REMARK FILENAME="domain0_1.pdb" REMARK The macromolecule has 91 residues REMARK Trial structure 1 of 20 structures REMARK Molecular dynamics scheme : cartesian; cartesian; minimize REMARK High temperature dynamics : REMARK temp: 2000 steps: 1000 time(ps): 3 REMARK 1st cooling stage : REMARK temp: 2000->0 steps: 1000 time(ps): 5 temp step: 25 REMARK 2nd cooling stage not used: REMARK a total 150000 steps of minimization REMARK VDW scale factors 20 20 0.01 0.003 0.003; 3E-03->4; 1 REMARK 383 NOEs in 3 class(es) with scale factors of 10; 10; 10 REMARK averaging function(s): cent, sum, hbnd: cent REMARK 0 3-bond j-couplings in 0 class(es) with REMARK scale factor(s) of NA REMARK 0 1-bond j-couplings in 0 class(es) with REMARK scale factor(s) of NA REMARK 0 carbon chemical shifts in 0 class(es) with REMARK scale factor(s) of NA REMARK 0 proton chemical shifts in 0 class(es) with REMARK scale factor(s) of NA REMARK 0 diffusion anisotropy restraints in 0 class(es) with REMARK scale factor(s) of NA REMARK 0 susceptability anisotropy restraints in 0 class(es) with REMARK scale factor(s) of NA REMARK 72 dihedral restraints with scale factors of 5; 50; 50 REMARK 0 planarity restraints with a scale factor of NA REMARK NCS restraints not used. REMARK =============================================================== REMARK bond, angles, improp, vdw(<1.6), dihed REMARK violations : 8 97 10 2 98 REMARK RMSD : 0.0158 2.721 1.750 21.487 REMARK =============================================================== REMARK noe, cdih, coup, oneb, carb-a, carb-b, REMARK violations : 93 15 0 0 0 ----- REMARK RMSD : 1.549 6.473 0.000 0.000 0.000 0.000 REMARK 0.2/2 viol.: 152 29 0 REMARK =============================================================== REMARK dani, sani REMARK violations : 0 0 REMARK RMSD : 0.000 0.000 REMARK .2/.1 viol.: 0 0 REMARK =============================================================== REMARK Protons violations, rmsd REMARK all : 0 0.000 REMARK class 1: 0 0.000 REMARK class 2: 0 0.000 REMARK class 3: 0 0.000 REMARK class 4: 0 0.000 REMARK =============================================================== REMARK overall = 6498.06 REMARK bon = 274.972 REMARK ang = 692.074 REMARK imp = 102.649 REMARK vdw = 2622.03 REMARK harm = 0 REMARK noe = 2256.81 REMARK coup = 0 REMARK oneb = 0 REMARK carb = 0 REMARK prot = 0 REMARK dani = 0 REMARK sani = 0 REMARK cdih = 229.771 REMARK ncs = 0 REMARK =============================================================== REMARK DATE:05-May-2019 17:52:42 created by user: jh7x3 REMARK VERSION:1.3 ATOM 1 CB THR 1 30.005 8.789 -3.144 1.00 0.00 C ATOM 2 OG1 THR 1 31.165 8.091 -2.670 1.00 0.00 O ATOM 3 HG1 THR 1 31.150 7.179 -2.970 1.00 0.00 H ATOM 4 CG2 THR 1 30.119 10.293 -2.804 1.00 0.00 C ATOM 5 C THR 1 28.779 7.922 -1.023 1.00 0.00 C ATOM 6 O THR 1 28.381 8.804 -0.253 1.00 0.00 O ATOM 7 HT1 THR 1 26.624 8.385 -2.627 1.00 0.00 H ATOM 8 HT2 THR 1 27.448 9.022 -3.967 1.00 0.00 H ATOM 9 N THR 1 27.472 8.902 -2.935 1.00 0.00 N ATOM 10 HT3 THR 1 27.494 9.836 -2.477 1.00 0.00 H ATOM 11 CA THR 1 28.691 8.131 -2.551 1.00 0.00 C ATOM 12 N ARG 2 29.307 6.753 -0.613 1.00 0.00 N ATOM 13 H ARG 2 29.608 6.102 -1.285 1.00 0.00 H ATOM 14 CA ARG 2 29.501 6.303 0.795 1.00 0.00 C ATOM 15 CB ARG 2 30.516 7.182 1.560 1.00 0.00 C ATOM 16 CG ARG 2 31.956 7.082 1.053 1.00 0.00 C ATOM 17 CD ARG 2 32.912 7.971 1.846 1.00 0.00 C ATOM 18 NE ARG 2 32.692 9.401 1.605 1.00 0.00 N ATOM 19 HE ARG 2 31.980 9.655 0.982 1.00 0.00 H ATOM 20 CZ ARG 2 33.386 10.391 2.169 1.00 0.00 C ATOM 21 NH1 ARG 2 34.371 10.140 3.027 1.00 0.00 N ATOM 22 HH11 ARG 2 34.602 9.196 3.261 1.00 0.00 H ATOM 23 HH12 ARG 2 34.879 10.896 3.439 1.00 0.00 H ATOM 24 NH2 ARG 2 33.092 11.648 1.870 1.00 0.00 N ATOM 25 HH21 ARG 2 32.354 11.849 1.225 1.00 0.00 H ATOM 26 HH22 ARG 2 33.608 12.396 2.288 1.00 0.00 H ATOM 27 C ARG 2 28.228 6.107 1.643 1.00 0.00 C ATOM 28 O ARG 2 28.098 5.084 2.327 1.00 0.00 O ATOM 29 N CYS 3 27.310 7.083 1.590 1.00 0.00 N ATOM 30 H CYS 3 27.453 7.879 1.044 1.00 0.00 H ATOM 31 CA CYS 3 26.036 7.065 2.332 1.00 0.00 C ATOM 32 CB CYS 3 25.846 8.385 3.095 1.00 0.00 C ATOM 33 SG CYS 3 24.434 8.423 4.232 1.00 0.00 S ATOM 34 C CYS 3 24.852 6.831 1.383 1.00 0.00 C ATOM 35 O CYS 3 24.898 7.242 0.218 1.00 0.00 O ATOM 36 N GLY 4 23.810 6.168 1.894 1.00 0.00 N ATOM 37 H GLY 4 23.812 5.853 2.825 1.00 0.00 H ATOM 38 CA GLY 4 22.617 5.874 1.110 1.00 0.00 C ATOM 39 C GLY 4 21.571 5.113 1.906 1.00 0.00 C ATOM 40 O GLY 4 21.923 4.285 2.754 1.00 0.00 O ATOM 41 N CYS 5 20.294 5.400 1.625 1.00 0.00 N ATOM 42 H CYS 5 20.100 6.072 0.936 1.00 0.00 H ATOM 43 CA CYS 5 19.141 4.770 2.287 1.00 0.00 C ATOM 44 CB CYS 5 18.146 5.839 2.762 1.00 0.00 C ATOM 45 SG CYS 5 17.573 6.974 1.472 1.00 0.00 S ATOM 46 C CYS 5 18.430 3.759 1.376 1.00 0.00 C ATOM 47 O CYS 5 17.922 2.739 1.857 1.00 0.00 O ATOM 48 N GLY 6 18.411 4.053 0.073 1.00 0.00 N ATOM 49 H GLY 6 18.831 4.871 -0.272 1.00 0.00 H ATOM 50 CA GLY 6 17.773 3.185 -0.908 1.00 0.00 C ATOM 51 C GLY 6 17.880 3.729 -2.322 1.00 0.00 C ATOM 52 O GLY 6 18.748 4.565 -2.598 1.00 0.00 O ATOM 53 N THR 7 16.994 3.249 -3.206 1.00 0.00 N ATOM 54 H THR 7 16.337 2.586 -2.904 1.00 0.00 H ATOM 55 CA THR 7 16.935 3.650 -4.624 1.00 0.00 C ATOM 56 CB THR 7 16.799 2.392 -5.586 1.00 0.00 C ATOM 57 OG1 THR 7 16.630 2.823 -6.944 1.00 0.00 O ATOM 58 HG1 THR 7 17.402 3.316 -7.233 1.00 0.00 H ATOM 59 CG2 THR 7 15.636 1.459 -5.177 1.00 0.00 C ATOM 60 C THR 7 15.843 4.716 -4.898 1.00 0.00 C ATOM 61 O THR 7 14.765 4.670 -4.292 1.00 0.00 O ATOM 62 N HIS 8 16.153 5.663 -5.796 1.00 0.00 N ATOM 63 H HIS 8 17.028 5.653 -6.243 1.00 0.00 H ATOM 64 CA HIS 8 15.253 6.765 -6.187 