TITLE SUPPORTING INFOMATION FOR: TITLE 2 ENERGETICS OF PROTON RELEASE IN THE S0 TO S1 TRANSITION IN THE WATER OXIDIZING ENZYME TITLE 3 K.SAITO,A.W.RUTHERFORD,H.ISHIKITA REMARK 400 REMARK 400 TABLE OF CONTENTS REMARK 400 GEOMETREIS OF QM REGION IN TABLE 1(MODEL 1-7) REMARK 400 GEOMETREIS OF QM REGION IN TABLE S1(MODEL 8-14) REMARK 400 GEOMETREIS OF QM REGION IN FIGURE 6(MODEL 15) REMARK 400 REMARK 400 TABLE 1 REMARK 400 MODEL 1:PRE-PT S1 REMARK 400 MODEL 2:PRE-PT S0 REMARK 400 MODEL 3:PRE-PT S-1 REMARK 400 MODEL 4:POST-PT S1 REMARK 400 MODEL 5:POST-PT S0 REMARK 400 MODEL 6:POST-PT S-1 REMARK 400 REMARK 400 TABLE S1 (SMALL QM) REMARK 400 MODEL 7:PRE-PT S1 REMARK 400 MODEL 8:PRE-PT S0 REMARK 400 MODEL 9:PRE-PT S-1 REMARK 400 MODEL 10:POST-PT S1 REMARK 400 MODEL 11:POST-PT S0 REMARK 400 MODEL 12:POST-PT S-1 REMARK 400 REMARK 400 FIGURE 6 REMARK 400 MODEL 13:PRE-PT-LIKE S1 REMARK 400 REMARK 400 REMARK 400 TABLE OF WATER NUMBER REMARK 400 IN THIS FILE: IN ORIGINAL PDB (3ARC) REMARK 400 REMARK 400 HOH 0 125: HOH A 1000(W1) REMARK 400 HOH 0 124: HOH A 999(W2) REMARK 400 HOH 0 77: HOH A 541(W3) REMARK 400 HOH 0 78: HOH A 540(W4) REMARK 400 HOH 0 76: HOH A 539 REMARK 400 HOH 0 539: HOH A 538 REMARK 400 HOH 0 49: HOH A 393 REMARK 400 HOH 0 53: HOH A 397 REMARK 400 HOH 0 478: HOH A 478 REMARK 400 HOH 0 81: HOH C 545 REMARK 400 HOH 0 561: HOH A 1047 REMARK 400 HOH 0 55: HOH C 399 REMARK 400 HOH 0 68: HOH A 446 REMARK 400 HOH 0 57: HOH A 442 REMARK 400 REMARK 400 MODEL 1 ATOM 1 N ASP A 61 -30.489 -26.379 200.029 1.00 21.15 ACHN N ATOM 2 CA ASP A 61 -30.255 -27.065 201.277 1.00 21.56 ACHN C ATOM 3 C ASP A 61 -31.169 -26.546 202.353 1.00 21.71 ACHN C ATOM 4 O ASP A 61 -31.217 -26.925 203.505 1.00 21.78 ACHN O ATOM 5 CB ASP A 61 -28.794 -27.282 201.687 1.00 21.80 ACHN C ATOM 6 CG ASP A 61 -28.157 -28.450 200.912 1.00 22.68 ACHN C ATOM 7 OD1 ASP A 61 -28.957 -29.337 200.417 1.00 23.26 ACHN O ATOM 8 OD2 ASP A 61 -26.924 -28.476 200.801 1.00 24.86 ACHN O1- ATOM 9 HN ASP A 61 -29.843 -25.614 199.833 1.00 0.00 ACHN H ATOM 10 HA ASP A 61 -30.597 -28.109 201.216 1.00 0.00 ACHN H ATOM 11 1HB ASP A 61 -28.193 -26.381 201.543 1.00 0.00 ACHN H ATOM 12 2HB ASP A 61 -28.760 -27.528 202.757 1.00 0.00 ACHN H ATOM 13 CB ASP A 170 -30.715 -35.950 198.894 1.00 21.68 ACHN C ATOM 14 CG ASP A 170 -29.887 -35.352 200.053 1.00 22.58 ACHN C ATOM 15 OD1 ASP A 170 -30.032 -35.878 201.172 1.00 23.88 ACHN O ATOM 16 OD2 ASP A 170 -29.012 -34.458 199.754 1.00 23.14 ACHN O1- ATOM 17 1HB ASP A 170 -31.719 -36.190 199.254 1.00 0.00 ACHN H ATOM 18 2HB ASP A 170 -30.225 -36.902 198.666 1.00 0.00 ACHN H ATOM 19 CB GLU A 189 -23.577 -40.594 202.327 1.00 21.61 ACHN C ATOM 20 CG GLU A 189 -23.395 -39.153 202.834 1.00 23.95 ACHN C ATOM 21 CD GLU A 189 -24.429 -38.084 202.495 1.00 24.58 ACHN C ATOM 22 OE1 GLU A 189 -25.489 -38.274 201.867 1.00 26.37 ACHN O ATOM 23 OE2 GLU A 189 -24.072 -36.928 202.953 1.00 25.15 ACHN O1- ATOM 24 1HB GLU A 189 -23.662 -40.628 201.234 1.00 0.00 ACHN H ATOM 25 2HB GLU A 189 -24.503 -41.014 202.735 1.00 0.00 ACHN H ATOM 26 1HG GLU A 189 -23.352 -39.148 203.929 1.00 0.00 ACHN H ATOM 27 2HG GLU A 189 -22.439 -38.716 202.532 1.00 0.00 ACHN H ATOM 28 ND1 HIS A 332 -21.318 -33.796 203.909 1.00 19.15 ACHN N ATOM 29 CG HIS A 332 -21.595 -33.426 202.608 1.00 20.35 ACHN C ATOM 30 CB HIS A 332 -20.660 -32.718 201.689 1.00 20.37 ACHN C ATOM 31 NE2 HIS A 332 -23.384 -34.388 203.551 1.00 20.03 ACHN N ATOM 32 CD2 HIS A 332 -22.894 -33.808 202.398 1.00 19.86 ACHN C ATOM 33 CE1 HIS A 332 -22.400 -34.357 204.446 1.00 22.82 ACHN C ATOM 34 HD1 HIS A 332 -20.442 -33.670 204.434 1.00 0.00 ACHN H ATOM 35 1HB HIS A 332 -21.202 -32.589 200.755 1.00 0.00 ACHN H ATOM 36 2HB HIS A 332 -19.796 -33.344 201.453 1.00 0.00 ACHN H ATOM 37 HD2 HIS A 332 -23.504 -33.699 201.515 1.00 0.00 ACHN H ATOM 38 HE1 HIS A 332 -22.450 -34.739 205.450 1.00 0.00 ACHN H ATOM 39 CB GLU A 333 -24.228 -29.605 202.856 1.00 21.00 ACHN C ATOM 40 CG GLU A 333 -24.597 -30.402 201.598 1.00 21.57 ACHN C ATOM 41 CD GLU A 333 -25.736 -31.387 201.776 1.00 21.75 ACHN C ATOM 42 OE1 GLU A 333 -26.059 -31.795 202.928 1.00 24.22 ACHN O ATOM 43 OE2 GLU A 333 -26.260 -31.820 200.690 1.00 22.07 ACHN O1- ATOM 44 1HB GLU A 333 -24.162 -30.287 203.698 1.00 0.00 ACHN H ATOM 45 2HB GLU A 333 -25.034 -28.898 203.074 1.00 0.00 ACHN H ATOM 46 1HG GLU A 333 -24.868 -29.755 200.763 1.00 0.00 ACHN H ATOM 47 2HG GLU A 333 -23.783 -31.054 201.252 1.00 0.00 ACHN H ATOM 48 N ASN A 335 -22.482 -25.636 205.860 1.00 20.40 ACHN N ATOM 49 CA ASN A 335 -23.308 -24.906 206.774 1.00 20.97 ACHN C ATOM 50 C ASN A 335 -24.671 -25.542 207.086 1.00 21.34 ACHN C ATOM 51 O ASN A 335 -25.575 -24.901 207.652 1.00 21.67 ACHN O ATOM 52 HN ASN A 335 -22.801 -25.688 204.895 1.00 0.00 ACHN H ATOM 53 HA ASN A 335 -22.847 -24.750 207.756 1.00 0.00 ACHN H ATOM 54 N ALA A 336 -24.815 -26.835 206.724 1.00 21.01 ACHN N ATOM 55 CA ALA A 336 -26.092 -27.462 206.910 1.00 21.41 ACHN C ATOM 56 C ALA A 336 -26.247 -28.436 208.035 1.00 21.66 ACHN C ATOM 57 O ALA A 336 -27.344 -28.890 208.316 1.00 21.57 ACHN O ATOM 58 HN ALA A 336 -24.039 -27.333 206.278 1.00 0.00 ACHN H ATOM 59 HA ALA A 336 -26.839 -26.680 207.064 1.00 0.00 ACHN H ATOM 60 CB ASN A 338 -27.106 -27.939 213.935 1.00 22.21 ACHN C ATOM 61 CG ASN A 338 -27.532 -26.798 213.007 1.00 22.29 ACHN C ATOM 62 OD1 ASN A 338 -26.766 -26.205 212.233 1.00 22.43 ACHN O ATOM 63 ND2 ASN A 338 -28.840 -26.491 213.117 1.00 20.65 ACHN N ATOM 64 1HB ASN A 338 -27.901 -28.690 213.979 1.00 0.00 ACHN H ATOM 65 2HB ASN A 338 -27.002 -27.530 214.949 1.00 0.00 ACHN H ATOM 66 1HD2 ASN A 338 -29.235 -25.695 212.607 1.00 0.00 ACHN H ATOM 67 2HD2 ASN A 338 -29.408 -26.875 213.867 1.00 0.00 ACHN H ATOM 68 CB ASP A 342 -24.407 -36.726 208.099 1.00 21.99 ACHN C ATOM 69 CG ASP A 342 -25.042 -36.170 206.822 1.00 22.35 ACHN C ATOM 70 OD1 ASP A 342 -26.270 -35.809 206.817 1.00 20.72 ACHN O ATOM 71 OD2 ASP A 342 -24.285 -36.045 205.818 1.00 23.49 ACHN O1- ATOM 72 1HB ASP A 342 -23.727 -35.947 208.463 1.00 0.00 ACHN H ATOM 73 2HB ASP A 342 -23.783 -37.576 207.831 1.00 0.00 ACHN H ATOM 74 CA ALA A 344 -29.944 -38.424 206.110 1.00 24.73 ACHN C ATOM 75 C ALA A 344 -29.318 -37.328 205.278 1.00 25.09 ACHN C ATOM 76 O ALA A 344 -28.646 -36.462 205.938 1.00 0.00 ACHN O ATOM 77 CB ALA A 344 -31.380 -38.049 206.415 1.00 24.24 ACHN C ATOM 78 OXT ALA A 344 -29.502 -37.350 204.038 1.00 0.00 ACHN O1- ATOM 79 HA ALA A 344 -29.852 -39.358 205.555 1.00 0.00 ACHN H ATOM 80 1HB ALA A 344 -31.877 -38.803 207.033 1.00 0.00 ACHN H ATOM 81 2HB ALA A 344 -31.395 -37.081 206.924 1.00 0.00 ACHN H ATOM 82 3HB ALA A 344 -31.942 -37.956 205.483 1.00 0.00 ACHN H TER 83 ALA A 344 ATOM 84 CB THR C 335 -27.872 -21.070 207.975 1.00 23.42 CCHN C ATOM 85 OG1 THR C 335 -29.025 -21.499 208.739 1.00 24.34 CCHN O ATOM 86 CG2 THR C 335 -26.864 -22.197 207.740 1.00 23.00 CCHN C ATOM 87 HB THR C 335 -28.239 -20.721 207.004 1.00 0.00 CCHN H ATOM 88 HG1 THR C 335 -29.364 -22.299 208.300 1.00 0.00 CCHN H ATOM 89 1HG2 THR C 335 -27.354 -23.112 207.406 1.00 0.00 CCHN H ATOM 90 2HG2 THR C 335 -26.161 -21.904 206.956 1.00 0.00 CCHN H ATOM 91 3HG2 THR C 335 -26.291 -22.508 208.616 1.00 0.00 CCHN H ATOM 92 N GLY C 338 -32.860 -20.825 213.333 1.00 22.70 CCHN N ATOM 93 CA GLY C 338 -32.577 -21.386 214.632 1.00 23.50 CCHN C ATOM 94 C GLY C 338 -31.960 -22.766 214.631 1.00 24.14 CCHN C ATOM 95 O GLY C 338 -32.145 -23.623 213.792 1.00 24.00 CCHN O ATOM 96 HN GLY C 338 -33.827 -20.741 213.023 1.00 0.00 CCHN H ATOM 97 1HA GLY C 338 -33.469 -21.364 215.260 1.00 0.00 CCHN H ATOM 98 2HA GLY C 338 -31.821 -20.763 215.106 1.00 0.00 CCHN H ATOM 99 CB GLU C 354 -29.954 -32.133 207.871 1.00 22.38 CCHN C ATOM 100 CG GLU C 354 -28.706 -31.596 207.119 1.00 21.52 CCHN C ATOM 101 CD GLU C 354 -28.208 -32.583 206.072 1.00 22.76 CCHN C ATOM 102 OE1 GLU C 354 -28.082 -33.805 206.431 1.00 22.57 CCHN O ATOM 103 OE2 GLU C 354 -27.935 -32.164 204.899 1.00 23.15 CCHN O1- ATOM 104 1HB GLU C 354 -29.660 -32.642 208.793 1.00 0.00 CCHN H ATOM 105 2HB GLU C 354 -30.447 -32.884 207.238 1.00 0.00 CCHN H ATOM 106 1HG GLU C 354 -28.885 -30.641 206.629 1.00 0.00 CCHN H ATOM 107 2HG GLU C 354 -27.888 -31.415 207.826 1.00 0.00 CCHN H ATOM 108 CB ARG C 357 -35.917 -33.038 205.115 1.00 22.16 CCHN C ATOM 109 CG ARG C 357 -35.228 -34.244 205.765 1.00 22.66 CCHN C ATOM 110 CD ARG C 357 -34.180 -34.885 204.872 1.00 23.36 CCHN C ATOM 111 NE ARG C 357 -33.086 -33.977 204.576 1.00 23.04 CCHN N ATOM 112 CZ ARG C 357 -31.915 -34.402 204.067 1.00 27.46 CCHN C ATOM 113 NH1 ARG C 357 -31.751 -35.702 203.803 1.00 26.40 CCHN N ATOM 114 NH2 ARG C 357 -30.933 -33.533 203.838 1.00 23.92 CCHN N1+ ATOM 115 1HB ARG C 357 -36.397 -33.343 204.180 1.00 0.00 CCHN H ATOM 116 2HB ARG C 357 -35.208 -32.251 204.876 1.00 0.00 CCHN H ATOM 117 1HG ARG C 357 -34.762 -33.981 206.721 1.00 0.00 CCHN H ATOM 118 2HG ARG C 357 -35.942 -35.046 205.958 1.00 0.00 CCHN H ATOM 119 1HD ARG C 357 -33.764 -35.747 205.396 1.00 0.00 CCHN H ATOM 120 2HD ARG C 357 -34.652 -35.253 203.953 1.00 0.00 CCHN H ATOM 121 HE ARG C 357 -33.340 -33.026 204.289 1.00 0.00 CCHN H ATOM 122 1HH1 ARG C 357 -30.836 -36.096 203.604 1.00 0.00 CCHN H ATOM 123 2HH1 ARG C 357 -32.537 -36.340 203.823 1.00 0.00 CCHN H ATOM 124 1HH2 ARG C 357 -29.994 -33.894 203.639 1.00 0.00 CCHN H ATOM 125 2HH2 ARG C 357 -30.980 -32.584 204.200 1.00 0.00 CCHN H TER 126 ARG C 357 ATOM 127 CB ASN D 350 -21.478 -26.285 210.870 1.00 22.37 DCHN C ATOM 128 CG ASN D 350 -21.818 -25.708 212.236 1.00 22.42 DCHN C ATOM 129 OD1 ASN D 350 -21.002 -25.010 212.843 1.00 23.27 DCHN O ATOM 130 ND2 ASN D 350 -23.063 -25.950 212.690 1.00 22.37 DCHN N ATOM 131 1HB ASN D 350 -21.249 -25.424 210.249 1.00 0.00 DCHN H ATOM 132 2HB ASN D 350 -22.288 -26.825 210.381 1.00 0.00 DCHN H ATOM 133 1HD2 ASN D 350 -23.389 -25.474 213.539 1.00 0.00 DCHN H ATOM 134 2HD2 ASN D 350 -23.678 -26.595 212.198 1.00 0.00 DCHN H TER 135 ASN D 350 HETATM 136 MN1 OEC 1 -24.997 -35.527 203.835 1.00 22.62 OECXMn2+ HETATM 137 MN2 OEC 1 -27.354 -35.230 205.264 1.00 22.88 OECXMn2+ HETATM 138 MN3 OEC 1 -27.264 -33.339 203.284 1.00 23.49 OECXMn2+ HETATM 139 MN4 OEC 1 -27.640 -33.186 200.471 1.00 26.26 OECXMn2+ HETATM 140 CA1 OEC 1 -27.925 -36.468 202.258 1.00 24.57 OECXCa2+ HETATM 141 O1 OEC 1 -26.556 -36.440 204.161 1.00 22.48 OECX O1- HETATM 142 O2 OEC 1 -28.403 -34.651 203.886 1.00 25.22 OECX O1- HETATM 143 O3 OEC 1 -26.097 -34.101 204.508 1.00 23.27 OECX O1- HETATM 144 O4 OEC 1 -28.548 -32.723 201.989 1.00 26.62 OECX O1- HETATM 145 O5 OEC 1 -26.647 -34.350 201.978 1.00 24.13 OECX O1- HETATM 146 HO4 OEC 1 -29.319 -31.959 201.918 1.00 0.00 OECX H HETATM 147 O HOH 0 49 -30.511 -28.374 205.699 1.00 24.15 WATR O HETATM 148 H1 HOH 0 49 -30.599 -27.653 205.056 1.00 0.00 WATR H HETATM 149 H2 HOH 0 49 -30.138 -27.965 206.536 1.00 0.00 WATR H HETATM 150 O HOH 0 53 -29.534 -27.262 207.863 1.00 20.44 WATR O HETATM 151 H1 HOH 0 53 -28.715 -27.678 208.189 1.00 0.00 WATR H HETATM 152 H2 HOH 0 53 -29.730 -26.462 208.400 1.00 0.00 WATR H HETATM 153 O HOH 0 55 -27.477 -25.361 209.695 1.00 34.79 WATR O HETATM 154 H1 HOH 0 55 -26.725 -25.255 209.072 1.00 0.00 WATR H HETATM 155 H2 HOH 0 55 -27.116 -25.752 210.525 1.00 0.00 WATR H HETATM 156 O HOH 0 76 -30.292 -31.007 201.811 1.00 23.89 WATR O HETATM 157 H1 HOH 0 76 -29.821 -30.282 201.296 1.00 0.00 WATR H HETATM 158 H2 HOH 0 76 -30.249 -30.681 202.772 1.00 0.00 WATR H HETATM 159 O HOH 0 77 -28.259 -38.816 202.143 1.00 27.39 WATR O HETATM 160 H1 HOH 0 77 -27.869 -39.439 201.505 1.00 0.00 WATR H HETATM 161 H2 HOH 0 77 -28.944 -39.302 202.647 1.00 0.00 WATR H HETATM 162 O HOH 0 78 -27.262 -36.952 199.985 1.00 26.05 WATR O HETATM 163 H1 HOH 0 78 -26.426 -37.453 200.020 1.00 0.00 WATR H HETATM 164 H2 HOH 0 78 -27.278 -36.472 199.134 1.00 0.00 WATR H HETATM 165 O HOH 0 81 -30.210 -24.341 211.831 1.00 35.82 WATR O HETATM 166 H1 HOH 0 81 -29.460 -23.700 211.637 1.00 0.00 WATR H HETATM 167 H2 HOH 0 81 -30.809 -23.963 212.502 1.00 0.00 WATR H HETATM 168 O HOH 0 124 -26.463 -33.837 198.902 1.00 29.00 WATR O HETATM 169 H1 HOH 0 124 -26.930 -34.263 198.155 1.00 0.00 WATR H HETATM 170 H2 HOH 0 124 -25.924 -33.077 198.563 1.00 0.00 WATR H HETATM 171 O HOH 0 125 -28.434 -31.596 199.128 1.00 22.35 WATR O HETATM 172 H1 HOH 0 125 -29.280 -31.752 198.671 1.00 0.00 WATR H HETATM 173 H2 HOH 0 125 -28.487 -30.685 199.567 1.00 0.00 WATR H HETATM 174 O HOH 0 478 -30.673 -25.071 209.253 1.00 48.29 WATR O HETATM 175 H1 HOH 0 478 -30.491 -24.842 210.198 1.00 0.00 WATR H HETATM 176 H2 HOH 0 478 -31.635 -25.178 209.204 1.00 0.00 WATR H HETATM 177 O HOH 0 539 -29.847 -30.431 204.253 1.00 24.55 WATR O HETATM 178 H1 HOH 0 539 -30.026 -29.632 204.843 1.00 0.00 WATR H HETATM 179 H2 HOH 0 539 -28.962 -30.790 204.463 1.00 0.00 WATR H HETATM 180 O HOH 0 651 -28.152 -23.028 210.899 1.00 35.35 WATR O HETATM 181 H1 HOH 0 651 -27.834 -23.850 210.428 1.00 0.00 WATR H HETATM 182 H2 HOH 0 651 -28.521 -22.462 210.191 1.00 0.00 WATR H ENDMDL MODEL 2 ATOM 1 N ASP A 61 -30.502 -26.377 200.036 1.00 21.15 ACHN N ATOM 2 CA ASP A 61 -30.268 -27.082 201.279 1.00 21.56 ACHN C ATOM 3 C ASP A 61 -31.172 -26.551 202.356 1.00 21.71 ACHN C ATOM 4 O ASP A 61 -31.222 -26.924 203.510 1.00 21.78 ACHN O ATOM 5 CB ASP A 61 -28.809 -27.331 201.674 1.00 21.80 ACHN C ATOM 6 CG ASP A 61 -28.177 -28.481 200.866 1.00 22.68 ACHN C ATOM 7 OD1 ASP A 61 -28.958 -29.395 200.393 1.00 23.26 ACHN O ATOM 8 OD2 ASP A 61 -26.945 -28.454 200.719 1.00 24.86 ACHN O1- ATOM 9 HN ASP A 61 -29.836 -25.630 199.839 1.00 0.00 ACHN H ATOM 10 HA ASP A 61 -30.624 -28.122 201.218 1.00 0.00 ACHN H ATOM 11 1HB ASP A 61 -28.199 -26.432 201.554 1.00 0.00 ACHN H ATOM 12 2HB ASP A 61 -28.772 -27.629 202.729 1.00 0.00 ACHN H ATOM 13 CB ASP A 170 -30.861 -36.061 198.814 1.00 21.68 ACHN C ATOM 14 CG ASP A 170 -30.107 -35.596 200.073 1.00 22.58 ACHN C ATOM 15 OD1 ASP A 170 -30.328 -36.266 201.121 1.00 23.88 ACHN O ATOM 16 OD2 ASP A 170 -29.242 -34.685 199.963 1.00 23.14 ACHN O1- ATOM 17 1HB ASP A 170 -31.902 -36.289 199.069 1.00 0.00 ACHN H ATOM 18 2HB ASP A 170 -30.393 -37.018 198.562 1.00 0.00 ACHN H ATOM 19 CB GLU A 189 -23.555 -40.560 202.378 1.00 21.61 ACHN C ATOM 20 CG GLU A 189 -23.312 -39.140 202.917 1.00 23.95 ACHN C ATOM 21 CD GLU A 189 -24.356 -38.107 202.547 1.00 24.58 ACHN C ATOM 22 OE1 GLU A 189 -25.383 -38.438 201.917 1.00 26.37 ACHN O ATOM 23 OE2 GLU A 189 -24.092 -36.915 202.941 1.00 25.15 ACHN O1- ATOM 24 1HB GLU A 189 -23.674 -40.558 201.289 1.00 0.00 ACHN H ATOM 25 2HB GLU A 189 -24.482 -40.964 202.798 1.00 0.00 ACHN H ATOM 26 1HG GLU A 189 -23.267 -39.148 204.011 1.00 0.00 ACHN H ATOM 27 2HG GLU A 189 -22.353 -38.713 202.612 1.00 0.00 ACHN H ATOM 28 ND1 HIS A 332 -21.347 -33.804 203.910 1.00 19.15 ACHN N ATOM 29 CG HIS A 332 -21.616 -33.420 202.612 1.00 20.35 ACHN C ATOM 30 CB HIS A 332 -20.668 -32.718 201.698 1.00 20.37 ACHN C ATOM 31 NE2 HIS A 332 -23.422 -34.370 203.540 1.00 20.03 ACHN N ATOM 32 CD2 HIS A 332 -22.920 -33.786 202.396 1.00 19.86 ACHN C ATOM 33 CE1 HIS A 332 -22.443 -34.356 204.438 1.00 22.82 ACHN C ATOM 34 HD1 HIS A 332 -20.475 -33.684 204.440 1.00 0.00 ACHN H ATOM 35 1HB HIS A 332 -21.206 -32.590 200.761 1.00 0.00 ACHN H ATOM 36 2HB HIS A 332 -19.807 -33.351 201.466 1.00 0.00 ACHN H ATOM 37 HD2 HIS A 332 -23.528 -33.655 201.513 1.00 0.00 ACHN H ATOM 38 HE1 HIS A 332 -22.505 -34.741 205.440 1.00 0.00 ACHN H ATOM 39 CB GLU A 333 -24.231 -29.595 202.864 1.00 21.00 ACHN C ATOM 40 CG GLU A 333 -24.605 -30.369 201.600 1.00 21.57 ACHN C ATOM 41 CD GLU A 333 -25.768 -31.331 201.744 1.00 21.75 ACHN C ATOM 42 OE1 GLU A 333 -26.182 -31.658 202.907 1.00 24.22 ACHN O ATOM 43 OE2 GLU A 333 -26.215 -31.814 200.665 1.00 22.07 ACHN O1- ATOM 44 1HB GLU A 333 -24.165 -30.288 203.697 1.00 0.00 ACHN H ATOM 45 2HB GLU A 333 -25.031 -28.885 203.098 1.00 0.00 ACHN H ATOM 46 1HG GLU A 333 -24.857 -29.706 200.770 1.00 0.00 ACHN H ATOM 47 2HG GLU A 333 -23.799 -31.027 201.250 1.00 0.00 ACHN H ATOM 48 N ASN A 335 -22.479 -25.634 205.857 1.00 20.40 ACHN N ATOM 49 CA ASN A 335 -23.306 -24.906 206.771 1.00 20.97 ACHN C ATOM 50 C ASN A 335 -24.666 -25.541 207.092 1.00 21.34 ACHN C ATOM 51 O ASN A 335 -25.562 -24.901 207.677 1.00 21.67 ACHN O ATOM 52 HN ASN A 335 -22.802 -25.694 204.894 1.00 0.00 ACHN H ATOM 53 HA ASN A 335 -22.844 -24.747 207.752 