM 204 CA LYS A 501 -11.359 -7.667 -45.392 1.00 20.36 C ATOM 205 C LYS A 501 -10.899 -7.572 -43.932 1.00 19.07 C ATOM 206 O LYS A 501 -11.660 -7.141 -43.058 1.00 17.55 O ATOM 207 CB LYS A 501 -11.894 -9.090 -45.695 1.00 19.02 C ATOM 208 CG LYS A 501 -13.019 -9.615 -44.777 1.00 21.65 C ATOM 209 CD LYS A 501 -13.409 -11.069 -45.126 1.00 25.32 C ATOM 210 CE LYS A 501 -14.476 -11.642 -44.180 1.00 21.28 C ATOM 211 NZ LYS A 501 -14.738 -13.114 -44.351 1.00 30.55 N ATOM 212 HA LYS A 501 -12.163 -6.945 -45.531 1.00 0.00 H ATOM 213 HB2 LYS A 501 -12.273 -9.090 -46.717 1.00 0.00 H ATOM 214 HB3 LYS A 501 -11.055 -9.782 -45.620 1.00 0.00 H ATOM 215 HG2 LYS A 501 -12.677 -9.579 -43.743 1.00 0.00 H ATOM 216 HG3 LYS A 501 -13.895 -8.977 -44.891 1.00 0.00 H ATOM 217 HD2 LYS A 501 -13.798 -11.091 -46.144 1.00 0.00 H ATOM 218 HD3 LYS A 501 -12.518 -11.693 -45.065 1.00 0.00 H ATOM 219 HE2 LYS A 501 -15.409 -11.107 -44.356 1.00 0.00 H ATOM 220 HE3 LYS A 501 -14.149 -11.471 -43.154 1.00 0.00 H ATOM 221 HZ1 LYS A 501 -15.065 -13.296 -45.321 1.00 0.00 H ATOM 222 HZ2 LYS A 501 -13.861 -13.644 -44.174 1.00 0.00 H ATOM 223 HZ3 LYS A 501 -15.469 -13.416 -43.675 1.00 0.00 H ATOM 224 H LYS A 501 -9.975 -8.031 -47.016 1.00 0.00 H ATOM 225 N ALA A 502 -9.666 -7.999 -43.671 1.00 20.98 N ATOM 226 CA ALA A 502 -9.157 -8.094 -42.311 1.00 24.03 C ATOM 227 C ALA A 502 -8.612 -6.762 -41.796 1.00 21.19 C ATOM 228 O ALA A 502 -8.376 -6.609 -40.584 1.00 22.52 O ATOM 229 CB ALA A 502 -8.087 -9.207 -42.200 1.00 20.01 C ATOM 230 HA ALA A 502 -10.002 -8.357 -41.675 1.00 0.00 H ATOM 231 HB1 ALA A 502 -8.530 -10.164 -42.477 1.00 0.00 H ATOM 232 HB2 ALA A 502 -7.258 -8.981 -42.871 1.00 0.00 H ATOM 233 HB3 ALA A 502 -7.722 -9.258 -41.174 1.00 0.00 H ATOM 234 H ALA A 502 -9.048 -8.273 -44.462 1.00 0.00 H ATOM 235 N GLY A 503 -8.437 -5.811 -42.715 1.00 17.12 N ATOM 236 CA GLY A 503 -7.846 -4.514 -42.423 1.00 15.54 C ATOM 237 C GLY A 503 -6.346 -4.614 -42.172 1.00 26.72 C ATOM 238 O GLY A 503 -5.767 -3.778 -41.478 1.00 25.31 O ATOM 239 HA3 GLY A 503 -8.325 -4.100 -41.535 1.00 0.00 H ATOM 240 HA2 GLY A 503 -8.018 -3.850 -43.270 1.00 0.00 H ATOM 241 H GLY A 503 -8.739 -6.007 -43.691 1.00 0.00 H ATOM 242 N ASP A 504 -5.718 -5.650 -42.720 1.00 18.60 N ATOM 243 CA ASP A 504 -4.270 -5.848 -42.563 1.00 24.20 C ATOM 244 C ASP A 504 -3.561 -5.005 -43.627 1.00 26.98 C ATOM 245 O ASP A 504 -3.277 -5.484 -44.736 1.00 23.64 O ATOM 246 CB ASP A 504 -3.936 -7.341 -42.700 1.00 26.17 C ATOM 247 CG ASP A 504 -2.432 -7.630 -42.732 1.00 28.80 C ATOM 248 OD1 ASP A 504 -1.604 -6.700 -42.616 1.00 31.19 O ATOM 249 OD2 ASP A 504 -2.079 -8.824 -42.858 1.00 30.22 O ATOM 250 HA ASP A 504 -3.933 -5.530 -41.576 1.00 0.00 H ATOM 251 HB2 ASP A 504 -4.372 -7.871 -41.853 1.00 0.00 H ATOM 252 HB3 ASP A 504 -4.378 -7.710 -43.625 1.00 0.00 H ATOM 253 H ASP A 504 -6.266 -6.339 -43.274 1.00 0.00 H ATOM 254 N VAL A 505 -3.292 -3.741 -43.306 1.00 23.25 N ATOM 255 CA VAL A 505 -2.779 -2.828 -44.323 1.00 20.51 C ATOM 256 C VAL A 505 -1.361 -3.171 -44.793 1.00 21.21 C ATOM 257 O VAL A 505 -1.016 -2.927 -45.948 1.00 22.48 O ATOM 258 CB VAL A 505 -2.837 -1.350 -43.885 1.00 29.76 C ATOM 259 CG1 VAL A 505 -1.761 -1.047 -42.864 1.00 29.81 C ATOM 260 CG2 VAL A 505 -2.697 -0.446 -45.099 1.00 34.33 C ATOM 261 HA VAL A 505 -3.452 -2.965 -45.169 1.00 0.00 H ATOM 262 HB VAL A 505 -3.803 -1.162 -43.416 1.00 0.00 H ATOM 263 HG11 VAL A 505 -1.905 -1.679 -41.988 1.00 0.00 H ATOM 264 HG12 VAL A 505 -0.782 -1.246 -43.300 1.00 0.00 H ATOM 265 HG13 VAL A 505 -1.824 0.001 -42.572 1.00 0.00 H ATOM 266 HG21 VAL A 505 -1.742 -0.640 -45.587 1.00 0.00 H ATOM 267 HG22 VAL A 505 -3.510 -0.648 -45.796 1.00 0.00 H ATOM 268 HG23 VAL A 505 -2.739 0.596 -44.781 1.00 0.00 H ATOM 269 H VAL A 505 -3.447 -3.405 -42.334 1.00 0.00 H ATOM 270 N GLU A 506 -0.545 -3.731 -43.906 1.00 23.64 N ATOM 271 CA GLU A 506 0.813 -4.109 -44.289 1.00 26.68 C ATOM 272 C GLU A 506 0.790 -5.195 -45.371 1.00 25.50 C ATOM 273 O GLU A 506 1.563 -5.145 -46.322 1.00 27.12 O ATOM 274 CB GLU A 506 1.633 -4.544 -43.072 1.00 38.67 C ATOM 275 CG GLU A 506 1.946 -3.398 -42.112 1.00 52.72 C ATOM 276 CD GLU A 506 2.687 -2.244 -42.786 1.00 65.35 C ATOM 277 OE1 GLU A 506 3.660 -2.504 -43.532 1.00 69.20 O ATOM 278 OE2 GLU A 506 2.294 -1.075 -42.571 1.00 68.60 O ATOM 279 HA GLU A 506 1.302 -3.231 -44.710 1.00 0.00 H ATOM 280 HB2 GLU A 506 1.072 -5.305 -42.531 1.00 0.00 H ATOM 281 HB3 GLU A 506 2.574 -4.969 -43.422 1.00 0.00 H ATOM 282 HG2 GLU A 506 1.009 -3.019 -41.705 1.00 0.00 H ATOM 283 HG3 GLU A 506 2.564 -3.782 -41.301 1.00 0.00 H ATOM 284 H GLU A 506 -0.875 -3.901 -42.934 1.00 0.00 H ATOM 285 N THR A 507 -0.108 -6.165 -45.248 1.00 23.72 N ATOM 286 CA THR A 507 -0.213 -7.180 -46.292 1.00 27.15 C ATOM 287 C THR A 507 -0.793 -6.575 -47.575 1.00 23.32 C ATOM 288 O THR A 507 -0.333 -6.873 -48.674 1.00 20.99 O ATOM 289 CB THR A 507 -1.045 -8.393 -45.837 1.00 29.33 C ATOM 290 OG1 THR A 507 -0.379 -9.048 -44.746 1.00 29.39 O ATOM 291 CG2 THR A 507 -1.211 -9.376 -46.973 1.00 29.21 C ATOM 292 HA THR A 507 0.795 -7.540 -46.498 1.00 0.00 H ATOM 293 HB THR A 507 -2.028 -8.043 -45.521 1.00 0.00 H ATOM 294 HG1 THR A 507 -0.280 -8.413 -43.993 1.00 0.00 H ATOM 295 HG23 THR A 507 -1.716 -8.886 -47.805 1.00 0.00 H ATOM 296 HG21 THR A 507 -0.230 -9.725 -47.296 1.00 0.00 H ATOM 297 HG22 THR A 507 -1.806 -10.224 -46.634 1.00 0.00 H ATOM 298 H THR A 507 -0.731 -6.201 -44.416 1.00 0.00 H ATOM 299 N VAL A 508 -1.797 -5.714 -47.441 1.00 22.46 N ATOM 300 CA VAL A 508 -2.333 -5.024 -48.618 1.00 21.18 C ATOM 301 C VAL A 508 -1.210 -4.331 -49.388 1.00 25.27 C ATOM 302 O VAL A 508 -1.125 -4.446 -50.614 1.00 22.14 O ATOM 303 CB VAL A 508 -3.455 -4.008 -48.244 1.00 17.64 C ATOM 304 CG1 VAL A 508 -3.783 -3.099 -49.426 1.00 16.16 C ATOM 305 CG2 VAL A 508 -4.704 -4.747 -47.786 1.00 22.23 C ATOM 306 HA VAL A 508 -2.787 -5.779 -49.260 1.00 0.00 H ATOM 307 HB VAL A 508 -3.092 -3.386 -47.426 1.00 0.00 H ATOM 308 HG11 VAL A 508 -2.890 -2.545 -49.715 1.00 0.00 H ATOM 309 HG12 VAL A 508 -4.124 -3.705 -50.265 1.00 0.00 H ATOM 310 HG13 VAL A 508 -4.568 -2.400 -49.138 1.00 0.00 H ATOM 311 HG21 VAL A 508 -5.059 -5.391 -48.591 1.00 0.00 H ATOM 312 HG22 VAL A 508 -4.466 -5.353 -46.912 1.00 0.00 H ATOM 313 HG23 VAL A 508 -5.478 -4.024 -47.528 1.00 0.00 H ATOM 314 H VAL A 508 -2.202 -5.530 -46.501 1.00 0.00 H ATOM 315 N LYS A 509 -0.325 -3.640 -48.672 1.00 18.71 N ATOM 316 CA LYS A 509 0.745 -2.882 -49.316 1.00 20.64 C ATOM 317 C LYS A 509 1.716 -3.783 -50.059 1.00 26.28 C ATOM 318 O LYS A 509 2.340 -3.365 -51.032 1.00 27.41 O ATOM 319 CB LYS A 509 1.525 -2.038 -48.299 1.00 25.91 C ATOM 320 CG LYS A 509 0.739 -0.876 -47.692 1.00 28.07 C ATOM 321 CD LYS A 509 1.626 -0.090 -46.723 1.00 31.44 C ATOM 322 CE LYS A 509 0.865 1.047 -46.070 1.00 32.76 C ATOM 323 NZ LYS A 509 1.738 1.771 -45.117 1.00 36.61 N ATOM 324 HA LYS A 509 0.259 -2.223 -50.036 1.00 0.00 H ATOM 325 HB2 LYS A 509 1.843 -2.693 -47.488 1.00 0.00 H ATOM 326 HB3 LYS A 509 2.403 -1.629 -48.800 1.00 0.00 H ATOM 327 HG2 LYS A 509 0.400 -0.214 -48.489 1.00 0.00 H ATOM 328 HG3 LYS A 509 -0.125 -1.267 -47.154 1.00 0.00 H ATOM 329 HD2 LYS A 509 1.989 -0.765 -45.948 1.00 0.00 H ATOM 330 HD3 LYS A 509 2.474 0.320 -47.272 1.00 0.00 H ATOM 331 HE2 LYS A 509 0.005 0.644 -45.535 1.00 0.00 H ATOM 332 HE3 LYS A 509 0.521 1.738 -46.839 1.00 0.00 H ATOM 333 HZ1 LYS A 509 2.065 1.114 -44.380 1.00 0.00 H ATOM 334 HZ2 LYS A 509 2.558 2.159 -45.626 1.00 0.00 H ATOM 335 HZ3 LYS A 509 1.202 2.547 -44.678 1.00 0.00 H ATOM 336 H LYS A 509 -0.397 -3.640 -47.634 1.00 0.00 H ATOM 337 N LYS A 510 1.844 -5.018 -49.586 1.00 24.71 N ATOM 338 CA LYS A 510 2.793 -5.951 -50.169 1.00 31.00 C ATOM 339 C LYS A 510 2.227 -6.636 -51.409 1.00 28.26 C ATOM 340 O LYS A 510 2.984 -7.098 -52.249 1.00 31.55 O ATOM 341 CB LYS A 510 3.253 -6.987 -49.133 1.00 34.36 C ATOM 342 CG LYS A 510 3.989 -6.372 -47.943 1.00 42.05 C ATOM 343 CD LYS A 510 4.644 -7.422 -47.064 1.00 44.26 C ATOM 344 CE LYS A 510 5.328 -6.775 -45.870 1.00 46.82 C ATOM 345 NZ LYS A 510 6.278 -5.705 -46.286 1.00 48.21 N ATOM 346 HA LYS A 510 3.662 -5.374 -50.484 1.00 0.00 H ATOM 347 HB2 LYS A 510 2.376 -7.516 -48.761 1.00 0.00 H ATOM 348 HB3 LYS A 510 3.921 -7.694 -49.625 1.00 0.00 H ATOM 349 HG2 LYS A 510 4.759 -5.698 -48.318 1.00 0.00 H ATOM 350 HG3 LYS A 510 3.275 -5.808 -47.343 1.00 0.00 H ATOM 351 HD2 LYS A 510 3.883 -8.116 -46.708 1.00 0.00 H ATOM 352 HD3 LYS A 510 5.385 -7.967 -47.649 1.00 0.00 H ATOM 353 HE2 LYS A 510 5.877 -7.540 -45.321 1.00 0.00 H ATOM 354 HE3 LYS A 510 4.568 -6.339 -45.222 1.00 0.00 H ATOM 355 HZ1 LYS A 510 7.011 -6.114 -46.900 1.00 0.00 H ATOM 356 HZ2 LYS A 510 5.761 -4.967 -46.805 1.00 0.00 H ATOM 357 HZ3 LYS A 510 6.722 -5.290 -45.442 1.00 0.00 H ATOM 358 H LYS A 510 1.255 -5.322 -48.785 1.00 0.00 H ATOM 359 N LEU A 511 0.903 -6.680 -51.534 1.00 28.61 N ATOM 360 CA LEU A 511 0.283 -7.389 -52.657 1.00 28.69 C ATOM 361 C LEU A 511 -0.338 -6.474 -53.707 1.00 32.22 C ATOM 362 O LEU A 511 -0.475 -6.857 -54.869 1.00 32.91 O ATOM 363 CB LEU A 511 -0.780 -8.364 -52.156 1.00 26.05 C ATOM 364 CG LEU A 511 -0.292 -9.450 -51.197 1.00 29.10 C ATOM 365 CD1 LEU A 511 -1.465 -10.254 -50.682 1.00 26.09 C ATOM 366 CD2 LEU A 511 0.716 -10.349 -51.890 1.00 34.00 C ATOM 367 HA LEU A 511 1.099 -7.923 -53.144 1.00 0.00 H ATOM 368 HB2 LEU A 511 -1.548 -7.786 -51.643 1.00 0.00 H ATOM 369 HB3 LEU A 511 -1.217 -8.857 -53.024 1.00 0.00 H ATOM 370 HG LEU A 511 0.200 -8.977 -50.347 1.00 0.00 H ATOM 371 HD21 LEU A 511 0.247 -10.820 -52.754 1.00 0.00 H ATOM 372 HD22 LEU A 511 1.568 -9.753 -52.217 1.00 0.00 H ATOM 373 HD23 LEU A 511 1.054 -11.117 -51.195 1.00 0.00 H ATOM 374 HD11 LEU A 511 -2.153 -9.593 -50.155 1.00 0.00 H ATOM 375 HD12 LEU A 511 -1.980 -10.722 -51.521 1.00 0.00 H ATOM 376 HD13 LEU A 511 -1.105 -11.024 -50.000 1.00 0.00 H ATOM 377 H LEU A 511 0.303 -6.207 -50.829 1.00 0.00 H ATOM 378 N CYS A 512 -0.719 -5.273 -53.296 1.00 20.35 N ATOM 379 CA CYS A 512 -1.427 -4.357 -54.177 1.00 21.16 C ATOM 380 C CYS A 512 -0.547 -3.789 -55.291 1.00 27.23 C ATOM 381 O CYS A 512 0.504 -3.201 -55.034 1.00 29.86 O ATOM 382 CB CYS A 512 -2.051 -3.222 -53.362 1.00 21.09 C ATOM 383 SG CYS A 512 -3.164 -2.153 -54.312 1.00 23.10 S ATOM 384 HA CYS A 512 -2.210 -4.936 -54.667 1.00 0.00 H ATOM 385 HB2 CYS A 512 -1.246 -2.607 -52.959 1.00 0.00 H ATOM 386 HB3 CYS A 512 -2.617 -3.661 -52.540 1.00 0.00 H ATOM 387 HG CYS A 512 -3.669 -1.169 -53.487 1.00 0.00 H ATOM 388 H CYS A 512 -0.507 -4.979 -52.321 1.00 0.00 H ATOM 389 N THR A 513 -0.982 -3.970 -56.532 1.00 25.95 N ATOM 390 CA THR A 513 -0.304 -3.369 -57.670 1.00 26.42 C ATOM 391 C THR A 513 -1.380 -2.799 -58.561 1.00 26.53 C ATOM 392 O THR A 513 -2.567 -2.988 -58.312 1.00 20.33 O ATOM 393 CB THR A 513 0.480 -4.397 -58.487 1.00 25.78 C ATOM 394 OG1 THR A 513 -0.434 -5.319 -59.100 1.00 23.41 O ATOM 395 CG2 THR A 513 1.469 -5.171 -57.595 1.00 29.98 C ATOM 396 HA THR A 513 0.401 -2.621 -57.308 1.00 0.00 H ATOM 397 HB THR A 513 1.047 -3.869 -59.254 1.00 0.00 H ATOM 398 HG1 THR A 513 -0.954 -5.783 -58.397 1.00 0.00 H ATOM 399 HG23 THR A 513 2.162 -4.470 -57.130 1.00 0.00 H ATOM 400 HG21 THR A 513 0.917 -5.705 -56.821 1.00 0.00 H ATOM 401 HG22 THR A 513 2.025 -5.884 -58.204 1.00 0.00 H ATOM 402 H THR A 513 -1.827 -4.555 -56.694 1.00 0.00 H ATOM 403 N VAL A 514 -0.984 -2.107 -59.613 1.00 28.61 N ATOM 404 CA VAL A 514 -1.990 -1.585 -60.516 1.00 32.21 C ATOM 405 C VAL A 514 -2.814 -2.727 -61.152 1.00 29.44 C ATOM 406 O VAL A 514 -3.990 -2.547 -61.473 1.00 30.47 O ATOM 407 CB VAL A 514 -1.375 -0.646 -61.582 1.00 36.14 C ATOM 408 CG1 VAL A 514 -0.530 -1.429 -62.576 1.00 32.71 C ATOM 409 CG2 VAL A 514 -2.465 0.130 -62.276 1.00 42.81 C ATOM 410 HA VAL A 514 -2.678 -0.978 -59.928 1.00 0.00 H ATOM 411 HB VAL A 514 -0.714 0.064 -61.085 1.00 0.00 H ATOM 412 HG11 VAL A 514 0.278 -1.934 -62.046 1.00 0.00 H ATOM 413 HG12 VAL A 514 -1.154 -2.168 -63.079 1.00 0.00 H ATOM 414 HG13 VAL A 514 -0.111 -0.744 -63.313 1.00 0.00 H ATOM 415 HG21 VAL A 514 -3.151 -0.564 -62.762 1.00 0.00 H ATOM 416 HG22 VAL A 514 -3.008 0.726 -61.543 1.00 0.00 H ATOM 417 HG23 VAL A 514 -2.022 0.787 -63.024 1.00 0.00 H ATOM 418 H VAL A 514 0.027 -1.940 -59.790 1.00 0.00 H ATOM 419 N GLN A 515 -2.221 -3.912 -61.297 1.00 24.20 N ATOM 420 CA GLN A 515 -2.948 -5.015 -61.930 1.00 26.57 C ATOM 421 C GLN A 515 -3.947 -5.661 -60.961 1.00 23.74 C ATOM 422 O GLN A 515 -5.005 -6.129 -61.371 1.00 26.04 O ATOM 423 CB GLN A 515 -1.997 -6.086 -62.477 1.00 25.29 C ATOM 424 CG GLN A 515 -0.650 -5.558 -62.928 1.00 29.62 C ATOM 425 CD GLN A 515 0.365 -6.666 -63.101 1.00 33.19 C ATOM 426 OE1 GLN A 515 0.364 -7.644 -62.357 1.00 33.70 O ATOM 427 NE2 GLN A 515 1.232 -6.523 -64.087 1.00 35.53 N ATOM 428 HA GLN A 515 -3.498 -4.582 -62.765 1.00 0.00 H ATOM 429 HB2 GLN A 515 -1.829 -6.825 -61.693 1.00 0.00 H ATOM 430 HB3 GLN A 515 -2.478 -6.566 -63.329 1.00 0.00 H ATOM 431 HG2 GLN A 515 -0.775 -5.043 -63.881 1.00 0.00 H ATOM 432 HG3 GLN A 515 -0.280 -4.855 -62.182 1.00 0.00 H ATOM 433 HE22 GLN A 515 1.196 -5.678 -64.693 1.00 0.00 H ATOM 434 HE21 GLN A 515 1.951 -7.255 -64.258 1.00 0.00 H ATOM 435 H GLN A 515 -1.246 -4.053 -60.962 1.00 0.00 H ATOM 436 N SER A 516 -3.614 -5.672 -59.682 1.00 16.87 N ATOM 437 CA SER A 516 -4.421 -6.408 -58.703 1.00 18.87 C ATOM 438 C SER A 516 -5.369 -5.547 -57.884 1.00 20.62 C ATOM 439 O SER A 516 -6.252 -6.078 -57.217 1.00 20.41 O ATOM 440 CB SER A 516 -3.513 -7.172 -57.745 1.00 23.94 C ATOM 441 OG SER A 516 -2.743 -6.261 -56.999 1.00 26.75 O ATOM 442 HA SER A 516 -5.040 -7.081 -59.296 1.00 0.00 H ATOM 443 HB2 SER A 516 -2.852 -7.826 -58.314 1.00 0.00 H ATOM 444 HB3 SER A 516 -4.121 -7.773 -57.069 1.00 0.00 H ATOM 445 HG SER A 516 -2.155 -6.759 -56.378 1.00 0.00 H ATOM 446 H SER A 516 -2.770 -5.153 -59.366 1.00 0.00 H ATOM 447 N VAL A 517 -5.190 -4.227 -57.911 1.00 16.95 N ATOM 448 CA VAL A 517 -5.923 -3.359 -56.982 1.00 13.45 C ATOM 449 C VAL A 517 -7.450 -3.492 -57.115 1.00 20.31 C ATOM 450 O VAL A 517 -8.182 -3.382 -56.128 1.00 20.00 O ATOM 451 CB VAL A 517 -5.459 -1.881 -57.069 1.00 15.30 C ATOM 452 CG1 VAL A 517 -5.736 -1.306 -58.449 1.00 17.06 C ATOM 453 CG2 VAL A 517 -6.132 -1.020 -55.953 1.00 18.26 C ATOM 454 HA VAL A 517 -5.673 -3.713 -55.982 1.00 0.00 H ATOM 455 HB VAL A 517 -4.381 -1.854 -56.907 1.00 0.00 H ATOM 456 HG11 VAL A 517 -5.198 -1.887 -59.198 1.00 0.00 H ATOM 457 HG12 VAL A 517 -6.806 -1.351 -58.652 1.00 0.00 H ATOM 458 HG13 VAL A 517 -5.401 -0.269 -58.483 1.00 0.00 H ATOM 459 HG21 VAL A 517 -7.215 -1.056 -56.072 1.00 0.00 H ATOM 460 HG22 VAL A 517 -5.859 -1.417 -54.975 1.00 0.00 H ATOM 461 HG23 VAL A 517 -5.790 0.012 -56.036 1.00 0.00 H ATOM 462 H VAL A 517 -4.527 -3.809 -58.595 1.00 0.00 H ATOM 463 N ASN A 518 -7.923 -3.763 -58.329 1.00 17.75 N ATOM 464 CA ASN A 518 -9.353 -3.952 -58.549 1.00 14.71 C ATOM 465 C ASN A 518 -9.738 -5.397 -58.896 1.00 17.62 C ATOM 466 O ASN A 518 -10.692 -5.640 -59.635 1.00 18.23 O ATOM 467 CB ASN A 518 -9.868 -2.956 -59.593 1.00 16.51 C ATOM 468 CG ASN A 518 -9.770 -1.521 -59.106 1.00 20.35 C ATOM 469 OD1 ASN A 518 -10.208 -1.208 -57.993 1.00 20.61 O ATOM 470 ND2 ASN A 518 -9.158 -0.645 -59.918 1.00 18.96 N ATOM 471 HA ASN A 518 -9.847 -3.749 -57.599 1.00 0.00 H ATOM 472 HB2 ASN A 518 -9.276 -3.061 -60.502 1.00 0.00 H ATOM 473 HB3 ASN A 518 -10.911 -3.183 -59.812 1.00 0.00 H ATOM 474 HD22 ASN A 518 -8.806 -0.955 -60.846 1.00 0.00 H ATOM 475 HD21 ASN A 518 -9.036 0.344 -59.619 1.00 0.00 H ATOM 476 H ASN A 518 -7.265 -3.841 -59.131 1.00 0.00 H ATOM 477 N CYS A 519 -9.002 -6.353 -58.339 1.00 18.32 N ATOM 478 CA CYS A 519 -9.316 -7.760 -58.589 1.00 19.94 C ATOM 479 C CYS A 519 -10.668 -8.097 -57.959 1.00 20.24 C ATOM 480 O CYS A 519 -11.169 -7.343 -57.130 1.00 19.20 O ATOM 481 CB CYS A 519 -8.204 -8.675 -58.060 1.00 18.14 C ATOM 482 SG CYS A 519 -8.051 -8.780 -56.266 1.00 20.39 S ATOM 483 HA CYS A 519 -9.380 -7.928 -59.664 1.00 0.00 H ATOM 484 HB2 CYS A 519 -7.256 -8.310 -58.455 1.00 0.00 H ATOM 485 HB3 CYS A 519 -8.391 -9.680 -58.438 1.00 0.00 H ATOM 486 HG CYS A 519 -7.791 -7.525 -55.754 1.00 0.00 H ATOM 487 H CYS A 519 -8.202 -6.101 -57.725 1.00 0.00 H ATOM 488 N ARG A 520 -11.255 -9.223 -58.361 1.00 17.75 N ATOM 489 CA ARG A 520 -12.598 -9.575 -57.926 1.00 18.40 C ATOM 490 C ARG A 520 -12.635 -10.960 -57.282 1.00 21.38 C ATOM 491 O ARG A 520 -12.009 -11.900 -57.767 1.00 21.75 O ATOM 492 CB ARG A 520 -13.550 -9.556 -59.118 1.00 23.02 C ATOM 493 CG ARG A 520 -13.553 -8.244 -59.885 1.00 24.88 C ATOM 494 CD ARG A 520 -14.276 -8.388 -61.217 1.00 27.47 C ATOM 495 NE ARG A 520 -15.725 -8.470 -61.062 1.00 31.43 N ATOM 496 CZ ARG A 520 -16.515 -7.415 -60.852 1.00 32.18 C ATOM 497 NH1 ARG A 520 -17.830 -7.578 -60.735 1.00 33.40 N ATOM 498 NH2 ARG A 520 -15.990 -6.194 -60.760 1.00 26.94 N ATOM 499 HA ARG A 520 -12.908 -8.840 -57.183 1.00 0.00 H ATOM 500 HB2 ARG A 520 -13.259 -10.353 -59.802 1.00 0.00 H ATOM 501 HB3 ARG A 520 -14.560 -9.743 -58.753 1.00 0.00 H ATOM 502 HG2 ARG A 520 -14.056 -7.483 -59.287 1.00 0.00 H ATOM 503 HG3 ARG A 520 -12.524 -7.937 -60.070 1.00 0.00 H ATOM 504 HD2 ARG A 520 -13.925 -9.295 -61.709 1.00 0.00 H ATOM 505 HD3 ARG A 520 -14.039 -7.524 -61.838 1.00 0.00 H ATOM 506 HE ARG A 520 -16.169 -9.409 -61.119 1.00 0.00 H ATOM 507 HH12 ARG A 520 -18.444 -6.754 -60.571 1.00 0.00 H ATOM 508 HH11 ARG A 520 -18.245 -8.529 -60.807 1.00 0.00 H ATOM 509 HH22 ARG A 520 -16.608 -5.373 -60.596 1.00 0.00 H ATOM 510 HH21 ARG A 520 -14.963 -6.061 -60.852 1.00 0.00 H ATOM 511 H ARG A 520 -10.742 -9.864 -58.999 1.00 0.00 H ATOM 512 N ASP A 521 -13.394 -11.060 -56.195 1.00 20.19 N ATOM 513 CA ASP A 521 -13.594 -12.298 -55.464 1.00 24.70 C ATOM 514 C ASP A 521 -14.572 -13.175 -56.229 1.00 28.67 C ATOM 515 O ASP A 521 -15.787 -13.094 -56.036 1.00 30.47 O ATOM 516 CB ASP A 521 -14.142 -11.959 -54.075 1.00 23.22 C ATOM 517 CG ASP A 521 -14.511 -13.187 -53.254 1.00 28.46 C ATOM 518 OD1 ASP A 521 -14.012 -14.306 -53.518 1.00 28.40 O ATOM 519 OD2 ASP A 521 -15.317 -13.015 -52.321 1.00 23.42 O ATOM 520 HA ASP A 521 -12.654 -12.839 -55.355 1.00 0.00 H ATOM 521 HB2 ASP A 521 -13.383 -11.395 -53.532 1.00 0.00 H ATOM 522 HB3 ASP A 521 -15.033 -11.343 -54.196 1.00 0.00 H ATOM 523 H ASP A 521 -13.871 -10.203 -55.849 1.00 0.00 H ATOM 524 N ILE A 522 -14.038 -14.026 -57.095 1.00 24.10 N ATOM 525 CA ILE A 522 -14.884 -14.861 -57.943 1.00 28.96 C ATOM 526 C ILE A 522 -15.669 -15.926 -57.182 1.00 33.05 C ATOM 527 O ILE A 522 -16.661 -16.444 -57.694 1.00 33.41 O ATOM 528 CB ILE A 522 -14.090 -15.502 -59.084 1.00 36.85 C ATOM 529 CG1 ILE A 522 -12.824 -16.171 -58.555 1.00 37.96 C ATOM 530 CG2 ILE A 522 -13.721 -14.446 -60.113 1.00 36.37 C ATOM 531 CD1 ILE A 522 -11.899 -16.643 -59.660 1.00 43.43 C ATOM 532 HA ILE A 522 -15.619 -14.175 -58.364 1.00 0.00 H ATOM 533 HB ILE A 522 -14.714 -16.263 -59.552 1.00 0.00 H ATOM 534 HG12 ILE A 522 -12.286 -15.455 -57.933 1.00 0.00 H ATOM 535 HG13 ILE A 522 -13.112 -17.031 -57.951 1.00 0.00 H ATOM 536 HD11 ILE A 522 -12.421 -17.367 -60.285 1.00 0.00 H ATOM 537 HD12 ILE A 522 -11.595 -15.790 -60.267 1.00 0.00 H ATOM 538 HD13 ILE