1.00 0.00 C ATOM 65 CB HIS 8 15.986 8.120 -6.013 1.00 0.00 C ATOM 66 CG HIS 8 15.077 9.295 -5.777 1.00 0.00 C ATOM 67 CD2 HIS 8 14.805 10.381 -6.541 1.00 0.00 C ATOM 68 ND1 HIS 8 14.337 9.448 -4.623 1.00 0.00 N ATOM 69 HD1 HIS 8 14.319 8.822 -3.869 1.00 0.00 H ATOM 70 CE1 HIS 8 13.649 10.574 -4.686 1.00 0.00 C ATOM 71 NE2 HIS 8 13.916 11.159 -5.840 1.00 0.00 N ATOM 72 HE2 HIS 8 13.540 12.011 -6.146 1.00 0.00 H ATOM 73 C HIS 8 14.767 6.580 -7.646 1.00 0.00 C ATOM 74 O HIS 8 13.985 7.398 -8.153 1.00 0.00 O ATOM 75 N ALA 9 15.197 5.479 -8.279 1.00 0.00 N ATOM 76 H ALA 9 15.781 4.839 -7.816 1.00 0.00 H ATOM 77 CA ALA 9 14.852 5.131 -9.672 1.00 0.00 C ATOM 78 CB ALA 9 15.924 4.217 -10.267 1.00 0.00 C ATOM 79 C ALA 9 13.435 4.531 -9.912 1.00 0.00 C ATOM 80 O ALA 9 12.824 4.857 -10.937 1.00 0.00 O ATOM 81 N PRO 10 12.896 3.656 -8.994 1.00 0.00 N ATOM 82 CD PRO 10 13.517 2.970 -7.836 1.00 0.00 C ATOM 83 CA PRO 10 11.547 3.083 -9.215 1.00 0.00 C ATOM 84 CB PRO 10 11.423 2.051 -8.091 1.00 0.00 C ATOM 85 CG PRO 10 12.825 1.636 -7.847 1.00 0.00 C ATOM 86 C PRO 10 10.377 4.090 -9.158 1.00 0.00 C ATOM 87 O PRO 10 9.350 3.883 -9.813 1.00 0.00 O ATOM 88 N SER 11 10.568 5.178 -8.389 1.00 0.00 N ATOM 89 H SER 11 11.421 5.284 -7.912 1.00 0.00 H ATOM 90 CA SER 11 9.606 6.292 -8.160 1.00 0.00 C ATOM 91 OG SER 11 10.551 7.683 -9.933 1.00 0.00 O ATOM 92 HG SER 11 10.908 8.311 -9.300 1.00 0.00 H ATOM 93 C SER 11 8.268 5.930 -7.483 1.00 0.00 C ATOM 94 O SER 11 7.868 6.596 -6.520 1.00 0.00 O ATOM 95 CB SER 11 9.351 7.109 -9.444 1.00 0.00 C ATOM 96 N ASN 12 7.596 4.886 -7.992 1.00 0.00 N ATOM 97 H ASN 12 7.940 4.394 -8.761 1.00 0.00 H ATOM 98 CA ASN 12 6.304 4.400 -7.472 1.00 0.00 C ATOM 99 CB ASN 12 5.279 4.256 -8.612 1.00 0.00 C ATOM 100 CG ASN 12 4.905 5.591 -9.246 1.00 0.00 C ATOM 101 OD1 ASN 12 5.531 6.031 -10.213 1.00 0.00 O ATOM 102 ND2 ASN 12 3.868 6.233 -8.714 1.00 0.00 N ATOM 103 HD21 ASN 12 3.396 5.832 -7.953 1.00 0.00 H ATOM 104 HD22 ASN 12 3.614 7.092 -9.110 1.00 0.00 H ATOM 105 C ASN 12 6.456 3.058 -6.740 1.00 0.00 C ATOM 106 O ASN 12 7.312 2.246 -7.110 1.00 0.00 O ATOM 107 N CYS 13 5.611 2.842 -5.715 1.00 0.00 N ATOM 108 H CYS 13 4.949 3.532 -5.487 1.00 0.00 H ATOM 109 CA CYS 13 5.546 1.635 -4.844 1.00 0.00 C ATOM 110 CB CYS 13 4.804 0.470 -5.532 1.00 0.00 C ATOM 111 SG CYS 13 5.581 -0.153 -7.044 1.00 0.00 S ATOM 112 C CYS 13 6.859 1.131 -4.207 1.00 0.00 C ATOM 113 O CYS 13 7.880 1.001 -4.895 1.00 0.00 O ATOM 114 N HIS 14 6.810 0.857 -2.895 1.00 0.00 N ATOM 115 H HIS 14 5.975 0.982 -2.392 1.00 0.00 H ATOM 116 CA HIS 14 7.956 0.361 -2.110 1.00 0.00 C ATOM 117 CB HIS 14 8.093 1.150 -0.788 1.00 0.00 C ATOM 118 CG HIS 14 8.471 2.593 -0.966 1.00 0.00 C ATOM 119 CD2 HIS 14 9.595 3.270 -0.624 1.00 0.00 C ATOM 120 ND1 HIS 14 7.630 3.522 -1.543 1.00 0.00 N ATOM 121 HD1 HIS 14 6.734 3.339 -1.896 1.00 0.00 H ATOM 122 CE1 HIS 14 8.217 4.705 -1.550 1.00 0.00 C ATOM 123 NE2 HIS 14 9.410 4.579 -0.998 1.00 0.00 N ATOM 124 HE2 HIS 14 10.060 5.303 -0.875 1.00 0.00 H ATOM 125 C HIS 14 7.858 -1.161 -1.856 1.00 0.00 C ATOM 126 O HIS 14 7.516 -1.607 -0.749 1.00 0.00 O ATOM 127 N ALA 15 8.127 -1.937 -2.916 1.00 0.00 N ATOM 128 H ALA 15 8.366 -1.521 -3.775 1.00 0.00 H ATOM 129 CA ALA 15 8.102 -3.414 -2.923 1.00 0.00 C ATOM 130 CB ALA 15 8.138 -3.928 -4.357 1.00 0.00 C ATOM 131 C ALA 15 9.227 -4.064 -2.101 1.00 0.00 C ATOM 132 O ALA 15 9.003 -5.088 -1.444 1.00 0.00 O ATOM 133 N ARG 16 10.417 -3.445 -2.135 1.00 0.00 N ATOM 134 H ARG 16 10.516 -2.619 -2.660 1.00 0.00 H ATOM 135 CA ARG 16 11.627 -3.911 -1.424 1.00 0.00 C ATOM 136 CB ARG 16 12.866 -3.137 -1.897 1.00 0.00 C ATOM 137 CG ARG 16 13.299 -3.438 -3.328 1.00 0.00 C ATOM 138 CD ARG 16 14.534 -2.639 -3.711 1.00 0.00 C ATOM 139 NE ARG 16 14.967 -2.916 -5.083 1.00 0.00 N ATOM 140 HE ARG 16 14.437 -3.546 -5.616 1.00 0.00 H ATOM 141 CZ ARG 16 16.032 -2.377 -5.676 1.00 0.00 C ATOM 142 NH1 ARG 16 16.321 -2.709 -6.927 1.00 0.00 N ATOM 143 HH11 ARG 16 15.742 -3.358 -7.419 1.00 0.00 H ATOM 144 HH12 ARG 16 17.119 -2.309 -7.379 1.00 0.00 H ATOM 145 NH2 ARG 16 16.814 -1.512 -5.036 1.00 0.00 N ATOM 146 HH21 ARG 16 16.606 -1.254 -4.092 1.00 0.00 H ATOM 147 HH22 ARG 16 17.608 -1.119 -5.498 1.00 0.00 H ATOM 148 C ARG 16 11.521 -3.831 0.109 1.00 0.00 C ATOM 149 O ARG 16 11.993 -4.735 0.805 1.00 0.00 O ATOM 150 N ALA 17 10.877 -2.768 0.613 1.00 0.00 N ATOM 151 H ALA 17 10.505 -2.089 0.009 1.00 0.00 H ATOM 152 CA ALA 17 10.672 -2.526 2.057 1.00 0.00 C ATOM 153 CB ALA 17 10.178 -1.100 2.286 1.00 0.00 C ATOM 154 C ALA 17 9.706 -3.537 2.705 1.00 0.00 C ATOM 155 O ALA 17 10.019 -4.101 3.762 1.00 0.00 O ATOM 156 N CYS 18 8.570 -3.788 2.032 1.00 0.00 N ATOM 157 H CYS 18 8.402 -3.332 1.177 1.00 0.00 H ATOM 158 CA CYS 18 7.525 -4.728 2.487 1.00 0.00 C ATOM 159 CB CYS 18 6.234 -4.548 1.671 1.00 0.00 C ATOM 160 SG CYS 18 6.398 -4.825 -0.109 1.00 0.00 S ATOM 161 C CYS 18 7.995 -6.196 2.457 1.00 0.00 C ATOM 162 O CYS 18 7.669 -6.968 3.366 1.00 0.00 O ATOM 163 N THR 19 8.750 -6.559 1.408 1.00 0.00 N ATOM 164 H THR 19 8.948 -5.886 0.714 1.00 0.00 H ATOM 165 CA THR 19 9.320 -7.911 1.210 1.00 0.00 C ATOM 166 CB THR 19 9.813 -8.128 -0.252 1.00 0.00 C ATOM 167 OG1 THR 19 10.657 -7.039 -0.646 1.00 0.00 O ATOM 168 HG1 THR 19 10.958 -7.177 -1.547 1.00 0.00 H ATOM 169 CG2 THR 19 8.636 -8.242 -1.209 1.00 0.00 C ATOM 170 C THR 19 10.458 -8.270 2.194 1.00 0.00 C ATOM 171 O THR 19 10.503 -9.398 2.703 1.00 0.00 O ATOM 172 N GLU 20 11.346 -7.298 2.462 1.00 0.00 N ATOM 173 H GLU 20 11.238 -6.416 2.041 1.00 0.00 H ATOM 174 CA GLU 20 12.505 -7.446 3.370 1.00 0.00 C ATOM 175 CB GLU 20 13.504 -6.298 3.177 1.00 0.00 C ATOM 176 CG GLU 20 14.403 -6.448 1.954 1.00 0.00 