1.00 0.00 ACHN H ATOM 54 N ALA A 336 -24.815 -26.827 206.717 1.00 21.01 ACHN N ATOM 55 CA ALA A 336 -26.089 -27.457 206.905 1.00 21.41 ACHN C ATOM 56 C ALA A 336 -26.246 -28.418 208.041 1.00 21.66 ACHN C ATOM 57 O ALA A 336 -27.348 -28.838 208.348 1.00 21.57 ACHN O ATOM 58 HN ALA A 336 -24.042 -27.319 206.257 1.00 0.00 ACHN H ATOM 59 HA ALA A 336 -26.839 -26.676 207.053 1.00 0.00 ACHN H ATOM 60 CB ASN A 338 -27.105 -27.940 213.938 1.00 22.21 ACHN C ATOM 61 CG ASN A 338 -27.514 -26.783 213.022 1.00 22.29 ACHN C ATOM 62 OD1 ASN A 338 -26.731 -26.169 212.285 1.00 22.43 ACHN O ATOM 63 ND2 ASN A 338 -28.826 -26.484 213.108 1.00 20.65 ACHN N ATOM 64 1HB ASN A 338 -27.903 -28.689 213.963 1.00 0.00 ACHN H ATOM 65 2HB ASN A 338 -27.008 -27.545 214.958 1.00 0.00 ACHN H ATOM 66 1HD2 ASN A 338 -29.212 -25.676 212.611 1.00 0.00 ACHN H ATOM 67 2HD2 ASN A 338 -29.408 -26.889 213.836 1.00 0.00 ACHN H ATOM 68 CB ASP A 342 -24.416 -36.722 208.092 1.00 21.99 ACHN C ATOM 69 CG ASP A 342 -25.071 -36.181 206.811 1.00 22.35 ACHN C ATOM 70 OD1 ASP A 342 -26.289 -35.821 206.812 1.00 20.72 ACHN O ATOM 71 OD2 ASP A 342 -24.315 -36.087 205.794 1.00 23.49 ACHN O1- ATOM 72 1HB ASP A 342 -23.746 -35.931 208.448 1.00 0.00 ACHN H ATOM 73 2HB ASP A 342 -23.781 -37.566 207.829 1.00 0.00 ACHN H ATOM 74 CA ALA A 344 -29.957 -38.430 206.120 1.00 24.73 ACHN C ATOM 75 C ALA A 344 -29.356 -37.330 205.277 1.00 25.09 ACHN C ATOM 76 O ALA A 344 -28.681 -36.458 205.917 1.00 0.00 ACHN O ATOM 77 CB ALA A 344 -31.398 -38.074 206.420 1.00 24.24 ACHN C ATOM 78 OXT ALA A 344 -29.567 -37.372 204.039 1.00 0.00 ACHN O1- ATOM 79 HA ALA A 344 -29.853 -39.370 205.577 1.00 0.00 ACHN H ATOM 80 1HB ALA A 344 -31.883 -38.817 207.060 1.00 0.00 ACHN H ATOM 81 2HB ALA A 344 -31.427 -37.088 206.896 1.00 0.00 ACHN H ATOM 82 3HB ALA A 344 -31.960 -38.021 205.485 1.00 0.00 ACHN H TER 83 ALA A 344 ATOM 84 CB THR C 335 -27.873 -21.070 207.976 1.00 23.42 CCHN C ATOM 85 OG1 THR C 335 -29.030 -21.496 208.737 1.00 24.34 CCHN O ATOM 86 CG2 THR C 335 -26.866 -22.198 207.742 1.00 23.00 CCHN C ATOM 87 HB THR C 335 -28.239 -20.722 207.003 1.00 0.00 CCHN H ATOM 88 HG1 THR C 335 -29.357 -22.310 208.316 1.00 0.00 CCHN H ATOM 89 1HG2 THR C 335 -27.355 -23.113 207.406 1.00 0.00 CCHN H ATOM 90 2HG2 THR C 335 -26.162 -21.906 206.958 1.00 0.00 CCHN H ATOM 91 3HG2 THR C 335 -26.294 -22.512 208.617 1.00 0.00 CCHN H ATOM 92 N GLY C 338 -32.858 -20.823 213.335 1.00 22.70 CCHN N ATOM 93 CA GLY C 338 -32.576 -21.383 214.634 1.00 23.50 CCHN C ATOM 94 C GLY C 338 -31.964 -22.766 214.635 1.00 24.14 CCHN C ATOM 95 O GLY C 338 -32.159 -23.624 213.800 1.00 24.00 CCHN O ATOM 96 HN GLY C 338 -33.826 -20.742 213.024 1.00 0.00 CCHN H ATOM 97 1HA GLY C 338 -33.469 -21.360 215.260 1.00 0.00 CCHN H ATOM 98 2HA GLY C 338 -31.819 -20.761 215.108 1.00 0.00 CCHN H ATOM 99 CB GLU C 354 -29.979 -32.165 207.943 1.00 22.38 CCHN C ATOM 100 CG GLU C 354 -28.653 -31.632 207.354 1.00 21.52 CCHN C ATOM 101 CD GLU C 354 -28.206 -32.516 206.214 1.00 22.76 CCHN C ATOM 102 OE1 GLU C 354 -28.059 -33.770 206.471 1.00 22.57 CCHN O ATOM 103 OE2 GLU C 354 -28.019 -31.996 205.083 1.00 23.15 CCHN O1- ATOM 104 1HB GLU C 354 -29.798 -32.721 208.868 1.00 0.00 CCHN H ATOM 105 2HB GLU C 354 -30.431 -32.870 207.233 1.00 0.00 CCHN H ATOM 106 1HG GLU C 354 -28.728 -30.612 206.977 1.00 0.00 CCHN H ATOM 107 2HG GLU C 354 -27.878 -31.615 208.125 1.00 0.00 CCHN H ATOM 108 CB ARG C 357 -35.913 -33.041 205.121 1.00 22.16 CCHN C ATOM 109 CG ARG C 357 -35.161 -34.193 205.802 1.00 22.66 CCHN C ATOM 110 CD ARG C 357 -34.195 -34.921 204.880 1.00 23.36 CCHN C ATOM 111 NE ARG C 357 -33.176 -34.055 204.329 1.00 23.04 CCHN N ATOM 112 CZ ARG C 357 -32.057 -34.505 203.726 1.00 27.46 CCHN C ATOM 113 NH1 ARG C 357 -31.811 -35.813 203.731 1.00 26.40 CCHN N ATOM 114 NH2 ARG C 357 -31.236 -33.635 203.142 1.00 23.92 CCHN N1+ ATOM 115 1HB ARG C 357 -36.405 -33.400 204.209 1.00 0.00 CCHN H ATOM 116 2HB ARG C 357 -35.241 -32.242 204.828 1.00 0.00 CCHN H ATOM 117 1HG ARG C 357 -34.622 -33.854 206.691 1.00 0.00 CCHN H ATOM 118 2HG ARG C 357 -35.847 -34.977 206.124 1.00 0.00 CCHN H ATOM 119 1HD ARG C 357 -33.701 -35.706 205.455 1.00 0.00 CCHN H ATOM 120 2HD ARG C 357 -34.766 -35.410 204.082 1.00 0.00 CCHN H ATOM 121 HE ARG C 357 -33.450 -33.108 204.049 1.00 0.00 CCHN H ATOM 122 1HH1 ARG C 357 -30.918 -36.196 203.442 1.00 0.00 CCHN H ATOM 123 2HH1 ARG C 357 -32.552 -36.479 203.917 1.00 0.00 CCHN H ATOM 124 1HH2 ARG C 357 -30.279 -33.860 202.865 1.00 0.00 CCHN H ATOM 125 2HH2 ARG C 357 -31.421 -32.641 203.208 1.00 0.00 CCHN H TER 126 ARG C 357 ATOM 127 CB ASN D 350 -21.478 -26.285 210.870 1.00 22.37 DCHN C ATOM 128 CG ASN D 350 -21.817 -25.711 212.237 1.00 22.42 DCHN C ATOM 129 OD1 ASN D 350 -20.996 -25.023 212.852 1.00 23.27 DCHN O ATOM 130 ND2 ASN D 350 -23.064 -25.947 212.686 1.00 22.37 DCHN N ATOM 131 1HB ASN D 350 -21.251 -25.424 210.248 1.00 0.00 DCHN H ATOM 132 2HB ASN D 350 -22.287 -26.826 210.381 1.00 0.00 DCHN H ATOM 133 1HD2 ASN D 350 -23.392 -25.470 213.534 1.00 0.00 DCHN H ATOM 134 2HD2 ASN D 350 -23.684 -26.580 212.186 1.00 0.00 DCHN H TER 135 ASN D 350 HETATM 136 MN1 OEC 1 -25.074 -35.502 203.834 1.00 22.62 OECXMn2+ HETATM 137 MN2 OEC 1 -27.423 -35.157 205.224 1.00 22.88 OECXMn2+ HETATM 138 MN3 OEC 1 -27.414 -33.135 203.342 1.00 23.49 OECXMn2+ HETATM 139 MN4 OEC 1 -27.627 -33.306 200.494 1.00 26.26 OECXMn2+ HETATM 140 CA1 OEC 1 -28.179 -36.336 202.275 1.00 24.57 OECXCa2+ HETATM 141 O1 OEC 1 -26.638 -36.401 204.103 1.00 22.48 OECX O1- HETATM 142 O2 OEC 1 -28.508 -34.575 203.939 1.00 25.22 OECX O1- HETATM 143 O3 OEC 1 -26.129 -34.075 204.469 1.00 23.27 OECX O1- HETATM 144 O4 OEC 1 -28.744 -32.758 202.053 1.00 26.62 OECX O1- HETATM 145 O5 OEC 1 -26.810 -34.396 201.592 1.00 24.13 OECX O1- HETATM 146 HO4 OEC 1 -29.312 -31.925 202.039 1.00 0.00 OECX H HETATM 147 O HOH 0 49 -30.642 -28.283 205.817 1.00 24.15 WATR O HETATM 148 H1 HOH 0 49 -30.750 -27.558 205.180 1.00 0.00 WATR H HETATM 149 H2 HOH 0 49 -30.243 -27.867 206.633 1.00 0.00 WATR H HETATM 150 O HOH 0 53 -29.527 -27.182 207.943 1.00 20.44 WATR O HETATM 151 H1 HOH 0 53 -28.711 -27.639 208.223 1.00 0.00 WATR H HETATM 152 H2 HOH 0 53 -29.643 -26.368 208.477 1.00 0.00 WATR H HETATM 153 O HOH 0 55 -27.435 -25.319 209.733 1.00 34.79 WATR O HETATM 154 H1 HOH 0 55 -26.705 -25.244 209.079 1.00 0.00 WATR H HETATM 155 H2 HOH 0 55 -27.058 -25.714 210.553 1.00 0.00 WATR H HETATM 156 O HOH 0 76 -30.383 -30.802 202.040 1.00 23.89 WATR O HETATM 157 H1 HOH 0 76 -29.918 -30.208 201.383 1.00 0.00 WATR H HETATM 158 H2 HOH 0 76 -30.085 -30.379 202.912 1.00 0.00 WATR H HETATM 159 O HOH 0 77 -28.212 -38.766 202.157 1.00 27.39 WATR O HETATM 160 H1 HOH 0 77 -27.955 -39.351 201.422 1.00 0.00 WATR H HETATM 161 H2 HOH 0 77 -28.954 -39.191 202.630 1.00 0.00 WATR H HETATM 162 O HOH 0 78 -26.854 -36.767 200.298 1.00 26.05 WATR O HETATM 163 H1 HOH 0 78 -26.167 -37.341 200.707 1.00 0.00 WATR H HETATM 164 H2 HOH 0 78 -26.475 -35.861 200.317 1.00 0.00 WATR H HETATM 165 O HOH 0 81 -30.168 -24.293 211.879 1.00 35.82 WATR O HETATM 166 H1 HOH 0 81 -29.417 -23.656 211.669 1.00 0.00 WATR H HETATM 167 H2 HOH 0 81 -30.766 -23.907 212.543 1.00 0.00 WATR H HETATM 168 O HOH 0 124 -26.485 -34.014 198.814 1.00 29.00 WATR O HETATM 169 H1 HOH 0 124 -26.887 -34.624 198.150 1.00 0.00 WATR H HETATM 170 H2 HOH 0 124 -26.028 -33.263 198.378 1.00 0.00 WATR H HETATM 171 O HOH 0 125 -28.450 -31.799 199.263 1.00 22.35 WATR O HETATM 172 H1 HOH 0 125 -29.314 -31.967 198.848 1.00 0.00 WATR H HETATM 173 H2 HOH 0 125 -28.485 -30.875 199.679 1.00 0.00 WATR H HETATM 174 O HOH 0 478 -30.614 -24.933 209.283 1.00 48.29 WATR O HETATM 175 H1 HOH 0 478 -30.467 -24.746 210.243 1.00 0.00 WATR H HETATM 176 H2 HOH 0 478 -31.561 -25.121 209.204 1.00 0.00 WATR H HETATM 177 O HOH 0 539 -29.240 -29.701 204.081 1.00 24.55 WATR O HETATM 178 H1 HOH 0 539 -29.699 -29.206 204.816 1.00 0.00 WATR H HETATM 179 H2 HOH 0 539 -28.668 -30.376 204.501 1.00 0.00 WATR H HETATM 180 O HOH 0 651 -28.129 -22.992 210.905 1.00 35.35 WATR O HETATM 181 H1 HOH 0 651 -27.802 -23.820 210.443 1.00 0.00 WATR H HETATM 182 H2 HOH 0 651 -28.514 -22.446 210.190 1.00 0.00 WATR H ENDMDL MODEL 3 ATOM 1 N ASP A 61 -30.507 -26.372 200.038 1.00 21.15 ACHN N ATOM 2 CA ASP A 61 -30.263 -27.077 201.281 1.00 21.56 ACHN C ATOM 3 C ASP A 61 -31.172 -26.551 202.356 1.00 21.71 ACHN C ATOM 4 O ASP A 61 -31.219 -26.914 203.513 1.00 21.78 ACHN O ATOM 5 CB ASP A 61 -28.798 -27.291 201.680 1.00 21.80 ACHN C ATOM 6 CG ASP A 61 -28.128 -28.387 200.824 1.00 22.68 ACHN C ATOM 7 OD1 ASP A 61 -28.889 -29.251 200.263 1.00 23.26 ACHN O ATOM 8 OD2 ASP A 61 -26.891 -28.351 200.725 1.00 24.86 ACHN O1- ATOM 9 HN ASP A 61 -29.834 -25.633 199.834 1.00 0.00 ACHN H ATOM 10 HA ASP A 61 -30.598 -28.125 201.216 1.00 0.00 ACHN H ATOM 11 1HB ASP A 61 -28.213 -26.371 201.606 1.00 0.00 ACHN H ATOM 12 2HB ASP A 61 -28.769 -27.620 202.728 1.00 0.00 ACHN H ATOM 13 CB ASP A 170 -30.890 -36.083 198.796 1.00 21.68 ACHN C ATOM 14 CG ASP A 170 -30.114 -35.695 200.073 1.00 22.58 ACHN C ATOM 15 OD1 ASP A 170 -30.345 -36.426 201.074 1.00 23.88 ACHN O ATOM 16 OD2 ASP A 170 -29.233 -34.797 200.016 1.00 23.14 ACHN O1- ATOM 17 1HB ASP A 170 -31.938 -36.269 199.053 1.00 0.00 ACHN H ATOM 18 2HB ASP A 170 -30.474 -37.059 198.527 1.00 0.00 ACHN H ATOM 19 CB GLU A 189 -23.556 -40.559 202.381 1.00 21.61 ACHN C ATOM 20 CG GLU A 189 -23.311 -39.150 202.943 1.00 23.95 ACHN C ATOM 21 CD GLU A 189 -24.321 -38.088 202.547 1.00 24.58 ACHN C ATOM 22 OE1 GLU A 189 -25.322 -38.405 201.866 1.00 26.37 ACHN O ATOM 23 OE2 GLU A 189 -24.049 -36.918 202.963 1.00 25.15 ACHN O1- ATOM 24 1HB GLU A 189 -23.671 -40.539 201.292 1.00 0.00 ACHN H ATOM 25 2HB GLU A 189 -24.486 -40.967 202.789 1.00 0.00 ACHN H ATOM 26 1HG GLU A 189 -23.305 -39.172 204.038 1.00 0.00 ACHN H ATOM 27 2HG GLU A 189 -22.334 -38.737 202.676 1.00 0.00 ACHN H ATOM 28 ND1 HIS A 332 -21.331 -33.821 203.870 1.00 19.15 ACHN N ATOM 29 CG HIS A 332 -21.587 -33.430 202.573 1.00 20.35 ACHN C ATOM 30 CB HIS A 332 -20.645 -32.716 201.672 1.00 20.37 ACHN C ATOM 31 NE2 HIS A 332 -23.403 -34.377 203.467 1.00 20.03 ACHN N ATOM 32 CD2 HIS A 332 -22.890 -33.787 202.340 1.00 19.86 ACHN C ATOM 33 CE1 HIS A 332 -22.444 -34.370 204.378 1.00 22.82 ACHN C ATOM 34 HD1 HIS A 332 -20.471 -33.698 204.412 1.00 0.00 ACHN H ATOM 35 1HB HIS A 332 -21.184 -32.581 200.737 1.00 0.00 ACHN H ATOM 36 2HB HIS A 332 -19.775 -33.334 201.431 1.00 0.00 ACHN H ATOM 37 HD2 HIS A 332 -23.490 -33.637 201.455 1.00 0.00 ACHN H ATOM 38 HE1 HIS A 332 -22.529 -34.755 205.379 1.00 0.00 ACHN H ATOM 39 CB GLU A 333 -24.232 -29.591 202.849 1.00 21.00 ACHN C ATOM 40 CG GLU A 333 -24.592 -30.339 201.565 1.00 21.57 ACHN C ATOM 41 CD GLU A 333 -25.769 -31.293 201.672 1.00 21.75 ACHN C ATOM 42 OE1 GLU A 333 -26.148 -31.666 202.827 1.00 24.22 ACHN O ATOM 43 OE2 GLU A 333 -26.230 -31.710 200.575 1.00 22.07 ACHN O1- ATOM 44 1HB GLU A 333 -24.174 -30.302 203.668 1.00 0.00 ACHN H ATOM 45 2HB GLU A 333 -25.033 -28.885 203.089 1.00 0.00 ACHN H ATOM 46 1HG GLU A 333 -24.808 -29.657 200.740 1.00 0.00 ACHN H ATOM 47 2HG GLU A 333 -23.786 -31.006 201.230 1.00 0.00 ACHN H ATOM 48 N ASN A 335 -22.478 -25.631 205.856 1.00 20.40 ACHN N ATOM 49 CA ASN A 335 -23.305 -24.907 206.771 1.00 20.97 ACHN C ATOM 50 C ASN A 335 -24.666 -25.541 207.095 1.00 21.34 ACHN C ATOM 51 O ASN A 335 -25.556 -24.899 207.690 1.00 21.67 ACHN O ATOM 52 HN ASN A 335 -22.806 -25.702 204.895 1.00 0.00 ACHN H ATOM 53 HA ASN A 335 -22.843 -24.747 207.752 1.00 0.00 ACHN H ATOM 54 N ALA A 336 -24.821 -26.821 206.711 1.00 21.01 ACHN N ATOM 55 CA ALA A 336 -26.095 -27.453 206.904 1.00 21.41 ACHN C ATOM 56 C ALA A 336 -26.247 -28.408 208.047 1.00 21.66 ACHN C ATOM 57 O ALA A 336 -27.353 -28.800 208.373 1.00 21.57 ACHN O ATOM 58 HN ALA A 336 -24.053 -27.315 206.245 1.00 0.00 ACHN H ATOM 59 HA ALA A 336 -26.847 -26.675 207.049 1.00 0.00 ACHN H ATOM 60 CB ASN A 338 -27.104 -27.941 213.938 1.00 22.21 ACHN C ATOM 61 CG ASN A 338 -27.489 -26.759 213.044 1.00 22.29 ACHN C ATOM 62 OD1 ASN A 338 -26.684 -26.123 212.349 1.00 22.43 ACHN O ATOM 63 ND2 ASN A 338 -28.803 -26.464 213.102 1.00 20.65 ACHN N ATOM 64 1HB ASN A 338 -27.907 -28.684 213.936 1.00 0.00 ACHN H ATOM 65 2HB ASN A 338 -27.018 -27.568 214.968 1.00 0.00 ACHN H ATOM 66 1HD2 ASN A 338 -29.178 -25.639 212.627 1.00 0.00 ACHN H ATOM 67 2HD2 ASN A 338 -29.400 -26.893 213.803 1.00 0.00 ACHN H ATOM 68 CB ASP A 342 -24.414 -36.732 208.091 1.00 21.99 ACHN C ATOM 69 CG ASP A 342 -25.082 -36.181 206.815 1.00 22.35 ACHN C ATOM 70 OD1 ASP A 342 -26.321 -35.880 206.852 1.00 20.72 ACHN O ATOM 71 OD2 ASP A 342 -24.336 -36.027 205.812 1.00 23.49 ACHN O1- ATOM 72 1HB ASP A 342 -23.733 -35.948 208.442 1.00 0.00 ACHN H ATOM 73 2HB ASP A 342 -23.794 -37.585 207.817 1.00 0.00 ACHN H ATOM 74 CA ALA A 344 -30.000 -38.573 206.108 1.00 24.73 ACHN C ATOM 75 C ALA A 344 -29.494 -37.468 205.221 1.00 25.09 ACHN C ATOM 76 O ALA A 344 -29.000 -36.485 205.826 1.00 0.00 ACHN O ATOM 77 CB ALA A 344 -31.454 -38.241 206.405 1.00 24.24 ACHN C ATOM 78 OXT ALA A 344 -29.682 -37.560 203.969 1.00 0.00 ACHN O1- ATOM 79 HA ALA A 344 -29.846 -39.534 205.619 1.00 0.00 ACHN H ATOM 80 1HB ALA A 344 -31.935 -38.951 207.086 1.00 0.00 ACHN H ATOM 81 2HB ALA A 344 -31.486 -37.232 206.823 1.00 0.00 ACHN H ATOM 82 3HB ALA A 344 -32.012 -38.236 205.465 1.00 0.00 ACHN H TER 83 ALA A 344 ATOM 84 CB THR C 335 -27.875 -21.071 207.976 1.00 23.42 CCHN C ATOM 85 OG1 THR C 335 -29.035 -21.492 208.733 1.00 24.34 CCHN O ATOM 86 CG2 THR C 335 -26.869 -22.201 207.743 1.00 23.00 CCHN C ATOM 87 HB THR C 335 -28.237 -20.723 207.002 1.00 0.00 CCHN H ATOM 88 HG1 THR C 335 -29.340 -22.333 208.345 1.00 0.00 CCHN H ATOM 89 1HG2 THR C 335 -27.361 -23.118 207.418 1.00 0.00 CCHN H ATOM 90 2HG2 THR C 335 -26.171 -21.916 206.952 1.00 0.00 CCHN H ATOM 91 3HG2 THR C 335 -26.290 -22.510 208.616 1.00 0.00 CCHN H ATOM 92 N GLY C 338 -32.861 -20.828 213.331 1.00 22.70 CCHN N ATOM 93 CA GLY C 338 -32.579 -21.384 214.633 1.00 23.50 CCHN C ATOM 94 C GLY C 338 -31.967 -22.768 214.637 1.00 24.14 CCHN C ATOM 95 O GLY C 338 -32.166 -23.627 213.805 1.00 24.00 CCHN O ATOM 96 HN GLY C 338 -33.828 -20.743 213.019 1.00 0.00 CCHN H ATOM 97 1HA GLY C 338 -33.474 -21.361 215.256 1.00 0.00 CCHN H ATOM 98 2HA GLY C 338 -31.824 -20.760 215.107 1.00 0.00 CCHN H ATOM 99 CB GLU C 354 -29.950 -32.119 207.868 1.00 22.38 CCHN C ATOM 100 CG GLU C 354 -28.705 -31.537 207.154 1.00 21.52 CCHN C ATOM 101 CD GLU C 354 -28.193 -32.510 206.104 1.00 22.76 CCHN C ATOM 102 OE1 GLU C 354 -28.082 -33.726 206.481 1.00 22.57 CCHN O ATOM 103 OE2 GLU C 354 -27.918 -32.076 204.945 1.00 23.15 CCHN O1- ATOM 104 1HB GLU C 354 -29.667 -32.654 208.778 1.00 0.00 CCHN H ATOM 105 2HB GLU C 354 -30.425 -32.852 207.204 1.00 0.00 CCHN H ATOM 106 1HG GLU C 354 -28.901 -30.578 206.675 1.00 0.00 CCHN H ATOM 107 2HG GLU C 354 -27.903 -31.356 207.877 1.00 0.00 CCHN H ATOM 108 CB ARG C 357 -35.912 -33.034 205.116 1.00 22.16 CCHN C ATOM 109 CG ARG C 357 -35.230 -34.251 205.751 1.00 22.66 CCHN C ATOM 110 CD ARG C 357 -34.160 -34.865 204.862 1.00 23.36 CCHN C ATOM 111 NE ARG C 357 -33.069 -33.950 204.614 1.00 23.04 CCHN N ATOM 112 CZ ARG C 357 -31.852 -34.385 204.176 1.00 27.46 CCHN C ATOM 113 NH1 ARG C 357 -31.697 -35.691 203.941 1.00 26.40 CCHN N ATOM 114 NH2 ARG C 357 -30.865 -33.529 204.016 1.00 23.92 CCHN N1+ ATOM 115 1HB ARG C 357 -36.381 -33.318 204.167 1.00 0.00 CCHN H ATOM 116 2HB ARG C 357 -35.193 -32.253 204.893 1.00 0.00 CCHN H ATOM 117 1HG ARG C 357 -34.775 -33.998 206.714 1.00 0.00 CCHN H ATOM 118 2HG ARG C 357 -35.946 -35.058 205.926 1.00 0.00 CCHN H ATOM 119 1HD ARG C 357 -33.754 -35.735 205.379 1.00 0.00 CCHN H ATOM 120 2HD ARG C 357 -34.618 -35.230 203.930 1.00 0.00 CCHN H ATOM 121 HE ARG C 357 -33.317 -33.027 204.245 1.00 0.00 CCHN H ATOM 122 1HH1 ARG C 357 -30.791 -36.121 203.757 1.00 0.00 CCHN H ATOM 123 2HH1 ARG C 357 -32.494 -36.308 203.872 1.00 0.00 CCHN H ATOM 124 1HH2 ARG C 357 -29.883 -33.874 203.825 1.00 0.00 CCHN H ATOM 125 2HH2 ARG C 357 -30.963 -32.552 204.270 1.00 0.00 CCHN H TER 126 ARG C 357 ATOM 127 CB ASN D 350 -21.478 -26.285 210.870 1.00 22.37 DCHN C ATOM 128 CG ASN D 350 -21.818 -25.708 212.234 1.00 22.42 DCHN C ATOM 129 OD1 ASN D 350 -21.000 -25.012 212.846 1.00 23.27 DCHN O ATOM 130 ND2 ASN D 350 -23.063 -25.950 212.686 1.00 22.37 DCHN N ATOM 131 1HB ASN D 350 -21.251 -25.425 210.245 1.00 0.00 DCHN H ATOM 132 2HB ASN D 350 -22.286 -26.828 210.381 1.00 0.00 DCHN H ATOM 133 1HD2 ASN D 350 -23.394 -25.471 213.530 1.00 0.00 DCHN H ATOM 134 2HD2 ASN D 350 -23.681 -26.586 212.187 1.00 0.00 DCHN H TER 135 ASN D 350 HETATM 136 MN1 OEC 1 -25.131 -35.432 203.732 1.00 22.62 OECXMn2+ HETATM 137 MN2 OEC 1 -27.437 -35.205 205.317 1.00 22.88 OECXMn2+ HETATM 138 MN3 OEC 1 -27.284 -33.276 203.222 1.00 23.49 OECXMn2+ HETATM 139 MN4 OEC 1 -27.720 -33.209 200.369 1.00 26.26 OECXMn2+ HETATM 140 CA1 OEC 1 -28.195 -36.296 202.315 1.00 24.57 OECXCa2+ HETATM 141 O1 OEC 1 -26.618 -36.405 204.119 1.00 22.48 OECX O1- HETATM 142 O2 OEC 1 -28.451 -34.547 203.884 1.00 25.22 OECX O1- HETATM 143 O3 OEC 1 -25.993 -33.947 204.334 1.00 23.27 OECX O1- HETATM 144 O4 OEC 1 -28.704 -32.715 202.091 1.00 26.62 OECX O1- HETATM 145 O5 OEC 1 -26.713 -34.324 201.918 1.00 24.13 OECX O1- HETATM 146 HO4 OEC 1 -29.239 -31.890 202.087 1.00 0.00 OECX H HETATM 147 O HOH 0 49 -30.561 -28.301 205.791 1.00 24.15 WATR O HETATM 148 H1 HOH 0 49 -30.664 -27.626 205.103 1.00 0.00 WATR H HETATM 149 H2 HOH 0 49 -30.175 -27.844 206.584 1.00 0.00 WATR H HETATM 150 O HOH 0 53 -29.543 -27.154 207.979 1.00 20.44 WATR O HETATM 151 H1 HOH 0 53 -28.730 -27.632 208.235 1.00 0.00 WATR H HETATM 152 H2 HOH 0 53 -29.569 -26.298 208.453 1.00 0.00 WATR H HETATM 153 O HOH 0 55 -27.374 -25.231 209.804 1.00 34.79 WATR O HETATM 154 H1 HOH 0 55 -26.660 -25.199 209.128 1.00 0.00 WATR H HETATM 155 H2 HOH 0 55 -27.001 -25.648 210.613 1.00 0.00 WATR H HETATM 156 O HOH 0 76 -30.426 -30.750 201.723 1.00 23.89 WATR O HETATM 157 H1 HOH 0 76 -29.855 -30.148 201.185 1.00 0.00 WATR H HETATM 158 H2 HOH 0 76 -30.290 -30.449 202.662 1.00 0.00 WATR H HETATM 159 O HOH 0 77 -28.127 -38.763 202.202 1.00 27.39 WATR O HETATM 160 H1 HOH 0 77 -27.987 -39.349 201.438 1.00 0.00 WATR H HETATM 161 H2 HOH 0 77 -28.935 -39.052 202.673 1.00 0.00 WATR H HETATM 162 O HOH 0 78 -26.826 -36.719 200.357 1.00 26.05 WATR O HETATM 163 H1 HOH 0 78 -26.134 -37.248 200.829 1.00 0.00 WATR H HETATM 164 H2 HOH 0 78 -26.421 -35.854 200.164 1.00 0.00 WATR H HETATM 165 O HOH 0 81 -30.128 -24.252 211.910 1.00 35.82 WATR O HETATM 166 H1 HOH 0 81 -29.393 -23.598 211.695 1.00 0.00 WATR H HETATM 167 H2 HOH 0 81 -30.772 -23.854 212.519 1.00 0.00 WATR H HETATM 168 O HOH 0 124 -26.379 -34.088 198.812 1.00 29.00 WATR O HETATM 169 H1 HOH 0 124 -26.796 -34.638 198.110 1.00 0.00 WATR H HETATM 170 H2 HOH 0 124 -25.919 -33.316 198.417 1.00 0.00 WATR H HETATM 171 O HOH 0 125 -28.401 -31.592 198.954 1.00 22.35 WATR O HETATM 172 H1 HOH 0 125 -29.291 -31.696 198.573 1.00 0.00 WATR H HETATM 173 H2 HOH 0 125 -28.405 -30.718 199.441 1.00 0.00 WATR H HETATM 174 O HOH 0 478 -30.499 -24.786 209.278 1.00 48.29 WATR O HETATM 175 H1 HOH 0 478 -30.370 -24.671 210.251 1.00 0.00 WATR H HETATM 176 H2 HOH 0 478 -31.439 -24.994 209.172 1.00 0.00 WATR H HETATM 177 O HOH 0 539 -29.779 -30.296 204.213 1.00 24.55 WATR O HETATM 178 H1 HOH 0 539 -29.937 -29.575 204.874 1.00 0.00 WATR H HETATM 179 H2 HOH 0 539 -28.943 -30.763 204.437 1.00 0.00 WATR H HETATM 180 O HOH 0 651 -28.120 -22.919 210.929 1.00 35.35 WATR O HETATM 181 H1 HOH 0 651 -27.763 -23.746 210.484 1.00 0.00 WATR H HETATM 182 H2 HOH 0 651 -28.519 -22.399 210.202 1.00 0.00 WATR H ENDMDL MODEL 4 ATOM 1 N ASP A 61 -30.497 -26.377 200.034 1.00 21.15 ACHN N ATOM 2 CA ASP A 61 -30.260 -27.072 201.280 1.00 21.56 ACHN C ATOM 3 C ASP A 61 -31.170 -26.548 202.355 1.00 21.71 ACHN C ATOM 4 O ASP A 61 -31.221 -26.926 203.509 1.00 21.78 ACHN O ATOM 5 CB ASP A 61 -28.799 -27.304 201.677 1.00 21.80 ACHN C ATOM 6 CG ASP A 61 -28.180 -28.484 200.904 1.00 22.68 ACHN C ATOM 7 OD1 ASP A 61 -28.982 -29.396 200.464 1.00 23.26 ACHN O ATOM 8 OD2 ASP A 61 -26.949 -28.482 200.749 1.00 24.86 ACHN O1- ATOM 9 HN ASP A 61 -29.839 -25.624 199.834 1.00 0.00 ACHN H ATOM 10 HA ASP A 61 -30.606 -28.114 201.219 1.00 0.00 ACHN H ATOM 11 1HB ASP A 61 -28.191 -26.410 201.521 1.00 0.00 ACHN H ATOM 12 2HB ASP A 61 -28.756 -27.567 202.741 1.00 0.00 ACHN H ATOM 13 CB ASP A 170 -30.851 -36.050 198.828 1.00 21.68 ACHN C ATOM 14 CG ASP A 170 -30.066 -35.610 200.080 1.00 22.58 ACHN C ATOM 15 OD1 ASP A 170 -30.261 -36.284 201.124 1.00 23.88 ACHN O ATOM 16 OD2 ASP A 170 -29.180 -34.708 199.959 1.00 23.14 ACHN O1- ATOM 17 1HB ASP A 170 -31.891 -36.254 199.103 1.00 0.00 ACHN H ATOM 18 2HB ASP A 170 -30.414 -37.021 198.569 1.00 0.00 ACHN H ATOM 19 CB GLU A 189 -23.566 -40.576 202.348 1.00 21.61 ACHN C ATOM 20 CG GLU A 189 -23.352 -39.144 202.869 1.00 23.95 ACHN C ATOM 21 CD GLU A 189 -24.384 -38.082 202.516 1.00 24.58 ACHN C ATOM 22 OE1 GLU A 189 -25.423 -38.317 201.872 1.00 26.37 ACHN O ATOM 23 OE2 GLU A 189 -24.064 -36.917 202.970 1.00 25.15 ACHN O1- ATOM 24 1HB GLU A 189 -23.667 -40.595 201.257 1.00 0.00 ACHN H ATOM 25 2HB GLU A 189 -24.493 -40.990 202.761 1.00 0.00 ACHN H ATOM 26 1HG GLU A 189 -23.305 -39.146 203.964 1.00 0.00 ACHN H ATOM 27 2HG GLU A 189 -22.393 -38.716 202.566 1.00 0.00 ACHN H ATOM 28 ND1 HIS A 332 -21.327 -33.797 203.909 1.00 19.15 ACHN N ATOM 29 CG HIS A 332 -21.603 -33.423 202.610 1.00 20.35 ACHN C ATOM 30 CB HIS A 332 -20.662 -32.718 201.692 1.00 20.37 ACHN C ATOM 31 NE2 HIS A 332 -23.399 -34.373 203.551 1.00 20.03 ACHN N ATOM 32 CD2 HIS A 332 -22.905 -33.796 202.399 1.00 19.86 ACHN C ATOM 33 CE1 HIS A 332 -22.416 -34.351 204.445 1.00 22.82 ACHN C ATOM 34 HD1 HIS A 332 -20.452 -33.675 204.435 1.00 0.00 ACHN H ATOM 35 1HB HIS A 332 -21.202 -32.590 200.756 1.00 0.00 ACHN H ATOM 36 2HB HIS A 332 -19.799 -33.347 201.458 1.00 0.00 ACHN H ATOM 37 HD2 HIS A 332 -23.514 -33.677 201.516 1.00 0.00 ACHN H ATOM 38 HE1 HIS A 332 -22.470 -34.733 205.449 1.00 0.00 ACHN H ATOM 39 CB GLU A 333 -24.224 -29.601 202.869 1.00 21.00 ACHN C ATOM 40 CG GLU A 333 -24.583 -30.371 201.601 1.00 21.57 ACHN C ATOM 41 CD GLU A 333 -25.714 -31.364 201.731 1.00 21.75 ACHN C ATOM 42 OE1 GLU A 333 -26.052 -31.794 202.892 1.00 24.22 ACHN O ATOM 43 OE2 GLU A 333 -26.203 -31.779 200.647 1.00 22.07 ACHN O1- ATOM 44 1HB GLU A 333 -24.152 -30.295 203.700 1.00 0.00 ACHN H ATOM 45 2HB GLU A 333 -25.031 -28.897 203.098 1.00 0.00 ACHN H ATOM 46 1HG GLU A 333 -24.855 -29.707 200.780 1.00 0.00 ACHN H ATOM 47 2HG GLU A 333 -23.766 -31.010 201.240 1.00 0.00 ACHN H ATOM 48 N ASN A 335 -22.498 -25.647 205.887 1.00 20.40 ACHN N ATOM 49 CA ASN A 335 -23.299 -24.896 206.807 1.00 20.97 ACHN C ATOM 50 C ASN A 335 -24.640 -25.550 207.185 1.00 21.34 ACHN C ATOM 51 O ASN A 335 -25.487 -24.940 207.889 1.00 21.67 ACHN O ATOM 52 HN ASN A 335 -22.808 -25.666 204.917 1.00 0.00 ACHN H ATOM 53 HA ASN A 335 -22.814 -24.712 207.772 1.00 0.00 ACHN H ATOM 54 N ALA A 336 -24.831 -26.793 206.720 1.00 21.01 ACHN N ATOM 55 CA ALA A 336 -26.097 -27.445 206.905 1.00 21.41 ACHN C ATOM 56 C ALA A 336 -26.245 -28.413 208.042 1.00 21.66 ACHN C ATOM 57 O ALA A 336 -27.350 -28.825 208.354 1.00 21.57 ACHN O ATOM 58 HN ALA A 336 -24.060 -27.256 206.223 1.00 0.00 ACHN H ATOM 59 HA ALA A 336 -26.867 -26.684 207.051 1.00 0.00 ACHN H ATOM 60 CB ASN A 338 -27.105 -27.931 213.923 1.00 22.21 ACHN C ATOM 61 CG ASN A 338 -27.527 -26.803 212.985 1.00 22.29 ACHN C ATOM 62 OD1 ASN A 338 -26.750 -26.248 212.179 1.00 22.43 ACHN O ATOM 63 ND2 ASN A 338 -28.811 -26.444 213.116 1.00 20.65 ACHN N ATOM 64 1HB ASN A 338 -27.904 -28.678 213.970 1.00 0.00 ACHN H ATOM 65 2HB ASN A 338 -27.004 -27.513 214.932 1.00 0.00 ACHN H ATOM 66 1HD2 ASN A 338 -29.188 -25.632 212.617 1.00 0.00 ACHN H ATOM 67 2HD2 ASN A 338 -29.386 -26.823 213.866 1.00 0.00 ACHN H ATOM 68 CB ASP A 342 -24.422 -36.708 208.094 1.00 21.99 ACHN C ATOM 69 CG ASP A 342 -25.071 -36.162 206.815 1.00 22.35 ACHN C ATOM 70 OD1 ASP A 342 -26.296 -35.803 206.800 1.00 20.72 ACHN O ATOM 71 OD2 ASP A 342 -24.309 -36.058 205.808 1.00 23.49 ACHN O1- ATOM 72 1HB ASP A 342 -23.754 -35.917 208.455 1.00 0.00 ACHN H ATOM 73 2HB ASP A 342 -23.783 -37.548 207.825 1.00 0.00 ACHN H ATOM 74 CA ALA A 344 -29.945 -38.428 206.114 1.00 24.73 ACHN C ATOM 75 C ALA A 344 -29.333 -37.339 205.264 1.00 25.09 ACHN C ATOM 76 O ALA A 344 -28.676 -36.446 205.902 1.00 0.00 ACHN O ATOM 77 CB ALA A 344 -31.384 -38.065 206.423 1.00 24.24 ACHN C ATOM 78 OXT ALA A 344 -29.509 -37.391 204.022 1.00 0.00 ACHN O1- ATOM 79 HA ALA A 344 -29.850 -39.370 205.576 1.00 0.00 ACHN H ATOM 80 1HB ALA A 344 -31.865 -38.810 207.063 1.00 0.00 ACHN H ATOM 81 2HB ALA A 344 -31.410 -37.082 206.903 1.00 0.00 ACHN H ATOM 82 3HB ALA A 344 -31.954 -38.011 205.494 1.00 0.00 ACHN H TER 83 ALA A 344 ATOM 84 CB THR C 335 -27.866 -21.064 207.965 1.00 23.42 CCHN C ATOM 85 OG1 THR C 335 -29.005 -21.515 208.746 1.00 24.34 CCHN O ATOM 86 CG2 THR C 335 -26.855 -22.181 207.690 1.00 23.00 CCHN C ATOM 87 HB THR C 335 -28.261 -20.706 207.010 1.00 0.00 CCHN H ATOM 88 HG1 THR C 335 -29.444 -22.203 208.218 1.00 0.00 CCHN H ATOM 89 1HG2 THR C 335 -27.356 -23.113 207.420 1.00 0.00 CCHN H ATOM 90 2HG2 THR C 335 -26.221 -21.901 206.844 1.00 0.00 CCHN H ATOM 91 3HG2 THR C 335 -26.201 -22.449 208.523 1.00 0.00 CCHN H ATOM 92 N GLY C 338 -32.859 -20.826 213.334 1.00 22.70 CCHN N ATOM 93 CA GLY C 338 -32.579 -21.390 214.630 1.00 23.50 CCHN C ATOM 94 C GLY C 338 -31.954 -22.766 214.625 1.00 24.14 CCHN C ATOM 95 O GLY C 338 -32.119 -23.620 213.774 1.00 24.00 CCHN O ATOM 96 HN GLY C 338 -33.827 -20.732 213.025 1.00 0.00 CCHN H ATOM 97 1HA GLY C 338 -33.472 -21.374 215.256 1.00 0.00 CCHN H ATOM 98 2HA GLY C 338 -31.827 -20.767 215.111 1.00 0.00 CCHN H ATOM 99 CB GLU C 354 -29.945 -32.113 207.847 1.00 22.38 CCHN C ATOM 100 CG GLU C 354 -28.766 -31.540 207.019 1.00 21.52 CCHN C ATOM 101 CD GLU C 354 -28.247 -32.538 205.997 1.00 22.76 CCHN C ATOM 102 OE1 GLU C 354 -28.102 -33.750 206.372 1.00 22.57 CCHN O ATOM 103 OE2 GLU C 354 -27.985 -32.113 204.824 1.00 23.15 CCHN O1- ATOM 104 1HB GLU C 354 -29.589 -32.595 208.760 1.00 0.00 CCHN H ATOM 105 2HB GLU C 354 -30.442 -32.891 207.252 1.00 0.00 CCHN H ATOM 106 1HG GLU C 354 -29.031 -30.635 206.474 1.00 0.00 CCHN H ATOM 107 2HG GLU C 354 -27.933 -31.267 207.679 1.00 0.00 CCHN H ATOM 108 CB ARG C 357 -35.918 -33.039 205.115 1.00 22.16 CCHN C ATOM 109 CG ARG C 357 -35.169 -34.195 205.789 1.00 22.66 CCHN C ATOM 110 CD ARG C 357 -34.227 -34.938 204.856 1.00 23.36 CCHN C ATOM 111 NE ARG C 357 -33.181 -34.099 204.307 1.00 23.04 CCHN N ATOM 112 CZ ARG C 357 -32.025 -34.577 203.820 1.00 27.46 CCHN C ATOM 113 NH1 ARG C 357 -31.814 -35.891 203.815 1.00 26.40 CCHN N ATOM 114 NH2 ARG C 357 -31.100 -33.734 203.353 1.00 23.92 CCHN N1+ ATOM 115 1HB ARG C 357 -36.415 -33.393 204.204 1.00 0.00 CCHN H ATOM 116 2HB ARG C 357 -35.244 -32.241 204.822 1.00 0.00 CCHN H ATOM 117 1HG ARG C 357 -34.615 -33.862 206.670 1.00 0.00 CCHN H ATOM 118 2HG ARG C 357 -35.858 -34.972 206.122 1.00 0.00 CCHN H ATOM 119 1HD ARG C 357 -33.749 -35.737 205.424 1.00 0.00 CCHN H ATOM 120 2HD ARG C 357 -34.810 -35.406 204.057 1.00 0.00 CCHN H ATOM 121 HE ARG C 357 -33.414 -33.139 204.029 1.00 0.00 CCHN H ATOM 122 1HH1 ARG C 357 -30.919 -36.285 203.536 1.00 0.00 CCHN H ATOM 123 2HH1 ARG C 357 -32.590 -36.539 203.905 1.00 0.00 CCHN H ATOM 124 1HH2 ARG C 357 -30.119 -34.030 203.316 1.00 0.00 CCHN H ATOM 125 2HH2 ARG C 357 -31.255 -32.736 203.438 1.00 0.00 CCHN H TER 126 ARG C 357 ATOM 127 CB ASN D 350 -21.480 -26.287 210.862 1.00 22.37 DCHN C ATOM 128 CG ASN D 350 -21.825 -25.698 212.221 1.00 22.42 DCHN C ATOM 129 OD1 ASN D 350 -21.027 -24.970 212.813 1.00 23.27 DCHN O ATOM 130 ND2 ASN D 350 -23.064 -25.963 212.685 1.00 22.37 DCHN N ATOM 131 1HB ASN D 350 -21.252 -25.432 210.233 1.00 0.00 DCHN H ATOM 132 2HB ASN D 350 -22.286 -26.835 210.377 1.00 0.00 DCHN H ATOM 133 1HD2 ASN D 350 -23.387 -25.494 213.538 1.00 0.00 DCHN H ATOM 134 2HD2 ASN D 350 -23.648 -26.652 212.217 1.00 0.00 DCHN H TER 135 ASN D 350 HETATM 136 MN1 OEC 1 -25.021 -35.512 203.838 1.00 22.62 OECXMn2+ HETATM 137 MN2 OEC 1 -27.392 -35.191 205.201 1.00 22.88 OECXMn2+ HETATM 138 MN3 OEC 1 -27.319 -33.252 203.233 1.00 23.49 OECXMn2+ HETATM 139 MN4 OEC 1 -27.707 -33.228 200.565 1.00 26.26 OECXMn2+ HETATM 140 CA1 OEC 1 -28.044 -36.433 202.228 1.00 24.57 OECXCa2+ HETATM 141 O1 OEC 1 -26.592 -36.421 204.117 1.00 22.48 OECX O1- HETATM 142 O2 OEC 1 -28.453 -34.613 203.851 1.00 25.22 OECX O1- HETATM 143 O3 OEC 1 -26.112 -34.091 204.474 1.00 23.27 OECX O1- HETATM 144 O4 OEC 1 -28.535 -32.638 202.049 1.00 26.62 OECX O1- HETATM 145 O5 OEC 1 -26.770 -34.296 201.857 1.00 24.13 OECX O1- HETATM 146 O HOH 0 49 -30.580 -28.271 205.814 1.00 24.15 WATR O HETATM 147 H1 HOH 0 49 -30.816 -27.563 205.191 1.00 0.00 WATR H HETATM 148 H2 HOH 0 49 -29.963 -28.815 205.264 1.00 0.00 WATR H HETATM 149 O HOH 0 53 -29.503 -27.076 208.042 1.00 20.44 WATR O HETATM 150 H1 HOH 0 53 -28.749 -27.661 208.253 1.00 0.00 WATR H HETATM 151 H2 HOH 0 53 -29.912 -27.487 207.240 1.00 0.00 WATR H HETATM 152 O HOH 0 55 -27.165 -25.308 209.838 1.00 34.79 WATR O HETATM 153 H1 HOH 0 55 -26.428 -25.265 209.126 1.00 0.00 WATR H HETATM 154 H2 HOH 0 55 -26.905 -25.754 210.728 1.00 0.00 WATR H HETATM 155 O HOH 0 76 -30.488 -30.957 201.923 1.00 23.89 WATR O HETATM 156 H1 HOH 0 76 -29.992 -30.258 201.414 1.00 0.00 WATR H HETATM 157 H2 HOH 0 76 -29.817 -31.682 201.959 1.00 0.00 WATR H HETATM 158 O HOH 0 77 -28.142 -38.861 202.215 1.00 27.39 WATR O HETATM 159 H1 HOH 0 77 -27.929 -39.421 201.446 1.00 0.00 WATR H HETATM 160 H2 HOH 0 77 -28.927 -39.250 202.650 1.00 0.00 WATR H HETATM 161 O HOH 0 78 -27.258 -36.993 200.026 1.00 26.05 WATR O HETATM 162 H1 HOH 0 78 -26.395 -37.443 200.095 1.00 0.00 WATR H HETATM 163 H2 HOH 0 78 -27.249 -36.458 199.210 1.00 0.00 WATR H HETATM 164 O HOH 0 81 -30.109 -24.225 211.897 1.00 35.82 WATR O HETATM 165 H1 HOH 0 81 -30.488 -24.581 211.053 1.00 0.00 WATR H HETATM 166 H2 HOH 0 81 -30.834 -23.990 212.513 1.00 0.00 WATR H HETATM 167 O HOH 0 124 -26.549 -33.871 198.937 1.00 29.00 WATR O HETATM 168 H1 HOH 0 124 -26.977 -34.302 198.171 1.00 0.00 WATR H HETATM 169 H2 HOH 0 124 -26.015 -33.101 198.625 1.00 0.00 WATR H HETATM 170 O HOH 0 125 -28.531 -31.744 199.337 1.00 22.35 WATR O HETATM 171 H1 HOH 0 125 -29.390 -31.901 198.909 1.00 0.00 WATR H HETATM 172 H2 HOH 0 125 -28.559 -30.813 199.762 1.00 0.00 WATR H HETATM 173 O HOH 0 478 -30.724 -25.125 209.417 1.00 48.29 WATR O HETATM 174 H1 HOH 0 478 -30.175 -25.840 208.978 1.00 0.00 WATR H HETATM 175 H2 HOH 0 478 -31.611 -25.258 209.051 1.00 0.00 WATR H HETATM 176 O HOH 0 539 -29.159 -29.697 204.009 1.00 24.55 WATR O HETATM 177 H1 HOH 0 539 -29.765 -30.137 203.371 1.00 0.00 WATR H HETATM 178 H2 HOH 0 539 -28.534 -30.403 204.268 1.00 0.00 WATR H HETATM 179 O HOH 0 651 -28.017 -23.095 210.715 1.00 35.35 WATR O1+ HETATM 180 H1 HOH 0 651 -27.493 -24.349 210.113 1.00 0.00 WATR H HETATM 181 H2 HOH 0 651 -28.763 -23.373 211.309 1.00 0.00 WATR H HETATM 182 H HOH 0 651 -28.438 -22.525 210.028 1.00 0.00 H ENDMDL MODEL 5 ATOM 1 N ASP A 61 -30.502 -26.375 200.036 1.00 21.15 ACHN N ATOM 2 CA ASP A 61 -30.265 -27.076 201.280 1.00 21.56 ACHN C ATOM 3 C ASP A 61 -31.173 -26.552 202.354 1.00 21.71 ACHN C ATOM 4 O ASP A 61 -31.221 -26.919 203.512 1.00 21.78 ACHN O ATOM 5 CB ASP A 61 -28.803 -27.295 201.685 1.00 21.80 ACHN C ATOM 6 CG ASP A 61 -28.159 -28.443 200.876 1.00 22.68 ACHN C ATOM 7 OD1 ASP A 61 -28.933 -29.361 200.429 1.00 23.26 ACHN O ATOM 8 OD2 ASP A 61 -26.929 -28.382 200.706 1.00 24.86 ACHN O1- ATOM 9 HN ASP A 61 -29.835 -25.630 199.834 1.00 0.00 ACHN H ATOM 10 HA ASP A 61 -30.595 -28.124 201.211 1.00 0.00 ACHN H ATOM 11 1HB ASP A 61 -28.204 -26.389 201.564 1.00 0.00 ACHN H ATOM 12 2HB ASP A 61 -28.773 -27.574 202.747 1.00 0.00 ACHN H ATOM 13 CB ASP A 170 -30.892 -36.084 198.794 1.00 21.68 ACHN C ATOM 14 CG ASP A 170 -30.208 -35.647 200.102 1.00 22.58 ACHN C ATOM 15 OD1 ASP A 170 -30.484 -36.349 201.115 1.00 23.88 ACHN O ATOM 16 OD2 ASP A 170 -29.330 -34.743 200.070 1.00 23.14 ACHN O1- ATOM 17 1HB ASP A 170 -31.937 -36.340 198.993 1.00 0.00 ACHN H ATOM 18 2HB ASP A 170 -30.390 -37.025 198.546 1.00 0.00 ACHN H ATOM 19 CB GLU A 189 -23.557 -40.567 202.372 1.00 21.61 ACHN C ATOM 20 CG GLU A 189 -23.316 -39.146 202.906 1.00 23.95 ACHN C ATOM 21 CD GLU A 189 -24.374 -38.130 202.532 1.00 24.58 ACHN C ATOM 22 OE1 GLU A 189 -25.406 -38.491 201.930 1.00 26.37 ACHN O ATOM 23 OE2 GLU A 189 -24.113 -36.929 202.895 1.00 25.15 ACHN O1- ATOM 