A 522 -11.018 -17.110 -59.220 1.00 0.00 H ATOM 539 HG21 ILE A 522 -14.630 -13.998 -60.514 1.00 0.00 H ATOM 540 HG22 ILE A 522 -13.113 -13.675 -59.639 1.00 0.00 H ATOM 541 HG23 ILE A 522 -13.156 -14.910 -60.922 1.00 0.00 H ATOM 542 H ILE A 522 -13.003 -14.099 -57.171 1.00 0.00 H ATOM 543 N GLU A 523 -15.243 -16.237 -55.961 1.00 30.75 N ATOM 544 CA GLU A 523 -15.887 -17.295 -55.186 1.00 38.38 C ATOM 545 C GLU A 523 -16.970 -16.773 -54.246 1.00 43.55 C ATOM 546 O GLU A 523 -17.575 -17.551 -53.512 1.00 56.44 O ATOM 547 CB GLU A 523 -14.843 -18.117 -54.419 1.00 39.79 C ATOM 548 CG GLU A 523 -13.773 -18.717 -55.328 1.00 44.40 C ATOM 549 CD GLU A 523 -12.858 -19.695 -54.615 1.00 43.51 C ATOM 550 OE1 GLU A 523 -13.367 -20.644 -53.986 1.00 44.98 O ATOM 551 OE2 GLU A 523 -11.626 -19.515 -54.692 1.00 41.85 O ATOM 552 HA GLU A 523 -16.391 -17.944 -55.902 1.00 0.00 H ATOM 553 HB2 GLU A 523 -14.357 -17.469 -53.690 1.00 0.00 H ATOM 554 HB3 GLU A 523 -15.352 -18.928 -53.899 1.00 0.00 H ATOM 555 HG2 GLU A 523 -14.268 -19.240 -56.147 1.00 0.00 H ATOM 556 HG3 GLU A 523 -13.166 -17.906 -55.731 1.00 0.00 H ATOM 557 H GLU A 523 -14.439 -15.719 -55.552 1.00 0.00 H ATOM 558 N GLY A 524 -17.221 -15.465 -54.288 1.00 31.03 N ATOM 559 CA GLY A 524 -18.264 -14.843 -53.483 1.00 27.13 C ATOM 560 C GLY A 524 -19.229 -14.034 -54.338 1.00 28.71 C ATOM 561 O GLY A 524 -19.887 -14.576 -55.224 1.00 32.40 O ATOM 562 HA3 GLY A 524 -17.799 -14.181 -52.752 1.00 0.00 H ATOM 563 HA2 GLY A 524 -18.821 -15.622 -52.963 1.00 0.00 H ATOM 564 H GLY A 524 -16.651 -14.866 -54.919 1.00 0.00 H ATOM 565 N ARG A 525 -19.311 -12.731 -54.087 1.00 26.61 N ATOM 566 CA ARG A 525 -20.150 -11.867 -54.916 1.00 26.67 C ATOM 567 C ARG A 525 -19.300 -10.881 -55.728 1.00 22.59 C ATOM 568 O ARG A 525 -19.741 -9.781 -56.050 1.00 22.60 O ATOM 569 CB ARG A 525 -21.210 -11.139 -54.079 1.00 26.51 C ATOM 570 CG ARG A 525 -20.676 -10.366 -52.874 1.00 23.36 C ATOM 571 CD ARG A 525 -21.816 -9.630 -52.135 1.00 28.15 C ATOM 572 NE ARG A 525 -22.422 -8.599 -52.982 1.00 26.76 N ATOM 573 CZ ARG A 525 -23.705 -8.560 -53.323 1.00 32.67 C ATOM 574 NH1 ARG A 525 -24.150 -7.594 -54.117 1.00 27.07 N ATOM 575 NH2 ARG A 525 -24.547 -9.483 -52.870 1.00 34.94 N ATOM 576 HA ARG A 525 -20.680 -12.505 -55.623 1.00 0.00 H ATOM 577 HB2 ARG A 525 -21.726 -10.433 -54.730 1.00 0.00 H ATOM 578 HB3 ARG A 525 -21.920 -11.882 -53.715 1.00 0.00 H ATOM 579 HG2 ARG A 525 -20.198 -11.064 -52.186 1.00 0.00 H ATOM 580 HG3 ARG A 525 -19.943 -9.635 -53.216 1.00 0.00 H ATOM 581 HD2 ARG A 525 -21.413 -9.161 -51.238 1.00 0.00 H ATOM 582 HD3 ARG A 525 -22.581 -10.353 -51.853 1.00 0.00 H ATOM 583 HE ARG A 525 -21.803 -7.844 -53.342 1.00 0.00 H ATOM 584 HH12 ARG A 525 -25.154 -7.562 -54.385 1.00 0.00 H ATOM 585 HH11 ARG A 525 -23.494 -6.869 -54.471 1.00 0.00 H ATOM 586 HH22 ARG A 525 -25.551 -9.448 -53.140 1.00 0.00 H ATOM 587 HH21 ARG A 525 -24.202 -10.240 -52.246 1.00 0.00 H ATOM 588 H ARG A 525 -18.774 -12.323 -53.295 1.00 0.00 H ATOM 589 N GLN A 526 -18.075 -11.293 -56.050 1.00 20.36 N ATOM 590 CA GLN A 526 -17.187 -10.503 -56.900 1.00 19.11 C ATOM 591 C GLN A 526 -16.834 -9.135 -56.325 1.00 18.76 C ATOM 592 O GLN A 526 -16.624 -8.173 -57.069 1.00 19.63 O ATOM 593 CB GLN A 526 -17.789 -10.350 -58.304 1.00 21.53 C ATOM 594 CG GLN A 526 -18.045 -11.678 -59.011 1.00 26.75 C ATOM 595 CD GLN A 526 -18.691 -11.491 -60.375 1.00 34.67 C ATOM 596 OE1 GLN A 526 -18.681 -10.393 -60.940 1.00 33.21 O ATOM 597 NE2 GLN A 526 -19.260 -12.560 -60.906 1.00 37.21 N ATOM 598 HA GLN A 526 -16.251 -11.058 -56.954 1.00 0.00 H ATOM 599 HB2 GLN A 526 -18.737 -9.819 -58.216 1.00 0.00 H ATOM 600 HB3 GLN A 526 -17.100 -9.764 -58.912 1.00 0.00 H ATOM 601 HG2 GLN A 526 -17.094 -12.195 -59.141 1.00 0.00 H ATOM 602 HG3 GLN A 526 -18.705 -12.284 -58.390 1.00 0.00 H ATOM 603 HE22 GLN A 526 -19.245 -13.465 -60.395 1.00 0.00 H ATOM 604 HE21 GLN A 526 -19.723 -12.495 -61.835 1.00 0.00 H ATOM 605 H GLN A 526 -17.739 -12.207 -55.684 1.00 0.00 H ATOM 606 N SER A 527 -16.742 -9.047 -55.001 1.00 16.00 N ATOM 607 CA SER A 527 -16.269 -7.823 -54.376 1.00 16.48 C ATOM 608 C SER A 527 -14.818 -7.566 -54.745 1.00 14.70 C ATOM 609 O SER A 527 -14.046 -8.507 -54.907 1.00 16.60 O ATOM 610 CB SER A 527 -16.362 -7.958 -52.851 1.00 15.01 C ATOM 611 OG SER A 527 -17.704 -7.869 -52.434 1.00 20.53 O ATOM 612 HA SER A 527 -16.887 -6.996 -54.725 1.00 0.00 H ATOM 613 HB2 SER A 527 -15.786 -7.160 -52.383 1.00 0.00 H ATOM 614 HB3 SER A 527 -15.955 -8.923 -52.550 1.00 0.00 H ATOM 615 HG SER A 527 -17.749 -7.958 -51.449 1.00 0.00 H ATOM 616 H SER A 527 -17.010 -9.859 -54.409 1.00 0.00 H ATOM 617 N THR A 528 -14.441 -6.290 -54.842 1.00 13.72 N ATOM 618 CA THR A 528 -13.045 -5.910 -54.989 1.00 12.09 C ATOM 619 C THR A 528 -12.440 -5.690 -53.613 1.00 14.67 C ATOM 620 O THR A 528 -13.157 -5.694 -52.611 1.00 17.56 O ATOM 621 CB THR A 528 -12.901 -4.598 -55.792 1.00 15.58 C ATOM 622 OG1 THR A 528 -13.572 -3.533 -55.108 1.00 15.98 O ATOM 623 CG2 THR A 528 -13.490 -4.742 -57.195 1.00 20.22 C ATOM 624 HA THR A 528 -12.533 -6.711 -55.522 1.00 0.00 H ATOM 625 HB THR A 528 -11.838 -4.373 -55.881 1.00 0.00 H ATOM 626 HG1 THR A 528 -14.532 -3.756 -55.014 1.00 0.00 H ATOM 627 HG23 THR A 528 -12.982 -5.552 -57.719 1.00 0.00 H ATOM 628 HG21 THR A 528 -14.554 -4.967 -57.120 1.00 0.00 H ATOM 629 HG22 THR A 528 -13.352 -3.810 -57.743 1.00 0.00 H ATOM 630 H THR A 528 -15.166 -5.545 -54.812 1.00 0.00 H ATOM 631 N PRO A 529 -11.122 -5.482 -53.552 1.00 15.02 N ATOM 632 CA PRO A 529 -10.500 -5.113 -52.277 1.00 13.23 C ATOM 633 C PRO A 529 -11.168 -3.902 -51.617 1.00 17.59 C ATOM 634 O PRO A 529 -11.403 -3.935 -50.415 1.00 14.76 O ATOM 635 CB PRO A 529 -9.062 -4.804 -52.684 1.00 16.31 C ATOM 636 CG PRO A 529 -8.817 -5.760 -53.836 1.00 16.96 C ATOM 637 CD PRO A 529 -10.114 -5.685 -54.613 1.00 12.15 C ATOM 638 HA PRO A 529 -10.587 -5.900 -51.528 1.00 0.00 H ATOM 639 HD3 PRO A 529 -10.105 -4.848 -55.312 1.00 0.00 H ATOM 640 HD2 PRO A 529 -10.299 -6.610 -55.159 1.00 0.00 H ATOM 641 HG3 PRO A 529 -8.633 -6.772 -53.475 1.00 0.00 H ATOM 642 HG2 PRO A 529 -7.974 -5.434 -54.445 1.00 0.00 H ATOM 643 HB2 PRO A 529 -8.960 -3.768 -53.007 1.00 0.00 H ATOM 644 HB3 PRO A 529 -8.372 -4.996 -51.862 1.00 0.00 H ATOM 645 N LEU A 530 -11.491 -2.872 -52.395 1.00 11.57 N ATOM 646 CA LEU A 530 -12.164 -1.685 -51.841 1.00 13.51 C ATOM 647 C LEU A 530 -13.562 -1.988 -51.285 1.00 12.40 C ATOM 648 O LEU A 530 -13.972 -1.409 -50.283 1.00 13.34 O ATOM 649 CB LEU A 530 -12.215 -0.570 -52.890 1.00 13.80 C ATOM 650 CG LEU A 530 -12.804 0.775 -52.458 1.00 13.46 C ATOM 651 CD1 LEU A 530 -12.067 1.297 -51.231 1.00 16.04 C ATOM 652 CD2 LEU A 530 -12.703 1.785 -53.610 1.00 14.67 C ATOM 653 HA LEU A 530 -11.571 -1.350 -50.990 1.00 0.00 H ATOM 654 HB2 LEU A 530 -11.194 -0.388 -53.224 1.00 0.00 H ATOM 655 HB3 LEU A 530 -12.811 -0.935 -53.727 1.00 0.00 H ATOM 656 HG LEU A 530 -13.855 0.638 -52.203 1.00 0.00 H ATOM 657 HD21 LEU A 530 -11.656 1.921 -53.881 1.00 0.00 H ATOM 658 HD22 LEU A 530 -13.257 1.409 -54.470 1.00 0.00 H ATOM 659 HD23 LEU A 530 -13.125 2.739 -53.293 1.00 0.00 H ATOM 660 HD11 LEU A 530 -12.170 0.581 -50.415 1.00 0.00 H ATOM 661 HD12 LEU A 530 -11.012 1.427 -51.471 1.00 0.00 H ATOM 662 HD13 LEU A 530 -12.494 2.254 -50.932 1.00 0.00 H ATOM 663 H LEU A 530 -11.265 -2.906 -53.410 1.00 0.00 H ATOM 664 N HIS A 531 -14.304 -2.891 -51.929 1.00 11.40 N ATOM 665 CA HIS A 531 -15.600 -3.300 -51.404 1.00 11.55 C ATOM 666 C HIS A 531 -15.404 -3.902 -50.017 1.00 14.38 C ATOM 667 O HIS A 531 -16.136 -3.581 -49.076 1.00 14.77 O ATOM 668 CB HIS A 531 -16.269 -4.362 -52.296 1.00 12.78 C ATOM 669 CG HIS A 531 -16.932 -3.819 -53.532 1.00 15.03 C ATOM 670 ND1 HIS A 531 -16.286 -3.751 -54.752 1.00 13.47 N ATOM 671 CD2 HIS A 531 -18.199 -3.404 -53.760 1.00 14.21 C ATOM 672 CE1 HIS A 531 -17.114 -3.278 -55.665 1.00 13.31 C ATOM 673 NE2 HIS A 531 -18.286 -3.058 -55.092 1.00 16.10 N ATOM 674 HA HIS A 531 -16.240 -2.418 -51.371 1.00 0.00 H ATOM 675 HB2 HIS A 531 -15.505 -5.075 -52.606 1.00 0.00 H ATOM 676 HB3 HIS A 531 -17.025 -4.876 -51.703 1.00 0.00 H ATOM 677 HD2 HIS A 531 -19.003 -3.353 -53.026 1.00 0.00 H ATOM 678 HE1 HIS A 531 -16.873 -3.099 -56.713 1.00 0.00 H ATOM 679 H HIS A 531 -13.953 -3.307 -52.815 1.00 0.00 H ATOM 680 N PHE A 532 -14.442 -4.815 -49.899 1.00 11.84 N ATOM 681 CA PHE A 532 -14.203 -5.477 -48.620 1.00 12.41 C ATOM 682 C PHE A 532 -13.762 -4.486 -47.543 1.00 13.09 C ATOM 683 O PHE A 532 -14.285 -4.486 -46.418 1.00 12.85 O ATOM 684 CB PHE A 532 -13.171 -6.600 -48.760 1.00 16.06 C ATOM 685 CG PHE A 532 -13.747 -7.908 -49.252 1.00 18.65 C ATOM 686 CD1 PHE A 532 -14.606 -8.651 -48.450 1.00 17.39 C ATOM 687 CD2 PHE A 532 -13.417 -8.399 -50.505 1.00 15.98 C ATOM 688 CE1 PHE A 532 -15.138 -9.842 -48.895 1.00 21.52 C ATOM 689 CE2 PHE A 532 -13.942 -9.594 -50.957 1.00 20.01 C ATOM 690 CZ PHE A 532 -14.807 -10.316 -50.150 1.00 24.72 C ATOM 691 HA PHE A 532 -15.151 -5.915 -48.308 1.00 0.00 H ATOM 692 HB2 PHE A 532 -12.405 -6.276 -49.465 1.00 0.00 H ATOM 693 HB3 PHE A 532 -12.716 -6.771 -47.784 1.00 0.00 H ATOM 694 HD2 PHE A 532 -12.735 -7.835 -51.142 1.00 0.00 H ATOM 695 HE2 PHE A 532 -13.677 -9.968 -51.946 1.00 0.00 H ATOM 696 HZ PHE A 532 -15.226 -11.257 -50.505 1.00 0.00 H ATOM 697 HE1 PHE A 532 -15.818 -10.408 -48.259 1.00 0.00 H ATOM 698 HD1 PHE A 532 -14.862 -8.286 -47.455 1.00 0.00 H ATOM 699 H PHE A 532 -13.857 -5.058 -50.724 1.00 0.00 H ATOM 700 N ALA A 533 -12.809 -3.628 -47.892 1.00 14.47 N ATOM 701 CA ALA A 533 -12.297 -2.651 -46.937 1.00 18.06 C ATOM 702 C ALA A 533 -13.397 -1.692 -46.501 1.00 14.88 C ATOM 703 O ALA A 533 -13.495 -1.344 -45.311 1.00 12.90 O ATOM 704 CB ALA A 533 -11.138 -1.891 -47.534 1.00 15.13 C ATOM 705 HA ALA A 533 -11.945 -3.186 -46.055 1.00 0.00 H ATOM 706 HB1 ALA A 533 -10.341 -2.589 -47.791 1.00 0.00 H ATOM 707 HB2 ALA A 533 -11.471 -1.371 -48.432 1.00 0.00 H ATOM 708 HB3 ALA A 533 -10.768 -1.166 -46.809 1.00 0.00 H ATOM 709 H ALA A 533 -12.423 -3.653 -48.858 1.00 0.00 H ATOM 710 N ALA A 534 -14.218 -1.264 -47.460 1.00 14.86 N ATOM 711 CA ALA A 534 -15.326 -0.349 -47.158 1.00 16.40 C ATOM 712 C ALA A 534 -16.397 -1.016 -46.301 1.00 17.66 C ATOM 713 O ALA A 534 -16.877 -0.426 -45.329 1.00 14.00 O ATOM 714 CB ALA A 534 -15.938 0.251 -48.447 1.00 13.22 C ATOM 715 HA ALA A 534 -14.907 0.472 -46.576 1.00 0.00 H ATOM 716 HB1 ALA A 534 -15.171 0.805 -48.988 1.00 0.00 H ATOM 717 HB2 ALA A 534 -16.318 -0.554 -49.076 1.00 0.00 H ATOM 718 HB3 ALA A 534 -16.755 0.923 -48.182 1.00 0.00 H ATOM 719 H ALA A 534 -14.071 -1.584 -48.439 1.00 0.00 H ATOM 720 N GLY A 535 -16.756 -2.255 -46.632 1.00 12.85 N ATOM 721 CA GLY A 535 -17.796 -2.944 -45.893 1.00 11.70 C ATOM 722 C GLY A 535 -17.378 -3.326 -44.476 1.00 16.23 C ATOM 723 O GLY A 535 -18.223 -3.362 -43.575 1.00 14.63 O ATOM 724 HA3 GLY A 535 -18.060 -3.853 -46.433 1.00 0.00 H ATOM 725 HA2 GLY A 535 -18.668 -2.292 -45.833 1.00 0.00 H ATOM 726 H GLY A 535 -16.286 -2.733 -47.428 1.00 0.00 H ATOM 727 N TYR A 536 -16.091 -3.617 -44.281 1.00 14.57 N ATOM 728 CA TYR A 536 -15.601 -4.043 -42.967 1.00 12.25 C ATOM 729 C TYR A 536 -14.902 -2.913 -42.204 1.00 15.53 C ATOM 730 O TYR A 536 -14.188 -3.153 -41.219 1.00 12.80 O ATOM 731 CB TYR A 536 -14.710 -5.274 -43.096 1.00 17.05 C ATOM 732 CG TYR A 536 -15.495 -6.515 -43.444 1.00 23.59 C ATOM 733 CD1 TYR A 536 -16.107 -7.272 -42.444 1.00 27.37 C ATOM 734 CD2 TYR A 536 -15.633 -6.934 -44.764 1.00 23.90 C ATOM 735 CE1 TYR A 536 -16.831 -8.403 -42.745 1.00 25.92 C ATOM 736 CE2 TYR A 536 -16.369 -8.076 -45.080 1.00 14.10 C ATOM 737 CZ TYR A 536 -16.958 -8.805 -44.065 1.00 24.42 C ATOM 738 OH TYR A 536 -17.686 -9.938 -44.343 1.00 19.50 O ATOM 739 HA TYR A 536 -16.472 -4.316 -42.371 1.00 0.00 H ATOM 740 HB3 TYR A 536 -14.198 -5.437 -42.148 1.00 0.00 H ATOM 741 HB2 TYR A 536 -13.974 -5.094 -43.879 1.00 0.00 H ATOM 742 HD2 TYR A 536 -15.159 -6.362 -45.562 1.00 0.00 H ATOM 743 HE2 TYR A 536 -16.478 -8.390 -46.118 1.00 0.00 H ATOM 744 HE1 TYR A 536 -17.302 -8.980 -41.949 1.00 0.00 H ATOM 745 HD1 TYR A 536 -16.010 -6.961 -41.404 1.00 0.00 H ATOM 746 HH TYR A 536 -18.446 -9.704 -44.933 1.00 0.00 H ATOM 747 H TYR A 536 -15.424 -3.540 -45.075 1.00 0.00 H ATOM 748 N ASN A 537 -15.155 -1.690 -42.663 1.00 13.90 N ATOM 749 CA ASN A 537 -14.742 -0.459 -41.966 1.00 17.40 C ATOM 750 C ASN A 537 -13.241 -0.416 -41.705 1.00 14.09 C ATOM 751 O ASN A 537 -12.787 -0.115 -40.595 1.00 16.99 O ATOM 752 CB ASN A 537 -15.536 -0.303 -40.654 1.00 11.52 C ATOM 753 CG ASN A 537 -15.570 1.129 -40.155 1.00 15.04 C ATOM 754 OD1 ASN A 537 -15.034 2.040 -40.798 1.00 15.82 O ATOM 755 ND2 ASN A 537 -16.180 1.333 -38.995 1.00 14.40 N ATOM 756 HA ASN A 537 -14.968 0.382 -42.621 1.00 0.00 H ATOM 757 HB2 ASN A 537 -16.559 -0.637 -40.824 1.00 0.00 H ATOM 758 HB3 ASN A 537 -15.073 -0.928 -39.890 1.00 0.00 H ATOM 759 HD22 ASN A 537 -16.617 0.536 -38.490 1.00 0.00 H ATOM 760 HD21 ASN A 537 -16.221 2.290 -38.591 1.00 0.00 H ATOM 761 H ASN A 537 -15.671 -1.598 -43.561 1.00 0.00 H ATOM 762 N ARG A 538 -12.466 -0.736 -42.735 1.00 14.60 N ATOM 763 CA ARG A 538 -11.018 -0.750 -42.631 1.00 16.96 C ATOM 764 C ARG A 538 -10.454 0.555 -43.194 1.00 18.74 C ATOM 765 O ARG A 538 -10.031 0.618 -44.359 1.00 18.64 O ATOM 766 CB ARG A 538 -10.454 -1.949 -43.387 1.00 12.69 C ATOM 767 CG ARG A 538 -11.100 -3.303 -42.981 1.00 13.94 C ATOM 768 CD ARG A 538 -11.039 -3.543 -41.454 1.00 20.08 C ATOM 769 NE ARG A 538 -11.365 -4.940 -41.143 1.00 21.32 N ATOM 770 CZ ARG A 538 -11.618 -5.400 -39.918 1.00 25.46 C ATOM 771 NH1 ARG A 538 -11.584 -4.578 -38.879 1.00 24.38 N ATOM 772 NH2 ARG A 538 -11.904 -6.687 -39.735 1.00 25.21 N ATOM 773 HA ARG A 538 -10.728 -0.836 -41.584 1.00 0.00 H ATOM 774 HB2 ARG A 538 -10.621 -1.794 -44.453 1.00 0.00 H ATOM 775 HB3 ARG A 538 -9.383 -2.006 -43.193 1.00 0.00 H ATOM 776 HG2 ARG A 538 -12.144 -3.303 -43.296 1.00 0.00 H ATOM 777 HG3 ARG A 538 -10.570 -4.111 -43.485 1.00 0.00 H ATOM 778 HD2 ARG A 538 -11.755 -2.888 -40.958 1.00 0.00 H ATOM 779 HD3 ARG A 538 -10.034 -3.320 -41.095 1.00 0.00 H ATOM 780 HE ARG A 538 -11.401 -5.617 -41.932 1.00 0.00 H ATOM 781 HH12 ARG A 538 -11.782 -4.939 -37.924 1.00 0.00 H ATOM 782 HH11 ARG A 538 -11.360 -3.572 -39.019 1.00 0.00 H ATOM 783 HH22 ARG A 538 -12.101 -7.045 -38.779 1.00 0.00 H ATOM 784 HH21 ARG A 538 -11.930 -7.335 -40.548 1.00 0.00 H ATOM 785 H ARG A 538 -12.909 -0.984 -43.643 1.00 0.00 H ATOM 786 N VAL A 539 -10.432 1.589 -42.360 1.00 20.80 N ATOM 787 CA VAL A 539 -10.155 2.938 -42.840 1.00 19.65 C ATOM 788 C VAL A 539 -8.761 3.086 -43.469 1.00 21.57 C ATOM 789 O VAL A 539 -8.620 3.634 -44.568 1.00 16.19 O ATOM 790 CB VAL A 539 -10.405 3.973 -41.736 1.00 22.52 C ATOM 791 CG1 VAL A 539 -9.773 5.325 -42.067 1.00 23.84 C ATOM 792 CG2 VAL A 539 -11.919 4.094 -41.487 1.00 20.93 C ATOM 793 HA VAL A 539 -10.857 3.133 -43.650 1.00 0.00 H ATOM 794 HB VAL A 539 -9.923 3.632 -40.820 1.00 0.00 H ATOM 795 HG11 VAL A 539 -8.696 5.203 -42.183 1.00 0.00 H ATOM 796 HG12 VAL A 539 -10.199 5.706 -42.995 1.00 0.00 H ATOM 797 HG13 VAL A 539 -9.975 6.027 -41.258 1.00 0.00 H ATOM 798 HG21 VAL A 539 -12.413 4.412 -42.405 1.00 0.00 H ATOM 799 HG22 VAL A 539 -12.313 3.126 -41.177 1.00 0.00 H ATOM 800 HG23 VAL A 539 -12.099 4.829 -40.703 1.00 0.00 H ATOM 801 H VAL A 539 -10.615 1.434 -41.348 1.00 0.00 H ATOM 802 N SER A 540 -7.741 2.592 -42.778 1.00 19.77 N ATOM 803 CA SER A 540 -6.377 2.673 -43.296 1.00 20.42 C ATOM 804 C SER A 540 -6.282 1.995 -44.663 1.00 20.86 C ATOM 805 O SER A 540 -5.658 2.518 -45.596 1.00 18.56 O ATOM 806 CB SER A 540 -5.392 2.034 -42.317 1.00 23.80 C ATOM 807 OG SER A 540 -5.455 2.667 -41.053 1.00 26.45 O ATOM 808 HA SER A 540 -6.117 3.725 -43.412 1.00 0.00 H ATOM 809 HB2 SER A 540 -4.381 2.129 -42.714 1.00 0.00 H ATOM 810 HB3 SER A 540 -5.638 0.978 -42.201 1.00 0.00 H ATOM 811 HG SER A 540 -4.810 2.237 -40.437 1.00 0.00 H ATOM 812 H SER A 540 -7.915 2.142 -41.857 1.00 0.00 H ATOM 813 N VAL A 541 -6.913 0.833 -44.784 1.00 14.68 N ATOM 814 CA VAL A 541 -6.932 0.121 -46.071 1.00 18.03 C ATOM 815 C VAL A 541 -7.702 0.895 -47.142 1.00 18.03 C ATOM 816 O VAL A 541 -7.224 1.056 -48.268 1.00 15.38 O ATOM 817 CB VAL A 541 -7.475 -1.322 -45.945 1.00 16.91 C ATOM 818 CG1 VAL A 541 -7.575 -1.960 -47.334 1.00 16.34 C ATOM 819 CG2 VAL A 541 -6.557 -2.155 -45.027 1.00 16.06 C ATOM 820 HA VAL A 541 -5.891 0.050 -46.388 1.00 0.00 H ATOM 821 HB VAL A 541 -8.470 -1.295 -45.501 1.00 0.00 H ATOM 822 HG11 VAL A 541 -8.251 -1.372 -47.955 1.00 0.00 H ATOM 823 HG12 VAL A 541 -6.587 -1.984 -47.793 1.00 0.00 H ATOM 824 HG13 VAL A 541 -7.958 -2.976 -47.239 1.00 0.00 H ATOM 825 HG21 VAL A 541 -5.553 -2.185 -45.450 1.00 0.00 H ATOM 826 HG22 VAL A 541 -6.522 -1.697 -44.038 1.00 0.00 H ATOM 827 HG23 VAL A 541 -6.949 -3.169 -44.946 1.00 0.00 H ATOM 828 H VAL A 541 -7.398 0.422 -43.961 1.00 0.00 H ATOM 829 N VAL A 542 -8.878 1.404 -46.795 1.00 14.17 N ATOM 830 CA VAL A 542 -9.626 2.230 -47.746 1.00 13.04 C ATOM 831 C VAL A 542 -8.776 3.395 -48.255 1.00 15.51 C ATOM 832 O VAL A 542 -8.698 3.633 -49.468 1.00 16.47 O ATOM 833 CB VAL A 542 -10.957 2.736 -47.151 1.00 13.93 C ATOM 834 CG1 VAL A 542 -11.559 3.826 -48.041 1.00 14.16 C ATOM 835 CG2 VAL A 542 -11.926 1.551 -46.985 1.00 12.48 C ATOM 836 HA VAL A 542 -9.873 1.593 -48.596 1.00 0.00 H ATOM 837 HB VAL A 542 -10.774 3.176 -46.171 1.00 0.00 H ATOM 838 HG11 VAL A 542 -10.862 4.661 -48.113 1.00 0.00 H ATOM 839 HG12 VAL A 542 -11.746 3.420 -49.035 1.00 0.00 H ATOM 840 HG13 VAL A 542 -12.497 4.171 -47.606 1.00 0.00 H ATOM 841 HG21 VAL A 542 -12.111 1.096 -47.958 1.00 0.00 H ATOM 842 HG22 VAL A 542 -11.484 0.813 -46.315 1.00 0.00 H ATOM 843 HG23 VAL A 542 -12.866 1.908 -46.565 1.00 0.00 H ATOM 844 H VAL A 542 -9.268 1.217 -45.849 1.00 0.00 H ATOM 845 N GLU A 543 -8.133 4.115 -47.341 1.00 16.59 N ATOM 846 CA GLU A 543 -7.301 5.252 -47.735 1.00 19.75 C ATOM 847 C GLU A 543 -6.170 4.804 -48.674 1.00 21.97 C ATOM 848 O GLU A 543 -5.948 5.401 -49.736 1.00 18.99 O ATOM 849 CB GLU A 543 -6.726 5.956 -46.504 1.00 24.58 C ATOM 850 CG GLU A 543 -5.989 7.256 -46.812 1.00 34.14 C ATOM 851 CD GLU A 543 -6.934 8.408 -47.118 1.00 46.37 C ATOM 852 OE1 GLU A 543 -7.719 8.305 -48.087 1.00 48.47 O ATOM 853 OE2 GLU A 543 -6.893 9.413 -46.375 1.00 51.94 O ATOM 854 HA GLU A 543 -7.932 5.959 -48.273 1.00 0.00 H ATOM 855 HB2 GLU A 543 -7.548 6.182 -45.824 1.00 0.00 H ATOM 856 HB3 GLU A 543 -6.029 5.275 -46.016 1.00 0.00 H ATOM 857 HG2 GLU A 543 -5.379 7.524 -45.949 1.00 0.00 H ATOM 858 HG3 GLU A 543 -5.344 7.095 -47.676 1.00 0.00 H ATOM 859 H GLU A 543 -8.222 3.867 -46.335 1.00 0.00 H ATOM 860 N TYR A 544 -5.457 3.750 -48.291 1.00 19.34 N ATOM 861 CA TYR A 544 -4.380 3.261 -49.143 1.00 18.15 C ATOM 862 C TYR A 544 -4.899 2.886 -50.527 1.00 15.78 C ATOM 863 O TYR A 544 -4.326 3.296 -51.554 1.00 17.21 O ATOM 864 CB TYR A 544 -3.673 2.060 -48.524 1.00 18.18 C ATOM 865 CG TYR A 544 -2.647 1.467 -49.467 1.00 20.68 C ATOM 866 CD1 TYR A 544 -1.334 1.921 -49.467 1.00 22.42 C ATOM 867 CD2 TYR A 544 -2.994 0.472 -50.365 1.00 21.73 C ATOM 868 CE1 TYR A 544 -0.392 1.392 -50.342 1.00 26.90 C ATOM 