C ATOM 177 CD GLU 20 15.376 -5.294 1.797 1.00 0.00 C ATOM 178 OE1 GLU 20 15.022 -4.302 1.126 1.00 0.00 O ATOM 179 OE2 GLU 20 16.497 -5.381 2.343 1.00 0.00 O ATOM 180 C GLU 20 12.181 -7.607 4.864 1.00 0.00 C ATOM 181 O GLU 20 12.836 -8.404 5.546 1.00 0.00 O ATOM 182 N ARG 21 11.183 -6.859 5.360 1.00 0.00 N ATOM 183 H ARG 21 10.701 -6.222 4.781 1.00 0.00 H ATOM 184 CA ARG 21 10.756 -6.914 6.775 1.00 0.00 C ATOM 185 CB ARG 21 9.905 -5.686 7.172 1.00 0.00 C ATOM 186 CG ARG 21 8.640 -5.383 6.351 1.00 0.00 C ATOM 187 CD ARG 21 7.899 -4.210 6.967 1.00 0.00 C ATOM 188 NE ARG 21 6.652 -3.898 6.267 1.00 0.00 N ATOM 189 HE ARG 21 6.505 -4.310 5.390 1.00 0.00 H ATOM 190 CZ ARG 21 5.697 -3.094 6.733 1.00 0.00 C ATOM 191 NH1 ARG 21 5.815 -2.496 7.915 1.00 0.00 N ATOM 192 HH11 ARG 21 6.632 -2.647 8.472 1.00 0.00 H ATOM 193 HH12 ARG 21 5.087 -1.897 8.247 1.00 0.00 H ATOM 194 NH2 ARG 21 4.614 -2.874 6.002 1.00 0.00 N ATOM 195 HH21 ARG 21 4.518 -3.310 5.107 1.00 0.00 H ATOM 196 HH22 ARG 21 3.893 -2.272 6.345 1.00 0.00 H ATOM 197 C ARG 21 10.084 -8.237 7.201 1.00 0.00 C ATOM 198 O ARG 21 10.284 -8.696 8.330 1.00 0.00 O ATOM 199 N ILE 22 9.301 -8.832 6.279 1.00 0.00 N ATOM 200 H ILE 22 9.188 -8.404 5.402 1.00 0.00 H ATOM 201 CA ILE 22 8.549 -10.118 6.427 1.00 0.00 C ATOM 202 CB ILE 22 9.512 -11.409 6.481 1.00 0.00 C ATOM 203 CG2 ILE 22 8.714 -12.715 6.214 1.00 0.00 C ATOM 204 CG1 ILE 22 10.603 -11.322 5.398 1.00 0.00 C ATOM 205 CD1 ILE 22 12.027 -11.602 5.897 1.00 0.00 C ATOM 206 C ILE 22 7.521 -10.131 7.595 1.00 0.00 C ATOM 207 O ILE 22 7.702 -9.425 8.594 1.00 0.00 O ATOM 208 N GLU 23 6.462 -10.942 7.443 1.00 0.00 N ATOM 209 H GLU 23 6.385 -11.481 6.625 1.00 0.00 H ATOM 210 CA GLU 23 5.372 -11.103 8.429 1.00 0.00 C ATOM 211 CB GLU 23 4.086 -11.626 7.743 1.00 0.00 C ATOM 212 CG GLU 23 4.234 -12.841 6.799 1.00 0.00 C ATOM 213 CD GLU 23 2.915 -13.269 6.185 1.00 0.00 C ATOM 214 OE1 GLU 23 2.231 -14.127 6.781 1.00 0.00 O ATOM 215 OE2 GLU 23 2.563 -12.749 5.105 1.00 0.00 O ATOM 216 C GLU 23 5.736 -11.955 9.669 1.00 0.00 C ATOM 217 O GLU 23 6.712 -12.715 9.633 1.00 0.00 O ATOM 218 N ASP 24 4.942 -11.814 10.747 1.00 0.00 N ATOM 219 H ASP 24 4.179 -11.197 10.702 1.00 0.00 H ATOM 220 CA ASP 24 5.090 -12.510 12.054 1.00 0.00 C ATOM 221 CB ASP 24 4.755 -14.021 11.954 1.00 0.00 C ATOM 222 CG ASP 24 3.300 -14.282 11.579 1.00 0.00 C ATOM 223 OD1 ASP 24 3.001 -14.383 10.369 1.00 0.00 O ATOM 224 OD2 ASP 24 2.457 -14.404 12.496 1.00 0.00 O ATOM 225 C ASP 24 6.450 -12.276 12.784 1.00 0.00 C ATOM 226 O ASP 24 7.436 -12.957 12.466 1.00 0.00 O ATOM 227 N PRO 25 6.542 -11.269 13.718 1.00 0.00 N ATOM 228 CD PRO 25 7.784 -11.259 14.521 1.00 0.00 C ATOM 229 CA PRO 25 5.611 -10.251 14.265 1.00 0.00 C ATOM 230 CB PRO 25 6.419 -9.623 15.407 1.00 0.00 C ATOM 231 CG PRO 25 7.306 -10.724 15.848 1.00 0.00 C ATOM 232 C PRO 25 5.148 -9.172 13.257 1.00 0.00 C ATOM 233 O PRO 25 5.946 -8.706 12.431 1.00 0.00 O ATOM 234 N ARG 26 3.857 -8.817 13.326 1.00 0.00 N ATOM 235 H ARG 26 3.264 -9.228 13.993 1.00 0.00 H ATOM 236 CA ARG 26 3.224 -7.815 12.446 1.00 0.00 C ATOM 237 CB ARG 26 1.913 -8.363 11.860 1.00 0.00 C ATOM 238 CG ARG 26 2.091 -9.508 10.867 1.00 0.00 C ATOM 239 CD ARG 26 0.754 -10.080 10.429 1.00 0.00 C ATOM 240 NE ARG 26 0.918 -11.188 9.485 1.00 0.00 N ATOM 241 HE ARG 26 1.755 -11.230 8.976 1.00 0.00 H ATOM 242 CZ ARG 26 0.020 -12.147 9.262 1.00 0.00 C ATOM 243 NH1 ARG 26 0.286 -13.099 8.378 1.00 0.00 N ATOM 244 HH11 ARG 26 1.156 -13.092 7.886 1.00 0.00 H ATOM 245 HH12 ARG 26 -0.382 -13.822 8.203 1.00 0.00 H ATOM 246 NH2 ARG 26 -1.139 -12.172 9.913 1.00 0.00 N ATOM 247 HH21 ARG 26 -1.349 -11.462 10.586 1.00 0.00 H ATOM 248 HH22 ARG 26 -1.800 -12.900 9.731 1.00 0.00 H ATOM 249 C ARG 26 2.955 -6.489 13.173 1.00 0.00 C ATOM 250 O ARG 26 2.689 -6.488 14.382 1.00 0.00 O ATOM 251 N THR 27 3.033 -5.377 12.426 1.00 0.00 N ATOM 252 H THR 27 3.249 -5.439 11.469 1.00 0.00 H ATOM 253 CA THR 27 2.811 -4.011 12.940 1.00 0.00 C ATOM 254 OG1 THR 27 4.035 -3.136 11.003 1.00 0.00 O ATOM 255 HG1 THR 27 4.706 -2.524 10.692 1.00 0.00 H ATOM 256 CG2 THR 27 5.246 -3.297 13.089 1.00 0.00 C ATOM 257 C THR 27 1.411 -3.466 12.591 1.00 0.00 C ATOM 258 O THR 27 0.880 -3.756 11.510 1.00 0.00 O ATOM 259 CB THR 27 3.902 -3.017 12.426 1.00 0.00 C ATOM 260 N GLU 28 0.827 -2.698 13.529 1.00 0.00 N ATOM 261 H GLU 28 1.303 -2.525 14.372 1.00 0.00 H ATOM 262 CA GLU 28 -0.511 -2.048 13.450 1.00 0.00 C ATOM 263 CB GLU 28 -0.457 -0.720 12.660 1.00 0.00 C ATOM 264 CG GLU 28 0.331 0.395 13.341 1.00 0.00 C ATOM 265 CD GLU 28 0.355 1.677 12.529 1.00 0.00 C ATOM 266 OE1 GLU 28 -0.548 2.519 12.716 1.00 0.00 O ATOM 267 OE2 GLU 28 1.280 1.844 11.705 1.00 0.00 O ATOM 268 C GLU 28 -1.715 -2.903 12.993 1.00 0.00 C ATOM 269 O GLU 28 -2.605 -3.188 13.804 1.00 0.00 O ATOM 270 N ILE 29 -1.732 -3.300 11.709 1.00 0.00 N ATOM 271 H ILE 29 -0.996 -3.050 11.108 1.00 0.00 H ATOM 272 CA ILE 29 -2.812 -4.115 11.108 1.00 0.00 C ATOM 273 CB ILE 29 -3.432 -3.442 9.805 1.00 0.00 C ATOM 274 CG2 ILE 29 -4.968 -3.682 9.803 1.00 0.00 C ATOM 275 CG1 ILE 29 -3.188 -1.918 9.800 1.00 0.00 C ATOM 276 CD1 ILE 29 -3.094 -1.267 8.416 1.00 0.00 C ATOM 277 C ILE 29 -2.289 -5.547 10.814 1.00 0.00 C ATOM 278 O ILE 29 -1.122 -5.840 11.102 1.00 0.00 O ATOM 279 N ASN 30 -3.156 -6.420 10.276 1.00 0.00 N ATOM 280 H ASN 30 -4.074 -6.136 10.074 1.00 0.00 H ATOM 281 CA ASN 30 -2.829 -7.823 9.951 1.00 0.00 C ATOM 282 CB ASN 30 -3.994 -8.737 10.386 1.00 0.00 C ATOM 283 CG ASN 30 -3.548 -10.160 10.728 1.00 0.00 C ATOM 284 OD1 ASN 30 -3.194 -10.457 11.871 1.00 0.00 O ATOM 285 ND2 ASN 30 -3.583 -11.046 9.737 1.00 0.00 N ATOM 286 HD21 ASN 30 -3.301 -11.963 9.938 1.00 0.00 