******************************************************************************* ** Site#: 28262 E-mail support: MrMOPAC@ATT.net Version 17.275W 64BITS ** ******************************************************************************* ** Cite this program as: MOPAC2016, Version: 17.275W, James J. P. Stewart, ** ** Stewart Computational Chemistry, web-site: HTTP://OpenMOPAC.net. ** ******************************************************************************* ** ** ** MOPAC2016 ** ** ** ******************************************************************************* PM7 CALCULATION RESULTS ******************************************************************************* * CALCULATION DONE: Mon Oct 02 14:34:02 2017 * * START_RES - STARTING RESIDUE NUMBERS DEFINED * Keyword: START_RES=(3A 1157A-2001) * CHAINS - PDB CHAIN LETTERS EXPLICITLY DEFINED * Keyword: CHAINS=(AA) * SETPI - SOME OR ALL PI BONDS EXPLICITLY SET BY USER * MOZYME - USE LOCALIZED M.O.s IN SOLVING THE SCF EQUATIONS * OPT - OPTIMIZE COORDINATES OF ALL ATOMS WITHIN * 5 ANGSTROMS OF ATOMS WITH PDB LABEL "*1157" * * * * CHARGE ON SYSTEM = -1 * * * * EPS= 78.40 - USE ANDREAS KLAMT'S COSMO IMPLICIT SOLVATION MODEL * T= - A TIME OF 2.0 WEEKS REQUESTED * DUMP=N - RESTART FILE WRITTEN EVERY 7200.000 SECONDS * GNORM= - EXIT WHEN GRADIENT NORM DROPS BELOW 2.00 * OUTPUT - MINIMIZE OUTPUT * GRADIENTS - ALL GRADIENTS TO BE PRINTED * HTML - WRITE HTML SCRIPT TO READ PDB FILE USING JSMOL ******************************************************************************* START_RES=(3A 1157A-2001) CHAINS=(AA) MOZYME output charge=-1 eps=78.4 HTML setpi T=2w gnorm=2 opt=("*1157"=5) gradients Step 5 - MTH1 Chain A + 8OG Optimized with Bias=3, now optimize 5 Angstroms around 8OG without bias Keyword SETPI used, pi-bonds specified are: Bond No. Atom to Atom 1 "HETATM 2500 C6 8OG A1157" - "HETATM 2502 N1 8OG A1157" General Reference for PM7: "Optimization of Parameters for Semiempirical Methods VI: More Modifications to the NDDO Approximations and Re-optimization of Parameters", J. J. P. Stewart, J. Mol. Mod., 1:32, 19 (2013) http://www.springerlink.com/openurl.asp?genre=article&id=doi:10.1007/s00894-012-1667-x Empirical Formula: C817 H1514 N214 O382 S8 P = 2936 atoms Ion Atom No. Label Charge (Distances are between charged sites predicted by Lewis structure theory) 1 N 346 (ATOM 346 NZ LYS A 23) +1 (4.8 Angstroms from anion O 2508, Label: HETATM 2509 OP1 8OG A1157) 2 N 368 (ATOM 368 NZ LYS A 24) +1 (2.6 Angstroms from anion O 1470, Label: ATOM 1470 OE2 GLU A 97) 3 C 464 (ATOM 464 CZ ARG A 31) +1 (5.9 Angstroms from anion O 2263, Label: ATOM 2263 OD2 ASP A 143) 4 C 737 (ATOM 737 CZ ARG A 50) +1 (3.4 Angstroms from anion O 692, Label: ATOM 692 OE2 GLU A 46) 5 C 761 (ATOM 761 CZ ARG A 51) +1 (3.5 Angstroms from anion O 644, Label: ATOM 644 OE2 GLU A 43) 6 C 1281 (ATOM 1281 CE1 HIS A 84) +1 (3.2 Angstroms from anion O 1251, Label: ATOM 1251 OD2 ASP A 82) 7 C 2116 (ATOM 2116 CE1 HIS A 134) +1 (5.4 Angstroms from anion O 2475, Label: ATOM 2475 OXT VAL A 156) 8 N 2181 (ATOM 2181 NZ LYS A 138) +1 (3.7 Angstroms from anion O 2327, Label: ATOM 2327 OD2 ASP A 147) 1 O 644 (ATOM 644 OE2 GLU A 43) -1 (3.5 Angstroms from cation C 761, Label: ATOM 761 CZ ARG A 51) 2 O 692 (ATOM 692 OE2 GLU A 46) -1 (3.4 Angstroms from cation C 737, Label: ATOM 737 CZ ARG A 50) 3 O 1251 (ATOM 1251 OD2 ASP A 82) -1 (3.2 Angstroms from cation C 1281, Label: ATOM 1281 CE1 HIS A 84) 4 O 1470 (ATOM 1470 OE2 GLU A 97) -1 (2.6 Angstroms from cation N 368, Label: ATOM 368 NZ LYS A 24) 5 O 2263 (ATOM 2263 OD2 ASP A 143) -1 (5.9 Angstroms from cation C 464, Label: ATOM 464 CZ ARG A 31) 6 O 2327 (ATOM 2327 OD2 ASP A 147) -1 (3.7 Angstroms from cation N 2181, Label: ATOM 2181 NZ LYS A 138) 7 O 2475 (ATOM 2475 OXT VAL A 156) -1 (5.4 Angstroms from cation C 2116, Label: ATOM 2116 CE1 HIS A 134) 8 O 2500 (HETATM 2501 O6 8OG A1157) -1 (7.3 Angstroms from cation C 464, Label: ATOM 464 CZ ARG A 31) 9 O 2508 (HETATM 2509 OP1 8OG A1157) -1 (4.8 Angstroms from cation N 346, Label: ATOM 346 NZ LYS A 23) COMPUTED CHARGE ON SYSTEM: -1, THIS AGREES WITH THE CHARGE DEFINED BY KEYWORD "CHARGE" Geometry optimization using L-BFGS CYCLE: 1 TIME: 277.941 TIME LEFT: 2.00W GRAD.: 13.537 HEAT: -24432.66 CYCLE: 2 TIME: 127.859 TIME LEFT: 2.00W GRAD.: 13.301 HEAT: -24432.68 CYCLE: 3 TIME: 115.266 TIME LEFT: 2.00W GRAD.: 12.704 HEAT: -24432.80 CYCLE: 4 TIME: 120.527 TIME LEFT: 2.00W GRAD.: 13.404 HEAT: -24432.67 CYCLE: 5 TIME: 107.098 TIME LEFT: 2.00W GRAD.: 12.723 HEAT: -24432.80 CYCLE: 6 TIME: 112.914 TIME LEFT: 2.00W GRAD.: 13.484 HEAT: -24433.03 CYCLE: 7 TIME: 126.844 TIME LEFT: 2.00W GRAD.: 29.763 HEAT: -24433.65 CYCLE: 8 TIME: 100.793 TIME LEFT: 2.00W GRAD.: 39.765 HEAT: -24433.85 CYCLE: 9 TIME: 103.195 TIME LEFT: 2.00W GRAD.: 19.016 HEAT: -24434.15 CYCLE: 10 TIME: 101.508 TIME LEFT: 2.00W GRAD.: 14.718 HEAT: -24434.49 CYCLE: 11 TIME: 102.555 TIME LEFT: 2.00W GRAD.: 20.121 HEAT: -24434.89 CYCLE: 12 TIME: 99.449 TIME LEFT: 2.00W GRAD.: 29.280 HEAT: -24435.23 CYCLE: 13 TIME: 104.426 TIME LEFT: 2.00W GRAD.: 21.946 HEAT: -24435.51 CYCLE: 14 TIME: 104.398 TIME LEFT: 2.00W GRAD.: 17.143 HEAT: -24435.63 CYCLE: 15 TIME: 98.043 TIME LEFT: 2.00W GRAD.: 20.110 HEAT: -24436.08 CYCLE: 16 TIME: 104.910 TIME LEFT: 2.00W GRAD.: 35.141 HEAT: -24436.30 CYCLE: 17 TIME: 99.965 TIME LEFT: 2.00W GRAD.: 18.736 HEAT: -24436.52 CYCLE: 18 TIME: 95.727 TIME LEFT: 2.00W GRAD.: 18.352 HEAT: -24436.86 CYCLE: 19 TIME: 103.539 TIME LEFT: 2.00W GRAD.: 19.819 HEAT: -24437.40 CYCLE: 20 TIME: 97.703 TIME LEFT: 2.00W GRAD.: 22.927 HEAT: -24437.46 CYCLE: 21 TIME: 99.199 TIME LEFT: 2.00W GRAD.: 58.953 HEAT: -24437.67 CYCLE: 22 TIME: 97.797 TIME LEFT: 2.00W GRAD.: 18.814 HEAT: -24438.10 CYCLE: 23 TIME: 100.137 TIME LEFT: 2.00W GRAD.: 14.905 HEAT: -24438.48 CYCLE: 24 TIME: 100.309 TIME LEFT: 2.00W GRAD.: 22.941 HEAT: -24438.61 CYCLE: 25 TIME: 98.605 TIME LEFT: 2.00W GRAD.: 29.468 HEAT: -24438.85 CYCLE: 26 TIME: 103.570 TIME LEFT: 2.00W GRAD.: 18.017 HEAT: -24439.08 CYCLE: 27 TIME: 96.781 TIME LEFT: 2.00W GRAD.: 22.040 HEAT: -24439.33 CYCLE: 28 TIME: 100.465 TIME LEFT: 1.99W GRAD.: 19.564 HEAT: -24439.69 CYCLE: 29 TIME: 102.445 TIME LEFT: 1.99W GRAD.: 19.462 HEAT: -24439.86 CYCLE: 30 TIME: 96.828 TIME LEFT: 1.99W GRAD.: 20.014 HEAT: -24440.03 CYCLE: 31 TIME: 118.266 TIME LEFT: 1.99W GRAD.: 13.670 HEAT: -24440.20 CYCLE: 32 TIME: 100.730 TIME LEFT: 1.99W GRAD.: 14.372 HEAT: -24440.35 CYCLE: 33 TIME: 92.133 TIME LEFT: 1.99W GRAD.: 16.952 HEAT: -24440.54 CYCLE: 34 TIME: 100.762 TIME LEFT: 1.99W GRAD.: 17.734 HEAT: -24440.78 CYCLE: 35 TIME: 100.914 TIME LEFT: 1.99W GRAD.: 12.272 HEAT: -24440.93 CYCLE: 36 TIME: 101.512 TIME LEFT: 1.99W GRAD.: 12.997 HEAT: -24441.10 CYCLE: 37 TIME: 98.590 TIME LEFT: 1.99W GRAD.: 17.319 HEAT: -24441.28 CYCLE: 38 TIME: 104.117 TIME LEFT: 1.99W GRAD.: 9.692 HEAT: -24441.44 CYCLE: 39 TIME: 102.742 TIME LEFT: 1.99W GRAD.: 11.095 HEAT: -24441.52 CYCLE: 40 TIME: 97.531 TIME LEFT: 1.99W GRAD.: 11.427 HEAT: -24441.59 CYCLE: 41 TIME: 102.664 TIME LEFT: 1.99W GRAD.: 11.357 HEAT: -24441.54 CYCLE: 42 TIME: 96.566 TIME LEFT: 1.99W GRAD.: 17.707 HEAT: -24441.53 CYCLE: 43 TIME: 104.020 TIME LEFT: 1.99W GRAD.: 11.686 HEAT: -24441.64 CYCLE: 44 TIME: 102.898 TIME LEFT: 1.99W GRAD.: 9.439 HEAT: -24441.71 CYCLE: 45 TIME: 97.594 TIME LEFT: 1.99W GRAD.: 11.803 HEAT: -24441.82 CYCLE: 46 TIME: 128.840 TIME LEFT: 1.99W GRAD.: 18.932 HEAT: -24441.84 CYCLE: 47 TIME: 101.449 TIME LEFT: 1.99W GRAD.: 9.498 HEAT: -24441.93 CYCLE: 48 TIME: 101.898 TIME LEFT: 1.99W GRAD.: 6.982 HEAT: -24442.02 CYCLE: 49 TIME: 99.730 TIME LEFT: 1.99W GRAD.: 7.867 HEAT: -24442.05 CYCLE: 50 TIME: 99.762 TIME LEFT: 1.99W GRAD.: 16.288 HEAT: -24442.01 CYCLE: 51 TIME: 103.863 TIME LEFT: 1.99W GRAD.: 9.146 HEAT: -24442.07 CYCLE: 52 TIME: 101.668 TIME LEFT: 1.99W GRAD.: 6.198 HEAT: -24442.10 CYCLE: 53 TIME: 104.285 TIME LEFT: 1.99W GRAD.: 6.454 HEAT: -24442.29 CYCLE: 54 TIME: 89.965 TIME LEFT: 1.99W GRAD.: 12.613 HEAT: -24442.36 CYCLE: 55 TIME: 104.023 TIME LEFT: 1.99W GRAD.: 7.963 HEAT: -24442.40 CYCLE: 56 TIME: 102.383 TIME LEFT: 1.99W GRAD.: 8.493 HEAT: -24442.37 CYCLE: 57 TIME: 101.961 TIME LEFT: 1.99W GRAD.: 5.927 HEAT: -24442.45 CYCLE: 58 TIME: 104.082 TIME LEFT: 1.99W GRAD.: 7.995 HEAT: -24442.40 CYCLE: 59 TIME: 101.230 TIME LEFT: 1.99W GRAD.: 5.854 HEAT: -24442.42 CYCLE: 60 TIME: 93.023 TIME LEFT: 1.99W GRAD.: 5.403 HEAT: -24442.51 CYCLE: 61 TIME: 102.383 TIME LEFT: 1.99W GRAD.: 12.119 HEAT: -24442.50 CYCLE: 62 TIME: 103.332 TIME LEFT: 1.99W GRAD.: 9.546 HEAT: -24442.53 CYCLE: 63 TIME: 104.195 TIME LEFT: 1.99W GRAD.: 7.940 HEAT: -24442.62 CYCLE: 64 TIME: 101.809 TIME LEFT: 1.99W GRAD.: 6.026 HEAT: -24442.65 CYCLE: 65 TIME: 104.879 TIME LEFT: 1.99W GRAD.: 5.097 HEAT: -24442.64 CYCLE: 66 TIME: 103.973 TIME LEFT: 1.99W GRAD.: 5.123 HEAT: -24442.72 CYCLE: 67 TIME: 100.262 TIME LEFT: 1.99W GRAD.: 8.439 HEAT: -24442.75 CYCLE: 68 TIME: 104.441 TIME LEFT: 1.99W GRAD.: 7.969 HEAT: -24442.79 RESTART FILE WRITTEN, TIME LEFT: 1.99W GRAD.: 5.351 HEAT: -24442.79 CYCLE: 70 TIME: 101.184 TIME LEFT: 1.99W GRAD.: 6.336 HEAT: -24442.82 CYCLE: 71 TIME: 103.723 TIME LEFT: 1.99W GRAD.: 8.414 HEAT: -24442.84 CYCLE: 72 TIME: 101.371 TIME LEFT: 1.99W GRAD.: 8.072 HEAT: -24442.85 CYCLE: 73 TIME: 105.328 TIME LEFT: 1.99W GRAD.: 5.487 HEAT: -24442.90 CYCLE: 74 TIME: 99.996 TIME LEFT: 1.99W GRAD.: 5.721 HEAT: -24442.97 CYCLE: 75 TIME: 104.211 TIME LEFT: 1.99W GRAD.: 7.205 HEAT: -24442.90 CYCLE: 76 TIME: 102.289 TIME LEFT: 1.99W GRAD.: 11.537 HEAT: -24442.93 CYCLE: 77 TIME: 102.758 TIME LEFT: 1.99W GRAD.: 5.486 HEAT: -24442.95 CYCLE: 78 TIME: 132.410 TIME LEFT: 1.99W GRAD.: 4.512 HEAT: -24442.97 CYCLE: 79 TIME: 102.586 TIME LEFT: 1.99W GRAD.: 5.101 HEAT: -24442.98 CYCLE: 80 TIME: 100.715 TIME LEFT: 1.99W GRAD.: 8.149 HEAT: -24442.96 CYCLE: 81 TIME: 101.434 TIME LEFT: 1.99W GRAD.: 5.536 HEAT: -24442.98 CYCLE: 82 TIME: 93.520 TIME LEFT: 1.99W GRAD.: 5.414 HEAT: -24443.09 CYCLE: 83 TIME: 102.133 TIME LEFT: 1.99W GRAD.: 4.305 HEAT: -24443.11 CYCLE: 84 TIME: 102.945 TIME LEFT: 1.99W GRAD.: 8.730 HEAT: -24443.03 CYCLE: 85 TIME: 101.902 TIME LEFT: 1.99W GRAD.: 7.953 HEAT: -24443.15 CYCLE: 86 TIME: 100.371 TIME LEFT: 1.99W GRAD.: 7.789 HEAT: -24443.19 CYCLE: 87 TIME: 92.977 TIME LEFT: 1.98W GRAD.: 6.864 HEAT: -24443.35 CYCLE: 88 TIME: 104.660 TIME LEFT: 1.98W GRAD.: 4.466 HEAT: -24443.36 CYCLE: 89 TIME: 98.531 TIME LEFT: 1.98W GRAD.: 5.075 HEAT: -24443.39 CYCLE: 90 TIME: 103.102 TIME LEFT: 1.98W GRAD.: 10.199 HEAT: -24443.37 CYCLE: 91 TIME: 89.184 TIME LEFT: 1.98W GRAD.: 5.617 HEAT: -24443.39 CYCLE: 92 TIME: 104.988 TIME LEFT: 1.98W GRAD.: 3.231 HEAT: -24443.41 CYCLE: 93 TIME: 102.023 TIME LEFT: 1.98W GRAD.: 6.181 HEAT: -24443.46 CYCLE: 94 TIME: 102.117 TIME LEFT: 1.98W GRAD.: 3.488 HEAT: -24443.46 CYCLE: 95 TIME: 105.020 TIME LEFT: 1.98W GRAD.: 4.467 HEAT: -24443.47 CYCLE: 96 TIME: 100.855 TIME LEFT: 1.98W GRAD.: 4.941 HEAT: -24443.47 CYCLE: 97 TIME: 90.777 TIME LEFT: 1.98W GRAD.: 3.690 HEAT: -24443.48 CYCLE: 98 TIME: 104.598 TIME LEFT: 1.98W GRAD.: 3.648 HEAT: -24443.52 CYCLE: 99 TIME: 97.734 TIME LEFT: 1.98W GRAD.: 7.879 HEAT: -24443.62 CYCLE: 100 TIME: 105.984 TIME LEFT: 1.98W GRAD.: 4.972 HEAT: -24443.64 CYCLE: 101 TIME: 100.730 TIME LEFT: 1.98W GRAD.: 3.999 HEAT: -24443.52 CYCLE: 102 TIME: 116.703 TIME LEFT: 1.98W GRAD.: 4.043 HEAT: -24443.65 CYCLE: 103 TIME: 102.102 TIME LEFT: 1.98W GRAD.: 4.208 HEAT: -24443.68 CYCLE: 104 TIME: 101.574 TIME LEFT: 1.98W GRAD.: 4.978 HEAT: -24443.70 CYCLE: 105 TIME: 101.148 TIME LEFT: 1.98W GRAD.: 4.188 HEAT: -24443.71 CYCLE: 106 TIME: 97.035 TIME LEFT: 1.98W GRAD.: 3.694 HEAT: -24443.72 CYCLE: 107 TIME: 97.094 TIME LEFT: 1.98W GRAD.: 3.980 HEAT: -24443.72 CYCLE: 108 TIME: 119.250 TIME LEFT: 1.98W GRAD.: 5.566 HEAT: -24443.72 CYCLE: 109 TIME: 101.977 TIME LEFT: 1.98W GRAD.: 4.705 HEAT: -24443.69 CYCLE: 110 TIME: 103.676 TIME LEFT: 1.98W GRAD.: 4.309 HEAT: -24443.70 CYCLE: 111 TIME: 101.434 TIME LEFT: 1.98W GRAD.: 4.465 HEAT: -24443.71 CYCLE: 112 TIME: 104.207 TIME LEFT: 1.98W GRAD.: 3.546 HEAT: -24443.71 CYCLE: 113 TIME: 99.109 TIME LEFT: 1.98W GRAD.: 7.374 HEAT: -24443.72 CYCLE: 114 TIME: 105.234 TIME LEFT: 1.98W GRAD.: 3.801 HEAT: -24443.74 CYCLE: 115 TIME: 104.555 TIME LEFT: 1.98W GRAD.: 4.878 HEAT: -24443.74 CYCLE: 116 TIME: 102.273 TIME LEFT: 1.98W GRAD.: 4.141 HEAT: -24443.75 CYCLE: 117 TIME: 104.598 TIME LEFT: 1.98W GRAD.: 3.859 HEAT: -24443.69 CYCLE: 118 TIME: 101.586 TIME LEFT: 1.98W GRAD.: 6.635 HEAT: -24443.70 CYCLE: 119 TIME: 111.684 TIME LEFT: 1.98W GRAD.: 6.458 HEAT: -24443.67 CYCLE: 120 TIME: 122.254 TIME LEFT: 1.98W GRAD.: 6.099 HEAT: -24443.65 CYCLE: 121 TIME: 101.730 TIME LEFT: 1.98W GRAD.: 6.033 HEAT: -24443.75 CYCLE: 122 TIME: 103.539 TIME LEFT: 1.98W GRAD.: 6.085 HEAT: -24443.60 CYCLE: 123 TIME: 100.070 TIME LEFT: 1.98W GRAD.: 12.423 HEAT: -24443.59 CYCLE: 124 TIME: 93.773 TIME LEFT: 1.98W GRAD.: 5.327 HEAT: -24443.61 CYCLE: 125 TIME: 101.121 TIME LEFT: 1.98W GRAD.: 5.535 HEAT: -24443.50 CYCLE: 126 TIME: 101.691 TIME LEFT: 1.98W GRAD.: 7.532 HEAT: -24443.69 CYCLE: 127 TIME: 104.273 TIME LEFT: 1.98W GRAD.: 5.099 HEAT: -24443.64 CYCLE: 128 TIME: 91.352 TIME LEFT: 1.98W GRAD.: 4.781 HEAT: -24443.45 CYCLE: 129 TIME: 94.898 TIME LEFT: 1.98W GRAD.: 6.812 HEAT: -24443.47 CYCLE: 130 TIME: 92.695 TIME LEFT: 1.98W GRAD.: 5.121 HEAT: -24443.48 CYCLE: 131 TIME: 91.727 TIME LEFT: 1.98W GRAD.: 5.673 HEAT: -24443.43 CYCLE: 132 TIME: 111.984 TIME LEFT: 1.98W GRAD.: 5.053 HEAT: -24443.49 CYCLE: 133 TIME: 100.977 TIME LEFT: 1.98W GRAD.: 4.591 HEAT: -24443.64 CYCLE: 134 TIME: 88.719 TIME LEFT: 1.98W GRAD.: 7.870 HEAT: -24443.56 CYCLE: 135 TIME: 101.664 TIME LEFT: 1.98W GRAD.: 5.986 HEAT: -24443.61 CYCLE: 136 TIME: 100.695 TIME LEFT: 1.98W GRAD.: 4.217 HEAT: -24443.62 CYCLE: 137 TIME: 100.812 TIME LEFT: 1.98W GRAD.: 3.812 HEAT: -24443.60 CYCLE: 138 TIME: 96.391 TIME LEFT: 1.98W GRAD.: 7.875 HEAT: -24443.49 CYCLE: 139 TIME: 87.922 TIME LEFT: 1.98W GRAD.: 5.066 HEAT: -24443.48 RESTART FILE WRITTEN, TIME LEFT: 1.98W GRAD.: 4.477 HEAT: -24443.61 CYCLE: 141 TIME: 99.484 TIME LEFT: 1.98W GRAD.: 3.558 HEAT: -24443.63 CYCLE: 142 TIME: 101.977 TIME LEFT: 1.98W GRAD.: 3.532 HEAT: -24443.61 CYCLE: 143 TIME: 118.531 TIME LEFT: 1.98W GRAD.: 5.812 HEAT: -24443.58 CYCLE: 144 TIME: 98.281 TIME LEFT: 1.98W GRAD.: 4.806 HEAT: -24443.62 CYCLE: 145 TIME: 89.617 TIME LEFT: 1.98W GRAD.: 4.578 HEAT: -24443.65 CYCLE: 146 TIME: 99.297 TIME LEFT: 1.98W GRAD.: 3.947 HEAT: -24443.72 CYCLE: 147 TIME: 100.430 TIME LEFT: 1.97W GRAD.: 8.340 HEAT: -24443.71 CYCLE: 148 TIME: 96.023 TIME LEFT: 1.97W GRAD.: 7.125 HEAT: -24443.73 CYCLE: 149 TIME: 87.094 TIME LEFT: 1.97W GRAD.: 7.033 HEAT: -24443.62 CYCLE: 150 TIME: 90.992 TIME LEFT: 1.97W GRAD.: 8.244 HEAT: -24443.64 CYCLE: 151 TIME: 97.078 TIME LEFT: 1.97W GRAD.: 11.122 HEAT: -24443.72 CYCLE: 152 TIME: 98.109 TIME LEFT: 1.97W GRAD.: 14.925 HEAT: -24444.04 CYCLE: 153 TIME: 96.602 TIME LEFT: 1.97W GRAD.: 19.220 HEAT: -24443.93 CYCLE: 154 TIME: 86.984 TIME LEFT: 1.97W GRAD.: 22.726 HEAT: -24444.04 CYCLE: 155 TIME: 98.844 TIME LEFT: 1.97W GRAD.: 52.228 HEAT: -24443.65 CYCLE: 156 TIME: 100.680 TIME LEFT: 1.97W GRAD.: 25.645 HEAT: -24444.07 CYCLE: 157 TIME: 100.328 TIME LEFT: 1.97W GRAD.: 47.824 HEAT: -24443.69 CYCLE: 158 TIME: 97.531 TIME LEFT: 1.97W GRAD.: 32.839 HEAT: -24444.15 CYCLE: 159 TIME: 100.602 TIME LEFT: 1.97W GRAD.: 68.731 HEAT: -24443.52 CYCLE: 160 TIME: 113.336 TIME LEFT: 1.97W GRAD.: 162.629 HEAT: -24439.21 CYCLE: 161 TIME: 108.062 TIME LEFT: 1.97W GRAD.: 101.869 HEAT: -24441.46 CYCLE: 162 TIME: 111.336 TIME LEFT: 1.97W GRAD.: 52.716 HEAT: -24443.06 CYCLE: 163 TIME: 116.203 TIME LEFT: 1.97W GRAD.: 39.270 HEAT: -24443.81 CYCLE: 164 TIME: 118.375 TIME LEFT: 1.97W GRAD.: 57.147 HEAT: -24443.40 CYCLE: 165 TIME: 109.867 TIME LEFT: 1.97W GRAD.: 68.093 HEAT: -24443.01 CYCLE: 166 TIME: 98.312 TIME LEFT: 1.97W GRAD.: 205.291 HEAT: -24438.23 CYCLE: 167 TIME: 103.320 TIME LEFT: 1.97W GRAD.: 40.136 HEAT: -24443.91 CYCLE: 168 TIME: 106.328 TIME LEFT: 1.97W GRAD.: 105.890 HEAT: -24441.02 CYCLE: 169 TIME: 99.531 TIME LEFT: 1.97W GRAD.: 43.081 HEAT: -24443.18 CYCLE: 170 TIME: 98.094 TIME LEFT: 1.97W GRAD.: 87.494 HEAT: -24443.18 CYCLE: 171 TIME: 96.219 TIME LEFT: 1.97W GRAD.: 18.372 HEAT: -24443.92 CYCLE: 172 TIME: 95.656 TIME LEFT: 1.97W GRAD.: 19.341 HEAT: -24444.49 CYCLE: 173 TIME: 89.703 TIME LEFT: 1.97W GRAD.: 31.874 HEAT: -24444.36 CYCLE: 174 TIME: 95.844 TIME LEFT: 1.97W GRAD.: 14.444 HEAT: -24444.62 CYCLE: 175 TIME: 100.281 TIME LEFT: 1.97W GRAD.: 9.781 HEAT: -24444.74 CYCLE: 176 TIME: 101.586 TIME LEFT: 1.97W GRAD.: 8.996 HEAT: -24444.78 CYCLE: 177 TIME: 93.023 TIME LEFT: 1.97W GRAD.: 9.869 HEAT: -24444.91 CYCLE: 178 TIME: 101.555 TIME LEFT: 1.97W GRAD.: 9.166 HEAT: -24445.03 CYCLE: 179 TIME: 102.445 TIME LEFT: 1.97W GRAD.: 7.481 HEAT: -24445.06 CYCLE: 180 TIME: 102.398 TIME LEFT: 1.97W GRAD.: 8.884 HEAT: -24445.15 CYCLE: 181 TIME: 90.516 TIME LEFT: 1.97W GRAD.: 17.725 HEAT: -24445.50 CYCLE: 182 TIME: 105.578 TIME LEFT: 1.97W GRAD.: 8.650 HEAT: -24445.52 CYCLE: 183 TIME: 104.758 TIME LEFT: 1.97W GRAD.: 5.500 HEAT: -24445.55 CYCLE: 184 TIME: 100.383 TIME LEFT: 1.97W GRAD.: 6.221 HEAT: -24445.57 CYCLE: 185 TIME: 104.289 TIME LEFT: 1.97W GRAD.: 5.333 HEAT: -24445.58 CYCLE: 186 TIME: 90.336 TIME LEFT: 1.97W GRAD.: 4.934 HEAT: -24445.59 CYCLE: 187 TIME: 104.539 TIME LEFT: 1.97W GRAD.: 7.047 HEAT: -24445.58 CYCLE: 188 TIME: 103.664 TIME LEFT: 1.97W GRAD.: 6.650 HEAT: -24445.60 CYCLE: 189 TIME: 101.227 TIME LEFT: 1.97W GRAD.: 5.136 HEAT: -24445.60 CYCLE: 190 TIME: 102.336 TIME LEFT: 1.97W GRAD.: 7.773 HEAT: -24445.64 CYCLE: 191 TIME: 99.031 TIME LEFT: 1.97W GRAD.: 6.051 HEAT: -24445.66 CYCLE: 192 TIME: 104.359 TIME LEFT: 1.97W GRAD.: 3.787 HEAT: -24445.65 CYCLE: 193 TIME: 104.258 TIME LEFT: 1.97W GRAD.: 4.372 HEAT: -24445.65 CYCLE: 194 TIME: 101.211 TIME LEFT: 1.97W GRAD.: 3.776 HEAT: -24445.66 CYCLE: 195 TIME: 106.562 TIME LEFT: 1.97W GRAD.: 4.672 HEAT: -24445.71 CYCLE: 196 TIME: 102.539 TIME LEFT: 1.97W GRAD.: 3.836 HEAT: -24445.71 CYCLE: 197 TIME: 106.922 TIME LEFT: 1.97W GRAD.: 3.276 HEAT: -24445.69 CYCLE: 198 TIME: 105.617 TIME LEFT: 1.97W GRAD.: 7.431 HEAT: -24445.70 CYCLE: 199 TIME: 103.695 TIME LEFT: 1.97W GRAD.: 4.580 HEAT: -24445.73 CYCLE: 200 TIME: 107.000 TIME LEFT: 1.97W GRAD.: 6.862 HEAT: -24445.85 CYCLE: 201 TIME: 102.258 TIME LEFT: 1.97W GRAD.: 5.690 HEAT: -24445.80 CYCLE: 202 TIME: 105.625 TIME LEFT: 1.97W GRAD.: 4.348 HEAT: -24445.87 CYCLE: 203 TIME: 105.383 TIME LEFT: 1.97W GRAD.: 3.891 HEAT: -24445.82 CYCLE: 204 TIME: 103.570 TIME LEFT: 1.97W GRAD.: 5.582 HEAT: -24445.79 CYCLE: 205 TIME: 106.281 TIME LEFT: 1.97W GRAD.: 3.553 HEAT: -24445.80 CYCLE: 206 TIME: 102.414 TIME LEFT: 1.96W GRAD.: 5.904 HEAT: -24445.80 CYCLE: 207 TIME: 105.781 TIME LEFT: 1.96W GRAD.: 4.617 HEAT: -24445.81 CYCLE: 208 TIME: 105.367 TIME LEFT: 1.96W GRAD.: 4.475 HEAT: -24445.61 CYCLE: 209 TIME: 103.875 TIME LEFT: 1.96W GRAD.: 3.893 HEAT: -24445.77 CYCLE: 210 TIME: 105.867 TIME LEFT: 1.96W GRAD.: 3.299 HEAT: -24445.72 RESTART FILE WRITTEN, TIME LEFT: 1.96W GRAD.: 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6.188 HEAT: -24445.65 CYCLE: 411 TIME: 90.648 TIME LEFT: 1.93W GRAD.: 3.622 HEAT: -24445.67 CYCLE: 412 TIME: 90.047 TIME LEFT: 1.93W GRAD.: 10.675 HEAT: -24445.64 CYCLE: 413 TIME: 91.914 TIME LEFT: 1.93W GRAD.: 3.839 HEAT: -24445.68 CYCLE: 414 TIME: 88.344 TIME LEFT: 1.93W GRAD.: 5.569 HEAT: -24445.66 CYCLE: 415 TIME: 88.344 TIME LEFT: 1.93W GRAD.: 3.363 HEAT: -24445.67 CYCLE: 416 TIME: 91.414 TIME LEFT: 1.93W GRAD.: 11.295 HEAT: -24445.64 CYCLE: 417 TIME: 90.188 TIME LEFT: 1.93W GRAD.: 4.330 HEAT: -24445.68 CYCLE: 418 TIME: 91.445 TIME LEFT: 1.93W GRAD.: 5.049 HEAT: -24445.67 CYCLE: 419 TIME: 88.031 TIME LEFT: 1.93W GRAD.: 3.197 HEAT: -24445.67 CYCLE: 420 TIME: 87.859 TIME LEFT: 1.93W GRAD.: 7.778 HEAT: -24445.66 CYCLE: 421 TIME: 91.508 TIME LEFT: 1.93W GRAD.: 3.809 HEAT: -24445.68 CYCLE: 422 TIME: 98.797 TIME LEFT: 1.93W GRAD.: 5.951 HEAT: -24445.66 CYCLE: 423 TIME: 92.148 TIME LEFT: 1.93W GRAD.: 3.419 HEAT: -24445.68 CYCLE: 424 TIME: 96.344 TIME LEFT: 1.93W GRAD.: 8.004 HEAT: -24445.65 CYCLE: 425 TIME: 88.109 TIME LEFT: 1.93W GRAD.: 4.335 HEAT: -24445.68 CYCLE: 426 TIME: 91.305 TIME LEFT: 1.93W GRAD.: 5.325 HEAT: -24445.66 CYCLE: 427 TIME: 98.734 TIME LEFT: 1.93W GRAD.: 3.383 HEAT: -24445.68 CYCLE: 428 TIME: 99.250 TIME LEFT: 1.93W GRAD.: 12.949 HEAT: -24445.64 CYCLE: 429 TIME: 88.969 TIME LEFT: 1.93W GRAD.: 4.081 HEAT: -24445.68 CYCLE: 430 TIME: 88.516 TIME LEFT: 1.93W GRAD.: 5.149 HEAT: -24445.67 CYCLE: 431 TIME: 91.648 TIME LEFT: 1.93W GRAD.: 3.177 HEAT: -24445.68 CYCLE: 432 TIME: 100.680 TIME LEFT: 1.93W GRAD.: 7.515 HEAT: -24445.66 CYCLE: 433 TIME: 92.789 TIME LEFT: 1.93W GRAD.: 4.127 HEAT: -24445.68 CYCLE: 434 TIME: 96.547 TIME LEFT: 1.93W GRAD.: 5.632 HEAT: -24445.66 CYCLE: 435 TIME: 88.281 TIME LEFT: 1.93W GRAD.: 3.397 HEAT: -24445.68 CYCLE: 436 TIME: 91.016 TIME LEFT: 1.93W GRAD.: 10.564 HEAT: -24445.65 CYCLE: 437 TIME: 91.148 TIME LEFT: 1.93W GRAD.: 3.948 HEAT: -24445.68 CYCLE: 438 TIME: 91.648 TIME LEFT: 1.93W GRAD.: 5.345 HEAT: -24445.67 CYCLE: 439 TIME: 88.672 TIME LEFT: 1.93W GRAD.: 3.253 HEAT: -24445.68 CYCLE: 440 TIME: 87.922 TIME LEFT: 1.93W GRAD.: 8.704 HEAT: -24445.65 CYCLE: 441 TIME: 91.820 TIME LEFT: 1.93W GRAD.: 4.119 HEAT: -24445.68 CYCLE: 442 TIME: 99.734 TIME LEFT: 1.93W GRAD.: 5.806 HEAT: -24445.66 CYCLE: 443 TIME: 91.883 TIME LEFT: 1.93W GRAD.: 3.365 HEAT: -24445.68 RESTART FILE WRITTEN, TIME LEFT: 1.93W GRAD.: 9.670 HEAT: -24445.65 CYCLE: 445 TIME: 89.391 TIME LEFT: 1.93W GRAD.: 4.191 HEAT: -24445.68 CYCLE: 446 TIME: 91.180 TIME LEFT: 1.93W GRAD.: 5.238 HEAT: -24445.67 CYCLE: 447 TIME: 99.453 TIME LEFT: 1.93W GRAD.: 3.266 HEAT: -24445.68 CYCLE: 448 TIME: 90.102 TIME LEFT: 1.93W GRAD.: 9.363 HEAT: -24445.65 CYCLE: 449 TIME: 97.016 TIME LEFT: 1.93W GRAD.: 4.195 HEAT: -24445.68 CYCLE: 450 TIME: 86.836 TIME LEFT: 1.93W GRAD.: 5.268 HEAT: -24445.67 CYCLE: 451 TIME: 91.336 TIME LEFT: 1.93W GRAD.: 3.255 HEAT: -24445.68 CYCLE: 452 TIME: 99.430 TIME LEFT: 1.93W GRAD.: 10.202 HEAT: -24445.65 CYCLE: 453 TIME: 92.078 TIME LEFT: 1.93W GRAD.: 4.131 HEAT: -24445.68 CYCLE: 454 TIME: 96.078 TIME LEFT: 1.93W GRAD.: 5.148 HEAT: -24445.67 CYCLE: 455 TIME: 87.594 TIME LEFT: 1.93W GRAD.: 3.231 HEAT: -24445.68 CYCLE: 456 TIME: 90.914 TIME LEFT: 1.93W GRAD.: 10.457 HEAT: -24445.65 CYCLE: 457 TIME: 100.078 TIME LEFT: 1.93W GRAD.: 4.159 HEAT: -24445.68 CYCLE: 458 TIME: 91.961 TIME LEFT: 1.93W GRAD.: 5.253 HEAT: -24445.67 CYCLE: 459 TIME: 88.172 TIME LEFT: 1.93W GRAD.: 3.230 HEAT: -24445.68 CYCLE: 460 TIME: 87.250 TIME LEFT: 1.93W GRAD.: 10.652 HEAT: -24445.65 CYCLE: 461 TIME: 90.336 TIME LEFT: 1.93W GRAD.: 4.195 HEAT: -24445.69 CYCLE: 462 TIME: 99.344 TIME LEFT: 1.93W GRAD.: 5.047 HEAT: -24445.67 CYCLE: 463 TIME: 91.992 TIME LEFT: 1.93W GRAD.: 3.161 HEAT: -24445.68 CYCLE: 464 TIME: 96.734 TIME LEFT: 1.92W GRAD.: 8.166 HEAT: -24445.66 CYCLE: 465 TIME: 88.484 TIME LEFT: 1.92W GRAD.: 4.145 HEAT: -24445.68 CYCLE: 466 TIME: 91.844 TIME LEFT: 1.92W GRAD.: 5.280 HEAT: -24445.67 CYCLE: 467 TIME: 99.523 TIME LEFT: 1.92W GRAD.: 3.247 HEAT: -24445.68 CYCLE: 468 TIME: 91.930 TIME LEFT: 1.92W GRAD.: 10.934 HEAT: -24445.65 CYCLE: 469 TIME: 88.234 TIME LEFT: 1.92W GRAD.: 4.296 HEAT: -24445.68 CYCLE: 470 TIME: 87.734 TIME LEFT: 1.92W GRAD.: 5.036 HEAT: -24445.67 CYCLE: 471 TIME: 91.422 TIME LEFT: 1.92W GRAD.: 3.151 HEAT: -24445.69 CYCLE: 472 TIME: 99.367 TIME LEFT: 1.92W GRAD.: 10.323 HEAT: -24445.66 CYCLE: 473 TIME: 92.289 TIME LEFT: 1.92W GRAD.: 4.213 HEAT: -24445.68 CYCLE: 474 TIME: 97.312 TIME LEFT: 1.92W GRAD.: 5.036 HEAT: -24445.67 CYCLE: 475 TIME: 88.312 TIME LEFT: 1.92W GRAD.: 3.169 HEAT: -24445.68 CYCLE: 476 TIME: 91.453 TIME LEFT: 1.92W GRAD.: 10.635 HEAT: -24445.66 CYCLE: 477 TIME: 100.492 TIME LEFT: 1.92W GRAD.: 4.246 HEAT: -24445.68 CYCLE: 478 TIME: 92.383 TIME LEFT: 1.92W GRAD.: 5.148 HEAT: -24445.67 CYCLE: 479 TIME: 89.469 TIME LEFT: 1.92W GRAD.: 3.170 HEAT: -24445.68 CYCLE: 480 TIME: 87.938 TIME LEFT: 1.92W GRAD.: 9.105 HEAT: -24445.66 CYCLE: 481 TIME: 91.805 TIME LEFT: 1.92W GRAD.: 4.185 HEAT: -24445.69 CYCLE: 482 TIME: 100.367 TIME LEFT: 1.92W GRAD.: 5.112 HEAT: -24445.67 CYCLE: 483 TIME: 93.039 TIME LEFT: 1.92W GRAD.: 3.197 HEAT: -24445.68 CYCLE: 484 TIME: 97.172 TIME LEFT: 1.92W GRAD.: 10.007 HEAT: -24445.66 CYCLE: 485 TIME: 88.703 TIME LEFT: 1.92W GRAD.: 4.362 HEAT: -24445.68 CYCLE: 486 TIME: 91.555 TIME LEFT: 1.92W GRAD.: 5.087 HEAT: -24445.67 CYCLE: 487 TIME: 100.250 TIME LEFT: 1.92W GRAD.: 3.177 HEAT: -24445.69 CYCLE: 488 TIME: 92.352 TIME LEFT: 1.92W GRAD.: 10.740 HEAT: -24445.65 CYCLE: 489 TIME: 97.703 TIME LEFT: 1.92W GRAD.: 4.284 HEAT: -24445.69 CYCLE: 490 TIME: 88.109 TIME LEFT: 1.92W GRAD.: 5.076 HEAT: -24445.67 CYCLE: 491 TIME: 91.914 TIME LEFT: 1.92W GRAD.: 2.785 HEAT: -24445.70 CYCLE: 492 TIME: 100.273 TIME LEFT: 1.92W GRAD.: 3.819 HEAT: -24445.68 CYCLE: 493 TIME: 92.961 TIME LEFT: 1.92W GRAD.: 3.410 HEAT: -24445.68 CYCLE: 494 TIME: 98.125 TIME LEFT: 1.92W GRAD.: 9.803 HEAT: -24445.78 CYCLE: 495 TIME: 88.828 TIME LEFT: 1.92W GRAD.: 4.324 HEAT: -24445.69 CYCLE: 496 TIME: 91.805 TIME LEFT: 1.92W GRAD.: 5.122 HEAT: -24445.67 CYCLE: 497 TIME: 100.422 TIME LEFT: 1.92W GRAD.: 2.689 HEAT: -24445.70 CYCLE: 498 TIME: 92.711 TIME LEFT: 1.92W GRAD.: 3.829 HEAT: -24445.68 CYCLE: 499 TIME: 97.109 TIME LEFT: 1.92W GRAD.: 3.430 HEAT: -24445.69 CYCLE: 500 TIME: 89.273 TIME LEFT: 1.92W GRAD.: 7.744 HEAT: -24445.79 CYCLE: 501 TIME: 94.414 TIME LEFT: 1.92W GRAD.: 4.228 HEAT: -24445.69 CYCLE: 502 TIME: 101.977 TIME LEFT: 1.92W GRAD.: 5.362 HEAT: -24445.67 CYCLE: 503 TIME: 93.508 TIME LEFT: 1.92W GRAD.: 3.414 HEAT: -24445.69 CYCLE: 504 TIME: 97.609 TIME LEFT: 1.92W GRAD.: 11.820 HEAT: -24445.77 CYCLE: 505 TIME: 88.078 TIME LEFT: 1.92W GRAD.: 4.085 HEAT: -24445.69 CYCLE: 506 TIME: 91.695 TIME LEFT: 1.92W GRAD.: 5.446 HEAT: -24445.67 CYCLE: 507 TIME: 99.828 TIME LEFT: 1.92W GRAD.: 3.187 HEAT: -24445.69 CYCLE: 508 TIME: 100.992 TIME LEFT: 1.92W GRAD.: 7.851 HEAT: -24445.79 CYCLE: 509 TIME: 96.672 TIME LEFT: 1.92W GRAD.: 4.221 HEAT: -24445.69 CYCLE: 510 TIME: 87.516 TIME LEFT: 1.92W GRAD.: 5.481 HEAT: -24445.67 CYCLE: 511 TIME: 91.852 TIME LEFT: 1.92W GRAD.: 3.302 HEAT: -24445.69 CYCLE: 512 TIME: 100.469 TIME LEFT: 1.92W GRAD.: 10.570 HEAT: -24445.78 CYCLE: 513 TIME: 92.430 TIME LEFT: 1.92W GRAD.: 4.282 HEAT: -24445.69 CYCLE: 514 TIME: 97.281 TIME LEFT: 1.92W GRAD.: 5.069 HEAT: -24445.67 CYCLE: 515 TIME: 87.984 TIME LEFT: 1.92W GRAD.: 2.729 HEAT: -24445.70 CYCLE: 516 TIME: 91.320 TIME LEFT: 1.92W GRAD.: 3.831 HEAT: -24445.69 CYCLE: 517 TIME: 99.875 TIME LEFT: 1.92W GRAD.: 3.418 HEAT: -24445.69 CYCLE: 518 TIME: 100.867 TIME LEFT: 1.92W GRAD.: 7.632 HEAT: -24445.79 CYCLE: 519 TIME: 88.719 TIME LEFT: 1.92W GRAD.: 4.050 HEAT: -24445.69 CYCLE: 520 TIME: 87.547 TIME LEFT: 1.92W GRAD.: 5.142 HEAT: -24445.67 RESTART FILE WRITTEN, TIME LEFT: 1.92W GRAD.: 3.275 HEAT: -24445.69 CYCLE: 522 TIME: 101.109 TIME LEFT: 1.92W GRAD.: 10.204 HEAT: -24445.78 CYCLE: 523 TIME: 100.914 TIME LEFT: 1.92W GRAD.: 4.153 HEAT: -24445.82 CYCLE: 524 TIME: 87.859 TIME LEFT: 1.92W GRAD.: 5.868 HEAT: -24445.66 CYCLE: 525 TIME: 87.562 TIME LEFT: 1.92W GRAD.: 3.335 HEAT: -24445.69 CYCLE: 526 TIME: 91.758 TIME LEFT: 1.92W GRAD.: 11.442 HEAT: -24445.78 CYCLE: 527 TIME: 99.359 TIME LEFT: 1.92W GRAD.: 4.327 HEAT: -24445.82 CYCLE: 528 TIME: 92.320 TIME LEFT: 1.92W GRAD.: 5.283 HEAT: -24445.67 CYCLE: 529 TIME: 97.859 TIME LEFT: 1.91W GRAD.: 2.720 HEAT: -24445.83 CYCLE: 530 TIME: 88.297 TIME LEFT: 1.91W GRAD.: 3.928 HEAT: -24445.82 CYCLE: 531 TIME: 91.070 TIME LEFT: 1.91W GRAD.: 3.477 HEAT: -24445.82 CYCLE: 532 TIME: 99.516 TIME LEFT: 1.91W GRAD.: 6.744 HEAT: -24445.79 CYCLE: 533 TIME: 101.070 TIME LEFT: 1.91W GRAD.: 4.488 HEAT: -24445.82 CYCLE: 534 TIME: 87.844 TIME LEFT: 1.91W GRAD.: 5.681 HEAT: -24445.80 CYCLE: 535 TIME: 95.719 TIME LEFT: 1.91W GRAD.: 3.387 HEAT: -24445.82 CYCLE: 536 TIME: 91.961 TIME LEFT: 1.91W GRAD.: 9.624 HEAT: -24445.79 CYCLE: 537 TIME: 99.969 TIME LEFT: 1.91W GRAD.: 3.876 HEAT: -24445.82 CYCLE: 538 TIME: 100.000 TIME LEFT: 1.91W GRAD.: 5.604 HEAT: -24445.80 CYCLE: 539 TIME: 96.562 TIME LEFT: 1.91W GRAD.: 3.311 HEAT: -24445.82 CYCLE: 540 TIME: 87.609 TIME LEFT: 1.91W GRAD.: 11.460 HEAT: -24445.78 CYCLE: 541 TIME: 91.414 TIME LEFT: 1.91W GRAD.: 4.499 HEAT: -24445.82 CYCLE: 542 TIME: 99.938 TIME LEFT: 1.91W GRAD.: 5.038 HEAT: -24445.80 CYCLE: 543 TIME: 100.508 TIME LEFT: 1.91W GRAD.: 2.717 HEAT: -24445.83 CYCLE: 544 TIME: 96.125 TIME LEFT: 1.91W GRAD.: 3.785 HEAT: -24445.82 CYCLE: 545 TIME: 87.953 TIME LEFT: 1.91W GRAD.: 3.388 HEAT: -24445.82 CYCLE: 546 TIME: 90.891 TIME LEFT: 1.91W GRAD.: 8.268 HEAT: -24445.79 CYCLE: 547 TIME: 99.914 TIME LEFT: 1.91W GRAD.: 4.143 HEAT: -24445.82 CYCLE: 548 TIME: 99.812 TIME LEFT: 1.91W GRAD.: 5.337 HEAT: -24445.80 CYCLE: 549 TIME: 96.594 TIME LEFT: 1.91W GRAD.: 3.383 HEAT: -24445.82 CYCLE: 550 TIME: 87.812 TIME LEFT: 1.91W GRAD.: 12.056 HEAT: -24445.77 CYCLE: 551 TIME: 91.711 TIME LEFT: 1.91W GRAD.: 4.162 HEAT: -24445.82 CYCLE: 552 TIME: 99.812 TIME LEFT: 1.91W GRAD.: 5.296 HEAT: -24445.80 CYCLE: 553 TIME: 100.352 TIME LEFT: 1.91W GRAD.: 2.676 HEAT: -24445.83 CYCLE: 554 TIME: 96.469 TIME LEFT: 1.91W GRAD.: 3.906 HEAT: -24445.82 CYCLE: 555 TIME: 88.469 TIME LEFT: 1.91W GRAD.: 3.457 HEAT: -24445.82 CYCLE: 556 TIME: 91.328 TIME LEFT: 1.91W GRAD.: 7.508 HEAT: -24445.80 CYCLE: 557 TIME: 100.523 TIME LEFT: 1.91W GRAD.: 4.495 HEAT: -24445.83 CYCLE: 558 TIME: 99.992 TIME LEFT: 1.91W GRAD.: 5.637 HEAT: -24445.80 CYCLE: 559 TIME: 96.492 TIME LEFT: 1.91W GRAD.: 3.425 HEAT: -24445.82 CYCLE: 560 TIME: 88.094 TIME LEFT: 1.91W GRAD.: 9.448 HEAT: -24445.78 CYCLE: 561 TIME: 91.367 TIME LEFT: 1.91W GRAD.: 4.006 HEAT: -24445.82 CYCLE: 562 TIME: 99.602 TIME LEFT: 1.91W GRAD.: 6.073 HEAT: -24445.79 CYCLE: 563 TIME: 100.859 TIME LEFT: 1.91W GRAD.: 3.365 HEAT: -24445.82 CYCLE: 564 TIME: 96.375 TIME LEFT: 1.91W GRAD.: 9.565 HEAT: -24445.79 CYCLE: 565 TIME: 87.672 TIME LEFT: 1.91W GRAD.: 4.230 HEAT: -24445.82 CYCLE: 566 TIME: 90.883 TIME LEFT: 1.91W GRAD.: 5.493 HEAT: -24445.80 CYCLE: 