869 CE2 TYR A 544 -2.051 -0.069 -51.239 1.00 20.22 C ATOM 870 CZ TYR A 544 -0.766 0.399 -51.232 1.00 20.43 C ATOM 871 OH TYR A 544 0.170 -0.137 -52.103 1.00 21.85 O ATOM 872 HA TYR A 544 -3.662 4.075 -49.240 1.00 0.00 H ATOM 873 HB3 TYR A 544 -4.415 1.298 -48.284 1.00 0.00 H ATOM 874 HB2 TYR A 544 -3.171 2.378 -47.610 1.00 0.00 H ATOM 875 HD2 TYR A 544 -4.020 0.106 -50.389 1.00 0.00 H ATOM 876 HE2 TYR A 544 -2.338 -0.864 -51.927 1.00 0.00 H ATOM 877 HE1 TYR A 544 0.635 1.757 -50.328 1.00 0.00 H ATOM 878 HD1 TYR A 544 -1.038 2.705 -48.770 1.00 0.00 H ATOM 879 HH TYR A 544 -0.131 0.002 -53.036 1.00 0.00 H ATOM 880 H TYR A 544 -5.666 3.277 -47.389 1.00 0.00 H ATOM 881 N LEU A 545 -5.961 2.086 -50.560 1.00 15.15 N ATOM 882 CA LEU A 545 -6.528 1.636 -51.839 1.00 16.24 C ATOM 883 C LEU A 545 -6.921 2.806 -52.730 1.00 19.60 C ATOM 884 O LEU A 545 -6.585 2.836 -53.921 1.00 17.10 O ATOM 885 CB LEU A 545 -7.720 0.709 -51.613 1.00 13.56 C ATOM 886 CG LEU A 545 -7.358 -0.670 -51.041 1.00 15.62 C ATOM 887 CD1 LEU A 545 -8.617 -1.451 -50.670 1.00 14.30 C ATOM 888 CD2 LEU A 545 -6.505 -1.476 -52.017 1.00 16.88 C ATOM 889 HA LEU A 545 -5.748 1.077 -52.356 1.00 0.00 H ATOM 890 HB2 LEU A 545 -8.404 1.197 -50.918 1.00 0.00 H ATOM 891 HB3 LEU A 545 -8.221 0.560 -52.569 1.00 0.00 H ATOM 892 HG LEU A 545 -6.770 -0.504 -50.139 1.00 0.00 H ATOM 893 HD21 LEU A 545 -7.057 -1.622 -52.945 1.00 0.00 H ATOM 894 HD22 LEU A 545 -5.582 -0.935 -52.223 1.00 0.00 H ATOM 895 HD23 LEU A 545 -6.269 -2.445 -51.577 1.00 0.00 H ATOM 896 HD11 LEU A 545 -9.180 -0.896 -49.920 1.00 0.00 H ATOM 897 HD12 LEU A 545 -9.232 -1.589 -51.559 1.00 0.00 H ATOM 898 HD13 LEU A 545 -8.334 -2.424 -50.267 1.00 0.00 H ATOM 899 H LEU A 545 -6.396 1.775 -49.668 1.00 0.00 H ATOM 900 N LEU A 546 -7.615 3.785 -52.156 1.00 14.34 N ATOM 901 CA LEU A 546 -8.044 4.944 -52.927 1.00 16.31 C ATOM 902 C LEU A 546 -6.856 5.704 -53.526 1.00 22.96 C ATOM 903 O LEU A 546 -6.951 6.278 -54.611 1.00 21.12 O ATOM 904 CB LEU A 546 -8.884 5.885 -52.053 1.00 16.77 C ATOM 905 CG LEU A 546 -10.278 5.379 -51.672 1.00 18.86 C ATOM 906 CD1 LEU A 546 -10.959 6.369 -50.733 1.00 24.71 C ATOM 907 CD2 LEU A 546 -11.122 5.139 -52.941 1.00 16.01 C ATOM 908 HA LEU A 546 -8.654 4.578 -53.753 1.00 0.00 H ATOM 909 HB2 LEU A 546 -8.331 6.067 -51.131 1.00 0.00 H ATOM 910 HB3 LEU A 546 -9.006 6.824 -52.594 1.00 0.00 H ATOM 911 HG LEU A 546 -10.182 4.429 -51.147 1.00 0.00 H ATOM 912 HD21 LEU A 546 -11.219 6.074 -53.493 1.00 0.00 H ATOM 913 HD22 LEU A 546 -10.630 4.395 -53.568 1.00 0.00 H ATOM 914 HD23 LEU A 546 -12.111 4.779 -52.656 1.00 0.00 H ATOM 915 HD11 LEU A 546 -10.360 6.481 -49.829 1.00 0.00 H ATOM 916 HD12 LEU A 546 -11.053 7.334 -51.231 1.00 0.00 H ATOM 917 HD13 LEU A 546 -11.949 5.997 -50.470 1.00 0.00 H ATOM 918 H LEU A 546 -7.854 3.722 -51.146 1.00 0.00 H ATOM 919 N GLN A 547 -5.735 5.708 -52.814 1.00 22.58 N ATOM 920 CA GLN A 547 -4.566 6.449 -53.262 1.00 20.52 C ATOM 921 C GLN A 547 -3.723 5.642 -54.244 1.00 20.13 C ATOM 922 O GLN A 547 -2.764 6.159 -54.810 1.00 22.16 O ATOM 923 CB GLN A 547 -3.727 6.904 -52.058 1.00 24.85 C ATOM 924 CG GLN A 547 -4.372 8.063 -51.301 1.00 34.21 C ATOM 925 CD GLN A 547 -3.713 8.348 -49.967 1.00 51.04 C ATOM 926 OE1 GLN A 547 -2.704 7.735 -49.610 1.00 60.03 O ATOM 927 NE2 GLN A 547 -4.288 9.279 -49.213 1.00 57.03 N ATOM 928 HA GLN A 547 -4.917 7.333 -53.795 1.00 0.00 H ATOM 929 HB2 GLN A 547 -3.609 6.062 -51.375 1.00 0.00 H ATOM 930 HB3 GLN A 547 -2.747 7.221 -52.414 1.00 0.00 H ATOM 931 HG2 GLN A 547 -4.306 8.959 -51.918 1.00 0.00 H ATOM 932 HG3 GLN A 547 -5.420 7.821 -51.125 1.00 0.00 H ATOM 933 HE22 GLN A 547 -5.138 9.772 -49.553 1.00 0.00 H ATOM 934 HE21 GLN A 547 -3.888 9.515 -48.283 1.00 0.00 H ATOM 935 H GLN A 547 -5.692 5.173 -51.923 1.00 0.00 H ATOM 936 N HIS A 548 -4.098 4.383 -54.452 1.00 18.79 N ATOM 937 CA HIS A 548 -3.324 3.480 -55.311 1.00 20.72 C ATOM 938 C HIS A 548 -4.163 2.801 -56.397 1.00 21.04 C ATOM 939 O HIS A 548 -3.948 1.630 -56.718 1.00 21.24 O ATOM 940 CB HIS A 548 -2.581 2.438 -54.469 1.00 15.40 C ATOM 941 CG HIS A 548 -1.524 3.038 -53.599 1.00 16.52 C ATOM 942 ND1 HIS A 548 -1.813 3.650 -52.396 1.00 19.80 N ATOM 943 CD2 HIS A 548 -0.189 3.177 -53.780 1.00 21.38 C ATOM 944 CE1 HIS A 548 -0.699 4.130 -51.869 1.00 22.29 C ATOM 945 NE2 HIS A 548 0.304 3.847 -52.684 1.00 24.78 N ATOM 946 HA HIS A 548 -2.599 4.104 -55.834 1.00 0.00 H ATOM 947 HB2 HIS A 548 -3.303 1.924 -53.835 1.00 0.00 H ATOM 948 HB3 HIS A 548 -2.112 1.719 -55.140 1.00 0.00 H ATOM 949 HD2 HIS A 548 0.388 2.824 -54.635 1.00 0.00 H ATOM 950 HE1 HIS A 548 -0.621 4.667 -50.924 1.00 0.00 H ATOM 951 H HIS A 548 -4.962 4.030 -53.994 1.00 0.00 H ATOM 952 N GLY A 549 -5.113 3.547 -56.952 1.00 21.99 N ATOM 953 CA GLY A 549 -5.829 3.110 -58.142 1.00 21.53 C ATOM 954 C GLY A 549 -7.118 2.326 -57.959 1.00 19.33 C ATOM 955 O GLY A 549 -7.683 1.856 -58.946 1.00 16.81 O ATOM 956 HA3 GLY A 549 -5.148 2.482 -58.717 1.00 0.00 H ATOM 957 HA2 GLY A 549 -6.073 4.002 -58.719 1.00 0.00 H ATOM 958 H GLY A 549 -5.351 4.465 -56.526 1.00 0.00 H ATOM 959 N ALA A 550 -7.593 2.164 -56.724 1.00 14.92 N ATOM 960 CA ALA A 550 -8.858 1.464 -56.507 1.00 15.39 C ATOM 961 C ALA A 550 -10.003 2.236 -57.134 1.00 18.16 C ATOM 962 O ALA A 550 -10.019 3.470 -57.103 1.00 17.86 O ATOM 963 CB ALA A 550 -9.127 1.252 -55.044 1.00 12.75 C ATOM 964 HA ALA A 550 -8.779 0.486 -56.982 1.00 0.00 H ATOM 965 HB1 ALA A 550 -8.324 0.656 -54.611 1.00 0.00 H ATOM 966 HB2 ALA A 550 -9.176 2.218 -54.541 1.00 0.00 H ATOM 967 HB3 ALA A 550 -10.076 0.729 -54.922 1.00 0.00 H ATOM 968 H ALA A 550 -7.062 2.537 -55.912 1.00 0.00 H ATOM 969 N ASP A 551 -10.959 1.498 -57.687 1.00 14.35 N ATOM 970 CA ASP A 551 -12.051 2.070 -58.482 1.00 18.02 C ATOM 971 C ASP A 551 -13.335 2.248 -57.663 1.00 16.12 C ATOM 972 O ASP A 551 -14.016 1.268 -57.340 1.00 15.34 O ATOM 973 CB ASP A 551 -12.329 1.150 -59.676 1.00 14.37 C ATOM 974 CG ASP A 551 -13.224 1.796 -60.729 1.00 22.68 C ATOM 975 OD1 ASP A 551 -13.786 2.886 -60.476 1.00 18.86 O ATOM 976 OD2 ASP A 551 -13.364 1.208 -61.820 1.00 26.38 O ATOM 977 HA ASP A 551 -11.741 3.059 -58.818 1.00 0.00 H ATOM 978 HB2 ASP A 551 -11.379 0.887 -60.141 1.00 0.00 H ATOM 979 HB3 ASP A 551 -12.817 0.246 -59.312 1.00 0.00 H ATOM 980 H ASP A 551 -10.932 0.467 -57.550 1.00 0.00 H ATOM 981 N VAL A 552 -13.669 3.497 -57.339 1.00 14.65 N ATOM 982 CA VAL A 552 -14.914 3.795 -56.623 1.00 14.49 C ATOM 983 C VAL A 552 -16.157 3.497 -57.448 1.00 15.21 C ATOM 984 O VAL A 552 -17.257 3.440 -56.908 1.00 16.51 O ATOM 985 CB VAL A 552 -14.990 5.267 -56.130 1.00 13.20 C ATOM 986 CG1 VAL A 552 -13.900 5.552 -55.078 1.00 13.50 C ATOM 987 CG2 VAL A 552 -14.933 6.239 -57.298 1.00 17.92 C ATOM 988 HA VAL A 552 -14.893 3.131 -55.759 1.00 0.00 H ATOM 989 HB VAL A 552 -15.953 5.416 -55.641 1.00 0.00 H ATOM 990 HG11 VAL A 552 -14.038 4.888 -54.224 1.00 0.00 H ATOM 991 HG12 VAL A 552 -12.918 5.380 -55.518 1.00 0.00 H ATOM 992 HG13 VAL A 552 -13.976 6.589 -54.750 1.00 0.00 H ATOM 993 HG21 VAL A 552 -13.997 6.100 -57.839 1.00 0.00 H ATOM 994 HG22 VAL A 552 -15.773 6.051 -57.967 1.00 0.00 H ATOM 995 HG23 VAL A 552 -14.988 7.261 -56.922 1.00 0.00 H ATOM 996 H VAL A 552 -13.033 4.277 -57.600 1.00 0.00 H ATOM 997 N HIS A 553 -15.976 3.294 -58.756 1.00 14.00 N ATOM 998 CA HIS A 553 -17.084 2.934 -59.638 1.00 17.34 C ATOM 999 C HIS A 553 -17.235 1.421 -59.884 1.00 17.51 C ATOM 1000 O HIS A 553 -18.172 0.997 -60.561 1.00 16.58 O ATOM 1001 CB HIS A 553 -16.928 3.634 -60.987 1.00 17.57 C ATOM 1002 CG HIS A 553 -16.528 5.074 -60.878 1.00 22.83 C ATOM 1003 ND1 HIS A 553 -15.221 5.497 -61.020 1.00 26.38 N ATOM 1004 CD2 HIS A 553 -17.262 6.190 -60.648 1.00 22.77 C ATOM 1005 CE1 HIS A 553 -15.172 6.813 -60.896 1.00 27.90 C ATOM 1006 NE2 HIS A 553 -16.395 7.257 -60.662 1.00 26.13 N ATOM 1007 HA HIS A 553 -17.985 3.262 -59.119 1.00 0.00 H ATOM 1008 HB2 HIS A 553 -16.166 3.108 -61.562 1.00 0.00 H ATOM 1009 HB3 HIS A 553 -17.880 3.580 -61.515 1.00 0.00 H ATOM 1010 HD2 HIS A 553 -18.339 6.233 -60.483 1.00 0.00 H ATOM 1011 HE1 HIS A 553 -14.275 7.427 -60.974 1.00 0.00 H ATOM 1012 H HIS A 553 -15.022 3.395 -59.157 1.00 0.00 H ATOM 1013 N ALA A 554 -16.322 0.611 -59.362 1.00 16.01 N ATOM 1014 CA ALA A 554 -16.399 -0.841 -59.596 1.00 19.07 C ATOM 1015 C ALA A 554 -17.637 -1.469 -58.963 1.00 20.49 C ATOM 1016 O ALA A 554 -17.953 -1.227 -57.796 1.00 16.81 O ATOM 1017 CB ALA A 554 -15.129 -1.542 -59.106 1.00 18.83 C ATOM 1018 HA ALA A 554 -16.484 -0.981 -60.674 1.00 0.00 H ATOM 1019 HB1 ALA A 554 -14.267 -1.145 -59.642 1.00 0.00 H ATOM 1020 HB2 ALA A 554 -15.007 -1.365 -58.037 1.00 0.00 H ATOM 1021 HB3 ALA A 554 -15.212 -2.613 -59.291 1.00 0.00 H ATOM 1022 H ALA A 554 -15.550 1.003 -58.786 1.00 0.00 H ATOM 1023 N LYS A 555 -18.340 -2.281 -59.742 1.00 16.92 N ATOM 1024 CA LYS A 555 -19.561 -2.909 -59.277 1.00 18.39 C ATOM 1025 C LYS A 555 -19.344 -4.391 -59.043 1.00 21.73 C ATOM 1026 O LYS A 555 -18.717 -5.079 -59.860 1.00 17.58 O ATOM 1027 CB LYS A 555 -20.681 -2.703 -60.308 1.00 21.22 C ATOM 1028 CG LYS A 555 -21.299 -1.310 -60.247 1.00 19.14 C ATOM 1029 CD LYS A 555 -22.450 -1.131 -61.260 1.00 24.98 C ATOM 1030 CE LYS A 555 -23.279 0.103 -60.896 1.00 27.30 C ATOM 1031 NZ LYS A 555 -24.390 0.361 -61.855 1.00 30.65 N ATOM 1032 HA LYS A 555 -19.850 -2.447 -58.333 1.00 0.00 H ATOM 1033 HB2 LYS A 555 -20.268 -2.857 -61.305 1.00 0.00 H ATOM 1034 HB3 LYS A 555 -21.464 -3.439 -60.123 1.00 0.00 H ATOM 1035 HG2 LYS A 555 -21.688 -1.143 -59.242 1.00 0.00 H ATOM 1036 HG3 LYS A 555 -20.525 -0.574 -60.463 1.00 0.00 H ATOM 1037 HD2 LYS A 555 -22.035 -1.006 -62.260 1.00 0.00 H ATOM 1038 HD3 LYS A 555 -23.089 -2.014 -61.241 1.00 0.00 H ATOM 1039 HE2 LYS A 555 -22.622 0.972 -60.883 1.00 0.00 H ATOM 1040 HE3 LYS A 555 -23.704 -0.044 -59.903 1.00 0.00 H ATOM 1041 HZ1 LYS A 555 -23.997 0.513 -62.806 1.00 0.00 H ATOM 1042 HZ2 LYS A 555 -25.031 -0.458 -61.870 1.00 0.00 H ATOM 1043 HZ3 LYS A 555 -24.915 1.208 -61.556 1.00 0.00 H ATOM 1044 H LYS A 555 -18.007 -2.471 -60.709 1.00 0.00 H ATOM 1045 N ASP A 556 -19.873 -4.887 -57.934 1.00 17.87 N ATOM 1046 CA ASP A 556 -19.820 -6.316 -57.680 1.00 15.99 C ATOM 1047 C ASP A 556 -20.910 -7.070 -58.436 1.00 19.66 C ATOM 1048 O ASP A 556 -21.601 -6.505 -59.290 1.00 18.97 O ATOM 1049 CB ASP A 556 -19.839 -6.610 -56.165 1.00 17.26 C ATOM 1050 CG ASP A 556 -21.208 -6.390 -55.519 1.00 21.62 C ATOM 1051 OD1 ASP A 556 -22.216 -6.147 -56.224 1.00 19.40 O ATOM 1052 OD2 ASP A 556 -21.281 -6.495 -54.276 1.00 20.98 O ATOM 1053 HA ASP A 556 -18.871 -6.688 -58.067 1.00 0.00 H ATOM 1054 HB2 ASP A 556 -19.547 -7.649 -56.011 1.00 0.00 H ATOM 1055 HB3 ASP A 556 -19.117 -5.955 -55.677 1.00 0.00 H ATOM 1056 H ASP A 556 -20.326 -4.253 -57.245 1.00 0.00 H ATOM 1057 N LYS A 557 -21.053 -8.363 -58.141 1.00 18.02 N ATOM 1058 CA LYS A 557 -21.974 -9.211 -58.876 1.00 20.90 C ATOM 1059 C LYS A 557 -23.400 -8.674 -58.850 1.00 22.72 C ATOM 1060 O LYS A 557 -24.166 -8.912 -59.782 1.00 26.38 O ATOM 1061 CB LYS A 557 -21.934 -10.639 -58.334 1.00 20.91 C ATOM 1062 CG LYS A 557 -22.754 -11.652 -59.119 1.00 28.28 C ATOM 1063 CD LYS A 557 -22.444 -13.066 -58.628 1.00 36.78 C ATOM 1064 CE LYS A 557 -23.167 -14.116 -59.441 1.00 42.33 C ATOM 1065 NZ LYS A 557 -22.798 -15.471 -58.964 1.00 54.42 N ATOM 1066 HA LYS A 557 -21.648 -9.213 -59.916 1.00 0.00 H ATOM 1067 HB2 LYS A 557 -20.896 -10.972 -58.335 1.00 0.00 H ATOM 1068 HB3 LYS A 557 -22.308 -10.622 -57.310 1.00 0.00 H ATOM 1069 HG2 LYS A 557 -23.815 -11.445 -58.979 1.00 0.00 H ATOM 1070 HG3 LYS A 557 -22.507 -11.575 -60.178 1.00 0.00 H ATOM 1071 HD2 LYS A 557 -21.370 -13.238 -58.704 1.00 0.00 H ATOM 1072 HD3 LYS A 557 -22.752 -13.153 -57.586 1.00 0.00 H ATOM 1073 HE2 LYS A 557 -22.890 -14.015 -60.490 1.00 0.00 H ATOM 1074 HE3 LYS A 557 -24.243 -13.977 -59.336 1.00 0.00 H ATOM 1075 HZ1 LYS A 557 -21.772 -15.606 -59.066 1.00 0.00 H ATOM 1076 HZ2 LYS A 557 -23.064 -15.569 -57.963 1.00 0.00 H ATOM 1077 HZ3 LYS A 557 -23.300 -16.185 -59.529 1.00 0.00 H ATOM 1078 H LYS A 557 -20.492 -8.773 -57.367 1.00 0.00 H ATOM 1079 N GLY A 558 -23.763 -7.973 -57.778 1.00 18.24 N ATOM 1080 CA GLY A 558 -25.095 -7.409 -57.656 1.00 23.02 C ATOM 1081 C GLY A 558 -25.210 -5.954 -58.103 1.00 24.05 C ATOM 1082 O GLY A 558 -26.272 -5.341 -57.984 1.00 24.58 O ATOM 1083 HA3 GLY A 558 -25.396 -7.469 -56.610 1.00 0.00 H ATOM 1084 HA2 GLY A 558 -25.775 -8.007 -58.263 1.00 0.00 H ATOM 1085 H GLY A 558 -23.077 -7.826 -57.011 1.00 0.00 H ATOM 1086 N GLY A 559 -24.123 -5.400 -58.628 1.00 20.03 N ATOM 1087 CA GLY A 559 -24.122 -4.018 -59.074 1.00 18.79 C ATOM 1088 C GLY A 559 -23.846 -2.999 -57.980 1.00 19.17 C ATOM 1089 O GLY A 559 -24.012 -1.798 -58.192 1.00 15.88 O ATOM 1090 HA3 GLY A 559 -25.099 -3.799 -59.504 1.00 0.00 H ATOM 1091 HA2 GLY A 559 -23.356 -3.909 -59.842 1.00 0.00 H ATOM 1092 H GLY A 559 -23.256 -5.967 -58.721 1.00 0.00 H ATOM 1093 N LEU A 560 -23.437 -3.468 -56.804 1.00 12.42 N ATOM 1094 CA LEU A 560 -23.080 -2.561 -55.711 1.00 15.32 C ATOM 1095 C LEU A 560 -21.710 -1.942 -55.940 1.00 17.50 C ATOM 1096 O LEU A 560 -20.782 -2.641 -56.348 1.00 17.59 O ATOM 1097 CB LEU A 560 -23.038 -3.333 -54.395 1.00 17.04 C ATOM 1098 CG LEU A 560 -24.339 -3.940 -53.895 1.00 24.11 C ATOM 1099 CD1 LEU A 560 -24.084 -4.704 -52.598 1.00 25.12 C ATOM 1100 CD2 LEU A 560 -25.383 -2.854 -53.681 1.00 19.16 C ATOM 1101 HA LEU A 560 -23.832 -1.773 -55.673 1.00 0.00 H ATOM 1102 HB2 LEU A 560 -22.323 -4.147 -54.516 1.00 0.00 H ATOM 1103 HB3 LEU A 560 -22.680 -2.648 -53.626 1.00 0.00 H ATOM 1104 HG LEU A 560 -24.720 -4.634 -54.644 1.00 0.00 H ATOM 1105 HD21 LEU A 560 -25.017 -2.140 -52.943 1.00 0.00 H ATOM 1106 HD22 LEU A 560 -25.570 -2.340 -54.624 1.00 0.00 H ATOM 1107 HD23 LEU A 560 -26.308 -3.306 -53.323 1.00 0.00 H ATOM 1108 HD11 LEU A 560 -23.361 -5.498 -52.782 1.00 0.00 H ATOM 1109 HD12 LEU A 560 -23.691 -4.020 -51.846 1.00 0.00 H ATOM 1110 HD13 LEU A 560 -25.019 -5.137 -52.243 1.00 0.00 H ATOM 1111 H LEU A 560 -23.370 -4.496 -56.659 1.00 0.00 H ATOM 1112 N VAL A 561 -21.581 -0.637 -55.680 1.00 11.60 N ATOM 1113 CA VAL A 561 -20.267 -0.018 -55.580 1.00 12.81 C ATOM 1114 C VAL A 561 -19.869 0.056 -54.100 1.00 11.89 C ATOM 1115 O VAL A 561 -20.723 -0.140 -53.219 1.00 14.43 O ATOM 1116 CB VAL A 561 -20.250 1.397 -56.185 1.00 13.05 C ATOM 1117 CG1 VAL A 561 -20.539 1.325 -57.689 1.00 15.61 C ATOM 1118 CG2 VAL A 561 -21.255 2.292 -55.479 1.00 15.08 C ATOM 1119 HA VAL A 561 -19.559 -0.626 -56.143 1.00 0.00 H ATOM 1120 HB VAL A 561 -19.260 1.831 -56.043 1.00 0.00 H ATOM 1121 HG11 VAL A 561 -19.777 0.716 -58.175 1.00 0.00 H ATOM 1122 HG12 VAL A 561 -21.520 0.877 -57.848 1.00 0.00 H ATOM 1123 HG13 VAL A 561 -20.525 2.331 -58.109 1.00 0.00 H ATOM 1124 HG21 VAL A 561 -22.255 1.872 -55.590 1.00 0.00 H ATOM 1125 HG22 VAL A 561 -21.002 2.356 -54.421 1.00 0.00 H ATOM 1126 HG23 VAL A 561 -21.227 3.288 -55.922 1.00 0.00 H ATOM 1127 H VAL A 561 -22.433 -0.055 -55.547 1.00 0.00 H ATOM 1128 N PRO A 562 -18.580 0.316 -53.821 1.00 12.52 N ATOM 1129 CA PRO A 562 -18.135 0.292 -52.415 1.00 14.03 C ATOM 1130 C PRO A 562 -18.881 1.292 -51.524 1.00 12.85 C ATOM 1131 O PRO A 562 -19.024 1.058 -50.333 1.00 13.65 O ATOM 1132 CB PRO A 562 -16.630 0.608 -52.513 1.00 13.86 C ATOM 1133 CG PRO A 562 -16.249 0.042 -53.866 1.00 15.70 C ATOM 1134 CD PRO A 562 -17.439 0.409 -54.752 1.00 14.57 C ATOM 1135 HA PRO A 562 -18.342 -0.666 -51.937 1.00 0.00 H ATOM 1136 HD3 PRO A 562 -17.337 1.419 -55.149 1.00 0.00 H ATOM 1137 HD2 PRO A 562 -17.547 -0.295 -55.577 1.00 0.00 H ATOM 1138 HG3 PRO A 562 -16.120 -1.039 -53.814 1.00 0.00 H ATOM 1139 HG2 PRO A 562 -15.331 0.499 -54.236 1.00 0.00 H ATOM 1140 HB2 PRO A 562 -16.452 1.683 -52.473 1.00 0.00 H ATOM 1141 HB3 PRO A 562 -16.074 0.119 -51.713 1.00 0.00 H ATOM 1142 N LEU A 563 -19.359 2.395 -52.085 1.00 13.11 N ATOM 1143 CA LEU A 563 -20.188 3.290 -51.287 1.00 13.15 C ATOM 1144 C LEU A 563 -21.468 2.593 -50.769 1.00 14.08 C ATOM 1145 O LEU A 563 -21.908 2.872 -49.653 1.00 14.78 O ATOM 1146 CB LEU A 563 -20.522 4.577 -52.057 1.00 14.46 C ATOM 1147 CG LEU A 563 -21.317 5.628 -51.280 1.00 12.93 C ATOM 1148 CD1 LEU A 563 -20.526 6.111 -50.031 1.00 11.34 C ATOM 1149 CD2 LEU A 563 -21.679 6.810 -52.182 1.00 15.33 C ATOM 1150 HA LEU A 563 -19.603 3.569 -50.410 1.00 0.00 H ATOM 1151 HB2 LEU A 563 -19.583 5.032 -52.372 1.00 0.00 H ATOM 1152 HB3 LEU A 563 -21.103 4.300 -52.937 1.00 0.00 H ATOM 1153 HG LEU A 563 -22.242 5.165 -50.936 1.00 0.00 H ATOM 1154 HD21 LEU A 563 -20.766 7.268 -52.562 1.00 0.00 H ATOM 1155 HD22 LEU A 563 -22.284 6.456 -53.017 1.00 0.00 H ATOM 1156 HD23 LEU A 563 -22.244 7.544 -51.607 1.00 0.00 H ATOM 1157 HD11 LEU A 563 -20.332 5.262 -49.375 1.00 0.00 H ATOM 1158 HD12 LEU A 563 -19.580 6.550 -50.349 1.00 0.00 H ATOM 1159 HD13 LEU A 563 -21.114 6.858 -49.497 1.00 0.00 H ATOM 1160 H LEU A 563 -19.146 2.618 -53.078 1.00 0.00 H ATOM 1161 N HIS A 564 -22.084 1.715 -51.566 1.00 12.10 N ATOM 1162 CA HIS A 564 -23.205 0.920 -51.055 1.00 14.50 C ATOM 1163 C HIS A 564 -22.789 0.151 -49.798 1.00 16.59 C ATOM 1164 O HIS A 564 -23.533 0.112 -48.817 1.00 13.06 O ATOM 1165 CB HIS A 564 -23.679 -0.128 -52.065 1.00 14.91 C ATOM 1166 CG HIS A 564 -24.516 0.410 -53.182 1.00 15.08 C ATOM 1167 ND1 HIS A 564 -24.030 0.567 -54.465 1.00 14.99 N ATOM 1168 CD2 HIS A 564 -25.821 0.772 -53.225 1.00 17.70 C ATOM 1169 CE1 HIS A 564 -25.000 1.011 -55.248 1.00 16.42 C ATOM 1170 NE2 HIS A 564 -26.097 1.147 -54.519 1.00 15.67 N ATOM 1171 HA HIS A 564 -24.006 1.630 -50.849 1.00 0.00 H ATOM 1172 HB2 HIS A 564 -22.799 -0.603 -52.499 1.00 0.00 H ATOM 1173 HB3 HIS A 564 -24.267 -0.874 -51.530 1.00 0.00 H ATOM 1174 HD2 HIS A 564 -26.521 0.767 -52.390 1.00 0.00 H ATOM 1175 HE1 HIS A 564 -24.911 1.228 -56.312 1.00 0.00 H ATOM 1176 H HIS A 564 -21.768 1.595 -52.550 1.00 0.00 H ATOM 1177 N ASN A 565 -21.629 -0.506 -49.845 1.00 13.15 N ATOM 1178 CA ASN A 565 -21.178 -1.306 -48.685 1.00 13.54 C ATOM 1179 C ASN A 565 -21.009 -0.441 -47.443 1.00 16.51 C ATOM 1180 O ASN A 565 -21.472 -0.789 -46.345 1.00 13.70 O ATOM 1181 CB ASN A 565 -19.858 -2.036 -48.980 1.00 13.25 C ATOM 1182 CG ASN A 565 -19.937 -2.922 -50.214 1.00 18.15 C ATOM 1183 OD1 ASN A 565 -20.301 -2.460 -51.292 1.00 16.04 O ATOM 1184 ND2 ASN A 565 -19.617 -4.214 -50.054 1.00 15.81 N ATOM 1185 HA ASN A 565 -21.955 -2.047 -48.497 1.00 0.00 H ATOM 1186 HB2 ASN A 565 -19.076 -1.293 -49.134 1.00 0.00 H ATOM 1187 HB3 ASN A 565 -19.604 -2.657 -48.121 1.00 0.00 H ATOM 1188 HD22 ASN A 565 -19.313 -4.563 -49.123 1.00 0.00 H ATOM 1189 HD21 ASN A 565 -19.672 -4.867 -50.861 1.00 0.00 H ATOM 1190 H ASN A 565 -21.039 -0.456 -50.700 1.00 0.00 H ATOM 1191 N ALA A 566 -20.347 0.695 -47.625 1.00 11.36 N ATOM 1192 CA ALA A 566 -20.116 1.643 -46.532 1.00 16.51 C ATOM 1193 C ALA A 566 -21.411 2.122 -45.911 1.00 16.72 C ATOM 1194 O ALA A 566 -21.550 2.171 -44.680 1.00 15.55 O ATOM 1195 CB ALA A 566 -19.316 2.855 -47.037 1.00 14.99 C ATOM 1196 HA ALA A 566 -19.548 1.115 -45.766 1.00 0.00 H ATOM 1197 HB1 ALA A 566 -18.355 2.518 -47.426 1.00 0.00 H ATOM 1198 HB2 ALA A 566 -19.875 3.353 -47.829 1.00 0.00 H ATOM 1199 HB3 ALA A 