H ATOM 287 HD22 ASN 30 -3.886 -10.760 8.849 1.00 0.00 H ATOM 288 C ASN 30 -2.508 -8.036 8.452 1.00 0.00 C ATOM 289 O ASN 30 -2.976 -7.273 7.602 1.00 0.00 O ATOM 290 N SER 31 -1.709 -9.081 8.168 1.00 0.00 N ATOM 291 H SER 31 -1.372 -9.638 8.905 1.00 0.00 H ATOM 292 CA SER 31 -1.243 -9.530 6.826 1.00 0.00 C ATOM 293 CB SER 31 -2.139 -10.669 6.294 1.00 0.00 C ATOM 294 OG SER 31 -3.488 -10.249 6.177 1.00 0.00 O ATOM 295 HG SER 31 -3.567 -9.541 5.533 1.00 0.00 H ATOM 296 C SER 31 -0.933 -8.480 5.723 1.00 0.00 C ATOM 297 O SER 31 0.066 -7.760 5.839 1.00 0.00 O ATOM 298 N THR 32 -1.784 -8.390 4.685 1.00 0.00 N ATOM 299 H THR 32 -2.586 -8.954 4.663 1.00 0.00 H ATOM 300 CA THR 32 -1.634 -7.454 3.544 1.00 0.00 C ATOM 301 CB THR 32 -2.629 -7.774 2.380 1.00 0.00 C ATOM 302 OG1 THR 32 -3.980 -7.640 2.844 1.00 0.00 O ATOM 303 HG1 THR 32 -4.587 -7.837 2.127 1.00 0.00 H ATOM 304 CG2 THR 32 -2.433 -9.196 1.869 1.00 0.00 C ATOM 305 C THR 32 -1.832 -5.981 3.942 1.00 0.00 C ATOM 306 O THR 32 -1.102 -5.101 3.478 1.00 0.00 O ATOM 307 N HIS 33 -2.771 -5.758 4.870 1.00 0.00 N ATOM 308 H HIS 33 -3.227 -6.537 5.258 1.00 0.00 H ATOM 309 CA HIS 33 -3.164 -4.431 5.381 1.00 0.00 C ATOM 310 CB HIS 33 -4.291 -4.586 6.419 1.00 0.00 C ATOM 311 CG HIS 33 -5.267 -5.694 6.129 1.00 0.00 C ATOM 312 CD2 HIS 33 -5.914 -6.544 6.962 1.00 0.00 C ATOM 313 ND1 HIS 33 -5.677 -6.028 4.854 1.00 0.00 N ATOM 314 HD1 HIS 33 -5.384 -5.591 4.027 1.00 0.00 H ATOM 315 CE1 HIS 33 -6.530 -7.035 4.913 1.00 0.00 C ATOM 316 NE2 HIS 33 -6.691 -7.367 6.181 1.00 0.00 N ATOM 317 HE2 HIS 33 -7.271 -8.084 6.513 1.00 0.00 H ATOM 318 C HIS 33 -1.975 -3.674 5.997 1.00 0.00 C ATOM 319 O HIS 33 -1.797 -2.472 5.761 1.00 0.00 O ATOM 320 N ALA 34 -1.201 -4.397 6.810 1.00 0.00 N ATOM 321 H ALA 34 -1.438 -5.335 6.992 1.00 0.00 H ATOM 322 CA ALA 34 0.013 -3.909 7.473 1.00 0.00 C ATOM 323 CB ALA 34 0.386 -4.825 8.534 1.00 0.00 C ATOM 324 C ALA 34 1.176 -3.720 6.489 1.00 0.00 C ATOM 325 O ALA 34 2.017 -2.837 6.685 1.00 0.00 O ATOM 326 N LEU 35 1.249 -4.611 5.484 1.00 0.00 N ATOM 327 H LEU 35 0.596 -5.345 5.444 1.00 0.00 H ATOM 328 CA LEU 35 2.261 -4.581 4.402 1.00 0.00 C ATOM 329 CB LEU 35 2.030 -5.730 3.403 1.00 0.00 C ATOM 330 CG LEU 35 3.121 -6.822 3.377 1.00 0.00 C ATOM 331 CD1 LEU 35 2.652 -8.125 4.045 1.00 0.00 C ATOM 332 CD2 LEU 35 3.550 -7.093 1.937 1.00 0.00 C ATOM 333 C LEU 35 2.069 -3.255 3.675 1.00 0.00 C ATOM 334 O LEU 35 3.030 -2.613 3.242 1.00 0.00 O ATOM 335 N ALA 36 0.791 -2.871 3.593 1.00 0.00 N ATOM 336 H ALA 36 0.089 -3.449 3.971 1.00 0.00 H ATOM 337 CA ALA 36 0.301 -1.641 2.983 1.00 0.00 C ATOM 338 CB ALA 36 -1.200 -1.701 2.869 1.00 0.00 C ATOM 339 C ALA 36 0.727 -0.419 3.785 1.00 0.00 C ATOM 340 O ALA 36 1.146 0.571 3.188 1.00 0.00 O ATOM 341 N SER 37 0.778 -0.560 5.121 1.00 0.00 N ATOM 342 H SER 37 0.525 -1.428 5.519 1.00 0.00 H ATOM 343 CA SER 37 1.127 0.529 6.065 1.00 0.00 C ATOM 344 CB SER 37 1.190 0.006 7.495 1.00 0.00 C ATOM 345 OG SER 37 -0.063 -0.509 7.909 1.00 0.00 O ATOM 346 HG SER 37 -0.325 -1.257 7.368 1.00 0.00 H ATOM 347 C SER 37 2.445 1.215 5.679 1.00 0.00 C ATOM 348 O SER 37 2.599 2.421 5.898 1.00 0.00 O ATOM 349 N SER 38 3.375 0.436 5.102 1.00 0.00 N ATOM 350 H SER 38 3.218 -0.531 5.022 1.00 0.00 H ATOM 351 CA SER 38 4.659 0.933 4.558 1.00 0.00 C ATOM 352 CB SER 38 5.685 -0.202 4.507 1.00 0.00 C ATOM 353 OG SER 38 5.208 -1.329 3.791 1.00 0.00 O ATOM 354 HG SER 38 5.039 -1.097 2.874 1.00 0.00 H ATOM 355 C SER 38 4.214 1.379 3.143 1.00 0.00 C ATOM 356 O SER 38 3.184 2.058 3.060 1.00 0.00 O ATOM 357 N ILE 39 4.937 1.052 2.049 1.00 0.00 N ATOM 358 H ILE 39 5.790 0.579 2.136 1.00 0.00 H ATOM 359 CA ILE 39 4.483 1.407 0.669 1.00 0.00 C ATOM 360 CB ILE 39 3.344 0.383 0.112 1.00 0.00 C ATOM 361 CG2 ILE 39 2.957 0.707 -1.366 1.00 0.00 C ATOM 362 CG1 ILE 39 3.886 -1.062 0.177 1.00 0.00 C ATOM 363 CD1 ILE 39 2.840 -2.191 0.177 1.00 0.00 C ATOM 364 C ILE 39 4.166 2.932 0.497 1.00 0.00 C ATOM 365 O ILE 39 4.185 3.676 1.489 1.00 0.00 O ATOM 366 N SER 40 4.096 3.416 -0.750 1.00 0.00 N ATOM 367 H SER 40 4.185 2.811 -1.509 1.00 0.00 H ATOM 368 CA SER 40 3.800 4.832 -1.032 1.00 0.00 C ATOM 369 CB SER 40 4.651 5.335 -2.195 1.00 0.00 C ATOM 370 OG SER 40 4.628 4.435 -3.291 1.00 0.00 O ATOM 371 HG SER 40 3.734 4.286 -3.607 1.00 0.00 H ATOM 372 C SER 40 2.314 4.920 -1.404 1.00 0.00 C ATOM 373 O SER 40 1.756 3.968 -1.970 1.00 0.00 O ATOM 374 N ILE 41 1.672 6.022 -0.984 1.00 0.00 N ATOM 375 H ILE 41 2.159 6.741 -0.523 1.00 0.00 H ATOM 376 CA ILE 41 0.228 6.248 -1.172 1.00 0.00 C ATOM 377 CB ILE 41 -0.585 6.158 0.192 1.00 0.00 C ATOM 378 CG2 ILE 41 -1.262 4.826 0.256 1.00 0.00 C ATOM 379 CG1 ILE 41 0.215 6.674 1.431 1.00 0.00 C ATOM 380 CD1 ILE 41 1.450 5.843 1.972 1.00 0.00 C ATOM 381 C ILE 41 -0.375 7.369 -2.030 1.00 0.00 C ATOM 382 O ILE 41 0.161 8.481 -2.114 1.00 0.00 O ATOM 383 N ARG 42 -1.508 7.016 -2.659 1.00 0.00 N ATOM 384 H ARG 42 -1.862 6.103 -2.567 1.00 0.00 H ATOM 385 CA ARG 42 -2.333 7.874 -3.518 1.00 0.00 C ATOM 386 CB ARG 42 -2.620 7.152 -4.843 1.00 0.00 C ATOM 387 CG ARG 42 -2.617 8.077 -6.074 1.00 0.00 C ATOM 388 CD ARG 42 -2.712 7.312 -7.390 1.00 0.00 C ATOM 389 NE ARG 42 -1.497 6.549 -7.693 1.00 0.00 N ATOM 390 HE ARG 42 -0.776 6.557 -7.030 1.00 0.00 H ATOM 391 CZ ARG 42 -1.292 5.839 -8.803 1.00 0.00 C ATOM 392 NH1 ARG 42 -2.216 5.770 -9.757 1.00 0.00 N ATOM 393 HH11 ARG 42 -3.083 6.256 -9.649 1.00 0.00 H ATOM 394 HH12 ARG 42 -2.043 5.233 -10.583 1.00 0.00 H ATOM 395 NH2 ARG 42 -0.147 5.190 -8.961 1.00 0.00 N ATOM 396 HH21 ARG 42 0.555 5.234 -8.251 1.00 0.00 H ATOM 397 HH22 ARG 42 0.014 4.656 -9.791 1.00 0.00 H ATOM 398 C ARG 42 -3.647 8.128 -2.739 1.00 0.00 C ATOM 399 