567 TIME: 100.016 TIME LEFT: 1.91W GRAD.: 2.617 HEAT: -24445.83 CYCLE: 568 TIME: 100.914 TIME LEFT: 1.91W GRAD.: 3.883 HEAT: -24445.82 CYCLE: 569 TIME: 97.078 TIME LEFT: 1.91W GRAD.: 3.475 HEAT: -24445.82 CYCLE: 570 TIME: 88.562 TIME LEFT: 1.91W GRAD.: 6.852 HEAT: -24445.80 CYCLE: 571 TIME: 91.422 TIME LEFT: 1.91W GRAD.: 4.114 HEAT: -24445.82 CYCLE: 572 TIME: 99.414 TIME LEFT: 1.91W GRAD.: 6.225 HEAT: -24445.80 CYCLE: 573 TIME: 100.930 TIME LEFT: 1.91W GRAD.: 3.482 HEAT: -24445.82 CYCLE: 574 TIME: 96.320 TIME LEFT: 1.91W GRAD.: 9.021 HEAT: -24445.79 CYCLE: 575 TIME: 87.719 TIME LEFT: 1.91W GRAD.: 4.070 HEAT: -24445.82 CYCLE: 576 TIME: 91.148 TIME LEFT: 1.91W GRAD.: 5.801 HEAT: -24445.80 **** JOB STOPPED BY OPERATOR **** RESTART FILE WRITTEN, TIME LEFT: 0.00S GRAD.: 3.411 HEAT: -24445.82 THERE IS NOT ENOUGH TIME FOR ANOTHER CYCLE NOW GOING TO FINAL - THE CALCULATION IS BEING DUMPED TO DISK RESTART IT USING THE KEYWORD "RESTART" CURRENT BEST VALUE OF HEAT OF FORMATION = -24445.874544 START_RES=(3A 1157A-2001) CHAINS=(AA) MOZYME output charge=-1 eps=78.4 HTML setpi T=2w gnorm=2 opt=("*1157"=5) gradients Step 5 - MTH1 Chain A + 8OG Optimized with Bias=3, now optimize 5 Angstroms around 8OG without bias N(ATOM 1 N ALA A 3) -2.99450081 +0 8.95631738 +0 -17.72668549 +0 C(ATOM 2 CA ALA A 3) -4.02683044 +0 8.05979989 +0 -17.19202920 +0 C(ATOM 3 C ALA A 3) -3.62909415 +0 6.57453783 +0 -17.28764708 +0 O(ATOM 4 O ALA A 3) -2.74464197 +0 6.11602530 +0 -18.00900382 +0 C(ATOM 5 CB ALA A 3) -5.36788708 +0 8.26219285 +0 -17.89592838 +0 H(ATOM 6 1H ALA A 3) -2.08004609 +0 8.73183852 +0 -17.33894702 +0 H(ATOM 7 2H ALA A 3) -2.92366944 +0 8.89118758 +0 -18.73644730 +0 H(ATOM 8 HA ALA A 3) -4.13947295 +0 8.31319239 +0 -16.09387477 +0 H(ATOM 9 1HB ALA A 3) -5.68571945 +0 9.31397439 +0 -17.83687961 +0 H(ATOM 10 2HB ALA A 3) -5.33685616 +0 7.99462504 +0 -18.95960075 +0 H(ATOM 11 3HB ALA A 3) -6.16825848 +0 7.66761422 +0 -17.43281525 +0 N(ATOM 12 N SER A 4) -4.31675620 +0 5.75644619 +0 -16.44716890 +0 C(ATOM 13 CA SER A 4) -3.93329410 +0 4.36494766 +0 -16.26950320 +0 C(ATOM 14 C SER A 4) -5.22660254 +0 3.57481855 +0 -16.06195008 +0 O(ATOM 15 O SER A 4) -6.27797265 +0 4.10849941 +0 -15.74652029 +0 C(ATOM 16 CB SER A 4) -3.01490128 +0 4.23888844 +0 -15.02932129 +0 O(ATOM 17 OG SER A 4) -3.62575046 +0 4.81472764 +0 -13.90298243 +0 H(ATOM 18 H SER A 4) -5.08856422 +0 6.08559732 +0 -15.86491671 +0 H(ATOM 19 HA SER A 4) -3.38007954 +0 3.98222962 +0 -17.17884116 +0 H(ATOM 20 1HB SER A 4) -2.74672881 +0 3.18803814 +0 -14.82471582 +0 H(ATOM 21 2HB SER A 4) -2.09303643 +0 4.84592085 +0 -15.16014666 +0 H(ATOM 22 HG SER A 4) -4.43358144 +0 4.31844532 +0 -13.64061807 +0 N(ATOM 23 N ARG A 5) -5.11871532 +0 2.22646658 +0 -16.22382416 +0 C(ATOM 24 CA ARG A 5) -6.28832588 +0 1.36091694 +0 -16.06717482 +0 C(ATOM 25 C ARG A 5) -5.93219641 +0 0.42764171 +0 -14.90413162 +0 O(ATOM 26 O ARG A 5) -4.80846345 +0 -0.02195309 +0 -14.74231036 +0 C(ATOM 27 CB ARG A 5) -6.51966274 +0 0.60621120 +0 -17.38568878 +0 C(ATOM 28 CG ARG A 5) -7.70394029 +0 -0.35993106 +0 -17.35980578 +0 C(ATOM 29 CD ARG A 5) -9.05592927 +0 0.37650877 +0 -17.27159946 +0 N(ATOM 30 NE ARG A 5) -10.04251052 +0 -0.06363966 +0 -18.26827481 +0 C(ATOM 31 CZ ARG A 5) -11.07623807 +0 -0.96525089 +0 -17.98420143 +0 N(ATOM 32 NH1 ARG A 5) -11.49171604 +0 -1.12187617 +0 -16.65475605 +0 N(ATOM 33 NH2 ARG A 5) -11.73323473 +0 -1.45916014 +0 -19.00774523 +0 H(ATOM 34 H ARG A 5) -4.25110124 +0 1.78864843 +0 -16.53624613 +0 H(ATOM 35 HA ARG A 5) -7.19788754 +0 1.98057074 +0 -15.80901456 +0 H(ATOM 36 1HB ARG A 5) -6.66556655 +0 1.36321049 +0 -18.18945668 +0 H(ATOM 37 2HB ARG A 5) -5.59369863 +0 0.05799778 +0 -17.66055299 +0 H(ATOM 38 1HG ARG A 5) -7.59990484 +0 -1.08041465 +0 -16.52404345 +0 H(ATOM 39 2HG ARG A 5) -7.66452454 +0 -0.99146847 +0 -18.27192614 +0 H(ATOM 40 1HD ARG A 5) -9.46193681 +0 0.31001132 +0 -16.23605466 +0 H(ATOM 41 2HD ARG A 5) -8.91520776 +0 1.47354576 +0 -17.45315321 +0 H(ATOM 42 HE ARG A 5) -9.67545181 +0 -0.12574635 +0 -19.21872685 +0 H(ATOM 43 1HH1 ARG A 5) -12.04768200 +0 -1.93677329 +0 -16.43677014 +0 H(ATOM 44 2HH1 ARG A 5) -10.83634821 +0 -0.91439055 +0 -15.90839865 +0 H(ATOM 45 HH2 ARG A 5) -12.57602114 +0 -1.98981793 +0 -18.82631481 +0 N(ATOM 46 N LEU A 6) -6.90164829 +0 0.19016255 +0 -13.97338839 +0 C(ATOM 47 CA LEU A 6) -6.56682359 +0 -0.59277167 +0 -12.78708816 +0 C(ATOM 48 C LEU A 6) -6.72852984 +0 -2.08831270 +0 -13.11699670 +0 O(ATOM 49 O LEU A 6) -7.73444898 +0 -2.50859582 +0 -13.68266845 +0 C(ATOM 50 CB LEU A 6) -7.55422108 +0 -0.30292414 +0 -11.64771941 +0 C(ATOM 51 CG LEU A 6) -7.31245577 +0 1.06389401 +0 -10.98358436 +0 C(ATOM 52 CD1 LEU A 6) -8.49819429 +0 1.35492668 +0 -10.05679536 +0 C(ATOM 53 CD2 LEU A 6) -5.99906715 +0 1.07819792 +0 -10.19825034 +0 H(ATOM 54 H LEU A 6) -7.87459766 +0 0.46836503 +0 -14.08779455 +0 H(ATOM 55 HA LEU A 6) -5.50314193 +0 -0.36737745 +0 -12.46949244 +0 H(ATOM 56 1HB LEU A 6) -8.59498569 +0 -0.34380274 +0 -12.03965800 +0 H(ATOM 57 2HB LEU A 6) -7.49208338 +0 -1.10212500 +0 -10.88320472 +0 H(ATOM 58 HG LEU A 6) -7.26828470 +0 1.85384284 +0 -11.77418800 +0 H(ATOM 59 1HD1 LEU A 6) -9.44317118 +0 1.38887740 +0 -10.61296950 +0 H(ATOM 60 2HD1 LEU A 6) -8.60225455 +0 0.59331282 +0 -9.27701568 +0 H(ATOM 61 3HD1 LEU A 6) -8.38561171 +0 2.32054508 +0 -9.55138146 +0 H(ATOM 62 1HD2 LEU A 6) -5.12452250 +0 1.02666198 +0 -10.86089276 +0 H(ATOM 63 2HD2 LEU A 6) -5.89440989 +0 2.00941532 +0 -9.62562420 +0 H(ATOM 64 3HD2 LEU A 6) -5.93881482 +0 0.24672652 +0 -9.49219099 +0 N(ATOM 65 N TYR A 7) -5.72252074 +0 -2.90108622 +0 -12.70933552 +0 C(ATOM 66 CA TYR A 7) -5.76520011 +1 -4.34662920 +1 -12.90323363 +1 C(ATOM 67 C TYR A 7) -5.36506842 +1 -4.96123342 +1 -11.54919095 +1 O(ATOM 68 O TYR A 7) -4.66195737 +0 -4.33677702 +0 -10.76857104 +0 C(ATOM 69 CB TYR A 7) -4.70896187 +1 -4.83161433 +1 -13.92501356 +1 C(ATOM 70 CG TYR A 7) -5.09258447 +1 -4.47748347 +1 -15.32500679 +1 C(ATOM 71 CD1 TYR A 7) -4.85555196 +1 -3.18369623 +1 -15.79232868 +1 C(ATOM 72 CD2 TYR A 7) -5.65816048 +1 -5.43681768 +1 -16.17200365 +1 C(ATOM 73 CE1 TYR A 7) -5.15843300 +0 -2.84723016 +0 -17.10542175 +0 C(ATOM 74 CE2 TYR A 7) -5.97739558 +1 -5.12000516 +1 -17.48577700 +1 C(ATOM 75 CZ TYR A 7) -5.71248774 +1 -3.82169350 +1 -17.93724623 +1 O(ATOM 76 OH TYR A 7) -6.02565687 +0 -3.55457157 +0 -19.22508456 +0 H(ATOM 77 H TYR A 7) -4.84932503 +0 -2.53755275 +0 -12.29576465 +0 H(ATOM 78 HA TYR A 7) -6.79598244 +1 -4.67109375 +1 -13.22565818 +1 H(ATOM 79 1HB TYR A 7) -4.57603856 +1 -5.92961912 +1 -13.82387868 +1 H(ATOM 80 2HB TYR A 7) -3.71845679 +1 -4.38657711 +1 -13.67823915 +1 H(ATOM 81 HD1 TYR A 7) -4.44181126 +0 -2.42578930 +0 -15.12494445 +0 H(ATOM 82 HD2 TYR A 7) -5.84415355 +1 -6.44928748 +1 -15.81139126 +1 H(ATOM 83 HE1 TYR A 7) -4.96544175 +0 -1.84967495 +0 -17.48643010 +0 H(ATOM 84 HE2 TYR A 7) -6.39933741 +1 -5.85981124 +1 -18.16510186 +1 H(ATOM 85 HH TYR A 7) -5.68425892 +0 -2.65877386 +0 -19.52127693 +0 N(ATOM 86 N THR A 8) -5.76452232 +1 -6.24254662 +1 -11.30685075 +1 C(ATOM 87 CA THR A 8) -5.36536820 +1 -6.92363546 +1 -10.08751822 +1 C(ATOM 88 C THR A 8) -4.57929923 +1 -8.18262151 +1 -10.48107945 +1 O(ATOM 89 O THR A 8) -4.93898599 +1 -8.84117505 +1 -11.45546893 +1 C(ATOM 90 CB THR A 8) -6.59675398 +1 -7.42268208 +1 -9.27243894 +1 O(ATOM 91 OG1 THR A 8) -7.40766993 +1 -8.24162520 +1 -10.09570449 +1 C(ATOM 92 CG2 THR A 8) -7.45803400 +0 -6.26141502 +0 -8.83271502 +0 H(ATOM 93 H THR A 8) -6.45269536 +1 -6.71483767 +1 -11.89622519 +1 H(ATOM 94 HA THR A 8) -4.74223811 +1 -6.23935328 +1 -9.43532564 +1 H(ATOM 95 HB THR A 8) -6.24471170 +0 -8.03617502 +0 -8.41423571 +0 H(ATOM 96 HG1 THR A 8) -6.95677675 +1 -9.08979999 +1 -10.28627670 +1 H(ATOM 97 1HG2 THR A 8) -8.29905172 +0 -6.58598511 +0 -8.19952948 +0 H(ATOM 98 2HG2 THR A 8) -6.87848931 +0 -5.53237723 +0 -8.25249222 +0 H(ATOM 99 3HG2 THR A 8) -7.90018028 +0 -5.73230365 +0 -9.68858238 +0 N(ATOM 100 N LEU A 9) -3.59960007 +1 -8.57944571 +1 -9.63412705 +1 C(ATOM 101 CA LEU A 9) -2.87979997 +1 -9.84429736 +1 -9.82373559 +1 C(ATOM 102 C LEU A 9) -2.82240195 +1 -10.49550257 +1 -8.42467239 +1 O(ATOM 103 O LEU A 9) -2.40301941 +0 -9.85663339 +0 -7.47127710 +0 C(ATOM 104 CB LEU A 9) -1.44897961 +1 -9.58145111 +1 -10.31401041 +1 C(ATOM 105 CG LEU A 9) -0.75668446 +1 -10.87905671 +1 -10.77146986 +1 C(ATOM 106 CD1 LEU A 9) -1.51737340 +1 -11.52159787 +1 -11.93384275 +1 C(ATOM 107 CD2 LEU A 9) 0.67879526 +1 -10.54991576 +1 -11.19077223 +1 H(ATOM 108 H LEU A 9) -3.22962078 +1 -7.96642526 +1 -8.89159614 +1 H(ATOM 109 HA LEU A 9) -3.43881925 +1 -10.49513778 +1 -10.55668878 +1 H(ATOM 110 1HB LEU A 9) -0.85388382 +1 -9.09680918 +1 -9.51430256 +1 H(ATOM 111 2HB LEU A 9) -1.46950590 +1 -8.85898041 +1 -11.15447429 +1 H(ATOM 112 HG LEU A 9) -0.72600910 +1 -11.59521958 +1 -9.91481102 +1 H(ATOM 113 1HD1 LEU A 9) -2.38423289 +1 -12.09641582 +1 -11.59691398 +1 H(ATOM 114 2HD1 LEU A 9) -1.87879532 +1 -10.77137916 +1 -12.64887551 +1 H(ATOM 115 3HD1 LEU A 9) -0.86677914 +1 -12.20035954 +1 -12.50602673 +1 H(ATOM 116 1HD2 LEU A 9) 1.22464186 +1 -10.00787598 +1 -10.41418774 +1 H(ATOM 117 2HD2 LEU A 9) 1.24076698 +1 -11.46438496 +1 -11.42036010 +1 H(ATOM 118 3HD2 LEU A 9) 0.70411744 +1 -9.94368615 +1 -12.10888883 +1 N(ATOM 119 N VAL A 10) -3.23153419 +0 -11.79290615 +0 -8.32947473 +0 C(ATOM 120 CA VAL A 10) -3.36972364 +0 -12.44716715 +0 -7.03149291 +0 C(ATOM 121 C VAL A 10) -2.45933338 +0 -13.68783534 +0 -7.07557979 +0 O(ATOM 122 O VAL A 10) -2.56085513 +0 -14.54648034 +0 -7.94631240 +0 C(ATOM 123 CB VAL A 10) -4.82589241 +0 -12.93434376 +0 -6.79117022 +0 C(ATOM 124 CG1 VAL A 10) -4.89434116 +0 -13.70375025 +0 -5.47072529 +0 C(ATOM 125 CG2 VAL A 10) -5.79327873 +0 -11.75041897 +0 -6.79539504 +0 H(ATOM 126 H VAL A 10) -3.71443539 +1 -12.25690501 +1 -9.11025608 +1 H(ATOM 127 HA VAL A 10) -3.05635555 +0 -11.74221859 +0 -6.20781741 +0 H(ATOM 128 HB VAL A 10) -5.11001582 +0 -13.62308309 +0 -7.62812395 +0 H(ATOM 129 1HG1 VAL A 10) -4.32666148 +0 -14.64246389 +0 -5.52097704 +0 H(ATOM 130 2HG1 VAL A 10) -4.49528142 +0 -13.12316047 +0 -4.63076309 +0 H(ATOM 131 3HG1 VAL A 10) -5.93011227 +0 -13.96824470 +0 -5.22431878 +0 H(ATOM 132 1HG2 VAL A 10) -5.81364302 +0 -11.26528405 +0 -7.78096387 +0 H(ATOM 133 2HG2 VAL A 10) -6.82233922 +0 -12.08037709 +0 -6.59151181 +0 H(ATOM 134 3HG2 VAL A 10) -5.52543638 +0 -10.99612055 +0 -6.04966520 +0 N(ATOM 135 N LEU A 11) -1.55969276 +0 -13.77558447 +0 -6.05851202 +0 C(ATOM 136 CA LEU A 11) -0.64417220 +0 -14.90483128 +0 -5.94243047 +0 C(ATOM 137 C LEU A 11) -1.02647847 +0 -15.62832518 +0 -4.63193993 +0 O(ATOM 138 O LEU A 11) -0.98708562 +0 -15.09300913 +0 -3.53725977 +0 C(ATOM 139 CB LEU A 11) 0.82355554 +0 -14.46773198 +0 -5.83603251 +0 C(ATOM 140 CG LEU A 11) 1.49967943 +0 -14.17398078 +0 -7.18932483 +0 C(ATOM 141 CD1 LEU A 11) 1.35313499 +0 -15.33979787 +0 -8.17273370 +0 C(ATOM 142 CD2 LEU A 11) 0.97399140 +0 -12.88459063 +0 -7.82719617 +0 H(ATOM 143 H LEU A 11) -1.42507783 +0 -13.01407392 +0 -5.38698834 +0 H(ATOM 144 HA LEU A 11) -0.77677901 +0 -15.59292863 +0 -6.82686420 +0 H(ATOM 145 1HB LEU A 11) 1.39986238 +0 -15.25696891 +0 -5.30937500 +0 H(ATOM 146 2HB LEU A 11) 0.90023805 +0 -13.57439600 +0 -5.17928365 +0 H(ATOM 147 HG LEU A 11) 2.59198020 +0 -14.03097213 +0 -6.97491226 +0 H(ATOM 148 1HD1 LEU A 11) 1.64390287 +0 -16.29365743 +0 -7.71967846 +0 H(ATOM 149 2HD1 LEU A 11) 0.32252574 +0 -15.44742683 +0 -8.53282016 +0 H(ATOM 150 3HD1 LEU A 11) 1.97969424 +0 -15.18769555 +0 -9.05994768 +0 H(ATOM 151 1HD2 LEU A 11) 1.04231642 +0 -12.03643365 +0 -7.13673214 +0 H(ATOM 152 2HD2 LEU A 11) 1.54474997 +1 -12.62439786 +1 -8.72573759 +1 H(ATOM 153 3HD2 LEU A 11) -0.07703968 +0 -12.97661109 +0 -8.12300298 +0 N(ATOM 154 N VAL A 12) -1.36071186 +0 -16.94283334 +0 -4.79013259 +0 C(ATOM 155 CA VAL A 12) -1.65334782 +0 -17.79125632 +0 -3.63668810 +0 C(ATOM 156 C VAL A 12) -0.28948823 +0 -18.43214958 +0 -3.30379461 +0 O(ATOM 157 O VAL A 12) 0.22065345 +0 -19.30689838 +0 -3.98792520 +0 C(ATOM 158 CB VAL A 12) -2.70621047 +0 -18.86503479 +0 -3.98853510 +0 C(ATOM 159 CG1 VAL A 12) -2.90206428 +0 -19.79895441 +0 -2.79347386 +0 C(ATOM 160 CG2 VAL A 12) -4.02115783 +0 -18.18441012 +0 -4.37618243 +0 H(ATOM 161 H VAL A 12) -1.55070695 +0 -17.33958426 +0 -5.72240356 +0 H(ATOM 162 HA VAL A 12) -2.02377454 +0 -17.17250996 +0 -2.77015559 +0 H(ATOM 163 HB VAL A 12) -2.33160127 +0 -19.46337706 +0 -4.85970910 +0 H(ATOM 164 1HG1 VAL A 12) -1.97509811 +0 -20.34126761 +0 -2.56134928 +0 H(ATOM 165 2HG1 VAL A 12) -3.20317761 +0 -19.25339707 +0 -1.89231567 +0 H(ATOM 166 3HG1 VAL A 12) -3.67972094 +0 -20.54464190 +0 -3.00373589 +0 H(ATOM 167 1HG2 VAL A 12) -3.89379753 +0 -17.54189858 +0 -5.26015490 +0 H(ATOM 168 2HG2 VAL A 12) -4.79323108 +0 -18.91900753 +0 -4.62760712 +0 H(ATOM 169 3HG2 VAL A 12) -4.40712831 +0 -17.55388145 +0 -3.56789134 +0 N(ATOM 170 N LEU A 13) 0.35196433 +0 -17.88448713 +0 -2.23224861 +0 C(ATOM 171 CA LEU A 13) 1.72730375 +0 -18.24490506 +0 -1.89373553 +0 C(ATOM 172 C LEU A 13) 1.67141198 +0 -18.91568995 +0 -0.51052523 +0 O(ATOM 173 O LEU A 13) 1.39699072 +0 -18.31288371 +0 0.51736316 +0 C(ATOM 174 CB LEU A 13) 2.60042634 +0 -16.98814508 +0 -1.83076200 +0 C(ATOM 175 CG LEU A 13) 4.05120494 +0 -17.25220504 +0 -1.38801096 +0 C(ATOM 176 CD1 LEU A 13) 4.74310377 +0 -18.30251538 +0 -2.26090495 +0 C(ATOM 177 CD2 LEU A 13) 4.79930265 +0 -15.91502739 +0 -1.45757937 +0 H(ATOM 178 H LEU A 13) -0.07114645 +0 -17.13611571 +0 -1.68145802 +0 H(ATOM 179 HA LEU A 13) 2.13336141 +0 -18.95887221 +0 -2.66921417 +0 H(ATOM 180 1HB LEU A 13) 2.59565701 +0 -16.49838619 +0 -2.82489416 +0 H(ATOM 181 2HB LEU A 13) 2.14442165 +0 -16.25336029 +0 -1.13254527 +0 H(ATOM 182 HG LEU A 13) 4.05863568 +0 -17.61142416 +0 -0.32773245 +0 H(ATOM 183 1HD1 LEU A 13) 4.32517490 +0 -19.30449187 +0 -2.09529087 +0 H(ATOM 184 2HD1 LEU A 13) 4.66266303 +0 -18.06338954 +0 -3.32465811 +0 H(ATOM 185 3HD1 LEU A 13) 5.81131273 +0 -18.37002142 +0 -2.01421985 +0 H(ATOM 186 1HD2 LEU A 13) 4.31219484 +0 -15.15542832 +0 -0.83083690 +0 H(ATOM 187 2HD2 LEU A 13) 5.82782101 +0 -16.00891982 +0 -1.09556114 +0 H(ATOM 188 3HD2 LEU A 13) 4.82944654 +0 -15.52033687 +0 -2.47844975 +0 N(ATOM 189 N GLN A 14) 1.85196622 +0 -20.26777238 +0 -0.54735675 +0 C(ATOM 190 CA GLN A 14) 1.85846803 +0 -21.08747734 +0 0.65982207 +0 C(ATOM 191 C GLN A 14) 3.33077940 +0 -21.36420334 +0 0.99675819 +0 O(ATOM 192 O GLN A 14) 4.22068640 +0 -20.99420969 +0 0.24423094 +0 C(ATOM 193 CB GLN A 14) 1.06874557 +0 -22.37828194 +0 0.36012866 +0 C(ATOM 194 CG GLN A 14) -0.37805747 +0 -22.00874344 +0 0.02905395 +0 C(ATOM 195 CD GLN A 14) -1.28802258 +0 -23.20341080 +0 0.06548125 +0 O(ATOM 196 OE1 GLN A 14) -0.91788735 +0 -24.36297366 +0 -0.04180343 +0 N(ATOM 197 NE2 GLN A 14) -2.63512636 +0 -22.94663904 +0 0.16357552 +0 H(ATOM 198 H GLN A 14) 2.26480706 +0 -20.71893233 +0 -1.37038081 +0 H(ATOM 199 HA GLN A 14) 1.38761257 +0 -20.52437247 +0 1.51691169 +0 H(ATOM 200 1HB GLN A 14) 1.52725987 +0 -22.92322482 +0 -0.49306552 +0 H(ATOM 201 2HB GLN A 14) 1.11670668 +0 -23.07798524 +0 1.21655188 +0 H(ATOM 202 1HG GLN A 14) -0.42596507 +0 -21.54076879 +0 -0.98167000 +0 H(ATOM 203 2HG GLN A 14) -0.74131924 +0 -21.21174627 +0 0.71488929 +0 H(ATOM 204 1HE2 GLN A 14) -3.28930890 +0 -23.71231451 +0 0.22244896 +0 H(ATOM 205 2HE2 GLN A 14) -2.98371611 +0 -22.04674376 +0 0.40914134 +0 N(ATOM 206 N PRO A 15) 3.65780508 +0 -22.04904132 +0 2.13309967 +0 C(ATOM 207 CA PRO A 15) 5.04860924 +0 -21.98949977 +0 2.62648081 +0 C(ATOM 208 C PRO A 15) 6.03334605 +0 -22.64345872 +0 1.65991500 +0 O(ATOM 209 O PRO A 15) 7.18218904 +0 -22.24090052 +0 1.57656729 +0 C(ATOM 210 CD PRO A 15) 2.73554340 +0 -22.47964482 +0 3.20509154 +0 C(ATOM 211 CB PRO A 15) 5.01481842 +0 -22.71491101 +0 3.98704945 +0 C(ATOM 212 CG PRO A 15) 3.58538895 +0 -22.45498126 +0 4.48969232 +0 H(ATOM 213 HA PRO A 15) 5.36454608 +0 -20.91385885 +0 2.75306470 +0 H(ATOM 214 1HD PRO A 15) 2.39105577 +0 -23.51746350 +0 2.97934515 +0 H(ATOM 215 2HD PRO A 15) 1.84770851 +0 -21.82340948 +0 3.28379869 +0 H(ATOM 216 1HB PRO A 15) 5.20212796 +0 -23.79973044 +0 3.87940904 +0 H(ATOM 217 2HB PRO A 15) 5.78311388 +0 -22.33783437 +0 4.68039948 +0 H(ATOM 218 1HG PRO A 15) 3.51578486 +0 -21.47246320 +0 4.99304013 +0 H(ATOM 219 2HG PRO A 15) 3.25226059 +0 -23.20317613 +0 5.22640755 +0 N(ATOM 220 N GLN A 16) 5.59162906 +0 -23.69575630 +0 0.90007182 +0 C(ATOM 221 CA GLN A 16) 6.51327081 +0 -24.38788421 +0 0.00788787 +0 C(ATOM 222 C GLN A 16) 5.98844490 +0 -24.39880265 +0 -1.43580650 +0 O(ATOM 223 O GLN A 16) 6.51017880 +0 -25.13920510 +0 -2.26705260 +0 C(ATOM 224 CB GLN A 16) 6.72884713 +0 -25.84434423 +0 0.46828012 +0 C(ATOM 225 CG GLN A 16) 7.38872137 +0 -25.86604266 +0 1.84676930 +0 C(ATOM 226 CD GLN A 16) 7.69332815 +0 -27.27403404 +0 2.28756671 +0 O(ATOM 227 OE1 GLN A 16) 7.00937046 +0 -28.24136742 +0 1.96278107 +0 N(ATOM 228 NE2 GLN A 16) 8.75723167 +0 -27.45471492 +0 3.12357314 +0 H(ATOM 229 H GLN A 16) 4.65884275 +0 -24.09824514 +0 1.00918894 +0 H(ATOM 230 HA GLN A 16) 7.50690694 +0 -23.84409935 +0 -0.00966728 +0 H(ATOM 231 1HB GLN A 16) 5.77008931 +0 -26.40284785 +0 0.48830220 +0 H(ATOM 232 2HB GLN A 16) 7.35919012 +0 -26.38009913 +0 -0.27121007 +0 H(ATOM 233 1HG GLN A 16) 6.71936136 +0 -25.40248292 +0 2.61004668 +0 H(ATOM 234 2HG GLN A 16) 8.30555419 +0 -25.23489925 +0 1.84915105 +0 H(ATOM 235 1HE2 GLN A 16) 9.00600755 +0 -28.36663549 +0 3.47009317 +0 H(ATOM 236 2HE2 GLN A 16) 9.36238966 +0 -26.70232557 +0 3.40850465 +0 N(ATOM 237 N ARG A 17) 4.93250362 +0 -23.61816683 +0 -1.78461132 +0 C(ATOM 238 CA ARG A 17) 4.43280043 +0 -23.70514602 +0 -3.16044609 +0 C(ATOM 239 C ARG A 17) 3.61400478 +0 -22.45260470 +0 -3.48141941 +0 O(ATOM 240 O ARG A 17) 3.08362216 +0 -21.77716335 +0 -2.61633137 +0 C(ATOM 241 CB ARG A 17) 3.55182989 +0 -24.95625411 +0 -3.35813689 +0 C(ATOM 242 CG ARG A 17) 2.32600895 +0 -24.97511606 +0 -2.44129479 +0 C(ATOM 243 CD ARG A 17) 1.52027069 +0 -26.25796605 +0 -2.69781743 +0 N(ATOM 244 NE ARG A 17) 0.31623689 +0 -26.29229517 +0 -1.84381193 +0 C(ATOM 245 CZ ARG A 17) -0.74573965 +0 -27.13226643 +0 -2.21060930 +0 N(ATOM 246 NH1 ARG A 17) -0.41858770 +0 -28.30190136 +0 -2.92971071 +0 N(ATOM 247 NH2 ARG A 17) -1.92693458 +0 -26.91498466 +0 -1.69682997 +0 H(ATOM 248 H ARG A 17) 4.51942938 +0 -22.91589554 +0 -1.16990008 +0 H(ATOM 249 HA ARG A 17) 5.31715490 +0 -23.77365836 +0 -3.86737224 +0 H(ATOM 250 1HB ARG A 17) 3.24461744 +0 -25.00635475 +0 -4.42200542 +0 H(ATOM 251 2HB ARG A 17) 4.18556617 +0 -25.85408293 +0 -3.17424037 +0 H(ATOM 252 1HG ARG A 17) 1.69494512 +0 -24.07918582 +0 -2.61450019 +0 H(ATOM 253 2HG ARG A 17) 2.63626415 +0 -24.91977176 +0 -1.38027650 +0 H(ATOM 254 1HD ARG A 17) 1.26341718 +0 -26.32855837 +0 -3.78103680 +0 H(ATOM 255 2HD ARG A 17) 2.13735386 +0 -27.15458926 +0 -2.44200285 +0 H(ATOM 256 HE ARG A 17) 0.02128170 +0 -25.38643847 +0 -1.46277862 +0 H(ATOM 257 1HH1 ARG A 17) -1.19580488 +0 -28.81766989 +0 -3.32330051 +0 H(ATOM 258 2HH1 ARG A 17) 0.38063662 +0 -28.29743408 +0 -3.55064719 +0 H(ATOM 259 HH2 ARG A 17) -2.68184512 +0 -27.54333398 +0 -1.92489299 +0 N(ATOM 260 N VAL A 18) 3.48036186 +0 -22.16795389 +0 -4.80749361 +0 C(ATOM 261 CA VAL A 18) 2.71814504 +0 -21.00439549 +0 -5.24962615 +0 C(ATOM 262 C VAL A 18) 1.78848518 +0 -21.50589218 +0 -6.35937805 +0 O(ATOM 263 O VAL A 18) 2.08671374 +0 -22.41352363 +0 -7.12100230 +0 C(ATOM 264 CB VAL A 18) 3.64429809 +0 -19.86533702 +0 -5.75364631 +0 C(ATOM 265 CG1 VAL A 18) 4.52674720 +0 -20.30754739 +0 -6.92066425 +0 C(ATOM 266 CG2 VAL A 18) 2.80484566 +0 -18.64795284 +0 -6.14618329 +0 H(ATOM 267 H VAL A 18) 3.99483351 +0 -22.68821697 +0 -5.52528522 +0 H(ATOM 268 HA VAL A 18) 2.10100639 +0 -20.60613166 +0 -4.38506303 +0 H(ATOM 269 HB VAL A 18) 4.30407320 +0 -19.58374252 +0 -4.89121044 +0 H(ATOM 270 1HG1 VAL A 18) 5.18309967 +0 -21.14275682 +0 -6.64360371 +0 H(ATOM 271 2HG1 VAL A 18) 3.92965086 +0 -20.63423146 +0 -7.78170360 +0 H(ATOM 272 3HG1 VAL A 18) 5.17199780 +0 -19.48841401 +0 -7.25777639 +0 H(ATOM 273 1HG2 VAL A 18) 2.07846141 +0 -18.38151148 +0 -5.36588080 +0 H(ATOM 274 2HG2 VAL A 18) 3.43806636 +0 -17.77132280 +0 -6.31777587 +0 H(ATOM 275 3HG2 VAL A 18) 2.23511274 +0 -18.82107896 +0 -7.06953977 +0 N(ATOM 276 N LEU A 19) 0.57179661 +0 -20.89501179 +0 -6.44070351 +0 C(ATOM 277 CA LEU A 19) -0.40818245 +0 -21.35102761 +0 -7.42309869 +0 C(ATOM 278 C LEU A 19) -0.31023051 +0 -20.40259167 +0 -8.62812698 +0 O(ATOM 279 O LEU A 19) -0.41263158 +0 -19.18486682 +0 -8.52951702 +0 C(ATOM 280 CB LEU A 19) -1.81535148 +0 -21.27610902 +0 -6.82051647 +0 C(ATOM 281 CG LEU A 19) -2.89263354 +0 -21.84242569 +0 -7.75869701 +0 C(ATOM 282 CD1 LEU A 19) -2.69690681 +0 -23.34180299 +0 -7.98987802 +0 C(ATOM 283 CD2 LEU A 19) -4.26894357 +0 -21.56972802 +0 -7.13761064 +0 H(ATOM 284 H LEU A 19) 0.27828281 +0 -20.17298302 +0 -5.78127523 +0 H(ATOM 285 HA LEU A 19) -0.17146880 +0 -22.41372214 +0 -7.73464417 +0 H(ATOM 286 1HB LEU A 19) -1.82631776 +0 -21.83427551 +0 -5.85714588 +0 H(ATOM 287 2HB LEU A 19) -2.05669371 +0 -20.22171736 +0 -6.56668379 +0 H(ATOM 288 HG LEU A 19) -2.83056906 +0 -21.31542666 +0 -8.74306626 +0 H(ATOM 289 1HD1 LEU A 19) -1.85257638 +0 -23.53197738 +0 -8.66516478 +0 H(ATOM 290 2HD1 LEU A 19) -2.48129929 +0 -23.87582764 +0 -7.05484094 +0 H(ATOM 291 3HD1 LEU A 19) -3.58110803 +0 -23.80239015 +0 -8.43774660 +0 H(ATOM 292 1HD2 LEU A 19) -4.39970595 +0 -20.50578537 +0 -6.90617384 +0 H(ATOM 293 2HD2 LEU A 19) -5.07418879 +0 -21.85401467 +0 -7.82321578 +0 H(ATOM 294 3HD2 LEU A 19) -4.39838639 +0 -22.12460663 +0 -6.20198341 +0 N(ATOM 295 N LEU A 20) -0.06083298 +0 -20.97501570 +0 -9.83672478 +0 C(ATOM 296 CA LEU A 20) -0.06299284 +0 -20.14452843 +0 -11.03821258 +0 C(ATOM 297 C LEU A 20) -1.07705201 +0 -20.77167505 +0 -12.00322033 +0 O(ATOM 298 O LEU A 20) -1.38645345 +0 -21.95325125 +0 -11.96896922 +0 C(ATOM 299 CB LEU A 20) 1.32004925 +0 -20.09565110 +0 -11.71348552 +0 C(ATOM 300 CG LEU A 20) 2.40734561 +0 -19.51265855 +0 -10.78850144 +0 C(ATOM 301 CD1 LEU A 20) 3.77945103 +0 -19.66004694 +0 -11.45895833 +0 C(ATOM 302 CD2 LEU A 20) 2.14405274 +0 -18.03758470 +0 -10.47068367 +0 H(ATOM 303 H LEU A 20) -0.02236407 +0 -21.98819322 +0 -9.98266037 +0 H(ATOM 304 HA LEU A 20) -0.38106599 +0 -19.08879811 +0 -10.77915361 +0 H(ATOM 305 1HB LEU A 20) 1.62096029 +0 -21.11360971 +0 -12.03540830 +0 H(ATOM 306 2HB LEU A 20) 1.24690007 +0 -19.47763070 +0 -12.63085201 +0 H(ATOM 307 HG LEU A 20) 2.41126103 +0 -20.09020180 +0 -9.83150321 +0 H(ATOM 308 1HD1 LEU A 20) 4.00579512 +0 -20.70937507 +0 -11.68209782 +0 H(ATOM 309 2HD1 LEU A 20) 3.83021719 +0 -19.09742472 +0 -12.39809313 +0 H(ATOM 310 3HD1 LEU A 20) 4.57574804 +0 -19.27867950 +0 -10.81026775 +0 H(ATOM 311 1HD2 LEU A 20) 1.22796679 +0 -17.91382844 +0 -9.87589899 +0 H(ATOM 312 2HD2 LEU A 20) 2.96323631 +0 -17.60548399 +0 -9.88798085 +0 H(ATOM 313 3HD2 LEU A 20) 2.03269991 +0 -17.43826590 +0 -11.38001798 +0 N(ATOM 314 N GLY A 21) -1.65527772 +0 -19.92571814 +0 -12.90040210 +0 C(ATOM 315 CA GLY A 21) -2.50534179 +0 -20.46037262 +0 -13.95104835 +0 C(ATOM 316 C GLY A 21) -1.82519142 +0 -20.22263272 +0 -15.29508679 +0 O(ATOM 317 O GLY A 21) -1.14814771 +0 -19.23655214 +0 -15.53920706 +0 H(ATOM 318 H GLY A 21) -1.40213815 +0 -18.94203931 +0 -12.97417668 +0 H(ATOM 319 1HA GLY A 21) -3.49445461 +0 -19.94164204 +0 -13.94048210 +0 H(ATOM 320 2HA GLY A 21) -2.70997879 +0 -21.55250183 +0 -13.78865608 +0 N(ATOM 321 N MET A 22) -2.02398758 +0 -21.19708521 +0 -16.22936389 +0 C(ATOM 322 CA MET A 22) -1.55970626 +0 -21.01421412 +0 -17.60000724 +0 C(ATOM 323 C MET A 22) -2.70386931 +0 -20.26877362 +0 -18.31282328 +0 O(ATOM 324 O MET A 22) -3.82702508 +0 -20.74674914 +0 -18.41297752 +0 C(ATOM 325 CB MET A 22) -1.32000984 +0 -22.37532695 +0 -18.26766514 +0 C(ATOM 326 CG MET A 22) -1.14811057 +0 -22.27415149 +0 -19.77396713 +0 S(ATOM 327 SD MET A 22) 0.14886459 +0 -21.09484235 +0 -20.29762783 +0 C(ATOM 328 CE MET A 22) 1.66248222 +0 -21.78028276 +0 -19.57618048 +0 H(ATOM 329 H MET A 22) -2.53500601 +0 -22.05531905 +0 -16.02354985 +0 H(ATOM 330 HA MET A 22) -0.61342563 +0 -20.40046384 +0 -17.60107635 +0 H(ATOM 331 1HB MET A 22) -2.16689543 +0 -23.06247224 +0 -18.04509189 +0 H(ATOM 332 2HB MET A 22) -0.43556507 +0 -22.86070188 +0 -17.79292668 +0 H(ATOM 333 1HG MET A 22) -0.92465444 +0 -23.27477193 +0 -20.19777611 +0 H(ATOM 334 2HG MET A 22) -2.08065632 +0 -21.92713563 +0 -20.26414145 +0 H(ATOM 335 1HE MET A 22) 2.52133398 +0 -21.26496390 +0 -20.02792716 +0 H(ATOM 336 2HE MET A 22) 1.70380399 +0 -21.61897085 +0 -18.49066732 +0 H(ATOM 337 3HE MET A 22) 1.77199592 +0 -22.85370947 +0 -19.76551657 +0 N(ATOM 338 N LYS A 23) -2.38138795 +0 -19.04221963 +0 -18.81032388 +0 C(ATOM 339 CA LYS A 23) -3.40165642 +0 -18.20532185 +0 -19.43790552 +0 C(ATOM 340 C LYS A 23) -3.70737062 +0 -18.83534811 +0 -20.80793281 +0 O(ATOM 341 O LYS A 23) -2.86174893 +0 -19.06608525 +0 -21.65891737 +0 C(ATOM 342 CB LYS A 23) -2.88949224 +0 -16.77084509 +0 -19.60214914 +0 C(ATOM 343 CG LYS A 23) -3.98013668 +0 -15.82933883 +0 -20.11727294 +0 C(ATOM 344 CD LYS A 23) -5.00093894 +1 -15.55377746 +1 -19.01033916 +1 C(ATOM 345 CE LYS A 23) -5.97457544 +1 -14.44990092 +1 -19.40388946 +1 N(ATOM 346 NZ LYS A 23) -5.22585054 +1 -13.13316108 +1 -19.45353247 +1 H(ATOM 347 H LYS A 23) -1.45721036 +0 -18.62835662 +0 -18.66184152 +0 H(ATOM 348 HA LYS A 23) -4.33676045 +0 -18.21286916 +0 -18.79709048 +0 H(ATOM 349 1HB LYS A 23) -2.00536670 +0 -16.74438591 +0 -20.27559800 +0 H(ATOM 350 2HB LYS A 23) -2.51480121 +0 -16.40270007 +0 -18.62039671 +0 H(ATOM 351 1HG LYS A 23) -3.50762919 +1 -14.88556173 +1 -20.45893471 +1 H(ATOM 352 2HG LYS A 23) -4.47420694 +0 -16.23181045 +0 -21.02338757 +0 H(ATOM 353 1HD LYS A 23) -4.47897506 +1 -15.27530889 +1 -18.06271378 +1 H(ATOM 354 2HD LYS A 23) -5.55656682 +0 -16.47992514 +0 -18.75702191 +0 H(ATOM 355 1HE LYS A 23) -6.45106546 +1 -14.64033247 +1 -20.39753190 +1 H(ATOM 356 2HE LYS A 23) -6.80000756 +1 -14.35869714 +1 -18.65887195 +1 H(ATOM 357 1HZ LYS A 23) -4.71073605 +1 -13.02654835 +1 -20.34033147 +1 H(ATOM 358 2HZ LYS A 23) -5.88537410 +1 -12.32682206 +1 -19.36825824 +1 H(ATOM 359 3HZ LYS A 23) -4.54868394 +1 -13.07443493 +1 -18.66128852 +1 N(ATOM 360 N LYS A 24) -5.02162583 +0 -19.12761684 +0 -21.04427670 +0 C(ATOM 361 CA LYS A 24) -5.42166736 +0 -19.96096835 +0 -22.17545009 +0 C(ATOM 362 C LYS A 24) -5.87242936 +0 -19.11527333 +0 -23.37724019 +0 O(ATOM 363 O LYS A 24) -5.95804957 +0 -19.60831108 +0 -24.49192531 +0 C(ATOM 364 CB LYS A 24) -6.60885301 +0 -20.84015462 +0 -21.74602314 +0 C(ATOM 365 CG LYS A 24) -6.13946779 +0 -21.94578989 +0 -20.79383806 +0 C(ATOM 366 CD LYS A 24) -7.31435698 +0 -22.57404628 +0 -20.04256659 +0 C(ATOM 367 CE LYS A 24) -8.34916383 +0 -23.12442858 +0 -21.02589847 +0 N(ATOM 368 NZ LYS A 24) -9.36160280 +0 -23.95005603 +0 -20.27333606 +0 H(ATOM 369 H LYS A 24) -5.74016054 +0 -18.98388295 +0 -20.32640063 +0 H(ATOM 370 HA LYS A 24) -4.55522429 +0 -20.59715776 +0 -22.52334859 +0 H(ATOM 371 1HB LYS A 24) -7.08750817 +0 -21.27824563 +0 -22.64426401 +0 H(ATOM 372 2HB LYS A 24) -7.39234262 +0 -20.21954031 +0 -21.25811224 +0 H(ATOM 373 1HG LYS A 24) -5.58994301 +0 -22.71747269 +0 -21.36899654 +0 H(ATOM 374 2HG LYS A 24) -5.41629322 +0 -21.53277539 +0 -20.05313554 +0 H(ATOM 375 1HD LYS A 24) -7.78348336 +0 -21.82649932 +0 -19.36869269 +0 H(ATOM 376 2HD LYS A 24) -6.94209958 +0 -23.37917562 +0 -19.37417020 +0 H(ATOM 377 1HE LYS A 24) -8.87604950 +0 -22.29912844 +0 -21.55443419 +0 H(ATOM 378 2HE LYS A 24) -7.86880223 +0 -23.76179018 +0 -21.80616834 +0 H(ATOM 379 1HZ LYS A 24) -9.82813261 +0 -23.37513076 +0 -19.55693376 +0 H(ATOM 380 2HZ LYS A 24) -10.08497201 +0 -24.32424446 +0 -20.90711277 +0 H(ATOM 381 3HZ LYS A 24) -8.86470992 +0 -24.78190910 +0 -19.79282371 +0 N(ATOM 382 N ARG A 25) -6.19339816 +0 -17.81507548 +0 -23.13943370 +0 C(ATOM 383 CA ARG A 25) -6.69223282 +0 -16.94598898 +0 -24.20453262 +0 C(ATOM 384 C ARG A 25) -6.42584346 +0 -15.50246638 +0 -23.73997603 +0 O(ATOM 385 O ARG A 25) -6.14504123 +0 -15.24669899 +0 -22.57638729 +0 C(ATOM 386 CB ARG A 25) -8.19989610 +0 -17.16803981 +0 -24.44934392 +0 C(ATOM 387 CG ARG A 25) -9.03824933 +0 -16.95134194 +0 -23.18785196 +0 C(ATOM 388 CD ARG A 25) -10.55015542 +0 -16.96040746 +0 -23.46199372 +0 N(ATOM 389 NE ARG A 25) -11.01082605 +0 -18.26090116 +0 -23.99569605 +0 C(ATOM 390 CZ ARG A 25) -12.36143195 +0 -18.62753047 +0 -23.85811845 +0 N(ATOM 391 NH1 ARG A 25) -13.27287905 +0 -17.68448082 +0 -23.36409515 +0 N(ATOM 392 NH2 ARG A 25) -12.70160123 +0 -19.84987772 +0 -24.18700406 +0 H(ATOM 393 H ARG A 25) -6.12573905 +0 -17.38894841 +0 -22.21821074 +0 H(ATOM 394 HA ARG A 25) -6.12844512 +0 -17.15759714 +0 -25.15955417 +0 H(ATOM 395 1HB ARG A 25) -8.34810477 +0 -18.19862213 +0 -24.83758571 +0 H(ATOM 396 2HB ARG A 25) -8.54315423 +0 -16.50058293 +0 -25.26613291 +0 H(ATOM 397 1HG ARG A 25) -8.78320982 +0 -17.70949858 +0 -22.42273699 +0 H(ATOM 398 2HG ARG A 25) -8.78029087 +0 -15.96694081 +0 -22.73327441 +0 H(ATOM 399 1HD ARG A 25) -11.07655349 +0 -16.67931662 +0 -22.51897606 +0 H(ATOM 400 2HD ARG A 25) -10.80533623 +0 -16.17937078 +0 -24.21884247 +0 H(ATOM 401 HE ARG A 25) -10.36260006 +0 -19.04315253 +0 -23.83914683 +0 H(ATOM 402 1HH1 ARG A 25) -14.25543301 +0 -17.81988975 +0 -23.56888803 +0 H(ATOM 403 2HH1 ARG A 25) -13.02704145 +0 -16.70718546 +0 -23.35180299 +0 H(ATOM 404 HH2 ARG A 25) -13.67604336 +0 -20.10730491 +0 -24.11525819 +0 N(ATOM 405 N GLY A 26) -6.53248056 +0 -14.53325659 +0 -24.68800814 +0 C(ATOM 406 CA GLY A 26) -6.45431602 +0 -13.13754166 +0 -24.29122861 +0 C(ATOM 407 C GLY A 26) -5.02566613 +0 -12.70672272 +0 -23.97124394 +0 O(ATOM 408 O GLY A 26) -4.02564287 +0 -13.20932457 +0 -24.45786843 +0 H(ATOM 409 H GLY A 26) -6.73940815 +0 -14.73320787 +0 -25.67244694 +0 H(ATOM 410 1HA GLY A 26) -7.13276684 +0 -12.94975791 +0 -23.41524072 +0 H(ATOM 411 2HA GLY A 26) -6.83939985 +0 -12.48790092 +0 -25.12270126 +0 N(ATOM 412 N PHE A 27) -4.94166496 +1 -11.64112357 +1 -23.10791917 +1 C(ATOM 413 CA PHE A 27) -3.69433679 +1 -10.92227959 +1 -22.86419804 +1 C(ATOM 414 C PHE A 27) -2.76506340 +1 -11.78169553 +1 -21.99364651 +1 O(ATOM 415 O PHE A 