566 -19.153 3.550 -46.213 1.00 0.00 H ATOM 1200 H ALA A 566 -19.981 0.919 -48.572 1.00 0.00 H ATOM 1201 N CYS A 567 -22.358 2.496 -46.763 1.00 14.85 N ATOM 1202 CA CYS A 567 -23.629 3.033 -46.303 1.00 15.09 C ATOM 1203 C CYS A 567 -24.516 1.979 -45.642 1.00 18.77 C ATOM 1204 O CYS A 567 -25.167 2.256 -44.635 1.00 16.13 O ATOM 1205 CB CYS A 567 -24.361 3.735 -47.452 1.00 13.16 C ATOM 1206 SG CYS A 567 -23.477 5.242 -48.003 1.00 20.29 S ATOM 1207 HA CYS A 567 -23.404 3.767 -45.529 1.00 0.00 H ATOM 1208 HB2 CYS A 567 -25.360 4.014 -47.116 1.00 0.00 H ATOM 1209 HB3 CYS A 567 -24.442 3.046 -48.293 1.00 0.00 H ATOM 1210 HG CYS A 567 -22.214 4.899 -48.439 1.00 0.00 H ATOM 1211 H CYS A 567 -22.187 2.403 -47.785 1.00 0.00 H ATOM 1212 N SER A 568 -24.535 0.778 -46.211 1.00 10.80 N ATOM 1213 CA SER A 568 -25.327 -0.318 -45.664 1.00 15.24 C ATOM 1214 C SER A 568 -24.903 -0.651 -44.230 1.00 17.94 C ATOM 1215 O SER A 568 -25.723 -1.046 -43.388 1.00 18.22 O ATOM 1216 CB SER A 568 -25.156 -1.565 -46.541 1.00 20.60 C ATOM 1217 OG SER A 568 -26.008 -2.617 -46.111 1.00 25.83 O ATOM 1218 HA SER A 568 -26.371 -0.005 -45.652 1.00 0.00 H ATOM 1219 HB2 SER A 568 -24.120 -1.900 -46.484 1.00 0.00 H ATOM 1220 HB3 SER A 568 -25.398 -1.310 -47.573 1.00 0.00 H ATOM 1221 HG SER A 568 -26.951 -2.320 -46.165 1.00 0.00 H ATOM 1222 H SER A 568 -23.970 0.615 -47.069 1.00 0.00 H ATOM 1223 N TYR A 569 -23.619 -0.495 -43.950 1.00 18.15 N ATOM 1224 CA TYR A 569 -23.084 -0.916 -42.657 1.00 16.22 C ATOM 1225 C TYR A 569 -22.739 0.251 -41.726 1.00 19.99 C ATOM 1226 O TYR A 569 -22.148 0.063 -40.657 1.00 18.52 O ATOM 1227 CB TYR A 569 -21.903 -1.863 -42.866 1.00 12.36 C ATOM 1228 CG TYR A 569 -22.360 -3.169 -43.473 1.00 15.63 C ATOM 1229 CD1 TYR A 569 -23.290 -3.958 -42.817 1.00 19.20 C ATOM 1230 CD2 TYR A 569 -21.892 -3.596 -44.717 1.00 18.77 C ATOM 1231 CE1 TYR A 569 -23.729 -5.148 -43.359 1.00 25.28 C ATOM 1232 CE2 TYR A 569 -22.329 -4.791 -45.276 1.00 15.24 C ATOM 1233 CZ TYR A 569 -23.249 -5.558 -44.596 1.00 22.11 C ATOM 1234 OH TYR A 569 -23.697 -6.747 -45.127 1.00 22.81 O ATOM 1235 HA TYR A 569 -23.876 -1.455 -42.138 1.00 0.00 H ATOM 1236 HB3 TYR A 569 -21.430 -2.062 -41.904 1.00 0.00 H ATOM 1237 HB2 TYR A 569 -21.181 -1.392 -43.533 1.00 0.00 H ATOM 1238 HD2 TYR A 569 -21.172 -2.982 -45.259 1.00 0.00 H ATOM 1239 HE2 TYR A 569 -21.947 -5.118 -46.243 1.00 0.00 H ATOM 1240 HE1 TYR A 569 -24.449 -5.763 -42.819 1.00 0.00 H ATOM 1241 HD1 TYR A 569 -23.683 -3.632 -41.854 1.00 0.00 H ATOM 1242 HH TYR A 569 -22.930 -7.359 -45.256 1.00 0.00 H ATOM 1243 H TYR A 569 -22.985 -0.069 -44.656 1.00 0.00 H ATOM 1244 N GLY A 570 -23.132 1.452 -42.133 1.00 17.56 N ATOM 1245 CA GLY A 570 -23.058 2.621 -41.270 1.00 22.19 C ATOM 1246 C GLY A 570 -21.682 3.239 -41.089 1.00 20.12 C ATOM 1247 O GLY A 570 -21.455 3.977 -40.135 1.00 19.22 O ATOM 1248 HA3 GLY A 570 -23.424 2.331 -40.285 1.00 0.00 H ATOM 1249 HA2 GLY A 570 -23.713 3.385 -41.689 1.00 0.00 H ATOM 1250 H GLY A 570 -23.504 1.561 -43.098 1.00 0.00 H ATOM 1251 N HIS A 571 -20.775 2.985 -42.022 1.00 14.94 N ATOM 1252 CA HIS A 571 -19.400 3.433 -41.851 1.00 15.14 C ATOM 1253 C HIS A 571 -19.214 4.852 -42.393 1.00 14.80 C ATOM 1254 O HIS A 571 -18.945 5.071 -43.578 1.00 16.22 O ATOM 1255 CB HIS A 571 -18.445 2.447 -42.500 1.00 19.31 C ATOM 1256 CG HIS A 571 -18.663 1.034 -42.057 1.00 18.03 C ATOM 1257 ND1 HIS A 571 -19.034 0.712 -40.768 1.00 14.65 N ATOM 1258 CD2 HIS A 571 -18.581 -0.140 -42.731 1.00 13.08 C ATOM 1259 CE1 HIS A 571 -19.151 -0.603 -40.662 1.00 15.49 C ATOM 1260 NE2 HIS A 571 -18.892 -1.140 -41.843 1.00 13.55 N ATOM 1261 HA HIS A 571 -19.171 3.468 -40.786 1.00 0.00 H ATOM 1262 HB2 HIS A 571 -18.578 2.496 -43.581 1.00 0.00 H ATOM 1263 HB3 HIS A 571 -17.425 2.736 -42.248 1.00 0.00 H ATOM 1264 HD2 HIS A 571 -18.318 -0.266 -43.781 1.00 0.00 H ATOM 1265 HE1 HIS A 571 -19.415 -1.149 -39.757 1.00 0.00 H ATOM 1266 H HIS A 571 -21.047 2.463 -42.880 1.00 0.00 H ATOM 1267 N TYR A 572 -19.359 5.811 -41.498 1.00 13.58 N ATOM 1268 CA TYR A 572 -19.399 7.219 -41.896 1.00 17.88 C ATOM 1269 C TYR A 572 -18.068 7.703 -42.473 1.00 22.14 C ATOM 1270 O TYR A 572 -18.031 8.338 -43.539 1.00 17.51 O ATOM 1271 CB TYR A 572 -19.811 8.065 -40.696 1.00 16.88 C ATOM 1272 CG TYR A 572 -19.908 9.556 -40.955 1.00 20.05 C ATOM 1273 CD1 TYR A 572 -21.128 10.155 -41.232 1.00 24.39 C ATOM 1274 CD2 TYR A 572 -18.782 10.363 -40.898 1.00 24.09 C ATOM 1275 CE1 TYR A 572 -21.219 11.525 -41.454 1.00 32.72 C ATOM 1276 CE2 TYR A 572 -18.862 11.730 -41.124 1.00 26.37 C ATOM 1277 CZ TYR A 572 -20.081 12.304 -41.399 1.00 35.21 C ATOM 1278 OH TYR A 572 -20.167 13.666 -41.611 1.00 33.09 O ATOM 1279 HA TYR A 572 -20.134 7.325 -42.694 1.00 0.00 H ATOM 1280 HB3 TYR A 572 -19.077 7.908 -39.905 1.00 0.00 H ATOM 1281 HB2 TYR A 572 -20.787 7.718 -40.358 1.00 0.00 H ATOM 1282 HD2 TYR A 572 -17.815 9.915 -40.671 1.00 0.00 H ATOM 1283 HE2 TYR A 572 -17.963 12.345 -41.084 1.00 0.00 H ATOM 1284 HE1 TYR A 572 -22.185 11.981 -41.670 1.00 0.00 H ATOM 1285 HD1 TYR A 572 -22.029 9.543 -41.276 1.00 0.00 H ATOM 1286 HH TYR A 572 -21.108 13.911 -41.795 1.00 0.00 H ATOM 1287 H TYR A 572 -19.446 5.562 -40.492 1.00 0.00 H ATOM 1288 N GLU A 573 -16.973 7.436 -41.767 1.00 16.08 N ATOM 1289 CA GLU A 573 -15.679 7.928 -42.238 1.00 17.60 C ATOM 1290 C GLU A 573 -15.369 7.322 -43.605 1.00 14.42 C ATOM 1291 O GLU A 573 -14.889 8.006 -44.517 1.00 14.78 O ATOM 1292 CB GLU A 573 -14.554 7.654 -41.220 1.00 17.52 C ATOM 1293 CG GLU A 573 -13.175 8.106 -41.720 1.00 15.44 C ATOM 1294 CD GLU A 573 -12.075 8.011 -40.668 1.00 20.71 C ATOM 1295 OE1 GLU A 573 -12.338 7.519 -39.549 1.00 24.91 O ATOM 1296 OE2 GLU A 573 -10.938 8.447 -40.962 1.00 23.35 O ATOM 1297 HA GLU A 573 -15.736 9.012 -42.342 1.00 0.00 H ATOM 1298 HB2 GLU A 573 -14.782 8.187 -40.297 1.00 0.00 H ATOM 1299 HB3 GLU A 573 -14.518 6.583 -41.020 1.00 0.00 H ATOM 1300 HG2 GLU A 573 -12.895 7.480 -42.567 1.00 0.00 H ATOM 1301 HG3 GLU A 573 -13.251 9.144 -42.045 1.00 0.00 H ATOM 1302 H GLU A 573 -17.036 6.883 -40.889 1.00 0.00 H ATOM 1303 N VAL A 574 -15.626 6.023 -43.749 1.00 12.56 N ATOM 1304 CA VAL A 574 -15.384 5.363 -45.018 1.00 14.45 C ATOM 1305 C VAL A 574 -16.221 6.011 -46.131 1.00 15.89 C ATOM 1306 O VAL A 574 -15.718 6.265 -47.230 1.00 11.56 O ATOM 1307 CB VAL A 574 -15.683 3.859 -44.936 1.00 11.27 C ATOM 1308 CG1 VAL A 574 -15.742 3.264 -46.348 1.00 13.47 C ATOM 1309 CG2 VAL A 574 -14.589 3.176 -44.137 1.00 12.15 C ATOM 1310 HA VAL A 574 -14.327 5.483 -45.255 1.00 0.00 H ATOM 1311 HB VAL A 574 -16.644 3.704 -44.446 1.00 0.00 H ATOM 1312 HG11 VAL A 574 -16.530 3.758 -46.917 1.00 0.00 H ATOM 1313 HG12 VAL A 574 -14.784 3.415 -46.845 1.00 0.00 H ATOM 1314 HG13 VAL A 574 -15.954 2.197 -46.283 1.00 0.00 H ATOM 1315 HG21 VAL A 574 -13.629 3.333 -44.630 1.00 0.00 H ATOM 1316 HG22 VAL A 574 -14.557 3.599 -43.133 1.00 0.00 H ATOM 1317 HG23 VAL A 574 -14.798 2.108 -44.077 1.00 0.00 H ATOM 1318 H VAL A 574 -16.002 5.479 -42.947 1.00 0.00 H ATOM 1319 N ALA A 575 -17.488 6.286 -45.843 1.00 16.66 N ATOM 1320 CA ALA A 575 -18.367 6.895 -46.838 1.00 13.17 C ATOM 1321 C ALA A 575 -17.804 8.263 -47.229 1.00 14.02 C ATOM 1322 O ALA A 575 -17.776 8.623 -48.408 1.00 15.64 O ATOM 1323 CB ALA A 575 -19.779 7.020 -46.290 1.00 13.81 C ATOM 1324 HA ALA A 575 -18.413 6.264 -47.725 1.00 0.00 H ATOM 1325 HB1 ALA A 575 -20.159 6.030 -46.038 1.00 0.00 H ATOM 1326 HB2 ALA A 575 -19.767 7.644 -45.396 1.00 0.00 H ATOM 1327 HB3 ALA A 575 -20.421 7.476 -47.044 1.00 0.00 H ATOM 1328 H ALA A 575 -17.859 6.065 -44.897 1.00 0.00 H ATOM 1329 N GLU A 576 -17.331 9.012 -46.236 1.00 14.00 N ATOM 1330 CA GLU A 576 -16.707 10.314 -46.496 1.00 18.46 C ATOM 1331 C GLU A 576 -15.461 10.216 -47.411 1.00 15.76 C ATOM 1332 O GLU A 576 -15.326 10.986 -48.368 1.00 20.33 O ATOM 1333 CB GLU A 576 -16.347 11.000 -45.173 1.00 21.14 C ATOM 1334 CG GLU A 576 -15.829 12.404 -45.336 1.00 40.82 C ATOM 1335 CD GLU A 576 -16.909 13.364 -45.787 1.00 51.69 C ATOM 1336 OE1 GLU A 576 -18.086 13.135 -45.440 1.00 52.72 O ATOM 1337 OE2 GLU A 576 -16.580 14.346 -46.487 1.00 58.76 O ATOM 1338 HA GLU A 576 -17.440 10.915 -47.033 1.00 0.00 H ATOM 1339 HB2 GLU A 576 -17.240 11.034 -44.549 1.00 0.00 H ATOM 1340 HB3 GLU A 576 -15.580 10.406 -44.676 1.00 0.00 H ATOM 1341 HG2 GLU A 576 -15.433 12.745 -44.380 1.00 0.00 H ATOM 1342 HG3 GLU A 576 -15.031 12.400 -46.078 1.00 0.00 H ATOM 1343 H GLU A 576 -17.405 8.668 -45.257 1.00 0.00 H ATOM 1344 N LEU A 577 -14.554 9.290 -47.105 1.00 14.55 N ATOM 1345 CA LEU A 577 -13.376 9.064 -47.951 1.00 16.43 C ATOM 1346 C LEU A 577 -13.737 8.715 -49.406 1.00 13.69 C ATOM 1347 O LEU A 577 -13.072 9.161 -50.349 1.00 15.31 O ATOM 1348 CB LEU A 577 -12.491 7.960 -47.358 1.00 16.84 C ATOM 1349 CG LEU A 577 -11.747 8.295 -46.063 1.00 23.05 C ATOM 1350 CD1 LEU A 577 -11.122 7.036 -45.457 1.00 19.87 C ATOM 1351 CD2 LEU A 577 -10.683 9.346 -46.309 1.00 28.00 C ATOM 1352 HA LEU A 577 -12.829 10.006 -47.972 1.00 0.00 H ATOM 1353 HB2 LEU A 577 -13.127 7.097 -47.160 1.00 0.00 H ATOM 1354 HB3 LEU A 577 -11.746 7.695 -48.108 1.00 0.00 H ATOM 1355 HG LEU A 577 -12.470 8.698 -45.354 1.00 0.00 H ATOM 1356 HD21 LEU A 577 -9.966 8.971 -47.040 1.00 0.00 H ATOM 1357 HD22 LEU A 577 -11.152 10.253 -46.690 1.00 0.00 H ATOM 1358 HD23 LEU A 577 -10.169 9.567 -45.374 1.00 0.00 H ATOM 1359 HD11 LEU A 577 -11.907 6.313 -45.236 1.00 0.00 H ATOM 1360 HD12 LEU A 577 -10.417 6.604 -46.167 1.00 0.00 H ATOM 1361 HD13 LEU A 577 -10.599 7.298 -44.538 1.00 0.00 H ATOM 1362 H LEU A 577 -14.683 8.715 -46.248 1.00 0.00 H ATOM 1363 N LEU A 578 -14.763 7.887 -49.588 1.00 13.82 N ATOM 1364 CA LEU A 578 -15.181 7.490 -50.936 1.00 13.27 C ATOM 1365 C LEU A 578 -15.717 8.696 -51.703 1.00 21.53 C ATOM 1366 O LEU A 578 -15.327 8.954 -52.850 1.00 16.70 O ATOM 1367 CB LEU A 578 -16.237 6.374 -50.872 1.00 11.52 C ATOM 1368 CG LEU A 578 -15.750 5.022 -50.328 1.00 17.27 C ATOM 1369 CD1 LEU A 578 -16.926 4.074 -50.102 1.00 13.98 C ATOM 1370 CD2 LEU A 578 -14.731 4.387 -51.271 1.00 17.57 C ATOM 1371 HA LEU A 578 -14.311 7.103 -51.466 1.00 0.00 H ATOM 1372 HB2 LEU A 578 -17.050 6.719 -50.233 1.00 0.00 H ATOM 1373 HB3 LEU A 578 -16.614 6.212 -51.882 1.00 0.00 H ATOM 1374 HG LEU A 578 -15.262 5.204 -49.370 1.00 0.00 H ATOM 1375 HD21 LEU A 578 -15.191 4.227 -52.246 1.00 0.00 H ATOM 1376 HD22 LEU A 578 -13.873 5.051 -51.377 1.00 0.00 H ATOM 1377 HD23 LEU A 578 -14.404 3.432 -50.861 1.00 0.00 H ATOM 1378 HD11 LEU A 578 -17.614 4.516 -49.382 1.00 0.00 H ATOM 1379 HD12 LEU A 578 -17.444 3.908 -51.047 1.00 0.00 H ATOM 1380 HD13 LEU A 578 -16.556 3.124 -49.717 1.00 0.00 H ATOM 1381 H LEU A 578 -15.275 7.516 -48.762 1.00 0.00 H ATOM 1382 N VAL A 579 -16.608 9.447 -51.066 1.00 16.65 N ATOM 1383 CA VAL A 579 -17.144 10.658 -51.691 1.00 19.08 C ATOM 1384 C VAL A 579 -16.034 11.651 -52.042 1.00 19.76 C ATOM 1385 O VAL A 579 -16.042 12.241 -53.131 1.00 22.21 O ATOM 1386 CB VAL A 579 -18.236 11.311 -50.814 1.00 23.15 C ATOM 1387 CG1 VAL A 579 -18.681 12.644 -51.402 1.00 24.56 C ATOM 1388 CG2 VAL A 579 -19.426 10.349 -50.688 1.00 26.80 C ATOM 1389 HA VAL A 579 -17.615 10.359 -52.627 1.00 0.00 H ATOM 1390 HB VAL A 579 -17.826 11.509 -49.824 1.00 0.00 H ATOM 1391 HG11 VAL A 579 -17.826 13.318 -51.458 1.00 0.00 H ATOM 1392 HG12 VAL A 579 -19.084 12.482 -52.402 1.00 0.00 H ATOM 1393 HG13 VAL A 579 -19.450 13.082 -50.765 1.00 0.00 H ATOM 1394 HG21 VAL A 579 -19.829 10.140 -51.679 1.00 0.00 H ATOM 1395 HG22 VAL A 579 -19.093 9.420 -50.226 1.00 0.00 H ATOM 1396 HG23 VAL A 579 -20.198 10.807 -50.070 1.00 0.00 H ATOM 1397 H VAL A 579 -16.928 9.173 -50.115 1.00 0.00 H ATOM 1398 N LYS A 580 -15.072 11.825 -51.138 1.00 18.41 N ATOM 1399 CA LYS A 580 -13.962 12.741 -51.399 1.00 23.22 C ATOM 1400 C LYS A 580 -13.147 12.281 -52.601 1.00 23.29 C ATOM 1401 O LYS A 580 -12.532 13.096 -53.278 1.00 24.55 O ATOM 1402 CB LYS A 580 -13.060 12.900 -50.171 1.00 20.70 C ATOM 1403 CG LYS A 580 -13.682 13.746 -49.064 1.00 37.75 C ATOM 1404 CD LYS A 580 -12.796 13.786 -47.823 1.00 41.36 C ATOM 1405 CE LYS A 580 -13.415 14.643 -46.724 1.00 43.71 C ATOM 1406 NZ LYS A 580 -12.506 14.783 -45.548 1.00 48.48 N ATOM 1407 HA LYS A 580 -14.394 13.716 -51.625 1.00 0.00 H ATOM 1408 HB2 LYS A 580 -12.846 11.910 -49.770 1.00 0.00 H ATOM 1409 HB3 LYS A 580 -12.129 13.373 -50.485 1.00 0.00 H ATOM 1410 HG2 LYS A 580 -13.822 14.762 -49.432 1.00 0.00 H ATOM 1411 HG3 LYS A 580 -14.649 13.321 -48.795 1.00 0.00 H ATOM 1412 HD2 LYS A 580 -12.663 12.771 -47.449 1.00 0.00 H ATOM 1413 HD3 LYS A 580 -11.825 14.202 -48.093 1.00 0.00 H ATOM 1414 HE2 LYS A 580 -14.346 14.179 -46.397 1.00 0.00 H ATOM 1415 HE3 LYS A 580 -13.626 15.634 -47.126 1.00 0.00 H ATOM 1416 HZ1 LYS A 580 -12.304 13.842 -45.153 1.00 0.00 H ATOM 1417 HZ2 LYS A 580 -11.617 15.231 -45.850 1.00 0.00 H ATOM 1418 HZ3 LYS A 580 -12.965 15.373 -44.825 1.00 0.00 H ATOM 1419 H LYS A 580 -15.110 11.305 -50.238 1.00 0.00 H ATOM 1420 N HIS A 581 -13.134 10.976 -52.860 1.00 21.31 N ATOM 1421 CA HIS A 581 -12.405 10.458 -54.015 1.00 21.23 C ATOM 1422 C HIS A 581 -13.324 10.234 -55.219 1.00 20.01 C ATOM 1423 O HIS A 581 -13.000 9.463 -56.124 1.00 24.23 O ATOM 1424 CB HIS A 581 -11.634 9.179 -53.674 1.00 22.14 C ATOM 1425 CG HIS A 581 -10.338 9.441 -52.975 1.00 32.60 C ATOM 1426 ND1 HIS A 581 -10.261 9.699 -51.623 1.00 36.68 N ATOM 1427 CD2 HIS A 581 -9.071 9.516 -53.446 1.00 31.38 C ATOM 1428 CE1 HIS A 581 -8.999 9.904 -51.287 1.00 35.22 C ATOM 1429 NE2 HIS A 581 -8.257 9.801 -52.375 1.00 38.44 N ATOM 1430 HA HIS A 581 -11.678 11.222 -54.292 1.00 0.00 H ATOM 1431 HB2 HIS A 581 -12.257 8.560 -53.028 1.00 0.00 H ATOM 1432 HB3 HIS A 581 -11.426 8.642 -54.600 1.00 0.00 H ATOM 1433 HD2 HIS A 581 -8.755 9.377 -54.480 1.00 0.00 H ATOM 1434 HE1 HIS A 581 -8.633 10.121 -50.283 1.00 0.00 H ATOM 1435 H HIS A 581 -13.646 10.320 -52.236 1.00 0.00 H ATOM 1436 N GLY A 582 -14.463 10.911 -55.217 1.00 19.87 N ATOM 1437 CA GLY A 582 -15.290 10.990 -56.407 1.00 23.57 C ATOM 1438 C GLY A 582 -16.355 9.923 -56.559 1.00 17.67 C ATOM 1439 O GLY A 582 -16.960 9.806 -57.619 1.00 21.56 O ATOM 1440 HA3 GLY A 582 -14.632 10.928 -57.274 1.00 0.00 H ATOM 1441 HA2 GLY A 582 -15.789 11.959 -56.401 1.00 0.00 H ATOM 1442 H GLY A 582 -14.769 11.394 -54.348 1.00 0.00 H ATOM 1443 N ALA A 583 -16.607 9.150 -55.510 1.00 19.94 N ATOM 1444 CA ALA A 583 -17.747 8.236 -55.539 1.00 22.68 C ATOM 1445 C ALA A 583 -19.058 8.947 -55.905 1.00 29.96 C ATOM 1446 O ALA A 583 -19.367 10.031 -55.393 1.00 24.35 O ATOM 1447 CB ALA A 583 -17.877 7.501 -54.202 1.00 22.83 C ATOM 1448 HA ALA A 583 -17.557 7.505 -56.325 1.00 0.00 H ATOM 1449 HB1 ALA A 583 -16.968 6.930 -54.013 1.00 0.00 H ATOM 1450 HB2 ALA A 583 -18.024 8.227 -53.402 1.00 0.00 H ATOM 1451 HB3 ALA A 583 -18.731 6.825 -54.242 1.00 0.00 H ATOM 1452 H ALA A 583 -15.995 9.195 -54.670 1.00 0.00 H ATOM 1453 N VAL A 584 -19.825 8.343 -56.806 1.00 22.50 N ATOM 1454 CA VAL A 584 -21.058 8.969 -57.266 1.00 26.92 C ATOM 1455 C VAL A 584 -22.165 8.613 -56.290 1.00 21.40 C ATOM 1456 O VAL A 584 -22.411 7.447 -56.047 1.00 27.27 O ATOM 1457 CB VAL A 584 -21.447 8.484 -58.677 1.00 26.27 C ATOM 1458 CG1 VAL A 584 -22.834 8.981 -59.050 1.00 28.60 C ATOM 1459 CG2 VAL A 584 -20.416 8.940 -59.712 1.00 29.66 C ATOM 1460 HA VAL A 584 -20.909 10.048 -57.314 1.00 0.00 H ATOM 1461 HB VAL A 584 -21.463 7.394 -58.669 1.00 0.00 H ATOM 1462 HG11 VAL A 584 -23.560 8.600 -58.332 1.00 0.00 H ATOM 1463 HG12 VAL A 584 -22.844 10.071 -59.035 1.00 0.00 H ATOM 1464 HG13 VAL A 584 -23.089 8.627 -60.049 1.00 0.00 H ATOM 1465 HG21 VAL A 584 -20.364 10.029 -59.716 1.00 0.00 H ATOM 1466 HG22 VAL A 584 -19.439 8.529 -59.455 1.00 0.00 H ATOM 1467 HG23 VAL A 584 -20.713 8.586 -60.699 1.00 0.00 H ATOM 1468 H VAL A 584 -19.543 7.417 -57.186 1.00 0.00 H ATOM 1469 N VAL A 585 -22.837 9.612 -55.729 1.00 25.56 N ATOM 1470 CA VAL A 585 -23.817 9.336 -54.671 1.00 23.99 C ATOM 1471 C VAL A 585 -25.106 8.680 -55.182 1.00 25.04 C ATOM 1472 O VAL A 585 -25.743 7.925 -54.455 1.00 33.00 O ATOM 1473 CB VAL A 585 -24.171 10.611 -53.869 1.00 26.32 C ATOM 1474 CG1 VAL A 585 -22.921 11.196 -53.241 1.00 27.89 C ATOM 1475 CG2 VAL A 585 -24.857 11.623 -54.764 1.00 32.59 C ATOM 1476 HA VAL A 585 -23.324 8.619 -54.014 1.00 0.00 H ATOM 1477 HB VAL A 585 -24.862 10.346 -53.069 1.00 0.00 H ATOM 1478 HG11 VAL A 585 -22.476 10.462 -52.569 1.00 0.00 H ATOM 1479 HG12 VAL A 585 -22.208 11.452 -54.025 1.00 0.00 H ATOM 1480 HG13 VAL A 585 -23.184 12.093 -52.680 1.00 0.00 H ATOM 1481 HG21 VAL A 585 -24.191 11.892 -55.584 1.00 0.00 H ATOM 1482 HG22 VAL A 585 -25.773 11.189 -55.166 1.00 0.00 H ATOM 1483 HG23 VAL A 585 -25.099 12.514 -54.184 1.00 0.00 H ATOM 1484 H VAL A 585 -22.669 10.590 -56.039 1.00 0.00 H ATOM 1485 N ASN A 586 -25.482 8.964 -56.427 1.00 26.18 N ATOM 1486 CA ASN A 586 -26.772 8.509 -56.964 1.00 29.57 C ATOM 1487 C ASN A 586 -26.687 7.239 -57.791 1.00 30.15 C ATOM 1488 O ASN A 586 -27.604 6.899 -58.534 1.00 35.02 O ATOM 1489 CB ASN A 586 -27.434 9.617 -57.783 1.00 35.18 C ATOM 1490 CG ASN A 586 -27.923 10.751 -56.915 1.00 38.35 C ATOM 1491 OD1 ASN A 586 -28.786 10.557 -56.060 1.00 40.60 O ATOM 1492 ND2 ASN A 586 -27.363 11.937 -57.114 1.00 41.76 N ATOM 1493 HA ASN A 586 -27.382 8.268 -56.093 1.00 0.00 H ATOM 1494 HB2 ASN A 586 -26.709 10.008 -58.497 1.00 0.00 H ATOM 1495 HB3 ASN A 586 -28.282 9.196 -58.323 1.00 0.00 H ATOM 1496 HD22 ASN A 586 -26.637 12.052 -57.850 1.00 0.00 H ATOM 1497 HD21 ASN A 586 -27.650 12.751 -56.535 1.00 0.00 H ATOM 1498 H ASN A 586 -24.848 9.521 -57.034 1.00 0.00 H ATOM 1499 N VAL A 587 -25.581 6.533 -57.639 1.00 30.52 N ATOM 1500 CA VAL A 587 -25.341 5.301 -58.357 1.00 27.13 C ATOM 1501 C VAL A 587 -26.375 4.259 -57.943 1.00 26.95 C ATOM 1502 O VAL A 587 -26.895 4.301 -56.826 1.00 25.79 O ATOM 1503 CB VAL A 587 -23.921 4.803 -58.037 1.00 26.89 C ATOM 1504 CG1 VAL A 587 -23.753 4.641 -56.533 1.00 30.68 C ATOM 1505 CG2 VAL A 587 -23.617 3.513 -58.761 1.00 27.27 C ATOM 1506 HA VAL A 587 -25.428 5.471 -59.430 1.00 0.00 H ATOM 1507 HB VAL A 587 -23.207 5.547 -58.388 1.00 0.00 H ATOM 1508 HG11 VAL A 587 -23.915 5.602 -56.045 1.00 0.00 H ATOM 1509 HG12 VAL A 587 -24.479 3.917 -56.163 1.00 0.00 H ATOM 1510 HG13 VAL A 587 -22.745 4.288 -56.317 1.00 0.00 H ATOM 1511 HG21 VAL A 587 -24.331 2.749 -58.454 1.00 0.00 H ATOM 1512 HG22 VAL A 587 -23.695 3.674 -59.836 1.00 0.00 H ATOM 1513 HG23 VAL A 587 -22.606 3.188 -58.513 1.00 0.00 H ATOM 1514 H VAL A 587 -24.855 6.876 -56.978 1.00 0.00 H ATOM 1515 N ALA A 588 -26.682 3.322 -58.832 1.00 25.25 N ATOM 1516 CA ALA A 588 -27.686 2.316 -58.512 1.00 28.22 C ATOM 1517 C ALA A 588 -27.212 0.921 -58.864 1.00 27.29 C ATOM 1518 O ALA A 588 -26.508 0.733 -59.854 1.00 27.13 O ATOM 1519 CB ALA A 588 -28.994 2.625 -59.226 1.00 36.35 C ATOM 1520 HA ALA A 588 -27.853 2.348 -57.435 1.00 0.00 H ATOM 1521 HB1 ALA A 588 -29.357 3.603 -58.909 1.00 0.00 H ATOM 1522 HB2 ALA A 588 -28.826 2.630 -60.303 1.00 0.00 H ATOM 1523 HB3 ALA A 588 -29.732 1.863 -58.975 1.00 0.00 H ATOM 1524 H ALA A 588 -26.206 3.306 -59.757 1.00 0.00 H ATOM 1525 N ASP A 589 -27.633 -0.060 -58.069 1.00 21.26 N ATOM 1526 CA ASP A 