24 1HB GLU A 189 -23.675 -40.567 201.283 1.00 0.00 ACHN H ATOM 25 2HB GLU A 189 -24.484 -40.970 202.791 1.00 0.00 ACHN H ATOM 26 1HG GLU A 189 -23.270 -39.150 204.001 1.00 0.00 ACHN H ATOM 27 2HG GLU A 189 -22.361 -38.714 202.596 1.00 0.00 ACHN H ATOM 28 ND1 HIS A 332 -21.374 -33.817 203.901 1.00 19.15 ACHN N ATOM 29 CG HIS A 332 -21.631 -33.419 202.603 1.00 20.35 ACHN C ATOM 30 CB HIS A 332 -20.671 -32.718 201.700 1.00 20.37 ACHN C ATOM 31 NE2 HIS A 332 -23.447 -34.378 203.501 1.00 20.03 ACHN N ATOM 32 CD2 HIS A 332 -22.934 -33.780 202.370 1.00 19.86 ACHN C ATOM 33 CE1 HIS A 332 -22.479 -34.374 204.409 1.00 22.82 ACHN C ATOM 34 HD1 HIS A 332 -20.507 -33.702 204.437 1.00 0.00 ACHN H ATOM 35 1HB HIS A 332 -21.200 -32.589 200.757 1.00 0.00 ACHN H ATOM 36 2HB HIS A 332 -19.809 -33.353 201.474 1.00 0.00 ACHN H ATOM 37 HD2 HIS A 332 -23.535 -33.638 201.485 1.00 0.00 ACHN H ATOM 38 HE1 HIS A 332 -22.555 -34.769 205.406 1.00 0.00 ACHN H ATOM 39 CB GLU A 333 -24.225 -29.588 202.853 1.00 21.00 ACHN C ATOM 40 CG GLU A 333 -24.581 -30.307 201.558 1.00 21.57 ACHN C ATOM 41 CD GLU A 333 -25.684 -31.325 201.699 1.00 21.75 ACHN C ATOM 42 OE1 GLU A 333 -26.032 -31.687 202.872 1.00 24.22 ACHN O ATOM 43 OE2 GLU A 333 -26.123 -31.804 200.620 1.00 22.07 ACHN O1- ATOM 44 1HB GLU A 333 -24.153 -30.312 203.658 1.00 0.00 ACHN H ATOM 45 2HB GLU A 333 -25.029 -28.890 203.110 1.00 0.00 ACHN H ATOM 46 1HG GLU A 333 -24.881 -29.615 200.770 1.00 0.00 ACHN H ATOM 47 2HG GLU A 333 -23.761 -30.916 201.157 1.00 0.00 ACHN H ATOM 48 N ASN A 335 -22.494 -25.643 205.883 1.00 20.40 ACHN N ATOM 49 CA ASN A 335 -23.298 -24.897 206.804 1.00 20.97 ACHN C ATOM 50 C ASN A 335 -24.636 -25.553 207.186 1.00 21.34 ACHN C ATOM 51 O ASN A 335 -25.473 -24.941 207.906 1.00 21.67 ACHN O ATOM 52 HN ASN A 335 -22.810 -25.673 204.915 1.00 0.00 ACHN H ATOM 53 HA ASN A 335 -22.813 -24.712 207.770 1.00 0.00 ACHN H ATOM 54 N ALA A 336 -24.835 -26.790 206.717 1.00 21.01 ACHN N ATOM 55 CA ALA A 336 -26.102 -27.445 206.905 1.00 21.41 ACHN C ATOM 56 C ALA A 336 -26.246 -28.405 208.048 1.00 21.66 ACHN C ATOM 57 O ALA A 336 -27.352 -28.790 208.381 1.00 21.57 ACHN O ATOM 58 HN ALA A 336 -24.070 -27.254 206.210 1.00 0.00 ACHN H ATOM 59 HA ALA A 336 -26.874 -26.685 207.047 1.00 0.00 ACHN H ATOM 60 CB ASN A 338 -27.104 -27.932 213.924 1.00 22.21 ACHN C ATOM 61 CG ASN A 338 -27.516 -26.794 212.993 1.00 22.29 ACHN C ATOM 62 OD1 ASN A 338 -26.729 -26.220 212.212 1.00 22.43 ACHN O ATOM 63 ND2 ASN A 338 -28.806 -26.446 213.109 1.00 20.65 ACHN N ATOM 64 1HB ASN A 338 -27.904 -28.678 213.960 1.00 0.00 ACHN H ATOM 65 2HB ASN A 338 -27.008 -27.522 214.938 1.00 0.00 ACHN H ATOM 66 1HD2 ASN A 338 -29.188 -25.642 212.602 1.00 0.00 ACHN H ATOM 67 2HD2 ASN A 338 -29.391 -26.846 213.838 1.00 0.00 ACHN H ATOM 68 CB ASP A 342 -24.421 -36.725 208.085 1.00 21.99 ACHN C ATOM 69 CG ASP A 342 -25.079 -36.210 206.788 1.00 22.35 ACHN C ATOM 70 OD1 ASP A 342 -26.300 -35.851 206.797 1.00 20.72 ACHN O ATOM 71 OD2 ASP A 342 -24.333 -36.136 205.768 1.00 23.49 ACHN O1- ATOM 72 1HB ASP A 342 -23.760 -35.922 208.431 1.00 0.00 ACHN H ATOM 73 2HB ASP A 342 -23.777 -37.567 207.835 1.00 0.00 ACHN H ATOM 74 CA ALA A 344 -29.958 -38.459 206.119 1.00 24.73 ACHN C ATOM 75 C ALA A 344 -29.365 -37.358 205.278 1.00 25.09 ACHN C ATOM 76 O ALA A 344 -28.691 -36.483 205.913 1.00 0.00 ACHN O ATOM 77 CB ALA A 344 -31.399 -38.100 206.421 1.00 24.24 ACHN C ATOM 78 OXT ALA A 344 -29.605 -37.385 204.045 1.00 0.00 ACHN O1- ATOM 79 HA ALA A 344 -29.848 -39.399 205.580 1.00 0.00 ACHN H ATOM 80 1HB ALA A 344 -31.891 -38.849 207.048 1.00 0.00 ACHN H ATOM 81 2HB ALA A 344 -31.421 -37.122 206.912 1.00 0.00 ACHN H ATOM 82 3HB ALA A 344 -31.956 -38.022 205.485 1.00 0.00 ACHN H TER 83 ALA A 344 ATOM 84 CB THR C 335 -27.865 -21.066 207.966 1.00 23.42 CCHN C ATOM 85 OG1 THR C 335 -29.001 -21.519 208.748 1.00 24.34 CCHN O ATOM 86 CG2 THR C 335 -26.851 -22.179 207.689 1.00 23.00 CCHN C ATOM 87 HB THR C 335 -28.262 -20.708 207.010 1.00 0.00 CCHN H ATOM 88 HG1 THR C 335 -29.429 -22.221 208.229 1.00 0.00 CCHN H ATOM 89 1HG2 THR C 335 -27.348 -23.112 207.415 1.00 0.00 CCHN H ATOM 90 2HG2 THR C 335 -26.215 -21.896 206.846 1.00 0.00 CCHN H ATOM 91 3HG2 THR C 335 -26.199 -22.450 208.523 1.00 0.00 CCHN H ATOM 92 N GLY C 338 -32.859 -20.825 213.334 1.00 22.70 CCHN N ATOM 93 CA GLY C 338 -32.577 -21.389 214.630 1.00 23.50 CCHN C ATOM 94 C GLY C 338 -31.955 -22.767 214.626 1.00 24.14 CCHN C ATOM 95 O GLY C 338 -32.126 -23.623 213.780 1.00 24.00 CCHN O ATOM 96 HN GLY C 338 -33.827 -20.736 213.024 1.00 0.00 CCHN H ATOM 97 1HA GLY C 338 -33.470 -21.371 215.258 1.00 0.00 CCHN H ATOM 98 2HA GLY C 338 -31.824 -20.767 215.108 1.00 0.00 CCHN H ATOM 99 CB GLU C 354 -29.978 -32.165 207.931 1.00 22.38 CCHN C ATOM 100 CG GLU C 354 -28.648 -31.644 207.341 1.00 21.52 CCHN C ATOM 101 CD GLU C 354 -28.160 -32.548 206.224 1.00 22.76 CCHN C ATOM 102 OE1 GLU C 354 -28.082 -33.806 206.483 1.00 22.57 CCHN O ATOM 103 OE2 GLU C 354 -27.861 -32.033 205.117 1.00 23.15 CCHN O1- ATOM 104 1HB GLU C 354 -29.800 -32.731 208.850 1.00 0.00 CCHN H ATOM 105 2HB GLU C 354 -30.434 -32.861 207.216 1.00 0.00 CCHN H ATOM 106 1HG GLU C 354 -28.726 -30.635 206.938 1.00 0.00 CCHN H ATOM 107 2HG GLU C 354 -27.881 -31.605 208.121 1.00 0.00 CCHN H ATOM 108 CB ARG C 357 -35.920 -33.035 205.112 1.00 22.16 CCHN C ATOM 109 CG ARG C 357 -35.274 -34.279 205.730 1.00 22.66 CCHN C ATOM 110 CD ARG C 357 -34.178 -34.865 204.859 1.00 23.36 CCHN C ATOM 111 NE ARG C 357 -33.106 -33.916 204.653 1.00 23.04 CCHN N ATOM 112 CZ ARG C 357 -31.871 -34.312 204.261 1.00 27.46 CCHN C ATOM 113 NH1 ARG C 357 -31.667 -35.612 204.035 1.00 26.40 CCHN N ATOM 114 NH2 ARG C 357 -30.890 -33.434 204.147 1.00 23.92 CCHN N1+ ATOM 115 1HB ARG C 357 -36.383 -33.287 204.151 1.00 0.00 CCHN H ATOM 116 2HB ARG C 357 -35.182 -32.263 204.916 1.00 0.00 CCHN H ATOM 117 1HG ARG C 357 -34.849 -34.059 206.716 1.00 0.00 CCHN H ATOM 118 2HG ARG C 357 -36.002 -35.085 205.855 1.00 0.00 CCHN H ATOM 119 1HD ARG C 357 -33.765 -35.734 205.369 1.00 0.00 CCHN H ATOM 120 2HD ARG C 357 -34.603 -35.219 203.908 1.00 0.00 CCHN H ATOM 121 HE ARG C 357 -33.365 -32.996 204.283 1.00 0.00 CCHN H ATOM 122 1HH1 ARG C 357 -30.743 -35.989 203.843 1.00 0.00 CCHN H ATOM 123 2HH1 ARG C 357 -32.442 -36.235 203.855 1.00 0.00 CCHN H ATOM 124 1HH2 ARG C 357 -29.923 -33.790 203.977 1.00 0.00 CCHN H ATOM 125 2HH2 ARG C 357 -30.991 -32.461 204.422 1.00 0.00 CCHN H TER 126 ARG C 357 ATOM 127 CB ASN D 350 -21.479 -26.286 210.865 1.00 22.37 DCHN C ATOM 128 CG ASN D 350 -21.821 -25.703 212.226 1.00 22.42 DCHN C ATOM 129 OD1 ASN D 350 -21.021 -24.978 212.822 1.00 23.27 DCHN O ATOM 130 ND2 ASN D 350 -23.059 -25.969 212.690 1.00 22.37 DCHN N ATOM 131 1HB ASN D 350 -21.251 -25.429 210.238 1.00 0.00 DCHN H ATOM 132 2HB ASN D 350 -22.285 -26.833 210.379 1.00 0.00 DCHN H ATOM 133 1HD2 ASN D 350 -23.381 -25.505 213.546 1.00 0.00 DCHN H ATOM 134 2HD2 ASN D 350 -23.645 -26.655 212.220 1.00 0.00 DCHN H TER 135 ASN D 350 HETATM 136 MN1 OEC 1 -25.121 -35.513 203.755 1.00 22.62 OECXMn2+ HETATM 137 MN2 OEC 1 -27.428 -35.181 205.204 1.00 22.88 OECXMn2+ HETATM 138 MN3 OEC 1 -27.308 -33.151 203.265 1.00 23.49 OECXMn2+ HETATM 139 MN4 OEC 1 -27.592 -33.326 200.565 1.00 26.26 OECXMn2+ HETATM 140 CA1 OEC 1 -28.288 -36.285 202.245 1.00 24.57 OECXCa2+ HETATM 141 O1 OEC 1 -26.681 -36.418 204.067 1.00 22.48 OECX O1- HETATM 142 O2 OEC 1 -28.522 -34.591 203.934 1.00 25.22 OECX O1- HETATM 143 O3 OEC 1 -26.112 -34.115 204.492 1.00 23.27 OECX O1- HETATM 144 O4 OEC 1 -28.492 -32.640 202.026 1.00 26.62 OECX O1- HETATM 145 O5 OEC 1 -26.723 -34.476 201.651 1.00 24.13 OECX O1- HETATM 146 HO4 OEC 1 -29.802 -31.737 201.922 1.00 0.00 OECX H HETATM 147 O HOH 0 49 -30.542 -28.218 205.843 1.00 24.15 WATR O HETATM 148 H1 HOH 0 49 -30.659 -27.583 205.118 1.00 0.00 WATR H HETATM 149 H2 HOH 0 49 -29.894 -27.456 207.247 1.00 0.00 WATR H HETATM 150 O HOH 0 53 -29.495 -27.050 208.060 1.00 20.44 WATR O HETATM 151 H1 HOH 0 53 -28.749 -27.643 208.278 1.00 0.00 WATR H HETATM 152 H2 HOH 0 53 -30.158 -25.828 208.970 1.00 0.00 WATR H HETATM 153 O HOH 0 55 -27.131 -25.344 209.827 1.00 34.79 WATR O HETATM 154 H1 HOH 0 55 -26.399 -25.297 209.099 1.00 0.00 WATR H HETATM 155 H2 HOH 0 55 -26.860 -25.775 210.715 1.00 0.00 WATR H HETATM 156 O HOH 0 76 -30.443 -30.974 201.844 1.00 23.89 WATR O HETATM 157 H1 HOH 0 76 -29.897 -30.301 201.364 1.00 0.00 WATR H HETATM 158 H2 HOH 0 76 -30.028 -30.479 203.459 1.00 0.00 WATR H HETATM 159 O HOH 0 77 -28.241 -38.728 202.150 1.00 27.39 WATR O HETATM 160 H1 HOH 0 77 -27.965 -39.312 201.422 1.00 0.00 WATR H HETATM 161 H2 HOH 0 77 -28.980 -39.164 202.618 1.00 0.00 WATR H HETATM 162 O HOH 0 78 -26.865 -36.772 200.332 1.00 26.05 WATR O HETATM 163 H1 HOH 0 78 -26.224 -37.371 200.776 1.00 0.00 WATR H HETATM 164 H2 HOH 0 78 -26.485 -35.869 200.461 1.00 0.00 WATR H HETATM 165 O HOH 0 81 -30.110 -24.232 211.883 1.00 35.82 WATR O HETATM 166 H1 HOH 0 81 -28.746 -23.403 211.297 1.00 0.00 WATR H HETATM 167 H2 HOH 0 81 -30.838 -23.992 212.491 1.00 0.00 WATR H HETATM 168 O HOH 0 124 -26.536 -34.019 198.869 1.00 29.00 WATR O HETATM 169 H1 HOH 0 124 -26.936 -34.649 198.223 1.00 0.00 WATR H HETATM 170 H2 HOH 0 124 -26.116 -33.260 198.415 1.00 0.00 WATR H HETATM 171 O HOH 0 125 -28.431 -31.832 199.278 1.00 22.35 WATR O HETATM 172 H1 HOH 0 125 -29.338 -32.002 198.971 1.00 0.00 WATR H HETATM 173 H2 HOH 0 125 -28.442 -30.931 199.719 1.00 0.00 WATR H HETATM 174 O HOH 0 478 -30.713 -25.109 209.405 1.00 48.29 WATR O HETATM 175 H1 HOH 0 478 -30.482 -24.585 211.033 1.00 0.00 WATR H HETATM 176 H2 HOH 0 478 -31.601 -25.267 209.054 1.00 0.00 WATR H HETATM 177 O HOH 0 539 -29.789 -30.353 204.413 1.00 24.55 WATR O HETATM 178 H1 HOH 0 539 -30.147 -29.002 205.384 1.00 0.00 WATR H HETATM 179 H2 HOH 0 539 -28.936 -30.816 204.563 1.00 0.00 WATR H HETATM 180 O HOH 0 651 -28.000 -23.123 210.705 1.00 35.35 WATR O HETATM 181 H1 HOH 0 651 -27.467 -24.393 210.095 1.00 0.00 WATR H HETATM 182 H2 HOH 0 651 -28.425 -22.553 210.021 1.00 0.00 WATR H ENDMDL MODEL 6 ATOM 1 N ASP A 61 -30.511 -26.370 200.040 1.00 21.15 ACHN N ATOM 2 CA ASP A 61 -30.264 -27.069 201.288 1.00 21.56 ACHN C ATOM 3 C ASP A 61 -31.173 -26.551 202.358 1.00 21.71 ACHN C ATOM 4 O ASP A 61 -31.230 -26.913 203.517 1.00 21.78 ACHN O ATOM 5 CB ASP A 61 -28.800 -27.277 201.688 1.00 21.80 ACHN C ATOM 6 CG ASP A 61 -28.168 -28.406 200.850 1.00 22.68 ACHN C ATOM 7 OD1 ASP A 61 -28.964 -29.279 200.360 1.00 23.26 ACHN O ATOM 8 OD2 ASP A 61 -26.934 -28.374 200.700 1.00 24.86 ACHN O1- ATOM 9 HN ASP A 61 -29.831 -25.639 199.830 1.00 0.00 ACHN H ATOM 10 HA ASP A 61 -30.581 -28.122 201.219 1.00 0.00 ACHN H ATOM 11 1HB ASP A 61 -28.208 -26.365 201.581 1.00 0.00 ACHN H ATOM 12 2HB ASP A 61 -28.764 -27.596 202.738 1.00 0.00 ACHN H ATOM 13 CB ASP A 170 -30.890 -36.084 198.794 1.00 21.68 ACHN C ATOM 14 CG ASP A 170 -30.190 -35.658 200.103 1.00 22.58 ACHN C ATOM 15 OD1 ASP A 170 -30.468 -36.372 201.105 1.00 23.88 ACHN O ATOM 16 OD2 ASP A 170 -29.310 -34.759 200.071 1.00 23.14 ACHN O1- ATOM 17 1HB ASP A 170 -31.937 -36.329 199.002 1.00 0.00 ACHN H ATOM 18 2HB ASP A 170 -30.403 -37.032 198.542 1.00 0.00 ACHN H ATOM 19 CB GLU A 189 -23.556 -40.557 202.383 1.00 21.61 ACHN C ATOM 20 CG GLU A 189 -23.316 -39.138 202.929 1.00 23.95 ACHN C ATOM 21 CD GLU A 189 -24.355 -38.097 202.539 1.00 24.58 ACHN C ATOM 22 OE1 GLU A 189 -25.367 -38.460 201.892 1.00 26.37 ACHN O ATOM 23 OE2 GLU A 189 -24.105 -36.914 202.923 1.00 25.15 ACHN O1- ATOM 24 1HB GLU A 189 -23.678 -40.546 201.294 1.00 0.00 ACHN H ATOM 25 2HB GLU A 189 -24.484 -40.962 202.798 1.00 0.00 ACHN H ATOM 26 1HG GLU A 189 -23.289 -39.152 204.023 1.00 0.00 ACHN H ATOM 27 2HG GLU A 189 -22.350 -38.717 202.637 1.00 0.00 ACHN H ATOM 28 ND1 HIS A 332 -21.369 -33.835 203.860 1.00 19.15 ACHN N ATOM 29 CG HIS A 332 -21.609 -33.423 202.565 1.00 20.35 ACHN C ATOM 30 CB HIS A 332 -20.650 -32.716 201.676 1.00 20.37 ACHN C ATOM 31 NE2 HIS A 332 -23.448 -34.358 203.430 1.00 20.03 ACHN N ATOM 32 CD2 HIS A 332 -22.915 -33.759 202.316 1.00 19.86 ACHN C ATOM 33 CE1 HIS A 332 -22.496 -34.377 204.348 1.00 22.82 ACHN C ATOM 34 HD1 HIS A 332 -20.512 -33.725 204.409 1.00 0.00 ACHN H ATOM 35 1HB HIS A 332 -21.177 -32.580 200.734 1.00 0.00 ACHN H ATOM 36 2HB HIS A 332 -19.781 -33.339 201.446 1.00 0.00 ACHN H ATOM 37 HD2 HIS A 332 -23.506 -33.587 201.429 1.00 0.00 ACHN H ATOM 38 HE1 HIS A 332 -22.600 -34.774 205.343 1.00 0.00 ACHN H ATOM 39 CB GLU A 333 -24.224 -29.599 202.840 1.00 21.00 ACHN C ATOM 40 CG GLU A 333 -24.574 -30.306 201.532 1.00 21.57 ACHN C ATOM 41 CD GLU A 333 -25.675 -31.342 201.635 1.00 21.75 ACHN C ATOM 42 OE1 GLU A 333 -26.068 -31.701 202.780 1.00 24.22 ACHN O ATOM 43 OE2 GLU A 333 -26.054 -31.826 200.524 1.00 22.07 ACHN O1- ATOM 44 1HB GLU A 333 -24.151 -30.335 203.635 1.00 0.00 ACHN H ATOM 45 2HB GLU A 333 -25.034 -28.911 203.104 1.00 0.00 ACHN H ATOM 46 1HG GLU A 333 -24.870 -29.599 200.755 1.00 0.00 ACHN H ATOM 47 2HG GLU A 333 -23.748 -30.900 201.125 1.00 0.00 ACHN H ATOM 48 N ASN A 335 -22.490 -25.638 205.878 1.00 20.40 ACHN N ATOM 49 CA ASN A 335 -23.295 -24.898 206.802 1.00 20.97 ACHN C ATOM 50 C ASN A 335 -24.630 -25.557 207.187 1.00 21.34 ACHN C ATOM 51 O ASN A 335 -25.457 -24.942 207.921 1.00 21.67 ACHN O ATOM 52 HN ASN A 335 -22.811 -25.677 204.912 1.00 0.00 ACHN H ATOM 53 HA ASN A 335 -22.810 -24.712 207.767 1.00 0.00 ACHN H ATOM 54 N ALA A 336 -24.835 -26.786 206.711 1.00 21.01 ACHN N ATOM 55 CA ALA A 336 -26.102 -27.442 206.902 1.00 21.41 ACHN C ATOM 56 C ALA A 336 -26.246 -28.390 208.056 1.00 21.66 ACHN C ATOM 57 O ALA A 336 -27.354 -28.742 208.411 1.00 21.57 ACHN O ATOM 58 HN ALA A 336 -24.076 -27.251 206.195 1.00 0.00 ACHN H ATOM 59 HA ALA A 336 -26.875 -26.682 207.038 1.00 0.00 ACHN H ATOM 60 CB ASN A 338 -27.104 -27.932 213.922 1.00 22.21 ACHN C ATOM 61 CG ASN A 338 -27.507 -26.787 212.995 1.00 22.29 ACHN C ATOM 62 OD1 ASN A 338 -26.714 -26.204 212.227 1.00 22.43 ACHN O ATOM 63 ND2 ASN A 338 -28.798 -26.439 213.101 1.00 20.65 ACHN N ATOM 64 1HB ASN A 338 -27.905 -28.677 213.947 1.00 0.00 ACHN H ATOM 65 2HB ASN A 338 -27.014 -27.527 214.938 1.00 0.00 ACHN H ATOM 66 1HD2 ASN A 338 -29.175 -25.634 212.593 1.00 0.00 ACHN H ATOM 67 2HD2 ASN A 338 -29.393 -26.850 213.815 1.00 0.00 ACHN H ATOM 68 CB ASP A 342 -24.420 -36.730 208.087 1.00 21.99 ACHN C ATOM 69 CG ASP A 342 -25.100 -36.189 206.806 1.00 22.35 ACHN C ATOM 70 OD1 ASP A 342 -26.335 -35.881 206.853 1.00 20.72 ACHN O ATOM 71 OD2 ASP A 342 -24.356 -36.054 205.800 1.00 23.49 ACHN O1- ATOM 72 1HB ASP A 342 -23.745 -35.939 208.433 1.00 0.00 ACHN H ATOM 73 2HB ASP A 342 -23.795 -37.580 207.816 1.00 0.00 ACHN H ATOM 74 CA ALA A 344 -29.998 -38.578 206.112 1.00 24.73 ACHN C ATOM 75 C ALA A 344 -29.497 -37.470 205.224 1.00 25.09 ACHN C ATOM 76 O ALA A 344 -29.015 -36.478 205.823 1.00 0.00 ACHN O ATOM 77 CB ALA A 344 -31.455 -38.257 206.406 1.00 24.24 ACHN C ATOM 78 OXT ALA A 344 -29.688 -37.577 203.974 1.00 0.00 ACHN O1- ATOM 79 HA ALA A 344 -29.835 -39.537 205.623 1.00 0.00 ACHN H ATOM 80 1HB ALA A 344 -31.931 -38.960 207.098 1.00 0.00 ACHN H ATOM 81 2HB ALA A 344 -31.497 -37.241 206.805 1.00 0.00 ACHN H ATOM 82 3HB ALA A 344 -32.012 -38.271 205.466 1.00 0.00 ACHN H TER 83 ALA A 344 ATOM 84 CB THR C 335 -27.863 -21.066 207.964 1.00 23.42 CCHN C ATOM 85 OG1 THR C 335 -28.999 -21.522 208.746 1.00 24.34 CCHN O ATOM 86 CG2 THR C 335 -26.847 -22.179 207.688 1.00 23.00 CCHN C ATOM 87 HB THR C 335 -28.259 -20.709 207.009 1.00 0.00 CCHN H ATOM 88 HG1 THR C 335 -29.419 -22.231 208.230 1.00 0.00 CCHN H ATOM 89 1HG2 THR C 335 -27.343 -23.111 207.411 1.00 0.00 CCHN H ATOM 90 2HG2 THR C 335 -26.211 -21.894 206.845 1.00 0.00 CCHN H ATOM 91 3HG2 THR C 335 -26.196 -22.450 208.521 1.00 0.00 CCHN H ATOM 92 N GLY C 338 -32.859 -20.824 213.334 1.00 22.70 CCHN N ATOM 93 CA GLY C 338 -32.576 -21.389 214.630 1.00 23.50 CCHN C ATOM 94 C GLY C 338 -31.956 -22.768 214.626 1.00 24.14 CCHN C ATOM 95 O GLY C 338 -32.131 -23.622 213.781 1.00 24.00 CCHN O ATOM 96 HN GLY C 338 -33.826 -20.740 213.023 1.00 0.00 CCHN H ATOM 97 1HA GLY C 338 -33.469 -21.372 215.257 1.00 0.00 CCHN H ATOM 98 2HA GLY C 338 -31.823 -20.767 215.109 1.00 0.00 CCHN H ATOM 99 CB GLU C 354 -29.949 -32.113 207.859 1.00 22.38 CCHN C ATOM 100 CG GLU C 354 -28.718 -31.516 207.136 1.00 