27) -3.10414319 +1 -12.24742021 +1 -20.91323970 +1 C(ATOM 416 CB PHE A 27) -4.00147133 +1 -9.63127603 +1 -22.07622919 +1 C(ATOM 417 CG PHE A 27) -2.79558202 +1 -8.75292879 +1 -21.98147280 +1 C(ATOM 418 CD1 PHE A 27) -2.30397576 +0 -8.13024276 +0 -23.13021764 +0 C(ATOM 419 CD2 PHE A 27) -2.18357829 +1 -8.52358777 +1 -20.74777369 +1 C(ATOM 420 CE1 PHE A 27) -1.20902219 +0 -7.27364091 +0 -23.04180096 +0 C(ATOM 421 CE2 PHE A 27) -1.08605142 +1 -7.66945524 +1 -20.66368514 +1 C(ATOM 422 CZ PHE A 27) -0.59886987 +1 -7.04302042 +1 -21.80961078 +1 H(ATOM 423 H PHE A 27) -5.73848778 +1 -11.37666098 +1 -22.50998407 +1 H(ATOM 424 HA PHE A 27) -3.21645496 +0 -10.66276525 +0 -23.85833156 +0 H(ATOM 425 1HB PHE A 27) -4.41101704 +1 -9.87689911 +1 -21.06998515 +1 H(ATOM 426 2HB PHE A 27) -4.82987652 +1 -9.07369439 +1 -22.57661088 +1 H(ATOM 427 HD1 PHE A 27) -2.78755758 +0 -8.29572453 +0 -24.09230625 +0 H(ATOM 428 HD2 PHE A 27) -2.57442822 +1 -8.99300917 +1 -19.84747991 +1 H(ATOM 429 HE1 PHE A 27) -0.83531512 +0 -6.77901079 +0 -23.93749522 +0 H(ATOM 430 HE2 PHE A 27) -0.61185847 +1 -7.48462848 +1 -19.69656955 +1 H(ATOM 431 HZ PHE A 27) 0.25468307 +1 -6.36522738 +1 -21.73815095 +1 N(ATOM 432 N GLY A 28) -1.50439720 +0 -12.01831389 +0 -22.46966576 +0 C(ATOM 433 CA GLY A 28) -0.63023964 +0 -12.94685575 +0 -21.76010840 +0 C(ATOM 434 C GLY A 28) -0.89532835 +0 -14.42352997 +0 -22.06189099 +0 O(ATOM 435 O GLY A 28) -0.30020185 +0 -15.28251268 +0 -21.42465326 +0 H(ATOM 436 H GLY A 28) -1.15970258 +0 -11.64308838 +0 -23.34414191 +0 H(ATOM 437 1HA GLY A 28) -0.73428993 +0 -12.81066631 +0 -20.64895507 +0 H(ATOM 438 2HA GLY A 28) 0.43622365 +0 -12.71955432 +0 -22.01313883 +0 N(ATOM 439 N ALA A 29) -1.76515528 +0 -14.77013337 +0 -23.05399349 +0 C(ATOM 440 CA ALA A 29) -2.02569395 +0 -16.19126196 +0 -23.31833912 +0 C(ATOM 441 C ALA A 29) -0.68246016 +0 -16.91301934 +0 -23.55006305 +0 O(ATOM 442 O ALA A 29) 0.18112896 +0 -16.49454330 +0 -24.29908162 +0 C(ATOM 443 CB ALA A 29) -2.87902664 +0 -16.37036888 +0 -24.57101416 +0 H(ATOM 444 H ALA A 29) -2.32736708 +0 -14.10260591 +0 -23.57425406 +0 H(ATOM 445 HA ALA A 29) -2.56210513 +0 -16.62833586 +0 -22.42736137 +0 H(ATOM 446 1HB ALA A 29) -3.73695511 +0 -15.67911168 +0 -24.57960738 +0 H(ATOM 447 2HB ALA A 29) -2.31750846 +0 -16.17092546 +0 -25.49654973 +0 H(ATOM 448 3HB ALA A 29) -3.28712304 +0 -17.38664032 +0 -24.63757696 +0 N(ATOM 449 N GLY A 30) -0.55989914 +0 -18.12016849 +0 -22.91133874 +0 C(ATOM 450 CA GLY A 30) 0.64449370 +0 -18.91938130 +0 -23.06089788 +0 C(ATOM 451 C GLY A 30) 1.67861374 +0 -18.69112063 +0 -21.96100218 +0 O(ATOM 452 O GLY A 30) 2.69884900 +0 -19.38126961 +0 -21.95611017 +0 H(ATOM 453 H GLY A 30) -1.24725019 +0 -18.44423416 +0 -22.22728928 +0 H(ATOM 454 1HA GLY A 30) 1.13482149 +0 -18.72419314 +0 -24.05161621 +0 H(ATOM 455 2HA GLY A 30) 0.37048957 +0 -20.00771652 +0 -23.06772877 +0 N(ATOM 456 N ARG A 31) 1.42005261 +0 -17.77436829 +0 -20.99323106 +0 C(ATOM 457 CA ARG A 31) 2.33213220 +0 -17.56123325 +0 -19.87285050 +0 C(ATOM 458 C ARG A 31) 1.58265573 +0 -17.93232348 +0 -18.58085443 +0 O(ATOM 459 O ARG A 31) 0.41281301 +0 -17.63887006 +0 -18.40129889 +0 C(ATOM 460 CB ARG A 31) 2.73705848 +0 -16.08040668 +0 -19.79183036 +0 C(ATOM 461 CG ARG A 31) 3.76693117 +0 -15.81880680 +0 -20.88676600 +0 C(ATOM 462 CD ARG A 31) 3.90338273 +0 -14.31879778 +0 -21.16990491 +0 N(ATOM 463 NE ARG A 31) 5.13456359 +0 -14.14433203 +0 -21.95898822 +0 C(ATOM 464 CZ ARG A 31) 5.47956334 +0 -12.97166527 +0 -22.54674043 +0 N(ATOM 465 NH1 ARG A 31) 4.72606720 +0 -11.84340999 +0 -22.40858459 +0 N(ATOM 466 NH2 ARG A 31) 6.68146297 +0 -12.90719808 +0 -23.21741693 +0 H(ATOM 467 H ARG A 31) 0.64329749 +0 -17.11227479 +0 -21.06044020 +0 H(ATOM 468 HA ARG A 31) 3.24791269 +0 -18.21509432 +0 -19.99212211 +0 H(ATOM 469 1HB ARG A 31) 1.84211800 +0 -15.42541554 +0 -19.89789953 +0 H(ATOM 470 2HB ARG A 31) 3.14597457 +0 -15.83589687 +0 -18.79081047 +0 H(ATOM 471 1HG ARG A 31) 3.47366323 +0 -16.34521458 +0 -21.82270795 +0 H(ATOM 472 2HG ARG A 31) 4.74344151 +0 -16.25853855 +0 -20.58741608 +0 H(ATOM 473 1HD ARG A 31) 3.01365887 +0 -13.95259878 +0 -21.73313624 +0 H(ATOM 474 2HD ARG A 31) 3.96645935 +0 -13.73440377 +0 -20.22012297 +0 H(ATOM 475 HE ARG A 31) 5.65991535 +0 -15.01437701 +0 -22.17965574 +0 H(ATOM 476 1HH1 ARG A 31) 5.08659110 +0 -10.95505455 +0 -22.76753671 +0 H(ATOM 477 2HH1 ARG A 31) 3.96591373 +0 -11.79097753 +0 -21.74844229 +0 H(ATOM 478 1HH2 ARG A 31) 6.84041938 +0 -12.13766243 +0 -23.88770160 +0 H(ATOM 479 2HH2 ARG A 31) 7.09948421 +0 -13.78682641 +0 -23.51058172 +0 N(ATOM 480 N TRP A 32) 2.35254602 +0 -18.59276993 +0 -17.66340793 +0 C(ATOM 481 CA TRP A 32) 1.87897862 +0 -18.82743746 +0 -16.30674112 +0 C(ATOM 482 C TRP A 32) 1.79582561 +0 -17.47093733 +0 -15.58707509 +0 O(ATOM 483 O TRP A 32) 2.60948285 +0 -16.57896548 +0 -15.76925248 +0 C(ATOM 484 CB TRP A 32) 2.88127200 +0 -19.67895527 +0 -15.49790360 +0 C(ATOM 485 CG TRP A 32) 2.98897480 +0 -21.04288290 +0 -16.03832071 +0 C(ATOM 486 CD1 TRP A 32) 3.99269459 +0 -21.52625176 +0 -16.86691430 +0 N(ATOM 487 NE1 TRP A 32) 3.75709669 +0 -22.86697562 +0 -17.15868441 +0 C(ATOM 488 CD2 TRP A 32) 2.07645668 +0 -22.12137432 +0 -15.79761509 +0 C(ATOM 489 CE2 TRP A 32) 2.58026642 +0 -23.25322671 +0 -16.51903505 +0 C(ATOM 490 CE3 TRP A 32) 0.89431158 +0 -22.24375861 +0 -15.05888189 +0 C(ATOM 491 CZ2 TRP A 32) 1.89609240 +0 -24.47773719 +0 -16.52631338 +0 C(ATOM 492 CZ3 TRP A 32) 0.22396453 +0 -23.45025863 +0 -15.07610588 +0 C(ATOM 493 CH2 TRP A 32) 0.71622079 +0 -24.55055190 +0 -15.81309229 +0 H(ATOM 494 H TRP A 32) 3.35350153 +0 -18.71808296 +0 -17.82115551 +0 H(ATOM 495 HA TRP A 32) 0.86835945 +0 -19.32993463 +0 -16.34754608 +0 H(ATOM 496 1HB TRP A 32) 2.55423045 +0 -19.71576836 +0 -14.43263349 +0 H(ATOM 497 2HB TRP A 32) 3.87600015 +0 -19.17964578 +0 -15.48036625 +0 H(ATOM 498 HD1 TRP A 32) 4.84212099 +0 -21.00475032 +0 -17.27125744 +0 H(ATOM 499 HE1 TRP A 32) 4.38074530 +0 -23.45678146 +0 -17.68002879 +0 H(ATOM 500 HE3 TRP A 32) 0.51893893 +0 -21.39466928 +0 -14.49337295 +0 H(ATOM 501 HZ2 TRP A 32) 2.28607939 +0 -25.32710960 +0 -17.08074480 +0 H(ATOM 502 HZ3 TRP A 32) -0.71287019 +0 -23.56373805 +0 -14.52700182 +0 H(ATOM 503 HH2 TRP A 32) 0.13401048 +0 -25.47265459 +0 -15.81698223 +0 N(ATOM 504 N ASN A 33) 0.80186604 +0 -17.35755220 +0 -14.65012092 +0 C(ATOM 505 CA ASN A 33) 0.59433109 +1 -16.05764699 +1 -14.02450098 +1 C(ATOM 506 C ASN A 33) -0.23684774 +1 -16.25727091 +1 -12.75219936 +1 O(ATOM 507 O ASN A 33) -0.87003008 +0 -17.27254221 +0 -12.52957451 +0 C(ATOM 508 CB ASN A 33) -0.18765813 +1 -15.12868032 +1 -14.97452663 +1 C(ATOM 509 CG ASN A 33) 0.19929542 +1 -13.69878317 +1 -14.72644901 +1 O(ATOM 510 OD1 ASN A 33) 0.68451338 +1 -13.35311688 +1 -13.64516400 +1 N(ATOM 511 ND2 ASN A 33) -0.01180915 +1 -12.79474224 +1 -15.71359772 +1 H(ATOM 512 H ASN A 33) -0.01398507 +0 -17.98326969 +0 -14.65908535 +0 H(ATOM 513 HA ASN A 33) 1.59686651 +1 -15.60285036 +1 -13.76983244 +1 H(ATOM 514 1HB ASN A 33) -1.28843832 +1 -15.24579761 +1 -14.84450266 +1 H(ATOM 515 2HB ASN A 33) 0.01131136 +1 -15.41081101 +1 -16.04037421 +1 H(ATOM 516 1HD2 ASN A 33) 0.16428702 +1 -11.81895554 +1 -15.53335959 +1 H(ATOM 517 2HD2 ASN A 33) -0.37237851 +1 -13.05157788 +1 -16.61725650 +1 N(ATOM 518 N GLY A 34) -0.20970869 +1 -15.20975425 +1 -11.85419243 +1 C(ATOM 519 CA GLY A 34) -1.28636353 +0 -15.16069769 +0 -10.87952765 +0 C(ATOM 520 C GLY A 34) -2.60507073 +0 -14.80333686 +0 -11.57092788 +0 O(ATOM 521 O GLY A 34) -2.69951600 +1 -14.63153783 +1 -12.77819327 +1 H(ATOM 522 H GLY A 34) 0.15720460 +1 -14.30241467 +1 -12.18560197 +1 H(ATOM 523 1HA GLY A 34) -1.04240862 +0 -14.41827241 +0 -10.08094276 +0 H(ATOM 524 2HA GLY A 34) -1.39787415 +0 -16.15633883 +0 -10.37364910 +0 N(ATOM 525 N PHE A 35) -3.68036843 +0 -14.76320343 +0 -10.72914417 +0 C(ATOM 526 CA PHE A 35) -5.03115554 +0 -14.63277549 +0 -11.25675184 +0 C(ATOM 527 C PHE A 35) -5.43472237 +1 -13.16204326 +1 -11.17618025 +1 O(ATOM 528 O PHE A 35) -4.95174866 +1 -12.39148990 +1 -10.35262448 +1 C(ATOM 529 CB PHE A 35) -6.02455620 +0 -15.46989917 +0 -10.42328009 +0 C(ATOM 530 CG PHE A 35) -5.58250395 +0 -16.90004929 +0 -10.43549995 +0 C(ATOM 531 CD1 PHE A 35) -5.87370035 +0 -17.70020484 +0 -11.54160035 +0 C(ATOM 532 CD2 PHE A 35) -4.83332885 +0 -17.41849293 +0 -9.37814720 +0 C(ATOM 533 CE1 PHE A 35) -5.41575634 +0 -19.01376633 +0 -11.59079125 +0 C(ATOM 534 CE2 PHE A 35) -4.36458857 +0 -18.72880443 +0 -9.43768418 +0 C(ATOM 535 CZ PHE A 35) -4.65426250 +0 -19.52732336 +0 -10.54204823 +0 H(ATOM 536 H PHE A 35) -3.55669391 +0 -14.70058939 +0 -9.71619030 +0 H(ATOM 537 HA PHE A 35) -5.05834681 +0 -14.98183789 +0 -12.33399974 +0 H(ATOM 538 1HB PHE A 35) -7.04212168 +0 -15.36073878 +0 -10.86523311 +0 H(ATOM 539 2HB PHE A 35) -6.10027668 +0 -15.07177059 +0 -9.39142123 +0 H(ATOM 540 HD1 PHE A 35) -6.44180952 +0 -17.27900465 +0 -12.36981967 +0 H(ATOM 541 HD2 PHE A 35) -4.59912728 +0 -16.80040742 +0 -8.51238519 +0 H(ATOM 542 HE1 PHE A 35) -5.64641195 +0 -19.63896718 +0 -12.45240003 +0 H(ATOM 543 HE2 PHE A 35) -3.76046424 +0 -19.11787790 +0 -8.61602865 +0 H(ATOM 544 HZ PHE A 35) -4.27736730 +0 -20.54704765 +0 -10.59098590 +0 N(ATOM 545 N GLY A 36) -6.38247582 +1 -12.70529235 +1 -12.03762690 +1 C(ATOM 546 CA GLY A 36) -6.67328472 +1 -11.27858690 +1 -11.95731262 +1 C(ATOM 547 C GLY A 36) -7.30347245 +1 -10.76561133 +1 -13.23947506 +1 O(ATOM 548 O GLY A 36) -7.75577992 +1 -11.48676842 +1 -14.10962900 +1 H(ATOM 549 H GLY A 36) -6.75874216 +1 -13.22627823 +1 -12.83332665 +1 H(ATOM 550 1HA GLY A 36) -5.72016676 +1 -10.71676509 +1 -11.73644827 +1 H(ATOM 551 2HA GLY A 36) -7.34884302 +1 -11.08255084 +1 -11.08650338 +1 N(ATOM 552 N GLY A 37) -7.38312999 +1 -9.39552282 +1 -13.27338797 +1 C(ATOM 553 CA GLY A 37) -7.79186050 +1 -8.74016847 +1 -14.50753612 +1 C(ATOM 554 C GLY A 37) -8.21752835 +1 -7.31447618 +1 -14.21790947 +1 O(ATOM 555 O GLY A 37) -7.83778723 +1 -6.68019344 +1 -13.24156668 +1 H(ATOM 556 H GLY A 37) -6.88644083 +1 -8.81756286 +1 -12.59759484 +1 H(ATOM 557 1HA GLY A 37) -8.60214785 +1 -9.33399804 +1 -15.00469766 +1 H(ATOM 558 2HA GLY A 37) -6.93435303 +1 -8.70775450 +1 -15.23753944 +1 N(ATOM 559 N LYS A 38) -8.98630464 +1 -6.73419778 +1 -15.18374097 +1 C(ATOM 560 CA LYS A 38) -9.43840480 +0 -5.34935326 +0 -15.04062717 +0 C(ATOM 561 C LYS A 38) -10.32439034 +0 -5.24154341 +0 -13.78462382 +0 O(ATOM 562 O LYS A 38) -11.15222128 +0 -6.09057069 +0 -13.49748099 +0 C(ATOM 563 CB LYS A 38) -10.29308504 +0 -4.92586349 +0 -16.24639060 +0 C(ATOM 564 CG LYS A 38) -9.47236650 +1 -4.96666264 +1 -17.53764273 +1 C(ATOM 565 CD LYS A 38) -10.32769573 +0 -4.57824798 +0 -18.74745504 +0 C(ATOM 566 CE LYS A 38) -9.40769443 +0 -4.15219799 +0 -19.90358768 +0 N(ATOM 567 NZ LYS A 38) -10.23033192 +0 -3.77066627 +0 -21.08346615 +0 H(ATOM 568 H LYS A 38) -9.27445267 +1 -7.24143041 +1 -16.00727775 +1 H(ATOM 569 HA LYS A 38) -8.52530395 +0 -4.69284140 +0 -14.94552565 +0 H(ATOM 570 1HB LYS A 38) -10.68272587 +0 -3.90079531 +0 -16.08048478 +0 H(ATOM 571 2HB LYS A 38) -11.20256049 +0 -5.56064172 +0 -16.33570332 +0 H(ATOM 572 1HG LYS A 38) -8.60052826 +0 -4.28837210 +0 -17.44829378 +0 H(ATOM 573 2HG LYS A 38) -9.03139897 +1 -5.96784515 +1 -17.71049288 +1 H(ATOM 574 1HD LYS A 38) -11.02383796 +0 -3.75747881 +0 -18.49405270 +0 H(ATOM 575 2HD LYS A 38) -10.97443032 +0 -5.41973923 +0 -19.06199572 +0 H(ATOM 576 1HE LYS A 38) -8.75270585 +0 -3.31422366 +0 -19.57604313 +0 H(ATOM 577 2HE LYS A 38) -8.73855097 +1 -4.99032467 +1 -20.19750192 +1 H(ATOM 578 1HZ LYS A 38) -10.80731462 +0 -2.97249733 +0 -20.83279096 +0 H(ATOM 579 2HZ LYS A 38) -9.62382929 +0 -3.47326169 +0 -21.84321847 +0 N(ATOM 580 N VAL A 39) -10.16029769 +0 -4.10491291 +0 -13.05373525 +0 C(ATOM 581 CA VAL A 39) -11.10494199 +0 -3.75239837 +0 -11.99537058 +0 C(ATOM 582 C VAL A 39) -12.28314957 +0 -3.03017668 +0 -12.67559538 +0 O(ATOM 583 O VAL A 39) -12.11306544 +0 -2.17140856 +0 -13.53802170 +0 C(ATOM 584 CB VAL A 39) -10.43825037 +0 -2.80570996 +0 -10.96873183 +0 C(ATOM 585 CG1 VAL A 39) -11.46298185 +0 -2.34944835 +0 -9.93346710 +0 C(ATOM 586 CG2 VAL A 39) -9.28196938 +0 -3.55723327 +0 -10.30377693 +0 H(ATOM 587 H VAL A 39) -9.44305624 +0 -3.42337958 +0 -13.28433680 +0 H(ATOM 588 HA VAL A 39) -11.46397096 +0 -4.69625906 +0 -11.48067760 +0 H(ATOM 589 HB VAL A 39) -10.04255849 +0 -1.90680296 +0 -11.50432443 +0 H(ATOM 590 1HG1 VAL A 39) -12.29302307 +0 -1.78557711 +0 -10.38456461 +0 H(ATOM 591 2HG1 VAL A 39) -11.91309960 +0 -3.19188045 +0 -9.39186246 +0 H(ATOM 592 3HG1 VAL A 39) -11.01304895 +0 -1.68297989 +0 -9.18845792 +0 H(ATOM 593 1HG2 VAL A 39) -8.49263514 +0 -3.79548389 +0 -11.02788577 +0 H(ATOM 594 2HG2 VAL A 39) -8.83007185 +0 -2.97184003 +0 -9.49865539 +0 H(ATOM 595 3HG2 VAL A 39) -9.62876039 +0 -4.51062137 +0 -9.87881738 +0 N(ATOM 596 N GLN A 40) -13.51340676 +0 -3.46146507 +0 -12.30073726 +0 C(ATOM 597 CA GLN A 40) -14.72635907 +0 -2.93218159 +0 -12.89742199 +0 C(ATOM 598 C GLN A 40) -15.23634330 +0 -1.72219942 +0 -12.09504619 +0 O(ATOM 599 O GLN A 40) -14.95876887 +0 -1.49147892 +0 -10.93864515 +0 C(ATOM 600 CB GLN A 40) -15.84419844 +0 -3.99649443 +0 -12.84488460 +0 C(ATOM 601 CG GLN A 40) -15.48708463 +0 -5.19118970 +0 -13.72473861 +0 C(ATOM 602 CD GLN A 40) -16.57035053 +0 -6.23633274 +0 -13.65378826 +0 O(ATOM 603 OE1 GLN A 40) -17.57047607 +0 -6.12915747 +0 -12.95796161 +0 N(ATOM 604 NE2 GLN A 40) -16.38734172 +0 -7.36440099 +0 -14.41341087 +0 H(ATOM 605 H GLN A 40) -13.63368570 +0 -4.14534593 +0 -11.51093620 +0 H(ATOM 606 HA GLN A 40) -14.51317017 +0 -2.62672529 +0 -13.96080031 +0 H(ATOM 607 1HB GLN A 40) -16.00657276 +0 -4.33581185 +0 -11.79683047 +0 H(ATOM 608 2HB GLN A 40) -16.81727644 +0 -3.56467615 +0 -13.15851711 +0 H(ATOM 609 1HG GLN A 40) -14.51678571 +0 -5.62879730 +0 -13.39299756 +0 H(ATOM 610 2HG GLN A 40) -15.32721877 +0 -4.87143490 +0 -14.77870458 +0 H(ATOM 611 1HE2 GLN A 40) -15.60793799 +0 -7.48343576 +0 -15.02773170 +0 H(ATOM 612 2HE2 GLN A 40) -17.07848005 +0 -8.09482397 +0 -14.43674265 +0 N(ATOM 613 N GLU A 41) -16.05844646 +0 -0.88286709 +0 -12.82612034 +0 C(ATOM 614 CA GLU A 41) -16.79992144 +0 0.18966838 +0 -12.16669479 +0 C(ATOM 615 C GLU A 41) -17.75156015 +0 -0.45585674 +0 -11.14008551 +0 O(ATOM 616 O GLU A 41) -18.38513977 +0 -1.46603407 +0 -11.41584089 +0 C(ATOM 617 CB GLU A 41) -17.65374977 +0 0.96848721 +0 -13.17898245 +0 C(ATOM 618 CG GLU A 41) -16.77763262 +0 1.60368691 +0 -14.25548281 +0 C(ATOM 619 CD GLU A 41) -17.60770167 +0 2.36159947 +0 -15.23365022 +0 O(ATOM 620 OE1 GLU A 41) -18.81431397 +0 2.40903224 +0 -15.30848374 +0 O(ATOM 621 OE2 GLU A 41) -16.84148029 +0 3.03172591 +0 -16.11267930 +0 H(ATOM 622 H GLU A 41) -16.41528960 +0 -1.18002665 +0 -13.72045313 +0 H(ATOM 623 HA GLU A 41) -16.06279947 +0 0.87826466 +0 -11.66025424 +0 H(ATOM 624 1HB GLU A 41) -18.22849446 +0 1.76087456 +0 -12.64108274 +0 H(ATOM 625 2HB GLU A 41) -18.43293657 +0 0.31629602 +0 -13.62541513 +0 H(ATOM 626 1HG GLU A 41) -16.01654008 +0 2.28065162 +0 -13.78976180 +0 H(ATOM 627 2HG GLU A 41) -16.15792413 +0 0.84923441 +0 -14.79544637 +0 H(ATOM 628 HE2 GLU A 41) -17.34958252 +0 3.56315861 +0 -16.79850779 +0 N(ATOM 629 N GLY A 42) -17.85158219 +0 0.17231362 +0 -9.93768615 +0 C(ATOM 630 CA GLY A 42) -18.73604854 +0 -0.34085553 +0 -8.90445317 +0 C(ATOM 631 C GLY A 42) -18.10133894 +0 -1.37268360 +0 -7.97889548 +0 O(ATOM 632 O GLY A 42) -18.76163014 +0 -1.80511252 +0 -7.03882886 +0 H(ATOM 633 H GLY A 42) -17.26348137 +0 0.96958222 +0 -9.68995701 +0 H(ATOM 634 1HA GLY A 42) -19.66185361 +0 -0.78843217 +0 -9.35633090 +0 H(ATOM 635 2HA GLY A 42) -19.09681222 +0 0.51574188 +0 -8.27052109 +0 N(ATOM 636 N GLU A 43) -16.82212548 +0 -1.79097647 +0 -8.18458088 +0 C(ATOM 637 CA GLU A 43) -16.19572831 +0 -2.70809282 +0 -7.22972845 +0 C(ATOM 638 C GLU A 43) -14.87208629 +0 -2.06446017 +0 -6.79052817 +0 O(ATOM 639 O GLU A 43) -14.25620165 +0 -1.28259894 +0 -7.49530916 +0 C(ATOM 640 CB GLU A 43) -15.93782894 +0 -4.09885347 +0 -7.84710053 +0 C(ATOM 641 CG GLU A 43) -14.78960689 +0 -4.10516049 +0 -8.84665622 +0 C(ATOM 642 CD GLU A 43) -14.61072619 +0 -5.43119807 +0 -9.55190130 +0 O(ATOM 643 OE1 GLU A 43) -15.25841889 +0 -6.44426537 +0 -9.22731540 +0 O(ATOM 644 OE2 GLU A 43) -13.73992344 +0 -5.45814433 +0 -10.46658261 +0 H(ATOM 645 H GLU A 43) -16.23945593 +0 -1.46711013 +0 -8.95444945 +0 H(ATOM 646 HA GLU A 43) -16.87638067 +0 -2.83195716 +0 -6.33236051 +0 H(ATOM 647 1HB GLU A 43) -16.87179547 +0 -4.45955687 +0 -8.32882223 +0 H(ATOM 648 2HB GLU A 43) -15.73321874 +0 -4.82621758 +0 -7.03384257 +0 H(ATOM 649 1HG GLU A 43) -14.91406633 +0 -3.29945876 +0 -9.60194347 +0 H(ATOM 650 2HG GLU A 43) -13.82732745 +0 -3.85692810 +0 -8.33859416 +0 N(ATOM 651 N THR A 44) -14.42760666 +0 -2.39650830 +0 -5.53951636 +0 C(ATOM 652 CA THR A 44) -13.10895064 +0 -1.96240510 +0 -5.11062756 +0 C(ATOM 653 C THR A 44) -12.05062787 +0 -2.84468617 +0 -5.78458181 +0 O(ATOM 654 O THR A 44) -12.31590592 +0 -3.90253073 +0 -6.32404694 +0 C(ATOM 655 CB THR A 44) -12.92439203 +0 -2.10845239 +0 -3.57443315 +0 O(ATOM 656 OG1 THR A 44) -12.98014653 +0 -3.50294879 +0 -3.34136108 +0 C(ATOM 657 CG2 THR A 44) -14.00497770 +0 -1.37471786 +0 -2.80237162 +0 H(ATOM 658 H THR A 44) -14.91972846 +0 -3.05312068 +0 -4.93492668 +0 H(ATOM 659 HA THR A 44) -12.94923067 +0 -0.88337808 +0 -5.40684511 +0 H(ATOM 660 HB THR A 44) -11.90317495 +0 -1.76230835 +0 -3.27745723 +0 H(ATOM 661 HG1 THR A 44) -12.92631921 +0 -3.70764745 +0 -2.37108111 +0 H(ATOM 662 1HG2 THR A 44) -13.80406908 +0 -1.38046316 +0 -1.72288102 +0 H(ATOM 663 2HG2 THR A 44) -14.07828192 +0 -0.32338411 +0 -3.11509530 +0 H(ATOM 664 3HG2 THR A 44) -14.99634413 +0 -1.82724222 +0 -2.94620311 +0 N(ATOM 665 N ILE A 45) -10.76272375 +0 -2.36434718 +0 -5.75073032 +0 C(ATOM 666 CA ILE A 45) -9.67776602 +0 -3.13194812 +0 -6.36404252 +0 C(ATOM 667 C ILE A 45) -9.60931249 +0 -4.52439735 +0 -5.71851723 +0 O(ATOM 668 O ILE A 45) -9.58830878 +0 -5.54516788 +0 -6.38985070 +0 C(ATOM 669 CB ILE A 45) -8.32873159 +0 -2.38519744 +0 -6.18413529 +0 C(ATOM 670 CG1 ILE A 45) -8.40119739 +0 -1.02561430 +0 -6.90118513 +0 C(ATOM 671 CG2 ILE A 45) -7.18426515 +0 -3.23315689 +0 -6.74077026 +0 C(ATOM 672 CD1 ILE A 45) -7.13723971 +0 -0.19638382 +0 -6.68917236 +0 H(ATOM 673 H ILE A 45) -10.49053205 +0 -1.61449100 +0 -5.11542049 +0 H(ATOM 674 HA ILE A 45) -9.90747300 +0 -3.28072044 +0 -7.45936320 +0 H(ATOM 675 HB ILE A 45) -8.15139482 +0 -2.21160020 +0 -5.09014250 +0 H(ATOM 676 1HG1 ILE A 45) -8.58041020 +0 -1.17669705 +0 -7.98287748 +0 H(ATOM 677 2HG1 ILE A 45) -9.27694060 +0 -0.44664429 +0 -6.53803898 +0 H(ATOM 678 1HG2 ILE A 45) -7.18462791 +0 -4.24838785 +0 -6.32484969 +0 H(ATOM 679 2HG2 ILE A 45) -7.23515554 +0 -3.31305103 +0 -7.83272234 +0 H(ATOM 680 3HG2 ILE A 45) -6.21616574 +0 -2.78098998 +0 -6.48566739 +0 H(ATOM 681 1HD1 ILE A 45) -7.26553679 +0 0.81925753 +0 -7.08974282 +0 H(ATOM 682 2HD1 ILE A 45) -6.89580599 +0 -0.08939575 +0 -5.62359912 +0 H(ATOM 683 3HD1 ILE A 45) -6.27277610 +0 -0.64062430 +0 -7.19077651 +0 N(ATOM 684 N GLU A 46) -9.55564042 +0 -4.58409817 +0 -4.35523252 +0 C(ATOM 685 CA GLU A 46) -9.49083933 +0 -5.88329730 +0 -3.69178069 +0 C(ATOM 686 C GLU A 46) -10.71574506 +0 -6.75693449 +0 -4.01854389 +0 O(ATOM 687 O GLU A 46) -10.58310475 +0 -7.96755728 +0 -4.14724365 +0 C(ATOM 688 CB GLU A 46) -9.37558960 +0 -5.66589090 +0 -2.17712731 +0 C(ATOM 689 CG GLU A 46) -9.20018744 +0 -6.99571306 +0 -1.46043863 +0 C(ATOM 690 CD GLU A 46) -9.20267386 +0 -6.77756260 +0 0.04709462 +0 O(ATOM 691 OE1 GLU A 46) -8.91227982 +0 -5.68040879 +0 0.52730072 +0 O(ATOM 692 OE2 GLU A 46) -9.55850933 +0 -7.76870668 +0 0.74526107 +0 H(ATOM 693 H GLU A 46) -9.66682034 +0 -3.75454320 +0 -3.75421481 +0 H(ATOM 694 HA GLU A 46) -8.58825549 +0 -6.44474761 +0 -4.07738150 +0 H(ATOM 695 1HB GLU A 46) -8.50520266 +0 -5.00083166 +0 -1.95896408 +0 H(ATOM 696 2HB GLU A 46) -10.26070738 +0 -5.12240785 +0 -1.78513183 +0 H(ATOM 697 1HG GLU A 46) -8.25301531 +0 -7.49182286 +0 -1.75364477 +0 H(ATOM 698 2HG GLU A 46) -9.99585785 +0 -7.70894631 +0 -1.74936621 +0 N(ATOM 699 N ASP A 47) -11.94227007 +0 -6.16737788 +0 -4.13525756 +0 C(ATOM 700 CA ASP A 47) -13.09294890 +0 -6.97876391 +0 -4.53031690 +0 C(ATOM 701 C ASP A 47) -12.95728600 +0 -7.44859088 +0 -5.99676681 +0 O(ATOM 702 O ASP A 47) -13.29638418 +0 -8.60361093 +0 -6.25698636 +0 C(ATOM 703 CB ASP A 47) -14.39175903 +0 -6.20601257 +0 -4.30489346 +0 C(ATOM 704 CG ASP A 47) -14.83429712 +0 -6.25123633 +0 -2.87343884 +0 O(ATOM 705 OD1 ASP A 47) -14.22983072 +0 -7.21753801 +0 -2.16801616 +0 O(ATOM 706 OD2 ASP A 47) -15.67564569 +0 -5.55026055 +0 -2.35225808 +0 H(ATOM 707 H ASP A 47) -12.07701208 +0 -5.15244006 +0 -4.11828065 +0 H(ATOM 708 HA ASP A 47) -13.08952562 +0 -7.93323060 +0 -3.91338596 +0 H(ATOM 709 1HB ASP A 47) -14.28471355 +0 -5.13400499 +0 -4.62947721 +0 H(ATOM 710 2HB ASP A 47) -15.21547723 +0 -6.60118624 +0 -4.95598580 +0 H(ATOM 711 HD1 ASP A 47) -14.54654142 +0 -7.27744592 +0 -1.21178138 +0 N(ATOM 712 N GLY A 48) -12.42185121 +0 -6.63035030 +0 -6.92928664 +0 C(ATOM 713 CA GLY A 48) -12.13192127 +0 -7.13806545 +0 -8.26513524 +0 C(ATOM 714 C GLY A 48) -11.12444504 +0 -8.28370967 +0 -8.22312407 +0 O(ATOM 715 O GLY A 48) -11.23980970 +0 -9.23725783 +0 -8.97718809 +0 H(ATOM 716 H GLY A 48) -12.07850949 +0 -5.69176197 +0 -6.70384419 +0 H(ATOM 717 1HA GLY A 48) -11.75122471 +0 -6.31141682 +0 -8.92302321 +0 H(ATOM 718 2HA GLY A 48) -13.07716803 +0 -7.49890595 +0 -8.75857316 +0 N(ATOM 719 N ALA A 49) -10.07653088 +0 -8.17184183 +0 -7.34790641 +0 C(ATOM 720 CA ALA A 49) -9.08280030 +0 -9.23591431 +0 -7.19421152 +0 C(ATOM 721 C ALA A 49) -9.75181704 +0 -10.55562538 +0 -6.75994971 +0 O(ATOM 722 O ALA A 49) -9.46575375 +0 -11.60331084 +0 -7.31530190 +0 C(ATOM 723 CB ALA A 49) -8.03823750 +0 -8.83892553 +0 -6.15320712 +0 H(ATOM 724 H ALA A 49) -10.05238878 +0 -7.41537783 +0 -6.65927585 +0 H(ATOM 725 HA ALA A 49) -8.60054915 +0 -9.42165579 +0 -8.19847108 +0 H(ATOM 726 1HB ALA A 49) -7.54428398 +0 -7.89065029 +0 -6.41156634 +0 H(ATOM 727 2HB ALA A 49) -8.48445752 +0 -8.69700270 +0 -5.15455746 +0 H(ATOM 728 3HB ALA A 49) -7.26003943 +0 -9.60673944 +0 -6.05451960 +0 N(ATOM 729 N ARG A 50) -10.64334707 +0 -10.50117650 +0 -5.72330075 +0 C(ATOM 730 CA ARG A 50) -11.38138019 +0 -11.69777513 +0 -5.32224755 +0 C(ATOM 731 C ARG A 50) -12.25809001 +0 -12.23361325 +0 -6.47061537 +0 O(ATOM 732 O ARG A 50) -12.31107898 +0 -13.43845128 +0 -6.69234938 +0 C(ATOM 733 CB ARG A 50) -12.35756821 +0 -11.39169521 +0 -4.18086912 +0 C(ATOM 734 CG ARG A 50) -11.64474347 +0 -11.24086446 +0 -2.84462942 +0 C(ATOM 735 CD ARG A 50) -12.70682484 +0 -11.28102134 +0 -1.72873016 +0 N(ATOM 736 NE ARG A 50) -12.03975895 +0 -11.57071078 +0 -0.45050066 +0 C(ATOM 737 CZ ARG A 50) -11.43416582 +0 -10.54036968 +0 0.23422345 +0 N(ATOM 738 NH1 ARG A 50) -11.43727288 +0 -9.26425272 +0 -0.23609303 +0 N(ATOM 739 NH2 ARG A 50) -10.77571335 +0 -10.80939351 +0 1.39240796 +0 H(ATOM 740 H ARG A 50) -10.95334159 +0 -9.60800574 +0 -5.33506622 +0 H(ATOM 741 HA ARG A 50) -10.64786679 +0 -12.51017388 +0 -5.03954432 +0 H(ATOM 742 1HB ARG A 50) -13.10987943 +0 -12.21376254 +0 -4.12140980 +0 H(ATOM 743 2HB ARG A 50) -12.95317459 +0 -10.48062946 +0 -4.41192262 +0 H(ATOM 744 1HG ARG A 50) -10.89850330 +0 -12.05030426 +0 -2.70047446 +0 H(ATOM 745 2HG ARG A 50) -11.05610269 +0 -10.30118430 +0 -2.82406222 +0 H(ATOM 746 1HD ARG A 50) -13.30563972 +0 -10.33904521 +0 -1.70525622 +0 H(ATOM 747 2HD ARG A 50) -13.47068155 +0 -12.07119748 +0 -1.92567955 +0 H(ATOM 748 HE ARG A 50) -12.35363380 +0 -12.39143488 +0 0.06786325 +0 H(ATOM 749 1HH1 ARG A 50) -10.74450398 +0 -8.57464246 +0 0.17896513 +0 H(ATOM 750 2HH1 ARG A 50) -11.78744915 +0 -9.03713292 +0 -1.14957181 +0 H(ATOM 751 1HH2 ARG A 50) -10.15959346 +0 -10.11600567 +0 1.80144780 +0 H(ATOM 752 2HH2 ARG A 50) -10.84020414 +0 -11.70331316 +0 1.86304751 +0 N(ATOM 753 N ARG A 51) -13.01205980 +0 -11.32411123 +0 -7.14057260 +0 C(ATOM 754 CA ARG A 51) -13.90896822 +0 -11.72842291 +0 -8.22767605 +0 C(ATOM 755 C ARG A 51) -13.11202286 +0 -12.49081301 +0 -9.29535629 +0 O(ATOM 756 O ARG A 51) -13.55475424 +0 -13.50087669 +0 -9.82129135 +0 C(ATOM 757 CB ARG A 51) -14.53301406 +0 -10.47007828 +0 -8.85018726 +0 C(ATOM 758 CG ARG A 51) -15.47924678 +0 -10.83344619 +0 -9.99170285 +0 C(ATOM 759 CD ARG A 51) -16.10600537 +0 -9.58367113 +0 -10.63657443 +0 N(ATOM 760 NE ARG A 51) -15.13738776 +0 -8.52373721 +0 -10.93298263 +0 C(ATOM 761 CZ ARG A 51) -14.17212411 +0 -8.62862686 +0 -11.87526071 +0 N(ATOM 762 NH1 ARG A 51) -14.00567806 +0 -9.75203286 +0 -12.65957811 +0 N(ATOM 763 NH2 ARG A 51) -13.35123211 +0 -7.55353675 +0 -12.08929216 +0 H(ATOM 764 H ARG A 51) -12.87430322 +0 -10.31703268 +0 -7.01712092 +0 H(ATOM 765 HA ARG A 51) -14.70587612 +0 -12.41868346 +0 -7.82000091 +0 H(ATOM 766 1HB ARG A 51) -13.73200862 +0 -9.78601636 +0 -9.20773386 +0 H(ATOM 767 2HB ARG A 51) -15.07752374 +0 -9.89641261 +0 -8.06759165 +0 H(ATOM 768 1HG ARG A 51) -14.95308570 +0 -11.44624868 +0 -10.74953102 +0 H(ATOM 769 2HG ARG A 51) -16.29790842 +0 -11.48429905 +0 -9.60989731 +0 H(ATOM 770 1HD ARG A 51) -16.67634393 +0 -9.86865172 +0 -11.55143216 +0 H(ATOM 771 2HD ARG A 51) -16.86223531 +0 -9.14050365 +0 -9.93630985 +0 H(ATOM 772 HE ARG A 51) -15.12303245 +0 -7.69285943 +0 -10.24032758 +0 H(ATOM 773 1HH1 ARG A 51) -13.45292444 +0 -9.69099340 +0 -13.51385528 +0 H(ATOM 774 2HH1 ARG A 51) -14.71883231 +0 -10.46228570 +0 -12.66694425 +0 H(ATOM 775 1HH2 ARG A 51) -12.43753188 +0 -7.67667984 +0 -12.50722207 +0 H(ATOM 776 2HH2 ARG A 51) -13.41700320 +0 -6.73066152 +0 -11.43118214 +0 N(ATOM 777 N GLU A 52) -11.88496649 +0 -11.99069673 +0 -9.62162273 +0 C(ATOM 778 CA GLU A 52) -11.09977035 +0 -12.59113766 +0 -10.69504295 +0 C(ATOM 779 C GLU A 52) -10.52241658 +0 -13.93727141 +0 -10.23416099 +0 O(ATOM 780 O GLU A 52) -10.53543292 +0 -14.88313242 +0 -11.00548490 +0 C(ATOM 781 CB GLU A 52) -9.96007385 +0 -11.65475438 +0 -11.11628591 +0 C(ATOM 782 CG GLU A 52) -10.50172738 +0 -10.50978902 +0 -11.96563789 +0 C(ATOM 783 CD GLU A 52) -10.96828827 +0 -11.03549038 +0 -13.28229166 +0 O(ATOM 784 OE1 GLU A 52) -11.01584065 +0 -12.20267575 +0 -13.61029378 +0 O(ATOM 785 OE2 GLU A 52) -11.39247927 +1 -10.05867392 +1 -14.09626556 +1 H(ATOM 786 H GLU A 52) -11.50028928 +0 -11.15431586 +0 -9.17690866 +0 H(ATOM 787 HA GLU A 52) -11.77666611 +0 -12.82097320 +0 -11.57419383 +0 H(ATOM 788 1HB GLU A 52) -9.20971826 +0 -12.24369128 +0 -11.69200324 +0 H(ATOM 789 2HB GLU A 52) -9.43833179 +0 -11.25549913 +0 -10.22058154 +0 H(ATOM 790 1HG GLU A 52) -11.33803189 +0 -9.97873891 +0 -11.44589888 +0 H(ATOM 791 2HG GLU A 52) -9.75297687 +0 -9.69855782 +0 -12.10521642 +0 H(ATOM 792 HE2 GLU A 52) -11.62998949 +1 -10.36209529 +1 -15.04382271 +1 N(ATOM 793 N LEU A 53) -9.99430235 +0 -14.00930873 +0 -8.97692803 +0 C(ATOM 794 CA LEU A 53) -9.56764982 +0 -15.30192083 +0 -8.43024542 +0 C(ATOM 795 C LEU A 53) -10.71177811 +0 -16.32472680 +0 -8.55919735 +0 O(ATOM 796 O LEU A 53) -10.49165783 +0 -17.45441148 +0 -8.99437689 +0 C(ATOM 797 CB LEU A 53) -9.15262045 +0 -15.11080657 +0 -6.96695147 +0 C(ATOM 798 CG LEU A 53) -8.62809141 +0 -16.39796070 +0 -6.30835305 +0 C(ATOM 799 CD1 LEU A 53) -7.35570723 +0 -16.90436323 +0 -6.99354320 +0 C(ATOM 800 CD2 LEU A 53) -8.35962465 +0 -16.10121431 +0 -4.82653631 +0 H(ATOM 801 H LEU A 53) -10.13567062 +0 -13.24607879 +0 -8.30768593 +0 H(ATOM 802 HA LEU A 53) -8.70453984 +0 -15.68310223 +0 -9.04751221 +0 H(ATOM 803 1HB LEU A 53) -8.38176142 +0 -14.31391618 +0 -6.90798530 +0 H(ATOM 804 2HB LEU A 53) -10.01370559 +0 -14.72869544 +0 -6.36928813 +0 H(ATOM 805 HG LEU A 53) -9.42185557 +0 -17.18554106 +0 -6.37441439 +0 H(ATOM 806 1HD1 LEU A 53) -7.54948023 +0 -17.22428480 +0 -8.02449618 +0 H(ATOM 807 2HD1 LEU A 53) -6.57658147 +0 -16.13611214 +0 -7.01941575 +0 H(ATOM 808 3HD1 LEU A 53) -6.94516511 +0 -17.77445938 +0 -6.46786336 +0 H(ATOM 809 1HD2 LEU A 53) -9.28766236 +0 -15.77755621 +0 -4.32575992 +0 H(ATOM 810 2HD2 LEU A 53) -7.99829093 +0 -16.98758851 +0 -4.29805936 +0 H(ATOM 811 3HD2 LEU A 53) -7.62168401 +0 -15.30435038 +0 -4.69972400 +0 N(ATOM 812 N GLN A 54) -11.97543065 +0 -15.93173573 +0 -8.25387476 +0 C(ATOM 813 CA GLN A 54) -13.07662554 +0 -16.90025328 +0 -8.26521316 +0 C(ATOM 814 C GLN A 54) -13.42591726 +0 -17.24541644 +0 -9.72443470 +0 O(ATOM 815 O GLN A 54) -13.67994339 +0 -18.40244929 +0 -10.05063024 +0 C(ATOM 816 CB GLN A 54) -14.29035567 +0 -16.30166800 +0 -7.53435060 +0 C(ATOM 817 CG GLN A 54) -15.41445761 +0 -17.30535100 +0 -7.30990401 +0 C(ATOM 818 CD GLN A 54) -16.25322004 +0 -17.67161660 +0 -8.50799712 +0 O(ATOM 819 OE1 GLN A 54) -16.81446598 +0 -18.76199786 +0 -8.57869363 +0 N(ATOM 820 NE2 GLN A 54) -16.46579986 +0 -16.75576087 +0 -9.50075248 +0 H(ATOM 821 H GLN A 54) -12.18149281 +0 -14.99448123 +0 -7.89861440 +0 H(ATOM 822 HA GLN A 54) -12.74643078 +0 -17.84983461 +0 -7.74090248 +0 H(ATOM 823 1HB GLN A 54) -13.94201030 +0 -15.93978314 +0 -6.53047754 +0 H(ATOM 824 2HB GLN A 54) -14.64953493 +0 -15.38071667 +0 -8.03755191 +0 H(ATOM 825 1HG GLN A 54) -15.01349177 +0 -18.23885041 +0 -6.84789909 +0 H(ATOM 826 2HG GLN A 54) -16.11526390 +0 -16.89627011 +0 -6.53526054 +0 H(ATOM 827 1HE2 GLN A 54) -16.00910859 +0 -15.86573515 +0 -9.51973827 +0 H(ATOM 828 2HE2 GLN A 54) -17.06332354 +0 -16.96473849 +0 -10.28292685 +0 N(ATOM 829 N GLU A 55) -13.47497448 +0 -16.24086315 +0 -10.64247797 +0 C(ATOM 830 CA GLU A 55) -13.81112425 +0 -16.53457036 +0 -12.03612922 +0 C(ATOM 831 C GLU A 55) -12.74263670 +0 -17.39512657 +0 -12.73962572 +0 O(ATOM 832 O GLU A 55) -13.04422120 +0 -18.16247943 +0 -13.63807613 +0 C(ATOM 833 CB GLU A 55) -13.92880044 +0 -15.23845518 +0 -12.85089454 +0 C(ATOM 834 CG GLU A 55) -15.11221579 +0 -14.37574031 +0 -12.40775066 +0 C(ATOM 835 CD GLU A 55) -15.15871185 +0 -13.16514926 +0 -13.26806515 +0 O(ATOM 836 OE1 GLU A 55) -14.49951458 +0 -12.94107835 +0 -14.24989941 +0 O(ATOM 837 OE2 GLU A 55) -16.04482409 +0 -12.22348388 +0 -12.82529565 +0 H(ATOM 838 H GLU A 55) -13.16160374 +0 -15.28899891 +0 -10.42617311 +0 H(ATOM 839 HA GLU A 55) -14.78226157 +0 -17.11383190 +0 -12.06682793 +0 H(ATOM 840 1HB GLU A 55) -14.04063174 +0 -15.49483187 +0 -13.93298763 +0 H(ATOM 