589 -27.277 -1.453 -58.318 1.00 24.09 C ATOM 1527 C ASP A 589 -28.221 -2.107 -59.321 1.00 22.82 C ATOM 1528 O ASP A 589 -28.990 -1.414 -59.994 1.00 24.62 O ATOM 1529 CB ASP A 589 -27.183 -2.247 -57.008 1.00 22.89 C ATOM 1530 CG ASP A 589 -28.541 -2.557 -56.389 1.00 27.63 C ATOM 1531 OD1 ASP A 589 -29.600 -2.134 -56.932 1.00 25.83 O ATOM 1532 OD2 ASP A 589 -28.538 -3.239 -55.335 1.00 26.75 O ATOM 1533 HA ASP A 589 -26.286 -1.463 -58.771 1.00 0.00 H ATOM 1534 HB2 ASP A 589 -26.672 -3.188 -57.210 1.00 0.00 H ATOM 1535 HB3 ASP A 589 -26.601 -1.666 -56.292 1.00 0.00 H ATOM 1536 H ASP A 589 -28.231 0.172 -57.250 1.00 0.00 H ATOM 1537 N LEU A 590 -28.157 -3.429 -59.443 1.00 25.94 N ATOM 1538 CA LEU A 590 -28.952 -4.119 -60.464 1.00 30.65 C ATOM 1539 C LEU A 590 -30.456 -4.003 -60.214 1.00 31.78 C ATOM 1540 O LEU A 590 -31.260 -4.170 -61.133 1.00 31.08 O ATOM 1541 CB LEU A 590 -28.555 -5.591 -60.576 1.00 29.22 C ATOM 1542 CG LEU A 590 -27.251 -5.894 -61.312 1.00 31.72 C ATOM 1543 CD1 LEU A 590 -26.942 -7.388 -61.236 1.00 34.41 C ATOM 1544 CD2 LEU A 590 -27.314 -5.419 -62.769 1.00 30.91 C ATOM 1545 HA LEU A 590 -28.734 -3.619 -61.408 1.00 0.00 H ATOM 1546 HB2 LEU A 590 -28.464 -5.987 -59.565 1.00 0.00 H ATOM 1547 HB3 LEU A 590 -29.358 -6.112 -61.098 1.00 0.00 H ATOM 1548 HG LEU A 590 -26.444 -5.346 -60.825 1.00 0.00 H ATOM 1549 HD21 LEU A 590 -28.130 -5.929 -63.281 1.00 0.00 H ATOM 1550 HD22 LEU A 590 -27.485 -4.343 -62.792 1.00 0.00 H ATOM 1551 HD23 LEU A 590 -26.371 -5.649 -63.266 1.00 0.00 H ATOM 1552 HD11 LEU A 590 -26.842 -7.684 -60.192 1.00 0.00 H ATOM 1553 HD12 LEU A 590 -27.754 -7.950 -61.698 1.00 0.00 H ATOM 1554 HD13 LEU A 590 -26.011 -7.592 -61.764 1.00 0.00 H ATOM 1555 H LEU A 590 -27.540 -3.977 -58.811 1.00 0.00 H ATOM 1556 N TRP A 591 -30.827 -3.718 -58.970 1.00 22.61 N ATOM 1557 CA TRP A 591 -32.228 -3.549 -58.606 1.00 26.37 C ATOM 1558 C TRP A 591 -32.579 -2.073 -58.426 1.00 26.60 C ATOM 1559 O TRP A 591 -33.657 -1.732 -57.924 1.00 27.18 O ATOM 1560 CB TRP A 591 -32.527 -4.303 -57.317 1.00 29.04 C ATOM 1561 CG TRP A 591 -32.485 -5.783 -57.452 1.00 31.14 C ATOM 1562 CD1 TRP A 591 -33.549 -6.618 -57.645 1.00 37.54 C ATOM 1563 CD2 TRP A 591 -31.323 -6.620 -57.396 1.00 32.97 C ATOM 1564 NE1 TRP A 591 -33.120 -7.920 -57.714 1.00 39.23 N ATOM 1565 CE2 TRP A 591 -31.761 -7.950 -57.565 1.00 37.89 C ATOM 1566 CE3 TRP A 591 -29.958 -6.375 -57.228 1.00 30.07 C ATOM 1567 CZ2 TRP A 591 -30.881 -9.027 -57.562 1.00 40.42 C ATOM 1568 CZ3 TRP A 591 -29.091 -7.443 -57.220 1.00 32.39 C ATOM 1569 CH2 TRP A 591 -29.554 -8.754 -57.390 1.00 38.04 C ATOM 1570 HA TRP A 591 -32.835 -3.952 -59.417 1.00 0.00 H ATOM 1571 HB2 TRP A 591 -31.791 -4.007 -56.569 1.00 0.00 H ATOM 1572 HB3 TRP A 591 -33.523 -4.019 -56.978 1.00 0.00 H ATOM 1573 HE1 TRP A 591 -33.730 -8.750 -57.857 1.00 0.00 H ATOM 1574 HD1 TRP A 591 -34.587 -6.297 -57.732 1.00 0.00 H ATOM 1575 HZ2 TRP A 591 -31.237 -10.049 -57.692 1.00 0.00 H ATOM 1576 HH2 TRP A 591 -28.838 -9.576 -57.385 1.00 0.00 H ATOM 1577 HZ3 TRP A 591 -28.025 -7.266 -57.079 1.00 0.00 H ATOM 1578 HE3 TRP A 591 -29.587 -5.357 -57.106 1.00 0.00 H ATOM 1579 H TRP A 591 -30.098 -3.613 -58.236 1.00 0.00 H ATOM 1580 N LYS A 592 -31.666 -1.210 -58.853 1.00 23.94 N ATOM 1581 CA LYS A 592 -31.825 0.240 -58.749 1.00 19.09 C ATOM 1582 C LYS A 592 -31.868 0.797 -57.316 1.00 18.04 C ATOM 1583 O LYS A 592 -32.406 1.883 -57.085 1.00 23.66 O ATOM 1584 CB LYS A 592 -33.028 0.732 -59.559 1.00 26.14 C ATOM 1585 CG LYS A 592 -32.852 0.592 -61.071 1.00 32.38 C ATOM 1586 CD LYS A 592 -33.773 1.560 -61.812 1.00 38.98 C ATOM 1587 CE LYS A 592 -33.589 1.477 -63.303 1.00 50.63 C ATOM 1588 NZ LYS A 592 -34.098 0.185 -63.826 1.00 59.58 N ATOM 1589 HA LYS A 592 -30.908 0.641 -59.181 1.00 0.00 H ATOM 1590 HB2 LYS A 592 -33.903 0.155 -59.260 1.00 0.00 H ATOM 1591 HB3 LYS A 592 -33.191 1.785 -59.328 1.00 0.00 H ATOM 1592 HG2 LYS A 592 -31.817 0.811 -61.333 1.00 0.00 H ATOM 1593 HG3 LYS A 592 -33.093 -0.429 -61.367 1.00 0.00 H ATOM 1594 HD2 LYS A 592 -34.808 1.318 -61.570 1.00 0.00 H ATOM 1595 HD3 LYS A 592 -33.553 2.576 -61.485 1.00 0.00 H ATOM 1596 HE2 LYS A 592 -32.528 1.565 -63.538 1.00 0.00 H ATOM 1597 HE3 LYS A 592 -34.134 2.294 -63.777 1.00 0.00 H ATOM 1598 HZ1 LYS A 592 -33.578 -0.597 -63.380 1.00 0.00 H ATOM 1599 HZ2 LYS A 592 -35.111 0.099 -63.607 1.00 0.00 H ATOM 1600 HZ3 LYS A 592 -33.960 0.151 -64.856 1.00 0.00 H ATOM 1601 H LYS A 592 -30.795 -1.583 -59.282 1.00 0.00 H ATOM 1602 N PHE A 593 -31.295 0.065 -56.367 1.00 20.02 N ATOM 1603 CA PHE A 593 -31.051 0.604 -55.021 1.00 23.27 C ATOM 1604 C PHE A 593 -29.842 1.550 -55.046 1.00 23.30 C ATOM 1605 O PHE A 593 -28.774 1.174 -55.522 1.00 23.52 O ATOM 1606 CB PHE A 593 -30.753 -0.530 -54.033 1.00 21.94 C ATOM 1607 CG PHE A 593 -31.963 -1.280 -53.592 1.00 23.99 C ATOM 1608 CD1 PHE A 593 -32.354 -1.264 -52.259 1.00 24.91 C ATOM 1609 CD2 PHE A 593 -32.724 -1.994 -54.508 1.00 26.73 C ATOM 1610 CE1 PHE A 593 -33.476 -1.960 -51.847 1.00 26.08 C ATOM 1611 CE2 PHE A 593 -33.849 -2.682 -54.101 1.00 31.57 C ATOM 1612 CZ PHE A 593 -34.224 -2.666 -52.769 1.00 26.71 C ATOM 1613 HA PHE A 593 -31.946 1.141 -54.706 1.00 0.00 H ATOM 1614 HB2 PHE A 593 -30.069 -1.231 -54.511 1.00 0.00 H ATOM 1615 HB3 PHE A 593 -30.275 -0.101 -53.152 1.00 0.00 H ATOM 1616 HD2 PHE A 593 -32.430 -2.011 -55.558 1.00 0.00 H ATOM 1617 HE2 PHE A 593 -34.442 -3.237 -54.828 1.00 0.00 H ATOM 1618 HZ PHE A 593 -35.111 -3.211 -52.447 1.00 0.00 H ATOM 1619 HE1 PHE A 593 -33.769 -1.951 -50.797 1.00 0.00 H ATOM 1620 HD1 PHE A 593 -31.772 -0.698 -51.532 1.00 0.00 H ATOM 1621 H PHE A 593 -31.012 -0.913 -56.581 1.00 0.00 H ATOM 1622 N THR A 594 -30.012 2.756 -54.514 1.00 24.29 N ATOM 1623 CA THR A 594 -28.915 3.715 -54.380 1.00 21.20 C ATOM 1624 C THR A 594 -28.291 3.566 -52.987 1.00 21.10 C ATOM 1625 O THR A 594 -28.867 2.916 -52.132 1.00 17.68 O ATOM 1626 CB THR A 594 -29.431 5.153 -54.517 1.00 20.07 C ATOM 1627 OG1 THR A 594 -30.296 5.458 -53.413 1.00 22.74 O ATOM 1628 CG2 THR A 594 -30.211 5.320 -55.820 1.00 22.58 C ATOM 1629 HA THR A 594 -28.184 3.516 -55.163 1.00 0.00 H ATOM 1630 HB THR A 594 -28.577 5.830 -54.523 1.00 0.00 H ATOM 1631 HG1 THR A 594 -31.062 4.831 -53.412 1.00 0.00 H ATOM 1632 HG23 THR A 594 -29.560 5.090 -56.664 1.00 0.00 H ATOM 1633 HG21 THR A 594 -31.063 4.641 -55.821 1.00 0.00 H ATOM 1634 HG22 THR A 594 -30.564 6.348 -55.902 1.00 0.00 H ATOM 1635 H THR A 594 -30.959 3.028 -54.181 1.00 0.00 H ATOM 1636 N PRO A 595 -27.117 4.179 -52.753 1.00 19.59 N ATOM 1637 CA PRO A 595 -26.599 4.165 -51.381 1.00 19.23 C ATOM 1638 C PRO A 595 -27.594 4.746 -50.369 1.00 19.71 C ATOM 1639 O PRO A 595 -27.594 4.335 -49.214 1.00 15.96 O ATOM 1640 CB PRO A 595 -25.339 5.027 -51.478 1.00 21.06 C ATOM 1641 CG PRO A 595 -24.869 4.841 -52.928 1.00 15.13 C ATOM 1642 CD PRO A 595 -26.179 4.824 -53.696 1.00 17.25 C ATOM 1643 HA PRO A 595 -26.410 3.154 -51.021 1.00 0.00 H ATOM 1644 HD3 PRO A 595 -26.503 5.836 -53.939 1.00 0.00 H ATOM 1645 HD2 PRO A 595 -26.087 4.243 -54.614 1.00 0.00 H ATOM 1646 HG3 PRO A 595 -24.328 3.903 -53.050 1.00 0.00 H ATOM 1647 HG2 PRO A 595 -24.235 5.669 -53.247 1.00 0.00 H ATOM 1648 HB2 PRO A 595 -25.569 6.073 -51.277 1.00 0.00 H ATOM 1649 HB3 PRO A 595 -24.579 4.682 -50.777 1.00 0.00 H ATOM 1650 N LEU A 596 -28.446 5.674 -50.796 1.00 15.91 N ATOM 1651 CA LEU A 596 -29.413 6.264 -49.873 1.00 20.36 C ATOM 1652 C LEU A 596 -30.508 5.264 -49.501 1.00 17.79 C ATOM 1653 O LEU A 596 -30.942 5.230 -48.361 1.00 18.18 O ATOM 1654 CB LEU A 596 -30.014 7.563 -50.437 1.00 25.20 C ATOM 1655 CG LEU A 596 -30.926 8.372 -49.507 1.00 24.48 C ATOM 1656 CD1 LEU A 596 -30.232 8.721 -48.195 1.00 26.59 C ATOM 1657 CD2 LEU A 596 -31.425 9.657 -50.212 1.00 25.42 C ATOM 1658 HA LEU A 596 -28.875 6.522 -48.961 1.00 0.00 H ATOM 1659 HB2 LEU A 596 -29.186 8.209 -50.728 1.00 0.00 H ATOM 1660 HB3 LEU A 596 -30.596 7.300 -51.320 1.00 0.00 H ATOM 1661 HG LEU A 596 -31.785 7.745 -49.269 1.00 0.00 H ATOM 1662 HD21 LEU A 596 -30.570 10.273 -50.491 1.00 0.00 H ATOM 1663 HD22 LEU A 596 -31.985 9.385 -51.107 1.00 0.00 H ATOM 1664 HD23 LEU A 596 -32.070 10.215 -49.533 1.00 0.00 H ATOM 1665 HD11 LEU A 596 -29.946 7.803 -47.681 1.00 0.00 H ATOM 1666 HD12 LEU A 596 -29.342 9.315 -48.403 1.00 0.00 H ATOM 1667 HD13 LEU A 596 -30.913 9.294 -47.566 1.00 0.00 H ATOM 1668 H LEU A 596 -28.424 5.980 -51.790 1.00 0.00 H ATOM 1669 N HIS A 597 -30.946 4.449 -50.461 1.00 15.58 N ATOM 1670 CA HIS A 597 -31.840 3.334 -50.149 1.00 18.63 C ATOM 1671 C HIS A 597 -31.236 2.441 -49.079 1.00 18.51 C ATOM 1672 O HIS A 597 -31.927 2.042 -48.145 1.00 19.73 O ATOM 1673 CB HIS A 597 -32.078 2.451 -51.372 1.00 14.73 C ATOM 1674 CG HIS A 597 -33.069 2.999 -52.344 1.00 19.10 C ATOM 1675 ND1 HIS A 597 -32.692 3.630 -53.509 1.00 19.50 N ATOM 1676 CD2 HIS A 597 -34.423 2.972 -52.351 1.00 21.01 C ATOM 1677 CE1 HIS A 597 -33.771 3.987 -54.183 1.00 21.34 C ATOM 1678 NE2 HIS A 597 -34.835 3.595 -53.505 1.00 21.62 N ATOM 1679 HA HIS A 597 -32.776 3.777 -49.809 1.00 0.00 H ATOM 1680 HB2 HIS A 597 -31.128 2.322 -51.890 1.00 0.00 H ATOM 1681 HB3 HIS A 597 -32.438 1.481 -51.028 1.00 0.00 H ATOM 1682 HD2 HIS A 597 -35.066 2.538 -51.585 1.00 0.00 H ATOM 1683 HE1 HIS A 597 -33.781 4.515 -55.136 1.00 0.00 H ATOM 1684 H HIS A 597 -30.648 4.608 -51.445 1.00 0.00 H ATOM 1685 N GLU A 598 -29.962 2.081 -49.243 1.00 15.91 N ATOM 1686 CA GLU A 598 -29.283 1.247 -48.241 1.00 20.19 C ATOM 1687 C GLU A 598 -29.256 1.901 -46.864 1.00 21.13 C ATOM 1688 O GLU A 598 -29.610 1.278 -45.860 1.00 21.54 O ATOM 1689 CB GLU A 598 -27.844 0.929 -48.653 1.00 26.06 C ATOM 1690 CG GLU A 598 -27.722 -0.088 -49.759 1.00 35.00 C ATOM 1691 CD GLU A 598 -28.299 -1.443 -49.377 1.00 43.89 C ATOM 1692 OE1 GLU A 598 -28.050 -1.920 -48.245 1.00 41.95 O ATOM 1693 OE2 GLU A 598 -29.012 -2.029 -50.216 1.00 53.02 O ATOM 1694 HA GLU A 598 -29.863 0.326 -48.185 1.00 0.00 H ATOM 1695 HB2 GLU A 598 -27.373 1.854 -48.986 1.00 0.00 H ATOM 1696 HB3 GLU A 598 -27.316 0.548 -47.779 1.00 0.00 H ATOM 1697 HG2 GLU A 598 -28.254 0.283 -50.635 1.00 0.00 H ATOM 1698 HG3 GLU A 598 -26.667 -0.214 -50.002 1.00 0.00 H ATOM 1699 H GLU A 598 -29.444 2.394 -50.089 1.00 0.00 H ATOM 1700 N ALA A 599 -28.808 3.150 -46.813 1.00 20.57 N ATOM 1701 CA ALA A 599 -28.668 3.843 -45.535 1.00 21.07 C ATOM 1702 C ALA A 599 -30.018 3.985 -44.851 1.00 24.52 C ATOM 1703 O ALA A 599 -30.145 3.748 -43.651 1.00 25.46 O ATOM 1704 CB ALA A 599 -28.022 5.213 -45.740 1.00 17.87 C ATOM 1705 HA ALA A 599 -28.021 3.249 -44.890 1.00 0.00 H ATOM 1706 HB1 ALA A 599 -27.035 5.085 -46.185 1.00 0.00 H ATOM 1707 HB2 ALA A 599 -28.646 5.812 -46.403 1.00 0.00 H ATOM 1708 HB3 ALA A 599 -27.925 5.715 -44.778 1.00 0.00 H ATOM 1709 H ALA A 599 -28.554 3.641 -47.694 1.00 0.00 H ATOM 1710 N ALA A 600 -31.025 4.384 -45.616 1.00 20.03 N ATOM 1711 CA ALA A 600 -32.361 4.575 -45.065 1.00 21.41 C ATOM 1712 C ALA A 600 -32.924 3.269 -44.510 1.00 23.52 C ATOM 1713 O ALA A 600 -33.486 3.242 -43.407 1.00 25.48 O ATOM 1714 CB ALA A 600 -33.297 5.126 -46.130 1.00 20.74 C ATOM 1715 HA ALA A 600 -32.284 5.290 -44.246 1.00 0.00 H ATOM 1716 HB1 ALA A 600 -32.917 6.084 -46.485 1.00 0.00 H ATOM 1717 HB2 ALA A 600 -33.351 4.424 -46.962 1.00 0.00 H ATOM 1718 HB3 ALA A 600 -34.290 5.263 -45.703 1.00 0.00 H ATOM 1719 H ALA A 600 -30.859 4.564 -46.627 1.00 0.00 H ATOM 1720 N ALA A 601 -32.799 2.195 -45.287 1.00 22.44 N ATOM 1721 CA ALA A 601 -33.348 0.903 -44.876 1.00 26.06 C ATOM 1722 C ALA A 601 -32.652 0.396 -43.621 1.00 29.71 C ATOM 1723 O ALA A 601 -33.268 -0.272 -42.784 1.00 30.79 O ATOM 1724 CB ALA A 601 -33.234 -0.127 -46.012 1.00 26.08 C ATOM 1725 HA ALA A 601 -34.405 1.042 -44.648 1.00 0.00 H ATOM 1726 HB1 ALA A 601 -33.787 0.229 -46.881 1.00 0.00 H ATOM 1727 HB2 ALA A 601 -32.185 -0.259 -46.277 1.00 0.00 H ATOM 1728 HB3 ALA A 601 -33.649 -1.079 -45.681 1.00 0.00 H ATOM 1729 H ALA A 601 -32.304 2.276 -46.198 1.00 0.00 H ATOM 1730 N LYS A 602 -31.373 0.737 -43.484 1.00 24.81 N ATOM 1731 CA LYS A 602 -30.550 0.215 -42.396 1.00 25.09 C ATOM 1732 C LYS A 602 -30.574 1.114 -41.166 1.00 30.94 C ATOM 1733 O LYS A 602 -29.990 0.780 -40.144 1.00 31.93 O ATOM 1734 CB LYS A 602 -29.101 -0.011 -42.868 1.00 22.57 C ATOM 1735 CG LYS A 602 -28.931 -1.156 -43.864 1.00 26.21 C ATOM 1736 CD LYS A 602 -29.210 -2.521 -43.238 1.00 31.78 C ATOM 1737 CE LYS A 602 -28.067 -3.003 -42.339 1.00 37.58 C ATOM 1738 NZ LYS A 602 -26.937 -3.601 -43.116 1.00 34.53 N ATOM 1739 HA LYS A 602 -30.982 -0.742 -42.104 1.00 0.00 H ATOM 1740 HB2 LYS A 602 -28.749 0.906 -43.340 1.00 0.00 H ATOM 1741 HB3 LYS A 602 -28.487 -0.226 -41.993 1.00 0.00 H ATOM 1742 HG2 LYS A 602 -29.621 -1.004 -44.694 1.00 0.00 H ATOM 1743 HG3 LYS A 602 -27.907 -1.145 -44.238 1.00 0.00 H ATOM 1744 HD2 LYS A 602 -30.119 -2.452 -42.640 1.00 0.00 H ATOM 1745 HD3 LYS A 602 -29.356 -3.248 -44.037 1.00 0.00 H ATOM 1746 HE2 LYS A 602 -28.456 -3.755 -41.653 1.00 0.00 H ATOM 1747 HE3 LYS A 602 -27.689 -2.154 -41.769 1.00 0.00 H ATOM 1748 HZ1 LYS A 602 -27.284 -4.418 -43.658 1.00 0.00 H ATOM 1749 HZ2 LYS A 602 -26.552 -2.889 -43.769 1.00 0.00 H ATOM 1750 HZ3 LYS A 602 -26.192 -3.910 -42.460 1.00 0.00 H ATOM 1751 H LYS A 602 -30.948 1.393 -44.170 1.00 0.00 H ATOM 1752 N GLY A 603 -31.233 2.263 -41.277 1.00 33.28 N ATOM 1753 CA GLY A 603 -31.420 3.153 -40.145 1.00 31.83 C ATOM 1754 C GLY A 603 -30.231 4.033 -39.799 1.00 32.72 C ATOM 1755 O GLY A 603 -30.033 4.380 -38.629 1.00 31.66 O ATOM 1756 HA3 GLY A 603 -31.651 2.542 -39.272 1.00 0.00 H ATOM 1757 HA2 GLY A 603 -32.266 3.804 -40.366 1.00 0.00 H ATOM 1758 H GLY A 603 -31.626 2.532 -42.201 1.00 0.00 H ATOM 1759 N LYS A 604 -29.448 4.411 -40.806 1.00 24.52 N ATOM 1760 CA LYS A 604 -28.262 5.244 -40.588 1.00 24.51 C ATOM 1761 C LYS A 604 -28.521 6.731 -40.858 1.00 32.77 C ATOM 1762 O LYS A 604 -28.324 7.198 -41.985 1.00 27.29 O ATOM 1763 CB LYS A 604 -27.118 4.759 -41.482 1.00 27.76 C ATOM 1764 CG LYS A 604 -26.913 3.251 -41.463 1.00 24.99 C ATOM 1765 CD LYS A 604 -26.585 2.761 -40.063 1.00 29.03 C ATOM 1766 CE LYS A 604 -26.289 1.263 -40.023 1.00 29.21 C ATOM 1767 NZ LYS A 604 -26.134 0.778 -38.611 1.00 36.83 N ATOM 1768 HA LYS A 604 -27.995 5.146 -39.536 1.00 0.00 H ATOM 1769 HB2 LYS A 604 -27.331 5.063 -42.507 1.00 0.00 H ATOM 1770 HB3 LYS A 604 -26.196 5.235 -41.147 1.00 0.00 H ATOM 1771 HG2 LYS A 604 -27.825 2.763 -41.807 1.00 0.00 H ATOM 1772 HG3 LYS A 604 -26.091 2.995 -42.132 1.00 0.00 H ATOM 1773 HD2 LYS A 604 -25.710 3.300 -39.699 1.00 0.00 H ATOM 1774 HD3 LYS A 604 -27.434 2.967 -39.412 1.00 0.00 H ATOM 1775 HE2 LYS A 604 -25.366 1.068 -40.570 1.00 0.00 H ATOM 1776 HE3 LYS A 604 -27.111 0.725 -40.496 1.00 0.00 H ATOM 1777 HZ1 LYS A 604 -25.348 1.284 -38.156 1.00 0.00 H ATOM 1778 HZ2 LYS A 604 -27.014 0.957 -38.086 1.00 0.00 H ATOM 1779 HZ3 LYS A 604 -25.934 -0.243 -38.616 1.00 0.00 H ATOM 1780 H LYS A 604 -29.684 4.108 -41.772 1.00 0.00 H ATOM 1781 N TYR A 605 -28.954 7.481 -39.840 1.00 24.94 N ATOM 1782 CA TYR A 605 -29.256 8.899 -40.036 1.00 28.36 C ATOM 1783 C TYR A 605 -28.108 9.728 -40.616 1.00 23.59 C ATOM 1784 O TYR A 605 -28.280 10.403 -41.639 1.00 31.04 O ATOM 1785 CB TYR A 605 -29.757 9.568 -38.743 1.00 33.87 C ATOM 1786 CG TYR A 605 -30.032 11.049 -38.906 1.00 39.19 C ATOM 1787 CD1 TYR A 605 -31.249 11.503 -39.411 1.00 40.10 C ATOM 1788 CD2 TYR A 605 -29.077 11.993 -38.563 1.00 34.12 C ATOM 1789 CE1 TYR A 605 -31.502 12.858 -39.566 1.00 40.19 C ATOM 1790 CE2 TYR A 605 -29.320 13.348 -38.711 1.00 35.45 C ATOM 1791 CZ TYR A 605 -30.534 13.774 -39.213 1.00 40.85 C ATOM 1792 OH TYR A 605 -30.774 15.123 -39.358 1.00 44.90 O ATOM 1793 HA TYR A 605 -30.049 8.890 -40.783 1.00 0.00 H ATOM 1794 HB3 TYR A 605 -29.000 9.439 -37.970 1.00 0.00 H ATOM 1795 HB2 TYR A 605 -30.679 9.076 -38.433 1.00 0.00 H ATOM 1796 HD2 TYR A 605 -28.116 11.662 -38.169 1.00 0.00 H ATOM 1797 HE2 TYR A 605 -28.557 14.075 -38.433 1.00 0.00 H ATOM 1798 HE1 TYR A 605 -32.459 13.196 -39.964 1.00 0.00 H ATOM 1799 HD1 TYR A 605 -32.016 10.780 -39.689 1.00 0.00 H ATOM 1800 HH TYR A 605 -31.683 15.258 -39.727 1.00 0.00 H ATOM 1801 H TYR A 605 -29.077 7.053 -38.900 1.00 0.00 H ATOM 1802 N GLU A 606 -26.943 9.705 -39.971 1.00 28.52 N ATOM 1803 CA GLU A 606 -25.882 10.617 -40.388 1.00 32.15 C ATOM 1804 C GLU A 606 -25.357 10.272 -41.776 1.00 28.44 C ATOM 1805 O GLU A 606 -24.982 11.172 -42.531 1.00 34.08 O ATOM 1806 CB GLU A 606 -24.751 10.714 -39.358 1.00 34.75 C ATOM 1807 CG GLU A 606 -25.082 11.643 -38.192 1.00 34.07 C ATOM 1808 CD GLU A 606 -23.994 11.663 -37.152 1.00 50.44 C ATOM 1809 OE1 GLU A 606 -22.830 11.936 -37.511 1.00 56.64 O ATOM 1810 OE2 GLU A 606 -24.303 11.398 -35.974 1.00 59.53 O ATOM 1811 HA GLU A 606 -26.330 11.609 -40.447 1.00 0.00 H ATOM 1812 HB2 GLU A 606 -24.554 9.717 -38.963 1.00 0.00 H ATOM 1813 HB3 GLU A 606 -23.857 11.088 -39.858 1.00 0.00 H ATOM 1814 HG2 GLU A 606 -25.219 12.654 -38.576 1.00 0.00 H ATOM 1815 HG3 GLU A 606 -26.007 11.305 -37.726 1.00 0.00 H ATOM 1816 H GLU A 606 -26.791 9.046 -39.181 1.00 0.00 H ATOM 1817 N ILE A 607 -25.367 8.984 -42.118 1.00 29.05 N ATOM 1818 CA ILE A 607 -25.041 8.560 -43.479 1.00 25.07 C ATOM 1819 C ILE A 607 -26.071 9.148 -44.448 1.00 23.02 C ATOM 1820 O ILE A 607 -25.709 9.738 -45.462 1.00 27.81 O ATOM 1821 CB ILE A 607 -24.999 7.020 -43.637 1.00 21.86 C ATOM 1822 CG1 ILE A 607 -23.941 6.387 -42.721 1.00 32.19 C ATOM 1823 CG2 ILE A 607 -24.690 6.640 -45.099 1.00 21.77 C ATOM 1824 CD1 ILE A 607 -22.538 6.438 -43.263 1.00 31.35 C ATOM 1825 HA ILE A 607 -24.041 8.929 -43.705 1.00 0.00 H ATOM 1826 HB ILE A 607 -25.980 6.638 -43.353 1.00 0.00 H ATOM 1827 HG12 ILE A 607 -23.957 6.913 -41.767 1.00 0.00 H ATOM 1828 HG13 ILE A 607 -24.208 5.342 -42.563 1.00 0.00 H ATOM 1829 HD11 ILE A 607 -22.497 5.905 -44.213 1.00 0.00 H ATOM 1830 HD12 ILE A 607 -22.246 7.477 -43.416 1.00 0.00 H ATOM 1831 HD13 ILE A 607 -21.858 5.969 -42.552 1.00 0.00 H ATOM 1832 HG21 ILE A 607 -25.466 7.044 -45.750 1.00 0.00 H ATOM 1833 HG22 ILE A 607 -23.723 7.054 -45.384 1.00 0.00 H ATOM 1834 HG23 ILE A 607 -24.664 5.554 -45.193 1.00 0.00 H ATOM 1835 H ILE A 607 -25.611 8.268 -41.404 1.00 0.00 H ATOM 1836 N CYS A 608 -27.354 9.006 -44.127 1.00 24.16 N ATOM 1837 CA CYS A 608 -28.412 9.575 -44.966 1.00 23.96 C ATOM 1838 C CYS A 608 -28.190 11.067 -45.193 1.00 26.69 C ATOM 1839 O CYS A 608 -28.313 11.566 -46.314 1.00 28.25 O ATOM 1840 CB CYS A 608 -29.796 9.354 -44.345 1.00 25.58 C ATOM 1841 SG CYS A 608 -30.430 7.660 -44.488 1.00 26.50 S ATOM 1842 HA CYS A 608 -28.371 9.059 -45.925 1.00 0.00 H ATOM 1843 HB2 CYS A 608 -30.501 10.023 -44.839 1.00 0.00 H ATOM 1844 HB3 CYS A 608 -29.738 9.607 -43.286 1.00 0.00 H ATOM 1845 HG CYS A 608 -29.565 6.792 -43.854 1.00 0.00 H ATOM 1846 H CYS A 608 -27.611 8.482 -43.266 1.00 0.00 H ATOM 1847 N LYS A 609 -27.839 11.769 -44.126 1.00 28.77 N ATOM 1848 CA LYS A 609 -27.640 13.214 -44.198 1.00 29.47 C ATOM 1849 C LYS A 609 -26.424 13.578 -45.032 1.00 34.57 C ATOM 1850 O LYS A 609 -26.432 14.581 -45.752 1.00 35.18 O ATOM 1851 CB LYS A 609 -27.518 13.799 -42.799 1.00 32.62 C ATOM 1852 CG LYS A 609 -27.383 15.310 -42.771 1.00 35.54 C ATOM 