21.52 CCHN C ATOM 101 CD GLU C 354 -28.210 -32.480 206.073 1.00 22.76 CCHN C ATOM 102 OE1 GLU C 354 -28.108 -33.700 206.448 1.00 22.57 CCHN O ATOM 103 OE2 GLU C 354 -27.944 -32.029 204.926 1.00 23.15 CCHN O1- ATOM 104 1HB GLU C 354 -29.656 -32.652 208.764 1.00 0.00 CCHN H ATOM 105 2HB GLU C 354 -30.423 -32.847 207.195 1.00 0.00 CCHN H ATOM 106 1HG GLU C 354 -28.932 -30.563 206.650 1.00 0.00 CCHN H ATOM 107 2HG GLU C 354 -27.911 -31.329 207.851 1.00 0.00 CCHN H ATOM 108 CB ARG C 357 -35.915 -33.035 205.117 1.00 22.16 CCHN C ATOM 109 CG ARG C 357 -35.249 -34.262 205.748 1.00 22.66 CCHN C ATOM 110 CD ARG C 357 -34.197 -34.889 204.851 1.00 23.36 CCHN C ATOM 111 NE ARG C 357 -33.113 -33.982 204.562 1.00 23.04 CCHN N ATOM 112 CZ ARG C 357 -31.884 -34.433 204.170 1.00 27.46 CCHN C ATOM 113 NH1 ARG C 357 -31.718 -35.758 204.063 1.00 26.40 CCHN N ATOM 114 NH2 ARG C 357 -30.898 -33.593 203.960 1.00 23.92 CCHN N1+ ATOM 115 1HB ARG C 357 -36.382 -33.310 204.163 1.00 0.00 CCHN H ATOM 116 2HB ARG C 357 -35.184 -32.263 204.903 1.00 0.00 CCHN H ATOM 117 1HG ARG C 357 -34.783 -34.011 206.707 1.00 0.00 CCHN H ATOM 118 2HG ARG C 357 -35.973 -35.060 205.929 1.00 0.00 CCHN H ATOM 119 1HD ARG C 357 -33.780 -35.748 205.375 1.00 0.00 CCHN H ATOM 120 2HD ARG C 357 -34.675 -35.272 203.937 1.00 0.00 CCHN H ATOM 121 HE ARG C 357 -33.356 -33.072 204.160 1.00 0.00 CCHN H ATOM 122 1HH1 ARG C 357 -30.817 -36.166 203.819 1.00 0.00 CCHN H ATOM 123 2HH1 ARG C 357 -32.513 -36.364 203.907 1.00 0.00 CCHN H ATOM 124 1HH2 ARG C 357 -29.845 -33.943 203.845 1.00 0.00 CCHN H ATOM 125 2HH2 ARG C 357 -31.055 -32.606 204.117 1.00 0.00 CCHN H TER 126 ARG C 357 ATOM 127 CB ASN D 350 -21.478 -26.286 210.864 1.00 22.37 DCHN C ATOM 128 CG ASN D 350 -21.820 -25.702 212.225 1.00 22.42 DCHN C ATOM 129 OD1 ASN D 350 -21.020 -24.977 212.822 1.00 23.27 DCHN O ATOM 130 ND2 ASN D 350 -23.057 -25.969 212.689 1.00 22.37 DCHN N ATOM 131 1HB ASN D 350 -21.251 -25.430 210.236 1.00 0.00 DCHN H ATOM 132 2HB ASN D 350 -22.284 -26.834 210.378 1.00 0.00 DCHN H ATOM 133 1HD2 ASN D 350 -23.383 -25.502 213.541 1.00 0.00 DCHN H ATOM 134 2HD2 ASN D 350 -23.646 -26.651 212.213 1.00 0.00 DCHN H TER 135 ASN D 350 HETATM 136 MN1 OEC 1 -25.211 -35.393 203.680 1.00 22.62 OECXMn2+ HETATM 137 MN2 OEC 1 -27.462 -35.168 205.282 1.00 22.88 OECXMn2+ HETATM 138 MN3 OEC 1 -27.355 -33.231 203.150 1.00 23.49 OECXMn2+ HETATM 139 MN4 OEC 1 -27.711 -33.179 200.406 1.00 26.26 OECXMn2+ HETATM 140 CA1 OEC 1 -28.277 -36.265 202.309 1.00 24.57 OECXCa2+ HETATM 141 O1 OEC 1 -26.701 -36.387 204.116 1.00 22.48 OECX O1- HETATM 142 O2 OEC 1 -28.547 -34.493 203.831 1.00 25.22 OECX O1- HETATM 143 O3 OEC 1 -26.037 -33.958 204.363 1.00 23.27 OECX O1- HETATM 144 O4 OEC 1 -28.572 -32.510 202.113 1.00 26.62 OECX O1- HETATM 145 O5 OEC 1 -26.731 -34.367 201.910 1.00 24.13 OECX O1- HETATM 146 O HOH 0 49 -30.579 -28.262 205.822 1.00 24.15 WATR O HETATM 147 H1 HOH 0 49 -30.736 -27.573 205.154 1.00 0.00 WATR H HETATM 148 H2 HOH 0 49 -30.028 -28.906 205.293 1.00 0.00 WATR H HETATM 149 O HOH 0 53 -29.527 -27.071 208.023 1.00 20.44 WATR O HETATM 150 H1 HOH 0 53 -28.769 -27.649 208.241 1.00 0.00 WATR H HETATM 151 H2 HOH 0 53 -29.931 -27.494 207.217 1.00 0.00 WATR H HETATM 152 O HOH 0 55 -27.105 -25.351 209.819 1.00 34.79 WATR O HETATM 153 H1 HOH 0 55 -26.373 -25.302 209.077 1.00 0.00 WATR H HETATM 154 H2 HOH 0 55 -26.830 -25.784 210.700 1.00 0.00 WATR H HETATM 155 O HOH 0 76 -30.462 -30.907 201.869 1.00 23.89 WATR O HETATM 156 H1 HOH 0 76 -29.920 -30.287 201.329 1.00 0.00 WATR H HETATM 157 H2 HOH 0 76 -29.788 -31.665 202.021 1.00 0.00 WATR H HETATM 158 O HOH 0 77 -28.200 -38.715 202.141 1.00 27.39 WATR O HETATM 159 H1 HOH 0 77 -28.008 -39.337 201.418 1.00 0.00 WATR H HETATM 160 H2 HOH 0 77 -28.960 -39.049 202.657 1.00 0.00 WATR H HETATM 161 O HOH 0 78 -26.817 -36.694 200.403 1.00 26.05 WATR O HETATM 162 H1 HOH 0 78 -26.178 -37.268 200.897 1.00 0.00 WATR H HETATM 163 H2 HOH 0 78 -26.414 -35.802 200.395 1.00 0.00 WATR H HETATM 164 O HOH 0 81 -30.117 -24.247 211.852 1.00 35.82 WATR O HETATM 165 H1 HOH 0 81 -30.479 -24.614 211.001 1.00 0.00 WATR H HETATM 166 H2 HOH 0 81 -30.850 -24.021 212.458 1.00 0.00 WATR H HETATM 167 O HOH 0 124 -26.458 -34.119 198.795 1.00 29.00 WATR O HETATM 168 H1 HOH 0 124 -26.872 -34.772 198.178 1.00 0.00 WATR H HETATM 169 H2 HOH 0 124 -26.000 -33.433 198.273 1.00 0.00 WATR H HETATM 170 O HOH 0 125 -28.399 -31.551 198.981 1.00 22.35 WATR O HETATM 171 H1 HOH 0 125 -29.282 -31.696 198.596 1.00 0.00 WATR H HETATM 172 H2 HOH 0 125 -28.467 -30.702 199.511 1.00 0.00 WATR H HETATM 173 O HOH 0 478 -30.719 -25.146 209.389 1.00 48.29 WATR O HETATM 174 H1 HOH 0 478 -30.174 -25.869 208.939 1.00 0.00 WATR H HETATM 175 H2 HOH 0 478 -31.610 -25.288 209.035 1.00 0.00 WATR H HETATM 176 O HOH 0 539 -29.265 -29.760 204.074 1.00 24.55 WATR O HETATM 177 H1 HOH 0 539 -29.792 -30.144 203.328 1.00 0.00 WATR H HETATM 178 H2 HOH 0 539 -28.636 -30.479 204.316 1.00 0.00 WATR H HETATM 179 O HOH 0 651 -27.989 -23.121 210.711 1.00 35.35 WATR O1+ HETATM 180 H1 HOH 0 651 -27.438 -24.406 210.089 1.00 0.00 WATR H HETATM 181 H2 HOH 0 651 -28.741 -23.414 211.287 1.00 0.00 WATR H HETATM 182 H HOH 0 651 -28.411 -22.554 210.025 1.00 0.00 H ENDMDL MODEL 7 ATOM 1 CB ASP A 170 -30.692 -35.934 198.902 1.00 21.68 ACHN C ATOM 2 CG ASP A 170 -29.851 -35.323 200.044 1.00 22.58 ACHN C ATOM 3 OD1 ASP A 170 -30.008 -35.808 201.178 1.00 23.88 ACHN O ATOM 4 OD2 ASP A 170 -28.942 -34.467 199.717 1.00 23.14 ACHN O1- ATOM 5 1HB ASP A 170 -31.690 -36.171 199.281 1.00 0.00 ACHN H ATOM 6 2HB ASP A 170 -30.203 -36.887 198.675 1.00 0.00 ACHN H ATOM 7 CB GLU A 189 -23.576 -40.593 202.327 1.00 21.61 ACHN C ATOM 8 CG GLU A 189 -23.393 -39.154 202.838 1.00 23.95 ACHN C ATOM 9 CD GLU A 189 -24.427 -38.086 202.497 1.00 24.58 ACHN C ATOM 10 OE1 GLU A 189 -25.484 -38.278 201.866 1.00 26.37 ACHN O ATOM 11 OE2 GLU A 189 -24.073 -36.929 202.955 1.00 25.15 ACHN O1- ATOM 12 1HB GLU A 189 -23.660 -40.625 201.234 1.00 0.00 ACHN H ATOM 13 2HB GLU A 189 -24.503 -41.013 202.733 1.00 0.00 ACHN H ATOM 14 1HG GLU A 189 -23.353 -39.150 203.932 1.00 0.00 ACHN H ATOM 15 2HG GLU A 189 -22.436 -38.716 202.539 1.00 0.00 ACHN H ATOM 16 ND1 HIS A 332 -21.317 -33.788 203.914 1.00 19.15 ACHN N ATOM 17 CG HIS A 332 -21.593 -33.425 202.612 1.00 20.35 ACHN C ATOM 18 CB HIS A 332 -20.660 -32.718 201.690 1.00 20.37 ACHN C ATOM 19 NE2 HIS A 332 -23.379 -34.392 203.555 1.00 20.03 ACHN N ATOM 20 CD2 HIS A 332 -22.889 -33.816 202.400 1.00 19.86 ACHN C ATOM 21 CE1 HIS A 332 -22.397 -34.353 204.452 1.00 22.82 ACHN C ATOM 22 HD1 HIS A 332 -20.443 -33.655 204.441 1.00 0.00 ACHN H ATOM 23 1HB HIS A 332 -21.204 -32.589 200.756 1.00 0.00 ACHN H ATOM 24 2HB HIS A 332 -19.796 -33.345 201.453 1.00 0.00 ACHN H ATOM 25 HD2 HIS A 332 -23.496 -33.714 201.514 1.00 0.00 ACHN H ATOM 26 HE1 HIS A 332 -22.445 -34.730 205.458 1.00 0.00 ACHN H ATOM 27 CB GLU A 333 -24.235 -29.597 202.848 1.00 21.00 ACHN C ATOM 28 CG GLU A 333 -24.609 -30.388 201.583 1.00 21.57 ACHN C ATOM 29 CD GLU A 333 -25.752 -31.370 201.755 1.00 21.75 ACHN C ATOM 30 OE1 GLU A 333 -26.083 -31.777 202.902 1.00 24.22 ACHN O ATOM 31 OE2 GLU A 333 -26.279 -31.806 200.664 1.00 22.07 ACHN O1- ATOM 32 1HB GLU A 333 -24.176 -30.282 203.689 1.00 0.00 ACHN H ATOM 33 2HB GLU A 333 -25.032 -28.879 203.070 1.00 0.00 ACHN H ATOM 34 1HG GLU A 333 -24.853 -29.737 200.741 1.00 0.00 ACHN H ATOM 35 2HG GLU A 333 -23.798 -31.047 201.242 1.00 0.00 ACHN H ATOM 36 CB ASP A 342 -24.413 -36.718 208.098 1.00 21.99 ACHN C ATOM 37 CG ASP A 342 -25.049 -36.160 206.821 1.00 22.35 ACHN C ATOM 38 OD1 ASP A 342 -26.276 -35.793 206.813 1.00 20.72 ACHN O ATOM 39 OD2 ASP A 342 -24.291 -36.036 205.818 1.00 23.49 ACHN O1- ATOM 40 1HB ASP A 342 -23.736 -35.936 208.462 1.00 0.00 ACHN H ATOM 41 2HB ASP A 342 -23.784 -37.564 207.825 1.00 0.00 ACHN H ATOM 42 CA ALA A 344 -29.940 -38.418 206.110 1.00 24.73 ACHN C ATOM 43 C ALA A 344 -29.318 -37.319 205.277 1.00 25.09 ACHN C ATOM 44 O ALA A 344 -28.650 -36.446 205.933 1.00 0.00 ACHN O ATOM 45 CB ALA A 344 -31.380 -38.050 206.409 1.00 24.24 ACHN C ATOM 46 OXT ALA A 344 -29.502 -37.343 204.037 1.00 0.00 ACHN O1- ATOM 47 HA ALA A 344 -29.843 -39.351 205.554 1.00 0.00 ACHN H ATOM 48 1HB ALA A 344 -31.873 -38.801 207.032 1.00 0.00 ACHN H ATOM 49 2HB ALA A 344 -31.404 -37.077 206.909 1.00 0.00 ACHN H ATOM 50 3HB ALA A 344 -31.940 -37.971 205.475 1.00 0.00 ACHN H TER 51 ALA A 344 ATOM 52 CB THR C 335 -27.877 -21.063 207.969 1.00 23.42 CCHN C ATOM 53 OG1 THR C 335 -29.039 -21.481 208.721 1.00 24.34 CCHN O ATOM 54 CG2 THR C 335 -26.881 -22.200 207.736 1.00 23.00 CCHN C ATOM 55 HB THR C 335 -28.233 -20.710 206.995 1.00 0.00 CCHN H ATOM 56 HG1 THR C 335 -29.416 -22.247 208.256 1.00 0.00 CCHN H ATOM 57 1HG2 THR C 335 -27.399 -23.113 207.433 1.00 0.00 CCHN H ATOM 58 2HG2 THR C 335 -26.195 -21.930 206.929 1.00 0.00 CCHN H ATOM 59 3HG2 THR C 335 -26.293 -22.490 208.610 1.00 0.00 CCHN H ATOM 60 CB GLU C 354 -29.949 -32.122 207.857 1.00 22.38 CCHN C ATOM 61 CG GLU C 354 -28.717 -31.572 207.087 1.00 21.52 CCHN C ATOM 62 CD GLU C 354 -28.216 -32.561 206.042 1.00 22.76 CCHN C ATOM 63 OE1 GLU C 354 -28.080 -33.778 206.409 1.00 22.57 CCHN O ATOM 64 OE2 GLU C 354 -27.950 -32.147 204.866 1.00 23.15 CCHN O1- ATOM 65 1HB GLU C 354 -29.637 -32.628 208.775 1.00 0.00 CCHN H ATOM 66 2HB GLU C 354 -30.443 -32.877 207.230 1.00 0.00 CCHN H ATOM 67 1HG GLU C 354 -28.915 -30.622 206.592 1.00 0.00 CCHN H ATOM 68 2HG GLU C 354 -27.890 -31.387 207.784 1.00 0.00 CCHN H ATOM 69 CB ARG C 357 -35.917 -33.037 205.115 1.00 22.16 CCHN C ATOM 70 CG ARG C 357 -35.220 -34.237 205.769 1.00 22.66 CCHN C ATOM 71 CD ARG C 357 -34.176 -34.884 204.875 1.00 23.36 CCHN C ATOM 72 NE ARG C 357 -33.088 -33.976 204.555 1.00 23.04 CCHN N ATOM 73 CZ ARG C 357 -31.925 -34.399 204.029 1.00 27.46 CCHN C ATOM 74 NH1 ARG C 357 -31.751 -35.702 203.793 1.00 26.40 CCHN N ATOM 75 NH2 ARG C 357 -30.959 -33.524 203.748 1.00 23.92 CCHN N1+ ATOM 76 1HB ARG C 357 -36.399 -33.350 204.183 1.00 0.00 CCHN H ATOM 77 2HB ARG C 357 -35.213 -32.248 204.869 1.00 0.00 CCHN H ATOM 78 1HG ARG C 357 -34.750 -33.967 206.721 1.00 0.00 CCHN H ATOM 79 2HG ARG C 357 -35.931 -35.039 205.972 1.00 0.00 CCHN H ATOM 80 1HD ARG C 357 -33.753 -35.738 205.406 1.00 0.00 CCHN H ATOM 81 2HD ARG C 357 -34.655 -35.264 203.964 1.00 0.00 CCHN H ATOM 82 HE ARG C 357 -33.348 -33.026 204.272 1.00 0.00 CCHN H ATOM 83 1HH1 ARG C 357 -30.834 -36.091 203.591 1.00 0.00 CCHN H ATOM 84 2HH1 ARG C 357 -32.528 -36.349 203.849 1.00 0.00 CCHN H ATOM 85 1HH2 ARG C 357 -30.017 -33.882 203.563 1.00 0.00 CCHN H ATOM 86 2HH2 ARG C 357 -31.007 -32.567 204.089 1.00 0.00 CCHN H TER 87 ARG C 357 HETATM 88 MN1 OEC 1 -24.988 -35.527 203.839 1.00 22.62 OECXMn2+ HETATM 89 MN2 OEC 1 -27.355 -35.217 205.255 1.00 22.88 OECXMn2+ HETATM 90 MN3 OEC 1 -27.261 -33.336 203.272 1.00 23.49 OECXMn2+ HETATM 91 MN4 OEC 1 -27.599 -33.200 200.435 1.00 26.26 OECXMn2+ HETATM 92 CA1 OEC 1 -27.919 -36.465 202.259 1.00 24.57 OECXCa2+ HETATM 93 O1 OEC 1 -26.556 -36.431 204.163 1.00 22.48 OECX O1- HETATM 94 O2 OEC 1 -28.402 -34.640 203.868 1.00 25.22 OECX O1- HETATM 95 O3 OEC 1 -26.101 -34.086 204.492 1.00 23.27 OECX O1- HETATM 96 O4 OEC 1 -28.550 -32.734 201.936 1.00 26.62 OECX O1- HETATM 97 O5 OEC 1 -26.639 -34.342 201.963 1.00 24.13 OECX O1- HETATM 98 HO4 OEC 1 -29.222 -31.941 201.844 1.00 0.00 OECX H HETATM 99 O HOH 0 49 -30.525 -28.390 205.697 1.00 24.15 WATR O HETATM 100 H1 HOH 0 49 -30.563 -27.663 205.041 1.00 0.00 WATR H HETATM 101 H2 HOH 0 49 -30.200 -27.962 206.545 1.00 0.00 WATR H HETATM 102 O HOH 0 53 -29.722 -27.198 207.887 1.00 20.44 WATR O HETATM 103 H1 HOH 0 53 -28.887 -27.500 208.297 1.00 0.00 WATR H HETATM 104 H2 HOH 0 53 -30.030 -26.400 208.382 1.00 0.00 WATR H HETATM 105 O HOH 0 55 -27.343 -25.266 209.912 1.00 34.79 WATR O HETATM 106 H1 HOH 0 55 -26.594 -25.181 209.281 1.00 0.00 WATR H HETATM 107 H2 HOH 0 55 -26.942 -25.671 210.715 1.00 0.00 WATR H HETATM 108 O HOH 0 76 -30.213 -30.865 201.668 1.00 23.89 WATR O HETATM 109 H1 HOH 0 76 -29.688 -30.198 201.134 1.00 0.00 WATR H HETATM 110 H2 HOH 0 76 -30.144 -30.529 202.624 1.00 0.00 WATR H HETATM 111 O HOH 0 77 -28.268 -38.807 202.136 1.00 27.39 WATR O HETATM 112 H1 HOH 0 77 -27.871 -39.429 201.502 1.00 0.00 WATR H HETATM 113 H2 HOH 0 77 -28.943 -39.300 202.647 1.00 0.00 WATR H HETATM 114 O HOH 0 78 -27.261 -36.963 199.990 1.00 26.05 WATR O HETATM 115 H1 HOH 0 78 -26.426 -37.467 200.031 1.00 0.00 WATR H HETATM 116 H2 HOH 0 78 -27.268 -36.481 199.141 1.00 0.00 WATR H HETATM 117 O HOH 0 81 -30.259 -24.272 211.622 1.00 35.82 WATR O HETATM 118 H1 HOH 0 81 -29.524 -23.601 211.514 1.00 0.00 WATR H HETATM 119 H2 HOH 0 81 -30.897 -23.939 212.285 1.00 0.00 WATR H HETATM 120 O HOH 0 124 -26.420 -33.846 198.877 1.00 29.00 WATR O HETATM 121 H1 HOH 0 124 -26.877 -34.292 198.135 1.00 0.00 WATR H HETATM 122 H2 HOH 0 124 -25.876 -33.091 198.527 1.00 0.00 WATR H HETATM 123 O HOH 0 125 -28.381 -31.620 199.006 1.00 22.35 WATR O HETATM 124 H1 HOH 0 125 -29.226 -31.751 198.536 1.00 0.00 WATR H HETATM 125 H2 HOH 0 125 -28.402 -30.695 199.383 1.00 0.00 WATR H HETATM 126 O HOH 0 478 -30.792 -25.053 209.182 1.00 48.29 WATR O HETATM 127 H1 HOH 0 478 -30.584 -24.784 210.123 1.00 0.00 WATR H HETATM 128 H2 HOH 0 478 -31.758 -25.062 209.128 1.00 0.00 WATR H HETATM 129 O HOH 0 539 -29.845 -30.406 204.151 1.00 24.55 WATR O HETATM 130 H1 HOH 0 539 -30.026 -29.640 204.775 1.00 0.00 WATR H HETATM 131 H2 HOH 0 539 -28.974 -30.786 204.383 1.00 0.00 WATR H HETATM 132 O HOH 0 651 -28.159 -22.885 210.918 1.00 35.35 WATR O HETATM 133 H1 HOH 0 651 -27.784 -23.714 210.515 1.00 0.00 WATR H HETATM 134 H2 HOH 0 651 -28.532 -22.378 210.167 1.00 0.00 WATR H ENDMDL MODEL 8 ATOM 1 CB ASP A 170 -30.857 -36.058 198.817 1.00 21.68 ACHN C ATOM 2 CG ASP A 170 -30.088 -35.601 200.070 1.00 22.58 ACHN C ATOM 3 OD1 ASP A 170 -30.324 -36.250 201.123 1.00 23.88 ACHN O ATOM 4 OD2 ASP A 170 -29.190 -34.719 199.943 1.00 23.14 ACHN O1- ATOM 5 1HB ASP A 170 -31.897 -36.276 199.081 1.00 0.00 ACHN H ATOM 6 2HB ASP A 170 -30.399 -37.019 198.562 1.00 0.00 ACHN H ATOM 7 CB GLU A 189 -23.558 -40.566 202.371 1.00 21.61 ACHN C ATOM 8 CG GLU A 189 -23.316 -39.147 202.909 1.00 23.95 ACHN C ATOM 9 CD GLU A 189 -24.355 -38.111 202.538 1.00 24.58 ACHN C ATOM 10 OE1 GLU A 189 -25.386 -38.431 201.912 1.00 26.37 ACHN O ATOM 11 OE2 GLU A 189 -24.077 -36.922 202.930 1.00 25.15 ACHN O1- ATOM 12 1HB GLU A 189 -23.672 -40.567 201.281 1.00 0.00 ACHN H ATOM 13 2HB GLU A 189 -24.485 -40.972 202.789 1.00 0.00 ACHN H ATOM 14 1HG GLU A 189 -23.272 -39.154 204.003 1.00 0.00 ACHN H ATOM 15 2HG GLU A 189 -22.356 -38.720 202.605 1.00 0.00 ACHN H ATOM 16 ND1 HIS A 332 -21.334 -33.796 203.907 1.00 19.15 ACHN N ATOM 17 CG HIS A 332 -21.604 -33.422 202.607 1.00 20.35 ACHN C ATOM 18 CB HIS A 332 -20.662 -32.717 201.691 1.00 20.37 ACHN C ATOM 19 NE2 HIS A 332 -23.401 -34.382 203.535 1.00 20.03 ACHN N ATOM 20 CD2 HIS A 332 -22.903 -33.801 202.388 1.00 19.86 ACHN C ATOM 21 CE1 HIS A 332 -22.425 -34.355 204.436 1.00 22.82 ACHN C ATOM 22 HD1 HIS A 332 -20.464 -33.666 204.438 1.00 0.00 ACHN H ATOM 23 1HB HIS A 332 -21.203 -32.587 200.756 1.00 0.00 ACHN H ATOM 24 2HB HIS A 332 -19.799 -33.345 201.456 1.00 0.00 ACHN H ATOM 25 HD2 HIS A 332 -23.510 -33.680 201.504 1.00 0.00 ACHN H ATOM 26 HE1 HIS A 332 -22.485 -34.734 205.440 1.00 0.00 ACHN H ATOM 27 CB GLU A 333 -24.234 -29.584 202.854 1.00 21.00 ACHN C ATOM 28 CG GLU A 333 -24.591 -30.357 201.583 1.00 21.57 ACHN C ATOM 29 CD GLU A 333 -25.759 -31.308 201.715 1.00 21.75 ACHN C ATOM 30 OE1 GLU A 333 -26.137 -31.659 202.887 1.00 24.22 ACHN O ATOM 31 OE2 GLU A 333 -26.242 -31.762 200.643 1.00 22.07 ACHN O1- ATOM 32 1HB GLU A 333 -24.182 -30.275 203.690 1.00 0.00 ACHN H ATOM 33 2HB GLU A 333 -25.030 -28.866 203.077 1.00 0.00 ACHN H ATOM 34 1HG GLU A 333 -24.799 -29.698 200.737 1.00 0.00 ACHN H ATOM 35 2HG GLU A 333 -23.787 -31.031 201.257 1.00 0.00 ACHN H ATOM 36 CB ASP A 342 -24.406 -36.730 208.097 1.00 21.99 ACHN C ATOM 37 CG ASP A 342 -25.045 -36.184 206.812 1.00 22.35 ACHN C ATOM 38 OD1 ASP A 342 -26.259 -35.803 206.812 1.00 20.72 ACHN O ATOM 39 OD2 ASP A 342 -24.292 -36.104 205.796 1.00 23.49 ACHN O1- ATOM 40 1HB ASP A 342 -23.730 -35.946 208.458 1.00 0.00 ACHN H ATOM 41 2HB ASP A 342 -23.778 -37.581 207.837 1.00 