841 2HB GLU A 55) -12.98567916 +0 -14.64987023 +0 -12.79538347 +0 H(ATOM 842 1HG GLU A 55) -16.07888251 +0 -14.93201199 +0 -12.50341338 +0 H(ATOM 843 2HG GLU A 55) -15.04656060 +0 -14.09613925 +0 -11.32868491 +0 H(ATOM 844 HE2 GLU A 55) -16.36972350 +0 -11.60155111 +0 -13.53744320 +0 N(ATOM 845 N GLU A 56) -11.44005528 +0 -17.26612673 +0 -12.32474117 +0 C(ATOM 846 CA GLU A 56) -10.37351673 +0 -17.89206939 +0 -13.09538698 +0 C(ATOM 847 C GLU A 56) -9.93555799 +0 -19.22159620 +0 -12.44729001 +0 O(ATOM 848 O GLU A 56) -9.32761589 +0 -20.04534426 +0 -13.12913015 +0 C(ATOM 849 CB GLU A 56) -9.14688924 +0 -16.97082014 +0 -13.17673377 +0 C(ATOM 850 CG GLU A 56) -9.43175465 +0 -15.73799357 +0 -14.03628156 +0 C(ATOM 851 CD GLU A 56) -8.14262025 +0 -15.02689157 +0 -14.31723208 +0 O(ATOM 852 OE1 GLU A 56) -7.21092117 +0 -14.95375143 +0 -13.53670578 +0 O(ATOM 853 OE2 GLU A 56) -8.07425943 +1 -14.55730440 +1 -15.55250220 +1 H(ATOM 854 H GLU A 56) -11.16051580 +0 -16.56516994 +0 -11.63060401 +0 H(ATOM 855 HA GLU A 56) -10.74209559 +0 -18.14253083 +0 -14.13810310 +0 H(ATOM 856 1HB GLU A 56) -8.83746989 +0 -16.63661128 +0 -12.15853354 +0 H(ATOM 857 2HB GLU A 56) -8.28746686 +0 -17.53859675 +0 -13.58955461 +0 H(ATOM 858 1HG GLU A 56) -10.11022881 +0 -15.02847989 +0 -13.49314177 +0 H(ATOM 859 2HG GLU A 56) -9.97600510 +0 -15.98178884 +0 -14.97181751 +0 H(ATOM 860 HE2 GLU A 56) -7.19587837 +1 -14.03771638 +1 -15.79675871 +1 N(ATOM 861 N SER A 57) -10.28447106 +0 -19.46831429 +0 -11.15336931 +0 C(ATOM 862 CA SER A 57) -9.80505330 +0 -20.64369145 +0 -10.42627339 +0 C(ATOM 863 C SER A 57) -10.90504613 +0 -21.27059461 +0 -9.55882719 +0 O(ATOM 864 O SER A 57) -10.70819628 +0 -22.35507956 +0 -9.01876371 +0 C(ATOM 865 CB SER A 57) -8.62251600 +0 -20.26981390 +0 -9.49467352 +0 O(ATOM 866 OG SER A 57) -9.09062071 +0 -19.63827325 +0 -8.33622302 +0 H(ATOM 867 H SER A 57) -10.67418733 +0 -18.70210502 +0 -10.58806028 +0 H(ATOM 868 HA SER A 57) -9.45733803 +0 -21.43987521 +0 -11.15796273 +0 H(ATOM 869 1HB SER A 57) -8.11734270 +0 -21.17924596 +0 -9.11512246 +0 H(ATOM 870 2HB SER A 57) -7.88962784 +0 -19.62777659 +0 -10.01758503 +0 H(ATOM 871 HG SER A 57) -9.46188382 +0 -18.73958140 +0 -8.52815068 +0 N(ATOM 872 N GLY A 58) -12.09704075 +0 -20.62200234 +0 -9.41169417 +0 C(ATOM 873 CA GLY A 58) -13.13009168 +0 -21.14828004 +0 -8.52591563 +0 C(ATOM 874 C GLY A 58) -12.82529492 +0 -20.95929039 +0 -7.03988722 +0 O(ATOM 875 O GLY A 58) -13.67540982 +0 -21.25779789 +0 -6.20969843 +0 H(ATOM 876 H GLY A 58) -12.25796881 +0 -19.67420402 +0 -9.74289796 +0 H(ATOM 877 1HA GLY A 58) -13.29416501 +0 -22.24592210 +0 -8.71061758 +0 H(ATOM 878 2HA GLY A 58) -14.10659299 +0 -20.65152380 +0 -8.76688149 +0 N(ATOM 879 N LEU A 59) -11.60166394 +0 -20.47937591 +0 -6.68475018 +0 C(ATOM 880 CA LEU A 59) -11.22292093 +0 -20.34526294 +0 -5.28343320 +0 C(ATOM 881 C LEU A 59) -11.86127382 +0 -19.06995952 +0 -4.70967184 +0 O(ATOM 882 O LEU A 59) -12.10066220 +0 -18.09170747 +0 -5.38547424 +0 C(ATOM 883 CB LEU A 59) -9.69980326 +0 -20.15588222 +0 -5.15855378 +0 C(ATOM 884 CG LEU A 59) -8.90759904 +0 -21.38537522 +0 -5.63464490 +0 C(ATOM 885 CD1 LEU A 59) -7.40821336 +0 -21.06616499 +0 -5.55879981 +0 C(ATOM 886 CD2 LEU A 59) -9.25212265 +0 -22.60862209 +0 -4.78363085 +0 H(ATOM 887 H LEU A 59) -10.93777006 +0 -20.10674482 +0 -7.35581137 +0 H(ATOM 888 HA LEU A 59) -11.56644814 +0 -21.25282595 +0 -4.71292159 +0 H(ATOM 889 1HB LEU A 59) -9.38005717 +0 -19.26654167 +0 -5.74363436 +0 H(ATOM 890 2HB LEU A 59) -9.44299042 +0 -19.92594609 +0 -4.10494986 +0 H(ATOM 891 HG LEU A 59) -9.16892222 +0 -21.59368546 +0 -6.70381847 +0 H(ATOM 892 1HD1 LEU A 59) -7.14296936 +0 -20.27243127 +0 -6.26826663 +0 H(ATOM 893 2HD1 LEU A 59) -7.12180400 +0 -20.72965842 +0 -4.55713908 +0 H(ATOM 894 3HD1 LEU A 59) -6.80048208 +0 -21.94505957 +0 -5.79587141 +0 H(ATOM 895 1HD2 LEU A 59) -10.23441123 +0 -23.01410093 +0 -5.05755254 +0 H(ATOM 896 2HD2 LEU A 59) -8.51710696 +0 -23.40867009 +0 -4.91288841 +0 H(ATOM 897 3HD2 LEU A 59) -9.27972115 +0 -22.37001408 +0 -3.71399784 +0 N(ATOM 898 N THR A 60) -12.10107109 +0 -19.12427840 +0 -3.35675876 +0 C(ATOM 899 CA THR A 60) -12.34027408 +0 -17.89373642 +0 -2.62460475 +0 C(ATOM 900 C THR A 60) -11.24995177 +0 -17.78646460 +0 -1.55869874 +0 O(ATOM 901 O THR A 60) -10.43044440 +0 -18.66219288 +0 -1.31875713 +0 C(ATOM 902 CB THR A 60) -13.75745326 +0 -17.85334440 +0 -1.98322072 +0 O(ATOM 903 OG1 THR A 60) -13.94546593 +0 -19.00757419 +0 -1.19814841 +0 C(ATOM 904 CG2 THR A 60) -14.83082185 +0 -17.85835250 +0 -3.06361070 +0 H(ATOM 905 H THR A 60) -11.89920804 +0 -19.95026701 +0 -2.79305190 +0 H(ATOM 906 HA THR A 60) -12.25240165 +0 -17.00068842 +0 -3.33051713 +0 H(ATOM 907 HB THR A 60) -13.85285306 +0 -16.95737033 +0 -1.32657143 +0 H(ATOM 908 HG1 THR A 60) -13.57935216 +0 -18.88594963 +0 -0.28166009 +0 H(ATOM 909 1HG2 THR A 60) -15.83575902 +0 -17.87391345 +0 -2.62547028 +0 H(ATOM 910 2HG2 THR A 60) -14.75576946 +0 -16.95952866 +0 -3.69197483 +0 H(ATOM 911 3HG2 THR A 60) -14.73749992 +0 -18.72735571 +0 -3.72916071 +0 N(ATOM 912 N VAL A 61) -11.18993375 +0 -16.60678545 +0 -0.87754458 +0 C(ATOM 913 CA VAL A 61) -10.08528261 +0 -16.37846021 +0 0.04546835 +0 C(ATOM 914 C VAL A 61) -10.63817710 +0 -15.61456090 +0 1.24535436 +0 O(ATOM 915 O VAL A 61) -11.51377945 +0 -14.77073105 +0 1.16290354 +0 C(ATOM 916 CB VAL A 61) -8.96204243 +0 -15.56041495 +0 -0.65199123 +0 C(ATOM 917 CG1 VAL A 61) -9.49312793 +0 -14.24098523 +0 -1.21683216 +0 C(ATOM 918 CG2 VAL A 61) -7.82765745 +0 -15.30191096 +0 0.32745749 +0 H(ATOM 919 H VAL A 61) -11.80044302 +0 -15.81704167 +0 -1.07619673 +0 H(ATOM 920 HA VAL A 61) -9.65509135 +0 -17.37261372 +0 0.38099085 +0 H(ATOM 921 HB VAL A 61) -8.58441150 +0 -16.19066295 +0 -1.49835676 +0 H(ATOM 922 1HG1 VAL A 61) -10.16066587 +0 -14.41237254 +0 -2.07294254 +0 H(ATOM 923 2HG1 VAL A 61) -10.04234200 +0 -13.66914598 +0 -0.46019175 +0 H(ATOM 924 3HG1 VAL A 61) -8.67064293 +0 -13.60764484 +0 -1.56801570 +0 H(ATOM 925 1HG2 VAL A 61) -7.49766001 +0 -16.20590311 +0 0.86144942 +0 H(ATOM 926 2HG2 VAL A 61) -6.94043384 +0 -14.90441862 +0 -0.17864737 +0 H(ATOM 927 3HG2 VAL A 61) -8.08978574 +0 -14.55551526 +0 1.08381158 +0 N(ATOM 928 N ASP A 62) -10.08882580 +0 -15.96291899 +0 2.46036426 +0 C(ATOM 929 CA ASP A 62) -10.44792582 +0 -15.18271267 +0 3.64098172 +0 C(ATOM 930 C ASP A 62) -9.89596904 +0 -13.74805904 +0 3.49619901 +0 O(ATOM 931 O ASP A 62) -10.64481374 +0 -12.78396172 +0 3.50516982 +0 C(ATOM 932 CB ASP A 62) -9.89193159 +0 -15.86433812 +0 4.89632306 +0 C(ATOM 933 CG ASP A 62) -10.26029430 +0 -15.09524714 +0 6.12454476 +0 O(ATOM 934 OD1 ASP A 62) -10.89521439 +0 -14.06986268 +0 6.18142750 +0 O(ATOM 935 OD2 ASP A 62) -9.77344692 +0 -15.69047048 +0 7.22484990 +0 H(ATOM 936 H ASP A 62) -9.25458235 +0 -16.55440482 +0 2.51708047 +0 H(ATOM 937 HA ASP A 62) -11.57696638 +0 -15.09721988 +0 3.70453409 +0 H(ATOM 938 1HB ASP A 62) -8.78230524 +0 -15.99146772 +0 4.84299673 +0 H(ATOM 939 2HB ASP A 62) -10.28678379 +0 -16.91004389 +0 4.97267193 +0 H(ATOM 940 HD2 ASP A 62) -9.98939604 +0 -15.21213322 +0 8.08310610 +0 N(ATOM 941 N ALA A 63) -8.54480448 +0 -13.60963431 +0 3.35693902 +0 C(ATOM 942 CA ALA A 63) -7.92614544 +0 -12.28269733 +0 3.41667293 +0 C(ATOM 943 C ALA A 63) -6.91758963 +0 -12.19053120 +0 2.25764868 +0 O(ATOM 944 O ALA A 63) -6.14241482 +0 -13.08646940 +0 1.98191257 +0 C(ATOM 945 CB ALA A 63) -7.16728590 +0 -12.11928201 +0 4.73278385 +0 H(ATOM 946 H ALA A 63) -7.89678868 +0 -14.39828103 +0 3.33155785 +0 H(ATOM 947 HA ALA A 63) -8.71953343 +0 -11.48339645 +0 3.33521075 +0 H(ATOM 948 1HB ALA A 63) -7.84628188 +0 -12.22072437 +0 5.59346967 +0 H(ATOM 949 2HB ALA A 63) -6.38214353 +0 -12.87706389 +0 4.86004305 +0 H(ATOM 950 3HB ALA A 63) -6.69775244 +0 -11.13091588 +0 4.81692297 +0 N(ATOM 951 N LEU A 64) -6.95874067 +0 -11.02676046 +0 1.53143049 +0 C(ATOM 952 CA LEU A 64) -5.92680567 +0 -10.73709401 +0 0.54334837 +0 C(ATOM 953 C LEU A 64) -5.04342149 +0 -9.61305203 +0 1.12127714 +0 O(ATOM 954 O LEU A 64) -5.55056944 +0 -8.69590534 +0 1.75201664 +0 C(ATOM 955 CB LEU A 64) -6.52229332 +0 -10.15864017 +0 -0.75403533 +0 C(ATOM 956 CG LEU A 64) -7.17616697 +0 -11.22027947 +0 -1.65100080 +0 C(ATOM 957 CD1 LEU A 64) -7.78003399 +0 -10.51493467 +0 -2.87235979 +0 C(ATOM 958 CD2 LEU A 64) -6.16416495 +0 -12.27622345 +0 -2.10582369 +0 H(ATOM 959 H LEU A 64) -7.54740742 +0 -10.23441116 +0 1.81934971 +0 H(ATOM 960 HA LEU A 64) -5.32217519 +0 -11.66294103 +0 0.33501856 +0 H(ATOM 961 1HB LEU A 64) -5.72651770 +0 -9.63492594 +0 -1.32213720 +0 H(ATOM 962 2HB LEU A 64) -7.27124867 +0 -9.37788121 +0 -0.49930699 +0 H(ATOM 963 HG LEU A 64) -7.99128452 +0 -11.72219609 +0 -1.07369376 +0 H(ATOM 964 1HD1 LEU A 64) -8.54101340 +0 -9.78194847 +0 -2.58212467 +0 H(ATOM 965 2HD1 LEU A 64) -7.01275077 +0 -9.98303987 +0 -3.44638149 +0 H(ATOM 966 3HD1 LEU A 64) -8.26127616 +0 -11.22680783 +0 -3.55045316 +0 H(ATOM 967 1HD2 LEU A 64) -5.83851699 +0 -12.90264648 +0 -1.26434693 +0 H(ATOM 968 2HD2 LEU A 64) -6.59861736 +0 -12.94736812 +0 -2.85454516 +0 H(ATOM 969 3HD2 LEU A 64) -5.27062182 +0 -11.82237167 +0 -2.54654357 +0 N(ATOM 970 N HIS A 65) -3.70872539 +0 -9.67839667 +0 0.85290282 +0 C(ATOM 971 CA HIS A 65) -2.78540985 +0 -8.69713719 +0 1.41911023 +0 C(ATOM 972 C HIS A 65) -2.14843965 +0 -7.95186116 +0 0.23897938 +0 O(ATOM 973 O HIS A 65) -1.73089845 +0 -8.53816954 +0 -0.75036738 +0 C(ATOM 974 CB HIS A 65) -1.64796207 +0 -9.37625024 +0 2.21510051 +0 C(ATOM 975 CG HIS A 65) -2.23510882 +0 -10.05858125 +0 3.37868355 +0 N(ATOM 976 ND1 HIS A 65) -2.68584429 +0 -11.38143747 +0 3.32648075 +0 C(ATOM 977 CD2 HIS A 65) -2.57623252 +0 -9.57828922 +0 4.64516170 +0 N(ATOM 978 NE2 HIS A 65) -3.25257060 +0 -10.56714673 +0 5.34092170 +0 C(ATOM 979 CE1 HIS A 65) -3.33754186 +0 -11.63466208 +0 4.52589676 +0 H(ATOM 980 H HIS A 65) -3.27241651 +0 -10.47893219 +0 0.39261967 +0 H(ATOM 981 HA HIS A 65) -3.34696371 +0 -7.99216700 +0 2.10028724 +0 H(ATOM 982 1HB HIS A 65) -0.91025487 +0 -8.60397672 +0 2.55160736 +0 H(ATOM 983 2HB HIS A 65) -1.06500159 +0 -10.07215172 +0 1.57107102 +0 H(ATOM 984 HD1 HIS A 65) -2.59877535 +0 -12.00088526 +0 2.54275937 +0 H(ATOM 985 HD2 HIS A 65) -2.38686548 +0 -8.61669003 +0 5.08731404 +0 H(ATOM 986 HE1 HIS A 65) -3.87607700 +0 -12.54022381 +0 4.74149951 +0 N(ATOM 987 N LYS A 66) -2.08888026 +0 -6.59682579 +0 0.34072468 +0 C(ATOM 988 CA LYS A 66) -1.41716919 +0 -5.82274290 +0 -0.69927679 +0 C(ATOM 989 C LYS A 66) 0.10002253 +0 -6.05005309 +0 -0.55731467 +0 O(ATOM 990 O LYS A 66) 0.71988712 +0 -5.72259494 +0 0.44599807 +0 C(ATOM 991 CB LYS A 66) -1.64632423 +0 -4.31917361 +0 -0.49844437 +0 C(ATOM 992 CG LYS A 66) -3.11540008 +0 -3.93075549 +0 -0.67634397 +0 C(ATOM 993 CD LYS A 66) -3.29100287 +0 -2.43883792 +0 -0.36516580 +0 C(ATOM 994 CE LYS A 66) -4.15914624 +0 -2.21428218 +0 0.88355105 +0 N(ATOM 995 NZ LYS A 66) -3.92006210 +0 -0.83926400 +0 1.39928244 +0 H(ATOM 996 H LYS A 66) -2.34145241 +0 -6.09436665 +0 1.19910826 +0 H(ATOM 997 HA LYS A 66) -1.78812938 +0 -6.15226687 +0 -1.71046698 +0 H(ATOM 998 1HB LYS A 66) -1.29983558 +0 -4.01568634 +0 0.51491149 +0 H(ATOM 999 2HB LYS A 66) -1.01751974 +0 -3.75891988 +0 -1.22216883 +0 H(ATOM 1000 1HG LYS A 66) -3.44964640 +0 -4.15996891 +0 -1.70581041 +0 H(ATOM 1001 2HG LYS A 66) -3.76021890 +0 -4.55016091 +0 -0.01701333 +0 H(ATOM 1002 1HD LYS A 66) -3.74281287 +0 -1.91090316 +0 -1.22471004 +0 H(ATOM 1003 2HD LYS A 66) -2.30173909 +0 -1.95606016 +0 -0.21597912 +0 H(ATOM 1004 1HE LYS A 66) -5.23905910 +0 -2.29984553 +0 0.62593811 +0 H(ATOM 1005 2HE LYS A 66) -3.95768347 +0 -2.99485346 +0 1.65089830 +0 H(ATOM 1006 1HZ LYS A 66) -4.20259244 +0 -0.76529551 +0 2.37050900 +0 H(ATOM 1007 2HZ LYS A 66) -2.93256256 +0 -0.60513066 +0 1.34827660 +0 N(ATOM 1008 N VAL A 67) 0.74451463 +0 -6.57325704 +0 -1.63964179 +0 C(ATOM 1009 CA VAL A 67) 2.18615376 +0 -6.79898308 +0 -1.58890728 +0 C(ATOM 1010 C VAL A 67) 2.92694606 +0 -5.93725778 +0 -2.61546934 +0 O(ATOM 1011 O VAL A 67) 4.10588124 +0 -5.66184391 +0 -2.45160368 +0 C(ATOM 1012 CB VAL A 67) 2.57217095 +0 -8.28374796 +0 -1.80547903 +0 C(ATOM 1013 CG1 VAL A 67) 2.08974347 +0 -9.09685757 +0 -0.60426884 +0 C(ATOM 1014 CG2 VAL A 67) 2.00941043 +0 -8.83735612 +0 -3.11340735 +0 H(ATOM 1015 H VAL A 67) 0.23295633 +0 -6.95899308 +0 -2.43305615 +0 H(ATOM 1016 HA VAL A 67) 2.57573142 +0 -6.47875630 +0 -0.57182233 +0 H(ATOM 1017 HB VAL A 67) 3.69676365 +0 -8.33634897 +0 -1.83844163 +0 H(ATOM 1018 1HG1 VAL A 67) 2.38040983 +0 -8.63291788 +0 0.34686399 +0 H(ATOM 1019 2HG1 VAL A 67) 0.99843443 +0 -9.20162881 +0 -0.59173155 +0 H(ATOM 1020 3HG1 VAL A 67) 2.53528900 +0 -10.09937226 +0 -0.60725786 +0 H(ATOM 1021 1HG2 VAL A 67) 2.35042306 +0 -8.26347781 +0 -3.98109391 +0 H(ATOM 1022 2HG2 VAL A 67) 2.32955245 +0 -9.87958977 +0 -3.25851864 +0 H(ATOM 1023 3HG2 VAL A 67) 0.91313417 +0 -8.85532837 +0 -3.12283503 +0 N(ATOM 1024 N GLY A 68) 2.24902863 +0 -5.43970340 +0 -3.69951219 +0 C(ATOM 1025 CA GLY A 68) 3.04357886 +0 -4.68924978 +0 -4.66390554 +0 C(ATOM 1026 C GLY A 68) 2.17254878 +0 -3.89236803 +0 -5.60492473 +0 O(ATOM 1027 O GLY A 68) 0.97058916 +0 -4.04667322 +0 -5.78282180 +0 H(ATOM 1028 H GLY A 68) 1.32286551 +0 -5.74131867 +0 -3.97980311 +0 H(ATOM 1029 1HA GLY A 68) 3.71291338 +0 -5.37397442 +0 -5.25167423 +0 H(ATOM 1030 2HA GLY A 68) 3.75513258 +0 -4.00579847 +0 -4.11123777 +0 N(ATOM 1031 N GLN A 69) 2.84629677 +0 -2.93114932 +0 -6.29767710 +0 C(ATOM 1032 CA GLN A 69) 2.19609076 +0 -2.24080148 +0 -7.41236267 +0 C(ATOM 1033 C GLN A 69) 3.21558480 +0 -2.29585586 +0 -8.56210750 +0 O(ATOM 1034 O GLN A 69) 4.40312877 +0 -2.08707094 +0 -8.34846240 +0 C(ATOM 1035 CB GLN A 69) 1.89681265 +0 -0.78361798 +0 -7.03382958 +0 C(ATOM 1036 CG GLN A 69) 1.31699461 +0 -0.01874992 +0 -8.21765715 +0 C(ATOM 1037 CD GLN A 69) 1.05436895 +0 1.41519504 +0 -7.82241541 +0 O(ATOM 1038 OE1 GLN A 69) 1.76558801 +0 2.03789074 +0 -7.04368445 +0 N(ATOM 1039 NE2 GLN A 69) -0.03389535 +0 2.01075901 +0 -8.39578479 +0 H(ATOM 1040 H GLN A 69) 3.84765295 +0 -2.75688655 +0 -6.17716070 +0 H(ATOM 1041 HA GLN A 69) 1.23627487 +0 -2.76639022 +0 -7.69537819 +0 H(ATOM 1042 1HB GLN A 69) 2.81482795 +0 -0.27497763 +0 -6.66697318 +0 H(ATOM 1043 2HB GLN A 69) 1.18901973 +0 -0.76830040 +0 -6.17733721 +0 H(ATOM 1044 1HG GLN A 69) 2.03166815 +0 -0.00665898 +0 -9.07261269 +0 H(ATOM 1045 2HG GLN A 69) 0.40038532 +0 -0.51385439 +0 -8.61064210 +0 H(ATOM 1046 1HE2 GLN A 69) -0.60724885 +0 1.50085480 +0 -9.07683938 +0 H(ATOM 1047 2HE2 GLN A 69) -0.21704274 +0 2.98859131 +0 -8.27415123 +0 N(ATOM 1048 N ILE A 70) 2.73662085 +0 -2.65486627 +0 -9.78081506 +0 C(ATOM 1049 CA ILE A 70) 3.61354266 +0 -2.63749556 +0 -10.95342936 +0 C(ATOM 1050 C ILE A 70) 2.84540155 +0 -1.80108434 +0 -11.99245379 +0 O(ATOM 1051 O ILE A 70) 1.66725575 +0 -2.04011255 +0 -12.19371437 +0 C(ATOM 1052 CB ILE A 70) 3.85045013 +0 -4.05516779 +0 -11.53455464 +0 C(ATOM 1053 CG1 ILE A 70) 4.35166752 +0 -4.99661020 +0 -10.42668758 +0 C(ATOM 1054 CG2 ILE A 70) 4.87729017 +0 -3.94433831 +0 -12.66295155 +0 C(ATOM 1055 CD1 ILE A 70) 4.29744305 +0 -6.45835201 +0 -10.85710947 +0 H(ATOM 1056 H ILE A 70) 1.73064371 +0 -2.76262659 +0 -9.96977894 +0 H(ATOM 1057 HA ILE A 70) 4.60254973 +0 -2.17022344 +0 -10.68823844 +0 H(ATOM 1058 HB ILE A 70) 2.88670293 +0 -4.44825093 +0 -11.94184842 +0 H(ATOM 1059 1HG1 ILE A 70) 3.73355929 +0 -4.86744850 +0 -9.51554197 +0 H(ATOM 1060 2HG1 ILE A 70) 5.38240670 +0 -4.71897417 +0 -10.13720634 +0 H(ATOM 1061 1HG2 ILE A 70) 4.50755430 +0 -3.33279849 +0 -13.49670654 +0 H(ATOM 1062 2HG2 ILE A 70) 5.82004343 +0 -3.50981166 +0 -12.31697121 +0 H(ATOM 1063 3HG2 ILE A 70) 5.10497474 +0 -4.93549860 +0 -13.08231522 +0 H(ATOM 1064 1HD1 ILE A 70) 4.71576298 +0 -7.11622342 +0 -10.08445250 +0 H(ATOM 1065 2HD1 ILE A 70) 3.27246784 +0 -6.79018801 +0 -11.05250145 +0 H(ATOM 1066 3HD1 ILE A 70) 4.88026840 +0 -6.63725803 +0 -11.76964911 +0 N(ATOM 1067 N VAL A 71) 3.53565777 +0 -0.79227132 +0 -12.58803384 +0 C(ATOM 1068 CA VAL A 71) 2.92692955 +0 0.04030067 +0 -13.61889528 +0 C(ATOM 1069 C VAL A 71) 3.62701647 +0 -0.36002190 +0 -14.92530439 +0 O(ATOM 1070 O VAL A 71) 4.84402501 +0 -0.43843748 +0 -15.00723587 +0 C(ATOM 1071 CB VAL A 71) 3.17269416 +0 1.54632147 +0 -13.34523718 +0 C(ATOM 1072 CG1 VAL A 71) 2.79050688 +0 2.36919960 +0 -14.57792698 +0 C(ATOM 1073 CG2 VAL A 71) 2.35672384 +0 1.96471306 +0 -12.12121103 +0 H(ATOM 1074 H VAL A 71) 4.50671285 +0 -0.58869545 +0 -12.34827054 +0 H(ATOM 1075 HA VAL A 71) 1.81641141 +0 -0.16196180 +0 -13.66870505 +0 H(ATOM 1076 HB VAL A 71) 4.25922526 +0 1.70289230 +0 -13.12912366 +0 H(ATOM 1077 1HG1 VAL A 71) 3.42988987 +0 2.14430771 +0 -15.44074885 +0 H(ATOM 1078 2HG1 VAL A 71) 1.75330456 +0 2.19255213 +0 -14.88401547 +0 H(ATOM 1079 3HG1 VAL A 71) 2.88988720 +0 3.44474994 +0 -14.37762462 +0 H(ATOM 1080 1HG2 VAL A 71) 2.70996365 +0 1.45239429 +0 -11.21603660 +0 H(ATOM 1081 2HG2 VAL A 71) 2.43753842 +0 3.04173917 +0 -11.93261806 +0 H(ATOM 1082 3HG2 VAL A 71) 1.29171109 +0 1.73127469 +0 -12.23191971 +0 N(ATOM 1083 N PHE A 72) 2.81003626 +0 -0.60400074 +0 -15.99094686 +0 C(ATOM 1084 CA PHE A 72) 3.36670319 +0 -1.05638045 +0 -17.25600637 +0 C(ATOM 1085 C PHE A 72) 3.04580234 +0 0.02015323 +0 -18.30536007 +0 O(ATOM 1086 O PHE A 72) 1.92142097 +0 0.46851272 +0 -18.46219819 +0 C(ATOM 1087 CB PHE A 72) 2.71403728 +1 -2.36741682 +1 -17.74135538 +1 C(ATOM 1088 CG PHE A 72) 3.13191940 +1 -3.51265450 +1 -16.87307362 +1 C(ATOM 1089 CD1 PHE A 72) 4.37167294 +1 -4.12094827 +1 -17.08328190 +1 C(ATOM 1090 CD2 PHE A 72) 2.29114532 +1 -3.97724619 +1 -15.86026676 +1 C(ATOM 1091 CE1 PHE A 72) 4.75441484 +1 -5.20500881 +1 -16.29761802 +1 C(ATOM 1092 CE2 PHE A 72) 2.68121615 +1 -5.05962901 +1 -15.07415526 +1 C(ATOM 1093 CZ PHE A 72) 3.90750930 +1 -5.68178737 +1 -15.29843540 +1 H(ATOM 1094 H PHE A 72) 1.79422069 +0 -0.63771558 +0 -15.88872862 +0 H(ATOM 1095 HA PHE A 72) 4.48528745 +0 -1.20809517 +0 -17.15195175 +0 H(ATOM 1096 1HB PHE A 72) 3.00129652 +1 -2.55964191 +1 -18.80043873 +1 H(ATOM 1097 2HB PHE A 72) 1.60834129 +1 -2.26218712 +1 -17.76975523 +1 H(ATOM 1098 HD1 PHE A 72) 5.03180450 +1 -3.74261124 +1 -17.86376004 +1 H(ATOM 1099 HD2 PHE A 72) 1.32984090 +1 -3.49965864 +1 -15.68223968 +1 H(ATOM 1100 HE1 PHE A 72) 5.71136649 +1 -5.69729609 +1 -16.46235299 +1 H(ATOM 1101 HE2 PHE A 72) 2.02346374 +1 -5.42623635 +1 -14.28857013 +1 H(ATOM 1102 HZ PHE A 72) 4.20285999 +1 -6.55118131 +1 -14.70547402 +1 N(ATOM 1103 N GLU A 73) 4.10414865 +0 0.43289377 +0 -19.07440371 +0 C(ATOM 1104 CA GLU A 73) 3.84760249 +0 1.15113901 +0 -20.31806271 +0 C(ATOM 1105 C GLU A 73) 4.06034770 +0 0.13759579 +0 -21.45466730 +0 O(ATOM 1106 O GLU A 73) 5.09448982 +0 -0.50921523 +0 -21.50428566 +0 C(ATOM 1107 CB GLU A 73) 4.86850283 +0 2.28582080 +0 -20.54153290 +0 C(ATOM 1108 CG GLU A 73) 4.62771779 +0 2.93645887 +0 -21.90216327 +0 C(ATOM 1109 CD GLU A 73) 5.73807623 +0 3.85767265 +0 -22.29813257 +0 O(ATOM 1110 OE1 GLU A 73) 6.55504783 +0 4.39706648 +0 -21.58872973 +0 O(ATOM 1111 OE2 GLU A 73) 5.72436941 +0 3.99565882 +0 -23.62882371 +0 H(ATOM 1112 H GLU A 73) 5.02129053 +0 -0.02345765 +0 -18.99076023 +0 H(ATOM 1113 HA GLU A 73) 2.79512608 +0 1.56309916 +0 -20.32579593 +0 H(ATOM 1114 1HB GLU A 73) 4.76917559 +0 3.03681387 +0 -19.73141764 +0 H(ATOM 1115 2HB GLU A 73) 5.90380453 +0 1.89030068 +0 -20.47523317 +0 H(ATOM 1116 1HG GLU A 73) 3.66380274 +0 3.50634185 +0 -21.90987377 +0 H(ATOM 1117 2HG GLU A 73) 4.48838992 +0 2.18111741 +0 -22.71297187 +0 H(ATOM 1118 HE2 GLU A 73) 6.30820158 +0 4.67923028 +0 -24.07898178 +0 N(ATOM 1119 N PHE A 74) 3.07934984 +0 0.02569398 +0 -22.38939167 +0 C(ATOM 1120 CA PHE A 74) 3.35549136 +0 -0.72840457 +0 -23.61154718 +0 C(ATOM 1121 C PHE A 74) 3.50781801 +0 0.33254673 +0 -24.71559415 +0 O(ATOM 1122 O PHE A 74) 2.62903746 +0 1.15234846 +0 -24.92519768 +0 C(ATOM 1123 CB PHE A 74) 2.19088557 +0 -1.66975588 +0 -23.95478031 +0 C(ATOM 1124 CG PHE A 74) 2.33273546 +0 -2.92780202 +0 -23.15467599 +0 C(ATOM 1125 CD1 PHE A 74) 3.05081565 +0 -4.00095675 +0 -23.68337333 +0 C(ATOM 1126 CD2 PHE A 74) 1.78980650 +0 -3.01524985 +0 -21.87098894 +0 C(ATOM 1127 CE1 PHE A 74) 3.20548153 +0 -5.16763207 +0 -22.93889889 +0 C(ATOM 1128 CE2 PHE A 74) 1.98137173 +1 -4.17127052 +1 -21.11708952 +1 C(ATOM 1129 CZ PHE A 74) 2.67983317 +1 -5.25222048 +1 -21.65193549 +1 H(ATOM 1130 H PHE A 74) 2.24599065 +0 0.63783387 +0 -22.40077758 +0 H(ATOM 1131 HA PHE A 74) 4.30746387 +0 -1.33033461 +0 -23.49839230 +0 H(ATOM 1132 1HB PHE A 74) 2.19416688 +0 -1.88775471 +0 -25.04376761 +0 H(ATOM 1133 2HB PHE A 74) 1.21553767 +0 -1.17048339 +0 -23.76093730 +0 H(ATOM 1134 HD1 PHE A 74) 3.49816956 +0 -3.92864861 +0 -24.67323170 +0 H(ATOM 1135 HD2 PHE A 74) 1.23782148 +0 -2.17374921 +0 -21.45760901 +0 H(ATOM 1136 HE1 PHE A 74) 3.76966602 +0 -5.99831644 +0 -23.35934645 +0 H(ATOM 1137 HE2 PHE A 74) 1.58561019 +1 -4.24056203 +1 -20.10400293 +1 H(ATOM 1138 HZ PHE A 74) 2.82346649 +1 -6.15751827 +1 -21.05211838 +1 N(ATOM 1139 N VAL A 75) 4.69486035 +0 0.34867559 +0 -25.38578917 +0 C(ATOM 1140 CA VAL A 75) 4.98702545 +0 1.41577634 +0 -26.34210198 +0 C(ATOM 1141 C VAL A 75) 3.82251537 +0 1.49589920 +0 -27.34175305 +0 O(ATOM 1142 O VAL A 75) 3.35943054 +0 0.50093982 +0 -27.88200537 +0 C(ATOM 1143 CB VAL A 75) 6.29133483 +0 1.11180943 +0 -27.12556116 +0 C(ATOM 1144 CG1 VAL A 75) 6.45146062 +0 2.09879556 +0 -28.28134669 +0 C(ATOM 1145 CG2 VAL A 75) 7.49124591 +0 1.21852387 +0 -26.18261182 +0 H(ATOM 1146 H VAL A 75) 5.41533478 +0 -0.35695396 +0 -25.23015191 +0 H(ATOM 1147 HA VAL A 75) 5.09771025 +0 2.38711757 +0 -25.77927519 +0 H(ATOM 1148 HB VAL A 75) 6.22699075 +0 0.07375776 +0 -27.54012750 +0 H(ATOM 1149 1HG1 VAL A 75) 5.67695272 +0 1.97681732 +0 -29.04873680 +0 H(ATOM 1150 2HG1 VAL A 75) 6.42177210 +0 3.14184896 +0 -27.94210126 +0 H(ATOM 1151 3HG1 VAL A 75) 7.41582805 +0 1.96281475 +0 -28.78868338 +0 H(ATOM 1152 1HG2 VAL A 75) 7.43454477 +0 0.48816116 +0 -25.36364232 +0 H(ATOM 1153 2HG2 VAL A 75) 8.42816888 +0 1.04359992 +0 -26.72409515 +0 H(ATOM 1154 3HG2 VAL A 75) 7.55486993 +0 2.22043760 +0 -25.74115745 +0 N(ATOM 1155 N GLY A 76) 3.35946688 +0 2.75610762 +0 -27.60698087 +0 C(ATOM 1156 CA GLY A 76) 2.28346143 +0 2.98950672 +0 -28.55507505 +0 C(ATOM 1157 C GLY A 76) 0.88357146 +0 2.88859876 +0 -27.95034821 +0 O(ATOM 1158 O GLY A 76) -0.07626610 +0 3.30475786 +0 -28.60555933 +0 H(ATOM 1159 H GLY A 76) 3.71684040 +0 3.56987078 +0 -27.10841257 +0 H(ATOM 1160 1HA GLY A 76) 2.34157287 +0 2.26719370 +0 -29.41387987 +0 H(ATOM 1161 2HA GLY A 76) 2.40465914 +0 4.01211993 +0 -29.00650375 +0 N(ATOM 1162 N GLU A 77) 0.72609672 +0 2.30114803 +0 -26.73852168 +0 C(ATOM 1163 CA GLU A 77) -0.58976541 +0 2.12784736 +0 -26.12692603 +0 C(ATOM 1164 C GLU A 77) -0.79036184 +0 3.27041230 +0 -25.11649683 +0 O(ATOM 1165 O GLU A 77) 0.00632869 +0 3.47712521 +0 -24.20753317 +0 C(ATOM 1166 CB GLU A 77) -0.65621679 +0 0.81099019 +0 -25.33159444 +0 C(ATOM 1167 CG GLU A 77) -0.55523299 +0 -0.38864754 +0 -26.26852623 +0 C(ATOM 1168 CD GLU A 77) -0.93210503 +0 -1.68200524 +0 -25.63359779 +0 O(ATOM 1169 OE1 GLU A 77) -1.14598481 +0 -1.60726714 +0 -24.30136949 +0 O(ATOM 1170 OE2 GLU A 77) -1.03159568 +0 -2.75310916 +0 -26.19447186 +0 H(ATOM 1171 H GLU A 77) 1.52741522 +0 2.04112784 +0 -26.15202886 +0 H(ATOM 1172 HA GLU A 77) -1.37792129 +0 2.14054079 +0 -26.93227141 +0 H(ATOM 1173 1HB GLU A 77) 0.15322872 +0 0.78302136 +0 -24.56646180 +0 H(ATOM 1174 2HB GLU A 77) -1.61338158 +0 0.78235976 +0 -24.76603232 +0 H(ATOM 1175 1HG GLU A 77) -1.21886153 +0 -0.23908934 +0 -27.16300794 +0 H(ATOM 1176 2HG GLU A 77) 0.47360826 +0 -0.46739633 +0 -26.69513490 +0 H(ATOM 1177 HE1 GLU A 77) -1.43223121 +0 -2.47739567 +0 -23.89813022 +0 N(ATOM 1178 N PRO A 78) -1.88137730 +0 4.07152122 +0 -25.24737478 +0 C(ATOM 1179 CA PRO A 78) -2.02336074 +0 5.30021129 +0 -24.46265222 +0 C(ATOM 1180 C PRO A 78) -2.21547734 +0 5.06389326 +0 -22.96142481 +0 O(ATOM 1181 O PRO A 78) -1.73908954 +0 5.88985347 +0 -22.19043233 +0 C(ATOM 1182 CD PRO A 78) -3.00576659 +0 3.88662711 +0 -26.19040368 +0 C(ATOM 1183 CB PRO A 78) -3.27857338 +0 6.00797229 +0 -25.01806116 +0 C(ATOM 1184 CG PRO A 78) -4.06676219 +0 4.90885337 +0 -25.74537711 +0 H(ATOM 1185 HA PRO A 78) -1.09773695 +0 5.93258757 +0 -24.58408199 +0 H(ATOM 1186 1HD PRO A 78) -3.39191359 +0 2.84551298 +0 -26.14173571 +0 H(ATOM 1187 2HD PRO A 78) -2.66339847 +0 4.08592811 +0 -27.23151299 +0 H(ATOM 1188 1HB PRO A 78) -2.98637737 +0 6.81650198 +0 -25.71469237 +0 H(ATOM 1189 2HB PRO A 78) -3.87780622 +0 6.49464817 +0 -24.22864014 +0 H(ATOM 1190 1HG PRO A 78) -4.81067942 +0 4.43903629 +0 -25.07521355 +0 H(ATOM 1191 2HG PRO A 78) -4.63753339 +0 5.30710886 +0 -26.60134886 +0 N(ATOM 1192 N GLU A 79) -2.96521071 +0 4.01605922 +0 -22.51462296 +0 C(ATOM 1193 CA GLU A 79) -3.14671119 +0 3.82495506 +0 -21.07985614 +0 C(ATOM 1194 C GLU A 79) -1.94616127 +0 3.04784289 +0 -20.50935835 +0 O(ATOM 1195 O GLU A 79) -1.50721369 +0 2.02656473 +0 -21.03547961 +0 C(ATOM 1196 CB GLU A 79) -4.39114785 +0 2.97557785 +0 -20.76235138 +0 C(ATOM 1197 CG GLU A 79) -5.68048539 +0 3.72284088 +0 -21.07907650 +0 C(ATOM 1198 CD GLU A 79) -6.89812506 +0 2.87966384 +0 -20.91146924 +0 O(ATOM 1199 OE1 GLU A 79) -6.62320348 +0 1.60772640 +0 -20.54126864 +0 O(ATOM 1200 OE2 GLU A 79) -8.04678462 +0 3.22248051 +0 -21.07049859 +0 H(ATOM 1201 H GLU A 79) -3.29388146 +0 3.26617750 +0 -23.13418932 +0 H(ATOM 1202 HA GLU A 79) -3.22980791 +0 4.83737618 +0 -20.58443572 +0 H(ATOM 1203 1HB GLU A 79) -4.37558106 +0 2.68509370 +0 -19.68822127 +0 H(ATOM 1204 2HB GLU A 79) -4.35413812 +0 2.01641129 +0 -21.32692434 +0 H(ATOM 1205 1HG GLU A 79) -5.78295589 +0 4.64460848 +0 -20.45373741 +0 H(ATOM 1206 2HG GLU A 79) -5.66658021 +0 4.11743363 +0 -22.12863257 +0 H(ATOM 1207 HE1 GLU A 79) -7.42188711 +0 1.01268645 +0 -20.49068070 +0 N(ATOM 1208 N LEU A 80) -1.43276298 +0 3.51833145 +0 -19.34203782 +0 C(ATOM 1209 CA LEU A 80) -0.52440856 +0 2.67089051 +0 -18.57008485 +0 C(ATOM 1210 C LEU A 80) -1.40030133 +0 1.63663310 +0 -17.83731559 +0 O(ATOM 1211 O LEU A 80) -2.56382549 +0 1.87958485 +0 -17.54273334 +0 C(ATOM 1212 CB LEU A 80) 0.22311417 +0 3.47575700 +0 -17.50141005 +0 C(ATOM 1213 CG LEU A 80) 1.11270291 +0 4.58020678 +0 -18.10232683 +0 C(ATOM 1214 CD1 LEU A 80) 1.69902197 +0 5.39804072 +0 -16.94671446 +0 C(ATOM 1215 CD2 LEU A 80) 2.22458991 +0 3.99519598 +0 -18.97516093 +0 H(ATOM 1216 H LEU A 80) -1.80975133 +0 4.34231152 +0 -18.87074914 +0 H(ATOM 1217 HA LEU A 80) 0.20406521 +0 2.15432307 +0 -19.26361879 +0 H(ATOM 1218 1HB LEU A 80) -0.49783756 +0 3.93268461 +0 -16.79284117 +0 H(ATOM 1219 2HB LEU A 80) 0.85029620 +0 2.78313985 +0 -16.90112423 +0 H(ATOM 1220 HG LEU A 80) 0.48235559 +0 5.25220483 +0 -18.73476509 +0 H(ATOM 1221 1HD1 LEU A 80) 0.90781415 +0 5.86378744 +0 -16.34711092 +0 H(ATOM 1222 2HD1 LEU A 80) 2.30164797 +0 4.77686536 +0 -16.27421852 +0 H(ATOM 1223 3HD1 LEU A 80) 2.34438737 +0 6.20280490 +0 -17.31620716 +0 H(ATOM 1224 1HD2 LEU A 80) 1.82215912 +0 3.58299281 +0 -19.91075379 +0 H(ATOM 1225 2HD2 LEU A 80) 2.95109661 +0 4.76829471 +0 -19.25560251 +0 H(ATOM 1226 3HD2 LEU A 80) 2.76395536 +0 3.19270504 +0 -18.45944547 +0 N(ATOM 1227 N MET A 81) -0.81157463 +0 0.44990130 +0 -17.52583500 +0 C(ATOM 1228 CA MET A 81) -1.55108975 +0 -0.55408662 +0 -16.76678547 +0 C(ATOM 1229 C MET A 81) -1.05191933 +0 -0.46565283 +0 -15.31123956 +0 O(ATOM 1230 O MET A 81) 0.12560943 +0 -0.60964597 +0 -15.02431169 +0 C(ATOM 1231 CB MET A 81) -1.26552294 +0 -1.97497540 +0 -17.28070156 +0 C(ATOM 1232 CG MET A 81) -1.52105489 +0 -2.06730565 +0 -18.77898057 +0 S(ATOM 1233 SD MET A 81) -1.21815617 +1 -3.74647518 +1 -19.44285080 +1 C(ATOM 1234 CE MET A 81) -2.52304746 +1 -4.78335174 +1 -18.73970822 +1 H(ATOM 1235 H MET A 81) 0.18310969 +0 0.27221185 +0 -17.69954393 +0 H(ATOM 1236 HA MET A 81) -2.65604073 +0 -0.34212911 +0 -16.83526274 +0 H(ATOM 1237 1HB MET A 81) -1.90770702 +1 -2.69149231 +1 -16.72435290 +1 H(ATOM 1238 2HB MET A 81) -0.21932170 +1 -2.26789763 +1 -17.03947813 +1 H(ATOM 1239 1HG MET A 81) -2.54023621 +0 -1.72816252 +0 -19.03662367 +0 H(ATOM 1240 2HG MET A 81) -0.82978625 +0 -1.40751807 +0 -19.34319337 +0 H(ATOM 1241 1HE MET A 81) -2.30559932 +1 -5.83099371 +1 -19.01414077 +1 H(ATOM 1242 2HE MET A 81) -2.55119401 +1 -4.75649651 +1 -17.64465359 +1 H(ATOM 1243 3HE MET A 81) -3.51753654 +1 -4.53896839 +1 -19.12558954 +1 N(ATOM 1244 N ASP A 82) -2.00196637 +0 -0.22163063 +0 -14.36970705 +0 C(ATOM 1245 CA ASP A 82) -1.66046474 +0 -0.02488138 +0 -12.95623764 +0 C(ATOM 1246 C ASP A 82) -2.13131942 +0 -1.29701099 +0 -12.21673123 +0 O(ATOM 1247 O ASP A 82) -3.26691934 +0 -1.42342682 +0 -11.78125547 +0 C(ATOM 1248 CB ASP A 82) -2.40589469 +0 1.19583578 +0 -12.42665753 +0 C(ATOM 1249 CG ASP A 82) -2.21246708 +0 1.36475970 +0 -10.92944349 +0 O(ATOM 1250 OD1 ASP A 82) -1.49724593 +0 0.55973432 +0 -10.30802143 +0 O(ATOM 1251 OD2 ASP A 82) -2.83511766 +0 2.31047045 +0 -10.39457609 +0 H(ATOM 1252 H ASP A 82) -2.97822223 +0 -0.05924839 +0 -14.62307474 +0 H(ATOM 1253 HA ASP A 82) -0.54751385 +0 0.10648485 +0 -12.82681925 +0 H(ATOM 1254 1HB ASP A 82) -3.49662917 +0 1.11331868 +0 -12.62668695 +0 H(ATOM 1255 2HB ASP A 82) -2.06442643 +0 2.11736274 +0 -12.94003555 +0 N(ATOM 1256 N VAL A 83) -1.19091634 +0 -2.28326690 +0 -12.14283978 +0 C(ATOM 1257 CA VAL A 83) -1.48503045 +1 -3.60218590 +1 -11.60347374 +1 C(ATOM 1258 C VAL A 83) -1.21365012 +0 -3.58758594 +0 -10.08537394 +0 O(ATOM 1259 O VAL A 83) -0.15142545 +0 -3.31870012 +0 -9.56050639 +0 C(ATOM 1260 CB VAL A 83) -0.57449456 +1 -4.67584024 +1 -12.26169506 +1 C(ATOM 1261 CG1 VAL A 83) -0.81585391 +1 -6.03798465 +1 -11.60684676 +1 C(ATOM 1262 CG2 VAL A 83) -0.85420722 +1 -4.75771750 +1 -13.76299757 +1 H(ATOM 1263 H VAL A 83) -0.23586217 +0 -2.13491727 +0 -12.49172762 +0 H(ATOM 1264 HA VAL A 83) -2.56868231 +1 -3.84706398 +1 -11.79660738 +1 H(ATOM 1265 HB VAL A 83) 0.49500049 +1 -4.37149620 +1 -12.10254327 +1 H(ATOM 1266 1HG1 VAL A 83) -0.51447499 +1 -6.04208026 +1 -10.55261231 +1 H(ATOM 1267 2HG1 VAL A 83) -1.86703940 +1 -6.33683164 +1 -11.65640842 +1 H(ATOM 1268 3HG1 VAL A 83) -0.22722695 +1 -6.81877729 +1 -12.10983262 +1 H(ATOM 1269 1HG2 VAL A 83) -0.68397867 +1 -3.79584707 +1 -14.26275125 +1 H(ATOM 1270 2HG2 VAL A 83) -0.19323804 +1 -5.48821909 +1 -14.25088387 +1 H(ATOM 1271 3HG2 VAL A 83) -1.88251691 +1 -5.06345327 +1 -13.97940471 +1 N(ATOM 1272 N HIS A 84) -2.31584045 +0 -3.89037384 +0 -9.30958206 +0 C(ATOM 1273 CA HIS A 84) -2.21744041 +0 -3.99930986 +0 -7.85828006 +0 C(ATOM 1274 C HIS A 84) -2.09309111 +0 -5.50625918 +0 -7.54084836 +0 O(ATOM 1275 O HIS A 84) -2.93596267 +0 -6.29572883 +0 -7.94256817 +0 C(ATOM 1276 CB HIS A 84) -3.50629484 +0 -3.45110061 +0 -7.21500770 +0 C(ATOM 1277 CG HIS A 84) -3.53199856 +0 -1.97712134 +0 -7.25376053 +0 N(ATOM 1278 ND1 HIS A 84) -3.38174491 +0 -1.22421473 +0 -8.43026149 +0 C(ATOM 1279 CD2 HIS A 84) -3.69885295 +0 -1.06776484 +0 -6.21341338 +0 N(ATOM 1280 NE2 HIS A 84) -3.63157586 +0 0.21069752 +0 -6.76113411 +0 C(ATOM 1281 CE1 HIS A 84) -3.42855139 +0 0.10205611 +0 -8.10869517 +0 H(ATOM 1282 H HIS A 84) -3.16988558 +0 -4.27771728 +0 -9.72258183 +0 H(ATOM 1283 HA HIS A 84) -1.31834110 +0 -3.42777751 +0 -7.48675952 +0 H(ATOM 1284 1HB HIS A 84) -3.58264939 +0 -3.81796538 +0 -6.16046818 +0 H(ATOM 1285 2HB HIS A 84) -4.40066788 +0 -3.87898332 +0 -7.73131700 +0 H(ATOM 1286 HD1 HIS A 84) -3.17034725 +0 -1.61273796 +0 -9.34827312 +0 H(ATOM 1287 HD2 HIS A 84) -3.86956569 +0 -1.24295304 +0 -5.15727265 +0 H(ATOM 1288 HE2 HIS A 84) -3.68094200 +0 1.09047200 +0 -6.24539359 +0 H(ATOM 1289 HE1 HIS A 84) -3.32399373 +0 0.93932756 +0 -8.81763448 +0 N(ATOM 1290 N VAL A 85) -0.98688431 +0 -5.87872277 +0 -6.84498135 +0 C(ATOM 1291 CA VAL A 85) -0.63190516 +0 -7.27732134 +0 -6.63455548 +0 C(ATOM 1292 C VAL A 85) -0.98219422 +0 -7.59853761 +0 -5.17039826 +0 O(ATOM 1293 O VAL A 85) -0.71173031 +0 -6.83753618 +0 -4.24115324 +0 C(ATOM 1294 CB VAL A 85) 0.89210639 +0 -7.49441618 +0 -6.86889760 +0 C(ATOM 1295 CG1 VAL A 85) 1.23528906 +0 -8.97870416 +0 -6.73760451 +0 C(ATOM 1296 CG2 VAL A 85) 1.27992061 +0 -6.97749635 +0 -8.25676433 +0 H(ATOM 1297 H VAL A 85) -0.27367188 +0 -5.20964098 +0 -6.53614072 +0 H(ATOM 1298 HA VAL A 85) -1.22050024 +0 -7.93773537 +0 -7.33656688 +0 H(ATOM 1299 HB VAL A 85) 1.45883218 +0 -6.91759864 +0 -6.09542970 +0 H(ATOM 1300 1HG1 VAL A 85) 1.00386330 +0 -9.37214448 +0 -5.73941423 +0 H(ATOM 1301 2HG1 VAL A 85) 0.68548181 +0 -9.59314289 +0 -7.46152681 +0 H(ATOM 1302 3HG1 VAL A 85) 2.30551085 +0 -9.15280298 +0 -6.91198050 +0 H(ATOM 1303 1HG2 VAL A 85) 1.18806449 +0 -5.88571414 +0 -8.32847006 +0 H(ATOM 1304 2HG2 VAL A 85) 2.32129480 +0 -7.22479326 +0 -8.50044057 +0 H(ATOM 1305 3HG2 VAL A 85) 0.65249982 +0 -7.41001270 +0 -9.04369537 +0 N(ATOM 1306 N PHE A 86) -1.58816815 +0 -8.79321112 +0 -4.96890249 +0 C(ATOM 1307 CA PHE A 86) -2.08014886 +0 -9.20866790 +0 -3.66237153 +0 C(ATOM 1308 C PHE A 86) -1.54164135 +0 -10.63346613 +0 -3.43825481 +0 O(ATOM 1309 O PHE A 86) -1.49867882 +0 -11.42499436 +0 -4.36712049 +0 C(ATOM 1310 CB PHE A 86) -3.61997259 +0 -9.34993628 +0 -3.65431369 +0 C(ATOM 1311 CG PHE A 86) -4.30232263 +0 -8.02608724 +0 -3.78105995 +0 C(ATOM 1312 CD1 PHE A 86) -4.59160114 +0 -7.51045396 +0 -5.04533880 +0 C(ATOM 1313 CD2 PHE A 86) -4.67239145 +0 -7.31318452 +0 -2.63902016 +0 C(ATOM 1314 CE1 PHE A 86) -5.26279644 +0 -6.29578967 +0 -5.16513797 +0 C(ATOM 1315 CE2 PHE A 86) -5.35453020 +0 -6.10562421 +0 -2.76346740 +0 C(ATOM 1316 CZ PHE A 86) -5.65178572 +0 -5.59460518 +0 -4.02578952 +0 H(ATOM 1317 H PHE A 86) -1.83401741 +0 -9.41416870 +0 -5.75183348 +0 H(ATOM 1318 HA PHE A 86) -1.74534937 +0 -8.48593413 +0 -2.86523247 +0 H(ATOM 1319 1HB PHE A 86) -3.92527208 +0 -9.85809099 +0 -2.71306110 +0 H(ATOM 1320 2HB PHE A 86) -3.93374685 +0 -10.03170743 +0 -4.47504104 +0 H(ATOM 1321 HD1 PHE A 86) -4.27652686 +0 -8.04804570 +0 -5.93884018 +0 H(ATOM 1322 HD2 PHE A 86) -4.41740221 +0 -7.69457933 +0 -1.65054751 +0 H(ATOM 1323 HE1 PHE A 86) -5.47539822 +0 -5.89799615 +0 -6.15442775 +0 H(ATOM 1324 HE2 PHE A 86) -5.65840935 +0 -5.55722702 +0 -1.86788612 +0 H(ATOM 1325 HZ PHE A 86) -6.17848086 +0 -4.64319100 +0 -4.11661563 +0 N(ATOM 1326 N CYS A 87) -1.17680148 +0 -10.96219884 +0 -2.16862929 +0 C(ATOM 1327 CA CYS A 87) -0.85222274 +0 -12.34551377 +0 -1.84727977 +0 C(ATOM 1328 C CYS A 87) -1.91927911 +0 -12.87753072 +0 -0.87611984 +0 O(ATOM 1329 O CYS A 87) -2.53500897 +0 -12.16745771 +0 -0.09670704 +0 C(ATOM 1330 CB CYS A 87) 0.47404168 +0 -12.47515181 +0 -1.08908761 +0 S(ATOM 1331 SG CYS A 87) 1.82590778 +0 -12.82349837 +0 -2.26765016 +0 H(ATOM 1332 H CYS A 87) -1.31932627 +0 -10.31481774 +0 -1.38718681 +0 H(ATOM 1333 HA CYS A 87) -0.85481951 +0 -12.96798045 +0 -2.80076050 +0 H(ATOM 1334 1HB CYS A 87) 0.68078008 +0 -11.56795901 +0 -0.48496329 +0 H(ATOM 1335 2HB CYS A 87) 0.44139886 +0 -13.30545313 +0 -0.35185195 +0 H(ATOM 1336 HG CYS A 87) 2.88684582 +0 -12.40462025 +0 -1.54152940 +0 N(ATOM 1337 N THR A 88) -2.09188581 +0 -14.23139821 +0 -0.90533708 +0 C(ATOM 1338 CA THR A 88) -2.79040261 +0 -14.87287142 +0 0.19379128 +0 C(ATOM 1339 C THR A 88) -2.21038929 +0 -16.26734669 +0 0.41478573 +0 O(ATOM 1340 O THR A 88) -1.69503471 +0 -16.93886798 +0 -0.46004545 +0 C(ATOM 1341 CB THR A 88) -4.31404388 +0 -15.02031273 +0 -0.11684763 +0 O(ATOM 1342 OG1 THR A 88) -4.90707888 +0 -15.59192586 +0 1.02348558 +0 C(ATOM 1343 CG2 THR A 88) -4.59151324 +0 -15.97020638 +0 -1.27369680 +0 H(ATOM 1344 H THR A 88) -1.65301220 +0 -14.83165953 +0 -1.60844324 +0 H(ATOM 1345 HA THR A 88) -2.67985431 +0 -14.24172238 +0 1.12983683 +0 H(ATOM 1346 HB THR A 88) -4.75392960 +0 -14.00847193 +0 -0.28609877 +0 H(ATOM 1347 HG1 THR A 88) -5.04835194 +0 -14.91366391 +0 1.73604585 +0 H(ATOM 1348 1HG2 THR A 88) -5.67075522 +0 -16.13863116 +0 -1.38927894 +0 H(ATOM 1349 2HG2 THR A 88) -4.19489352 +0 -15.56245329 +0 -2.21217671 +0 H(ATOM 1350 3HG2 THR A 88) -4.13601713 +0 -16.95636277 +0 -1.11286355 +0 N(ATOM 1351 N ASP A 89) -2.36980243 +0 -16.74102499 +0 1.69115608 +0 C(ATOM 1352 CA ASP A 89) -2.10565270 +0 -18.13881437 +0 2.02625165 +0 C(ATOM 1353 C ASP A 89) -3.37757906 +0 -18.77219754 +0 2.64496972 +0 O(ATOM 1354 O ASP A 89) -3.29978821 +0 -19.79141438 +0 3.30548871 +0 C(ATOM 1355 CB ASP A 89) -0.91738392 +0 -18.17577547 +0 3.00239685 +0 C(ATOM 1356 CG ASP A 89) -0.55296363 +0 -19.52073133 +0 3.52695682 +0 O(ATOM 1357 OD1 ASP A 89) -0.80708470 +0 -20.52717806 +0 2.66592742 +0 O(ATOM 1358 OD2 ASP A 89) -0.01787211 +0 -19.75584292 +0 4.58623051 +0 H(ATOM 1359 H ASP A 89) -2.85983019 +0 -16.17364416 +0 2.38527627 +0 H(ATOM 1360 HA ASP A 89) -1.83469675 +0 -18.72148938 +0 1.09450142 +0 H(ATOM 1361 1HB ASP A 89) -1.08797476 +0 -17.49190886 +0 3.87036388 +0 H(ATOM 1362 2HB ASP A 89) -0.01550390 +0 -17.73894869 +0 2.48415843 +0 H(ATOM 1363 HD1 ASP A 89) -0.69434947 +0 -21.43594768 +0 3.07040916 +0 N(ATOM 1364 N SER A 90) -4.59329476 +0 -18.19424882 +0 2.36629269 +0 C(ATOM 1365 CA SER A 90) -5.79716216 +0 -18.58532424 +0 3.10074826 +0 C(ATOM 1366 C SER A 90) -6.90574256 +0 -18.93810904 +0 2.10201814 +0 O(ATOM 1367 O SER A 90) -8.02333470 +0 -18.44738360 +0 2.14295088 +0 C(ATOM 1368 CB SER A 90) -6.29598178 +0 -17.44537174 +0 4.03049850 +0 O(ATOM 1369 OG SER A 90) -6.47034847 +0 -16.24104420 +0 3.32725921 +0 H(ATOM 1370 H SER A 90) -4.66648806 +0 -17.29057397 +0 1.88599321 +0 H(ATOM 1371 HA SER A 90) -5.58725120 +0 -19.49197883 +0 3.74593103 +0 H(ATOM 1372 1HB SER A 90) -7.30172679 +0 -17.68870317 +0 4.42259543 +0 H(ATOM 1373 2HB SER A 90) -5.59855464 +0 -17.30213544 +0 4.87653669 +0 H(ATOM 1374 HG SER A 90) -5.64275994 +0 -15.69977112 +0 3.35006270 +0 N(ATOM 1375 N ILE A 91) -6.59332287 +0 -19.85536313 +0 1.12728903 +0 C(ATOM 1376 CA ILE A 91) -7.59208018 +0 -20.14919502 +0 0.10918483 +0 C(ATOM 1377 C ILE A 91) -8.60735482 +0 -21.19032254 +0 0.61399861 +0 O(ATOM 1378 O ILE A 91) -8.38117555 +0 -22.02605431 +0 1.46990251 +0 C(ATOM 1379 CB ILE A 91) -7.01842079 +0 -20.65843265 +0 -1.23733827 +0 C(ATOM 1380 CG1 ILE A 91) -6.08436188 +0 -21.86731091 +0 -1.07817676 +0 C(ATOM 1381 CG2 ILE A 91) -6.35737447 +0 -19.49091501 +0 -1.96890608 +0 C(ATOM 1382 CD1 ILE A 91) -6.02646884 +0 -22.68309762 +0 -2.37063311 +0 H(ATOM 1383 H ILE A 91) -5.72741441 +0 -20.37194355 +0 1.12711872 +0 H(ATOM 1384 HA ILE A 91) -8.15968622 +0 -19.18335961 +0 -0.09265572 +0 H(ATOM 1385 HB ILE A 91) -7.90085145 +0 -20.99060123 +0 -1.85325493 +0 H(ATOM 1386 1HG1 ILE A 91) -5.07059419 +0 -21.54448999 +0 -0.78462284 +0 H(ATOM 1387 2HG1 ILE A 91) -6.44782830 +0 -22.51896464 +0 -0.25372451 +0 H(ATOM 1388 1HG2 ILE A 91) -7.09195884 +0 -18.70722117 +0 -2.19896323 +0 H(ATOM 1389 2HG2 ILE A 91) -5.56503551 +0 -19.02703121 +0 -1.37157647 +0 H(ATOM 1390 3HG2 ILE A 91) -5.91721474 +0 -19.81711503 +0 -2.91868163 +0 H(ATOM 1391 1HD1 ILE A 91) -5.33599914 +0 -23.53016195 +0 -2.27304398 +0 H(ATOM 1392 2HD1 ILE A 91) -7.01405657 +0 -23.09362624 +0 -2.62999737 +0 H(ATOM 1393 3HD1 ILE A 91) -5.69299334 +0 -22.07731472 +0 -3.21980456 +0 N(ATOM 1394 N GLN A 92) -9.80982824 +0 -21.10637140 +0 -0.03491391 +0 C(ATOM 1395 CA GLN A 92) -10.96983554 +0 -21.89386597 +0 0.35676824 +0 C(ATOM 1396 C GLN A 92) -11.41819267 +0 -22.58193867 +0 -0.94352461 +0 O(ATOM 1397 O GLN A 92) -11.79972352 +0 -21.93118032 +0 -1.91129166 +0 C(ATOM 1398 CB GLN A 92) -12.11386456 +0 -20.96952228 +0 0.80843183 +0 C(ATOM 1399 CG GLN A 92) -11.76805430 +0 -20.25618927 +0 2.11132837 +0 C(ATOM 1400 CD GLN A 92) -12.58302435 +0 -18.99884701 +0 2.26370357 +0 O(ATOM 1401 OE1 GLN A 92) -13.30798704 +0 -18.54420748 +0 1.37670885 +0 N(ATOM 1402 NE2 GLN A 92) -12.51386746 +0 -18.35827275 +0 3.46621780 +0 H(ATOM 1403 H GLN A 92) -10.01723938 +0 -20.34581847 +0 -0.69761261 +0 H(ATOM 1404 HA GLN A 92) -10.70754766 +0 -22.62957616 +0 1.16386436 +0 H(ATOM 1405 1HB GLN A 92) -12.31205531 +0 -20.22172546 +0 0.00256271 +0 H(ATOM 1406 2HB GLN A 92) -13.05367184 +0 -21.54611597 +0 0.92297274 +0 H(ATOM 1407 1HG GLN A 92) -10.68449645 +0 -19.99588138 +0 2.15290633 +0 H(ATOM 1408 2HG GLN A 92) -11.92346560 +0 -20.93271778 +0 2.98361830 +0 H(ATOM 1409 1HE2 GLN A 92) -11.86873570 +0 -18.66183921 +0 4.18326164 +0 H(ATOM 1410 2HE2 GLN A 92) -13.00474133 +0 -17.49659041 +0 3.63285899 +0 N(ATOM 1411 N GLY A 93) -11.39002035 +0 -23.94149077 +0 -0.95288956 +0 C(ATOM 1412 CA GLY A 93) -11.64665123 +0 -24.66735505 +0 -2.18393889 +0 C(ATOM 1413 C GLY A 93) -10.34690836 +0 -25.23131662 +0 -2.75885123 +0 O(ATOM 1414 O GLY A 93) -9.24732261 +0 -24.99199515 +0 -2.29057626 +0 H(ATOM 1415 H GLY A 93) -10.98367804 +0 -24.47344111 +0 -0.18558356 +0 H(ATOM 1416 1HA GLY A 93) -12.13878224 +0 -24.00421827 +0 -2.94858597 +0 H(ATOM 1417 2HA GLY A 93) -12.36913021 +0 -25.50207003 +0 -1.97682128 +0 N(ATOM 1418 N THR A 94) -10.55032392 +0 -26.04910311 +0 -3.83602644 +0 C(ATOM 1419 CA THR A 94) -9.47750392 +0 -26.63647542 +0 -4.63154211 +0 C(ATOM 1420 C THR A 94) -9.54304709 +0 -25.93276117 +0 -5.99342836 +0 O(ATOM 1421 O THR A 94) -10.63649986 +0 -25.80526191 +0 -6.53514675 +0 C(ATOM 1422 CB THR A 94) -9.78608616 +0 -28.15501306 +0 -4.81308542 +0 O(ATOM 1423 OG1 THR A 94) -9.66140747 +0 -28.77596456 +0 -3.54774019 +0 C(ATOM 1424 CG2 THR A 94) -8.78297072 +0 -28.84695817 +0 -5.71627830 +0 H(ATOM 1425 H THR A 94) -11.50791338 +0 -26.17895445 +0 -4.20629345 +0 H(ATOM 1426 HA THR A 94) -8.48517604 +0 -26.51208353 +0 -4.12401485 +0 H(ATOM 1427 HB THR A 94) -10.83701919 +0 -28.30054132 +0 -5.16351671 +0 H(ATOM 1428 HG1 THR A 94) -10.17951465 +0 -28.28179726 +0 -2.87013766 +0 H(ATOM 1429 1HG2 THR A 94) -9.01655459 +0 -29.91982315 +0 -5.80122011 +0 H(ATOM 1430 2HG2 THR A 94) -8.79335726 +0 -28.43420262 +0 -6.73409157 +0 H(ATOM 1431 3HG2 THR A 94) -7.75850704 +0 -28.78337451 +0 -5.32678268 +0 N(ATOM 1432 N PRO A 95) -8.41879929 +0 -25.41169006 +0 -6.54529750 +0 C(ATOM 1433 CA PRO A 95) -8.46702131 +0 -24.63950007 +0 -7.79000712 +0 C(ATOM 1434 C PRO A 95) -8.84248781 +0 -25.54853984 +0 -8.97029980 +0 O(ATOM 1435 O PRO A 95) -8.39382443 +0 -26.67001812 +0 -9.12774885 +0 C(ATOM 1436 CD PRO A 95) -7.03771528 +0 -25.64521079 +0 -6.08436568 +0 C(ATOM 1437 CB PRO A 95) -7.04612637 +0 -24.08157250 +0 -7.99516862 +0 C(ATOM 1438 CG PRO A 95) -6.12706731 +0 -24.93748865 +0 -7.10701998 +0 H(ATOM 1439 HA PRO A 95) -9.22213774 +0 -23.80997609 +0 -7.67534469 +0 H(ATOM 1440 1HD PRO A 95) -6.82513026 +0 -26.73762387 +0 -6.04263580 +0 H(ATOM 1441 2HD PRO A 95) -6.90510203 +0 -25.23592308 +0 -5.05639164 +0 H(ATOM 1442 1HB PRO A 95) -7.01105404 +0 -23.01685617 +0 -7.69567793 +0 H(ATOM 1443 2HB PRO A 95) -6.73715862 +0 -24.11382881 +0 -9.05429886 +0 H(ATOM 1444 1HG PRO A 95) -5.57737325 +0 -25.68123913 +0 -7.71249497 +0 H(ATOM 1445 2HG PRO A 95) -5.36409929 +0 -24.31910729 +0 -6.60490423 +0 N(ATOM 1446 N VAL A 96) -9.69527541 +0 -24.97170772 +0 -9.86758725 +0 C(ATOM 1447 CA VAL A 96) -10.21240159 +0 -25.72648637 +0 -10.99934242 +0 C(ATOM 1448 C VAL A 96) -9.94886134 +0 -24.86174457 +0 -12.24357233 +0 O(ATOM 1449 O VAL A 96) -9.75728828 +0 -23.65293446 +0 -12.17770646 +0 C(ATOM 1450 CB VAL A 96) -11.72494134 +0 -26.06146767 +0 -10.86742726 +0 C(ATOM 1451 CG1 VAL A 96) -11.94390170 +0 -26.94602362 +0 -9.63759233 +0 C(ATOM 1452 CG2 VAL A 96) -12.58700372 +0 -24.80625023 +0 -10.77531861 +0 H(ATOM 1453 H VAL A 96) -10.08763280 +0 -24.03727242 +0 -9.73915141 +0 H(ATOM 1454 HA VAL A 96) -9.64645567 +0 -26.70314158 +0 -11.09156061 +0 H(ATOM 1455 HB VAL A 96) -12.01986083 +0 -26.64021207 +0 -11.78057585 +0 H(ATOM 1456 1HG1 VAL A 96) -11.32413764 +0 -27.84910860 +0 -9.66338317 +0 H(ATOM 1457 2HG1 VAL A 96) -11.69547372 +0 -26.41604858 +0 -8.70575599 +0 H(ATOM 1458 3HG1 VAL A 96) -12.98990107 +0 -27.26406698 +0 -9.55822847 +0 H(ATOM 1459 1HG2 VAL A 96) -12.46890839 +0 -24.15685160 +0 -11.65089351 +0 H(ATOM 1460 2HG2 VAL A 96) -13.65173914 +0 -25.06364505 +0 -10.70854197 +0 H(ATOM 1461 3HG2 VAL A 96) -12.34770248 +0 -24.20765775 +0 -9.88567791 +0 N(ATOM 1462 N GLU A 97) -9.86267343 +0 -25.55052831 +0 -13.41684706 +0 C(ATOM 1463 CA GLU A 97) -9.60159523 +0 -24.87970983 +0 -14.68756133 +0 C(ATOM 1464 C GLU A 97) -10.84568819 +0 -24.07374631 +0 -15.10567261 +0 O(ATOM 1465 O GLU A 97) -11.97990992 +0 -24.51776475 +0 -14.99835935 +0 C(ATOM 1466 CB GLU A 97) -9.28996741 +0 -25.95941240 +0 -15.74035069 +0 C(ATOM 1467 CG GLU A 97) -8.96713542 +0 -25.35843014 +0 -17.09868272 +0 C(ATOM 1468 CD GLU A 97) -8.36066075 +0 -26.40162209 +0 -18.02664111 +0 O(ATOM 1469 OE1 GLU A 97) -8.17879850 +0 -27.56068653 +0 -17.65092606 +0 O(ATOM 1470 OE2 GLU A 97) -8.07649043 +0 -25.99149517 +0 -19.19183778 +0 H(ATOM 1471 H GLU A 97) -10.13392805 +0 -26.53760036 +0 -13.47295354 +0 H(ATOM 1472 HA GLU A 97) -8.72430353 +0 -24.17935557 +0 -14.56413143 +0 H(ATOM 1473 1HB GLU A 97) -10.14524110 +0 -26.66573964 +0 -15.83087781 +0 H(ATOM 1474 2HB GLU A 97) -8.43819434 +0 -26.58497765 +0 -15.38615734 +0 H(ATOM 1475 1HG GLU A 97) -9.88029162 +0 -24.93861797 +0 -17.56990575 +0 H(ATOM 1476 2HG GLU A 97) -8.27127074 +0 -24.49772743 +0 -17.01458312 +0 N(ATOM 1477 N SER A 98) -10.59556801 +0 -22.80691848 +0 -15.55247367 +0 C(ATOM 1478 CA SER A 98) -11.63719479 +0 -21.97562180 +0 -16.13682989 +0 C(ATOM 1479 C SER A 98) -11.35153886 +0 -21.83874748 +0 -17.63851987 +0 O(ATOM 1480 O SER A 98) -10.36292749 +0 -22.33139294 +0 -18.15477626 +0 C(ATOM 1481 CB SER A 98) -11.59916784 +0 -20.56844107 +0 -15.48958711 +0 O(ATOM 1482 OG SER A 98) -10.30530410 +0 -20.03298537 +0 -15.62945934 +0 H(ATOM 1483 H SER A 98) -9.63697605 +0 -22.47469351 +0 -15.71930529 +0 H(ATOM 1484 HA SER A 98) -12.65567689 +0 -22.43823532 +0 -15.98126667 +0 H(ATOM 1485 1HB SER A 98) -12.26251379 +0 -19.85623828 +0 -16.01637691 +0 H(ATOM 1486 2HB SER A 98) -11.88901189 +0 -20.61294419 +0 -14.42111000 +0 H(ATOM 1487 HG SER A 98) -9.79768306 +0 -20.14657151 +0 -14.78091027 +0 N(ATOM 1488 N ASP A 99) -12.20664383 +0 -21.04280997 +0 -18.35803652 +0 C(ATOM 1489 CA ASP A 99) -11.90899381 +0 -20.76333738 +0 -19.76417378 +0 C(ATOM 1490 C ASP A 99) -10.59986039 +0 -19.95653548 +0 -19.87939224 +0 O(ATOM 1491 O ASP A 99) -9.85844083 +0 -20.10871706 +0 -20.84348087 +0 C(ATOM 1492 CB ASP A 99) -13.04069572 +0 -19.96033559 +0 -20.41354556 +0 C(ATOM 1493 CG ASP A 99) -14.26265504 +0 -20.82197798 +0 -20.55066703 +0 O(ATOM 1494 OD1 ASP A 99) -14.27620645 +0 -22.02674044 +0 -20.60839852 +0 O(ATOM 1495 OD2 ASP A 99) -15.38893975 +0 -20.09869897 +0 -20.61936612 +0 H(ATOM 1496 H ASP A 99) -13.10869624 +0 -20.73599459 +0 -17.98742503 +0 H(ATOM 1497 HA ASP A 99) -11.75899916 +0 -21.73731874 +0 -20.32209698 +0 H(ATOM 1498 1HB ASP A 99) -12.73717680 +0 -19.58492847 +0 -21.42359627 +0 H(ATOM 1499 2HB ASP A 99) -13.27083192 +0 -19.03516259 +0 -19.83395627 +0 H(ATOM 1500 HD2 ASP A 99) -16.17220183 +0 -20.46737567 +0 -20.00379776 +0 N(ATOM 1501 N GLU A 100) -10.26758469 +0 -19.08560570 +0 -18.88813941 +0 C(ATOM 1502 CA GLU A 100) -9.04008172 +0 -18.30336153 +0 -18.99972397 +0 C(ATOM 1503 C GLU A 100) -7.80805104 +0 -19.02255453 +0 -18.42101844 +0 O(ATOM 1504 O GLU A 100) -6.69924274 +0 -18.69392798 +0 -18.82330796 +0 C(ATOM 1505 CB GLU A 100) -9.14813616 +0 -17.00019456 +0 -18.19131234 +0 C(ATOM 1506 CG GLU A 100) -9.93124894 +0 -15.92761339 +0 -18.94853231 +0 C(ATOM 1507 CD GLU A 100) -10.12473876 +0 -14.79964850 +0 -17.97782358 +0 O(ATOM 1508 OE1 GLU A 100) -10.84323665 +0 -14.88726090 +0 -17.00497605 +0 O(ATOM 1509 OE2 GLU A 100) -9.35347012 +1 -13.73336324 +1 -18.19776247 +1 H(ATOM 1510 H GLU A 100) -10.88641896 +0 -18.87770954 +0 -18.09545552 +0 H(ATOM 1511 HA GLU A 100) -8.82482250 +0 -18.08485391 +0 -20.08646309 +0 H(ATOM 1512 1HB GLU A 100) -8.12976668 +0 -16.61393359 +0 -17.95339619 +0 H(ATOM 1513 2HB GLU A 100) -9.62540441 +0 -17.20476621 +0 -17.20368493 +0 H(ATOM 1514 1HG GLU A 100) -9.41416589 +0 -15.60376903 +0 -19.87621636 +0 H(ATOM 1515 2HG GLU A 100) -10.92719085 +0 -16.30763660 +0 -19.28038555 +0 H(ATOM 1516 HE2 GLU A 100) -9.31048831 +1 -13.01288084 +1 -17.44585152 +1 N(ATOM 1517 N MET A 101) -7.93692967 +0 -19.89474395 +0 -17.38274029 +0 C(ATOM 1518 CA MET A 101) -6.72560233 +0 -20.30127928 +0 -16.67005367 +0 C(ATOM 1519 C MET A 101) -6.74660375 +0 -21.80804849 +0 -16.38200234 +0 O(ATOM 1520 O MET A 101) -7.71215651 +0 -22.41211858 +0 -15.94904291 +0 C(ATOM 1521 CB MET A 101) -6.63141898 +0 -19.60581783 +0 -15.29263960 +0 C(ATOM 1522 CG MET A 101) -6.17624160 +0 -18.15620395 +0 -15.37337129 +0 S(ATOM 1523 SD MET A 101) -4.41320483 +0 -18.05657916 +0 -15.88555056 +0 C(ATOM 1524 CE MET A 101) -3.80085840 +0 -16.60889851 +0 -14.98454883 +0 H(ATOM 1525 H MET A 101) -8.83596899 +0 -20.17223397 +0 -16.99463855 +0 H(ATOM 1526 HA MET A 101) -5.82256600 +0 -20.04486347 +0 -17.31508001 +0 H(ATOM 1527 1HB MET A 101) -7.62857012 +0 -19.65239842 +0 -14.79601311 +0 H(ATOM 1528 2HB MET A 101) -5.96313659 +0 -20.19457718 +0 -14.62734414 +0 H(ATOM 1529 1HG MET A 101) -6.79103279 +0 -17.57894694 +0 -16.08619960 +0 H(ATOM 1530 2HG MET A 101) -6.28891935 +0 -17.66117285 +0 -14.38930389 +0 H(ATOM 1531 1HE MET A 101) -2.78972319 +0 -16.38808799 +0 -15.35551052 +0 H(ATOM 1532 2HE MET A 101) -4.41631379 +1 -15.71435469 +1 -15.14157840 +1 H(ATOM 1533 3HE MET A 101) -3.72114381 +0 -16.78889274 +0 -13.90558533 +0 N(ATOM 1534 N ARG A 102) -5.53270955 +0 -22.42770945 +0 -16.53686304 +0 C(ATOM 1535 CA ARG A 102) -5.34920301 +0 -23.83066544 +0 -16.15611441 +0 C(ATOM 1536 C ARG A 102) -4.39704738 +0 -23.80218745 +0 -14.94142680 +0 O(ATOM 1537 O ARG A 102) -3.24591995 +0 -23.40669766 +0 -15.05496116 +0 C(ATOM 1538 CB ARG A 102) -4.73486418 +0 -24.61030978 +0 -17.32949807 +0 C(ATOM 1539 CG ARG A 102) -4.21766361 +0 -25.98383681 +0 -16.90625977 +0 C(ATOM 1540 CD ARG A 102) -4.04305958 +0 -26.91165805 +0 -18.12201590 +0 N(ATOM 1541 NE ARG A 102) -2.98697069 +0 -26.51735869 +0 -19.06593599 +0 C(ATOM 1542 CZ ARG A 102) -1.64603100 +0 -26.58114973 +0 -18.65364935 +0 N(ATOM 1543 NH1 ARG A 102) -1.27756279 +0 -27.32780662 +0 -17.64576475 +0 N(ATOM 1544 NH2 ARG A 102) -0.76019420 +0 -25.82006314 +0 -19.43527122 +0 H(ATOM 1545 H ARG A 102) -4.76135932 +0 -21.96616198 +0 -17.03205584 +0 H(ATOM 1546 HA ARG A 102) -6.33932036 +0 -24.28612475 +0 -15.87743314 +0 H(ATOM 1547 1HB ARG A 102) -5.50860146 +0 -24.71564237 +0 -18.12010227 +0 H(ATOM 1548 2HB ARG A 102) -3.90848754 +0 -24.02828864 +0 -17.78711786 +0 H(ATOM 1549 1HG ARG A 102) -4.91263321 +0 -26.46600570 +0 -16.19151407 +0 H(ATOM 1550 2HG ARG A 102) -3.24990117 +0 -25.88063226 +0 -16.36727190 +0 H(ATOM 1551 1HD ARG A 102) -3.83731609 +0 -27.95154568 +0 -17.77141438 +0 H(ATOM 1552 2HD ARG A 102) -4.99428393 +0 -26.95830028 +0 -18.70672448 +0 H(ATOM 1553 HE ARG A 102) -3.23600481 +0 -25.72192718 +0 -19.66251287 +0 H(ATOM 1554 HH1 ARG A 102) -0.29353826 +0 -27.39836579 +0 -17.42833058 +0 H(ATOM 1555 1HH2 ARG A 102) 0.22033946 +0 -26.06521319 +0 -19.39716876 +0 H(ATOM 1556 2HH2 ARG A 102) -1.04512661 +0 -25.50398972 +0 -20.34892686 +0 N(ATOM 1557 N PRO A 103) -4.81866039 +0 -24.24935408 +0 -13.71645106 +0 C(ATOM 1558 CA PRO A 103) -4.04897746 +0 -23.87634773 +0 -12.51481440 +0 C(ATOM 1559 C PRO A 103) -3.18275286 +0 -25.06356660 +0 -12.06959565 +0 O(ATOM 1560 O PRO A 103) -3.63461703 +0 -26.20195045 +0 -12.02602863 +0 C(ATOM 1561 CD PRO A 103) -6.22368193 +0 -24.55598615 +0 -13.35927184 +0 C(ATOM 1562 CB PRO A 103) -5.10413611 +0 -23.64344277 +0 -11.41049058 +0 C(ATOM 1563 CG PRO A 103) -6.25737906 +0 -24.57495107 +0 -11.81641798 +0 H(ATOM 1564 HA PRO A 103) -3.41720432 +0 -22.96627783 +0 -12.70250627 +0 H(ATOM 1565 1HD PRO A 103) -6.51076816 +0 -25.53786758 +0 -13.78871018 +0 H(ATOM 1566 2HD PRO A 103) -6.90496618 +0 -23.76492320 +0 -13.75566412 +0 H(ATOM 1567 1HB PRO A 103) -5.44414410 +0 -22.58724383 +0 -11.41365997 +0 H(ATOM 1568 2HB PRO A 103) -4.71603768 +0 -23.84859086 +0 -10.40282970 +0 H(ATOM 1569 1HG PRO A 103) -6.09345188 +0 -25.59900139 +0 -11.43463379 +0 H(ATOM 1570 2HG PRO A 103) -7.22748287 +0 -24.23095843 +0 -11.41976175 +0 N(ATOM 1571 N CYS A 104) -1.93276125 +0 -24.75674887 +0 -11.63338285 +0 C(ATOM 1572 CA CYS A 104) -1.00611580 +0 -25.77903333 +0 -11.15407378 +0 C(ATOM 1573 C CYS A 104) -0.24179034 +0 -25.16689405 +0 -9.95842667 +0 O(ATOM 1574 O CYS A 104) 0.01564668 +0 -23.97956430 +0 -9.88148771 +0 C(ATOM 1575 CB CYS A 104) 0.05421368 +0 -26.12628701 +0 -12.20521522 +0 S(ATOM 1576 SG CYS A 104) -0.58861870 +0 -27.40085892 +0 -13.35639053 +0 H(ATOM 1577 H CYS A 104) -1.55274456 +0 -23.80161501 +0 -11.68483181 +0 H(ATOM 1578 HA CYS A 104) -1.58495312 +0 -26.68726448 +0 -10.81959415 +0 H(ATOM 1579 1HB CYS A 104) 0.35668364 +0 -25.22082611 +0 -12.77335264 +0 H(ATOM 1580 2HB CYS A 104) 0.98205928 +0 -26.50334732 +0 -11.72755032 +0 H(ATOM 1581 HG CYS A 104) 0.48599956 +0 -27.50179034 +0 -14.15707803 +0 N(ATOM 1582 N TRP A 105) 0.15099412 +0 -26.04898105 +0 -8.99335909 +0 C(ATOM 1583 CA TRP A 105) 0.99113917 +0 -25.59827218 +0 -7.89050038 +0 C(ATOM 1584 C TRP A 105) 2.46362556 +0 -25.83325981 +0 -8.29236032 +0 O(ATOM 1585 O TRP A 105) 2.83519762 +0 -26.87406409 +0 -8.81184298 +0 C(ATOM 1586 CB TRP A 105) 0.74259964 +0 -26.44847425 +0 -6.62815817 +0 C(ATOM 1587 CG TRP A 105) -0.56897300 +0 -26.15437554 +0 -6.02523318 +0 C(ATOM 1588 CD1 TRP A 105) -1.72277626 +0 -26.91673146 +0 -6.13875872 +0 N(ATOM 1589 NE1 TRP A 105) -2.74250201 +0 -26.34067466 +0 -5.38112880 +0 C(ATOM 1590 CD2 TRP A 105) -0.87105520 +0 -25.04262133 +0 -5.16655284 +0 C(ATOM 1591 CE2 TRP A 105) -2.23490761 +0 -25.19858693 +0 -4.76154114 +0 C(ATOM 1592 CE3 TRP A 105) -0.13935803 +0 -23.94836921 +0 -4.69312930 +0 C(ATOM 1593 CZ2 TRP A 105) -2.85204382 +0 -24.30634773 +0 -3.87571805 +0 C(ATOM 1594 CZ3 TRP A 105) -0.75348911 +0 -23.06421452 +0 -3.82628276 +0 C(ATOM 1595 CH2 TRP A 105) -2.09244321 +0 -23.24874958 +0 -3.41634234 +0 H(ATOM 1596 H TRP A 105) -0.07421569 +0 -27.03734941 +0 -9.01677209 +0 H(ATOM 1597 HA TRP A 105) 0.79750545 +0 -24.50625516 +0 -7.67780250 +0 H(ATOM 1598 1HB TRP A 105) 1.55522714 +0 -26.25384306 +0 -5.89240541 +0 H(ATOM 1599 2HB TRP A 105) 0.83203163 +0 -27.53319964 +0 -6.87536987 +0 H(ATOM 1600 HD1 TRP A 105) -1.89080213 +0 -27.82180036 +0 -6.70134488 +0 H(ATOM 1601 HE1 TRP A 105) -3.65896965 +0 -26.70963770 +0 -5.24924943 +0 H(ATOM 1602 HE3 TRP A 105) 0.89158481 +0 -23.80329243 +0 -5.01214923 +0 H(ATOM 1603 HZ2 TRP A 105) -3.87281075 +0 -24.46831616 +0 -3.54305122 +0 H(ATOM 1604 HZ3 TRP A 105) -0.20172583 +0 -22.20483320 +0 -3.44514626 +0 H(ATOM 1605 HH2 TRP A 105) -2.52730955 +0 -22.54479211 +0 -2.70801416 +0 N(ATOM 1606 N PHE A 106) 3.32980918 +0 -24.83532076 +0 -7.95322275 +0 C(ATOM 1607 CA PHE A 106) 4.73672423 +0 -24.89177045 +0 -8.32943967 +0 C(ATOM 1608 C PHE A 106) 5.53072179 +0 -24.79950546 +0 -7.01668952 +0 O(ATOM 1609 O PHE A 106) 5.21581418 +0 -24.05115827 +0 -6.10248745 +0 C(ATOM 1610 CB PHE A 106) 5.14586068 +0 -23.69971784 +0 -9.21989580 +0 C(ATOM 1611 CG PHE A 106) 4.58572157 +0 -23.86969805 +0 -10.59857630 +0 C(ATOM 1612 CD1 PHE A 106) 3.27943441 +0 -23.46767402 +0 -10.88783699 +0 C(ATOM 1613 CD2 PHE A 106) 5.36977501 +0 -24.45480890 +0 -11.59504780 +0 C(ATOM 1614 CE1 PHE A 106) 2.76027001 +0 -23.65628933 +0 -12.16655498 +0 C(ATOM 1615 CE2 PHE A 106) 4.84520289 +0 -24.64473898 +0 -12.87120346 +0 C(ATOM 1616 CZ PHE A 106) 3.54120015 +0 -24.24656790 +0 -13.15783573 +0 H(ATOM 1617 H PHE A 106) 3.00492551 +0 -23.93398092 +0 -7.58623514 +0 H(ATOM 1618 HA PHE A 106) 4.96113707 +0 -25.85640155 +0 -8.87179632 +0 H(ATOM 1619 1HB PHE A 106) 6.25853039 +0 -23.62808670 +0 -9.24951722 +0 H(ATOM 1620 2HB PHE A 106) 4.80806187 +0 -22.74487248 +0 -8.76487991 +0 H(ATOM 1621 HD1 PHE A 106) 2.65586026 +0 -23.02053373 +0 -10.11280246 +0 H(ATOM 1622 HD2 PHE A 106) 6.39270430 +0 -24.76803254 +0 -11.37285632 +0 H(ATOM 1623 HE1 PHE A 106) 1.74019507 +0 -23.34572874 +0 -12.39376220 +0 H(ATOM 1624 HE2 PHE A 106) 5.45227576 +0 -25.11243072 +0 -13.64499639 +0 H(ATOM 1625 HZ PHE A 106) 3.13062854 +0 -24.39448253 +0 -14.15804654 +0 N(ATOM 1626 N GLN A 107) 6.57910296 +0 -25.66574010 +0 -6.88915622 +0 C(ATOM 1627 CA GLN A 107) 7.49459157 +0 -25.48967190 +0 -5.76334576 +0 C(ATOM 1628 C GLN A 107) 8.25114573 +0 -24.16803389 +0 -5.99858838 +0 O(ATOM 1629 O GLN A 107) 8.34729836 +0 -23.66996763 +0 -7.10899372 +0 C(ATOM 1630 CB GLN A 107) 8.49091212 +0 -26.65715640 +0 -5.69497342 +0 C(ATOM 1631 CG GLN A 107) 7.78568792 +0 -27.97061751 +0 -5.35697321 +0 C(ATOM 1632 CD GLN A 107) 7.24748313 +0 -27.97680253 +0 -3.94603813 +0 O(ATOM 1633 OE1 GLN A 107) 6.04079818 +0 -27.97221965 +0 -3.69134596 +0 N(ATOM 1634 NE2 GLN A 107) 8.14298861 +0 -28.04439351 +0 -2.92471255 +0 H(ATOM 1635 H GLN A 107) 6.94008965 +0 -26.21005762 +0 -7.69187682 +0 H(ATOM 1636 HA GLN A 107) 6.90102416 +0 -25.42214690 +0 -4.80273196 +0 H(ATOM 1637 1HB GLN A 107) 9.28066852 +0 -26.43190813 +0 -4.94709851 +0 H(ATOM 1638 2HB GLN A 107) 9.02749841 +0 -26.76595799 +0 -6.66406905 +0 H(ATOM 1639 1HG GLN A 107) 6.95752857 +0 -28.16960567 +0 -6.07476694 +0 H(ATOM 1640 2HG GLN A 107) 8.48601608 +0 -28.82806022 +0 -5.49988277 +0 H(ATOM 1641 1HE2 GLN A 107) 9.13845615 +0 -28.00554478 +0 -3.07351043 +0 H(ATOM 1642 2HE2 GLN A 107) 7.84438286 +0 -27.99417830 +0 -1.96743759 +0 N(ATOM 1643 N LEU A 108) 8.76072838 +0 -23.54635774 +0 -4.89368166 +0 C(ATOM 1644 CA LEU A 108) 9.20697686 +0 -22.15405723 +0 -4.97845538 +0 C(ATOM 1645 C LEU A 108) 10.58843096 +0 -22.01656937 +0 -5.64151634 +0 O(ATOM 1646 O LEU A 108) 10.97658337 +0 -20.94396418 +0 -6.06977698 +0 C(ATOM 1647 CB LEU A 108) 9.22371634 +0 -21.51627087 +0 -3.58373121 +0 C(ATOM 1648 CG LEU A 108) 7.82673890 +0 -21.52568634 +0 -2.92710927 +0 C(ATOM 1649 CD1 LEU A 108) 7.89319236 +0 -20.80146984 +0 -1.58007876 +0 C(ATOM 1650 CD2 LEU A 108) 6.76762925 +0 -20.88575015 +0 -3.83137583 +0 H(ATOM 1651 H LEU A 108) 8.76075279 +0 -23.98903764 +0 -3.96988073 +0 H(ATOM 1652 HA LEU A 108) 8.49954093 +0 -21.58209078 +0 -5.65682098 +0 H(ATOM 1653 1HB LEU A 108) 9.94652651 +0 -22.04134388 +0 -2.92484541 +0 H(ATOM 1654 2HB LEU A 108) 9.60481588 +0 -20.47777680 +0 -3.66011734 +0 H(ATOM 1655 HG LEU A 108) 7.52921293 +0 -22.58725863 +0 -2.73704098 +0 H(ATOM 1656 1HD1 LEU A 108) 8.65001322 +0 -21.24350879 +0 -0.91958408 +0 H(ATOM 1657 2HD1 LEU A 108) 8.14943616 +0 -19.74107697 +0 -1.69225095 +0 H(ATOM 1658 3HD1 LEU A 108) 6.93529938 +0 -20.86121002 +0 -1.04816842 +0 H(ATOM 1659 1HD2 LEU A 108) 6.53383246 +0 -21.52548247 +0 -4.69131517 +0 H(ATOM 1660 2HD2 LEU A 108) 5.83019058 +0 -20.72804990 +0 -3.28189044 +0 H(ATOM 1661 3HD2 LEU A 108) 7.09373204 +0 -19.91307127 +0 -4.21356574 +0 N(ATOM 1662 N ASP A 109) 11.34322685 +0 -23.15525618 +0 -5.77869085 +0 C(ATOM 1663 CA ASP A 109) 12.54422415 +0 -23.17596230 +0 -6.60293408 +0 C(ATOM 1664 C ASP A 109) 12.27743976 +0 -23.72783671 +0 -8.02166108 +0 O(ATOM 1665 O ASP A 109) 13.21691395 +0 -23.99951786 +0 -8.75367433 +0 C(ATOM 1666 CB ASP A 109) 13.64547165 +0 -24.01317938 +0 -5.94786796 +0 C(ATOM 1667 CG ASP A 109) 13.33602971 +0 -25.43995633 +0 -5.65522432 +0 O(ATOM 1668 OD1 ASP A 109) 12.03669673 +0 -25.77464495 +0 -5.84800767 +0 O(ATOM 1669 OD2 ASP A 109) 14.11947459 +0 -26.27670679 +0 -5.27304032 +0 H(ATOM 1670 H ASP A 109) 11.03254215 +0 -24.04687391 +0 -5.40732948 +0 H(ATOM 1671 HA ASP A 109) 12.92522278 +0 -22.11313608 +0 -6.74044820 +0 H(ATOM 1672 1HB ASP A 109) 13.97123905 +0 -23.52115076 +0 -4.99077378 +0 H(ATOM 1673 2HB ASP A 109) 14.56827872 +0 -23.97263728 +0 -6.59066068 +0 H(ATOM 1674 HD1 ASP A 109) 11.81744629 +0 -26.71778155 +0 -5.60705805 +0 N(ATOM 1675 N GLN A 110) 10.98438321 +0 -23.86113611 +0 -8.43234682 +0 C(ATOM 1676 CA GLN A 110) 10.66270942 +0 -24.38218620 +0 -9.76398359 +0 C(ATOM 1677 C GLN A 110) 9.65029215 +0 -23.43697679 +0 -10.41866735 +0 O(ATOM 1678 O GLN A 110) 8.70265900 +0 -23.82643694 +0 -11.09318907 +0 C(ATOM 1679 CB GLN A 110) 10.09611977 +0 -25.80831525 +0 -9.65495780 +0 C(ATOM 1680 CG GLN A 110) 11.23072597 +0 -26.74638239 +0 -9.24966270 +0 C(ATOM 1681 CD GLN A 110) 10.79063497 +0 -28.17634304 +0 -9.13084618 +0 O(ATOM 1682 OE1 GLN A 110) 9.61589216 +0 -28.54652554 +0 -9.13059588 +0 N(ATOM 1683 NE2 GLN A 110) 11.77846336 +0 -29.11016718 +0 -9.02142296 +0 H(ATOM 1684 H GLN A 110) 10.19196029 +0 -23.70263662 +0 -7.80929307 +0 H(ATOM 1685 HA GLN A 110) 11.59189812 +0 -24.38889044 +0 -10.41202542 +0 H(ATOM 1686 1HB GLN A 110) 9.25865991 +0 -25.84669163 +0 -8.92822200 +0 H(ATOM 1687 2HB GLN A 110) 9.65086092 +0 -26.11846932 +0 -10.62443763 +0 H(ATOM 1688 1HG GLN A 110) 11.67778654 +0 -26.41535719 +0 -8.28317717 +0 H(ATOM 1689 2HG GLN A 110) 12.07145192 +0 -26.66051732 +0 -9.98212005 +0 H(ATOM 1690 1HE2 GLN A 110) 11.56982858 +0 -30.08555343 +0 -8.88115966 +0 H(ATOM 1691 2HE2 GLN A 110) 12.75075489 +0 -28.85914485 +0 -8.94177942 +0 N(ATOM 1692 N ILE A 111) 9.84012685 +0 -22.10567939 +0 -10.21024870 +0 C(ATOM 1693 CA ILE A 111) 8.88376308 +0 -21.15539815 +0 -10.77699279 +0 C(ATOM 1694 C ILE A 111) 9.23684485 +0 -21.00147042 +0 -12.26361354 +0 O(ATOM 1695 O ILE A 111) 10.38885287 +0 -20.84291361 +0 -12.65135904 +0 C(ATOM 1696 CB ILE A 111) 8.96207591 +0 -19.81453221 +0 -10.01190979 +0 C(ATOM 1697 CG1 ILE A 111) 8.33317717 +0 -20.02179565 +0 -8.61903215 +0 C(ATOM 1698 CG2 ILE A 111) 8.22198051 +0 -18.72707279 +0 -10.78490851 +0 C(ATOM 1699 CD1 ILE A 111) 8.82010656 +0 -18.96078731 +0 -7.64138368 +0 H(ATOM 1700 H ILE A 111) 10.66018635 +0 -21.71879028 +0 -9.73571319 +0 H(ATOM 1701 HA ILE A 111) 7.84619067 +0 -21.58442517 +0 -10.66329712 +0 H(ATOM 1702 HB ILE A 111) 10.03835929 +0 -19.51629242 +0 -9.89993457 +0 H(ATOM 1703 1HG1 ILE A 111) 8.59443514 +0 -21.02527288 +0 -8.22176691 +0 H(ATOM 1704 2HG1 ILE A 111) 7.23046542 +0 -20.00474483 +0 -8.69258062 +0 H(ATOM 1705 1HG2 ILE A 111) 8.69943366 +0 -18.52451412 +0 -11.75337524 +0 H(ATOM 1706 2HG2 ILE A 111) 7.17410562 +0 -18.98840711 +0 -10.96331004 +0 H(ATOM 1707 3HG2 ILE A 111) 8.23464122 +0 -17.77596911 +0 -10.23681298 +0 H(ATOM 1708 1HD1 ILE A 111) 8.27864400 +0 -19.00784679 +0 -6.69139163 +0 H(ATOM 1709 2HD1 ILE A 111) 9.88737537 +0 -19.10197329 +0 -7.40582226 +0 H(ATOM 1710 3HD1 ILE A 111) 8.71089684 +0 -17.95057865 +0 -8.05155964 +0 N(ATOM 1711 N PRO A 112) 8.23002910 +0 -21.07446136 +0 -13.18624383 +0 C(ATOM 1712 CA PRO A 112) 8.51674032 +0 -21.29110485 +0 -14.61155617 +0 C(ATOM 1713 C PRO A 112) 8.74487638 +0 -19.94554993 +0 -15.32806280 +0 O(ATOM 1714 O PRO A 112) 8.04923074 +0 -19.59743868 +0 -16.27120817 +0 C(ATOM 1715 CD PRO A 112) 6.80255464 +0 -21.30989705 +0 -12.87625885 +0 C(ATOM 1716 CB PRO A 112) 7.26179559 +0 -22.00188401 +0 -15.15941376 +0 C(ATOM 1717 CG PRO A 112) 6.12563320 +0 -21.52922205 +0 -14.23998374 +0 H(ATOM 1718 HA PRO A 112) 9.43951236 +0 -21.91989120 +0 -14.74020853 +0 H(ATOM 1719 1HD PRO A 112) 6.38525697 +0 -20.42860005 +0 -12.34417814 +0 H(ATOM 1720 2HD PRO A 112) 6.68677350 +0 -22.20644486 +0 -12.22301287 +0 H(ATOM 1721 1HB PRO A 112) 7.07278820 +0 -21.75570432 +0 -16.21684064 +0 H(ATOM 1722 2HB PRO A 112) 7.38853516 +0 -23.09802825 +0 -15.10583843 +0 H(ATOM 1723 1HG PRO A 112) 5.29860642 +0 -22.25588634 +0 -14.17833836 +0 H(ATOM 1724 2HG PRO A 112) 5.68753819 +0 -20.58724238 +0 -14.61998612 +0 N(ATOM 1725 N PHE A 113) 9.81619208 +0 -19.20895117 +0 -14.89985323 +0 C(ATOM 1726 CA PHE A 113) 10.04658414 +0 -17.83550244 +0 -15.36204856 +0 C(ATOM 1727 C PHE A 113) 10.16128910 +0 -17.73919312 +0 -16.88786787 +0 O(ATOM 1728 O PHE A 113) 9.69290700 +0 -16.77902761 +0 -17.48342717 +0 C(ATOM 1729 CB PHE A 113) 11.34581537 +0 -17.26944284 +0 -14.76064834 +0 C(ATOM 1730 CG PHE A 113) 11.16544404 +0 -16.93482350 +0 -13.31394732 +0 C(ATOM 1731 CD1 PHE A 113) 10.24640092 +0 -15.94930864 +0 -12.94510679 +0 C(ATOM 1732 CD2 PHE A 113) 11.91395725 +0 -17.59052753 +0 -12.33670053 +0 C(ATOM 1733 CE1 PHE A 113) 10.06786115 +0 -15.63395697 +0 -11.60228260 +0 C(ATOM 1734 CE2 PHE A 113) 11.74213102 +0 -17.26138671 +0 -10.99327121 +0 C(ATOM 1735 CZ PHE A 113) 10.82008878 +0 -16.28404589 +0 -10.62472779 +0 H(ATOM 1736 H PHE A 113) 10.32753928 +0 -19.50018617 +0 -14.05776488 +0 H(ATOM 1737 HA PHE A 113) 9.16905498 +0 -17.18843018 +0 -15.05997220 +0 H(ATOM 1738 1HB PHE A 113) 11.63807713 +0 -16.34512266 +0 -15.31815708 +0 H(ATOM 1739 2HB PHE A 113) 12.19052484 +0 -17.97420868 +0 -14.91904484 +0 H(ATOM 1740 HD1 PHE A 113) 9.67411479 +0 -15.42873309 +0 -13.71588238 +0 H(ATOM 1741 HD2 PHE A 113) 12.63221707 +0 -18.36078168 +0 -12.61518046 +0 H(ATOM 1742 HE1 PHE A 113) 9.33692363 +0 -14.88215964 +0 -11.31716706 +0 H(ATOM 1743 HE2 PHE A 113) 12.32636429 +0 -17.77524992 +0 -10.22982371 +0 H(ATOM 1744 HZ PHE A 113) 10.69358164 +0 -16.03562879 +0 -9.57329940 +0 N(ATOM 1745 N LYS A 114) 10.81744956 +0 -18.73366555 +0 -17.55474916 +0 C(ATOM 1746 CA LYS A 114) 10.97141622 +0 -18.63207019 +0 -19.00495434 +0 C(ATOM 1747 C LYS A 114) 9.61387144 +0 -18.69747618 +0 -19.73302519 +0 O(ATOM 1748 O LYS A 114) 9.49336961 +0 -18.27856272 +0 -20.87206661 +0 C(ATOM 1749 CB LYS A 114) 11.90761016 +0 -19.72340369 +0 -19.53960799 +0 C(ATOM 1750 CG LYS A 114) 11.44442149 +0 -21.14677548 +0 -19.21206828 +0 C(ATOM 1751 CD LYS A 114) 12.24533355 +0 -22.16962407 +0 -20.02942243 +0 C(ATOM 1752 CE LYS A 114) 11.36006469 +0 -23.36537242 +0 -20.41944500 +0 N(ATOM 1753 NZ LYS A 114) 11.93082353 +0 -24.02234576 +0 -21.62541057 +0 H(ATOM 1754 H LYS A 114) 11.26677285 +0 -19.51724125 +0 -17.06496220 +0 H(ATOM 1755 HA LYS A 114) 11.40656720 +0 -17.61422935 +0 -19.25181526 +0 H(ATOM 1756 1HB LYS A 114) 12.00409140 +0 -19.59766559 +0 -20.64008299 +0 H(ATOM 1757 2HB LYS A 114) 12.92958722 +0 -19.56220612 +0 -19.13389470 +0 H(ATOM 1758 1HG LYS A 114) 11.56505299 +0 -21.36257103 +0 -18.13006954 +0 H(ATOM 1759 2HG LYS A 114) 10.36098110 +0 -21.25170886 +0 -19.40747885 +0 H(ATOM 1760 1HD LYS A 114) 13.12539679 +0 -22.51416909 +0 -19.45500155 +0 H(ATOM 1761 2HD LYS A 114) 12.66207021 +0 -21.70485792 +0 -20.94476902 +0 H(ATOM 1762 1HE LYS A 114) 11.25912055 +0 -24.06357770 +0 -19.56176180 +0 H(ATOM 1763 2HE LYS A 114) 10.33120766 +0 -23.02332495 +0 -20.66846365 +0 H(ATOM 1764 1HZ LYS A 114) 12.77428770 +0 -24.53357906 +0 -21.39163530 +0 H(ATOM 1765 2HZ LYS A 114) 11.27516146 +0 -24.70471285 +0 -21.99492870 +0 N(ATOM 1766 N ASP A 115) 8.55075850 +0 -19.25033135 +0 -19.06151416 +0 C(ATOM 1767 CA ASP A 115) 7.20354173 +0 -19.22902093 +0 -19.61521337 +0 C(ATOM 1768 C ASP A 115) 6.28638957 +0 -18.28526427 +0 -18.80190892 +0 O(ATOM 1769 O ASP A 115) 5.10681098 +0 -18.55976017 +0 -18.64365272 +0 C(ATOM 1770 CB ASP A 115) 6.59727220 +0 -20.63853948 +0 -19.55739707 +0 C(ATOM 1771 CG ASP A 115) 7.22234767 +0 -21.56261765 +0 -20.54998348 +0 O(ATOM 1772 OD1 ASP A 115) 7.42951766 +0 -20.97187220 +0 -21.73385051 +0 O(ATOM 1773 OD2 ASP A 115) 7.51346258 +0 -22.72474178 +0 -20.35836167 +0 H(ATOM 1774 H ASP A 115) 8.63383793 +0 -19.49233700 +0 -18.06761297 +0 H(ATOM 1775 HA ASP A 115) 7.22747672 +0 -18.84419169 +0 -20.68005615 +0 H(ATOM 1776 1HB ASP A 115) 6.70627987 +0 -21.06188264 +0 -18.52997123 +0 H(ATOM 1777 2HB ASP A 115) 5.49173636 +0 -20.59091573 +0 -19.73389836 +0 H(ATOM 1778 HD1 ASP A 115) 7.81677920 +0 -21.56975555 +0 -22.44460757 +0 N(ATOM 1779 N MET A 116) 6.84385891 +0 -17.11274571 +0 -18.40198861 +0 C(ATOM 1780 CA MET A 116) 6.08195831 +0 -16.11274531 +0 -17.65892878 +0 C(ATOM 1781 C MET A 116) 6.42695637 +0 -14.76263795 +0 -18.29850721 +0 O(ATOM 1782 O MET A 116) 7.36164824 +0 -14.58684771 +0 -19.06545884 +0 C(ATOM 1783 CB MET A 116) 6.49118628 +0 -16.08052137 +0 -16.16951016 +0 C(ATOM 1784 CG MET A 116) 5.87111881 +0 -17.26450183 +0 -15.44009180 +0 S(ATOM 1785 SD MET A 116) 6.56315068 +0 -17.49719072 +0 -13.76468367 +0 C(ATOM 1786 CE MET A 116) 5.68668078 +1 -16.27039184 +1 -12.74727337 +1 H(ATOM 1787 H MET A 116) 7.86225541 +0 -16.98126501 +0 -18.38339314 +0 H(ATOM 1788 HA MET A 116) 4.97547524 +0 -16.31641377 +0 -17.74544596 +0 H(ATOM 1789 1HB MET A 116) 7.60314493 +0 -16.08377256 +0 -16.09061627 +0 H(ATOM 1790 2HB MET A 116) 6.16729389 +1 -15.12401335 +1 -15.70710916 +1 H(ATOM 1791 1HG MET A 116) 4.76866712 +0 -17.15831888 +0 -15.38657907 +0 H(ATOM 1792 2HG MET A 116) 6.08114230 +0 -18.21471703 +0 -15.98162281 +0 H(ATOM 1793 1HE MET A 116) 6.23555032 +0 -16.15944439 +0 -11.80306400 +0 H(ATOM 1794 2HE MET A 116) 5.62837302 +1 -15.28589327 +1 -13.22843966 +1 H(ATOM 1795 3HE MET A 116) 4.66773211 +1 -16.59319906 +1 -12.51245301 +1 N(ATOM 1796 N TRP A 117) 5.58807858 +1 -13.72187239 +1 -18.00437388 +1 C(ATOM 1797 CA TRP A 117) 5.97236737 +1 -12.38868204 +1 -18.46498293 +1 C(ATOM 1798 C TRP A 117) 7.42334346 +0 -12.11467011 +0 -18.01395774 +0 O(ATOM 1799 O TRP A 117) 7.81606831 +0 -12.44448164 +0 -16.90180803 +0 C(ATOM 1800 CB TRP A 117) 5.04645179 +1 -11.31418216 +1 -17.87170692 +1 C(ATOM 1801 CG TRP A 117) 3.73150543 +1 -11.30583579 +1 -18.54102021 +1 C(ATOM 1802 CD1 TRP A 117) 2.60090074 +1 -12.01876138 +1 -18.16811558 +1 N(ATOM 1803 NE1 TRP A 117) 1.53820159 +1 -11.69492522 +1 -19.01214770 +1 C(ATOM 1804 CD2 TRP A 117) 3.36277830 +1 -10.46753836 +1 -19.64921509 +1 C(ATOM 1805 CE2 TRP A 117) 1.97548806 +1 -10.71646391 +1 -19.90695756 +1 C(ATOM 1806 CE3 TRP A 117) 4.04171262 +1 -9.51917492 +1 -20.42200742 +1 C(ATOM 1807 CZ2 TRP A 117) 1.28515145 +1 -10.05673212 +1 -20.93147287 +1 C(ATOM 1808 CZ3 TRP A 117) 3.35955511 +1 -8.88193402 +1 -21.44206644 +1 C(ATOM 1809 CH2 TRP A 117) 1.99674706 +1 -9.14943730 +1 -21.69315015 +1 H(ATOM 1810 H TRP A 117) 4.84021104 +1 -13.77991838 +1 -17.30094415 +1 H(ATOM 1811 HA TRP A 117) 5.89690734 +0 -12.36736844 +0 -19.58419845 +0 H(ATOM 1812 1HB TRP A 117) 5.51869857 +1 -10.30704839 +1 -17.95632076 +1 H(ATOM 1813 2HB TRP A 117) 4.92517683 +1 -11.46910802 +1 -16.77468228 +1 H(ATOM 1814 HD1 TRP A 117) 2.47620958 +1 -12.74514803 +1 -17.37564987 +1 H(ATOM 1815 HE1 TRP A 117) 0.58204583 +1 -11.94266872 +1 -18.84936800 +1 H(ATOM 1816 HE3 TRP A 117) 5.07715353 +1 -9.26926101 +1 -20.20123868 +1 H(ATOM 1817 HZ2 TRP A 117) 0.22648759 +1 -10.22549248 +1 -21.09692009 +1 H(ATOM 1818 HZ3 TRP A 117) 3.86618998 +1 -8.13088176 +1 -22.04641288 +1 H(ATOM 1819 HH2 TRP A 117) 1.49213139 +1 -8.60809343 +1 -22.49342465 +1 N(ATOM 1820 N PRO A 118) 8.23810154 +0 -11.37733420 +0 -18.83541447 +0 C(ATOM 1821 CA PRO A 118) 9.68474567 +0 -11.27116678 +0 -18.56587111 +0 C(ATOM 1822 C PRO A 118) 9.99696333 +0 -10.40442877 +0 -17.34998802 +0 O(ATOM 1823 O PRO A 118) 11.08268905 +0 -10.47514067 +0 -16.78156948 +0 C(ATOM 1824 CD PRO A 118) 7.95141251 +0 -11.11365370 +0 -20.26551199 +0 C(ATOM 1825 CB PRO A 118) 10.29353882 +0 -10.61113143 +0 -19.82314133 +0 C(ATOM 1826 CG PRO A 118) 9.32089554 +0 -10.97060100 +0 -20.95218539 +0 H(ATOM 1827 HA PRO A 118) 10.12240057 +0 -12.29704935 +0 -18.39039559 +0 H(ATOM 1828 1HD PRO A 118) 7.35219574 +1 -10.17752075 +1 -20.33929482 +1 H(ATOM 1829 2HD PRO A 118) 7.36227503 +0 -11.93813037 +0 -20.72379643 +0 H(ATOM 1830 1HB PRO A 118) 11.31865197 +0 -10.97164940 +0 -20.01586611 +0 H(ATOM 1831 2HB PRO A 118) 10.37308755 +0 -9.51281368 +0 -19.70679589 +0 H(ATOM 1832 1HG PRO A 118) 9.30922968 +0 -10.20105987 +0 -21.74500760 +0 H(ATOM 1833 2HG PRO A 118) 9.60777912 +0 -11.92865996 +0 -21.42747346 +0 N(ATOM 1834 N ASP A 119) 9.06349233 +0 -9.49776842 +0 -16.93516611 +0 C(ATOM 1835 CA ASP A 119) 9.32733148 +0 -8.68474556 +0 -15.74974808 +0 C(ATOM 1836 C ASP A 119) 9.24332861 +0 -9.50337074 +0 -14.44566694 +0 O(ATOM 1837 O ASP A 119) 9.75475805 +0 -9.06585401 +0 -13.42385468 +0 C(ATOM 1838 CB ASP A 119) 8.34327751 +1 -7.52132457 +1 -15.64577011 +1 C(ATOM 1839 CG ASP A 119) 6.89747428 +1 -7.96104088 +1 -15.63162144 +1 O(ATOM 1840 OD1 ASP A 119) 6.49108796 +1 -8.38987542 +1 -16.80579522 +1 O(ATOM 1841 OD2 ASP A 119) 6.17233259 +1 -7.89170296 +1 -14.66260991 +1 H(ATOM 1842 H ASP A 119) 8.11262743 +1 -9.45920861 +1 -17.31242432 +1 H(ATOM 1843 HA ASP A 119) 10.38692862 +0 -8.28396087 +0 -15.81352740 +0 H(ATOM 1844 1HB ASP A 119) 8.50110916 +1 -6.80607154 +1 -16.48652554 +1 H(ATOM 1845 2HB ASP A 119) 8.55881078 +0 -6.93389759 +0 -14.72004751 +0 H(ATOM 1846 HD1 ASP A 119) 5.37750401 +1 -8.55434080 +1 -16.86531095 +1 N(ATOM 1847 N ASP A 120) 8.60107157 +0 -10.70223579 +0 -14.48927353 +0 C(ATOM 1848 CA ASP A 120) 8.32896194 +1 -11.48369461 +1 -13.28010634 +1 C(ATOM 1849 C ASP A 120) 9.66538098 +0 -11.91694130 +0 -12.65554181 +0 O(ATOM 1850 O ASP A 120) 9.88499085 +0 -11.78572024 +0 -11.45870348 +0 C(ATOM 1851 CB ASP A 120) 7.48448899 +1 -12.70690343 +1 -13.64532045 +1 C(ATOM 1852 CG ASP A 120) 6.11881370 +1 -12.34805145 +1 -14.15610613 +1 O(ATOM 1853 OD1 ASP A 120) 6.02322545 +1 -11.09685295 +1 -14.57972104 +1 O(ATOM 1854 OD2 ASP A 120) 5.18846222 +1 -13.13161463 +1 -14.16685159 +1 H(ATOM 1855 H ASP A 120) 8.10284461 +1 -11.00354626 +1 -15.33160985 +1 H(ATOM 1856 HA ASP A 120) 7.79526130 +1 -10.84326554 +1 -12.51546720 +1 H(ATOM 1857 1HB ASP A 120) 7.38215048 +1 -13.38506415 +1 -12.76614490 +1 H(ATOM 1858 2HB ASP A 120) 7.99998958 +1 -13.33019127 +1 -14.43126365 +1 H(ATOM 1859 HD1 ASP A 120) 5.09759331 +1 -10.73588257 +1 -14.88551469 +1 N(ATOM 1860 N SER A 121) 10.64760196 +0 -12.33552076 +0 -13.49771252 +0 C(ATOM 1861 CA SER A 121) 11.98045208 +0 -12.62450002 +0 -12.96446033 +0 C(ATOM 1862 C SER A 121) 12.48664855 +0 -11.55936103 +0 -11.97762317 +0 O(ATOM 1863 O SER A 121) 13.27052157 +0 -11.86332549 +0 -11.08916180 +0 C(ATOM 1864 CB SER A 121) 13.00006190 +0 -12.65997405 +0 -14.12909872 +0 O(ATOM 1865 OG SER A 121) 12.95962303 +0 -13.93210166 +0 -14.71737382 +0 H(ATOM 1866 H SER A 121) 10.44834062 +0 -12.65732809 +0 -14.46192655 +0 H(ATOM 1867 HA SER A 121) 11.96527760 +0 -13.62196948 +0 -12.43201639 +0 H(ATOM 1868 1HB SER A 121) 12.72233831 +0 -11.96251274 +0 -14.94738642 +0 H(ATOM 1869 2HB SER A 121) 14.02867395 +0 -12.43050287 +0 -13.78713158 +0 H(ATOM 1870 HG SER A 121) 13.41593927 +0 -14.61030117 +0 -14.17061809 +0 N(ATOM 1871 N TYR A 122) 12.15391409 +0 -10.25548133 +0 -12.21914706 +0 C(ATOM 1872 CA TYR A 122) 12.70914440 +0 -9.18263551 +0 -11.40450510 +0 C(ATOM 1873 C TYR A 122) 11.94685927 +0 -9.02363904 +0 -10.07447586 +0 O(ATOM 1874 O TYR A 122) 12.54880766 +0 -8.90055293 +0 -9.01612190 +0 C(ATOM 1875 CB TYR A 122) 12.63948202 +0 -7.82986067 +0 -12.14619988 +0 C(ATOM 1876 CG TYR A 122) 13.51281681 +0 -7.80182959 +0 -13.36174343 +0 C(ATOM 1877 CD1 TYR A 122) 14.84913950 +0 -7.40229375 +0 -13.26757742 +0 C(ATOM 1878 CD2 TYR A 122) 12.97667686 +0 -8.14925401 +0 -14.60473370 +0 C(ATOM 1879 CE1 TYR A 122) 15.64485238 +0 -7.33405951 +0 -14.40646405 +0 C(ATOM 1880 CE2 TYR A 122) 13.74944640 +0 -8.08515340 +0 -15.75790804 +0 C(ATOM 1881 CZ TYR A 122) 15.07954718 +0 -7.67282494 +0 -15.63767554 +0 O(ATOM 1882 OH TYR A 122) 15.79375298 +0 -7.64529950 +0 -16.79253022 +0 H(ATOM 1883 H TYR A 122) 11.37169186 +0 -10.02193970 +0 -12.83037354 +0 H(ATOM 1884 HA TYR A 122) 13.78460684 +0 -9.43118047 +0 -11.15308642 +0 H(ATOM 1885 1HB TYR A 122) 12.94066223 +0 -7.02131495 +0 -11.44250897 +0 H(ATOM 1886 2HB TYR A 122) 11.58503875 +0 -7.60376911 +0 -12.42669660 +0 H(ATOM 1887 HD1 TYR A 122) 15.27714672 +0 -7.13759253 +0 -12.29876540 +0 H(ATOM 1888 HD2 TYR A 122) 11.93920679 +0 -8.48068223 +0 -14.66864576 +0 H(ATOM 1889 HE1 TYR A 122) 16.68280227 +0 -7.01102366 +0 -14.33903786 +0 H(ATOM 1890 HE2 TYR A 122) 13.34017826 +0 -8.34114251 +0 -16.72982926 +0 H(ATOM 1891 HH TYR A 122) 16.68837219 +0 -7.22403847 +0 -16.66770816 +0 N(ATOM 1892 N TRP A 123) 10.58006903 +0 -8.95592740 +0 -10.08401590 +0 C(ATOM 1893 CA TRP A 123) 9.87983557 +0 -8.64668735 +0 -8.83548623 +0 C(ATOM 1894 C TRP A 123) 9.39459878 +0 -9.89934249 +0 -8.08959416 +0 O(ATOM 1895 O TRP A 123) 9.15919237 +0 -9.84191408 +0 -6.88892690 +0 C(ATOM 1896 CB TRP A 123) 8.67441365 +0 -7.71285147 +0 -9.07168618 +0 C(ATOM 1897 CG TRP A 123) 7.70229339 +0 -8.25754147 +0 -10.03469842 +0 C(ATOM 1898 CD1 TRP A 123) 7.66953552 +0 -8.01285646 +0 -11.40355023 +0 N(ATOM 1899 NE1 TRP A 123) 6.61891405 +1 -8.71630250 +1 -11.98004390 +1 C(ATOM 1900 CD2 TRP A 123) 6.60371889 +0 -9.13069643 +0 -9.73178045 +0 C(ATOM 1901 CE2 TRP A 123) 5.93602129 +1 -9.39222050 +1 -10.97233566 +1 C(ATOM 1902 CE3 TRP A 123) 6.11554339 +0 -9.71950464 +0 -8.55885881 +0 C(ATOM 1903 CZ2 TRP A 123) 4.79605985 +1 -10.20567016 +1 -11.04522314 +1 C(ATOM 1904 CZ3 TRP A 123) 4.99648885 +0 -10.52508496 +0 -8.63738019 +0 C(ATOM 1905 CH2 TRP A 123) 4.34196889 +1 -10.76241052 +1 -9.86729923 +1 H(ATOM 1906 H TRP A 123) 10.02597082 +0 -9.08369066 +0 -10.92856712 +0 H(ATOM 1907 HA TRP A 123) 10.60500138 +0 -8.12816723 +0 -8.13166947 +0 H(ATOM 1908 1HB TRP A 123) 9.04800144 +0 -6.71952125 +0 -9.40274156 +0 H(ATOM 1909 2HB TRP A 123) 8.17886403 +0 -7.52586121 +0 -8.08707174 +0 H(ATOM 1910 HD1 TRP A 123) 8.32816227 +0 -7.40995448 +0 -12.00629717 +0 H(ATOM 1911 HE1 TRP A 123) 6.34152107 +1 -8.67801539 +1 -12.94888130 +1 H(ATOM 1912 HE3 TRP A 123) 6.62404635 +0 -9.53687270 +0 -7.61231393 +0 H(ATOM 1913 HZ2 TRP A 123) 4.28355728 +1 -10.36877645 +1 -11.99263241 +1 H(ATOM 1914 HZ3 TRP A 123) 4.60611841 +0 -11.00069460 +0 -7.74070444 +0 H(ATOM 1915 HH2 TRP A 123) 3.45644203 +1 -11.39625960 +1 -9.87409946 +1 N(ATOM 1916 N PHE A 124) 9.20765185 +0 -11.05431639 +0 -8.78958306 +0 C(ATOM 1917 CA PHE A 124) 8.75258448 +0 -12.26772618 +0 -8.11015834 +0 C(ATOM 1918 C PHE A 124) 9.65913126 +0 -12.61501199 +0 -6.92146533 +0 O(ATOM 1919 O PHE A 124) 9.16050874 +0 -12.91276902 +0 -5.84195313 +0 C(ATOM 1920 CB PHE A 124) 8.71448212 +0 -13.45730206 +0 -9.08624208 +0 C(ATOM 1921 CG PHE A 124) 7.47981113 +0 -14.27175110 +0 -8.87462175 +0 C(ATOM 1922 CD1 PHE A 124) 6.27258835 +0 -13.85536720 +0 -9.43946598 +0 C(ATOM 1923 CD2 PHE A 124) 7.53517310 +0 -15.44754252 +0 -8.12666321 +0 C(ATOM 1924 CE1 PHE A 124) 5.12666255 +0 -14.62626455 +0 -9.26805253 +0 C(ATOM 1925 CE2 PHE A 124) 6.38508456 +0 -16.21538296 +0 -7.95586886 +0 C(ATOM 1926 CZ PHE A 124) 5.18202379 +0 -15.80695303 +0 -8.52799085 +0 H(ATOM 1927 H PHE A 124) 9.49244377 +0 -11.14566069 +0 -9.76348870 +0 H(ATOM 1928 HA PHE A 124) 7.72143681 +0 -12.06715518 +0 -7.68742559 +0 H(ATOM 1929 1HB PHE A 124) 9.62825819 +0 -14.08284986 +0 -8.98655290 +0 H(ATOM 1930 2HB PHE A 124) 8.74856322 +0 -13.08811319 +0 -10.14004748 +0 H(ATOM 1931 HD1 PHE A 124) 6.22220776 +1 -12.92244563 +1 -10.00180674 +1 H(ATOM 1932 HD2 PHE A 124) 8.47459831 +0 -15.76052188 +0 -7.66960951 +0 H(ATOM 1933 HE1 PHE A 124) 4.18544656 +1 -14.30435831 +1 -9.71119986 +1 H(ATOM 1934 HE2 PHE A 124) 6.43195219 +0 -17.13620289 +0 -7.37626053 +0 H(ATOM 1935 HZ PHE A 124) 4.28480647 +0 -16.40776651 +0 -8.39671665 +0 N(ATOM 1936 N PRO A 125) 11.01328956 +0 -12.54575553 +0 -7.02612638 +0 C(ATOM 1937 CA PRO A 125) 11.85480697 +0 -12.87136800 +0 -5.86043108 +0 C(ATOM 1938 C PRO A 125) 11.47947214 +0 -12.04778842 +0 -4.62373775 +0 O(ATOM 1939 O PRO A 125) 11.57117158 +0 -12.56049148 +0 -3.51695413 +0 C(ATOM 1940 CD PRO A 125) 11.82835026 +0 -12.38698374 +0 -8.25028268 +0 C(ATOM 1941 CB PRO A 125) 13.29347836 +0 -12.56467067 +0 -6.32173124 +0 C(ATOM 1942 CG PRO A 125) 13.24660717 +0 -12.81964506 +0 -7.83668595 +0 H(ATOM 1943 HA PRO A 125) 11.72765998 +0 -13.95984243 +0 -5.60109974 +0 H(ATOM 1944 1HD PRO A 125) 11.82172973 +0 -11.31972745 +0 -8.56974165 +0 H(ATOM 1945 2HD PRO A 125) 11.42904013 +0 -12.99359127 +0 -9.08727994 +0 H(ATOM 1946 1HB PRO A 125) 14.04248022 +0 -13.19160403 +0 -5.81279550 +0 H(ATOM 1947 2HB PRO A 125) 13.57188631 +0 -11.51368786 +0 -6.11097451 +0 H(ATOM 1948 1HG PRO A 125) 14.02134977 +0 -12.25240770 +0 -8.38096917 +0 H(ATOM 1949 2HG PRO A 125) 13.42422610 +0 -13.88613996 +0 -8.06507618 +0 N(ATOM 1950 N LEU A 126) 11.11518662 +0 -10.74208705 +0 -4.79775647 +0 C(ATOM 1951 CA LEU A 126) 10.73039624 +0 -9.90620035 +0 -3.65582494 +0 C(ATOM 1952 C LEU A 126) 9.40044725 +0 -10.41887412 +0 -3.05953162 +0 O(ATOM 1953 O LEU A 126) 9.22977807 +0 -10.57978353 +0 -1.86069641 +0 C(ATOM 1954 CB LEU A 126) 10.53577762 +0 -8.43775919 +0 -4.06911108 +0 C(ATOM 1955 CG LEU A 126) 11.76976386 +0 -7.79319810 +0 -4.73206464 +0 C(ATOM 1956 CD1 LEU A 126) 11.42899343 +0 -6.34157633 +0 -5.10657556 +0 C(ATOM 1957 CD2 LEU A 126) 12.99535875 +0 -7.83229120 +0 -3.81911856 +0 H(ATOM 1958 H LEU A 126) 10.88443126 +0 -10.39638148 +0 -5.73017577 +0 H(ATOM 1959 HA LEU A 126) 11.52735957 +0 -9.99590948 +0 -2.86132185 +0 H(ATOM 1960 1HB LEU A 126) 9.67160448 +0 -8.35199013 +0 -4.76410368 +0 H(ATOM 1961 2HB LEU A 126) 10.25420330 +0 -7.85579938 +0 -3.16738557 +0 H(ATOM 1962 HG LEU A 126) 12.00955170 +0 -8.34813843 +0 -5.67221164 +0 H(ATOM 1963 1HD1 LEU A 126) 10.56166876 +0 -6.28955461 +0 -5.77257705 +0 H(ATOM 1964 2HD1 LEU A 126) 11.21109630 +0 -5.73375506 +0 -4.22349788 +0 H(ATOM 1965 3HD1 LEU A 126) 12.26812317 +0 -5.85933494 +0 -5.62648783 +0 H(ATOM 1966 1HD2 LEU A 126) 13.31358854 +0 -8.86185511 +0 -3.60654241 +0 H(ATOM 1967 2HD2 LEU A 126) 13.85321777 +0 -7.33182582 +0 -4.28431317 +0 H(ATOM 1968 3HD2 LEU A 126) 12.82067977 +0 -7.33720115 +0 -2.85826615 +0 N(ATOM 1969 N LEU A 127) 8.41069399 +0 -10.75059592 +0 -3.94216362 +0 C(ATOM 1970 CA LEU A 127) 7.17104221 +0 -11.38664814 +0 -3.47101613 +0 C(ATOM 1971 C LEU A 127) 7.50831149 +0 -12.61283676 +0 -2.60183056 +0 O(ATOM 1972 O LEU A 127) 6.99013351 +0 -12.80401658 +0 -1.50661991 +0 C(ATOM 1973 CB LEU A 127) 6.35059326 +0 -11.78838805 +0 -4.70755052 +0 C(ATOM 1974 CG LEU A 127) 5.02735969 +0 -12.51820335 +0 -4.40258843 +0 C(ATOM 1975 CD1 LEU A 127) 3.83603632 +0 -11.68038680 +0 -4.88399144 +0 C(ATOM 1976 CD2 LEU A 127) 5.00348611 +0 -13.87693593 +0 -5.11679153 +0 H(ATOM 1977 H LEU A 127) 8.57719235 +0 -10.72709642 +0 -4.95052419 +0 H(ATOM 1978 HA LEU A 127) 6.60896480 +0 -10.65638016 +0 -2.81922311 +0 H(ATOM 1979 1HB LEU A 127) 6.14925141 +0 -10.87247560 +0 -5.30093168 +0 H(ATOM 1980 2HB LEU A 127) 6.98149294 +0 -12.42464929 +0 -5.36918807 +0 H(ATOM 1981 HG LEU A 127) 4.93297749 +0 -12.68797341 +0 -3.30173980 +0 H(ATOM 1982 1HD1 LEU A 127) 3.70375080 +0 -10.78420672 +0 -4.26730678 +0 H(ATOM 1983 2HD1 LEU A 127) 3.95369325 +0 -11.36264802 +0 -5.92455053 +0 H(ATOM 1984 3HD1 LEU A 127) 2.90067425 +0 -12.25199339 +0 -4.83736396 +0 H(ATOM 1985 1HD2 LEU A 127) 5.84118509 +0 -14.51033082 +0 -4.80485481 +0 H(ATOM 1986 2HD2 LEU A 127) 4.07781993 +0 -14.42198802 +0 -4.90511860 +0 H(ATOM 1987 3HD2 LEU A 127) 5.07450750 +0 -13.75608441 +0 -6.20468925 +0 N(ATOM 1988 N LEU A 128) 8.39929373 +0 -13.52077140 +0 -3.09458510 +0 C(ATOM 1989 CA LEU A 128) 8.74038750 +0 -14.71918844 +0 -2.33079664 +0 C(ATOM 1990 C LEU A 128) 9.52649180 +0 -14.38266220 +0 -1.04694013 +0 O(ATOM 1991 O LEU A 128) 9.43251161 +0 -15.10477022 +0 -0.05430308 +0 C(ATOM 1992 CB LEU A 128) 9.64836637 +0 -15.64178219 +0 -3.15192677 +0 C(ATOM 1993 CG LEU A 128) 8.98103744 +0 -16.24048545 +0 -4.40311120 +0 C(ATOM 1994 CD1 LEU A 128) 10.03011854 +0 -17.13007072 +0 -5.07915099 +0 C(ATOM 1995 CD2 LEU A 128) 7.71762367 +0 -17.03796354 +0 -4.06303947 +0 H(ATOM 1996 H LEU A 128) 8.88302065 +0 -13.36937287 +0 -3.98053444 +0 H(ATOM 1997 HA LEU A 128) 7.78900598 +0 -15.24174127 +0 -2.01816649 +0 H(ATOM 1998 1HB LEU A 128) 10.01822000 +0 -16.46270018 +0 -2.50554722 +0 H(ATOM 1999 2HB LEU A 128) 10.55299197 +0 -15.07646409 +0 -3.47130993 +0 H(ATOM 2000 HG LEU A 128) 8.70181105 +0 -15.41180692 +0 -5.10213857 +0 H(ATOM 2001 1HD1 LEU A 128) 11.03424084 +0 -16.68581463 +0 -5.04535188 +0 H(ATOM 2002 2HD1 LEU A 128) 10.09960996 +0 -18.11750416 +0 -4.61248183 +0 H(ATOM 2003 3HD1 LEU A 128) 9.81970145 +0 -17.27617175 +0 -6.14257063 +0 H(ATOM 2004 1HD2 LEU A 128) 6.90657700 +0 -16.38416091 +0 -3.71901213 +0 H(ATOM 2005 2HD2 LEU A 128) 7.34637043 +0 -17.57613754 +0 -4.94251333 +0 H(ATOM 2006 3HD2 LEU A 128) 7.90212161 +0 -17.77852640 +0 -3.27601418 +0 N(ATOM 2007 N GLN A 129) 10.31921447 +0 -13.28028130 +0 -1.05547090 +0 C(ATOM 2008 CA GLN A 129) 11.07337947 +0 -12.85520879 +0 0.12617620 +0 C(ATOM 2009 C GLN A 129) 10.18293036 +0 -12.01245010 +0 1.06654078 +0 O(ATOM 2010 O GLN A 129) 10.63390776 +0 -11.55770531 +0 2.11126724 +0 C(ATOM 2011 CB GLN A 129) 12.29558976 +0 -12.02557631 +0 -0.30364285 +0 C(ATOM 2012 CG GLN A 129) 13.29064943 +0 -12.89819237 +0 -1.07179778 +0 C(ATOM 2013 CD GLN A 129) 14.10696205 +0 -12.10486205 +0 -2.05593758 +0 O(ATOM 2014 OE1 GLN A 129) 14.27991190 +0 -10.88355047 +0 -1.99070373 +0 N(ATOM 2015 NE2 GLN A 129) 14.67654057 +0 -12.78531465 +0 -3.09857956 +0 H(ATOM 2016 H GLN A 129) 10.48250577 +0 -12.73794303 +0 -1.91322359 +0 H(ATOM 2017 HA GLN A 129) 11.40594286 +0 -13.75853051 +0 0.71296106 +0 H(ATOM 2018 1HB GLN A 129) 11.97669238 +0 -11.16004893 +0 -0.92522276 +0 H(ATOM 2019 2HB GLN A 129) 12.78001060 +0 -11.57345570 +0 0.59031104 +0 H(ATOM 2020 1HG GLN A 129) 12.75747935 +0 -13.71679938 +0 -1.61245231 +0 H(ATOM 2021 2HG GLN A 129) 13.97431188 +0 -13.42758108 +0 -0.36685624 +0 H(ATOM 2022 1HE2 GLN A 129) 14.69571767 +0 -13.78634125 +0 -3.13758181 +0 H(ATOM 2023 2HE2 GLN A 129) 15.31009712 +0 -12.31825029 +0 -3.72958757 +0 N(ATOM 2024 N LYS A 130) 8.88767017 +0 -11.81407209 +0 0.69876293 +0 C(ATOM 2025 CA LYS A 130) 7.90591060 +0 -11.18476455 +0 1.57678473 +0 C(ATOM 2026 C LYS A 130) 8.25337853 +0 -9.68932176 +0 1.77082561 +0 O(ATOM 2027 O LYS A 130) 8.02171038 +0 -9.10006022 +0 2.81279099 +0 C(ATOM 2028 CB LYS A 130) 7.78204843 +0 -11.86659796 +0 2.95316746 +0 C(ATOM 2029 CG LYS A 130) 7.85095334 +0 -13.40125874 +0 2.92303587 +0 C(ATOM 2030 CD LYS A 130) 6.48243742 +0 -14.09305513 +0 2.98544000 +0 C(ATOM 2031 CE LYS A 130) 6.54848416 +0 -15.42689409 +0 3.75918158 +0 N(ATOM 2032 NZ LYS A 130) 6.81971473 +0 -15.26716295 +0 5.20887791 +0 H(ATOM 2033 H LYS A 130) 8.53950632 +0 -12.13046112 +0 -0.20781213 +0 H(ATOM 2034 HA LYS A 130) 6.90610814 +0 -11.22579952 +0 1.04970196 +0 H(ATOM 2035 1HB LYS A 130) 8.59018923 +0 -11.48240510 +0 3.61456143 +0 H(ATOM 2036 2HB LYS A 130) 6.83897671 +0 -11.52503035 +0 3.42568675 +0 H(ATOM 2037 1HG LYS A 130) 8.48127352 +0 -13.72783840 +0 3.77631183 +0 H(ATOM 2038 2HG LYS A 130) 8.39296753 +0 -13.76258017 +0 2.02657107 +0 H(ATOM 2039 1HD LYS A 130) 6.11422551 +0 -14.29123299 +0 1.95854561 +0 H(ATOM 2040 2HD LYS A 130) 5.72888107 +0 -13.43621219 +0 3.45852928 +0 H(ATOM 2041 1HE LYS A 130) 5.58632815 +0 -15.97384629 +0 3.64754596 +0 H(ATOM 2042 2HE LYS A 130) 7.33614690 +0 -16.08504402 +0 3.33091317 +0 H(ATOM 2043 1HZ LYS A 130) 7.68214796 +0 -14.74632585 +0 5.34908327 +0 H(ATOM 2044 2HZ LYS A 130) 6.08550733 +0 -14.72547891 +0 5.65417629 +0 N(ATOM 2045 N LYS A 131) 8.72139678 +0 -9.03750901 +0 0.66190626 +0 C(ATOM 2046 CA LYS A 131) 9.07186287 +0 -7.62149601 +0 0.69488867 +0 C(ATOM 2047 C LYS A 131) 8.03053285 +0 -6.92007976 +0 -0.20057857 +0 O(ATOM 2048 O LYS A 131) 7.63426024 +0 -7.40996617 +0 -1.24210914 +0 C(ATOM 2049 CB LYS A 131) 10.45888637 +0 -7.35373772 +0 0.07917986 +0 C(ATOM 2050 CG LYS A 131) 11.57834051 +0 -8.16721549 +0 0.73271707 +0 C(ATOM 2051 CD LYS A 131) 11.82311898 +0 -7.82083479 +0 2.20639094 +0 C(ATOM 2052 CE LYS A 131) 13.06662035 +0 -8.58370314 +0 2.70540104 +0 N(ATOM 2053 NZ LYS A 131) 12.87810456 +0 -9.03871636 +0 4.10942746 +0 H(ATOM 2054 H LYS A 131) 8.99168481 +0 -9.54054405 +0 -0.18749391 +0 H(ATOM 2055 HA LYS A 131) 9.03288137 +0 -7.23208468 +0 1.74931377 +0 H(ATOM 2056 1HB LYS A 131) 10.43170630 +0 -7.59369436 +0 -1.00608847 +0 H(ATOM 2057 2HB LYS A 131) 10.68006462 +0 -6.27145177 +0 0.14608585 +0 H(ATOM 2058 1HG LYS A 131) 12.51403543 +0 -8.01482387 +0 0.15451486 +0 H(ATOM 2059 2HG LYS A 131) 11.35254423 +0 -9.25204639 +0 0.65193058 +0 H(ATOM 2060 1HD LYS A 131) 11.95727340 +0 -6.73380828 +0 2.34248177 +0 H(ATOM 2061 2HD LYS A 131) 10.93541336 +0 -8.08661615 +0 2.81361658 +0 H(ATOM 2062 1HE LYS A 131) 13.27979103 +0 -9.44835752 +0 2.03255658 +0 H(ATOM 2063 2HE LYS A 131) 13.96212307 +0 -7.92980554 +0 2.66389572 +0 H(ATOM 2064 1HZ LYS A 131) 12.16289144 +0 -9.75706906 +0 4.14001631 +0 H(ATOM 2065 2HZ LYS A 131) 13.73456326 +0 -9.46533059 +0 4.45500579 +0 N(ATOM 2066 N LYS A 132) 7.51324355 +0 -5.73892510 +0 0.27481244 +0 C(ATOM 2067 CA LYS A 132) 6.55001076 +0 -5.01771583 +0 -0.55767439 +0 C(ATOM 2068 C LYS A 132) 7.35169962 +0 -4.22181023 +0 -1.59943889 +0 O(ATOM 2069 O LYS A 132) 8.47981844 +0 -3.81190050 +0 -1.36088213 +0 C(ATOM 2070 CB LYS A 132) 5.73733539 +0 -4.02795275 +0 0.29416214 +0 C(ATOM 2071 CG LYS A 132) 4.84544819 +0 -4.77121632 +0 1.29553103 +0 C(ATOM 2072 CD LYS A 132) 4.34240530 +0 -3.82930883 +0 2.39596192 +0 C(ATOM 2073 CE LYS A 132) 3.74950328 +0 -4.62650794 +0 3.57816530 +0 N(ATOM 2074 NZ LYS A 132) 2.48638251 +0 -3.98364646 +0 4.02276258 +0 H(ATOM 2075 H LYS A 132) 8.00404103 +0 -5.17862993 +0 0.97563232 +0 H(ATOM 2076 HA LYS A 132) 5.86473835 +0 -5.75908356 +0 -1.06853225 +0 H(ATOM 2077 1HB LYS A 132) 5.12124658 +0 -3.38594320 +0 -0.36479919 +0 H(ATOM 2078 2HB LYS A 132) 6.42141036 +0 -3.33503795 +0 0.83172839 +0 H(ATOM 2079 1HG LYS A 132) 3.98591142 +0 -5.22884392 +0 0.76874847 +0 H(ATOM 2080 2HG LYS A 132) 5.41656335 +0 -5.60460827 +0 1.75062049 +0 H(ATOM 2081 1HD LYS A 132) 3.59280749 +0 -3.12524731 +0 1.98794599 +0 H(ATOM 2082 2HD LYS A 132) 5.16261420 +0 -3.18325796 +0 2.76673984 +0 H(ATOM 2083 1HE LYS A 132) 3.58186089 +0 -5.68644079 +0 3.29418875 +0 H(ATOM 2084 2HE LYS A 132) 4.47570585 +0 -4.64461380 +0 4.41914801 +0 H(ATOM 2085 1HZ LYS A 132) 1.68269594 +0 -4.46561452 +0 3.63214508 +0 H(ATOM 2086 2HZ LYS A 132) 2.39002238 +0 -4.02360123 +0 5.03031093 +0 N(ATOM 2087 N PHE A 133) 6.76516767 +0 -3.99439306 +0 -2.81686346 +0 C(ATOM 2088 CA PHE A 133) 7.57652360 +0 -3.41647111 +0 -3.88176506 +0 C(ATOM 2089 C PHE A 133) 6.70198938 +0 -2.54340551 +0 -4.78597731 +0 O(ATOM 2090 O PHE A 133) 5.50082217 +0 -2.69933935 +0 -4.92102141 +0 C(ATOM 2091 CB PHE A 133) 8.25235970 +0 -4.50412667 +0 -4.75107847 +0 C(ATOM 2092 CG PHE A 133) 7.25268063 +0 -5.42807443 +0 -5.37041706 +0 C(ATOM 2093 CD1 PHE A 133) 6.66418634 +0 -5.10804729 +0 -6.59595232 +0 C(ATOM 2094 CD2 PHE A 133) 6.89546610 +0 -6.60682141 +0 -4.71250776 +0 C(ATOM 2095 CE1 PHE A 133) 5.71934477 +0 -5.96356902 +0 -7.15546697 +0 C(ATOM 2096 CE2 PHE A 133) 5.94564280 +0 -7.45665689 +0 -5.27400620 +0 C(ATOM 2097 CZ PHE A 133) 5.35616880 +0 -7.13580336 +0 -6.49544266 +0 H(ATOM 2098 H PHE A 133) 5.87916382 +0 -4.43485858 +0 -3.07415352 +0 H(ATOM 2099 HA PHE A 133) 8.39379859 +0 -2.77886062 +0 -3.41910933 +0 H(ATOM 2100 1HB PHE A 133) 8.89120491 +0 -4.01860913 +0 -5.51948400 +0 H(ATOM 2101 2HB PHE A 133) 8.96649094 +0 -5.06923869 +0 -4.11021415 +0 H(ATOM 2102 HD1 PHE A 133) 6.93155856 +0 -4.18654443 +0 -7.10813032 +0 H(ATOM 2103 HD2 PHE A 133) 7.34932803 +0 -6.86170762 +0 -3.75078454 +0 H(ATOM 2104 HE1 PHE A 133) 5.27037149 +0 -5.71818171 +0 -8.11646340 +0 H(ATOM 2105 HE2 PHE A 133) 5.66879727 +0 -8.37082399 +0 -4.75061151 +0 H(ATOM 2106 HZ PHE A 133) 4.62594639 +0 -7.80578925 +0 -6.94415765 +0 N(ATOM 2107 N HIS A 134) 7.39382602 +0 -1.55843544 +0 -5.44934808 +0 C(ATOM 2108 CA HIS A 134) 