1853 CD LYS A 609 -27.128 15.780 -41.355 1.00 42.18 C ATOM 1854 CE LYS A 609 -26.840 17.263 -41.302 1.00 48.15 C ATOM 1855 NZ LYS A 609 -26.378 17.657 -39.941 1.00 50.18 N ATOM 1856 HA LYS A 609 -28.513 13.642 -44.690 1.00 0.00 H ATOM 1857 HB2 LYS A 609 -28.408 13.524 -42.233 1.00 0.00 H ATOM 1858 HB3 LYS A 609 -26.638 13.367 -42.322 1.00 0.00 H ATOM 1859 HG2 LYS A 609 -26.550 15.610 -43.407 1.00 0.00 H ATOM 1860 HG3 LYS A 609 -28.303 15.762 -43.142 1.00 0.00 H ATOM 1861 HD2 LYS A 609 -28.009 15.569 -40.748 1.00 0.00 H ATOM 1862 HD3 LYS A 609 -26.272 15.239 -40.952 1.00 0.00 H ATOM 1863 HE2 LYS A 609 -27.748 17.814 -41.546 1.00 0.00 H ATOM 1864 HE3 LYS A 609 -26.064 17.504 -42.028 1.00 0.00 H ATOM 1865 HZ1 LYS A 609 -27.118 17.431 -39.246 1.00 0.00 H ATOM 1866 HZ2 LYS A 609 -25.510 17.135 -39.706 1.00 0.00 H ATOM 1867 HZ3 LYS A 609 -26.185 18.679 -39.924 1.00 0.00 H ATOM 1868 H LYS A 609 -27.702 11.281 -43.218 1.00 0.00 H ATOM 1869 N LEU A 610 -25.383 12.750 -44.938 1.00 32.29 N ATOM 1870 CA LEU A 610 -24.149 12.948 -45.682 1.00 29.04 C ATOM 1871 C LEU A 610 -24.459 12.823 -47.169 1.00 33.50 C ATOM 1872 O LEU A 610 -24.052 13.654 -47.977 1.00 32.17 O ATOM 1873 CB LEU A 610 -23.129 11.880 -45.259 1.00 28.98 C ATOM 1874 CG LEU A 610 -21.614 12.026 -45.387 1.00 40.38 C ATOM 1875 CD1 LEU A 610 -20.974 10.627 -45.469 1.00 29.09 C ATOM 1876 CD2 LEU A 610 -21.178 12.924 -46.549 1.00 41.33 C ATOM 1877 HA LEU A 610 -23.730 13.934 -45.478 1.00 0.00 H ATOM 1878 HB2 LEU A 610 -23.317 11.699 -44.201 1.00 0.00 H ATOM 1879 HB3 LEU A 610 -23.386 10.988 -45.830 1.00 0.00 H ATOM 1880 HG LEU A 610 -21.256 12.538 -44.494 1.00 0.00 H ATOM 1881 HD21 LEU A 610 -21.545 12.506 -47.487 1.00 0.00 H ATOM 1882 HD22 LEU A 610 -21.590 13.923 -46.409 1.00 0.00 H ATOM 1883 HD23 LEU A 610 -20.090 12.979 -46.575 1.00 0.00 H ATOM 1884 HD11 LEU A 610 -21.213 10.066 -44.565 1.00 0.00 H ATOM 1885 HD12 LEU A 610 -21.366 10.100 -46.339 1.00 0.00 H ATOM 1886 HD13 LEU A 610 -19.893 10.728 -45.560 1.00 0.00 H ATOM 1887 H LEU A 610 -25.457 11.928 -44.306 1.00 0.00 H ATOM 1888 N LEU A 611 -25.182 11.765 -47.527 1.00 25.19 N ATOM 1889 CA LEU A 611 -25.558 11.527 -48.908 1.00 22.49 C ATOM 1890 C LEU A 611 -26.378 12.695 -49.475 1.00 25.42 C ATOM 1891 O LEU A 611 -26.144 13.148 -50.597 1.00 28.37 O ATOM 1892 CB LEU A 611 -26.346 10.224 -48.999 1.00 20.91 C ATOM 1893 CG LEU A 611 -25.481 9.016 -48.632 1.00 22.20 C ATOM 1894 CD1 LEU A 611 -26.325 7.732 -48.534 1.00 18.78 C ATOM 1895 CD2 LEU A 611 -24.391 8.873 -49.667 1.00 23.21 C ATOM 1896 HA LEU A 611 -24.651 11.446 -49.507 1.00 0.00 H ATOM 1897 HB2 LEU A 611 -27.193 10.274 -48.315 1.00 0.00 H ATOM 1898 HB3 LEU A 611 -26.711 10.101 -50.019 1.00 0.00 H ATOM 1899 HG LEU A 611 -25.035 9.175 -47.650 1.00 0.00 H ATOM 1900 HD21 LEU A 611 -24.841 8.724 -50.649 1.00 0.00 H ATOM 1901 HD22 LEU A 611 -23.782 9.777 -49.679 1.00 0.00 H ATOM 1902 HD23 LEU A 611 -23.766 8.015 -49.418 1.00 0.00 H ATOM 1903 HD11 LEU A 611 -27.089 7.858 -47.766 1.00 0.00 H ATOM 1904 HD12 LEU A 611 -26.802 7.538 -49.495 1.00 0.00 H ATOM 1905 HD13 LEU A 611 -25.680 6.894 -48.272 1.00 0.00 H ATOM 1906 H LEU A 611 -25.486 11.090 -46.797 1.00 0.00 H ATOM 1907 N LEU A 612 -27.342 13.164 -48.704 1.00 24.93 N ATOM 1908 CA LEU A 612 -28.213 14.247 -49.161 1.00 33.56 C ATOM 1909 C LEU A 612 -27.430 15.510 -49.546 1.00 44.09 C ATOM 1910 O LEU A 612 -27.700 16.138 -50.573 1.00 48.20 O ATOM 1911 CB LEU A 612 -29.264 14.567 -48.100 1.00 31.96 C ATOM 1912 CG LEU A 612 -30.335 13.482 -47.987 1.00 29.77 C ATOM 1913 CD1 LEU A 612 -31.105 13.589 -46.690 1.00 30.92 C ATOM 1914 CD2 LEU A 612 -31.261 13.541 -49.185 1.00 33.87 C ATOM 1915 HA LEU A 612 -28.712 13.898 -50.065 1.00 0.00 H ATOM 1916 HB2 LEU A 612 -28.767 14.669 -47.135 1.00 0.00 H ATOM 1917 HB3 LEU A 612 -29.747 15.509 -48.360 1.00 0.00 H ATOM 1918 HG LEU A 612 -29.838 12.512 -47.979 1.00 0.00 H ATOM 1919 HD21 LEU A 612 -31.742 14.518 -49.223 1.00 0.00 H ATOM 1920 HD22 LEU A 612 -30.684 13.383 -50.096 1.00 0.00 H ATOM 1921 HD23 LEU A 612 -32.020 12.764 -49.095 1.00 0.00 H ATOM 1922 HD11 LEU A 612 -30.418 13.482 -45.851 1.00 0.00 H ATOM 1923 HD12 LEU A 612 -31.594 14.562 -46.639 1.00 0.00 H ATOM 1924 HD13 LEU A 612 -31.856 12.800 -46.649 1.00 0.00 H ATOM 1925 H LEU A 612 -27.484 12.757 -47.757 1.00 0.00 H ATOM 1926 N GLN A 613 -26.458 15.869 -48.719 1.00 46.50 N ATOM 1927 CA GLN A 613 -25.651 17.063 -48.940 1.00 48.80 C ATOM 1928 C GLN A 613 -24.794 16.956 -50.197 1.00 46.41 C ATOM 1929 O GLN A 613 -24.429 17.968 -50.800 1.00 46.32 O ATOM 1930 CB GLN A 613 -24.770 17.324 -47.721 1.00 49.06 C ATOM 1931 CG GLN A 613 -25.525 17.270 -46.401 1.00 49.71 C ATOM 1932 CD GLN A 613 -24.601 17.151 -45.208 1.00 55.05 C ATOM 1933 OE1 GLN A 613 -25.029 17.274 -44.063 1.00 63.33 O ATOM 1934 NE2 GLN A 613 -23.324 16.913 -45.471 1.00 55.98 N ATOM 1935 HA GLN A 613 -26.334 17.900 -49.087 1.00 0.00 H ATOM 1936 HB2 GLN A 613 -23.981 16.572 -47.698 1.00 0.00 H ATOM 1937 HB3 GLN A 613 -24.324 18.313 -47.823 1.00 0.00 H ATOM 1938 HG2 GLN A 613 -26.114 18.181 -46.298 1.00 0.00 H ATOM 1939 HG3 GLN A 613 -26.192 16.408 -46.414 1.00 0.00 H ATOM 1940 HE22 GLN A 613 -23.005 16.816 -46.456 1.00 0.00 H ATOM 1941 HE21 GLN A 613 -22.641 16.823 -44.692 1.00 0.00 H ATOM 1942 H GLN A 613 -26.265 15.279 -47.885 1.00 0.00 H ATOM 1943 N HIS A 614 -24.472 15.729 -50.593 1.00 36.26 N ATOM 1944 CA HIS A 614 -23.678 15.527 -51.797 1.00 30.76 C ATOM 1945 C HIS A 614 -24.562 15.279 -53.017 1.00 32.65 C ATOM 1946 O HIS A 614 -24.087 14.876 -54.080 1.00 46.25 O ATOM 1947 CB HIS A 614 -22.625 14.446 -51.576 1.00 33.59 C ATOM 1948 CG HIS A 614 -21.491 14.898 -50.706 1.00 39.74 C ATOM 1949 ND1 HIS A 614 -21.514 14.786 -49.333 1.00 39.57 N ATOM 1950 CD2 HIS A 614 -20.315 15.497 -51.013 1.00 41.61 C ATOM 1951 CE1 HIS A 614 -20.395 15.279 -48.832 1.00 39.58 C ATOM 1952 NE2 HIS A 614 -19.650 15.718 -49.830 1.00 43.15 N ATOM 1953 HA HIS A 614 -23.134 16.446 -52.014 1.00 0.00 H ATOM 1954 HB2 HIS A 614 -23.103 13.587 -51.105 1.00 0.00 H ATOM 1955 HB3 HIS A 614 -22.223 14.150 -52.545 1.00 0.00 H ATOM 1956 HD2 HIS A 614 -19.962 15.755 -52.011 1.00 0.00 H ATOM 1957 HE1 HIS A 614 -20.132 15.317 -47.775 1.00 0.00 H ATOM 1958 H HIS A 614 -24.789 14.908 -50.039 1.00 0.00 H ATOM 1959 N GLY A 615 -25.853 15.558 -52.848 1.00 36.89 N ATOM 1960 CA GLY A 615 -26.798 15.562 -53.947 1.00 35.54 C ATOM 1961 C GLY A 615 -27.568 14.276 -54.147 1.00 36.84 C ATOM 1962 O GLY A 615 -28.138 14.062 -55.215 1.00 40.86 O ATOM 1963 HA3 GLY A 615 -26.247 15.770 -54.864 1.00 0.00 H ATOM 1964 HA2 GLY A 615 -27.518 16.361 -53.769 1.00 0.00 H ATOM 1965 H GLY A 615 -26.196 15.781 -51.892 1.00 0.00 H ATOM 1966 N ALA A 616 -27.582 13.412 -53.138 1.00 31.57 N ATOM 1967 CA ALA A 616 -28.370 12.189 -53.224 1.00 37.52 C ATOM 1968 C ALA A 616 -29.848 12.531 -53.408 1.00 37.80 C ATOM 1969 O ALA A 616 -30.402 13.364 -52.684 1.00 36.06 O ATOM 1970 CB ALA A 616 -28.172 11.328 -51.996 1.00 34.44 C ATOM 1971 HA ALA A 616 -28.029 11.620 -54.089 1.00 0.00 H ATOM 1972 HB1 ALA A 616 -27.119 11.060 -51.907 1.00 0.00 H ATOM 1973 HB2 ALA A 616 -28.483 11.883 -51.111 1.00 0.00 H ATOM 1974 HB3 ALA A 616 -28.772 10.423 -52.088 1.00 0.00 H ATOM 1975 H ALA A 616 -27.027 13.610 -52.281 1.00 0.00 H ATOM 1976 N ASP A 617 -30.471 11.883 -54.386 1.00 38.35 N ATOM 1977 CA ASP A 617 -31.869 12.133 -54.718 1.00 37.60 C ATOM 1978 C ASP A 617 -32.780 11.170 -53.960 1.00 37.75 C ATOM 1979 O ASP A 617 -32.817 9.976 -54.257 1.00 35.25 O ATOM 1980 CB ASP A 617 -32.068 11.996 -56.227 1.00 38.28 C ATOM 1981 CG ASP A 617 -33.512 12.196 -56.655 1.00 43.68 C ATOM 1982 OD1 ASP A 617 -34.357 12.556 -55.806 1.00 35.49 O ATOM 1983 OD2 ASP A 617 -33.798 12.000 -57.857 1.00 50.28 O ATOM 1984 HA ASP A 617 -32.133 13.147 -54.418 1.00 0.00 H ATOM 1985 HB2 ASP A 617 -31.450 12.741 -56.728 1.00 0.00 H ATOM 1986 HB3 ASP A 617 -31.750 10.999 -56.531 1.00 0.00 H ATOM 1987 H ASP A 617 -29.944 11.173 -54.934 1.00 0.00 H ATOM 1988 N PRO A 618 -33.524 11.697 -52.975 1.00 42.46 N ATOM 1989 CA PRO A 618 -34.428 10.913 -52.124 1.00 36.34 C ATOM 1990 C PRO A 618 -35.728 10.510 -52.826 1.00 33.95 C ATOM 1991 O PRO A 618 -36.569 9.865 -52.201 1.00 35.14 O ATOM 1992 CB PRO A 618 -34.736 11.874 -50.977 1.00 36.15 C ATOM 1993 CG PRO A 618 -34.645 13.232 -51.609 1.00 43.87 C ATOM 1994 CD PRO A 618 -33.554 13.134 -52.644 1.00 45.75 C ATOM 1995 HA PRO A 618 -33.972 9.970 -51.823 1.00 0.00 H ATOM 1996 HD3 PRO A 618 -33.795 13.732 -53.523 1.00 0.00 H ATOM 1997 HD2 PRO A 618 -32.598 13.460 -52.235 1.00 0.00 H ATOM 1998 HG3 PRO A 618 -34.392 13.983 -50.860 1.00 0.00 H ATOM 1999 HG2 PRO A 618 -35.592 13.496 -52.080 1.00 0.00 H ATOM 2000 HB2 PRO A 618 -35.736 11.697 -50.580 1.00 0.00 H ATOM 2001 HB3 PRO A 618 -34.004 11.769 -50.176 1.00 0.00 H ATOM 2002 N THR A 619 -35.885 10.879 -54.095 1.00 36.56 N ATOM 2003 CA THR A 619 -37.092 10.531 -54.850 1.00 38.82 C ATOM 2004 C THR A 619 -36.851 9.379 -55.818 1.00 36.97 C ATOM 2005 O THR A 619 -37.793 8.855 -56.414 1.00 34.44 O ATOM 2006 CB THR A 619 -37.672 11.738 -55.642 1.00 41.60 C ATOM 2007 OG1 THR A 619 -36.911 11.958 -56.839 1.00 42.01 O ATOM 2008 CG2 THR A 619 -37.679 12.996 -54.784 1.00 38.24 C ATOM 2009 HA THR A 619 -37.819 10.224 -54.099 1.00 0.00 H ATOM 2010 HB THR A 619 -38.701 11.505 -55.915 1.00 0.00 H ATOM 2011 HG1 THR A 619 -35.970 12.149 -56.600 1.00 0.00 H ATOM 2012 HG23 THR A 619 -38.260 12.814 -53.880 1.00 0.00 H ATOM 2013 HG21 THR A 619 -36.655 13.256 -54.514 1.00 0.00 H ATOM 2014 HG22 THR A 619 -38.127 13.815 -55.346 1.00 0.00 H ATOM 2015 H THR A 619 -35.134 11.427 -54.562 1.00 0.00 H ATOM 2016 N LYS A 620 -35.588 8.993 -55.980 1.00 34.21 N ATOM 2017 CA LYS A 620 -35.244 7.892 -56.865 1.00 31.29 C ATOM 2018 C LYS A 620 -35.908 6.607 -56.399 1.00 31.60 C ATOM 2019 O LYS A 620 -35.738 6.180 -55.249 1.00 25.05 O ATOM 2020 CB LYS A 620 -33.730 7.680 -56.924 1.00 31.65 C ATOM 2021 CG LYS A 620 -32.951 8.799 -57.579 1.00 43.04 C ATOM 2022 CD LYS A 620 -32.957 8.692 -59.098 1.00 49.88 C ATOM 2023 CE LYS A 620 -31.822 9.520 -59.693 1.00 56.82 C ATOM 2024 NZ LYS A 620 -31.865 9.569 -61.180 1.00 64.28 N ATOM 2025 HA LYS A 620 -35.603 8.150 -57.861 1.00 0.00 H ATOM 2026 HB2 LYS A 620 -33.365 7.566 -55.903 1.00 0.00 H ATOM 2027 HB3 LYS A 620 -33.538 6.763 -57.482 1.00 0.00 H ATOM 2028 HG2 LYS A 620 -33.396 9.752 -57.292 1.00 0.00 H ATOM 2029 HG3 LYS A 620 -31.920 8.761 -57.228 1.00 0.00 H ATOM 2030 HD2 LYS A 620 -32.830 7.648 -59.386 1.00 0.00 H ATOM 2031 HD3 LYS A 620 -33.909 9.060 -59.481 1.00 0.00 H ATOM 2032 HE2 LYS A 620 -30.872 9.082 -59.386 1.00 0.00 H ATOM 2033 HE3 LYS A 620 -31.893 10.537 -59.308 1.00 0.00 H ATOM 2034 HZ1 LYS A 620 -31.789 8.604 -61.560 1.00 0.00 H ATOM 2035 HZ2 LYS A 620 -32.764 9.993 -61.486 1.00 0.00 H ATOM 2036 HZ3 LYS A 620 -31.072 10.144 -61.530 1.00 0.00 H ATOM 2037 H LYS A 620 -34.833 9.488 -55.464 1.00 0.00 H ATOM 2038 N LYS A 621 -36.648 5.990 -57.311 1.00 29.87 N ATOM 2039 CA LYS A 621 -37.308 4.724 -57.051 1.00 29.24 C ATOM 2040 C LYS A 621 -36.434 3.576 -57.528 1.00 28.55 C ATOM 2041 O LYS A 621 -35.828 3.642 -58.605 1.00 30.25 O ATOM 2042 CB LYS A 621 -38.668 4.688 -57.768 1.00 27.83 C ATOM 2043 CG LYS A 621 -39.586 5.836 -57.367 1.00 32.31 C ATOM 2044 CD LYS A 621 -40.970 5.722 -57.982 1.00 41.51 C ATOM 2045 CE LYS A 621 -41.875 6.837 -57.472 1.00 51.87 C ATOM 2046 NZ LYS A 621 -43.281 6.698 -57.945 1.00 55.24 N ATOM 2047 HA LYS A 621 -37.471 4.619 -55.978 1.00 0.00 H ATOM 2048 HB2 LYS A 621 -38.495 4.741 -58.843 1.00 0.00 H ATOM 2049 HB3 LYS A 621 -39.163 3.747 -57.527 1.00 0.00 H ATOM 2050 HG2 LYS A 621 -39.686 5.840 -56.282 1.00 0.00 H ATOM 2051 HG3 LYS A 621 -39.135 6.773 -57.693 1.00 0.00 H ATOM 2052 HD2 LYS A 621 -40.888 5.794 -59.066 1.00 0.00 H ATOM 2053 HD3 LYS A 621 -41.403 4.758 -57.715 1.00 0.00 H ATOM 2054 HE2 LYS A 621 -41.482 7.792 -57.821 1.00 0.00 H ATOM 2055 HE3 LYS A 621 -41.870 6.820 -56.382 1.00 0.00 H ATOM 2056 HZ1 LYS A 621 -43.300 6.722 -58.985 1.00 0.00 H ATOM 2057 HZ2 LYS A 621 -43.670 5.793 -57.611 1.00 0.00 H ATOM 2058 HZ3 LYS A 621 -43.851 7.482 -57.569 1.00 0.00 H ATOM 2059 H LYS A 621 -36.759 6.430 -58.247 1.00 0.00 H ATOM 2060 N ASN A 622 -36.363 2.519 -56.730 1.00 24.75 N ATOM 2061 CA ASN A 622 -35.717 1.302 -57.196 1.00 24.43 C ATOM 2062 C ASN A 622 -36.671 0.554 -58.131 1.00 27.24 C ATOM 2063 O ASN A 622 -37.720 1.093 -58.509 1.00 27.30 O ATOM 2064 CB ASN A 622 -35.273 0.430 -56.022 1.00 24.43 C ATOM 2065 CG ASN A 622 -36.413 0.084 -55.086 1.00 22.13 C ATOM 2066 OD1 ASN A 622 -37.582 0.061 -55.484 1.00 23.37 O ATOM 2067 ND2 ASN A 622 -36.073 -0.204 -53.828 1.00 18.79 N ATOM 2068 HA ASN A 622 -34.815 1.560 -57.751 1.00 0.00 H ATOM 2069 HB2 ASN A 622 -34.851 -0.495 -56.415 1.00 0.00 H ATOM 2070 HB3 ASN A 622 -34.509 0.966 -55.458 1.00 0.00 H ATOM 2071 HD22 ASN A 622 -35.075 -0.171 -53.539 1.00 0.00 H ATOM 2072 HD21 ASN A 622 -36.806 -0.461 -53.137 1.00 0.00 H ATOM 2073 H ASN A 622 -36.768 2.560 -55.773 1.00 0.00 H ATOM 2074 N ARG A 623 -36.319 -0.669 -58.520 1.00 30.76 N ATOM 2075 CA ARG A 623 -37.115 -1.367 -59.531 1.00 33.29 C ATOM 2076 C ARG A 623 -38.515 -1.688 -59.024 1.00 31.43 C ATOM 2077 O ARG A 623 -39.442 -1.865 -59.818 1.00 33.60 O ATOM 2078 CB ARG A 623 -36.428 -2.638 -60.036 1.00 33.73 C ATOM 2079 CG ARG A 623 -35.300 -2.364 -61.000 1.00 42.67 C ATOM 2080 CD ARG A 623 -34.860 -3.611 -61.749 1.00 50.36 C ATOM 2081 NE ARG A 623 -33.615 -3.363 -62.462 1.00 52.86 N ATOM 2082 CZ ARG A 623 -33.538 -2.795 -63.662 1.00 55.99 C ATOM 2083 NH1 ARG A 623 -34.641 -2.418 -64.297 1.00 56.74 N ATOM 2084 NH2 ARG A 623 -32.354 -2.599 -64.228 1.00 56.29 N ATOM 2085 HA ARG A 623 -37.204 -0.681 -60.374 1.00 0.00 H ATOM 2086 HB2 ARG A 623 -36.027 -3.179 -59.179 1.00 0.00 H ATOM 2087 HB3 ARG A 623 -37.171 -3.257 -60.539 1.00 0.00 H ATOM 2088 HG2 ARG A 623 -35.631 -1.619 -61.724 1.00 0.00 H ATOM 2089 HG3 ARG A 623 -34.450 -1.973 -60.442 1.00 0.00 H ATOM 2090 HD2 ARG A 623 -35.633 -3.893 -62.464 1.00 0.00 H ATOM 2091 HD3 ARG A 623 -34.711 -4.424 -61.038 1.00 0.00 H ATOM 2092 HE ARG A 623 -32.727 -3.649 -62.002 1.00 0.00 H ATOM 2093 HH12 ARG A 623 -34.575 -1.974 -65.235 1.00 0.00 H ATOM 2094 HH11 ARG A 623 -35.571 -2.566 -63.856 1.00 0.00 H ATOM 2095 HH22 ARG A 623 -32.293 -2.155 -65.166 1.00 0.00 H ATOM 2096 HH21 ARG A 623 -31.487 -2.890 -63.733 1.00 0.00 H ATOM 2097 H ARG A 623 -35.482 -1.127 -58.107 1.00 0.00 H ATOM 2098 N ASP A 624 -38.656 -1.755 -57.703 1.00 28.24 N ATOM 2099 CA ASP A 624 -39.944 -2.025 -57.072 1.00 31.29 C ATOM 2100 C ASP A 624 -40.854 -0.792 -57.068 1.00 35.30 C ATOM 2101 O ASP A 624 -42.073 -0.906 -56.907 1.00 37.33 O ATOM 2102 CB ASP A 624 -39.758 -2.503 -55.629 1.00 32.13 C ATOM 2103 CG ASP A 624 -38.946 -3.782 -55.520 1.00 38.56 C ATOM 2104 OD1 ASP A 624 -39.022 -4.631 -56.433 1.00 37.05 O ATOM 2105 OD2 ASP A 624 -38.240 -3.944 -54.496 1.00 39.33 O ATOM 2106 HA ASP A 624 -40.418 -2.808 -57.664 1.00 0.00 H ATOM 2107 HB2 ASP A 624 -39.248 -1.720 -55.068 1.00 0.00 H ATOM 2108 HB3 ASP A 624 -40.741 -2.679 -55.193 1.00 0.00 H ATOM 2109 H ASP A 624 -37.821 -1.610 -57.100 1.00 0.00 H ATOM 2110 N GLY A 625 -40.260 0.385 -57.230 1.00 28.25 N ATOM 2111 CA GLY A 625 -41.008 1.624 -57.142 1.00 28.76 C ATOM 2112 C GLY A 625 -40.906 2.258 -55.764 1.00 24.02 C ATOM 2113 O GLY A 625 -41.631 3.199 -55.459 1.00 28.35 O ATOM 2114 HA3 GLY A 625 -42.056 1.418 -57.357 1.00 0.00 H ATOM 2115 HA2 GLY A 625 -40.617 2.324 -57.881 1.00 0.00 H ATOM 2116 H GLY A 625 -39.239 0.418 -57.424 1.00 0.00 H ATOM 2117 N ASN A 626 -39.998 1.749 -54.938 1.00 22.62 N ATOM 2118 CA ASN A 626 -39.788 2.311 -53.600 1.00 21.04 C ATOM 2119 C ASN A 626 -38.667 3.338 -53.566 1.00 21.15 C ATOM 2120 O ASN A 626 -37.603 3.142 -54.171 1.00 24.02 O ATOM 2121 CB ASN A 626 -39.502 1.205 -52.588 1.00 22.78 C ATOM 2122 CG ASN A 626 -40.737 0.382 -52.265 1.00 25.99 C ATOM 2123 OD1 ASN A 626 -41.830 0.926 -52.070 1.00 30.34 O ATOM 2124 ND2 ASN A 626 -40.574 -0.937 -52.226 1.00 23.52 N ATOM 2125 HA ASN A 626 -40.712 2.823 -53.331 1.00 0.00 H ATOM 2126 HB2 ASN A 626 -38.738 0.544 -52.998 1.00 0.00 H ATOM 2127 HB3 ASN A 626 -39.133 1.659 -51.668 1.00 0.00 H ATOM 2128 HD22 ASN A 626 -39.635 -1.350 -52.397 1.00 0.00 H ATOM 2129 HD21 ASN A 626 -41.386 -1.556 -52.025 1.00 0.00 H ATOM 2130 H ASN A 626 -39.426 0.937 -55.246 1.00 0.00 H ATOM 2131 N THR A 627 -38.919 4.433 -52.864 1.00 22.25 N ATOM 2132 CA THR A 627 -37.907 5.461 -52.648 1.00 23.77 C ATOM 2133 C THR A 627 -37.122 5.132 -51.377 1.00 26.02 C ATOM 2134 O THR A 627 -37.479 4.194 -50.648 1.00 22.73 O ATOM 2135 CB THR A 627 -38.555 6.847 -52.508 1.00 24.02 C ATOM 2136 OG1 THR A 627 -39.322 6.900 -51.294 1.00 24.46 O ATOM 2137 CG2 THR A 627 -39.464 7.138 -53.706 1.00 27.64 C ATOM 2138 HA THR A 627 -37.238 5.481 -53.508 1.00 0.00 H ATOM 2139 HB THR A 627 -37.768 7.600 -52.476 1.00 0.00 H ATOM 2140 HG1 THR A 627 -39.738 7.794 -51.207 1.00 0.00 H ATOM 2141 HG23 THR A 627 -38.878 7.097 -54.624 1.00 0.00 H ATOM 2142 HG21 THR A 627 -40.259 6.393 -53.747 1.00 0.00 H ATOM 2143 HG22 THR A 627 -39.900 8.131 -53.597 1.00 0.00 H ATOM 2144 H THR A 627 -39.866 4.563 -52.455 1.00 0.00 H ATOM 2145 N PRO A 628 -36.022 5.863 -51.120 1.00 18.13 N ATOM 2146 CA PRO A 628 -35.371 5.584 -49.840 1.00 18.55 C ATOM 2147 C PRO A 628 -36.306 5.839 -48.660 1.00 18.39 C ATOM 2148 O PRO A 628 -36.241 5.091 -47.695 1.00 25.17 O ATOM 2149 CB PRO A 628 -34.173 6.534 -49.844 1.00 19.76 C ATOM 2150 CG PRO A 628 -33.789 6.594 -51.316 1.00 19.71 C ATOM 2151 CD PRO A 628 -35.138 6.600 -52.043 1.00 18.77 C ATOM 2152 HA PRO A 628 -35.079 4.540 -49.728 1.00 0.00 H ATOM 2153 HD3 PRO A 628 -35.495 7.618 -52.197 1.00 0.00 H ATOM 2154 HD2 PRO A 628 -35.066 6.092 -53.005 1.00 0.00 H ATOM 2155 HG3 PRO A 628 -33.198 5.723 -51.600 1.00 0.00 H ATOM 2156 HG2 PRO A 628 -33.225 7.501 -51.534 1.00 0.00 H ATOM 2157 HB2 PRO A 628 -34.453 7.519 -49.471 1.00 0.00 H ATOM 2158 HB3 PRO A 628 -33.356 6.137 -49.241 1.00 0.00 H ATOM 2159 N LEU A 629 -37.170 6.848 -48.743 1.00 23.72 N ATOM 2160 CA LEU A 629 -38.125 7.105 -47.662 1.00 26.96 C ATOM 2161 C LEU A 629 -39.035 5.897 -47.417 1.00 29.24 C ATOM 2162 O LEU A 629 -39.360 5.568 -46.273 1.00 26.01 O ATOM 2163 CB LEU A 629 -38.967 8.351 -47.962 1.00 24.23 C ATOM 2164 CG LEU A 629 -40.084 8.708 -46.973 1.00 28.49 C ATOM 2165 CD1 LEU A 629 -39.541 9.050 -45.593 1.00 25.09 C ATOM 2166 CD2 LEU A 629 -40.916 9.858 -47.505 1.00 33.61 C ATOM 2167 HA LEU A 629 -37.548 7.283 -46.754 1.00 0.00 H ATOM 2168 HB2 LEU A 629 -38.287 9.202 -48.007 1.00 0.00 H ATOM 2169 HB3 LEU A 629 -39.430 8.205 -48.938 1.00 0.00 H ATOM 2170 HG LEU A 629 -40.715 7.825 -46.868 1.00 0.00 H ATOM 2171 HD21 LEU A 629 -40.278 10.730 -47.650 1.00 0.00 H ATOM 2172 HD22 LEU A 629 -41.363 9.571 -48.457 1.00 0.00 H ATOM 2173 HD23 LEU A 629 -41.703 10.097 -46.790 1.00 0.00 H ATOM 2174 HD11 LEU A 629 -38.997 8.193 -45.196 1.00 0.00 H ATOM 2175 HD12 LEU A 629 -38.869 9.905 -45.670 1.00 0.00 H ATOM 2176 HD13 LEU A 629 -40.369 9.296 -44.929 1.00 0.00 H ATOM 2177 H LEU A 629 -37.167 7.460 -49.584 1.00 0.00 H ATOM 2178 N ASP A 630 -39.428 