0.00 ACHN H ATOM 42 CA ALA A 344 -29.943 -38.412 206.118 1.00 24.73 ACHN C ATOM 43 C ALA A 344 -29.328 -37.301 205.297 1.00 25.09 ACHN C ATOM 44 O ALA A 344 -28.642 -36.443 205.944 1.00 0.00 ACHN O ATOM 45 CB ALA A 344 -31.384 -38.052 206.412 1.00 24.24 ACHN C ATOM 46 OXT ALA A 344 -29.555 -37.311 204.061 1.00 0.00 ACHN O1- ATOM 47 HA ALA A 344 -29.840 -39.345 205.563 1.00 0.00 ACHN H ATOM 48 1HB ALA A 344 -31.879 -38.811 207.026 1.00 0.00 ACHN H ATOM 49 2HB ALA A 344 -31.410 -37.082 206.919 1.00 0.00 ACHN H ATOM 50 3HB ALA A 344 -31.937 -37.964 205.474 1.00 0.00 ACHN H TER 51 ALA A 344 ATOM 52 CB THR C 335 -27.877 -21.064 207.969 1.00 23.42 CCHN C ATOM 53 OG1 THR C 335 -29.044 -21.480 208.716 1.00 24.34 CCHN O ATOM 54 CG2 THR C 335 -26.881 -22.202 207.740 1.00 23.00 CCHN C ATOM 55 HB THR C 335 -28.229 -20.713 206.993 1.00 0.00 CCHN H ATOM 56 HG1 THR C 335 -29.410 -22.258 208.263 1.00 0.00 CCHN H ATOM 57 1HG2 THR C 335 -27.397 -23.115 207.435 1.00 0.00 CCHN H ATOM 58 2HG2 THR C 335 -26.192 -21.933 206.936 1.00 0.00 CCHN H ATOM 59 3HG2 THR C 335 -26.297 -22.492 208.617 1.00 0.00 CCHN H ATOM 60 CB GLU C 354 -29.973 -32.158 207.930 1.00 22.38 CCHN C ATOM 61 CG GLU C 354 -28.650 -31.617 207.345 1.00 21.52 CCHN C ATOM 62 CD GLU C 354 -28.149 -32.514 206.233 1.00 22.76 CCHN C ATOM 63 OE1 GLU C 354 -28.039 -33.769 206.489 1.00 22.57 CCHN O ATOM 64 OE2 GLU C 354 -27.867 -31.997 205.119 1.00 23.15 CCHN O1- ATOM 65 1HB GLU C 354 -29.789 -32.723 208.848 1.00 0.00 CCHN H ATOM 66 2HB GLU C 354 -30.424 -32.856 207.212 1.00 0.00 CCHN H ATOM 67 1HG GLU C 354 -28.744 -30.609 206.937 1.00 0.00 CCHN H ATOM 68 2HG GLU C 354 -27.883 -31.565 208.125 1.00 0.00 CCHN H ATOM 69 CB ARG C 357 -35.915 -33.036 205.117 1.00 22.16 CCHN C ATOM 70 CG ARG C 357 -35.247 -34.259 205.758 1.00 22.66 CCHN C ATOM 71 CD ARG C 357 -34.161 -34.862 204.887 1.00 23.36 CCHN C ATOM 72 NE ARG C 357 -33.087 -33.919 204.650 1.00 23.04 CCHN N ATOM 73 CZ ARG C 357 -31.891 -34.312 204.153 1.00 27.46 CCHN C ATOM 74 NH1 ARG C 357 -31.701 -35.606 203.892 1.00 26.40 CCHN N ATOM 75 NH2 ARG C 357 -30.935 -33.419 203.945 1.00 23.92 CCHN N1+ ATOM 76 1HB ARG C 357 -36.382 -33.317 204.166 1.00 0.00 CCHN H ATOM 77 2HB ARG C 357 -35.193 -32.256 204.898 1.00 0.00 CCHN H ATOM 78 1HG ARG C 357 -34.814 -34.013 206.733 1.00 0.00 CCHN H ATOM 79 2HG ARG C 357 -35.966 -35.067 205.910 1.00 0.00 CCHN H ATOM 80 1HD ARG C 357 -33.745 -35.726 205.407 1.00 0.00 CCHN H ATOM 81 2HD ARG C 357 -34.596 -35.227 203.946 1.00 0.00 CCHN H ATOM 82 HE ARG C 357 -33.362 -32.990 204.322 1.00 0.00 CCHN H ATOM 83 1HH1 ARG C 357 -30.782 -35.997 203.704 1.00 0.00 CCHN H ATOM 84 2HH1 ARG C 357 -32.479 -36.252 203.858 1.00 0.00 CCHN H ATOM 85 1HH2 ARG C 357 -29.994 -33.744 203.692 1.00 0.00 CCHN H ATOM 86 2HH2 ARG C 357 -31.002 -32.454 204.262 1.00 0.00 CCHN H TER 87 ARG C 357 HETATM 88 MN1 OEC 1 -25.040 -35.514 203.825 1.00 22.62 OECXMn2+ HETATM 89 MN2 OEC 1 -27.369 -35.152 205.235 1.00 22.88 OECXMn2+ HETATM 90 MN3 OEC 1 -27.340 -33.117 203.327 1.00 23.49 OECXMn2+ HETATM 91 MN4 OEC 1 -27.598 -33.340 200.491 1.00 26.26 OECXMn2+ HETATM 92 CA1 OEC 1 -28.170 -36.304 202.275 1.00 24.57 OECXCa2+ HETATM 93 O1 OEC 1 -26.617 -36.401 204.112 1.00 22.48 OECX O1- HETATM 94 O2 OEC 1 -28.444 -34.546 203.935 1.00 25.22 OECX O1- HETATM 95 O3 OEC 1 -26.075 -34.087 204.469 1.00 23.27 OECX O1- HETATM 96 O4 OEC 1 -28.675 -32.739 202.037 1.00 26.62 OECX O1- HETATM 97 O5 OEC 1 -26.760 -34.393 201.602 1.00 24.13 OECX O1- HETATM 98 HO4 OEC 1 -29.262 -31.937 201.913 1.00 0.00 OECX H HETATM 99 O HOH 0 49 -30.583 -28.352 205.743 1.00 24.15 WATR O HETATM 100 H1 HOH 0 49 -30.579 -27.652 205.058 1.00 0.00 WATR H HETATM 101 H2 HOH 0 49 -30.242 -27.913 206.574 1.00 0.00 WATR H HETATM 102 O HOH 0 53 -29.716 -27.161 207.928 1.00 20.44 WATR O HETATM 103 H1 HOH 0 53 -28.882 -27.495 208.315 1.00 0.00 WATR H HETATM 104 H2 HOH 0 53 -29.978 -26.351 208.425 1.00 0.00 WATR H HETATM 105 O HOH 0 55 -27.338 -25.243 209.917 1.00 34.79 WATR O HETATM 106 H1 HOH 0 55 -26.598 -25.180 209.274 1.00 0.00 WATR H HETATM 107 H2 HOH 0 55 -26.939 -25.665 210.711 1.00 0.00 WATR H HETATM 108 O HOH 0 76 -30.297 -30.747 201.716 1.00 23.89 WATR O HETATM 109 H1 HOH 0 76 -29.723 -30.118 201.192 1.00 0.00 WATR H HETATM 110 H2 HOH 0 76 -30.171 -30.476 202.673 1.00 0.00 WATR H HETATM 111 O HOH 0 77 -28.212 -38.748 202.181 1.00 27.39 WATR O HETATM 112 H1 HOH 0 77 -27.963 -39.322 201.434 1.00 0.00 WATR H HETATM 113 H2 HOH 0 77 -28.968 -39.169 202.634 1.00 0.00 WATR H HETATM 114 O HOH 0 78 -26.933 -36.843 200.274 1.00 26.05 WATR O HETATM 115 H1 HOH 0 78 -26.221 -37.382 200.690 1.00 0.00 WATR H HETATM 116 H2 HOH 0 78 -26.524 -35.975 200.097 1.00 0.00 WATR H HETATM 117 O HOH 0 81 -30.219 -24.243 211.656 1.00 35.82 WATR O HETATM 118 H1 HOH 0 81 -29.491 -23.567 211.540 1.00 0.00 WATR H HETATM 119 H2 HOH 0 81 -30.865 -23.911 212.312 1.00 0.00 WATR H HETATM 120 O HOH 0 124 -26.440 -34.029 198.814 1.00 29.00 WATR O HETATM 121 H1 HOH 0 124 -26.871 -34.579 198.118 1.00 0.00 WATR H HETATM 122 H2 HOH 0 124 -25.963 -33.268 198.414 1.00 0.00 WATR H HETATM 123 O HOH 0 125 -28.422 -31.838 199.199 1.00 22.35 WATR O HETATM 124 H1 HOH 0 125 -29.302 -31.956 198.800 1.00 0.00 WATR H HETATM 125 H2 HOH 0 125 -28.377 -30.911 199.552 1.00 0.00 WATR H HETATM 126 O HOH 0 478 -30.746 -24.976 209.201 1.00 48.29 WATR O HETATM 127 H1 HOH 0 478 -30.548 -24.735 210.150 1.00 0.00 WATR H HETATM 128 H2 HOH 0 478 -31.710 -25.024 209.145 1.00 0.00 WATR H HETATM 129 O HOH 0 539 -29.848 -30.440 204.274 1.00 24.55 WATR O HETATM 130 H1 HOH 0 539 -30.040 -29.666 204.874 1.00 0.00 WATR H HETATM 131 H2 HOH 0 539 -28.975 -30.801 204.544 1.00 0.00 WATR H HETATM 132 O HOH 0 651 -28.135 -22.861 210.914 1.00 35.35 WATR O HETATM 133 H1 HOH 0 651 -27.764 -23.696 210.518 1.00 0.00 WATR H HETATM 134 H2 HOH 0 651 -28.525 -22.370 210.160 1.00 0.00 WATR H ENDMDL MODEL 9 ATOM 1 CB ASP A 170 -30.888 -36.079 198.800 1.00 21.68 ACHN C ATOM 2 CG ASP A 170 -30.071 -35.709 200.056 1.00 22.58 ACHN C ATOM 3 OD1 ASP A 170 -30.255 -36.468 201.045 1.00 23.88 ACHN O ATOM 4 OD2 ASP A 170 -29.218 -34.785 199.994 1.00 23.14 ACHN O1- ATOM 5 1HB ASP A 170 -31.935 -36.228 199.088 1.00 0.00 ACHN H ATOM 6 2HB ASP A 170 -30.516 -37.071 198.523 1.00 0.00 ACHN H ATOM 7 CB GLU A 189 -23.556 -40.560 202.379 1.00 21.61 ACHN C ATOM 8 CG GLU A 189 -23.312 -39.153 202.949 1.00 23.95 ACHN C ATOM 9 CD GLU A 189 -24.307 -38.080 202.549 1.00 24.58 ACHN C ATOM 10 OE1 GLU A 189 -25.301 -38.375 201.850 1.00 26.37 ACHN O ATOM 11 OE2 GLU A 189 -24.029 -36.917 202.981 1.00 25.15 ACHN O1- ATOM 12 1HB GLU A 189 -23.665 -40.535 201.289 1.00 0.00 ACHN H ATOM 13 2HB GLU A 189 -24.488 -40.970 202.781 1.00 0.00 ACHN H ATOM 14 1HG GLU A 189 -23.316 -39.181 204.043 1.00 0.00 ACHN H ATOM 15 2HG GLU A 189 -22.330 -38.745 202.694 1.00 0.00 ACHN H ATOM 16 ND1 HIS A 332 -21.318 -33.811 203.875 1.00 19.15 ACHN N ATOM 17 CG HIS A 332 -21.579 -33.431 202.576 1.00 20.35 ACHN C ATOM 18 CB HIS A 332 -20.644 -32.715 201.670 1.00 20.37 ACHN C ATOM 19 NE2 HIS A 332 -23.388 -34.376 203.484 1.00 20.03 ACHN N ATOM 20 CD2 HIS A 332 -22.880 -33.795 202.350 1.00 19.86 ACHN C ATOM 21 CE1 HIS A 332 -22.425 -34.360 204.391 1.00 22.82 ACHN C ATOM 22 HD1 HIS A 332 -20.456 -33.681 204.414 1.00 0.00 ACHN H ATOM 23 1HB HIS A 332 -21.189 -32.579 200.738 1.00 0.00 ACHN H ATOM 24 2HB HIS A 332 -19.773 -33.331 201.423 1.00 0.00 ACHN H ATOM 25 HD2 HIS A 332 -23.485 -33.655 201.467 1.00 0.00 ACHN H ATOM 26 HE1 HIS A 332 -22.504 -34.738 205.396 1.00 0.00 ACHN H ATOM 27 CB GLU A 333 -24.237 -29.585 202.846 1.00 21.00 ACHN C ATOM 28 CG GLU A 333 -24.590 -30.350 201.569 1.00 21.57 ACHN C ATOM 29 CD GLU A 333 -25.785 -31.283 201.671 1.00 21.75 ACHN C ATOM 30 OE1 GLU A 333 -26.154 -31.673 202.824 1.00 24.22 ACHN O ATOM 31 OE2 GLU A 333 -26.273 -31.674 200.575 1.00 22.07 ACHN O1- ATOM 32 1HB GLU A 333 -24.191 -30.284 203.677 1.00 0.00 ACHN H ATOM 33 2HB GLU A 333 -25.033 -28.868 203.072 1.00 0.00 ACHN H ATOM 34 1HG GLU A 333 -24.762 -29.684 200.721 1.00 0.00 ACHN H ATOM 35 2HG GLU A 333 -23.789 -31.040 201.266 1.00 0.00 ACHN H ATOM 36 CB ASP A 342 -24.409 -36.738 208.094 1.00 21.99 ACHN C ATOM 37 CG ASP A 342 -25.072 -36.174 206.822 1.00 22.35 ACHN C ATOM 38 OD1 ASP A 342 -26.311 -35.870 206.855 1.00 20.72 ACHN O ATOM 39 OD2 ASP A 342 -24.323 -36.015 205.823 1.00 23.49 ACHN O1- ATOM 40 1HB ASP A 342 -23.717 -35.966 208.447 1.00 0.00 ACHN H ATOM 41 2HB ASP A 342 -23.801 -37.598 207.814 1.00 0.00 ACHN H ATOM 42 CA ALA A 344 -29.999 -38.576 206.107 1.00 24.73 ACHN C ATOM 43 C ALA A 344 -29.484 -37.479 205.214 1.00 25.09 ACHN C ATOM 44 O ALA A 344 -28.983 -36.498 205.819 1.00 0.00 ACHN O ATOM 45 CB ALA A 344 -31.452 -38.237 206.401 1.00 24.24 ACHN C ATOM 46 OXT ALA A 344 -29.666 -37.574 203.961 1.00 0.00 ACHN O1- ATOM 47 HA ALA A 344 -29.849 -39.540 205.623 1.00 0.00 ACHN H ATOM 48 1HB ALA A 344 -31.935 -38.943 207.084 1.00 0.00 ACHN H ATOM 49 2HB ALA A 344 -31.481 -37.225 206.816 1.00 0.00 ACHN H ATOM 50 3HB ALA A 344 -32.010 -38.234 205.461 1.00 0.00 ACHN H TER 51 ALA A 344 ATOM 52 CB THR C 335 -27.881 -21.066 207.972 1.00 23.42 CCHN C ATOM 53 OG1 THR C 335 -29.041 -21.482 208.727 1.00 24.34 CCHN O ATOM 54 CG2 THR C 335 -26.883 -22.200 207.735 1.00 23.00 CCHN C ATOM 55 HB THR C 335 -28.240 -20.715 206.998 1.00 0.00 CCHN H ATOM 56 HG1 THR C 335 -29.383 -22.297 208.316 1.00 0.00 CCHN H ATOM 57 1HG2 THR C 335 -27.400 -23.114 207.438 1.00 0.00 CCHN H ATOM 58 2HG2 THR C 335 -26.203 -21.932 206.922 1.00 0.00 CCHN H ATOM 59 3HG2 THR C 335 -26.289 -22.487 208.606 1.00 0.00 CCHN H ATOM 60 CB GLU C 354 -29.951 -32.120 207.869 1.00 22.38 CCHN C ATOM 61 CG GLU C 354 -28.706 -31.543 207.151 1.00 21.52 CCHN C ATOM 62 CD GLU C 354 -28.201 -32.519 206.098 1.00 22.76 CCHN C ATOM 63 OE1 GLU C 354 -28.092 -33.733 206.476 1.00 22.57 CCHN O ATOM 64 OE2 GLU C 354 -27.931 -32.088 204.938 1.00 23.15 CCHN O1- ATOM 65 1HB GLU C 354 -29.667 -32.653 208.780 1.00 0.00 CCHN H ATOM 66 2HB GLU C 354 -30.427 -32.854 207.207 1.00 0.00 CCHN H ATOM 67 1HG GLU C 354 -28.899 -30.582 206.673 1.00 0.00 CCHN H ATOM 68 2HG GLU C 354 -27.897 -31.375 207.871 1.00 0.00 CCHN H ATOM 69 CB ARG C 357 -35.910 -33.033 205.117 1.00 22.16 CCHN C ATOM 70 CG ARG C 357 -35.211 -34.238 205.757 1.00 22.66 CCHN C ATOM 71 CD ARG C 357 -34.147 -34.861 204.864 1.00 23.36 CCHN C ATOM 72 NE ARG C 357 -33.051 -33.955 204.603 1.00 23.04 CCHN N ATOM 73 CZ ARG C 357 -31.844 -34.396 204.144 1.00 27.46 CCHN C ATOM 74 NH1 ARG C 357 -31.691 -35.703 203.913 1.00 26.40 CCHN N ATOM 75 NH2 ARG C 357 -30.861 -33.541 203.952 1.00 23.92 CCHN N1+ ATOM 76 1HB ARG C 357 -36.382 -33.331 204.173 1.00 0.00 CCHN H ATOM 77 2HB ARG C 357 -35.201 -32.247 204.881 1.00 0.00 CCHN H ATOM 78 1HG ARG C 357 -34.746 -33.971 206.712 1.00 0.00 CCHN H ATOM 79 2HG ARG C 357 -35.920 -35.047 205.951 1.00 0.00 CCHN H ATOM 80 1HD ARG C 357 -33.745 -35.731 205.382 1.00 0.00 CCHN H ATOM 81 2HD ARG C 357 -34.614 -35.227 203.937 1.00 0.00 CCHN H ATOM 82 HE ARG C 357 -33.298 -33.029 204.241 1.00 0.00 CCHN H ATOM 83 1HH1 ARG C 357 -30.786 -36.133 203.721 1.00 0.00 CCHN H ATOM 84 2HH1 ARG C 357 -32.486 -36.327 203.883 1.00 0.00 CCHN H ATOM 85 1HH2 ARG C 357 -29.882 -33.887 203.763 1.00 0.00 CCHN H ATOM 86 2HH2 ARG C 357 -30.949 -32.563 204.209 1.00 0.00 CCHN H TER 87 ARG C 357 HETATM 88 MN1 OEC 1 -25.106 -35.433 203.750 1.00 22.62 OECXMn2+ HETATM 89 MN2 OEC 1 -27.429 -35.210 205.314 1.00 22.88 OECXMn2+ HETATM 90 MN3 OEC 1 -27.274 -33.290 203.216 1.00 23.49 OECXMn2+ HETATM 91 MN4 OEC 1 -27.697 -33.238 200.372 1.00 26.26 OECXMn2+ HETATM 92 CA1 OEC 1 -28.139 -36.333 202.316 1.00 24.57 OECXCa2+ HETATM 93 O1 OEC 1 -26.591 -36.409 204.130 1.00 22.48 OECX O1- HETATM 94 O2 OEC 1 -28.435 -34.570 203.869 1.00 25.22 OECX O1- HETATM 95 O3 OEC 1 -25.986 -33.948 204.333 1.00 23.27 OECX O1- HETATM 96 O4 OEC 1 -28.705 -32.740 202.089 1.00 26.62 OECX O1- HETATM 97 O5 OEC 1 -26.691 -34.335 201.911 1.00 24.13 OECX O1- HETATM 98 HO4 OEC 1 -29.176 -31.880 202.062 1.00 0.00 OECX H HETATM 99 O HOH 0 49 -30.558 -28.306 205.784 1.00 24.15 WATR O HETATM 100 H1 HOH 0 49 -30.558 -27.631 205.076 1.00 0.00 WATR H HETATM 101 H2 HOH 0 49 -30.218 -27.843 206.595 1.00 0.00 WATR H HETATM 102 O HOH 0 53 -29.706 -27.096 208.014 1.00 20.44 WATR O HETATM 103 H1 HOH 0 53 -28.872 -27.488 208.346 1.00 0.00 WATR H HETATM 104 H2 HOH 0 53 -29.815 -26.221 208.449 1.00 0.00 WATR H HETATM 105 O HOH 0 55 -27.326 -25.219 209.929 1.00 34.79 WATR O HETATM 106 H1 HOH 0 55 -26.590 -25.171 209.279 1.00 0.00 WATR H HETATM 107 H2 HOH 0 55 -26.933 -25.659 210.716 1.00 0.00 WATR H HETATM 108 O HOH 0 76 -30.355 -30.723 201.662 1.00 23.89 WATR O HETATM 109 H1 HOH 0 76 -29.740 -30.136 201.138 1.00 0.00 WATR H HETATM 110 H2 HOH 0 76 -30.230 -30.430 202.607 1.00 0.00 WATR H HETATM 111 O HOH 0 77 -28.083 -38.804 202.230 1.00 27.39 WATR O HETATM 112 H1 HOH 0 77 -27.963 -39.377 201.452 1.00 0.00 WATR H HETATM 113 H2 HOH 0 77 -28.910 -39.067 202.683 1.00 0.00 WATR H HETATM 114 O HOH 0 78 -26.825 -36.726 200.312 1.00 26.05 WATR O HETATM 115 H1 HOH 0 78 -26.107 -37.232 200.768 1.00 0.00 WATR H HETATM 116 H2 HOH 0 78 -26.436 -35.867 200.064 1.00 0.00 WATR H HETATM 117 O HOH 0 81 -30.156 -24.195 211.714 1.00 35.82 WATR O HETATM 118 H1 HOH 0 81 -29.430 -23.516 211.599 1.00 0.00 WATR H HETATM 119 H2 HOH 0 81 -30.821 -23.861 212.348 1.00 0.00 WATR H HETATM 120 O HOH 0 124 -26.351 -34.077 198.796 1.00 29.00 WATR O HETATM 121 H1 HOH 0 124 -26.772 -34.600 198.076 1.00 0.00 WATR H HETATM 122 H2 HOH 0 124 -25.881 -33.297 198.425 1.00 0.00 WATR H HETATM 123 O HOH 0 125 -28.376 -31.623 198.916 1.00 22.35 WATR O HETATM 124 H1 HOH 0 125 -29.272 -31.699 198.539 1.00 0.00 WATR H HETATM 125 H2 HOH 0 125 -28.351 -30.750 199.395 1.00 0.00 WATR H HETATM 126 O HOH 0 478 -30.562 -24.763 209.201 1.00 48.29 WATR O HETATM 127 H1 HOH 0 478 -30.428 -24.605 210.177 1.00 0.00 WATR H HETATM 128 H2 HOH 0 478 -31.514 -24.901 209.095 1.00 0.00 WATR H HETATM 129 O HOH 0 539 -29.807 -30.347 204.192 1.00 24.55 WATR O HETATM 130 H1 HOH 0 539 -29.946 -29.621 204.847 1.00 0.00 WATR H HETATM 131 H2 HOH 0 539 -28.965 -30.807 204.415 1.00 0.00 WATR H HETATM 132 O HOH 0 651 -28.091 -22.831 210.920 1.00 35.35 WATR O HETATM 133 H1 HOH 0 651 -27.734 -23.675 210.526 1.00 0.00 WATR H HETATM 134 H2 HOH 0 651 -28.504 -22.352 210.171 1.00 0.00 WATR H ENDMDL MODEL 10 ATOM 1 CB ASP A 170 -30.782 -35.996 198.866 1.00 21.68 ACHN C ATOM 2 CG ASP A 170 -29.962 -35.470 200.066 1.00 22.58 ACHN C ATOM 3 OD1 ASP A 170 -30.105 -36.090 201.145 1.00 23.88 ACHN O ATOM 4 OD2 ASP A 170 -29.107 -34.547 199.853 1.00 23.14 ACHN O1- ATOM 5 1HB ASP A 170 -31.805 -36.211 199.191 1.00 0.00 ACHN H ATOM 6 2HB ASP A 170 -30.327 -36.962 198.625 1.00 0.00 ACHN H ATOM 7 CB GLU A 189 -23.569 -40.582 202.342 1.00 21.61 ACHN C ATOM 8 CG GLU A 189 -23.360 -39.146 202.854 1.00 23.95 ACHN C ATOM 9 CD GLU A 189 -24.394 -38.083 202.510 1.00 24.58 ACHN C ATOM 10 OE1 GLU A 189 -25.452 -38.315 201.892 1.00 26.37 ACHN O ATOM 11 OE2 GLU A 189 -24.057 -36.919 202.947 1.00 25.15 ACHN O1- ATOM 12 1HB GLU A 189 -23.667 -40.609 201.250 1.00 0.00 ACHN H ATOM 13 2HB GLU A 189 -24.494 -40.997 202.757 1.00 0.00 ACHN H ATOM 14 1HG GLU A 189 -23.304 -39.142 203.948 1.00 0.00 ACHN H ATOM 15 2HG GLU A 189 -22.403 -38.716 202.544 1.00 0.00 ACHN H ATOM 16 ND1 HIS A 332 -21.314 -33.783 203.913 1.00 19.15 ACHN N ATOM 17 CG HIS A 332 -21.591 -33.423 202.610 1.00 20.35 ACHN C ATOM 18 CB HIS A 332 -20.658 -32.717 201.688 1.00 20.37 ACHN C ATOM 19 NE2 HIS A 332 -23.379 -34.380 203.556 1.00 20.03 ACHN N ATOM 20 CD2 HIS A 332 -22.889 -33.808 202.400 1.00 19.86 ACHN C ATOM 21 CE1 HIS A 332 -22.397 -34.342 204.452 1.00 22.82 ACHN C ATOM 22 HD1 HIS A 332 -20.442 -33.642 204.442 1.00 0.00 ACHN H ATOM 23 1HB HIS A 332 -21.202 -32.589 200.754 1.00 0.00 ACHN H ATOM 24 2HB HIS A 332 -19.793 -33.342 201.452 1.00 0.00 ACHN H ATOM 25 HD2 HIS A 332 -23.498 -33.704 201.515 1.00 0.00 ACHN H ATOM 26 HE1 HIS A 332 -22.447 -34.717 205.458 1.00 0.00 ACHN H ATOM 27 CB GLU A 333 -24.231 -29.595 202.858 1.00 21.00 ACHN C ATOM 28 CG GLU A 333 -24.594 -30.381 201.594 1.00 21.57 ACHN C ATOM 29 CD GLU A 333 -25.732 -31.366 201.748 1.00 21.75 ACHN C ATOM 30 OE1 GLU A 333 -26.027 -31.815 202.903 1.00 24.22 ACHN O ATOM 31 OE2 GLU A 333 -26.275 -31.760 