O ARG 42 -4.598 8.716 -3.275 1.00 0.00 O ATOM 400 N ALA 43 -3.644 7.734 -1.454 1.00 0.00 N ATOM 401 H ALA 43 -2.839 7.315 -1.076 1.00 0.00 H ATOM 402 CA ALA 43 -4.777 7.873 -0.514 1.00 0.00 C ATOM 403 CB ALA 43 -4.451 7.178 0.829 1.00 0.00 C ATOM 404 C ALA 43 -5.265 9.335 -0.279 1.00 0.00 C ATOM 405 O ALA 43 -6.482 9.556 -0.263 1.00 0.00 O ATOM 406 N PRO 44 -4.347 10.339 -0.066 1.00 0.00 N ATOM 407 CD PRO 44 -4.851 11.707 -0.314 1.00 0.00 C ATOM 408 CA PRO 44 -2.868 10.389 0.014 1.00 0.00 C ATOM 409 CB PRO 44 -2.527 11.797 -0.500 1.00 0.00 C ATOM 410 CG PRO 44 -3.773 12.275 -1.196 1.00 0.00 C ATOM 411 C PRO 44 -2.314 10.114 1.436 1.00 0.00 C ATOM 412 O PRO 44 -1.968 8.969 1.742 1.00 0.00 O ATOM 413 N SER 45 -2.257 11.152 2.288 1.00 0.00 N ATOM 414 H SER 45 -2.561 12.043 2.012 1.00 0.00 H ATOM 415 CA SER 45 -1.762 11.060 3.675 1.00 0.00 C ATOM 416 OG SER 45 0.573 10.993 2.966 1.00 0.00 O ATOM 417 HG SER 45 0.334 11.098 2.041 1.00 0.00 H ATOM 418 C SER 45 -2.722 11.755 4.656 1.00 0.00 C ATOM 419 O SER 45 -3.152 11.138 5.638 1.00 0.00 O ATOM 420 CB SER 45 -0.353 11.668 3.801 1.00 0.00 C ATOM 421 N GLU 46 -3.047 13.028 4.378 1.00 0.00 N ATOM 422 H GLU 46 -2.679 13.468 3.581 1.00 0.00 H ATOM 423 CA GLU 46 -3.950 13.858 5.203 1.00 0.00 C ATOM 424 CB GLU 46 -3.175 15.010 5.872 1.00 0.00 C ATOM 425 CG GLU 46 -2.192 14.575 6.956 1.00 0.00 C ATOM 426 CD GLU 46 -1.455 15.745 7.583 1.00 0.00 C ATOM 427 OE1 GLU 46 -1.956 16.297 8.585 1.00 0.00 O ATOM 428 OE2 GLU 46 -0.374 16.110 7.075 1.00 0.00 O ATOM 429 C GLU 46 -5.097 14.431 4.354 1.00 0.00 C ATOM 430 O GLU 46 -6.121 14.868 4.900 1.00 0.00 O ATOM 431 N ASP 47 -4.928 14.385 3.024 1.00 0.00 N ATOM 432 H ASP 47 -4.111 13.988 2.649 1.00 0.00 H ATOM 433 CA ASP 47 -5.902 14.894 2.036 1.00 0.00 C ATOM 434 CB ASP 47 -5.165 15.339 0.757 1.00 0.00 C ATOM 435 CG ASP 47 -4.254 16.542 0.982 1.00 0.00 C ATOM 436 OD1 ASP 47 -4.724 17.690 0.819 1.00 0.00 O ATOM 437 OD2 ASP 47 -3.063 16.340 1.306 1.00 0.00 O ATOM 438 C ASP 47 -7.022 13.884 1.694 1.00 0.00 C ATOM 439 O ASP 47 -7.845 14.135 0.799 1.00 0.00 O ATOM 440 N ASN 48 -7.074 12.782 2.456 1.00 0.00 N ATOM 441 H ASN 48 -6.427 12.650 3.183 1.00 0.00 H ATOM 442 CA ASN 48 -8.067 11.700 2.285 1.00 0.00 C ATOM 443 CB ASN 48 -7.479 10.338 2.723 1.00 0.00 C ATOM 444 CG ASN 48 -6.812 10.378 4.105 1.00 0.00 C ATOM 445 OD1 ASN 48 -5.611 10.630 4.221 1.00 0.00 O ATOM 446 ND2 ASN 48 -7.592 10.116 5.150 1.00 0.00 N ATOM 447 HD21 ASN 48 -8.539 9.912 4.999 1.00 0.00 H ATOM 448 HD22 ASN 48 -7.182 10.137 6.040 1.00 0.00 H ATOM 449 C ASN 48 -9.432 11.957 2.960 1.00 0.00 C ATOM 450 O ASN 48 -9.482 12.436 4.100 1.00 0.00 O ATOM 451 N ALA 49 -10.518 11.633 2.235 1.00 0.00 N ATOM 452 H ALA 49 -10.402 11.257 1.335 1.00 0.00 H ATOM 453 CA ALA 49 -11.939 11.783 2.650 1.00 0.00 C ATOM 454 CB ALA 49 -12.344 10.690 3.676 1.00 0.00 C ATOM 455 C ALA 49 -12.379 13.181 3.136 1.00 0.00 C ATOM 456 O ALA 49 -13.141 13.859 2.438 1.00 0.00 O ATOM 457 N ASN 50 -11.876 13.598 4.314 1.00 0.00 N ATOM 458 H ASN 50 -11.269 13.007 4.810 1.00 0.00 H ATOM 459 CA ASN 50 -12.146 14.896 4.994 1.00 0.00 C ATOM 460 CB ASN 50 -11.259 16.032 4.430 1.00 0.00 C ATOM 461 CG ASN 50 -9.773 15.806 4.686 1.00 0.00 C ATOM 462 OD1 ASN 50 -9.074 15.204 3.868 1.00 0.00 O ATOM 463 ND2 ASN 50 -9.282 16.305 5.818 1.00 0.00 N ATOM 464 HD21 ASN 50 -9.880 16.786 6.428 1.00 0.00 H ATOM 465 HD22 ASN 50 -8.329 16.168 5.997 1.00 0.00 H ATOM 466 C ASN 50 -13.618 15.357 5.106 1.00 0.00 C ATOM 467 O ASN 50 -14.166 15.394 6.214 1.00 0.00 O ATOM 468 N ALA 51 -14.235 15.701 3.964 1.00 0.00 N ATOM 469 H ALA 51 -13.751 15.661 3.111 1.00 0.00 H ATOM 470 CA ALA 51 -15.632 16.160 3.886 1.00 0.00 C ATOM 471 CB ALA 51 -15.692 17.604 3.374 1.00 0.00 C ATOM 472 C ALA 51 -16.456 15.243 2.977 1.00 0.00 C ATOM 473 O ALA 51 -15.972 14.813 1.923 1.00 0.00 O ATOM 474 N GLY 52 -17.688 14.946 3.402 1.00 0.00 N ATOM 475 H GLY 52 -18.035 15.299 4.250 1.00 0.00 H ATOM 476 CA GLY 52 -18.583 14.086 2.638 1.00 0.00 C ATOM 477 C GLY 52 -19.645 13.433 3.506 1.00 0.00 C ATOM 478 O GLY 52 -19.329 12.918 4.585 1.00 0.00 O ATOM 479 N ASN 53 -20.896 13.459 3.028 1.00 0.00 N ATOM 480 H ASN 53 -21.063 13.890 2.162 1.00 0.00 H ATOM 481 CA ASN 53 -22.056 12.877 3.723 1.00 0.00 C ATOM 482 CB ASN 53 -23.186 13.923 3.844 1.00 0.00 C ATOM 483 CG ASN 53 -24.099 13.683 5.049 1.00 0.00 C ATOM 484 OD1 ASN 53 -25.110 12.984 4.949 1.00 0.00 O ATOM 485 ND2 ASN 53 -23.750 14.276 6.187 1.00 0.00 N ATOM 486 HD21 ASN 53 -22.941 14.831 6.209 1.00 0.00 H ATOM 487 HD22 ASN 53 -24.323 14.133 6.969 1.00 0.00 H ATOM 488 C ASN 53 -22.547 11.624 2.965 1.00 0.00 C ATOM 489 O ASN 53 -22.802 10.587 3.589 1.00 0.00 O ATOM 490 N THR 54 -22.672 11.741 1.633 1.00 0.00 N ATOM 491 H THR 54 -22.459 12.591 1.190 1.00 0.00 H ATOM 492 CA THR 54 -23.123 10.652 0.743 1.00 0.00 C ATOM 493 CB THR 54 -24.341 11.085 -0.141 1.00 0.00 C ATOM 494 OG1 THR 54 -24.055 12.334 -0.785 1.00 0.00 O ATOM 495 HG1 THR 54 -23.937 13.030 -0.133 1.00 0.00 H ATOM 496 CG2 THR 54 -25.601 11.225 0.705 1.00 0.00 C ATOM 497 C THR 54 -21.980 10.149 -0.160 1.00 0.00 C ATOM 498 O THR 54 -21.831 8.934 -0.350 1.00 0.00 O ATOM 499 N HIS 55 -21.181 11.087 -0.691 1.00 0.00 N ATOM 500 H HIS 55 -21.338 12.038 -0.499 1.00 0.00 H ATOM 501 CA HIS 55 -20.037 10.797 -1.577 1.00 0.00 C ATOM 502 CB HIS 55 -20.214 11.475 -2.964 1.00 0.00 C ATOM 503 CG HIS 55 -20.628 12.921 -2.911 1.00 0.00 C ATOM 504 CD2 HIS 55 -19.971 14.052 -3.270 1.00 0.00 C ATOM 505 ND1 HIS 55 -21.866 13.329 -2.461 1.00 0.00 N ATOM 506 HD1 HIS 55 -22.575 12.739 -2.129 1.00 0.00 H ATOM 507 CE1 HIS 55 -21.955 14.644 -2.543 1.00 0.00 C ATOM 508 NE2 HIS 55 -20.818 15.107 -3.032 