5.232 -48.499 1.00 26.76 N ATOM 2179 CA ASP A 630 -40.337 4.094 -48.405 1.00 24.67 C ATOM 2180 C ASP A 630 -39.724 2.971 -47.600 1.00 23.25 C ATOM 2181 O ASP A 630 -40.445 2.227 -46.944 1.00 25.02 O ATOM 2182 CB ASP A 630 -40.716 3.567 -49.800 1.00 21.37 C ATOM 2183 CG ASP A 630 -41.678 4.477 -50.537 1.00 26.91 C ATOM 2184 OD1 ASP A 630 -42.595 5.042 -49.892 1.00 27.22 O ATOM 2185 OD2 ASP A 630 -41.535 4.606 -51.777 1.00 27.08 O ATOM 2186 HA ASP A 630 -41.237 4.446 -47.900 1.00 0.00 H ATOM 2187 HB2 ASP A 630 -39.807 3.469 -50.393 1.00 0.00 H ATOM 2188 HB3 ASP A 630 -41.182 2.588 -49.687 1.00 0.00 H ATOM 2189 H ASP A 630 -39.080 5.529 -49.433 1.00 0.00 H ATOM 2190 N LEU A 631 -38.399 2.843 -47.658 1.00 22.90 N ATOM 2191 CA LEU A 631 -37.704 1.741 -46.986 1.00 20.21 C ATOM 2192 C LEU A 631 -37.386 1.996 -45.510 1.00 22.17 C ATOM 2193 O LEU A 631 -36.892 1.101 -44.824 1.00 27.25 O ATOM 2194 CB LEU A 631 -36.415 1.361 -47.733 1.00 21.25 C ATOM 2195 CG LEU A 631 -36.551 1.015 -49.214 1.00 26.55 C ATOM 2196 CD1 LEU A 631 -35.246 0.420 -49.694 1.00 23.01 C ATOM 2197 CD2 LEU A 631 -37.711 0.061 -49.467 1.00 28.84 C ATOM 2198 HA LEU A 631 -38.411 0.912 -47.010 1.00 0.00 H ATOM 2199 HB2 LEU A 631 -35.727 2.203 -47.653 1.00 0.00 H ATOM 2200 HB3 LEU A 631 -35.986 0.494 -47.230 1.00 0.00 H ATOM 2201 HG LEU A 631 -36.769 1.925 -49.772 1.00 0.00 H ATOM 2202 HD21 LEU A 631 -37.547 -0.863 -48.912 1.00 0.00 H ATOM 2203 HD22 LEU A 631 -38.640 0.525 -49.136 1.00 0.00 H ATOM 2204 HD23 LEU A 631 -37.773 -0.159 -50.533 1.00 0.00 H ATOM 2205 HD11 LEU A 631 -34.444 1.145 -49.554 1.00 0.00 H ATOM 2206 HD12 LEU A 631 -35.026 -0.481 -49.121 1.00 0.00 H ATOM 2207 HD13 LEU A 631 -35.330 0.168 -50.751 1.00 0.00 H ATOM 2208 H LEU A 631 -37.845 3.542 -48.193 1.00 0.00 H ATOM 2209 N VAL A 632 -37.645 3.209 -45.024 1.00 23.87 N ATOM 2210 CA VAL A 632 -37.332 3.552 -43.623 1.00 30.80 C ATOM 2211 C VAL A 632 -38.237 2.811 -42.629 1.00 31.92 C ATOM 2212 O VAL A 632 -39.462 2.853 -42.755 1.00 36.01 O ATOM 2213 CB VAL A 632 -37.433 5.082 -43.365 1.00 24.80 C ATOM 2214 CG1 VAL A 632 -37.123 5.412 -41.888 1.00 27.06 C ATOM 2215 CG2 VAL A 632 -36.489 5.841 -44.281 1.00 28.98 C ATOM 2216 HA VAL A 632 -36.302 3.233 -43.462 1.00 0.00 H ATOM 2217 HB VAL A 632 -38.455 5.394 -43.580 1.00 0.00 H ATOM 2218 HG11 VAL A 632 -37.838 4.899 -41.245 1.00 0.00 H ATOM 2219 HG12 VAL A 632 -36.113 5.081 -41.647 1.00 0.00 H ATOM 2220 HG13 VAL A 632 -37.200 6.488 -41.734 1.00 0.00 H ATOM 2221 HG21 VAL A 632 -35.465 5.517 -44.094 1.00 0.00 H ATOM 2222 HG22 VAL A 632 -36.752 5.639 -45.319 1.00 0.00 H ATOM 2223 HG23 VAL A 632 -36.575 6.910 -44.084 1.00 0.00 H ATOM 2224 H VAL A 632 -38.075 3.926 -45.642 1.00 0.00 H ATOM 2225 N LYS A 633 -37.639 2.138 -41.645 1.00 35.99 N ATOM 2226 CA LYS A 633 -38.419 1.478 -40.590 1.00 43.08 C ATOM 2227 C LYS A 633 -39.194 2.482 -39.729 1.00 51.38 C ATOM 2228 O LYS A 633 -38.708 3.571 -39.434 1.00 55.12 O ATOM 2229 CB LYS A 633 -37.540 0.577 -39.715 1.00 38.29 C ATOM 2230 CG LYS A 633 -36.276 1.224 -39.181 1.00 38.56 C ATOM 2231 CD LYS A 633 -35.323 0.160 -38.641 1.00 39.21 C ATOM 2232 CE LYS A 633 -33.871 0.613 -38.673 1.00 38.96 C ATOM 2233 NZ LYS A 633 -33.607 1.681 -37.676 1.00 41.01 N ATOM 2234 HA LYS A 633 -39.150 0.847 -41.096 1.00 0.00 H ATOM 2235 HB2 LYS A 633 -38.136 0.249 -38.863 1.00 0.00 H ATOM 2236 HB3 LYS A 633 -37.250 -0.290 -40.309 1.00 0.00 H ATOM 2237 HG2 LYS A 633 -35.785 1.772 -39.985 1.00 0.00 H ATOM 2238 HG3 LYS A 633 -36.536 1.914 -38.379 1.00 0.00 H ATOM 2239 HD2 LYS A 633 -35.597 -0.066 -37.610 1.00 0.00 H ATOM 2240 HD3 LYS A 633 -35.423 -0.740 -39.247 1.00 0.00 H ATOM 2241 HE2 LYS A 633 -33.641 0.994 -39.668 1.00 0.00 H ATOM 2242 HE3 LYS A 633 -33.229 -0.241 -38.455 1.00 0.00 H ATOM 2243 HZ1 LYS A 633 -34.211 2.502 -37.881 1.00 0.00 H ATOM 2244 HZ2 LYS A 633 -33.818 1.323 -36.723 1.00 0.00 H ATOM 2245 HZ3 LYS A 633 -32.607 1.963 -37.728 1.00 0.00 H ATOM 2246 H LYS A 633 -36.601 2.079 -41.624 1.00 0.00 H ATOM 2247 N ASP A 634 -40.401 2.105 -39.322 1.00 56.47 N ATOM 2248 CA ASP A 634 -41.304 3.036 -38.639 1.00 58.02 C ATOM 2249 C ASP A 634 -40.686 3.794 -37.457 1.00 59.13 C ATOM 2250 O ASP A 634 -40.954 4.983 -37.261 1.00 63.36 O ATOM 2251 CB ASP A 634 -42.584 2.325 -38.214 1.00 63.08 C ATOM 2252 CG ASP A 634 -43.795 2.814 -38.976 1.00 68.47 C ATOM 2253 OD1 ASP A 634 -43.620 3.330 -40.103 1.00 66.46 O ATOM 2254 OD2 ASP A 634 -44.918 2.681 -38.441 1.00 73.05 O ATOM 2255 HA ASP A 634 -41.531 3.805 -39.377 1.00 0.00 H ATOM 2256 HB2 ASP A 634 -42.466 1.256 -38.392 1.00 0.00 H ATOM 2257 HB3 ASP A 634 -42.745 2.500 -37.150 1.00 0.00 H ATOM 2258 H ASP A 634 -40.712 1.127 -39.492 1.00 0.00 H ATOM 2259 N GLY A 635 -39.860 3.113 -36.672 1.00 55.18 N ATOM 2260 CA GLY A 635 -39.260 3.739 -35.509 1.00 53.74 C ATOM 2261 C GLY A 635 -38.403 4.943 -35.856 1.00 52.33 C ATOM 2262 O GLY A 635 -38.241 5.853 -35.041 1.00 47.30 O ATOM 2263 HA3 GLY A 635 -38.636 3.003 -35.002 1.00 0.00 H ATOM 2264 HA2 GLY A 635 -40.057 4.062 -34.839 1.00 0.00 H ATOM 2265 H GLY A 635 -39.641 2.121 -36.893 1.00 0.00 H ATOM 2266 N ASP A 636 -37.851 4.948 -37.068 1.00 50.79 N ATOM 2267 CA ASP A 636 -36.917 5.995 -37.483 1.00 48.93 C ATOM 2268 C ASP A 636 -37.618 7.241 -38.028 1.00 45.48 C ATOM 2269 O ASP A 636 -37.446 7.603 -39.194 1.00 40.18 O ATOM 2270 CB ASP A 636 -35.916 5.455 -38.514 1.00 46.80 C ATOM 2271 CG ASP A 636 -34.848 4.565 -37.887 1.00 53.52 C ATOM 2272 OD1 ASP A 636 -34.431 4.850 -36.739 1.00 56.27 O ATOM 2273 OD2 ASP A 636 -34.429 3.581 -38.544 1.00 50.84 O ATOM 2274 HA ASP A 636 -36.380 6.300 -36.585 1.00 0.00 H ATOM 2275 HB2 ASP A 636 -36.461 4.875 -39.259 1.00 0.00 H ATOM 2276 HB3 ASP A 636 -35.426 6.299 -39.000 1.00 0.00 H ATOM 2277 H ASP A 636 -38.090 4.188 -37.737 1.00 0.00 H ATOM 2278 N THR A 637 -38.397 7.904 -37.177 1.00 40.85 N ATOM 2279 CA THR A 637 -39.119 9.104 -37.590 1.00 38.92 C ATOM 2280 C THR A 637 -38.164 10.247 -37.907 1.00 37.91 C ATOM 2281 O THR A 637 -38.495 11.135 -38.692 1.00 42.64 O ATOM 2282 CB THR A 637 -40.154 9.564 -36.535 1.00 45.33 C ATOM 2283 OG1 THR A 637 -39.482 9.992 -35.343 1.00 50.82 O ATOM 2284 CG2 THR A 637 -41.114 8.435 -36.207 1.00 47.30 C ATOM 2285 HA THR A 637 -39.662 8.833 -38.496 1.00 0.00 H ATOM 2286 HB THR A 637 -40.722 10.399 -36.946 1.00 0.00 H ATOM 2287 HG1 THR A 637 -40.152 10.284 -34.675 1.00 0.00 H ATOM 2288 HG23 THR A 637 -41.621 8.115 -37.117 1.00 0.00 H ATOM 2289 HG21 THR A 637 -40.558 7.598 -35.786 1.00 0.00 H ATOM 2290 HG22 THR A 637 -41.850 8.785 -35.483 1.00 0.00 H ATOM 2291 H THR A 637 -38.493 7.561 -36.200 1.00 0.00 H ATOM 2292 N ASP A 638 -36.974 10.227 -37.312 1.00 37.92 N ATOM 2293 CA ASP A 638 -35.992 11.254 -37.634 1.00 39.96 C ATOM 2294 C ASP A 638 -35.475 11.073 -39.061 1.00 35.77 C ATOM 2295 O ASP A 638 -35.337 12.044 -39.805 1.00 45.04 O ATOM 2296 CB ASP A 638 -34.850 11.315 -36.601 1.00 45.38 C ATOM 2297 CG ASP A 638 -34.032 10.040 -36.541 1.00 47.22 C ATOM 2298 OD1 ASP A 638 -34.573 8.957 -36.861 1.00 45.66 O ATOM 2299 OD2 ASP A 638 -32.837 10.128 -36.164 1.00 51.44 O ATOM 2300 HA ASP A 638 -36.492 12.221 -37.582 1.00 0.00 H ATOM 2301 HB2 ASP A 638 -34.188 12.140 -36.864 1.00 0.00 H ATOM 2302 HB3 ASP A 638 -35.282 11.497 -35.617 1.00 0.00 H ATOM 2303 H ASP A 638 -36.746 9.483 -36.622 1.00 0.00 H ATOM 2304 N ILE A 639 -35.217 9.832 -39.456 1.00 39.05 N ATOM 2305 CA ILE A 639 -34.815 9.571 -40.832 1.00 33.38 C ATOM 2306 C ILE A 639 -35.984 9.886 -41.768 1.00 30.58 C ATOM 2307 O ILE A 639 -35.799 10.472 -42.836 1.00 27.91 O ATOM 2308 CB ILE A 639 -34.352 8.117 -41.032 1.00 32.56 C ATOM 2309 CG1 ILE A 639 -33.256 7.770 -40.022 1.00 33.74 C ATOM 2310 CG2 ILE A 639 -33.883 7.911 -42.465 1.00 33.96 C ATOM 2311 CD1 ILE A 639 -32.595 6.423 -40.253 1.00 32.34 C ATOM 2312 HA ILE A 639 -33.966 10.214 -41.065 1.00 0.00 H ATOM 2313 HB ILE A 639 -35.190 7.442 -40.856 1.00 0.00 H ATOM 2314 HG12 ILE A 639 -32.487 8.541 -40.074 1.00 0.00 H ATOM 2315 HG13 ILE A 639 -33.698 7.767 -39.026 1.00 0.00 H ATOM 2316 HD11 ILE A 639 -33.346 5.636 -40.191 1.00 0.00 H ATOM 2317 HD12 ILE A 639 -32.134 6.411 -41.241 1.00 0.00 H ATOM 2318 HD13 ILE A 639 -31.832 6.259 -39.492 1.00 0.00 H ATOM 2319 HG21 ILE A 639 -34.705 8.123 -43.149 1.00 0.00 H ATOM 2320 HG22 ILE A 639 -33.052 8.584 -42.674 1.00 0.00 H ATOM 2321 HG23 ILE A 639 -33.558 6.879 -42.595 1.00 0.00 H ATOM 2322 H ILE A 639 -35.302 9.045 -38.782 1.00 0.00 H ATOM 2323 N GLN A 640 -37.190 9.509 -41.357 1.00 32.57 N ATOM 2324 CA GLN A 640 -38.382 9.848 -42.133 1.00 32.63 C ATOM 2325 C GLN A 640 -38.471 11.361 -42.313 1.00 32.23 C ATOM 2326 O GLN A 640 -38.687 11.843 -43.419 1.00 32.71 O ATOM 2327 CB GLN A 640 -39.650 9.324 -41.461 1.00 34.15 C ATOM 2328 CG GLN A 640 -39.756 7.817 -41.422 1.00 34.24 C ATOM 2329 CD GLN A 640 -41.104 7.350 -40.914 1.00 42.81 C ATOM 2330 OE1 GLN A 640 -41.651 7.915 -39.970 1.00 46.97 O ATOM 2331 NE2 GLN A 640 -41.654 6.320 -41.550 1.00 45.85 N ATOM 2332 HA GLN A 640 -38.298 9.371 -43.110 1.00 0.00 H ATOM 2333 HB2 GLN A 640 -39.672 9.695 -40.436 1.00 0.00 H ATOM 2334 HB3 GLN A 640 -40.511 9.713 -42.005 1.00 0.00 H ATOM 2335 HG2 GLN A 640 -39.607 7.428 -42.429 1.00 0.00 H ATOM 2336 HG3 GLN A 640 -38.979 7.427 -40.765 1.00 0.00 H ATOM 2337 HE22 GLN A 640 -41.154 5.872 -42.345 1.00 0.00 H ATOM 2338 HE21 GLN A 640 -42.584 5.962 -41.253 1.00 0.00 H ATOM 2339 H GLN A 640 -37.287 8.967 -40.475 1.00 0.00 H ATOM 2340 N ASP A 641 -38.301 12.105 -41.225 1.00 37.54 N ATOM 2341 CA ASP A 641 -38.373 13.566 -41.292 1.00 46.87 C ATOM 2342 C ASP A 641 -37.322 14.147 -42.243 1.00 49.01 C ATOM 2343 O ASP A 641 -37.609 15.066 -43.016 1.00 52.34 O ATOM 2344 CB ASP A 641 -38.250 14.189 -39.896 1.00 51.50 C ATOM 2345 CG ASP A 641 -39.498 13.980 -39.053 1.00 53.70 C ATOM 2346 OD1 ASP A 641 -40.583 13.803 -39.647 1.00 56.12 O ATOM 2347 OD2 ASP A 641 -39.401 13.985 -37.804 1.00 53.35 O ATOM 2348 HA ASP A 641 -39.353 13.821 -41.695 1.00 0.00 H ATOM 2349 HB2 ASP A 641 -37.402 13.735 -39.384 1.00 0.00 H ATOM 2350 HB3 ASP A 641 -38.077 15.260 -40.005 1.00 0.00 H ATOM 2351 H ASP A 641 -38.114 11.643 -40.312 1.00 0.00 H ATOM 2352 N LEU A 642 -36.115 13.590 -42.197 1.00 44.53 N ATOM 2353 CA LEU A 642 -35.001 14.070 -43.010 1.00 35.39 C ATOM 2354 C LEU A 642 -35.271 13.898 -44.493 1.00 38.47 C ATOM 2355 O LEU A 642 -35.118 14.833 -45.283 1.00 41.80 O ATOM 2356 CB LEU A 642 -33.709 13.330 -42.631 1.00 41.95 C ATOM 2357 CG LEU A 642 -32.460 13.594 -43.482 1.00 41.34 C ATOM 2358 CD1 LEU A 642 -31.962 15.015 -43.254 1.00 42.73 C ATOM 2359 CD2 LEU A 642 -31.347 12.586 -43.206 1.00 42.10 C ATOM 2360 HA LEU A 642 -34.886 15.135 -42.809 1.00 0.00 H ATOM 2361 HB2 LEU A 642 -33.467 13.602 -41.604 1.00 0.00 H ATOM 2362 HB3 LEU A 642 -33.918 12.262 -42.682 1.00 0.00 H ATOM 2363 HG LEU A 642 -32.746 13.475 -44.527 1.00 0.00 H ATOM 2364 HD21 LEU A 642 -31.059 12.643 -42.156 1.00 0.00 H ATOM 2365 HD22 LEU A 642 -31.704 11.581 -43.432 1.00 0.00 H ATOM 2366 HD23 LEU A 642 -30.486 12.817 -43.833 1.00 0.00 H ATOM 2367 HD11 LEU A 642 -32.743 15.722 -43.535 1.00 0.00 H ATOM 2368 HD12 LEU A 642 -31.713 15.147 -42.201 1.00 0.00 H ATOM 2369 HD13 LEU A 642 -31.075 15.190 -43.863 1.00 0.00 H ATOM 2370 H LEU A 642 -35.959 12.784 -41.559 1.00 0.00 H ATOM 2371 N LEU A 643 -35.647 12.682 -44.871 1.00 32.02 N ATOM 2372 CA LEU A 643 -35.946 12.371 -46.256 1.00 37.31 C ATOM 2373 C LEU A 643 -37.243 13.033 -46.689 1.00 44.79 C ATOM 2374 O LEU A 643 -37.518 13.144 -47.882 1.00 47.29 O ATOM 2375 CB LEU A 643 -36.033 10.859 -46.442 1.00 28.84 C ATOM 2376 CG LEU A 643 -34.702 10.170 -46.155 1.00 27.42 C ATOM 2377 CD1 LEU A 643 -34.829 8.666 -46.284 1.00 26.74 C ATOM 2378 CD2 LEU A 643 -33.652 10.693 -47.110 1.00 31.68 C ATOM 2379 HA LEU A 643 -35.142 12.760 -46.881 1.00 0.00 H ATOM 2380 HB2 LEU A 643 -36.788 10.463 -45.763 1.00 0.00 H ATOM 2381 HB3 LEU A 643 -36.325 10.647 -47.471 1.00 0.00 H ATOM 2382 HG LEU A 643 -34.405 10.392 -45.130 1.00 0.00 H ATOM 2383 HD21 LEU A 643 -33.958 10.484 -48.135 1.00 0.00 H ATOM 2384 HD22 LEU A 643 -33.543 11.769 -46.975 1.00 0.00 H ATOM 2385 HD23 LEU A 643 -32.701 10.202 -46.906 1.00 0.00 H ATOM 2386 HD11 LEU A 643 -35.571 8.303 -45.573 1.00 0.00 H ATOM 2387 HD12 LEU A 643 -35.142 8.415 -47.298 1.00 0.00 H ATOM 2388 HD13 LEU A 643 -33.865 8.202 -46.074 1.00 0.00 H ATOM 2389 H LEU A 643 -35.729 11.932 -44.155 1.00 0.00 H ATOM 2390 N ARG A 644 -38.025 13.468 -45.703 1.00 45.20 N ATOM 2391 CA ARG A 644 -39.336 14.074 -45.930 1.00 52.91 C ATOM 2392 C ARG A 644 -39.278 15.588 -45.772 1.00 57.74 C ATOM 2393 O ARG A 644 -38.802 16.295 -46.658 1.00 62.59 O ATOM 2394 CB ARG A 644 -40.359 13.484 -44.955 1.00 52.87 C ATOM 2395 CG ARG A 644 -41.731 14.125 -44.990 1.00 60.60 C ATOM 2396 CD ARG A 644 -42.710 13.306 -44.169 1.00 63.28 C ATOM 2397 NE ARG A 644 -42.789 11.933 -44.659 1.00 65.57 N ATOM 2398 CZ ARG A 644 -43.343 10.929 -43.989 1.00 65.91 C ATOM 2399 NH1 ARG A 644 -43.369 9.710 -44.516 1.00 63.77 N ATOM 2400 NH2 ARG A 644 -43.867 11.142 -42.789 1.00 65.14 N ATOM 2401 HA ARG A 644 -39.641 13.852 -46.953 1.00 0.00 H ATOM 2402 HB2 ARG A 644 -40.475 12.426 -45.188 1.00 0.00 H ATOM 2403 HB3 ARG A 644 -39.963 13.591 -43.945 1.00 0.00 H ATOM 2404 HG2 ARG A 644 -41.669 15.132 -44.579 1.00 0.00 H ATOM 2405 HG3 ARG A 644 -42.079 14.176 -46.022 1.00 0.00 H ATOM 2406 HD2 ARG A 644 -43.697 13.764 -44.231 1.00 0.00 H ATOM 2407 HD3 ARG A 644 -42.381 13.295 -43.130 1.00 0.00 H ATOM 2408 HE ARG A 644 -42.385 11.728 -45.595 1.00 0.00 H ATOM 2409 HH12 ARG A 644 -43.803 8.925 -43.990 1.00 0.00 H ATOM 2410 HH11 ARG A 644 -42.955 9.540 -45.455 1.00 0.00 H ATOM 2411 HH22 ARG A 644 -44.301 10.356 -42.264 1.00 0.00 H ATOM 2412 HH21 ARG A 644 -43.844 12.095 -42.373 1.00 0.00 H ATOM 2413 H ARG A 644 -37.687 13.372 -44.724 1.00 0.00 H TER 2414 ARG A 644 HETATM 2415 O HOH 1 2.577 -4.184 -53.694 1.00 26.26 O HETATM 2416 O HOH 2 0.042 -0.298 -55.044 1.00 22.85 O HETATM 2417 O HOH 3 -19.822 -6.535 -51.829 1.00 13.62 O HETATM 2418 O HOH 4 -17.476 -0.965 -37.863 1.00 16.98 O HETATM 2419 O HOH 5 -16.218 4.424 -41.257 1.00 16.05 O HETATM 2420 O HOH 6 -11.622 5.551 -58.171 1.00 19.74 O HETATM 2421 O HOH 7 -14.667 2.646 -63.677 1.00 21.71 O HETATM 2422 O HOH 8 -19.486 2.011 -38.392 1.00 18.64 O HETATM 2423 O HOH 9 -3.480 4.226 -45.200 1.00 25.48 O HETATM 2424 O HOH 10 -27.851 7.669 -52.853 1.00 25.18 O HETATM 2425 O HOH 11 -18.372 3.893 -54.405 1.00 15.68 O HETATM 2426 O HOH 12 -18.035 12.430 -54.978 1.00 22.51 O HETATM 2427 O HOH 13 -28.634 -4.634 -48.156 1.00 40.48 O HETATM 2428 O HOH 14 -30.475 8.376 -54.096 1.00 28.54 O HETATM 2429 O HOH 15 -20.398 5.601 -55.569 1.00 27.22 O HETATM 2430 O HOH 16 -43.773 4.489 -47.456 1.00 28.80 O HETATM 2431 O HOH 17 -3.981 -12.106 -46.479 1.00 25.04 O HETATM 2432 O HOH 18 1.706 -1.292 -59.953 1.00 28.58 O HETATM 2433 O HOH 19 -17.274 -11.245 -52.712 1.00 19.46 O HETATM 2434 O HOH 20 -15.465 -5.175 -39.519 1.00 18.88 O HETATM 2435 O HOH 21 -18.300 -0.102 -63.152 1.00 22.25 O HETATM 2436 O HOH 22 -22.758 14.515 -40.655 1.00 34.15 O HETATM 2437 O HOH 23 -37.932 -2.303 -52.513 1.00 28.16 O HETATM 2438 O HOH 24 -1.398 0.451 -57.284 1.00 25.38 O HETATM 2439 O HOH 25 -12.818 -0.990 -56.161 1.00 21.34 O HETATM 2440 O HOH 26 -11.099 -9.996 -61.731 1.00 30.96 O HETATM 2441 O HOH 27 -19.429 5.442 -57.815 1.00 27.88 O HETATM 2442 O HOH 28 -14.261 6.363 -38.067 1.00 25.66 O HETATM 2443 O HOH 29 -4.347 -10.786 -44.086 1.00 30.61 O HETATM 2444 O HOH 30 -11.367 -11.432 -41.850 1.00 29.86 O HETATM 2445 O HOH 31 -19.778 -9.062 -63.260 1.00 32.75 O HETATM 2446 O HOH 32 -34.858 2.483 -41.210 1.00 31.00 O HETATM 2447 O HOH 33 -6.901 -8.248 -61.236 1.00 28.85 O HETATM 2448 O HOH 34 -7.077 -4.160 -61.103 1.00 19.75 O HETATM 2449 O HOH 35 -5.672 -10.223 -60.939 1.00 31.21 O HETATM 2450 O HOH 36 -31.775 4.363 -36.462 1.00 32.40 O HETATM 2451 O HOH 37 -2.883 -9.742 -55.427 1.00 24.77 O HETATM 2452 O HOH 38 -0.989 -4.441 -41.013 1.00 34.23 O HETATM 2453 O HOH 39 3.644 -8.749 -54.944 1.00 57.92 O HETATM 2454 O HOH 40 -21.001 -6.367 -62.263 1.00 36.50 O HETATM 2455 O HOH 41 -12.403 5.321 -61.305 1.00 47.40 O HETATM 2456 O HOH 42 -16.896 9.927 -60.238 1.00 30.82 O HETATM 2457 O HOH 43 -41.196 4.853 -44.258 1.00 39.25 O HETATM 2458 O HOH 44 -17.976 -10.996 -46.667 1.00 31.65 O HETATM 2459 O HOH 45 -16.720 -13.857 -47.029 1.00 42.21 O HETATM 2460 O HOH 46 -11.395 -5.486 -36.077 1.00 36.43 O HETATM 2461 O HOH 47 -12.396 12.048 -43.805 1.00 49.46 O HETATM 2462 O HOH 48 -9.312 3.741 -61.009 1.00 60.37 O HETATM 2463 O HOH 49 -5.242 6.332 -57.140 1.00 32.88 O HETATM 2464 O HOH 50 -13.213 -5.001 -61.121 1.00 34.86 O HETATM 2465 O HOH 51 -37.136 -3.579 -50.375 1.00 39.21 O HETATM 2466 O HOH 52 -7.172 -14.000 -59.420 1.00 33.51 O HETATM 2467 O HOH 53 -8.346 5.659 -56.850 1.00 28.59 O HETATM 2468 O HOH 54 -2.430 4.278 -59.638 1.00 49.93 O HETATM 2469 O HOH 55 -7.467 -13.171 -42.857 1.00 36.56 O HETATM 2470 O HOH 56 -37.244 7.684 -59.930 1.00 47.17 O HETATM 2471 O HOH 57 -43.295 7.583 -50.066 1.00 53.10 O HETATM 2472 O HOH 58 -41.197 8.664 -51.216 1.00 40.41 O HETATM 2473 O HOH 59 -35.745 -6.262 -54.498 1.00 48.39 O HETATM 2474 O HOH 60 -9.793 2.487 -63.128 1.00 48.82 O HETATM 2475 O HOH 61 -25.538 4.004 -61.815 1.00 50.82 O HETATM 2476 O HOH 62 -2.192 5.195 -47.212 1.00 37.35 O HETATM 2477 O HOH 63 -20.925 14.367 -36.960 1.00 42.21 O HETATM 2478 O HOH 64 -0.546 2.265 -58.772 1.00 39.52 O HETATM 2479 O HOH 65 -44.181 3.896 -57.026 1.00 41.05 O HETATM 2480 O HOH 66 -41.987 1.151 -60.548 1.00 46.59 O HETATM 2481 O HOH 67 -10.822 -17.810 -55.160 1.00 45.23 O HETATM 2482 O HOH 68 -30.155 -3.717 -64.084 1.00 38.20 O HETATM 2483 O HOH 69 -33.008 4.404 -58.206 1.00 35.87 O HETATM 2484 O HOH 70 -25.965 -1.769 -61.978 1.00 38.28 O HETATM 2485 O HOH 71 -12.225 -14.471 -44.374 1.00 45.97 O HETATM 2486 O HOH 72 -27.303 -0.052 -35.332 1.00 47.23 O HETATM 2487 O HOH 73 -10.431 -2.287 -55.065 1.00 13.00 O HETATM 2488 O HOH 74 -9.839 -11.784 -43.952 1.00 31.66 O HETATM 2489 O HOH 75 -17.421 -3.238 -39.269 1.00 15.66 O HETATM 2490 O HOH 76 -14.173 -7.048 -37.758 1.00 23.99 O HETATM 2491 O HOH 77 -23.023 -8.345 -42.323 1.00 31.48 O HETATM 2492 O HOH 78 -21.541 -6.520 -36.991 1.00 28.93 O HETATM 2493 O HOH 79 -20.850 -10.005 -45.349 1.00 33.76 O HETATM 2494 O HOH 80 -14.425 -9.398 -39.318 1.00 45.83 O HETATM 2495 O HOH 81 -20.340 -6.724 -30.875 1.00 36.83 O HETATM 2496 O HOH 82 -23.943 -10.732 -49.086 1.00 43.45 O HETATM 2497 O HOH 83 -21.953 -11.345 -47.959 1.00 47.14 O HETATM 2498 O HOH 84 -4.979 -4.911 -71.070 1.00 13.54 O HETATM 2499 O HOH 85 -14.123 -0.589 -70.710 1.00 13.82 O HETATM 2500 O HOH 86 -17.155 2.061 -64.672 1.00 24.55 O HETATM 2501 O HOH 87 4.088 -4.215 -69.355 1.00 36.75 O HETATM 2502 O HOH 88 -19.427 11.025 -66.463 1.00 33.97 O HETATM 2503 O HOH 89 -12.071 -2.068 -69.308 1.00 19.62 O HETATM 2504 O HOH 90 -6.628 1.886 -67.444 1.00 24.98 O HETATM 2505 O HOH 91 2.437 -0.381 -70.487 1.00 26.48 O HETATM 2506 O HOH 92 1.878 -17.482 -66.617 1.00 31.19 O HETATM 2507 O HOH 93 -25.808 -2.947 -66.001 1.00 28.50 O HETATM 2508 O HOH 94 -7.964 4.751 -69.272 