6.78322392 +0 -0.80729486 +0 -6.53450637 +0 C(ATOM 2109 C HIS A 134) 7.68937989 +0 -0.97140902 +0 -7.77242962 +0 O(ATOM 2110 O HIS A 134) 8.88923768 +0 -0.68520329 +0 -7.74368684 +0 C(ATOM 2111 CB HIS A 134) 6.74064628 +0 0.70420420 +0 -6.24877204 +0 C(ATOM 2112 CG HIS A 134) 5.62484786 +0 1.09922769 +0 -5.37100126 +0 N(ATOM 2113 ND1 HIS A 134) 5.42215522 +0 2.45567406 +0 -5.07314698 +0 C(ATOM 2114 CD2 HIS A 134) 4.60210907 +0 0.39664885 +0 -4.74012415 +0 N(ATOM 2115 NE2 HIS A 134) 3.79922162 +0 1.32560177 +0 -4.07959477 +0 C(ATOM 2116 CE1 HIS A 134) 4.30288635 +0 2.57184585 +0 -4.28881328 +0 H(ATOM 2117 H HIS A 134) 8.40694534 +0 -1.45744336 +0 -5.34436850 +0 H(ATOM 2118 HA HIS A 134) 5.73483745 +0 -1.19285215 +0 -6.73795552 +0 H(ATOM 2119 1HB HIS A 134) 6.64842383 +0 1.25395297 +0 -7.22574447 +0 H(ATOM 2120 2HB HIS A 134) 7.71720750 +0 1.03191324 +0 -5.81903343 +0 H(ATOM 2121 HD1 HIS A 134) 6.03768961 +0 3.19913805 +0 -5.37016294 +0 H(ATOM 2122 HD2 HIS A 134) 4.41339575 +0 -0.66536006 +0 -4.70183976 +0 H(ATOM 2123 HE2 HIS A 134) 2.87088648 +0 1.11254579 +0 -3.55878837 +0 H(ATOM 2124 HE1 HIS A 134) 3.89801690 +0 3.51110921 +0 -3.90439415 +0 N(ATOM 2125 N GLY A 135) 7.10972123 +0 -1.48998887 +0 -8.87718925 +0 C(ATOM 2126 CA GLY A 135) 7.88199463 +0 -1.67008439 +0 -10.09578305 +0 C(ATOM 2127 C GLY A 135) 7.25595869 +0 -0.86750870 +0 -11.23052252 +0 O(ATOM 2128 O GLY A 135) 6.07255983 +0 -0.54265096 +0 -11.21802517 +0 H(ATOM 2129 H GLY A 135) 6.09188417 +0 -1.65866478 +0 -8.93617831 +0 H(ATOM 2130 1HA GLY A 135) 7.89141526 +0 -2.75451730 +0 -10.37768159 +0 H(ATOM 2131 2HA GLY A 135) 8.95912230 +0 -1.38751398 +0 -9.94639328 +0 N(ATOM 2132 N TYR A 136) 8.05950291 +0 -0.64969797 +0 -12.29839526 +0 C(ATOM 2133 CA TYR A 136) 7.56555213 +0 0.02565151 +0 -13.50083562 +0 C(ATOM 2134 C TYR A 136) 8.34321021 +0 -0.64430952 +0 -14.64328542 +0 O(ATOM 2135 O TYR A 136) 9.56318122 +0 -0.73162329 +0 -14.61042034 +0 C(ATOM 2136 CB TYR A 136) 7.87741487 +0 1.53572125 +0 -13.49478283 +0 C(ATOM 2137 CG TYR A 136) 7.82463617 +0 2.09779494 +0 -14.88118010 +0 C(ATOM 2138 CD1 TYR A 136) 6.60140492 +0 2.26897952 +0 -15.53316864 +0 C(ATOM 2139 CD2 TYR A 136) 9.01571642 +0 2.43626921 +0 -15.53615986 +0 C(ATOM 2140 CE1 TYR A 136) 6.55293183 +0 2.77097465 +0 -16.83199279 +0 C(ATOM 2141 CE2 TYR A 136) 8.99530917 +0 2.92970227 +0 -16.83388688 +0 C(ATOM 2142 CZ TYR A 136) 7.75589582 +0 3.07267689 +0 -17.46839816 +0 O(ATOM 2143 OH TYR A 136) 7.81960288 +0 3.48548168 +0 -18.76090045 +0 H(ATOM 2144 H TYR A 136) 9.07888192 +0 -0.80154017 +0 -12.25462212 +0 H(ATOM 2145 HA TYR A 136) 6.45140279 +0 -0.13217698 +0 -13.60250962 +0 H(ATOM 2146 1HB TYR A 136) 8.87630433 +0 1.71246618 +0 -13.03060204 +0 H(ATOM 2147 2HB TYR A 136) 7.15998206 +0 2.05261654 +0 -12.82282660 +0 H(ATOM 2148 HD1 TYR A 136) 5.67264406 +0 1.98318034 +0 -15.03226240 +0 H(ATOM 2149 HD2 TYR A 136) 9.97161053 +0 2.30376307 +0 -15.02424049 +0 H(ATOM 2150 HE1 TYR A 136) 5.60241581 +0 2.91524572 +0 -17.33553025 +0 H(ATOM 2151 HE2 TYR A 136) 9.91364287 +0 3.20684199 +0 -17.34914552 +0 H(ATOM 2152 HH TYR A 136) 6.94781811 +0 3.69888778 +0 -19.18298614 +0 N(ATOM 2153 N PHE A 137) 7.61312560 +0 -1.17590154 +0 -15.65973363 +0 C(ATOM 2154 CA PHE A 137) 8.29869876 +0 -1.81736766 +0 -16.77663141 +0 C(ATOM 2155 C PHE A 137) 7.67982970 +0 -1.22786215 +0 -18.05637165 +0 O(ATOM 2156 O PHE A 137) 6.47144241 +0 -1.17479975 +0 -18.21850545 +0 C(ATOM 2157 CB PHE A 137) 8.08103571 +0 -3.34643006 +0 -16.78774950 +0 C(ATOM 2158 CG PHE A 137) 8.70651697 +0 -3.97780384 +0 -15.58181105 +0 C(ATOM 2159 CD1 PHE A 137) 8.00261683 +0 -4.01929288 +0 -14.37529981 +0 C(ATOM 2160 CD2 PHE A 137) 9.99511700 +0 -4.51103321 +0 -15.64415192 +0 C(ATOM 2161 CE1 PHE A 137) 8.58579188 +0 -4.57468971 +0 -13.23910451 +0 C(ATOM 2162 CE2 PHE A 137) 10.58377566 +0 -5.05239122 +0 -14.50221358 +0 C(ATOM 2163 CZ PHE A 137) 9.88059303 +0 -5.08814249 +0 -13.29947199 +0 H(ATOM 2164 H PHE A 137) 6.59813293 +0 -1.05368713 +0 -15.72514652 +0 H(ATOM 2165 HA PHE A 137) 9.40923540 +0 -1.60029959 +0 -16.72114073 +0 H(ATOM 2166 1HB PHE A 137) 8.50486067 +0 -3.76381558 +0 -17.72626325 +0 H(ATOM 2167 2HB PHE A 137) 6.98997765 +0 -3.56351350 +0 -16.82579651 +0 H(ATOM 2168 HD1 PHE A 137) 6.99638419 +0 -3.60362707 +0 -14.32346760 +0 H(ATOM 2169 HD2 PHE A 137) 10.55032619 +0 -4.49080447 +0 -16.58110803 +0 H(ATOM 2170 HE1 PHE A 137) 8.03116472 +0 -4.60377170 +0 -12.30383227 +0 H(ATOM 2171 HE2 PHE A 137) 11.60303995 +0 -5.43735943 +0 -14.54465450 +0 H(ATOM 2172 HZ PHE A 137) 10.34490216 +0 -5.50674861 +0 -12.40992040 +0 N(ATOM 2173 N LYS A 138) 8.56846963 +0 -0.75585785 +0 -18.97240049 +0 C(ATOM 2174 CA LYS A 138) 8.13335888 +0 -0.27215452 +0 -20.28044550 +0 C(ATOM 2175 C LYS A 138) 8.49496006 +0 -1.38501020 +0 -21.28257783 +0 O(ATOM 2176 O LYS A 138) 9.65856971 +0 -1.72963233 +0 -21.42306032 +0 C(ATOM 2177 CB LYS A 138) 8.93034754 +0 0.98936587 +0 -20.63572353 +0 C(ATOM 2178 CG LYS A 138) 8.77919833 +0 1.40399969 +0 -22.10209864 +0 C(ATOM 2179 CD LYS A 138) 9.51440034 +0 2.73489015 +0 -22.28872205 +0 C(ATOM 2180 CE LYS A 138) 9.48345388 +0 3.21022278 +0 -23.73993237 +0 N(ATOM 2181 NZ LYS A 138) 10.42759584 +0 4.38393823 +0 -23.90147973 +0 H(ATOM 2182 H LYS A 138) 9.58443624 +0 -0.81171695 +0 -18.84278071 +0 H(ATOM 2183 HA LYS A 138) 7.02631656 +0 -0.06657298 +0 -20.27697859 +0 H(ATOM 2184 1HB LYS A 138) 10.00708307 +0 0.82652866 +0 -20.41046888 +0 H(ATOM 2185 2HB LYS A 138) 8.60792957 +0 1.81597028 +0 -19.96733006 +0 H(ATOM 2186 1HG LYS A 138) 9.19637508 +0 0.62532626 +0 -22.77162167 +0 H(ATOM 2187 2HG LYS A 138) 7.71277089 +0 1.49734029 +0 -22.37963803 +0 H(ATOM 2188 1HD LYS A 138) 9.05497735 +0 3.50350911 +0 -21.62623926 +0 H(ATOM 2189 2HD LYS A 138) 10.56894820 +0 2.63325078 +0 -21.93844697 +0 H(ATOM 2190 1HE LYS A 138) 9.79145919 +0 2.40796177 +0 -24.44810088 +0 H(ATOM 2191 2HE LYS A 138) 8.45740019 +0 3.52237718 +0 -24.03994381 +0 H(ATOM 2192 1HZ LYS A 138) 11.42470697 +0 4.07804341 +0 -23.77337477 +0 H(ATOM 2193 2HZ LYS A 138) 10.31620187 +0 4.82059426 +0 -24.83569707 +0 H(ATOM 2194 3HZ LYS A 138) 10.23466468 +0 5.10404456 +0 -23.18654029 +0 N(ATOM 2195 N PHE A 139) 7.44580172 +0 -1.96052252 +0 -21.92318933 +0 C(ATOM 2196 CA PHE A 139) 7.60971082 +0 -3.05638924 +0 -22.86317022 +0 C(ATOM 2197 C PHE A 139) 7.45095284 +0 -2.50943067 +0 -24.29346955 +0 O(ATOM 2198 O PHE A 139) 6.63639626 +0 -1.65570657 +0 -24.59080581 +0 C(ATOM 2199 CB PHE A 139) 6.46708654 +0 -4.07785020 +0 -22.69385301 +0 C(ATOM 2200 CG PHE A 139) 6.77672819 +0 -5.11020643 +0 -21.66059026 +0 C(ATOM 2201 CD1 PHE A 139) 6.56997256 +0 -4.84609332 +0 -20.30559342 +0 C(ATOM 2202 CD2 PHE A 139) 7.22252252 +0 -6.37005055 +0 -22.06629709 +0 C(ATOM 2203 CE1 PHE A 139) 6.80871452 +1 -5.84491672 +1 -19.36451717 +1 C(ATOM 2204 CE2 PHE A 139) 7.44115226 +0 -7.37030955 +0 -21.12305015 +0 C(ATOM 2205 CZ PHE A 139) 7.23231223 +1 -7.10939670 +1 -19.77037005 +1 H(ATOM 2206 H PHE A 139) 6.51446534 +0 -1.53241444 +0 -21.89944212 +0 H(ATOM 2207 HA PHE A 139) 8.61715089 +0 -3.54682994 +0 -22.71681481 +0 H(ATOM 2208 1HB PHE A 139) 6.25034504 +0 -4.57051481 +0 -23.67231342 +0 H(ATOM 2209 2HB PHE A 139) 5.51101875 +0 -3.55775569 +0 -22.45399297 +0 H(ATOM 2210 HD1 PHE A 139) 6.22074638 +0 -3.86272572 +0 -19.99395838 +0 H(ATOM 2211 HD2 PHE A 139) 7.38128355 +0 -6.56889922 +0 -23.12575473 +0 H(ATOM 2212 HE1 PHE A 139) 6.64322043 +1 -5.64675417 +1 -18.30820412 +1 H(ATOM 2213 HE2 PHE A 139) 7.76677976 +0 -8.35442348 +0 -21.45453849 +0 H(ATOM 2214 HZ PHE A 139) 7.38191793 +1 -7.88953772 +1 -19.02584092 +1 N(ATOM 2215 N GLN A 140) 8.26069729 +0 -3.09843787 +0 -25.22791759 +0 C(ATOM 2216 CA GLN A 140) 7.99968245 +0 -2.95189947 +0 -26.65924877 +0 C(ATOM 2217 C GLN A 140) 7.40131501 +0 -4.30354597 +0 -27.09458624 +0 O(ATOM 2218 O GLN A 140) 8.11751742 +0 -5.29142190 +0 -27.17253950 +0 C(ATOM 2219 CB GLN A 140) 9.33834969 +0 -2.71394675 +0 -27.37307448 +0 C(ATOM 2220 CG GLN A 140) 9.20135660 +0 -2.64472368 +0 -28.89208107 +0 C(ATOM 2221 CD GLN A 140) 10.53189418 +0 -2.19496096 +0 -29.44781138 +0 O(ATOM 2222 OE1 GLN A 140) 11.40482228 +0 -2.98392446 +0 -29.79434091 +0 N(ATOM 2223 NE2 GLN A 140) 10.77219398 +0 -0.85158954 +0 -29.50669420 +0 H(ATOM 2224 H GLN A 140) 8.88798367 +0 -3.86747227 +0 -24.96406775 +0 H(ATOM 2225 HA GLN A 140) 7.28912953 +0 -2.10363869 +0 -26.85146057 +0 H(ATOM 2226 1HB GLN A 140) 10.05426069 +0 -3.52545422 +0 -27.10736054 +0 H(ATOM 2227 2HB GLN A 140) 9.78221396 +0 -1.77475864 +0 -26.97717828 +0 H(ATOM 2228 1HG GLN A 140) 8.94070445 +0 -3.64393196 +0 -29.31422910 +0 H(ATOM 2229 2HG GLN A 140) 8.37546735 +0 -1.97849630 +0 -29.21144309 +0 H(ATOM 2230 1HE2 GLN A 140) 11.64691234 +0 -0.48651667 +0 -29.84887199 +0 H(ATOM 2231 2HE2 GLN A 140) 10.07477753 +0 -0.16599027 +0 -29.28806299 +0 N(ATOM 2232 N GLY A 141) 6.06937099 +0 -4.34841974 +0 -27.39577681 +0 C(ATOM 2233 CA GLY A 141) 5.45201772 +0 -5.65963994 +0 -27.58366285 +0 C(ATOM 2234 C GLY A 141) 5.42021342 +0 -6.42439546 +0 -26.26293868 +0 O(ATOM 2235 O GLY A 141) 5.46816987 +0 -5.87342734 +0 -25.18120033 +0 H(ATOM 2236 H GLY A 141) 5.43702796 +0 -3.57840439 +0 -27.15885510 +0 H(ATOM 2237 1HA GLY A 141) 5.99426150 +0 -6.22740741 +0 -28.38094773 +0 H(ATOM 2238 2HA GLY A 141) 4.40372441 +0 -5.52970423 +0 -27.95902320 +0 N(ATOM 2239 N GLN A 142) 5.32402275 +0 -7.79612715 +0 -26.35080842 +0 C(ATOM 2240 CA GLN A 142) 5.10303233 +0 -8.57269840 +0 -25.13423244 +0 C(ATOM 2241 C GLN A 142) 6.39017448 +0 -9.21582975 +0 -24.59613810 +0 O(ATOM 2242 O GLN A 142) 6.36325707 +0 -9.83698567 +0 -23.54007539 +0 C(ATOM 2243 CB GLN A 142) 4.11282636 +0 -9.72390625 +0 -25.38418861 +0 C(ATOM 2244 CG GLN A 142) 2.76914930 +0 -9.20196573 +0 -25.88667334 +0 C(ATOM 2245 CD GLN A 142) 1.66271588 +0 -10.14796678 +0 -25.49861289 +0 O(ATOM 2246 OE1 GLN A 142) 1.82858160 +0 -11.35126767 +0 -25.34107090 +0 N(ATOM 2247 NE2 GLN A 142) 0.41547207 +0 -9.61009058 +0 -25.31649007 +0 H(ATOM 2248 H GLN A 142) 5.24702878 +0 -8.27738238 +0 -27.25008137 +0 H(ATOM 2249 HA GLN A 142) 4.71443473 +0 -7.89287333 +0 -24.31558462 +0 H(ATOM 2250 1HB GLN A 142) 3.96928245 +0 -10.29566291 +0 -24.44099892 +0 H(ATOM 2251 2HB GLN A 142) 4.53411663 +0 -10.45851861 +0 -26.10321556 +0 H(ATOM 2252 1HG GLN A 142) 2.57360404 +0 -8.17261882 +0 -25.51885057 +0 H(ATOM 2253 2HG GLN A 142) 2.77601486 +0 -9.09765668 +0 -26.99775217 +0 H(ATOM 2254 1HE2 GLN A 142) 0.21237812 +0 -8.63999070 +0 -25.47538511 +0 H(ATOM 2255 2HE2 GLN A 142) -0.37445900 +0 -10.19969950 +0 -25.14777862 +0 N(ATOM 2256 N ASP A 143) 7.56236700 +0 -9.05102559 +0 -25.27987842 +0 C(ATOM 2257 CA ASP A 143) 8.72759072 +0 -9.84026603 +0 -24.88410730 +0 C(ATOM 2258 C ASP A 143) 9.89671345 +0 -8.94249508 +0 -24.44145326 +0 O(ATOM 2259 O ASP A 143) 10.81349458 +0 -9.43484640 +0 -23.79034688 +0 C(ATOM 2260 CB ASP A 143) 9.23042415 +0 -10.69358678 +0 -26.05032423 +0 C(ATOM 2261 CG ASP A 143) 8.14524813 +0 -11.66216174 +0 -26.52694723 +0 O(ATOM 2262 OD1 ASP A 143) 7.28331304 +0 -12.04787694 +0 -25.71936524 +0 O(ATOM 2263 OD2 ASP A 143) 8.20721445 +0 -12.04170356 +0 -27.71117347 +0 H(ATOM 2264 H ASP A 143) 7.58086064 +0 -8.63785379 +0 -26.21243783 +0 H(ATOM 2265 HA ASP A 143) 8.45742633 +0 -10.50640270 +0 -24.00932218 +0 H(ATOM 2266 1HB ASP A 143) 10.11981481 +0 -11.28634771 +0 -25.74622974 +0 H(ATOM 2267 2HB ASP A 143) 9.55873209 +0 -10.06632996 +0 -26.90471890 +0 N(ATOM 2268 N THR A 144) 9.91919673 +0 -7.63394954 +0 -24.82801497 +0 C(ATOM 2269 CA THR A 144) 11.12346860 +0 -6.83119552 +0 -24.66693443 +0 C(ATOM 2270 C THR A 144) 10.86549172 +0 -5.73010344 +0 -23.63026331 +0 O(ATOM 2271 O THR A 144) 10.03606023 +0 -4.85356203 +0 -23.81634875 +0 C(ATOM 2272 CB THR A 144) 11.46513593 +0 -6.10617094 +0 -26.00869515 +0 O(ATOM 2273 OG1 THR A 144) 11.57061657 +0 -7.09620504 +0 -27.01184453 +0 C(ATOM 2274 CG2 THR A 144) 12.81539878 +0 -5.41504814 +0 -25.91919772 +0 H(ATOM 2275 H THR A 144) 9.15808968 +0 -7.20354978 +0 -25.34125254 +0 H(ATOM 2276 HA THR A 144) 11.98572672 +0 -7.49394273 +0 -24.36005202 +0 H(ATOM 2277 HB THR A 144) 10.65313748 +0 -5.39587094 +0 -26.29361585 +0 H(ATOM 2278 HG1 THR A 144) 10.66983567 +0 -7.37033867 +0 -27.31092081 +0 H(ATOM 2279 1HG2 THR A 144) 13.11089498 +0 -4.99856718 +0 -26.89277522 +0 H(ATOM 2280 2HG2 THR A 144) 12.79252170 +0 -4.57828606 +0 -25.20761232 +0 H(ATOM 2281 3HG2 THR A 144) 13.62024499 +0 -6.09614013 +0 -25.61036184 +0 N(ATOM 2282 N ILE A 145) 11.66103545 +0 -5.75895441 +0 -22.52733990 +0 C(ATOM 2283 CA ILE A 145) 11.61935848 +0 -4.67382971 +0 -21.55178562 +0 C(ATOM 2284 C ILE A 145) 12.69483181 +0 -3.65731003 +0 -21.98648277 +0 O(ATOM 2285 O ILE A 145) 13.87834556 +0 -3.93564338 +0 -22.07342659 +0 C(ATOM 2286 CB ILE A 145) 11.96067303 +0 -5.19916130 +0 -20.13716220 +0 C(ATOM 2287 CG1 ILE A 145) 10.87038981 +0 -6.18780442 +0 -19.68877399 +0 C(ATOM 2288 CG2 ILE A 145) 12.08909341 +0 -4.02725817 +0 -19.16351880 +0 C(ATOM 2289 CD1 ILE A 145) 11.34298081 +0 -7.01266436 +0 -18.49434614 +0 H(ATOM 2290 H ILE A 145) 12.35607730 +0 -6.50251797 +0 -22.36788861 +0 H(ATOM 2291 HA ILE A 145) 10.59669703 +0 -4.19796905 +0 -21.54520378 +0 H(ATOM 2292 HB ILE A 145) 12.94456100 +0 -5.73398914 +0 -20.18400151 +0 H(ATOM 2293 1HG1 ILE A 145) 9.93468900 +0 -5.64851422 +0 -19.44913891 +0 H(ATOM 2294 2HG1 ILE A 145) 10.60253285 +0 -6.86797054 +0 -20.52349418 +0 H(ATOM 2295 1HG2 ILE A 145) 12.92900114 +0 -3.36990594 +0 -19.42347070 +0 H(ATOM 2296 2HG2 ILE A 145) 11.18860655 +0 -3.40179277 +0 -19.13484853 +0 H(ATOM 2297 3HG2 ILE A 145) 12.27932956 +0 -4.38546598 +0 -18.14425587 +0 H(ATOM 2298 1HD1 ILE A 145) 10.56953904 +0 -7.71579782 +0 -18.17070220 +0 H(ATOM 2299 2HD1 ILE A 145) 12.24165037 +0 -7.59239943 +0 -18.74355224 +0 H(ATOM 2300 3HD1 ILE A 145) 11.59370444 +0 -6.37649633 +0 -17.63756046 +0 N(ATOM 2301 N LEU A 146) 12.21994634 +0 -2.40923821 +0 -22.27556532 +0 C(ATOM 2302 CA LEU A 146) 13.10610505 +0 -1.32854047 +0 -22.69119567 +0 C(ATOM 2303 C LEU A 146) 13.63097154 +0 -0.57758529 +0 -21.44167763 +0 O(ATOM 2304 O LEU A 146) 14.82315596 +0 -0.35626334 +0 -21.30678807 +0 C(ATOM 2305 CB LEU A 146) 12.36169305 +0 -0.31527732 +0 -23.57227156 +0 C(ATOM 2306 CG LEU A 146) 11.83265704 +0 -0.90850495 +0 -24.89224459 +0 C(ATOM 2307 CD1 LEU A 146) 11.09059370 +0 0.20779183 +0 -25.64176942 +0 C(ATOM 2308 CD2 LEU A 146) 12.95544360 +0 -1.46592879 +0 -25.76839291 +0 H(ATOM 2309 H LEU A 146) 11.21971447 +0 -2.20438346 +0 -22.23958712 +0 H(ATOM 2310 HA LEU A 146) 13.99964950 +0 -1.75226002 +0 -23.23594795 +0 H(ATOM 2311 1HB LEU A 146) 11.50818646 +0 0.12028300 +0 -23.01215737 +0 H(ATOM 2312 2HB LEU A 146) 13.03827352 +0 0.53705374 +0 -23.79125046 +0 H(ATOM 2313 HG LEU A 146) 11.11105643 +0 -1.73187335 +0 -24.66331956 +0 H(ATOM 2314 1HD1 LEU A 146) 10.17553557 +0 0.50080744 +0 -25.11957232 +0 H(ATOM 2315 2HD1 LEU A 146) 11.71918586 +0 1.09973478 +0 -25.76048256 +0 H(ATOM 2316 3HD1 LEU A 146) 10.80795393 +0 -0.10060606 +0 -26.65369932 +0 H(ATOM 2317 1HD2 LEU A 146) 13.47593414 +0 -2.30047062 +0 -25.28432101 +0 H(ATOM 2318 2HD2 LEU A 146) 12.56299928 +0 -1.83813151 +0 -26.72201282 +0 H(ATOM 2319 3HD2 LEU A 146) 13.70081108 +0 -0.69832312 +0 -26.00750458 +0 N(ATOM 2320 N ASP A 147) 12.69634519 +0 -0.15835908 +0 -20.53479689 +0 C(ATOM 2321 CA ASP A 147) 13.08500656 +0 0.53733498 +0 -19.31028260 +0 C(ATOM 2322 C ASP A 147) 12.43901189 +0 -0.21073511 +0 -18.12611569 +0 O(ATOM 2323 O ASP A 147) 11.33298427 +0 -0.72500499 +0 -18.23612489 +0 C(ATOM 2324 CB ASP A 147) 12.49551317 +0 1.95573191 +0 -19.21669300 +0 C(ATOM 2325 CG ASP A 147) 12.81389843 +0 2.84755855 +0 -20.40491230 +0 O(ATOM 2326 OD1 ASP A 147) 13.77999725 +0 2.60111719 +0 -21.14567997 +0 O(ATOM 2327 OD2 ASP A 147) 12.05092888 +0 3.82859422 +0 -20.58951088 +0 H(ATOM 2328 H ASP A 147) 11.73245079 +0 -0.48963510 +0 -20.59016760 +0 H(ATOM 2329 HA ASP A 147) 14.20782161 +0 0.58233025 +0 -19.23703002 +0 H(ATOM 2330 1HB ASP A 147) 12.88596815 +0 2.46105499 +0 -18.30132696 +0 H(ATOM 2331 2HB ASP A 147) 11.39395674 +0 1.92277681 +0 -19.08827307 +0 N(ATOM 2332 N TYR A 148) 13.06344263 +0 -0.18995125 +0 -16.91632457 +0 C(ATOM 2333 CA TYR A 148) 12.27161938 +0 -0.60691716 +0 -15.75363141 +0 C(ATOM 2334 C TYR A 148) 12.85048761 +0 0.03904759 +0 -14.49331871 +0 O(ATOM 2335 O TYR A 148) 14.02896775 +0 0.34274174 +0 -14.39094878 +0 C(ATOM 2336 CB TYR A 148) 12.22080224 +0 -2.13761373 +0 -15.56203461 +0 C(ATOM 2337 CG TYR A 148) 13.43793968 +0 -2.72740282 +0 -14.92659234 +0 C(ATOM 2338 CD1 TYR A 148) 13.52460150 +0 -2.79866968 +0 -13.53277552 +0 C(ATOM 2339 CD2 TYR A 148) 14.47870181 +0 -3.22504206 +0 -15.71619673 +0 C(ATOM 2340 CE1 TYR A 148) 14.65232587 +0 -3.33020522 +0 -12.91922711 +0 C(ATOM 2341 CE2 TYR A 148) 15.61320956 +0 -3.77456173 +0 -15.12772745 +0 C(ATOM 2342 CZ TYR A 148) 15.68039220 +0 -3.80768338 +0 -13.73330247 +0 O(ATOM 2343 OH TYR A 148) 16.79810207 +0 -4.35916570 +0 -13.19215483 +0 H(ATOM 2344 H TYR A 148) 13.99222513 +0 0.18660342 +0 -16.75006675 +0 H(ATOM 2345 HA TYR A 148) 11.20360851 +0 -0.24950848 +0 -15.91512711 +0 H(ATOM 2346 1HB TYR A 148) 12.02070601 +0 -2.60543087 +0 -16.55174202 +0 H(ATOM 2347 2HB TYR A 148) 11.31755743 +0 -2.37362525 +0 -14.94653781 +0 H(ATOM 2348 HD1 TYR A 148) 12.70306299 +0 -2.43093723 +0 -12.91704935 +0 H(ATOM 2349 HD2 TYR A 148) 14.40365845 +0 -3.18130541 +0 -16.80497330 +0 H(ATOM 2350 HE1 TYR A 148) 14.73845178 +0 -3.37281569 +0 -11.83655815 +0 H(ATOM 2351 HE2 TYR A 148) 16.42727416 +0 -4.17123205 +0 -15.73031814 +0 H(ATOM 2352 HH TYR A 148) 16.88209486 +0 -4.18890804 +0 -12.21191378 +0 N(ATOM 2353 N THR A 149) 11.95681484 +0 0.24266033 +0 -13.47671431 +0 C(ATOM 2354 CA THR A 149) 12.43369430 +0 0.53954592 +0 -12.13687205 +0 C(ATOM 2355 C THR A 149) 11.80295701 +0 -0.47695091 +0 -11.17680604 +0 O(ATOM 2356 O THR A 149) 10.72581179 +0 -1.02374621 +0 -11.36567307 +0 C(ATOM 2357 CB THR A 149) 12.06430814 +0 1.97225126 +0 -11.64669805 +0 O(ATOM 2358 OG1 THR A 149) 10.65460922 +0 2.08262761 +0 -11.59385991 +0 C(ATOM 2359 CG2 THR A 149) 12.57992526 +0 3.03062947 +0 -12.60509490 +0 H(ATOM 2360 H THR A 149) 10.96202228 +0 0.01397097 +0 -13.56942759 +0 H(ATOM 2361 HA THR A 149) 13.56405807 +0 0.45485635 +0 -12.10977406 +0 H(ATOM 2362 HB THR A 149) 12.47189824 +0 2.12251659 +0 -10.61752759 +0 H(ATOM 2363 HG1 THR A 149) 10.30602651 +0 1.76982699 +0 -10.72662082 +0 H(ATOM 2364 1HG2 THR A 149) 12.37966710 +0 4.04217086 +0 -12.22861917 +0 H(ATOM 2365 2HG2 THR A 149) 13.66961200 +0 2.94248717 +0 -12.73645050 +0 H(ATOM 2366 3HG2 THR A 149) 12.12383199 +0 2.94681644 +0 -13.60018929 +0 N(ATOM 2367 N LEU A 150) 12.51331606 +0 -0.73011953 +0 -10.03739296 +0 C(ATOM 2368 CA LEU A 150) 11.99243515 +0 -1.70202995 +0 -9.07378327 +0 C(ATOM 2369 C LEU A 150) 12.57500706 +0 -1.32618278 +0 -7.70808314 +0 O(ATOM 2370 O LEU A 150) 13.78283809 +0 -1.29992192 +0 -7.51996763 +0 C(ATOM 2371 CB LEU A 150) 12.46337429 +0 -3.12492672 +0 -9.42801377 +0 C(ATOM 2372 CG LEU A 150) 11.94510642 +0 -4.18621922 +0 -8.44373105 +0 C(ATOM 2373 CD1 LEU A 150) 10.41288746 +0 -4.22499812 +0 -8.41010341 +0 C(ATOM 2374 CD2 LEU A 150) 12.50247212 +0 -5.55318187 +0 -8.85765309 +0 H(ATOM 2375 H LEU A 150) 13.44748027 +0 -0.35454190 +0 -9.86777554 +0 H(ATOM 2376 HA LEU A 150) 10.86685888 +0 -1.65596403 +0 -9.06952595 +0 H(ATOM 2377 1HB LEU A 150) 12.13428864 +0 -3.36509102 +0 -10.45933201 +0 H(ATOM 2378 2HB LEU A 150) 13.57500829 +0 -3.14984965 +0 -9.44709220 +0 H(ATOM 2379 HG LEU A 150) 12.32354796 +0 -3.94908758 +0 -7.41811227 +0 H(ATOM 2380 1HD1 LEU A 150) 9.99620360 +0 -3.30950675 +0 -7.97561115 +0 H(ATOM 2381 2HD1 LEU A 150) 9.99501419 +0 -4.34065446 +0 -9.41582880 +0 H(ATOM 2382 3HD1 LEU A 150) 10.05750497 +0 -5.06006055 +0 -7.79449414 +0 H(ATOM 2383 1HD2 LEU A 150) 13.60082417 +0 -5.54258022 +0 -8.88276917 +0 H(ATOM 2384 2HD2 LEU A 150) 12.21666521 +0 -6.33559461 +0 -8.14339754 +0 H(ATOM 2385 3HD2 LEU A 150) 12.14728713 +0 -5.85027512 +0 -9.84868063 +0 N(ATOM 2386 N ARG A 151) 11.69541357 +0 -1.00539473 +0 -6.71580005 +0 C(ATOM 2387 CA ARG A 151) 12.20550471 +0 -0.69724611 +0 -5.38113701 +0 C(ATOM 2388 C ARG A 151) 11.31929441 +0 -1.40137803 +0 -4.35163169 +0 O(ATOM 2389 O ARG A 151) 10.16604166 +0 -1.73628314 +0 -4.57990728 +0 C(ATOM 2390 CB ARG A 151) 12.20959053 +0 0.81618449 +0 -5.09204749 +0 C(ATOM 2391 CG ARG A 151) 10.81156274 +0 1.43771609 +0 -5.12208475 +0 C(ATOM 2392 CD ARG A 151) 10.85187614 +0 2.90961377 +0 -4.66301050 +0 N(ATOM 2393 NE ARG A 151) 9.96625506 +0 3.76484960 +0 -5.46843921 +0 C(ATOM 2394 CZ ARG A 151) 8.67893248 +0 4.13501499 +0 -5.07053694 +0 N(ATOM 2395 NH1 ARG A 151) 8.32669666 +0 4.10186043 +0 -3.71835461 +0 N(ATOM 2396 NH2 ARG A 151) 7.84337266 +0 4.48987821 +0 -6.02543380 +0 H(ATOM 2397 H ARG A 151) 10.68093947 +0 -1.03041862 +0 -6.81836480 +0 H(ATOM 2398 HA ARG A 151) 13.27166455 +0 -1.07529904 +0 -5.29303043 +0 H(ATOM 2399 1HB ARG A 151) 12.69894982 +0 0.99873705 +0 -4.11061434 +0 H(ATOM 2400 2HB ARG A 151) 12.87001146 +0 1.31744735 +0 -5.83509613 +0 H(ATOM 2401 1HG ARG A 151) 10.39982568 +0 1.36225481 +0 -6.14627149 +0 H(ATOM 2402 2HG ARG A 151) 10.11841256 +0 0.86638610 +0 -4.47452943 +0 H(ATOM 2403 1HD ARG A 151) 10.63692159 +0 2.98565734 +0 -3.57558770 +0 H(ATOM 2404 2HD ARG A 151) 11.88292713 +0 3.33607916 +0 -4.78170301 +0 H(ATOM 2405 HE ARG A 151) 10.06715225 +0 3.60238022 +0 -6.47519655 +0 H(ATOM 2406 1HH1 ARG A 151) 7.69168427 +0 4.82213002 +0 -3.38397508 +0 H(ATOM 2407 2HH1 ARG A 151) 9.02608156 +0 3.87420914 +0 -3.02630801 +0 H(ATOM 2408 HH2 ARG A 151) 6.98966134 +0 4.96820644 +0 -5.75513794 +0 N(ATOM 2409 N GLU A 152) 11.91975850 +0 -1.67896142 +0 -3.15293056 +0 C(ATOM 2410 CA GLU A 152) 11.08805374 +0 -2.13900235 +0 -2.04004625 +0 C(ATOM 2411 C GLU A 152) 10.45323324 +0 -0.89610140 +0 -1.38911621 +0 O(ATOM 2412 O GLU A 152) 11.04313650 +0 0.16993828 +0 -1.32694974 +0 C(ATOM 2413 CB GLU A 152) 11.94605693 +0 -2.86552544 +0 -0.99373793 +0 C(ATOM 2414 CG GLU A 152) 12.56271263 +0 -4.11025466 +0 -1.62433238 +0 C(ATOM 2415 CD GLU A 152) 13.37865973 +0 -4.92721064 +0 -0.68563382 +0 O(ATOM 2416 OE1 GLU A 152) 13.31596514 +0 -4.52888774 +0 0.59357532 +0 O(ATOM 2417 OE2 GLU A 152) 14.03460671 +0 -5.89572518 +0 -1.01103503 +0 H(ATOM 2418 H GLU A 152) 12.80730552 +0 -1.23943176 +0 -2.89391287 +0 H(ATOM 2419 HA GLU A 152) 10.28814931 +0 -2.83446501 +0 -2.43291383 +0 H(ATOM 2420 1HB GLU A 152) 11.31865279 +0 -3.12821664 +0 -0.11613475 +0 H(ATOM 2421 2HB GLU A 152) 12.73559224 +0 -2.19216607 +0 -0.59082629 +0 H(ATOM 2422 1HG GLU A 152) 11.77336795 +0 -4.75742069 +0 -2.07463792 +0 H(ATOM 2423 2HG GLU A 152) 13.22171897 +0 -3.81580505 +0 -2.48203388 +0 H(ATOM 2424 HE1 GLU A 152) 13.89240272 +0 -5.05973955 +0 1.21834282 +0 N(ATOM 2425 N VAL A 153) 9.19837402 +0 -1.07276542 +0 -0.89053967 +0 C(ATOM 2426 CA VAL A 153) 8.47558927 +0 0.02978207 +0 -0.27259369 +0 C(ATOM 2427 C VAL A 153) 7.92886811 +0 -0.47808082 +0 1.06633838 +0 O(ATOM 2428 O VAL A 153) 7.83837895 +0 -1.65721775 +0 1.35629794 +0 C(ATOM 2429 CB VAL A 153) 7.30713589 +0 0.53916923 +0 -1.16450637 +0 C(ATOM 2430 CG1 VAL A 153) 7.87400406 +0 1.05508137 +0 -2.48858189 +0 C(ATOM 2431 CG2 VAL A 153) 6.25104547 +0 -0.53773599 +0 -1.41065195 +0 H(ATOM 2432 H VAL A 153) 8.68875237 +0 -1.95235876 +0 -0.99493368 +0 H(ATOM 2433 HA VAL A 153) 9.18727456 +0 0.89005126 +0 -0.08809970 +0 H(ATOM 2434 HB VAL A 153) 6.82207224 +0 1.39638913 +0 -0.62791476 +0 H(ATOM 2435 1HG1 VAL A 153) 8.77658852 +0 1.66013290 +0 -2.33207976 +0 H(ATOM 2436 2HG1 VAL A 153) 8.15440517 +0 0.23619545 +0 -3.16033762 +0 H(ATOM 2437 3HG1 VAL A 153) 7.14706617 +0 1.68676256 +0 -3.01151135 +0 H(ATOM 2438 1HG2 VAL A 153) 5.89376608 +0 -0.98139021 +0 -0.47352115 +0 H(ATOM 2439 2HG2 VAL A 153) 5.37737908 +0 -0.10141959 +0 -1.91512227 +0 H(ATOM 2440 3HG2 VAL A 153) 6.62741292 +0 -1.34908573 +0 -2.04242836 +0 N(ATOM 2441 N ASP A 154) 7.51460209 +0 0.49215825 +0 1.94615929 +0 C(ATOM 2442 CA ASP A 154) 6.88901128 +0 0.11234812 +0 3.21018146 +0 C(ATOM 2443 C ASP A 154) 5.34959103 +0 0.16897228 +0 3.09373132 +0 O(ATOM 2444 O ASP A 154) 4.64938140 +0 -0.63035500 +0 3.68774784 +0 C(ATOM 2445 CB ASP A 154) 7.34548470 +0 1.05302874 +0 4.33033910 +0 C(ATOM 2446 CG ASP A 154) 8.73807993 +0 0.72885277 +0 4.77013727 +0 O(ATOM 2447 OD1 ASP A 154) 8.86126587 +0 -0.56451271 +0 5.11364860 +0 O(ATOM 2448 OD2 ASP A 154) 9.67525173 +0 1.49014294 +0 4.84149762 +0 H(ATOM 2449 H ASP A 154) 7.55922986 +0 1.48994335 +0 1.72185630 +0 H(ATOM 2450 HA ASP A 154) 7.15715957 +0 -0.96417356 +0 3.45934476 +0 H(ATOM 2451 1HB ASP A 154) 6.65490303 +0 0.98977758 +0 5.20976824 +0 H(ATOM 2452 2HB ASP A 154) 7.29285785 +0 2.12366126 +0 4.01393550 +0 H(ATOM 2453 HD1 ASP A 154) 9.79049769 +0 -0.83925986 +0 5.37622392 +0 N(ATOM 2454 N THR A 155) 4.81908632 +0 1.16771914 +0 2.31908424 +0 C(ATOM 2455 CA THR A 155) 3.39677305 +0 1.19203289 +0 1.99533750 +0 C(ATOM 2456 C THR A 155) 3.26352286 +0 0.90039179 +0 0.49138064 +0 O(ATOM 2457 O THR A 155) 3.85608870 +0 1.57249077 +0 -0.33482080 +0 C(ATOM 2458 CB THR A 155) 2.82103790 +0 2.61694254 +0 2.25404276 +0 O(ATOM 2459 OG1 THR A 155) 2.78104281 +0 2.82551542 +0 3.65379277 +0 C(ATOM 2460 CG2 THR A 155) 1.38805060 +0 2.73815850 +0 1.76286134 +0 H(ATOM 2461 H THR A 155) 5.41207664 +0 1.80001489 +0 1.78086316 +0 H(ATOM 2462 HA THR A 155) 2.84192452 +0 0.44530782 +0 2.63019705 +0 H(ATOM 2463 HB THR A 155) 3.48297018 +0 3.39624387 +0 1.80888940 +0 H(ATOM 2464 HG1 THR A 155) 3.68202500 +0 2.71046507 +0 4.03567304 +0 H(ATOM 2465 1HG2 THR A 155) 0.95572488 +0 3.70731888 +0 2.05178657 +0 H(ATOM 2466 2HG2 THR A 155) 1.33430547 +0 2.67753898 +0 0.66540345 +0 H(ATOM 2467 3HG2 THR A 155) 0.73279417 +0 1.95916027 +0 2.17479588 +0 N(ATOM 2468 N VAL A 156) 2.44372799 +0 -0.13273121 +0 0.14379960 +0 C(ATOM 2469 CA VAL A 156) 2.19046776 +0 -0.42977373 +0 -1.26568388 +0 C(ATOM 2470 C VAL A 156) 1.19811288 +0 0.61142729 +0 -1.84664432 +0 O(ATOM 2471 O VAL A 156) 1.48431623 +0 1.13145029 +0 -2.95069390 +0 C(ATOM 2472 CB VAL A 156) 1.53480957 +0 -1.82618259 +0 -1.41917575 +0 C(ATOM 2473 CG1 VAL A 156) 1.13073558 +0 -2.03987903 +0 -2.87970873 +0 C(ATOM 2474 CG2 VAL A 156) 2.49401537 +0 -2.92285334 +0 -0.96241254 +0 O(ATOM 2475 OXT VAL A 156) 0.14979787 +0 0.86523244 +0 -1.23265932 +0 H(ATOM 2476 H VAL A 156) 1.97540738 +0 -0.70922686 +0 0.84020927 +0 H(ATOM 2477 HA VAL A 156) 3.15611541 +0 -0.38319024 +0 -1.83267703 +0 H(ATOM 2478 HB VAL A 156) 0.61550530 +0 -1.85467583 +0 -0.78152123 +0 H(ATOM 2479 1HG1 VAL A 156) 0.34991434 +0 -1.33623815 +0 -3.19724062 +0 H(ATOM 2480 2HG1 VAL A 156) 1.97917435 +0 -1.90916675 +0 -3.56098771 +0 H(ATOM 2481 3HG1 VAL A 156) 0.73998388 +0 -3.05245162 +0 -3.03899383 +0 H(ATOM 2482 1HG2 VAL A 156) 2.86454771 +0 -2.74641554 +0 0.05586247 +0 H(ATOM 2483 2HG2 VAL A 156) 2.00032181 +0 -3.90296180 +0 -0.94705599 +0 H(ATOM 2484 3HG2 VAL A 156) 3.36464514 +0 -3.00872695 +0 -1.62339985 +0 O(HETATM 2486 OP3 8OG A1157) -6.09525427 +1 -11.30058523 +1 -17.91319075 +1 P(HETATM 2487 P 8OG A1157) -6.62448261 +1 -9.90612011 +1 -17.94905544 +1 O(HETATM 2488 O5' 8OG A1157) -5.68001929 +1 -8.91020997 +1 -17.10047524 +1 C(HETATM 2489 C5' 8OG A1157) -4.25274220 +1 -8.94584127 +1 -17.20530429 +1 C(HETATM 2490 C4' 8OG A1157) -3.71444400 +1 -9.76873001 +1 -16.01991920 +1 O(HETATM 2491 O4' 8OG A1157) -2.30791731 +1 -9.94379138 +1 -16.20198000 +1 C(HETATM 2492 C1' 8OG A1157) -1.58123848 +1 -9.25169266 +1 -15.18028177 +1 C(HETATM 2493 C2' 8OG A1157) -2.56062684 +1 -8.25473625 +1 -14.53832259 +1 N(HETATM 2494 N9 8OG A1157) -0.41304880 +1 -8.65745010 +1 -15.77797194 +1 C(HETATM 2495 C4 8OG A1157) 0.86544928 +1 -9.17052383 +1 -15.53599957 +1 C(HETATM 2496 C5 8OG A1157) 1.78718900 +1 -8.50327028 +1 -16.36647247 +1 N(HETATM 2497 N7 8OG A1157) 1.05674302 +1 -7.57155705 +1 -17.13867386 +1 C(HETATM 2498 C8 8OG A1157) -0.29879936 +1 -7.69851212 +1 -16.85249195 +1 O(HETATM 2499 O8 8OG A1157) -1.23366923 +1 -7.10306921 +1 -17.33679717 +1 C(HETATM 2500 C6 8OG A1157) 3.15815476 +1 -8.91867254 +1 -16.30358579 +1 O(HETATM 2501 O6 8OG A1157) 4.01911270 +1 -8.44445136 +1 -17.08402452 +1 N(HETATM 2502 N1 8OG A1157) 3.49717519 +1 -9.90698196 +1 -15.39271508 +1 C(HETATM 2503 C2 8OG A1157) 2.50448631 +1 -10.49074487 +1 -14.65913945 +1 N(HETATM 2504 N2 8OG A1157) 2.82783819 +1 -11.47572085 +1 -13.73831611 +1 N(HETATM 2505 N3 8OG A1157) 1.16724198 +1 -10.18796943 +1 -14.71004156 +1 C(HETATM 2506 C3' 8OG A1157) -3.89195051 +1 -9.00754050 +1 -14.68698678 +1 O(HETATM 2507 O3' 8OG A1157) -3.97415748 +1 -9.99910711 +1 -13.68596292 +1 O(HETATM 2508 OP2 8OG A1157) -6.40456134 +1 -9.45142556 +1 -19.47334420 +1 O(HETATM 2509 OP1 8OG A1157) -7.98947312 +1 -9.61341076 +1 -17.42933339 +1 H(HETATM 2510 1H5' 8OG A1157) -3.98801276 +1 -7.86647095 +1 -17.12294295 +1 H(HETATM 2511 2H5' 8OG A1157) -3.82753324 +1 -9.31167327 +1 -18.15936108 +1 H(HETATM 2512 H1' 8OG A1157) -1.26333888 +1 -10.05664408 +1 -14.45464878 +1 H(HETATM 2513 1H2' 8OG A1157) -2.56932608 +1 -7.28738537 +1 -15.07562174 +1 H(HETATM 2514 2H2' 8OG A1157) -2.30467272 +1 -8.04424883 +1 -13.48992774 +1 H(HETATM 2515 H7 8OG A1157) 1.46580014 +1 -7.06009316 +1 -17.92279153 +1 H(HETATM 2516 1H2 8OG A1157) 2.02934103 +1 -12.06044331 +1 -13.46135783 +1 H(HETATM 2517 2H2 8OG A1157) 3.66517216 +1 -12.00659880 +1 -13.91483830 +1 H(HETATM 2518 H4' 8OG A1157) -4.11963412 +1 -10.80243266 +1 -15.98017408 +1 H(HETATM 2519 1H3' 8OG A1157) -4.25763313 +1 -9.61546398 +1 -12.82724570 +1 H(HETATM 2520 2H3' 8OG A1157) -4.79189004 +1 -8.36825572 +1 -14.65480982 +1 H(HETATM 2521 HP2 8OG A1157) -6.93402808 +1 -8.58720541 +1 -19.65222660 +1 S(HETATM 2522 S SO4 A1158) -2.80000788 +0 -5.46782609 +0 4.05245644 +0 O(HETATM 2523 O1 SO4 A1158) -1.76229356 +0 -6.70740823 +0 3.95335834 +0 O(HETATM 2524 O4 SO4 A1158) -1.79707458 +0 -4.24694199 +0 4.33018947 +0 O(HETATM 2525 O3 SO4 A1158) -3.71726114 +0 -5.65860242 +0 5.13900242 +0 O(HETATM 2526 O2 SO4 A1158) -3.30103920 +0 -5.37085707 +0 2.68368363 +0 H(HETATM 2527 H1 SO4 A1158) -1.02818306 +0 -6.78650517 +0 4.60867424 +0 H(HETATM 2528 H4 SO4 A1158) -1.09746321 +0 -4.06712404 +0 3.61883897 +0 S(HETATM 2529 S SO4 A1159) -3.30416987 +0 -15.28772811 +0 5.03682053 +0 O(HETATM 2530 O1 SO4 A1159) -1.79323461 +0 -14.84544601 +0 4.72857472 +0 O(HETATM 2531 O4 SO4 A1159) -3.84620895 +0 -14.10477601 +0 5.95399915 +0 O(HETATM 2532 O3 SO4 A1159) -3.29944770 +0 -16.55896669 +0 5.70152113 +0 O(HETATM 2533 O2 SO4 A1159) -4.01135827 +0 -15.19581547 +0 3.75210832 +0 H(HETATM 2534 H1 SO4 A1159) -1.52092493 +0 -14.28651213 +0 3.92924200 +0 H(HETATM 2535 H4 SO4 A1159) -3.82356133 +0 -14.19231253 +0 6.94900755 +0 O(HETATM 2536 O HOH A2001) -2.02930707 +0 7.57955780 +0 -20.12960735 +0 H(HETATM 2537 1H HOH A2001) -1.98553242 +0 6.96754284 +0 -20.86610393 +0 H(HETATM 2538 2H HOH A2001) -2.22489388 +0 7.02690621 +0 -19.35796862 +0 O(HETATM 2539 O HOH A2002) -9.84288661 +0 -1.01882523 +0 -14.39449757 +0 H(HETATM 2540 1H HOH A2002) -9.05178401 +0 -1.54845877 +0 -14.25332256 +0 H(HETATM 2541 2H HOH A2002) -10.59381402 +0 -1.48895432 +0 -14.00011393 +0 O(HETATM 2542 O HOH A2003) -5.11507013 +0 -0.91693523 +0 -20.14133321 +0 H(HETATM 2543 1H HOH A2003) -4.49991359 +0 -0.83109357 +0 -20.88721193 +0 H(HETATM 2544 2H HOH A2003) -5.16325258 +0 -0.03946611 +0 -19.76534007 +0 O(HETATM 2545 O HOH A2004) -9.90370281 +0 -7.45681080 +0 -11.06420273 +0 H(HETATM 2546 1H HOH A2004) -9.04657183 +0 -7.27545821 +0 -11.45432367 +0 H(HETATM 2547 2H HOH A2004) -9.70433498 +0 -7.84151665 +0 -10.21120970 +0 O(HETATM 2548 O HOH A2005) 0.63856394 +0 -30.08352676 +0 -6.82097093 +0 H(HETATM 2549 1H HOH A2005) 1.41950753 +0 -29.89784074 +0 -7.34501035 +0 H(HETATM 2550 2H HOH A2005) 0.85089400 +0 -29.67224598 +0 -5.96340750 +0 O(HETATM 2551 O HOH A2006) -2.19097456 +0 -17.55912466 +0 -7.36676427 +0 H(HETATM 2552 1H HOH A2006) -1.56172480 +0 -18.14901488 +0 -7.81806511 +0 H(HETATM 2553 2H HOH A2006) -2.27564252 +0 -16.76675067 +0 -7.89701744 +0 O(HETATM 2554 O HOH A2007) -1.64100669 +0 -20.18289380 +0 -25.76438133 +0 H(HETATM 2555 1H HOH A2007) -0.92059918 +0 -19.63530141 +0 -26.10309918 +0 H(HETATM 2556 2H HOH A2007) -2.37927430 +0 -19.57755496 +0 -25.64584965 +0 O(HETATM 2557 O HOH A2008) 3.01710134 +0 -18.61924417 +0 2.63732765 +0 H(HETATM 2558 1H HOH A2008) 2.37589148 +0 -18.52099854 +0 1.92300634 +0 H(HETATM 2559 2H HOH A2008) 3.87505440 +0 -18.52016091 +0 2.22151285 +0 O(HETATM 2560 O HOH A2009) 6.27919179 +0 -18.70359631 +0 0.91327709 +0 H(HETATM 2561 1H HOH A2009) 6.98624960 +0 -18.33452309 +0 0.38149795 +0 H(HETATM 2562 2H HOH A2009) 5.96791064 +0 -19.50115085 +0 0.49064889 +0 O(HETATM 2563 O HOH A2010) 0.67811215 +0 -25.75656003 +0 1.61095292 +0 H(HETATM 2564 1H HOH A2010) 1.59822534 +0 -25.56718751 +0 1.40854239 +0 H(HETATM 2565 2H HOH A2010) 0.16178196 +0 -25.35635357 +0 0.90499164 +0 O(HETATM 2566 O HOH A2011) 3.29118902 +0 -25.53099204 +0 1.03177571 +0 H(HETATM 2567 1H HOH A2011) 3.26070704 +0 -26.08061362 +0 0.23356153 +0 H(HETATM 2568 2H HOH A2011) 3.64414480 +0 -26.12764446 +0 1.71375900 +0 O(HETATM 2569 O HOH A2012) 9.17480436 +0 -25.09461931 +0 -2.49340653 +0 H(HETATM 2570 1H HOH A2012) 9.46323029 +0 -24.62713204 +0 -1.70484304 +0 H(HETATM 2571 2H HOH A2012) 8.22654586 +0 -25.26396613 +0 -2.35623480 +0 O(HETATM 2572 O HOH A2013) 1.75416625 +0 -28.97772026 +0 -4.65274964 +0 H(HETATM 2573 1H HOH A2013) 2.54880937 +0 -28.48979406 +0 -4.91503235 +0 H(HETATM 2574 2H HOH A2013) 2.08110841 +0 -29.75118599 +0 -4.16697896 +0 O(HETATM 2575 O HOH A2014) -2.68566049 +0 -30.06465234 +0 -3.80001304 +0 H(HETATM 2576 1H HOH A2014) -2.71628486 +0 -30.82257429 +0 -4.40088706 +0 H(HETATM 2577 2H HOH A2014) -3.31431994 +0 -29.44406239 +0 -4.17934399 +0 O(HETATM 2578 O HOH A2015) -6.45719168 +0 -2.62466930 +0 -2.32699177 +0 H(HETATM 2579 1H HOH A2015) -5.61971341 +0 -2.67724670 +0 -2.78586983 +0 H(HETATM 2580 2H HOH A2015) -6.44885548 +0 -3.25458820 +0 -1.59939563 +0 O(HETATM 2581 O HOH A2016) -15.32347901 +0 -14.07028628 +0 -1.87409937 +0 H(HETATM 2582 1H HOH A2016) -15.73854043 +0 -14.81121321 +0 -1.40588052 +0 H(HETATM 2583 2H HOH A2016) -15.56913251 +0 -13.29707878 +0 -1.34595643 +0 O(HETATM 2584 O HOH A2017) -2.30385971 +0 -21.38449455 +0 -23.45918666 +0 H(HETATM 2585 1H HOH A2017) -1.81966521 +0 -21.04256891 +0 -24.21983290 +0 H(HETATM 2586 2H HOH A2017) -2.43270241 +0 -20.61253110 +0 -22.89813581 +0 O(HETATM 2587 O HOH A2018) -8.60988936 +1 -13.40987329 +1 -20.76217175 +1 H(HETATM 2588 1H HOH A2018) -7.97985173 +1 -12.69418902 +1 -20.89945279 +1 H(HETATM 2589 2H HOH A2018) -8.83949110 +1 -13.38540433 +1 -19.84080497 +1 O(HETATM 2590 O HOH A2019) -7.08834579 +1 -11.26863481 +1 -21.32726775 +1 H(HETATM 2591 1H HOH A2019) -6.89189350 +1 -10.57297191 +1 -20.66182498 +1 H(HETATM 2592 2H HOH A2019) -7.82303951 +1 -10.89655448 +1 -21.84448586 +1 O(HETATM 2593 O HOH A2020) -10.17104148 +0 -20.96657137 +0 -23.35991581 +0 H(HETATM 2594 1H HOH A2020) -9.24836052 +0 -21.18520842 +0 -23.48213355 +0 H(HETATM 2595 2H HOH A2020) -10.24259382 +0 -20.70062158 +0 -22.43275602 +0 O(HETATM 2596 O HOH A2021) -16.28548374 +0 -16.52318864 +0 -23.16019334 +0 H(HETATM 2597 1H HOH A2021) -16.13422236 +0 -15.57741746 +0 -23.06773414 +0 H(HETATM 2598 2H HOH A2021) -16.14504498 +0 -16.87609290 +0 -22.26652416 +0 O(HETATM 2599 O HOH A2022) 0.95824092 +0 -11.79480754 +0 2.06092799 +0 H(HETATM 2600 1H HOH A2022) 1.84881641 +0 -12.18076577 +0 1.95693965 +0 H(HETATM 2601 2H HOH A2022) 1.04784334 +0 -11.18697734 +0 2.80926351 +0 O(HETATM 2602 O HOH A2023) -7.45818038 +0 -15.18762804 +0 -27.29362647 +0 H(HETATM 2603 1H HOH A2023) -7.14010052 +0 -14.53488206 +0 -27.93497514 +0 H(HETATM 2604 2H HOH A2023) -8.40910339 +0 -15.01429227 +0 -27.23844466 +0 O(HETATM 2605 O HOH A2024) -1.41629747 +1 -11.55314279 +1 -18.17058922 +1 H(HETATM 2606 1H HOH A2024) -1.57716390 +1 -10.79170185 +1 -17.59589080 +1 H(HETATM 2607 2H HOH A2024) -1.97528674 +1 -11.45787209 +1 -18.94766195 +1 O(HETATM 2608 O HOH A2025) -4.06427149 +0 -2.52931293 +0 -3.57754779 +0 H(HETATM 2609 1H HOH A2025) -3.41987036 +0 -3.24024611 +0 -3.73914158 +0 H(HETATM 2610 2H HOH A2025) -3.55289410 +0 -1.83664227 +0 -3.12782284 +0 O(HETATM 2611 O HOH A2026) -0.34176138 +0 -14.69613094 +0 -18.16590546 +0 H(HETATM 2612 1H HOH A2026) -0.25458024 +0 -15.61773061 +0 -18.42596822 +0 H(HETATM 2613 2H HOH A2026) -1.27202775 +0 -14.47449713 +0 -18.18833855 +0 O(HETATM 2614 O HOH A2027) 5.28165050 +0 -18.79159443 +0 -22.39764409 +0 H(HETATM 2615 1H HOH A2027) 5.77813270 +0 -19.58141190 +0 -22.18366002 +0 H(HETATM 2616 2H HOH A2027) 4.36080503 +0 -18.94326385 +0 -22.13106975 +0 O(HETATM 2617 O HOH A2028) 6.55344715 +0 -16.45723864 +0 -22.74364355 +0 H(HETATM 2618 1H HOH A2028) 7.28075149 +0 -16.60155526 +0 -22.13312872 +0 H(HETATM 2619 2H HOH A2028) 6.00537654 +0 -17.26110874 +0 -22.65275697 +0 O(HETATM 2620 O HOH A2029) 3.56130032 +1 -14.08383520 +1 -16.09075487 +1 H(HETATM 2621 1H HOH A2029) 3.20077527 +1 -14.95458643 +1 -15.92381267 +1 H(HETATM 2622 2H HOH A2029) 3.93522887 +1 -13.73857607 +1 -15.28816837 +1 O(HETATM 2623 O HOH A2030) 6.27921876 +0 -23.94401105 +0 -18.30077310 +0 H(HETATM 2624 1H HOH A2030) 6.75731176 +0 -23.51883465 +0 -19.02066110 +0 H(HETATM 2625 2H HOH A2030) 6.91571847 +0 -24.03087592 +0 -17.58773423 +0 O(HETATM 2626 O HOH A2031) -3.07864292 +1 -13.43431723 +1 -17.22170594 +1 H(HETATM 2627 1H HOH A2031) -2.46276023 +1 -12.71665147 +1 -17.39518151 +1 H(HETATM 2628 2H HOH A2031) -3.35492998 +1 -13.34110341 +1 -16.30607866 +1 O(HETATM 2629 O HOH A2032) 3.63720712 +0 -13.11648749 +0 1.67925514 +0 H(HETATM 2630 1H HOH A2032) 4.02466310 +0 -12.76910500 +0 0.84878830 +0 H(HETATM 2631 2H HOH A2032) 4.27598089 +0 -12.87452285 +0 2.35174515 +0 O(HETATM 2632 O HOH A2033) -3.78225775 +1 -13.02615825 +1 -14.65150117 +1 H(HETATM 2633 1H HOH A2033) -3.42611793 +1 -13.59788977 +1 -13.95497467 +1 H(HETATM 2634 2H HOH A2033) -3.71577968 +1 -12.11680900 +1 -14.33492993 +1 O(HETATM 2635 O HOH A2034) -5.87683655 +1 -13.42631572 +1 -16.28309880 +1 H(HETATM 2636 1H HOH A2034) -5.23530416 +1 -13.25860490 +1 -15.58232736 +1 H(HETATM 2637 2H HOH A2034) -6.00950807 +1 -12.58802183 +1 -16.75475744 +1 O(HETATM 2638 O HOH A2035) -9.19900135 +1 -11.76608050 +1 -16.39340236 +1 H(HETATM 2639 1H HOH A2035) -8.68411130 +1 -11.00082604 +1 -16.79950040 +1 H(HETATM 2640 2H HOH A2035) -8.73546083 +1 -11.94656745 +1 -15.56730172 +1 O(HETATM 2641 O HOH A2036) -11.33393156 +1 -8.26226415 +1 -17.51437071 +1 H(HETATM 2642 1H HOH A2036) -10.38788670 +1 -8.13560550 +1 -17.49313328 +1 H(HETATM 2643 2H HOH A2036) -11.72235835 +1 -7.88702717 +1 -16.70553417 +1 O(HETATM 2644 O HOH A2037) -12.53450322 +0 -7.60946282 +0 -15.20711508 +0 H(HETATM 2645 1H HOH A2037) -11.93825889 +0 -7.13488944 +0 -14.60472287 +0 H(HETATM 2646 2H HOH A2037) -13.39997783 +0 -7.38661849 +0 -14.87277940 +0 O(HETATM 2647 O HOH A2038) -16.62123924 +0 -1.63293077 +0 -16.01477874 +0 H(HETATM 2648 1H HOH A2038) -15.68225152 +0 -1.51681145 +0 -15.85958556 +0 H(HETATM 2649 2H HOH A2038) -17.08400180 +0 -1.51899849 +0 -15.18791148 +0 O(HETATM 2650 O HOH A2039) -19.37172596 +0 -3.72577524 +0 -10.33889112 +0 H(HETATM 2651 1H HOH A2039) -18.98199953 +0 -2.88968807 +0 -10.61690215 +0 H(HETATM 2652 2H HOH A2039) -18.78704468 +0 -4.40244820 +0 -10.67995473 +0 O(HETATM 2653 O HOH A2040) -20.84633408 +0 0.74500613 +0 -15.08295838 +0 H(HETATM 2654 1H HOH A2040) -19.91092748 +0 0.59033886 +0 -15.25252184 +0 H(HETATM 2655 2H HOH A2040) -20.85451132 +0 1.67181800 +0 -14.80198984 +0 O(HETATM 2656 O HOH A2041) -14.16895237 +0 4.26209139 +0 -15.69936649 +0 H(HETATM 2657 1H HOH A2041) -13.59268400 +0 3.49075880 +0 -15.78272302 +0 H(HETATM 2658 2H HOH A2041) -15.05637635 +0 3.89900409 +0 -15.77697388 +0 O(HETATM 2659 O HOH A2042) -16.49789849 +0 -3.74023333 +0 -4.13616273 +0 H(HETATM 2660 1H HOH A2042) -16.14115337 +0 -4.14771670 +0 -3.33442152 +0 H(HETATM 2661 2H HOH A2042) -17.12543512 +0 -4.39587633 +0 -4.46260365 +0 O(HETATM 2662 O HOH A2043) -12.68838842 +0 -4.07436157 +0 -0.73623531 +0 H(HETATM 2663 1H HOH A2043) -12.16748960 +0 -4.79128498 +0 -0.37263379 +0 H(HETATM 2664 2H HOH A2043) -12.62372310 +0 -3.35491470 +0 -0.09347317 +0 O(HETATM 2665 O HOH A2044) -9.39717178 +0 -2.28332023 +0 -2.67805652 +0 H(HETATM 2666 1H HOH A2044) -8.43625865 +0 -2.26587086 +0 -2.52636926 +0 H(HETATM 2667 2H HOH A2044) -9.78431070 +0 -2.34348629 +0 -1.79541656 +0 O(HETATM 2668 O HOH A2045) 13.96495098 +0 -9.27797703 +0 -19.91315258 +0 H(HETATM 2669 1H HOH A2045) 14.54499562 +0 -8.68168655 +0 -19.43523074 +0 H(HETATM 2670 2H HOH A2045) 13.68498021 +0 -9.94548823 +0 -19.26960032 +0 O(HETATM 2671 O HOH A2046) -6.75593593 +0 -4.27434538 +0 -0.21909673 +0 H(HETATM 2672 1H HOH A2046) -6.11826795 +0 -4.83292099 +0 0.25774803 +0 H(HETATM 2673 2H HOH A2046) -7.59394402 +0 -4.74781376 +0 -0.03861889 +0 O(HETATM 2674 O HOH A2047) -5.56990862 +0 -6.02908722 +0 1.41361292 +0 H(HETATM 2675 1H HOH A2047) -4.77041270 +0 -5.73870929 +0 1.86340624 +0 H(HETATM 2676 2H HOH A2047) -5.57355235 +0 -6.98202502 +0 1.45858437 +0 O(HETATM 2677 O HOH A2048) -8.44536443 +0 -8.91672169 +0 2.81942205 +0 H(HETATM 2678 1H HOH A2048) -8.85031062 +0 -8.36494166 +0 2.10764077 +0 H(HETATM 2679 2H HOH A2048) -7.55798261 +0 -8.56516517 +0 2.94077020 +0 O(HETATM 2680 O HOH A2049) -15.58603267 +0 -9.45419686 +0 -5.13793409 +0 H(HETATM 2681 1H HOH A2049) -14.76597857 +0 -9.25447653 +0 -5.60146405 +0 H(HETATM 2682 2H HOH A2049) -15.60602292 +0 -8.85815812 +0 -4.39052431 +0 O(HETATM 2683 O HOH A2050) 10.72806040 +0 -18.97718796 +0 -0.96669720 +0 H(HETATM 2684 1H HOH A2050) 11.09155194 +0 -18.48299234 +0 -1.69827136 +0 H(HETATM 2685 2H HOH A2050) 9.92864446 +0 -18.50570586 +0 -0.68958946 +0 O(HETATM 2686 O HOH A2051) 12.52011994 +0 -16.64030223 +0 -7.13093053 +0 H(HETATM 2687 1H HOH A2051) 12.91653257 +0 -16.15314449 +0 -7.85003610 +0 H(HETATM 2688 2H HOH A2051) 12.87569351 +0 -16.24786653 +0 -6.32923208 +0 O(HETATM 2689 O HOH A2052) -11.68854256 +0 -14.94621419 +0 -4.54075032 +0 H(HETATM 2690 1H HOH A2052) -12.03631838 +0 -14.48008814 +0 -5.28786715 +0 H(HETATM 2691 2H HOH A2052) -12.15103006 +0 -14.69968550 +0 -3.75011794 +0 O(HETATM 2692 O HOH A2053) -12.68912811 +0 -14.47853627 +0 -2.09040908 +0 H(HETATM 2693 1H HOH A2053) -12.27445028 +0 -13.80879990 +0 -1.55308450 +0 H(HETATM 2694 2H HOH A2053) -13.66033381 +0 -14.35285250 +0 -2.01227327 +0 O(HETATM 2695 O HOH A2054) 7.55360990 +0 2.98618213 +0 -9.42081131 +0 H(HETATM 2696 1H HOH A2054) 8.33512514 +0 2.42098254 +0 -9.38520403 +0 H(HETATM 2697 2H HOH A2054) 7.51924814 +0 3.44060224 +0 -8.57013173 +0 O(HETATM 2698 O HOH A2055) -14.12084717 +0 -10.63809791 +0 -15.56584025 +0 H(HETATM 2699 1H HOH A2055) -14.26435387 +0 -11.49266669 +0 -15.14408130 +0 H(HETATM 2700 2H HOH A2055) -13.30999545 +0 -10.77970257 +0 -16.05946357 +0 O(HETATM 2701 O HOH A2056) -11.66751417 +1 -10.77295048 +1 -16.66243226 +1 H(HETATM 2702 1H HOH A2056) -10.79773152 +1 -11.20819184 +1 -16.50774723 +1 H(HETATM 2703 2H HOH A2056) -11.49625150 +1 -9.88083710 +1 -17.03965253 +1 O(HETATM 2704 O HOH A2057) -12.36151874 +0 -13.06528155 +0 -15.76511830 +0 H(HETATM 2705 1H HOH A2057) -11.65703384 +0 -13.60212873 +0 -16.12594969 +0 H(HETATM 2706 2H HOH A2057) -12.06945154 +0 -12.81912351 +0 -14.88850741 +0 O(HETATM 2707 O HOH A2058) 18.48451164 +0 -2.26197349 +0 -20.23524791 +0 H(HETATM 2708 1H HOH A2058) 18.04172336 +0 -2.69564806 +0 -19.49999771 +0 H(HETATM 2709 2H HOH A2058) 18.03273336 +0 -1.40086745 +0 -20.31141164 +0 O(HETATM 2710 O HOH A2059) -15.21736719 +0 -19.84362424 +0 -11.74884101 +0 H(HETATM 2711 1H HOH A2059) -14.35619752 +0 -19.92227721 +0 -12.16336458 +0 H(HETATM 2712 2H HOH A2059) -15.05006151 +0 -19.26880168 +0 -10.99451568 +0 O(HETATM 2713 O HOH A2060) 7.07823111 +0 5.27442163 +0 -13.77119420 +0 H(HETATM 2714 1H HOH A2060) 7.78035488 +0 4.98908642 +0 -13.16932202 +0 H(HETATM 2715 2H HOH A2060) 6.82512582 +0 4.47054220 +0 -14.23166825 +0 O(HETATM 2716 O HOH A2061) -17.91246264 +0 -13.42758647 +0 -11.29598333 +0 H(HETATM 2717 1H HOH A2061) -17.24089578 +0 -12.88369656 +0 -11.69473693 +0 H(HETATM 2718 2H HOH A2061) -18.46300860 +0 -12.83988985 +0 -10.77371934 +0 O(HETATM 2719 O HOH A2062) -12.33997303 +0 -21.93804413 +0 -12.47896820 +0 H(HETATM 2720 1H HOH A2062) -11.53288408 +0 -22.37699808 +0 -12.76868740 +0 H(HETATM 2721 2H HOH A2062) -12.06859275 +0 -21.23516718 +0 -11.89702974 +0 O(HETATM 2722 O HOH A2063) -7.62658711 +0 -22.02499840 +0 -12.48327006 +0 H(HETATM 2723 1H HOH A2063) -8.10688799 +0 -21.25324882 +0 -12.77665079 +0 H(HETATM 2724 2H HOH A2063) -8.29965860 +0 -22.70797404 +0 -12.44138449 +0 O(HETATM 2725 O HOH A2064) -12.16921311 +0 -23.70642928 +0 -7.20809916 +0 H(HETATM 2726 1H HOH A2064) -11.61045470 +0 -24.45365948 +0 -6.99041185 +0 H(HETATM 2727 2H HOH A2064) -11.65064183 +0 -23.16680294 +0 -7.80406794 +0 O(HETATM 2728 O HOH A2065) -13.97873427 +0 -23.31777172 +0 -4.50535496 +0 H(HETATM 2729 1H HOH A2065) -13.52941717 +0 -22.85705564 +0 -5.23170985 +0 H(HETATM 2730 2H HOH A2065) -14.08335709 +0 -22.65264637 +0 -3.80977750 +0 O(HETATM 2731 O HOH A2066) -14.42780413 +0 -21.67069874 +0 -2.42995218 +0 H(HETATM 2732 1H HOH A2066) -14.28164428 +0 -20.70829057 +0 -2.43438777 +0 H(HETATM 2733 2H HOH A2066) -13.59892781 +0 -22.00143984 +0 -2.05057838 +0 O(HETATM 2734 O HOH A2067) -0.77424438 +0 -13.78271442 +0 2.51644899 +0 H(HETATM 2735 1H HOH A2067) -0.10063516 +0 -14.48022571 +0 2.54078419 +0 H(HETATM 2736 2H HOH A2067) -0.21020053 +0 -12.96890682 +0 2.45220438 +0 O(HETATM 2737 O HOH A2068) 0.10103925 +0 -4.06573832 +0 2.45965370 +0 H(HETATM 2738 1H HOH A2068) 0.29066611 +0 -4.66796385 +0 1.72890088 +0 H(HETATM 2739 2H HOH A2068) 0.57678514 +0 -3.23225979 +0 2.32170516 +0 O(HETATM 2740 O HOH A2069) -0.96995073 +0 0.11999097 +0 1.08049706 +0 H(HETATM 2741 1H HOH A2069) -0.50187791 +0 0.40965972 +0 0.26647996 +0 H(HETATM 2742 2H HOH A2069) -0.40650236 +0 -0.54298300 +0 1.46307226 +0 O(HETATM 2743 O HOH A2070) -1.70074898 +0 -4.32952403 +0 -4.07323866 +0 H(HETATM 2744 1H HOH A2070) -0.87033592 +0 -3.97914826 +0 -4.40658135 +0 H(HETATM 2745 2H HOH A2070) -1.57963161 +0 -5.28205503 +0 -4.13436248 +0 O(HETATM 2746 O HOH A2071) -3.25335646 +0 2.90939561 +0 -7.84057514 +0 H(HETATM 2747 1H HOH A2071) -3.11739722 +0 2.73446118 +0 -8.81224199 +0 H(HETATM 2748 2H HOH A2071) -2.37228081 +0 3.09433736 +0 -7.51526056 +0 O(HETATM 2749 O HOH A2072) 6.85112991 +0 5.57621088 +0 -25.46638253 +0 H(HETATM 2750 1H HOH A2072) 7.80457596 +0 5.64827368 +0 -25.55933768 +0 H(HETATM 2751 2H HOH A2072) 6.53160625 +0 6.49086558 +0 -25.49891764 +0 O(HETATM 2752 O HOH A2073) 0.94891992 +0 1.98875905 +0 -22.15391557 +0 H(HETATM 2753 1H HOH A2073) 0.75091265 +0 2.41851219 +0 -22.99133460 +0 H(HETATM 2754 2H HOH A2073) 0.11382661 +0 1.93972036 +0 -21.69192549 +0 O(HETATM 2755 O HOH A2074) 3.99420149 +0 -2.10081653 +0 -27.50720004 +0 H(HETATM 2756 1H HOH A2074) 3.87538341 +0 -2.20242867 +0 -28.45593461 +0 H(HETATM 2757 2H HOH A2074) 3.83454839 +0 -1.16147611 +0 -27.35457636 +0 O(HETATM 2758 O HOH A2075) 0.62280375 +0 4.75741575 +0 -30.75908707 +0 H(HETATM 2759 1H HOH A2075) 0.94998600 +0 5.60344051 +0 -30.44078484 +0 H(HETATM 2760 2H HOH A2075) 0.34586687 +0 4.27322866 +0 -29.96820290 +0 O(HETATM 2761 O HOH A2076) -3.37848970 +0 -0.05991126 +0 -26.41177869 +0 H(HETATM 2762 1H HOH A2076) -4.17455047 +0 -0.04655137 +0 -26.95163092 +0 H(HETATM 2763 2H HOH A2076) -3.58310524 +0 0.49896843 +0 -25.65299758 +0 O(HETATM 2764 O HOH A2077) -3.00217743 +0 0.04106008 +0 -22.04173967 +0 H(HETATM 2765 1H HOH A2077) -2.40909539 +0 -0.55117150 +0 -22.51662122 +0 H(HETATM 2766 2H HOH A2077) -2.43267860 +0 0.72840195 +0 -21.65071107 +0 O(HETATM 2767 O HOH A2078) -4.04886132 +0 1.67718632 +0 -23.90011040 +0 H(HETATM 2768 1H HOH A2078) -3.76872235 +0 1.01231233 +0 -23.24820765 +0 H(HETATM 2769 2H HOH A2078) -5.01195929 +0 1.68659162 +0 -23.87272020 +0 O(HETATM 2770 O HOH A2079) 4.62433965 +0 -11.99911108 +0 -0.54168880 +0 H(HETATM 2771 1H HOH A2079) 5.46767607 +0 -12.34457265 +0 -0.87503009 +0 H(HETATM 2772 2H HOH A2079) 4.82354796 +0 -11.06849086 +0 -0.33565327 +0 O(HETATM 2773 O HOH A2080) -10.23105542 +0 -19.66345070 +0 4.74080694 +0 H(HETATM 2774 1H HOH A2080) -9.48281943 +0 -19.61569516 +0 4.14009996 +0 H(HETATM 2775 2H HOH A2080) -9.86517798 +0 -19.50750051 +0 5.61982928 +0 O(HETATM 2776 O HOH A2081) -6.75713992 +0 -25.92561334 +0 -2.63217303 +0 H(HETATM 2777 1H HOH A2081) -6.25296091 +0 -25.44631996 +0 -1.97266997 +0 H(HETATM 2778 2H HOH A2081) -7.67258625 +0 -25.64741259 +0 -2.48586762 +0 O(HETATM 2779 O HOH A2082) -13.29579461 +0 -25.91216478 +0 -4.55408531 +0 H(HETATM 2780 1H HOH A2082) -13.05152821 +0 -25.93878960 +0 -5.48912309 +0 H(HETATM 2781 2H HOH A2082) -13.54348110 +0 -24.97823690 +0 -4.41273020 +0 O(HETATM 2782 O HOH A2083) -14.44225024 +0 -23.57796421 +0 -14.46087149 +0 H(HETATM 2783 1H HOH A2083) -13.56295805 +0 -23.92151540 +0 -14.65950844 +0 H(HETATM 2784 2H HOH A2083) -14.30607623 +0 -23.02233558 +0 -13.68900144 +0 O(HETATM 2785 O HOH A2084) -6.31704582 +0 -27.12441454 +0 -20.85202258 +0 H(HETATM 2786 1H HOH A2084) -5.57599222 +0 -26.52203731 +0 -20.85640713 +0 H(HETATM 2787 2H HOH A2084) -6.97739497 +0 -26.71675692 +0 -20.23574165 +0 O(HETATM 2788 O HOH A2085) -12.21399483 +0 -17.64646435 +0 -17.23450658 +0 H(HETATM 2789 1H HOH A2085) -12.01821388 +0 -16.69867491 +0 -17.29778121 +0 H(HETATM 2790 2H HOH A2085) -12.47763775 +0 -17.76929869 +0 -16.31881568 +0 O(HETATM 2791 O HOH A2086) -14.76074795 +0 -20.37930174 +0 -17.07920565 +0 H(HETATM 2792 1H HOH A2086) -14.83743331 +0 -19.51206852 +0 -16.64518780 +0 H(HETATM 2793 2H HOH A2086) -14.93849397 +0 -21.02059370 +0 -16.37221334 +0 O(HETATM 2794 O HOH A2087) -16.87065767 +0 -20.80247163 +0 -18.69032382 +0 H(HETATM 2795 1H HOH A2087) -16.14823990 +0 -20.61545872 +0 -18.04925508 +0 H(HETATM 2796 2H HOH A2087) -17.55413524 +0 -20.13442316 +0 -18.50226784 +0 O(HETATM 2797 O HOH A2088) -15.86402368 +0 -17.45651162 +0 -20.68242363 +0 H(HETATM 2798 1H HOH A2088) -15.68457636 +0 -18.40263315 +0 -20.66843479 +0 H(HETATM 2799 2H HOH A2088) -15.11345373 +0 -17.04845736 +0 -20.23714656 +0 O(HETATM 2800 O HOH A2089) -12.09556454 +1 -12.26884672 +1 -18.85086203 +1 H(HETATM 2801 1H HOH A2089) -11.16632384 +1 -12.42984177 +1 -19.00889035 +1 H(HETATM 2802 2H HOH A2089) -12.10898810 +1 -11.83672758 +1 -17.97802091 +1 O(HETATM 2803 O HOH A2090) -3.90849252 +0 -24.77824768 +0 -21.14890979 +0 H(HETATM 2804 1H HOH A2090) -3.11742455 +0 -24.66434507 +0 -21.72391113 +0 H(HETATM 2805 2H HOH A2090) -4.16206608 +0 -23.89000494 +0 -20.90899992 +0 O(HETATM 2806 O HOH A2091) -2.82224570 +0 -28.97079578 +0 -15.80957875 +0 H(HETATM 2807 1H HOH A2091) -2.39808498 +0 -28.28552318 +0 -16.36068780 +0 H(HETATM 2808 2H HOH A2091) -3.24621541 +0 -28.51945717 +0 -15.07534038 +0 O(HETATM 2809 O HOH A2092) -1.61372866 +0 -24.33232317 +0 -22.44507298 +0 H(HETATM 2810 1H HOH A2092) -1.41505496 +0 -24.90334002 +0 -23.20322392 +0 H(HETATM 2811 2H HOH A2092) -1.64641132 +0 -23.43505730 +0 -22.81328887 +0 O(HETATM 2812 O HOH A2093) -4.22088660 +0 -28.11620098 +0 -13.68207966 +0 H(HETATM 2813 1H HOH A2093) -3.61816910 +0 -28.28158245 +0 -12.93982748 +0 H(HETATM 2814 2H HOH A2093) -4.38758357 +0 -27.16339530 +0 -13.57992202 +0 O(HETATM 2815 O HOH A2094) -4.71859145 +0 -27.76405521 +0 -9.80415161 +0 H(HETATM 2816 1H HOH A2094) -4.24918846 +0 -27.17856108 +0 -10.40981860 +0 H(HETATM 2817 2H HOH A2094) -5.58709826 +0 -27.38172404 +0 -9.68111291 +0 O(HETATM 2818 O HOH A2095) 4.86691810 +0 -28.82925166 +0 -7.56476610 +0 H(HETATM 2819 1H HOH A2095) 4.75393503 +0 -28.63264553 +0 -6.62039750 +0 H(HETATM 2820 2H HOH A2095) 4.26807761 +0 -28.19084655 +0 -7.97564066 +0 O(HETATM 2821 O HOH A2096) 7.15938609 +0 -27.48676746 +0 -8.90260169 +0 H(HETATM 2822 1H HOH A2096) 8.06334304 +0 -27.83335246 +0 -8.96655078 +0 H(HETATM 2823 2H HOH A2096) 6.61269842 +0 -28.19637106 +0 -8.54477138 +0 O(HETATM 2824 O HOH A2097) 3.97162763 +0 -27.63339382 +0 -5.34612596 +0 H(HETATM 2825 1H HOH A2097) 4.72185928 +0 -27.70162882 +0 -4.70085846 +0 H(HETATM 2826 2H HOH A2097) 3.97442550 +0 -26.73082249 +0 -5.65969454 +0 O(HETATM 2827 O HOH A2098) 12.15426526 +0 -20.70256637 +0 -8.95436012 +0 H(HETATM 2828 1H HOH A2098) 13.11300548 +0 -20.65013993 +0 -9.01637563 +0 H(HETATM 2829 2H HOH A2098) 11.93704162 +0 -20.49493681 +0 -8.04155247 +0 O(HETATM 2830 O HOH A2099) 8.61554604 +0 -25.46178075 +0 -13.21661839 +0 H(HETATM 2831 1H HOH A2099) 8.24262163 +0 -24.85496728 +0 -13.85434573 +0 H(HETATM 2832 2H HOH A2099) 8.68437483 +0 -24.93857492 +0 -12.40125927 +0 O(HETATM 2833 O HOH A2100) 12.22625585 +0 -20.79102962 +0 -16.04880730 +0 H(HETATM 2834 1H HOH A2100) 13.15836540 +0 -20.54459490 +0 -15.97943330 +0 H(HETATM 2835 2H HOH A2100) 11.91154171 +0 -20.84658117 +0 -15.14473089 +0 O(HETATM 2836 O HOH A2101) 9.91187192 +0 -13.81292227 +0 -15.89454594 +0 H(HETATM 2837 1H HOH A2101) 10.67770781 +0 -13.99813399 +0 -16.45222317 +0 H(HETATM 2838 2H HOH A2101) 9.22811868 +0 -13.44712246 +0 -16.44481964 +0 O(HETATM 2839 O HOH A2102) 9.88606687 +0 -14.73504276 +0 -19.99050735 +0 H(HETATM 2840 1H HOH A2102) 10.13072134 +0 -15.30117303 +0 -19.25172197 +0 H(HETATM 2841 2H HOH A2102) 8.94026304 +0 -14.63336392 +0 -19.87502832 +0 O(HETATM 2842 O HOH A2103) 13.38749811 +0 -11.08341778 +0 -18.00813438 +0 H(HETATM 2843 1H HOH A2103) 14.10246387 +0 -11.01682414 +0 -17.36258515 +0 H(HETATM 2844 2H HOH A2103) 12.57482488 +0 -10.83930992 +0 -17.53388280 +0 O(HETATM 2845 O HOH A2104) 12.22096098 +0 -13.82586618 +0 -17.28433640 +0 H(HETATM 2846 1H HOH A2104) 12.71710977 +0 -14.04879374 +0 -16.47654369 +0 H(HETATM 2847 2H HOH A2104) 12.38002534 +0 -12.88108373 +0 -17.37844731 +0 O(HETATM 2848 O HOH A2105) 14.36124841 +0 -14.27375104 +0 -10.63363836 +0 H(HETATM 2849 1H HOH A2105) 14.95527285 +0 -14.07384039 +0 -9.90841088 +0 H(HETATM 2850 2H HOH A2105) 13.88152715 +0 -13.45236333 +0 -10.79707583 +0 O(HETATM 2851 O HOH A2106) 15.11451930 +0 -8.30885070 +0 -8.51621036 +0 H(HETATM 2852 1H HOH A2106) 15.02122037 +0 -8.06279070 +0 -7.59691257 +0 H(HETATM 2853 2H HOH A2106) 14.22174903 +0 -8.58547787 +0 -8.77729839 +0 O(HETATM 2854 O HOH A2107) 11.27939447 +0 -15.85970624 +0 2.11140452 +0 H(HETATM 2855 1H HOH A2107) 11.59601212 +0 -15.07422262 +0 2.56701001 +0 H(HETATM 2856 2H HOH A2107) 10.68135490 +0 -15.54049242 +0 1.42454019 +0 O(HETATM 2857 O HOH A2108) 8.58914776 +0 -17.65106824 +0 -0.01512521 +0 H(HETATM 2858 1H HOH A2108) 8.80455602 +0 -17.82811462 +0 0.91511141 +0 H(HETATM 2859 2H HOH A2108) 8.77530817 +0 -16.68998819 +0 -0.10501196 +0 O(HETATM 2860 O HOH A2109) 12.57581457 +0 -12.92738046 +0 3.35756205 +0 H(HETATM 2861 1H HOH A2109) 13.41341271 +0 -12.65365344 +0 2.98326422 +0 H(HETATM 2862 2H HOH A2109) 11.89897111 +0 -12.38182448 +0 2.92813378 +0 O(HETATM 2863 O HOH A2110) 16.15139663 +0 -9.85554605 +0 -3.62183724 +0 H(HETATM 2864 1H HOH A2110) 16.52145517 +0 -9.10002223 +0 -3.16762468 +0 H(HETATM 2865 2H HOH A2110) 15.42363659 +0 -10.16882203 +0 -3.06035145 +0 O(HETATM 2866 O HOH A2111) 14.72893605 +0 -9.91075361 +0 0.46784956 +0 H(HETATM 2867 1H HOH A2111) 14.45318317 +0 -10.20654191 +0 -0.40515670 +0 H(HETATM 2868 2H HOH A2111) 14.99907050 +0 -8.99357036 +0 0.38438051 +0 O(HETATM 2869 O HOH A2112) 13.54196278 +0 -15.63563114 +0 -4.85211829 +0 H(HETATM 2870 1H HOH A2112) 14.50172982 +0 -15.66761834 +0 -4.73187537 +0 H(HETATM 2871 2H HOH A2112) 13.21655106 +0 -14.92109564 +0 -4.31083726 +0 O(HETATM 2872 O HOH A2113) 4.67898188 +0 -8.25209073 +0 2.24562906 +0 H(HETATM 2873 1H HOH A2113) 5.46597887 +0 -7.73213805 +0 2.44750638 +0 H(HETATM 2874 2H HOH A2113) 3.94370357 +0 -7.63541723 +0 2.22770653 +0 O(HETATM 2875 O HOH A2114) 5.34405665 +0 -9.47013820 +0 -0.04663309 +0 H(HETATM 2876 1H HOH A2114) 6.22604777 +0 -9.14921909 +0 -0.23183550 +0 H(HETATM 2877 2H HOH A2114) 5.05092107 +0 -9.04881339 +0 0.77406688 +0 O(HETATM 2878 O HOH A2115) 9.32168225 +0 -4.10152646 +0 1.88113307 +0 H(HETATM 2879 1H HOH A2115) 10.24409664 +0 -4.15948095 +0 1.62703571 +0 H(HETATM 2880 2H HOH A2115) 9.01264145 +0 -3.25784504 +0 1.51661102 +0 O(HETATM 2881 O HOH A2116) 1.41196797 +0 -1.73334859 +0 2.39914858 +0 H(HETATM 2882 1H HOH A2116) 2.13300983 +0 -2.16967145 +0 2.92132069 +0 H(HETATM 2883 2H HOH A2116) 0.93913637 +0 -1.21221293 +0 3.06689381 +0 O(HETATM 2884 O HOH A2117) 9.74188430 +0 1.45097104 +0 -9.13805097 +0 H(HETATM 2885 1H HOH A2117) 9.53531995 +0 0.58902822 +0 -8.73230149 +0 H(HETATM 2886 2H HOH A2117) 10.23045974 +0 1.94149137 +0 -8.46492794 +0 O(HETATM 2887 O HOH A2118) 5.35797253 +0 1.44517210 +0 -9.54569649 +0 H(HETATM 2888 1H HOH A2118) 5.49351333 +0 0.69418833 +0 -10.11450215 +0 H(HETATM 2889 2H HOH A2118) 6.17137601 +0 1.95272128 +0 -9.55992492 +0 O(HETATM 2890 O HOH A2119) 9.96955206 +0 4.98333068 +0 -19.37240390 +0 H(HETATM 2891 1H HOH A2119) 10.69370614 +0 4.49727189 +0 -19.81108566 +0 H(HETATM 2892 2H HOH A2119) 9.24994173 +0 4.37967286 +0 -19.24284479 +0 O(HETATM 2893 O HOH A2120) 13.08479639 +0 3.53009347 +0 -23.55698953 +0 H(HETATM 2894 1H HOH A2120) 13.63685240 +0 3.04363044 +0 -24.16592923 +0 H(HETATM 2895 2H HOH A2120) 13.31809858 +0 3.19393869 +0 -22.65091326 +0 O(HETATM 2896 O HOH A2121) 9.50368095 +0 4.75208497 +0 -26.72201762 +0 H(HETATM 2897 1H HOH A2121) 10.13423496 +0 4.44475246 +0 -27.38708094 +0 H(HETATM 2898 2H HOH A2121) 8.83049756 +0 5.20465711 +0 -27.25173535 +0 O(HETATM 2899 O HOH A2122) 8.52568835 +0 -7.83615817 +0 -27.88634568 +0 H(HETATM 2900 1H HOH A2122) 8.70131309 +0 -7.88784197 +0 -28.83091506 +0 H(HETATM 2901 2H HOH A2122) 8.30316058 +0 -6.91274245 +0 -27.70661270 +0 O(HETATM 2902 O HOH A2123) 5.45272312 +0 -8.71895548 +0 -29.10810698 +0 H(HETATM 2903 1H HOH A2123) 6.39888797 +0 -8.57746266 +0 -29.21999811 +0 H(HETATM 2904 2H HOH A2123) 5.03022883 +0 -8.15425852 +0 -29.77132702 +0 O(HETATM 2905 O HOH A2124) 11.42925588 +0 -12.03738533 +0 -23.48265493 +0 H(HETATM 2906 1H HOH A2124) 10.99417874 +0 -12.33083476 +0 -22.68436139 +0 H(HETATM 2907 2H HOH A2124) 11.21635253 +0 -11.09810681 +0 -23.57753618 +0 O(HETATM 2908 O HOH A2125) 13.47280244 +0 -7.92322748 +0 -22.17868899 +0 H(HETATM 2909 1H HOH A2125) 14.33732771 +0 -7.53270630 +0 -22.00302732 +0 H(HETATM 2910 2H HOH A2125) 13.32425879 +0 -8.48492169 +0 -21.40259294 +0 O(HETATM 2911 O HOH A2126) 17.30176138 +0 0.13814272 +0 -20.38771711 +0 H(HETATM 2912 1H HOH A2126) 17.24026359 +0 0.42854856 +0 -19.46733356 +0 H(HETATM 2913 2H HOH A2126) 16.38549402 +0 -0.00267011 +0 -20.66217064 +0 O(HETATM 2914 O HOH A2127) 13.08038065 +0 6.23893084 +0 -21.13877742 +0 H(HETATM 2915 1H HOH A2127) 12.75363752 +0 5.31462268 +0 -21.02190467 +0 H(HETATM 2916 2H HOH A2127) 12.32333791 +0 6.78082412 +0 -20.91265331 +0 O(HETATM 2917 O HOH A2128) 18.87965759 +0 -5.26795771 +0 -14.63138392 +0 H(HETATM 2918 1H HOH A2128) 19.34977182 +0 -5.79979651 +0 -13.98117402 +0 H(HETATM 2919 2H HOH A2128) 18.12737692 +0 -4.91307271 +0 -14.15044048 +0 O(HETATM 2920 O HOH A2129) 9.37122511 +0 4.41153159 +0 -11.97144061 +0 H(HETATM 2921 1H HOH A2129) 9.91840662 +0 3.60458885 +0 -11.99822871 +0 H(HETATM 2922 2H HOH A2129) 8.88160980 +0 4.30874588 +0 -11.14786887 +0 O(HETATM 2923 O HOH A2130) 14.42970923 +0 -4.05138976 +0 -5.91198229 +0 H(HETATM 2924 1H HOH A2130) 14.38640355 +0 -4.01431394 +0 -4.95411075 +0 H(HETATM 2925 2H HOH A2130) 14.21048188 +0 -3.16347915 +0 -6.20700369 +0 O(HETATM 2926 O HOH A2131) 15.69812617 +0 -7.40273432 +0 0.44501086 +0 H(HETATM 2927 1H HOH A2131) 15.76426548 +0 -6.96816860 +0 1.30100465 +0 H(HETATM 2928 2H HOH A2131) 15.10911081 +0 -6.84074563 +0 -0.08440217 +0 O(HETATM 2929 O HOH A2132) 7.02491518 +0 3.28641608 +0 1.34942635 +0 H(HETATM 2930 1H HOH A2132) 6.95074658 +0 3.53548232 +0 0.41911956 +0 H(HETATM 2931 2H HOH A2132) 7.84116112 +0 3.72294413 +0 1.64445798 +0 O(HETATM 2932 O HOH A2133) -2.41713509 +0 0.19071557 +0 -2.49898342 +0 H(HETATM 2933 1H HOH A2133) -1.48024451 +0 0.40335192 +0 -2.34468945 +0 H(HETATM 2934 2H HOH A2133) -2.80358358 +0 0.23985464 +0 -1.62009327 +0 O(HETATM 2935 O HOH A2134) 3.02428148 +1 -6.65335343 +1 -18.82137667 +1 H(HETATM 2936 1H HOH A2134) 3.46592774 +1 -7.35408272 +1 -18.31212623 +1 H(HETATM 2937 2H HOH A2134) 3.40100822 +1 -5.83217309 +1 -18.50544928 +1 "[***]1157:A.C6" "[***]1157:A.N1" User-supplied pi bonds ********************** * * * JOB ENDED NORMALLY * * * ********************** TOTAL JOB TIME: 56070.10 SECONDS == MOPAC DONE ==