1.00 0.00 N ATOM 509 HE2 HIS 55 -20.612 16.050 -3.197 1.00 0.00 H ATOM 510 C HIS 55 -18.685 11.181 -0.947 1.00 0.00 C ATOM 511 O HIS 55 -18.595 12.198 -0.247 1.00 0.00 O ATOM 512 N ALA 56 -17.657 10.359 -1.200 1.00 0.00 N ATOM 513 H ALA 56 -17.789 9.559 -1.754 1.00 0.00 H ATOM 514 CA ALA 56 -16.293 10.566 -0.685 1.00 0.00 C ATOM 515 CB ALA 56 -15.796 9.310 0.036 1.00 0.00 C ATOM 516 C ALA 56 -15.263 11.023 -1.756 1.00 0.00 C ATOM 517 O ALA 56 -14.439 11.890 -1.441 1.00 0.00 O ATOM 518 N PRO 57 -15.265 10.455 -3.013 1.00 0.00 N ATOM 519 CD PRO 57 -14.377 11.161 -3.963 1.00 0.00 C ATOM 520 CA PRO 57 -16.026 9.421 -3.761 1.00 0.00 C ATOM 521 CB PRO 57 -15.480 9.554 -5.186 1.00 0.00 C ATOM 522 CG PRO 57 -15.097 10.978 -5.276 1.00 0.00 C ATOM 523 C PRO 57 -15.847 7.976 -3.247 1.00 0.00 C ATOM 524 O PRO 57 -14.843 7.674 -2.591 1.00 0.00 O ATOM 525 N SER 58 -16.824 7.110 -3.555 1.00 0.00 N ATOM 526 H SER 58 -17.599 7.403 -4.082 1.00 0.00 H ATOM 527 CA SER 58 -16.828 5.693 -3.148 1.00 0.00 C ATOM 528 CB SER 58 -18.209 5.297 -2.609 1.00 0.00 C ATOM 529 OG SER 58 -18.564 6.080 -1.482 1.00 0.00 O ATOM 530 HG SER 58 -18.646 7.006 -1.724 1.00 0.00 H ATOM 531 C SER 58 -16.421 4.745 -4.287 1.00 0.00 C ATOM 532 O SER 58 -16.789 4.974 -5.446 1.00 0.00 O ATOM 533 N ASP 59 -15.664 3.692 -3.928 1.00 0.00 N ATOM 534 H ASP 59 -15.419 3.582 -2.983 1.00 0.00 H ATOM 535 CA ASP 59 -15.125 2.617 -4.808 1.00 0.00 C ATOM 536 CB ASP 59 -15.878 1.276 -4.581 1.00 0.00 C ATOM 537 CG ASP 59 -17.401 1.402 -4.715 1.00 0.00 C ATOM 538 OD1 ASP 59 -18.073 1.668 -3.694 1.00 0.00 O ATOM 539 OD2 ASP 59 -17.921 1.220 -5.837 1.00 0.00 O ATOM 540 C ASP 59 -14.884 2.868 -6.320 1.00 0.00 C ATOM 541 O ASP 59 -15.834 3.125 -7.073 1.00 0.00 O ATOM 542 N ARG 60 -13.609 2.802 -6.729 1.00 0.00 N ATOM 543 H ARG 60 -12.891 2.611 -6.087 1.00 0.00 H ATOM 544 CA ARG 60 -13.177 3.001 -8.127 1.00 0.00 C ATOM 545 CB ARG 60 -12.150 4.157 -8.246 1.00 0.00 C ATOM 546 CG ARG 60 -10.978 4.170 -7.233 1.00 0.00 C ATOM 547 CD ARG 60 -10.043 5.360 -7.447 1.00 0.00 C ATOM 548 NE ARG 60 -9.278 5.266 -8.694 1.00 0.00 N ATOM 549 HE ARG 60 -9.401 4.465 -9.245 1.00 0.00 H ATOM 550 CZ ARG 60 -8.424 6.187 -9.143 1.00 0.00 C ATOM 551 NH1 ARG 60 -7.790 5.987 -10.290 1.00 0.00 N ATOM 552 HH11 ARG 60 -7.954 5.150 -10.812 1.00 0.00 H ATOM 553 HH12 ARG 60 -7.149 6.672 -10.633 1.00 0.00 H ATOM 554 NH2 ARG 60 -8.196 7.306 -8.461 1.00 0.00 N ATOM 555 HH21 ARG 60 -8.668 7.468 -7.594 1.00 0.00 H ATOM 556 HH22 ARG 60 -7.552 7.984 -8.814 1.00 0.00 H ATOM 557 C ARG 60 -12.646 1.701 -8.770 1.00 0.00 C ATOM 558 O ARG 60 -13.078 1.335 -9.870 1.00 0.00 O ATOM 559 N ALA 61 -11.718 1.030 -8.073 1.00 0.00 N ATOM 560 H ALA 61 -11.406 1.372 -7.206 1.00 0.00 H ATOM 561 CA ALA 61 -11.099 -0.232 -8.516 1.00 0.00 C ATOM 562 CB ALA 61 -9.605 -0.026 -8.808 1.00 0.00 C ATOM 563 C ALA 61 -11.289 -1.312 -7.441 1.00 0.00 C ATOM 564 O ALA 61 -11.706 -2.433 -7.757 1.00 0.00 O ATOM 565 N PHE 62 -10.979 -0.958 -6.184 1.00 0.00 N ATOM 566 H PHE 62 -10.647 -0.054 -5.992 1.00 0.00 H ATOM 567 CA PHE 62 -11.099 -1.849 -5.012 1.00 0.00 C ATOM 568 CB PHE 62 -9.698 -2.139 -4.383 1.00 0.00 C ATOM 569 CG PHE 62 -8.615 -2.516 -5.396 1.00 0.00 C ATOM 570 CD1 PHE 62 -8.609 -3.784 -6.029 1.00 0.00 C ATOM 571 CD2 PHE 62 -7.597 -1.594 -5.728 1.00 0.00 C ATOM 572 CE1 PHE 62 -7.609 -4.124 -6.978 1.00 0.00 C ATOM 573 CE2 PHE 62 -6.588 -1.921 -6.675 1.00 0.00 C ATOM 574 CZ PHE 62 -6.595 -3.189 -7.302 1.00 0.00 C ATOM 575 C PHE 62 -12.004 -1.151 -3.989 1.00 0.00 C ATOM 576 O PHE 62 -13.054 -1.684 -3.612 1.00 0.00 O ATOM 577 N THR 63 -11.571 0.045 -3.561 1.00 0.00 N ATOM 578 H THR 63 -10.721 0.391 -3.915 1.00 0.00 H ATOM 579 CA THR 63 -12.234 0.933 -2.582 1.00 0.00 C ATOM 580 CB THR 63 -12.053 0.395 -1.104 1.00 0.00 C ATOM 581 OG1 THR 63 -10.859 -0.391 -1.015 1.00 0.00 O ATOM 582 HG1 THR 63 -10.924 -1.163 -1.584 1.00 0.00 H ATOM 583 CG2 THR 63 -13.250 -0.448 -0.687 1.00 0.00 C ATOM 584 C THR 63 -11.550 2.327 -2.777 1.00 0.00 C ATOM 585 O THR 63 -10.551 2.387 -3.502 1.00 0.00 O ATOM 586 N PRO 64 -12.093 3.461 -2.209 1.00 0.00 N ATOM 587 CD PRO 64 -13.367 3.577 -1.451 1.00 0.00 C ATOM 588 CA PRO 64 -11.516 4.820 -2.334 1.00 0.00 C ATOM 589 CB PRO 64 -12.023 5.481 -1.061 1.00 0.00 C ATOM 590 CG PRO 64 -13.430 5.058 -1.073 1.00 0.00 C ATOM 591 C PRO 64 -9.986 5.046 -2.503 1.00 0.00 C ATOM 592 O PRO 64 -9.486 5.183 -3.625 1.00 0.00 O ATOM 593 N GLU 65 -9.291 5.077 -1.361 1.00 0.00 N ATOM 594 H GLU 65 -9.765 4.916 -0.516 1.00 0.00 H ATOM 595 CA GLU 65 -7.843 5.282 -1.154 1.00 0.00 C ATOM 596 CB GLU 65 -7.561 5.369 0.351 1.00 0.00 C ATOM 597 CG GLU 65 -8.131 6.607 1.044 1.00 0.00 C ATOM 598 CD GLU 65 -7.870 6.616 2.539 1.00 0.00 C ATOM 599 OE1 GLU 65 -8.712 6.086 3.294 1.00 0.00 O ATOM 600 OE2 GLU 65 -6.825 7.155 2.959 1.00 0.00 O ATOM 601 C GLU 65 -6.890 4.267 -1.830 1.00 0.00 C ATOM 602 O GLU 65 -5.738 4.593 -2.140 1.00 0.00 O ATOM 603 N SER 66 -7.432 3.078 -2.112 1.00 0.00 N ATOM 604 H SER 66 -8.399 2.975 -1.958 1.00 0.00 H ATOM 605 CA SER 66 -6.755 1.869 -2.639 1.00 0.00 C ATOM 606 CB SER 66 -7.803 0.817 -2.981 1.00 0.00 C ATOM 607 OG SER 66 -8.923 0.881 -2.131 1.00 0.00 O ATOM 608 HG SER 66 -8.687 0.687 -1.242 1.00 0.00 H ATOM 609 C SER 66 -5.727 1.837 -3.788 1.00 0.00 C ATOM 610 O SER 66 -4.896 0.926 -3.806 1.00 0.00 O ATOM 611 N VAL 67 -5.730 2.801 -4.711 1.00 0.00 N ATOM 612 H VAL 67 -6.366 3.537 -4.575 1.00 0.00 H ATOM 613 CA VAL 67 -4.819 2.794 -5.891 1.00 0.00 C ATOM 614 CB VAL 67 -4.844 4.170 -6.608 1.00 0.00 C ATOM 615 CG1 VAL 67 -4.348 4.042 -8.063 1.00 0.00 C ATOM 616 CG2 VAL 67 -6.254 4.769 -6.613 1.00 0.00 C ATOM 617 C VAL 67 -3.342 2.488 -5.501 1.00 