200.670 1.00 22.07 ACHN O1- ATOM 32 1HB GLU A 333 -24.171 -30.283 203.696 1.00 0.00 ACHN H ATOM 33 2HB GLU A 333 -25.031 -28.880 203.079 1.00 0.00 ACHN H ATOM 34 1HG GLU A 333 -24.837 -29.729 200.754 1.00 0.00 ACHN H ATOM 35 2HG GLU A 333 -23.779 -31.035 201.254 1.00 0.00 ACHN H ATOM 36 CB ASP A 342 -24.407 -36.724 208.101 1.00 21.99 ACHN C ATOM 37 CG ASP A 342 -25.043 -36.164 206.824 1.00 22.35 ACHN C ATOM 38 OD1 ASP A 342 -26.269 -35.803 206.815 1.00 20.72 ACHN O ATOM 39 OD2 ASP A 342 -24.282 -36.052 205.820 1.00 23.49 ACHN O1- ATOM 40 1HB ASP A 342 -23.723 -35.948 208.466 1.00 0.00 ACHN H ATOM 41 2HB ASP A 342 -23.784 -37.575 207.831 1.00 0.00 ACHN H ATOM 42 CA ALA A 344 -29.944 -38.424 206.111 1.00 24.73 ACHN C ATOM 43 C ALA A 344 -29.323 -37.332 205.271 1.00 25.09 ACHN C ATOM 44 O ALA A 344 -28.650 -36.458 205.919 1.00 0.00 ACHN O ATOM 45 CB ALA A 344 -31.382 -38.052 206.411 1.00 24.24 ACHN C ATOM 46 OXT ALA A 344 -29.510 -37.362 204.030 1.00 0.00 ACHN O1- ATOM 47 HA ALA A 344 -29.852 -39.364 205.567 1.00 0.00 ACHN H ATOM 48 1HB ALA A 344 -31.875 -38.805 207.033 1.00 0.00 ACHN H ATOM 49 2HB ALA A 344 -31.403 -37.079 206.912 1.00 0.00 ACHN H ATOM 50 3HB ALA A 344 -31.943 -37.971 205.478 1.00 0.00 ACHN H TER 51 ALA A 344 ATOM 52 CB THR C 335 -27.868 -21.063 207.969 1.00 23.42 CCHN C ATOM 53 OG1 THR C 335 -28.972 -21.548 208.792 1.00 24.34 CCHN O ATOM 54 CG2 THR C 335 -26.855 -22.163 207.651 1.00 23.00 CCHN C ATOM 55 HB THR C 335 -28.315 -20.706 207.038 1.00 0.00 CCHN H ATOM 56 HG1 THR C 335 -29.473 -22.182 208.250 1.00 0.00 CCHN H ATOM 57 1HG2 THR C 335 -27.362 -23.106 207.431 1.00 0.00 CCHN H ATOM 58 2HG2 THR C 335 -26.278 -21.892 206.763 1.00 0.00 CCHN H ATOM 59 3HG2 THR C 335 -26.145 -22.388 208.452 1.00 0.00 CCHN H ATOM 60 CB GLU C 354 -29.950 -32.124 207.858 1.00 22.38 CCHN C ATOM 61 CG GLU C 354 -28.716 -31.578 207.089 1.00 21.52 CCHN C ATOM 62 CD GLU C 354 -28.214 -32.566 206.041 1.00 22.76 CCHN C ATOM 63 OE1 GLU C 354 -28.088 -33.784 206.407 1.00 22.57 CCHN O ATOM 64 OE2 GLU C 354 -27.941 -32.145 204.872 1.00 23.15 CCHN O1- ATOM 65 1HB GLU C 354 -29.642 -32.635 208.774 1.00 0.00 CCHN H ATOM 66 2HB GLU C 354 -30.444 -32.876 207.229 1.00 0.00 CCHN H ATOM 67 1HG GLU C 354 -28.913 -30.630 206.589 1.00 0.00 CCHN H ATOM 68 2HG GLU C 354 -27.890 -31.396 207.786 1.00 0.00 CCHN H ATOM 69 CB ARG C 357 -35.915 -33.037 205.116 1.00 22.16 CCHN C ATOM 70 CG ARG C 357 -35.210 -34.232 205.769 1.00 22.66 CCHN C ATOM 71 CD ARG C 357 -34.161 -34.874 204.876 1.00 23.36 CCHN C ATOM 72 NE ARG C 357 -33.073 -33.964 204.563 1.00 23.04 CCHN N ATOM 73 CZ ARG C 357 -31.906 -34.390 204.038 1.00 27.46 CCHN C ATOM 74 NH1 ARG C 357 -31.734 -35.693 203.809 1.00 26.40 CCHN N ATOM 75 NH2 ARG C 357 -30.940 -33.516 203.757 1.00 23.92 CCHN N1+ ATOM 76 1HB ARG C 357 -36.396 -33.351 204.183 1.00 0.00 CCHN H ATOM 77 2HB ARG C 357 -35.214 -32.247 204.866 1.00 0.00 CCHN H ATOM 78 1HG ARG C 357 -34.741 -33.960 206.721 1.00 0.00 CCHN H ATOM 79 2HG ARG C 357 -35.917 -35.039 205.974 1.00 0.00 CCHN H ATOM 80 1HD ARG C 357 -33.739 -35.729 205.406 1.00 0.00 CCHN H ATOM 81 2HD ARG C 357 -34.636 -35.254 203.963 1.00 0.00 CCHN H ATOM 82 HE ARG C 357 -33.337 -33.022 204.256 1.00 0.00 CCHN H ATOM 83 1HH1 ARG C 357 -30.822 -36.087 203.591 1.00 0.00 CCHN H ATOM 84 2HH1 ARG C 357 -32.515 -36.336 203.844 1.00 0.00 CCHN H ATOM 85 1HH2 ARG C 357 -29.996 -33.873 203.571 1.00 0.00 CCHN H ATOM 86 2HH2 ARG C 357 -30.989 -32.558 204.091 1.00 0.00 CCHN H TER 87 ARG C 357 HETATM 88 MN1 OEC 1 -24.994 -35.513 203.835 1.00 22.62 OECXMn2+ HETATM 89 MN2 OEC 1 -27.356 -35.210 205.230 1.00 22.88 OECXMn2+ HETATM 90 MN3 OEC 1 -27.268 -33.308 203.234 1.00 23.49 OECXMn2+ HETATM 91 MN4 OEC 1 -27.662 -33.220 200.540 1.00 26.26 OECXMn2+ HETATM 92 CA1 OEC 1 -27.953 -36.470 202.260 1.00 24.57 OECXCa2+ HETATM 93 O1 OEC 1 -26.550 -36.438 204.158 1.00 22.48 OECX O1- HETATM 94 O2 OEC 1 -28.407 -34.641 203.861 1.00 25.22 OECX O1- HETATM 95 O3 OEC 1 -26.087 -34.104 204.500 1.00 23.27 OECX O1- HETATM 96 O4 OEC 1 -28.489 -32.677 202.016 1.00 26.62 OECX O1- HETATM 97 O5 OEC 1 -26.659 -34.354 201.928 1.00 24.13 OECX O1- HETATM 98 O HOH 0 49 -30.515 -28.237 205.824 1.00 24.15 WATR O HETATM 99 H1 HOH 0 49 -30.595 -27.559 205.120 1.00 0.00 WATR H HETATM 100 H2 HOH 0 49 -30.121 -28.999 205.331 1.00 0.00 WATR H HETATM 101 O HOH 0 53 -29.663 -26.993 208.095 1.00 20.44 WATR O HETATM 102 H1 HOH 0 53 -28.866 -27.473 208.400 1.00 0.00 WATR H HETATM 103 H2 HOH 0 53 -29.964 -27.468 207.279 1.00 0.00 WATR H HETATM 104 O HOH 0 55 -27.185 -25.110 210.016 1.00 34.79 WATR O HETATM 105 H1 HOH 0 55 -26.476 -25.082 209.329 1.00 0.00 WATR H HETATM 106 H2 HOH 0 55 -26.800 -25.585 210.794 1.00 0.00 WATR H HETATM 107 O HOH 0 76 -30.322 -30.827 201.627 1.00 23.89 WATR O HETATM 108 H1 HOH 0 76 -29.754 -30.181 201.121 1.00 0.00 WATR H HETATM 109 H2 HOH 0 76 -29.712 -31.594 201.759 1.00 0.00 WATR H HETATM 110 O HOH 0 77 -28.152 -38.877 202.222 1.00 27.39 WATR O HETATM 111 H1 HOH 0 77 -27.933 -39.443 201.458 1.00 0.00 WATR H HETATM 112 H2 HOH 0 77 -28.939 -39.264 202.656 1.00 0.00 WATR H HETATM 113 O HOH 0 78 -27.276 -36.989 200.000 1.00 26.05 WATR O HETATM 114 H1 HOH 0 78 -26.422 -37.460 200.027 1.00 0.00 WATR H HETATM 115 H2 HOH 0 78 -27.290 -36.468 199.174 1.00 0.00 WATR H HETATM 116 O HOH 0 81 -30.151 -24.144 211.684 1.00 35.82 WATR O HETATM 117 H1 HOH 0 81 -30.553 -24.537 210.854 1.00 0.00 WATR H HETATM 118 H2 HOH 0 81 -30.854 -23.874 212.314 1.00 0.00 WATR H HETATM 119 O HOH 0 124 -26.493 -33.857 198.937 1.00 29.00 WATR O HETATM 120 H1 HOH 0 124 -26.952 -34.269 198.178 1.00 0.00 WATR H HETATM 121 H2 HOH 0 124 -25.960 -33.089 198.611 1.00 0.00 WATR H HETATM 122 O HOH 0 125 -28.435 -31.691 199.110 1.00 22.35 WATR O HETATM 123 H1 HOH 0 125 -29.297 -31.810 198.670 1.00 0.00 WATR H HETATM 124 H2 HOH 0 125 -28.423 -30.760 199.473 1.00 0.00 WATR H HETATM 125 O HOH 0 478 -30.854 -25.024 209.343 1.00 48.29 WATR O HETATM 126 H1 HOH 0 478 -30.340 -25.774 208.908 1.00 0.00 WATR H HETATM 127 H2 HOH 0 478 -31.771 -25.160 209.063 1.00 0.00 WATR H HETATM 128 O HOH 0 539 -29.788 -30.306 204.247 1.00 24.55 WATR O HETATM 129 H1 HOH 0 539 -30.004 -30.324 203.285 1.00 0.00 WATR H HETATM 130 H2 HOH 0 539 -28.943 -30.790 204.346 1.00 0.00 WATR H HETATM 131 O HOH 0 651 -28.174 -22.959 210.826 1.00 35.35 WATR O1+ HETATM 132 H1 HOH 0 651 -27.677 -23.823 210.461 1.00 0.00 WATR H HETATM 133 H2 HOH 0 651 -29.051 -23.339 211.293 1.00 0.00 WATR H HETATM 134 H HOH 0 651 -28.488 -22.414 210.033 1.00 0.00 H ENDMDL MODEL 11 ATOM 1 CB ASP A 170 -30.892 -36.084 198.793 1.00 21.68 ACHN C ATOM 2 CG ASP A 170 -30.206 -35.647 200.099 1.00 22.58 ACHN C ATOM 3 OD1 ASP A 170 -30.476 -36.350 201.113 1.00 23.88 ACHN O ATOM 4 OD2 ASP A 170 -29.333 -34.738 200.066 1.00 23.14 ACHN O1- ATOM 5 1HB ASP A 170 -31.937 -36.340 198.993 1.00 0.00 ACHN H ATOM 6 2HB ASP A 170 -30.391 -37.026 198.545 1.00 0.00 ACHN H ATOM 7 CB GLU A 189 -23.556 -40.564 202.375 1.00 21.61 ACHN C ATOM 8 CG GLU A 189 -23.313 -39.145 202.911 1.00 23.95 ACHN C ATOM 9 CD GLU A 189 -24.366 -38.123 202.538 1.00 24.58 ACHN C ATOM 10 OE1 GLU A 189 -25.396 -38.478 201.927 1.00 26.37 ACHN O ATOM 11 OE2 GLU A 189 -24.106 -36.925 202.910 1.00 25.15 ACHN O1- ATOM 12 1HB GLU A 189 -23.675 -40.563 201.286 1.00 0.00 ACHN H ATOM 13 2HB GLU A 189 -24.483 -40.967 202.795 1.00 0.00 ACHN H ATOM 14 1HG GLU A 189 -23.267 -39.150 204.006 1.00 0.00 ACHN H ATOM 15 2HG GLU A 189 -22.357 -38.714 202.602 1.00 0.00 ACHN H ATOM 16 ND1 HIS A 332 -21.368 -33.809 203.904 1.00 19.15 ACHN N ATOM 17 CG HIS A 332 -21.625 -33.419 202.604 1.00 20.35 ACHN C ATOM 18 CB HIS A 332 -20.668 -32.718 201.698 1.00 20.37 ACHN C ATOM 19 NE2 HIS A 332 -23.440 -34.376 203.507 1.00 20.03 ACHN N ATOM 20 CD2 HIS A 332 -22.927 -33.785 202.372 1.00 19.86 ACHN C ATOM 21 CE1 HIS A 332 -22.472 -34.365 204.416 1.00 22.82 ACHN C ATOM 22 HD1 HIS A 332 -20.503 -33.687 204.441 1.00 0.00 ACHN H ATOM 23 1HB HIS A 332 -21.200 -32.589 200.757 1.00 0.00 ACHN H ATOM 24 2HB HIS A 332 -19.807 -33.352 201.471 1.00 0.00 ACHN H ATOM 25 HD2 HIS A 332 -23.527 -33.650 201.485 1.00 0.00 ACHN H ATOM 26 HE1 HIS A 332 -22.546 -34.754 205.416 1.00 0.00 ACHN H ATOM 27 CB GLU A 333 -24.231 -29.580 202.847 1.00 21.00 ACHN C ATOM 28 CG GLU A 333 -24.569 -30.328 201.562 1.00 21.57 ACHN C ATOM 29 CD GLU A 333 -25.721 -31.293 201.687 1.00 21.75 ACHN C ATOM 30 OE1 GLU A 333 -26.059 -31.677 202.857 1.00 24.22 ACHN O ATOM 31 OE2 GLU A 333 -26.206 -31.721 200.607 1.00 22.07 ACHN O1- ATOM 32 1HB GLU A 333 -24.182 -30.285 203.671 1.00 0.00 ACHN H ATOM 33 2HB GLU A 333 -25.030 -28.867 203.076 1.00 0.00 ACHN H ATOM 34 1HG GLU A 333 -24.780 -29.656 200.728 1.00 0.00 ACHN H ATOM 35 2HG GLU A 333 -23.759 -30.991 201.228 1.00 0.00 ACHN H ATOM 36 CB ASP A 342 -24.421 -36.724 208.085 1.00 21.99 ACHN C ATOM 37 CG ASP A 342 -25.079 -36.201 206.791 1.00 22.35 ACHN C ATOM 38 OD1 ASP A 342 -26.297 -35.837 206.796 1.00 20.72 ACHN O ATOM 39 OD2 ASP A 342 -24.330 -36.125 205.772 1.00 23.49 ACHN O1- ATOM 40 1HB ASP A 342 -23.758 -35.923 208.433 1.00 0.00 ACHN H ATOM 41 2HB ASP A 342 -23.780 -37.566 207.831 1.00 0.00 ACHN H ATOM 42 CA ALA A 344 -29.954 -38.451 206.118 1.00 24.73 ACHN C ATOM 43 C ALA A 344 -29.359 -37.347 205.281 1.00 25.09 ACHN C ATOM 44 O ALA A 344 -28.684 -36.473 205.916 1.00 0.00 ACHN O ATOM 45 CB ALA A 344 -31.396 -38.093 206.419 1.00 24.24 ACHN C ATOM 46 OXT ALA A 344 -29.599 -37.373 204.047 1.00 0.00 ACHN O1- ATOM 47 HA ALA A 344 -29.845 -39.390 205.576 1.00 0.00 ACHN H ATOM 48 1HB ALA A 344 -31.889 -38.843 207.045 1.00 0.00 ACHN H ATOM 49 2HB ALA A 344 -31.419 -37.116 206.912 1.00 0.00 ACHN H ATOM 50 3HB ALA A 344 -31.952 -38.014 205.482 1.00 0.00 ACHN H TER 51 ALA A 344 ATOM 52 CB THR C 335 -27.867 -21.065 207.969 1.00 23.42 CCHN C ATOM 53 OG1 THR C 335 -28.977 -21.545 208.786 1.00 24.34 CCHN O ATOM 54 CG2 THR C 335 -26.855 -22.169 207.661 1.00 23.00 CCHN C ATOM 55 HB THR C 335 -28.305 -20.710 207.034 1.00 0.00 CCHN H ATOM 56 HG1 THR C 335 -29.481 -22.167 208.235 1.00 0.00 CCHN H ATOM 57 1HG2 THR C 335 -27.362 -23.107 207.425 1.00 0.00 CCHN H ATOM 58 2HG2 THR C 335 -26.260 -21.895 206.786 1.00 0.00 CCHN H ATOM 59 3HG2 THR C 335 -26.162 -22.405 208.473 1.00 0.00 CCHN H ATOM 60 CB GLU C 354 -29.975 -32.162 207.934 1.00 22.38 CCHN C ATOM 61 CG GLU C 354 -28.646 -31.636 207.348 1.00 21.52 CCHN C ATOM 62 CD GLU C 354 -28.167 -32.532 206.220 1.00 22.76 CCHN C ATOM 63 OE1 GLU C 354 -28.071 -33.788 206.479 1.00 22.57 CCHN O ATOM 64 OE2 GLU C 354 -27.902 -32.014 205.106 1.00 23.15 CCHN O1- ATOM 65 1HB GLU C 354 -29.797 -32.727 208.854 1.00 0.00 CCHN H ATOM 66 2HB GLU C 354 -30.429 -32.860 207.218 1.00 0.00 CCHN H ATOM 67 1HG GLU C 354 -28.724 -30.622 206.952 1.00 0.00 CCHN H ATOM 68 2HG GLU C 354 -27.877 -31.610 208.125 1.00 0.00 CCHN H ATOM 69 CB ARG C 357 -35.919 -33.035 205.112 1.00 22.16 CCHN C ATOM 70 CG ARG C 357 -35.269 -34.276 205.734 1.00 22.66 CCHN C ATOM 71 CD ARG C 357 -34.170 -34.861 204.865 1.00 23.36 CCHN C ATOM 72 NE ARG C 357 -33.102 -33.909 204.656 1.00 23.04 CCHN N ATOM 73 CZ ARG C 357 -31.868 -34.298 204.248 1.00 27.46 CCHN C ATOM 74 NH1 ARG C 357 -31.657 -35.597 204.031 1.00 26.40 CCHN N ATOM 75 NH2 ARG C 357 -30.897 -33.412 204.109 1.00 23.92 CCHN N1+ ATOM 76 1HB ARG C 357 -36.382 -33.292 204.153 1.00 0.00 CCHN H ATOM 77 2HB ARG C 357 -35.184 -32.262 204.913 1.00 0.00 CCHN H ATOM 78 1HG ARG C 357 -34.845 -34.052 206.720 1.00 0.00 CCHN H ATOM 79 2HG ARG C 357 -35.994 -35.083 205.861 1.00 0.00 CCHN H ATOM 80 1HD ARG C 357 -33.754 -35.728 205.378 1.00 0.00 CCHN H ATOM 81 2HD ARG C 357 -34.593 -35.220 203.915 1.00 0.00 CCHN H ATOM 82 HE ARG C 357 -33.369 -32.992 204.286 1.00 0.00 CCHN H ATOM 83 1HH1 ARG C 357 -30.732 -35.970 203.838 1.00 0.00 CCHN H ATOM 84 2HH1 ARG C 357 -32.429 -36.230 203.872 1.00 0.00 CCHN H ATOM 85 1HH2 ARG C 357 -29.931 -33.764 203.937 1.00 0.00 CCHN H ATOM 86 2HH2 ARG C 357 -30.997 -32.437 204.377 1.00 0.00 CCHN H TER 87 ARG C 357 HETATM 88 MN1 OEC 1 -25.110 -35.504 203.767 1.00 22.62 OECXMn2+ HETATM 89 MN2 OEC 1 -27.424 -35.165 205.198 1.00 22.88 OECXMn2+ HETATM 90 MN3 OEC 1 -27.327 -33.131 203.254 1.00 23.49 OECXMn2+ HETATM 91 MN4 OEC 1 -27.613 -33.311 200.550 1.00 26.26 OECXMn2+ HETATM 92 CA1 OEC 1 -28.282 -36.279 202.243 1.00 24.57 OECXCa2+ HETATM 93 O1 OEC 1 -26.674 -36.406 204.067 1.00 22.48 OECX O1- HETATM 94 O2 OEC 1 -28.524 -34.580 203.928 1.00 25.22 OECX O1- HETATM 95 O3 OEC 1 -26.117 -34.097 204.476 1.00 23.27 OECX O1- HETATM 96 O4 OEC 1 -28.527 -32.633 202.014 1.00 26.62 OECX O1- HETATM 97 O5 OEC 1 -26.738 -34.447 201.631 1.00 24.13 OECX O1- HETATM 98 HO4 OEC 1 -29.685 -31.592 201.816 1.00 0.00 OECX H HETATM 99 O HOH 0 49 -30.531 -28.242 205.826 1.00 24.15 WATR O HETATM 100 H1 HOH 0 49 -30.586 -27.574 205.111 1.00 0.00 WATR H HETATM 101 H2 HOH 0 49 -29.971 -27.490 207.249 1.00 0.00 WATR H HETATM 102 O HOH 0 53 -29.663 -27.014 208.066 1.00 20.44 WATR O HETATM 103 H1 HOH 0 53 -28.873 -27.506 208.374 1.00 0.00 WATR H HETATM 104 H2 HOH 0 53 -30.372 -25.851 208.883 1.00 0.00 WATR H HETATM 105 O HOH 0 55 -27.191 -25.143 210.002 1.00 34.79 WATR O HETATM 106 H1 HOH 0 55 -26.488 -25.115 209.307 1.00 0.00 WATR H HETATM 107 H2 HOH 0 55 -26.795 -25.618 210.776 1.00 0.00 WATR H HETATM 108 O HOH 0 76 -30.310 -30.813 201.694 1.00 23.89 WATR O HETATM 109 H1 HOH 0 76 -29.740 -30.175 201.185 1.00 0.00 WATR H HETATM 110 H2 HOH 0 76 -29.961 -30.374 203.375 1.00 0.00 WATR H HETATM 111 O HOH 0 77 -28.236 -38.723 202.153 1.00 27.39 WATR O HETATM 112 H1 HOH 0 77 -27.962 -39.305 201.422 1.00 0.00 WATR H HETATM 113 H2 HOH 0 77 -28.977 -39.158 202.617 1.00 0.00 WATR H HETATM 114 O HOH 0 78 -26.860 -36.765 200.334 1.00 26.05 WATR O HETATM 115 H1 HOH 0 78 -26.211 -37.355 200.779 1.00 0.00 WATR H HETATM 116 H2 HOH 0 78 -26.484 -35.857 200.444 1.00 0.00 WATR H HETATM 117 O HOH 0 81 -30.201 -24.202 211.636 1.00 35.82 WATR O HETATM 118 H1 HOH 0 81 -29.093 -23.403 211.253 1.00 0.00 WATR H HETATM 119 H2 HOH 0 81 -30.901 -23.927 212.265 1.00 0.00 WATR H HETATM 120 O HOH 0 124 -26.532 -34.000 198.868 1.00 29.00 WATR O HETATM 121 H1 HOH 0 124 -26.924 -34.626 198.214 1.00 0.00 WATR H HETATM 122 H2 HOH 0 124 -26.091 -33.245 198.424 1.00 0.00 WATR H HETATM 123 O HOH 0 125 -28.425 -31.826 199.203 1.00 22.35 WATR O HETATM 124 H1 HOH 0 125 -29.327 -31.937 198.854 1.00 0.00 WATR H HETATM 125 H2 HOH 0 125 -28.372 -30.909 199.581 1.00 0.00 WATR H HETATM 126 O HOH 0 478 -30.920 -25.120 209.324 1.00 48.29 WATR O HETATM 127 H1 HOH 0 478 -30.602 -24.608 210.807 1.00 0.00 WATR H HETATM 128 H2 HOH 0 478 -31.833 -25.322 209.073 1.00 0.00 WATR H HETATM 129 O HOH 0 539 -29.815 -30.341 204.354 1.00 24.55 WATR O HETATM 130 H1 HOH 0 539 -30.148 -29.027 205.346 1.00 0.00 WATR H HETATM 131 H2 HOH 0 539 -28.964 -30.800 204.537 1.00 0.00 WATR H HETATM 132 O HOH 0 651 -28.206 -23.017 210.811 1.00 35.35 WATR O HETATM 133 H1 HOH 0 651 -27.695 -23.882 210.441 1.00 0.00 WATR H HETATM 134 H2 HOH 0 651 -28.501 -22.455 210.026 1.00 0.00 WATR H ENDMDL MODEL 12 ATOM 1 CB ASP A 170 -30.889 -36.083 198.794 1.00 21.68 ACHN C ATOM 2 CG ASP A 170 -30.181 -35.657 200.100 1.00 22.58 ACHN C ATOM 3 OD1 ASP A 170 -30.430 -36.390 201.095 1.00 23.88 ACHN O ATOM 4 OD2 ASP A 170 -29.329 -34.732 200.069 1.00 23.14 ACHN O1- ATOM 5 1HB ASP A 170 -31.936 -36.323 199.007 1.00 0.00 ACHN H ATOM 6 2HB ASP A 170 -30.408 -37.034 198.541 1.00 0.00 ACHN H ATOM 7 CB GLU A 189 -23.556 -40.560 202.381 1.00 21.61 ACHN C ATOM 8 CG GLU A 189 -23.318 -39.142 202.931 1.00 23.95 ACHN C ATOM 9 CD GLU A 189 -24.352 -38.098 202.537 1.00 24.58 ACHN C ATOM 10 OE1 GLU A 189 -25.361 -38.456 201.884 1.00 26.37 ACHN O ATOM 11 OE2 GLU A 189 -24.097 -36.918 202.925 1.00 25.15 ACHN O1- ATOM 12 1HB GLU A 189 -23.676 -40.546 201.293 1.00 0.00 ACHN H ATOM 13 2HB GLU A 189 -24.485 -40.966 202.794 1.00 0.00 ACHN H ATOM 14 1HG GLU A 189 -23.296 -39.157 204.025 1.00 0.00 ACHN H ATOM 15 2HG GLU A 189 -22.350 -38.722 202.645 1.00 0.00 ACHN H ATOM 16 ND1 HIS A 332 -21.356 -33.820 203.868 1.00 19.15 ACHN N ATOM 17 CG HIS A 332 -21.597 -33.426 202.568 1.00 20.35 ACHN C ATOM 18 CB HIS A 332 -20.646 -32.716 201.673 1.00 20.37 ACHN C ATOM 19 NE2 HIS A 332 -23.428 -34.369 203.438 1.00 20.03 ACHN N ATOM 20 CD2 HIS A 332 -22.898 -33.779 202.319 1.00 19.86 ACHN C ATOM 21 CE1 HIS A 332 -22.478 -34.368 204.359 1.00 22.82 ACHN C ATOM 22 HD1 HIS A 332 -20.503 -33.688 204.421 1.00 0.00 ACHN H ATOM 23 1HB HIS A 332 -21.179 -32.581 200.734 1.00 0.00 ACHN H ATOM 24 2HB HIS A 332 -19.774 -33.335 201.440 1.00 0.00 ACHN H ATOM 25 HD2 HIS A 332 -23.487 -33.622 201.428 1.00 0.00 ACHN H ATOM 26 HE1 HIS A 332 -22.579 -34.755 205.359 1.00 0.00 ACHN H ATOM 27 CB GLU A 333 -24.230 -29.592 202.833 1.00 21.00 ACHN C ATOM 28 CG GLU A 333 -24.555 -30.333 201.536 1.00 21.57 ACHN C ATOM 29 CD GLU A 333 -25.696 -31.327 201.631 1.00 21.75 ACHN C ATOM 30 OE1 GLU A 333 -26.079 -31.696 202.776 1.00 24.22 ACHN O ATOM 31 OE2 GLU A 333 -26.110 -31.778 200.518 1.00 22.07 ACHN O1- ATOM 32 1HB GLU A 333 -24.179 -30.308 203.649 1.00 0.00 ACHN H ATOM 33 2HB GLU A 333 -25.037 -28.891 203.066 1.00 0.00 ACHN H ATOM 34 1HG GLU A 333 -24.769 -29.649 200.712 1.00 0.00 ACHN H ATOM 35 2HG GLU A 333 -23.735 -30.978 201.196 1.00 0.00 ACHN H ATOM 36 CB ASP A 342 -24.414 -36.736 208.090 1.00 21.99 ACHN C ATOM 37 CG ASP A 342 -25.088 -36.190 206.810 1.00 22.35 ACHN C ATOM 38 OD1 ASP A 342 -26.322 -35.878 206.854 1.00 20.72 ACHN O ATOM 39 OD2 ASP A 342 -24.341 -36.054 205.807 1.00 23.49 ACHN O1- ATOM 40 1HB ASP A 342 -23.735 -35.949 208.437 1.00 0.00 ACHN H ATOM 41 2HB ASP A 342 -23.795 -37.590 207.819 1.00 0.00 ACHN H ATOM 42 CA ALA A 344 -29.999 -38.575 206.110 1.00 24.73 ACHN C ATOM 43 C ALA A 344 -29.492 -37.464 205.230 1.00 25.09 ACHN C ATOM 44 O ALA A 344 -28.990 -36.486 205.835 1.00 0.00 ACHN O ATOM 45 CB ALA A 344 -31.454 -38.249 206.404 1.00 24.24 ACHN C ATOM 46 OXT ALA A 344 -29.696 -37.555 203.980 1.00 0.00 ACHN O1- ATOM 47 HA ALA A 344 -29.838 -39.534 205.618 1.00 0.00 ACHN H ATOM 48 1HB ALA A 344 -31.935 -38.956 207.088 1.00 0.00 ACHN H ATOM 49 2HB ALA A 344 -31.489 -37.236 206.814 1.00 0.00 ACHN H ATOM 50 3HB ALA A 344 -32.009 -38.248 205.462 1.00 0.00 ACHN H TER 51 ALA A 344 ATOM 52 CB THR C 335 -27.867 -21.065 207.968 1.00 23.42 CCHN C ATOM 53 OG1 THR C 335 -28.967 -21.556 208.791 1.00 24.34 CCHN O ATOM 54 CG2 THR C 335 -26.850 -22.161 207.645 1.00 23.00 CCHN C ATOM 55 HB THR C 335 -28.315 -20.708 207.038 1.00 0.00 CCHN H ATOM 56 HG1 THR C 335 -29.451 -22.208 208.254 1.00 0.00 CCHN H ATOM 57 1HG2 THR C 335 -27.353 -23.104 207.417 1.00 0.00 CCHN H ATOM 58 2HG2 THR C 335 -26.272 -21.884 206.760 1.00 0.00 CCHN H ATOM 59 3HG2 THR C 335 -26.142 -22.390 208.447 1.00 0.00 CCHN H ATOM 60 CB GLU C 354 -29.951 -32.119 207.871 1.00 22.38 CCHN C ATOM 61 CG GLU C 354 -28.691 -31.534 207.187 1.00 21.52 CCHN C ATOM 62 CD GLU C 354 -28.184 -32.490 206.114 1.00 22.76 CCHN C ATOM 63 OE1 GLU C 354 -28.090 -33.713 206.478 1.00 22.57 CCHN O ATOM 64 OE2 GLU C 354 -27.908 -32.036 204.971 1.00 23.15 CCHN O1- ATOM 65 1HB GLU C 354 -29.687 -32.672 208.777 1.00 0.00 CCHN H ATOM 66 2HB GLU C 354 -30.418 -32.838 207.188 1.00 0.00 CCHN H ATOM 67 1HG GLU C 354 -28.867 -30.561 206.728 1.00 0.00 CCHN H ATOM 68 2HG GLU C 354 -27.892 -31.396 207.923 1.00 0.00 CCHN H ATOM 69 CB ARG C 357 -35.912 -33.031 205.117 1.00 22.16 CCHN C ATOM 70 CG ARG C 357 -35.253 -34.267 205.738 1.00 22.66 CCHN C ATOM 71 CD ARG C 357 -34.160 -34.857 204.862 1.00 23.36 CCHN C ATOM 72 NE ARG C 357 -33.078 -33.925 204.648 1.00 23.04 CCHN N ATOM 73 CZ ARG C 357 -31.840 -34.349 204.250 1.00 27.46 CCHN C ATOM 74 NH1 ARG C 357 -31.665 -35.664 204.067 1.00 26.40 CCHN N ATOM 75 NH2 ARG C 357 -30.853 -33.497 204.098 1.00 23.92 CCHN N1+ ATOM 76 1HB ARG C 357 -36.376 -33.294 204.159 1.00 0.00 CCHN H ATOM 77 2HB ARG C 357 -35.176 -32.260 204.915 1.00 0.00 CCHN H ATOM 78 1HG ARG C 357 -34.820 -34.037 206.719 1.00 0.00 CCHN H ATOM 79 2HG ARG C 357 -35.978 -35.073 205.875 1.00 0.00 CCHN H ATOM 80 1HD ARG C 357 -33.753 -35.729 205.374 1.00 0.00 CCHN H ATOM 81 2HD ARG C 357 -34.598 -35.216 203.917 1.00 0.00 CCHN H ATOM 82 HE ARG C 357 -33.329 -33.018 204.244 1.00 0.00 CCHN H ATOM 83 1HH1 ARG C 357 -30.755 -36.066 203.851 1.00 0.00 CCHN H ATOM 84 2HH1 ARG C 357 -32.454 -36.271 203.890 1.00 0.00 CCHN H ATOM 85 1HH2 ARG C 357 -29.834 -33.862 203.922 1.00 0.00 CCHN H ATOM 86 2HH2 ARG C 357 -30.968 -32.515 204.327 1.00 0.00 CCHN H TER 87 ARG C 357 HETATM 88 MN1 OEC 1 -25.188 -35.396 203.687 1.00 22.62 OECXMn2+ HETATM 89 MN2 OEC 1 -27.443 -35.167 205.287 1.00 22.88 OECXMn2+ HETATM 90 MN3 OEC 1 -27.344 -33.229 203.156 1.00 23.49 OECXMn2+ HETATM 91 MN4 OEC 1 -27.713 -33.197 200.421 1.00 26.26 OECXMn2+ HETATM 92 CA1 OEC 1 -28.260 -36.268 202.324 1.00 24.57 OECXCa2+ HETATM 93 O1 OEC 1 -26.680 -36.387 204.116 1.00 22.48 OECX O1- HETATM 94 O2 OEC 1 -28.525 -34.494 203.852 1.00 25.22 OECX O1- HETATM 95 O3 OEC 1 -26.016 -33.954 204.351 1.00 23.27 OECX O1- HETATM 96 O4 OEC 1 -28.580 -32.510 202.130 1.00 26.62 OECX O1- HETATM 97 O5 OEC 1 -26.731 -34.360 201.907 1.00 24.13 OECX O1- HETATM 98 O HOH 0 49 -30.531 -28.233 205.834 1.00 24.15 WATR O HETATM 99 H1 HOH 0 49 -30.593 -27.577 205.109 1.00 0.00 WATR H HETATM 100 H2 HOH 0 49 -30.131 -29.015 205.351 1.00 0.00 WATR H HETATM 101 O HOH 0 53 -29.667 -27.024 208.066 1.00 20.44 WATR O HETATM 102 H1 HOH 0 53 -28.883 -27.533 208.362 1.00 0.00 WATR H HETATM 103 H2 HOH 0 53 -29.983 -27.487 207.239 1.00 0.00 WATR H HETATM 104 O HOH 0 55 -27.188 -25.136 210.007 1.00 34.79 WATR O HETATM 105 H1 HOH 0 55 -26.494 -25.124 209.304 1.00 0.00 WATR H HETATM 106 H2 HOH 0 55 -26.798 -25.624 210.773 1.00 0.00 WATR H HETATM 107 O HOH 0 76 -30.350 -30.811 201.685 1.00 23.89 WATR O HETATM 108 H1 HOH 0 76 -29.754 -30.201 201.175 1.00 0.00 WATR H HETATM 109 H2 HOH 0 76 -29.699 -31.582 201.896 1.00 0.00 WATR H HETATM 110 O HOH 0 77 -28.182 -38.726 202.170 1.00 27.39 WATR O HETATM 111 H1 HOH 0 77 -28.006 -39.332 201.429 1.00 0.00 WATR H HETATM 112 H2 HOH 0 77 -28.964 -39.045 202.662 1.00 0.00 WATR H HETATM 113 O HOH 0 78 -26.827 -36.702 200.400 1.00 26.05 WATR O HETATM 114 H1 HOH 0 78 -26.179 -37.270 200.890 1.00 0.00 WATR H HETATM 115 H2 HOH 0 78 -26.417 -35.816 200.358 1.00 0.00 WATR H HETATM 116 O HOH 0 81 -30.156 -24.176 211.653 1.00 35.82 WATR O HETATM 117 H1 HOH 0 81 -30.539 -24.585 210.814 1.00 0.00 WATR H HETATM 118 H2 HOH 0 81 -30.868 -23.907 212.270 1.00 0.00 WATR H HETATM 119 O HOH 0 124 -26.450 -34.120 198.800 1.00 29.00 WATR O HETATM 120 H1 HOH 0 124 -26.869 -34.754 198.167 1.00 0.00 WATR H HETATM 121 H2 HOH 0 124 -25.987 -33.424 198.295 1.00 0.00 WATR H HETATM 122 O HOH 0 125 -28.363 -31.606 198.935 1.00 22.35 WATR O HETATM 123 H1 HOH 0 125 -29.261 -31.716 198.571 1.00 0.00 WATR H HETATM 124 H2 HOH 0 125 -28.375 -30.737 199.425 1.00 0.00 WATR H HETATM 125 O HOH 0 478 -30.823 -25.074 209.320 1.00 48.29 WATR O HETATM 126 H1 HOH 0 478 -30.300 -25.829 208.878 1.00 0.00 WATR H HETATM 127 H2 HOH 0 478 -31.738 -25.237 209.049 1.00 0.00 WATR H HETATM 128 O HOH 0 539 -29.758 -30.227 204.289 1.00 24.55 WATR O HETATM 129 H1 HOH 0 539 -29.988 -30.310 203.327 1.00 0.00 WATR H HETATM 130 H2 HOH 0 539 -28.945 -30.771 204.419 1.00 0.00 WATR H HETATM 131 O HOH 0 651 -28.161 -22.998 210.820 1.00 35.35 WATR O1+ HETATM 132 H1 HOH 0 651 -27.662 -23.873 210.447 1.00 0.00 WATR H HETATM 133 H2 HOH 0 651 -29.044 -23.379 211.274 1.00 0.00 WATR H HETATM 134 H HOH 0 651 -28.470 -22.446 210.033 1.00 0.00 H ENDMDL MODEL 13 ATOM 1 CB ASP A 61 -28.766 -27.435 201.583 1.00 21.80 ACHN C ATOM 2 CG ASP A 61 -28.139 -28.443 200.598 1.00 22.68 ACHN C ATOM 3 OD1 ASP A 61 -28.805 -29.504 200.313 1.00 23.26 ACHN O ATOM 4 OD2 ASP A 61 -27.008 -28.193 200.123 1.00 24.86 ACHN O1- ATOM 5 1HB ASP A 61 -28.202 -26.502 201.573 1.00 0.00 ACHN H ATOM 6 2HB ASP A 61 -28.710 -27.888 202.579 1.00 0.00 ACHN H ATOM 7 CB ASP A 170 -30.786 -35.997 198.865 1.00 21.68 ACHN C ATOM 8 CG ASP A 170 -29.990 -35.480 200.089 1.00 22.58 ACHN C ATOM 9 OD1 ASP A 170 -30.041 -36.221 201.110 1.00 23.88 ACHN O ATOM 10 OD2 ASP A 170 -29.286 -34.435 199.980 1.00 23.14 ACHN O1- ATOM 11 1HB ASP A 170 -31.810 -36.230 199.175 1.00 0.00 ACHN H ATOM 12 2HB ASP A 170 -30.312 -36.953 198.627 1.00 0.00 ACHN H ATOM 13 CB ASN A 181 -22.211 -32.089 193.544 1.00 18.23 ACHN C ATOM 14 CG ASN A 181 -22.420 -31.560 194.976 1.00 19.80 ACHN C ATOM 15 OD1 ASN A 181 -23.545 -31.626 195.481 1.00 22.15 ACHN O ATOM 16 ND2 ASN A 181 -21.350 -31.012 195.571 1.00 19.12 ACHN N ATOM 17 1HB ASN A 181 -21.662 -31.351 192.950 1.00 0.00 ACHN H ATOM 18 2HB ASN A 181 -23.210 -32.202 193.129 1.00 0.00 ACHN H ATOM 19 1HD2 ASN A 181 -21.416 -30.814 196.579 1.00 0.00 ACHN H ATOM 20 2HD2 ASN A 181 -20.448 -31.043 195.102 1.00 0.00 ACHN H ATOM 21 CB GLU A 189 -23.567 -40.574 202.350 1.00 21.61 ACHN C ATOM 22 CG GLU A 189 -23.349 -39.140 202.863 1.00 23.95 ACHN C ATOM 23 CD GLU A 189 -24.385 -38.076 202.526 1.00 24.58 ACHN C ATOM 24 OE1 GLU A 189 -25.441 -38.310 201.907 1.00 26.37 ACHN O ATOM 25 OE2 GLU A 189 -24.052 -36.912 202.970 1.00 25.15 ACHN O1- ATOM 26 1HB GLU A 189 -23.674 -40.596 201.260 1.00 0.00 ACHN H ATOM 27 2HB GLU A 189 -24.493 -40.983 202.768 1.00 0.00 ACHN H ATOM 28 1HG GLU A 189 -23.288 -39.137 203.956 1.00 0.00 ACHN H ATOM 29 2HG GLU A 189 -22.395 -38.710 202.548 1.00 0.00 ACHN H ATOM 30 ND1 HIS A 332 -21.302 -33.788 203.856 1.00 19.15 ACHN N ATOM 31 CG HIS A 332 -21.596 -33.411 202.561 1.00 20.35 ACHN C ATOM 32 CB HIS A 332 -20.682 -32.687 201.635 1.00 20.37 ACHN C ATOM 33 NE2 HIS A 332 -23.382 -34.362 203.529 1.00 20.03 ACHN N ATOM 34 CD2 HIS A 332 -22.900 -33.783 202.372 1.00 19.86 ACHN C ATOM 35 CE1 HIS A 332 -22.384 -34.339 204.407 1.00 22.82 ACHN C ATOM 36 HD1 HIS A 332 -20.430 -33.645 204.385 1.00 0.00 ACHN H ATOM 37 1HB HIS A 332 -21.240 -32.487 200.715 1.00 0.00 ACHN H ATOM 38 2HB HIS A 332 -19.826 -33.311 201.364 1.00 0.00 ACHN H ATOM 39 HD2 HIS A 332 -23.505 -33.648 201.488 1.00 0.00 ACHN H ATOM 40 HE1 HIS A 332 -22.426 -34.714 205.415 1.00 0.00 ACHN H ATOM 41 CB GLU A 333 -24.224 -29.599 202.879 1.00 21.00 ACHN C ATOM 42 CG GLU A 333 -24.729 -30.209 201.570 1.00 21.57 ACHN C ATOM 43 CD GLU A 333 -25.675 -31.380 201.737 1.00 21.75 ACHN C ATOM 44 OE1 GLU A 333 -25.992 -31.801 202.900 1.00 24.22 ACHN O ATOM 45 OE2 GLU A 333 -26.072 -31.917 200.657 1.00 22.07 ACHN O1- ATOM 46 1HB GLU A 333 -24.079 -30.385 203.612 1.00 0.00 ACHN H ATOM 47 2HB GLU A 333 -24.987 -28.926 203.276 1.00 0.00 ACHN H ATOM 48 1HG GLU A 333 -25.279 -29.479 200.964 1.00 0.00 ACHN H ATOM 49 2HG GLU A 333 -23.936 -30.590 200.915 1.00 0.00 ACHN H ATOM 50 CB ASP A 342 -24.419 -36.708 208.099 1.00 21.99 ACHN C ATOM 51 CG ASP A 342 -25.064 -36.155 206.823 1.00 22.35 ACHN C ATOM 52 OD1 ASP A 342 -26.293 -35.819 206.802 1.00 20.72 ACHN O ATOM 53 OD2 ASP A 342 -24.285 -36.029 205.829 1.00 23.49 ACHN O1- ATOM 54 1HB ASP A 342 -23.749 -35.921 208.461 1.00 0.00 ACHN H ATOM 55 2HB ASP A 342 -23.782 -37.548 207.824 1.00 0.00 ACHN H ATOM 56 CA ALA A 344 -29.946 -38.439 206.107 1.00 24.73 ACHN C ATOM 57 C ALA A 344 -29.339 -37.372 205.224 1.00 25.09 ACHN C ATOM 58 O ALA A 344 -28.688 -36.468 205.848 1.00 0.00 ACHN O ATOM 59 CB ALA A 344 -31.380 -38.060 206.417 1.00 24.24 ACHN C ATOM 60 OXT ALA A 344 -29.505 -37.452 203.982 1.00 0.00 ACHN O1- ATOM 61 HA ALA A 344 -29.861 -39.392 205.584 1.00 0.00 ACHN H ATOM 62 1HB ALA A 344 -31.868 -38.800 207.056 1.00 0.00 ACHN H ATOM 63 2HB ALA A 344 -31.389 -37.078 206.899 1.00 0.00 ACHN H ATOM 64 3HB ALA A 344 -31.949 -37.998 205.488 1.00 0.00 ACHN H TER 65 ALA A 344 ATOM 66 CB GLU C 354 -29.934 -32.091 207.806 1.00 22.38 CCHN C ATOM 67 CG GLU C 354 -28.856 -31.520 206.847 1.00 21.52 CCHN C ATOM 68 CD GLU C 354 -28.295 -32.566 205.896 1.00 22.76 CCHN C ATOM 69 OE1 GLU C 354 -28.163 -33.753 206.297 1.00 22.57 CCHN O ATOM 70 OE2 GLU C 354 -27.985 -32.161 204.709 1.00 23.15 CCHN O1- ATOM 71 1HB GLU C 354 -29.472 -32.519 208.698 1.00 0.00 CCHN H ATOM 72 2HB GLU C 354 -30.435 -32.923 207.297 1.00 0.00 CCHN H ATOM 73 1HG GLU C 354 -29.218 -30.707 206.215 1.00 0.00 CCHN H ATOM 74 2HG GLU C 354 -28.007 -31.118 207.415 1.00 0.00 CCHN H ATOM 75 CB ARG C 357 -35.915 -33.037 205.109 1.00 22.16 CCHN C ATOM 76 CG ARG C 357 -35.139 -34.186 205.772 1.00 22.66 CCHN C ATOM 77 CD ARG C 357 -34.180 -34.916 204.836 1.00 23.36 CCHN C ATOM 78 NE ARG C 357 -33.122 -34.074 204.306 1.00 23.04 CCHN N ATOM 79 CZ ARG C 357 -32.005 -34.552 203.722 1.00 27.46 CCHN C ATOM 80 NH1 ARG C 357 -31.792 -35.866 203.680 1.00 26.40 CCHN N ATOM 81 NH2 ARG C 357 -31.123 -33.702 203.192 1.00 23.92 CCHN N1+ ATOM 82 1HB ARG C 357 -36.417 -33.399 204.206 1.00 0.00 CCHN H ATOM 83 2HB ARG C 357 -35.257 -32.231 204.807 1.00 0.00 CCHN H ATOM 84 1HG ARG C 357 -34.590 -33.852 206.655 1.00 0.00 CCHN H ATOM 85 2HG ARG C 357 -35.818 -34.974 206.099 1.00 0.00 CCHN H ATOM 86 1HD ARG C 357 -33.714 -35.725 205.399 1.00 0.00 CCHN H ATOM 87 2HD ARG C 357 -34.757 -35.371 204.024 1.00 0.00 CCHN H ATOM 88 HE ARG C 357 -33.366 -33.117 204.031 1.00 0.00 CCHN H ATOM 89 1HH1 ARG C 357 -30.910 -36.248 203.351 1.00 0.00 CCHN H ATOM 90 2HH1 ARG C 357 -32.544 -36.519 203.866 1.00 0.00 CCHN H ATOM 91 1HH2 ARG C 357 -30.170 -34.001 202.987 1.00 0.00 CCHN H ATOM 92 2HH2 ARG C 357 -31.270 -32.703 203.259 1.00 0.00 CCHN H TER 93 ARG C 357 ATOM 94 CB LYS D 317 -20.529 -27.380 195.905 1.00 18.63 DCHN C ATOM 95 CG LYS D 317 -21.444 -26.281 196.479 1.00 20.07 DCHN C ATOM 96 CD LYS D 317 -22.930 -26.405 196.121 1.00 19.19 DCHN C ATOM 97 CE LYS D 317 -23.626 -27.713 196.485 1.00 21.04 DCHN C ATOM 98 NZ LYS D 317 -23.631 -28.012 197.951 1.00 24.18 DCHN N1+ ATOM 99 1HB LYS D 317 -20.748 -27.590 194.853 1.00 0.00 DCHN H ATOM 100 2HB LYS D 317 -20.684 -28.322 196.442 1.00 0.00 DCHN H ATOM 101 1HG LYS D 317 -21.328 -26.247 197.567 1.00 0.00 DCHN H ATOM 102 2HG LYS D 317 -21.134 -25.293 196.135 1.00 0.00 DCHN H ATOM 103 1HD LYS D 317 -23.461 -25.573 196.598 1.00 0.00 DCHN H ATOM 104 2HD LYS D 317 -23.064 -26.268 195.039 1.00 0.00 DCHN H ATOM 105 1HE LYS D 317 -24.675 -27.683 196.180 1.00 0.00 DCHN H ATOM 106 2HE LYS D 317 -23.171 -28.578 195.993 1.00 0.00 DCHN H ATOM 107 1HZ LYS D 317 -24.557 -28.523 198.149 1.00 0.00 DCHN H ATOM 108 2HZ LYS D 317 -22.886 -28.680 198.217 1.00 0.00 DCHN H ATOM 109 3HZ LYS D 317 -23.527 -27.153 198.537 1.00 0.00 DCHN H TER 110 LYS D 317 HETATM 111 MN1 OEC 1 -25.001 -35.512 203.873 1.00 22.62 OECXMn2+ HETATM 112 MN2 OEC 1 -27.386 -35.216 205.205 1.00 22.88 OECXMn2+ HETATM 113 MN3 OEC 1 -27.302 -33.249 203.250 1.00 23.49 OECXMn2+ HETATM 114 MN4 OEC 1 -27.634 -33.200 200.360 1.00 26.26 OECXMn2+ HETATM 115 CA1 OEC 1 -27.901 -36.544 202.221 1.00 24.57 OECXCa2+ HETATM 116 O1 OEC 1 -26.549 -36.445 204.159 1.00 22.48 OECX O1- HETATM 117 O2 OEC 1 -28.380 -34.647 203.775 1.00 25.22 OECX O1- HETATM 118 O3 OEC 1 -26.102 -34.104 204.525 1.00 23.27 OECX O1- HETATM 119 O4 OEC 1 -28.414 -32.681 202.010 1.00 26.62 OECX O HETATM 120 O5 OEC 1 -26.511 -34.474 201.942 1.00 24.13 OECX O1- HETATM 121 HO5 OEC 1 -25.737 -34.164 201.447 1.00 0.00 OECX H HETATM 122 CL CL 79 -21.993 -30.646 198.660 1.00 24.70 CLANCl1- HETATM 123 O HOH 0 67 -25.919 -29.300 197.995 1.00 25.08 WATR O HETATM 124 H1 HOH 0 67 -25.768 -30.269 198.033 1.00 0.00 WATR H HETATM 125 H2 HOH 0 67 -26.437 -29.030 198.801 1.00 0.00 WATR H HETATM 126 O HOH 0 68 -24.978 -31.939 197.890 1.00 30.71 WATR O HETATM 127 H1 HOH 0 68 -24.469 -31.808 198.704 1.00 0.00 WATR H HETATM 128 H2 HOH 0 68 -24.325 -31.796 197.177 1.00 0.00 WATR H HETATM 129 O HOH 0 76 -30.379 -30.984 201.779 1.00 23.89 WATR O HETATM 130 H1 HOH 0 76 -29.886 -30.302 201.244 1.00 0.00 WATR H HETATM 131 H2 HOH 0 76 -29.699 -31.699 201.849 1.00 0.00 WATR H HETATM 132 O HOH 0 77 -28.098 -38.941 202.221 1.00 27.39 WATR O HETATM 133 H1 HOH 0 77 -27.906 -39.508 201.454 1.00 0.00 WATR H HETATM 134 H2 HOH 0 77 -28.905 -39.283 202.650 1.00 0.00 WATR H HETATM 135 O HOH 0 78 -27.093 -36.723 199.987 1.00 26.05 WATR O HETATM 136 H1 HOH 0 78 -26.249 -37.193 199.928 1.00 0.00 WATR H HETATM 137 H2 HOH 0 78 -27.058 -35.996 199.321 1.00 0.00 WATR H HETATM 138 O HOH 0 124 -26.590 -34.024 199.153 1.00 29.00 WATR O1- HETATM 139 H1 HOH 0 124 -26.168 -33.414 198.519 1.00 0.00 WATR H HETATM 140 O HOH 0 125 -28.354 -31.684 199.068 1.00 22.35 WATR O HETATM 141 H1 HOH 0 125 -29.173 -31.870 198.579 1.00 0.00 WATR H HETATM 142 H2 HOH 0 125 -28.430 -30.761 199.494 1.00 0.00 WATR H HETATM 143 O HOH 0 539 -29.010 -29.743 203.838 1.00 24.55 WATR O HETATM 144 H1 HOH 0 539 -29.593 -30.190 203.192 1.00 0.00 WATR H HETATM 145 H2 HOH 0 539 -28.363 -30.421 204.082 1.00 0.00 WATR H ENDMDL END