1.00 26.38 O HETATM 2509 O HOH 95 2.700 -11.704 -72.293 1.00 29.31 O HETATM 2510 O HOH 96 -10.904 -7.033 -62.770 1.00 38.28 O HETATM 2511 O HOH 97 -8.319 -6.136 -62.325 1.00 25.41 O HETATM 2512 O HOH 98 -24.299 2.522 -70.192 1.00 32.27 O HETATM 2513 O HOH 99 -24.902 5.093 -69.816 1.00 32.00 O HETATM 2514 O HOH 100 -14.488 5.157 -63.874 1.00 35.12 O HETATM 2515 O HOH 101 -12.121 -18.288 -70.766 1.00 31.59 O HETATM 2516 O HOH 102 4.403 -13.603 -71.052 1.00 28.47 O HETATM 2517 O HOH 103 -5.816 -25.420 -70.552 1.00 42.24 O HETATM 2518 O HOH 104 -17.616 -2.696 -62.550 1.00 32.17 O HETATM 2519 O HOH 105 -24.346 2.360 -65.674 1.00 47.47 O HETATM 2520 O HOH 106 -14.177 -18.415 -68.977 1.00 44.44 O HETATM 2521 O HOH 107 -3.835 -15.822 -62.667 1.00 39.48 O HETATM 2522 O HOH 108 -15.860 -11.476 -61.972 1.00 34.43 O HETATM 2523 O HOH 109 -20.881 0.039 -64.233 1.00 36.10 O HETATM 2524 O HOH 110 -7.805 -1.700 -62.148 1.00 22.08 O HETATM 2525 O HOH 111 -5.867 -0.544 -62.123 1.00 31.84 O HETATM 2526 O HOH 112 -15.415 -4.035 -64.463 1.00 40.54 O HETATM 2527 O HOH 113 -16.830 10.295 -69.802 1.00 58.01 O HETATM 2528 O HOH 114 -13.017 -11.758 -62.983 1.00 40.64 O HETATM 2529 O HOH 115 -5.032 -7.030 -64.231 1.00 20.82 O HETATM 2530 O HOH 116 -21.882 -3.417 -64.617 1.00 46.83 O HETATM 2531 O HOH 117 5.271 -5.636 -67.439 1.00 51.75 O HETATM 2532 O HOH 118 -9.227 -17.267 -69.933 1.00 38.26 O HETATM 2533 O HOH 119 -1.863 -11.084 -63.420 1.00 42.96 O HETATM 2534 O HOH 120 -0.394 -26.240 -62.653 1.00 42.10 O HETATM 2535 O HOH 121 5.781 -18.638 -64.532 1.00 50.05 O HETATM 2536 O HOH 122 -6.595 -13.977 -63.304 1.00 33.28 O HETATM 2537 O HOH 123 -18.970 -10.896 -72.468 1.00 19.50 O HETATM 2538 N GLN A 124 -32.446 -13.552 -55.626 1.00 0.24 N HETATM 2539 CA GLN A 124 -32.809 -12.256 -55.061 1.00 0.07 C HETATM 2540 C GLN A 124 -31.589 -11.374 -54.772 1.00 0.23 C HETATM 2541 O GLN A 124 -30.441 -11.757 -55.006 1.00 -0.39 O HETATM 2542 N GLN A 124 -31.863 -10.187 -54.247 1.00 -0.26 N HETATM 2543 CA GLN A 124 -30.831 -9.218 -53.910 1.00 0.13 C HETATM 2544 C GLN A 124 -30.219 -9.553 -52.553 1.00 0.20 C HETATM 2545 O GLN A 124 -30.920 -9.612 -51.547 1.00 -0.39 O HETATM 2546 N GLN A 124 -28.912 -9.776 -52.514 1.00 -0.26 N HETATM 2547 CA GLN A 124 -28.269 -10.135 -51.260 1.00 0.13 C HETATM 2548 C GLN A 124 -27.478 -8.961 -50.695 1.00 0.20 C HETATM 2549 O GLN A 124 -27.157 -8.024 -51.415 1.00 -0.39 O HETATM 2550 N GLN A 124 -27.168 -9.014 -49.406 1.00 -0.26 N HETATM 2551 CA GLN A 124 -26.471 -7.905 -48.739 1.00 0.15 C HETATM 2552 C GLN A 124 -25.030 -7.726 -49.218 1.00 0.21 C HETATM 2553 O GLN A 124 -24.384 -8.676 -49.636 1.00 -0.39 O HETATM 2554 N GLN A 124 -24.508 -6.494 -49.139 1.00 -0.25 N HETATM 2555 CA GLN A 124 -23.122 -6.276 -49.563 1.00 0.13 C HETATM 2556 C GLN A 124 -22.161 -7.037 -48.640 1.00 0.20 C HETATM 2557 O GLN A 124 -22.536 -7.367 -47.504 1.00 -0.39 O HETATM 2558 N GLN A 124 -20.944 -7.306 -49.103 1.00 -0.26 N HETATM 2559 CA GLN A 124 -19.903 -7.795 -48.193 1.00 0.14 C HETATM 2560 C GLN A 124 -19.595 -6.741 -47.130 1.00 0.21 C HETATM 2561 O GLN A 124 -19.345 -5.577 -47.446 1.00 -0.39 O HETATM 2562 N GLN A 124 -19.623 -7.145 -45.863 1.00 -0.27 N HETATM 2563 CA GLN A 124 -19.308 -6.229 -44.781 1.00 0.12 C HETATM 2564 C GLN A 124 -20.079 -6.563 -43.518 1.00 0.20 C HETATM 2565 O GLN A 124 -20.777 -7.584 -43.459 1.00 -0.39 O HETATM 2566 N GLN A 124 -19.921 -5.727 -42.500 1.00 -0.26 N HETATM 2567 CA GLN A 124 -20.705 -5.846 -41.279 1.00 0.13 C HETATM 2568 C GLN A 124 -20.687 -4.529 -40.510 1.00 0.20 C HETATM 2569 O GLN A 124 -19.795 -3.699 -40.699 1.00 -0.39 O HETATM 2570 N GLN A 124 -21.681 -4.341 -39.651 1.00 -0.26 N HETATM 2571 CA GLN A 124 -21.883 -3.048 -39.022 1.00 0.15 C HETATM 2572 C GLN A 124 -20.840 -2.750 -37.958 1.00 0.21 C HETATM 2573 O GLN A 124 -20.418 -1.602 -37.799 1.00 -0.39 O HETATM 2574 N GLN A 124 -20.458 -3.771 -37.202 1.00 -0.26 N HETATM 2575 CA GLN A 124 -19.556 -3.558 -36.078 1.00 0.14 C HETATM 2576 C GLN A 124 -18.297 -4.377 -36.236 1.00 0.21 C HETATM 2577 O GLN A 124 -18.351 -5.556 -36.593 1.00 -0.39 O HETATM 2578 N GLN A 124 -17.167 -3.743 -35.964 1.00 -0.26 N HETATM 2579 CA GLN A 124 -15.883 -4.407 -36.051 1.00 0.13 C HETATM 2580 C GLN A 124 -15.806 -5.524 -35.012 1.00 0.20 C HETATM 2581 O GLN A 124 -15.212 -6.570 -35.266 1.00 -0.39 O HETATM 2582 N GLN A 124 -16.436 -5.324 -33.856 1.00 -0.26 N HETATM 2583 CA GLN A 124 -16.380 -6.351 -32.794 1.00 0.15 C HETATM 2584 CB GLN A 124 -16.712 -5.767 -31.420 1.00 0.08 C HETATM 2585 OG GLN A 124 -18.038 -5.247 -31.444 1.00 -0.39 O HETATM 2586 H GLN A 124 -18.654 -5.953 -31.653 1.00 0.21 H HETATM 2587 H GLN A 124 -16.009 -4.969 -31.181 1.00 0.06 H HETATM 2588 H GLN A 124 -16.637 -6.546 -30.662 1.00 0.06 H HETATM 2589 C GLN A 124 -17.364 -7.496 -33.135 1.00 0.20 C HETATM 2590 NT GLN A 124 -17.224 -8.556 -32.361 1.00 -0.30 N HETATM 2591 H GLN A 124 -17.828 -9.367 -32.493 1.00 0.18 H HETATM 2592 H GLN A 124 -16.512 -8.564 -31.630 1.00 0.18 H HETATM 2593 O GLN A 124 -18.202 -7.412 -34.040 1.00 -0.39 O HETATM 2594 H GLN A 124 -15.361 -6.736 -32.748 1.00 0.08 H HETATM 2595 H GLN A 124 -16.958 -4.461 -33.703 1.00 0.19 H HETATM 2596 CB GLN A 124 -14.734 -3.410 -35.896 1.00 -0.01 C HETATM 2597 CG GLN A 124 -14.532 -2.533 -37.131 1.00 -0.02 C HETATM 2598 CD GLN A 124 -14.520 -1.027 -36.762 1.00 0.06 C HETATM 2599 NE GLN A 124 -13.223 -0.620 -36.269 1.00 -0.27 N HETATM 2600 CZ GLN A 124 -12.979 0.488 -35.571 1.00 0.29 C HETATM 2601 NH1 GLN A 124 -11.748 0.749 -35.173 1.00 -0.28 N HETATM 2602 H GLN A 124 -10.991 0.104 -35.400 1.00 0.26 H HETATM 2603 H GLN A 124 -11.554 1.595 -34.638 1.00 0.26 H HETATM 2604 NH2 GLN A 124 -13.956 1.335 -35.274 1.00 -0.28 N HETATM 2605 H GLN A 124 -14.909 1.142 -35.581 1.00 0.26 H HETATM 2606 H GLN A 124 -13.754 2.179 -34.739 1.00 0.26 H HETATM 2607 H GLN A 124 -12.431 -1.230 -36.472 1.00 0.26 H HETATM 2608 H GLN A 124 -15.259 -0.854 -35.980 1.00 0.07 H HETATM 2609 H GLN A 124 -14.750 -0.448 -37.656 1.00 0.07 H HETATM 2610 H GLN A 124 -15.356 -2.713 -37.821 1.00 0.03 H HETATM 2611 H GLN A 124 -13.572 -2.786 -37.581 1.00 0.03 H HETATM 2612 H GLN A 124 -13.818 -3.981 -35.741 1.00 0.03 H HETATM 2613 H GLN A 124 -14.975 -2.754 -35.059 1.00 0.03 H HETATM 2614 H GLN A 124 -15.783 -4.853 -37.041 1.00 0.08 H HETATM 2615 H GLN A 124 -17.202 -2.762 -35.686 1.00 0.19 H HETATM 2616 CB GLN A 124 -20.247 -3.898 -34.758 1.00 0.02 C HETATM 2617 CG GLN A 124 -21.433 -3.021 -34.462 1.00 -0.04 C HETATM 2618 CD1 GLN A 124 -21.250 -1.709 -34.076 1.00 -0.06 C HETATM 2619 CE1 GLN A 124 -22.325 -0.885 -33.801 1.00 -0.07 C HETATM 2620 CZ GLN A 124 -23.604 -1.362 -33.938 1.00 -0.07 C HETATM 2621 CE2 GLN A 124 -23.811 -2.671 -34.346 1.00 -0.07 C HETATM 2622 CD2 GLN A 124 -22.726 -3.494 -34.614 1.00 -0.06 C HETATM 2623 H GLN A 124 -22.892 -4.519 -34.946 1.00 0.06 H HETATM 2624 H GLN A 124 -24.826 -3.054 -34.456 1.00 0.06 H HETATM 2625 H GLN A 124 -24.455 -0.714 -33.727 1.00 0.06 H HETATM 2626 H GLN A 124 -22.157 0.142 -33.476 1.00 0.06 H HETATM 2627 H GLN A 124 -20.238 -1.315 -33.986 1.00 0.06 H HETATM 2628 H GLN A 124 -19.521 -3.750 -33.959 1.00 0.05 H HETATM 2629 H GLN A 124 -20.607 -4.924 -34.830 1.00 0.05 H HETATM 2630 H GLN A 124 -19.281 -2.503 -36.064 1.00 0.08 H HETATM 2631 H GLN A 124 -20.798 -4.710 -37.409 1.00 0.19 H HETATM 2632 CB GLN A 124 -23.284 -2.971 -38.421 1.00 0.08 C HETATM 2633 OG GLN A 124 -24.254 -3.083 -39.439 1.00 -0.39 O HETATM 2634 H GLN A 124 -25.131 -3.033 -39.051 1.00 0.21 H HETATM 2635 H GLN A 124 -23.405 -2.013 -37.915 1.00 0.06 H HETATM 2636 H GLN A 124 -23.414 -3.788 -37.711 1.00 0.06 H HETATM 2637 H GLN A 124 -21.774 -2.291 -39.799 1.00 0.08 H HETATM 2638 H GLN A 124 -22.310 -5.113 -39.430 1.00 0.19 H HETATM 2639 CB GLN A 124 -20.219 -7.010 -40.403 1.00 0.00 C HETATM 2640 CG GLN A 124 -18.844 -6.813 -39.780 1.00 0.04 C HETATM 2641 CD GLN A 124 -18.318 -8.092 -39.123 1.00 0.17 C HETATM 2642 OE1 GLN A 124 -18.530 -9.191 -39.630 1.00 -0.40 O HETATM 2643 NE2 GLN A 124 -17.633 -7.948 -37.992 1.00 -0.30 N HETATM 2644 H GLN A 124 -17.262 -8.768 -37.513 1.00 0.18 H HETATM 2645 H GLN A 124 -17.479 -7.017 -37.604 1.00 0.18 H HETATM 2646 H GLN A 124 -18.927 -6.046 -39.010 1.00 0.05 H HETATM 2647 H GLN A 124 -18.151 -6.529 -40.572 1.00 0.05 H HETATM 2648 H GLN A 124 -20.150 -7.884 -41.050 1.00 0.03 H HETATM 2649 H GLN A 124 -20.928 -7.103 -39.580 1.00 0.03 H HETATM 2650 H GLN A 124 -21.735 -6.069 -41.559 1.00 0.08 H HETATM 2651 H GLN A 124 -19.231 -4.980 -42.575 1.00 0.19 H HETATM 2652 H GLN A 124 -19.583 -5.222 -45.094 1.00 0.08 H HETATM 2653 H GLN A 124 -18.243 -6.309 -44.563 1.00 0.08 H HETATM 2654 H GLN A 124 -19.869 -8.111 -45.648 1.00 0.19 H HETATM 2655 CB GLN A 124 -18.633 -8.167 -48.961 1.00 0.04 C HETATM 2656 CG GLN A 124 -18.724 -9.538 -49.595 1.00 0.04 C HETATM 2657 OD1 GLN A 124 -19.272 -10.450 -48.940 1.00 -0.57 O HETATM 2658 OD2 GLN A 124 -18.264 -9.699 -50.742 1.00 -0.57 O HETATM 2659 H GLN A 124 -17.802 -8.176 -48.255 1.00 0.05 H HETATM 2660 H GLN A 124 -18.494 -7.436 -49.757 1.00 0.05 H HETATM 2661 H GLN A 124 -20.274 -8.694 -47.701 1.00 0.08 H HETATM 2662 H GLN A 124 -20.734 -7.172 -50.092 1.00 0.19 H HETATM 2663 CB GLN A 124 -22.926 -4.758 -49.372 1.00 -0.01 C HETATM 2664 CG GLN A 124 -24.287 -4.195 -49.085 1.00 -0.03 C HETATM 2665 CD GLN A 124 -25.104 -5.300 -48.520 1.00 0.04 C HETATM 2666 H GLN A 124 -25.082 -5.330 -47.431 1.00 0.05 H HETATM 2667 H GLN A 124 -26.167 -5.195 -48.736 1.00 0.05 H HETATM 2668 H GLN A 124 -24.743 -3.805 -49.995 1.00 0.03 H HETATM 2669 H GLN A 124 -24.221 -3.366 -48.381 1.00 0.03 H HETATM 2670 H GLN A 124 -22.491 -4.302 -50.261 1.00 0.03 H HETATM 2671 H GLN A 124 -22.234 -4.550 -48.556 1.00 0.03 H HETATM 2672 H GLN A 124 -22.929 -6.616 -50.580 1.00 0.08 H HETATM 2673 CB GLN A 124 -26.492 -8.102 -47.222 1.00 0.08 C HETATM 2674 OG GLN A 124 -25.795 -9.281 -46.867 1.00 -0.39 O HETATM 2675 H GLN A 124 -24.884 -9.213 -47.161 1.00 0.21 H HETATM 2676 H GLN A 124 -27.527 -8.188 -46.890 1.00 0.06 H HETATM 2677 H GLN A 124 -26.009 -7.248 -46.747 1.00 0.06 H HETATM 2678 H GLN A 124 -27.010 -6.996 -49.005 1.00 0.08 H HETATM 2679 H GLN A 124 -27.419 -9.842 -48.866 1.00 0.19 H HETATM 2680 CB GLN A 124 -27.368 -11.355 -51.455 1.00 -0.00 C HETATM 2681 CG GLN A 124 -28.100 -12.578 -51.972 1.00 0.00 C HETATM 2682 CD GLN A 124 -27.209 -13.804 -52.011 1.00 0.04 C HETATM 2683 OE1 GLN A 124 -25.971 -13.642 -51.938 1.00 -0.57 O HETATM 2684 OE2 GLN A 124 -27.743 -14.928 -52.104 1.00 -0.57 O HETATM 2685 H GLN A 124 -28.434 -12.369 -52.988 1.00 0.04 H HETATM 2686 H GLN A 124 -28.933 -12.785 -51.299 1.00 0.04 H HETATM 2687 H GLN A 124 -26.953 -11.612 -50.481 1.00 0.03 H HETATM 2688 H GLN A 124 -26.615 -11.088 -52.197 1.00 0.03 H HETATM 2689 H GLN A 124 -29.045 -10.390 -50.538 1.00 0.08 H HETATM 2690 H GLN A 124 -28.357 -9.695 -53.366 1.00 0.19 H HETATM 2691 CB GLN A 124 -31.456 -7.823 -53.881 1.00 -0.01 C HETATM 2692 CG GLN A 124 -30.503 -6.706 -53.566 1.00 -0.02 C HETATM 2693 CD GLN A 124 -31.183 -5.352 -53.693 1.00 0.06 C HETATM 2694 NE GLN A 124 -30.201 -4.290 -53.540 1.00 -0.27 N HETATM 2695 CZ GLN A 124 -29.839 -3.767 -52.375 1.00 0.29 C HETATM 2696 NH1 GLN A 124 -30.399 -4.188 -51.243 1.00 -0.28 N HETATM 2697 H GLN A 124 -31.112 -4.917 -51.267 1.00 0.26 H HETATM 2698 H GLN A 124 -30.116 -3.781 -50.352 1.00 0.26 H HETATM 2699 NH2 GLN A 124 -28.916 -2.815 -52.345 1.00 -0.28 N HETATM 2700 H GLN A 124 -28.490 -2.490 -53.213 1.00 0.26 H HETATM 2701 H GLN A 124 -28.632 -2.408 -51.454 1.00 0.26 H HETATM 2702 H GLN A 124 -29.761 -3.923 -54.384 1.00 0.26 H HETATM 2703 H GLN A 124 -31.941 -5.256 -52.916 1.00 0.07 H HETATM 2704 H GLN A 124 -31.648 -5.274 -54.676 1.00 0.07 H HETATM 2705 H GLN A 124 -29.673 -6.747 -54.272 1.00 0.03 H HETATM 2706 H GLN A 124 -30.153 -6.825 -52.541 1.00 0.03 H HETATM 2707 H GLN A 124 -32.205 -7.830 -53.089 1.00 0.03 H HETATM 2708 H GLN A 124 -31.845 -7.632 -54.881 1.00 0.03 H HETATM 2709 H GLN A 124 -30.039 -9.248 -54.658 1.00 0.08 H HETATM 2710 H GLN A 124 -32.838 -9.943 -54.072 1.00 0.19 H HETATM 2711 CB GLN A 124 -33.622 -12.438 -53.774 1.00 0.02 C HETATM 2712 CG GLN A 124 -34.938 -13.179 -53.947 1.00 0.04 C HETATM 2713 CD GLN A 124 -36.013 -12.323 -54.585 1.00 0.17 C HETATM 2714 OE1 GLN A 124 -35.730 -11.270 -55.157 1.00 -0.40 O HETATM 2715 NE2 GLN A 124 -37.260 -12.768 -54.483 1.00 -0.30 N HETATM 2716 H GLN A 124 -38.028 -12.232 -54.887 1.00 0.18 H HETATM 2717 H GLN A 124 -37.450 -13.646 -54.000 1.00 0.18 H HETATM 2718 H GLN A 124 -35.288 -13.473 -52.958 1.00 0.05 H HETATM 2719 H GLN A 124 -34.758 -14.032 -54.601 1.00 0.05 H HETATM 2720 H GLN A 124 -33.867 -11.440 -53.412 1.00 0.04 H HETATM 2721 H GLN A 124 -33.011 -13.035 -53.097 1.00 0.04 H HETATM 2722 H GLN A 124 -33.413 -11.749 -55.814 1.00 0.11 H HETATM 2723 H GLN A 124 -31.907 -13.410 -56.480 1.00 0.20 H HETATM 2724 H GLN A 124 -31.885 -14.071 -54.950 1.00 0.20 H HETATM 2725 H GLN A 124 -33.294 -14.077 -55.841 1.00 0.20 H CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 2538 2539 2723 2724 2725 CONECT 2539 2538 2540 2711 2722 CONECT 2540 2539 2541 2542 CONECT 2541 2540 CONECT 2542 2540 2543 2710 CONECT 2543 2542 2544 2691 2709 CONECT 2544 2543 2545 2546 CONECT 2545 2544 CONECT 2546 2544 2547 2690 CONECT 2547 2546 2548 2680 2689 CONECT 2548 2547 2549 2550 CONECT 2549 2548 CONECT 2550 2548 2551 2679 CONECT 2551 2550 2552 2673 2678 CONECT 2552 2551 2553 2554 CONECT 2553 2552 CONECT 2554 2552 2555 2665 CONECT 2555 2554 2556 2663 2672 CONECT 2556 2555 2557 2558 CONECT 2557 2556 CONECT 2558 2556 2559 2662 CONECT 2559 2558 2560 2655 2661 CONECT 2560 2559 2561 2562 CONECT 2561 2560 CONECT 2562 2560 2563 2654 CONECT 2563 2562 2564 2652 2653 CONECT 2564 2563 2565 2566 CONECT 2565 2564 CONECT 2566 2564 2567 2651 CONECT 2567 2566 2568 2639 2650 CONECT 2568 2567 2569 2570 CONECT 2569 2568 CONECT 2570 2568 2571 2638 CONECT 2571 2570 2572 2632 2637 CONECT 2572 2571 2573 2574 CONECT 2573 2572 CONECT 2574 2572 2575 2631 CONECT 2575 2574 2576 2616 2630 CONECT 2576 2575 2577 2578 CONECT 2577 2576 CONECT 2578 2576 2579 2615 CONECT 2579 2578 2580 2596 2614 CONECT 2580 2579 2581 2582 CONECT 2581 2580 CONECT 2582 2580 2583 2595 CONECT 2583 2582 2584 2589 2594 CONECT 2584 2583 2585 2587 2588 CONECT 2585 2584 2586 CONECT 2586 2585 CONECT 2587 2584 CONECT 2588 2584 CONECT 2589 2583 2590 2593 CONECT 2590 2589 2591 2592 CONECT 2591 2590 CONECT 2592 2590 CONECT 2593 2589 CONECT 2594 2583 CONECT 2595 2582 CONECT 2596 2579 2597 2612 2613 CONECT 2597 2596 2598 2610 2611 CONECT 2598 2597 2599 2608 2609 CONECT 2599 2598 2600 2607 CONECT 2600 2599 2601 2604 CONECT 2601 2600 2602 2603 CONECT 2602 2601 CONECT 2603 2601 CONECT 2604 2600 2605 2606 CONECT 2605 2604 CONECT 2606 2604 CONECT 2607 2599 CONECT 2608 2598 CONECT 2609 2598 CONECT 2610 2597 CONECT 2611 2597 CONECT 2612 2596 CONECT 2613 2596 CONECT 2614 2579 CONECT 2615 2578 CONECT 2616 2575 2617 2628 2629 CONECT 2617 2616 2618 2622 CONECT 2618 2617 2619 2627 CONECT 2619 2618 2620 2626 CONECT 2620 2619 2621 2625 CONECT 2621 2620 2622 2624 CONECT 2622 2617 2621 2623 CONECT 2623 2622 CONECT 2624 2621 CONECT 2625 2620 CONECT 2626 2619 CONECT 2627 2618 CONECT 2628 2616 CONECT 2629 2616 CONECT 2630 2575 CONECT 2631 2574 CONECT 2632 2571 2633 2635 2636 CONECT 2633 2632 2634 CONECT 2634 2633 CONECT 2635 2632 CONECT 2636 2632 CONECT 2637 2571 CONECT 2638 2570 CONECT 2639 2567 2640 2648 2649 CONECT 2640 2639 2641 2646 2647 CONECT 2641 2640 2642 2643 CONECT 2642 2641 CONECT 2643 2641 2644 2645 CONECT 2644 2643 CONECT 2645 2643 CONECT 2646 2640 CONECT 2647 2640 CONECT 2648 2639 CONECT 2649 2639 CONECT 2650 2567 CONECT 2651 2566 CONECT 2652 2563 CONECT 2653 2563 CONECT 2654 2562 CONECT 2655 2559 2656 2659 2660 CONECT 2656 2655 2657 2658 CONECT 2657 2656 CONECT 2658 2656 CONECT 2659 2655 CONECT 2660 2655 CONECT 2661 2559 CONECT 2662 2558 CONECT 2663 2555 2664 2670 2671 CONECT 2664 2663 2665 2668 2669 CONECT 2665 2554 2664 2666 2667 CONECT 2666 2665 CONECT 2667 2665 CONECT 2668 2664 CONECT 2669 2664 CONECT 2670 2663 CONECT 2671 2663 CONECT 2672 2555 CONECT 2673 2551 2674 2676 2677 CONECT 2674 2673 2675 CONECT 2675 2674 CONECT 2676 2673 CONECT 2677 2673 CONECT 2678 2551 CONECT 2679 2550 CONECT 2680 2547 2681 2687 2688 CONECT 2681 2680 2682 2685 2686 CONECT 2682 2681 2683 2684 CONECT 2683 2682 CONECT 2684 2682 CONECT 2685 2681 CONECT 2686 2681 CONECT 2687 2680 CONECT 2688 2680 CONECT 2689 2547 CONECT 2690 2546 CONECT 2691 2543 2692 2707 2708 CONECT 2692 2691 2693 2705 2706 CONECT 2693 2692 2694 2703 2704 CONECT 2694 2693 2695 2702 CONECT 2695 2694 2696 2699 CONECT 2696 2695 2697 2698 CONECT 2697 2696 CONECT 2698 2696 CONECT 2699 2695 2700 2701 CONECT 2700 2699 CONECT 2701 2699 CONECT 2702 2694 CONECT 2703 2693 CONECT 2704 2693 CONECT 2705 2692 CONECT 2706 2692 CONECT 2707 2691 CONECT 2708 2691 CONECT 2709 2543 CONECT 2710 2542 CONECT 2711 2539 2712 2720 2721 CONECT 2712 2711 2713 2718 2719 CONECT 2713 2712 2714 2715 CONECT 2714 2713 CONECT 2715 2713 2716 2717 CONECT 2716 2715 CONECT 2717 2715 CONECT 2718 2712 CONECT 2719 2712 CONECT 2720 2711 CONECT 2721 2711 CONECT 2722 2539 CONECT 2723 2538 CONECT 2724 2538 CONECT 2725 2538 MASTER 0 0 0 0 0 0 0 0 2724 1 192 13 END
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Entry Information
PDB ID
3twx
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
ankyrin repeat clusters (ARC4) from human Tankyrase 2
Ligand Name
16-mer
EC.Number
E.C.2.4.2.30
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
Kd=5.5uM
Release Year
2011
Protein/NA Sequence
Check fasta file
Primary Reference
(2011) Cell(Cambridge,Mass.) Vol. 147: pp. 1340-1354
Ligand Properties
Formula
C
5
6
H
9
2
N
2
1
O
2
1
Molecular Weight
1395.460
Exact Mass
1394.680
No. of atoms
190
No. of bonds
191
Polar Surface Area
735.53
LOGP Value
-7.10 (
Computed with XLOGP3
)
-8.34 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 17
No. of Hydrogen Bond Acceptors: 21
No. of Rotatable Bonds: 58
No. of Nitrogen and Oxygen Atoms: 42
No. of Rings: 2
Canonical SMILES
OC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CO)CCC[NH+]=C(N)N)Cc1ccccc1)CO)CCC(=O)N)CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)N)[NH3+])CCC[NH+]=C(N)N)CCC(=O)O
InChI String
InChI=1S/C56H89N21O21/c57-28(12-15-39(58)81)45(89)69-29(9-4-18-65-55(61)62)47(91)71-32(14-17-42(84)85)50(94)76-37(26-80)54(98)77-20-6-11-38(77)53(97)73-34(22-43(86)87)46(90)67-23-41(83)68-31(13-16-40(59)82)49(93)75-36(25-79)52(96)72-33(21-27-7-2-1-3-8-27)51(95)70-30(10-5-19-66-56(63)64)48(92)74-35(24-78)44(60)88/h1-3,7-8,28-38,78-80H,4-6,9-26,57H2,(H2,58,81)(H2,59,82)(H2,60,88)(H,67,90)(H,68,83)(H,69,89)(H,70,95)(H,71,91)(H,72,96)(H,73,97)(H,74,92)(H,75,93)(H,76,94)(H,84,85)(H,86,87)(H4,61,62,65)(H4,63,64,66)/p+3/t28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-/m0/s1
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UniProtKB AC
UniProt accession number (AC):
Q9H2K2
Entrez Gene ID
NCBI Entrez Gene ID:
80351
ASD
Information of known allosteric effects of PDB entries
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