0.00 C ATOM 618 O VAL 67 -2.626 1.804 -6.246 1.00 0.00 O ATOM 619 N MET 68 -2.934 2.984 -4.329 1.00 0.00 N ATOM 620 H MET 68 -3.547 3.535 -3.794 1.00 0.00 H ATOM 621 CA MET 68 -1.607 2.787 -3.724 1.00 0.00 C ATOM 622 CB MET 68 -0.775 4.053 -3.728 1.00 0.00 C ATOM 623 CG MET 68 -0.180 4.394 -5.090 1.00 0.00 C ATOM 624 SD MET 68 0.669 5.986 -5.117 1.00 0.00 S ATOM 625 CE MET 68 2.366 5.464 -5.287 1.00 0.00 C ATOM 626 C MET 68 -1.922 2.359 -2.299 1.00 0.00 C ATOM 627 O MET 68 -2.977 2.736 -1.778 1.00 0.00 O ATOM 628 N CYS 69 -1.039 1.575 -1.673 1.00 0.00 N ATOM 629 H CYS 69 -0.147 1.417 -2.064 1.00 0.00 H ATOM 630 CA CYS 69 -1.326 1.051 -0.337 1.00 0.00 C ATOM 631 CB CYS 69 -1.244 -0.476 -0.380 1.00 0.00 C ATOM 632 SG CYS 69 0.079 -1.131 -1.419 1.00 0.00 S ATOM 633 C CYS 69 -0.621 1.573 0.925 1.00 0.00 C ATOM 634 O CYS 69 0.597 1.737 0.953 1.00 0.00 O ATOM 635 N MET 70 -1.473 1.958 1.893 1.00 0.00 N ATOM 636 H MET 70 -2.397 1.939 1.685 1.00 0.00 H ATOM 637 CA MET 70 -1.179 2.443 3.262 1.00 0.00 C ATOM 638 CB MET 70 -1.434 3.951 3.420 1.00 0.00 C ATOM 639 CG MET 70 -0.688 4.636 4.590 1.00 0.00 C ATOM 640 SD MET 70 -1.251 4.216 6.259 1.00 0.00 S ATOM 641 CE MET 70 -1.405 5.851 6.982 1.00 0.00 C ATOM 642 C MET 70 -2.169 1.595 4.113 1.00 0.00 C ATOM 643 O MET 70 -2.208 0.383 3.937 1.00 0.00 O ATOM 644 N HIS 71 -2.988 2.203 4.985 1.00 0.00 N ATOM 645 H HIS 71 -3.006 3.177 5.089 1.00 0.00 H ATOM 646 CA HIS 71 -3.907 1.413 5.826 1.00 0.00 C ATOM 647 CB HIS 71 -4.019 2.150 7.166 1.00 0.00 C ATOM 648 CG HIS 71 -4.664 3.509 7.086 1.00 0.00 C ATOM 649 CD2 HIS 71 -5.741 4.021 7.730 1.00 0.00 C ATOM 650 ND1 HIS 71 -4.196 4.518 6.269 1.00 0.00 N ATOM 651 HD1 HIS 71 -3.426 4.456 5.667 1.00 0.00 H ATOM 652 CE1 HIS 71 -4.955 5.590 6.413 1.00 0.00 C ATOM 653 NE2 HIS 71 -5.899 5.314 7.294 1.00 0.00 N ATOM 654 HE2 HIS 71 -6.600 5.932 7.589 1.00 0.00 H ATOM 655 C HIS 71 -5.297 0.746 5.526 1.00 0.00 C ATOM 656 O HIS 71 -5.352 -0.486 5.496 1.00 0.00 O ATOM 657 N VAL 72 -6.373 1.518 5.266 1.00 0.00 N ATOM 658 H VAL 72 -6.262 2.491 5.211 1.00 0.00 H ATOM 659 CA VAL 72 -7.737 0.939 5.053 1.00 0.00 C ATOM 660 CB VAL 72 -8.807 1.878 5.771 1.00 0.00 C ATOM 661 CG1 VAL 72 -8.920 3.258 5.088 1.00 0.00 C ATOM 662 CG2 VAL 72 -10.176 1.191 5.936 1.00 0.00 C ATOM 663 C VAL 72 -8.311 0.385 3.710 1.00 0.00 C ATOM 664 O VAL 72 -8.540 -0.820 3.572 1.00 0.00 O ATOM 665 N ASP 73 -8.477 1.276 2.724 1.00 0.00 N ATOM 666 H ASP 73 -8.239 2.216 2.891 1.00 0.00 H ATOM 667 CA ASP 73 -8.992 0.963 1.374 1.00 0.00 C ATOM 668 CG ASP 73 -10.397 3.091 1.352 1.00 0.00 C ATOM 669 OD1 ASP 73 -11.606 2.845 1.147 1.00 0.00 O ATOM 670 OD2 ASP 73 -10.016 4.005 2.116 1.00 0.00 O ATOM 671 C ASP 73 -7.812 0.273 0.717 1.00 0.00 C ATOM 672 O ASP 73 -7.925 -0.610 -0.132 1.00 0.00 O ATOM 673 CB ASP 73 -9.340 2.255 0.632 1.00 0.00 C ATOM 674 N LEU 74 -6.672 0.794 1.149 1.00 0.00 N ATOM 675 H LEU 74 -6.780 1.494 1.814 1.00 0.00 H ATOM 676 CA LEU 74 -5.307 0.448 0.808 1.00 0.00 C ATOM 677 CB LEU 74 -4.419 1.379 1.616 1.00 0.00 C ATOM 678 CG LEU 74 -4.615 2.910 1.869 1.00 0.00 C ATOM 679 CD1 LEU 74 -4.535 3.697 0.596 1.00 0.00 C ATOM 680 CD2 LEU 74 -5.823 3.303 2.735 1.00 0.00 C ATOM 681 C LEU 74 -5.012 -1.012 1.149 1.00 0.00 C ATOM 682 O LEU 74 -4.145 -1.638 0.534 1.00 0.00 O ATOM 683 N GLN 75 -5.668 -1.492 2.212 1.00 0.00 N ATOM 684 H GLN 75 -6.212 -0.879 2.767 1.00 0.00 H ATOM 685 CA GLN 75 -5.575 -2.871 2.708 1.00 0.00 C ATOM 686 CB GLN 75 -6.362 -2.959 4.025 1.00 0.00 C ATOM 687 CG GLN 75 -7.729 -3.687 4.052 1.00 0.00 C ATOM 688 CD GLN 75 -8.401 -3.628 5.412 1.00 0.00 C ATOM 689 OE1 GLN 75 -8.141 -4.458 6.282 1.00 0.00 O ATOM 690 NE2 GLN 75 -9.276 -2.645 5.599 1.00 0.00 N ATOM 691 HE21 GLN 75 -9.458 -2.014 4.873 1.00 0.00 H ATOM 692 HE22 GLN 75 -9.712 -2.592 6.475 1.00 0.00 H ATOM 693 C GLN 75 -6.129 -3.812 1.630 1.00 0.00 C ATOM 694 O GLN 75 -5.595 -4.902 1.395 1.00 0.00 O ATOM 695 N VAL 76 -7.205 -3.338 0.991 1.00 0.00 N ATOM 696 H VAL 76 -7.565 -2.463 1.304 1.00 0.00 H ATOM 697 CA VAL 76 -7.918 -4.017 -0.101 1.00 0.00 C ATOM 698 CB VAL 76 -9.245 -3.267 -0.444 1.00 0.00 C ATOM 699 CG1 VAL 76 -10.177 -4.153 -1.292 1.00 0.00 C ATOM 700 CG2 VAL 76 -9.980 -2.844 0.832 1.00 0.00 C ATOM 701 C VAL 76 -6.970 -4.005 -1.318 1.00 0.00 C ATOM 702 O VAL 76 -6.824 -5.018 -2.014 1.00 0.00 O ATOM 703 N ALA 77 -6.278 -2.869 -1.488 1.00 0.00 N ATOM 704 H ALA 77 -6.417 -2.127 -0.854 1.00 0.00 H ATOM 705 CA ALA 77 -5.308 -2.613 -2.563 1.00 0.00 C ATOM 706 CB ALA 77 -4.766 -1.236 -2.417 1.00 0.00 C ATOM 707 C ALA 77 -4.150 -3.578 -2.429 1.00 0.00 C ATOM 708 O ALA 77 -3.810 -4.280 -3.381 1.00 0.00 O ATOM 709 N MET 78 -3.651 -3.680 -1.191 1.00 0.00 N ATOM 710 H MET 78 -4.067 -3.201 -0.448 1.00 0.00 H ATOM 711 CA MET 78 -2.522 -4.528 -0.834 1.00 0.00 C ATOM 712 CB MET 78 -1.954 -4.184 0.542 1.00 0.00 C ATOM 713 CG MET 78 -0.407 -4.296 0.601 1.00 0.00 C ATOM 714 SD MET 78 0.318 -5.944 0.423 1.00 0.00 S ATOM 715 CE MET 78 1.592 -5.607 -0.788 1.00 0.00 C ATOM 716 C MET 78 -2.801 -6.024 -1.021 1.00 0.00 C ATOM 717 O MET 78 -1.871 -6.774 -1.299 1.00 0.00 O ATOM 718 N SER 79 -4.059 -6.449 -0.830 1.00 0.00 N ATOM 719 H SER 79 -4.746 -5.809 -0.531 1.00 0.00 H ATOM 720 CA SER 79 -4.480 -7.852 -1.031 1.00 0.00 C ATOM 721 CB SER 79 -5.973 -8.007 -0.718 1.00 0.00 C ATOM 722 OG SER 79 -6.377 -9.367 -0.761 1.00 0.00 O ATOM 723 HG SER 79 -7.314 -9.429 -0.561 1.00 0.00 H ATOM 724 C SER 79 -4.178 -8.206 -2.504 1.00 0.00 C ATOM 725 O SER 79 -3.573 -9.249 -2.791 1.00 0.00 O ATOM 726 N SER 80 -4.555 -7.287 -3.406 1.00 0.00 N ATOM 727 H SER 80 -5.040 -6.480 -3.096 1.00 0.00 H ATOM 728 CA SER 80 -4.321 -7.388 -4.859 1.00 0.00 C ATOM 729 CB SER 80 -5.183 -6.373 -5.610 1.00 0.00 C ATOM 730 OG SER 80 -6.562 -6.597 -5.371 1.00 0.00 O ATOM 731 HG SER 80 -6.773 -6.462 -4.444 1.00 0.00 H ATOM 732 C SER 80 -2.835 -7.201 -5.235 1.00 0.00 C ATOM 733 O SER 80 -2.311 -7.931 -6.083 1.00 0.00 O ATOM 734 N ILE 81 -2.172 -6.237 -4.574 1.00 0.00 N ATOM 735 H ILE 81 -2.650 -5.730 -3.885 1.00 0.00 H ATOM 736 CA ILE 81 -0.745 -5.887 -4.779 1.00 0.00 C ATOM 737 CB ILE 81 -0.383 -4.466 -4.100 1.00 0.00 C ATOM 738 CG2 ILE 81 1.145 -4.171 -4.132 1.00 0.00 C ATOM 739 CG1 ILE 81 -1.223 -3.300 -4.700 1.00 0.00 C ATOM 740 CD1 ILE 81 -0.973 -2.843 -6.196 1.00 0.00 C ATOM 741 C ILE 81 0.191 -7.024 -4.292 1.00 0.00 C ATOM 742 O ILE 81 1.217 -7.281 -4.927 1.00 0.00 O ATOM 743 N LEU 82 -0.183 -7.685 -3.184 1.00 0.00 N ATOM 744 H LEU 82 -1.028 -7.447 -2.761 1.00 0.00 H ATOM 745 CA LEU 82 0.567 -8.804 -2.569 1.00 0.00 C ATOM 746 CB LEU 82 0.071 -9.060 -1.120 1.00 0.00 C ATOM 747 CG LEU 82 0.721 -10.112 -0.188 1.00 0.00 C ATOM 748 CD1 LEU 82 1.027 -9.512 1.160 1.00 0.00 C ATOM 749 CD2 LEU 82 -0.170 -11.352 -0.038 1.00 0.00 C ATOM 750 C LEU 82 0.530 -10.088 -3.429 1.00 0.00 C ATOM 751 O LEU 82 1.529 -10.817 -3.485 1.00 0.00 O ATOM 752 N SER 83 -0.620 -10.357 -4.070 1.00 0.00 N ATOM 753 H SER 83 -1.405 -9.771 -3.934 1.00 0.00 H ATOM 754 CA SER 83 -0.806 -11.523 -4.959 1.00 0.00 C ATOM 755 CB SER 83 -2.276 -11.668 -5.382 1.00 0.00 C ATOM 756 OG SER 83 -2.779 -10.486 -5.982 1.00 0.00 O ATOM 757 HG SER 83 -2.298 -10.290 -6.790 1.00 0.00 H ATOM 758 C SER 83 0.106 -11.314 -6.181 1.00 0.00 C ATOM 759 O SER 83 0.672 -12.273 -6.715 1.00 0.00 O ATOM 760 N LYS 84 0.208 -10.044 -6.605 1.00 0.00 N ATOM 761 H LYS 84 -0.339 -9.345 -6.169 1.00 0.00 H ATOM 762 CA LYS 84 1.068 -9.577 -7.712 1.00 0.00 C ATOM 763 CB LYS 84 0.690 -8.147 -8.122 1.00 0.00 C ATOM 764 CG LYS 84 -0.642 -8.026 -8.855 1.00 0.00 C ATOM 765 CD LYS 84 -0.939 -6.582 -9.225 1.00 0.00 C ATOM 766 CE LYS 84 -2.267 -6.461 -9.956 1.00 0.00 C ATOM 767 NZ LYS 84 -2.572 -5.051 -10.324 1.00 0.00 N ATOM 768 HZ1 LYS 84 -1.823 -4.686 -10.946 1.00 0.00 H ATOM 769 HZ2 LYS 84 -2.621 -4.471 -9.463 1.00 0.00 H ATOM 770 HZ3 LYS 84 -3.485 -5.013 -10.820 1.00 0.00 H ATOM 771 C LYS 84 2.556 -9.623 -7.300 1.00 0.00 C ATOM 772 O LYS 84 3.414 -10.015 -8.099 1.00 0.00 O ATOM 773 N LEU 85 2.821 -9.229 -6.042 1.00 0.00 N ATOM 774 H LEU 85 2.075 -8.963 -5.462 1.00 0.00 H ATOM 775 CA LEU 85 4.159 -9.178 -5.412 1.00 0.00 C ATOM 776 CB LEU 85 4.105 -8.345 -4.095 1.00 0.00 C ATOM 777 CG LEU 85 4.727 -6.948 -3.799 1.00 0.00 C ATOM 778 CD1 LEU 85 6.257 -7.005 -3.679 1.00 0.00 C ATOM 779 CD2 LEU 85 4.292 -5.849 -4.785 1.00 0.00 C ATOM 780 C LEU 85 4.818 -10.545 -5.146 1.00 0.00 C ATOM 781 O LEU 85 6.038 -10.679 -5.292 1.00 0.00 O ATOM 782 N THR 86 4.000 -11.539 -4.767 1.00 0.00 N ATOM 783 H THR 86 3.036 -11.369 -4.693 1.00 0.00 H ATOM 784 CA THR 86 4.449 -12.916 -4.463 1.00 0.00 C ATOM 785 CB THR 86 3.587 -13.565 -3.334 1.00 0.00 C ATOM 786 OG1 THR 86 2.195 -13.432 -3.650 1.00 0.00 O ATOM 787 HG1 THR 86 1.668 -13.832 -2.954 1.00 0.00 H ATOM 788 CG2 THR 86 3.870 -12.907 -1.988 1.00 0.00 C ATOM 789 C THR 86 4.463 -13.840 -5.697 1.00 0.00 C ATOM 790 O THR 86 5.335 -14.713 -5.812 1.00 0.00 O ATOM 791 N GLY 87 3.521 -13.613 -6.618 1.00 0.00 N ATOM 792 H GLY 87 2.862 -12.894 -6.505 1.00 0.00 H ATOM 793 CA GLY 87 3.420 -14.412 -7.833 1.00 0.00 C ATOM 794 C GLY 87 2.358 -13.896 -8.788 1.00 0.00 C ATOM 795 O GLY 87 2.234 -12.680 -8.976 1.00 0.00 O ATOM 796 N LYS 88 1.600 -14.826 -9.383 1.00 0.00 N ATOM 797 H LYS 88 1.764 -15.772 -9.178 1.00 0.00 H ATOM 798 CA LYS 88 0.520 -14.524 -10.339 1.00 0.00 C ATOM 799 CB LYS 88 0.660 -15.372 -11.628 1.00 0.00 C ATOM 800 CG LYS 88 0.933 -16.882 -11.452 1.00 0.00 C ATOM 801 CD LYS 88 1.054 -17.584 -12.801 1.00 0.00 C ATOM 802 CE LYS 88 1.325 -19.079 -12.651 1.00 0.00 C ATOM 803 NZ LYS 88 2.679 -19.389 -12.101 1.00 0.00 N ATOM 804 HZ1 LYS 88 3.408 -19.003 -12.735 1.00 0.00 H ATOM 805 HZ2 LYS 88 2.795 -20.420 -12.026 1.00 0.00 H ATOM 806 HZ3 LYS 88 2.777 -18.959 -11.159 1.00 0.00 H ATOM 807 C LYS 88 -0.893 -14.654 -9.737 1.00 0.00 C ATOM 808 O LYS 88 -1.760 -13.813 -10.005 1.00 0.00 O ATOM 809 N ASP 89 -1.098 -15.704 -8.920 1.00 0.00 N ATOM 810 H ASP 89 -0.358 -16.327 -8.746 1.00 0.00 H ATOM 811 CA ASP 89 -2.363 -16.054 -8.215 1.00 0.00 C ATOM 812 CB ASP 89 -2.684 -15.039 -7.086 1.00 0.00 C ATOM 813 CG ASP 89 -3.331 -15.688 -5.860 1.00 0.00 C ATOM 814 OD1 ASP 89 -4.578 -15.767 -5.811 1.00 0.00 O ATOM 815 OD2 ASP 89 -2.591 -16.105 -4.942 1.00 0.00 O ATOM 816 C ASP 89 -3.598 -16.272 -9.123 1.00 0.00 C ATOM 817 O ASP 89 -3.839 -15.488 -10.049 1.00 0.00 O ATOM 818 N ASP 90 -4.369 -17.333 -8.821 1.00 0.00 N ATOM 819 H ASP 90 -4.121 -17.904 -8.061 1.00 0.00 H ATOM 820 CA ASP 90 -5.606 -17.771 -9.525 1.00 0.00 C ATOM 821 CB ASP 90 -6.802 -16.831 -9.210 1.00 0.00 C ATOM 822 CG ASP 90 -8.143 -17.565 -9.142 1.00 0.00 C ATOM 823 OD1 ASP 90 -8.524 -18.018 -8.040 1.00 0.00 O ATOM 824 OD2 ASP 90 -8.820 -17.675 -10.187 1.00 0.00 O ATOM 825 C ASP 90 -5.465 -18.012 -11.050 1.00 0.00 C ATOM 826 O ASP 90 -5.583 -19.157 -11.501 1.00 0.00 O ATOM 827 N THR 91 -5.192 -16.937 -11.814 1.00 0.00 N ATOM 828 H THR 91 -5.113 -16.057 -11.389 1.00 0.00 H ATOM 829 CA THR 91 -5.012 -16.905 -13.295 1.00 0.00 C ATOM 830 CB THR 91 -3.601 -17.433 -13.760 1.00 0.00 C ATOM 831 OG1 THR 91 -3.379 -18.750 -13.239 1.00 0.00 O ATOM 832 HG1 THR 91 -3.361 -18.732 -12.279 1.00 0.00 H ATOM 833 CG2 THR 91 -2.491 -16.502 -13.286 1.00 0.00 C ATOM 834 C THR 91 -6.118 -17.534 -14.165 1.00 0.00 C ATOM 835 O THR 91 -6.575 -18.657 -13.856 1.00 0.00 O ATOM 836 OXT THR 91 -6.530 -16.875 -15.145 1.00 0.00 O END